cpid	name_competitor	pubchemid	cmpdsynonym	mw	mf	polararea	complexity	xlogp	heavycnt	hbonddonor	hbondacc	rotbonds	inchi	isosmiles	canonicalsmiles	inchikey	iupacname
LDCM0001	Panyain_cp1	135205943	SCHEMBL20360518; BDBM445088; US10669234, Example 27; (S)-2-(4-(1H-pyrrolo [2,3-b]pyridin-3- yl)indoline-1- carbonyl)pyrrolidine- 1-carbonitrile	357.4	C21H19N5O	76	629	3.2	27	1	4	2	InChI=1S/C21H19N5O/c22-13-25-10-3-7-19(25)21(27)26-11-8-15-14(4-1-6-18(15)26)17-12-24-20-16(17)5-2-9-23-20/h1-2,4-6,9,12,19H,3,7-8,10-11H2,(H,23,24)/t19-/m0/s1	C1C[C@H](N(C1)C#N)C(=O)N2CCC3=C(C=CC=C32)C4=CNC5=C4C=CC=N5	C1CC(N(C1)C#N)C(=O)N2CCC3=C(C=CC=C32)C4=CNC5=C4C=CC=N5	PJYJFXAKGZEDNG-IBGZPJMESA-N	(2S)-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2,3-dihydroindole-1-carbonyl]pyrrolidine-1-carbonitrile
LDCM0002	Ward_cp1	170709675	.	290.74	C15H15ClN2O2	51.1	356	2.1	20	1	2	5	InChI=1S/C15H15ClN2O2/c1-18-10-12(14(19)8-16)7-13(18)15(20)17-9-11-5-3-2-4-6-11/h2-7,10H,8-9H2,1H3,(H,17,20)	CN1C=C(C=C1C(=O)NCC2=CC=CC=C2)C(=O)CCl	CN1C=C(C=C1C(=O)NCC2=CC=CC=C2)C(=O)CCl	SBIVFYBGMVTPHM-UHFFFAOYSA-N	N-benzyl-4-(2-chloroacetyl)-1-methylpyrrole-2-carboxamide
LDCM0003	Sulforaphane	5350	sulforaphane; 4478-93-7; DL-Sulforaphane; 1-Isothiocyanato-4-(methylsulfinyl)butane; D,L-Sulforaphane; Sulforafan; 1-Isothiocyanato-4-(methylsulfinyl)-butane; 1-isothiocyanato-4-methylsulfinylbutane; Butane, 1-isothiocyanato-4-(methylsulfinyl)-; 4-Methylsulfinylbutyl isothiocyanate; (+/-)-sulforaphane; CHEBI:47807; 41684WL1GL; Butane, 1-isothiocyanato-4-[(S)-methylsulfinyl]-; 4-(Methylsulfinyl)Butyl Isothiocyanate; NSC-749790; sulforaphane, (R)-; (S)-1-Isothiocyanato-4-(methylsulfinyl)butane; R,S-Sulforaphane; SFN; Sulphoraphane; CCRIS 7221; Sulforathane; UNII-41684WL1GL; S)-Sulforaphane; Sulforaphane Racemate; CHEMBL48802; SCHEMBL105202; GTPL6569; DTXSID8036732; SULFORAPHANE, (+/-)-; HMS3746M17; BCP31547; 4-Methylsulfinyl butyl isothiocyanate; BDBM50073654; MFCD00198068; MFCD09039283; NSC749790; s5771; 4-isothiocyanatobutyl methyl sulfoxide; AKOS006282481; CS-7809; NSC 749790; 4-(Methylsulfinyl)-butyl isothiocyanate; SULFORAPHANE (+/-)-FORM [MI]; 1-isothiocyanato-4-methylsulfinyl-butane; AC-34421; HY-13755; 1-Isothiocyanato-4-(methylsulfinyl)butane #; U0142; F17072; A912495; Q424489; DL-Sulforaphane, >=90% (HPLC), synthetic, liquid; Q-100160; BRD-A58955223-001-02-0; ISOTHIOCYANIC ACID, 4-(METHYLSULFINYL)BUTYL ESTER; Z1198151975; (R)-Sulforaphane;(-)-Sulforaphane;4-Methylsulfinylbutyl isothiocyanate	177.3	C6H11NOS2	80.7	152	1.4	10	0	4	5	InChI=1S/C6H11NOS2/c1-10(8)5-3-2-4-7-6-9/h2-5H2,1H3	CS(=O)CCCCN=C=S	CS(=O)CCCCN=C=S	SUVMJBTUFCVSAD-UHFFFAOYSA-N	1-isothiocyanato-4-methylsulfinylbutane
LDCM0004	DMSO	679	dimethyl sulfoxide; DMSO; 67-68-5; Methyl sulfoxide; Methylsulfinylmethane; Dimethylsulfoxide; Dimethyl sulphoxide; Methane, sulfinylbis-; Demasorb; Demsodrox; Demavet; Domoso; Infiltrina; Somipront; Dimexide; Dolicur; Dromisol; Durasorb; Syntexan; Deltan; Demeso; Hyadur; sulfinylbismethane; Dimethyl sulfur oxide; Doligur; Dipirartril-tropico; Gamasol 90; Sulfinylbis(methane); Dermasorb; Kemsol; Dimethylsulphoxide; Rimso-50; Topsym; Dimethylsulfoxid; Dimethylsulfoxyde; SQ 9453; NSC-763; Rimso 50; Dimetil sulfoxido; Sulfinylbis-methane; Dimethyli sulfoxidum; Dimexidum; Caswell No. 381; (methylsulfinyl)methane; Dimetilsolfossido; (CH3)2SO; DMS-90; Sulfoxide, dimethyl; methanesulfinylmethane; A 10846; CCRIS 943; M 176; DMS 70; DMS 90; DMS-70; DTXSID2021735; NSC 763; Methyl sulphoxide; dimethyl-sulfoxide; S(O)Me2; EPA Pesticide Chemical Code 000177; SQ-9453; NSC763; YOW8V9698H; CHEBI:28262; AI3-26477; (methanesulfinyl)methane; MFCD00002089; (DMSO); C2H6OS; CHEMBL504; Methane, 1,1'-sulfinylbis-; DTXCID401735; Dimethyl sulfoxide, HPLC Grade; METHYL-13C SULFOXIDE; Dimethylsulphinyl; Dimethyl sulfoxide, 99%; 103759-08-6; Topsym (rescinded); Rimso-5; Domoso (Veterinary); DIMETHYL SULFOXIDE (II); DIMETHYL SULFOXIDE [II]; methylsulfoxide; DIMETHYL SULFOXIDE (MART.); DIMETHYL SULFOXIDE [MART.]; DIMETHYL SULFOXIDE (USP-RS); DIMETHYL SULFOXIDE [USP-RS]; sulfinyldimethane; Dimetilsolfossido [DCIT]; Dimethyl sulpoxide; DIMETHYL SULFOXIDE (EP MONOGRAPH); DIMETHYL SULFOXIDE [EP MONOGRAPH]; DIMETHYL SULFOXIDE (USP MONOGRAPH); DIMETHYL SULFOXIDE [USP MONOGRAPH]; HSDB 80; Sulphoxide, Dimethyl; Dimethylsulfoxyde [INN-French]; Dimetil sulfoxido [INN-Spanish]; Dimethyli sulfoxidum [INN-Latin]; DMSO, sterile filtered; EINECS 200-664-3; UNII-YOW8V9698H; dimethysulfoxide; dimethlysulfoxide; dimethvlsulfoxide; dimethyisulfoxide; dimethylsulphoxid; Domoso Solution; dimethy sulfoxide; dimetyl sulfoxide; Domoso Gel; dimethyisulphoxide; dimethyl sulfoxyde; dimethyl-sulfoxyde; dimethyl suiphoxide; dimethyl-sulphoxide; dirnethyl sulfoxide; Dimethyl sulfoxixde; methylsulfmylmethane; DMSO (anydrous); dimethyl sulf oxide; Dimethylis sulfoxidum; DIMEHTYLSULFOXYDE; Dimethyl sulfoxide [USAN:USP:INN:BAN]; Methyl sulfoxide (8CI); Rimso-50 (TN); dimethyl sulfoxide (dmso); DMSO (Sterile-filtered); DMSO [INCI]; DMSO (Dimethyl sulfoxide); EC 200-664-3; H3C-SO-CH3; BIDD:PXR0182; Dimethyl sulfoxide, >=99%; Dimethyl sulfoxide, anhydrous; Dimethyl sulfoxide, for HPLC; Methane, sulfinylbis- (9CI); WLN: OS1&1; DIMETHYL SULFOXIDE [MI]; DIMETHYL SULFOXIDE [INN]; DIMETHYL SULFOXIDE [JAN]; Dimethyl sulfoxide, >=99.5%; Dimethyl sulfoxide, PCR Reagent; DIMETHYL SULFOXIDE [HSDB]; DIMETHYL SULFOXIDE [USAN]; Dimethyl sulfoxide, ACS reagent; G04BX13; M02AX03; Methyl sulfoxide, >=99%, FG; Dimethyl sulfoxide, p.a., 99%; DIMETHYL SULFOXIDE [VANDF]; Dimethyl sulfoxide, LR, >=99%; Pharmakon1600-01506122; AMY14894; CS-B1637; Dimethyl sulfoxide (JAN/USP/INN); DIMETHYL SULFOXIDE [WHO-DD]; HY-Y0320; METHYLSULFINYLMETHANE [FHFI]; Tox21_300957; BDBM50026472; HB3262; HB8591; NSC760436; STL264194; Dimethyl sulfoxide, AR, >=99.5%; AKOS000121107; CCG-213615; DB01093; DIMETHYL SULFOXIDE [GREEN BOOK]; Dimethyl sulfoxide, analytical standard; NSC-760436; CAS-67-68-5; DIMETHYL SULFOXIDE [ORANGE BOOK]; MRF-0000764; USEPA/OPP Pesticide Code: 000177; (methanesulfinyl)methanedimethyl sulfoxide; Dimethyl sulfoxide, for molecular biology; Dimethyl sulfoxide; AIF; CE0; MS2Dec; NCGC00163958-01; NCGC00163958-02; NCGC00163958-03; NCGC00254859-01; 8070-53-9; Dimethyl sulfoxide, anhydrous, >=99.9%; Dimethyl sulfoxide, HPLC grade, 99.9%; Dimethyl Sulfoxide [for Spectrophotometry]; Dimethyl sulfoxide, for HPLC, >=99.5%; Dimethyl sulfoxide, for HPLC, >=99.7%; DS-015031; D0798; D1159; D5293; Dimethyl sulfoxide solution 50 wt.% in H2O; Dimethyl sulfoxide, ACS reagent, >=99.9%; Dimethyl sulfoxide, AldraSORB(TM), 99.8%; InChI=1/C2H6OS/c1-4(2)3/h1-2H; NS00001957; EN300-24544; D01043; Dimethyl sulfoxide, >=99.6%, ReagentPlus(R); Dimethyl sulfoxide, ReagentPlus(R), >=99.5%; AB01563146_01; Dimethyl Sulfoxide (DMSO), cell culture reagent; Dimethyl sulfoxide, p.a., ACS reagent, 99.9%; Dimethyl sulfoxide, SAJ first grade, >=99.0%; Dimethyl sulfoxide, JIS special grade, >=99.0%; Dimethyl sulfoxide, Vetec(TM) reagent grade, 99%; Q407927; Dimethyl sulfoxide, UV HPLC spectroscopic, 99.9%; Dimethyl sulfoxide solution 50 wt.% in distilled H2O; Dimethyl sulfoxide, anhydrous, ZerO2(TM), >=99.9%; Dimethyl sulfoxide, meets EP, USP testing specifications; Z199055774; Dimethyl sulfoxide, ACS spectrophotometric grade, >=99.9%; Dimethyl sulfoxide, puriss. p.a., dried, <=0.02% water; 4H-1,3-oxazine,2-cyclopentyl-5,6-dihydro-4,4,7-trimethyl-; Dimethyl sulfoxide, >=99.5% (GC), plant cell culture tested; Dimethyl sulfoxide, BioUltra, for molecular biology, >=99.5% (GC); Dimethyl sulfoxide, European Pharmacopoeia (EP) Reference Standard; Dimethyl sulfoxide, puriss. p.a., ACS reagent, >=99.9% (GC); Dimethyl sulfoxide, Vetec(TM) reagent grade, anhydrous, >=99.7%; Dimethyl sulfoxide, >=99.0%, suitable for absorption spectrum analysis; Dimethyl sulfoxide, United States Pharmacopeia (USP) Reference Standard; Dimethyl sulfoxide, for inorganic trace analysis, >=99.99995% (metals basis); Dimethyl sulfoxide, meets EP testing specifications, meets USP testing specifications; Dimethyl sulfoxide, Hybri-Max(TM), sterile-filtered, BioReagent, suitable for hybridoma, >=99.7%; Dimethyl sulfoxide, puriss., absolute, over molecular sieve (H2O <=0.005%), >=99.5% (GC); Dimethyl sulfoxide, sterile-filtered, BioPerformance Certified, meets EP, USP testing specifications, suitable for hybridoma	78.14	C2H6OS	36.3	29	-0.6	4	0	2	0	InChI=1S/C2H6OS/c1-4(2)3/h1-2H3	CS(=O)C	CS(=O)C	IAZDPXIOMUYVGZ-UHFFFAOYSA-N	methylsulfinylmethane
LDCM0005	Myr-CoA	11966124	myristoyl-CoA; tetradecanoyl-CoA; Myristoyl coenzyme A; S-Tetradecanoyl-coenzyme A; n-C14:0-coenzyme A; 3130-72-1; n-C14:0-CoA; N-Myristoyl coenzyme A; 3'-phosphoadenosine 5'-(3-{(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[(3-oxo-3-{[2-(tetradecanoylsulfanyl)ethyl]amino}propyl)amino]butyl} dihydrogen diphosphate); Coenzyme A, S-tetradecanoate; Myristyl-CoA; MyristoylcoenzymeA; Myristoylcoenzyme A; MYA; YNC; Coenzyme A, S-myristate; SCHEMBL187713; CHEBI:15532; LMFA07050352; DB02180; MYRISTOYL COENZYME A MONOHYDRATE*; HY-126833; CS-0107702; NS00073565; C02593; S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] tetradecanethioate; S-{(3S,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} tetradecanethioate (non-preferred name)	977.9	C35H62N7O17P3S	389	1590	0.6	63	9	22	32	InChI=1S/C35H62N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-26(44)63-19-18-37-25(43)16-17-38-33(47)30(46)35(2,3)21-56-62(53,54)59-61(51,52)55-20-24-29(58-60(48,49)50)28(45)34(57-24)42-23-41-27-31(36)39-22-40-32(27)42/h22-24,28-30,34,45-46H,4-21H2,1-3H3,(H,37,43)(H,38,47)(H,51,52)(H,53,54)(H2,36,39,40)(H2,48,49,50)/t24-,28-,29-,30+,34-/m1/s1	CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O	CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O	DUAFKXOFBZQTQE-QSGBVPJFSA-N	S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] tetradecanethioate
LDCM0006	Micheliolide	442279	MICHELIOLIDE; 68370-47-8; CHEBI:6922; (3aS,9R,9aS,9bS)-9-hydroxy-6,9-dimethyl-3-methylidene-4,5,7,8,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-2-one; Mecheliolide; (3aS,9R,9aS,9bS)-9-hydroxy-6,9-dimethyl-3-methylene-3a,4,5,7,8,9,9a,9b-octahydroazuleno[4,5-b]furan-2(3H)-one; C15H20O3; (3aS)-3abeta,4,5,7,8,9,9abeta,9balpha-Octahydro-9beta-hydroxy-6,9-dimethyl-3-methyleneazuleno[4,5-b]furan-2(3H)-one; (3aS,9R,9aS,9bS,Z)-9-hydroxy-6,9-dimethyl-3-methylene-3,3a,4,5,7,8,9,9a-octahydroazuleno[4,5-b]furan-2(9bH)-one; C09507; CHEMBL449579; (3aS,9R,9aS,9bS)-9-hydroxy-6,9-dimethyl-3-methylene-4,5,7,8,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-2-one; SCHEMBL18334099; DTXSID20331787; HMS3886D22; (3aS,9R,9aS,9bS)-9-hydroxy-6,9-dimethyl-3-methylidene-2H,3H,3aH,4H,5H,7H,8H,9H,9aH,9bH-azuleno[4,5-b]furan-2-one; BCP28251; HY-N0847; BDBM50455476; s9309; AKOS030526879; CCG-266942; AC-33982; AS-78222; A867060; Q27107361; (3aS)-3ass,4,5,7,8,9,9ass,9ba-Octahydro-9ss-hydroxy-6,9-dimethyl-3-methyleneazuleno[4,5-b]furan-2(3H)-one; [3aS-(3aalpha,9alpha,9aalpha,9bbeta)]-3a,4,5,7,8,9,9a,9b-Octahydro-9-hydroxy-6,9-dimethyl-3-methylene-azuleno[4,5-b]furan-2(3H)-one	248.32	C15H20O3	46.5	462	1.3	18	1	3	0	InChI=1S/C15H20O3/c1-8-4-5-11-9(2)14(16)18-13(11)12-10(8)6-7-15(12,3)17/h11-13,17H,2,4-7H2,1,3H3/t11-,12-,13-,15+/m0/s1	CC1=C2CC[C@@]([C@@H]2[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)(C)O	CC1=C2CCC(C2C3C(CC1)C(=C)C(=O)O3)(C)O	RDJAFOWISVMOJY-PWNZVWSESA-N	(3aS,9R,9aS,9bS)-9-hydroxy-6,9-dimethyl-3-methylidene-4,5,7,8,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-2-one
LDCM0007	Pargyline	4688	pargyline; 555-57-7; N-Methyl-N-propargylbenzylamine; Pargylamine; Paragyline; N-benzyl-N-methylprop-2-yn-1-amine; Eudatin; Supirdyl; Pargylin; Eutonyl; N-Methyl-N-2-propynylbenzylamine; Benzyl-methyl-2-propinylamin; Benzenemethanamine, N-methyl-N-2-propynyl-; Benzylmethylpropargylamine; N-Benzyl-N-methyl-2-propynylamine; N-Methyl-N-benzylpropynylamine; Eutron; Methylbenzylpropynylamine; MO 911; N-Benzyl-N-methyl-2-propyn-1-amine; BENZYLAMINE, N-METHYL-N-2-PROPYNYL-; Pargyline (INN); Pargyline [INN]; A 19120; benzyl(methyl)(prop-2-yn-1-yl)amine; CHEMBL673; 9MV14S8G3E; CHEBI:7930; N-methyl-N-(phenylmethyl)prop-2-yn-1-amine; Benzyl-methyl-prop-2-ynyl-amine; Pargilina; Pargylinum; Pargyline [INN:BAN]; Pargylinum [INN-Latin]; Pargilina [INN-Spanish]; Benzyl-methyl-2-propinylamin [Czech]; CCRIS 6740; Benzylmethylpropynylamine; NCGC00015841-02; CAS-306-07-0; EINECS 209-101-6; Lopac-P-8013; BRN 1938132; UNII-9MV14S8G3E; AI3-62058; Eutonyl (Salt/Mix); Spectrum_000641; PARGYLINE [MI]; Prestwick0_000183; Prestwick1_000183; Prestwick2_000183; Prestwick3_000183; Spectrum2_001039; Spectrum3_000540; Spectrum4_000469; Spectrum5_001030; PARGYLINE [VANDF]; CBChromo1_000308; PARGYLINE [WHO-DD]; SCHEMBL2045; Lopac0_001022; BSPBio_000105; BSPBio_002159; KBioGR_000918; KBioSS_001121; 2-12-00-00548 (Beilstein Handbook Reference); DivK1c_000053; SPBio_001257; SPBio_002026; BPBio1_000117; GTPL7262; DTXSID3023423; DPWPWRLQFGFJFI-UHFFFAOYSA-; HY-A0091A; KBio1_000053; KBio2_001121; KBio2_003689; KBio2_006257; KBio3_001659; NINDS_000053; HMS3604I04; N-benzyl-N-methyl-2-propinylamine; Pargyline hydrochloride (Salt/Mix); BDBM50172756; MFCD00008576; 2-Propynylamine, N-benzyl-N-methyl-; N-Methyl-N-(2-propynyl)benzylamine-; AKOS009027469; N-benzyl-N-methyl-prop-2-yn-1-amine; N-Methyl-N-propargylbenzylamine, 97%; CCG-205102; CS-4685; DB01626; MCULE-3540521287; SDCCGSBI-0050995.P005; IDI1_000053; N-Benzyl-N-methyl-2-propyn-1-amine #; N-Methyl-N-(2-propyn-1-yl)benzylamine; NCGC00015841-01; NCGC00015841-03; NCGC00015841-04; NCGC00015841-05; NCGC00015841-06; NCGC00015841-07; NCGC00015841-18; NCGC00024240-03; AS-75650; SBI-0050995.P004; 1ST169387; DB-072009; AB00053516; M2618; NS00000467; C07414; D08453; EN300-120295; T72610; AB00053516_13; N-benzyl-N-methylprop-2-yn-1-amine,hydrochloride; Q781329; W-105554; BRD-K83597974-003-05-7; Z103710848; InChI=1/C11H13N/c1-3-9-12(2)10-11-7-5-4-6-8-11/h1,4-8H,9-10H2,2H3	159.23	C11H13N	3.2	159	2.1	12	0	1	3	InChI=1S/C11H13N/c1-3-9-12(2)10-11-7-5-4-6-8-11/h1,4-8H,9-10H2,2H3	CN(CC#C)CC1=CC=CC=C1	CN(CC#C)CC1=CC=CC=C1	DPWPWRLQFGFJFI-UHFFFAOYSA-N	N-benzyl-N-methylprop-2-yn-1-amine
LDCM0008	Tranylcypromine	441360	SCHEMBL2755938; AB01566946_01	133.19	C9H11N	26	116	1.5	10	1	1	1	InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2/t8?,9-/m0/s1	C1[C@@H](C1C2=CC=CC=C2)N	C1C(C1N)C2=CC=CC=C2	AELCINSCMGFISI-GKAPJAKFSA-N	(1S)-2-phenylcyclopropan-1-amine
LDCM0013	ATP	5957	Adenosine triphosphate; 56-65-5; Adenosine 5'-triphosphate; ATP; Triphosphaden; adenosine-5'-triphosphate; Myotriphos; Striadyne; Triadenyl; Atriphos; Atipi; Glucobasin; Adephos; Adetol; Adynol; Adenosine 5'-(tetrahydrogen triphosphate); 5'-Atp; Triphosaden; Adenylpyrophosphoric acid; Triphosphoric acid adenosine ester; Adenosine 5'-triphosphoric acid; ATP (nucleotide); Cardenosine; Fosfobion; Adenosintriphosphorsaeure; Ara-ATP; adenosine-triphosphate; Ado-5'-P-P-P; H4atp; 9-beta-D-Arabinofuranosyladenine 5'-triphosphate; CHEBI:15422; adenylpyrophosphate; Adenosine, 5'-(tetrahydrogen triphosphate); adenosine 5' triphosphate; CHEMBL14249; 8L70Q75FXE; ((2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl tetrahydrogen triphosphate; DTXSID6022559; [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate; NCGC00163309-01; 126827-79-0; 3-Methylbenzo[d]thiazol-3-iuM chloride; ({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid; 126339-06-8; ATP disodium salt hydrate; Phosphobion; 51963-61-2; C10H16N5O13P3; 11016-17-4; 119439-06-4; EINECS 200-283-2; UNII-8L70Q75FXE; MFCD00065467; adenosine-5'-triphosphoric acid; 1kxp; 1mau; 1maw; 1vjc; 1vjd; 1xsc; 1yid; 2cbz; 2fgh; Adenylpyrophosphorate; Triphosadenine (DCF); 1gz3; 1gz4; 1r0x; 1y8p; BDBM2; 3h-adenosine triphosphate; -beta-D-ribofuranosyl]-; Adenosine triphosphate/ATP; bmse000006; bmse000854; bmse000993; Epitope ID:135612; Adenosine 5'-triphosphorate; SCHEMBL8979; DTXCID302559; GTPL1713; 1b38; 1b39; 1m83; 1r10; 1t44; Bio1_000406; Bio1_000895; Bio1_001384; ADENOSINE TRIPHOSPHATE [MI]; AMY22292; HY-B2176; Tox21_112044; ADENOSINE TRIPHOSPHATE [INCI]; BDBM50366480; s5260; ADENOSINE TRIPHOSPHATE [VANDF]; ADENOSINE TRIPHOSPHATE [MART.]; AKOS022179934; ADENOSINE TRIPHOSPHATE [WHO-DD]; CS-7674; DB00171; CAS-56-65-5; Adenosine 5'-triphosphate; Triphosphaden; [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate; 5'-(tetrahydrogen triphosphate) Adenosine; AC-32151; AS-19204; DB-022415; NS00074063; C00002; D08646; D70159; Q80863; EN300-1073142; A831137; W-105506; A9788C43-4BC5-46E2-8560-41C5FA7D3AA3; 9H-purin-6-amine, 9-[5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]; [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate; [(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate;((2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl tetrahydrogen triphosphate; [[[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyphosphonic acid; 9H-Purin-6-amine, 9-[5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-.beta.-D-ribofuranosyl]-	507.18	C10H16N5O13P3	279	800	-5.7	31	7	17	8	InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1	C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N	C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N	ZKHQWZAMYRWXGA-KQYNXXCUSA-N	[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
LDCM0014	Panhematin	455658	hemin; Panhematin; Chlorohemin; 16009-13-5; hemin chloride; Ferriprotoporphyrin chloride; HEMIN [VANDF]; HEMIN [JAN]; HEMIN [WHO-DD]; HEMIN [MI]; 743LRP9S7N; BTIJJDXEELBZFS-UHFFFAOYSA-K; AKOS025146500; AKOS032949889; NSC-122707; Ferrate(2-), chloro[7,12-diethenyl-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropanoato(4-)-.kappa.N21,.kappa.N22,.kappa.N23,.kappa.N24]-, dihydrogen, (SP-5-13)-; H0008; Q425165; Hemin chloride is known as an oxidized form of heme.; 3-[18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoic acid;iron(3+);chloride; Ferrate(2-), chloro(7,12-diethenyl-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropanoato(4-)-N21,N22,N23,N24)-, dihydrogen; iron(3+) 4,20-bis(2-carboxyethyl)-9,14-diethenyl-5,10,15,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1(3),?.1?,(1)(1).1(1)(3),(1)?]tetracosa-1,3(24),6,8(23),9,11,13(22),14,16,18(21),19-undecaene-4,5-diide chloride	651.9	C34H32ClFeN4O4	102	1010	.	44	2	9	8	InChI=1S/C34H34N4O4.ClH.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);1H;/q;;+3/p-3	CC1=C(C2=CC3=C(C(=C([N-]3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1[N-]2)C)C=C)C)C=C)C)CCC(=O)O)CCC(=O)O.[Cl-].[Fe+3]	CC1=C(C2=CC3=C(C(=C([N-]3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1[N-]2)C)C=C)C)C=C)C)CCC(=O)O)CCC(=O)O.[Cl-].[Fe+3]	BTIJJDXEELBZFS-UHFFFAOYSA-K	3-[18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoic acid;iron(3+);chloride
LDCM0015	HNE	5283344	4-Hydroxynonenal; 4-Hydroxy-2-nonenal; 75899-68-2; 4-HNE; 4-hydroxynon-2-enal; (E)-4-hydroxynon-2-enal; trans-4-Hydroxy-2-nonenal; 4-Hydroxy-2,3-nonenal; 128946-65-6; 29343-52-0; 2-Nonenal, 4-hydroxy-, (2E)-; (E)-4-hydroxy-2-nonenal; (2E)-4-Hydroxy-2-nonenal; 4-hydroxy-2E-nonenal; HNE; 2-NONENAL, 4-HYDROXY-; (+/-)4-HYDROXYNON-2-ENAL; (2E)-4-hydroxynon-2-enal; CHEMBL454280; K1CVM13F96; DTXSID4040395; CHEBI:58968; NCGC00161254-02; CCRIS 1781; CCRIS 9028; (E)-4-Hydroxynonenal; 4HNE; CHEBI:32585; UNII-K1CVM13F96; CCRIS 6927; 4-Hydroxynonenal?; 4-hydroxy-2-trans-nonenal; HNE [MI]; SCHEMBL3920; Trans-4-hydroxynonan-2-enal; BML1-C09; GTPL6274; DTXCID2020395; HMS3648N14; EX-A5735; (.+/-.)-4-Hydroxy-2E-nonenal; Tox21_113063; AC8369; BDBM50242402; HSCI1_000340; LMFA06000051; 4-HYDROXY-2-NONENAL, TRANS-; AKOS006274954; SMP2_000061; NCGC00161254-01; DA-48643; MS-22883; PD021010; CAS-75899-68-2; HY-113466; CS-0061995; NS00122691; C21642; M01859; Q229982; SR-01000946534; J-525023; SR-01000946534-1; BRD-A15914070-001-01-5	156.22	C9H16O2	37.3	119	1.7	11	1	2	6	InChI=1S/C9H16O2/c1-2-3-4-6-9(11)7-5-8-10/h5,7-9,11H,2-4,6H2,1H3/b7-5+	CCCCCC(/C=C/C=O)O	CCCCCC(C=CC=O)O	JVJFIQYAHPMBBX-FNORWQNLSA-N	(E)-4-hydroxynon-2-enal
LDCM0016	Ranjitkar_cp1	66557867	1157857-36-7; N-{3-[(3-{4-[(4-Methoxyphenyl)amino]-1,3,5-Triazin-2-Yl}pyridin-2-Yl)amino]-4-Methylphenyl}-3-(Trifluoromethyl)benzamide; Benzamide, N-[3-[[3-[4-[(4-methoxyphenyl)amino]-1,3,5-triazin-2-yl]-2-pyridinyl]amino]-4-methylphenyl]-3-(trifluoromethyl)-; DSA7; DSA-7; GLXC-01966; AKOS040748281; Q27460568; G6I; N-[3-[[3-[4-(4-methoxyanilino)-1,3,5-triazin-2-yl]pyridin-2-yl]amino]-4-methylphenyl]-3-(trifluoromethyl)benzamide; N-[3-[[3-[4-[(4-Methoxyphenyl)amino]-1,3,5-triazin-2-yl]-2-pyridinyl]amino]-4-methylphenyl]-3-(trifluoromethyl)-benzamide	571.6	C30H24F3N7O2	114	859	6.4	42	3	11	8	InChI=1S/C30H24F3N7O2/c1-18-8-9-22(37-28(41)19-5-3-6-20(15-19)30(31,32)33)16-25(18)39-26-24(7-4-14-34-26)27-35-17-36-29(40-27)38-21-10-12-23(42-2)13-11-21/h3-17H,1-2H3,(H,34,39)(H,37,41)(H,35,36,38,40)	CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(F)(F)F)NC3=C(C=CC=N3)C4=NC(=NC=N4)NC5=CC=C(C=C5)OC	CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(F)(F)F)NC3=C(C=CC=N3)C4=NC(=NC=N4)NC5=CC=C(C=C5)OC	FLZNVZVIUIDCOF-UHFFFAOYSA-N	N-[3-[[3-[4-(4-methoxyanilino)-1,3,5-triazin-2-yl]pyridin-2-yl]amino]-4-methylphenyl]-3-(trifluoromethyl)benzamide
LDCM0017	DFG-out-2	71463554	Kinase inhibitor, 5; BDBM93207	557.6	C31H26F3N5O2	102	839	6.2	41	3	9	8	InChI=1S/C31H26F3N5O2/c1-19-5-7-25(37-29(40)21-3-2-4-23(16-21)31(32,33)34)17-27(19)20-6-12-28-22(15-20)18-36-30(39-28)38-24-8-10-26(11-9-24)41-14-13-35/h2-12,15-18H,13-14,35H2,1H3,(H,37,40)(H,36,38,39)	CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(F)(F)F)C3=CC4=CN=C(N=C4C=C3)NC5=CC=C(C=C5)OCCN	CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(F)(F)F)C3=CC4=CN=C(N=C4C=C3)NC5=CC=C(C=C5)OCCN	PVCFUSCWDDWVIQ-UHFFFAOYSA-N	N-[3-[2-[4-(2-aminoethoxy)anilino]quinazolin-6-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide
LDCM0018	Orlistat	3034010	orlistat; 96829-58-2; Tetrahydrolipstatin; Xenical; Alli; Orlipastat; (-)-Tetrahydrolipstatin; Orlipastatum [INN-Latin]; Ro-18-0647; Ro 18-0647/002; Orlistat (Alli, Xenical); (2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]tridecan-2-yl (2S)-2-formamido-4-methylpentanoate; Orlistat (Standard); N-Formyl-L-leucine (1S)-1-[[(2S,3S)-3-hexyl-4-oxo-2-oxetanyl]methyl]dodecyl ester; [(2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]tridecan-2-yl] (2S)-2-formamido-4-methylpentanoate; L-Leucine, N-formyl-, (1S)-1-[[(2S,3S)-3-hexyl-4-oxo-2-oxetanyl]methyl]dodecyl ester; MLS002207022; N-Formyl-L-leucine, ester with (3S,4S)-3-hexyl-4-((2S)-2-hydroxytridecyl)-2-oxetanone; CHEMBL175247; DTXSID8023395; MFCD05662360; 95M8R751W8; NSC-758881; Orlipastatum; SMR000466339; THLP; Ro-180647002; Ro-180647-002; Ro-18-0647/002; (S)-1-((2S,3S)-3-hexyl-4-oxooxetan-2-yl)tridecan-2-yl formyl-L-leucinate; L-Leucine, N-formyl-, (1S)-1-(((2S,3S)-3-hexyl-4-oxo-2-oxetanyl)methyl)dodecyl ester; tetrahydrolipastatin; C29H53NO5; DTXCID40820067; (S)-((S)-1-((2S,3S)-3-hexyl-4-oxooxetan-2-yl)tridecan-2-yl) 2-formamido-4-methylpentanoate; Xenical (TN); CAS-96829-58-2; SR-01000759417; orlistatum; Orlistat [USAN:INN:BAN]; UNII-95M8R751W8; HSDB 7556; N-formyl-L-leucine (1S)-1-{[(2S,3S)-3-hexyl-4-oxo-2-oxetanyl]methyl}dodecyl ester; NCGC00095128-01; (-)-Tetrahydrolipstatin; Orlistat; Ro 18-0647/002; Tetrahydrolipstatin; Xenical; L-Leucine, N-formyl-, 1-[(3-hexyl-4-oxo-2-oxetanyl)methyl]dodecyl ester, [2S-[2alpha(R*),3beta]]-; THL; KS-1183; Lipase Inhibitor, THL; ORLISTAT [HSDB]; ORLISTAT [USAN]; ORLISTAT [INN]; ORLISTAT [JAN]; ORLISTAT [MI]; (-)-tetrahydrolipostatin; ORLISTAT [VANDF]; R-212; ORLISTAT [MART.]; ORLISTAT [USP-RS]; ORLISTAT [WHO-DD]; Orlistat (JAN/USP/INN); ORLISTAT [EMA EPAR]; Orlistat, >=98%, solid; SCHEMBL16408; L-Leucine, N-formyl-, 1-((3-hexyl-4-oxo-2-oxetanyl)methyl)dodecyl ester, (2S-(2alpha(R*),3beta))-; MLS000759448; MLS001423955; BIDD:GT0853; ORLISTAT [ORANGE BOOK]; GTPL5277; ORLISTAT [USP MONOGRAPH]; BDBM24567; CHEBI:94686; HY-B0218R; AHLBNYSZXLDEJQ-FWEHEUNISA-N; Tetrahydrolipstatin;Ro-18-0647; HMS2051I08; HMS3413P06; HMS3677P06; HY-B0218; Tox21_111437; HB4009; s1629; AKOS015894875; Tox21_111437_1; BCP9001031; CCG-100851; DB01083; NC00101; NSC 758881; Ro18-0647; NCGC00165856-01; NCGC00165856-02; NCGC00165856-03; NCGC00165856-14; NCGC00165856-15; [(1S)-1-[[(2S,3S)-3-hexyl-4-oxo-oxetan-2-yl]methyl]dodecyl] (2S)-2-formamido-4-methyl-pentanoate; BO164179; R212; BCP0726000044; CS-0694775; NS00004788; O0381; SW197481-2; D04028; EN300-268136; AB00639987-09; AB00639987_10; Q424163; Q-201519; SR-01000759417-5; SR-01000759417-7; Z2379810072; Orlistat, United States Pharmacopeia (USP) Reference Standard; Orlistat, Pharmaceutical Secondary Standard; Certified Reference Material; (2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]tridecan-2-yl N-formyl-L-leucinate; 2-formamido-3-[(3-hexyl-4-oxo-oxetan-2-yl)methyl]-2-isobutyl-tetradecanoate; N-formyl-L-leucine (S)-1-[[(2S,3S)-3-hexyl-4-oxo-2-oxetanyl]methyl]dodecyl ester; N-formyl-L-leucine-(S)-1-[[(2S,3S)-3-hexyl-4-oxo-2-oxetanyl]methyl]-dodecyl ester; (2S)-2-formamido-4-methylpentanoic acid [(2S)-1-[(2S,3S)-3-hexyl-4-oxo-2-oxetanyl]tridecan-2-yl] ester; [(2S)-1-[(2R,3S)-3-hexyl-4-oxooxetan-2-yl]tridecan-2-yl] (2R)-2-formamido-4-methylpentanoate; 104872-04-0; L-LEUCINE, N-FORMYL-, 1-((3-HEXYL-4-OXO-2-OXETANYL)METHYL)DODECYL ESTER, (2S-(2.ALPHA.(R*),3.BETA.))-	495.7	C29H53NO5	81.7	579	10	35	1	5	23	InChI=1S/C29H53NO5/c1-5-7-9-11-12-13-14-15-16-18-24(34-29(33)26(30-22-31)20-23(3)4)21-27-25(28(32)35-27)19-17-10-8-6-2/h22-27H,5-21H2,1-4H3,(H,30,31)/t24-,25-,26-,27-/m0/s1	CCCCCCCCCCC[C@@H](C[C@H]1[C@@H](C(=O)O1)CCCCCC)OC(=O)[C@H](CC(C)C)NC=O	CCCCCCCCCCCC(CC1C(C(=O)O1)CCCCCC)OC(=O)C(CC(C)C)NC=O	AHLBNYSZXLDEJQ-FWEHEUNISA-N	[(2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]tridecan-2-yl] (2S)-2-formamido-4-methylpentanoate
LDCM0019	Staurosporine	44259	staurosporine; Staurosporin; 62996-74-1; (+)-Staurosporine; Antibiotic 230; Antibiotic AM 2282; AM-2282; CCRIS 3272; Antibiotic AM-2282; Alkaloid AM-2282 from Streptomyces; (5S,6R,7R,9R)-6-methoxy-5-methyl-7-(methylamino)-6,7,8,9,15,16-hexahydro-5H,14H-17-oxa-4b,9a,15-triaza-5,9-methanodibenzo[b,h]cyclonona[jkl]cyclopenta[e]-as-indacen-14-one; H88EPA0A3N; CHEMBL388978; CHEBI:15738; 8,12-Epoxy-1H,8H-2,7b,12a-triazadibenzo(a,g)cyclonona(cde)trinden-1-one, 2,3,9,10,11,12-hexahydro-9-methoxy-8-methyl-10-(methylamino)-, (8alpha,9beta,10beta,12alpha)-(+)-; (5S,6R,7R,9R)-6-methoxy-5-methyl-7-methylamino-6,7,8,9,15,16-hexahydro-5H,14H-5,9-epoxy-4b,9a,15-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-14-one; UNII-H88EPA0A3N; GNF-PF-1389; methoxy-methyl-(methylamino)[?]one; SR-00000001485; DTXSID6041131; Staurosporin, 4; 1nvr; 1stc; 1xbc; 1xjd; 1yhs; 2gcd; Staurosporine, 8; C28H26N4O3; CGP 39360; Staurosporine & TNF; 1q3d; 1sm2; 2dq7; STAUROSPORINE [MI]; MolMap_000047; SCHEMBL8157; CBiol_001978; BSPBio_001146; GTPL346; BDBM2579; MEGxm0_000307; 1u59; BCPP000063; Bio1_000264; Bio1_000753; Bio1_001242; HMS1990J07; HMS3650B17; EX-A1777; AM2282; CGP-39360; HB0590; NSC755774; s1421; Staurosporin and Antibiotic AM-2282; AKOS015897119; AM 2282; CCG-208052; DB02010; NSC-755774; QTL1_000078; NCGC00162400-01; NCGC00162400-02; NCGC00162400-03; NCGC00162400-04; NCGC00162400-05; NCGC00162400-06; NCGC00162400-09; 9,13-Epoxy-1H,9H-diindolo(1,2,3-gh:3',2',1'-lm)pyrrolo(3,4-j)(1,7)-benzodiazonin-1-one, 2,3,10,11,12,13-hexahydro-10-methoxy-9-methyl-11-(methylamino)-, (9S-(9alpha,10beta,11beta,13alpha)-; AC-35765; HY-15141; NS00011817; Staurosporine & Tumor necrosis factor (TNF); T4000; Q5957181; SR-00000001485-4; BRD-K17953061-001-02-8; BRD-K17953061-001-04-4; BRD-K17953061-001-05-1; BRD-K17953061-001-08-5; BRD-K17953061-001-10-1; BRD-K17953061-001-11-9; (2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.1^{2,6}.0^{7,28}.0^{8,13}.0^{15,19}.0^{20,27}.0^{21,26}]nonacosa-8(13),9,11,14(28),15(19),20(27),21(26),22,24-nonaen-16-one; (2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.1^{2,6}.0^{7,28}.0^{8,13}.0^{15,19}.0^{20,27}.0^{21,26}]nonacosa-8,10,12,14(28),15(19),20(27),21,23,25-nonaen-16-one; (2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-16-one; (5S,6R,7R,9R)-6-methoxy-5-methyl-7-(methylamino)-6,7,8,9,15,16-hexahydro-5H,14H-5,9-epoxy-4b,9a,15-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-14-one; (9S,10R,11R,13R)- 2,3,10,11,12,13-HEXAHYDRO-10-METHOXY-9-METHYL-11-(METHYLAMINO)-9,13-EPOXY-1H,9H-DIINDOLO(1,2,3-GH:3',2',1'-LM)PYRROLO(3,4-J)(1,7)BENZODIAZONIN-1-ONE; 109189-95-9; 9,13-Epoxy-1H,9H-diindolo[1,2,3-gh:3',2',1'-lm]pyrrolo[3,4-j][1,7]benzodiazonin-1-one, 2,3,10,11,12,13-hexahydro-10-methoxy-9-methyl-11-(methylamino)-, (9S,10R,11R,13R)- & Tumor necrosis factor (TNF); 9,13-Epoxy-1H,9H-diindolo[1,2,3-gh:3',2',1'-lm]pyrrolo[3,4-j][1,7]benzodiazonin-1-one, 2,3,10,11,12,13-hexahydro-10-methoxy-9-methyl-11-(methylamino)-, (9S,10R,11R,13R)- (9CI); 9,13-Epoxy-1H,9H-diindolo[1,2,3-gh:3',2',1'-lm]pyrrolo[3,4-j][1,7]benzodiazonin-1-one, 2,3,10,11,12,13-hexahydro-10-methoxy-9-methyl-11-(methylamino)-, [9S-(9alpha,10beta,11beta,13alpha)]-	466.5	C28H26N4O3	69.4	901	3.2	35	2	4	2	InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	C[C@@]12[C@@H]([C@@H](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)NC)OC	CC12C(C(CC(O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)NC)OC	HKSZLNNOFSGOKW-FYTWVXJKSA-N	(2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-16-one
LDCM0020	ARS-1620	137003167	ARS-1620; ARS-1323; 1698055-85-4; ARS-1630; 1698024-73-5; 1698055-86-5; (S)-1-(4-(6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl)piperazin-1-yl)prop-2-en-1-one; 1-[4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one; ARS1620; CHEMBL4214264; 1-(4-(6-Chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl)piperazin-1-yl)prop-2-en-1-one; 1-{4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl}prop-2-en-1-one; SCHEMBL16637284; GTPL10383; ARS1323; CHEBI:193597; ZRPZPNYZFSJUPA-UHFFFAOYSA-N; GLXC-26426; AMY16838; ARS 1323; ARS 1620; BCP29127; EX-A2714; EX-A2836; EX-A2837; YSC02473; YSC05586; ARS-1323?; BDBM50459706; HY-U00416; HY-U00417; NSC812172; s8707; AKOS037648780; example 227 [US9840516B2]; NSC-812172; SB23244; AC-31602; AC-31607; AC-31608; BS-15572; SY235586; CS-0035015; CS-0035117; (R)-1-(4-(6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl)piperazin-1-yl)prop-2-en-1-one; (S)-1-[4-[6-Chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-quinazolinyl]-1-piperazinyl]-2-propen-1-one; 1-[4-[(7S)-6-chloro-8-fluoro-7-[(1S)-2-fluoro-6-hydroxyphenyl]-4-quinazolinyl]-1-piperazinyl]-2-propen-1-one; 1-{4-[(7Sa)-6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl}prop-2-en-1-one	430.8	C21H17ClF2N4O2	69.6	636	4	30	1	7	3	InChI=1S/C21H17ClF2N4O2/c1-2-16(30)27-6-8-28(9-7-27)21-12-10-13(22)17(19(24)20(12)25-11-26-21)18-14(23)4-3-5-15(18)29/h2-5,10-11,29H,1,6-9H2	C=CC(=O)N1CCN(CC1)C2=NC=NC3=C(C(=C(C=C32)Cl)C4=C(C=CC=C4F)O)F	C=CC(=O)N1CCN(CC1)C2=NC=NC3=C(C(=C(C=C32)Cl)C4=C(C=CC=C4F)O)F	ZRPZPNYZFSJUPA-UHFFFAOYSA-N	1-[4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one
LDCM0021	THZ1	73602827	THZ1; 1604810-83-4; THZ-1; HY-80013; (E)-N-(3-((5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl)amino)phenyl)-4-(4-(dimethylamino)but-2-enamido)benzamide; CHEMBL3603847; Benzamide, N-[3-[[5-chloro-4-(1H-indol-3-yl)-2-pyrimidinyl]amino]phenyl]-4-[[(2E)-4-(dimethylamino)-1-oxo-2-buten-1-yl]amino]-; N-[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide; THZ1 free base; THZ1 Hydrochloride?; GTPL8052; SCHEMBL14979765; SCHEMBL18229934; EX-A802; CHEBI:230500; BCP10167; BDBM50110178; NSC825089; AKOS026674118; CS-3167; NSC-825089; NCGC00389590-03; NCGC00389590-05; AC-32933; MS-30252; N-[3-[[5-chloro-4-(1H-indol-3-yl)-2-pyrimidinyl]amino]phenyl]-4-[[(2E)-4-(dimethylamino)-1-oxo-2-buten-1-yl]amino]-benzamide; A900294; J-690216; Q27088991; (E)-N-(3-(5-Chloro-4-(1H-indol-3-yl)pyrimidin-2-ylamino)phenyl)-4-(4-(dimethylamino)but-2-enamido)benzamide; (E)-N-(3-(5-Chloro-4-(1H-indol-3-yl)pyrimidin-2-ylamino)phenyl)-4-(4-(dimethylamino)but-2-enamido)benzamide dihydrochloride; 2422107-17-1	566.1	C31H28ClN7O2	115	896	4.8	41	4	6	9	InChI=1S/C31H28ClN7O2/c1-39(2)16-6-11-28(40)35-21-14-12-20(13-15-21)30(41)36-22-7-5-8-23(17-22)37-31-34-19-26(32)29(38-31)25-18-33-27-10-4-3-9-24(25)27/h3-15,17-19,33H,16H2,1-2H3,(H,35,40)(H,36,41)(H,34,37,38)/b11-6+	CN(C)C/C=C/C(=O)NC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)C4=CNC5=CC=CC=C54)Cl	CN(C)CC=CC(=O)NC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)C4=CNC5=CC=CC=C54)Cl	OBJNFLYHUXWUPF-IZZDOVSWSA-N	N-[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide
LDCM0022	KB02	16227198	57368-84-0; 2-chloro-1-(6-methoxy-1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one; 1-(chloroacetyl)-6-methoxy-1,2,3,4-tetrahydroquinoline; 2-CHLORO-1-(6-METHOXY-3,4-DIHYDRO-2H-QUINOLIN-1-YL)ETHANONE; 2-Chloro-1-(3,4-dihydro-6-methoxy-1(2H)-quinolinyl)ethanone; KB02; SCHEMBL21107652; DTXSID201188380; 2-chloro-1-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)ethan-1-one; AKOS000118097; DB-392848; CS-0242241; EN300-24641; G38387; Z199424120	239.7	C12H14ClNO2	29.5	259	2.3	16	0	2	2	InChI=1S/C12H14ClNO2/c1-16-10-4-5-11-9(7-10)3-2-6-14(11)12(15)8-13/h4-5,7H,2-3,6,8H2,1H3	COC1=CC2=C(C=C1)N(CCC2)C(=O)CCl	COC1=CC2=C(C=C1)N(CCC2)C(=O)CCl	XJPUWRWIBSSPSL-UHFFFAOYSA-N	2-chloro-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
LDCM0023	KB03	1800613	790-75-0; N-[3,5-bis(trifluoromethyl)phenyl]-2-chloroacetamide; N-Chloroacetyl-3,5-bis(trifluoromethyl)aniline; N-(3,5-bis(trifluoromethyl)phenyl)-2-chloroacetamide; n-(chloroacetyl)-3,5-bis(trifluoromethyl)aniline; 3',5'-Bis(trifluoromethyl)-2-chloroacetanilide; MFCD00077474; N-[3,5-bis(trifluoromethyl)phenyl]-2-chloro-acetamide; 2-chloro(bis-3',5'-trifluoromethylacetanilide); Acetamide,N-[3,5-bis(trifluoromethyl)phenyl]-2-chloro-; SCHEMBL263685; CHEMBL4649260; DTXSID80365189; JS-092C; AKOS000103574; PD168611; SY063231; DB-056345; CS-0197432; 3,5-Bis(trifluoromethyl)-2-chloroacetanilide; EN300-01635; D86456; A839574; J-522988; Z56869459	305.6	C10H6ClF6NO	29.1	307	4.3	19	1	7	2	InChI=1S/C10H6ClF6NO/c11-4-8(19)18-7-2-5(9(12,13)14)1-6(3-7)10(15,16)17/h1-3H,4H2,(H,18,19)	C1=C(C=C(C=C1C(F)(F)F)NC(=O)CCl)C(F)(F)F	C1=C(C=C(C=C1C(F)(F)F)NC(=O)CCl)C(F)(F)F	LEYIUTOAQOUAFG-UHFFFAOYSA-N	N-[3,5-bis(trifluoromethyl)phenyl]-2-chloroacetamide
LDCM0024	KB05	129051172	1956368-15-2; N-(4-Bromophenyl)-N-phenylacrylamide; N-(4-bromophenyl)-N-phenylprop-2-enamide; SCHEMBL18763031; EN300-26574245; Z3891076911	302.16	C15H12BrNO	20.3	291	4.3	18	0	1	3	InChI=1S/C15H12BrNO/c1-2-15(18)17(13-6-4-3-5-7-13)14-10-8-12(16)9-11-14/h2-11H,1H2	C=CC(=O)N(C1=CC=CC=C1)C2=CC=C(C=C2)Br	C=CC(=O)N(C1=CC=CC=C1)C2=CC=C(C=C2)Br	WFQQVUPOAKOTGT-UHFFFAOYSA-N	N-(4-bromophenyl)-N-phenylprop-2-enamide
LDCM0025	4SU-RNA	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
LDCM0026	4SU-RNA+native RNA	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
LDCM0027	Dopamine	681	dopamine; 4-(2-Aminoethyl)benzene-1,2-diol; 51-61-6; 3-Hydroxytyramine; Oxytyramine; Hydroxytyramin; Dopamin; 3,4-dihydroxyphenethylamine; hydroxytyramine; intropin; 4-(2-Aminoethyl)catechol; 2-(3,4-dihydroxyphenyl)ethylamine; Dopaminum; Dophamine; 4-(2-Aminoethyl)pyrocatechol; Dopamina; 3,4-Dihydroxyphenylethylamine; 4-(2-Aminoethyl)-1,2-benzenediol; L-DOPAMINE; ASL 279; Pyrocatechol, 4-(2-aminoethyl)-; 1,2-Benzenediol, 4-(2-aminoethyl)-; Dopaminum [INN-Latin]; Dopamina [INN-Spanish]; Dobutamine a; A-dopamine; 3-Hydroxtyramine; KW-3-060; alpha-(3,4-Dihydroxyphenyl)-beta-aminoethane; Sinemet; 4-(2-aminoethyl)-pyrocatechol; NSC 173182; HSDB 3068; UNII-VTD58H1Z2X; EINECS 200-110-0; VTD58H1Z2X; Dopamine (INN); NSC-173182; a-(3,4-Dihydroxyphenyl)-b-aminoethane; DTXSID6022420; CHEBI:18243; 4-(2-Aminoethyl)-1,2-bezenediol; DTXCID602420; 50444-17-2; Revimine; 3,4 Dihydroxyphenethylamine; LDP; NCGC00015519-05; Dopaminum (INN-Latin); Pyrocatechol, 4-(2-aminoethyl)- (8CI); DOPAMINE [INN]; Dopamina (INN-Spanish); Dopamine [INN:BAN]; .alpha.-(3,4-Dihydroxyphenyl)-.beta.-aminoethane; (3H)-Dopamine; Pyrocatechol, 4-(2-aminoethyl)-, hydrochloride; 62-31-7 (HYDROCHLORIDE); CAS-51-61-6; Medopa (TN); NSC169105; NSC173182; 1,2-Benzenediol, 4-(2-aminoethyl)- (9CI); NORADRENALINE TARTRATE IMPURITY C (EP IMPURITY); NORADRENALINE TARTRATE IMPURITY C [EP IMPURITY]; Intropin [*hydrochloride*]; 4-(2-Aminoethyl)-1,2-benzenediol hydrochloride; 4-(2-aminoethyl)benzene-1,2-diol;hydrochloride; DOBUTAMINE HYDROCHLORIDESPECIFIED IMPURITY A (EP IMPURITY); DOBUTAMINE HYDROCHLORIDESPECIFIED IMPURITY A [EP IMPURITY]; SR-01000075366; .beta.-(3,4-Dihydroxyphenyl)ethylamine hydrochloride; m-Hydroxytyramine-; Dopamine (USAN)(*hydrochloride*); Dopamine1515; IP 498; Intropin (Salt/Mix); Spectrum_001012; 1,2-Benzenediol, 4-(2-aminoethyl)-, labeled with tritium; DOPAMINE [HSDB]; DOPAMINE [MI]; CHEMBL59; DOPAMINE [VANDF]; Spectrum2_001023; Spectrum3_000406; Spectrum4_000525; Spectrum5_000945; Lopac-H-8502; Biomol-NT_000001; bmse000909; bmse000933; DOPAMINE [WHO-DD]; SCHEMBL8505; 1, 4-(2-aminoethyl)-; Lopac0_000586; Oprea1_088821; BSPBio_001932; GTPL940; KBioGR_001129; KBioGR_002388; KBioGR_002484; KBioSS_001492; KBioSS_002393; KBioSS_002491; cid_65340; BIDD:ER0506; DivK1c_000780; SPECTRUM1505155; SPBio_001205; BPBio1_001123; 153C5321-5FEE-4B0B-8925-F388F0EEEBD1; BDBM55121; KBio1_000780; KBio2_001492; KBio2_002388; KBio2_002484; KBio2_004060; KBio2_004956; KBio2_005052; KBio2_006628; KBio2_007524; KBio2_007620; KBio3_001152; KBio3_002867; KBio3_002962; cMAP_000036; cMAP_000065; NINDS_000780; HMS3743I03; AMY40803; BCP34189; Tox21_110167; 2-(3, 4-Dihydroxyphenyl)ethylamine; 2-(3,4-dihydroxyphenyl) ethylamine; BBL013043; MFCD00130258; STK301601; 3,4-DihydroxyphenylA currencythylamin; AKOS003790978; Tox21_110167_1; CCG-204675; DB00988; FS-5341; MCULE-7558764100; SDCCGSBI-0050568.P005; 2-(3,4-Dihydroxyphenyl)-1-ethanamine; 4-(2-Amino-ethyl)-benzene-1,2-diol; 4-(2-Aminoethyl)-1,2-benzenediol #; IDI1_000780; UPCMLD0ENAT5885989:001; NCGC00015519-01; NCGC00015519-02; NCGC00015519-03; NCGC00015519-04; NCGC00015519-07; NCGC00015519-08; NCGC00015519-09; NCGC00015519-10; NCGC00015519-11; NCGC00015519-25; NCGC00096050-01; NCGC00096050-02; NCGC00096050-03; NCGC00096050-04; NCGC00096050-05; BP-23276; 4-(2-aminoethyl)pyrocatechol;hydrochloride; SBI-0050568.P004; NS00000608; EN300-35022; C03758; D07870; F21485; 4-(2-azanylethyl)benzene-1,2-diol;hydrochloride; AB00053463-12; AB00053463_13; AB00053463_14; L000232; Q170304; SR-01000075366-7; DOBUTAMINE HYDROCHLORIDE IMPURITY A [EP IMPURITY]; Oseltamivir-d3;Hydroxytyramin;4-(2-Aminoethyl)benzene-1,2-diol; 86389-83-5	153.18	C8H11NO2	66.5	119	-1	11	3	3	2	InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2	C1=CC(=C(C=C1CCN)O)O	C1=CC(=C(C=C1CCN)O)O	VYFYYTLLBUKUHU-UHFFFAOYSA-N	4-(2-aminoethyl)benzene-1,2-diol
LDCM0028	Dobutamine	36811	dobutamine; 34368-04-2; Dobutamina; racemic-Dobutamine; DL-dobutamine; Racemic dobutamine; Dobutaminum; rac-dobutamine; Compound 81929; Dobutaminum [INN-Latin]; Dobutamina [INN-Spanish]; (+/-)-dobutamine; 4-[2-[4-(4-hydroxyphenyl)butan-2-ylamino]ethyl]benzene-1,2-diol; COMPOUND-81929; CHEBI:4670; UNII-3S12J47372; (+-)-4-(2-((3-(p-Hydroxyphenyl)-1-methylpropyl)amino)ethyl)pyrocatechol; CHEMBL926; 4-(2-{[4-(4-hydroxyphenyl)butan-2-yl]amino}ethyl)benzene-1,2-diol; LY 81929; 3S12J47372; DTXSID3022958; Dobutamine [USAN:USP:INN:BAN]; 1,2-Benzenediol, 4-(2-((3-(4-hydroxyphenyl)-1-methylpropyl)amino)ethyl)-, (+-)-; Dobutamine [USAN]; NCGC00015321-04; Dobutaminum (INN-Latin); Dobutamina (INN-Spanish); (+/-)-4-(2-((3-(p-hydroxyphenyl)-1-methylpropyl)amino)ethyl)pyrocatechol; 3,4-dihydroxy-N-[3-(4-hydroxyphenyl)-1-methylpropyl]-beta-phenylethylamine; 4-{2-[3-(4-Hydroxy-phenyl)-1-methyl-propylamino]-ethyl}-benzene-1,2-diol; DTXCID702958; DOBUTAMINE (USP IMPURITY); DOBUTAMINE [USP IMPURITY]; Dobutamine (USAN:USP:INN:BAN); 1,2-BENZENEDIOL, 4-(2-((3-(4-HYDROXYPHENYL)-1-METHYLPROPYL)AMINO)ETHYL)-; 1,2-BENZENEDIOL, 4-(2-((3-(4-HYDROXYPHENYL)-1-METHYLPROPYL)AMINO)ETHYL)-, (+/-)-; 4-(2-((3-(4-HYDROXYPHENYL)-1-METHYLPROPYL)AMINO)ETHYL)-1,2-BENZENEDIOL; CAS-34368-04-2; DOBUTAMINEHYDROCHLORIDE; Dobutamin; 4-(2-(4-(4-hydroxyphenyl)butan-2-ylamino)ethyl)benzene-1,2-diol; 3,4-dihydroxy-N-(3-(4-hydroxyphenyl)-1-methylpropyl)-beta-phenylethylamine; 4-(2-((4-(4-Hydroxyphenyl)butan-2-yl)amino)ethyl)benzene-1,2-diol; 4-(2-(3-(4-Hydroxy-phenyl)-1-methyl-propylamino)-ethyl)-benzene-1,2-diol; DOBUTAMINE [MI]; DOBUTAMINE [INN]; Dobutamine (USAN/INN); Prestwick0_000352; Prestwick1_000352; Prestwick2_000352; Prestwick3_000352; DOBUTAMINE [VANDF]; DOBUTAMINE [WHO-DD]; Lopac0_000365; SCHEMBL21237; BSPBio_000443; GTPL535; cid_36811; SPBio_002364; BPBio1_000489; C01CA07; HMS2089K05; AMY40802; Tox21_110126; BBL033719; BDBM50325274; HY-15746A; STL373008; 4-(2-{[3-(4-hydroxyphenyl)-1-methylpropyl]amino}ethyl)benzene-1,2-diol; AKOS025248013; Tox21_110126_1; CCG-204460; DB00841; MCULE-6655494898; SDCCGSBI-0050353.P002; NCGC00015321-03; NCGC00015321-05; NCGC00015321-06; NCGC00015321-07; NCGC00015321-08; NCGC00015321-09; NCGC00015321-11; NCGC00015321-18; NCGC00024629-02; NCGC00024629-03; VS-12236; CS-0013581; NS00007916; C06967; D03879; EN300-18539446; L001157; Q422782; SR-01000075265-9; BRD-A78322124-003-03-3; 4-(2-([3-(4-Hydroxyphenyl)-1-methylpropyl]amino)ethyl)-1,2-benzenediol #; 4-[2-[[3-(4-hydroxyphenyl)-1-methyl-propyl]amino]ethyl]benzene-1,2-diol; (.+/-.)-4-[2-[[3-(p-Hydroxyphenyl)-1-methylpropyl]amino]ethyl]pyrocatechol; 1,2-Benzenediol, 4-[2-[[3-(4-hydroxyphenyl)-1-methylpropyl]amino]ethyl]-, (.+/-.)-; 4-{2-[3-(4-Hydroxy-phenyl)-1-methyl-propylamino]-ethyl}-benzene-1,2-diol(Dobutamine)	301.4	C18H23NO3	72.7	305	3.4	22	4	4	7	InChI=1S/C18H23NO3/c1-13(2-3-14-4-7-16(20)8-5-14)19-11-10-15-6-9-17(21)18(22)12-15/h4-9,12-13,19-22H,2-3,10-11H2,1H3	CC(CCC1=CC=C(C=C1)O)NCCC2=CC(=C(C=C2)O)O	CC(CCC1=CC=C(C=C1)O)NCCC2=CC(=C(C=C2)O)O	JRWZLRBJNMZMFE-UHFFFAOYSA-N	4-[2-[4-(4-hydroxyphenyl)butan-2-ylamino]ethyl]benzene-1,2-diol
LDCM0029	Quercetin	5280343	quercetin; 117-39-5; Sophoretin; Meletin; Quercetine; Xanthaurine; Quercetol; Quertine; Quercitin; 2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one; 3,3',4',5,7-Pentahydroxyflavone; Cyanidelonon 1522; Flavin meletin; 3,5,7,3',4'-Pentahydroxyflavone; Quertin; T-Gelb bzw. grun 1; C.I. Natural Yellow 10; Quercetin content; Kvercetin; C.I. 75670; C.I. Natural red 1; Cyanidenolon 1522; 2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one; CI Natural Yellow 10; Corvitin; Korvitin; Lipoflavon; 3',4',5,7-Tetrahydroxyflavan-3-ol; C.I. Natural yellow 10 & 13; Flavone, 3,3',4',5,7-pentahydroxy-; NSC 9219; 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one; CCRIS 1639; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-; HSDB 3529; NCI-C60106; 3'-hydroxykaempferol; CHEBI:16243; NSC9219; 3,5,7-Trihydroxy-2-(3,4-dihydroxyphenyl)-4H-chromen-4-on; AI3-26018; UNII-9IKM0I5T1E; C15H10O7; NSC-9219; EINECS 204-187-1; 9IKM0I5T1E; Quercetin (GMP); 3',4',5,7-tetrahydroxyflavon-3-ol; BRN 0317313; CI 75670; DTXSID4021218; 3,3',4,5,7-Pentahydroxyflavone; 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chromen-4-one; CHEMBL50; Ci-75670; MFCD00006828; NSC-57655; LDN-0052529; Flavone, 3,4',5,5',7-pentahydroxy-; DTXCID001218; 2-(3,4-Dihydroxy-phenyl)-3,5,7-trihydroxy-chromen-4-one; 3,5,7-trihydroxy-2-(3,4-dihydroxyphenyl)-4H-chromen-4-one; Quercetin (constituent of ginkgo); 5-18-05-00494 (Beilstein Handbook Reference); 3,5,7,3',4'-Pentahydroxyflavon; Kvercetin [Czech]; Natural Yellow 10; QUERCETIN (IARC); QUERCETIN [IARC]; QUERCETIN (USP-RS); QUERCETIN [USP-RS]; QUE; BRD9794; Dikvertin; BRD-9794; 2-(3,4-DIHYDROXYPHENYL)-3,5,7-TRIHYDROXY-4H-BENZOPYRAN-4-ONE; CAS-117-39-5; 3',4',5,7-tetrahydroxyflavonol; 3,5,7,3',4'-pentahydroflavone; NSC57655; NSC58588; SR-01000076098; MixCom3_000183; Ritacetin; Quer; Quercetin,; 74893-81-5; 4dfu; 4mra; Quercetin2H2O; Meletin;Sophoretin; Quercetin Phenolic; KUC104418N; KUC107684N; LIM-5662; LNS-5662; TNP00070; TNP00089; Quercetin1540; CI Natural Red 1; KSC-23-76; Quercetin_sathishkumar; KSC-10-126; Quercetin (Sophoretin); Spectrum_000124; Tocris-1125; 3cf8; QUERCETIN [DSC]; QUERCETIN [MI]; BiomolKI_000062; QUERCETIN [HSDB]; QUERCETIN [INCI]; Maybridge1_008992; Prestwick0_000507; Prestwick1_000507; Prestwick2_000507; Prestwick3_000507; Spectrum2_000059; Spectrum3_000642; Spectrum4_000807; Spectrum5_001389; Lopac-Q-0125; QUERCETIN [VANDF]; P0042; C.I. natural yellow 13; BiomolKI2_000068; Enicostemma Littorale Blume; UPCMLD-DP081; Q 0125; QUERCETIN [WHO-DD]; NCIOpen2_007628; NCIOpen2_007882; BIDD:PXR0007; Lopac0_000999; SCHEMBL19723; BSPBio_000433; BSPBio_001068; BSPBio_002243; KBioGR_000408; KBioGR_001293; KBioSS_000408; KBioSS_000584; MLS006011766; BIDD:ER0315; DivK1c_000485; SCHEMBL219729; SPECTRUM1500672; T-GELB BZW, GRUN 1; CU-01000012502-3; SPBio_000217; SPBio_002354; BDBM7460; BPBio1_000477; GTPL5346; MEGxp0_000381; SGCUT00001; 3,4',5,7-Pentahydroxyflavone; CI Natural Yellow 10 & 13; NIOSH/LK8760000; UPCMLD-DP081:001; ACon1_000560; HMS501I07; KBio1_000485; KBio2_000408; KBio2_000584; KBio2_002976; KBio2_003152; KBio2_005544; KBio2_005720; KBio3_000775; KBio3_000776; KBio3_001463; 3,7,3',4'-Pentahydroxyflavone; NINDS_000485; 3',5,7-Tetrahydroxyflavan-3-ol; Bio1_000369; Bio1_000858; Bio1_001347; Bio2_000374; Bio2_000854; HMS1362F09; HMS1792F09; HMS1923O19; HMS1990F09; HMS3263G19; HMS3267M12; HMS3414J21; HMS3649D04; HMS3656C15; HMS3678J19; to_000078; 3,4',5,5',7-pentahydroxyflavone; Tox21_202308; Tox21_300285; Tox21_500999; BBL005513; CCG-40054; Flavone,3',4',5,7-pentahydroxy-; HB0542; HY-18085G; LMPK12110004; NSC 57655; NSC324608; NSC756660; s2391; STK365650; Quercetin, >=95% (HPLC), solid; 3,4',5,5',7-pentahydroxy-Flavone; AKOS000511724; Quercetin 1000 microg/mL in Acetone; CS-3981; DB04216; DS-3416; LP00999; MCULE-2433372790; NSC-756660; SDCCGSBI-0050972.P003; IDI1_000485; IDI1_002129; LDN 0052529; SMP1_000252; NCGC00015870-01; NCGC00015870-02; NCGC00015870-03; NCGC00015870-04; NCGC00015870-05; NCGC00015870-06; NCGC00015870-07; NCGC00015870-08; NCGC00015870-09; NCGC00015870-10; NCGC00015870-11; NCGC00015870-12; NCGC00015870-13; NCGC00015870-14; NCGC00015870-15; NCGC00015870-16; NCGC00015870-17; NCGC00015870-18; NCGC00015870-19; NCGC00015870-21; NCGC00015870-22; NCGC00015870-23; NCGC00015870-24; NCGC00015870-25; NCGC00015870-28; NCGC00015870-36; NCGC00015870-48; NCGC00015870-50; NCGC00025016-01; NCGC00025016-02; NCGC00025016-03; NCGC00025016-04; NCGC00025016-05; NCGC00025016-06; NCGC00025016-07; NCGC00025016-08; NCGC00168962-01; NCGC00168962-02; NCGC00168962-03; NCGC00168962-04; NCGC00254218-01; NCGC00259857-01; NCGC00261684-01; Quercetin 100 microg/mL in Acetonitrile; AC-19596; AC-29756; HY-18085; NCI60_042036; SMR000112559; SY057722; (+)-3,3',4',5,7-Pentahydroxyflavone; Quercetin, Sophoretin, Meletin, Quercetine; CS-0638666; EU-0100999; LK87600000; NS00001142; Q0025; SW148203-4; Quercetin; 3,3',4',5,7-Pentahydroxyflavone; C00389; EN300-199773; K00029; S00057; QUERCETIN (CONSTITUENT OF GINKGO) [DSC]; WLN: T66 BO EVJ CR CQ DQ & DQ GQ IQ; 2-(3,4-Dihydroxyphenyl)-4H-1-benzopyran-4-one; Flavone, 3,3',4',5,7-pentahydroxy-, (+)-; Q409478; Q-200333; SR-01000076098-1; SR-01000076098-3; SR-01000076098-7; SR-01000076098-8; BRD-K97399794-001-02-1; BRD-K97399794-001-07-0; BRD-K97399794-001-09-6; BRD-K97399794-001-11-2; BRD-K97399794-335-03-1; SR-01000076098-11; Z57176222; 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chromone;hydrate; 49643640-FD4C-4B93-BD28-0D7C2021CC52; 2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one #; (+)-4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-; 4H-1-Benzopyran-4-one,2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-,zirconium(2+)salt(1:1)	302.23	C15H10O7	127	488	1.5	22	5	7	1	InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H	C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O	C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O	REFJWTPEDVJJIY-UHFFFAOYSA-N	2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one
LDCM0030	Luteolin	5322065	7,3',4'-Trihydroxyflavone; 2150-11-0; 2-(3,4-dihydroxyphenyl)-7-hydroxy-4H-chromen-4-one; 3',4',7-Trihydroxyflavone; 2-(3,4-dihydroxyphenyl)-7-hydroxychromen-4-one; CHEMBL301624; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-7-hydroxy-; 2-(3,4-Dihydroxyphenyl)-7-hydroxy-4H-1-benzopyran-4-one; Flavone, 7,3',4'-trihydroxy-; T 414; 104666-14-0; 3 inverted exclamation marka,4 inverted exclamation marka,7-Trihydroxyflavone; Flavone, 3',4',7-trihydroxy- (6CI,7CI,8CI); 2-(3,4-Dihydroxyphenyl)-7-hydroxy-4H-1-benzopyran-4-one; 3',4',7-Trihydroxyflavone; 3',4',7-Trihydroxylflavone; 5-Deoxyluteolin; 7,3',4'-Trihydroxyflavone; BRN 0253031; 4hlf; 2-(3,4-Dihydroxy-phenyl)-7-hydroxy-chromen-4-one; 3',4',7- TRIHYDROXY FLAVONE; 3',4',7-Trihydroxyflavon; NS7F7K27CD; SCHEMBL34405; 7, 3',4'-Trihydroxyflavone; 3'',4'',7-trihydroxyflavon; 7,3'',4''-Trihydroxyflavone; DTXSID30175836; CHEBI:196247; PVFGJHYLIHMCQD-UHFFFAOYSA-N; HY-N2736; BDBM50077325; LMPK12110042; MFCD00017434; AKOS016009456; MCULE-1703428892; BS-49064; DB-045596; CS-0023236; NS00116328; D81760; 2-(3,4-dihydroxyphenyl)-7-hydroxy-chromen-4-one; 5-18-04-00590 (Beilstein Handbook Reference); Q-100553; Q23055239; 2-(3,4-Bis(oxidanyl)phenyl)-7-oxidanyl-chromen-4-one; 15Z	270.24	C15H10O5	87	419	2.9	20	3	5	1	InChI=1S/C15H10O5/c16-9-2-3-10-12(18)7-14(20-15(10)6-9)8-1-4-11(17)13(19)5-8/h1-7,16-17,19H	C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C=C(C=C3)O)O)O	C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C=C(C=C3)O)O)O	PVFGJHYLIHMCQD-UHFFFAOYSA-N	2-(3,4-dihydroxyphenyl)-7-hydroxychromen-4-one
LDCM0031	Epigallocatechin gallate	65064	(-)-Epigallocatechin gallate; EGCG; 989-51-5; Epigallocatechin gallate; Epigallocatechin 3-gallate; Tea catechin; Epigallocatechin-3-gallate; Teavigo; Epigallocatechin-3-monogallate; (-)-Epigallocatechin-3-o-gallate; (-)-epigallocatechin 3-gallate; PF-EGCg 90; (-)-Epigallocatechol gallate; NVP-XAA 723; CCRIS 3729; (2R,3R)-5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)chroman-3-yl 3,4,5-trihydroxybenzoate; Catechin deriv.; UNII-BQM438CTEL; BQM438CTEL; epigallocatechin-3-O-gallate; CHEBI:4806; Epigallocatechingallate; Epigallocatechin-gallate; Epigallocatechol, 3-gallate, (-)-; (2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate; CHEMBL297453; [(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate; DTXSID1029889; [(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chroman-3-yl] 3,4,5-trihydroxybenzoate; Benzoic acid, 3,4,5-trihydroxy-, (2R,3R)-3,4-dihydro-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-3-yl ester; EGCG cpd; (-)-Epigallocatechin Gallate (Standard); (2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate; Gallic acid, 3-ester with epigallocatechol, (-)-; DTXCID80567; (-)-cis-3,3',4',5,5',7-Hexahydroxy-flavane-3-gallate; epigallo-catechin gallate; (-)-cis-2-(3,4,5-Trihydroxyphenyl)-3,4-dihydro-1(2H)-benzopyran-3,5,7-triol 3-gallate; Benzoic acid, 3,4,5-trihydroxy-, 3,4-dihydro-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-3-yl ester, (2R-cis)-; Benzoic acid, 3,4,5-trihydroxy-,(2R,3R)-3,4-dihydro-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-3-yl ester; CAS-989-51-5; SMR000449288; SR-01000759328; (-)-EPIGALLOCATECHIN-3-O-GALLATE (USP-RS); (-)-EPIGALLOCATECHIN-3-O-GALLATE [USP-RS]; L-Epigallocatechin gallate; Epigallocate; Sunphenon; EPIGALOCATECHIN GALLATE; (-)-EGCG; Epigallocic acid; Teatannin II; 2kdh; 3oob; 4awm; (-)-epigallocatechin 3-O-gallate; KDH; Epigallocatcchin Gallate; Epigallocatechol Gallate; Spectrum_000316; SpecPlus_000277; Spectrum2_000168; Spectrum3_000244; Spectrum4_001541; Spectrum5_000102; Galloyl-L-epigallocatechol; EGCG [WHO-DD]; EGCG [MI]; 3-O-Galloylepigallocatechin; (-)-Epigallocatechin gallat; (-)-Epigallocatehin gallate; SCHEMBL35258; BSPBio_001628; epigallocatechin-gallate-(-); KBioGR_002002; KBioSS_000796; SPECTRUM210239; cid_65064; MLS000758300; MLS001424000; DivK1c_006373; SPBio_000035; Epigallocatechin monogallate, B; GTPL7002; MEGxp0_001166; (-)-Epigallocatechin-3-gallate; ACon1_001054; KBio1_001317; KBio2_000796; KBio2_003364; KBio2_005932; KBio3_001128; HMS2051K21; HMS3649E08; 3-O-Galloyl-(-)-epigallocatechin; EPIGALLOCATECHIN 3-O-GALLATE; Tox21_201468; Tox21_303457; BDBM50070942; CCG-38378; FR-109; HY-13653R; LMPK12030005; MFCD00075940; s2250; AKOS015918182; CS-1258; DB12116; DS-9030; EPIGALLOCATECHIN GALLATE [INCI]; MCULE-3341525983; MCULE-7760530136; NC00078; SDCCGMLS-0066550.P001; (-)-Epigallocatechin gallate, >=95%; (-)-Epigallocatechin-3-gallate; EGCG; NCGC00164319-01; NCGC00164319-02; NCGC00164319-03; NCGC00164319-04; NCGC00164319-06; NCGC00257243-01; NCGC00259019-01; (-)-Epigallocatechin gallate (85% (-)-epigallocatechin gallate, 10% (-)-epigallocatechin, 5% (-)- epicatechin gallate); 1ST40118; AC-34075; BP-30205; HY-13653; CS-0694875; E0694; NS00015163; SW197458-3; C09731; M01719; (-)-Epigallocatechin gallate, >=97.0% (HPLC); (-)-Epigallocatechin gallate, analytical standard; A845931; Q393339; SR-01000946601; Q-100914; SR-01000759328-5; SR-01000759328-6; SR-01000946601-1; Epigallocatechin-3-gallate 1000 microg/mL in Acetonitrile; (-)-Epigallocatechin gallate, >=80% (HPLC), from green tea; Epigallocatechin gallate, primary pharmaceutical reference standard; ((2R,3R)-2-(3,4,5-trihydroxyphenyl)-5,7-dihydroxy-chroman-3-yl) 3,4,5-trihydroxybenzoate; (-)-Epigallocatechin-3-O-gallate, United States Pharmacopeia (USP) Reference Standard; (2R,3R)-5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)chroman-3-yl3,4,5-trihydroxybenzoate; [5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chroman-3-yl] 2,3,4-trihydroxybenzoate; Epigallocatechin gallate, Pharmaceutical Secondary Standard; Certified Reference Material; (-)-cis-3,4-Dihydro-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-1(2H)-benzopyran-3-yl Gallate; (-)-EPIGALLOCATECHIN GALLATE (85% (-)-EPIGALLOCATECHIN GALLATE, 10% (-)-EPIGALLOCATECHIN, 5% (-)-EPICATECHIN GALLATE); (-)-EPIGALLOCATECHIN-3-O-GALLATE (EGCG) (CONSTITUENT OF POWDERED DECAFFEINATED GREEN TEA EXTRACT); (2R,3R)-5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl-3,4,5-trihydroxybenzoate; (2R-cis)-3,4-Dihydro-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-3-yl 3,4,5-Trihydroxybenzoate; [(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl]3,4,5-trihydroxybenzoate; 2041570-28-7; 3,4-Dihydro-5,7-dihydroxy-2R-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-3R-yl-3,4,5-trihydroxybenzoate	458.4	C22H18O11	197	667	1.2	33	8	11	4	InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1	C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O	C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O	WMBWREPUVVBILR-WIYYLYMNSA-N	[(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
LDCM0032	Oleacein	15553186	.	320.3	C17H20O6	101	431	1.1	23	2	6	10	InChI=1S/C17H20O6/c1-2-13(11-19)14(5-7-18)10-17(22)23-8-6-12-3-4-15(20)16(21)9-12/h2-4,7,9,11,14,20-21H,5-6,8,10H2,1H3/b13-2+/t14-/m0/s1	C/C=C(\C=O)/[C@@H](CC=O)CC(=O)OCCC1=CC(=C(C=C1)O)O	CC=C(C=O)C(CC=O)CC(=O)OCCC1=CC(=C(C=C1)O)O	XLPXUPOZUYGVPD-AGIOQNCLSA-N	2-(3,4-dihydroxyphenyl)ethyl (Z,3S)-4-formyl-3-(2-oxoethyl)hex-4-enoate
LDCM0033	Curcusone1d	163232756	SCHEMBL25936942	312.4	C20H24O3	54.4	706	3	23	1	3	1	InChI=1S/C20H24O3/c1-10(2)13-7-6-11(3)16-14(13)8-12(4)18(21)15-9-20(5,23)19(22)17(15)16/h8,13-14,16,23H,1,3,6-7,9H2,2,4-5H3/t13-,14-,16?,20?/m1/s1	CC1=C[C@@H]2[C@H](CCC(=C)C2C3=C(C1=O)CC(C3=O)(C)O)C(=C)C	CC1=CC2C(CCC(=C)C2C3=C(C1=O)CC(C3=O)(C)O)C(=C)C	DBPPEQIYWCILTJ-GGRHHHIRSA-N	(6aR,7S)-2-hydroxy-2,5-dimethyl-10-methylidene-7-prop-1-en-2-yl-3,6a,7,8,9,10a-hexahydrobenzo[h]azulene-1,4-dione
LDCM0034	ABG-001	14177661	CHEMBL4544415; tetradecyl 2,3-dihydroxybenzoate	350.5	C21H34O4	66.8	332	9.7	25	2	4	15	InChI=1S/C21H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-25-21(24)18-15-14-16-19(22)20(18)23/h14-16,22-23H,2-13,17H2,1H3	CCCCCCCCCCCCCCOC(=O)C1=C(C(=CC=C1)O)O	CCCCCCCCCCCCCCOC(=O)C1=C(C(=CC=C1)O)O	MSEMTQOADPAERG-UHFFFAOYSA-N	tetradecyl 2,3-dihydroxybenzoate
LDCM0035	1b	.	.	465.54	C21H39NO10	187.62	465.2573964	-2.3936	32	7	11	13	InChI=1S/C21H39NO10/c22-7-5-3-1-2-4-6-8-29-19-12(10-24)30-21(16(28)15(19)27)32-17-11(9-23)18-20(31-18)14(26)13(17)25/h11-21,23-28H,1-10,22H2/t11?,12?,13-,14?,15-,16?,17-,18?,19-,20-,21-/m1/s1	NCCCCCCCCO[C@@H]1C(CO)O[C@H](O[C@@H]2C(CO)C3O[C@@H]3C(O)[C@H]2O)C(O)[C@H]1O	NCCCCCCCCOC1C(CO)OC(OC2C(O)C(O)C3OC3C2CO)C(O)C1O	SBWUYMYAAGPORB-BKUQFERYSA-N	.
LDCM0036	Chloroquine	2719	chloroquine; 54-05-7; Aralen; Chlorochin; Chloraquine; Artrichin; Chloroquina; Chloroquinium; Capquin; Reumachlor; Chemochin; Chlorquin; Clorochina; Malaquin; Bemaco; Arthrochin; Bemasulph; Chingamin; Cidanchin; Cocartrit; Dichinalex; Gontochin; Pfizerquine; Quinachlor; Quinercyl; Quinoscan; Tresochin; Benaquin; Bipiquin; Elestol; Heliopar; Iroquine; Klorokin; Lapaquin; Malaren; Mesylith; Neochin; Quinilon; Roquine; Sanoquin; Silbesan; Siragan; Solprina; Sopaquin; Trochin; Amokin; Imagon; Nivaquine B; Bemaphate; Resoquine; Malarex; Chloroquinum; Cloroquina; Ronaquine; Nivaquine; Chlorochine; Chlorochinum; Quinagamine; Khingamin; N4-(7-chloroquinolin-4-yl)-N1,N1-diethylpentane-1,4-diamine; Avlochlor; Nivachine; Quinagamin; Quingamine; Resochen; Resoquina; Reumaquin; WIN 244; Delagil; ST 21 (pharmaceutical); 1,4-Pentanediamine, N4-(7-chloro-4-quinolinyl)-N1,N1-diethyl-; RP 3377; Chloroquinum [INN-Latin]; Cloroquina [INN-Spanish]; W 7618; (+-)-Chloroquine; CCRIS 3439; CHEBI:3638; HSDB 3029; 7-Chloro-4-((4-(diethylamino)-1-methylbutyl)amino)quinoline; N4-(7-Chloro-4-quinolinyl)-N1,N1-diethyl-1,4-pentanediamine; {4-[(7-chloroquinolin-4-yl)amino]pentyl}diethylamine; EINECS 200-191-2; UNII-886U3H6UFF; Chloroin; Miniquine; Rivoquine; Tanakene; Arolen; NSC 187208; NSC-187208; BRN 0482809; 886U3H6UFF; Gontochin phosphate; CHEMBL76; 4-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine; SN 6718; Chloroquine [USP:INN:BAN]; Ipsen 225; N(sup 4)-(7-Chloro-4-quinolinyl)-N(sup 1),N(sup 1)-diethyl-1,4-pentanediamine; CQ; DTXSID2040446; 7-Chloro-4-[[4-(diethylamino)-1-methylbutyl]amino]quinoline; Quinoline, 7-chloro-4-((4-(diethylamino)-1-methylbutyl)amino)-; 1,4-Pentanediamine, N(4)-(7-chloro-4-quinolinyl)-N(1),N(1)-diethyl-; MFCD00024009; NSC187208; SN 7618; Chloroquine (VAN); Clorochina [DCIT]; N(4)-(7-chloro-4-quinolinyl)-N(1),N(1)-diethyl-1,4-pentanediamine; Chloroquinum (INN-Latin); Cloroquina (INN-Spanish); 3377 RP; 1,4-Pentanediamine, N(sup 4)-(7-chloro-4-quinolinyl)-N(sup 1),N(sup 1)-diethyl-; CHLOROQUINE (MART.); CHLOROQUINE [MART.]; Chloroquine (USP:INN:BAN); 1246815-14-4; 3377 RP opalate; Chloroquin; CHLOROQUINE (USP IMPURITY); CHLOROQUINE [USP IMPURITY]; CHLOROQUINE (USP MONOGRAPH); CHLOROQUINE [USP MONOGRAPH]; Quinoline, 7-chloro-4-[[4-(diethylamino)-1-methylbutyl]amino]-; N(4)-(7-chloroquinolin-4-yl)-N(1),N(1)-diethylpentane-1,4-diamine; ST 21; 1,4-PENTANEDIAMINE, N(SUP 4)-(7-CHLORO-4-QUINOLINYL)-N(SUP 1),N (SUP 1)-DIETHYL-; NSC14050; Chloroquine (USP/INN); Malaquin (*Diphosphate*); Cloroquine; Chloroquine, 17; Arechin (Salt/Mix); Delagil (Salt/Mix); Tanakan (Salt/Mix); RP-3377; Bemaphate (Salt/Mix); Resoquine (Salt/Mix); Spectrum_000132; Chloroquine + Proveblue; CHLOROQUINE [MI]; Prestwick0_000548; Prestwick1_000548; Prestwick2_000548; Prestwick3_000548; Spectrum2_000127; Spectrum3_000341; Spectrum4_000279; Spectrum5_000707; CHLOROQUINE [INN]; (.+/-.)-Chloroquine; CHLOROQUINE [HSDB]; Epitope ID:131785; MolMap_000009; CHLOROQUINE [VANDF]; SCHEMBL8933; Lopac0_000296; BSPBio_000595; BSPBio_002001; CHLOROQUINE [WHO-DD]; KBioGR_000778; KBioSS_000592; DivK1c_000404; CU-01000012392-2; SPBio_000174; SPBio_002516; GNF-Pf-4216; BPBio1_000655; GTPL5535; DTXCID0020446; BDBM22985; KBio1_000404; KBio2_000592; KBio2_003160; KBio2_005728; KBio3_001221; P01BA01; NINDS_000404; HMS2090O03; N4-(7-chloro-4-quinolyl)-N1,N1-diethyl-pentane-1,4-diamine; HY-17589A; s6999; AKOS015935106; CCG-204391; CS-W004760; DB00608; KH-0005; MCULE-3610827164; SB73098; SDCCGSBI-0050284.P005; IDI1_000404; SMP2_000034; NCGC00015256-02; NCGC00015256-03; NCGC00015256-04; NCGC00015256-05; NCGC00015256-06; NCGC00015256-07; NCGC00015256-08; NCGC00015256-09; NCGC00015256-10; NCGC00015256-13; NCGC00015256-17; NCGC00015256-28; NCGC00162120-01; NCI60_000894; SY086904; WLN: T66 BNJ EMY1&3N2&2 IG; SBI-0050284.P004; AB00053436; C3730; CS-0021871; NS00001540; C07625; D02366; EN300-120683; MLS-0466768.0001; AB00053436-05; AB00053436_06; AB00053436_07; 1, N4-(7-chloro-4-quinolinyl)-N1,N1-diethyl-; Q422438; BRD-A91699651-065-01-1; BRD-A91699651-316-06-7; (7-Chloro-4-(4-diethylamino-1-methylbutylamino)-quinoline; n(sup4)-(7-chloro-4-quinolinyl)-n(sup1),4-pentanediamine; N'-(7-chloroquinolin-4-yl)-N,N-diethylpentane-1,4-diamine; Quinoline, 7-chloro-4-(4-diethylamino-1-methyl-butylamino)-; 7-CHLORO-N-[5-(DIETHYLAMINO)PENTAN-2-YL]QUINOLIN-4-AMINE; N~4~-(7-chloroquinolin-4-yl)-N~1~,N~1~-diethylpentane-1,4-diamine; N(sup4)-(7-chloro-4-quinolinyl)-N(sup1),N(sup1)-diethyl-1,4-pentanediamine; 117399-83-4	319.9	C18H26ClN3	28.2	309	4.6	22	1	3	8	InChI=1S/C18H26ClN3/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21)	CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl	CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl	WHTVZRBIWZFKQO-UHFFFAOYSA-N	4-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine
LDCM0037	CRF	135240833	3-[3-(but-3-yn-1-yl)-3H-diazirin-3-yl]-N-methylpropanamide; 2089056-30-2; 3-(3-(but-3-yn-1-yl)-3H-diazirin-3-yl)-N-methylpropanamide; FFF-ctrl; SCHEMBL20399954; EN300-7355163; 3-(3-but-3-ynyldiazirin-3-yl)-N-methylpropanamide	179.22	C9H13N3O	53.8	268	0.7	13	1	3	5	InChI=1S/C9H13N3O/c1-3-4-6-9(11-12-9)7-5-8(13)10-2/h1H,4-7H2,2H3,(H,10,13)	CNC(=O)CCC1(N=N1)CCC#C	CNC(=O)CCC1(N=N1)CCC#C	AXQJCYNFLNSQDW-UHFFFAOYSA-N	3-(3-but-3-ynyldiazirin-3-yl)-N-methylpropanamide
LDCM0038	JN0003	132274143	FFF-2; SCHEMBL20419265; CGP201708; 3-(3-(but-3-yn-1-yl)-3H-diazirin-3-yl)-1-(4-phenylpiperidin-1-yl)propan-1-one; 2089059-93-6	309.4	C19H23N3O	45	484	3.1	23	0	3	6	InChI=1S/C19H23N3O/c1-2-3-12-19(20-21-19)13-9-18(23)22-14-10-17(11-15-22)16-7-5-4-6-8-16/h1,4-8,17H,3,9-15H2	C#CCCC1(N=N1)CCC(=O)N2CCC(CC2)C3=CC=CC=C3	C#CCCC1(N=N1)CCC(=O)N2CCC(CC2)C3=CC=CC=C3	GRNLZAHDRUYPME-UHFFFAOYSA-N	3-(3-but-3-ynyldiazirin-3-yl)-1-(4-phenylpiperidin-1-yl)propan-1-one
LDCM0039	JN0004	.	.	399.538	C26H29N3O	45.03	399.2310625	5.4128	30	0	3	8	InChI=1S/C26H29N3O/c1-2-3-17-26(27-28-26)18-14-24(30)29-19-15-23(16-20-29)25(21-10-6-4-7-11-21)22-12-8-5-9-13-22/h1,4-13,23,25H,3,14-20H2	C#CCCC1(CCC(=O)N2CCC(C(c3ccccc3)c3ccccc3)CC2)N=N1	C#CCCC1(CCC(=O)N2CCC(C(c3ccccc3)c3ccccc3)CC2)N=N1	QGSYPKNFTKCQDR-UHFFFAOYSA-N	.
LDCM0040	JN0005	.	.	299.334	C15H17N5O2	73.65	299.1382248	1.0043	22	0	7	5	InChI=1S/C15H17N5O2/c1-4-5-6-15(16-17-15)7-8-20-9-11-12(10-20)18(2)14(22)19(3)13(11)21/h1,9-10H,5-8H2,2-3H3	C#CCCC1(CCn2cc3c(=O)n(C)c(=O)n(C)c3c2)N=N1	C#CCCC1(CCn2cc3c(=O)n(C)c(=O)n(C)c3c2)N=N1	VMCSCOCNRAUODN-UHFFFAOYSA-N	.
LDCM0041	JN0012	165946855	EN300-36971656; 4-{2-[3-(but-3-yn-1-yl)-3H-diazirin-3-yl]ethoxy}benzoic acid; 2703773-02-6	258.269	C14H14N2O3	71.2	396	2.6	19	1	5	7	InChI=1S/C14H14N2O3/c1-2-3-8-14(15-16-14)9-10-19-12-6-4-11(5-7-12)13(17)18/h1,4-7H,3,8-10H2,(H,17,18)	C#CCCC1(N=N1)CCOC2=CC=C(C=C2)C(=O)O	C#CCCC1(N=N1)CCOC2=CC=C(C=C2)C(=O)O	GZHHDTLLEQRXJG-UHFFFAOYSA-N	4-[2-(3-but-3-ynyldiazirin-3-yl)ethoxy]benzoic acid
LDCM0042	JN0020	.	.	258.277	C14H14N2O3	71.25	258.1004423	2.7292	19	1	4	7	InChI=1S/C14H14N2O3/c1-2-3-7-14(15-16-14)8-9-19-12-6-4-5-11(10-12)13(17)18/h1,4-6,10H,3,7-9H2,(H,17,18)	C#CCCC1(CCOc2cccc(C(=O)O)c2)N=N1	C#CCCC1(CCOc2cccc(C(=O)O)c2)N=N1	NHOOVLOVROZYBZ-UHFFFAOYSA-N	.
LDCM0043	JN0021	.	.	259.265	C13H13N3O3	84.14	259.0956913	2.1242	19	1	5	7	InChI=1S/C13H13N3O3/c1-2-3-4-13(15-16-13)5-6-19-11-7-10(12(17)18)8-14-9-11/h1,7-9H,3-6H2,(H,17,18)	C#CCCC1(CCOc2cncc(C(=O)O)c2)N=N1	C#CCCC1(CCOc2cncc(C(=O)O)c2)N=N1	MCHVVSKYFRHENY-UHFFFAOYSA-N	.
LDCM0044	JN0022	.	.	301.346	C16H19N3O3	97.27	301.1426415	1.9854	22	2	5	9	InChI=1S/C16H19N3O3/c1-2-3-8-16(18-19-16)9-10-22-13-6-4-12(5-7-13)11-14(17)15(20)21/h1,4-7,14H,3,8-11,17H2,(H,20,21)/t14-/m0/s1	C#CCCC1(CCOc2ccc(C[C@H](N)C(=O)O)cc2)N=N1	C#CCCC1(CCOc2ccc(CC(N)C(=O)O)cc2)N=N1	IGXRIGOIYRCBDZ-AWEZNQCLSA-N	.
LDCM0045	JN0017	.	.	272.304	C15H16N2O3	71.25	272.1160924	2.6581	20	1	4	8	InChI=1S/C15H16N2O3/c1-2-3-7-15(16-17-15)8-9-20-13-6-4-5-12(10-13)11-14(18)19/h1,4-6,10H,3,7-9,11H2,(H,18,19)	C#CCCC1(CCOc2cccc(CC(=O)O)c2)N=N1	C#CCCC1(CCOc2cccc(CC(=O)O)c2)N=N1	NYRRFAPEQANWMK-UHFFFAOYSA-N	.
LDCM0046	JN0013	.	.	272.304	C15H16N2O3	71.25	272.1160924	2.6581	20	1	4	8	InChI=1S/C15H16N2O3/c1-2-3-8-15(16-17-15)9-10-20-13-6-4-12(5-7-13)11-14(18)19/h1,4-7H,3,8-11H2,(H,18,19)	C#CCCC1(CCOc2ccc(CC(=O)O)cc2)N=N1	C#CCCC1(CCOc2ccc(CC(=O)O)cc2)N=N1	OXTSGSFHRDZVFW-UHFFFAOYSA-N	.
LDCM0047	JN00026	.	.	257.337	C15H19N3O	59.97	257.1528122	2.5322	19	1	4	8	InChI=1S/C15H19N3O/c1-2-3-9-15(17-18-15)10-12-19-14-6-4-13(5-7-14)8-11-16/h1,4-7H,3,8-12,16H2	C#CCCC1(CCOc2ccc(CCN)cc2)N=N1	C#CCCC1(CCOc2ccc(CCN)cc2)N=N1	RKTNYKAIEOFXNT-UHFFFAOYSA-N	.
LDCM0048	JN00033	.	.	286.331	C16H18N2O3	71.25	286.1317424	3.0482	21	1	4	9	InChI=1S/C16H18N2O3/c1-2-3-10-16(17-18-16)11-12-21-14-7-4-13(5-8-14)6-9-15(19)20/h1,4-5,7-8H,3,6,9-12H2,(H,19,20)	C#CCCC1(CCOc2ccc(CCC(=O)O)cc2)N=N1	C#CCCC1(CCOc2ccc(CCC(=O)O)cc2)N=N1	PAIAKNBEORTHJT-UHFFFAOYSA-N	.
LDCM0049	JN00024	.	.	325.416	C18H23N5O	64.54	325.1902604	2.8991	24	0	6	7	InChI=1S/C18H23N5O/c1-5-6-7-18(20-21-18)8-9-23-11-14-15(12-23)17(24)22(4)19-16(14)10-13(2)3/h1,11-13H,6-10H2,2-4H3	C#CCCC1(CCn2cc3c(CC(C)C)nn(C)c(=O)c3c2)N=N1	C#CCCC1(CCn2cc3c(CC(C)C)nn(C)c(=O)c3c2)N=N1	GAFJZLQXRJDCIW-UHFFFAOYSA-N	.
LDCM0050	JN00032	.	.	286.287	C15H14N2O4	88.32	286.0953569	2.2983	21	1	5	8	InChI=1S/C15H14N2O4/c1-2-3-8-15(16-17-15)9-10-21-12-6-4-11(5-7-12)13(18)14(19)20/h1,4-7H,3,8-10H2,(H,19,20)	C#CCCC1(CCOc2ccc(C(=O)C(=O)O)cc2)N=N1	C#CCCC1(CCOc2ccc(C(=O)C(=O)O)cc2)N=N1	JTMMSCAEWYTZMJ-UHFFFAOYSA-N	.
LDCM0051	JN00028	.	.	301.346	C16H19N3O3	97.27	301.1426415	1.9854	22	2	5	9	InChI=1S/C16H19N3O3/c1-2-3-7-16(18-19-16)8-9-22-13-6-4-5-12(10-13)11-14(17)15(20)21/h1,4-6,10,14H,3,7-9,11,17H2,(H,20,21)/t14-/m1/s1	C#CCCC1(CCOc2cccc(C[C@@H](N)C(=O)O)c2)N=N1	C#CCCC1(CCOc2cccc(CC(N)C(=O)O)c2)N=N1	GETPMEWCFDTJTB-CQSZACIVSA-N	.
LDCM0052	JN00247	.	.	281.315	C16H15N3O2	66.95	281.1164267	3.3051	21	1	4	6	InChI=1S/C16H15N3O2/c1-2-3-7-16(17-18-16)8-10-19-9-6-12-11-13(15(20)21)4-5-14(12)19/h1,4-6,9,11H,3,7-8,10H2,(H,20,21)	C#CCCC1(CCn2ccc3cc(C(=O)O)ccc32)N=N1	C#CCCC1(CCn2ccc3cc(C(=O)O)ccc32)N=N1	RXECNRFHMFWUOA-UHFFFAOYSA-N	.
LDCM0053	JN00248	.	.	370.413	C18H22N6O3	155.52	370.1753386	1.2468	27	4	7	10	InChI=1S/C18H22N6O3/c1-2-3-9-18(23-24-18)10-8-16(25)22-21-15(11-14(20)17(26)27)12-6-4-5-7-13(12)19/h1,4-7,14H,3,8-11,19-20H2,(H,22,25)(H,26,27)/b21-15-/t14-/m0/s1	C#CCCC1(CCC(=O)N/N=C(/C[C@H](N)C(=O)O)c2ccccc2N)N=N1	C#CCCC1(CCC(=O)NN=C(CC(N)C(=O)O)c2ccccc2N)N=N1	OASHYQXGVJVFAV-MYVXHDQYSA-N	.
LDCM0054	JN835	.	.	353.426	C19H23N5O2	81.61	353.185175	2.9294	26	0	7	7	InChI=1S/C19H23N5O2/c1-5-6-8-19(21-22-19)9-7-17(25)24-11-14-15(12-24)18(26)23(4)20-16(14)10-13(2)3/h1,11-13H,6-10H2,2-4H3	C#CCCC1(CCC(=O)n2cc3c(CC(C)C)nn(C)c(=O)c3c2)N=N1	C#CCCC1(CCC(=O)n2cc3c(CC(C)C)nn(C)c(=O)c3c2)N=N1	KEAWXWZHCDLYGJ-UHFFFAOYSA-N	.
LDCM0055	JN00245	.	.	344.371	C17H20N4O4	140.36	344.1484551	1.5979	25	3	7	10	InChI=1S/C17H20N4O4/c1-2-3-7-17(20-21-17)8-9-25-14-6-4-5-11(15(14)19)13(22)10-12(18)16(23)24/h1,4-6,12H,3,7-10,18-19H2,(H,23,24)	C#CCCC1(CCOc2cccc(C(=O)CC(N)C(=O)O)c2N)N=N1	C#CCCC1(CCOc2cccc(C(=O)CC(N)C(=O)O)c2N)N=N1	NSBJAQBLIDONPG-UHFFFAOYSA-N	.
LDCM0056	JN00038	.	.	455.643	C27H41N3O3	94.28	455.3147922	3.9147	33	3	5	5	InChI=1S/C27H41N3O3/c1-5-12-28-23(33)9-6-16(2)18-7-8-19-24-20(14-22(32)26(18,19)4)25(3)10-11-27(29-30-27)15-17(25)13-21(24)31/h1,16-22,24,31-32H,6-15H2,2-4H3,(H,28,33)/t16-,17-,18-,19+,20?,21-,22+,24+,25+,26-/m1/s1	[H][C@]12C[C@@H](O)[C@]3([H])C(C[C@H](O)[C@]4(C)[C@@H]([C@H](C)CCC(=O)NCC#C)CC[C@]43[H])[C@@]1(C)CCC1(C2)N=N1	[H]C12CC(O)C3([H])C(CC(O)C4(C)C(C(C)CCC(=O)NCC#C)CCC34[H])C1(C)CCC1(C2)N=N1	OKHNDKZIZOECGB-INRUQJTDSA-N	.
LDCM0057	JN935	.	.	299.334	C15H17N5O2	112.92	299.1382248	1.65427	22	3	5	7	InChI=1S/C15H17N5O2/c1-2-3-8-15(19-20-15)9-10-22-12-6-4-11(5-7-12)13(21)18-14(16)17/h1,4-7H,3,8-10H2,(H4,16,17,18,21)	C#CCCC1(CCOc2ccc(C(=O)NC(=N)N)cc2)N=N1	C#CCCC1(CCOc2ccc(C(=O)NC(=N)N)cc2)N=N1	NSVFKJMFKLHPSW-UHFFFAOYSA-N	.
LDCM0058	JN846	.	.	271.284	C12H13N7O	114.31	271.118158	0.6674	20	2	7	5	InChI=1S/C12H13N7O/c1-2-3-4-12(17-18-12)5-6-19-7-14-8-9(19)15-11(13)16-10(8)20/h1,7H,3-6H2,(H3,13,15,16,20)	C#CCCC1(CCn2cnc3c(=O)[nH]c(N)nc32)N=N1	C#CCCC1(CCn2cnc3c(=O)[nH]c(N)nc32)N=N1	HYJXEYOKQVXDMF-UHFFFAOYSA-N	.
LDCM0059	JN847	.	.	255.285	C12H13N7	94.34	255.1232434	1.3741	19	1	7	5	InChI=1S/C12H13N7/c1-2-3-4-12(17-18-12)5-6-19-8-16-9-10(13)14-7-15-11(9)19/h1,7-8H,3-6H2,(H2,13,14,15)	C#CCCC1(CCn2cnc3c(N)ncnc32)N=N1	C#CCCC1(CCn2cnc3c(N)ncnc32)N=N1	MCDXRBXJPIDAGU-UHFFFAOYSA-N	.
LDCM0060	JN845	.	.	256.269	C12H12N6O	88.29	256.107259	1.0852	19	1	6	5	InChI=1S/C12H12N6O/c1-2-3-4-12(16-17-12)5-6-18-8-15-9-10(18)13-7-14-11(9)19/h1,7-8H,3-6H2,(H,13,14,19)	C#CCCC1(CCn2cnc3c(=O)[nH]cnc32)N=N1	C#CCCC1(CCn2cnc3c(=O)[nH]cnc32)N=N1	QZRPTSXVUAKHFL-UHFFFAOYSA-N	.
LDCM0061	JN936	.	.	272.268	C12H12N6O2	108.26	272.1021736	0.3785	20	2	6	5	InChI=1S/C12H12N6O2/c1-2-3-4-12(16-17-12)5-6-18-7-13-8-9(18)14-11(20)15-10(8)19/h1,7H,3-6H2,(H2,14,15,19,20)	C#CCCC1(CCn2cnc3c(=O)[nH]c(=O)[nH]c32)N=N1	C#CCCC1(CCn2cnc3c(=O)[nH]c(=O)[nH]c32)N=N1	FTQCDQQGZGZDOQ-UHFFFAOYSA-N	.
LDCM0062	JN836	.	.	372.425	C19H24N4O4	103.59	372.1797552	2.376	27	2	6	12	InChI=1S/C19H24N4O4/c1-3-4-10-19(21-22-19)11-9-17(24)20-15-5-7-16(8-6-15)27-13-12-23(2)14-18(25)26/h1,5-8H,4,9-14H2,2H3,(H,20,24)(H,25,26)	C#CCCC1(CCC(=O)Nc2ccc(OCCN(C)CC(=O)O)cc2)N=N1	C#CCCC1(CCC(=O)Nc2ccc(OCCN(C)CC(=O)O)cc2)N=N1	OLIZFRAWUOPWEM-UHFFFAOYSA-N	.
LDCM0063	JN942	.	.	300.322	C14H16N6O2	125.81	300.1334738	1.04927	22	3	6	7	InChI=1S/C14H16N6O2/c1-2-3-6-14(19-20-14)7-8-22-11-5-4-10(9-17-11)12(21)18-13(15)16/h1,4-5,9H,3,6-8H2,(H4,15,16,18,21)	C#CCCC1(CCOc2ccc(C(=O)NC(=N)N)cn2)N=N1	C#CCCC1(CCOc2ccc(C(=O)NC(=N)N)cn2)N=N1	XTEUAQWBELDAMS-UHFFFAOYSA-N	.
LDCM0064	JN945	.	.	256.309	C14H16N4O	83.82	256.1324111	2.31507	19	2	4	7	InChI=1S/C14H16N4O/c1-2-3-8-14(17-18-14)9-10-19-12-6-4-11(5-7-12)13(15)16/h1,4-7H,3,8-10H2,(H3,15,16)	C#CCCC1(CCOc2ccc(C(=N)N)cc2)N=N1	C#CCCC1(CCOc2ccc(C(=N)N)cc2)N=N1	WTKOVLJXQCAPOT-UHFFFAOYSA-N	.
LDCM0065	JN940	.	.	271.324	C14H17N5O	95.85	271.1433102	2.33637	20	3	4	7	InChI=1S/C14H17N5O/c1-2-3-8-14(18-19-14)9-10-20-12-6-4-11(5-7-12)17-13(15)16/h1,4-7H,3,8-10H2,(H4,15,16,17)	C#CCCC1(CCOc2ccc(NC(=N)N)cc2)N=N1	C#CCCC1(CCOc2ccc(NC(=N)N)cc2)N=N1	QXJWZCOPYRGRNE-UHFFFAOYSA-N	.
LDCM0066	JN849	.	.	329.447	C22H23N3	27.96	329.1891977	4.5997	25	0	3	6	InChI=1S/C22H23N3/c1-2-3-13-22(23-24-22)14-15-25-16-19-11-7-8-12-20(19)21(17-25)18-9-5-4-6-10-18/h1,4-12,21H,3,13-17H2	C#CCCC1(CCN2Cc3ccccc3C(c3ccccc3)C2)N=N1	C#CCCC1(CCN2Cc3ccccc3C(c3ccccc3)C2)N=N1	GUGJCLMTLOQSFY-UHFFFAOYSA-N	.
LDCM0067	JN938	.	.	387.527	C25H29N3O	48.19	387.2310625	4.6001	29	1	4	8	InChI=1S/C25H29N3O/c1-2-3-16-24(26-27-24)17-20-28-18-14-23(15-19-28)25(29,21-10-6-4-7-11-21)22-12-8-5-9-13-22/h1,4-13,23,29H,3,14-20H2	C#CCCC1(CCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)N=N1	C#CCCC1(CCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)N=N1	HQCGRVIGGUJELY-UHFFFAOYSA-N	.
LDCM0068	JN939	.	.	415.537	C26H29N3O2	65.26	415.2259772	4.5168	31	1	4	8	InChI=1S/C26H29N3O2/c1-2-3-17-25(27-28-25)18-14-24(30)29-19-15-23(16-20-29)26(31,21-10-6-4-7-11-21)22-12-8-5-9-13-22/h1,4-13,23,31H,3,14-20H2	C#CCCC1(CCC(=O)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)N=N1	C#CCCC1(CCC(=O)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)N=N1	PTDUEOBADCGINF-UHFFFAOYSA-N	.
LDCM0069	NP	166407654	Z2902137220	241.29	C14H15N3O	53.8	368	2.4	18	1	3	6	InChI=1S/C14H15N3O/c1-2-3-10-14(16-17-14)11-9-13(18)15-12-7-5-4-6-8-12/h1,4-8H,3,9-11H2,(H,15,18)	C#CCCC1(N=N1)CCC(=O)NC2=CC=CC=C2	C#CCCC1(N=N1)CCC(=O)NC2=CC=CC=C2	ZRUNZZCUEBDVSZ-UHFFFAOYSA-N	3-(3-but-3-ynyldiazirin-3-yl)-N-phenylpropanamide
LDCM0070	Cisar_cp37	.	.	489.616	C29H35N3O4	71.85	489.2627566	5.3653	36	0	5	6	InChI=1S/C29H35N3O4/c1-5-6-13-30-14-12-21-19-23(10-11-25(21)30)26(33)22-8-7-9-24(20-22)27(34)31-15-17-32(18-16-31)28(35)36-29(2,3)4/h7-12,14,19-20H,5-6,13,15-18H2,1-4H3	CCCCn1ccc2cc(C(=O)c3cccc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)ccc21	CCCCn1ccc2cc(C(=O)c3cccc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)ccc21	ZXMHACMAZLGTCL-UHFFFAOYSA-N	.
LDCM0071	Cisar_cp14	60166330	.	471.5	C28H29N3O4	71.8	840	3.7	35	0	4	6	InChI=1S/C28H29N3O4/c1-5-13-29-14-12-22-19-23(10-11-24(22)29)25(32)20-6-8-21(9-7-20)26(33)30-15-17-31(18-16-30)27(34)35-28(2,3)4/h1,6-12,14,19H,13,15-18H2,2-4H3	CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)C(=O)C3=CC4=C(C=C3)N(C=C4)CC#C	CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)C(=O)C3=CC4=C(C=C3)N(C=C4)CC#C	CHQWHJLBPXQSFU-UHFFFAOYSA-N	tert-butyl 4-[4-(1-prop-2-ynylindole-5-carbonyl)benzoyl]piperazine-1-carboxylate
LDCM0073	Kambe_cp3	.	.	492.587	C28H28N8O	93.68	492.2386075	4.2921	37	0	9	12	InChI=1S/C28H28N8O/c1-3-17-35(20-23-11-13-25(14-12-23)37-18-15-28(2)31-32-28)26(24-10-7-16-29-19-24)27-30-33-34-36(27)21-22-8-5-4-6-9-22/h1,4-14,16,19,26H,15,17-18,20-21H2,2H3	C#CCN(Cc1ccc(OCCC2(C)N=N2)cc1)C(c1cccnc1)c1nnnn1Cc1ccccc1	C#CCN(Cc1ccc(OCCC2(C)N=N2)cc1)C(c1cccnc1)c1nnnn1Cc1ccccc1	CYJSHLKYQXVBGZ-UHFFFAOYSA-N	.
LDCM0074	Kambe_cp66	.	.	496.619	C28H32N8O	93.68	496.2699076	5.0689	37	0	9	13	InChI=1S/C28H32N8O/c1-3-17-35(20-23-11-13-25(14-12-23)37-18-15-28(2)31-32-28)26(24-10-7-16-29-19-24)27-30-33-34-36(27)21-22-8-5-4-6-9-22/h4-14,16,19,26H,3,15,17-18,20-21H2,1-2H3	CCCN(Cc1ccc(OCCC2(C)N=N2)cc1)C(c1cccnc1)c1nnnn1Cc1ccccc1	CCCN(Cc1ccc(OCCC2(C)N=N2)cc1)C(c1cccnc1)c1nnnn1Cc1ccccc1	ZKNQBPOUZRFQFC-UHFFFAOYSA-N	.
LDCM0075	kambe_cp62	.	.	405.506	C22H27N7O	89.58	405.2277085	3.7613	30	1	8	11	InChI=1S/C22H27N7O/c1-3-14-23-20(21-24-27-28-29(21)16-17-7-5-4-6-8-17)18-9-11-19(12-10-18)30-15-13-22(2)25-26-22/h4-12,20,23H,3,13-16H2,1-2H3	CCCNC(c1ccc(OCCC2(C)N=N2)cc1)c1nnnn1Cc1ccccc1	CCCNC(c1ccc(OCCC2(C)N=N2)cc1)c1nnnn1Cc1ccccc1	IPRNOIUHXFUKIA-UHFFFAOYSA-N	.
LDCM0076	kambe_cp71	.	.	410.526	C21H30N8O	100.66	410.2542576	2.5009	30	1	8	9	InChI=1S/C21H30N8O/c1-3-13-22-21(19-23-26-27-29(19)16-17-7-5-4-6-8-17)11-14-28(15-12-21)18(30)9-10-20(2)24-25-20/h4-8,22H,3,9-16H2,1-2H3	CCCNC1(c2nnnn2Cc2ccccc2)CCN(C(=O)CCC2(C)N=N2)CC1	CCCNC1(c2nnnn2Cc2ccccc2)CCN(C(=O)CCC2(C)N=N2)CC1	QDKZCRGTQQUIEC-UHFFFAOYSA-N	.
LDCM0077	kambe_cp60	.	.	413.526	C21H31N7O2	97.86	413.2539232	3.772	30	0	8	12	InChI=1S/C21H31N7O2/c1-5-7-15-28-20(22-25-26-28)19(16-8-10-17(30-4)11-9-16)27(14-6-2)18(29)12-13-21(3)23-24-21/h8-11,19H,5-7,12-15H2,1-4H3	CCCCn1nnnc1C(c1ccc(OC)cc1)N(CCC)C(=O)CCC1(C)N=N1	CCCCn1nnnc1C(c1ccc(OC)cc1)N(CCC)C(=O)CCC1(C)N=N1	CCMRBPZOXORYRR-UHFFFAOYSA-N	.
LDCM0078	kambe_cp70	.	.	323.404	C17H21N7	80.35	323.1858437	2.4284	24	1	7	6	InChI=1S/C17H21N7/c1-2-12-18-16(8-10-17(11-9-16)20-21-17)15-19-22-23-24(15)13-14-6-4-3-5-7-14/h2-7,18H,1,8-13H2	C=CCNC1(c2nnnn2Cc2ccccc2)CCC2(CC1)N=N2	C=CCNC1(c2nnnn2Cc2ccccc2)CCC2(CC1)N=N2	RQIFUPWDWFSODM-UHFFFAOYSA-N	.
LDCM0079	kambe_cp64	.	.	531.665	C28H37N9O2	104.34	531.3070214	3.8411	39	0	9	11	InChI=1S/C28H37N9O2/c1-4-15-36(27(38)35-18-16-34(3)17-19-35)25(26-29-32-33-37(26)21-22-8-6-5-7-9-22)23-10-12-24(13-11-23)39-20-14-28(2)30-31-28/h5-13,25H,4,14-21H2,1-3H3	CCCN(C(=O)N1CCN(C)CC1)C(c1ccc(OCCC2(C)N=N2)cc1)c1nnnn1Cc1ccccc1	CCCN(C(=O)N1CCN(C)CC1)C(c1ccc(OCCC2(C)N=N2)cc1)c1nnnn1Cc1ccccc1	GJDMJDOLYXDXMF-UHFFFAOYSA-N	.
LDCM0080	Flurbiprofen	3394	flurbiprofen; 5104-49-4; Ansaid; Froben; Antadys; 2-(2-fluorobiphenyl-4-yl)propanoic acid; 2-(3-fluoro-4-phenylphenyl)propanoic acid; Flubiprofen; 3-Fluoro-4-phenylhydratropic acid; Cebutid; Flurofen; Flurbiprofene; Flurbiprofeno; Flurbiprofenum; Ocufen; Flurbiprofene [INN-French]; Flurbiprofenum [INN-Latin]; Flurbiprofeno [INN-Spanish]; C15H13FO2; FP 70; BTS 18322; BTS-18322; U-27182; 2-Fluoro-alpha-methyl-(1,1'-biphenyl)-4-acetic acid; (+-)-2-Fluoro-alpha-methyl-4-biphenylacetic acid; CCRIS 3708; 51543-38-5; U 27182; 2-(2-Fluorobiphenyl-4-yl)propionic Acid; UNII-5GRO578KLP; EINECS 225-827-6; 5GRO578KLP; MFCD00079303; Stayban; Zepolas; Adfeed; 2-(2-FLUORO-[1,1'-BIPHENYL]-4-YL)PROPANOIC ACID; BTS 18,322; NSC-757037; (+-)-2-(2-Fluoro-4-biphenylyl)propionic acid; CHEBI:5130; DTXSID0037231; CHEMBL563; (+/-)-2-Fluoro-alpha-methyl-4-biphenylacetic acid; U-27,182; 2-(2-Fluoro-4-biphenylyl)propionic acid; MLS000040873; Fluriproben; DTXCID8017231; Flugalin; 4-Biphenylacetic acid, 2-fluoro-alpha-methyl-; 2-Fluoro-alpha-methyl-4-biphenylacetic acid; NSC685701; NSC 757037; Flurbiprofen [USAN:USP:INN:BAN:JAN]; Ocuflur; SMR000042823; (1,1'-Biphenyl)-4-acetic acid, 2-fluoro-alpha-methyl-, (+-)-; Flurbiprofene (INN-French); Flurbiprofenum (INN-Latin); Flurbiprofeno (INN-Spanish); FLURBIPROFEN (MART.); FLURBIPROFEN [MART.]; 2-fluoro--methyl-(1,1'-biphenyl)-4-acetic acid; FLURBIPROFEN (USP-RS); FLURBIPROFEN [USP-RS]; 2-(2-fluoro-[1,1'-biphenyl-4-yl])propanoic acid; (+/-)-2-(2-FLUORO-4-BIPHENYLYL)PROPIONIC ACID; Anmetarin; Yakuban; dl-Flurbiprofen; FLURBIPROFEN (EP MONOGRAPH); FLURBIPROFEN [EP MONOGRAPH]; [1,1'-Biphenyl]-4-acetic acid, 2-fluoro-a-methyl-, (A+/-)-; FLURBIPROFEN (USP MONOGRAPH); FLURBIPROFEN [USP MONOGRAPH]; (1,1'-Biphenyl)-4-acetic acid, 2-fluoro-alpha-methyl-, (+/-)-; Flurbiprofen (Ansaid); Flurbiprofen (USAN:USP:INN:BAN:JAN); Ansaid (TN); SR-01000003043; FLP; (R)-Flurbiprofen;MPC7869; 2-(2-fluoro-(1,1'-biphenyl-4-yl))propanoic acid; MPC7869; U 27,182; Flurbiprofen; (2RS)-2-(2-Fluorobiphenyl-4-yl)propanoic acid; Flurbiprofen O; (1,1'-Biphenyl)-4-acetic acid, 2-fluoro-alpha-methyl-; MKS-11; rac-Flurbiprofen; Flurbiprofen,(S); NCGC00016654-01; (+-)Flurbiprofen; CAS-5104-49-4; EINECS 257-262-6; L-790,330; Ocufen (Salt/Mix); [1,1'-Biphenyl]-4-acetic acid, 2-fluoro-?-methyl-; (1)-2-Fluoro-alpha-methyl(1,1'-biphenyl)-4-acetic acid; Flurbiprofen (NSAID); Spectrum_001096; Opera_ID_777; Prestwick0_000917; Prestwick1_000917; Prestwick2_000917; Prestwick3_000917; Spectrum2_001025; Spectrum3_000435; Spectrum4_000558; Spectrum5_000720; FLURBIPROFEN [MI]; 2-(3-fluoro-4-phenyl-phenyl)propanoic acid; F0371; (.+/-.)-Flurbiprofen; 2-Fluoro-alpha-methyl(1,1'-biphenyl)-4-acetic acid; FLURBIPROFEN [INN]; FLURBIPROFEN [JAN]; Antiphlamine Pain Relieving; FLURBIPROFEN [USAN]; SCHEMBL2248; FLURBIPROFEN [VANDF]; 4-Biphenylacetic acid, 2-fluoro-.alpha.-methyl-; BSPBio_000794; BSPBio_002050; KBioGR_001255; KBioSS_001576; MLS000028441; MLS000758198; MLS001201729; MLS001401361; MLS006011431; MLS006011931; DivK1c_000804; FLURBIPROFEN [WHO-DD]; SPECTRUM1500308; SPBio_001209; SPBio_002983; BPBio1_000874; GTPL4194; SCHEMBL10029029; Flurbiprofen (JP17/USP/INN); HMS502I06; KBio1_000804; KBio2_001576; KBio2_004144; KBio2_006712; KBio3_001270; SYTBZMRGLBWNTM-UHFFFAOYSA-; [1,1'-Biphenyl]-4-acetic acid, 2-fluoro-.alpha.-methyl-; M01AE09; M02AA19; R02AX01; S01BC04; NINDS_000804; FLURBIPROFEN [ORANGE BOOK]; HMS1570H16; HMS1920O20; HMS2051A05; HMS2090I06; HMS2091F21; HMS2097H16; HMS2232I08; HMS3259I12; HMS3268E10; HMS3370N14; HMS3371I05; HMS3393A05; HMS3414N17; HMS3649K11; HMS3655G19; HMS3678N15; HMS3714H16; Pharmakon1600-01500308; 2-FLUORO-[1,1'-BIPHENYL]-4-(ALPHA-METHYL)ACETIC ACID; BCP09086; BCP13426; Tox21_110547; Tox21_302353; BBL010980; BDBM50074922; CCG-40243; Flurbiprofen - CAS 5104-49-4; HB3049; NSC755404; NSC757037; STK802101; Flurbiprofen, cyclooxygenase inhibitor; AKOS004119934; AKOS016340701; AC-8106; CCG-100759; DB00712; KS-5035; MCULE-4306860727; NC00009; NC00563; NSC-685701; NSC-755404; 2(2-Fluoro-4-biphenylyl)propionic acid; IDI1_000804; NCGC00018157-03; NCGC00018157-04; NCGC00018157-05; NCGC00018157-08; NCGC00018157-11; NCGC00018157-13; NCGC00025287-03; NCGC00025287-04; NCGC00255457-01; HY-10582; NCI60_030812; 2 -(2-fluoro-4-biphenylyl)propionic acid; 2-(2-fluoro-4-biphenylyl)-propionic acid; 2-(2-fluoro-biphenyl-4-yl)propionic acid; SBI-0051387.P003; DB-051888; 2-(2-fluoro-biphenyl-4-yl)-propionic acid; AB00051999; NS00003058; alpha-methyl-2-fluoro-4-biphenylylacetic acid; (RS)-2-(2-fluorobiphenyl-4-yl)propionic acid; 2-Fluoro-.alpha.-methyl-4-biphenylacetic acid; BIM-0051387.0001; C07013; D00330; AB00051999-17; AB00051999_18; EN300-7479231; (2RS)-2-(2-Fluorobiphenyl-4-yl)propanoic acid; 2-(2-Fluoro-1,1'-biphenyl-4-yl)propanoic acid; 2-(2-Fluoro[1,1'-biphenyl]-4-yl)propanoic acid; AO-295/42284050; Q419890; (.+/-.)-2-(2-Fluoro-4-biphenylyl)propionic acid; (r/s)-2-fluoro-alpha-methyl-4-biphenylacetic acid; Flurbiprofen, Antibiotic for Culture Media Use Only; Q-201129; SR-01000003043-2; SR-01000003043-5; SR-01000003043-6; (S)-(+)-2-Fluoro-alpha-methyl-4-biphenylaceticacid; 2-(2-fluoro-[1,1''-biphenyl-4-yl])propanoic acid; 2-(2-Fluoro[1,1'-biphenyl]-4-yl)propanoic acid #; BRD-A86044036-001-05-9; SR-01000003043-14; (.+/-.)-2-Fluoro-.alpha.-methyl-4-biphenylacetic acid; 2-Fluoro-.alpha.-methyl(1,1'-biphenyl)-4-acetic acid; 2-fluoro-alpha-methyl-(1,1''-biphenyl)-4-acetic acid; 2-Fluoro-alpha-methyl-[1,1'-biphenyl]-4-a cetic acid; Z2216885233; (+/-)-2-FLUORO-.ALPHA.-METHYL-4-BIPHENYLACETIC ACID; Flurbiprofen, European Pharmacopoeia (EP) Reference Standard; Flurbiprofen, United States Pharmacopeia (USP) Reference Standard; [1,1'-Biphenyl]-4-acetic acid, 2-fluoro-.alpha.-methyl-, (.+/-.)-; (1,1'-BIPHENYL)-4-ACETIC ACID, 2-FLUORO-.ALPHA.-METHYL-, (+/-)-; Flurbiprofen, 2-(2-Fluorobiphenyl-4-yl)propionic acid, 3-Fluoro-4-phenylhydratropic acid; Flurbiprofen, Pharmaceutical Secondary Standard; Certified Reference Material; InChI=1/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)	244.26	C15H13FO2	37.3	286	4.2	18	1	3	3	InChI=1S/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)	CC(C1=CC(=C(C=C1)C2=CC=CC=C2)F)C(=O)O	CC(C1=CC(=C(C=C1)C2=CC=CC=C2)F)C(=O)O	SYTBZMRGLBWNTM-UHFFFAOYSA-N	2-(3-fluoro-4-phenylphenyl)propanoic acid
LDCM0081	Rofecoxib	5090	rofecoxib; 162011-90-7; Vioxx; Ceoxx; MK 966; 4-(4-(Methylsulfonyl)phenyl)-3-phenylfuran-2(5H)-one; refecoxib; Vioxx Dolor; MK-966; 4-[4-(methylsulfonyl)phenyl]-3-phenylfuran-2(5H)-one; MK-0966; MK0966; 4-[4-(methylsulfonyl)phenyl]-3-phenyl-2(5H)-furanone; MK 0966; rofecoxibum; 3-(4-methylsulfonylphenyl)-4-phenyl-2H-furan-5-one; CCRIS 8967; HSDB 7262; TRM-201; UNII-0QTW8Z7MCR; 0QTW8Z7MCR; NSC-720256; NSC-758705; CHEBI:8887; DTXSID2023567; M01AH02; MK966; 3-phenyl-4-[4-(methylsulfonyl)phenyl]-2(5H)-furanone; 4-(4-(Methylsulfonyl)phenyl)-3-phenyl-2(5H)-furanone; 4-(p-(Methylsulfonyl)phenyl)-3-phenyl-2(5H)-furanone; 3-Phenyl-4-(4-(methylsulfonyl)phenyl))-2(5H)-furanone; 2(5H)-Furanone, 4-[4-(methylsulfonyl)phenyl]-3-phenyl-; 4-(4-methanesulfonylphenyl)-3-phenyl-2,5-dihydrofuran-2-one; CHEMBL122; 4-(4-methylsulfonylphenyl)-3-phenyl-5H-furan-2-one; DTXCID903567; TRM201; NSC720256; NSC 720256; NSC 758705; 2(5H)-Furanone, 4-(4-(methylsulfonyl)phenyl)-3-phenyl-; NCGC00095118-01; ROFECOXIB (MART.); ROFECOXIB [MART.]; Vioxx (trademark); SMR000466331; Vioxx (TN); SR-01000762904; 3-phenyl-4-(4-(methylsulfonyl)phenyl)-2(5H)-furanone; Rofecoxib (JAN/USAN/INN); Rofecoxib [USAN:INN:BAN]; Rofecoxib (Vioxx); Rofecoxib [USAN]; KS-1107; MK 0996; Spectrum_000119; ROFECOXIB [INN]; ROFECOXIB [JAN]; SpecPlus_000669; ROFECOXIB [MI]; ROFECOXIB [HSDB]; Spectrum2_000446; Spectrum3_001153; Spectrum4_000631; Spectrum5_001598; ROFECOXIB [VANDF]; ROFECOXIB [WHO-DD]; SCHEMBL3050; BSPBio_002705; KBioGR_001242; KBioGR_002345; KBioSS_000559; KBioSS_002348; MLS000759440; MLS001165770; MLS001195623; MLS001424113; MLS006010091; BIDD:GT0399; DivK1c_006765; SPECTRUM1504235; SPBio_000492; 3-(4-methanesulfonylphenyl)-2-phenyl-2-buten-4-olide; GTPL2893; ROFECOXIB [ORANGE BOOK]; BDBM22369; KBio1_001709; KBio2_000559; KBio2_002345; KBio2_003127; KBio2_004913; KBio2_005695; KBio2_007481; KBio3_002205; KBio3_002825; EX-A708; cMAP_000024; HMS1922H11; HMS2051G16; HMS2089H20; HMS2093E04; HMS2232G21; HMS3371P11; HMS3393G16; HMS3651F16; HMS3713B07; HMS3750I17; HMS3885E05; Pharmakon1600-01504235; BCP03619; Tox21_111430; CCG-40253; MFCD00935806; NSC758705; s3043; STK635144; AKOS000280931; AB07701; CS-0997; DB00533; MCULE-4806636118; NC00132; SB19518; NCGC00095118-02; NCGC00095118-03; NCGC00095118-04; NCGC00095118-05; NCGC00095118-08; NCGC00095118-17; NCGC00095118-18; AC-28318; BR164362; HY-17372; NCI60_041175; SBI-0206774.P001; CAS-162011-90-7; NS00003940; R0206; SW219668-1; C07590; D00568; AB00052090-06; AB00052090-08; AB00052090_09; AB00052090_10; EN300-7364304; A810324; L000912; Q411412; Q-201676; SR-01000762904-3; SR-01000762904-5; BRD-K21733600-001-02-6; BRD-K21733600-001-06-7; 3-(4-methanesulfonyl-phenyl)-2-phenyl-2-buten-4-olide; 4-(4'-(Methylsulfonyl)phenyl)-3-phenyl-2(5H)-furanone; Z2037279770; 2(5H)-Furanone, 4-[4-(methyl-sulfonyl)phenyl]-3-phenyl-; 3-(Phenyl)-4-(4-(methylsulfonyl)phenyl)-2-(5H)-furanone; 3-Phenyl-4-(4-(Methylsulfonyl)Phenyl)-2-(5H)-Furanone; 4-(4-METHANESULFONYL-PHENYL)-3-PHENYL-5H-FURAN-2-ONE; 4-(4-methylsulfonylphenyl)-3-phenyl-2,5-dihydro-2-furanone	314.4	C17H14O4S	68.8	556	2.3	22	0	4	3	InChI=1S/C17H14O4S/c1-22(19,20)14-9-7-12(8-10-14)15-11-21-17(18)16(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3	CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=O)OC2)C3=CC=CC=C3	CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=O)OC2)C3=CC=CC=C3	RZJQGNCSTQAWON-UHFFFAOYSA-N	3-(4-methylsulfonylphenyl)-4-phenyl-2H-furan-5-one
LDCM0082	FK866	6914657	Daporinad; 658084-64-1; FK866; FK-866; APO-866; APO866; 201034-75-5; FK 866; Daporinad [INN]; (E)-N-(4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL)-3-(PYRIDIN-3-YL)ACRYLAMIDE; APO 866; (E)-N-[4-(1-benzoylpiperidin-4-yl)butyl]-3-pyridin-3-ylprop-2-enamide; (E)-Daporinad; FK866 hydrochloride hydrate; V71TF6V9M7; N-(4-(1-benzoylpiperidin-4-yl)butyl)-3-(pyridin-3-yl)acrylamide; K 22.175; (2E)-N-(4-(1-Benzoylpiperidin-4-yl)butyl)-3-(pyridin-3-yl)prop-2-enamide; (2E)-N-[4-(1-Benzoyl-4-piperidinyl)butyl]-3-(3-pyridinyl)-2-propenamide; 1198425-96-5; 2gvj; (2e)-N-{4-[1-(Benzenecarbonyl)piperidin-4-Yl]butyl}-3-(Pyridin-3-Yl)prop-2-Enamide; UNII-V71TF6V9M7; (2E)-N-[4-(1-benzoylpiperidin-4-yl)butyl]-3-(pyridin-3-yl)prop-2-enamide; C24H29N3O2; DGB; 4o1b; 4o1d; Daporinad (APO866); DAPORINAD [WHO-DD]; CHEMBL566757; GTPL7745; BDBM81395; CHEBI:94671; Daporinad(FK866,APO866)?; EX-A430; 2g97; CHEBI:187413; KPBNHDGDUADAGP-VAWYXSNFSA-N; Daporinad (FK866, APO866); DTXSID101026050; GLXC-04558; BCP01909; FD5006; MFCD10565943; n-[4-(1-benzoyl-4-piperidinyl)butyl]-3-(3-pyridinyl)-2e-propenamide; NSC760442; NSC777194; s2799; AKOS015994576; N-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]-3-(PYRIDIN-3-YL)PROP-2-ENAMIDE; BCP9000687; CCG-208012; DB12731; ES-0047; NSC 751605; NSC-760442; NSC-777194; NCGC00182868-04; NS00069346; A850039; A930135; EN300-24106674; BRD-K58550667-001-01-2; Q27076984; (E)-N-[4-(1-Benzoyl-piperidin-4-yl)-butyl]-3-pyridin-3-yl-acrylamide; (E)-N-[4-[1-(benzoyl)piperidin-4-yl]butyl]-3-pyridin-3-ylprop-2-enamide; 2-PROPENAMIDE, N-(4-(1-BENZOYL-4-PIPERIDINYL)BUTYL)-3-(3-PYRIDINYL)-, (2E)-; FK 866;(E)-N-(4-(1-benzoylpiperidin-4-yl)butyl)-3-(pyridin-3-yl)acrylamide; Nicotinamide Phosphoribosyltransferase Inhibitor, FK866 - CAS 658084-64-1; (2E)-N-[4-(1-Benzoyl-4-piperidinyl)butyl]-3-(3-pyridinyl)-2-propenamide; APO 866; K 22.175;; 658084-94-7	391.5	C24H29N3O2	62.3	534	3.7	29	1	3	8	InChI=1S/C24H29N3O2/c28-23(12-11-21-8-6-15-25-19-21)26-16-5-4-7-20-13-17-27(18-14-20)24(29)22-9-2-1-3-10-22/h1-3,6,8-12,15,19-20H,4-5,7,13-14,16-18H2,(H,26,28)/b12-11+	C1CN(CCC1CCCCNC(=O)/C=C/C2=CN=CC=C2)C(=O)C3=CC=CC=C3	C1CN(CCC1CCCCNC(=O)C=CC2=CN=CC=C2)C(=O)C3=CC=CC=C3	KPBNHDGDUADAGP-VAWYXSNFSA-N	(E)-N-[4-(1-benzoylpiperidin-4-yl)butyl]-3-pyridin-3-ylprop-2-enamide
LDCM0083	Avasimibe	166558	Avasimibe; 166518-60-1; CI-1011; 2,6-Diisopropylphenyl (2-(2,4,6-triisopropylphenyl)acetyl)sulfamate; ((2,4,6-Tris(1-methylethyl)phenyl)acetyl)sulfamic acid 2,6-bis(1-methylethyl)phenyl ester; Sulfamic acid, N-[2-[2,4,6-tris(1-methylethyl)phenyl]acetyl]-, 2,6-bis(1-methylethyl)phenyl ester; 28LQ20T5RC; CHEMBL101309; 2,6-Diisopropylphenyl (2-(2,4,6-triisopropylphenyl)-acetyl)sulfamate; MFCD00934956; [2,6-di(propan-2-yl)phenyl] N-[2-[2,4,6-tri(propan-2-yl)phenyl]acetyl]sulfamate; N-((2,6-Bis(1-methylethyl)phenoxy)sulfonyl)-2,4,6-tris(1-methylethyl)-benzeneacetamide; Avasimibe [USAN]; Avasimibe(CI-1011); SMR002530075; CI 1011; Avasimibe [USAN:INN]; UNII-28LQ20T5RC; PD 148515; Avasimibe,CI-1011; AVASIMIBE [INN]; AVASIMIBE [MI]; Avasimibe (USAN/INN); 2,6-Diisopropylphenyl ((2,4,6-triisopropylphenyl)acetyl)sulfamate; 2,6-diisopropylphenyl 2-(2,4,6-triisopropylphenyl)acetylsulfamate; Avasimibe (CI-1011); AVASIMIBE [WHO-DD]; N-((2,6-Bis(1-methylethyl)phenoxy)sulfonyl)-2,4,6-tris(1-methylethyl)benzeneacetamide; N-[(2,6-DIISOPROPYLPHENOXY)SULFONYL]-2-(2,4,6-TRIISOPROPYLPHENYL)ACETAMIDE; Avasimibe (CI-1011)?; BIDD:PXR0029; SCHEMBL15876; MLS006010422; MLS006010991; Avasimibe, >=98% (HPLC); DTXSID80168117; CHEBI:177719; HMS3655H08; HMS3866C13; BCP02302; EX-A2230; BDBM50069900; s2187; AKOS015913985; BCP9000344; CCG-269706; CS-5695; DB06442; SB19572; 2,6-bis(1-methylethyl)phenyl ((2,4,6-tris(1-methylethyl)phenyl)acetyl)sulfamate; Benzeneacetamide, N-((2,6-bis(1-methylethyl)phenoxy)sulfonyl)-2,4,6-tris(1-methylethyl)-; N-(2,6-DIPROPAN-2-YLPHENOXY)SULFONYL-2-(2,4,6-TRIPROPAN-2-YLPHENYL)ACETAMIDE; NCGC00346572-01; NCGC00346572-02; [[2,4,6-tris(1-methylethyl)phenyl]acetyl]-, 2,6-bis(1-methylethyl)phenyl ester] sulfamic acid; AC-35841; AS-74646; Avasimibe; CI-1011; PD-148515; HY-13215; PD-148515; NS00068604; SW219628-1; C73212; D03012; SR-01000944953; J-523295; SR-01000944953-1; Q27254327; [2,6-di(propan-2-yl)phenyl] N-[2-[2,4,6-tri(propan-2-yl)phenyl]acetyl]sulamate; [2-(2,4,6-Triisopropyl-phenyl)-acetyl]-sulfamic acid 2,6-diisopropyl-phenyl ester; 1-({[2,6-bis(propan-2-yl)phenoxy]sulfonyl}amino)-2-[2,4,6-tris(propan-2-yl)phenyl]ethan-1-one; CI-1011; PD 148515; [[2,4,6-tris(1-methylethyl)phenyl]acetyl]-, 2,6-bis(1-methylethyl)phenyl ester] sulfamic acid	501.7	C29H43NO4S	80.8	734	8.2	35	1	4	10	InChI=1S/C29H43NO4S/c1-17(2)22-14-25(20(7)8)27(26(15-22)21(9)10)16-28(31)30-35(32,33)34-29-23(18(3)4)12-11-13-24(29)19(5)6/h11-15,17-21H,16H2,1-10H3,(H,30,31)	CC(C)C1=C(C(=CC=C1)C(C)C)OS(=O)(=O)NC(=O)CC2=C(C=C(C=C2C(C)C)C(C)C)C(C)C	CC(C)C1=C(C(=CC=C1)C(C)C)OS(=O)(=O)NC(=O)CC2=C(C=C(C=C2C(C)C)C(C)C)C(C)C	PTQXTEKSNBVPQJ-UHFFFAOYSA-N	[2,6-di(propan-2-yl)phenyl] N-[2-[2,4,6-tri(propan-2-yl)phenyl]acetyl]sulfamate
LDCM0084	Ro 48-8071	1949	Ro 48-8071; 161582-11-2; [4-({6-[allyl(methyl)amino]hexyl}oxy)-2-fluorophenyl](4-bromophenyl)methanone; Ro-48-8071; Ro48-8071; YDR69X9Q9M; R048-8071; (4-bromophenyl)-[2-fluoro-4-[6-[methyl(prop-2-enyl)amino]hexoxy]phenyl]methanone; CHEMBL304858; (4-BROMOPHENYL)[3-FLUORO-4-[[6-(METHYL-2-PROPENYLAMINO)HEXYL]OXY]PHENYL]-METHANONE; 1gsz; (4-bromophenyl)[2-fluoro-4-({6-[methyl(prop-2-en-1-yl)amino]hexyl}oxy)phenyl]methanone; (4-[6-(allyl-methyl-amino)-hexyloxy]-2-fluoro-phenyl)-(4-bromo-phenyl)-methanone; [4-[6-(allyl-methyl-amino)-hexyloxy]-2-fluoro-phenyl]-(4-bromo-phenyl)-methanone; {4-[6-(Allyl-methyl-amino)-hexyloxy]-2-fluoro-phenyl}-(4-bromo-phenyl)-methanone; compound 2 [PMID: 22533316]; Methanone, (4-bromophenyl)[2-fluoro-4-[[6-(methyl-2-propenylamino)hexyl]oxy]phenyl]-,(2E)-2-butenedioate; UNII-YDR69X9Q9M; (4'-(6-Allylmethylaminohexyloxy)-2'-fluorophenyl)-4-(4-bromophenyl)methanone fumarate; GTPL6710; SCHEMBL3674881; DTXSID90870077; CHEBI:101064; CMYCCJYVZIMDFU-UHFFFAOYSA-N; HMS3649J22; HMS3743C21; BCP30557; BDBM50128065; AKOS025294639; CS-3518; DB02016; NCGC00165878-01; NCGC00165878-02; HY-18630; NS00018037; SR-01000946731; J-009841; SR-01000946731-1; Q27088590; N-allyl-6-(4-(4-bromobenzoyl)-3-fluorophenoxy)-N-methylhexan-1-aminium; (4-bromophenyl)-[2-fluoro-4-[6-(methyl-prop-2-enylamino)hexoxy]phenyl]methanone; (4-Bromophenyl)[2-fluoro-4-[[6-(methyl-2-propenylamino)hexyl]oxy]phenyl]methanone; [4-[6-[allyl(methyl)amino]hexoxy]-2-fluoro-phenyl]-(4-bromophenyl)methanone; Methanone, (4-bromophenyl)(2-fluoro-4-((6-(methyl-2-propenylamino)hexyl)oxy)phenyl)-; Methanone, (4-bromophenyl)[2-fluoro-4-[[6-(methyl-2-propen-1-ylamino)hexyl]oxy]phenyl]-; Ro 488071; Ro488071; Ro-488071; Ro 488071; Ro-488071	448.4	C23H27BrFNO2	29.5	468	6.1	28	0	4	12	InChI=1S/C23H27BrFNO2/c1-3-14-26(2)15-6-4-5-7-16-28-20-12-13-21(22(25)17-20)23(27)18-8-10-19(24)11-9-18/h3,8-13,17H,1,4-7,14-16H2,2H3	CN(CCCCCCOC1=CC(=C(C=C1)C(=O)C2=CC=C(C=C2)Br)F)CC=C	CN(CCCCCCOC1=CC(=C(C=C1)C(=O)C2=CC=C(C=C2)Br)F)CC=C	CMYCCJYVZIMDFU-UHFFFAOYSA-N	(4-bromophenyl)-[2-fluoro-4-[6-[methyl(prop-2-enyl)amino]hexoxy]phenyl]methanone
LDCM0085	WA	.	.	530.658	C30H42O8	122.66	530.2879683	2.9728	38	2	8	3	InChI=1S/C30H42O8/c1-14-11-21(37-26(34)15(14)2)16(3)19-12-24(36-17(4)31)29(35)20-13-25-30(38-25)23(33)8-7-22(32)28(30,6)18(20)9-10-27(19,29)5/h7-8,14-16,18-21,23-25,33,35H,9-13H2,1-6H3/t14?,15?,16-,18?,19?,20?,21+,23-,24-,25+,27+,28-,29+,30+/m0/s1	CC(=O)O[C@H]1CC([C@H](C)[C@H]2CC(C)C(C)C(=O)O2)[C@@]2(C)CCC3C(C[C@H]4O[C@]45[C@@H](O)C=CC(=O)[C@]35C)[C@@]12O	CC(=O)OC1CC(C(C)C2CC(C)C(C)C(=O)O2)C2(C)CCC3C(CC4OC45C(O)C=CC(=O)C35C)C12O	PGXQZNVHEMFOJJ-RNYRGHQFSA-N	.
LDCM0086	EN4	45917225	1197824-15-9; N-[2-(4-ethoxyphenoxy)phenyl]-4-[(prop-2-enoylamino)methyl]benzamide; EN4; 4-(acrylamidomethyl)-N-(2-(4-ethoxyphenoxy)phenyl)benzamide; N-[2-(4-ethoxyphenoxy)phenyl]-4-[(prop-2-enamido)methyl]benzamide; EN4 MYC inhibitor; EN4?; SCHEMBL21392882; EX-A4996; s9807; AKOS040759644; MCULE-7111494583; MS-27247; HY-134761; CS-0148701; G13836; EN300-1709066; Z786037886; N-[2-(4-ethoxyphenoxy)phenyl]-4-(prop-2-enamidomethyl)benzamide; Benzamide, N-[2-(4-ethoxyphenoxy)phenyl]-4-[[(1-oxo-2-propen-1-yl)amino]methyl]-; benzamide,n-(2-(4-ethoxyphenoxy)phenyl)-4-(((1-oxo-2-propen-1-yl)amino)methyl)-	416.5	C25H24N2O4	76.7	580	4.3	31	2	4	9	InChI=1S/C25H24N2O4/c1-3-24(28)26-17-18-9-11-19(12-10-18)25(29)27-22-7-5-6-8-23(22)31-21-15-13-20(14-16-21)30-4-2/h3,5-16H,1,4,17H2,2H3,(H,26,28)(H,27,29)	CCOC1=CC=C(C=C1)OC2=CC=CC=C2NC(=O)C3=CC=C(C=C3)CNC(=O)C=C	CCOC1=CC=C(C=C1)OC2=CC=CC=C2NC(=O)C3=CC=C(C=C3)CNC(=O)C=C	DKOWGKKELPCHEG-UHFFFAOYSA-N	N-[2-(4-ethoxyphenoxy)phenyl]-4-[(prop-2-enoylamino)methyl]benzamide
LDCM0087	Capsaicin	1548943	Capsaicin; 404-86-4; (E)-Capsaicin; Zostrix; CAPSAICINE; Qutenza; Styptysat; Axsain; trans-Capsaicin; Isodecenoic acid vanillylamide; Ausanil; E-CAPSAICIN; Mioton; NGX-4010; trans-8-Methyl-N-vanillyl-6-nonenamide; FEMA No. 3404; Dolenon; Ovocap; (E)-8-Methyl-N-vanillyl-6-nonenamide; Capzasin-hp; Caswell No. 158; Togarashi orenji; ALGRX 4975; C18H27NO3; Ratden pe 40; NCI-C56564; NSC 56353; Capsaicinoid; CCRIS 1588; CHEBI:3374; HSDB 954; Transacin; (e)-n-(4-hydroxy-3-methoxybenzyl)-8-methylnon-6-enamide; Zostrix HP; NGX-1998; EINECS 206-969-8; UNII-S07O44R1ZM; MFCD00017259; NSC-56353; (6E)-N-(4-hydroxy-3-methoxybenzyl)-8-methylnon-6-enamide; EPA Pesticide Chemical Code 070701; N-(4-Hydroxy-3-methoxybenzyl)-8-methylnon-trans-6-enamide; 8-Methyl-N-vanillyl-trans-6-nonenamide; BRN 2816484; S07O44R1ZM; DTXSID9020241; Capsaicin (JAN/USP); 6-Nonenamide, 8-methyl-N-vanillyl-, (E)-; NSC56353; ZOSTRIX (TN); Cntx-4975; (6E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enamide; (E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enamide; 6-Nonenamide, N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methyl-, (6E)-; DTXCID30241; 7553-53-9; ALGRX-4975; CHEMBL294199; 1217899-52-9; (E)-N-[(4-HYDROXY-3-METHOXYPHENYL)METHYL]-8-METHYL-6-NONENAMIDE; 6-Nonenamide, N-((4-hydroxy-3-methoxyphenyl)methyl)-8-methyl-, (E)-; Capsaicin [in oleoresin of capsicum]; N-(4-hydroxy-3-methoxybenzyl)-8-methylnon-6-enamide; trans-Capsaicin-d3; NCGC00017337-02; Capsaicin (USP:INN); Capsaicin [USP:INN]; 8-Methyl-N-vanillyl-(trans)-6-nonenamide; Capsaicin(E/Z-Mixture); (E)-N-((4-Hydroxy-3-methoxyphenyl)-methyl)-8-methyl-6-nonenamide; (E)-N-[(4-hydroxy-3-methoxy-phenyl)methyl]-8-methyl-non-6-enamide; 6-Nonenamide, (E)-N-((4-hydroxy-3-methoxy-phenyl)methyl)-8-methyl; 6-Nonenamide, N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methyl-, (E)-; CAPSAICIN (MART.); CAPSAICIN [MART.]; CAPSAICIN (USP-RS); CAPSAICIN [USP-RS]; Capsaicin [USAN]; CAPSAICIN (USP MONOGRAPH); CAPSAICIN [USP MONOGRAPH]; Capsicine; Zacin; Capsaicin Patch; Capsaicin (in oleoresin of capsicum); (6E)-N-{[4-hydroxy-3-(methyloxy)phenyl]methyl}-8-methylnon-6-enamide; 6-Nonenamide, N-((4-hydroxy-3-methoxyphenyl)methyl)-8-methyl-, (6E)-; NGX 4010; 8-Methyl-N-Vanillyl-6-Nonenamide; SR-05000001861; capsaicinum; neurotoxic; Capsaicina; Isodecenoate; Zucapsaicin;Civamide;cis-Capsaicin; Capsacin; Capsimide; N-[(4-Hydroxy-3-methoxyphenyl)methyl]-8-methyl-6-nonenamide; Neuriterx; Neuritrx; Adlea; Awaye; 8-Methyl-N-vanillyl-6-nonenamide, (E)-; BioMega; TNP00277; Ageranium Patch; Capsaicin Cream; Capsaicin Heat; Castiva Warming; Guardania Pain; Medicated Heat; Rugby Capsaicin; (E)-N-[(4-Hydroxy-3-methoxyphenyl)-methyl]-8-methyl-6-nonenamide; Satogesic Hot; MediRelief Hot; SprayPain Away; epsilon-capsaicin; Pure Relief; CVS Capsaicin; Painazin CP; Bio-Sorb; capsacin(E); Capsaicin Extract; NobleAid CapsAid; Qutenza;Vanilloid; Melt Pain Away; Red Hot; PainBloc24; Capsaicin,(S); Nufabrx Back Wrap; Nufabrx Neck Wrap; Gellert Joint Care; Nufabrx Arm Sleeve; 4DY; CAS-404-86-4; Omega 3; Prestwick_204; CVS Roll-On; Nufabrx Calf Sleeve; Nufabrx Knee Sleeve; Capsaicin (Natural); Capsaicin 0.15; Capsaisin 0.1%; depletes Substance P; LivReliefPain Relief; CAPSAISIN; CAPZIX; Nufabrx Ankle Sleeve; Nufabrx Wrist Sleeve; REZIL; FlexxSonicPain Relief; Hot SpotPoint Relief; Capsaicin 0.05%; Capsaicin 0.15%; Capsaicin 0.25%; Capsaicin Pain Relief; Rugby Capsaicin Cream; capsaicin 0.075%; LEADER CAPSAICIN; MEIJER CAPSAICIN; A2A ARTHRITIS; Coralite Medicated Heat; HOT PAIN RELIEF; RETADOLORPain Relief; Sure Relief SR Relief; Sure Result SR Relief; Walgreens Capsaicin Hot; starbld0019180; Campo pharma Muscle hot; CAPSAICIN [INN]; CAPSAICIN [JAN]; Capsaicin 0.1 Percent; CAPSAICIN [MI]; 6-Nonenamide, (E)-; EQUI-BLOCKORIGINAL; CAPSAICIN [HSDB]; Nufabrx Lower Leg Sleeve; Prestwick2_000879; Prestwick3_000879; Spectrum5_000538; Zostrix Original Strength; CAPSAICIN [VANDF]; CAPSAICIN, NATURAL; CapsaicinTopical Analgesic; QC Arthritis Pain Relief; SCREAMIN HOT TOAST; Wellness Products VictoRx; CapsaicinExternal Analgesic; Medicated Compression Sock; N-((4-Hydroxy-3-methoxyphenyl)methyl)-8-methyl-6-nonenamide, (E)-; Nufabrx Foot/Ankle Sleeve; Nufabrx Hand/Wrist Sleeve; Wellness Products J-FLEX; CVS Medicated Heat 1 ct; SINSINPAS HOT LARGE; 2-Count HEAT PATCHES; UPCMLD-DP092; Capsaicin 0.075 Percent; EQUI-BLOCKDT FORMULA; CAPSAICIN [WHO-DD]; SCHEMBL8085; SCHEMBL8086; CANNAVERA PAIN RELIEF; CAPSAICIN HOT PATCHES; EARTHS CARE ARTHRITIS; MR3H3; Revlex Arthritis Pain Relief; Solstice Capsaicin Patch Hot; BSPBio_000957; BSPBio_001548; BSPBio_002917; CAPSAICIN [EMA EPAR]; CareALL Arthritis and Muscle; RITE AID CAPSICUM HOT; MLS002154049; N-((4-Hydroxy-3-methoxyphenyl)methyl)-8-methyl-6-nonenamide; ASTRAPHARM CHILLI BRAND; Capsaicin from Capsicum annuum; Capsaicin, analytical standard; SPECTRUM1501128; WellPatch Warming Pain Relief; BRONSON SOOTHE Pain Relief; FYZICAL SPORTS Pain Relief; Nufabrx Medicine Infused Socks; Rugby Arthritis Pain Relieving; 6-Nonenamide, N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methyl-; Nufabrx Lower Leg Sleeve M/L; BPBio1_001053; Equate Capsaicin Pain Relieving; GTPL2486; HURT BLOCKER PROPain Relief; MEGxp0_001448; CAPSAICIN [ORANGE BOOK]; Nufabrx Lower Leg Sleeve XS/S; 6-Nonenamide, N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methyl-, (6Z)-; Good Neighbor Pharmacy Capsaicin; UPCMLD-DP092:001; UPCMLD-DP092:002; BDBM20461; BDBM86537; Better Nature Pain Relief BalmX; CHEBI:94524; Fast Arthritis AidPain Relieving; HMS501B16; Rugby CapsaicinExternal Analgesic; Sherman and Clark Pain Relieving; Family Care Arthritis Pain Relief; Nufabrx Lower Leg Sleeve XL/XXL; Capsaicin 0.025% Topical Patch; Capzasin HP Arthritis Pain Relief; HMS1361N10; HMS1570P19; HMS1791N10; HMS1921H11; HMS1989N10; HMS2089N11; HMS2092D21; HMS2097P19; HMS2230O23; HMS3402N10; HMS3414F11; HMS3649N15; HMS3678F11; Penetrex(r) Arthritis Pain Relief; Pharmakon1600-01501128; Pure ReliefPenetrating Pain Relief; Capsaicin HP Arthritis Pain Relief; Frankie Avalons Zero Pain Roll On; Leader Capsaicin Pain Relief Cream; 8-Methyl-N-vanillyl-6E-nonenamide; AMY25669; beeRX Muscle and Joint Pain Relief; CVS Capsaicin arthritis pain relief; DCH Arthritis Pain Relief Roll-On; NGX-3781; NGX-7325; NSC_2548; Miracle Plus OvernightPain Relieving; Tox21_110817; Tox21_200315; BBL027836; CCG-39657; CCG-39908; EI-125; HB1179; HY-10448A; LMFA08020085; NSC757844; s1990; STL372889; Toplast Hot Capsaicin 0.025percent; Nufabrx Medicine Infused Ankle Sleeve; (E)8-methyl-N-vanillyl-6-Nonenamide; AKOS007930159; AVON HeXashield Arthritis Pain Relief; Zostrix High Potency Foot Pain Relief; (6E)-N-; CS-1518; DB06774; FYZICAL SPORTS Pain Relief 2 MILD; KS-5181; NSC-757844; SDCCGMLS-0066678.P001; TQ-1018; Capsaicin 10 microg/mL in Acetonitrile; Capsaicin, >=95%, from Capsicum sp.; Dr. Harveys Herbal Motion Pain Formula; IDI1_000354; IDI1_034018; SMP2_000337; NCGC00017337-03; NCGC00017337-04; NCGC00017337-05; NCGC00017337-06; NCGC00017337-07; NCGC00017337-08; NCGC00017337-09; NCGC00017337-10; NCGC00017337-11; NCGC00017337-12; NCGC00017337-13; NCGC00017337-17; NCGC00017337-18; NCGC00090853-01; NCGC00090853-02; NCGC00090853-03; NCGC00090853-04; NCGC00090853-06; NCGC00090853-07; NCGC00090853-08; NCGC00090853-09; NCGC00090853-10; NCGC00090853-11; NCGC00090853-12; NCGC00257869-01; USEPA/OPP Pesticide Code: 070701; AC-10114; CAPSAICIN HEAT PATCHES PAIN RELIEF; CAS_404-86-4; HY-10448; LS-14673; SMR000718774; CAPSAICIN (CONSTITUENT OF CAPSICUM); SBI-0052593.P002; Dusel Warm Arthritis Dead Sea Salt Therapy; CS-0181240; Good Neighbor Capsaicin Heat Patch for Back; M1149; NS00004284; (E)-8-Methyl-N-vanillyl-6-nonenamide(8cl); C-1700; C06866; D00250; Rugby Arthritis Pain RelievingTopical Analgesic; AB00053098-11; AB00053098_12; ASTRAPHARM CHILLI BRAND EXTERNAL MEDICATED; Capsaicin, from Capsicum sp., >=50% (HPLC); EN300-7544118; 826 - Capsaicin and heat units in chilli powder; CAPSAICIN (CONSTITUENT OF CAPSICUM) [DSC]; CAPSAICIN HEAT PATCHES BACK AND LARGE AREAS; Q273169; AVON HeXashield Arthritis Pain ReliefCream Capsaisin; Hempvana Ultra Strength Pain Relief Cream-Deep Heat; SR-05000001861-1; SR-05000001861-4; SR-05000001861-5; SR-05000001861-6; SR-05000001861-9; Walgreens Arthritis Pain Relief Capsaicin Analgesic; BRD-K37056290-001-01-1; BRD-K50590187-001-06-6; Capsaicin, certified reference material, TraceCERT(R); Flavor and Extract Manufacturers' Association No. 3404; Capsaicin, European Pharmacopoeia (EP) Reference Standard; (6E)-N-(4-Hydroxy-3-methoxybenzyl)-8-methyl-6-nonenamide #; Capsaicin, United States Pharmacopeia (USP) Reference Standard; Capsaicin; 8-Methyl-N-vanillyl-trans-6-nonenamide; NGX-4010; N-[(4-hydroxy-3-methoxyphenyl)methyl]-6E-8-methyl-nonenamide; N-(4-HYDROXY-3-METHOXYBENZYL)-8-METHYL-6-NONENAMIDE [FHFI]; trans-N-((4-Hydroxy-3-methoxyphenyl)methyl)-8-methyl-6-nonenamide; 6-nonenamide,n-((4-hydroxy-3-methoxyphenyl)methyl)-8-methyl-,(6e)-; Capsaicin, Pharmaceutical Secondary Standard; Certified Reference Material	305.4	C18H27NO3	58.6	341	3.6	22	2	3	9	InChI=1S/C18H27NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h6,8,10-12,14,20H,4-5,7,9,13H2,1-3H3,(H,19,21)/b8-6+	CC(C)/C=C/CCCCC(=O)NCC1=CC(=C(C=C1)O)OC	CC(C)C=CCCCCC(=O)NCC1=CC(=C(C=C1)O)OC	YKPUWZUDDOIDPM-SOFGYWHQSA-N	(E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enamide
LDCM0088	C45	.	.	217.316	C13H19N3	42.98	217.1578976	2.0571	16	2	3	5	InChI=1S/C13H19N3/c1-2-9-16-10-11(7-8-15-14)12-5-3-4-6-13(12)16/h3-6,10,15H,2,7-9,14H2,1H3	CCCn1cc(CCNN)c2ccccc21	CCCn1cc(CCNN)c2ccccc21	GPAOFTUNSNGLFJ-UHFFFAOYSA-N	.
LDCM0089	C30	407448	naphthalen-2-ylhydrazine; 2243-57-4; 2-naphthylhydrazine; NAPHTHALEN-2-YL-HYDRAZINE; (naphthalen-2-yl)hydrazine; (2-Naphthalenyl)hydrazine; ss-Naphthylhydrazin; beta-naphthylhydrazine; ?2-Naphthylhydrazine; 1-(2-Naphthyl)hydrazine; Naphthalene, 2-hydrazino-; 1-(2-Naphthyl)hydrazine #; SCHEMBL526498; DTXSID101034443; MFCD00486012; STK005798; AKOS000200818; MCULE-5531423055; SB35581; FAROPENEMSODIUMSALTHEMIPENTAHYDRATE; CS-0216113; EN300-33896; F21338; A816203	158.2	C10H10N2	38	147	2.7	12	2	2	1	InChI=1S/C10H10N2/c11-12-10-6-5-8-3-1-2-4-9(8)7-10/h1-7,12H,11H2	C1=CC=C2C=C(C=CC2=C1)NN	C1=CC=C2C=C(C=CC2=C1)NN	VNICRWVQYFRWDK-UHFFFAOYSA-N	naphthalen-2-ylhydrazine
LDCM0090	Rapamycin	5284616	(-)-Rapamycin; 53123-88-9; AY 22989; AY-22989; I 2190A; I-2190A; I2190A; NSC 226080; RAPA; Rapammune; Rapamune; Rapamycin; SIIA 9268A; Sirolimus; Wy 090217; rapalimus; Supralimus; WY-090217; HYFTOR; sirolimusum; Cypher; Rapamycin (Sirolimus); Antibiotic AY 22989; Rapamycin (GMP); FYARRO; CCRIS 9024; CHEBI:9168; SILA 9268A; W36ZG6FT64; HSDB 7284; L04AA10; Npc-12g; Rapamycin (GMP Like); SM-88 COMPONENT SIROLIMUS; DE-109; NSC-226080; UNII-W36ZG6FT64; DTXSID5023582; MFCD00867594; Rapamycin Immunosuppressant Drug; NAB-RAPAMYCIN COMPONENT RAPAMYCIN; Rapamycin (>85%); SIROLIMUS (MART.); SIROLIMUS [MART.]; EC 610-965-5; SIROLIMUS (USP-RS); SIROLIMUS [USP-RS]; NSC226080; (1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,18-dihydroxy-12-{(2S)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl}-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.0(4,9)]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone; (3S,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,34aS)-9,27-dihydroxy-3-{(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl}-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-hexadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,5,11,28,29(4H,6H,31H)-pentone; EVEROLIMUS IMPURITY A (EP IMPURITY); EVEROLIMUS IMPURITY A [EP IMPURITY]; (3S,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,34aS)-9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-Hexadecahydro-9,27-dihydroxy-3-((1R)-2-((1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl)-1-methylethyl)-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-23,27-epoxy-3H-pyrido(2,1-c)(1,4)oxaazacyclohentriacontine-1,5,11,28,29(4H,6H,31H)-pentone; DTXCID503582; Perceiva; 1fkb; 1pbk; NCGC00021305-05; Rapamycin/Sirolimus; LCP-Siro; (1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,18-dihydroxy-12-((2S)-1-((1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl)propan-2-yl)-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo(30.3.1.0(4,9))hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone; (3S,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,34aS)-9,27-dihydroxy-3-((2R)-1-((1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl)propan-2-yl)-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-hexadecahydro-3H-23,27-epoxypyrido(2,1-c)(1,4)oxazacyclohentriacontine-1,5,11,28,29(4H,6H,31H)-pentone; (3S,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,34aS)-9,27-dihydroxy-3-{(1R)-2-[(1S,3R,4R)-4-hydroxy-3-(methyloxy)cyclohexyl]-1-methylethyl}-6,8,12,14,20,26-hexamethyl-10,21-bis(methyloxy)-9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-hexadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,5,11,28,29(6H,31H)-pentone; RAP; RPM; S1039; Rapamycin (Sirolimus)?; SIROLIMUS [INN]; SIROLIMUS [JAN]; RAPAMYCIN [MI]; Human Blood - Sirolimus; SIROLIMUS [HSDB]; SIROLIMUS [USAN]; SIROLIMUS [VANDF]; BiomolKI2_000084; SCHEMBL3463; SIROLIMUS [WHO-DD]; Rapamycin,Sirolimus,Rapamune; BIDD:PXR0165; SIROLIMUS [EMA EPAR]; 23,27-Epoxy-3H-pyrido[2,1-c][1,4]oxaazacyclohentriacontine; MLS006010168; Sirolimus [USAN:INN:BAN]; GTPL6031; SIROLIMUS [ORANGE BOOK]; BDBM36609; MS-R001; S01XA23; HMS2089A21; HMS3403F11; HMS3884C03; HY-10219GL; EX-A1044; AC-722; BDBM50064359; HY-10219G; STL570275; AKOS015850976; AKOS015961618; CCG-100684; CS-0063; DB00877; NCGC00021305-06; NCGC00021305-07; Rapamycin from Streptomyces hygroscopicus; AS-11687; HY-10219; SMR004701276; Fyarro (sirolimus albumin-bound particles); UNM-0000358684; A-275; CS-0626126; CS-1010374; R0097; Rapamycin, VETRANAL(TM), analytical standard; M02444; Q32089; Q-201659; BRD-K84937637-001-04-0; BRD-K84937637-001-06-5; BRD-K89626439-001-01-0; Z2568665260; 24,25,26,27,32,33,34,34a-hexadecahydro-3H-23,27-epoxypy; Rapamycin from Streptomyces hygroscopicus, >=95% (HPLC), powder; Rapamycin from Streptomyces hygroscopicus, Vetec(TM) reagent grade, >=95%; (1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,18-Dihydroxy-12-((1R)-2-((1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl)-1-methylethyl)-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo(30.3.1.04,9)hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentaone; (1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,18-Dihydroxy-12-{(2S)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl}-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone; (3 S ,6 R ,7 E ,9 R ,10 R ,12 R ,14 S ,15 E ,17 E , 19 E ,21 S ,23 S ,26 R ,27 R ,34a S )-9,10,12,13,14,21,22,23,24,25,26,27,32,33,34, 34a-hexadecahydro-9,27-dihydroxy-3-; (3S,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,34 aS)-9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-Hex adecahydro-9,27-dihydroxy-3-[(1R)-2-[(1S,3R,4R)-4-hydro xy-3-methoxycyclohexyl]-1-methylethyl]-10,21-dimethoxy- 6,8,12,14,20,26-hexamethyl-23,27-ep; (3S,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,34aS)-4,9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-heptadecahydro-9,27-dihydroxy-3-[(1R)-2-[(1S,3,4R)-4-hydroxy-3-methoxycyclohexyl]-1-methylethyl]-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-223,27-Epoxy-3H-pyrido[2,1-c][1,4]oxaazacyclohentriacontine-1,5,11,28,29(6H,31H)-pentone; (3S,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,34aS)-9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-Hexadecahydro-9,27-dihydroxy-3-[(1R)-2-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-1-methylethyl]-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-23,27-ep; (3S,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,34aS)-9,27-dihydroxy-3-{(1R)-2-[(1S,3R,4R)-4-hydroxy-3-(methyloxy)cyclohexyl]-1-methylethyl}-6,8,12,14,20,26-hexamethyl-10,21-bis(methyloxy)-9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-hexadecahydro; (3S,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,34aS)-9,27-dihydroxy-3-{(1R)-2-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-1-methylethyl}-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-hexadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,5,11,28,29(4H,6H,31H)-pentone; (3S,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,34aS)-9,27-dihydroxy-3-{1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl}-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-9,10,12,13,14,21,22,23,; 1,18-Dihydroxy-12-[2-(4-hydroxy-3-methoxy-cyclohexyl)-1-methyl-ethyl]-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-aza-tricyclo[30.3.1.0*4,9*]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentaone (Rapamycin); 9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-Hexadecahydro-9,27-dihydroxy-3-((1R)-2-((1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl)-1-methylethyl)-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-23,27-epoxy-3H-pyrido(2,1-c)(1,4)oxaazacyclohentriacontine-1,5,11,2	914.2	C51H79NO13	195	1760	6	65	3	13	6	InChI=1S/C51H79NO13/c1-30-16-12-11-13-17-31(2)42(61-8)28-38-21-19-36(7)51(60,65-38)48(57)49(58)52-23-15-14-18-39(52)50(59)64-43(33(4)26-37-20-22-40(53)44(27-37)62-9)29-41(54)32(3)25-35(6)46(56)47(63-10)45(55)34(5)24-30/h11-13,16-17,25,30,32-34,36-40,42-44,46-47,53,56,60H,14-15,18-24,26-29H2,1-10H3/b13-11+,16-12+,31-17+,35-25+/t30-,32-,33-,34-,36-,37+,38+,39+,40-,42+,43+,44-,46-,47+,51-/m1/s1	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)O)C)C)O)OC)C)C)C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N	(1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,18-dihydroxy-12-[(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl]-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone
LDCM0091	Astemisinin	9838675	Astemisinin; Qing Hau Sau; 63968-64-9; Artemisinin,(S); NSC-369397; Artemisinin, 18; SCHEMBL60303; CHEMBL567597; BDBM36349; BLUAFEHZUWYNDE-DKGJTOOQSA-N; CID452191; AKOS015894973; (1S,4S,5R,8S,9R,12S,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-one	282.33	C15H22O5	54	452	2.8	20	0	5	0	InChI=1S/C15H22O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8-11,13H,4-7H2,1-3H3/t8-,9-,10+,11+,13-,14+,15-/m1/s1	C[C@@H]1CC[C@H]2[C@H](C(=O)O[C@H]3[C@@]24[C@H]1CC[C@@](O3)(OO4)C)C	CC1CCC2C(C(=O)OC3C24C1CCC(O3)(OO4)C)C	BLUAFEHZUWYNDE-DKGJTOOQSA-N	(1S,4S,5R,8S,9R,12S,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-one
LDCM0092	Amine 8	.	.	342.399	C18H22N4O3	84.3	342.1691906	1.8181	25	1	7	6	InChI=1S/C18H22N4O3/c1-21-9-12(4-7-17(21)23)18-20-15-6-5-13(19)8-16(15)22(18)14(10-24-2)11-25-3/h4-9,14H,10-11,19H2,1-3H3	COCC(COC)n1c(-c2ccc(=O)n(C)c2)nc2ccc(N)cc21	COCC(COC)n1c(-c2ccc(=O)n(C)c2)nc2ccc(N)cc21	RNTJYPPCMDEFAA-UHFFFAOYSA-N	.
LDCM0093	CY-5	14413051	SCHEMBL22721784	160.17	C10H8O2	26.3	222	1.6	12	0	2	2	InChI=1S/C10H8O2/c1-12-8-4-2-7(3-5-8)9-6-10(9)11/h2-6H,1H3	COC1=CC=C(C=C1)C2=CC2=O	COC1=CC=C(C=C1)C2=CC2=O	MSMSULYFCIEBSF-UHFFFAOYSA-N	2-(4-methoxyphenyl)cycloprop-2-en-1-one
LDCM0094	SZU002	.	.	365.517	C24H31NO2	46.17	365.2354792	4.6	27	1	2	4	InChI=1S/C24H31NO2/c1-6-7-13-25-22(27)24(5)12-8-11-23(4)19-10-9-17(16(2)3)14-18(19)20(26)15-21(23)24/h1,9-10,14,16,21H,7-8,11-13,15H2,2-5H3,(H,25,27)/t21-,23-,24-/m1/s1	[H][C@@]12CC(=O)c3cc(C(C)C)ccc3[C@@]1(C)CCC[C@@]2(C)C(=O)NCCC#C	[H]C12CC(=O)c3cc(C(C)C)ccc3C1(C)CCCC2(C)C(=O)NCCC#C	AABSBZBKHSBTML-GMKZXUHWSA-N	.
LDCM0095	DC-LC3IN-D5	162641047	DC-LC3in-D5; 2868312-73-4; MS-26700; HY-141882; CS-0312206	397.3	C19H22Cl2N2O3	62.1	561	2.4	26	1	5	5	InChI=1S/C19H22Cl2N2O3/c20-16-3-1-2-14(19(16)21)13-10-17(24)15(18(25)11-13)12-22-4-5-23-6-8-26-9-7-23/h1-3,12-13,24H,4-11H2	C1COCCN1CCN=CC2=C(CC(CC2=O)C3=C(C(=CC=C3)Cl)Cl)O	C1COCCN1CCN=CC2=C(CC(CC2=O)C3=C(C(=CC=C3)Cl)Cl)O	IYDBJXOPTZDWCZ-UHFFFAOYSA-N	5-(2,3-dichlorophenyl)-3-hydroxy-2-(2-morpholin-4-ylethyliminomethyl)cyclohex-2-en-1-one
LDCM0096	SAHA	15758207	CHEMBL4061138	208.21	C10H12N2O3	78.4	225	-0.2	15	3	3	4	InChI=1S/C10H12N2O3/c13-9(6-7-10(14)12-15)11-8-4-2-1-3-5-8/h1-5,15H,6-7H2,(H,11,13)(H,12,14)	C1=CC=C(C=C1)NC(=O)CCC(=O)NO	C1=CC=C(C=C1)NC(=O)CCC(=O)NO	ZOZAGABBONSMOY-UHFFFAOYSA-N	N'-hydroxy-N-phenylbutanediamide
LDCM0097	Dasatinib	3062316	Dasatinib; 302962-49-8; Sprycel; BMS-354825; Dasatinib anhydrous; BMS 354825; Dasatinib (anhydrous); BMS354825; dasatinibum; N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE; anh. dasatinib; N-(2-chloro-6-methylphenyl)-2-((6-(4-(2-hydroxyethyl)piperazin-1-yl)-2-methylpyrimidin-4-yl)amino)thiazole-5-carboxamide; N-(2-chloro-6-methylphenyl)-2-(6-(4-(2-hydroxyethyl)piperazin-1-yl)-2-methylpyrimidin-4-ylamino)thiazole-5-carboxamide; anhydrous dasatinib; Dasatinib (BMS-354825); dasatinib (anh.); N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide; BMS Dasatinib; UNII-X78UG0A0RN; X78UG0A0RN; DTXSID4040979; CHEBI:49375; NSC732517; NSC-759877; CHEMBL1421; DTXCID2020979; BMS-354825 HYDRATE; BMS 345825; NSC-732517; 5-Thiazolecarboxamide, N-(2-chloro-6-methylphenyl)-2-((6-(4-(2-hydroxyethyl)-1-piperazinyl)-2-methyl-4-pyrimidinyl)amino)-; 5-Thiazolecarboxamide, N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)-1-piperazinyl]-2-methyl-4-pyrimidinyl]amino]-; NCGC00181129-01; BMS 35482513; BMS-354825-03; UNII-RBZ1571X5H; CHEBI:70839; C22H26ClN7O2S; DTXSID50235486; n-(2-chloro-6-methylphenyl)-2-((6-(4-(2-hydroxyethyl)piperazin-1-yl)-2-methylpyrimidin-4-yl)amino)-1,3-thiazole-5-carboxamide; SMR002529551; CAS-302962-49-8; NSC 759877; 302962-49-8 pound not863127-77-9; Dasatinib [USAN:INN]; 1N1; Kinome_3650; Dasatinib (JAN/INN); DASATINIB [INN]; DASATINIB [MI]; Sprycel (Bristol Meyers); DASATINIB [WHO-DD]; SCHEMBL8226; Dasatinib,BMS-354825; MLS003915609; MLS004774145; MLS006010904; GTPL5678; BDBM13216; cid_3062316; Dasatinib (BMS-354825)?; DTXCID50157977; EX-A401; L01XE06; 5-Thiazolecarboxamide, monohydrate; BCPP000263; HMS2043N05; HMS3244A05; HMS3244A06; HMS3244B05; HMS3265C19; HMS3265C20; HMS3265D19; HMS3265D20; HMS3654K05; HMS3744C11; Pharmakon1600-01502275; BCP01797; Tox21_112736; MFCD11046566; NSC759877; NSC800087; s1021; AKOS015902363; Tox21_112736_1; BCP9000589; CCG-264779; CS-0100; DB01254; GS-6548; NSC-800087; SB17284; NCGC00181129-02; NCGC00181129-03; NCGC00181129-05; NCGC00181129-06; NCGC00181129-07; NCGC00181129-12; NCGC00181129-14; NCGC00181129-22; NCGC00481571-01; 2-(6-(4-(2-hydroxyethyl)piperazin-1-yl)-2-methylpyrimidin-4-ylamino)-N-(2-chloro-6-methylphenyl)thiazole-5-carboxamide; AC-22749; BCB03_000715; HY-10181; N-(2-chloro-6-methyl-phenyl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methyl-pyrimidin-4-yl]amino]thiazole-5-carboxamide; AM20080877; D5949; NS00001968; PA-3062316; SW208076-5; D-3307; D03658; EN300-123025; AB01273956-01; AB01273956-02; AB01273956_03; AR-270/43507994; Q419940; SR-00000000554; Q-101345; SR-00000000554-5; BRD-K49328571-001-05-1; BRD-K49328571-001-07-7; Z1546610486; N-(2-chloro-6-methylphenyl)-2-({6-[4-(2-hydroxyethyl)-1-piperazinyl]-2-methyl-4-pyrimidinyl}amino)-1,3-thiazole-5-carboxamide; N-(2-Chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)-1-piperazinyl)]-2-methyl-4-pyrimidinyl]amino)]-1,3-thiazole-5-carboxamide	488	C22H26ClN7O2S	135	642	3.6	33	3	9	7	InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	ZBNZXTGUTAYRHI-UHFFFAOYSA-N	N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide
LDCM0098	Propranolol	91536	4199-09-1; (S)-propranolol; Propranolol, L-; (-)-propranolol; 1-(Isopropylamino)-3-(1-naphthyloxy)-2-propanol; Levopropranolol; (-)-propanolol; s-(-)-propranolol; (2S)-1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol; 74MLR03FLC; (S)-1-(Isopropylamino)-3-(naphthyloxy)propan-2-ol; CHEMBL452861; (S)-1-(isopropylamino)-3-(naphthalen-1-yloxy)propan-2-ol; l-propranolol; (2S)-1-(naphthalen-1-yloxy)-3-[(propan-2-yl)amino]propan-2-ol; s-propranolol; 1-propranolol; 2-Propanol, 1-[(1-methylethyl)amino]-3-(1-naphthalenyloxy)-, (S)-; propranolol-(S); 2-PROPANOL, 1-((1-METHYLETHYL)AMINO)-3-(1-NAPHTHALENYLOXY)-, (S)-; propranolol (S-); EINECS 224-095-5; S-(-)-propanolol; Tocris-0834; (-)-(S)-Propranolol; Prestwick0_001081; Prestwick1_001081; Prestwick2_001081; Prestwick3_001075; Prestwick3_001081; (2S)-PROPRANOLOL; GTPL63; UNII-74MLR03FLC; SCHEMBL3956; PROPRANOLOL, (S)-; Lopac0_001023; BSPBio_001040; BSPBio_001090; BSPBio_001122; KBioGR_000380; KBioSS_000380; SPBio_003021; BPBio1_001200; BPBio1_001236; BCBcMAP01_000208; KBio2_000380; KBio2_002948; KBio2_005516; KBio3_000739; KBio3_000740; DTXSID90873366; Bio2_000360; Bio2_000840; HMS1362D21; HMS1792D21; HMS1990D21; HMS2089B07; BDBM50246936; PDSP1_000768; PDSP2_000756; AKOS040768709; CCG-205103; SDCCGSBI-0050996.P004; IDI1_002115; NCGC00024813-01; NCGC00024813-02; NCGC00024813-03; NCGC00024813-04; NCGC00024813-05; NCGC00024813-06; NCGC00024813-07; NCGC00024813-08; NCGC00024813-16; NCGC00024813-17; SBI-0050996.P003; AB00514695; NS00083437; AB00514695-07; AB00514695_08; A903061; BRD-K13994703-001-02-0; BRD-K13994703-003-04-2; BRD-K13994703-003-10-9; Q63390536; (2S)-1-(isopropylamino)-3-(1-naphthyloxy)propan-2-ol; S-(-)-1-ISOPROPYLAMINO-3-(1-NAPHTHOXY)-2-PROPANOL; (2S)-1-[(1-methylethyl)amino]-3-(naphthalen-1-yloxy)propan-2-ol; 1-((1-methylethyl)amino) 3-(1-naphthalenyloxy) 2-propanol; [2-Hydroxy-3-(naphthalen-1-yloxy)-propyl]-isopropyl-ammonium((-)-propranolol); 2-PROPANOL, 1-((1-METHYLETHYL)AMINO)-3-(1-NAPHTHALENYLOXY)-, (2S)-	259.339	C16H21NO2	41.5	257	3	19	2	3	6	InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3/t14-/m0/s1	CC(C)NC[C@@H](COC1=CC=CC2=CC=CC=C21)O	CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O	AQHHHDLHHXJYJD-AWEZNQCLSA-N	(2S)-1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol
LDCM0099	Phenelzine	3675	Phenelzine; 51-71-8; Phenethylhydrazine; 2-Phenylethylhydrazine; Nardil; Fenelzyne; Hydrazine, (2-phenylethyl)-; Fenelzyna; beta-Phenylethylhydrazine; Phenelzinum; Fenelzin; 2-Phenethylhydrazine; 1-Hydrazino-2-phenylethane; Phenethyl-hydrazine; Fenelzina; Phenalzine; (2-phenylethyl)hydrazine; Fenelzina [INN-Spanish]; Phenelzinum [INN-Latin]; HYDRAZINE, PHENETHYL-; W 1544-A; phenethyl hydrazine; W1544; EINECS 200-117-9; UNII-O408N561GF; BRN 0742354; HSDB 8127; O408N561GF; CHEMBL1089; CHEBI:8060; DTXSID2041094; 4-15-00-01269 (Beilstein Handbook Reference); Fenelzyna [Polish]; Fenelzyne [Polish]; Fenelzina (INN-Spanish); Phenelzinum (INN-Latin); Phenelzine [INN:BAN]; Phenylethylhydrazine; Phenelzine (BAN); 2 Phenethylhydrazine; beta Phenylethylhydrazine; (2-Phenyl-ethyl)-hydrazine; Nardil (Salt/Mix); Phenelzinum (Latin); Phenelzine Free Base; Spectrum_000851; PHENELZINE [MI]; PHENELZINE [INN]; Prestwick0_000170; Prestwick1_000170; Prestwick2_000170; Prestwick3_000170; Spectrum2_001009; Spectrum3_000677; Spectrum4_000475; Spectrum5_000990; Lopac-P-6777; 1-(2-phenethyl)hydrazine; PHENELZINE [VANDF]; CBChromo1_000176; .beta.-Phenylethylhydrazine; 1-(2-Phenylethyl)hydrazine; PHENELZINE [WHO-DD]; Lopac0_000971; SCHEMBL34335; BSPBio_000039; BSPBio_002373; KBioGR_000950; KBioGR_002265; KBioSS_001331; KBioSS_002266; DivK1c_000062; SPBio_001137; SPBio_001960; 1-(2-Phenylethyl)hydrazine #; BPBio1_000043; GTPL7266; DTXCID0021094; KBio1_000062; KBio2_001331; KBio2_002265; KBio2_003899; KBio2_004833; KBio2_006467; KBio2_007401; KBio3_001593; KBio3_002745; cMAP_000003; NINDS_000062; HMS3259L04; HY-B1018; BDBM50105417; MFCD00047825; AKOS000131105; CCG-205051; CS-4532; DB00780; MCULE-2911295500; NC00692; SDCCGSBI-0050944.P005; IDI1_000062; NCGC00015830-01; NCGC00015830-03; NCGC00015830-04; NCGC00015830-05; NCGC00015830-07; NCGC00015830-13; NCGC00162301-01; AS-77074; SBI-0050944.P004; DB-052010; AB00053520; NS00098766; EN300-58071; C07430; D08349; F74244; W-1544; AB00053520_12; A828737; Q1747559; BRD-K87024524-065-05-2; 14847-47-3	136.19	C8H12N2	38	77.3	1.2	10	2	2	3	InChI=1S/C8H12N2/c9-10-7-6-8-4-2-1-3-5-8/h1-5,10H,6-7,9H2	C1=CC=C(C=C1)CCNN	C1=CC=C(C=C1)CCNN	RMUCZJUITONUFY-UHFFFAOYSA-N	2-phenylethylhydrazine
LDCM0100	EN219	3413196	EN219; 380351-29-1; 1-[3,5-bis(4-bromophenyl)-3,4-dihydropyrazol-2-yl]-2-chloroethanone; 3,5-bis(4-bromophenyl)-1-(chloroacetyl)-4,5-dihydro-1H-pyrazole; 1-[3,5-bis(4-bromophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-chloroethanone; 1-(3,5-Bis(4-bromophenyl)-4,5-dihydro-1H-pyrazol-1-yl)-2-chloroethanone; GLXC-26471; STK532807; AKOS001027216; MCULE-3058460714; HY-115715; CS-0202842; G13172; EN300-26479020; Z56823627; 1-[3,5-Bis(4-bromophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-chloro-ethanone; 1-[3,5-bis(4-bromophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-chloroethan-1-one	456.6	C17H13Br2ClN2O	32.7	458	4.7	23	0	2	3	InChI=1S/C17H13Br2ClN2O/c18-13-5-1-11(2-6-13)15-9-16(22(21-15)17(23)10-20)12-3-7-14(19)8-4-12/h1-8,16H,9-10H2	C1C(N(N=C1C2=CC=C(C=C2)Br)C(=O)CCl)C3=CC=C(C=C3)Br	C1C(N(N=C1C2=CC=C(C=C2)Br)C(=O)CCl)C3=CC=C(C=C3)Br	CXRHMHAKZPJNKS-UHFFFAOYSA-N	1-[3,5-bis(4-bromophenyl)-3,4-dihydropyrazol-2-yl]-2-chloroethanone
LDCM0101	23-cGAMP	139035001	2',3'-cGAMP; 1441190-66-4; EX-A5302; HY-100564; CS-0019708; (1R,6R,8R,9R,10S,15R,17R)-17-(2-amino-6-oxo-1H-purin-9-yl)-8-(6-aminopurin-9-yl)-3,9,12,18-tetrahydroxy-2,4,7,11,13,16-hexaoxa-3??,12??-diphosphatricyclo[13.2.1.0?,(1)?]octadecane-3,12-dione	674.4	C20H24N10O13P2	325	1300	-5.9	45	7	19	2	InChI=1S/C20H24N10O13P2/c21-14-8-15(24-3-23-14)29(4-25-8)18-11(32)12-7(41-18)2-39-45(36,37)43-13-10(31)6(1-38-44(34,35)42-12)40-19(13)30-5-26-9-16(30)27-20(22)28-17(9)33/h3-7,10-13,18-19,31-32H,1-2H2,(H,34,35)(H,36,37)(H2,21,23,24)(H3,22,27,28,33)/t6-,7-,10?,11-,12-,13-,18-,19-/m1/s1	C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)OP(=O)(OC[C@@H]5C([C@H]([C@@H](O5)N6C=NC7=C6N=C(NC7=O)N)OP(=O)(O1)O)O)O	C1C2C(C(C(O2)N3C=NC4=C3N=C(NC4=O)N)OP(=O)(OCC5C(C(C(O5)N6C=NC7=C(N=CN=C76)N)O)OP(=O)(O1)O)O)O	XRILCFTWUCUKJR-WGKJRFPRSA-N	2-amino-9-[(1R,6R,8R,9R,10S,15R,17R)-8-(6-aminopurin-9-yl)-3,9,12,18-tetrahydroxy-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3lambda5,12lambda5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one
LDCM0102	BDHI 8	.	.	405.092	C12H7BrF6N2O2	50.69	403.9595089	4.16	23	1	3	2	InChI=1S/C12H7BrF6N2O2/c13-9-4-8(23-21-9)10(22)20-7-2-5(11(14,15)16)1-6(3-7)12(17,18)19/h1-3,8H,4H2,(H,20,22)	O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CC(Br)=NO1	O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CC(Br)=NO1	PDHWJQDCCMPLCN-UHFFFAOYSA-N	.
LDCM0103	BDHI 10	.	.	339.189	C14H15BrN2O3	51.13	338.0266044	2.4717	20	0	4	2	InChI=1S/C14H15BrN2O3/c1-19-10-4-5-11-9(7-10)3-2-6-17(11)14(18)12-8-13(15)16-20-12/h4-5,7,12H,2-3,6,8H2,1H3	COc1ccc2c(c1)CCCN2C(=O)C1CC(Br)=NO1	COc1ccc2c(c1)CCCN2C(=O)C1CC(Br)=NO1	CMPRFVCUVCXDSZ-UHFFFAOYSA-N	.
LDCM0104	BDHI 13	.	.	369.244	C13H13BrN4O2S	75.94	367.9942588	1.5571	21	1	6	4	InChI=1S/C13H13BrN4O2S/c14-11-4-9(20-18-11)6-16-12(19)10-7-21-13(17-10)8-2-1-3-15-5-8/h1-3,5,9-10H,4,6-7H2,(H,16,19)	O=C(NCC1CC(Br)=NO1)C1CSC(c2cccnc2)=N1	O=C(NCC1CC(Br)=NO1)C1CSC(c2cccnc2)=N1	RDZQADAPNGAYBI-UHFFFAOYSA-N	.
LDCM0105	BDHI 14	.	.	352.192	C13H14BrN5O2	81.4	351.0330868	1.50382	21	1	6	3	InChI=1S/C13H14BrN5O2/c1-7-10-3-8(5-15-12(10)19(2)17-7)13(20)16-6-9-4-11(14)18-21-9/h3,5,9H,4,6H2,1-2H3,(H,16,20)	Cc1nn(C)c2ncc(C(=O)NCC3CC(Br)=NO3)cc12	Cc1nn(C)c2ncc(C(=O)NCC3CC(Br)=NO3)cc12	ISEKUZYXVVMVDA-UHFFFAOYSA-N	.
LDCM0106	BDHI 18	44118304	3-Bromo-5-(4-methoxyphenyl)-4,5-dihydroisoxazole; 1120215-02-2; 3-bromo-5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole; CHEMBL3797409; SCHEMBL12924533; 3-Bromo-5-(4-methoxyphenyl)-4,5-dihydroisoxazole 95+%; DTXSID40656828; AKOS015851861; DB-060149; J-511964; W-204767; 3-BroMo-5-(4-Methoxyphenyl)-4,5-dihydro-isoxazole	256.1	C10H10BrNO2	30.8	224	2.4	14	0	3	2	InChI=1S/C10H10BrNO2/c1-13-8-4-2-7(3-5-8)9-6-10(11)12-14-9/h2-5,9H,6H2,1H3	COC1=CC=C(C=C1)C2CC(=NO2)Br	COC1=CC=C(C=C1)C2CC(=NO2)Br	GPKZAXMPADQPAB-UHFFFAOYSA-N	3-bromo-5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole
LDCM0107	IAA	3727	iodoacetamide; 2-Iodoacetamide; 144-48-9; Monoiodoacetamide; ACETAMIDE, 2-IODO-; Surauto; USAF D-1; IODOACETAMIDE-D4; CCRIS 7710; N-(3-Methoxy-4-butoxybenzyl)thiobarbituric acid; .alpha.-Iodoacetamide; AI3-51841; MFCD00008028; 1219802-64-8; ZRH8M27S79; DTXSID9020742; NSC-9581; 2-Iodo-acetamide; alpha-Iodoacetamide; NSC 9581; EINECS 205-630-1; BRN 1739080; deltop; iodoacetoamide; UNII-ZRH8M27S79; a-iodoacetamide; iodo acetamide; 2-iodanylethanamide; alpha -Iodoacetamide; Alpha-iodo acetamide; Iodoacetamide;IA;IAM; Iodoacetamide, BioUltra; 2-Iodoacetamide, 98%; Lopac-I-1149; WLN: ZV1I; Acetamide, iodo- (6CI); Lopac0_000570; SCHEMBL20371; 4-02-00-00536 (Beilstein Handbook Reference); DTXCID10742; CHEMBL276727; GTPL6271; PGLTVOMIXTUURA-UHFFFAOYSA-; NSC9581; HMS3261B22; Acetamide, 2-iodo- (8CI,9CI); Tox21_200214; Tox21_500570; BDBM50376514; GEO-02682; s9827; AKOS005207253; CCG-204659; LP00570; MCULE-4217973413; SB40450; SDCCGSBI-0050552.P002; Iodoacetamide, >=98.0% (AT), purum; NCGC00015548-01; NCGC00015548-02; NCGC00015548-03; NCGC00015548-04; NCGC00015548-05; NCGC00015548-06; NCGC00015548-08; NCGC00093954-01; NCGC00093954-02; NCGC00257768-01; NCGC00261255-01; AS-17314; CAS-144-48-9; HY-34477; Iodoacetamide, Single use vial of 56 mg; DB-000286; Iodoacetamide, >=99% (NMR), crystalline; CS-0020050; EU-0100570; I0044; I0741; NS00006796; EN300-67470; Iodoacetamide, Vetec(TM) reagent grade, 99%; I 1149; A808220; A928667; SR-01000075932; J-509725; Q2191895; SR-01000075932-1; Z1080376832; InChI=1/C2H4INO/c3-1-2(4)5/h1H2,(H2,4,5)	184.96	C2H4INO	43.1	44.9	-0.2	5	1	1	1	InChI=1S/C2H4INO/c3-1-2(4)5/h1H2,(H2,4,5)	C(C(=O)N)I	C(C(=O)N)I	PGLTVOMIXTUURA-UHFFFAOYSA-N	2-iodoacetamide
LDCM0108	Chloroacetamide	6580	2-Chloroacetamide; Chloroacetamide; 79-07-2; Acetamide, 2-chloro-; CHLORACETAMIDE; 2-Chloroethanamide; Microcide; Mergal AF; Chloracetamid; 2-Chloro-acetamide; alpha-Chloroacetamide; USAF DO-29; .alpha.-Chloroacetamide; Chloroacetamide-d4; NSC 54286; MFCD00008027; CHEMBL346368; DTXSID9041570; NSC-54286; 2R97846T1L; 2-Chloracetamide; WLN: ZV1G; Chloracetamid [German]; HSDB 7449; EINECS 201-174-2; BRN 0878191; AI3-60133; a-chloroacetamide; UNII-2R97846T1L; monochloroacetamide; 2--Chloroacetamide; .alpha.-Chloracetamide; ClCH2CONH2; 2-chloroacetic acid amide; EC 201-174-2; Acetamide, .alpha.-chloro-; CHLOROACETAMIDE [MI]; 2-Chloroacetamide, >=98%; CHLOROACETAMIDE [HSDB]; CHLOROACETAMIDE [INCI]; ACETIC ACID,CHLORO,AMIDE; CHLOROACETAMIDE [MART.]; DTXCID7021570; AMY4113; NSC8408; NSC-8408; NSC54286; STR00268; Tox21_304037; BDBM50226182; STK298897; AKOS000104694; CS-W011345; HY-W010629; MCULE-3241549842; CAS-79-07-2; 2-Chloroacetamide, >=98.0% (HPLC); NCGC00357244-01; PD194639; DB-230097; C2536; NS00007551; EN300-18249; Q209345; J-509001; F2190-0195; InChI=1/C2H4ClNO/c3-1-2(4)5/h1H2,(H2,4,5	93.51	C2H4ClNO	43.1	44.9	-0.5	5	1	1	1	InChI=1S/C2H4ClNO/c3-1-2(4)5/h1H2,(H2,4,5)	C(C(=O)N)Cl	C(C(=O)N)Cl	VXIVSQZSERGHQP-UHFFFAOYSA-N	2-chloroacetamide
LDCM0109	NEM	4362	N-ethylmaleimide; 128-53-0; 1-Ethyl-1H-pyrrole-2,5-dione; ethylmaleimide; 1H-pyrrole-2,5-dione, 1-ethyl-; 1-ethylpyrrole-2,5-dione; maleimide, N-ethyl-; NEM; maleic acid N-ethylimide; USAF B-121; N-ethyl maleimide; MFCD00005509; CHEMBL8211; O3C74ACM9V; 25668-22-8; CHEBI:44485; NSC-7638; NSC 7638; EINECS 204-892-4; UNII-O3C74ACM9V; BRN 0112448; AI3-50085; n-ethylmaleimide (nem); N-EM; Lopac-E-3876; ETHYLMALEIMIDE, N-; WLN: T5VNVJ B2; 1H-Pyrrole-2, 1-ethyl-; Lopac0_000492; SCHEMBL19666; KBioGR_002548; KBioSS_002557; 5-21-10-00006 (Beilstein Handbook Reference); N-ETHYLMALEIMIDE [MI]; GTPL5335; SCHEMBL9359266; DTXSID1059573; KBio2_002548; KBio2_005116; KBio2_007684; KBio3_003026; NSC7638; cMAP_000078; Bio1_000439; Bio1_000928; Bio1_001417; HMS3261D05; 1-ethyl-3-pyrroline-2,5-quinone; HY-D0843; NSC92547; 1-Ethyl-1H-pyrrole-2,5-dione #; Tox21_500492; BDBM50220832; GEO-01358; HSCI1_000382; NSC-92547; PI-149; s3692; STK802307; AKOS000249392; AKOS025244114; CCG-204583; DB02967; FS-4064; LP00492; MCULE-9216989340; SDCCGSBI-0050476.P003; NCGC00015415-01; NCGC00015415-02; NCGC00015415-03; NCGC00015415-04; NCGC00015415-05; NCGC00015415-06; NCGC00093895-01; NCGC00093895-02; NCGC00261177-01; AC-37035; 1-ETHYL-1H-PYRROLE-2,5-DIONENEM; DB-041899; 1-ethyl-2,5-dihydro-1H-pyrrole-2,5-dione; CS-0014814; E0136; EU-0100492; N-Ethylmaleimide, BioXtra, >=98% (HPLC); NS00024051; EN300-25478; C02441; E 3876; E-8100; N-Ethylmaleimide, crystalline, >=98% (HPLC); N-Ethylmaleimide, BioUltra, >=99.0% (HPLC); Q292393; SR-01000075860; N-Ethylmaleimide, purum p.a., >=99.0% (HPLC); SR-01000075860-1; BRD-K98297262-001-01-1; 4D028806-9A8A-4D25-B355-AEFDEC5AD901; F0001-0396; Z205012234; InChI=1/C6H7NO2/c1-2-7-5(8)3-4-6(7)9/h3-4H,2H2,1H	125.13	C6H7NO2	37.4	166	0.9	9	0	2	1	InChI=1S/C6H7NO2/c1-2-7-5(8)3-4-6(7)9/h3-4H,2H2,1H3	CCN1C(=O)C=CC1=O	CCN1C(=O)C=CC1=O	HDFGOPSGAURCEO-UHFFFAOYSA-N	1-ethylpyrrole-2,5-dione
LDCM0110	W12	5382382	31127-39-6; 2,3-Dihydrobenzo[b][1,4]dioxine-6-carbaldehyde oxime; 1,4-Benzodioxin-6-carboxaldehyde, 2,3-dihydro-, oxime; (E)-N-[(2,3-dihydro-1,4-benzodioxin-6-yl)methylidene]hydroxylamine; 3,4-Ethylenedioxybenzaldehyde oxime; (E)-2,3-dihydrobenzo[b][1,4]dioxine-6-carbaldehyde oxime; SCHEMBL5563987; MQTBKHWWMQAHAF-UXBLZVDNSA-N; ALBB-033893; MFCD00862517; AKOS008939494; DS-2932; CS-0072819; J-501843; 2,3-Dihydrobenzo[b][1,4]dioxine-6-carbaldehydeoxime; F2163-0258; N-[(2,3-dihydro-1,4-benzodioxin-6-yl)methylidene]hydroxylamine	179.17	C9H9NO3	51	195	1.2	13	1	4	1	InChI=1S/C9H9NO3/c11-10-6-7-1-2-8-9(5-7)13-4-3-12-8/h1-2,5-6,11H,3-4H2/b10-6+	C1COC2=C(O1)C=CC(=C2)/C=N/O	C1COC2=C(O1)C=CC(=C2)C=NO	MQTBKHWWMQAHAF-UXBLZVDNSA-N	(NE)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)hydroxylamine
LDCM0111	W14	.	.	161.164	C8H7N3O	61.27	161.0589118	1.371	12	2	3	1	InChI=1S/C8H7N3O/c12-11-5-6-3-7-1-2-9-8(7)10-4-6/h1-5,12H,(H,9,10)/b11-5+	O/N=C/c1cnc2[nH]ccc2c1	ON=Cc1cnc2[nH]ccc2c1	DOBDQTLRJUIUPD-VZUCSPMQSA-N	.
LDCM0112	W16	9612397	4-cyanobenzaldoxime; (E)-4-((Hydroxyimino)methyl)benzonitrile; 52707-54-7; 4-[(E)-hydroxyiminomethyl]benzonitrile; MFCD01205660; AKOS008939715; MS-8977; 4-[(1E)-(hydroxyimino)methyl]benzonitrile; CS-0363109	146.15	C8H6N2O	56.4	184	1.8	11	1	3	1	InChI=1S/C8H6N2O/c9-5-7-1-3-8(4-2-7)6-10-11/h1-4,6,11H/b10-6+	C1=CC(=CC=C1/C=N/O)C#N	C1=CC(=CC=C1C=NO)C#N	XUPNOABKAQYYOD-UXBLZVDNSA-N	4-[(E)-hydroxyiminomethyl]benzonitrile
LDCM0113	W17	22170138	(E)-4-Chloronicotinaldehyde oxime; 471909-43-0; (NE)-N-[(4-chloropyridin-3-yl)methylidene]hydroxylamine; (E)-N-[(4-chloropyridin-3-yl)methylidene]hydroxylamine; SCHEMBL1982833; (E)-4-Chloronicotinaldehydeoxime; WTA90943; MFCD12922730; AKOS006337023; (E)-4-Chloronicotinaldehyde oxime, AldrichCPR; A923083	156.57	C6H5ClN2O	45.5	129	1.2	10	1	3	1	InChI=1S/C6H5ClN2O/c7-6-1-2-8-3-5(6)4-9-10/h1-4,10H/b9-4+	C1=CN=CC(=C1Cl)/C=N/O	C1=CN=CC(=C1Cl)C=NO	MKJYDOKLIMMJDA-RUDMXATFSA-N	(NE)-N-[(4-chloropyridin-3-yl)methylidene]hydroxylamine
LDCM0114	Len	216326	Lenalidomide; 191732-72-6; Revlimid; Revimid; 3-(4-Amino-1-oxoisoindolin-2-yl)piperidine-2,6-dione; CC-5013; CDC 501; CDC-501; Lenalidomide (CC-5013); 3-(4-Amino-1-oxo-1,3-dihydro-2H-isoindol-2-yl)piperidine-2,6-dione; 2,6-Piperidinedione, 3-(4-amino-1,3-dihydro-1-oxo-2H-isoindol-2-yl)-; IMiD3; CC 5013; 3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione; Lenadoamide; NSC-747972; UNII-F0P408N6V4; DTXSID8046664; CHEBI:63791; ENMD 0997; HSDB 8220; C13H13N3O3; F0P408N6V4; SYP-1512; Revlimid (TN); (3S)-3-(4-Amino-1-oxo-1,3-dihydro-2H-isoindol-2-yl)piperidine-2,6-dione; 1-oxo-2-(2,6-dioxopiperidin-3-yl)-4-aminoisoindoline; DTXCID6026664; MFCD07772307; NSC 747972; NCGC00167491-01; Lenalidomide [USAN]; 3-(4-amino-1-oxo-2,3-dihydro-1H-isoindol-2-yl)piperidine-2,6-dione; LENALIDOMIDE (MART.); LENALIDOMIDE [MART.]; Revlimid (lenalidomide); 3-(4-Amino-1-oxo-1,3-dihydro-isoindol-2-yl)-piperidine-2,6-dione; IMiD3 cpd; CAS-191732-72-6; Lenalidomide (USAN/INN); lenalidomidum; Lenalidomida; Lenalidomide?; Lenalidomide [USAN:INN:BAN]; 443912-14-9; ENMD-0997; IMID-5013; CDC-5013; LENALIDOMIDE [MI]; LENALIDOMIDE [INN]; LENALIDOMIDE [JAN]; CHEMBL848; Revlimid (TN) (Celgene); LENALIDOMIDE [VANDF]; SCHEMBL32978; MLS003899194; LENALIDOMIDE [WHO-DD]; GTPL7331; SCHEMBL1980410; LENALIDOMIDE [EMA EPAR]; 3-(4-Amino-1-oxo-2-isoindolinyl)piperidine-2,6-dione; SCHEMBL26646478; BDBM65454; L04AX04; 3-(7-Amino-3-oxo-1H-isoindol-2-yl)-piperidine-2,6-dione; BCPP000186; HMS3654G07; HMS3674C05; LENALIDOMIDE [ORANGE BOOK]; BCP01390; HY-A0003; Revlimid, Lenalidomide, CC-5013; Tox21_112492; AC-914; NSC703813; NSC747972; s1029; STK639603; 2,6-Piperidinedione, 3-(4-amino-1,3-dihydro-1-oxo-2H- isoindol-2-yl)-; AKOS005146276; AKOS005174869; Tox21_112492_1; BCP9000847; CCG-264781; CS-0125; DB00480; KS-1207; MCULE-9771679074; SB66166; NCGC00167491-02; NCGC00167491-03; NCGC00167491-04; BL164614; BP-27972; SMR002529986; SY047646; AM20050439; NS00003666; SW218084-2; D04687; EN300-118706; AB01273975-01; AB01273975-02; AB01273975_03; Q425681; SR-01000883999; Q-101410; SR-01000883999-1; 1-Oxo-4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole; Z1515385074; 2, 3-(4-amino-1,3-dihydro-1-oxo-2H-isoindol-2-yl)-; 3-(4-amino-1-oxo-1,3-dihydro-2H-isoindol-2-yl)-2,6-dioxopiperidine; 3-(4-Amino-1-oxo-1,3-dihydro-2H-isoindol-2-yl)-2,6-piperidinedione; (3RS)-3-(4-Amino-1-oxo-1,3-dihydro-2H-isoindol-2-yl)piperidine-2,6-dione; 4-amino-2-(6-hydroxy-2-oxo-2,3,4,5-tetrahydropyridin-3-yl)-2,3-dihydro-1H-isoindol-1-one	259.26	C13H13N3O3	92.5	437	-0.5	19	2	4	1	InChI=1S/C13H13N3O3/c14-9-3-1-2-7-8(9)6-16(13(7)19)10-4-5-11(17)15-12(10)18/h1-3,10H,4-6,14H2,(H,15,17,18)	C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N	C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N	GOTYRUGSSMKFNF-UHFFFAOYSA-N	3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
LDCM0115	Minimalist	118987360	1450754-41-2; 2-(3-but-3-ynyl-3H-diazirin-3-yl)-ethanol; 3-(3-Butyn-1-yl)-3H-diazirine-3-ethanol; 2-(3-but-3-ynyldiazirin-3-yl)ethanol; MFCD29918290; 2-(3-(but-3-yn-1-yl)-3H-diazirin-3-yl)ethan-1-ol; 3H-Diazirine-3-ethanol, 3-(3-butyn-1-yl)-; 2-[3-(but-3-yn-1-yl)-3H-diazirin-3-yl]ethan-1-ol; 3-(3-Butynyl)-3H-diazirine-3-ethanol; SCHEMBL20680946; DTXSID801278943; AKOS026720521; DS-19296; SY106324; DB-121580; CS-0106038; 2-(3-But-3-ynyl-3H-diazirin-3-yl)ethanol; EN300-227135; N11436; A920636; 2-[3-(BUT-3-YN-1-YL)DIAZIRIN-3-YL]ETHANOL; 2-(3-But-3-ynyl-3H-diazirin-3-yl)-ethanol, >=95%; F2197-0240; Z1898593365	138.17	C7H10N2O	45	183	0.8	10	1	3	4	InChI=1S/C7H10N2O/c1-2-3-4-7(5-6-10)8-9-7/h1,10H,3-6H2	C#CCCC1(N=N1)CCO	C#CCCC1(N=N1)CCO	NMIZSJAOOMXKDJ-UHFFFAOYSA-N	2-(3-but-3-ynyldiazirin-3-yl)ethanol
LDCM0116	HHS-0101	.	.	292.32	C12H12N4O3S	93.95	292.0630112	0.4073	20	1	6	4	InChI=1S/C12H12N4O3S/c17-12(15-10-3-4-10)9-1-5-11(6-2-9)20(18,19)16-8-13-7-14-16/h1-2,5-8,10H,3-4H2,(H,15,17)	O=C(NC1CC1)c1ccc(S(=O)(=O)n2cncn2)cc1	O=C(NC1CC1)c1ccc(S(=O)(=O)n2cncn2)cc1	INAOIHACPLHQPI-UHFFFAOYSA-N	.
LDCM0117	HHS-0201	.	.	306.347	C13H14N4O3S	93.95	306.0786613	0.6549	21	1	6	5	InChI=1S/C13H14N4O3S/c18-13(15-7-10-1-2-10)11-3-5-12(6-4-11)21(19,20)17-9-14-8-16-17/h3-6,8-10H,1-2,7H2,(H,15,18)	O=C(NCC1CC1)c1ccc(S(=O)(=O)n2cncn2)cc1	O=C(NCC1CC1)c1ccc(S(=O)(=O)n2cncn2)cc1	PTRXBVNPNGVYDT-UHFFFAOYSA-N	.
LDCM0118	HHS-0301	166076107	.	334.4	C15H18N4O3S	102	505	2.3	23	1	5	4	InChI=1S/C15H18N4O3S/c20-15(18-13-4-2-1-3-5-13)12-6-8-14(9-7-12)23(21,22)19-11-16-10-17-19/h6-11,13H,1-5H2,(H,18,20)	C1CCC(CC1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3C=NC=N3	C1CCC(CC1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3C=NC=N3	FEMITSHCKRNJJK-UHFFFAOYSA-N	N-cyclohexyl-4-(1,2,4-triazol-1-ylsulfonyl)benzamide
LDCM0119	HHS-0401	164807047	SCHEMBL24604568	342.4	C16H14N4O3S	102	520	2	24	1	5	5	InChI=1S/C16H14N4O3S/c21-16(18-10-13-4-2-1-3-5-13)14-6-8-15(9-7-14)24(22,23)20-12-17-11-19-20/h1-9,11-12H,10H2,(H,18,21)	C1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3C=NC=N3	C1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3C=NC=N3	TVHILUBYSCZKFA-UHFFFAOYSA-N	N-benzyl-4-(1,2,4-triazol-1-ylsulfonyl)benzamide
LDCM0120	HHS-0701	155925911	HHS-0701; 2851993-91-2; SCHEMBL24604563; EX-A5094; EX-A7420; TS-09369; HY-138665; CS-0163717	396.5	C20H20N4O3S	93.5	628	2.9	28	0	5	4	InChI=1S/C20H20N4O3S/c25-20(23-12-10-17(11-13-23)16-4-2-1-3-5-16)18-6-8-19(9-7-18)28(26,27)24-15-21-14-22-24/h1-9,14-15,17H,10-13H2	C1CN(CCC1C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4C=NC=N4	C1CN(CCC1C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4C=NC=N4	LLBIFOHOSLRVRY-UHFFFAOYSA-N	(4-phenylpiperidin-1-yl)-[4-(1,2,4-triazol-1-ylsulfonyl)phenyl]methanone
LDCM0121	LGs	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
LDCM0122	Cepafungin 1	9915081	(2E,4E)-N-[(2S,3R)-3-Hydroxy-1-[[(3E,5S,8S,10S)-10-hydroxy-5-methyl-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]amino]-1-oxobutan-2-yl]-11-methyldodeca-2,4-dienamide	534.7	C28H46N4O6	157	854	3.4	38	6	6	12	InChI=1S/C28H46N4O6/c1-19(2)12-10-8-6-5-7-9-11-13-25(36)32-26(21(4)33)28(38)31-23-18-22(34)16-17-29-24(35)15-14-20(3)30-27(23)37/h7,9,11,13-15,19-23,26,33-34H,5-6,8,10,12,16-18H2,1-4H3,(H,29,35)(H,30,37)(H,31,38)(H,32,36)/b9-7+,13-11+,15-14+/t20-,21+,22-,23-,26-/m0/s1	C[C@H]1/C=C/C(=O)NCC[C@@H](C[C@@H](C(=O)N1)NC(=O)[C@H]([C@@H](C)O)NC(=O)/C=C/C=C/CCCCCC(C)C)O	CC1C=CC(=O)NCCC(CC(C(=O)N1)NC(=O)C(C(C)O)NC(=O)C=CC=CCCCCCC(C)C)O	SVHNVAFCZJDSIW-IDTDGXCSSA-N	(2E,4E)-N-[(2S,3R)-3-hydroxy-1-[[(3E,5S,8S,10S)-10-hydroxy-5-methyl-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]amino]-1-oxobutan-2-yl]-11-methyldodeca-2,4-dienamide
LDCM0123	JWB131	155213341	SCHEMBL22558406	279.32	C12H13N3O3S	82.5	410	1.9	19	0	5	4	InChI=1S/C12H13N3O3S/c1-18-10-4-2-9(3-5-10)12-13-8-15(14-12)19(16,17)11-6-7-11/h2-5,8,11H,6-7H2,1H3	COC1=CC=C(C=C1)C2=NN(C=N2)S(=O)(=O)C3CC3	COC1=CC=C(C=C1)C2=NN(C=N2)S(=O)(=O)C3CC3	GQSKPZWADSFKJL-UHFFFAOYSA-N	1-cyclopropylsulfonyl-3-(4-methoxyphenyl)-1,2,4-triazole
LDCM0124	JWB142	155213271	SCHEMBL22558334	391.4	C21H17N3O3S	82.5	587	4.5	28	0	5	5	InChI=1S/C21H17N3O3S/c1-27-19-11-7-18(8-12-19)21-22-15-24(23-21)28(25,26)20-13-9-17(10-14-20)16-5-3-2-4-6-16/h2-15H,1H3	COC1=CC=C(C=C1)C2=NN(C=N2)S(=O)(=O)C3=CC=C(C=C3)C4=CC=CC=C4	COC1=CC=C(C=C1)C2=NN(C=N2)S(=O)(=O)C3=CC=C(C=C3)C4=CC=CC=C4	KPJVQDWZAVSQNX-UHFFFAOYSA-N	3-(4-methoxyphenyl)-1-(4-phenylphenyl)sulfonyl-1,2,4-triazole
LDCM0125	JWB146	155213257	SCHEMBL22558315; AOPCAXFJCOMUKR-UHFFFAOYSA-N; 1-Cyclopropylsulfonyl-3-[4-(trifluoromethyl)phenyl]-1,2,4-triazole	317.29	C12H10F3N3O2S	73.2	479	2.8	21	0	7	3	InChI=1S/C12H10F3N3O2S/c13-12(14,15)9-3-1-8(2-4-9)11-16-7-18(17-11)21(19,20)10-5-6-10/h1-4,7,10H,5-6H2	C1CC1S(=O)(=O)N2C=NC(=N2)C3=CC=C(C=C3)C(F)(F)F	C1CC1S(=O)(=O)N2C=NC(=N2)C3=CC=C(C=C3)C(F)(F)F	AOPCAXFJCOMUKR-UHFFFAOYSA-N	1-cyclopropylsulfonyl-3-[4-(trifluoromethyl)phenyl]-1,2,4-triazole
LDCM0126	JWB150	155213280	SCHEMBL22558345; ASVKVIILQGWQKV-UHFFFAOYSA-N; 1-(4-Fluorophenyl)sulfonyl-3-[4-(trifluoromethyl)phenyl]-1,2,4-triazole	371.3	C15H9F4N3O2S	73.2	550	3.9	25	0	8	3	InChI=1S/C15H9F4N3O2S/c16-12-5-7-13(8-6-12)25(23,24)22-9-20-14(21-22)10-1-3-11(4-2-10)15(17,18)19/h1-9H	C1=CC(=CC=C1C2=NN(C=N2)S(=O)(=O)C3=CC=C(C=C3)F)C(F)(F)F	C1=CC(=CC=C1C2=NN(C=N2)S(=O)(=O)C3=CC=C(C=C3)F)C(F)(F)F	ASVKVIILQGWQKV-UHFFFAOYSA-N	1-(4-fluorophenyl)sulfonyl-3-[4-(trifluoromethyl)phenyl]-1,2,4-triazole
LDCM0127	JWB152	164807037	.	378.3	C16H9F3N4O2S	77.6	639	3.5	26	0	8	3	InChI=1S/C16H9F3N4O2S/c1-20-13-6-8-14(9-7-13)26(24,25)23-10-21-15(22-23)11-2-4-12(5-3-11)16(17,18)19/h2-10H	[C-]#[N+]C1=CC=C(C=C1)S(=O)(=O)N2C=NC(=N2)C3=CC=C(C=C3)C(F)(F)F	[C-]#[N+]C1=CC=C(C=C1)S(=O)(=O)N2C=NC(=N2)C3=CC=C(C=C3)C(F)(F)F	AWVYLKKUOYMWHG-UHFFFAOYSA-N	1-(4-isocyanophenyl)sulfonyl-3-[4-(trifluoromethyl)phenyl]-1,2,4-triazole
LDCM0128	JWB198	155213654	SCHEMBL22558798	336.4	C17H12N4O2S	86.1	529	3.1	24	0	5	3	InChI=1S/C17H12N4O2S/c22-24(23,16-6-5-13-3-1-2-4-15(13)11-16)21-12-19-17(20-21)14-7-9-18-10-8-14/h1-12H	C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)N3C=NC(=N3)C4=CC=NC=C4	C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)N3C=NC(=N3)C4=CC=NC=C4	ZOEPIMUDPBJJPH-UHFFFAOYSA-N	4-(1-naphthalen-2-ylsulfonyl-1,2,4-triazol-3-yl)pyridine
LDCM0129	JWB202	155213274	SCHEMBL22558338	362.4	C19H14N4O2S	86.1	544	3.5	26	0	5	4	InChI=1S/C19H14N4O2S/c24-26(25,23-14-21-19(22-23)17-10-12-20-13-11-17)18-8-6-16(7-9-18)15-4-2-1-3-5-15/h1-14H	C1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)N3C=NC(=N3)C4=CC=NC=C4	C1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)N3C=NC(=N3)C4=CC=NC=C4	WWLDAFWXWUTFJW-UHFFFAOYSA-N	4-[1-(4-phenylphenyl)sulfonyl-1,2,4-triazol-3-yl]pyridine
LDCM0130	JWB211	155213743	SCHEMBL22558904	321.4	C13H11N3O3S2	111	446	2.6	21	0	6	4	InChI=1S/C13H11N3O3S2/c1-19-10-4-6-11(7-5-10)21(17,18)16-9-14-13(15-16)12-3-2-8-20-12/h2-9H,1H3	COC1=CC=C(C=C1)S(=O)(=O)N2C=NC(=N2)C3=CC=CS3	COC1=CC=C(C=C1)S(=O)(=O)N2C=NC(=N2)C3=CC=CS3	NPLQXHMWVIWQHQ-UHFFFAOYSA-N	1-(4-methoxyphenyl)sulfonyl-3-thiophen-2-yl-1,2,4-triazole
LDCM0131	RA190	86302131	CHEMBL5316093; SCHEMBL19954712	560.3	C28H22Cl4N2O2	63.4	809	6.7	36	1	3	5	InChI=1S/C28H22Cl4N2O2/c29-22-8-6-18(12-24(22)31)10-20-15-34(28(36)26(33)14-17-4-2-1-3-5-17)16-21(27(20)35)11-19-7-9-23(30)25(32)13-19/h1-13,26H,14-16,33H2/b20-10+,21-11+/t26-/m0/s1	C\1N(C/C(=C\C2=CC(=C(C=C2)Cl)Cl)/C(=O)/C1=C/C3=CC(=C(C=C3)Cl)Cl)C(=O)[C@@H](N)CC4=CC=CC=C4	C1C(=CC2=CC(=C(C=C2)Cl)Cl)C(=O)C(=CC3=CC(=C(C=C3)Cl)Cl)CN1C(=O)C(CC4=CC=CC=C4)N	IYJSFPQYTFFTKN-KJRZKRENSA-N	(3E,5E)-1-[(2S)-2-amino-3-phenylpropanoyl]-3,5-bis[(3,4-dichlorophenyl)methylidene]piperidin-4-one
LDCM0132	15d	.	.	695.859	C36H47N4O8S+	129.49	695.3109119	3.6302	49	3	9	18	InChI=1S/C36H46N4O8S/c1-43-29-9-8-23-18-28-25-20-31(45-3)30(44-2)19-24(25)10-12-40(28)21-26(23)35(29)48-17-16-47-15-14-46-13-11-37-33(41)7-5-4-6-32-34-27(22-49-32)38-36(42)39-34/h8-9,18-21,27,32,34H,4-7,10-17,22H2,1-3H3,(H2-,37,38,39,41,42)/p+1/t27-,32-,34-/m1/s1	[H][C@@]12CS[C@H](CCCCC(=O)NCCOCCOCCOc3c(OC)ccc4cc5[n+](cc34)CCc3cc(OC)c(OC)cc3-5)[C@]1([H])NC(=O)N2	[H]C12CSC(CCCCC(=O)NCCOCCOCCOc3c(OC)ccc4cc5[n+](cc34)CCc3cc(OC)c(OC)cc3-5)C1([H])NC(=O)N2	CTKJPRWDXOSOTP-QPTCXXMRSA-O	.
LDCM0135	SMT022332	.	.	319.272	C16H15FNO3P	52.33	319.0773582	4.2036	22	0	4	4	InChI=1S/C16H15FNO3P/c1-3-22(19,20-2)13-8-9-15-14(10-13)18-16(21-15)11-4-6-12(17)7-5-11/h4-10H,3H2,1-2H3/t22-/m0/s1	CC[P@](=O)(OC)c1ccc2oc(-c3ccc(F)cc3)nc2c1	CCP(=O)(OC)c1ccc2oc(-c3ccc(F)cc3)nc2c1	MNCZMYLRBLYUPR-QFIPXVFZSA-N	.
LDCM0136	SR-4559	2674365	847939-23-5; 1-[4-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)piperazin-1-yl]-2-(6-methyl-1-benzofuran-3-yl)ethan-1-one; MLS000863888; SMR000068843; 1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-2-(6-methyl-1-benzofuran-3-yl)ethanone; 1-(4-((2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)sulfonyl)piperazin-1-yl)-2-(6-methylbenzofuran-3-yl)ethan-1-one; SR-01000604559; MLS000098696; SR 4559; CHEMBL1312711; BDBM94640; cid_2674365; HMS2364G17; AKOS007986421; MCULE-9984975902; TS-09118; EN300-264077; SR-01000604559-3; SR-01000604559-4; SR-01000604559-5; SR-01000604559-6; Z29514151; 1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-piperazinyl]-2-(6-methyl-3-benzofuranyl)ethanone; 1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazino]-2-(6-methylbenzofuran-3-yl)ethanone; 1-[4-(2,3-DIHYDRO-1,4-BENZODIOXINE-6-SULFONYL)PIPERAZIN-1-YL]-2-(6-METHYL-1-BENZOFURAN-3-YL)ETHANONE	456.5	C23H24N2O6S	97.7	778	2.4	32	0	7	4	InChI=1S/C23H24N2O6S/c1-16-2-4-19-17(15-31-21(19)12-16)13-23(26)24-6-8-25(9-7-24)32(27,28)18-3-5-20-22(14-18)30-11-10-29-20/h2-5,12,14-15H,6-11,13H2,1H3	CC1=CC2=C(C=C1)C(=CO2)CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC5=C(C=C4)OCCO5	CC1=CC2=C(C=C1)C(=CO2)CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC5=C(C=C4)OCCO5	HJVYLFAPJPGKEE-UHFFFAOYSA-N	1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-2-(6-methyl-1-benzofuran-3-yl)ethanone
LDCM0137	SR-4995	16016685	MLS001200212; SMR000563557; 1-butyl-3-(5-methyl-6-oxo-3-benzo[b][1,4]benzothiazepinyl)urea; 1-butyl-3-(5-methyl-6-oxobenzo[b][1,4]benzothiazepin-3-yl)urea; N-butyl-N'-(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)urea; SR-01000804995; CHEMBL1320647; BDBM94568; CHEBI:121643; cid_16016685; HMS1857H03; HMS2859O08; AKOS001896889; NCGC00119956-01; SR-01000804995-2; SR-01000804995-4; E006-0197; Q27210203; 1-butyl-3-(6-keto-5-methyl-benzo[b][1,4]benzothiazepin-3-yl)urea; 1-butyl-3-(5-methyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-3-yl)urea	355.5	C19H21N3O2S	86.7	487	3.3	25	2	3	4	InChI=1S/C19H21N3O2S/c1-3-4-11-20-19(24)21-13-9-10-17-15(12-13)22(2)18(23)14-7-5-6-8-16(14)25-17/h5-10,12H,3-4,11H2,1-2H3,(H2,20,21,24)	CCCCNC(=O)NC1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)N2C	CCCCNC(=O)NC1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)N2C	UGYXUEPBYOKNOL-UHFFFAOYSA-N	1-butyl-3-(5-methyl-6-oxobenzo[b][1,4]benzothiazepin-3-yl)urea
LDCM0138	KDT501	.	.	404.588	C21H33KO5	94.5	404.1965058	0.1572	27	1	5	10	InChI=1S/C21H33O5.K/c1-12(2)7-9-15-19(24)18(16(22)11-14(5)6)20(25)21(15,26)17(23)10-8-13(3)4;/h12-15,25H,7-11H2,1-6H3;/q-1;+1/t15?,21-;/m0./s1	CC(C)CCC(=O)[C@]1([O-])C(O)=C(C(=O)CC(C)C)C(=O)C1CCC(C)C.[K+]	CC(C)CCC(=O)C1([O-])C(O)=C(C(=O)CC(C)C)C(=O)C1CCC(C)C.[K+]	OBRIOHODJVKWGS-OPHSLRPESA-N	.
LDCM0139	Miconazole	4189	miconazole; 22916-47-8; Monistat; Monistat IV; Daktarin IV; Miconazol; Miconazolo; Miconazolum; Minostate; 1-[2-(2,4-Dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-1H-imidazole; MJR 1762; Miconazolum [INN-Latin]; Vusion; Monistat-Derm; Oravig; Florid(nitrate); 1-(2-((2,4-Dichlorobenzyl)oxy)-2-(2,4-dichlorophenyl)ethyl)-1H-imidazole; Miconazol [INN-Spanish]; NSC 170986; Brentan; R 18134; CCRIS 7924; 1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole; 1H-Imidazole, 1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-; UNII-7NNO0D7S5M; EINECS 245-324-5; 7NNO0D7S5M; MFCD00216019; BRN 0965511; DTXSID6023319; 1-(2,4-Dichloro-beta-((2,4-dichlorobenzyl)oxy)phenethyl)imidazole; 1H-Imidazole, 1-(2-(2,4-dichlorophenyl)-2-((2,4-dichlorophenyl)methoxy)ethyl)-; CHEMBL91; Monistat (TN); R18134 nitrate; Miconazole nitrate salt; DTXCID803319; Dactarin; CHEBI:82892; Miconazole [USP:INN:BAN:JAN]; 1-(2,4-dichloro-beta-((2,4-dichlorobenzyl)oxy)phenethyl) imidazole; Imidazole, 1-(2,4-dichloro-beta-((2,4-dichlorobenzyl)oxy)phenethyl)-; 22916-47-8 (free); Imidazole, 1-(2-(2,4-dichlorophenyl)-2-((2,4-dichlorophenyl)methoxy)ethyl)-; NSC170986; NSC-170986; MCZ; Miconazolo [DCIT]; NCGC00016770-01; Micozole; Zimycan; Miconazol (INN-Spanish); Miconazolum (INN-Latin); imidazole, 1-(2,4-dichloro-beta-((2,4-dichlorobenzyl)oxy) phenethyl)-; Femizol-M; Miconazole-7; MICONAZOLE (MART.); MICONAZOLE [MART.]; Monazole 7; 1-[2-(2,4-dichlorophenyl)-2-{[(2,4-dichlorophenyl)methyl]oxy}ethyl]-1H-imidazole; 1H-imidazole, 1-(2-(2,4-dichlorophenyl)-2-((2,4-dichlorophenyl) methoxy)ethyl)-; MICONAZOLE (EP IMPURITY); MICONAZOLE [EP IMPURITY]; C18H14Cl4N2O; MICONAZOLE (EP MONOGRAPH); MICONAZOLE (USP IMPURITY); MICONAZOLE [EP MONOGRAPH]; MICONAZOLE [USP IMPURITY]; Miconazole (USP:INN:BAN:JAN); MICONAZOLE (USP MONOGRAPH); MICONAZOLE [USP MONOGRAPH]; Aflorix(nitrate); 1-[2-(2,4-dichlorobenzyloxy)-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole; 1-[2-[(2,4-Dichlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole; 1-{2-[(2,4-dichlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl}-1H-imidazole; Albistat(nitrate); Andergin(nitrate); Conofite(nitrate); (+/-)-1-(2,4-DICHLORO-B-((2,4-DICHLOROBENZYL)OXY)PHENETHYL)IMIDAZOLE; (+/-)-Miconazole nitrate salt; 1-(2-(2,4-dichlorophenyl)-2-((2,4-dichlorophenyl)methoxy)ethyl)-1h-imidazole; imidazole, 1-(2-(2,4-dichlorophenyl)-2-((2,4-dichlorophenyl) methoxy)ethyl)- (9CI); Monista (nitrate); 1H-IMIDAZOLE, 1-2-((2,4-DICHLOROPHENYL)-2-((2,4-DICHLOROPHENYL))METHOXY)ETHYL)-, (+/-)-; Micantin (nitrate); (+-)-Miconazole; Novo-Miconazole Vaginal Ovules; Gyno-Daktar(nitrate); Lotrimin AF(nitrate); Epi-Monistat(nitrate); Monistat 7 Vaginal Suppositories; Zimybase; rac-miconazole; 1-(2,4-Dichloro-beta-[(2,4-dichlorobenzyl)oxy]phenethyl)imidazole; SR-01000000271; 1-(2-(2,4-dichlorobenzyloxy)-2-(2,4-dichlorophenyl)ethyl)-1H-imidazole; (RS)-miconazole; 1-(2-(2,4-Dichloro-benzyloxy)-2-(2,4-dichloro-phenyl)-ethyl)-1H-imidazole; 1-[2-(2,4-Dichloro-benzyloxy)-2-(2,4-dichloro-phenyl)-ethyl]-1H-imidazole; Prestwick_335; Oravig (TN); Miconazole (Monistat); Spectrum_000965; MICONAZOLE [MI]; MICONAZOLE [INN]; MICONAZOLE [JAN]; Prestwick0_000067; Prestwick1_000067; Prestwick2_000067; Prestwick3_000067; Spectrum2_001048; Spectrum3_000507; Spectrum4_000061; Spectrum5_001297; MICONAZOLE [VANDF]; bmse000924; (+-)-1-(2,4-Dichloro-beta-((2,4-dichlorobenzyl)oxy)phenethyl)imidazole; cid_4189; SCHEMBL2866; MICONAZOLE [WHO-DD]; Oprea1_091955; BSPBio_000253; BSPBio_002033; KBioGR_000581; KBioSS_001445; MLS002222203; DivK1c_000156; SPBio_000976; SPBio_002174; BPBio1_000279; CHEBI:6923; GTPL2449; Miconazole (JP17/USP/INN); MICONAZOLE [ORANGE BOOK]; SCHEMBL13934598; BDBM31772; KBio1_000156; KBio2_001445; KBio2_004013; KBio2_006581; KBio3_001533; A01AB09; A07AC01; D01AC02; G01AF04; J02AB01; S02AA13; NINDS_000156; HMS1568M15; HMS2090B21; HMS2095M15; HMS2232B14; HMS3374J10; HMS3656E14; HMS3712M15; HY-B0454; Tox21_110601; DL-448; s2536; STK834405; 1-(2,4-dichlorophenyl)-1-[(2,4-dichlorophenyl)methoxy]-2-imidazolylethane; AKOS001574474; AKOS016842489; CCG-220067; DB01110; DS-1881; MCULE-2106181573; 1H-Imidazole, 1-2-((2,4-dichlorophenyl)-2-((2,4-dichlorophenyl))methoxy)ethyl)-, (+-)-; IDI1_000156; NCGC00018294-02; NCGC00018294-04; NCGC00018294-06; NCGC00018294-08; NCI60_001353; NCI60_001380; SMR001307249; SY107559; SBI-0051448.P003; CAS-22916-47-8; DB-046018; AB00053500; NS00004552; SW196614-4; D00416; R18134; AB00053500-23; AB00053500-24; AB00053500-25; AB00053500_26; AB00053500_27; AB00053500_28; EN300-7370602; A878389; AE-641/01941016; Q410534; J-014898; SR-01000000271-5; BRD-A82396632-001-03-0; BRD-A82396632-008-02-7; 1-[2,4dichloro-beta-(2,4-dichlorobenzyloxy)phenethyl]imidazole; 1-[2,4-Dichloro-beta-([2,4-dichlorobenzyl]oxy)-phenethyl]imidazole; 1-[2,4-dichloro-beta-(2,4-dichlorobenzyloxy)-phenethyl]imidazole; 1-[2,4-dichloro-beta-(2,4-dichlorobenzyloxy)phenethyl]-imidazole; 1-[2,4-dichloro-beta-(2,4-dichlorobenzyloxy)phenethyl]imidazole; Imidazole,4-dichloro-.beta.-[(2,4-dichlorobenzyl)oxy]phenethyl]-; 1-[2,4-Dichloro-.beta.-[(2,4-dichlorobenzyl)oxy]phenethyl]imidazole; 1-[2-(2,4-dichlorobenzyloxy)-2-(2,4-dichlorophenyl)ethyl]imidazole; 1H-Imidazole,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-; Imidazole, 1-(2,4-dichloro-.beta.-((2,4-dichlorobenzyl)oxy)phenethyl)-; 1-((2RS)-2-(2,4-Dichlorobenzyloxy)-2-(2,4-dichlorophenyl)ethyl)-1H-imidazole; 1-[2-(2,4-dichlorobenzyl)oxy-2-(2,4-dichlorophenyl)ethyl]imidazole;nitric acid; 1-[2-(2,4-Dichlorophenyl)-2-[(2,4-dichlorophenyl)-methoxy]ethyl]-1H-imidazole; 1-[2-[(2,4-Dichlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole #; imidazole, 1-(2-(2,4-dichlorophenyl)-2-((2,4-dichlorophenyl) methoxy)ethyl)-; Imidazole, 1-(2-(2,4-dichlorophenyl)-2-((2,4-dichlorophenyl)methoxy)ethyl)- (9CI); rac-1-(2-(2,4-dichlorobenzyloxy)-2-(2,4-dichlorophenyl)ethyl)-1H-imidazole; 75319-47-0; Monistat, Daktarin IV, Miconazolo, Miconazolum, Dactarin, Miconazol, Minostate, Brentan, Florid(nitrate)	416.1	C18H14Cl4N2O	27	417	5.3	25	0	2	6	InChI=1S/C18H14Cl4N2O/c19-13-2-1-12(16(21)7-13)10-25-18(9-24-6-5-23-11-24)15-4-3-14(20)8-17(15)22/h1-8,11,18H,9-10H2	C1=CC(=C(C=C1Cl)Cl)COC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl	C1=CC(=C(C=C1Cl)Cl)COC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl	BYBLEWFAAKGYCD-UHFFFAOYSA-N	1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole
LDCM0140	Voriconazole	71616	Voriconazole; 137234-62-9; Vfend; (2R,3S)-2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol; UK-109496; (+/-)-Voriconazole; Voriconazol; Voriconazolum; Vorikonazole; Voriconazole Vfend; UK-109,496; (2R,3S)-2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol; DRG-0301; Voriconzole; VFEND I.V.; UNII-JFU09I87TR; 4-Pyrimidineethanol, alpha-(2,4-difluorophenyl)-5-fluoro-beta-methyl-alpha-(1H-1,2,4-triazol-1-ylmethyl)-, (alphaR,betaS)-; JFU09I87TR; NSC-759888; VCZ; CHEBI:10023; MFCD00905717; Voriconazole, (+/-)-; CHEMBL638; USG4B1CD29; CPD000466350; C16H14F3N5O; (R-(R*,S*))-alpha-(2,4-difluorophenyl)-5-fluoro-beta-methyl-alpha-(1H-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethanol; VRC; NSC 759888; 173967-54-9; 188416-29-7; VORICONAZOLE (MART.); VORICONAZOLE [MART.]; (2R,3S)-2-(2,4-Difluorophenyl)-3-(5-fluoro-4-pyrimidinyl)-1-((1H)-1,2,4-triazol-1-yl)-butan-2-ol; (alphaR,betaS)-alpha-(2,4-difluorophenyl)-5-fluoro-beta-methyl-alpha(1H-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethanol; 4-Pyrimidineethanol, alpha-(2,4-difluorophenyl)-5-fluoro-beta-methyl-alpha-(1H-1,2,4-triazol-1-ylmethyl)-, (R-(R*,S*))-; VORICONAZOLE (USP-RS); VORICONAZOLE [USP-RS]; UK 109496; Voriconazole [USAN:INN:BAN]; VORICONAZOLE (EP MONOGRAPH); VORICONAZOLE [EP MONOGRAPH]; VORICONAZOLE (USP MONOGRAPH); VORICONAZOLE [USP MONOGRAPH]; SMR000466350; Vfend (TN); DTXCID3026485; Voriconazole; (2R,3S)-2-(2,4-Difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol; Voriconazole- Bio-X; (alphaR,betaS)-alpha-(2,4-Difluorophenyl)-5-fluoro-beta-methyl-alpha-(1H-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethanol; Voriconazole in combination with MGCD290; VORICONAZOLE [MI]; VORICONAZOLE [INN]; VORICONAZOLE [JAN]; UNII-USG4B1CD29; VORICONAZOLE [USAN]; VORICONAZOLE [VANDF]; SCHEMBL36233; 2R,3S-2-(2,4-Difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol; MLS000759464; MLS001424082; MLS006010028; VORICONAZOLE [WHO-DD]; VORICONAZOLE [EMA EPAR]; Voriconazole (JP17/USP/INN); AMY8903; J02AC03; Voriconazole, >=98% (HPLC); BCPP000019; DTXSID201019420; HMS2051N09; HMS3260M22; HMS3713F12; Pharmakon1600-01502346; VORICONAZOLE [ORANGE BOOK]; (2R,3S/2S,3R)-2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol; Tox21_500150; Voriconazole 2.0 mg/ml in Methanol; AC-823; BDBM50333117; NSC759888; s1442; AKOS005145705; CCG-100941; CS-1227; DB00582; HY-W337569; KS-1157; NC00191; NCGC00164622-04; NCGC00164622-06; NCGC00164622-17; NCGC00260835-01; 4-Pyrimidineethanol, alpha-(2,4-difluorophenyl)-5-fluoro-beta-methyl-alpha-(1H-1,2,4-triazol-1-ylmethyl)-, (alphaR,betaS)-rel-; BV164532; HY-76200; ( inverted exclamation markA)-Voriconazole; CS-0448910; NS00007182; SW197571-2; V0116; C07622; D00578; EN300-119515; AB00639948-04; AB00639948-06; AB00639948_07; AB00639948_08; Voriconazole, VETRANAL(TM), analytical standard; A807215; Q412236; J-006986; Z1521553720; Voriconazole, European Pharmacopoeia (EP) Reference Standard; Voriconazole, United States Pharmacopeia (USP) Reference Standard; (2R,3S)-2,3-bis(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol; 2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1H-1,2,4-triazol-1-yl) butan-2-ol; 4-[[4-[2-(5-ethyl-2-pyridyl)ethoxy]phenyl]methylene]-1-oxo-1,3-thiazolidin-5-one; Voriconazole, Pharmaceutical Secondary Standard: Certified Reference Material; (.ALPHA.R,.BETA.S)-A-(2,4-DIFLUOROPHENYL)-5-FLUORO-.BETA.-METHYL-.ALPHA.-(1H-1,2,4-TRIAZOL-1-YLMETHYL)-4-PYRIMIDINEETHANOL; (2R,3S)-2-(2,4-Difluoro-phenyl)-3-(5-fluoro-pyrimidin-4-yl)-1-[1,2,4]triazol-1-yl-butan-2-ol; (2R,3S)-2-(2,4-difluorophenyl)-3-(5-fluoro-4-pyrimidinyl)-1-(1H-1,2,4-triazol-1-yl) butan-2-ol; (2R,3S)-2-(2,4-Difluorophenyl)-3-(5-fluoro-4-pyrimidinyl)-1-(1H-1,2,4-triazol-1-yl)-2-butanol; (2r,3s)-2-(2,4-difluorophenyl)-3-(5-fluoro-4-pyrimidinyl)-1-(1h-1,2,4-triazol-1-yl)butan-2-ol; 2R,3S-2-(2,4-Difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol-4-Pyrimidineethanol, ?-(2,4-difluorophenyl)-5-fluoro-?-methyl-?-(1H-1,2,4-triazol-1-ylmethyl)-,?(?R,?S)-; 4-PYRIMIDINEETHANOL, .ALPHA.-(2,4-DIFLUOROPHENYL)-5-FLUORO-.BETA.-METHYL-.ALPHA.-(1H-1,2,4-TRIAZOL-1-YLMETHYL)-, (.ALPHA.R,.BETA.S)-REL-; 4-PYRIMIDINEETHANOL, A-(2,4-DIFLUOROPHENYL)-5-FLUORO-.BETA.-METHYL-.ALPHA.-(1H-1,2,4-TRIAZOL-1-YLMETHYL)-, (.ALPHA.R,.BETA.S)-	349.31	C16H14F3N5O	76.7	448	1.5	25	1	8	5	InChI=1S/C16H14F3N5O/c1-10(15-14(19)5-20-7-22-15)16(25,6-24-9-21-8-23-24)12-3-2-11(17)4-13(12)18/h2-5,7-10,25H,6H2,1H3/t10-,16+/m0/s1	C[C@@H](C1=NC=NC=C1F)[C@](CN2C=NC=N2)(C3=C(C=C(C=C3)F)F)O	CC(C1=NC=NC=C1F)C(CN2C=NC=N2)(C3=C(C=C(C=C3)F)F)O	BCEHBSKCWLPMDN-MGPLVRAMSA-N	(2R,3S)-2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol
LDCM0141	Monensin	441145	monensin; monensin A; Monensic acid; Monensinum; Monensina; 17090-79-8; Monelan; Rumensin 90; A 3823A; Lilly 673140; UNII-906O0YJ6ZP; Elancoban; 906O0YJ6ZP; CHEBI:27617; HSDB 7031; ATCC 15413; Monensinum [INN-Latin]; EINECS 241-154-0; Monensina [INN-Spanish]; Rumensin; A-3823A; DTXSID4048561; Monensin [USAN:USP:INN:BAN]; Monensin (INN); MONENSIN [INN]; Monensinum (INN-Latin); Monensina (INN-Spanish); MONENSIN (MART.); MONENSIN [MART.]; MONENSIN (USP IMPURITY); MONENSIN [USP IMPURITY]; MONENSIN (USP MONOGRAPH); MONENSIN [USP MONOGRAPH]; Monensin (USAN:USP:INN:BAN); (2S,3R,4S)-4-[(2S,5R,7S,8R,9S)-2-{(2S,2'R,3'S,5R,5'R)-2-ethyl-5'-[(2S,3S,5R,6R)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyltetrahydro-2H-pyran-2-yl]-3'-methyloctahydro-2,2'-bifuran-5-yl}-9-hydroxy-2,8-dimethyl-1,6-dioxaspiro[4.5]dec-7-yl]-3-methoxy-2-methylpentanoic acid; 1,6-Dioxaspiro(4.5)decane-7-butyric acid, 2-(5-ethyltetrahydro-5-(tetrahydro-3-methyl-5-(tetrahydro-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyl-2H-pyran-2-yl)-2-furyl)-2-furyl)-9-hydroxy-beta-methoxy-alpha,gamma,2,8-tetramethyl-; 4-(2-(2-ETHYL-3'-METHYL-5'-(TETRAHYDRO-6-HYDROXY-6-HYDROXYMETHYL-3,5-DIMETHYLPYRAN-2-YL)PERHYDRO-2,2'-BIFURAN-5-YL)-9-HYDROXY-2,8-DIMETHYL-1,6-DIOXASPIRO(4.5)DEC-7-YL)3-METHOXY-2-METHYLPENTANOIC ACID; Coban (as sodium salt); Rumensin (as sodium salt); Monensine; Monensin Granulated; (2S,3R,4S)-4-((2S,5R,7S,8R,9S)-2-((2S,2'R,3'S,5R,5'R)-2-ethyl-5'-((2S,3S,5R,6R)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyltetrahydro-2H-pyran-2-yl)-3'-methyloctahydro-2,2'-bifuran-5-yl)-9-hydroxy-2,8-dimethyl-1,6-dioxaspiro(4.5)dec-7-yl)-3-methoxy-2-methylpentanoic acid; 2-(5-ETHYLTETRAHYDRO-5-(TETRAHYDRO-3-METHYL-5-(TETRAHYDRO-6-HYDROXY-6-(HYDROXYMETHYL)-3,5-DIMETHYL-2H-PYRAN-2-YL)-2-FURYL)-2-FURYL)-9-HYDROXY-.BETA.-METHOXY-.ALPHA.,.GAMMA.,2,8-TETRAMETHYL-1,6-DIOXASPIRO(4.5)DECANE-7-BUTYRIC ACID; 2-[5-Ethyltetrahydro-5-[tetrahydro-3-methyl-5-[tetrahydro-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyl-2H-pyran-2-yl]-2-furyl]-2-furyl]-9-hydroxy-.beta.-methoxy-.alpha.,.gamma.,2,8-tetramethyl-1,6-dioxaspiro[4.5]decane-7-butyric acid; Monovet 90; Monensinum (Latin); Coban 90; CycleGuard and Monovet; Elancoban (veterinary); NSC343257; MONENSINSODIUMSALT; MONENSIN [HSDB]; MONENSIN [USAN]; MONENSIN [MI]; Prestwick3_000748; SCHEMBL55367; BSPBio_000736; Elancoban [veterinary] (TN); MONENSIN [GREEN BOOK]; BPBio1_000810; CHEMBL256105; DTXCID7028190; HY-N4302; AKOS015964837; DB11430; E714; Stereoisomer of 2-(2-ethyloctahydro-3'-methyl-5'-(tetrahydro-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyl-2H-pyran-2-yl)(2,2'-bifuran-5-yl))-9-hydroxy-beta-methoxy-alpha,gamma,2,8-tetramethyl-1,6-dioxaspiro(4.5)decan-7-butanoic acid; CS-0032703; NS00000169; C06693; D08228; J-010665; Q3493048; SR-05000013702-2; BRD-K55375480-236-03-0; (2S,3R,4S)-4-[(3S,5R,7S,8R,9S)-3-[(2R,5S)-5-ethyl-5-[(2R,3S,5R)-5-[(2S,3S,5R,6R)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyl-tetrahydropyran-2-yl]-3-methyl-tetrahydrofuran-2-yl]tetrahydrofuran-2-yl]-7-hydroxy-3,8-dimethyl-4,10-dioxaspiro[4.5]decan-9-yl]-3-methoxy-2-methyl-pentanoic acid; 2-(2-ETHYLOCTAHYDRO-3'-METHYL-5'-(TETRAHYDRO-6-HYDROXY-6-(HYDROXYMETHYL)-3,5-DIMETHYL-2H-PYRAN-2-YL)(2,2'-BIFURAN-5-YL))-9-HYDROXY-.BETA.-METHOXY-.ALPHA.,.GAMMA.,2,8-TETRAMETHYL-1,6-DIOXASPIRO(4.5)DECAN-7-BUTANOIC ACID; 2-(2-ETHYLOCTAHYDRO-3'-METHYL-5'-(TETRAHYDRO-6-HYDROXY-6-(HYDROXYMETHYL)-3,5-DIMETHYL-2H-PYRAN-2-YL)(2,2'-BIFURAN-5-YL))-9-HYDROXY-beta-METHOXY-alpha,gamma,2,8-TETRAMETHYL-1,6-DIOXASPIRO(4.5)DECAN-7-BUTANOIC ACID; 2-(5-ETHYLTETRAHYDRO-5-(TETRAHYDRO-3-METHYL-5-(TETRAHYDRO-6-HYDROXY-6-(HYDROXYMETHYL)-3,5-DIMETHYL-2H-PYRAN-2-YL)-2-FURYL)-2-FURYL)-9-HYDROXY-beta-METHOXY-alpha,gamma,2,8-TETRAMETHYL-1,6-DIOXASPIRO(4.5)DECANE-7-BUTYRIC ACID; Pasture Gainer Block 20 R350, Pasture Gainer Block 20 R350 No SE, Pasture Gainer Block 37 R350, Pasture Gainer Block 37 R350 No SE	670.9	C36H62O11	153	1110	4.2	47	4	11	10	InChI=1S/C36H62O11/c1-10-34(31-20(3)16-26(43-31)28-19(2)15-21(4)36(41,18-37)46-28)12-11-27(44-34)33(8)13-14-35(47-33)17-25(38)22(5)30(45-35)23(6)29(42-9)24(7)32(39)40/h19-31,37-38,41H,10-18H2,1-9H3,(H,39,40)/t19-,20-,21+,22+,23-,24-,25-,26+,27+,28-,29+,30-,31+,33-,34-,35+,36-/m0/s1	CC[C@]1(CC[C@@H](O1)[C@@]2(CC[C@@]3(O2)C[C@@H]([C@H]([C@H](O3)[C@@H](C)[C@H]([C@H](C)C(=O)O)OC)C)O)C)[C@H]4[C@H](C[C@@H](O4)[C@@H]5[C@H](C[C@H]([C@@](O5)(CO)O)C)C)C	CCC1(CCC(O1)C2(CCC3(O2)CC(C(C(O3)C(C)C(C(C)C(=O)O)OC)C)O)C)C4C(CC(O4)C5C(CC(C(O5)(CO)O)C)C)C	GAOZTHIDHYLHMS-KEOBGNEYSA-N	(2S,3R,4S)-4-[(2S,5R,7S,8R,9S)-2-[(2R,5S)-5-ethyl-5-[(2R,3S,5R)-5-[(2S,3S,5R,6R)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-3-methyloxolan-2-yl]oxolan-2-yl]-7-hydroxy-2,8-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]-3-methoxy-2-methylpentanoic acid
LDCM0142	TTFA	5601	2-Thenoyltrifluoroacetone; 326-91-0; THENOYLTRIFLUOROACETONE; 4,4,4-Trifluoro-1-(2-thienyl)-1,3-butanedione; 1,3-Butanedione, 4,4,4-trifluoro-1-(2-thienyl)-; 4,4,4-trifluoro-1-(thiophen-2-yl)butane-1,3-dione; Perfluoroacetyl(2-thenoyl)methane; alpha-Thenoyltrifluoroacetone; 1-Thenoyl-3,3,3-trifluoroacetone; 1,1,1-Trifluoro-3-(2-thenoyl)acetone; 1-(2-Thenoyl)-3,3,3-trifluoroacetone; 4,4,4-Trifluoro-1-(2-thienyl)butane-1,3-dione; .alpha.-Thenoyltrifluoroacetone; 4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-dione; NSC 66544; MYQ9MNW7NI; MFCD00005445; 4,4,4-TRIFLUORO-1-THIEN-2-YLBUTANE-1,3-DIONE; TTB; CHEMBL1236433; NSC-66544; 29463-74-9; 1,3-Butanedione, 4,4,4-trifluoro-1-(thienyl)- (7CI,8CI,9CI); UNII-MYQ9MNW7NI; EINECS 206-316-7; AI3-31295; 2-Theonyltrifluoroacetone; SCHEMBL195358; 1-Thenoyl-3,3-trifluoroacetone; 2-Thenoyltrifluoroacetone, 99%; DTXSID1059812; TXBBUSUXYMIVOS-UHFFFAOYSA-; HMS3604B13; BCP21685; HY-D0190; NSC66544; BBL014250; BDBM50248361; HSCI1_000376; STK020843; 1,1-Trifluoro-3-(2-thenoyl)acetone; AKOS000119762; AC-4921; CCG-207997; CS-W020091; DB04795; DS-1137; MCULE-7481288995; PS-6790; 1, 4,4,4-trifluoro-1-(2-thienyl)-; SY004998; DB-001234; 1-(Thenoyl-(2'))-3,3,3-trifluoroacetone; AM20090477; EU-0000019; NS00041862; T0438; EN300-18351; F11231; 1-(2-thienyl)-4,4,4-trifluoro-1,3-butanedione; 2-Thenoyltrifluoroacetone, purum, >=97.0% (GC); 4,4,4-Trifluoro-1-(2-thienyl)-1,3-Butanedion; A821374; SR-01000388942; 1-(Thien-2-yl)-4,4,4-trifluorobutane-1,3-dione; Q-200324; Q5933755; SR-01000388942-1; BRD-K00959089-001-01-4; Z57201518; F0346-3664; 1,1,1-trifluoro-5-(2-thienyl)pentane-2,4-dione;2-Thenoyltrifluoroacetone; 2-Thenoyltrifluoroacetone pound>>4,4,4-trifluoro-1-(thiophen-2-yl)butane-1,3-dione; 2-Thenoyltrifluoroacetone, for spectrophotometric det. of metal ions, >=99.0%; InChI=1/C8H5F3O2S/c9-8(10,11)7(13)4-5(12)6-2-1-3-14-6/h1-3H,4H2	222.19	C8H5F3O2S	62.4	250	2.2	14	0	6	3	InChI=1S/C8H5F3O2S/c9-8(10,11)7(13)4-5(12)6-2-1-3-14-6/h1-3H,4H2	C1=CSC(=C1)C(=O)CC(=O)C(F)(F)F	C1=CSC(=C1)C(=O)CC(=O)C(F)(F)F	TXBBUSUXYMIVOS-UHFFFAOYSA-N	4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-dione
LDCM0143	Bafilomycin A1	6436223	bafilomycin A1; 88899-55-2; MFCD06795130; CHEMBL290814; CHEBI:22689; (3Z,5E,7R,8S,9S,11E,13E,15S,16R)-16-{(2S,3R,4S)-4-[(2R,4R,5S,6R)-2,4-dihydroxy-6-isopropyl-5-methyltetrahydro-2H-pyran-2-yl]-3-hydroxypentan-2-yl}-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyloxacyclohexadeca-3,5,11,13-tetraen-2-one; BafA1; C35H58O9; NSC381866; Hygrolidin, 21-O-de(3-carboxy-1-oxo-2-propenyl)-2-demethyl-2-methoxy-24-methyl-; Bafilomycin A1 from Streptomyces griseus; BSPBio_001470; MEGxm0_000385; SCHEMBL13775181; ACon0_000813; XDHNQDDQEHDUTM-JQWOJBOSSA-N; HMS3402J12; BDBM50064186; HB1125; AKOS030213158; DB06733; NCGC00163426-02; Q4841341; (3Z,5E,7R,8S,9S,11E,13E,15S,16R)-16-[(1S,2R,3S)-3-[(2R,4R,5S,6R)-2,4-dihydroxy-6-isopropyl-5-methyl-tetrahydropyran-2-yl]-2-hydroxy-1-methyl-butyl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one	622.8	C35H58O9	135	1060	6	44	4	9	7	InChI=1S/C35H58O9/c1-19(2)32-24(7)27(36)18-35(40,44-32)26(9)31(38)25(8)33-28(41-10)14-12-13-20(3)15-22(5)30(37)23(6)16-21(4)17-29(42-11)34(39)43-33/h12-14,16-17,19,22-28,30-33,36-38,40H,15,18H2,1-11H3/b14-12+,20-13+,21-16+,29-17-/t22-,23+,24-,25-,26-,27+,28-,30-,31+,32+,33+,35+/m0/s1	C[C@H]1C/C(=C/C=C/[C@@H]([C@H](OC(=O)/C(=C/C(=C/[C@H]([C@H]1O)C)/C)/OC)[C@@H](C)[C@H]([C@H](C)[C@]2(C[C@H]([C@@H]([C@H](O2)C(C)C)C)O)O)O)OC)/C	CC1CC(=CC=CC(C(OC(=O)C(=CC(=CC(C1O)C)C)OC)C(C)C(C(C)C2(CC(C(C(O2)C(C)C)C)O)O)O)OC)C	XDHNQDDQEHDUTM-JQWOJBOSSA-N	(3Z,5E,7R,8S,9S,11E,13E,15S,16R)-16-[(2S,3R,4S)-4-[(2R,4R,5S,6R)-2,4-dihydroxy-5-methyl-6-propan-2-yloxan-2-yl]-3-hydroxypentan-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one
LDCM0144	2-Deoxy-D-glucose	439268	D-Arabino-2-deoxyhexose; 2-deoxy-d-glucopyranose; CHEBI:84755; 2-Deoxy-D-arabino-hexopyranose; (4R,5S,6R)-6-(Hydroxymethyl)tetrahydro-2H-pyran-2,4,5-triol; 2-Deoxyhexose; (4R,5S,6R)-6-(hydroxymethyl)tetrahydropyran-2,4,5-triol; (4R,5S,6R)-6-(Hydroxymethyl)oxane-2,4,5-triol; NSC 15193; SMR000857164; 2-deoxy-glucose; 2-deoxyglucopyranose; 2-deoxymannopyranose; 2-dGlc; [3H]2-deoxyglucose; [3H]-2-deoxyglucose; starbld0016184; 2-deoxy-D-mannopyranose; SCHEMBL7669; MLS001332441; MLS001332442; GTPL4643; CHEMBL1377788; 2-Deoxy-D-glucose, Min. 98%; Bio1_000485; Bio1_000974; Bio1_001463; DTXSID501019205; HMS2234M06; MFCD00007013; s4701; AKOS024458197; AC-2616; BS-1031; CCG-266307; CS-1718; NCGC00247029-01; NCGC00247029-04; HY-13966; NS00073997; C00586; (4R,5S,6R)-6-methyloltetrahydropyran-2,4,5-triol	164.16	C6H12O5	90.2	128	-1.6	11	4	5	1	InChI=1S/C6H12O5/c7-2-4-6(10)3(8)1-5(9)11-4/h3-10H,1-2H2/t3-,4-,5?,6+/m1/s1	C1[C@H]([C@@H]([C@H](OC1O)CO)O)O	C1C(C(C(OC1O)CO)O)O	PMMURAAUARKVCB-CERMHHMHSA-N	(4R,5S,6R)-6-(hydroxymethyl)oxane-2,4,5-triol
LDCM0145	MCC950	9910393	MCC950; 210826-40-7; CP-456773; MCC-950; N-((1,2,3,5,6,7-hexahydro-s-indacen-4-yl)carbamoyl)-4-(2-hydroxypropan-2-yl)furan-2-sulfonamide; CRID3; CP-456,773; 6RS86E2BWQ; UNII-6RS86E2BWQ; 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylurea; CHEMBL3183703; DTXSID2047301; N-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl)-4-(2-hydroxypropan-2-yl)furan-2-sulfonamide; N-[[(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)amino]carbonyl]-4-(1-hydroxy-1-methylethyl)-2-furansulfonamide; 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[4-(2-oxidanylpropan-2-yl)furan-2-yl]sulfonyl-urea; MFCD30478884; 7YN; GTPL8228; SCHEMBL6521858; DTXCID0027301; BCP15729; EX-A1052; Tox21_300462; BDBM50155926; MFCD28900720; s8930; AKOS030238802; AS-5972; SB19010; NCGC00248064-01; NCGC00254269-01; AC-35299; HY-12815; SY242180; CAS-210826-40-7; A879261; EN300-24107374; Q27083691; 1-(1,2,3,5,6,7-HEXAHYDRO-S-INDACEN-4-YL)-3-[4-(2-HYDROXYPROPAN-2-YL)FURAN-2-YLSULFONYL]UREA; 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-{[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonyl}urea; 8GI; CP 45677; CRID-3;N-[[(1,2,3,5,6,7-Hexahydro-s-indacen-4-yl)amino]carbonyl]-4-(1-hydroxy-1-methylethyl)-2-furansulfonamide;N-((1,2,3,5,6,7-Hexahydro-s-indacen-4-yl)carbamoyl)-4-(2-hydroxypropan-2-yl)furan-2-sulfonamid	404.5	C20H24N2O5S	117	684	3.4	28	3	5	4	InChI=1S/C20H24N2O5S/c1-20(2,24)14-10-17(27-11-14)28(25,26)22-19(23)21-18-15-7-3-5-12(15)9-13-6-4-8-16(13)18/h9-11,24H,3-8H2,1-2H3,(H2,21,22,23)	CC(C)(C1=COC(=C1)S(=O)(=O)NC(=O)NC2=C3CCCC3=CC4=C2CCC4)O	CC(C)(C1=COC(=C1)S(=O)(=O)NC(=O)NC2=C3CCCC3=CC4=C2CCC4)O	HUUSXLKCTQDPGL-UHFFFAOYSA-N	1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylurea
LDCM0146	AZ9482	92045137	AZ9482; 1825345-33-2; 2-(4-(3-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)benzoyl)piperazin-1-yl)nicotinonitrile; 2-[4-[3-[(4-Oxidanylidene-3~{h}-Phthalazin-1-Yl)methyl]phenyl]carbonylpiperazin-1-Yl]pyridine-3-Carbonitrile; CHEMBL3740104; 2-[4-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]pyridine-3-carbonitrile; 2-(4-{3-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl}piperazin-1-yl)pyridine-3-carbonitrile; SCHEMBL22022388; BCP20636; BDBM50499821; AKOS040745013; AZ-9482; MS-28171; AZ-9482; AZ 9482; HY-119653; CS-0077206; E75176; Q27455871; 5N2	450.5	C26H22N6O2	102	842	2.6	34	1	6	4	InChI=1S/C26H22N6O2/c27-17-20-7-4-10-28-24(20)31-11-13-32(14-12-31)26(34)19-6-3-5-18(15-19)16-23-21-8-1-2-9-22(21)25(33)30-29-23/h1-10,15H,11-14,16H2,(H,30,33)	C1CN(CCN1C2=C(C=CC=N2)C#N)C(=O)C3=CC=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54	C1CN(CCN1C2=C(C=CC=N2)C#N)C(=O)C3=CC=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54	ZDDPBFWHZOJFHF-UHFFFAOYSA-N	2-[4-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]pyridine-3-carbonitrile
LDCM0147	AZ0108	122423373	AZ0108; CHEMBL3740897; 1825345-52-5; SCHEMBL17941342; NWGMIELHSCQGOG-ZDUSSCGKSA-N; BDBM50499822; 4-[[3-[(6S)-3-(1,1-difluoroethyl)-6-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]phenyl]-difluoromethyl]-2H-phthalazin-1-one	500.4	C24H20F4N6O2	92.5	917	2.8	36	1	9	4	InChI=1S/C24H20F4N6O2/c1-13-11-34-18(29-32-22(34)23(2,25)26)12-33(13)21(36)14-6-5-7-15(10-14)24(27,28)19-16-8-3-4-9-17(16)20(35)31-30-19/h3-10,13H,11-12H2,1-2H3,(H,31,35)/t13-/m0/s1	C[C@H]1CN2C(=NN=C2C(C)(F)F)CN1C(=O)C3=CC(=CC=C3)C(C4=NNC(=O)C5=CC=CC=C54)(F)F	CC1CN2C(=NN=C2C(C)(F)F)CN1C(=O)C3=CC(=CC=C3)C(C4=NNC(=O)C5=CC=CC=C54)(F)F	NWGMIELHSCQGOG-ZDUSSCGKSA-N	4-[[3-[(6S)-3-(1,1-difluoroethyl)-6-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]phenyl]-difluoromethyl]-2H-phthalazin-1-one
LDCM0148	Olaparib	23725625	Olaparib; 763113-22-0; AZD2281; Lynparza; AZD-2281; KU-0059436; AZD 2281; 1-(Cyclopropylcarbonyl)-4-[5-[(3,4-dihydro-4-oxo-1-phthalazinyl)methyl]-2-fluorobenzoyl]piperazine; OLAPARIB cpd; 4-(3-(4-(Cyclopropanecarbonyl)piperazine-1-carbonyl)-4-fluorobenzyl)phthalazin-1(2H)-one; KU-59436; UNII-WOH1JD9AR8; WOH1JD9AR8; Olaparib (AZD-2281); Olaparib (AZD2281, Ku-0059436); Olaparibum; Olaparib [USAN:INN]; AZ2281; NSC-747856; AZD221; CHEBI:83766; 4-[[3-[4-(Cyclopropanecarbonyl)piperazine-1-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one; MFCD13185161; AZ-2281; KEYLYNK-010 COMPONENT OLAPARIB; KU59436; KU 59436; 4-(3-{[4-(Cyclopropylcarbonyl)piperazin-1-Yl]carbonyl}-4-Fluorobenzyl)phthalazin-1(2h)-One; 4-[3-(4-Cyclopropanecarbonyl-piperazine-1-carbonyl)-4-fluoro-benzyl]-2H-phthalazin-1-one; NSC 747856; OLAPARIB COMPONENT OF KEYLYNK-010; OLAPARIB (MART.); OLAPARIB [MART.]; Olaparib (DISCONTINUED); Olaparib [INN]; (2H)-Phthalazinone, 4-((3-((4-(cyclopropylcarbonyl)-1-piperazinyl)carbonyl)-4-fluorophenyl)methyl)-; 1(2H)-Phthalazinone, 4-[[3-[[4-(cyclopropylcarbonyl)-1-piperazinyl]carbonyl]-4-fluorophenyl]methyl]-; 4-[(3-{[4-(Cyclopropylcarbonyl)piperazin-1-yl]carbonyl}-4-fluorophenyl)methyl]phthalazin-1(2H)-one; PIPERAZINE, 1-(CYCLOPROPYLCARBONYL)-4-(5-((3,4-DIHYDRO-4-OXO-1-PHTHALAZINYL)METHYL)-2-FLUOROBENZOYL)-; Olaparib (AZD2281; Ku-0059436); C24H23FN4O3; Olaparib (AZD2281); 4-(3-((4-(cyclopropylcarbonyl)piperazin-1-yl)carbonyl)-4-fluorobenzyl)phthalazin-1(2H)-one; 4-[3-[4-(Cyclopropanecarbonyl)piperazine-1-carbonyl]-4-fluorobenzyl]phthalazin-1(2H)-one; Olaparib- Bio-X; Lynparza (TN); 09L; 1(2H)-PHTHALAZINONE, 4-((3-((4-(CYCLOPROPYLCARBONYL)-1-PIPERAZINYL)CARBONYL)-4-FLUOROPHENYL)METHYL)-; 4-((3-((4-(CYCLOPROPYLCARBONYL)PIPERAZIN-1-YL)CARBONYL)-4-FLUOROPHENYL)METHYL)PHTHALAZIN-1(2H)-ONE; 4-((3-{(4-(cyclopropylcarbonyl)piperazin-1-yl)carbonyl}-4-fluorophenyl)methyl)phthalazin-1(2H)-one; 4-[[3-[[4-(Cyclopropylcarbonyl)-1-piperazinyl]carbonyl]-4-fluorophenyl]methyl]-1(2H)-phthalazinone; AZD 2281; KU 0059436; KU 59436; 1-(Cyclopropylcarbonyl)-4-[5-[(3,4-dihydro-4-oxo-1-phthalazinyl)methyl]-2-fluorobenzoyl]piperazine;; AZD2281(olaparib); OLAPARIB [USAN]; OLAPARIB [JAN]; OLAPARIB [MI]; OLAPARIB [VANDF]; OLAPARIB [WHO-DD]; AZD-2281 (Olaparib); PARP inhibitor AZD2281; Olaparib (JAN/USAN/INN); 937799-91-2; MLS006010185; SCHEMBL426568; Olaparib, KU-0059436; OLAPARIB [ORANGE BOOK]; CHEMBL521686; GTPL7519; BDBM27566; DTXSID60917988; EX-A002; L01XX46; FDLYAMZZIXQODN-UHFFFAOYSA-N; BCPP000360; GLXC-02796; HMS3295I09; HMS3426C03; HMS3654G13; HMS3746K07; HMS3870H03; AMY10295; BCP01872; 763113-22-0, Lynparza,; NSC747856; NSC753686; s1060; AKOS005145764; AC-7939; BCP9000363; CCG-264799; CS-0075; DB09074; EX-7210; NSC-753686; SB14617; SS-4573; AZD2281,Olaparib, KU-0059436; NCGC00238451-01; NCGC00238451-02; NCGC00238451-08; NCGC00238451-09; NCGC00238451-11; 4-[(3-{[4-Cyclopropylcarbonyl)piperazin-4-yl]carbonyl}-4-fluorophenyl)methyl]phtalazin-1(2H)-one; 4-[[3-[[4-(Cyclopropylcarbonyl)-1-piperazinyl]carbonyl]-4-fluorophenyl]methyl]-1(2H)-phthalazinone; 4-{[3-(4-cyclopropanecarbonylpiperazine-1-carbonyl)-4-fluorophenyl]methyl}-1,2-dihydrophthalazin-1-one; BO164169; HY-10162; SMR004701291; SY040527; A9666; NS00072449; SW218142-2; D09730; EN300-7542225; J-503540; Q7083106; AZD2281 , KU0059436; BRD-K02113016-001-08-9; BRD-K02113016-001-09-7; Z2227698469; 1-(cyclopropylcarbonyl)-4-[5-[(3,4-dihydro-4-oxo-1-phthalazine; 4-(3-(1-(cyclopropanecarbonyl)piperazine-4-carbonyl)-4-fluorobenzyl)phthalazin-1(2H)-one; 1021843-02-6; 4-({3-[(4-cyclopropanecarbonylpiperazin-1-yl)carbonyl]-4-fluorophenyl}methyl)-1,2-dihydrophthalazin-1-one	434.5	C24H23FN4O3	82.1	790	1.9	32	1	5	4	InChI=1S/C24H23FN4O3/c25-20-8-5-15(14-21-17-3-1-2-4-18(17)22(30)27-26-21)13-19(20)24(32)29-11-9-28(10-12-29)23(31)16-6-7-16/h1-5,8,13,16H,6-7,9-12,14H2,(H,27,30)	C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F	C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F	FDLYAMZZIXQODN-UHFFFAOYSA-N	4-[[3-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one
LDCM0149	GA	.	gambogic acid; 2752-65-0; gamboge acid; beta-Guttiferin; Isogambogic acid; GAMBOGICACID; Epigambogic acid; 4-[12-hydroxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11,15-pentaen-19-yl]-2-methylbut-2-enoic acid; Gambogic Acid?; 149655-52-7; Spectrum_000175; Spectrum2_000388; Spectrum3_000707; Spectrum4_001940; KBioGR_002321; KBioSS_000655; DivK1c_001020; SPBio_000575; KBio1_001020; KBio2_000655; KBio2_003223; KBio2_005791; KBio3_001713; NINDS_001020; 887606-04-4; NS00018046; BRD-A37011749-001-03-1; 4-[12-hydroxy-8,21,21-trimethyl-5-(3-methylbut-2-en-1-yl)-8-(4-methylpent-3-en-1-yl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.0(2),(1)?.0(2),(1)?.0?,(1)(3).0?,(1)(1)]docosa-4(13),5,9,11,15-pentaen-19-yl]-2-methylbut-2-enoic acid	628.7	C38H44O8	119	1490	7.3	46	2	8	8	InChI=1S/C38H44O8/c1-20(2)10-9-15-36(8)16-14-24-29(39)28-30(40)26-18-23-19-27-35(6,7)46-37(33(23)41,17-13-22(5)34(42)43)38(26,27)45-32(28)25(31(24)44-36)12-11-21(3)4/h10-11,13-14,16,18,23,27,39H,9,12,15,17,19H2,1-8H3,(H,42,43)	CC(=CCCC1(C=CC2=C(C3=C(C(=C2O1)CC=C(C)C)OC45C6CC(C=C4C3=O)C(=O)C5(OC6(C)C)CC=C(C)C(=O)O)O)C)C	CC(=CCCC1(C=CC2=C(C3=C(C(=C2O1)CC=C(C)C)OC45C6CC(C=C4C3=O)C(=O)C5(OC6(C)C)CC=C(C)C(=O)O)O)C)C	GEZHEQNLKAOMCA-UHFFFAOYSA-N	4-[12-hydroxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11,15-pentaen-19-yl]-2-methylbut-2-enoic acid
LDCM0150	Hoch_cp18	154699452	compound 18 [PMID: 32330443]; GTPL11157; (E)-4-(8-hydroxy-2,2-dimethyl-4,7-dioxo-1,2,5,7-tetrahydro-1,5-methanofuro[2,3-d]xanthen-3a(4H)-yl)-2-methylbut-2-en-1-yl nicotinate	501.5	C29H27NO7	112	1080	3.7	37	1	8	6	InChI=1S/C29H27NO7/c1-16(15-35-26(34)17-6-5-11-30-14-17)9-10-28-25(33)18-12-19-24(32)23-20(31)7-4-8-21(23)36-29(19,28)22(13-18)27(2,3)37-28/h4-9,11-12,14,18,22,31H,10,13,15H2,1-3H3/b16-9+	C/C(=C\CC12C(=O)C3CC(C14C(=C3)C(=O)C5=C(C=CC=C5O4)O)C(O2)(C)C)/COC(=O)C6=CN=CC=C6	CC(=CCC12C(=O)C3CC(C14C(=C3)C(=O)C5=C(C=CC=C5O4)O)C(O2)(C)C)COC(=O)C6=CN=CC=C6	ZSOFJUIAJLLJBK-CXUHLZMHSA-N	[(E)-4-(8-hydroxy-17,17-dimethyl-10,14-dioxo-3,16-dioxapentacyclo[11.4.1.02,11.02,15.04,9]octadeca-4,6,8,11-tetraen-15-yl)-2-methylbut-2-enyl] pyridine-3-carboxylate
LDCM0151	AZ-11	431238	3-(4-methoxyphenyl)-2H-azirine	147.17	C9H9NO	21.6	168	1.5	11	0	2	2	InChI=1S/C9H9NO/c1-11-8-4-2-7(3-5-8)9-6-10-9/h2-5H,6H2,1H3	COC1=CC=C(C=C1)C2=NC2	COC1=CC=C(C=C1)C2=NC2	VCGKHYBNHSSOHT-UHFFFAOYSA-N	3-(4-methoxyphenyl)-2H-azirine
LDCM0152	DR	130364451	CHEMBL4087485; US10370360, Example 1; SCHEMBL19281464; YXESXLYKZKCWFJ-UHFFFAOYSA-N; BDBM410049; BDBM50260025; N-(3-(trifluoromethyl)-5-((4-methylpiperazin-1-yl)methyl)phenyl)-1,2,3,4-tetrahydro-4-methyl-2-(pyrimidin-5-yl)isoquinoline-7-carboxamide	524.6	C28H31F3N6O	64.599	785	3.5	38	1	9	5	InChI=1S/C28H31F3N6O/c1-19-15-37(25-13-32-18-33-14-25)17-22-11-21(3-4-26(19)22)27(38)34-24-10-20(9-23(12-24)28(29,30)31)16-36-7-5-35(2)6-8-36/h3-4,9-14,18-19H,5-8,15-17H2,1-2H3,(H,34,38)	CC1CN(CC2=C1C=CC(=C2)C(=O)NC3=CC(=CC(=C3)C(F)(F)F)CN4CCN(CC4)C)C5=CN=CN=C5	CC1CN(CC2=C1C=CC(=C2)C(=O)NC3=CC(=CC(=C3)C(F)(F)F)CN4CCN(CC4)C)C5=CN=CN=C5	YXESXLYKZKCWFJ-UHFFFAOYSA-N	4-methyl-N-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-2-pyrimidin-5-yl-3,4-dihydro-1H-isoquinoline-7-carboxamide
LDCM0153	LEI-401	145998143	LEI-401; 2393840-15-6; N-(cyclopropylmethyl)-6-[(3S)-3-hydroxy-1-pyrrolidinyl]-2-[(3S)-3-phenyl-1-piperidinyl]-4-pyrimidinecarboxamide; CHEMBL4794048; N-(cyclopropylmethyl)-6-[(3S)-3-hydroxypyrrolidin-1-yl]-2-[(3S)-3-phenylpiperidin-1-yl]pyrimidine-4-carboxamide; CID 145998143; LEI401; GTPL11054; BDBM50557066; AKOS040756168; MS-27402; N-(Cyclopropylmethyl)-6-((S)-3-hydroxypyrrolidin-1-yl)-2-((S)-3-phenylpiperidin-1-yl)pyrimidine-4-carboxamide; HY-131181; CS-0130192; G17470	421.5	C24H31N5O2	81.6	609	3.2	31	2	6	6	InChI=1S/C24H31N5O2/c30-20-10-12-28(16-20)22-13-21(23(31)25-14-17-8-9-17)26-24(27-22)29-11-4-7-19(15-29)18-5-2-1-3-6-18/h1-3,5-6,13,17,19-20,30H,4,7-12,14-16H2,(H,25,31)/t19-,20+/m1/s1	C1C[C@H](CN(C1)C2=NC(=CC(=N2)N3CC[C@@H](C3)O)C(=O)NCC4CC4)C5=CC=CC=C5	C1CC(CN(C1)C2=NC(=CC(=N2)N3CCC(C3)O)C(=O)NCC4CC4)C5=CC=CC=C5	GFHJYPQZBBHOCC-UXHICEINSA-N	N-(cyclopropylmethyl)-6-[(3S)-3-hydroxypyrrolidin-1-yl]-2-[(3S)-3-phenylpiperidin-1-yl]pyrimidine-4-carboxamide
LDCM0154	YY4	.	.	496.051	C28H34ClN3O3	53.09	495.2288696	3.8264	35	0	4	7	InChI=1S/C28H34ClN3O3/c29-19-27(33)32(24-9-10-24)26-11-12-31(20-23(26)17-21-5-2-1-3-6-21)28(34)22-7-4-8-25(18-22)30-13-15-35-16-14-30/h1-8,18,23-24,26H,9-17,19-20H2	O=C(c1cccc(N2CCOCC2)c1)N1CCC(N(C(=O)CCl)C2CC2)C(Cc2ccccc2)C1	O=C(c1cccc(N2CCOCC2)c1)N1CCC(N(C(=O)CCl)C2CC2)C(Cc2ccccc2)C1	OOEHLRZQTURESL-UHFFFAOYSA-N	.
LDCM0155	UK-5099	6438504	56396-35-1; UK-5099; 2-Cyano-3-(1-phenylindol-3-yl)acrylate; UK 5099; 2-Cpiya; (E)-2-cyano-3-(1-phenylindol-3-yl)prop-2-enoic acid; (E)-2-cyano-3-(1-phenyl-1H-indol-3-yl)acrylic acid; CHEMBL4303684; 2-Cyano-3-(1-phenyl-1H-indol-3-yl)-acrylic acid; 2-Cyano-3-(1-phenyl-1H-indol-3-yl)-2-propenoic acid; UK5099; 2-Cyano-3-(1-phenyl-1H-indol-3-yl)acrylic acid; PF-1005023; CS-1048; 2-cyano-3-(1-phenyl-1H-indol-3-yl)prop-2-enoic acid; alpha-Cyano-beta-(1-phenylindol-3-yl)acrylate; SCHEMBL16620642; GTPL11302; BCPP000027; EX-A1928; BDBM50608638; NSC784390; s5317; AKOS024458020; CCG-267359; NSC-784390; AC-36255; AS-63568; HY-15475; UK-5099, >=98% (HPLC); UK5099; PF-1005023; A12644; alpha-cyano-beta-(1-phenylindol-3-yl)-acrylate; 2-Cyano-3-(1-phenyl-1H-indol-3-yl)acrylicacid; 2260696-90-8; I2R	288.3	C18H12N2O2	66	499	3.5	22	1	3	3	InChI=1S/C18H12N2O2/c19-11-13(18(21)22)10-14-12-20(15-6-2-1-3-7-15)17-9-5-4-8-16(14)17/h1-10,12H,(H,21,22)/b13-10+	C1=CC=C(C=C1)N2C=C(C3=CC=CC=C32)/C=C(\C#N)/C(=O)O	C1=CC=C(C=C1)N2C=C(C3=CC=CC=C32)C=C(C#N)C(=O)O	BIZNHCWFGNKBBZ-JLHYYAGUSA-N	(E)-2-cyano-3-(1-phenylindol-3-yl)prop-2-enoic acid
LDCM0156	Aniline	6115	ANILINE; Benzenamine; Phenylamine; 62-53-3; Aminobenzene; Aminophen; Arylamine; Kyanol; Anilin; Cyanol; Benzeneamine; Krystallin; Benzidam; Anyvim; Anilina; Huile D'aniline; C.I. Oxidation Base 1; Rcra waste number U012; CI Oxidation Base 1; Caswell No. 051C; Anilinum; C.I. 76000; HSDB 43; CCRIS 44; NCI-C03736; Aniline and homologues; Aniline reagent; UN 1547; CHEBI:17296; UNII-SIR7XX2F1K; SIR7XX2F1K; EINECS 200-539-3; ANILINE-N,N-D2; EPA Pesticide Chemical Code 251400; Aniline-1-13C; CI 76000; DTXSID8020090; AI3-03053; MFCD00007629; DTXCID9090; EC 200-539-3; Benzene, amino; Anilin [Czech]; ANILINE (IARC); ANILINE [IARC]; ANILINE (MART.); ANILINE [MART.]; ANILINE (USP-RS); ANILINE [USP-RS]; Huile d'aniline [French]; ANILINE (USP IMPURITY); ANILINE [USP IMPURITY]; Phenyleneamine; D'aniline; RCRA waste no. U012; Anilina [Italian, Polish]; FENTANYL IMPURITY F (EP IMPURITY); FENTANYL IMPURITY F [EP IMPURITY]; Aniline and homologs; MESALAZINE IMPURITY K (EP IMPURITY); MESALAZINE IMPURITY K [EP IMPURITY]; TRIMETHOPRIM IMPURITY K (EP IMPURITY); TRIMETHOPRIM IMPURITY K [EP IMPURITY]; UN1547; benzenaminium; cyanole; BIDD:ER0581; phenyl amine; phenyl-amine; 8-aniline; Benzene, amino-; Fentanyl impurity F; PhNH2; ANILINUM [HPUS]; ANILINE [HSDB]; ANILINE [INCI]; ANILINE [MI]; ANILINE [WHO-DD]; CHEMBL538; Epitope ID:117704; Aniline, analytical standard; Aniline, AR, >=99%; Aniline, LR, >=99%; C6H5NH2; Discontinued, see H924510; BDBM92572; Trimethoprim specified impurity K; Aniline, ReagentPlus(R), 99%; BENZENE,AMINO (ANILINE); DTXSID50207744; DTXSID70178043; Aniline [UN1547] [Poison]; AMY11081; STR00216; Aniline, ACS reagent, >=99.5%; Tox21_200345; STK301792; AKOS000268796; DB06728; MCULE-9347486445; NCI 176889; Aniline, ASTM, ACS reagent, 99.5%; Aniline, SAJ first grade, >=99.0%; CAS-62-53-3; Aniline, JIS special grade, >=99.0%; Aniline, p.a., ACS reagent, 99.0%; NCGC00091297-01; NCGC00091297-02; NCGC00091297-03; NCGC00257899-01; BP-12047; Aniline, PESTANAL(R), analytical standard; DB-013441; A0463; NS00010656; EN300-33390; C00292; A833829; AMINOBENZOIC ACID IMPURITY C [EP IMPURITY]; Q186414; SR-01000944923; J-519591; SR-01000944923-1; Q27121173; F2190-0417; InChI=1/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H; Aniline, United States Pharmacopeia (USP) Reference Standard; 136260-71-4	93.13	C6H7N	26	46.1	0.9	7	1	1	0	InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2	C1=CC=C(C=C1)N	C1=CC=C(C=C1)N	PAYRUJLWNCNPSJ-UHFFFAOYSA-N	aniline
LDCM0157	EN6	99640033	1808714-73-9; N-[4-fluoro-3-(prop-2-enamido)phenyl]-1-(2-fluorophenyl)-1H-pyrazole-4-carboxamide; EN6; N-(3-acrylamido-4-fluorophenyl)-1-(2-fluorophenyl)-1H-pyrazole-4-carboxamide; EN 6; EN-6; SCHEMBL21393135; C19H14F2N4O2; ABM-4739; EX-A3184; MFCD31665468; s6650; ZB1625; AKOS037648810; AC-36359; BE171458; BS-15697; HY-128892; CS-0101924; D80862; EN300-1720461; Z1410267069; 1-(2-fluorophenyl)-N-[4-fluoro-3-(prop-2-enoylamino)phenyl]pyrazole-4-carboxamide; N-[4-FLUORO-3-(PROP-2-ENAMIDO)PHENYL]-1-(2-FLUOROPHENYL)PYRAZOLE-4-CARBOXAMIDE	368.3	C19H14F2N4O2	76	562	2.7	27	2	5	5	InChI=1S/C19H14F2N4O2/c1-2-18(26)24-16-9-13(7-8-14(16)20)23-19(27)12-10-22-25(11-12)17-6-4-3-5-15(17)21/h2-11H,1H2,(H,23,27)(H,24,26)	C=CC(=O)NC1=C(C=CC(=C1)NC(=O)C2=CN(N=C2)C3=CC=CC=C3F)F	C=CC(=O)NC1=C(C=CC(=C1)NC(=O)C2=CN(N=C2)C3=CC=CC=C3F)F	SUSXQEYPNDORDQ-UHFFFAOYSA-N	1-(2-fluorophenyl)-N-[4-fluoro-3-(prop-2-enoylamino)phenyl]pyrazole-4-carboxamide
LDCM0158	P27	.	.	585.748	C38H39N3O3	78.51	585.2991421	7.8775	44	2	3	10	InChI=1S/C38H39N3O3/c1-3-27-15-25-34(26-16-27)41(38(44)31-21-23-33(24-22-31)39-35(42)4-2)36(37(43)40-32-13-9-6-10-14-32)30-19-17-29(18-20-30)28-11-7-5-8-12-28/h4-5,7-8,11-12,15-26,32,36H,2-3,6,9-10,13-14H2,1H3,(H,39,42)(H,40,43)	C=CC(=O)Nc1ccc(C(=O)N(c2ccc(CC)cc2)C(C(=O)NC2CCCCC2)c2ccc(-c3ccccc3)cc2)cc1	C=CC(=O)Nc1ccc(C(=O)N(c2ccc(CC)cc2)C(C(=O)NC2CCCCC2)c2ccc(-c3ccccc3)cc2)cc1	GYOQNVNMGLTQLN-UHFFFAOYSA-N	.
LDCM0159	P28	.	.	446.931	C23H27ClN2O5	84.94	446.1608496	3.4678	31	1	5	11	InChI=1S/C23H27ClN2O5/c1-3-14-31-19-12-10-17(11-13-19)22(23(29)25-16-21(28)30-4-2)26(20(27)15-24)18-8-6-5-7-9-18/h5-13,22H,3-4,14-16H2,1-2H3,(H,25,29)	CCCOc1ccc(C(C(=O)NCC(=O)OCC)N(C(=O)CCl)c2ccccc2)cc1	CCCOc1ccc(C(C(=O)NCC(=O)OCC)N(C(=O)CCl)c2ccccc2)cc1	MEKPPQZJOFSCFE-UHFFFAOYSA-N	.
LDCM0160	Bromosprine	72943187	Bromosporine; 1619994-69-2; ethyl (3-methyl-6-(4-methyl-3-(methylsulfonamido)phenyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)carbamate; CHEMBL3133807; Carbamic acid, N-[3-methyl-6-[4-methyl-3-[(methylsulfonyl)amino]phenyl]-1,2,4-triazolo[4,3-b]pyridazin-8-yl]-, ethyl ester; ethyl N-[6-(3-methanesulfonamido-4-methylphenyl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]carbamate; ethyl N-[6-[3-(methanesulfonamido)-4-methylphenyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]carbamate; Bromosporine?; GTPL8234; SCHEMBL17359131; Bromosporine, >=98% (HPLC); GLXC-04090; HMS3653C21; BDBM50504160; MFCD26142669; NSC768126; s7233; AKOS024458332; CCG-268692; CS-3240; NSC-768126; NCGC00351471-11; AS-75091; BB170570; BP-25350; HY-15815; SW219727-1; C73098; A904240; Q27075529; ethyl (3-methyl-6-{4-methyl-3-[(methylsulfonyl)amino]phenyl}[1,2,4]triazolo[4,3-b]pyridazin-8-yl)carbamate	404.4	C17H20N6O4S	136	657	1.1	28	2	8	6	InChI=1S/C17H20N6O4S/c1-5-27-17(24)18-15-9-14(21-23-11(3)19-20-16(15)23)12-7-6-10(2)13(8-12)22-28(4,25)26/h6-9,22H,5H2,1-4H3,(H,18,24)	CCOC(=O)NC1=CC(=NN2C1=NN=C2C)C3=CC(=C(C=C3)C)NS(=O)(=O)C	CCOC(=O)NC1=CC(=NN2C1=NN=C2C)C3=CC(=C(C=C3)C)NS(=O)(=O)C	UYBRROMMFMPJAN-UHFFFAOYSA-N	ethyl N-[6-[3-(methanesulfonamido)-4-methylphenyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]carbamate
LDCM0161	GSK6853	121232405	GSK6853; 1910124-24-1; GSK 6853; (R)-N-(1,3-dimethyl-6-(2-methylpiperazin-1-yl)-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-5-yl)-2-methoxybenzamide; CHEMBL3828191; GSK-6853; N-[1,3-Dimethyl-6-[(2r)-2-Methylpiperazin-1-Yl]-2-Oxidanylidene-Benzimidazol-5-Yl]-2-Methoxy-Benzamide; SCHEMBL25445876; BCP18335; EX-A1080; BDBM50189403; MFCD30489734; s8265; AKOS032944954; CCG-268758; CS-5847; N-[1,3-Dimethyl-6-[(2R)-2-methylpiperazin-1-yl]-2-oxobenzimidazol-5-yl]-2-methoxybenzamide; AC-36055; BG166666; BP-25354; BS-16390; N-[2,3-dihydro-1,3-dimethyl-6-[(2R)-2-methyl-1-piperazinyl]-2-oxo-1H-benzimidazol-5-yl]-2-methoxybenzamide; GSK6853, >=98% (HPLC); HY-100220; A901769; Q27462469; LF1; N-{1,3-dimethyl-6-[(2R)-2-methylpiperazin-1-yl]-2-oxo-1,3-benzodiazol-5-yl}-2-methoxybenzamide	409.5	C22H27N5O3	77.2	646	1.6	30	2	5	4	InChI=1S/C22H27N5O3/c1-14-13-23-9-10-27(14)17-12-19-18(25(2)22(29)26(19)3)11-16(17)24-21(28)15-7-5-6-8-20(15)30-4/h5-8,11-12,14,23H,9-10,13H2,1-4H3,(H,24,28)/t14-/m1/s1	C[C@@H]1CNCCN1C2=CC3=C(C=C2NC(=O)C4=CC=CC=C4OC)N(C(=O)N3C)C	CC1CNCCN1C2=CC3=C(C=C2NC(=O)C4=CC=CC=C4OC)N(C(=O)N3C)C	FQWDVNSBYDXPIO-CQSZACIVSA-N	N-[1,3-dimethyl-6-[(2R)-2-methylpiperazin-1-yl]-2-oxobenzimidazol-5-yl]-2-methoxybenzamide
LDCM0162	DMSO-noUV	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
LDCM0163	Entinostat	4261	Entinostat; 209783-80-2; ms-275; SNDX-275; Entinostat (MS-275); MS 275; MS-27-275; SNDX 275; pyridin-3-ylmethyl 4-((2-aminophenyl)carbamoyl)benzylcarbamate; MS 27-275; 1ZNY4FKK9H; BAY 86-5274; N-(2-aminophenyl)-4-(N-(pyridin-3-ylmethoxycarbonyl)aminomethyl)benzamide; CHEMBL27759; Carbamic acid, N-[[4-[[(2-aminophenyl)amino]carbonyl]phenyl]methyl]-, 3-pyridinylmethyl ester; pyridin-3-ylmethyl {4-[(2-aminophenyl)carbamoyl]benzyl}carbamate; pyridin-3-ylmethyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate; NSC706995; BAY86-5274; NSC-706995; pyridin-3-ylmethyl 4-(2-aminophenylcarbamoyl)benzylcarbamate; MS-275-27; Carbamic acid, N-((4-(((2-aminophenyl)amino)carbonyl)phenyl)methyl)-, 3- pyridinylmethyl ester; pyridin-3-ylmethyl 4-((2-aminophenyl)carbamoyl)benzylcarbamate.; pyridin-3-ylmethyl N-({4-[(2-aminophenyl)carbamoyl]phenyl}methyl)carbamate; N-[[4-[(2-aminoanilino)-oxomethyl]phenyl]methyl]carbamic acid 3-pyridinylmethyl ester; entinostatum; N-(2-aminophenyl)-4-[N-(pyridin-3-ylmethoxycarbonyl)aminomethyl]benzamide; Entinostat, free base; ENTINOSTAT [INN]; ENTINOSTAT [JAN]; Entinostat [USAN:INN]; UNII-1ZNY4FKK9H; ENTINOSTAT [USAN]; 3-Pyridinylmethyl ((4-(((2-aminophenyl)amino)carbonyl)phenyl)methyl)carbamate; Entinostat (MS-275)?; benzamide-type inhibitor, 3; Carbamic acid, ((4-(((2-aminophenyl)amino)carbonyl)phenyl)methyl)-, 3-pyridinylmethyl ester; ENTINOSTAT [WHO-DD]; Entinostat(MS-27-275); MLS006010183; Entinostat (JAN/USAN/INN); SCHEMBL148309; GTPL7007; DTXSID0041068; BDBM19410; EX-A038; CHEBI:132082; BCPP000155; HMS3426G07; HMS3648K12; HMS3654O11; HMS3744O17; AMY31163; BCP01824; HB3983; MFCD08272435; NSC756642; s1053; Entinostat (MS-275;SNDX-275); [4-(2-Amino-phenylcarbamoyl)-benzyl]-carbamic acid pyridin-3-ylmethyl ester; 3-pyridylmethyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate; AKOS024262667; N-(2-Aminophenyl)-4-[N-(pyridin-3-yl-methoxycarbonyl)aminomethyl]benzamide; AC-8968; BCP9000967; Carbamic acid, 3-pyridinylmethyl ester; CCG-208680; CS-0511; DB11841; Entinostat (MS-275, SNDX-275); NSC 706995; NSC-756642; SB16665; Carbamic acid, [[4-[[(2-aminophenyl)carbaonyl]phenyl]methyl]-, 3-pyridinylmethyl ester; NCGC00165833-01; NCGC00165833-02; NCGC00165833-03; NCGC00165833-04; NCGC00165833-11; NCGC00165833-13; AS-17906; BP-25653; HY-12163; NCI60_038022; SMR004458705; MS-275, A HDAC1 and HDAC3 inhibitor; ZK 244894; E1454; NS00068485; SW219667-1; D09338; EN300-6488260; A815057; MS-275,Entinostat, SNDX-275, MS-27-275; SR-01000946382; Q1281020; SR-01000946382-1; W-201831; BRD-K77908580-001-02-1; BRD-K77908580-001-04-7; Z2037280922; pyridin-3-ylmethyl4-((2-aminophenyl)carbamoyl)benzylcarbamate; Pyridin-3-ylmethyl ({4-[(2-aminophenyl)carbamoyl]phenyl}methyl)carbamate; (pyridin-3-yl)methyl N-({4-[(2-aminophenyl)carbamoyl]phenyl}methyl)carbamate; N-[[4-[[(2-Aminophenyl)amino]carbonyl]phenyl]methyl]-3-pyridinylmethyl ester, carbamic acid; N-[[4-[[(2-Aminophenyl)amino]carbonyl]phenyl]methyl]carbamic acid 3-pyridinylmethyl ester; SNDX 275;3-pyridylmethyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate	376.4	C21H20N4O3	106	508	2	28	3	5	7	InChI=1S/C21H20N4O3/c22-18-5-1-2-6-19(18)25-20(26)17-9-7-15(8-10-17)13-24-21(27)28-14-16-4-3-11-23-12-16/h1-12H,13-14,22H2,(H,24,27)(H,25,26)	C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3	C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3	INVTYAOGFAGBOE-UHFFFAOYSA-N	pyridin-3-ylmethyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate
LDCM0164	Camptothecin	24360	camptothecin; 7689-03-4; Camptothecine; (S)-(+)-Camptothecin; Campathecin; (+)-Camptothecin; (+)-Camptothecine; d-Camptothecin; 20(S)-Camptothecine; 21,22-Secocamptothecin-21-oic acid lactone; NSC94600; Camptothecine (S,+); CHEMBL65; (S)-4-ethyl-4-hydroxy-1H-Pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione; NSC-94600; (4S)-4-ethyl-4-hydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione; MLS000766223; XT3Z54Z28A; CHEBI:27656; MFCD00081076; (19S)-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione; NSC 100880; (19S)-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.0^{2,11}.0^{4,9}.0^{15,20}]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione; (S)-Camptothecin; 1H-Pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione, 4-ethyl-4-hydroxy-, (4S)-; 1H-Pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione, 4-ethyl-4-hydroxy-, (S)-; 1H-Pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione, 4-ethyl-4-hydroxy-, (4S)-; 20(S)-Camptothecin; 4-ETHYL-4-HYDROXY-1,12-DIHYDRO-4H-2-OXA-6,12A-DIAZA-DIBENZO[B,H]FLUORENE-3,13-DIONE; SR-01000075798; SR-01000597379; d-camptothecine; (s)-camptothecine; Camptothecin,(S); (4S)-4-ETHYL-4-HYDROXY-1H-PYRANO(3',4':6,7)INDOLIZINO(1,2-B)QUINOLINE-3,14(4H,12H)-DIONE; (S)-4-ethyl-4-hydroxy-1H-Pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione; (S)-4-Ethyl-4-hydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14-(4H,12H)-dione; 1H-Pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione, 4-ethyl-4-hydroxy-, (S)-; Prestwick_102; (+)-Camptothecin;; Camptothecine (8CI); Spectrum_000299; Tocris-1100; SpecPlus_000712; Prestwick0_000200; Prestwick1_000200; Prestwick2_000200; Prestwick3_000200; Spectrum2_000903; Spectrum3_001203; Spectrum4_000738; Spectrum5_001126; CAMPTOTHECIN [MI]; Lopac-C-9911; SCHEMBL6038; UNII-XT3Z54Z28A; Lopac0_000341; BSPBio_000159; BSPBio_002586; KBioGR_001036; KBioSS_000779; KBioSS_002283; cid_24360; CAMPTOTHECIN [WHO-DD]; DivK1c_000826; DivK1c_006808; SPECTRUM1502232; SPBio_000746; SPBio_002080; BPBio1_000175; CCRIS 8162; DTXSID0030956; HMS502J08; KBio1_000826; KBio1_001752; KBio2_000779; KBio2_003347; KBio2_005915; KBio3_002086; 4-Ethyl-4-hydroxy-1H-pyrano-[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione; NINDS_000826; Bio1_000400; Bio1_000889; Bio1_001378; HMS1568H21; HMS1921N08; HMS2089F08; HMS2095H21; HMS3261E03; HMS3414J17; HMS3654D13; HMS3678J15; HMS3712H21; BCP02857; Tox21_500341; AC-202; BBL033963; BDBM50008923; CCG-40255; GR-301; NSC 94600; s1288; STK801886; AKOS004119861; CS-1049; DB04690; KS-5235; LP00341; MCULE-1654983682; SDCCGMLS-0066688.P001; SDCCGSBI-0050329.P003; BRN 0631069; CAS-2114454; IDI1_000826; NCGC00015290-01; NCGC00016994-01; NCGC00016994-02; NCGC00016994-03; NCGC00016994-04; NCGC00016994-05; NCGC00016994-06; NCGC00016994-07; NCGC00016994-08; NCGC00016994-09; NCGC00016994-10; NCGC00016994-11; NCGC00016994-12; NCGC00016994-16; NCGC00016994-29; NCGC00024997-01; NCGC00024997-02; NCGC00024997-03; NCGC00024997-04; NCGC00024997-05; NCGC00024997-06; NCGC00178592-01; NCGC00178592-02; NCGC00261026-01; 1ST40312; HY-16560; NCI60_042105; SMR000445686; SY010324; AI3-62475; EU-0100341; NS00011856; SW196414-3; C 9911; C01897; M01564; AB00052452-08; AB00052452-09; AB00052452_10; EN300-1725804; (S)-(+)-Camptothecin, >=90% (HPLC), powder; A838882; Q419964; Q-200785; SR-01000075798-1; SR-01000075798-4; SR-01000597379-1; SR-01000597379-3; BRD-K37890730-001-09-4; BRD-K37890730-001-10-2; Z1741982070; (S)-4-ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-diaza-dibenzo[b,h]florene-3,13-dione; (S)-4-ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-diaza-dibenzo[b,h]fluorene-3,13-dione; 4-Ethyl-4-hydroxy-1H-pyrano-[3,4:6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione; 4-Ethyl-4-hydroxy-1H-pyrano-[3[,4[:6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione; (19S)-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.0^{2,11}.0^{4,9}.0^{15,20}]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione; (S)-4-Ethyl-4-hydroxy-1H-pyrano-[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione;(S)-(+)-Camptothecin; (S)-4-Ethyl-4-hydroxy-1H-pyrano[3 inverted exclamation mark ,4 inverted exclamation mark :6,7]indolizino[1,2-b]quinoline-3,14-(4H,12H)-dione; 1H-Pyrano[3',7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione, 4-ethyl-4-hydroxy-, (S)-; 4(S)-Ethyl-4-hydroxy-1H-pyrano-[3',4':6,7]indolizino[1,2-b]quinoline-3,14 (4H,12H)-dione; 4-ethyl-4-hydroxy-(4S)-3,4,12,14-tetrahydro-1H-pyrano[3'',4'':6,7]indolizino[1,2-b]quinoline-3,14-dione; 4-Ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-diaza-dibenzo[b,h]fluorene-3,13-dione (camptothecin or CPT); 4-Ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-diaza-dibenzo[b,h]fluorene-3,13-dione (Camptothecin); 4-Ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-diaza-dibenzo[b,h]fluorene-3,13-dione (CPT, Camptothecin)	348.4	C20H16N2O4	79.7	742	1	26	1	5	1	InChI=1S/C20H16N2O4/c1-2-20(25)14-8-16-17-12(7-11-5-3-4-6-15(11)21-17)9-22(16)18(23)13(14)10-26-19(20)24/h3-8,25H,2,9-10H2,1H3/t20-/m0/s1	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N	(19S)-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione
LDCM0165	Compound 9	.	.	383.5	C20H29N7O	113.91	383.2433585	2.6608	28	4	8	14	InChI=1S/C20H29N7O/c1-4-16(11-28)24-20-25-18(17-19(26-20)27(12-23-17)13(2)3)22-10-15-7-5-14(9-21)6-8-15/h5-8,12-13,16,28H,4,9-11,21H2,1-3H3,(H2,22,24,25,26)/t16-/m1/s1	[H]OC([H])([H])[C@]([H])(N([H])c1nc(N([H])C([H])([H])c2c([H])c([H])c(C([H])([H])N([H])[H])c([H])c2[H])c2nc([H])n(C([H])(C([H])([H])[H])C([H])([H])[H])c2n1)C([H])([H])C([H])([H])[H]	[H]OC([H])([H])C([H])(N([H])c1nc(N([H])C([H])([H])c2c([H])c([H])c(C([H])([H])N([H])[H])c([H])c2[H])c2nc([H])n(C([H])(C([H])([H])[H])C([H])([H])[H])c2n1)C([H])([H])C([H])([H])[H]	QAIOGFDZQKBSAG-MRXNPFEDSA-N	.
LDCM0166	Afatinib	10184653	Afatinib; 439081-18-2; 850140-72-6; Tovok; BIBW2992; Tomtovok; BIBW 2992; BIBW-2992; Afatinib (BIBW2992); (S,E)-N-(4-((3-Chloro-4-fluorophenyl)amino)-7-((tetrahydrofuran-3-yl)oxy)quinazolin-6-yl)-4-(dimethylamino)but-2-enamide; (E/Z)-Afatinib; afatinibum; BIBW2992 (Tovok); Afatinib free base; NSC-750691; UNII-41UD74L59M; Afatinib, Free Base; (S)-N-(4-((3-Chloro-4-fluorophenyl)amino)-7-((tetrahydrofuran-3-yl)oxy)quinazolin-6-yl)-4-(dimethylamino)but-2-enamide; CHEBI:61390; 41UD74L59M; N-[4-[(3-chloro-4-fluorophenyl)amino]-7-[[(3S)-tetrahydro-3-furanyl]oxy]-6-quinazolinyl]-4-(dimethylamino)-2-Butenamide; (2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3S)-tetrahydrofuran-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide; CHEMBL1173655; DTXSID20893451; 850140-72-6 (free base); NSC750691; (2E)-N-(4-(3-chloro-4-fluoroanilino)-7-(((3S)-oxolan-3-yl)oxy)quinoxazolin-6-yl)-4-(dimethylamino)but-2-enamide; (2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3S)-oxolan-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide; (E)-N-[4-(3-chloro-4-fluoroanilino)-7-[(3S)-oxolan-3-yl]oxyquinazolin-6-yl]-4-(dimethylamino)but-2-enamide; S1011; AFATINIB (MART.); AFATINIB [MART.]; (S,E)-N-(4-(3-chloro-4-fluorophenylamino)-7-(tetrahydrofuran-3-yloxy)quinazolin-6-yl)-4-(dimethylamino)but-2-enamide; 2-Butenamide, N-(4-((3-chloro-4-fluorophenyl)amino)-7-(((3S)-tetrahydro-3-furanyl)oxy)-6-quinazolinyl)-4-(dimethylamino)-, (2E)-; (S,E)-N-(4-((3-chloro-4-fluorophenyl)amino)-7-((tetrahydrofuran-3-yl)oxy)quinazolin-6-yl)-4-(dimethylamino)but-2-enamide.; 2-Butenamide, N-[4-[(3-chloro-4-fluorophenyl)amino]-7-[[(3S)-tetrahydro-3-furanyl]oxy]-6-quinazolinyl]-4-(dimethylamino)-, (2E)-; Afatinib [USAN]; Afatinib [USAN:INN]; MFCD12407405; Afatinib- Bio-X; Afatinib E-Isomer; (2E)-N-(4-((3-chloro-4-fluorophenyl)amino)-7-((3S)-tetrahydrofuran-3-yloxy)quinazolin-6-yl)-4-(dimethylamino)but-2-enamide; (E)-4-dimethylamino-but-2-enoic acid-(4-(3-chloro-4-fluoro-phenylamino)-7-((S)-tetrahydrofuran-3-yloxy)-quinazolin-6-yl)-amide; (E)-4-Dimethylamino-but-2-enoic acid-[4-(3-chloro-4-fluoro-phenylamino)-7-((S)-tetrahydrofuran-3-yloxy)-quinazolin-6-yl]-amide; BIBW2992,Afatinib; Afatinib (USAN/INN); AFATINIB [INN]; AFATINIB [MI]; AFATINIB [VANDF]; AFATINIB [WHO-DD]; MLS006010000; EX-A065A; GTPL5667; CHEBI:94698; EX-A065; L01XE13; ULXXDDBFHOBEHA-CWDCEQMOSA-N; BCPP000338; DTXCID301323466; BCP01779; BDBM50322823; HY-10261B; NSC799327; Afatinib(cis-trans isomerismtautomers); AKOS015850681; AKOS015904219; AKOS025149636; BCP9000407; CCG-264776; DB08916; EX-8656; NSC-799327; NCGC00185000-01; NCGC00185000-22; NCGC00185000-23; (2e)-n-(4-((3-chloro-4-fluorophenyl)amino)-7-(((3s)-tetrahydro-3-furanyl)oxy)-6-quinazolinyl)-4-(dimethylamino)-2-butenamide; (E)-N-[4-(3-chloro-4-fluoro-anilino)-7-[(3S)-tetrahydrofuran-3-yl]oxy-quinazolin-6-yl]-4-(dimethylamino)but-2-enamide; 2-butenamide, N-(4-((3-chloro-4-fluorophenyl)amino)-7-(((3S)-tetrahydro-3-furanyl)oxy)- 6-quinazolinyl)-4-(dimethylamino)-, (2E)-; AC-26079; AC-27018; AM808098; AS-80916; BA164141; DS-14172; SMR004701084; CS-0020030; NS00077621; SW219248-1; A15572; D09724; AB01565886_02; EN300-6487482; EN300-19625328; SR-01000941576; J-500781; J-502300; Q4688818; SR-01000941576-1; BRD-K66175015-001-01-7; Z2568727518; (E)-4-dimethylamino-but-2-enoic acid-(4-(3-chloro-4-fluoro-phenylamino)-7-((S)-tetrahydrofuran-3-yloxy)-quinazolin-6yl)-amide; (R,E)-N-(4-(3-chloro-4-fluorophenylamino)-7-(tetrahydrofuran-3-yloxy)quinazolin-6-yl)-4-(dimethylamino)but-2-enamide; (S)-N-(4-(3-chloro-4-fluorophenylamino)-7-(tetrahydrofuran-3-yloxy)quinazolin-6-yl)-4-(dimethylamino)but-2-enamide; N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3S)-oxolan-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide	485.9	C24H25ClFN5O3	88.6	702	3.6	34	2	8	8	InChI=1S/C24H25ClFN5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29)/b4-3+/t16-/m0/s1	CN(C)C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)O[C@H]4CCOC4	CN(C)CC=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OC4CCOC4	ULXXDDBFHOBEHA-CWDCEQMOSA-N	(E)-N-[4-(3-chloro-4-fluoroanilino)-7-[(3S)-oxolan-3-yl]oxyquinazolin-6-yl]-4-(dimethylamino)but-2-enamide
LDCM0167	HOIPIN 11a	129179200	HOIPIN 11a; HOIP inhibitor 11a; GSK11a; 1610800-91-3; SCHEMBL18910498; Z3017916945; (E)-Methyl 4-(2-oxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxamido)but-2-enoate; methyl (E)-4-[(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]but-2-enoate	290.31	C15H18N2O4	84.5	558	1.1	21	2	4	5	InChI=1S/C15H18N2O4/c1-21-13(18)7-4-8-16-14(19)11-9-10-5-2-3-6-12(10)17-15(11)20/h4,7,9H,2-3,5-6,8H2,1H3,(H,16,19)(H,17,20)/b7-4+	COC(=O)/C=C/CNC(=O)C1=CC2=C(CCCC2)NC1=O	COC(=O)C=CCNC(=O)C1=CC2=C(CCCC2)NC1=O	NHQZASSXPZNVQW-QPJJXVBHSA-N	methyl (E)-4-[(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]but-2-enoate
LDCM0168	Crenolanib	140908022	SCHEMBL22560643	442.6	C27H30N4O2	65.5	665	4.3	33	1	5	5	InChI=1S/C27H30N4O2/c1-27(15-32-16-27)17-33-22-7-8-26-24(14-22)29-18-31(26)21-6-5-19-3-2-4-25(23(19)13-21)30-11-9-20(28)10-12-30/h2-8,13-14,18,20H,9-12,15-17,28H2,1H3	CC1(COC1)COC2=CC3=C(C=C2)N(C=N3)C4=CC5=C(C=CC=C5N6CCC(CC6)N)C=C4	CC1(COC1)COC2=CC3=C(C=C2)N(C=N3)C4=CC5=C(C=CC=C5N6CCC(CC6)N)C=C4	XWHGVPOHJVQVQV-UHFFFAOYSA-N	1-[7-[5-[(3-methyloxetan-3-yl)methoxy]benzimidazol-1-yl]naphthalen-1-yl]piperidin-4-amine
LDCM0169	KB63	168315069	PD128011	441.9	C24H28ClN3O3	53.1	599	3.4	31	0	4	5	InChI=1S/C24H28ClN3O3/c25-17-23(29)28(21-5-2-1-3-6-21)22-7-4-12-27(18-22)24(30)19-8-10-20(11-9-19)26-13-15-31-16-14-26/h1-3,5-6,8-11,22H,4,7,12-18H2	C1CC(CN(C1)C(=O)C2=CC=C(C=C2)N3CCOCC3)N(C4=CC=CC=C4)C(=O)CCl	C1CC(CN(C1)C(=O)C2=CC=C(C=C2)N3CCOCC3)N(C4=CC=CC=C4)C(=O)CCl	MRAMUVZVDBOPEH-UHFFFAOYSA-N	2-chloro-N-[1-(4-morpholin-4-ylbenzoyl)piperidin-3-yl]-N-phenylacetamide
LDCM0170	Structure8	.	.	214.246	C8H10N2O3S	73.1	214.0412132	1.34404	14	0	4	2	InChI=1S/C8H10N2O3S/c1-5-4-6(2)9-8(14(3)13)7(5)10(11)12/h4H,1-3H3	Cc1cc(C)c([N+](=O)[O-])c(S(C)=O)n1	Cc1cc(C)c([N+](=O)[O-])c(S(C)=O)n1	ZBZXCRQGBBOGHR-UHFFFAOYSA-N	.
LDCM0171	Structure21	.	.	440.525	C22H24N4O4S	103.6	440.1518262	1.86838	31	0	7	4	InChI=1S/C22H24N4O4S/c23-15-18-5-2-8-24-21(18)31(28,29)20-7-3-9-26(16-20)22(27)17-4-1-6-19(14-17)25-10-12-30-13-11-25/h1-2,4-6,8,14,20H,3,7,9-13,16H2	N#Cc1cccnc1S(=O)(=O)C1CCCN(C(=O)c2cccc(N3CCOCC3)c2)C1	N#Cc1cccnc1S(=O)(=O)C1CCCN(C(=O)c2cccc(N3CCOCC3)c2)C1	ZZSWZCLTSJBEMW-UHFFFAOYSA-N	.
LDCM0172	Nap-1	145712375	MCL-1/BCL-2-IN-1; CHEMBL4530348; 2493256-46-3; BDBM50505361; AKOS040733688; MS-30493; HY-129681; CS-0107430; G17262; N-[2-[6-(4-bromophenyl)sulfanyl-1,3-dioxobenzo[de]isoquinolin-2-yl]ethyl]-4-tert-butylbenzamide	587.5	C31H27BrN2O3S	91.8	875	7.6	38	1	4	7	InChI=1S/C31H27BrN2O3S/c1-31(2,3)20-9-7-19(8-10-20)28(35)33-17-18-34-29(36)24-6-4-5-23-26(16-15-25(27(23)24)30(34)37)38-22-13-11-21(32)12-14-22/h4-16H,17-18H2,1-3H3,(H,33,35)	CC(C)(C)C1=CC=C(C=C1)C(=O)NCCN2C(=O)C3=C4C(=C(C=C3)SC5=CC=C(C=C5)Br)C=CC=C4C2=O	CC(C)(C)C1=CC=C(C=C1)C(=O)NCCN2C(=O)C3=C4C(=C(C=C3)SC5=CC=C(C=C5)Br)C=CC=C4C2=O	FDTLPRMIVMUNSD-UHFFFAOYSA-N	N-[2-[6-(4-bromophenyl)sulfanyl-1,3-dioxobenzo[de]isoquinolin-2-yl]ethyl]-4-tert-butylbenzamide
LDCM0173	HM30181	11399764	Encequidar; 849675-66-7; HM-30181; HM30181; HM-30181-A; Pgp inhibitor hm30181ak; Encequidar [USAN]; HM30181AK; K4I4I996O4; HM 30181A; 4-Oxo-4H-chromene-2-carboxylic acid (2-(2-4-(2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-ethyl)-phenyl-2H-tetrazol-5-yl)-4,5-dimethoxy-phenyl)-amide; HM30181A; N-[2-[2-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]tetrazol-5-yl]-4,5-dimethoxyphenyl]-4-oxochromene-2-carboxamide; 4H-1-Benzopyran-2-carboxamide, N-[2-[2-[4-[2-(3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl)ethyl]phenyl]-2H-tetrazol-5-yl]-4,5-dimethoxyphenyl]-4-oxo-; N-(2-(2-(4-(2-(6,7-Dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethyl)phenyl)-2H-tetrazol-5-yl)-4,5-dimethoxyphenyl)-4-oxo-4H-chromene-2-carboxamide; N-[2-[2-[4-[2-(3,4-Dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl)ethyl]phenyl]-2H-tetrazol-5-yl]-4,5-dimethoxyphenyl]-4-oxo-4H-1-benzopyran-2-carboxamide; UNII-K4I4I996O4; AHJUHHDDCJQACA-UHFFFAOYSA-N; 4H-1-BENZOPYRAN-2-CARBOXAMIDE, N-(2-(2-(4-(2-(3,4-DIHYDRO-6,7-DIMETHOXY-2(1H)-ISOQUINOLINYL)ETHYL)PHENYL)-2H-TETRAZOL-5-YL)-4,5-DIMETHOXYPHENYL)-4-OXO-; V5Q; ENCEQUIDAR [INN]; Encequidar (USAN/INN); HM-30181 free base; Encequidar (HM30181); HM30181(Encequidar)?; ENCEQUIDAR [WHO-DD]; CHEMBL4594298; SCHEMBL13822558; EX-A3429A; GTPL12787; DTXSID501100387; BCP25240; ZIB67566; BDBM50567579; MFCD25976625; s3431; WHO 10861; AKOS025396246; CS-6194; DB14070; HM30181;HM30181A; SB18921; AC-36564; AS-35283; HY-13646; P-GLYCOPROTEIN INHIBITOR HM30181AK; NS00072886; D11782; Oraxol (encequidar methanesulfonate + paclitaxel); A857803; Oratecan (encequidar methanesulfonate + irinotecan); Q27281950; 4-oxo-4H-chromen-2-carboxylic acid [2-(2-{4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-ethyl]-phenyl}-2H-tetrazol-5-yl)-4,5-dimethoxy-phenyl]-amide; N-(2-(2-(4-(2-(6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-yl)ethyl)phenyl)-2H-tetrazol-5-yl)-4,5-dimethoxyphenyl)-4-oxo-4H-chromene-2-carboxamide; N-[2-(2-{4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl}-1,2,3,4-tetrazol-5-yl)-4,5-dimethoxyphenyl]-4-oxochromene-2-carboxamide	688.7	C38H36N6O7	139	1220	5.8	51	1	11	11	InChI=1S/C38H36N6O7/c1-47-32-17-24-14-16-43(22-25(24)18-33(32)48-2)15-13-23-9-11-26(12-10-23)44-41-37(40-42-44)28-19-34(49-3)35(50-4)20-29(28)39-38(46)36-21-30(45)27-7-5-6-8-31(27)51-36/h5-12,17-21H,13-16,22H2,1-4H3,(H,39,46)	COC1=C(C=C2CN(CCC2=C1)CCC3=CC=C(C=C3)N4N=C(N=N4)C5=CC(=C(C=C5NC(=O)C6=CC(=O)C7=CC=CC=C7O6)OC)OC)OC	COC1=C(C=C2CN(CCC2=C1)CCC3=CC=C(C=C3)N4N=C(N=N4)C5=CC(=C(C=C5NC(=O)C6=CC(=O)C7=CC=CC=C7O6)OC)OC)OC	AHJUHHDDCJQACA-UHFFFAOYSA-N	N-[2-[2-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]tetrazol-5-yl]-4,5-dimethoxyphenyl]-4-oxochromene-2-carboxamide
LDCM0174	Arenobufagin	12305198	Arenobufagin; 464-74-4; 27R42QLM25; 12-Oxo-3-beta,11-alpha,14-trihydroxy-5-beta-bufa-20,22-dienolide; 5-[(3S,5R,8R,9S,10S,11S,13R,14S,17R)-3,11,14-trihydroxy-10,13-dimethyl-12-oxo-2,3,4,5,6,7,8,9,11,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pyran-2-one; 5-((3S,5R,8R,9S,10S,11S,13R,14S,17R)-3,11,14-trihydroxy-10,13-dimethyl-12-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2H-pyran-2-one; Arenobufogenin; UNII-27R42QLM25; CHEMBL4086974; SCHEMBL21578402; DTXSID00963565; CHEBI:197067; GLXC-13270; HY-N0876; AKOS030526814; CS-3693; NCGC00485924-01; AC-34734; AS-76734; C20035; 3,11,14-trihydroxy-12-oxo-bufa-20,22-dienolide; 5beta-Bufa-20,22-dienolide, 3beta,11alpha,14-trihydroxy-12-oxo-; (3beta,5beta,11alpha)-3,11,14-Trihydroxy-12-oxobufa-20,22-dienolide; 5-beta-BUFA-20,22-DIENOLIDE, 12-OXO-3-beta,11-alpha,14-TRIHYDROXY-; Bufa-20,22-dienolide, 3,11,14-trihydroxy-12-oxo- (3-beta,5-beta,11-alpha)-; Bufa-20,22-dienolide, 3,11,14-trihydroxy-12-oxo-, (3beta,5beta,11alpha)-; 5-((3S,5R,10S,11S,13R,14S,17R)-3,11,14-trihydroxy-10,13-dimethyl-12-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2H-pyran-2-one	416.5	C24H32O6	104	847	1.7	30	3	6	1	InChI=1S/C24H32O6/c1-22-9-7-15(25)11-14(22)4-5-17-19(22)20(27)21(28)23(2)16(8-10-24(17,23)29)13-3-6-18(26)30-12-13/h3,6,12,14-17,19-20,25,27,29H,4-5,7-11H2,1-2H3/t14-,15+,16-,17-,19-,20+,22+,23+,24+/m1/s1	C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2[C@@H](C(=O)[C@]4([C@@]3(CC[C@@H]4C5=COC(=O)C=C5)O)C)O)O	CC12CCC(CC1CCC3C2C(C(=O)C4(C3(CCC4C5=COC(=O)C=C5)O)C)O)O	JGDCRWYOMWSTFC-AZGSIFHYSA-N	5-[(3S,5R,8R,9S,10S,11S,13R,14S,17R)-3,11,14-trihydroxy-10,13-dimethyl-12-oxo-2,3,4,5,6,7,8,9,11,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pyran-2-one
LDCM0175	Ethacrynic acid	3278	ETHACRYNIC ACID; Etacrynic Acid; 58-54-8; ethacrynate; Edecrin; Etacrinic acid; Hydromedin; Taladren; Crinuryl; Edecril; Edecrina; Endecril; Hidromedin; Otacril; Mingit; Reomax; Uregit; Etakrinic acid; Methylenebutyrylphenoxyacetic acid; MK-595; Ethacrinique (acide); Acido etacrinico; Acide etacrynique; Acidum etacrynicum; Kyselina ethakrynova; Kyselina ethakrynova [Czech]; [2,3-Dichloro-4-(2-methylenebutyryl)phenoxy]acetic acid; Acide etacrynique [INN-French]; Acido etacrinico [INN-Spanish]; Acidum etacrynicum [INN-Latin]; (2,3-Dichloro-4-(2-methylene-1-oxobutyl)phenoxy)acetic acid; 2-[2,3-dichloro-4-(2-methylidenebutanoyl)phenoxy]acetic acid; Methylenebutyryl phenoxyacetic acid; 2,3-Dichloro-4-(2-methylenebutyl)phenoxyacetic acid; MK 595; NSC 85791; NSC 624008; BRN 1915060; Acetic acid, (2,3-dichloro-4-(2-methylene-1-oxobutyl)phenoxy)-; Etacrynic acid [INN]; 2,3-Dichloro-4-(2-methylenebutyryl)phenoxy acetic acid; (2,3-Dichloro-4-(2-methylenebutyryl)phenoxy)acetic acid; (4-(2-Methylenebutyryl)-2,3-dichlorophenoxy)acetic acid; 2-(2,3-Dichloro-4-(2-methylenebutanoyl)phenoxy)acetic acid; NSC-85791; CHEMBL456; NSC-624008; Acetic acid, [2,3-dichloro-4-(2-methylene-1-oxobutyl)phenoxy]-; Kyselina 4-(2-(1-butenyl)karbonyl)-2,3-dichlorfenoxyoctova [Czech]; M5DP350VZV; 58-54-8 (free acid); MLS000069535; MLS002701928; CHEBI:4876; [2,3-dichloro-4-(2-methylidenebutanoyl)phenoxy]acetic acid; Kyselina 4-(2-(1-butenyl)karbonyl)-2,3-dichlorfenoxyoctova; DTXSID3025257; Acetic acid, (2,3-dichloro-4-(2-methylenebutyryl)phenoxy)-; NSC85791; NSC624008; CAS-58-54-8; [4-(2-Methylenebutyryl)-2,3-dichlorophenoxy]acetic acid; NCGC00016260-05; 2-[2,3-dichloro-4-(2-methylenebutanoyl)phenoxy]acetic acid; SMR000058600; [2,3-Dichloro-4-(2-methylene-1-oxobutyl)phenoxy]acetic acid; Ethacryinic Acid; DTXCID205257; Ethacrynic acid [USAN:BAN]; [2,3-dichloro-4-(2-methylenebutanoyl)phenoxy]acetic acid; CCRIS 4638; HSDB 2136; Ethacrynic acid (USP); SR-01000003010; EINECS 200-384-1; UNII-M5DP350VZV; etacrynicacid; Etacrynsaure; Crinuril; Acetic acid, [2,3-dichloro-4-(2-methylenebutyryl)phenoxy]-; etacrynic-acid; Ethacrynic acid [USAN:USP]; 1gsf; 2gss; Prestwick_671; Opera_ID_61; Spectrum_000813; Prestwick0_000259; Prestwick1_000259; Prestwick2_000259; Prestwick3_000259; Spectrum2_000097; Spectrum3_000425; Spectrum4_000544; Spectrum5_000680; E0526; bmse000134; SCHEMBL26353; BSPBio_000078; BSPBio_002010; ETACRYNIC ACID [JAN]; ETHACRYNIC ACID [MI]; KBioGR_001207; KBioSS_001293; MLS002548854; DivK1c_000900; Etacrynic acid (JP17/INN); SPECTRUM1500287; SPBio_000054; SPBio_002297; ETHACRYNIC ACID [HSDB]; ETHACRYNIC ACID [USAN]; 2,3-Dichloro-4-(2-methylenebutyryl)phenoxyacetic acid; BPBio1_000086; GTPL7179; ETACRYNIC ACID [MART.]; ETHACRYNIC ACID [VANDF]; ETACRYNIC ACID [WHO-DD]; HMS502M22; KBio1_000900; KBio2_001293; KBio2_003861; KBio2_006429; KBio3_001230; NINDS_000900; HMS1568D20; HMS1920M16; HMS2089N17; HMS2091D17; HMS2095D20; HMS3259G03; HMS3712D20; Pharmakon1600-01500287; HY-B1640; Ethacrynic acid, >=97% (HPLC); Tox21_110335; Tox21_201102; BDBM50186231; CCG-38915; ETACRYNIC ACID [EP IMPURITY]; MFCD00056693; NSC757026; s5561; WLN: QV1OR BG CG DVY2&U1; ETACRYNIC ACID [EP MONOGRAPH]; ETHACRYNIC ACID [ORANGE BOOK]; GST Inhibitor-2 (Ethacrynic acid)); AKOS003404732; Tox21_110335_1; DB00903; ETHACRYNIC ACID [USP MONOGRAPH]; KS-1453; MCULE-6140194266; NC00450; NSC-757026; IDI1_000900; NCGC00016260-01; NCGC00016260-02; NCGC00016260-03; NCGC00016260-04; NCGC00016260-06; NCGC00016260-07; NCGC00016260-08; NCGC00016260-09; NCGC00016260-10; NCGC00016260-11; NCGC00016260-13; NCGC00022601-03; NCGC00022601-04; NCGC00022601-05; NCGC00258654-01; NCI60_041898; SBI-0051374.P003; DB-053221; AB00051988; CS-0013591; NS00009284; A51097; D00313; AB00051988-19; AB00051988_20; A831918; Q418571; SR-01000003010-2; SR-01000003010-3; BRD-K63630713-001-05-0; BRD-K63630713-001-15-9; [2,3-Dichloro-4-(2-ethylacryloyl)phenoxy]acetic acid #; Acetic acid,3-dichloro-4-(2-methylenebutyryl)phenoxy]-; Z1590781983; 2,3-DICHLORO-4-(2-METHYLENEBUTYRYL)PHENOXY)ACETATE; 4-(METHYLENEBUTYRYL)-2,3-DICHLOROPHENOXY)ACETIC ACID; Acetic acid,3-dichloro-4-(2-methylene-1-oxobutyl)phenoxy]-; Ethacrynic acid, European Pharmacopoeia (EP) Reference Standard; Ethacrynic acid, United States Pharmacopeia (USP) Reference Standard; 2-(2,3-DICHLORO-4-(2-METHYLENE-1-OXOBUTYL)PHENOXY)ACETIC ACID; Etacrynic acid for system suitability, European Pharmacopoeia (EP) Reference Standard	303.13	C13H12Cl2O4	63.6	370	3.8	19	1	4	6	InChI=1S/C13H12Cl2O4/c1-3-7(2)13(18)8-4-5-9(12(15)11(8)14)19-6-10(16)17/h4-5H,2-3,6H2,1H3,(H,16,17)	CCC(=C)C(=O)C1=C(C(=C(C=C1)OCC(=O)O)Cl)Cl	CCC(=C)C(=O)C1=C(C(=C(C=C1)OCC(=O)O)Cl)Cl	AVOLMBLBETYQHX-UHFFFAOYSA-N	2-[2,3-dichloro-4-(2-methylidenebutanoyl)phenoxy]acetic acid
LDCM0176	9im	.	.	540.591	C32H29FN2O5	78.79	540.2060502	6.76342	40	1	6	7	InChI=1S/C32H29FN2O5/c1-6-19-10-12-25-23(14-19)31(36)30(18(2)35(25)3)32(37)34-21-11-13-27(24(33)16-21)40-26-9-7-8-20-15-28(38-4)29(39-5)17-22(20)26/h7-17H,6H2,1-5H3,(H,34,37)	CCc1ccc2c(c1)c(=O)c(C(=O)Nc1ccc(Oc3cccc4cc(OC)c(OC)cc34)c(F)c1)c(C)n2C	CCc1ccc2c(c1)c(=O)c(C(=O)Nc1ccc(Oc3cccc4cc(OC)c(OC)cc34)c(F)c1)c(C)n2C	DANCHSXEBHXMKU-UHFFFAOYSA-N	.
LDCM0177	Compound 4	.	.	412.462	C17H15F3N4OS2	66.71	412.0639378	5.5159	27	1	6	4	InChI=1S/C17H15F3N4OS2/c1-8-13(27-24-23-8)14(25)22-16-12(21-15(26-16)10-2-3-10)9-4-6-11(7-5-9)17(18,19)20/h4-8,10,13H,2-3H2,1H3,(H,22,25)	CC1N=NSC1C(=O)Nc1sc(C2CC2)nc1-c1ccc(C(F)(F)F)cc1	CC1N=NSC1C(=O)Nc1sc(C2CC2)nc1-c1ccc(C(F)(F)F)cc1	ZLDSNHPSSBSBIL-UHFFFAOYSA-N	.
LDCM0178	THZ531	118025540	THZ531; 1702809-17-3; (R,E)-N-(4-(3-((5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl)amino)piperidine-1-carbonyl)phenyl)-4-(dimethylamino)but-2-enamide; CHEMBL4163879; THZ 531; THZ-531; (E)-N-[4-[(3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidine-1-carbonyl]phenyl]-4-(dimethylamino)but-2-enamide; THZ531 HCl; THZ-531 HCl; SCHEMBL16655248; SCHEMBL16655252; THZ531?; CHEBI:143122; THZ531; THZ 531; AMY16834; BCP28996; CTC80917; EX-A1532; BDBM50528813; NSC821656; s6595; AKOS037648923; NSC-821656; AC-31604; BS-16034; DA-58564; HY-103618; CS-0015451; C73275; A902275; Z3083111642; (2E)-N-(4-{[(3R)-3-{[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino}piperidin-1-yl]carbonyl}phenyl)-4-(dimethylamino)but-2-enamide; (2E)-N-[4-[[(3R)-3-[[5-Chloro-4-(1H-indol-3-yl)-2-pyrimidinyl]amino]-1-piperidinyl]carbonyl]phenyl]-4-(dimethylamino)-2-butenamide; (R,E)-N-(4-(3-(5-chloro-4-(1H-indol-3-yl)pyrimidin-2-ylamino)piperidine-1-carbonyl)phenyl)-4-(dimethylamino)but-2-enamide	558.1	C30H32ClN7O2	106	880	4.1	40	3	6	8	InChI=1S/C30H32ClN7O2/c1-37(2)15-6-10-27(39)34-21-13-11-20(12-14-21)29(40)38-16-5-7-22(19-38)35-30-33-18-25(31)28(36-30)24-17-32-26-9-4-3-8-23(24)26/h3-4,6,8-14,17-18,22,32H,5,7,15-16,19H2,1-2H3,(H,34,39)(H,33,35,36)/b10-6+/t22-/m1/s1	CN(C)C/C=C/C(=O)NC1=CC=C(C=C1)C(=O)N2CCC[C@H](C2)NC3=NC=C(C(=N3)C4=CNC5=CC=CC=C54)Cl	CN(C)CC=CC(=O)NC1=CC=C(C=C1)C(=O)N2CCCC(C2)NC3=NC=C(C(=N3)C4=CNC5=CC=CC=C54)Cl	RUBYHLPRZRMTJO-MOVYNIQHSA-N	(E)-N-[4-[(3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidine-1-carbonyl]phenyl]-4-(dimethylamino)but-2-enamide
LDCM0179	JZ128	74220756	SCHEMBL18313108; BDBM464102; US10787436, Compound I-40; PD135285	545.6	C32H31N7O2	115	889	4.5	41	4	6	9	InChI=1S/C32H31N7O2/c1-21-7-4-10-28-30(21)26(20-34-28)27-16-17-33-32(38-27)37-25-9-5-8-24(19-25)36-31(41)22-12-14-23(15-13-22)35-29(40)11-6-18-39(2)3/h4-17,19-20,34H,18H2,1-3H3,(H,35,40)(H,36,41)(H,33,37,38)/b11-6+	CC1=C2C(=CC=C1)NC=C2C3=NC(=NC=C3)NC4=CC(=CC=C4)NC(=O)C5=CC=C(C=C5)NC(=O)/C=C/CN(C)C	CC1=C2C(=CC=C1)NC=C2C3=NC(=NC=C3)NC4=CC(=CC=C4)NC(=O)C5=CC=C(C=C5)NC(=O)C=CCN(C)C	SEEVXFIEBQXBPA-IZZDOVSWSA-N	4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]-N-[3-[[4-(4-methyl-1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]benzamide
LDCM0181	Compound 41	51084367	CHEMBL3461742; AKOS034415574; Z509397392	314.4	C17H18N2O2S	86.4	442	2.6	22	2	3	3	InChI=1S/C17H18N2O2S/c1-10-7-8-22-16(10)17(21)18-11(2)12-3-5-14-13(9-12)4-6-15(20)19-14/h3,5,7-9,11H,4,6H2,1-2H3,(H,18,21)(H,19,20)	CC1=C(SC=C1)C(=O)NC(C)C2=CC3=C(C=C2)NC(=O)CC3	CC1=C(SC=C1)C(=O)NC(C)C2=CC3=C(C=C2)NC(=O)CC3	CHEOYYPWQCEDHC-UHFFFAOYSA-N	3-methyl-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]thiophene-2-carboxamide
LDCM0182	Compound 18	56810710	SCHEMBL21788680; AKOS008085247; Z223593798	322.4	C19H18N2O3	66.5	519	2	24	1	3	3	InChI=1S/C19H18N2O3/c1-12(22)13-7-3-5-9-16(13)20-19(24)15-11-18(23)21(2)17-10-6-4-8-14(15)17/h3-10,15H,11H2,1-2H3,(H,20,24)	CC(=O)C1=CC=CC=C1NC(=O)C2CC(=O)N(C3=CC=CC=C23)C	CC(=O)C1=CC=CC=C1NC(=O)C2CC(=O)N(C3=CC=CC=C23)C	AYPIXOSXIPDRGM-UHFFFAOYSA-N	N-(2-acetylphenyl)-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide
LDCM0183	Compound 42	.	.	353.353	C19H16FN3O3	78.84	353.1175696	2.1414	26	1	4	4	InChI=1S/C19H16FN3O3/c1-2-23-15-9-4-3-8-14(15)17(24)16(19(23)26)18(25)22-21-11-12-6-5-7-13(20)10-12/h3-11,16H,2H2,1H3,(H,22,25)/b21-11+	CCN1C(=O)C(C(=O)N/N=C/c2cccc(F)c2)C(=O)c2ccccc21	CCN1C(=O)C(C(=O)NN=Cc2cccc(F)c2)C(=O)c2ccccc21	FEBRQDURCQYYHE-SRZZPIQSSA-N	.
LDCM0184	Compound 20	72892325	1-{2-[4-(2-METHOXYPHENYL)PIPERIDIN-1-YL]-2-OXOETHYL}PIPERIDIN-2-ONE	330.4	C19H26N2O3	49.8	446	1.9	24	0	3	4	InChI=1S/C19H26N2O3/c1-24-17-7-3-2-6-16(17)15-9-12-20(13-10-15)19(23)14-21-11-5-4-8-18(21)22/h2-3,6-7,15H,4-5,8-14H2,1H3	COC1=CC=CC=C1C2CCN(CC2)C(=O)CN3CCCCC3=O	COC1=CC=CC=C1C2CCN(CC2)C(=O)CN3CCCCC3=O	IFDIOSLWCKMIQF-UHFFFAOYSA-N	1-[2-[4-(2-methoxyphenyl)piperidin-1-yl]-2-oxoethyl]piperidin-2-one
LDCM0185	Compound 17	39340263	1144491-07-5; 4-(4-chlorophenyl)-1-(1H-indol-1-ylacetyl)-4-piperidinol; SCHEMBL21788677; EiM08-06666; STK659618; AKOS005589957; CCG-286979; 1-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-(1H-indol-1-yl)ethanone; 1-[4-(4-CHLOROPHENYL)-4-HYDROXYPIPERIDIN-1-YL]-2-(1H-INDOL-1-YL)ETHAN-1-ONE	368.9	C21H21ClN2O2	45.5	498	3.4	26	1	2	3	InChI=1S/C21H21ClN2O2/c22-18-7-5-17(6-8-18)21(26)10-13-23(14-11-21)20(25)15-24-12-9-16-3-1-2-4-19(16)24/h1-9,12,26H,10-11,13-15H2	C1CN(CCC1(C2=CC=C(C=C2)Cl)O)C(=O)CN3C=CC4=CC=CC=C43	C1CN(CCC1(C2=CC=C(C=C2)Cl)O)C(=O)CN3C=CC4=CC=CC=C43	WLCWUUZFTAFLNL-UHFFFAOYSA-N	1-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-indol-1-ylethanone
LDCM0186	Compound 31	50984751	.	340.4	C19H20N2O2S	82.5	487	3	24	0	4	4	InChI=1S/C19H20N2O2S/c1-24-13-16-7-8-17(23-16)18(22)21-11-9-19(14-20,10-12-21)15-5-3-2-4-6-15/h2-8H,9-13H2,1H3	CSCC1=CC=C(O1)C(=O)N2CCC(CC2)(C#N)C3=CC=CC=C3	CSCC1=CC=C(O1)C(=O)N2CCC(CC2)(C#N)C3=CC=CC=C3	BMTHDZNCFRCGOY-UHFFFAOYSA-N	1-[5-(methylsulfanylmethyl)furan-2-carbonyl]-4-phenylpiperidine-4-carbonitrile
LDCM0187	Compound 32	72884576	3-{2-[4-(4-fluorophenyl)-4-hydroxy-1-piperidinyl]-2-oxoethyl}-2,4-imidazolidinedione	335.33	C16H18FN3O4	90	525	-0.1	24	2	5	3	InChI=1S/C16H18FN3O4/c17-12-3-1-11(2-4-12)16(24)5-7-19(8-6-16)14(22)10-20-13(21)9-18-15(20)23/h1-4,24H,5-10H2,(H,18,23)	C1CN(CCC1(C2=CC=C(C=C2)F)O)C(=O)CN3C(=O)CNC3=O	C1CN(CCC1(C2=CC=C(C=C2)F)O)C(=O)CN3C(=O)CNC3=O	ZXOOYNVUSNYLPZ-UHFFFAOYSA-N	3-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
LDCM0188	Compound 33	60179846	(4-butyl-2-methyl-1,3-thiazol-5-yl)[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]methanone; 1351686-79-7; EiM08-23492; STL249983; AKOS024459620; (4-BUTYL-2-METHYL-1,3-THIAZOL-5-YL)[4-(4-CHLOROPHENYL)-4-HYDROXYPIPERIDINO]METHANONE	392.9	C20H25ClN2O2S	81.7	476	4.7	26	1	4	5	InChI=1S/C20H25ClN2O2S/c1-3-4-5-17-18(26-14(2)22-17)19(24)23-12-10-20(25,11-13-23)15-6-8-16(21)9-7-15/h6-9,25H,3-5,10-13H2,1-2H3	CCCCC1=C(SC(=N1)C)C(=O)N2CCC(CC2)(C3=CC=C(C=C3)Cl)O	CCCCC1=C(SC(=N1)C)C(=O)N2CCC(CC2)(C3=CC=C(C=C3)Cl)O	HAZBNIIOYNCYGY-UHFFFAOYSA-N	(4-butyl-2-methyl-1,3-thiazol-5-yl)-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]methanone
LDCM0189	Compound 16	47011187	SCHEMBL21788679; AKOS033019298; Z106884796	353.4	C22H24FNO2	38.3	524	4.5	26	1	4	5	InChI=1S/C22H24FNO2/c1-13(2)22(16-5-7-18(23)8-6-16)24-12-17-11-21(25)26-20-10-15(4)14(3)9-19(17)20/h5-11,13,22,24H,12H2,1-4H3	CC1=CC2=C(C=C1C)OC(=O)C=C2CNC(C3=CC=C(C=C3)F)C(C)C	CC1=CC2=C(C=C1C)OC(=O)C=C2CNC(C3=CC=C(C=C3)F)C(C)C	WCQRQGDAJGIPBU-UHFFFAOYSA-N	4-[[[1-(4-fluorophenyl)-2-methylpropyl]amino]methyl]-6,7-dimethylchromen-2-one
LDCM0190	Compound 34	17466281	AKOS033159455; Z119864292	387.8	C20H18ClNO5	65.099	555	3.7	27	0	5	7	InChI=1S/C20H18ClNO5/c1-22(10-11-25-17-5-3-2-4-16(17)21)19(23)13-26-15-8-6-14-7-9-20(24)27-18(14)12-15/h2-9,12H,10-11,13H2,1H3	CN(CCOC1=CC=CC=C1Cl)C(=O)COC2=CC3=C(C=C2)C=CC(=O)O3	CN(CCOC1=CC=CC=C1Cl)C(=O)COC2=CC3=C(C=C2)C=CC(=O)O3	LOTRZXIFUSPCHZ-UHFFFAOYSA-N	N-[2-(2-chlorophenoxy)ethyl]-N-methyl-2-(2-oxochromen-7-yl)oxyacetamide
LDCM0191	Compound 21	47089244	AKOS034746914; Z968724936	362.5	C23H26N2O2	32.8	555	4	27	0	4	5	InChI=1S/C23H26N2O2/c1-17-10-11-21-18(14-23(26)27-22(21)13-17)15-25-12-6-9-20(25)16-24(2)19-7-4-3-5-8-19/h3-5,7-8,10-11,13-14,20H,6,9,12,15-16H2,1-2H3	CC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CCCC3CN(C)C4=CC=CC=C4	CC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CCCC3CN(C)C4=CC=CC=C4	QSICZGJWEAZIIK-UHFFFAOYSA-N	7-methyl-4-[[2-[(N-methylanilino)methyl]pyrrolidin-1-yl]methyl]chromen-2-one
LDCM0192	Compound 35	38866751	AKOS034284618; Z406392028	334.3	C19H14N2O4	74.4	492	3.6	25	0	6	5	InChI=1S/C19H14N2O4/c22-19-9-7-14-6-8-15(11-16(14)24-19)23-12-18-20-17(21-25-18)10-13-4-2-1-3-5-13/h1-9,11H,10,12H2	C1=CC=C(C=C1)CC2=NOC(=N2)COC3=CC4=C(C=C3)C=CC(=O)O4	C1=CC=C(C=C1)CC2=NOC(=N2)COC3=CC4=C(C=C3)C=CC(=O)O4	CAPPJFIZDWHULS-UHFFFAOYSA-N	7-[(3-benzyl-1,2,4-oxadiazol-5-yl)methoxy]chromen-2-one
LDCM0193	Compound 36	3162850	N-cyclohexyl-3-oxo-3H-benzo[f]chromene-2-carboxamide; STL352898; AKOS000419326	321.4	C20H19NO3	55.4	535	4.5	24	1	3	2	InChI=1S/C20H19NO3/c22-19(21-14-7-2-1-3-8-14)17-12-16-15-9-5-4-6-13(15)10-11-18(16)24-20(17)23/h4-6,9-12,14H,1-3,7-8H2,(H,21,22)	C1CCC(CC1)NC(=O)C2=CC3=C(C=CC4=CC=CC=C43)OC2=O	C1CCC(CC1)NC(=O)C2=CC3=C(C=CC4=CC=CC=C43)OC2=O	ZGIFJFOWLMETRJ-UHFFFAOYSA-N	N-cyclohexyl-3-oxobenzo[f]chromene-2-carboxamide
LDCM0194	Compound 37	9100900	AKOS008004087; Z44451305	389.4	C24H23NO4	48	606	4	29	0	5	6	InChI=1S/C24H23NO4/c1-25(14-17-8-10-19(27-2)13-22(17)28-3)15-18-12-23(26)29-21-11-9-16-6-4-5-7-20(16)24(18)21/h4-13H,14-15H2,1-3H3	CN(CC1=C(C=C(C=C1)OC)OC)CC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3	CN(CC1=C(C=C(C=C1)OC)OC)CC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3	YTADYUKBHALWAR-UHFFFAOYSA-N	1-[[(2,4-dimethoxyphenyl)methyl-methylamino]methyl]benzo[f]chromen-3-one
LDCM0195	Compound 38	8514634	AKOS034354498; Z44557273	337.4	C21H23NO3	38.8	484	3.7	25	0	4	6	InChI=1S/C21H23NO3/c1-15-9-10-19-17(13-20(23)25-21(19)16(15)2)14-22(3)11-12-24-18-7-5-4-6-8-18/h4-10,13H,11-12,14H2,1-3H3	CC1=C(C2=C(C=C1)C(=CC(=O)O2)CN(C)CCOC3=CC=CC=C3)C	CC1=C(C2=C(C=C1)C(=CC(=O)O2)CN(C)CCOC3=CC=CC=C3)C	STFGBQVVFRIJSL-UHFFFAOYSA-N	7,8-dimethyl-4-[[methyl(2-phenoxyethyl)amino]methyl]chromen-2-one
LDCM0196	Compound 39	5498524	773866-17-4; 2-(7,8-Dihydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetic acid; 7,8-DIHYDROXY-4-METHYLCOUMARIN-3-ACETIC ACID; 2-(7,8-dihydroxy-4-methyl-2-oxochromen-3-yl)acetic acid; (7,8-Dihydroxy-4-methyl-2-oxo-2H-chromen-3-yl)-acetic acid; (7,8-dihydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetic acid; TimTec1_006396; SCHEMBL2791744; QCYGFCYJOHAJMS-UHFFFAOYSA-N; HMS1552C16; YFB86617; BBL030100; MFCD03788880; STK991541; AKOS005174875; VS-09605; CS-0279858; EN300-302464; 2-(7,8-Dihydroxy-4-methyl-2-oxo-2H-chromen-3-yl)aceticacid; 2H-1-Benzopyran-3-acetic acid, 7,8-dihydroxy-4-methyl-2-oxo-	250.2	C12H10O6	104	413	0.6	18	3	6	2	InChI=1S/C12H10O6/c1-5-6-2-3-8(13)10(16)11(6)18-12(17)7(5)4-9(14)15/h2-3,13,16H,4H2,1H3,(H,14,15)	CC1=C(C(=O)OC2=C1C=CC(=C2O)O)CC(=O)O	CC1=C(C(=O)OC2=C1C=CC(=C2O)O)CC(=O)O	QCYGFCYJOHAJMS-UHFFFAOYSA-N	2-(7,8-dihydroxy-4-methyl-2-oxochromen-3-yl)acetic acid
LDCM0197	Compound 40	715091	Oprea1_611728; 3-(1H-benzimidazol-2-yl)-6-methyl-2H-chromen-2-one; SCHEMBL12388196; STL357745; AKOS000418861; EU-0075776; 3-(1H-1,3-BENZODIAZOL-2-YL)-6-METHYL-2H-CHROMEN-2-ONE	276.29	C17H12N2O2	55	462	3.5	21	1	3	1	InChI=1S/C17H12N2O2/c1-10-6-7-15-11(8-10)9-12(17(20)21-15)16-18-13-4-2-3-5-14(13)19-16/h2-9H,1H3,(H,18,19)	CC1=CC2=C(C=C1)OC(=O)C(=C2)C3=NC4=CC=CC=C4N3	CC1=CC2=C(C=C1)OC(=O)C(=C2)C3=NC4=CC=CC=C4N3	AHDRAUGWDUXXFF-UHFFFAOYSA-N	3-(1H-benzimidazol-2-yl)-6-methylchromen-2-one
LDCM0198	Dimethyl Fumarate(DMF)	637568	Dimethyl fumarate; 624-49-7; Tecfidera; (E)-Dimethyl fumarate; Dimethylfumarate; Methyl fumarate; Fumaric acid, dimethyl ester; Fumaderm; Dimethyl (E)-but-2-enedioate; Fumaric acid dimethyl ester; BG-12; Boletic acid dimethyl ester; Panaclar; Dimethyl trans-ethylenedicarboxylate; trans-Butenedioic acid dimethyl ester; Allomaleic acid dimethyl ester; BG 12 compound; dimethyl (2E)-but-2-enedioate; BG00012; trans-1,2-Ethylenedicarboxylic acid dimethyl ester; 2-Butenedioic acid (E)-, dimethyl ester; BG-00012; FAG-201; BG 00012; AZL O 211089; AZL-O-211089; NSC-25942; Dimethylester kyseliny fumarove; NSC-167432; Dimethyl fumar; CHEBI:76004; (E)-but-2-enedioic acid dimethyl ester; dimethyl-fumarate; BG 12; FP187; Dimethyl fumarate [USAN]; 2-Butenedioic acid (2E)-, dimethyl ester; LAS41008; EINECS 210-849-0; UNII-FO2303MNI2; FP-187; LAS-41008; NSC 25942; TL 353; NSC 167432; AZL-0211089; BRN 0774590; FO2303MNI2; 1,2-bis(methoxycarbonyl)-trans-ethylene; 23055-10-9; Dimethyl 2-butenedioate; AI3-07872; HSDB 7725; BG 12 [Fumarate]; BG-12 [Fumarate]; Ethylene, 1,2-bis(methoxycarbonyl)-, trans-; Fumaric acid-dimethyl ester; 2-BUTENEDIOIC ACID, DIMETHYL ESTER, (E)-; Dimethyl (2e)-2-butenedioate; 2-butenedioic acid, (2E)-, dimethyl ester; dimethyl (~{E})-but-2-enedioate; 4-02-00-02205 (Beilstein Handbook Reference); But-2-enedioic acid, dimethyl ester; MFCD00064438; BG 12 (Fumarate); BG-12 (Fumarate); AZL 0 211089; 2-Butenedioic acid, dimethyl ester; Dimethyl fumarate (USAN); 2-Butenedioic acid (2E)-, 1,4-dimethyl ester; WLN: 1OV1U1VO1 -T; Fumaric acid-dimethyl ester 1000 microg/mL in Acetonitrile; BIS-METHYL ESTER; Fumarate, Dimethyl; Ethylene,2-bis(methoxycarbonyl)-, trans-; FAG201; FAG 201; Dimethylester kyseliny fumarove [Czech]; 1,4-dimethyl but-2-enedioate; FUMARIC ACID DIMETHYL ESTER (1,1,1,8,8,8-D6); Tecfidera (TN); Dimethyl fumarate, 97%; (E/Z)-Dimethyl fumarate; dimethyl trans-butenedioate; Dimethyl (E)-Butenedioate; Dimethyl (E)-butenedionate; SCHEMBL41835; SCHEMBL41836; DIMETHYL FUMARATE [MI]; Dimethyl fumarate (JAN/USAN); GTPL7045; DIMETHYL FUMARATE [JAN]; CHEMBL2107333; DIMETHYL FUMARATE [HSDB]; DTXSID4060787; DIMETHYL FUMARATE [VANDF]; 2-Butenedioic acid, dimethylester; HMS3264D14; Pharmakon1600-01506154; DIMETHYL FUMARATE [WHO-DD]; NSC25942; BDBM50504654; Fumaric acid, dimethyl ester (8CI); NSC167432; NSC760139; s2586; STK039379; Dimethyl ester(E)-2-Butenedioic acid; (E)-CH3OC(O)CH=CHC(O)OCH3; 1,4-dimethyl (2E)-but-2-enedioate; AKOS000121333; 1ST2537; CCG-213618; CS-0909; DB08908; Dimethyl ester(2E)-2-Butenedioic acid; DIMETHYL FUMARATE [ORANGE BOOK]; NSC-760139; (E)-2-Butenedioic Acid, Dimethyl Ester; HY-17363; LS-13141; 2-Butenedioic acid, dimethyl ester, (2E)-; CS-0369103; F0069; SW219154-1; EN300-16090; D03846; EN300-305306; H11241; AB00172980_03; AB00172980_04; Dimethyl fumarate, Vetec(TM) reagent grade, 97%; Q418123; SR-01000944222; SR-01000944222-1; trans-1, 2-Ethylenedicarboxylic acid dimethyl ester; BRD-K31111078-001-01-8; Z49500377; F0001-1675; Dimethyl fumarate, certified reference material, TraceCERT(R); 12287-98-8; EOU	144.12	C6H8O4	52.6	141	0.7	10	0	4	4	InChI=1S/C6H8O4/c1-9-5(7)3-4-6(8)10-2/h3-4H,1-2H3/b4-3+	COC(=O)/C=C/C(=O)OC	COC(=O)C=CC(=O)OC	LDCRTTXIJACKKU-ONEGZZNKSA-N	dimethyl (E)-but-2-enedioate
LDCM0199	BPK-21	138506247	BPK-21; 2305052-77-9; N-[(2,3-dichlorophenyl)methyl]-N-[4-phenoxy-3-(trifluoromethyl)phenyl]prop-2-enamide; SCHEMBL20857053; LTDXUNCJQPHZOF-UHFFFAOYSA-N; EX-A8254; AKOS040757535; MS-28589; CID 138506247; HY-141549; CS-0181179; G18258	466.3	C23H16Cl2F3NO2	29.5	612	7	31	0	5	6	InChI=1S/C23H16Cl2F3NO2/c1-2-21(30)29(14-15-7-6-10-19(24)22(15)25)16-11-12-20(18(13-16)23(26,27)28)31-17-8-4-3-5-9-17/h2-13H,1,14H2	C=CC(=O)N(CC1=C(C(=CC=C1)Cl)Cl)C2=CC(=C(C=C2)OC3=CC=CC=C3)C(F)(F)F	C=CC(=O)N(CC1=C(C(=CC=C1)Cl)Cl)C2=CC(=C(C=C2)OC3=CC=CC=C3)C(F)(F)F	LTDXUNCJQPHZOF-UHFFFAOYSA-N	N-[(2,3-dichlorophenyl)methyl]-N-[4-phenoxy-3-(trifluoromethyl)phenyl]prop-2-enamide
LDCM0200	BPK-25	138506238	BPK-25; 2305052-86-0; SCHEMBL20857044; EX-A8396; AKOS040757536; MS-26583; HY-141550; CS-0181180; G18259; 5-[(6-chloropyridin-2-yl)methyl-prop-2-enoylamino]-N-phenylpyridine-2-carboxamide	392.8	C21H17ClN4O2	75.2	553	3.4	28	1	4	6	InChI=1S/C21H17ClN4O2/c1-2-20(27)26(14-16-9-6-10-19(22)24-16)17-11-12-18(23-13-17)21(28)25-15-7-4-3-5-8-15/h2-13H,1,14H2,(H,25,28)	C=CC(=O)N(CC1=NC(=CC=C1)Cl)C2=CN=C(C=C2)C(=O)NC3=CC=CC=C3	C=CC(=O)N(CC1=NC(=CC=C1)Cl)C2=CN=C(C=C2)C(=O)NC3=CC=CC=C3	MHPBTJANPDDCPH-UHFFFAOYSA-N	5-[(6-chloropyridin-2-yl)methyl-prop-2-enoylamino]-N-phenylpyridine-2-carboxamide
LDCM0201	EV-3	156285911	SCHEMBL23259438; DB-392855; 2-chloro-1-[4-[[4-(4-pyridinyl)phenyl]sulfonyl]-1-piperazinyl]Ethanone; 2639633-92-2	379.9	C17H18ClN3O3S	79	544	1.5	25	0	5	4	InChI=1S/C17H18ClN3O3S/c18-13-17(22)20-9-11-21(12-10-20)25(23,24)16-3-1-14(2-4-16)15-5-7-19-8-6-15/h1-8H,9-13H2	C1CN(CCN1C(=O)CCl)S(=O)(=O)C2=CC=C(C=C2)C3=CC=NC=C3	C1CN(CCN1C(=O)CCl)S(=O)(=O)C2=CC=C(C=C2)C3=CC=NC=C3	WDIWPFBUNOJMFH-UHFFFAOYSA-N	2-chloro-1-[4-(4-pyridin-4-ylphenyl)sulfonylpiperazin-1-yl]ethanone
LDCM0202	EV-93	.	.	532.084	C31H34ClN3O3	53.09	531.2288696	4.8686	38	0	4	7	InChI=1S/C31H34ClN3O3/c32-22-30(36)35(27-11-5-2-6-12-27)29-14-15-34(23-26(29)20-24-8-3-1-4-9-24)31(37)25-10-7-13-28(21-25)33-16-18-38-19-17-33/h1-13,21,26,29H,14-20,22-23H2/t26-,29+/m1/s1	[H]c1c([H])c([H])c(N(C(=O)C([H])([H])Cl)[C@@]2([H])C([H])([H])C([H])([H])N(C(=O)c3c([H])c([H])c([H])c(N4C([H])([H])C([H])([H])OC([H])([H])C4([H])[H])c3[H])C([H])([H])[C@@]2([H])C([H])([H])c2c([H])c([H])c([H])c([H])c2[H])c([H])c1[H]	[H]c1c([H])c([H])c(N(C(=O)C([H])([H])Cl)C2([H])C([H])([H])C([H])([H])N(C(=O)c3c([H])c([H])c([H])c(N4C([H])([H])C([H])([H])OC([H])([H])C4([H])[H])c3[H])C([H])([H])C2([H])C([H])([H])c2c([H])c([H])c([H])c([H])c2[H])c([H])c1[H]	VUHJYPBEOSTBJQ-UHSQPCAPSA-N	.
LDCM0203	EV-96	155930195	SCHEMBL25511531	404.4	C23H20N2O5	80.9	699	3.5	30	1	5	4	InChI=1S/C23H20N2O5/c1-3-20(26)25-17(23(27)28-2)11-15-14-6-4-5-7-16(14)24-21(15)22(25)13-8-9-18-19(10-13)30-12-29-18/h3-10,17,22,24H,1,11-12H2,2H3/t17-,22+/m0/s1	COC(=O)[C@@H]1CC2=C([C@H](N1C(=O)C=C)C3=CC4=C(C=C3)OCO4)NC5=CC=CC=C25	COC(=O)C1CC2=C(C(N1C(=O)C=C)C3=CC4=C(C=C3)OCO4)NC5=CC=CC=C25	BZODWEHRZJOVCH-HTAPYJJXSA-N	methyl (1R,3S)-1-(1,3-benzodioxol-5-yl)-2-prop-2-enoyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate
LDCM0204	EV-97	168895274	.	404.4	C23H20N2O5	80.9	699	3.5	30	1	5	4	InChI=1S/C23H20N2O5/c1-3-20(26)25-17(23(27)28-2)11-15-14-6-4-5-7-16(14)24-21(15)22(25)13-8-9-18-19(10-13)30-12-29-18/h3-10,17,22,24H,1,11-12H2,2H3/t17-,22+/m1/s1	COC(=O)[C@H]1CC2=C([C@@H](N1C(=O)C=C)C3=CC4=C(C=C3)OCO4)NC5=CC=CC=C25	COC(=O)C1CC2=C(C(N1C(=O)C=C)C3=CC4=C(C=C3)OCO4)NC5=CC=CC=C25	BZODWEHRZJOVCH-VGSWGCGISA-N	methyl (1S,3R)-1-(1,3-benzodioxol-5-yl)-2-prop-2-enoyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate
LDCM0205	EV-98	155930196	.	404.4	C23H20N2O5	80.9	699	3.5	30	1	5	4	InChI=1S/C23H20N2O5/c1-3-20(26)25-17(23(27)28-2)11-15-14-6-4-5-7-16(14)24-21(15)22(25)13-8-9-18-19(10-13)30-12-29-18/h3-10,17,22,24H,1,11-12H2,2H3/t17-,22-/m0/s1	COC(=O)[C@@H]1CC2=C([C@@H](N1C(=O)C=C)C3=CC4=C(C=C3)OCO4)NC5=CC=CC=C25	COC(=O)C1CC2=C(C(N1C(=O)C=C)C3=CC4=C(C=C3)OCO4)NC5=CC=CC=C25	BZODWEHRZJOVCH-JTSKRJEESA-N	methyl (1S,3S)-1-(1,3-benzodioxol-5-yl)-2-prop-2-enoyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate
LDCM0206	EV-99	168895265	SCHEMBL25511539	404.4	C23H20N2O5	80.9	699	3.5	30	1	5	4	InChI=1S/C23H20N2O5/c1-3-20(26)25-17(23(27)28-2)11-15-14-6-4-5-7-16(14)24-21(15)22(25)13-8-9-18-19(10-13)30-12-29-18/h3-10,17,22,24H,1,11-12H2,2H3/t17-,22-/m1/s1	COC(=O)[C@H]1CC2=C([C@H](N1C(=O)C=C)C3=CC4=C(C=C3)OCO4)NC5=CC=CC=C25	COC(=O)C1CC2=C(C(N1C(=O)C=C)C3=CC4=C(C=C3)OCO4)NC5=CC=CC=C25	BZODWEHRZJOVCH-VGOFRKELSA-N	methyl (1R,3R)-1-(1,3-benzodioxol-5-yl)-2-prop-2-enoyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate
LDCM0207	Ibrutinib	24821094	Ibrutinib; 936563-96-1; PCI-32765; IMBRUVICA; PCI 32765; Ibrutinib (PCI-32765); PCI-32765 (Ibrutinib); CRA-032765; ibrutinibum; Pc-32765; (R)-1-(3-(4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one; UNII-1X70OSD4VX; PCI32765; 1X70OSD4VX; JNJ 02; PCI-32765-00; CHEBI:76612; C25H24N6O2; CRA 032765; 1-[(3R)-3-[4-Amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one; HSDB 8260; DTXSID60893450; 2-Propen-1-one, 1-((3R)-3-(4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo(3,4-d)pyrimidin-1-yl)-1-piperidinyl)-; 1-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one; 1-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}prop-2-en-1-one; (R)-1-(3-(4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one.; 1-((3R)-3-(4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo(3,4-d)pyrimidin-1-yl)piperidin-1- yl)prop-2-en-1-one; Ibrutinib [USAN]; Ibrutinib [USAN:INN]; Imbruvica (TN); Ibrutinib- Bio-X; 1-((3R)-3-(4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo(3,4-d)pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one; 1-{(3R)-3-[4-Amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1- yl}prop-2-en-1-one; Ibrutinib, Free Base; IBRUTINIB [INN]; IBRUTINIB [JAN]; IBRUTINIB [MI]; Ibrutinib (JAN/USAN); IBRUTINIB [VANDF]; IBRUTINIB [WHO-DD]; Imbruvica; PCI-32765; MLS006010041; SCHEMBL201859; GTPL6912; IBRUTINIB [ORANGE BOOK]; CHEMBL1873475; EX-A066; L01XE27; XYFPWWZEPKGCCK-GOSISDBHSA-N; DTXCID601323465; AMY27873; BDBM50357312; MFCD20261150; NSC800769; AKOS022185476; DB09053; EX-5960; NSC-800769; NCGC00187912-01; NCGC00187912-02; NCGC00187912-03; NCGC00187912-12; NCGC00187912-17; NCGC00187912-18; (R)-1-(3-(4-Amino-3-(4-phenoxyphenyl)-1H-pyrazolo-[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one; AC-26942; BI164531; HY-10997; SMR004701213; NS00072153; SW218096-2; EN300-97039; D10223; A1-01649; J-523872; Q5984881; Z1302446275; (R)-3-(4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-ylprop-2-en-1-one; 1-((R)-3-(4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one; 1-[(3R)-3-[4-Amino-3-(4-phenoxyphenyl)pyrazolo[3, 4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one	440.5	C25H24N6O2	99.2	678	3.6	33	1	6	5	InChI=1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28)/t18-/m1/s1	C=CC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N	C=CC(=O)N1CCCC(C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N	XYFPWWZEPKGCCK-GOSISDBHSA-N	1-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one
LDCM0208	Sulfopin	155804394	sulfopin; 2451481-08-4; 2-chloro-N-(2,2-dimethylpropyl)-N-(1,1-dioxothiolan-3-yl)acetamide; Acetamide, 2-chloro-N-(2,2-dimethylpropyl)-N-(tetrahydro-1,1-dioxido-3-thienyl)-; PIN1-3; Sulfopin?; SCHEMBL23928919; GTPL11540; EX-A5336; AKOS040759747; AC-36913; MS-24002; HY-139361; CS-0198725; G17533; EN300-6495949; Z3375875148; 2-chloro-N-(2,2-dimethylpropyl)-N-(1,1-dioxo-1??-thiolan-3-yl)acetamide; 2-chloro-N-(2,2-dimethylpropyl)-N-(1,1-dioxo-1lambda6-thiolan-3-yl)acetamide; 2-CHLORO-N-(2,2-DIMETHYLPROPYL)-N-(TETRAHYDRO-1,1-DIOXIDO-3-THIENYL)-ACETAMIDE	281.8	C11H20ClNO3S	62.8	381	1.6	17	0	3	4	InChI=1S/C11H20ClNO3S/c1-11(2,3)8-13(10(14)6-12)9-4-5-17(15,16)7-9/h9H,4-8H2,1-3H3	CC(C)(C)CN(C1CCS(=O)(=O)C1)C(=O)CCl	CC(C)(C)CN(C1CCS(=O)(=O)C1)C(=O)CCl	NMHVAHHYKGXBMY-UHFFFAOYSA-N	2-chloro-N-(2,2-dimethylpropyl)-N-(1,1-dioxothiolan-3-yl)acetamide
LDCM0210	BTD.biotin(13C)	155551901	CHEMBL4569928; 1-(Pent-4-yn-1-yl)1H-benzo[c][1,2]thiazin-4(3H)-on-2,2-dioxid	263.31	C13H13NO3S	62.8	468	1.6	18	0	4	3	InChI=1S/C13H13NO3S/c1-2-3-6-9-14-12-8-5-4-7-11(12)13(15)10-18(14,16)17/h1,4-5,7-8H,3,6,9-10H2	C#CCCCN1C2=CC=CC=C2C(=O)CS1(=O)=O	C#CCCCN1C2=CC=CC=C2C(=O)CS1(=O)=O	GSSKUKMXWRNMFK-UHFFFAOYSA-N	2,2-dioxo-1-pent-4-ynyl-2lambda6,1-benzothiazin-4-one
LDCM0211	Nucleophilic fragment 3b	108814470	N-(3,5-bis(trifluoromethyl)phenyl)-2-nitroacetamide	316.16	C10H6F6N2O3	74.9	381	4.3	21	1	9	2	InChI=1S/C10H6F6N2O3/c11-9(12,13)5-1-6(10(14,15)16)3-7(2-5)17-8(19)4-18(20)21/h1-3H,4H2,(H,17,19)	C1=C(C=C(C=C1C(F)(F)F)NC(=O)C[N+](=O)[O-])C(F)(F)F	C1=C(C=C(C=C1C(F)(F)F)NC(=O)C[N+](=O)[O-])C(F)(F)F	CVBBHJPSRKRZPM-UHFFFAOYSA-N	N-[3,5-bis(trifluoromethyl)phenyl]-2-nitroacetamide
LDCM0213	Electrophilic fragment 2	874607	N-[3,5-bis(trifluoromethyl)phenyl]propanamide; Maybridge1_006386; SCHEMBL14263848; HMS559K06; NIVBQDNKNQZBGJ-UHFFFAOYSA-N; CCG-4066; AB00102879-01	285.19	C11H9F6NO	29.1	302	4.2	19	1	7	2	InChI=1S/C11H9F6NO/c1-2-9(19)18-8-4-6(10(12,13)14)3-7(5-8)11(15,16)17/h3-5H,2H2,1H3,(H,18,19)	CCC(=O)NC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F	CCC(=O)NC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F	NIVBQDNKNQZBGJ-UHFFFAOYSA-N	N-[3,5-bis(trifluoromethyl)phenyl]propanamide
LDCM0214	AC1	132327018	1-[4-(5-Ethyl-1,3-thiazol-2-yl)piperazin-1-yl]prop-2-en-1-one; 2179723-74-9; AKOS033934948; EN300-6689106; Z3488529537	251.35	C12H17N3OS	64.7	290	2.1	17	0	4	3	InChI=1S/C12H17N3OS/c1-3-10-9-13-12(17-10)15-7-5-14(6-8-15)11(16)4-2/h4,9H,2-3,5-8H2,1H3	CCC1=CN=C(S1)N2CCN(CC2)C(=O)C=C	CCC1=CN=C(S1)N2CCN(CC2)C(=O)C=C	HDPQCGAKBPMKBP-UHFFFAOYSA-N	1-[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]prop-2-en-1-one
LDCM0215	AC10	136538516	N-[1-(5-Ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]prop-2-enamide; 2191871-60-8; AKOS033679131; EN300-6636798; Z3488504609	235.28	C12H17N3O2	68	300	1.8	17	1	4	4	InChI=1S/C12H17N3O2/c1-3-9(16)14-12(7-5-6-8-12)11-13-10(4-2)17-15-11/h3H,1,4-8H2,2H3,(H,14,16)	CCC1=NC(=NO1)C2(CCCC2)NC(=O)C=C	CCC1=NC(=NO1)C2(CCCC2)NC(=O)C=C	BXDUWAUPSHABDK-UHFFFAOYSA-N	N-[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]prop-2-enamide
LDCM0216	AC100	126832354	N-(2,2-dioxo-3,4-dihydro-1H-2lambda6-benzothiopyran-4-yl)prop-2-enamide; 2094205-88-4; EN300-26598467; Z2867530074; N-(2,2-dioxo-3,4-dihydro-1H-isothiochromen-4-yl)prop-2-enamide	251.3	C12H13NO3S	71.6	410	0.6	17	1	3	2	InChI=1S/C12H13NO3S/c1-2-12(14)13-11-8-17(15,16)7-9-5-3-4-6-10(9)11/h2-6,11H,1,7-8H2,(H,13,14)	C=CC(=O)NC1CS(=O)(=O)CC2=CC=CC=C12	C=CC(=O)NC1CS(=O)(=O)CC2=CC=CC=C12	GIDVIXWIXCMGSM-UHFFFAOYSA-N	N-(2,2-dioxo-3,4-dihydro-1H-isothiochromen-4-yl)prop-2-enamide
LDCM0217	AC101	116204777	n-[(thian-4-yl)methyl]prop-2-enamide; 1598513-73-5; N-(Thian-4-ylmethyl)prop-2-enamide; AKOS033934864; EN300-2648669; Z1706024520	185.29	C9H15NOS	54.4	164	1.5	12	1	2	3	InChI=1S/C9H15NOS/c1-2-9(11)10-7-8-3-5-12-6-4-8/h2,8H,1,3-7H2,(H,10,11)	C=CC(=O)NCC1CCSCC1	C=CC(=O)NCC1CCSCC1	WECUXMAMFQBHIH-UHFFFAOYSA-N	N-(thian-4-ylmethyl)prop-2-enamide
LDCM0218	AC102	139428	N-Benzylacrylamide; 13304-62-6; N-benzylprop-2-enamide; 2-Propenamide, N-(phenylmethyl)-; MFCD00015333; N-Benzyl acrylamide; N-Benzylacrylamide,; Enamine_005841; SCHEMBL40744; CHEMBL2426249; DTXSID30157915; HMS1410J11; AKOS001024077; IDI1_008076; AC-33878; AS-15574; PD062466; SY101151; B6288; CS-0113855; NS00024257; EN300-66177; Q-102058; Q10334928; Z56757233	161.2	C10H11NO	29.1	159	1.5	12	1	1	3	InChI=1S/C10H11NO/c1-2-10(12)11-8-9-6-4-3-5-7-9/h2-7H,1,8H2,(H,11,12)	C=CC(=O)NCC1=CC=CC=C1	C=CC(=O)NCC1=CC=CC=C1	OHLHOLGYGRKZMU-UHFFFAOYSA-N	N-benzylprop-2-enamide
LDCM0219	AC103	132306315	2193936-82-0; AKOS033678809; EN300-26598621; Z1937920676; N-[2-(6-Fluoro-4H-1,3-benzodioxin-8-yl)ethyl]prop-2-enamide; N-[2-(6-fluoro-2,4-dihydro-1,3-benzodioxin-8-yl)ethyl]prop-2-enamide	251.25	C13H14FNO3	47.6	311	1.7	18	1	4	4	InChI=1S/C13H14FNO3/c1-2-12(16)15-4-3-9-5-11(14)6-10-7-17-8-18-13(9)10/h2,5-6H,1,3-4,7-8H2,(H,15,16)	C=CC(=O)NCCC1=CC(=CC2=C1OCOC2)F	C=CC(=O)NCCC1=CC(=CC2=C1OCOC2)F	AIYUMOUVTHDMOR-UHFFFAOYSA-N	N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]prop-2-enamide
LDCM0220	AC104	121582291	N-(2-{3-chloropyrazolo[1,5-a]pyrimidin-6-yl}ethyl)prop-2-enamide; 2094716-16-0; N-[2-(3-chloropyrazolo[1,5-a]pyrimidin-6-yl)ethyl]prop-2-enamide; AKOS033850117; EN300-7522059; Z2737383556; N-(2-(3-Chloropyrazolo[1,5-a]pyrimidin-6-yl)ethyl)acrylamide	250.68	C11H11ClN4O	59.3	299	1.1	17	1	3	4	InChI=1S/C11H11ClN4O/c1-2-10(17)13-4-3-8-5-14-11-9(12)6-15-16(11)7-8/h2,5-7H,1,3-4H2,(H,13,17)	C=CC(=O)NCCC1=CN2C(=C(C=N2)Cl)N=C1	C=CC(=O)NCCC1=CN2C(=C(C=N2)Cl)N=C1	ODVPPOGTILUWPJ-UHFFFAOYSA-N	N-[2-(3-chloropyrazolo[1,5-a]pyrimidin-6-yl)ethyl]prop-2-enamide
LDCM0221	AC105	132317689	2223087-33-8; AKOS034818718; EN300-6702343; Z3488540619; N-[(2R,3R)-1-methyl-2-(1-methyl-1H-pyrazol-5-yl)-5-oxopyrrolidin-3-yl]prop-2-enamide; N-[(2R,3R)-1-Methyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]prop-2-enamide	248.28	C12H16N4O2	67.2	371	-0.7	18	1	3	3	InChI=1S/C12H16N4O2/c1-4-10(17)14-8-7-11(18)15(2)12(8)9-5-6-13-16(9)3/h4-6,8,12H,1,7H2,2-3H3,(H,14,17)/t8-,12-/m1/s1	CN1[C@H]([C@@H](CC1=O)NC(=O)C=C)C2=CC=NN2C	CN1C(C(CC1=O)NC(=O)C=C)C2=CC=NN2C	JTIIGJXYHYRJQD-PRHODGIISA-N	N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]prop-2-enamide
LDCM0222	AC106	132317218	2190141-18-3; N-[1-(Methoxymethyl)pyrazol-4-yl]prop-2-enamide; N-[1-(methoxymethyl)-1H-pyrazol-4-yl]prop-2-enamide; AKOS034007086; EN300-7522367; Z3488536679	181.19	C8H11N3O2	56.2	196	-0.1	13	1	3	4	InChI=1S/C8H11N3O2/c1-3-8(12)10-7-4-9-11(5-7)6-13-2/h3-5H,1,6H2,2H3,(H,10,12)	COCN1C=C(C=N1)NC(=O)C=C	COCN1C=C(C=N1)NC(=O)C=C	VGDVAZGXBGSUIQ-UHFFFAOYSA-N	N-[1-(methoxymethyl)pyrazol-4-yl]prop-2-enamide
LDCM0223	AC107	132326960	2196078-49-4; N-[(2S)-3-Methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]prop-2-enamide; N-[(2S)-3-methyl-1-oxo-1-(pyrrolidin-1-yl)butan-2-yl]prop-2-enamide; AKOS034813973; EN300-6689063; Z3488528680	224.3	C12H20N2O2	49.4	281	1.5	16	1	2	4	InChI=1S/C12H20N2O2/c1-4-10(15)13-11(9(2)3)12(16)14-7-5-6-8-14/h4,9,11H,1,5-8H2,2-3H3,(H,13,15)/t11-/m0/s1	CC(C)[C@@H](C(=O)N1CCCC1)NC(=O)C=C	CC(C)C(C(=O)N1CCCC1)NC(=O)C=C	FJOXQUNZYCECHL-NSHDSACASA-N	N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]prop-2-enamide
LDCM0224	AC108	132306312	N-[(4-phenyloxan-4-yl)methyl]prop-2-enamide; 1333203-86-3; AKOS033678806; EN300-6636692; Z3488504694	245.32	C15H19NO2	38.3	289	2.2	18	1	2	4	InChI=1S/C15H19NO2/c1-2-14(17)16-12-15(8-10-18-11-9-15)13-6-4-3-5-7-13/h2-7H,1,8-12H2,(H,16,17)	C=CC(=O)NCC1(CCOCC1)C2=CC=CC=C2	C=CC(=O)NCC1(CCOCC1)C2=CC=CC=C2	ZGXHGIIGQQSLRL-UHFFFAOYSA-N	N-[(4-phenyloxan-4-yl)methyl]prop-2-enamide
LDCM0225	AC109	132317355	2189894-92-4; AKOS034007252; EN300-6702135; Z3488537632; 1-(5,6-Difluoro-1,3-dihydroisoindol-2-yl)prop-2-en-1-one; 1-(5,6-difluoro-2,3-dihydro-1H-isoindol-2-yl)prop-2-en-1-one	209.19	C11H9F2NO	20.3	264	1.6	15	0	3	1	InChI=1S/C11H9F2NO/c1-2-11(15)14-5-7-3-9(12)10(13)4-8(7)6-14/h2-4H,1,5-6H2	C=CC(=O)N1CC2=CC(=C(C=C2C1)F)F	C=CC(=O)N1CC2=CC(=C(C=C2C1)F)F	IPQCNCIOSIHRQB-UHFFFAOYSA-N	1-(5,6-difluoro-1,3-dihydroisoindol-2-yl)prop-2-en-1-one
LDCM0226	AC11	121582224	(4aS,8aR)-7-(prop-2-enoyl)-octahydro-1H-pyrido[3,4-d][1,3]oxazin-2-one; 2094017-94-2; AKOS034810841; EN300-7522054; Z4133427368; (4aS,8aR)-7-prop-2-enoyl-4,4a,5,6,8,8a-hexahydro-1H-pyrido[3,4-d][1,3]oxazin-2-one	210.23	C10H14N2O3	58.6	303	0.3	15	1	3	1	InChI=1S/C10H14N2O3/c1-2-9(13)12-4-3-7-6-15-10(14)11-8(7)5-12/h2,7-8H,1,3-6H2,(H,11,14)/t7-,8+/m1/s1	C=CC(=O)N1CC[C@@H]2COC(=O)N[C@H]2C1	C=CC(=O)N1CCC2COC(=O)NC2C1	OXBYJLYBNNFFEV-SFYZADRCSA-N	(4aS,8aR)-7-prop-2-enoyl-4,4a,5,6,8,8a-hexahydro-1H-pyrido[3,4-d][1,3]oxazin-2-one
LDCM0227	AC110	132326884	2196077-13-9; N-[1-[3-(Trifluoromethyl)phenyl]piperidin-4-yl]prop-2-enamide; N-{1-[3-(trifluoromethyl)phenyl]piperidin-4-yl}prop-2-enamide; AKOS033934768; EN300-6689005; Z3488529695	298.3	C15H17F3N2O	32.299	376	3.4	21	1	5	3	InChI=1S/C15H17F3N2O/c1-2-14(21)19-12-6-8-20(9-7-12)13-5-3-4-11(10-13)15(16,17)18/h2-5,10,12H,1,6-9H2,(H,19,21)	C=CC(=O)NC1CCN(CC1)C2=CC=CC(=C2)C(F)(F)F	C=CC(=O)NC1CCN(CC1)C2=CC=CC(=C2)C(F)(F)F	UGXRFVRNXDOCRY-UHFFFAOYSA-N	N-[1-[3-(trifluoromethyl)phenyl]piperidin-4-yl]prop-2-enamide
LDCM0228	AC111	132317755	AKOS034007683; Z3488539494	257.329	C15H19N3O	46.1	382	1.9	19	0	3	2	InChI=1S/C15H19N3O/c1-4-14(19)18-10-5-6-13(18)11-8-16-15(9(2)3)17-12(11)7-10/h4,8-10,13H,1,5-7H2,2-3H3	CC(C)C1=NC=C2C3CCC(N3C(=O)C=C)CC2=N1	CC(C)C1=NC=C2C3CCC(N3C(=O)C=C)CC2=N1	IGHNLJMOIBYERL-UHFFFAOYSA-N	1-(5-propan-2-yl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-12-yl)prop-2-en-1-one
LDCM0229	AC112	139015438	2305325-90-8; 1-(6-Methyl-2-oxa-6,9-diazaspiro[4.5]decan-9-yl)prop-2-en-1-one; 1-{6-methyl-2-oxa-6,9-diazaspiro[4.5]decan-9-yl}prop-2-en-1-one; EN300-7531590; Z3490366327	210.27	C11H18N2O2	32.8	280	0	15	0	3	1	InChI=1S/C11H18N2O2/c1-3-10(14)13-6-5-12(2)11(8-13)4-7-15-9-11/h3H,1,4-9H2,2H3	CN1CCN(CC12CCOC2)C(=O)C=C	CN1CCN(CC12CCOC2)C(=O)C=C	HVVQPWYRSRYYKG-UHFFFAOYSA-N	1-(6-methyl-2-oxa-6,9-diazaspiro[4.5]decan-9-yl)prop-2-en-1-one
LDCM0230	AC113	80600745	N-(Thian-2-ylmethyl)prop-2-enamide; 1516749-33-9; N-[(thian-2-yl)methyl]prop-2-enamide; AKOS019167171; EN300-5111343; Z1413801321	185.29	C9H15NOS	54.4	170	1.7	12	1	2	3	InChI=1S/C9H15NOS/c1-2-9(11)10-7-8-5-3-4-6-12-8/h2,8H,1,3-7H2,(H,10,11)	C=CC(=O)NCC1CCCCS1	C=CC(=O)NCC1CCCCS1	JQOPJTJITZORCA-UHFFFAOYSA-N	N-(thian-2-ylmethyl)prop-2-enamide
LDCM0231	AC114	132317459	2176573-71-8; N-(2,3-Dihydro-1-benzothiophen-3-ylmethyl)prop-2-enamide; AKOS034007382; EN300-6702199; Z3488539335; N-[(2,3-dihydro-1-benzothiophen-3-yl)methyl]prop-2-enamide	219.3	C12H13NOS	54.4	254	2.2	15	1	2	3	InChI=1S/C12H13NOS/c1-2-12(14)13-7-9-8-15-11-6-4-3-5-10(9)11/h2-6,9H,1,7-8H2,(H,13,14)	C=CC(=O)NCC1CSC2=CC=CC=C12	C=CC(=O)NCC1CSC2=CC=CC=C12	HOIAHBFJUZOQJF-UHFFFAOYSA-N	N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)prop-2-enamide
LDCM0232	AC115	132317822	N-[4-(3-Fluoro-4-methoxyphenyl)oxan-4-yl]prop-2-enamide; 2193415-48-2; AKOS034007743; EN300-6702409; Z3488635602	279.31	C15H18FNO3	47.6	355	1.9	20	1	4	4	InChI=1S/C15H18FNO3/c1-3-14(18)17-15(6-8-20-9-7-15)11-4-5-13(19-2)12(16)10-11/h3-5,10H,1,6-9H2,2H3,(H,17,18)	COC1=C(C=C(C=C1)C2(CCOCC2)NC(=O)C=C)F	COC1=C(C=C(C=C1)C2(CCOCC2)NC(=O)C=C)F	VGYBUGLVLRXFNE-UHFFFAOYSA-N	N-[4-(3-fluoro-4-methoxyphenyl)oxan-4-yl]prop-2-enamide
LDCM0233	AC116	126831693	3-methyl-2-phenyl-1-(prop-2-enoyl)imidazolidin-4-one; 2094479-77-1; SCHEMBL24747271; AKOS034000063; EN300-6699694; 3-methyl-2-phenyl-1-prop-2-enoylimidazolidin-4-one; Z2867529431	230.26	C13H14N2O2	40.6	334	1.2	17	0	2	2	InChI=1S/C13H14N2O2/c1-3-11(16)15-9-12(17)14(2)13(15)10-7-5-4-6-8-10/h3-8,13H,1,9H2,2H3	CN1C(N(CC1=O)C(=O)C=C)C2=CC=CC=C2	CN1C(N(CC1=O)C(=O)C=C)C2=CC=CC=C2	BALRXYUVDHHPOL-UHFFFAOYSA-N	3-methyl-2-phenyl-1-prop-2-enoylimidazolidin-4-one
LDCM0234	AC117	132317424	N-[2-(1,3-Dihydro-2-benzofuran-5-yl)ethyl]prop-2-enamide; 2176573-54-7; AKOS034007342; EN300-6702179; Z3488539486	217.26	C13H15NO2	38.3	265	1.3	16	1	2	4	InChI=1S/C13H15NO2/c1-2-13(15)14-6-5-10-3-4-11-8-16-9-12(11)7-10/h2-4,7H,1,5-6,8-9H2,(H,14,15)	C=CC(=O)NCCC1=CC2=C(COC2)C=C1	C=CC(=O)NCCC1=CC2=C(COC2)C=C1	OSUBFVIMBDKKAW-UHFFFAOYSA-N	N-[2-(1,3-dihydro-2-benzofuran-5-yl)ethyl]prop-2-enamide
LDCM0235	AC118	121581866	AKOS033849783; EN300-6669956; N-[4-(1,3-dioxaindan-5-yl)butan-2-yl]prop-2-enamide; Z2737383130; 2109126-57-8	247.29	C14H17NO3	47.6	305	2.8	18	1	3	5	InChI=1S/C14H17NO3/c1-3-14(16)15-10(2)4-5-11-6-7-12-13(8-11)18-9-17-12/h3,6-8,10H,1,4-5,9H2,2H3,(H,15,16)	CC(CCC1=CC2=C(C=C1)OCO2)NC(=O)C=C	CC(CCC1=CC2=C(C=C1)OCO2)NC(=O)C=C	FCYUIPGCAUBGFS-UHFFFAOYSA-N	N-[4-(1,3-benzodioxol-5-yl)butan-2-yl]prop-2-enamide
LDCM0236	AC119	132306444	N-[2-(4,5,6,7-Tetrahydro-1,3-benzothiazol-2-yl)ethyl]prop-2-enamide; 2176544-77-5; AKOS033679218; EN300-6636822; Z3488504327	236.34	C12H16N2OS	70.2	270	2.2	16	1	3	4	InChI=1S/C12H16N2OS/c1-2-11(15)13-8-7-12-14-9-5-3-4-6-10(9)16-12/h2H,1,3-8H2,(H,13,15)	C=CC(=O)NCCC1=NC2=C(S1)CCCC2	C=CC(=O)NCCC1=NC2=C(S1)CCCC2	GGXKFLUOWCOJDF-UHFFFAOYSA-N	N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]prop-2-enamide
LDCM0237	AC12	132317525	2191062-25-4; EN300-6702251; Z3488539024; N-[(2-Methyl-3-oxo-1H-isoindol-1-yl)methyl]prop-2-enamide; N-[(2-methyl-3-oxo-2,3-dihydro-1H-isoindol-1-yl)methyl]prop-2-enamide	230.26	C13H14N2O2	49.4	340	0.9	17	1	2	3	InChI=1S/C13H14N2O2/c1-3-12(16)14-8-11-9-6-4-5-7-10(9)13(17)15(11)2/h3-7,11H,1,8H2,2H3,(H,14,16)	CN1C(C2=CC=CC=C2C1=O)CNC(=O)C=C	CN1C(C2=CC=CC=C2C1=O)CNC(=O)C=C	IRIJSJYDBRQGMQ-UHFFFAOYSA-N	N-[(2-methyl-3-oxo-1H-isoindol-1-yl)methyl]prop-2-enamide
LDCM0238	AC120	121581993	N-[2-cyclohexyl-1-(pyrimidin-2-yl)ethyl]prop-2-enamide; 2094872-12-3; EN300-7521973; N-(2-cyclohexyl-1-pyrimidin-2-ylethyl)prop-2-enamide; Z2737383254	259.35	C15H21N3O	54.9	294	3.1	19	1	3	5	InChI=1S/C15H21N3O/c1-2-14(19)18-13(15-16-9-6-10-17-15)11-12-7-4-3-5-8-12/h2,6,9-10,12-13H,1,3-5,7-8,11H2,(H,18,19)	C=CC(=O)NC(CC1CCCCC1)C2=NC=CC=N2	C=CC(=O)NC(CC1CCCCC1)C2=NC=CC=N2	REQZUDACIJOABI-UHFFFAOYSA-N	N-(2-cyclohexyl-1-pyrimidin-2-ylethyl)prop-2-enamide
LDCM0239	AC121	132317774	2196447-82-0; AKOS034007700; EN300-6702388; Z3488540786; N-[2-(2,3-Dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]prop-2-enamide; N-{[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]methyl}prop-2-enamide	262.26	C13H14N2O4	76.7	359	0.8	19	2	4	4	InChI=1S/C13H14N2O4/c1-2-12(16)14-8-13(17)15-9-3-4-10-11(7-9)19-6-5-18-10/h2-4,7H,1,5-6,8H2,(H,14,16)(H,15,17)	C=CC(=O)NCC(=O)NC1=CC2=C(C=C1)OCCO2	C=CC(=O)NCC(=O)NC1=CC2=C(C=C1)OCCO2	HPOYLMDDCUOROJ-UHFFFAOYSA-N	N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]prop-2-enamide
LDCM0240	AC122	105549716	1690704-29-0; AKOS034052612; EN300-2600098; 3-Methyl-1-prop-2-enoylpyrrolidine-3-carboxamide; 3-methyl-1-(prop-2-enoyl)pyrrolidine-3-carboxamide; Z1954240184	182.22	C9H14N2O2	63.4	262	-0.3	13	1	2	2	InChI=1S/C9H14N2O2/c1-3-7(12)11-5-4-9(2,6-11)8(10)13/h3H,1,4-6H2,2H3,(H2,10,13)	CC1(CCN(C1)C(=O)C=C)C(=O)N	CC1(CCN(C1)C(=O)C=C)C(=O)N	UXDQKXNUCNSQQD-UHFFFAOYSA-N	3-methyl-1-prop-2-enoylpyrrolidine-3-carboxamide
LDCM0241	AC123	136555842	2224251-71-0; AKOS034007570; EN300-6702314; Z3488635031; 1-[4-(4-Chloropyrazol-1-yl)piperidin-1-yl]prop-2-en-1-one; 1-[4-(4-chloro-1H-pyrazol-1-yl)piperidin-1-yl]prop-2-en-1-one	239.7	C11H14ClN3O	38.1	276	1.4	16	0	2	2	InChI=1S/C11H14ClN3O/c1-2-11(16)14-5-3-10(4-6-14)15-8-9(12)7-13-15/h2,7-8,10H,1,3-6H2	C=CC(=O)N1CCC(CC1)N2C=C(C=N2)Cl	C=CC(=O)N1CCC(CC1)N2C=C(C=N2)Cl	FATIFXOABQBNAH-UHFFFAOYSA-N	1-[4-(4-chloropyrazol-1-yl)piperidin-1-yl]prop-2-en-1-one
LDCM0242	AC124	21617683	1538247-84-5; 2-Propenamide, N-(3-isoxazolylmethyl)-; N-[(1,2-oxazol-3-yl)methyl]prop-2-enamide; DTXSID001284805; AKOS019741387; EN300-2978483; Z1436318636	152.15	C7H8N2O2	55.1	159	0.1	11	1	3	3	InChI=1S/C7H8N2O2/c1-2-7(10)8-5-6-3-4-11-9-6/h2-4H,1,5H2,(H,8,10)	C=CC(=O)NCC1=NOC=C1	C=CC(=O)NCC1=NOC=C1	OWCXREPTRODTPD-UHFFFAOYSA-N	N-(1,2-oxazol-3-ylmethyl)prop-2-enamide
LDCM0243	AC125	132317711	2188733-79-9; AKOS034007644; EN300-6702354; Z3488539665; 1-[4-(dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]prop-2-en-1-one; 1-[4-(4,5-Dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]prop-2-en-1-one	250.36	C13H18N2OS	61.4	300	2.4	17	0	3	2	InChI=1S/C13H18N2OS/c1-4-12(16)15-7-5-11(6-8-15)13-14-9(2)10(3)17-13/h4,11H,1,5-8H2,2-3H3	CC1=C(SC(=N1)C2CCN(CC2)C(=O)C=C)C	CC1=C(SC(=N1)C2CCN(CC2)C(=O)C=C)C	OCGNVUWCWLFIPJ-UHFFFAOYSA-N	1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]prop-2-en-1-one
LDCM0244	AC126	132310119	AKOS034052604; Z2471982886	187.24	C12H13NO	29.1	225	2.6	14	1	1	3	InChI=1S/C12H13NO/c1-2-12(14)13-11-7-5-10(6-8-11)9-3-4-9/h2,5-9H,1,3-4H2,(H,13,14)	C=CC(=O)NC1=CC=C(C=C1)C2CC2	C=CC(=O)NC1=CC=C(C=C1)C2CC2	XNALRQRPKWNMSV-UHFFFAOYSA-N	N-(4-cyclopropylphenyl)prop-2-enamide
LDCM0245	AC127	43616260	N-(3-fluoro-4-methylphenyl)prop-2-enamide; 312752-91-3; SCHEMBL25297445; AKOS008137281; VS-0103; CS-0264914; EN300-95294; G59927; Z440633712	179.19	C10H10FNO	29.1	205	2.8	13	1	2	2	InChI=1S/C10H10FNO/c1-3-10(13)12-8-5-4-7(2)9(11)6-8/h3-6H,1H2,2H3,(H,12,13)	CC1=C(C=C(C=C1)NC(=O)C=C)F	CC1=C(C=C(C=C1)NC(=O)C=C)F	FHAMFCIQKOPBEN-UHFFFAOYSA-N	N-(3-fluoro-4-methylphenyl)prop-2-enamide
LDCM0246	AC128	127267427	N-[1-(1,3-OXAZOL-2-YL)-2-PHENYLETHYL]PROP-2-ENAMIDE; 2128725-12-0; AKOS030760853; N-(1-(Oxazol-2-yl)-2-phenylethyl)acrylamide; EN300-6699717; Z3071335104	242.27	C14H14N2O2	55.1	288	2.1	18	1	3	5	InChI=1S/C14H14N2O2/c1-2-13(17)16-12(14-15-8-9-18-14)10-11-6-4-3-5-7-11/h2-9,12H,1,10H2,(H,16,17)	C=CC(=O)NC(CC1=CC=CC=C1)C2=NC=CO2	C=CC(=O)NC(CC1=CC=CC=C1)C2=NC=CO2	QPPLZYVVURLEJW-UHFFFAOYSA-N	N-[1-(1,3-oxazol-2-yl)-2-phenylethyl]prop-2-enamide
LDCM0247	AC129	132317587	N-(2-methoxy-1,3-benzothiazol-6-yl)prop-2-enamide; 2196444-38-7; AKOS034007525; EN300-6702286; Z3488636947	234.28	C11H10N2O2S	79.5	285	2.9	16	1	4	3	InChI=1S/C11H10N2O2S/c1-3-10(14)12-7-4-5-8-9(6-7)16-11(13-8)15-2/h3-6H,1H2,2H3,(H,12,14)	COC1=NC2=C(S1)C=C(C=C2)NC(=O)C=C	COC1=NC2=C(S1)C=C(C=C2)NC(=O)C=C	BYEJSBJVYDIWAB-UHFFFAOYSA-N	N-(2-methoxy-1,3-benzothiazol-6-yl)prop-2-enamide
LDCM0248	AKOS034007472	132317533	AKOS034007472; EN300-7522356; Z3488637138; N-[(1-oxo-1,2,3,4-tetrahydroisoquinolin-7-yl)methyl]prop-2-enamide; 2195972-50-8	230.26	C13H14N2O2	58.2	327	0.9	17	2	2	3	InChI=1S/C13H14N2O2/c1-2-12(16)15-8-9-3-4-10-5-6-14-13(17)11(10)7-9/h2-4,7H,1,5-6,8H2,(H,14,17)(H,15,16)	C=CC(=O)NCC1=CC2=C(CCNC2=O)C=C1	C=CC(=O)NCC1=CC2=C(CCNC2=O)C=C1	GPDYSXAIORXKME-UHFFFAOYSA-N	N-[(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)methyl]prop-2-enamide
LDCM0249	AC130	121582282	N-[(2-methyl-4,5,6,7-tetrahydro-2H-indazol-3-yl)methyl]prop-2-enamide; 2094292-31-4; AKOS033850108; EN300-7522345; N-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]prop-2-enamide	219.28	C12H17N3O	46.9	279	1.2	16	1	2	3	InChI=1S/C12H17N3O/c1-3-12(16)13-8-11-9-6-4-5-7-10(9)14-15(11)2/h3H,1,4-8H2,2H3,(H,13,16)	CN1C(=C2CCCCC2=N1)CNC(=O)C=C	CN1C(=C2CCCCC2=N1)CNC(=O)C=C	YZWRPPWEHOPEIO-UHFFFAOYSA-N	N-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]prop-2-enamide
LDCM0250	AC131	132317713	1-[3-(3,4-Difluorophenyl)piperidin-1-yl]prop-2-en-1-one; 2176843-92-6; AKOS034007646; EN300-6702356; Z3488539824	251.27	C14H15F2NO	20.3	321	2.8	18	0	3	2	InChI=1S/C14H15F2NO/c1-2-14(18)17-7-3-4-11(9-17)10-5-6-12(15)13(16)8-10/h2,5-6,8,11H,1,3-4,7,9H2	C=CC(=O)N1CCCC(C1)C2=CC(=C(C=C2)F)F	C=CC(=O)N1CCCC(C1)C2=CC(=C(C=C2)F)F	GXVVOHVWYJKWFI-UHFFFAOYSA-N	1-[3-(3,4-difluorophenyl)piperidin-1-yl]prop-2-en-1-one
LDCM0251	AC132	43616566	N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide; 1156924-49-0; AKOS005897319; EN300-6636672	260.29	C14H16N2O3	58.6	370	1.1	19	1	3	4	InChI=1S/C14H16N2O3/c1-3-13(17)15-10-6-7-11(12(9-10)19-2)16-8-4-5-14(16)18/h3,6-7,9H,1,4-5,8H2,2H3,(H,15,17)	COC1=C(C=CC(=C1)NC(=O)C=C)N2CCCC2=O	COC1=C(C=CC(=C1)NC(=O)C=C)N2CCCC2=O	AUVUGFHFRMOSDM-UHFFFAOYSA-N	N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
LDCM0252	AC133	132317292	2190141-61-6; AKOS034007184; EN300-7522254; N-(Imidazo[1,2-a]pyridin-2-ylmethyl)prop-2-enamide; N-({imidazo[1,2-a]pyridin-2-yl}methyl)prop-2-enamide; Z3488536364	201.22	C11H11N3O	46.4	254	1.5	15	1	2	3	InChI=1S/C11H11N3O/c1-2-11(15)12-7-9-8-14-6-4-3-5-10(14)13-9/h2-6,8H,1,7H2,(H,12,15)	C=CC(=O)NCC1=CN2C=CC=CC2=N1	C=CC(=O)NCC1=CN2C=CC=CC2=N1	RWZDVGYPPCZVJO-UHFFFAOYSA-N	N-(imidazo[1,2-a]pyridin-2-ylmethyl)prop-2-enamide
LDCM0253	AC134	21462300	2176573-65-0; EN300-6702191; N-(1,2-Benzothiazol-3-ylmethyl)prop-2-enamide; N-[(1,2-benzothiazol-3-yl)methyl]prop-2-enamide; Z3488540935	218.28	C11H10N2OS	70.2	257	2.1	15	1	3	3	InChI=1S/C11H10N2OS/c1-2-11(14)12-7-9-8-5-3-4-6-10(8)15-13-9/h2-6H,1,7H2,(H,12,14)	C=CC(=O)NCC1=NSC2=CC=CC=C21	C=CC(=O)NCC1=NSC2=CC=CC=C21	WGWFYEHDFFHFRX-UHFFFAOYSA-N	N-(1,2-benzothiazol-3-ylmethyl)prop-2-enamide
LDCM0254	AC135	121582020	N-[2-(4-methyl-1,3-benzoxazol-2-yl)ethyl]prop-2-enamide; 2094286-76-5; AKOS033849884; EN300-6669992; Z2737383281	230.26	C13H14N2O2	55.1	293	2.3	17	1	3	4	InChI=1S/C13H14N2O2/c1-3-11(16)14-8-7-12-15-13-9(2)5-4-6-10(13)17-12/h3-6H,1,7-8H2,2H3,(H,14,16)	CC1=C2C(=CC=C1)OC(=N2)CCNC(=O)C=C	CC1=C2C(=CC=C1)OC(=N2)CCNC(=O)C=C	PPIFAGFDGZCHBR-UHFFFAOYSA-N	N-[2-(4-methyl-1,3-benzoxazol-2-yl)ethyl]prop-2-enamide
LDCM0255	AC136	132317409	2185980-75-8; AKOS034007323; EN300-6702167; 1-(3-Pyridin-2-ylpiperidin-1-yl)prop-2-en-1-one; 1-[3-(pyridin-2-yl)piperidin-1-yl]prop-2-en-1-one; Z2738283995	216.28	C13H16N2O	33.2	265	1.5	16	0	2	2	InChI=1S/C13H16N2O/c1-2-13(16)15-9-5-6-11(10-15)12-7-3-4-8-14-12/h2-4,7-8,11H,1,5-6,9-10H2	C=CC(=O)N1CCCC(C1)C2=CC=CC=N2	C=CC(=O)N1CCCC(C1)C2=CC=CC=N2	QVKZZZJTQWUNML-UHFFFAOYSA-N	1-(3-pyridin-2-ylpiperidin-1-yl)prop-2-en-1-one
LDCM0256	AC137	132306431	AKOS033679254; EN300-6636829; Z3488504637; N-[1-(3-chloro-4-fluorophenyl)-2-oxopyrrolidin-3-yl]prop-2-enamide; 2174151-65-4	282.7	C13H12ClFN2O2	49.4	391	2.1	19	1	3	3	InChI=1S/C13H12ClFN2O2/c1-2-12(18)16-11-5-6-17(13(11)19)8-3-4-10(15)9(14)7-8/h2-4,7,11H,1,5-6H2,(H,16,18)	C=CC(=O)NC1CCN(C1=O)C2=CC(=C(C=C2)F)Cl	C=CC(=O)NC1CCN(C1=O)C2=CC(=C(C=C2)F)Cl	UWVBVNAEYRGVFD-UHFFFAOYSA-N	N-[1-(3-chloro-4-fluorophenyl)-2-oxopyrrolidin-3-yl]prop-2-enamide
LDCM0257	AC138	122143970	N-({4-[(1H-pyrazol-1-yl)methyl]phenyl}methyl)prop-2-enamide; 2094328-39-7; AKOS033678779; EN300-6636683; N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]prop-2-enamide; Z2867480813	241.29	C14H15N3O	46.9	285	1.5	18	1	2	5	InChI=1S/C14H15N3O/c1-2-14(18)15-10-12-4-6-13(7-5-12)11-17-9-3-8-16-17/h2-9H,1,10-11H2,(H,15,18)	C=CC(=O)NCC1=CC=C(C=C1)CN2C=CC=N2	C=CC(=O)NCC1=CC=C(C=C1)CN2C=CC=N2	URLKRVJGNHXJLO-UHFFFAOYSA-N	N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]prop-2-enamide
LDCM0258	AC139	132326931	N-(1-Phenylpyrrolidin-3-yl)prop-2-enamide; 2179724-25-3; AKOS033934825; EN300-7531986; Z3488529535	216.28	C13H16N2O	32.299	259	2.1	16	1	2	3	InChI=1S/C13H16N2O/c1-2-13(16)14-11-8-9-15(10-11)12-6-4-3-5-7-12/h2-7,11H,1,8-10H2,(H,14,16)	C=CC(=O)NC1CCN(C1)C2=CC=CC=C2	C=CC(=O)NC1CCN(C1)C2=CC=CC=C2	PGJQDJCCVFTOHK-UHFFFAOYSA-N	N-(1-phenylpyrrolidin-3-yl)prop-2-enamide
LDCM0259	AC14	132317327	2189894-71-9; AKOS034007219; EN300-6702119; Z3488538245; N-[(4-Cyclopropyl-2-methylpyrazol-3-yl)methyl]prop-2-enamide; N-[(4-cyclopropyl-1-methyl-1H-pyrazol-5-yl)methyl]prop-2-enamide	205.26	C11H15N3O	46.9	263	0.9	15	1	2	4	InChI=1S/C11H15N3O/c1-3-11(15)12-7-10-9(8-4-5-8)6-13-14(10)2/h3,6,8H,1,4-5,7H2,2H3,(H,12,15)	CN1C(=C(C=N1)C2CC2)CNC(=O)C=C	CN1C(=C(C=N1)C2CC2)CNC(=O)C=C	RRGMKEVSYWFXDN-UHFFFAOYSA-N	N-[(4-cyclopropyl-2-methylpyrazol-3-yl)methyl]prop-2-enamide
LDCM0260	AC140	121582214	N-{[5-(3-fluoropyridin-4-yl)-1,3,4-thiadiazol-2-yl]methyl}prop-2-enamide; 2094679-46-4; N-[[5-(3-fluoropyridin-4-yl)-1,3,4-thiadiazol-2-yl]methyl]prop-2-enamide; AKOS033850048; EN300-6670055; Z2737383479	264.28	C11H9FN4OS	96	317	0.8	18	1	6	4	InChI=1S/C11H9FN4OS/c1-2-9(17)14-6-10-15-16-11(18-10)7-3-4-13-5-8(7)12/h2-5H,1,6H2,(H,14,17)	C=CC(=O)NCC1=NN=C(S1)C2=C(C=NC=C2)F	C=CC(=O)NCC1=NN=C(S1)C2=C(C=NC=C2)F	CWMMOESDPOYQAQ-UHFFFAOYSA-N	N-[[5-(3-fluoropyridin-4-yl)-1,3,4-thiadiazol-2-yl]methyl]prop-2-enamide
LDCM0261	AC141	132317207	EN300-7522399; Z3488538545; 1-{5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}prop-2-en-1-one; 2176573-02-5	174.2	C10H10N2O	33.2	227	0.3	13	0	2	1	InChI=1S/C10H10N2O/c1-2-10(13)12-6-8-4-3-5-11-9(8)7-12/h2-5H,1,6-7H2	C=CC(=O)N1CC2=C(C1)N=CC=C2	C=CC(=O)N1CC2=C(C1)N=CC=C2	FQWRPMLMAMFIII-UHFFFAOYSA-N	1-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)prop-2-en-1-one
LDCM0262	AC142	126816819	1-[4-(3-phenoxypropanoyl)piperazin-1-yl]prop-2-en-1-one; 2094347-78-9; AKOS033934753; EN300-6688998; Z2867514940; 3-phenoxy-1-(4-prop-2-enoylpiperazin-1-yl)propan-1-one	288.34	C16H20N2O3	49.8	370	1.2	21	0	3	5	InChI=1S/C16H20N2O3/c1-2-15(19)17-9-11-18(12-10-17)16(20)8-13-21-14-6-4-3-5-7-14/h2-7H,1,8-13H2	C=CC(=O)N1CCN(CC1)C(=O)CCOC2=CC=CC=C2	C=CC(=O)N1CCN(CC1)C(=O)CCOC2=CC=CC=C2	PKQSHDJAFDAXFB-UHFFFAOYSA-N	3-phenoxy-1-(4-prop-2-enoylpiperazin-1-yl)propan-1-one
LDCM0263	AC143	121582260	N-[(2S,3R)-2-tert-butyl-6-oxopiperidin-3-yl]prop-2-enamide; 2093989-36-5; AKOS034810848; EN300-7522053; Z2737383525	224.3	C12H20N2O2	58.2	305	1.4	16	2	2	3	InChI=1S/C12H20N2O2/c1-5-9(15)13-8-6-7-10(16)14-11(8)12(2,3)4/h5,8,11H,1,6-7H2,2-4H3,(H,13,15)(H,14,16)/t8-,11-/m1/s1	CC(C)(C)[C@H]1[C@@H](CCC(=O)N1)NC(=O)C=C	CC(C)(C)C1C(CCC(=O)N1)NC(=O)C=C	HERSNSNOLHDTQT-LDYMZIIASA-N	N-[(2S,3R)-2-tert-butyl-6-oxopiperidin-3-yl]prop-2-enamide
LDCM0264	AC144	43616553	N-(3,4-dihydro-2H-1-benzopyran-4-yl)prop-2-enamide; 1156923-65-7; N-(3,4-dihydro-2H-chromen-4-yl)prop-2-enamide; N-(Chroman-4-yl)acrylamide; AKOS009808301; EN300-5073281; F6537-3008; Z1937763618	203.24	C12H13NO2	38.3	252	1.8	15	1	2	2	InChI=1S/C12H13NO2/c1-2-12(14)13-10-7-8-15-11-6-4-3-5-9(10)11/h2-6,10H,1,7-8H2,(H,13,14)	C=CC(=O)NC1CCOC2=CC=CC=C12	C=CC(=O)NC1CCOC2=CC=CC=C12	BBDMFYXYYWRNGE-UHFFFAOYSA-N	N-(3,4-dihydro-2H-chromen-4-yl)prop-2-enamide
LDCM0265	AC145	126831909	1-{1-methyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-5-yl}prop-2-en-1-one; 2094346-16-2; SCHEMBL26502207; AKOS034000067; EN300-6699698; Z2867529650; 1-(1-Methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5(1H)-yl)prop-2-en-1-one	177.2	C9H11N3O	38.1	241	-0.3	13	0	2	1	InChI=1S/C9H11N3O/c1-3-9(13)12-5-7-4-10-11(2)8(7)6-12/h3-4H,1,5-6H2,2H3	CN1C2=C(CN(C2)C(=O)C=C)C=N1	CN1C2=C(CN(C2)C(=O)C=C)C=N1	BLPWTKNHVXNSEE-UHFFFAOYSA-N	1-(1-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)prop-2-en-1-one
LDCM0266	AC146	126814851	N-{[4-(3-cyanophenyl)-1H-imidazol-2-yl]methyl}prop-2-enamide; 2094324-25-9; AKOS033849917; EN300-7522056; Z2867513108; N-[[5-(3-cyanophenyl)-1H-imidazol-2-yl]methyl]prop-2-enamide	252.27	C14H12N4O	81.6	386	1.2	19	2	3	4	InChI=1S/C14H12N4O/c1-2-14(19)17-9-13-16-8-12(18-13)11-5-3-4-10(6-11)7-15/h2-6,8H,1,9H2,(H,16,18)(H,17,19)	C=CC(=O)NCC1=NC=C(N1)C2=CC=CC(=C2)C#N	C=CC(=O)NCC1=NC=C(N1)C2=CC=CC(=C2)C#N	APJRYTWXXPZDNJ-UHFFFAOYSA-N	N-[[5-(3-cyanophenyl)-1H-imidazol-2-yl]methyl]prop-2-enamide
LDCM0267	AC147	61251750	1250911-84-2; N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)prop-2-enamide; AKOS010502333; EN300-5108522; Z799942092; N-([1,2,4]Triazolo[4,3-a]pyridin-3-ylmethyl)acrylamide; N-({[1,2,4]triazolo[4,3-a]pyridin-3-yl}methyl)prop-2-enamide	202.21	C10H10N4O	59.3	256	0.9	15	1	3	3	InChI=1S/C10H10N4O/c1-2-10(15)11-7-9-13-12-8-5-3-4-6-14(8)9/h2-6H,1,7H2,(H,11,15)	C=CC(=O)NCC1=NN=C2N1C=CC=C2	C=CC(=O)NCC1=NN=C2N1C=CC=C2	LAZODBBTIGQCJV-UHFFFAOYSA-N	N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)prop-2-enamide
LDCM0268	AC148	121582040	N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]prop-2-enamide; 2094684-96-3; AKOS033849898; EN300-26592167; Z2737383302	257.29	C14H15N3O2	68	316	2.2	19	1	4	5	InChI=1S/C14H15N3O2/c1-3-13(18)15-10(2)14-16-12(17-19-14)9-11-7-5-4-6-8-11/h3-8,10H,1,9H2,2H3,(H,15,18)	CC(C1=NC(=NO1)CC2=CC=CC=C2)NC(=O)C=C	CC(C1=NC(=NO1)CC2=CC=CC=C2)NC(=O)C=C	HWLJXHUYSNEOMV-UHFFFAOYSA-N	N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]prop-2-enamide
LDCM0269	AC149	132317247	2185980-35-0; 1-(3-(Methylsulfonyl)azetidin-1-yl)prop-2-en-1-one; AKOS034007124; EN300-4061832; 1-(3-methanesulfonylazetidin-1-yl)prop-2-en-1-one; 1-(3-Methylsulfonylazetidin-1-yl)prop-2-en-1-one; Z3148939275	189.23	C7H11NO3S	62.8	295	-0.5	12	0	3	2	InChI=1S/C7H11NO3S/c1-3-7(9)8-4-6(5-8)12(2,10)11/h3,6H,1,4-5H2,2H3	CS(=O)(=O)C1CN(C1)C(=O)C=C	CS(=O)(=O)C1CN(C1)C(=O)C=C	OYDXKDGNTPWWAJ-UHFFFAOYSA-N	1-(3-methylsulfonylazetidin-1-yl)prop-2-en-1-one
LDCM0270	AC15	132317754	2188733-98-2; AKOS034007682; EN300-6702377; Z2738286711; 1-{3,4-dihydrospiro[2-benzopyran-1,4'-piperidine]-1'-yl}prop-2-en-1-one; 1-Spiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-ylprop-2-en-1-one	257.329	C16H19NO2	29.5	358	2	19	0	2	1	InChI=1S/C16H19NO2/c1-2-15(18)17-10-8-16(9-11-17)14-6-4-3-5-13(14)7-12-19-16/h2-6H,1,7-12H2	C=CC(=O)N1CCC2(CC1)C3=CC=CC=C3CCO2	C=CC(=O)N1CCC2(CC1)C3=CC=CC=C3CCO2	IOAXYCRJPNJUEN-UHFFFAOYSA-N	1-spiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-ylprop-2-en-1-one
LDCM0271	AC150	121569090	AKOS033678711; Z2737376521	211.3	C12H21NO2	49.3	218	2.7	15	2	2	3	InChI=1S/C12H21NO2/c1-10(9-14)12(15)13-11-7-5-3-2-4-6-8-11/h11,14H,1-9H2,(H,13,15)	C=C(CO)C(=O)NC1CCCCCCC1	C=C(CO)C(=O)NC1CCCCCCC1	CFAOFLTYMDRDOR-UHFFFAOYSA-N	N-cyclooctyl-2-(hydroxymethyl)prop-2-enamide
LDCM0272	AC151	121569191	N-[2-(6-fluoro-1-methyl-1H-1,3-benzodiazol-2-yl)ethyl]prop-2-enamide; 2094710-72-0; AKOS033678992; EN300-6636754; Z2737376643; N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]prop-2-enamide	247.27	C13H14FN3O	46.9	323	1.7	18	1	3	4	InChI=1S/C13H14FN3O/c1-3-13(18)15-7-6-12-16-10-5-4-9(14)8-11(10)17(12)2/h3-5,8H,1,6-7H2,2H3,(H,15,18)	CN1C2=C(C=CC(=C2)F)N=C1CCNC(=O)C=C	CN1C2=C(C=CC(=C2)F)N=C1CCNC(=O)C=C	GRTBDQGECAJAOS-UHFFFAOYSA-N	N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]prop-2-enamide
LDCM0273	AC152	132306357	2176544-57-1; 1-(Acrylamidomethyl)cyclopentane-1-carboxamide; AKOS033679030; EN300-6636766; 1-[(prop-2-enamido)methyl]cyclopentane-1-carboxamide; 1-[(Prop-2-enoylamino)methyl]cyclopentane-1-carboxamide; Z3488504547	196.25	C10H16N2O2	72.2	255	0.4	14	2	2	4	InChI=1S/C10H16N2O2/c1-2-8(13)12-7-10(9(11)14)5-3-4-6-10/h2H,1,3-7H2,(H2,11,14)(H,12,13)	C=CC(=O)NCC1(CCCC1)C(=O)N	C=CC(=O)NCC1(CCCC1)C(=O)N	JEUIZUFKPVISBJ-UHFFFAOYSA-N	1-[(prop-2-enoylamino)methyl]cyclopentane-1-carboxamide
LDCM0274	AC153	132317487	2187469-58-3; 1-[2-(1H-1,2,3-Triazol-1-ylmethyl)-4-morpholinyl]-2-propen-1-one; AKOS034007414; EN300-6702221; Z3488539023; 1-{2-[(1H-1,2,3-triazol-1-yl)methyl]morpholin-4-yl}prop-2-en-1-one	222.24	C10H14N4O2	60.2	272	-0.6	16	0	4	3	InChI=1S/C10H14N4O2/c1-2-10(15)13-5-6-16-9(7-13)8-14-4-3-11-12-14/h2-4,9H,1,5-8H2	C=CC(=O)N1CCOC(C1)CN2C=CN=N2	C=CC(=O)N1CCOC(C1)CN2C=CN=N2	UHGWZZIFNDKOCL-UHFFFAOYSA-N	1-[2-(triazol-1-ylmethyl)morpholin-4-yl]prop-2-en-1-one
LDCM0275	AKOS034007705	132317779	AKOS034007705; EN300-6702391; Z3488538866; N-(4-acetyl-3,4-dihydro-2H-1,4-benzothiazin-6-yl)prop-2-enamide; 2196447-97-7	262.33	C13H14N2O2S	74.7	359	1.3	18	1	3	2	InChI=1S/C13H14N2O2S/c1-3-13(17)14-10-4-5-12-11(8-10)15(9(2)16)6-7-18-12/h3-5,8H,1,6-7H2,2H3,(H,14,17)	CC(=O)N1CCSC2=C1C=C(C=C2)NC(=O)C=C	CC(=O)N1CCSC2=C1C=C(C=C2)NC(=O)C=C	BSUYJQVUMFFGSP-UHFFFAOYSA-N	N-(4-acetyl-2,3-dihydro-1,4-benzothiazin-6-yl)prop-2-enamide
LDCM0276	AC17	132317513	2185981-33-1; N-[[3-(1,3-Oxazol-5-yl)phenyl]methyl]prop-2-enamide; N-{[3-(1,3-oxazol-5-yl)phenyl]methyl}prop-2-enamide; AKOS034007453; EN300-7522333; Z3488540781	228.25	C13H12N2O2	55.1	281	1.7	17	1	3	4	InChI=1S/C13H12N2O2/c1-2-13(16)15-7-10-4-3-5-11(6-10)12-8-14-9-17-12/h2-6,8-9H,1,7H2,(H,15,16)	C=CC(=O)NCC1=CC(=CC=C1)C2=CN=CO2	C=CC(=O)NCC1=CC(=CC=C1)C2=CN=CO2	UHANOXNLQPISNN-UHFFFAOYSA-N	N-[[3-(1,3-oxazol-5-yl)phenyl]methyl]prop-2-enamide
LDCM0277	AC18	132317329	2194024-48-9; N-(2,3-Dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)prop-2-enamide; EN300-6702122; Z3488538391; N-(2,3-Dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)acrylamide; N-{2H,3H-[1,4]dioxino[2,3-b]pyridin-6-yl}prop-2-enamide	206.2	C10H10N2O3	60.4	257	1	15	1	4	2	InChI=1S/C10H10N2O3/c1-2-9(13)11-8-4-3-7-10(12-8)15-6-5-14-7/h2-4H,1,5-6H2,(H,11,12,13)	C=CC(=O)NC1=NC2=C(C=C1)OCCO2	C=CC(=O)NC1=NC2=C(C=C1)OCCO2	NYTZTMFRLVIWFW-UHFFFAOYSA-N	N-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)prop-2-enamide
LDCM0278	AC19	132317461	2187469-51-6; AKOS034007384; EN300-7522267; 1-[4-(Triazol-1-yl)azepan-1-yl]prop-2-en-1-one; Z3488539661; 1-[4-(1H-1,2,3-triazol-1-yl)azepan-1-yl]prop-2-en-1-one	220.27	C11H16N4O	51	269	0.6	16	0	3	2	InChI=1S/C11H16N4O/c1-2-11(16)14-7-3-4-10(5-8-14)15-9-6-12-13-15/h2,6,9-10H,1,3-5,7-8H2	C=CC(=O)N1CCCC(CC1)N2C=CN=N2	C=CC(=O)N1CCCC(CC1)N2C=CN=N2	CCOOJVPQUQHWCG-UHFFFAOYSA-N	1-[4-(triazol-1-yl)azepan-1-yl]prop-2-en-1-one
LDCM0279	AC2	121582200	N-{[2-(morpholin-4-yl)-1,3-thiazol-5-yl]methyl}prop-2-enamide; 2094339-52-1; AKOS033850040; EN300-6670053; N-((2-Morpholinothiazol-5-yl)methyl)acrylamide; Z2737383465; N-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]prop-2-enamide	253.32	C11H15N3O2S	82.7	282	0.8	17	1	5	4	InChI=1S/C11H15N3O2S/c1-2-10(15)12-7-9-8-13-11(17-9)14-3-5-16-6-4-14/h2,8H,1,3-7H2,(H,12,15)	C=CC(=O)NCC1=CN=C(S1)N2CCOCC2	C=CC(=O)NCC1=CN=C(S1)N2CCOCC2	CRIRESKOBOKCML-UHFFFAOYSA-N	N-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]prop-2-enamide
LDCM0280	AC20	121582232	N-[2-(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)ethyl]prop-2-enamide; 2094447-43-3; AKOS033850063; EN300-7521818; N-[2-(1-phenyltetrazol-5-yl)ethyl]prop-2-enamide; Z2737383496	243.26	C12H13N5O	72.7	290	1.4	18	1	4	5	InChI=1S/C12H13N5O/c1-2-12(18)13-9-8-11-14-15-16-17(11)10-6-4-3-5-7-10/h2-7H,1,8-9H2,(H,13,18)	C=CC(=O)NCCC1=NN=NN1C2=CC=CC=C2	C=CC(=O)NCCC1=NN=NN1C2=CC=CC=C2	BESIYJBDZJUZNY-UHFFFAOYSA-N	N-[2-(1-phenyltetrazol-5-yl)ethyl]prop-2-enamide
LDCM0281	AC21	121581988	AKOS033849858; EN300-6669982; Z2737383249; N-{[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl}prop-2-enamide; 2094842-31-4	263.68	C12H10ClN3O2	68	306	1.8	18	1	4	4	InChI=1S/C12H10ClN3O2/c1-2-10(17)14-7-11-15-16-12(18-11)8-3-5-9(13)6-4-8/h2-6H,1,7H2,(H,14,17)	C=CC(=O)NCC1=NN=C(O1)C2=CC=C(C=C2)Cl	C=CC(=O)NCC1=NN=C(O1)C2=CC=C(C=C2)Cl	KWCVMQWSYJTHDC-UHFFFAOYSA-N	N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]prop-2-enamide
LDCM0282	AC22	132326857	2179723-96-5; AKOS033934720; EN300-6688983; Z3488585487; N-(8-Fluoro-3,4-dihydro-2H-chromen-4-yl)prop-2-enamide; N-(8-fluoro-3,4-dihydro-2H-1-benzopyran-4-yl)prop-2-enamide	221.23	C12H12FNO2	38.3	282	1.9	16	1	3	2	InChI=1S/C12H12FNO2/c1-2-11(15)14-10-6-7-16-12-8(10)4-3-5-9(12)13/h2-5,10H,1,6-7H2,(H,14,15)	C=CC(=O)NC1CCOC2=C1C=CC=C2F	C=CC(=O)NC1CCOC2=C1C=CC=C2F	NQPREMQSSBFTBO-UHFFFAOYSA-N	N-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)prop-2-enamide
LDCM0283	AC23	4877041	EN450; 793719-01-4; N-[2-chloro-5-(dimethylsulfamoyl)phenyl]prop-2-enamide; N-(2-Chloro-5-(N,N-dimethylsulfamoyl)phenyl)acrylamide; starbld0003560; EX-A7945F; GTPL12636; GLXC-27517; EN-450; AKOS008967683; HY-49444; CS-0783610; G76756; EN300-7515212; Z57043669; N-[2-Chloro-5-[(dimethylamino)sulfonyl]phenyl]-2-propenamide	288.75	C11H13ClN2O3S	74.9	417	1.3	18	1	4	4	InChI=1S/C11H13ClN2O3S/c1-4-11(15)13-10-7-8(5-6-9(10)12)18(16,17)14(2)3/h4-7H,1H2,2-3H3,(H,13,15)	CN(C)S(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)C=C	CN(C)S(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)C=C	OXFXDOLAQBMOPH-UHFFFAOYSA-N	N-[2-chloro-5-(dimethylsulfamoyl)phenyl]prop-2-enamide
LDCM0284	AC24	106415422	1702753-74-9; AKOS034052605; N-(1,2-Oxazol-5-ylmethyl)prop-2-enamide; N-[(1,2-oxazol-5-yl)methyl]prop-2-enamide; EN300-2921913; Z1971800519	152.15	C7H8N2O2	55.1	159	0.1	11	1	3	3	InChI=1S/C7H8N2O2/c1-2-7(10)8-5-6-3-4-9-11-6/h2-4H,1,5H2,(H,8,10)	C=CC(=O)NCC1=CC=NO1	C=CC(=O)NCC1=CC=NO1	KXOWODNYUXEUCR-UHFFFAOYSA-N	N-(1,2-oxazol-5-ylmethyl)prop-2-enamide
LDCM0285	AC25	132317391	C(C=C)(=O)NCC1=NN(C2=CC=CC=C12)C; N-[(1-methylindazol-3-yl)methyl]prop-2-enamide; 2196015-38-8; CHEMBL5183409; SCHEMBL25747717; AKOS034007295; EN300-6702154; N-[(1-methyl-1H-indazol-3-yl)methyl]prop-2-enamide; Z3488539333	215.25	C12H13N3O	46.9	279	1.3	16	1	2	3	InChI=1S/C12H13N3O/c1-3-12(16)13-8-10-9-6-4-5-7-11(9)15(2)14-10/h3-7H,1,8H2,2H3,(H,13,16)	CN1C2=CC=CC=C2C(=N1)CNC(=O)C=C	CN1C2=CC=CC=C2C(=N1)CNC(=O)C=C	KLNGWAQIUXPPOF-UHFFFAOYSA-N	N-[(1-methylindazol-3-yl)methyl]prop-2-enamide
LDCM0286	AC26	126814988	N-{1-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]cyclobutyl}prop-2-enamide; 2094450-45-8; N-[1-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]prop-2-enamide; AKOS033850110; EN300-6670082; Z2867513234	243.21	C10H11F2N3O2	68	321	1.2	17	1	6	4	InChI=1S/C10H11F2N3O2/c1-2-6(16)14-10(4-3-5-10)9-13-8(7(11)12)17-15-9/h2,7H,1,3-5H2,(H,14,16)	C=CC(=O)NC1(CCC1)C2=NOC(=N2)C(F)F	C=CC(=O)NC1(CCC1)C2=NOC(=N2)C(F)F	COZVCRCCXUWISX-UHFFFAOYSA-N	N-[1-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]prop-2-enamide
LDCM0287	AC27	127267417	N-[(4-METHYLQUINAZOLIN-2-YL)METHYL]PROP-2-ENAMIDE; 2128688-83-3; AKOS030760843; EN300-6699689; Z3071335095	227.26	C13H13N3O	54.9	292	1.7	17	1	3	3	InChI=1S/C13H13N3O/c1-3-13(17)14-8-12-15-9(2)10-6-4-5-7-11(10)16-12/h3-7H,1,8H2,2H3,(H,14,17)	CC1=NC(=NC2=CC=CC=C12)CNC(=O)C=C	CC1=NC(=NC2=CC=CC=C12)CNC(=O)C=C	AKSYWNFKNXFKLT-UHFFFAOYSA-N	N-[(4-methylquinazolin-2-yl)methyl]prop-2-enamide
LDCM0288	AC28	132317617	EN300-6702302; N-[1-(difluoromethyl)-1H-indazol-5-yl]prop-2-enamide; Z3488539664; 2196445-18-6	237.21	C11H9F2N3O	46.9	311	2.2	17	1	4	3	InChI=1S/C11H9F2N3O/c1-2-10(17)15-8-3-4-9-7(5-8)6-14-16(9)11(12)13/h2-6,11H,1H2,(H,15,17)	C=CC(=O)NC1=CC2=C(C=C1)N(N=C2)C(F)F	C=CC(=O)NC1=CC2=C(C=C1)N(N=C2)C(F)F	QFUFJNCMJZNCKW-UHFFFAOYSA-N	N-[1-(difluoromethyl)indazol-5-yl]prop-2-enamide
LDCM0289	AC29	132327091	2175582-97-3; AKOS033935071; EN300-6689164; Z3488584795; N-(2-Morpholin-4-yl-1,3-benzoxazol-6-yl)prop-2-enamide; N-[2-(morpholin-4-yl)-1,3-benzoxazol-6-yl]prop-2-enamide	273.29	C14H15N3O3	67.6	371	1.6	20	1	5	3	InChI=1S/C14H15N3O3/c1-2-13(18)15-10-3-4-11-12(9-10)20-14(16-11)17-5-7-19-8-6-17/h2-4,9H,1,5-8H2,(H,15,18)	C=CC(=O)NC1=CC2=C(C=C1)N=C(O2)N3CCOCC3	C=CC(=O)NC1=CC2=C(C=C1)N=C(O2)N3CCOCC3	ZDSYPQCZLFCLGZ-UHFFFAOYSA-N	N-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)prop-2-enamide
LDCM0290	AC3	121582071	N-[1-(3-methyl-1-phenyl-1H-pyrazol-5-yl)propan-2-yl]prop-2-enamide; 2094685-20-6; N-[1-(5-methyl-2-phenylpyrazol-3-yl)propan-2-yl]prop-2-enamide; AKOS033849927; EN300-7522247; Z2737383333	269.34	C16H19N3O	46.9	339	2.9	20	1	2	5	InChI=1S/C16H19N3O/c1-4-16(20)17-12(2)10-15-11-13(3)18-19(15)14-8-6-5-7-9-14/h4-9,11-12H,1,10H2,2-3H3,(H,17,20)	CC1=NN(C(=C1)CC(C)NC(=O)C=C)C2=CC=CC=C2	CC1=NN(C(=C1)CC(C)NC(=O)C=C)C2=CC=CC=C2	HUHQPOSWTHBYRA-UHFFFAOYSA-N	N-[1-(5-methyl-2-phenylpyrazol-3-yl)propan-2-yl]prop-2-enamide
LDCM0291	AC30	62092726	N-(2-oxopiperidin-3-yl)prop-2-enamide; 1249044-96-9; AKOS011371981; EN300-3003509; Z954636734	168.19	C8H12N2O2	58.2	213	0	12	2	2	2	InChI=1S/C8H12N2O2/c1-2-7(11)10-6-4-3-5-9-8(6)12/h2,6H,1,3-5H2,(H,9,12)(H,10,11)	C=CC(=O)NC1CCCNC1=O	C=CC(=O)NC1CCCNC1=O	YSFIYOWZDQPVLV-UHFFFAOYSA-N	N-(2-oxopiperidin-3-yl)prop-2-enamide
LDCM0292	AC31	132327096	AKOS033935076; EN300-6689166; N-{3',4'-dihydro-2'H-spiro[cyclopropane-1,1'-naphthalene]-3-yl}prop-2-enamide; 2175583-25-0	227.3	C15H17NO	29.1	338	3	17	1	1	2	InChI=1S/C15H17NO/c1-2-14(17)16-13-10-15(13)9-5-7-11-6-3-4-8-12(11)15/h2-4,6,8,13H,1,5,7,9-10H2,(H,16,17)	C=CC(=O)NC1CC12CCCC3=CC=CC=C23	C=CC(=O)NC1CC12CCCC3=CC=CC=C23	WXUPSFZUUJSXCK-UHFFFAOYSA-N	N-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylprop-2-enamide
LDCM0293	AC32	132306370	N-(2-Oxo-1-phenylpyrrolidin-3-yl)prop-2-enamide; 2174151-63-2; AKOS033678994; EN300-26582160; Z3488493513	230.26	C13H14N2O2	49.4	321	1.4	17	1	2	3	InChI=1S/C13H14N2O2/c1-2-12(16)14-11-8-9-15(13(11)17)10-6-4-3-5-7-10/h2-7,11H,1,8-9H2,(H,14,16)	C=CC(=O)NC1CCN(C1=O)C2=CC=CC=C2	C=CC(=O)NC1CCN(C1=O)C2=CC=CC=C2	CXTNZZWHYUVHDT-UHFFFAOYSA-N	N-(2-oxo-1-phenylpyrrolidin-3-yl)prop-2-enamide
LDCM0294	AC33	121569233	N-{1-[3-(pyrrolidin-1-yl)phenyl]ethyl}prop-2-enamide; 2094647-96-6; AKOS033679154; EN300-6636806; N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]prop-2-enamide; Z2737376680	244.33	C15H20N2O	32.299	297	2.6	18	1	2	4	InChI=1S/C15H20N2O/c1-3-15(18)16-12(2)13-7-6-8-14(11-13)17-9-4-5-10-17/h3,6-8,11-12H,1,4-5,9-10H2,2H3,(H,16,18)	CC(C1=CC(=CC=C1)N2CCCC2)NC(=O)C=C	CC(C1=CC(=CC=C1)N2CCCC2)NC(=O)C=C	MWRIRNAUYSGHRK-UHFFFAOYSA-N	N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]prop-2-enamide
LDCM0295	AC34	132306316	2188360-00-9; N-[(1-Thiomorpholin-4-ylcyclopentyl)methyl]prop-2-enamide; AKOS033678808; EN300-6636693; Z3488504294; N-{[1-(thiomorpholin-4-yl)cyclopentyl]methyl}prop-2-enamide	254.39	C13H22N2OS	57.6	281	1.7	17	1	3	4	InChI=1S/C13H22N2OS/c1-2-12(16)14-11-13(5-3-4-6-13)15-7-9-17-10-8-15/h2H,1,3-11H2,(H,14,16)	C=CC(=O)NCC1(CCCC1)N2CCSCC2	C=CC(=O)NCC1(CCCC1)N2CCSCC2	WZBYUGHMLZJBCG-UHFFFAOYSA-N	N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]prop-2-enamide
LDCM0296	AC35	132327064	2196079-58-8; N-[(1,1-dioxo-2,3-dihydro-1lambda6-benzothiophen-5-yl)methyl]prop-2-enamide; AKOS033935028; EN300-6689143; Z3488532305; N-[(1,1-Dioxo-2,3-dihydro-1-benzothiophen-5-yl)methyl]prop-2-enamide	251.3	C12H13NO3S	71.6	410	0.9	17	1	3	3	InChI=1S/C12H13NO3S/c1-2-12(14)13-8-9-3-4-11-10(7-9)5-6-17(11,15)16/h2-4,7H,1,5-6,8H2,(H,13,14)	C=CC(=O)NCC1=CC2=C(C=C1)S(=O)(=O)CC2	C=CC(=O)NCC1=CC2=C(C=C1)S(=O)(=O)CC2	KPLYUKXINWVRSN-UHFFFAOYSA-N	N-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-5-yl)methyl]prop-2-enamide
LDCM0297	AC36	137948981	N-(1-Benzyl-2-oxopyrrolidin-3-yl)prop-2-enamide; 2174410-84-3; EN300-7531983; Z3326590131	244.29	C14H16N2O2	49.4	335	1.3	18	1	2	4	InChI=1S/C14H16N2O2/c1-2-13(17)15-12-8-9-16(14(12)18)10-11-6-4-3-5-7-11/h2-7,12H,1,8-10H2,(H,15,17)	C=CC(=O)NC1CCN(C1=O)CC2=CC=CC=C2	C=CC(=O)NC1CCN(C1=O)CC2=CC=CC=C2	GPYZGFZAMMRICQ-UHFFFAOYSA-N	N-(1-benzyl-2-oxopyrrolidin-3-yl)prop-2-enamide
LDCM0298	AC37	121569159	N-{1,4-dioxaspiro[4.5]decan-8-yl}prop-2-enamide; 2094325-03-6; N-(1,4-dioxaspiro[4.5]decan-8-yl)prop-2-enamide; EN300-3566008; Z2650769429	211.26	C11H17NO3	47.6	249	0.9	15	1	3	2	InChI=1S/C11H17NO3/c1-2-10(13)12-9-3-5-11(6-4-9)14-7-8-15-11/h2,9H,1,3-8H2,(H,12,13)	C=CC(=O)NC1CCC2(CC1)OCCO2	C=CC(=O)NC1CCC2(CC1)OCCO2	IYLHQDWTTBPHOX-UHFFFAOYSA-N	N-(1,4-dioxaspiro[4.5]decan-8-yl)prop-2-enamide
LDCM0299	AC38	126818468	N-[(1-benzofuran-3-yl)methyl]prop-2-enamide; 2094902-83-5; AKOS034007181; N-(1-benzofuran-3-ylmethyl)prop-2-enamide; EN300-26578076; Z2867516508	201.22	C12H11NO2	42.2	252	2	15	1	2	3	InChI=1S/C12H11NO2/c1-2-12(14)13-7-9-8-15-11-6-4-3-5-10(9)11/h2-6,8H,1,7H2,(H,13,14)	C=CC(=O)NCC1=COC2=CC=CC=C21	C=CC(=O)NCC1=COC2=CC=CC=C21	JBYOVDKCMZOCEC-UHFFFAOYSA-N	N-(1-benzofuran-3-ylmethyl)prop-2-enamide
LDCM0300	AC39	132317335	2190141-77-4; 1-[3-(Triazol-1-yl)piperidin-1-yl]prop-2-en-1-one; 1-(3-(1H-1,2,3-Triazol-1-yl)piperidin-1-yl)prop-2-en-1-one; 1-[3-(1H-1,2,3-triazol-1-yl)piperidin-1-yl]prop-2-en-1-one; AKOS034007228; EN300-6702124; Z3488536365	206.24	C10H14N4O	51	256	0.2	15	0	3	2	InChI=1S/C10H14N4O/c1-2-10(15)13-6-3-4-9(8-13)14-7-5-11-12-14/h2,5,7,9H,1,3-4,6,8H2	C=CC(=O)N1CCCC(C1)N2C=CN=N2	C=CC(=O)N1CCCC(C1)N2C=CN=N2	XLHAJNMHNAHFBS-UHFFFAOYSA-N	1-[3-(triazol-1-yl)piperidin-1-yl]prop-2-en-1-one
LDCM0301	AC4	121582148	EN300-7522412; Z2737383413; N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]prop-2-enamide; 2094198-55-5	193.2	C9H11N3O2	68	240	0.1	14	1	4	4	InChI=1S/C9H11N3O2/c1-2-7(13)10-5-8-11-12-9(14-8)6-3-4-6/h2,6H,1,3-5H2,(H,10,13)	C=CC(=O)NCC1=NN=C(O1)C2CC2	C=CC(=O)NCC1=NN=C(O1)C2CC2	OTKKJEKSOMKFEY-UHFFFAOYSA-N	N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]prop-2-enamide
LDCM0302	AC40	132317346	2189894-89-9; AKOS034007243; EN300-6702131; 1-(4-Chloro-1,3-dihydroisoindol-2-yl)prop-2-en-1-one; Z3488536995; 1-(4-chloro-2,3-dihydro-1H-isoindol-2-yl)prop-2-en-1-one	207.65	C11H10ClNO	20.3	254	2	14	0	1	1	InChI=1S/C11H10ClNO/c1-2-11(14)13-6-8-4-3-5-10(12)9(8)7-13/h2-5H,1,6-7H2	C=CC(=O)N1CC2=C(C1)C(=CC=C2)Cl	C=CC(=O)N1CC2=C(C1)C(=CC=C2)Cl	HQTGMDRZMSDEQQ-UHFFFAOYSA-N	1-(4-chloro-1,3-dihydroisoindol-2-yl)prop-2-en-1-one
LDCM0303	AC41	126811653	N-cyclohexyl-4-(prop-2-enoyl)piperazine-1-carboxamide; 2094863-30-4; AKOS033678781; EN300-6636684; N-cyclohexyl-4-prop-2-enoylpiperazine-1-carboxamide; Z2867510304	265.35	C14H23N3O2	52.6	343	1.2	19	1	2	2	InChI=1S/C14H23N3O2/c1-2-13(18)16-8-10-17(11-9-16)14(19)15-12-6-4-3-5-7-12/h2,12H,1,3-11H2,(H,15,19)	C=CC(=O)N1CCN(CC1)C(=O)NC2CCCCC2	C=CC(=O)N1CCN(CC1)C(=O)NC2CCCCC2	RKTMKDUGAHHQOY-UHFFFAOYSA-N	N-cyclohexyl-4-prop-2-enoylpiperazine-1-carboxamide
LDCM0304	AC42	132317716	2196447-08-0; 4-(prop-2-enoyl)-2,3,4,5-tetrahydro-1lambda6,4-benzothiazepine-1,1-dione; AKOS034007648; EN300-6702357; Z3488539979; 1-(1,1-Dioxo-3,5-dihydro-2H-1lambda6,4-benzothiazepin-4-yl)prop-2-en-1-one	251.3	C12H13NO3S	62.8	410	0.8	17	0	3	1	InChI=1S/C12H13NO3S/c1-2-12(14)13-7-8-17(15,16)11-6-4-3-5-10(11)9-13/h2-6H,1,7-9H2	C=CC(=O)N1CCS(=O)(=O)C2=CC=CC=C2C1	C=CC(=O)N1CCS(=O)(=O)C2=CC=CC=C2C1	BIVHIZOLPOZORM-UHFFFAOYSA-N	1-(1,1-dioxo-3,5-dihydro-2H-1lambda6,4-benzothiazepin-4-yl)prop-2-en-1-one
LDCM0305	AC43	132317572	N-[1-(7-Fluoro-1-benzofuran-2-yl)ethyl]prop-2-enamide; 2191062-44-7; AKOS034007512; EN300-6702275; Z3488539490	233.24	C13H12FNO2	42.2	308	2.6	17	1	3	3	InChI=1S/C13H12FNO2/c1-3-12(16)15-8(2)11-7-9-5-4-6-10(14)13(9)17-11/h3-8H,1H2,2H3,(H,15,16)	CC(C1=CC2=C(O1)C(=CC=C2)F)NC(=O)C=C	CC(C1=CC2=C(O1)C(=CC=C2)F)NC(=O)C=C	FRDLTZFWPWEWNI-UHFFFAOYSA-N	N-[1-(7-fluoro-1-benzofuran-2-yl)ethyl]prop-2-enamide
LDCM0306	AC44	132326901	2196077-44-6; AKOS033934790; EN300-6689017; Z3488531013; N-(2-Methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)prop-2-enamide; N-{2-methyl-5H,6H,7H,8H-[1,2,4]triazolo[1,5-a]pyridin-6-yl}prop-2-enamide	206.24	C10H14N4O	59.8	268	0.7	15	1	3	2	InChI=1S/C10H14N4O/c1-3-10(15)12-8-4-5-9-11-7(2)13-14(9)6-8/h3,8H,1,4-6H2,2H3,(H,12,15)	CC1=NN2CC(CCC2=N1)NC(=O)C=C	CC1=NN2CC(CCC2=N1)NC(=O)C=C	LTZMBHAQRRLKCW-UHFFFAOYSA-N	N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)prop-2-enamide
LDCM0307	AC45	121582301	1-[3-(ethanesulfonyl)azetidin-1-yl]prop-2-en-1-one; 1-(3-ethylsulfonylazetidin-1-yl)prop-2-en-1-one; 2093805-85-5; EN300-26574116; Z2737383566	203.26	C8H13NO3S	62.8	309	-0.1	13	0	3	3	InChI=1S/C8H13NO3S/c1-3-8(10)9-5-7(6-9)13(11,12)4-2/h3,7H,1,4-6H2,2H3	CCS(=O)(=O)C1CN(C1)C(=O)C=C	CCS(=O)(=O)C1CN(C1)C(=O)C=C	RKELPUGMGVMZCK-UHFFFAOYSA-N	1-(3-ethylsulfonylazetidin-1-yl)prop-2-en-1-one
LDCM0308	AC46	132317556	2196443-96-4; 1-(6-Methoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)prop-2-en-1-one; AKOS034007492; EN300-26593899; Z3488634436; 1-(6-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)prop-2-en-1-one	231.29	C14H17NO2	29.5	290	2.6	17	0	2	2	InChI=1S/C14H17NO2/c1-3-14(16)15-10-5-4-7-11-12(15)8-6-9-13(11)17-2/h3,6,8-9H,1,4-5,7,10H2,2H3	COC1=CC=CC2=C1CCCCN2C(=O)C=C	COC1=CC=CC2=C1CCCCN2C(=O)C=C	PVMGNNPCWNAIKD-UHFFFAOYSA-N	1-(6-methoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)prop-2-en-1-one
LDCM0309	AC47	132306369	2194450-26-3; N-[[1-(4-Chlorophenyl)cyclopropyl]methyl]prop-2-enamide; N-{[1-(4-chlorophenyl)cyclopropyl]methyl}prop-2-enamide; AKOS033678945; EN300-6636735; Z3488504295	235.71	C13H14ClNO	29.1	278	3	16	1	1	4	InChI=1S/C13H14ClNO/c1-2-12(16)15-9-13(7-8-13)10-3-5-11(14)6-4-10/h2-6H,1,7-9H2,(H,15,16)	C=CC(=O)NCC1(CC1)C2=CC=C(C=C2)Cl	C=CC(=O)NCC1(CC1)C2=CC=C(C=C2)Cl	SSKNOFNBUNEQNX-UHFFFAOYSA-N	N-[[1-(4-chlorophenyl)cyclopropyl]methyl]prop-2-enamide
LDCM0310	AC48	132317550	2195972-84-8; N-(2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)prop-2-enamide; AKOS034007486; EN300-6702262; Z3488540782; N-(2,2-Dimethyl-3,4-dihydrochromen-6-yl)prop-2-enamide	231.29	C14H17NO2	38.3	311	2.7	17	1	2	2	InChI=1S/C14H17NO2/c1-4-13(16)15-11-5-6-12-10(9-11)7-8-14(2,3)17-12/h4-6,9H,1,7-8H2,2-3H3,(H,15,16)	CC1(CCC2=C(O1)C=CC(=C2)NC(=O)C=C)C	CC1(CCC2=C(O1)C=CC(=C2)NC(=O)C=C)C	DKEOCZAUTMEDFC-UHFFFAOYSA-N	N-(2,2-dimethyl-3,4-dihydrochromen-6-yl)prop-2-enamide
LDCM0311	AC49	132306313	2188359-98-8; AKOS033678784; EN300-6636686; N-[(2-Morpholin-4-ylpyridin-3-yl)methyl]prop-2-enamide; Z3488504228; N-{[2-(morpholin-4-yl)pyridin-3-yl]methyl}prop-2-enamide	247.29	C13H17N3O2	54.5	290	0.6	18	1	4	4	InChI=1S/C13H17N3O2/c1-2-12(17)15-10-11-4-3-5-14-13(11)16-6-8-18-9-7-16/h2-5H,1,6-10H2,(H,15,17)	C=CC(=O)NCC1=C(N=CC=C1)N2CCOCC2	C=CC(=O)NCC1=C(N=CC=C1)N2CCOCC2	XCGDFMHZQNAXRV-UHFFFAOYSA-N	N-[(2-morpholin-4-ylpyridin-3-yl)methyl]prop-2-enamide
LDCM0312	AC5	132317497	N-(7-Chloro-2,3-dihydro-1-benzofuran-3-yl)prop-2-enamide; 2196017-41-9; AKOS034007431; EN300-6702231; Z3488635216	223.65	C11H10ClNO2	38.3	269	2	15	1	2	2	InChI=1S/C11H10ClNO2/c1-2-10(14)13-9-6-15-11-7(9)4-3-5-8(11)12/h2-5,9H,1,6H2,(H,13,14)	C=CC(=O)NC1COC2=C1C=CC=C2Cl	C=CC(=O)NC1COC2=C1C=CC=C2Cl	SZGICWRBDLZGMI-UHFFFAOYSA-N	N-(7-chloro-2,3-dihydro-1-benzofuran-3-yl)prop-2-enamide
LDCM0313	AC50	121582256	(3S,4S)-N,N-dimethyl-1-(prop-2-enoyl)-4-(trifluoromethyl)pyrrolidine-3-sulfonamide; 2093993-31-6; (3S,4S)-N,N-dimethyl-1-prop-2-enoyl-4-(trifluoromethyl)pyrrolidine-3-sulfonamide; AKOS034810845; EN300-6670069; Z3215813120	300.3	C10H15F3N2O3S	66.1	467	0.8	19	0	7	3	InChI=1S/C10H15F3N2O3S/c1-4-9(16)15-5-7(10(11,12)13)8(6-15)19(17,18)14(2)3/h4,7-8H,1,5-6H2,2-3H3/t7-,8-/m1/s1	CN(C)S(=O)(=O)[C@@H]1CN(C[C@H]1C(F)(F)F)C(=O)C=C	CN(C)S(=O)(=O)C1CN(CC1C(F)(F)F)C(=O)C=C	BKUKHKOUWIETEK-HTQZYQBOSA-N	(3S,4S)-N,N-dimethyl-1-prop-2-enoyl-4-(trifluoromethyl)pyrrolidine-3-sulfonamide
LDCM0314	AC51	132317795	AKOS034007720; EN300-6702398; Z3488539825; N-{[5-fluoro-6-(morpholin-4-yl)pyridin-3-yl]methyl}prop-2-enamide; 2189498-71-1	265.28	C13H16FN3O2	54.5	321	0.7	19	1	5	4	InChI=1S/C13H16FN3O2/c1-2-12(18)15-8-10-7-11(14)13(16-9-10)17-3-5-19-6-4-17/h2,7,9H,1,3-6,8H2,(H,15,18)	C=CC(=O)NCC1=CC(=C(N=C1)N2CCOCC2)F	C=CC(=O)NCC1=CC(=C(N=C1)N2CCOCC2)F	QWRSQUVVLZZZGE-UHFFFAOYSA-N	N-[(5-fluoro-6-morpholin-4-ylpyridin-3-yl)methyl]prop-2-enamide
LDCM0315	AC52	132317707	2196446-86-1; AKOS034007640; EN300-6702351; N-(4-Fluoro-3-morpholin-4-ylphenyl)prop-2-enamide; N-[4-fluoro-3-(morpholin-4-yl)phenyl]prop-2-enamide; Z3488539185	250.27	C13H15FN2O2	41.6	305	1.5	18	1	4	3	InChI=1S/C13H15FN2O2/c1-2-13(17)15-10-3-4-11(14)12(9-10)16-5-7-18-8-6-16/h2-4,9H,1,5-8H2,(H,15,17)	C=CC(=O)NC1=CC(=C(C=C1)F)N2CCOCC2	C=CC(=O)NC1=CC(=C(C=C1)F)N2CCOCC2	RWDDBMXCHJBIHF-UHFFFAOYSA-N	N-(4-fluoro-3-morpholin-4-ylphenyl)prop-2-enamide
LDCM0316	AC53	132327106	2196073-06-8; AKOS033935090; EN300-7530881; Z3488583140; 1-(7-Methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)prop-2-en-1-one; 1-(7-methanesulfonyl-1,2,3,4-tetrahydroquinolin-1-yl)prop-2-en-1-one	265.33	C13H15NO3S	62.8	438	1.5	18	0	3	2	InChI=1S/C13H15NO3S/c1-3-13(15)14-8-4-5-10-6-7-11(9-12(10)14)18(2,16)17/h3,6-7,9H,1,4-5,8H2,2H3	CS(=O)(=O)C1=CC2=C(CCCN2C(=O)C=C)C=C1	CS(=O)(=O)C1=CC2=C(CCCN2C(=O)C=C)C=C1	FGYHRRDGOBEQOQ-UHFFFAOYSA-N	1-(7-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)prop-2-en-1-one
LDCM0317	AC54	126831924	2094615-58-2; N-{[1-(2,2,2-trifluoroacetyl)piperidin-2-yl]methyl}prop-2-enamide; N-[[1-(2,2,2-trifluoroacetyl)piperidin-2-yl]methyl]prop-2-enamide; EN300-26574967; Z2867529665; N-{[1-(trifluoroacetyl)piperidin-2-yl]methyl}prop-2-enamide	264.24	C11H15F3N2O2	49.4	342	1.7	18	1	5	3	InChI=1S/C11H15F3N2O2/c1-2-9(17)15-7-8-5-3-4-6-16(8)10(18)11(12,13)14/h2,8H,1,3-7H2,(H,15,17)	C=CC(=O)NCC1CCCCN1C(=O)C(F)(F)F	C=CC(=O)NCC1CCCCN1C(=O)C(F)(F)F	JFEDIYMXAJMURI-UHFFFAOYSA-N	N-[[1-(2,2,2-trifluoroacetyl)piperidin-2-yl]methyl]prop-2-enamide
LDCM0318	AC55	132317397	2196015-57-1; N-[(1r,3r)-3-(3-methylphenyl)cyclobutyl]prop-2-enamide; AKOS034818700; EN300-6702160; N-[3-(3-Methylphenyl)cyclobutyl]prop-2-enamide; Z3488539816	215.29	C14H17NO	29.1	268	2.8	16	1	1	3	InChI=1S/C14H17NO/c1-3-14(16)15-13-8-12(9-13)11-6-4-5-10(2)7-11/h3-7,12-13H,1,8-9H2,2H3,(H,15,16)	CC1=CC(=CC=C1)C2CC(C2)NC(=O)C=C	CC1=CC(=CC=C1)C2CC(C2)NC(=O)C=C	KIXKEFBDIXWLET-UHFFFAOYSA-N	N-[3-(3-methylphenyl)cyclobutyl]prop-2-enamide
LDCM0319	AC56	132326966	2179723-57-8; N-[1-[4-(Trifluoromethyl)phenyl]pyrrolidin-3-yl]prop-2-enamide; N-{1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl}prop-2-enamide; AKOS033934874; EN300-6689071; Z3488529536	284.28	C14H15F3N2O	32.299	362	3	20	1	5	3	InChI=1S/C14H15F3N2O/c1-2-13(20)18-11-7-8-19(9-11)12-5-3-10(4-6-12)14(15,16)17/h2-6,11H,1,7-9H2,(H,18,20)	C=CC(=O)NC1CCN(C1)C2=CC=C(C=C2)C(F)(F)F	C=CC(=O)NC1CCN(C1)C2=CC=C(C=C2)C(F)(F)F	CHOVYLORGBRGCR-UHFFFAOYSA-N	N-[1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]prop-2-enamide
LDCM0320	AC57	121582114	AKOS033849972; Z2737383379	296.25	C13H11F3N4O	70.7	388	2.3	21	2	6	4	InChI=1S/C13H11F3N4O/c1-2-10(21)19-11(12-17-7-18-20-12)8-4-3-5-9(6-8)13(14,15)16/h2-7,11H,1H2,(H,19,21)(H,17,18,20)	C=CC(=O)NC(C1=CC(=CC=C1)C(F)(F)F)C2=NC=NN2	C=CC(=O)NC(C1=CC(=CC=C1)C(F)(F)F)C2=NC=NN2	WHABYDXFVNYANW-UHFFFAOYSA-N	N-[1H-1,2,4-triazol-5-yl-[3-(trifluoromethyl)phenyl]methyl]prop-2-enamide
LDCM0321	AC58	132317837	2189499-11-2; N-[3-(4-methanesulfonylphenyl)oxolan-3-yl]prop-2-enamide; AKOS034007758; EN300-6702418; Z3488538867; N-[3-(4-Methylsulfonylphenyl)oxolan-3-yl]prop-2-enamide	295.36	C14H17NO4S	80.8	474	0.7	20	1	4	4	InChI=1S/C14H17NO4S/c1-3-13(16)15-14(8-9-19-10-14)11-4-6-12(7-5-11)20(2,17)18/h3-7H,1,8-10H2,2H3,(H,15,16)	CS(=O)(=O)C1=CC=C(C=C1)C2(CCOC2)NC(=O)C=C	CS(=O)(=O)C1=CC=C(C=C1)C2(CCOC2)NC(=O)C=C	OQGDSTWVCCAMMG-UHFFFAOYSA-N	N-[3-(4-methylsulfonylphenyl)oxolan-3-yl]prop-2-enamide
LDCM0322	AC59	132306386	N-[1-(4-Fluoro-2-methylphenyl)piperidin-3-yl]prop-2-enamide; 2194450-51-4; EN300-7521968	262.32	C15H19FN2O	32.299	334	3	19	1	3	3	InChI=1S/C15H19FN2O/c1-3-15(19)17-13-5-4-8-18(10-13)14-7-6-12(16)9-11(14)2/h3,6-7,9,13H,1,4-5,8,10H2,2H3,(H,17,19)	CC1=C(C=CC(=C1)F)N2CCCC(C2)NC(=O)C=C	CC1=C(C=CC(=C1)F)N2CCCC(C2)NC(=O)C=C	WSSNUFXKKBPFAH-UHFFFAOYSA-N	N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]prop-2-enamide
LDCM0323	AC6	132317685	2188733-72-2; AKOS034007620; EN300-6702341; 1-(3-Fluorophenyl)-4-prop-2-enoylpiperazin-2-one; 1-(3-fluorophenyl)-4-(prop-2-enoyl)piperazin-2-one; Z3488540296	248.25	C13H13FN2O2	40.6	359	1.3	18	0	3	2	InChI=1S/C13H13FN2O2/c1-2-12(17)15-6-7-16(13(18)9-15)11-5-3-4-10(14)8-11/h2-5,8H,1,6-7,9H2	C=CC(=O)N1CCN(C(=O)C1)C2=CC(=CC=C2)F	C=CC(=O)N1CCN(C(=O)C1)C2=CC(=CC=C2)F	YOFMPKYSCHJPQH-UHFFFAOYSA-N	1-(3-fluorophenyl)-4-prop-2-enoylpiperazin-2-one
LDCM0324	AC60	132317808	2196449-16-6; N-[1-(Cyclopropylmethyl)-2-oxo-3,4-dihydroquinolin-6-yl]prop-2-enamide; N-[1-(cyclopropylmethyl)-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl]prop-2-enamide; AKOS034007731; EN300-6702405; Z3488540299; N-(1-(Cyclopropylmethyl)-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)acrylamide	270.33	C16H18N2O2	49.4	417	1.8	20	1	2	4	InChI=1S/C16H18N2O2/c1-2-15(19)17-13-6-7-14-12(9-13)5-8-16(20)18(14)10-11-3-4-11/h2,6-7,9,11H,1,3-5,8,10H2,(H,17,19)	C=CC(=O)NC1=CC2=C(C=C1)N(C(=O)CC2)CC3CC3	C=CC(=O)NC1=CC2=C(C=C1)N(C(=O)CC2)CC3CC3	QVMGRNKKMDKJKV-UHFFFAOYSA-N	N-[1-(cyclopropylmethyl)-2-oxo-3,4-dihydroquinolin-6-yl]prop-2-enamide
LDCM0325	AC61	132317287	2190141-57-0; AKOS034007179; EN300-6702099; Z3488538547; N-[5-(Difluoromethyl)-1-methylpyrazol-4-yl]prop-2-enamide; N-[5-(difluoromethyl)-1-methyl-1H-pyrazol-4-yl]prop-2-enamide	201.17	C8H9F2N3O	46.9	235	0.7	14	1	4	3	InChI=1S/C8H9F2N3O/c1-3-6(14)12-5-4-11-13(2)7(5)8(9)10/h3-4,8H,1H2,2H3,(H,12,14)	CN1C(=C(C=N1)NC(=O)C=C)C(F)F	CN1C(=C(C=N1)NC(=O)C=C)C(F)F	RETACGGHAZZUAK-UHFFFAOYSA-N	N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]prop-2-enamide
LDCM0326	AC62	126813873	N-[(2-phenyl-1,3-oxazol-4-yl)methyl]prop-2-enamide; 2094315-99-6; AKOS033679077; N-((2-Phenyloxazol-4-yl)methyl)acrylamide; EN300-6636782; Z2867512253	228.25	C13H12N2O2	55.1	275	1.7	17	1	3	4	InChI=1S/C13H12N2O2/c1-2-12(16)14-8-11-9-17-13(15-11)10-6-4-3-5-7-10/h2-7,9H,1,8H2,(H,14,16)	C=CC(=O)NCC1=COC(=N1)C2=CC=CC=C2	C=CC(=O)NCC1=COC(=N1)C2=CC=CC=C2	TUQFJCZRSMKICN-UHFFFAOYSA-N	N-[(2-phenyl-1,3-oxazol-4-yl)methyl]prop-2-enamide
LDCM0327	AC63	43698609	N-[3-(difluoromethoxy)phenyl]prop-2-enamide; 1153014-41-5; AKOS009892294; EN300-6636698; Z445396146	213.18	C10H9F2NO2	38.3	234	2.8	15	1	4	4	InChI=1S/C10H9F2NO2/c1-2-9(14)13-7-4-3-5-8(6-7)15-10(11)12/h2-6,10H,1H2,(H,13,14)	C=CC(=O)NC1=CC(=CC=C1)OC(F)F	C=CC(=O)NC1=CC(=CC=C1)OC(F)F	GNWQJPXLBXGKKE-UHFFFAOYSA-N	N-[3-(difluoromethoxy)phenyl]prop-2-enamide
LDCM0328	AC64	132317231	N-[3-(Methoxymethyl)oxolan-3-yl]prop-2-enamide; 2189893-43-2; AKOS034007105; EN300-6702062; Z3488538389	185.22	C9H15NO3	47.6	205	-0.1	13	1	3	4	InChI=1S/C9H15NO3/c1-3-8(11)10-9(6-12-2)4-5-13-7-9/h3H,1,4-7H2,2H3,(H,10,11)	COCC1(CCOC1)NC(=O)C=C	COCC1(CCOC1)NC(=O)C=C	AYOVETDQILAROP-UHFFFAOYSA-N	N-[3-(methoxymethyl)oxolan-3-yl]prop-2-enamide
LDCM0329	AC65	132317396	AKOS034818699; EN300-6702159; Z3488539485; N-[(1r,3r)-3-(2-methylphenyl)cyclobutyl]prop-2-enamide; 2185980-70-3	215.29	C14H17NO	29.1	268	2.8	16	1	1	3	InChI=1S/C14H17NO/c1-3-14(16)15-12-8-11(9-12)13-7-5-4-6-10(13)2/h3-7,11-12H,1,8-9H2,2H3,(H,15,16)	CC1=CC=CC=C1C2CC(C2)NC(=O)C=C	CC1=CC=CC=C1C2CC(C2)NC(=O)C=C	IYXGNVXPDBCQCX-UHFFFAOYSA-N	N-[3-(2-methylphenyl)cyclobutyl]prop-2-enamide
LDCM0330	AC66	43422995	N-Acryloyl-1,3-benzodioxole-5-methanamine; 443667-53-6; N-(1,3-benzodioxol-5-ylmethyl)prop-2-enamide; SCHEMBL20456560; AKOS009144090; GP-0467; N-(2H-1,3-benzodioxol-5-ylmethyl)prop-2-enamide; N-[(2H-1,3-benzodioxol-5-yl)methyl]prop-2-enamide; Z276665414	205.21	C11H11NO3	47.6	254	1.6	15	1	3	3	InChI=1S/C11H11NO3/c1-2-11(13)12-6-8-3-4-9-10(5-8)15-7-14-9/h2-5H,1,6-7H2,(H,12,13)	C=CC(=O)NCC1=CC2=C(C=C1)OCO2	C=CC(=O)NCC1=CC2=C(C=C1)OCO2	ZVYKKYQQXDWFSB-UHFFFAOYSA-N	N-(1,3-benzodioxol-5-ylmethyl)prop-2-enamide
LDCM0331	AC67	121569161	N-({4-[(2-oxo-1,2-dihydropyridin-1-yl)methyl]phenyl}methyl)prop-2-enamide; 2094333-09-0; AKOS033678859; EN300-6636712; Z2737376611; N-[[4-[(2-oxopyridin-1-yl)methyl]phenyl]methyl]prop-2-enamide	268.31	C16H16N2O2	49.4	432	1.6	20	1	2	5	InChI=1S/C16H16N2O2/c1-2-15(19)17-11-13-6-8-14(9-7-13)12-18-10-4-3-5-16(18)20/h2-10H,1,11-12H2,(H,17,19)	C=CC(=O)NCC1=CC=C(C=C1)CN2C=CC=CC2=O	C=CC(=O)NCC1=CC=C(C=C1)CN2C=CC=CC2=O	GRUATHIOWQMDHR-UHFFFAOYSA-N	N-[[4-[(2-oxopyridin-1-yl)methyl]phenyl]methyl]prop-2-enamide
LDCM0332	AC68	121581887	AKOS033849793; EN300-26616236; Z2737383150; N-({1-phenyl-1H,4H,5H,6H-cyclopenta[c]pyrazol-3-yl}methyl)prop-2-enamide; 2094360-29-7	267.33	C16H17N3O	46.9	365	2.3	20	1	2	4	InChI=1S/C16H17N3O/c1-2-16(20)17-11-14-13-9-6-10-15(13)19(18-14)12-7-4-3-5-8-12/h2-5,7-8H,1,6,9-11H2,(H,17,20)	C=CC(=O)NCC1=NN(C2=C1CCC2)C3=CC=CC=C3	C=CC(=O)NCC1=NN(C2=C1CCC2)C3=CC=CC=C3	CFDUJLZGOWYHBJ-UHFFFAOYSA-N	N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]prop-2-enamide
LDCM0333	AC69	132326929	N-[1-(5-Methoxy-3-methyl-1-benzofuran-2-yl)ethyl]prop-2-enamide; 2179724-10-6; AKOS033934823; EN300-6689038; Z3488529365	259.3	C15H17NO3	51.5	344	2.8	19	1	3	4	InChI=1S/C15H17NO3/c1-5-14(17)16-10(3)15-9(2)12-8-11(18-4)6-7-13(12)19-15/h5-8,10H,1H2,2-4H3,(H,16,17)	CC1=C(OC2=C1C=C(C=C2)OC)C(C)NC(=O)C=C	CC1=C(OC2=C1C=C(C=C2)OC)C(C)NC(=O)C=C	NAHLVKRUSBIRKQ-UHFFFAOYSA-N	N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]prop-2-enamide
LDCM0334	AC7	132317520	2185981-39-7; AKOS034007459; EN300-6702247; Z2738284839; 1-(4-Cyclopropyl-2,3-dihydroquinoxalin-1-yl)prop-2-en-1-one; 1-(4-cyclopropyl-1,2,3,4-tetrahydroquinoxalin-1-yl)prop-2-en-1-one	228.29	C14H16N2O	23.6	324	2.3	17	0	2	2	InChI=1S/C14H16N2O/c1-2-14(17)16-10-9-15(11-7-8-11)12-5-3-4-6-13(12)16/h2-6,11H,1,7-10H2	C=CC(=O)N1CCN(C2=CC=CC=C21)C3CC3	C=CC(=O)N1CCN(C2=CC=CC=C21)C3CC3	CUBKWMDSUKYFPQ-UHFFFAOYSA-N	1-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)prop-2-en-1-one
LDCM0335	AC70	132317528	N-[2-(5-Oxopyrrolidin-2-yl)phenyl]prop-2-enamide; 2191062-30-1; AKOS034007467; EN300-6702253; Z3488539181	230.26	C13H14N2O2	58.2	327	0.9	17	2	2	3	InChI=1S/C13H14N2O2/c1-2-12(16)14-10-6-4-3-5-9(10)11-7-8-13(17)15-11/h2-6,11H,1,7-8H2,(H,14,16)(H,15,17)	C=CC(=O)NC1=CC=CC=C1C2CCC(=O)N2	C=CC(=O)NC1=CC=CC=C1C2CCC(=O)N2	GLFZZMRAMUGMLD-UHFFFAOYSA-N	N-[2-(5-oxopyrrolidin-2-yl)phenyl]prop-2-enamide
LDCM0336	AC71	126821616	N-{[6-(tert-butoxy)pyridin-2-yl]methyl}prop-2-enamide; 2094534-97-9; N-[[6-[(2-methylpropan-2-yl)oxy]pyridin-2-yl]methyl]prop-2-enamide; EN300-6670023; N-((6-(tert-Butoxy)pyridin-2-yl)methyl)acrylamide; Z2867519681	234.29	C13H18N2O2	51.2	271	1.9	17	1	3	5	InChI=1S/C13H18N2O2/c1-5-11(16)14-9-10-7-6-8-12(15-10)17-13(2,3)4/h5-8H,1,9H2,2-4H3,(H,14,16)	CC(C)(C)OC1=CC=CC(=N1)CNC(=O)C=C	CC(C)(C)OC1=CC=CC(=N1)CNC(=O)C=C	BEWLWNXRILGWMF-UHFFFAOYSA-N	N-[[6-[(2-methylpropan-2-yl)oxy]pyridin-2-yl]methyl]prop-2-enamide
LDCM0337	AC72	132326917	2175580-93-3; AKOS033934807; EN300-6689028; Z3488529197; 1-(7-Methoxy-1,3,4,5-tetrahydro-2-benzazepin-2-yl)prop-2-en-1-one; 1-(7-methoxy-2,3,4,5-tetrahydro-1H-2-benzazepin-2-yl)prop-2-en-1-one	231.29	C14H17NO2	29.5	290	2.2	17	0	2	2	InChI=1S/C14H17NO2/c1-3-14(16)15-8-4-5-11-9-13(17-2)7-6-12(11)10-15/h3,6-7,9H,1,4-5,8,10H2,2H3	COC1=CC2=C(CN(CCC2)C(=O)C=C)C=C1	COC1=CC2=C(CN(CCC2)C(=O)C=C)C=C1	UOPIRZYEQBZSED-UHFFFAOYSA-N	1-(7-methoxy-1,3,4,5-tetrahydro-2-benzazepin-2-yl)prop-2-en-1-one
LDCM0338	AC73	132317558	2189497-65-0; AKOS034007494; EN300-6702268; Z3488541273; 1-(6-Methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)prop-2-en-1-one; 1-(6-methoxy-2,3,4,5-tetrahydro-1H-3-benzazepin-3-yl)prop-2-en-1-one	231.29	C14H17NO2	29.5	290	2.3	17	0	2	2	InChI=1S/C14H17NO2/c1-3-14(16)15-9-7-11-5-4-6-13(17-2)12(11)8-10-15/h3-6H,1,7-10H2,2H3	COC1=CC=CC2=C1CCN(CC2)C(=O)C=C	COC1=CC=CC2=C1CCN(CC2)C(=O)C=C	JXRGNMUJECRQTL-UHFFFAOYSA-N	1-(6-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)prop-2-en-1-one
LDCM0339	AC74	121581908	N-{[5-(2-fluorophenyl)furan-2-yl]methyl}prop-2-enamide; 2094424-95-8; N-[[5-(2-fluorophenyl)furan-2-yl]methyl]prop-2-enamide; AKOS033849806; EN300-6669966; N-((5-(2-Fluorophenyl)furan-2-yl)methyl)acrylamide; Z2737383171	245.25	C14H12FNO2	42.2	308	2.5	18	1	3	4	InChI=1S/C14H12FNO2/c1-2-14(17)16-9-10-7-8-13(18-10)11-5-3-4-6-12(11)15/h2-8H,1,9H2,(H,16,17)	C=CC(=O)NCC1=CC=C(O1)C2=CC=CC=C2F	C=CC(=O)NCC1=CC=C(O1)C2=CC=CC=C2F	GFTSDFDDSIKLCZ-UHFFFAOYSA-N	N-[[5-(2-fluorophenyl)furan-2-yl]methyl]prop-2-enamide
LDCM0340	AC75	132327062	N-[1-(3-Fluoropyridin-2-yl)pyrrolidin-3-yl]prop-2-enamide; 2175582-10-0; AKOS033935025; EN300-7521960; Z3488531990	235.26	C12H14FN3O	45.2	298	1.5	17	1	4	3	InChI=1S/C12H14FN3O/c1-2-11(17)15-9-5-7-16(8-9)12-10(13)4-3-6-14-12/h2-4,6,9H,1,5,7-8H2,(H,15,17)	C=CC(=O)NC1CCN(C1)C2=C(C=CC=N2)F	C=CC(=O)NC1CCN(C1)C2=C(C=CC=N2)F	LJNBZPWCAMJALL-UHFFFAOYSA-N	N-[1-(3-fluoropyridin-2-yl)pyrrolidin-3-yl]prop-2-enamide
LDCM0341	AC76	43616247	N-(6-methoxypyridin-3-yl)prop-2-enamide; 303129-84-2; SCHEMBL4197685; N-(6-Methoxypyridin-3-yl)acrylamide; AKOS009809273; GP-0573; EN300-5085981; Z440633620	178.19	C9H10N2O2	51.2	194	0.9	13	1	3	3	InChI=1S/C9H10N2O2/c1-3-8(12)11-7-4-5-9(13-2)10-6-7/h3-6H,1H2,2H3,(H,11,12)	COC1=NC=C(C=C1)NC(=O)C=C	COC1=NC=C(C=C1)NC(=O)C=C	QSEGZGHGAISHTO-UHFFFAOYSA-N	N-(6-methoxypyridin-3-yl)prop-2-enamide
LDCM0342	AC77	130500176	N-(1,3-Dihydro-2-benzofuran-5-yl)prop-2-enamide; 1691977-90-8; AKOS034052600; EN300-5180544; Z1995255542	189.21	C11H11NO2	38.3	239	0.9	14	1	2	2	InChI=1S/C11H11NO2/c1-2-11(13)12-10-4-3-8-6-14-7-9(8)5-10/h2-5H,1,6-7H2,(H,12,13)	C=CC(=O)NC1=CC2=C(COC2)C=C1	C=CC(=O)NC1=CC2=C(COC2)C=C1	AFPUNFDXQMEIJB-UHFFFAOYSA-N	N-(1,3-dihydro-2-benzofuran-5-yl)prop-2-enamide
LDCM0343	AC78	132317618	AKOS034007553; EN300-6702303; N-[1-(2,4-difluorophenyl)cyclobutyl]prop-2-enamide; Z3488539822; 2189498-38-0	237.24	C13H13F2NO	29.1	315	2.5	17	1	3	3	InChI=1S/C13H13F2NO/c1-2-12(17)16-13(6-3-7-13)10-5-4-9(14)8-11(10)15/h2,4-5,8H,1,3,6-7H2,(H,16,17)	C=CC(=O)NC1(CCC1)C2=C(C=C(C=C2)F)F	C=CC(=O)NC1(CCC1)C2=C(C=C(C=C2)F)F	DBYJPPKTYQZZFT-UHFFFAOYSA-N	N-[1-(2,4-difluorophenyl)cyclobutyl]prop-2-enamide
LDCM0344	AC79	127267400	SCHEMBL21393059; rac-n-[(2r,3s)-2-(6-methoxypyridin-3-yl)oxolan-3-yl]prop-2-enamide; 2128694-22-2; AKOS030760004; EN300-6697407; Z2693921708; N-[(2S,3R)-2-(6-METHOXYPYRIDIN-3-YL)OXOLAN-3-YL]PROP-2-ENAMIDE	248.28	C13H16N2O3	60.4	309	0.9	18	1	4	4	InChI=1S/C13H16N2O3/c1-3-11(16)15-10-6-7-18-13(10)9-4-5-12(17-2)14-8-9/h3-5,8,10,13H,1,6-7H2,2H3,(H,15,16)/t10-,13+/m1/s1	COC1=NC=C(C=C1)[C@H]2[C@@H](CCO2)NC(=O)C=C	COC1=NC=C(C=C1)C2C(CCO2)NC(=O)C=C	SYXJWKOGKOSTIQ-MFKMUULPSA-N	N-[(2S,3R)-2-(6-methoxypyridin-3-yl)oxolan-3-yl]prop-2-enamide
LDCM0345	AC8	132326964	AKOS033934872; N-(1-phenylpiperidin-3-yl)prop-2-enamide; EN300-6689070; 2189107-99-9	230.31	C14H18N2O	32.299	271	2.5	17	1	2	3	InChI=1S/C14H18N2O/c1-2-14(17)15-12-7-6-10-16(11-12)13-8-4-3-5-9-13/h2-5,8-9,12H,1,6-7,10-11H2,(H,15,17)	C=CC(=O)NC1CCCN(C1)C2=CC=CC=C2	C=CC(=O)NC1CCCN(C1)C2=CC=CC=C2	TUBMTAYWLPIEEM-UHFFFAOYSA-N	N-(1-phenylpiperidin-3-yl)prop-2-enamide
LDCM0346	AC80	121581954	N-[3-(1H-1,2,4-triazol-1-yl)butan-2-yl]prop-2-enamide; 2094384-93-5; AKOS033849832; EN300-7521971; N-[3-(1,2,4-triazol-1-yl)butan-2-yl]prop-2-enamide; Z2737383216	194.23	C9H14N4O	59.8	219	0.7	14	1	3	4	InChI=1S/C9H14N4O/c1-4-9(14)12-7(2)8(3)13-6-10-5-11-13/h4-8H,1H2,2-3H3,(H,12,14)	CC(C(C)N1C=NC=N1)NC(=O)C=C	CC(C(C)N1C=NC=N1)NC(=O)C=C	WMCRWIAEMLISLV-UHFFFAOYSA-N	N-[3-(1,2,4-triazol-1-yl)butan-2-yl]prop-2-enamide
LDCM0347	AC81	126831929	1-[3-hydroxy-3-(naphthalen-1-yl)azetidin-1-yl]prop-2-en-1-one; 2094852-82-9; AKOS034000082; EN300-6699715; 1-(3-hydroxy-3-naphthalen-1-ylazetidin-1-yl)prop-2-en-1-one	253.29	C16H15NO2	40.5	373	2	19	1	2	2	InChI=1S/C16H15NO2/c1-2-15(18)17-10-16(19,11-17)14-9-5-7-12-6-3-4-8-13(12)14/h2-9,19H,1,10-11H2	C=CC(=O)N1CC(C1)(C2=CC=CC3=CC=CC=C32)O	C=CC(=O)N1CC(C1)(C2=CC=CC3=CC=CC=C32)O	NRXGERDQMUFTSZ-UHFFFAOYSA-N	1-(3-hydroxy-3-naphthalen-1-ylazetidin-1-yl)prop-2-en-1-one
LDCM0348	AC82	132326905	2179724-04-8; SCHEMBL19889049; AKOS033934797; EN300-2540835; 1-(3-Pyrazol-1-ylazetidin-1-yl)prop-2-en-1-one; Z2683181917; 1-[3-(1H-pyrazol-1-yl)azetidin-1-yl]prop-2-en-1-one	177.2	C9H11N3O	38.1	223	0.1	13	0	2	2	InChI=1S/C9H11N3O/c1-2-9(13)11-6-8(7-11)12-5-3-4-10-12/h2-5,8H,1,6-7H2	C=CC(=O)N1CC(C1)N2C=CC=N2	C=CC(=O)N1CC(C1)N2C=CC=N2	PTENPXRKKFVMJY-UHFFFAOYSA-N	1-(3-pyrazol-1-ylazetidin-1-yl)prop-2-en-1-one
LDCM0349	AC83	60949044	1183323-27-4; N-[1-(prop-2-enoyl)piperidin-3-yl]acetamide; N-(1-prop-2-enoylpiperidin-3-yl)acetamide; AKOS010173175; N-(1-Acryloylpiperidin-3-yl)acetamide; F84475; EN300-5085992; Z608673452	196.25	C10H16N2O2	49.4	251	0.2	14	1	2	2	InChI=1S/C10H16N2O2/c1-3-10(14)12-6-4-5-9(7-12)11-8(2)13/h3,9H,1,4-7H2,2H3,(H,11,13)	CC(=O)NC1CCCN(C1)C(=O)C=C	CC(=O)NC1CCCN(C1)C(=O)C=C	ZZLHIZKZVDJCJQ-UHFFFAOYSA-N	N-(1-prop-2-enoylpiperidin-3-yl)acetamide
LDCM0350	AC84	107362800	N-[2-(2-Methyl-1,3-thiazol-4-yl)ethyl]prop-2-enamide; 1695265-75-8; AKOS033678758; N-(2-(2-Methylthiazol-4-yl)ethyl)acrylamide; EN300-6636675; Z1937815982; N-[2-(2-METHYL-13-THIAZOL-4-YL)ETHYL]PROP-2-ENAMIDE	196.27	C9H12N2OS	70.2	196	1.6	13	1	3	4	InChI=1S/C9H12N2OS/c1-3-9(12)10-5-4-8-6-13-7(2)11-8/h3,6H,1,4-5H2,2H3,(H,10,12)	CC1=NC(=CS1)CCNC(=O)C=C	CC1=NC(=CS1)CCNC(=O)C=C	UUXUQMWQMDFJLU-UHFFFAOYSA-N	N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]prop-2-enamide
LDCM0351	AC85	132317240	1-(3-Phenylazetidin-1-yl)prop-2-en-1-one; 2185980-33-8; AKOS034007117; EN300-6702070; Z3488538546	187.24	C12H13NO	20.3	225	1.8	14	0	1	2	InChI=1S/C12H13NO/c1-2-12(14)13-8-11(9-13)10-6-4-3-5-7-10/h2-7,11H,1,8-9H2	C=CC(=O)N1CC(C1)C2=CC=CC=C2	C=CC(=O)N1CC(C1)C2=CC=CC=C2	BNHYATAMWMSJDP-UHFFFAOYSA-N	1-(3-phenylazetidin-1-yl)prop-2-en-1-one
LDCM0352	AC86	122155872	1-{1H,2H,3H,4H-pyrazino[1,2-a]indol-2-yl}prop-2-en-1-one; 2094407-72-2; AKOS033935130; EN300-6689191; Z2867490853; 1-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)prop-2-en-1-one	226.27	C14H14N2O	25.2	328	1.6	17	0	1	1	InChI=1S/C14H14N2O/c1-2-14(17)15-7-8-16-12(10-15)9-11-5-3-4-6-13(11)16/h2-6,9H,1,7-8,10H2	C=CC(=O)N1CCN2C(=CC3=CC=CC=C32)C1	C=CC(=O)N1CCN2C(=CC3=CC=CC=C32)C1	HVIBUZLGSQDMNT-UHFFFAOYSA-N	1-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)prop-2-en-1-one
LDCM0353	AC87	132306307	N-[1-(Furan-2-carbonyl)piperidin-4-yl]prop-2-enamide; 2192395-19-8; AKOS033678755; EN300-6636674	248.28	C13H16N2O3	62.6	335	1.2	18	1	3	3	InChI=1S/C13H16N2O3/c1-2-12(16)14-10-5-7-15(8-6-10)13(17)11-4-3-9-18-11/h2-4,9-10H,1,5-8H2,(H,14,16)	C=CC(=O)NC1CCN(CC1)C(=O)C2=CC=CO2	C=CC(=O)NC1CCN(CC1)C(=O)C2=CC=CO2	LGZLNVGDOFJNRW-UHFFFAOYSA-N	N-[1-(furan-2-carbonyl)piperidin-4-yl]prop-2-enamide
LDCM0354	AC88	132317801	2196448-94-7; EN300-6702400; Z3488539980; 1-[3-(5-Chloropyridin-2-yl)oxypiperidin-1-yl]prop-2-en-1-one; 1-{3-[(5-chloropyridin-2-yl)oxy]piperidin-1-yl}prop-2-en-1-one	266.72	C13H15ClN2O2	42.4	311	2.4	18	0	3	3	InChI=1S/C13H15ClN2O2/c1-2-13(17)16-7-3-4-11(9-16)18-12-6-5-10(14)8-15-12/h2,5-6,8,11H,1,3-4,7,9H2	C=CC(=O)N1CCCC(C1)OC2=NC=C(C=C2)Cl	C=CC(=O)N1CCCC(C1)OC2=NC=C(C=C2)Cl	QMYLUWGCNJIVNF-UHFFFAOYSA-N	1-[3-(5-chloropyridin-2-yl)oxypiperidin-1-yl]prop-2-en-1-one
LDCM0355	AC89	132326952	N-(4-Phenyloxan-4-yl)prop-2-enamide; 2175581-05-0; AKOS033934854; EN300-6689057; Z3488530839	231.29	C14H17NO2	38.3	276	1.8	17	1	2	3	InChI=1S/C14H17NO2/c1-2-13(16)15-14(8-10-17-11-9-14)12-6-4-3-5-7-12/h2-7H,1,8-11H2,(H,15,16)	C=CC(=O)NC1(CCOCC1)C2=CC=CC=C2	C=CC(=O)NC1(CCOCC1)C2=CC=CC=C2	ZSLVKFJBYMNJHQ-UHFFFAOYSA-N	N-(4-phenyloxan-4-yl)prop-2-enamide
LDCM0356	AKOS034007680	132317752	2176844-03-2; AKOS034007680; EN300-6702375; Z3488539342; 1-(3-Phenyl-7-oxa-2-azaspiro[3.5]nonan-2-yl)prop-2-en-1-one; 1-{1-phenyl-7-oxa-2-azaspiro[3.5]nonan-2-yl}prop-2-en-1-one	257.329	C16H19NO2	29.5	354	2.1	19	0	2	2	InChI=1S/C16H19NO2/c1-2-14(18)17-12-16(8-10-19-11-9-16)15(17)13-6-4-3-5-7-13/h2-7,15H,1,8-12H2	C=CC(=O)N1CC2(C1C3=CC=CC=C3)CCOCC2	C=CC(=O)N1CC2(C1C3=CC=CC=C3)CCOCC2	UNPGITPMJLFAMS-UHFFFAOYSA-N	1-(3-phenyl-7-oxa-2-azaspiro[3.5]nonan-2-yl)prop-2-en-1-one
LDCM0357	AC90	132306345	AKOS033678919; EN300-6636730; Z3488504448; N-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)prop-2-enamide; 2194450-00-3	217.26	C13H15NO2	38.3	265	2.1	16	1	2	2	InChI=1S/C13H15NO2/c1-2-13(15)14-11-7-5-9-16-12-8-4-3-6-10(11)12/h2-4,6,8,11H,1,5,7,9H2,(H,14,15)	C=CC(=O)NC1CCCOC2=CC=CC=C12	C=CC(=O)NC1CCCOC2=CC=CC=C12	SOSNVXKQPJBLOY-UHFFFAOYSA-N	N-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)prop-2-enamide
LDCM0358	AC91	132317408	N-[Cyclobutyl(pyridin-2-yl)methyl]prop-2-enamide; 2176573-48-9; AKOS034007322; EN300-6702166; Z3488540612	216.28	C13H16N2O	42	261	1.9	16	1	2	4	InChI=1S/C13H16N2O/c1-2-12(16)15-13(10-6-5-7-10)11-8-3-4-9-14-11/h2-4,8-10,13H,1,5-7H2,(H,15,16)	C=CC(=O)NC(C1CCC1)C2=CC=CC=N2	C=CC(=O)NC(C1CCC1)C2=CC=CC=N2	DRXUXIPEWKOBDK-UHFFFAOYSA-N	N-[cyclobutyl(pyridin-2-yl)methyl]prop-2-enamide
LDCM0359	AC92	121569217	N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]prop-2-enamide; 2094819-47-1; AKOS033678950; EN300-7522304; Z2737376665	235.28	C12H17N3O2	68	302	1.8	17	1	4	5	InChI=1S/C12H17N3O2/c1-4-9(16)13-10(7(2)3)12-14-11(15-17-12)8-5-6-8/h4,7-8,10H,1,5-6H2,2-3H3,(H,13,16)	CC(C)C(C1=NC(=NO1)C2CC2)NC(=O)C=C	CC(C)C(C1=NC(=NO1)C2CC2)NC(=O)C=C	SEPCXYHHQBNFMU-UHFFFAOYSA-N	N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]prop-2-enamide
LDCM0360	AC93	132317227	AKOS034007095; Z3488537940	182.22	C9H14N2O2	49.4	258	0.1	13	1	2	1	InChI=1S/C9H14N2O2/c1-4-8(13)11-5-7(12)10-6-9(11,2)3/h4H,1,5-6H2,2-3H3,(H,10,12)	CC1(CNC(=O)CN1C(=O)C=C)C	CC1(CNC(=O)CN1C(=O)C=C)C	CPKNHPKNNWFDHU-UHFFFAOYSA-N	5,5-dimethyl-4-prop-2-enoylpiperazin-2-one
LDCM0361	AC94	132317330	1-[4-(1,2-Oxazol-3-yl)piperidin-1-yl]prop-2-en-1-one; 2189894-73-1; AKOS034007224; EN300-7522352; Z3488538548	206.24	C11H14N2O2	46.3	247	1	15	0	3	2	InChI=1S/C11H14N2O2/c1-2-11(14)13-6-3-9(4-7-13)10-5-8-15-12-10/h2,5,8-9H,1,3-4,6-7H2	C=CC(=O)N1CCC(CC1)C2=NOC=C2	C=CC(=O)N1CCC(CC1)C2=NOC=C2	UCOPBKZZBCFUEB-UHFFFAOYSA-N	1-[4-(1,2-oxazol-3-yl)piperidin-1-yl]prop-2-en-1-one
LDCM0362	AC95	132317776	2196447-90-0; N-methyl-1-[1-(prop-2-enoyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide; AKOS034007702; EN300-6702389; Z3488540943; N-Methyl-1-(1-prop-2-enoylpiperidin-3-yl)pyrazole-3-carboxamide	262.31	C13H18N4O2	67.2	372	0.4	19	1	3	3	InChI=1S/C13H18N4O2/c1-3-12(18)16-7-4-5-10(9-16)17-8-6-11(15-17)13(19)14-2/h3,6,8,10H,1,4-5,7,9H2,2H3,(H,14,19)	CNC(=O)C1=NN(C=C1)C2CCCN(C2)C(=O)C=C	CNC(=O)C1=NN(C=C1)C2CCCN(C2)C(=O)C=C	GUVXXUCXBBXGTP-UHFFFAOYSA-N	N-methyl-1-(1-prop-2-enoylpiperidin-3-yl)pyrazole-3-carboxamide
LDCM0363	AC96	132327093	2174035-12-0; N-{6-oxa-2-thiaspiro[4.5]decan-9-yl}prop-2-enamide; AKOS033935073; EN300-6689165; N-(6-Oxa-2-thiaspiro[4.5]decan-9-yl)acrylamide; Z3488531173	227.33	C11H17NO2S	63.6	269	1.2	15	1	3	2	InChI=1S/C11H17NO2S/c1-2-10(13)12-9-3-5-14-11(7-9)4-6-15-8-11/h2,9H,1,3-8H2,(H,12,13)	C=CC(=O)NC1CCOC2(C1)CCSC2	C=CC(=O)NC1CCOC2(C1)CCSC2	UVHXVCABHRFZLG-UHFFFAOYSA-N	N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)prop-2-enamide
LDCM0364	AC97	132317535	3-Benzyl-1-prop-2-enoylimidazolidin-4-one; 2176843-57-3; AKOS034007474; 3-benzyl-1-(prop-2-enoyl)imidazolidin-4-one; EN300-6702255; Z3326413586	230.26	C13H14N2O2	40.6	321	1.2	17	0	2	3	InChI=1S/C13H14N2O2/c1-2-12(16)15-9-13(17)14(10-15)8-11-6-4-3-5-7-11/h2-7H,1,8-10H2	C=CC(=O)N1CC(=O)N(C1)CC2=CC=CC=C2	C=CC(=O)N1CC(=O)N(C1)CC2=CC=CC=C2	LTXMUOJLLVLRCO-UHFFFAOYSA-N	3-benzyl-1-prop-2-enoylimidazolidin-4-one
LDCM0365	AC98	53310274	AKOS033679023; Z1509340265	202.21	C11H10N2O2	58.2	301	0.5	15	2	2	2	InChI=1S/C11H10N2O2/c1-2-10(14)12-8-3-4-9-7(5-8)6-11(15)13-9/h2-5H,1,6H2,(H,12,14)(H,13,15)	C=CC(=O)NC1=CC2=C(C=C1)NC(=O)C2	C=CC(=O)NC1=CC2=C(C=C1)NC(=O)C2	JMHYWEUWUQCFGX-UHFFFAOYSA-N	N-(2-oxo-1,3-dihydroindol-5-yl)prop-2-enamide
LDCM0366	AC99	126814844	1-[3-(dimethylamino)-5H,6H,7H,8H-pyrido[4,3-c]pyridazin-6-yl]prop-2-en-1-one; 2094286-96-9; AKOS033849828; EN300-7522276; Z2867513101; 1-[3-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]prop-2-en-1-one	232.28	C12H16N4O	49.3	305	0.3	17	0	4	2	InChI=1S/C12H16N4O/c1-4-12(17)16-6-5-10-9(8-16)7-11(14-13-10)15(2)3/h4,7H,1,5-6,8H2,2-3H3	CN(C)C1=NN=C2CCN(CC2=C1)C(=O)C=C	CN(C)C1=NN=C2CCN(CC2=C1)C(=O)C=C	AOKICDSNIWOWGU-UHFFFAOYSA-N	1-[3-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]prop-2-en-1-one
LDCM0367	CL1	2526172	851288-86-3; 2-chloro-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide; 2-Chloro-N-[3-(2-methyl-thiazol-4-yl)-phenyl]-acetamide; 2-Chloro-N-(3-(2-methylthiazol-4-yl)phenyl)acetamide; BJB28886; AKOS000303335; CS-0224294; EN300-11872; G28462; Z57984668; F2158-1338	266.75	C12H11ClN2OS	70.2	277	2.8	17	1	3	3	InChI=1S/C12H11ClN2OS/c1-8-14-11(7-17-8)9-3-2-4-10(5-9)15-12(16)6-13/h2-5,7H,6H2,1H3,(H,15,16)	CC1=NC(=CS1)C2=CC(=CC=C2)NC(=O)CCl	CC1=NC(=CS1)C2=CC(=CC=C2)NC(=O)CCl	ZFQCNRJGUFAUAP-UHFFFAOYSA-N	2-chloro-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
LDCM0368	CL10	919029	3427-30-3; 2-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide; 2-Chloro-N-(6-methoxy-benzothiazol-2-yl)-acetamide; 2-Chloro-N-(6-methoxybenzo[d]thiazol-2-yl)acetamide; MFCD00452840; 2-Chloro-N-(6-methoxy-2-benzothiazolyl)-acetamide; SCHEMBL20543332; DTXSID60358837; STK033300; AKOS000103935; EN300-01812; G41561; A875039; Z203045206	256.709	C10H9ClN2O2S	79.5	267	2.5	16	1	4	3	InChI=1S/C10H9ClN2O2S/c1-15-6-2-3-7-8(4-6)16-10(12-7)13-9(14)5-11/h2-4H,5H2,1H3,(H,12,13,14)	COC1=CC2=C(C=C1)N=C(S2)NC(=O)CCl	COC1=CC2=C(C=C1)N=C(S2)NC(=O)CCl	OYGSDMFSKFBVOM-UHFFFAOYSA-N	2-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
LDCM0369	CL100	54592469	2-chloro-N-cyclopropyl-N-(2-methylpropyl)acetamide; 1184003-20-0; AKOS010025501; EN300-47256; G59493; Z561310518	189.68	C9H16ClNO	20.3	166	2.2	12	0	1	4	InChI=1S/C9H16ClNO/c1-7(2)6-11(8-3-4-8)9(12)5-10/h7-8H,3-6H2,1-2H3	CC(C)CN(C1CC1)C(=O)CCl	CC(C)CN(C1CC1)C(=O)CCl	OMTVSBIQZKYGHC-UHFFFAOYSA-N	2-chloro-N-cyclopropyl-N-(2-methylpropyl)acetamide
LDCM0370	CL101	3633284	2-chloro-N-(2-methylcyclohexyl)acetamide; 592474-65-2; STK499063; AKOS000283578; AKOS016050262; EN300-01968; G38392; Z56853743	189.68	C9H16ClNO	29.1	161	2.4	12	1	1	2	InChI=1S/C9H16ClNO/c1-7-4-2-3-5-8(7)11-9(12)6-10/h7-8H,2-6H2,1H3,(H,11,12)	CC1CCCCC1NC(=O)CCl	CC1CCCCC1NC(=O)CCl	SOESMQGNIBIAOH-UHFFFAOYSA-N	2-chloro-N-(2-methylcyclohexyl)acetamide
LDCM0371	CL102	2564767	2-chloro-N-[(3-methoxyphenyl)methyl]-N-methylacetamide; 851176-40-4; 2-chloro-N-(3-methoxybenzyl)-N-methylacetamide; AKOS008967641; EN300-11900; G38720; Z57057722	227.69	C11H14ClNO2	29.5	211	1.8	15	0	2	4	InChI=1S/C11H14ClNO2/c1-13(11(14)7-12)8-9-4-3-5-10(6-9)15-2/h3-6H,7-8H2,1-2H3	CN(CC1=CC(=CC=C1)OC)C(=O)CCl	CN(CC1=CC(=CC=C1)OC)C(=O)CCl	FLRJYXOMRJLWLV-UHFFFAOYSA-N	2-chloro-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
LDCM0372	CL103	138040105	2247102-56-1; 2-Chloro-N-[2-(2,3-dihydroindol-1-yl)ethyl]acetamide;hydrochloride; 2-chloro-N-[2-(2,3-dihydro-1H-indol-1-yl)ethyl]acetamide hydrochloride; 2-chloro-N-[2-(2,3-dihydro-1H-indol-1-yl)ethyl]acetamidehydrochloride; G25629; EN300-6491334; Z3377867516	275.17	C12H16Cl2N2O	32.299	247	.	17	2	2	4	InChI=1S/C12H15ClN2O.ClH/c13-9-12(16)14-6-8-15-7-5-10-3-1-2-4-11(10)15;/h1-4H,5-9H2,(H,14,16);1H	C1CN(C2=CC=CC=C21)CCNC(=O)CCl.Cl	C1CN(C2=CC=CC=C21)CCNC(=O)CCl.Cl	QSQKOVJFGPSCSX-UHFFFAOYSA-N	2-chloro-N-[2-(2,3-dihydroindol-1-yl)ethyl]acetamide;hydrochloride
LDCM0373	CL104	54592455	2-chloro-N-(2-cyanoethyl)-N-(2,3-dimethylphenyl)acetamide; 98042-41-2; AT33084; CS-0249910; EN300-46581; Z561092804	250.72	C13H15ClN2O	44.1	310	2.3	17	0	2	4	InChI=1S/C13H15ClN2O/c1-10-5-3-6-12(11(10)2)16(8-4-7-15)13(17)9-14/h3,5-6H,4,8-9H2,1-2H3	CC1=C(C(=CC=C1)N(CCC#N)C(=O)CCl)C	CC1=C(C(=CC=C1)N(CCC#N)C(=O)CCl)C	MAHJFQNRLUSSKJ-UHFFFAOYSA-N	2-chloro-N-(2-cyanoethyl)-N-(2,3-dimethylphenyl)acetamide
LDCM0374	CL105	1807193	2-chloro-N-cyclohexyl-N-methylacetamide; 2567-56-8; 2-chloro-N-cyclohexyl-N-methyl-acetamide; SCHEMBL227611; DTXSID20365204; IDPRDGUWSUCLQM-UHFFFAOYSA-N; MFCD00085689; STL122966; AKOS000265895; NCGC00335549-01; BS-37452; DB-086581; EN300-01768; AB01327936-02; Z56891381	189.68	C9H16ClNO	20.3	155	2.2	12	0	1	2	InChI=1S/C9H16ClNO/c1-11(9(12)7-10)8-5-3-2-4-6-8/h8H,2-7H2,1H3	CN(C1CCCCC1)C(=O)CCl	CN(C1CCCCC1)C(=O)CCl	IDPRDGUWSUCLQM-UHFFFAOYSA-N	2-chloro-N-cyclohexyl-N-methylacetamide
LDCM0375	CL106	4962071	2-chloro-N-(cyclohex-1-en-1-yl)-N-cyclopropylacetamide; 2-chloro-N-cyclohex-1-en-1-yl-N-cyclopropylacetamide; 852399-87-2; 2-chloro-N-(cyclohexen-1-yl)-N-cyclopropylacetamide; AKOS008987602; CS-0232663; EN300-12799; Z85936387	213.7	C11H16ClNO	20.3	258	2.5	14	0	1	3	InChI=1S/C11H16ClNO/c12-8-11(14)13(10-6-7-10)9-4-2-1-3-5-9/h4,10H,1-3,5-8H2	C1CCC(=CC1)N(C2CC2)C(=O)CCl	C1CCC(=CC1)N(C2CC2)C(=O)CCl	FQGQJEGANZYIHC-UHFFFAOYSA-N	2-chloro-N-(cyclohexen-1-yl)-N-cyclopropylacetamide
LDCM0376	CL107	45791609	1379417-85-2; 2-Chloro-N-(2-isobutyl-1,2-dihydro-3H-pyrazol-3-ylidene)acetamide; starbld0002005; 2-chloro-N-[2-(2-methylpropyl)-2,3-dihydro-1H-pyrazol-3-ylidene]acetamide; AKOS026729157; EN300-46161; 2-chloro-N-[1-(2-methylpropyl)-1H-pyrazol-5-yl]acetamide	215.68	C9H14ClN3O	46.9	199	1.6	14	1	2	4	InChI=1S/C9H14ClN3O/c1-7(2)6-13-8(3-4-11-13)12-9(14)5-10/h3-4,7H,5-6H2,1-2H3,(H,12,14)	CC(C)CN1C(=CC=N1)NC(=O)CCl	CC(C)CN1C(=CC=N1)NC(=O)CCl	LECIRESSUIYQEI-UHFFFAOYSA-N	2-chloro-N-[2-(2-methylpropyl)pyrazol-3-yl]acetamide
LDCM0377	CL108	45791612	2-chloro-N-(1-propyl-1H-pyrazol-5-yl)acetamide; 1209931-68-9; 2-chloro-N-(2-propylpyrazol-3-yl)acetamide; AKOS026677374; CS-0249914; EN300-46661; G51265; 2-Chloro-N-(2-propyl-1H-pyrazol-3-ylidene)acetamide; F8880-1155; Z561109586	201.65	C8H12ClN3O	46.9	177	1.2	13	1	2	4	InChI=1S/C8H12ClN3O/c1-2-5-12-7(3-4-10-12)11-8(13)6-9/h3-4H,2,5-6H2,1H3,(H,11,13)	CCCN1C(=CC=N1)NC(=O)CCl	CCCN1C(=CC=N1)NC(=O)CCl	VGFIIMADDPCLFZ-UHFFFAOYSA-N	2-chloro-N-(2-propylpyrazol-3-yl)acetamide
LDCM0378	CL109	2392399	2-chloro-N-cyclohexyl-N-ethylacetamide; 2567-61-5; 2-chloro-N-cyclohexyl-N-ethyl-acetamide; N-ethyl-N-cyclohexyl-chloroacetamide; SCHEMBL2934325; DTXSID40368439; CUTKXXKVSDIVMV-UHFFFAOYSA-N; CAA56761; MFCD03147372; AKOS002364180; AT33081; NCGC00332875-01; AS-82655; CS-0218674; EN300-01688; AB01327223-02; Z56891379	203.71	C10H18ClNO	20.3	166	2.5	13	0	1	3	InChI=1S/C10H18ClNO/c1-2-12(10(13)8-11)9-6-4-3-5-7-9/h9H,2-8H2,1H3	CCN(C1CCCCC1)C(=O)CCl	CCN(C1CCCCC1)C(=O)CCl	CUTKXXKVSDIVMV-UHFFFAOYSA-N	2-chloro-N-cyclohexyl-N-ethylacetamide
LDCM0379	CL11	2389991	2-chloro-N-(5-chloro-2-cyanophenyl)acetamide; 189083-68-9; DTXSID501256253; AKOS001038426; CS-0218643; EN300-01598; E85956; SR-01000039859; SR-01000039859-1; Z56889402	229.06	C9H6Cl2N2O	52.9	261	2.9	14	1	2	2	InChI=1S/C9H6Cl2N2O/c10-4-9(14)13-8-3-7(11)2-1-6(8)5-12/h1-3H,4H2,(H,13,14)	C1=CC(=C(C=C1Cl)NC(=O)CCl)C#N	C1=CC(=C(C=C1Cl)NC(=O)CCl)C#N	LIULOSOFIJGOCL-UHFFFAOYSA-N	2-chloro-N-(5-chloro-2-cyanophenyl)acetamide
LDCM0380	CL110	4961965	2-chloro-N-methyl-N-(1-phenylethyl)acetamide; 40023-04-9; DTXSID50406977; AKOS008039527; CS-0231807; EN300-12552; G38226; Z86023354	211.69	C11H14ClNO	20.3	190	2.2	14	0	1	3	InChI=1S/C11H14ClNO/c1-9(13(2)11(14)8-12)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3	CC(C1=CC=CC=C1)N(C)C(=O)CCl	CC(C1=CC=CC=C1)N(C)C(=O)CCl	QBURJKXCINMVEV-UHFFFAOYSA-N	2-chloro-N-methyl-N-(1-phenylethyl)acetamide
LDCM0381	CL111	16806065	1-(4-Benzyl-piperazin-1-yl)-2-chloro-ethanone hydrochloride; 76087-89-3; 1-(4-benzylpiperazin-1-yl)-2-chloroethanone hydrochloride; 1-(4-benzylpiperazin-1-yl)-2-chloroethanone;hydrochloride; 1-(4-Benzyl-piperazin-1-yl)-2-chloro-ethanonehydrochloride; AKOS004897031; EN300-01774; G10139; 1-(4-Benzylpiperazin-1-yl)-2-chloroethanone HCl; Z56862635; F0307-0350; 1-(4-benzylpiperazin-1-yl)-2-chloroethan-1-one hydrochloride	289.2	C13H18Cl2N2O	23.6	246	.	18	1	2	3	InChI=1S/C13H17ClN2O.ClH/c14-10-13(17)16-8-6-15(7-9-16)11-12-4-2-1-3-5-12;/h1-5H,6-11H2;1H	C1CN(CCN1CC2=CC=CC=C2)C(=O)CCl.Cl	C1CN(CCN1CC2=CC=CC=C2)C(=O)CCl.Cl	BLUWTCAQSQQYSH-UHFFFAOYSA-N	1-(4-benzylpiperazin-1-yl)-2-chloroethanone;hydrochloride
LDCM0382	CL112	16226882	1-(2-chloroacetyl)piperidine-2-carboxamide; 1008495-19-9; 1-(chloroacetyl)piperidine-2-carboxamide; SCHEMBL22481429; AKOS009075887; DB-146362; CS-0240522; EN300-22879; G48751; Z147647664	204.65	C8H13ClN2O2	63.4	220	-0.4	13	1	2	2	InChI=1S/C8H13ClN2O2/c9-5-7(12)11-4-2-1-3-6(11)8(10)13/h6H,1-5H2,(H2,10,13)	C1CCN(C(C1)C(=O)N)C(=O)CCl	C1CCN(C(C1)C(=O)N)C(=O)CCl	IIKBHYWROBDIRR-UHFFFAOYSA-N	1-(2-chloroacetyl)piperidine-2-carboxamide
LDCM0383	CL113	3161251	1-(2-chloroacetyl)pyrrolidin-2-one; 43170-60-1; 1-(2-Chloro-acetyl)-pyrrolidin-2-one; 2-Pyrrolidinone, 1-(chloroacetyl)- (9CI); 1-(2-Chloro-acetyl)pyrrolidin-2-one; N-(chloroacetyl)pyrrolidone; SCHEMBL952927; DTXSID00390296; XAXRVMNVJFVLDQ-UHFFFAOYSA-N; MFCD03973204; AKOS000303461; CS-0219943; EN300-05387; G28438; A872745; J-502972; Z56900890	161.58	C6H8ClNO2	37.4	169	1	10	0	2	1	InChI=1S/C6H8ClNO2/c7-4-6(10)8-3-1-2-5(8)9/h1-4H2	C1CC(=O)N(C1)C(=O)CCl	C1CC(=O)N(C1)C(=O)CCl	XAXRVMNVJFVLDQ-UHFFFAOYSA-N	1-(2-chloroacetyl)pyrrolidin-2-one
LDCM0384	CL114	50989220	2-chloro-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]ethan-1-one; 1184155-18-7; 2-chloro-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone; SCHEMBL21392838; AKOS010027741; EN300-47135; G39460; Z561256184	253.72	C13H16ClNO2	29.5	272	2.3	17	0	2	3	InChI=1S/C13H16ClNO2/c1-17-11-5-2-4-10(8-11)12-6-3-7-15(12)13(16)9-14/h2,4-5,8,12H,3,6-7,9H2,1H3	COC1=CC=CC(=C1)C2CCCN2C(=O)CCl	COC1=CC=CC(=C1)C2CCCN2C(=O)CCl	ZQQWOJHESAIQJL-UHFFFAOYSA-N	2-chloro-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone
LDCM0385	CL115	3162827	956949-81-8; 2-Chloro-N-(2-isopropyl-2H-pyrazol-3-yl)-acetamide; 2-chloro-N-(1-isopropyl-1H-pyrazol-5-yl)acetamide; 2-chloro-N-[1-(propan-2-yl)-1H-pyrazol-5-yl]acetamide; 2-chloro-N-(2-propan-2-ylpyrazol-3-yl)acetamide; 2-chloro-N-(2-isopropylpyrazol-3-yl)acetamide; MFCD06357425; AKOS000199391; CS-0221883; EN300-10044; G41644; SR-01000325121; SR-01000325121-1; Z56347133	201.65	C8H12ClN3O	46.9	186	1.1	13	1	2	3	InChI=1S/C8H12ClN3O/c1-6(2)12-7(3-4-10-12)11-8(13)5-9/h3-4,6H,5H2,1-2H3,(H,11,13)	CC(C)N1C(=CC=N1)NC(=O)CCl	CC(C)N1C(=CC=N1)NC(=O)CCl	COMFBOSALXURDO-UHFFFAOYSA-N	2-chloro-N-(2-propan-2-ylpyrazol-3-yl)acetamide
LDCM0386	CL116	119032146	4-[(2-chloroacetamido)methyl]-N,N-dimethylbenzamide; 1803582-44-6; 4-[[(2-chloroacetyl)amino]methyl]-N,N-dimethylbenzamide; EN300-47393; Z561373056	254.71	C12H15ClN2O2	49.4	274	1.1	17	1	2	4	InChI=1S/C12H15ClN2O2/c1-15(2)12(17)10-5-3-9(4-6-10)8-14-11(16)7-13/h3-6H,7-8H2,1-2H3,(H,14,16)	CN(C)C(=O)C1=CC=C(C=C1)CNC(=O)CCl	CN(C)C(=O)C1=CC=C(C=C1)CNC(=O)CCl	ZYJYMDCXZLHUEK-UHFFFAOYSA-N	4-[[(2-chloroacetyl)amino]methyl]-N,N-dimethylbenzamide
LDCM0387	CL117	519889	2-[(chloroacetyl)amino]benzamide; 21721-78-8; 2-(2-chloroacetamido)benzamide; 2-(2-Chloro-acetylamino)-benzamide; 2-[(2-chloroacetyl)amino]benzamide; MFCD00031459; 2-(2-Chloroacetylamino)benzene; SCHEMBL10911824; 2-(2-chloroacetamido)-benzamide; DTXSID10334181; LCDQTZCLXUMOGO-UHFFFAOYSA-N; o-carbamoyl-alpha-chloroacetanilide; BBL013423; STK401900; AKOS000103385; Acetanilide, 2'-carbamoyl-2-chloro-,; 2'-CARBAMOYL-2-CHLOROACETANILIDE; VS-03825; CS-0206083; EN300-01776; SR-01000036881; SR-01000036881-1; Z56862614	212.63	C9H9ClN2O2	72.2	233	0.9	14	2	2	3	InChI=1S/C9H9ClN2O2/c10-5-8(13)12-7-4-2-1-3-6(7)9(11)14/h1-4H,5H2,(H2,11,14)(H,12,13)	C1=CC=C(C(=C1)C(=O)N)NC(=O)CCl	C1=CC=C(C(=C1)C(=O)N)NC(=O)CCl	LCDQTZCLXUMOGO-UHFFFAOYSA-N	2-[(2-chloroacetyl)amino]benzamide
LDCM0388	CL118	43244645	2-chloro-N-{[6-(morpholin-4-yl)pyridin-3-yl]methyl}acetamide; 1098347-71-7; 2-chloro-N-[(6-morpholin-4-ylpyridin-3-yl)methyl]acetamide; 2-CHLORO-N-([6-(MORPHOLIN-4-YL)PYRIDIN-3-YL]METHYL)ACETAMIDE; AKOS005923927; CS-0244584; EN300-28329; G51003; Z258588510	269.73	C12H16ClN3O2	54.5	272	0.7	18	1	4	4	InChI=1S/C12H16ClN3O2/c13-7-12(17)15-9-10-1-2-11(14-8-10)16-3-5-18-6-4-16/h1-2,8H,3-7,9H2,(H,15,17)	C1COCCN1C2=NC=C(C=C2)CNC(=O)CCl	C1COCCN1C2=NC=C(C=C2)CNC(=O)CCl	UZZTXPVHGVWKKN-UHFFFAOYSA-N	2-chloro-N-[(6-morpholin-4-ylpyridin-3-yl)methyl]acetamide
LDCM0389	CL119	47002124	2-chloro-N-(dicyclopropylmethyl)acetamide; 1240528-98-6; AKOS009132908; CS-0244573; EN300-28293; G23512; F8880-1708; Z258588314	187.66	C9H14ClNO	29.1	175	1.7	12	1	1	4	InChI=1S/C9H14ClNO/c10-5-8(12)11-9(6-1-2-6)7-3-4-7/h6-7,9H,1-5H2,(H,11,12)	C1CC1C(C2CC2)NC(=O)CCl	C1CC1C(C2CC2)NC(=O)CCl	GHRBQHSEYVRZNP-UHFFFAOYSA-N	2-chloro-N-(dicyclopropylmethyl)acetamide
LDCM0390	CL12	3058404	2-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide; 75228-74-9; 2-chloro-N-methyl-N-[(5-methyl-2-furyl)methyl]acetamide; Acetamide, 2-chloro-N-methyl-N-((5-methyl-2-furanyl)methyl)-; 2-Chloro-N-methyl-N-((5-methyl-2-furanyl)methyl)acetamide; DTXSID00226203; AKOS001275094; UPCMLD0ENAT5607943:001; CS-0240219; EN300-22681; G38620; F8880-8141; Z147647498	201.65	C9H12ClNO2	33.4	187	1.3	13	0	2	3	InChI=1S/C9H12ClNO2/c1-7-3-4-8(13-7)6-11(2)9(12)5-10/h3-4H,5-6H2,1-2H3	CC1=CC=C(O1)CN(C)C(=O)CCl	CC1=CC=C(O1)CN(C)C(=O)CCl	FWBLCAAYFDBWMO-UHFFFAOYSA-N	2-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
LDCM0391	CL120	42958532	2-chloro-N-(2-oxoazepan-3-yl)acetamide; 152266-99-4; AKOS008121657; CS-0247692; EN300-37195; G23654; F8880-6551; Z374049348	204.65	C8H13ClN2O2	58.2	208	0.4	13	2	2	2	InChI=1S/C8H13ClN2O2/c9-5-7(12)11-6-3-1-2-4-10-8(6)13/h6H,1-5H2,(H,10,13)(H,11,12)	C1CCNC(=O)C(C1)NC(=O)CCl	C1CCNC(=O)C(C1)NC(=O)CCl	BNYSTUVPISFYQV-UHFFFAOYSA-N	2-chloro-N-(2-oxoazepan-3-yl)acetamide
LDCM0392	CL121	107305	1-(Chloroacetyl)-2-methylpiperidine; 4593-18-4; 2-chloro-1-(2-methylpiperidin-1-yl)ethanone; 2-Chloro-1-(2-methyl-piperidin-1-yl)-ethanone; 2-chloro-1-(2-methylpiperidin-1-yl)ethan-1-one; EINECS 224-985-3; AI3-36302; SCHEMBL1150370; DTXSID80963462; WCZCFIKPRBDVOM-UHFFFAOYSA-N; MFCD03030353; STL140658; AKOS000266411; AKOS016050255; SB42651; Piperidine, 1-(chloroacetyl)-2-methyl-; CS-0116898; NS00048772; EN300-01967; AT-057/40380050; A1-50934; Z56853744; F2158-1299	175.65	C8H14ClNO	20.3	149	1.6	11	0	1	1	InChI=1S/C8H14ClNO/c1-7-4-2-3-5-10(7)8(11)6-9/h7H,2-6H2,1H3	CC1CCCCN1C(=O)CCl	CC1CCCCN1C(=O)CCl	WCZCFIKPRBDVOM-UHFFFAOYSA-N	2-chloro-1-(2-methylpiperidin-1-yl)ethanone
LDCM0393	CL122	593011	2-chloro-N-[2-(naphthalen-1-yl)ethyl]acetamide; 25055-69-0; 2-chloro-N-(2-naphthalen-1-ylethyl)acetamide; SCHEMBL4036596; MHEKVEIHVYANFA-UHFFFAOYSA-N; CS-0249959; Ethylamine, N-chloroacetyl-2-[1-naphthyl]-; EN300-47761; 2-Chloro-N-[2-(1-naphthyl)ethyl]acetamide #; G38105; Z561553450	247.72	C14H14ClNO	29.1	257	3.8	17	1	1	4	InChI=1S/C14H14ClNO/c15-10-14(17)16-9-8-12-6-3-5-11-4-1-2-7-13(11)12/h1-7H,8-10H2,(H,16,17)	C1=CC=C2C(=C1)C=CC=C2CCNC(=O)CCl	C1=CC=C2C(=C1)C=CC=C2CCNC(=O)CCl	MHEKVEIHVYANFA-UHFFFAOYSA-N	2-chloro-N-(2-naphthalen-1-ylethyl)acetamide
LDCM0394	CL123	17339302	2-chloro-N-(4-chloro-3-fluorophenyl)acetamide; 895641-02-8; CS-0249998; EN300-48432; Z445401080	222.04	C8H6Cl2FNO	29.1	191	2.8	13	1	2	2	InChI=1S/C8H6Cl2FNO/c9-4-8(13)12-5-1-2-6(10)7(11)3-5/h1-3H,4H2,(H,12,13)	C1=CC(=C(C=C1NC(=O)CCl)F)Cl	C1=CC(=C(C=C1NC(=O)CCl)F)Cl	MDWWEKZOGOWJJO-UHFFFAOYSA-N	2-chloro-N-(4-chloro-3-fluorophenyl)acetamide
LDCM0395	CL124	50987951	2-chloro-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethylacetamide; 1183707-12-1; CS-0249982; EN300-48125; Z561826190	254.69	C12H12ClFN2O	44.1	315	2	17	0	3	4	InChI=1S/C12H12ClFN2O/c1-2-16(12(17)6-13)8-10-4-3-9(7-15)5-11(10)14/h3-5H,2,6,8H2,1H3	CCN(CC1=C(C=C(C=C1)C#N)F)C(=O)CCl	CCN(CC1=C(C=C(C=C1)C#N)F)C(=O)CCl	MSBAYCXHBCVKMP-UHFFFAOYSA-N	2-chloro-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethylacetamide
LDCM0396	CL125	4143920	379254-90-7; 2-Chloro-1-(2,6-dimethyl-morpholin-4-yl)-ethanone; 2-Chloro-1-(2,6-dimethylmorpholino)ethanone; 2-chloro-1-(2,6-dimethylmorpholin-4-yl)ethanone; 4-(chloroacetyl)-2,6-dimethylmorpholine; 2-chloro-1-(2,6-dimethylmorpholin-4-yl)ethan-1-one; MORPHOLINE, 4-(CHLOROACETYL)-2,6-DIMETHYL- (9CI); SCHEMBL1150560; DTXSID40399864; SMTSEWHPTUIWBY-UHFFFAOYSA-N; MFCD03147309; AKOS000303104; AKOS017268937; CS-0451867; EN300-01773; 2-Chloro-1-(2,6-dimethylmorpholino)ethan-1-one; Morpholine,4-(chloroacetyl)-2,6-dimethyl-(9ci); Z56862618; F2190-0242	191.65	C8H14ClNO2	29.5	164	0.8	12	0	2	1	InChI=1S/C8H14ClNO2/c1-6-4-10(8(11)3-9)5-7(2)12-6/h6-7H,3-5H2,1-2H3	CC1CN(CC(O1)C)C(=O)CCl	CC1CN(CC(O1)C)C(=O)CCl	SMTSEWHPTUIWBY-UHFFFAOYSA-N	2-chloro-1-(2,6-dimethylmorpholin-4-yl)ethanone
LDCM0397	CL126	56923582	N-[3-(2-chloroacetamido)phenyl]benzamide; 1233188-83-4; N-{3-[(chloroacetyl)amino]phenyl}benzamide; N-[3-[(2-chloroacetyl)amino]phenyl]benzamide; MFCD20492081; STL199322; AKOS022061251; EN300-48822; G58731; Z567116784	288.73	C15H13ClN2O2	58.2	343	2.4	20	2	2	4	InChI=1S/C15H13ClN2O2/c16-10-14(19)17-12-7-4-8-13(9-12)18-15(20)11-5-2-1-3-6-11/h1-9H,10H2,(H,17,19)(H,18,20)	C1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)NC(=O)CCl	C1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)NC(=O)CCl	DWNHTHNQFOAYLP-UHFFFAOYSA-N	N-[3-[(2-chloroacetyl)amino]phenyl]benzamide
LDCM0398	CL127	50988900	2-chloro-N-{[3-(2-oxopyrrolidin-1-yl)phenyl]methyl}acetamide; 1269152-12-6; 2-chloro-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide; 2-Chloro-n-([3-(2-oxopyrrolidin-1-yl)phenyl]methyl)acetamide; CS-0249976; EN300-48002; Z561727034	266.72	C13H15ClN2O2	49.4	322	1.1	18	1	2	4	InChI=1S/C13H15ClN2O2/c14-8-12(17)15-9-10-3-1-4-11(7-10)16-6-2-5-13(16)18/h1,3-4,7H,2,5-6,8-9H2,(H,15,17)	C1CC(=O)N(C1)C2=CC=CC(=C2)CNC(=O)CCl	C1CC(=O)N(C1)C2=CC=CC(=C2)CNC(=O)CCl	RSVQFDBYPXKWRZ-UHFFFAOYSA-N	2-chloro-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
LDCM0399	CL128	45791361	2-chloro-N-[2-oxo-2-(pyrrolidin-1-yl)ethyl]acetamide; 1193388-11-2; 2-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide; DTXSID001222996; AKOS022340965; CS-0244587; EN300-28340; G32232; 2-Chloro-N-[2-oxo-2-(1-pyrrolidinyl)ethyl]acetamide; Z258588558	204.65	C8H13ClN2O2	49.4	202	0.2	13	1	2	3	InChI=1S/C8H13ClN2O2/c9-5-7(12)10-6-8(13)11-3-1-2-4-11/h1-6H2,(H,10,12)	C1CCN(C1)C(=O)CNC(=O)CCl	C1CCN(C1)C(=O)CNC(=O)CCl	OXFMORMLCANNFF-UHFFFAOYSA-N	2-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
LDCM0400	CL13	2560596	852389-06-1; 2-chloro-N-{1,7-dimethyl-4-oxo-3H,4H-furo[3,4-d]pyridazin-5-yl}acetamide; 2-chloro-N-(1,7-dimethyl-4-oxo-3,4-dihydrofuro[3,4-d]pyridazin-5-yl)acetamide; 2-chloro-N-(4,5-dimethyl-1-oxo-2H-furo[3,4-d]pyridazin-7-yl)acetamide; AKOS030752669; CS-0232364; EN300-12703; G30239; SR-01000065842; SR-01000065842-1; Z85921951	255.66	C10H10ClN3O3	83.7	385	1.2	17	2	4	2	InChI=1S/C10H10ClN3O3/c1-4-7-5(2)17-10(12-6(15)3-11)8(7)9(16)14-13-4/h3H2,1-2H3,(H,12,15)(H,14,16)	CC1=C2C(=NNC(=O)C2=C(O1)NC(=O)CCl)C	CC1=C2C(=NNC(=O)C2=C(O1)NC(=O)CCl)C	NLHCJPFFSRFOAL-UHFFFAOYSA-N	2-chloro-N-(4,5-dimethyl-1-oxo-2H-furo[3,4-d]pyridazin-7-yl)acetamide
LDCM0401	CL14	16227173	2-chloro-N-[4-(methylsulfonyl)phenyl]acetamide; 572882-25-8; 2-Chloro-N-(4-(methylsulfonyl)phenyl)acetamide; 2-chloro-N-(4-methanesulfonylphenyl)acetamide; 2-chloro-N-(4-methylsulfonylphenyl)acetamide; SCHEMBL7289377; MFCD06409118; STL185534; AKOS000202908; UPCMLD0ENAT5706022:001; CS-0242166; EN300-24565; G63115; J-509130; J-524246; Z199423514	247.7	C9H10ClNO3S	71.6	315	1.2	15	1	3	3	InChI=1S/C9H10ClNO3S/c1-15(13,14)8-4-2-7(3-5-8)11-9(12)6-10/h2-5H,6H2,1H3,(H,11,12)	CS(=O)(=O)C1=CC=C(C=C1)NC(=O)CCl	CS(=O)(=O)C1=CC=C(C=C1)NC(=O)CCl	HNTBRCDGAKVWJX-UHFFFAOYSA-N	2-chloro-N-(4-methylsulfonylphenyl)acetamide
LDCM0402	CL15	39869434	1087792-03-7; 3-[1-(chloroacetyl)-1,2,3,6-tetrahydropyridin-4-yl]-1H-indole; 2-chloro-1-[4-(1H-indol-3-yl)-1,2,3,6-tetrahydropyridin-1-yl]ethan-1-one; 2-chloro-1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone; AKOS030652839; EN300-28462; G32209; Z258606284	274.74	C15H15ClN2O	36.1	382	2.3	19	1	1	2	InChI=1S/C15H15ClN2O/c16-9-15(19)18-7-5-11(6-8-18)13-10-17-14-4-2-1-3-12(13)14/h1-5,10,17H,6-9H2	C1CN(CC=C1C2=CNC3=CC=CC=C32)C(=O)CCl	C1CN(CC=C1C2=CNC3=CC=CC=C32)C(=O)CCl	POXVSAPYKCBJHI-UHFFFAOYSA-N	2-chloro-1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
LDCM0403	CL16	2512520	2-chloro-N-(1-cyanocyclopentyl)acetamide; 78734-65-3; 2-Chloro-N-(1-cyano-cyclopentyl)-acetamide; MFCD06357846; SCHEMBL11253656; AKOS005254257; EN300-09487; G24008; Z56346983; F8889-4515	186.64	C8H11ClN2O	52.9	225	1	12	1	2	2	InChI=1S/C8H11ClN2O/c9-5-7(12)11-8(6-10)3-1-2-4-8/h1-5H2,(H,11,12)	C1CCC(C1)(C#N)NC(=O)CCl	C1CCC(C1)(C#N)NC(=O)CCl	UVKBLHXZVPGUPL-UHFFFAOYSA-N	2-chloro-N-(1-cyanocyclopentyl)acetamide
LDCM0404	CL17	39869437	1087784-16-4; 2-chloro-1-{1H,2H,3H,4H,5H-pyrido[4,3-b]indol-2-yl}ethan-1-one; 2-chloro-1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethanone; 2-Chloro-1-(1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)ethan-1-one; 2-CHLORO-1-(1H,2H,3H,4H,5H-PYRIDO[4,3-B]INDOL-2-YL)ETHAN-1-ONE; 2-(chloroacetyl)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole; AKOS008099329; CS-0244610; EN300-28509; G39245; Z258606508; 2-CHLORO-1-{1H,3H,4H,5H-PYRIDO[4,3-B]INDOL-2-YL}ETHANONE	248.71	C13H13ClN2O	36.1	310	2	17	1	1	1	InChI=1S/C13H13ClN2O/c14-7-13(17)16-6-5-12-10(8-16)9-3-1-2-4-11(9)15-12/h1-4,15H,5-8H2	C1CN(CC2=C1NC3=CC=CC=C23)C(=O)CCl	C1CN(CC2=C1NC3=CC=CC=C23)C(=O)CCl	ACUYDSXGSCBUJP-UHFFFAOYSA-N	2-chloro-1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethanone
LDCM0405	CL18	43298711	2-chloro-N-(cyclobutylmethyl)acetamide; 1095592-81-6; AKOS009437433; EN300-72861; G50980; Z411906316	161.63	C7H12ClNO	29.1	123	1.4	10	1	1	3	InChI=1S/C7H12ClNO/c8-4-7(10)9-5-6-2-1-3-6/h6H,1-5H2,(H,9,10)	C1CC(C1)CNC(=O)CCl	C1CC(C1)CNC(=O)CCl	IFFTTXLMPIOZEP-UHFFFAOYSA-N	2-chloro-N-(cyclobutylmethyl)acetamide
LDCM0406	CL19	23575063	2-chloro-N-[(4-cyanophenyl)methyl]acetamide; 340732-46-9; 2-chloro-n-(4-cyanobenzyl)acetamide; SCHEMBL5315364; AKOS009320190; DB-330230; EN300-37700; G40339; Z381548296	208.64	C10H9ClN2O	52.9	238	1.4	14	1	2	3	InChI=1S/C10H9ClN2O/c11-5-10(14)13-7-9-3-1-8(6-12)2-4-9/h1-4H,5,7H2,(H,13,14)	C1=CC(=CC=C1CNC(=O)CCl)C#N	C1=CC(=CC=C1CNC(=O)CCl)C#N	HKDMTHMREWXLBS-UHFFFAOYSA-N	2-chloro-N-[(4-cyanophenyl)methyl]acetamide
LDCM0407	CL2	2104083	4-[(chloroacetyl)amino]-N,N-dimethylbenzamide; 747411-56-9; 4-(2-chloroacetamido)-N,N-dimethylbenzamide; 4-[(2-chloroacetyl)amino]-N,N-dimethylbenzamide; AKOS001052842; EN300-09553; G38602; J-514209; Z56979396	240.68	C11H13ClN2O2	49.4	261	1.2	16	1	2	3	InChI=1S/C11H13ClN2O2/c1-14(2)11(16)8-3-5-9(6-4-8)13-10(15)7-12/h3-6H,7H2,1-2H3,(H,13,15)	CN(C)C(=O)C1=CC=C(C=C1)NC(=O)CCl	CN(C)C(=O)C1=CC=C(C=C1)NC(=O)CCl	DDTWPYQAIJYIGK-UHFFFAOYSA-N	4-[(2-chloroacetyl)amino]-N,N-dimethylbenzamide
LDCM0408	CL20	246658	2-chloro-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)acetamide; 3608-86-4; 2-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide; NSC59997; 2-Chloro-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-acetamide; DTXSID80289255; MFCD00020781; NSC-59997; STK060825; AKOS000271422; MS-7905; CS-0307531; EN300-01675; SR-01000367641; SR-01000367641-1; Z56753979; 2-CHLORO-N~1~-(1,5-DIMETHYL-3-OXO-2-PHENYL-2,3-DIHYDRO-1H-PYRAZOL-4-YL)ACETAMIDE; N-(2,3-DIMETHYL-5-OXO-1-PHENYL(3-PYRAZOLIN-4-YL))-2-CHLOROETHANAMIDE	279.72	C13H14ClN3O2	52.6	416	0.6	19	1	3	3	InChI=1S/C13H14ClN3O2/c1-9-12(15-11(18)8-14)13(19)17(16(9)2)10-6-4-3-5-7-10/h3-7H,8H2,1-2H3,(H,15,18)	CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CCl	CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CCl	FFEHHJFDJVQCCX-UHFFFAOYSA-N	2-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide
LDCM0409	CL21	5151801	1013-18-9; 1-(chloroacetyl)-2-methylindoline; 2-chloro-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone; 2-Chloro-1-(2-methylindolin-1-yl)ethanone; 2-Chloro-1-(2-methyl-2,3-dihydro-indol-1-yl)-ethanone; 2-Chloro-1-(2-methyl-2,3-dihydro-1H-indol-1-yl)ethan-1-one; SCHEMBL11438312; 2-chloro-1-(2-methyl-2,3-dihydro-1H-indol-1-yl)ethanone; DTXSID90408879; Ethanone, 2-chloro-1-(2,3-dihydro-2-methyl-1H-indol-1-yl)-; MFCD03147354; STL199135; AKOS000430993; AKOS016042050; SB64197; LS-04414; EN300-01632; SR-01000037793; SR-01000037793-1; Z56869453; 2-CHLORO-1-(2-METHYL-2,3-DIHYDRO-1H-INDOL-1-YL)-1-ETHANONE	209.67	C11H12ClNO	20.3	231	2.4	14	0	1	1	InChI=1S/C11H12ClNO/c1-8-6-9-4-2-3-5-10(9)13(8)11(14)7-12/h2-5,8H,6-7H2,1H3	CC1CC2=CC=CC=C2N1C(=O)CCl	CC1CC2=CC=CC=C2N1C(=O)CCl	FVXKYKPCJPPTCB-UHFFFAOYSA-N	2-chloro-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
LDCM0410	CL22	2303715	2-chloro-N-(3,4-dimethoxyphenyl)acetamide; 62593-78-6; 2-Chloro-N-(3,4-dimethoxy-phenyl)-acetamide; MFCD00751170; SCHEMBL20679550; DTXSID90367891; BBL007610; STK408665; AKOS000115663; BS-10278; CS-0218699; EN300-01754; G32690; Z56896282	229.66	C10H12ClNO3	47.6	213	2	15	1	3	4	InChI=1S/C10H12ClNO3/c1-14-8-4-3-7(5-9(8)15-2)12-10(13)6-11/h3-5H,6H2,1-2H3,(H,12,13)	COC1=C(C=C(C=C1)NC(=O)CCl)OC	COC1=C(C=C(C=C1)NC(=O)CCl)OC	KOBDAPRVHVIWAE-UHFFFAOYSA-N	2-chloro-N-(3,4-dimethoxyphenyl)acetamide
LDCM0411	CL23	265741	2-chloro-N-(4-chlorobenzyl)acetamide; 99585-88-3; 2-chloro-N-[(4-chlorophenyl)methyl]acetamide; MFCD00018915; NSC102125; NCIOpen2_006840; SCHEMBL4035227; DTXSID50295464; STK415086; AKOS000264707; N-(4-chlorobenzyl)-2-chloroacetamide; NSC-102125; 2-Chloro-N-(4-chloro-benzyl)-acetamide; DB-057791; CS-0218636; EN300-01582; 9G-915; 2-CHLORO-N~1~-(4-CHLOROBENZYL)ACETAMIDE; J-509078; Z56896171	218.08	C9H9Cl2NO	29.1	167	2.3	13	1	1	3	InChI=1S/C9H9Cl2NO/c10-5-9(13)12-6-7-1-3-8(11)4-2-7/h1-4H,5-6H2,(H,12,13)	C1=CC(=CC=C1CNC(=O)CCl)Cl	C1=CC(=CC=C1CNC(=O)CCl)Cl	OGCPMNAEQFAPHN-UHFFFAOYSA-N	2-chloro-N-[(4-chlorophenyl)methyl]acetamide
LDCM0412	CL24	70798	2-Chloro-N-(2,6-dimethylphenyl)acetamide; 1131-01-7; 2-Chloro-2',6'-dimethylacetanilide; 2-Chloro-2',6'-acetoxylidide; N-(2,6-dimethylphenyl)chloroacetamide; N-Chloroacetyl-2,6-dimethylaniline; Chloroaceto-2,6-xylidide; Acetamide, 2-chloro-N-(2,6-dimethylphenyl)-; Chloroacetamido-2,6-xylidine; 1-Chloroacetylamino-2,6-dimethylbenzene; N-(2,6-dimethylphenyl)-2-chloroacetamide; 2-Chloroaceto-2,6-xylidide; N-Chloracetyl-2,6-dimethylaniline; 2',6'-Acetoxylidide, 2-chloro-; 2-Chloro-N-(2,6-dimethyl-phenyl)-acetamide; NSC 37260; 5D2B69OAPX; MFCD00000926; NSC-37260; UNII-5D2B69OAPX; 2-Chloro-2,6-dimethylacetanilide; EINECS 214-460-7; alpha-Chloro-2,6-dimethylacetanilide; 2', 2-chloro-; Lidocaine EP Impurity H; Chloroacet-2,6-xylidide; [(2,6-dimethylphenyl)aminocarbonylmethyl]chloride; SCHEMBL307790; DTXSID4061545; NSC37260; N-chloroacetyl-2,6-dimethyl-aniline; STK117556; AKOS000263367; AC-5904; N-(2,6-dimethylphenyl) chloroacetamide; N-(2,6dimethylphenyl)2-chloroacetamide; 2-chloro-N(2,6-dimethylphenyl)acetamide; N-(2,6dimethylphenyl)-2-chloroacetamide; NCGC00334868-01; 2,6-dimethylphenylcarbamoylmethyl chloride; SY020968; LIDOCAINE IMPURITY H [EP IMPURITY]; 2-chloro-N-(2,6-dimethylphenyl) acetamide; 2-chloro-N-(2,6-dimethylphenyl)-acetamide; N-(2,6-dimethylphenyl)-2-chloro-acetamide; 2',6'-DIMETHYL-2-CHLOROACETANILIDE; 2-chloro-N-(2',6'-dimethylphenyl)acetamide; AM20060255; C2307; CS-0116497; NS00015769; EN300-17645; N-(2,6-dimethylphenyl)-alpha-chloroacetamide; N-(2,6-Dimethylphenyl)chloroacetamide, 99%; A24910; AB01326584-02; [(2,6-dimethylphenyl)aminocarbonylmethyl]-chloride; 3R-1506; A802724; N-(2,6-DIMETHYLPHENYL)-2-CHLOROETHANAMIDE; W-108627; Q27261854; Z56969355; LIDOCAINE HYDROCHLORIDE IMPURITY H [EP IMPURITY]; 2-Chloro-2',6'-acetoxylidide; N-(Chloroacetyl)-2,6-diethylaniline; InChI=1/C10H12ClNO/c1-7-4-3-5-8(2)10(7)12-9(13)6-11/h3-5H,6H2,1-2H3,(H,12,13	197.66	C10H12ClNO	29.1	174	1.9	13	1	1	2	InChI=1S/C10H12ClNO/c1-7-4-3-5-8(2)10(7)12-9(13)6-11/h3-5H,6H2,1-2H3,(H,12,13)	CC1=C(C(=CC=C1)C)NC(=O)CCl	CC1=C(C(=CC=C1)C)NC(=O)CCl	FPQQSNUTBWFFLB-UHFFFAOYSA-N	2-chloro-N-(2,6-dimethylphenyl)acetamide
LDCM0413	CL25	4962000	2-chloro-N-[3-cyano-1-(2-furylmethyl)-4,5-dimethyl-1H-pyrrol-2-yl]acetamide; 852217-67-5; 2-chloro-N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethyl-1H-pyrrol-2-yl]acetamide; 2-chloro-N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]acetamide; 2-Chloro-N-(3-cyano-1-(furan-2-ylmethyl)-4,5-dimethyl-1H-pyrrol-2-yl)acetamide; AKOS027427156; CS-0232061; EN300-12620; G38733; SR-01000066292; J-509123; SR-01000066292-1; Z85936202; 2-chloro-N-{3-cyano-1-[(furan-2-yl)methyl]-4,5-dimethyl-1H-pyrrol-2-yl}acetamide	291.73	C14H14ClN3O2	71	409	2.5	20	1	3	4	InChI=1S/C14H14ClN3O2/c1-9-10(2)18(8-11-4-3-5-20-11)14(12(9)7-16)17-13(19)6-15/h3-5H,6,8H2,1-2H3,(H,17,19)	CC1=C(N(C(=C1C#N)NC(=O)CCl)CC2=CC=CO2)C	CC1=C(N(C(=C1C#N)NC(=O)CCl)CC2=CC=CO2)C	YFLFNIONEHANRI-UHFFFAOYSA-N	2-chloro-N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]acetamide
LDCM0414	CL26	16227017	2-chloro-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide; 916203-05-9; AKOS000199219; CS-0241582; EN300-23455; G54063; Z147648024; 2-chloro-N-(2-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)ethyl)acetamide	255.7	C12H14ClNO3	47.6	262	1	17	1	3	4	InChI=1S/C12H14ClNO3/c13-8-12(15)14-4-3-9-1-2-10-11(7-9)17-6-5-16-10/h1-2,7H,3-6,8H2,(H,14,15)	C1COC2=C(O1)C=CC(=C2)CCNC(=O)CCl	C1COC2=C(O1)C=CC(=C2)CCNC(=O)CCl	ZVGOYSQODIHJCA-UHFFFAOYSA-N	2-chloro-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide
LDCM0415	CL27	39869414	2-chloro-N-{[2-(dimethylsulfamoyl)phenyl]methyl}acetamide; 1110909-17-5; 2-chloro-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide; 2-chloro-N-{2-[(dimethylamino)sulfonyl]benzyl}acetamide; 2-CHLORO-N-([2-(DIMETHYLSULFAMOYL)PHENYL]METHYL)ACETAMIDE; AKOS008099212; EN300-28306; G51025; Z258588408	290.77	C11H15ClN2O3S	74.9	378	0.8	18	1	4	5	InChI=1S/C11H15ClN2O3S/c1-14(2)18(16,17)10-6-4-3-5-9(10)8-13-11(15)7-12/h3-6H,7-8H2,1-2H3,(H,13,15)	CN(C)S(=O)(=O)C1=CC=CC=C1CNC(=O)CCl	CN(C)S(=O)(=O)C1=CC=CC=C1CNC(=O)CCl	YKUUDRILQVDFQC-UHFFFAOYSA-N	2-chloro-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide
LDCM0416	CL28	2546121	2-chloro-N-[5-chloro-2-(1H-1,2,4-triazol-1-yl)phenyl]acetamide; 792953-83-4; 2-chloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]acetamide; 2-Chloro-N-(5-chloro-2-(1H-1,2,4-triazol-1-yl)phenyl)acetamide; MFCD06362450; STL191143; AKOS000118609; CS-0222616; EN300-11197; G28184; J-509134; Z57040453	271.1	C10H8Cl2N4O	59.8	279	2.1	17	1	3	3	InChI=1S/C10H8Cl2N4O/c11-4-10(17)15-8-3-7(12)1-2-9(8)16-6-13-5-14-16/h1-3,5-6H,4H2,(H,15,17)	C1=CC(=C(C=C1Cl)NC(=O)CCl)N2C=NC=N2	C1=CC(=C(C=C1Cl)NC(=O)CCl)N2C=NC=N2	VQBLRHXAMVYQPW-UHFFFAOYSA-N	2-chloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]acetamide
LDCM0417	CL29	3848953	2-(2-chloroacetyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid; 1009185-81-2; 2-(2-Chloro-acetyl)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid; 2-(2-chloroacetyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic Acid; SR-01000044101; MLS000773380; (S)-2-(2-Chloroacetyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid; CHEMBL1570571; HMS2674H08; AKOS002797195; AKOS016118611; SMR000364089; CS-0219886; EN300-05216; SR-01000044101-1; SR-01000044101-3; Z56922126; 2-(2-chloroacetyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylicacid	253.68	C12H12ClNO3	57.6	321	1.5	17	1	3	2	InChI=1S/C12H12ClNO3/c13-6-11(15)14-7-9-4-2-1-3-8(9)5-10(14)12(16)17/h1-4,10H,5-7H2,(H,16,17)	C1C(N(CC2=CC=CC=C21)C(=O)CCl)C(=O)O	C1C(N(CC2=CC=CC=C21)C(=O)CCl)C(=O)O	VLTRMJIHFUUWHZ-UHFFFAOYSA-N	2-(2-chloroacetyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
LDCM0418	CL3	42940860	2-chloro-N-[1-(4-chlorophenyl)propyl]acetamide; 40023-27-6; AKOS008099183; CS-0244575; EN300-28303; G23860; Z258588390	246.13	C11H13Cl2NO	29.1	203	3.2	15	1	1	4	InChI=1S/C11H13Cl2NO/c1-2-10(14-11(15)7-12)8-3-5-9(13)6-4-8/h3-6,10H,2,7H2,1H3,(H,14,15)	CCC(C1=CC=C(C=C1)Cl)NC(=O)CCl	CCC(C1=CC=C(C=C1)Cl)NC(=O)CCl	WDGQEEFEABQVJJ-UHFFFAOYSA-N	2-chloro-N-[1-(4-chlorophenyl)propyl]acetamide
LDCM0419	CL30	676598	14949-06-5; 2-chloro-N-(4-methylbenzenesulfonyl)acetamide; N-(2-chloroacetyl)-p-toluenesulfonamide; 2-chloro-N-(4-methylphenyl)sulfonylacetamide; 2-Chloro-N-tosylacetamide; Acetamide, 2-chloro-N-[(4-methylphenyl)sulfonyl]-; tosylamino chloromethyl ketone; SCHEMBL2635660; DTXSID70350322; OBAYRAODJNHZNW-UHFFFAOYSA-N; AKOS002239779; N-(chloroacetyl)-4-methylbenzenesulfonamide; CS-0237940; EN300-188259; Z56754579	247.7	C9H10ClNO3S	71.6	315	1.7	15	1	3	3	InChI=1S/C9H10ClNO3S/c1-7-2-4-8(5-3-7)15(13,14)11-9(12)6-10/h2-5H,6H2,1H3,(H,11,12)	CC1=CC=C(C=C1)S(=O)(=O)NC(=O)CCl	CC1=CC=C(C=C1)S(=O)(=O)NC(=O)CCl	OBAYRAODJNHZNW-UHFFFAOYSA-N	2-chloro-N-(4-methylphenyl)sulfonylacetamide
LDCM0420	CL31	47002695	2-chloro-N-[3-(thiomorpholine-4-carbonyl)phenyl]acetamide; 1221724-55-5; 2-chloro-N-{3-[(thiomorpholin-4-yl)carbonyl]phenyl}acetamide; DTXSID301198291; AKOS033429361; PD194672; CS-0252648; EN300-61073; G39511; Z959250156; 2-Chloro-N-[3-(4-thiomorpholinylcarbonyl)phenyl]acetamide	298.79	C13H15ClN2O2S	74.7	335	1.6	19	1	3	3	InChI=1S/C13H15ClN2O2S/c14-9-12(17)15-11-3-1-2-10(8-11)13(18)16-4-6-19-7-5-16/h1-3,8H,4-7,9H2,(H,15,17)	C1CSCCN1C(=O)C2=CC(=CC=C2)NC(=O)CCl	C1CSCCN1C(=O)C2=CC(=CC=C2)NC(=O)CCl	RHBIDVWBWSYYGD-UHFFFAOYSA-N	2-chloro-N-[3-(thiomorpholine-4-carbonyl)phenyl]acetamide
LDCM0421	CL32	296347	2-chloro-N-(2,3-dimethylphenyl)acetamide; 2564-07-0; 2-Chloro-N-(2,3-dimethyl-phenyl)-acetamide; MFCD00018895; 2-chloro-n-(2,3-dimethyl-phenyl)acetamide; 2-Chloro-2',3'-acetoxylidide; Acetamide,2-chloro-N-(2,3-dimethylphenyl)-; NSC166431; Acetamide, 2-chloro-N-(2,3-dimethylphenyl)-; SCHEMBL4002461; DTXSID20304597; JS-202C; STK115919; AKOS000266283; NSC-166431; NCGC00336753-01; SY079701; DB-046744; CS-0116495; EN300-01790; D83888; AB01330520-02; AT-057/40164814; J-509049; Z56755217	197.66	C10H12ClNO	29.1	184	2	13	1	1	2	InChI=1S/C10H12ClNO/c1-7-4-3-5-9(8(7)2)12-10(13)6-11/h3-5H,6H2,1-2H3,(H,12,13)	CC1=C(C(=CC=C1)NC(=O)CCl)C	CC1=C(C(=CC=C1)NC(=O)CCl)C	UAXPAYVQIXNSHW-UHFFFAOYSA-N	2-chloro-N-(2,3-dimethylphenyl)acetamide
LDCM0422	CL33	920003	6202-74-0; 2-chloro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide; 2-Chloro-N-[4-(4-methoxy-phenyl)-thiazol-2-yl]-acetamide; 2-Chloro-N-(4-(4-methoxyphenyl)thiazol-2-yl)acetamide; 2-chloro-n-(4-(4-methoxyphenyl)-1,3-thiazol-2-yl)acetamide; DTXSID70358863; MFCD01922982; STK056001; AKOS000115704; AS-70180; 2-chloroacetamido-4-p-methoxyphenylthiazole; CS-0061979; EN300-01956; W17887; SR-01000364273; SR-01000364273-1; Z56887787	282.75	C12H11ClN2O2S	79.5	285	2.7	18	1	4	4	InChI=1S/C12H11ClN2O2S/c1-17-9-4-2-8(3-5-9)10-7-18-12(14-10)15-11(16)6-13/h2-5,7H,6H2,1H3,(H,14,15,16)	COC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CCl	COC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CCl	TUHPWXHMMCWTON-UHFFFAOYSA-N	2-chloro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
LDCM0423	CL34	776663	2-chloro-N-(5-chloro-2-methoxyphenyl)acetamide; 35588-41-1; MFCD00157382; SCHEMBL9468747; DTXSID30354583; STK300084; AKOS000266444; BS-10269; 2,5'-DICHLORO-2'-METHOXYACETANILIDE; CS-0307532; EN300-01685; Z56896294	234.08	C9H9Cl2NO2	38.3	201	2.6	14	1	2	3	InChI=1S/C9H9Cl2NO2/c1-14-8-3-2-6(11)4-7(8)12-9(13)5-10/h2-4H,5H2,1H3,(H,12,13)	COC1=C(C=C(C=C1)Cl)NC(=O)CCl	COC1=C(C=C(C=C1)Cl)NC(=O)CCl	SPULYDBQXNEJJC-UHFFFAOYSA-N	2-chloro-N-(5-chloro-2-methoxyphenyl)acetamide
LDCM0424	CL35	4962435	853723-87-2; 2-chloro-1-{4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl}ethan-1-one; 2-chloro-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone; 2-Chloro-1-(4-((2-methylthiazol-4-yl)methyl)piperazin-1-yl)ethan-1-one; 2-CHLORO-1-(4-[(2-METHYL-1,3-THIAZOL-4-YL)METHYL]PIPERAZIN-1-YL)ETHAN-1-ONE; 1-(chloroacetyl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine; AKOS009003637; CS-0293527; EN300-13442; G40760; SR-01000069781; SR-01000069781-1; Z90120421	273.78	C11H16ClN3OS	64.7	271	1.1	17	0	4	3	InChI=1S/C11H16ClN3OS/c1-9-13-10(8-17-9)7-14-2-4-15(5-3-14)11(16)6-12/h8H,2-7H2,1H3	CC1=NC(=CS1)CN2CCN(CC2)C(=O)CCl	CC1=NC(=CS1)CN2CCN(CC2)C(=O)CCl	VHSRJGNTRGGGTA-UHFFFAOYSA-N	2-chloro-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone
LDCM0425	CL36	16227188	2-chloro-N-(8-chloro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide; 930395-68-9; 2-chloro-N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetamide; DTXSID701160189; AKOS000118084; UPCMLD0ENAT5878230:001; CS-0242213; EN300-24612; G54110; Z199423776	276.11	C11H11Cl2NO3	47.6	277	2.4	17	1	3	2	InChI=1S/C11H11Cl2NO3/c12-6-11(15)14-8-5-10-9(4-7(8)13)16-2-1-3-17-10/h4-5H,1-3,6H2,(H,14,15)	C1COC2=C(C=C(C(=C2)NC(=O)CCl)Cl)OC1	C1COC2=C(C=C(C(=C2)NC(=O)CCl)Cl)OC1	JGDWWKNQQXJVIA-UHFFFAOYSA-N	2-chloro-N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetamide
LDCM0426	CL37	4868340	2-chloro-N-[(4-methoxyphenyl)methyl]-N-methylacetamide; 851169-12-5; MLS000771949; CHEMBL1378421; HMS2700G06; BJB16912; AKOS009003246; SMR000376484; EN300-10925; G38716; Z90122554	227.69	C11H14ClNO2	29.5	203	1.8	15	0	2	4	InChI=1S/C11H14ClNO2/c1-13(11(14)7-12)8-9-3-5-10(15-2)6-4-9/h3-6H,7-8H2,1-2H3	CN(CC1=CC=C(C=C1)OC)C(=O)CCl	CN(CC1=CC=C(C=C1)OC)C(=O)CCl	RLSMTAIXCJTUHH-UHFFFAOYSA-N	2-chloro-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
LDCM0427	Fragment51	856019	121221-08-7; 2-chloro-N-quinolin-5-ylacetamide; 2-Chloro-N-(quinolin-5-yl)acetamide; 2-Chloro-N-5-quinolinylacetamide; Acetamide,2-chloro-N-5-quinolinyl-; 2-Chloro-N-quinolin-5-yl-acetamide; MLS000567559; SCHEMBL4865337; CHEMBL1336286; DTXSID70357639; IQXGPGINYWVRSU-UHFFFAOYSA-N; HMS2533L13; WEA22108; MFCD02049243; AKOS000118035; 2-chloro-N-(quinolin-5-yl) acetamide; SB70540; BS-53331; SMR000176969; DB-028457; CS-0242833; EN300-25585; E84138; Z212044048	220.65	C11H9ClN2O	42	235	2.4	15	1	2	2	InChI=1S/C11H9ClN2O/c12-7-11(15)14-10-5-1-4-9-8(10)3-2-6-13-9/h1-6H,7H2,(H,14,15)	C1=CC2=C(C=CC=N2)C(=C1)NC(=O)CCl	C1=CC2=C(C=CC=N2)C(=C1)NC(=O)CCl	IQXGPGINYWVRSU-UHFFFAOYSA-N	2-chloro-N-quinolin-5-ylacetamide
LDCM0428	CL39	19581348	2-chloro-N-(2-methyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)acetamide; 828299-84-9; 2-chloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide; STK350587; AKOS000167635; CS-0240204; EN300-22670; F73577; Z147647196	252.65	C11H9ClN2O3	66.5	372	0.7	17	1	3	2	InChI=1S/C11H9ClN2O3/c1-14-10(16)7-3-2-6(13-9(15)5-12)4-8(7)11(14)17/h2-4H,5H2,1H3,(H,13,15)	CN1C(=O)C2=C(C1=O)C=C(C=C2)NC(=O)CCl	CN1C(=O)C2=C(C1=O)C=C(C=C2)NC(=O)CCl	NKDMKULFMVHJPU-UHFFFAOYSA-N	2-chloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
LDCM0429	CL4	249708	2-chloro-N-(4-chloro-2-methylphenyl)acetamide; 62593-77-5; N1-(4-chloro-2-methylphenyl)-2-chloroacetamide; MFCD00018906; NSC68290; NCIOpen2_003231; SCHEMBL10603640; DTXSID00290363; NSC-68290; STK117070; AKOS000117543; LS-04103; DB-054207; CS-0221618; EN300-09608; F50777; Z56346812	218.08	C9H9Cl2NO	29.1	187	2.6	13	1	1	2	InChI=1S/C9H9Cl2NO/c1-6-4-7(11)2-3-8(6)12-9(13)5-10/h2-4H,5H2,1H3,(H,12,13)	CC1=C(C=CC(=C1)Cl)NC(=O)CCl	CC1=C(C=CC(=C1)Cl)NC(=O)CCl	ACXNFUUNASEIHZ-UHFFFAOYSA-N	2-chloro-N-(4-chloro-2-methylphenyl)acetamide
LDCM0430	CL40	2566070	2-chloro-N-{[1-(dimethylamino)cyclohexyl]methyl}acetamide; 793727-78-3; 2-chloro-N-[[1-(dimethylamino)cyclohexyl]methyl]acetamide; 2-Chloro-N-((1-(dimethylamino)cyclohexyl)methyl)acetamide; AKOS000533177; CS-0295120; EN300-11409; G38675; Z57044257	232.75	C11H21ClN2O	32.299	213	1.8	15	1	2	4	InChI=1S/C11H21ClN2O/c1-14(2)11(6-4-3-5-7-11)9-13-10(15)8-12/h3-9H2,1-2H3,(H,13,15)	CN(C)C1(CCCCC1)CNC(=O)CCl	CN(C)C1(CCCCC1)CNC(=O)CCl	ICIGXMKPOAIAKM-UHFFFAOYSA-N	2-chloro-N-[[1-(dimethylamino)cyclohexyl]methyl]acetamide
LDCM0431	CL41	16642938	928001-91-6; 2-chloro-N-(1,1-dioxo-2,3-dihydro-1lambda6-thiophen-3-yl)-N-(4-methylphenyl)acetamide; 2-chloro-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-methylphenyl)acetamide; 2-Chloro-N-(1,1-dioxido-2,3-dihydrothiophen-3-yl)-N-(p-tolyl)acetamide; AKOS002674659; AKOS016046372; 2-chloro-N-(1,1-dioxo-2,3-dihydro-1??-thiophen-3-yl)-N-(4-methylphenyl)acetamide; PD193306; EN300-86119; G60088; Z1258919507	299.77	C13H14ClNO3S	62.8	461	1.7	19	0	3	3	InChI=1S/C13H14ClNO3S/c1-10-2-4-11(5-3-10)15(13(16)8-14)12-6-7-19(17,18)9-12/h2-7,12H,8-9H2,1H3	CC1=CC=C(C=C1)N(C2CS(=O)(=O)C=C2)C(=O)CCl	CC1=CC=C(C=C1)N(C2CS(=O)(=O)C=C2)C(=O)CCl	JZSGIOBCCHCOBI-UHFFFAOYSA-N	2-chloro-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-methylphenyl)acetamide
LDCM0432	CL42	43578938	1-(2-chloroacetyl)-N-methylpiperidine-4-carboxamide; 1153301-68-8; SCHEMBL22481624; AKOS009596390; DB-146361; CS-0250017; EN300-48680; A1-39477; Z432031224	218.68	C9H15ClN2O2	49.4	225	0.1	14	1	2	2	InChI=1S/C9H15ClN2O2/c1-11-9(14)7-2-4-12(5-3-7)8(13)6-10/h7H,2-6H2,1H3,(H,11,14)	CNC(=O)C1CCN(CC1)C(=O)CCl	CNC(=O)C1CCN(CC1)C(=O)CCl	IVDDNFYYSVEQMB-UHFFFAOYSA-N	1-(2-chloroacetyl)-N-methylpiperidine-4-carboxamide
LDCM0433	CL43	3367772	2-chloro-N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]acetamide; 866150-12-1; ZINC04054388; AKOS005108845; MS-0010; CS-0252469; EN300-60439; Z945125718	282.76	C14H19ClN2O2	41.6	296	2.3	19	1	3	3	InChI=1S/C14H19ClN2O2/c1-10-8-17(9-11(2)19-10)13-5-3-12(4-6-13)16-14(18)7-15/h3-6,10-11H,7-9H2,1-2H3,(H,16,18)	CC1CN(CC(O1)C)C2=CC=C(C=C2)NC(=O)CCl	CC1CN(CC(O1)C)C2=CC=C(C=C2)NC(=O)CCl	RULGFODZFMPBIT-UHFFFAOYSA-N	2-chloro-N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]acetamide
LDCM0434	CL44	2384592	380346-60-1; 2-chloro-N-[2-(4-fluorophenyl)ethyl]acetamide; 2-Chloro-N-[2-(4-fluoro-phenyl)-ethyl]-acetamide; 2-Chloro-N-(4-fluorophenethyl)acetamide; MFCD02725653; SCHEMBL3316967; DTXSID80368372; QRXAIIWZPWKFGE-UHFFFAOYSA-N; BBL025752; STL377974; AKOS000302293; VS-08080; UPCMLD0ENAT0507-3886:001; CS-0218620; EN300-01537; Z56822826	215.65	C10H11ClFNO	29.1	181	2.2	14	1	2	4	InChI=1S/C10H11ClFNO/c11-7-10(14)13-6-5-8-1-3-9(12)4-2-8/h1-4H,5-7H2,(H,13,14)	C1=CC(=CC=C1CCNC(=O)CCl)F	C1=CC(=CC=C1CCNC(=O)CCl)F	QRXAIIWZPWKFGE-UHFFFAOYSA-N	2-chloro-N-[2-(4-fluorophenyl)ethyl]acetamide
LDCM0435	CL45	842066	50772-54-8; 2-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide; 2-Chloro-N-(4,5-dimethylthiazol-2-yl)acetamide; 2-Chloro-N-(4,5-dimethyl-thiazol-2-yl)-acetamide; 2-chloro-N-(dimethyl-1,3-thiazol-2-yl)acetamide; MFCD00520426; 2-Chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamid; DTXSID80357069; STK231228; AKOS000100118; EF-0703; CS-0117165; EN300-25670; G21213; SR-01000310464; J-509074; SR-01000310464-1; Z56871624	204.68	C7H9ClN2OS	70.2	179	1.9	12	1	3	2	InChI=1S/C7H9ClN2OS/c1-4-5(2)12-7(9-4)10-6(11)3-8/h3H2,1-2H3,(H,9,10,11)	CC1=C(SC(=N1)NC(=O)CCl)C	CC1=C(SC(=N1)NC(=O)CCl)C	BYIWUVZIBZLZOQ-UHFFFAOYSA-N	2-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
LDCM0436	CL46	735854	2-chloro-N-(2,4-difluorophenyl)acetamide; 96980-65-3; N-Chloroacetyl-2,4-difluoroaniline; 2-Chloro-2',4'-difluoroacetanilide; N-(2,4-difluorophenyl)-2-chloroacetamide; Acetamide,2-chloro-N-(2,4-difluorophenyl)-; Acetamide, 2-chloro-N-(2,4-difluorophenyl)-; SCHEMBL263278; chloroacetic acid difluoroanilide; DTXSID90352863; JS-034C; TUPPVAAGWXKMRC-UHFFFAOYSA-N; MFCD00077473; STK411587; AKOS000266443; N-(Chloroacetyl)-2,4-difluoroaniline; SB77447; UPCMLD0ENAT0515-0217:001; CS-0197536; EN300-01605; E86097; A845665; J-509051; Z56896319; N-Chloroacetyl-2,4-difluoroaniline, 2-Chloro-N-(2,4-difluorophenyl)acetamide	205.59	C8H6ClF2NO	29.1	191	2	13	1	3	2	InChI=1S/C8H6ClF2NO/c9-4-8(13)12-7-2-1-5(10)3-6(7)11/h1-3H,4H2,(H,12,13)	C1=CC(=C(C=C1F)F)NC(=O)CCl	C1=CC(=C(C=C1F)F)NC(=O)CCl	TUPPVAAGWXKMRC-UHFFFAOYSA-N	2-chloro-N-(2,4-difluorophenyl)acetamide
LDCM0437	CL47	9397906	2-chloro-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide; 923225-78-9; 2-chloro-N-(4-(2-oxopyrrolidin-1-yl)phenyl)acetamide; AKOS001274480; UPCMLD0ENAT5592499:001; CS-0241224; EN300-23192; G40883; Z147651952	252.69	C12H13ClN2O2	49.4	301	1.1	17	1	2	3	InChI=1S/C12H13ClN2O2/c13-8-11(16)14-9-3-5-10(6-4-9)15-7-1-2-12(15)17/h3-6H,1-2,7-8H2,(H,14,16)	C1CC(=O)N(C1)C2=CC=C(C=C2)NC(=O)CCl	C1CC(=O)N(C1)C2=CC=C(C=C2)NC(=O)CCl	DHDWJIRQYIOVEX-UHFFFAOYSA-N	2-chloro-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
LDCM0438	CL48	25323326	2-chloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]acetamide; 949977-30-4; SCHEMBL21393142; AKOS030740560; CS-0241884; EN300-24006; G56304; Z168796170	295.76	C15H18ClNO3	47.6	357	2.4	20	1	3	3	InChI=1S/C15H18ClNO3/c16-10-14(18)17-15(5-1-2-6-15)11-3-4-12-13(9-11)20-8-7-19-12/h3-4,9H,1-2,5-8,10H2,(H,17,18)	C1CCC(C1)(C2=CC3=C(C=C2)OCCO3)NC(=O)CCl	C1CCC(C1)(C2=CC3=C(C=C2)OCCO3)NC(=O)CCl	IWGQITPDBXONGR-UHFFFAOYSA-N	2-chloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]acetamide
LDCM0439	CL49	3764710	2-chloro-N-[1-(3-chlorophenyl)ethyl]acetamide; 40023-11-8; 2-Chloro-N-[1-(3-chloro-phenyl)-ethyl]-acetamide; 2-Chloro-N-(1-(3-chlorophenyl)ethyl)acetamide; DTXSID30396105; AKOS008024246; AM100774; PD193293; CS-0221996; EN300-10100; G40391; Z56347161	232.1	C10H11Cl2NO	29.1	199	2.7	14	1	1	3	InChI=1S/C10H11Cl2NO/c1-7(13-10(14)6-11)8-3-2-4-9(12)5-8/h2-5,7H,6H2,1H3,(H,13,14)	CC(C1=CC(=CC=C1)Cl)NC(=O)CCl	CC(C1=CC(=CC=C1)Cl)NC(=O)CCl	IPGDMBWEYHBLRL-UHFFFAOYSA-N	2-chloro-N-[1-(3-chlorophenyl)ethyl]acetamide
LDCM0440	CL5	50988895	2-chloro-N-{1,4-dioxaspiro[4.5]decan-8-yl}acetamide; 1258639-81-4; 2-chloro-N-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide; AKOS026729809; CS-0249971; EN300-47925; G39601; Z291278632	233.69	C10H16ClNO3	47.6	231	0.9	15	1	3	2	InChI=1S/C10H16ClNO3/c11-7-9(13)12-8-1-3-10(4-2-8)14-5-6-15-10/h8H,1-7H2,(H,12,13)	C1CC2(CCC1NC(=O)CCl)OCCO2	C1CC2(CCC1NC(=O)CCl)OCCO2	SXWDERBJDCRJQN-UHFFFAOYSA-N	2-chloro-N-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide
LDCM0441	CL50	16226899	1-(chloroacetyl)azocane; 14368-26-4; 1-(AZOCAN-1-YL)-2-CHLOROETHANONE; 1-(azocan-1-yl)-2-chloroethan-1-one; Ethanone, 2-chloro-1-(hexahydro-1(2H)-azocinyl)-; SCHEMBL229257; 1-azocan-1-yl-2-chloroethanone; DTXSID50585352; UGZHOJOCNQDXKG-UHFFFAOYSA-N; MFCD08444121; AKOS009075708; CS-0240776; EN300-23005; G30467; Z147647332	189.68	C9H16ClNO	20.3	142	2.1	12	0	1	1	InChI=1S/C9H16ClNO/c10-8-9(12)11-6-4-2-1-3-5-7-11/h1-8H2	C1CCCN(CCC1)C(=O)CCl	C1CCCN(CCC1)C(=O)CCl	UGZHOJOCNQDXKG-UHFFFAOYSA-N	1-(azocan-1-yl)-2-chloroethanone
LDCM0442	CL51	50988889	2-chloro-1-[2-(thiophen-3-yl)pyrrolidin-1-yl]ethan-1-one; 1179119-21-1; 2-chloro-1-(2-thiophen-3-ylpyrrolidin-1-yl)ethanone; AKOS010027568; CS-0249966; EN300-47843; G51192; Z561606520; 2-CHLORO-1-[2-(THIOPHEN-3-YL)PYRROLIDIN-1-YL]ETHANONE	229.73	C10H12ClNOS	48.6	224	2	14	0	2	2	InChI=1S/C10H12ClNOS/c11-6-10(13)12-4-1-2-9(12)8-3-5-14-7-8/h3,5,7,9H,1-2,4,6H2	C1CC(N(C1)C(=O)CCl)C2=CSC=C2	C1CC(N(C1)C(=O)CCl)C2=CSC=C2	NLMJBFLSTICGSA-UHFFFAOYSA-N	2-chloro-1-(2-thiophen-3-ylpyrrolidin-1-yl)ethanone
LDCM0443	CL52	4961595	2-chloro-N-[1-(thiophen-2-yl)ethyl]acetamide; 793727-52-3; 2-chloro-N-(1-thiophen-2-ylethyl)acetamide; 2-chloro-N-(1-thien-2-ylethyl)acetamide; AKOS008967708; CS-0223035; EN300-11366; G40706; SR-01000060255; SR-01000060255-1; Z57044219	203.69	C8H10ClNOS	57.3	165	1.8	12	1	2	3	InChI=1S/C8H10ClNOS/c1-6(10-8(11)5-9)7-3-2-4-12-7/h2-4,6H,5H2,1H3,(H,10,11)	CC(C1=CC=CS1)NC(=O)CCl	CC(C1=CC=CS1)NC(=O)CCl	VRCUYEBCUHAHLH-UHFFFAOYSA-N	2-chloro-N-(1-thiophen-2-ylethyl)acetamide
LDCM0444	CL53	12005198	2-chloro-N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)acetamide; 324009-92-9; SMR000203404; MLS000584241; CHEMBL1609009; SCHEMBL23818008; BDBM70774; cid_12005198; HMS2612I13; AKOS001419460; EN300-24623; G40317; SR-01000704047; SR-01000704047-2; Z199424084; 2-chloranyl-N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)ethanamide	250.72	C13H15ClN2O	44.1	310	2.3	17	0	2	4	InChI=1S/C13H15ClN2O/c1-10-4-5-12(8-11(10)2)16(7-3-6-15)13(17)9-14/h4-5,8H,3,7,9H2,1-2H3	CC1=C(C=C(C=C1)N(CCC#N)C(=O)CCl)C	CC1=C(C=C(C=C1)N(CCC#N)C(=O)CCl)C	QJDWWNYLGUJMCH-UHFFFAOYSA-N	2-chloro-N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)acetamide
LDCM0445	CL54	2441058	733762-53-3; 2-Chloro-N-(2,2-difluoro-benzo[1,3]dioxol-5-yl)-acetamide; 2-chloro-N-(2,2-difluoro-2H-1,3-benzodioxol-5-yl)acetamide; 2-chloro-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide; AKOS000199176; CS-0220210; EN300-06060; G38553; SR-01000043391; SR-01000043391-1; Z56915980; 2-chloro-N-(2,2-difluoro-1,3-dioxaindan-5-yl)acetamide	249.6	C9H6ClF2NO3	47.6	290	2.3	16	1	5	2	InChI=1S/C9H6ClF2NO3/c10-4-8(14)13-5-1-2-6-7(3-5)16-9(11,12)15-6/h1-3H,4H2,(H,13,14)	C1=CC2=C(C=C1NC(=O)CCl)OC(O2)(F)F	C1=CC2=C(C=C1NC(=O)CCl)OC(O2)(F)F	YLZVYUZJEUZJMX-UHFFFAOYSA-N	2-chloro-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide
LDCM0446	CL55	50988896	2-chloro-N-(1-cyclohexanecarbonylpiperidin-4-yl)acetamide; 1258650-70-2; 2-chloro-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]acetamide; AKOS029768450; EN300-48053; G37987; A1-51079; Z291278676	286.8	C14H23ClN2O2	49.4	321	2.3	19	1	2	3	InChI=1S/C14H23ClN2O2/c15-10-13(18)16-12-6-8-17(9-7-12)14(19)11-4-2-1-3-5-11/h11-12H,1-10H2,(H,16,18)	C1CCC(CC1)C(=O)N2CCC(CC2)NC(=O)CCl	C1CCC(CC1)C(=O)N2CCC(CC2)NC(=O)CCl	QTUXHTANRDIVIE-UHFFFAOYSA-N	2-chloro-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]acetamide
LDCM0447	CL56	679481	N-[4-(acetylamino)phenyl]-2-chloroacetamide; 2653-10-3; N-(4-acetamidophenyl)-2-chloroacetamide; N-(4-(ACETYLAMINO)PHENYL)-2-CHLOROACETAMIDE; 2-chloro-N-(4-acetamidophenyl)acetamide; N-(4-Acetylaminophenyl)-2-chloroacetamide; SCHEMBL5903996; DTXSID10350447; N-(Chloroacetyl)4-aminoacetanilide; MFCD00186762; STK204992; AKOS000268698; LS-01197; N-(4-Acetylamino-phenyl)-2-chloro-acetamide; EN300-01793; F81630; SR-01000031968; SR-01000031968-1; Z56823002; F2190-0209	226.66	C10H11ClN2O2	58.2	238	0.8	15	2	2	3	InChI=1S/C10H11ClN2O2/c1-7(14)12-8-2-4-9(5-3-8)13-10(15)6-11/h2-5H,6H2,1H3,(H,12,14)(H,13,15)	CC(=O)NC1=CC=C(C=C1)NC(=O)CCl	CC(=O)NC1=CC=C(C=C1)NC(=O)CCl	UMOGUGDPRBDPOU-UHFFFAOYSA-N	N-(4-acetamidophenyl)-2-chloroacetamide
LDCM0448	CL57	3518628	299954-05-5; 2-(2-Chloro-acetylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid amide; 2-(2-chloroacetamido)-4H,5H,6H-cyclopenta[b]thiophene-3-carboxamide; 2-(2-Chloroacetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide; 2-[(2-chloroacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide; STK397250; 2-[(chloroacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide; AKOS000103773; CS-0218761; EN300-01966; G40297; SR-01000039647; SR-01000039647-1; Z56887705; 2-(2-chloro-acetylamino)-5,6-dihydro-4 h-cyclopenta[b]thiophene-3-carboxylic acid amide; 2-(2-chloro-acetylamino)-5,6-dihydro-4h-cyclopenta[ b ]thiophene-3-carboxylic acid amide	258.73	C10H11ClN2O2S	100	313	1.8	16	2	3	3	InChI=1S/C10H11ClN2O2S/c11-4-7(14)13-10-8(9(12)15)5-2-1-3-6(5)16-10/h1-4H2,(H2,12,15)(H,13,14)	C1CC2=C(C1)SC(=C2C(=O)N)NC(=O)CCl	C1CC2=C(C1)SC(=C2C(=O)N)NC(=O)CCl	ALPHKUSWEDXBQI-UHFFFAOYSA-N	2-[(2-chloroacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
LDCM0449	CL58	2363688	187942-05-8; 4-chloro-2-(2-chloroacetamido)benzoic acid; 4-Chloro-2-(2-chloro-acetylamino)-benzoic acid; 4-chloro-2-[(2-chloroacetyl)amino]benzoic Acid; Benzoic acid, 4-chloro-2-[(chloroacetyl)amino]-; SCHEMBL7761150; MFCD03980979; AKOS008966925; DA-08864; 4-chloro-2-(2-chloroacetamido)benzoicacid; CS-0219852; EN300-05109; G38063; SR-01000042687; SR-01000042687-1; Z56910423	248.06	C9H7Cl2NO3	66.4	260	2.7	15	2	3	3	InChI=1S/C9H7Cl2NO3/c10-4-8(13)12-7-3-5(11)1-2-6(7)9(14)15/h1-3H,4H2,(H,12,13)(H,14,15)	C1=CC(=C(C=C1Cl)NC(=O)CCl)C(=O)O	C1=CC(=C(C=C1Cl)NC(=O)CCl)C(=O)O	MQBUFMHSXZTGPL-UHFFFAOYSA-N	4-chloro-2-[(2-chloroacetyl)amino]benzoic acid
LDCM0450	CL59	4962260	91089-68-8; 2-chloro-N-3,4-dihydro-2H-chromen-4-ylacetamide; 2-chloro-n-(chroman-4-yl)acetamide; 2-chloro-N-(3,4-dihydro-2H-chromen-4-yl)acetamide; 2-chloro-N-(3,4-dihydro-2H-1-benzopyran-4-yl)acetamide; SCHEMBL4861089; DTXSID50407045; AKOS000122865; AKOS017273896; CS-0233178; EN300-13153; G38895; SR-01000068703; SR-01000068703-1; Z89284917	225.67	C11H12ClNO2	38.3	235	1.8	15	1	2	2	InChI=1S/C11H12ClNO2/c12-7-11(14)13-9-5-6-15-10-4-2-1-3-8(9)10/h1-4,9H,5-7H2,(H,13,14)	C1COC2=CC=CC=C2C1NC(=O)CCl	C1COC2=CC=CC=C2C1NC(=O)CCl	NSLMBOGOVJIBJG-UHFFFAOYSA-N	2-chloro-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
LDCM0451	CL6	50989233	2-chloro-1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]ethan-1-one; 1305711-77-6; 2-chloro-1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]ethanone; 2-Chloro-1-(2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl)ethanone; AKOS033429335; EN300-46354; G23574; Z561045400	283.75	C14H18ClNO3	38.8	313	2.3	19	0	3	4	InChI=1S/C14H18ClNO3/c1-18-10-5-6-11(13(8-10)19-2)12-4-3-7-16(12)14(17)9-15/h5-6,8,12H,3-4,7,9H2,1-2H3	COC1=CC(=C(C=C1)C2CCCN2C(=O)CCl)OC	COC1=CC(=C(C=C1)C2CCCN2C(=O)CCl)OC	AGZLUWLUUKHWEC-UHFFFAOYSA-N	2-chloro-1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]ethanone
LDCM0452	CL60	22110119	2-chloro-N-(7-chloro-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide; 941055-93-2; 2-chloro-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide; C10H9Cl2NO3; SCHEMBL23818013; AKOS009096659; CS-0242161; EN300-24555; G40931; Z199423338	262.089	C10H9Cl2NO3	47.6	264	2.1	16	1	3	2	InChI=1S/C10H9Cl2NO3/c11-5-10(14)13-7-4-9-8(3-6(7)12)15-1-2-16-9/h3-4H,1-2,5H2,(H,13,14)	C1COC2=C(O1)C=C(C(=C2)Cl)NC(=O)CCl	C1COC2=C(O1)C=C(C(=C2)Cl)NC(=O)CCl	QRGBGJCLKIHNHF-UHFFFAOYSA-N	2-chloro-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide
LDCM0453	CL61	2772280	790272-36-5; 2-chloro-N-(3-methyl-1,1-dioxo-1lambda6-thiolan-3-yl)acetamide; 2-chloro-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide; 2-chloro-N-(3-methyl-1,1-dioxidotetrahydrothiophen-3-yl)acetamide; 2-chloro-N-(3-methyl-1,1-dioxidotetrahydrothien-3-yl)acetamide; STL454853; AKOS000269808; AKOS016039826; CS-0230477; EN300-10414; G40691; Z56347342; F1958-0032; 2-chloro-N-(3-methyl-1,1-dioxo-1lambda-thiolan-3-yl)acetamide	225.69	C7H12ClNO3S	71.6	308	-0.1	13	1	3	2	InChI=1S/C7H12ClNO3S/c1-7(9-6(10)4-8)2-3-13(11,12)5-7/h2-5H2,1H3,(H,9,10)	CC1(CCS(=O)(=O)C1)NC(=O)CCl	CC1(CCS(=O)(=O)C1)NC(=O)CCl	FFMVOZWDRNWBKN-UHFFFAOYSA-N	2-chloro-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
LDCM0454	CL62	2778354	2-chloro-N-(1,3-dimethyl-1H-pyrazol-5-yl)acetamide; 630120-79-5; 2-chloro-N-(2,5-dimethylpyrazol-3-yl)acetamide; SCHEMBL4009660; MFCD00122730; AKOS000263412; CS-0242284; EN300-24686; G38425; J-509040; F8889-5031; N1-(1,3-dimethyl-1H-pyrazol-5-yl)-2-chloroacetamide; Z199472064	187.63	C7H10ClN3O	46.9	176	0.8	12	1	2	2	InChI=1S/C7H10ClN3O/c1-5-3-6(11(2)10-5)9-7(12)4-8/h3H,4H2,1-2H3,(H,9,12)	CC1=NN(C(=C1)NC(=O)CCl)C	CC1=NN(C(=C1)NC(=O)CCl)C	XIKWBUIHJKCCDR-UHFFFAOYSA-N	2-chloro-N-(2,5-dimethylpyrazol-3-yl)acetamide
LDCM0455	CL63	16226883	1-(2-chloroacetyl)piperidine-3-carboxamide; 877964-41-5; 1-(chloroacetyl)piperidine-3-carboxamide; SCHEMBL22481549; CKB96441; STL280171; AKOS000263907; AKOS016040190; DB-146363; CS-0240523; EN300-22880; G40808; F8889-0489; Z147647666	204.65	C8H13ClN2O2	63.4	220	-0.3	13	1	2	2	InChI=1S/C8H13ClN2O2/c9-4-7(12)11-3-1-2-6(5-11)8(10)13/h6H,1-5H2,(H2,10,13)	C1CC(CN(C1)C(=O)CCl)C(=O)N	C1CC(CN(C1)C(=O)CCl)C(=O)N	BIXIPUBTNRBWMM-UHFFFAOYSA-N	1-(2-chloroacetyl)piperidine-3-carboxamide
LDCM0456	CL64	54592427	2-chloro-1-{4-ethyl-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}ethan-1-one; 1182908-09-3; 2-chloro-1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone; 2-Chloro-1-(4-ethyl-4h,5h,6h,7h-thieno[3,2-c]pyridin-5-yl)ethan-1-one; AKOS009096483; CS-0242234; EN300-24633; G23472; Z199424104; 2-CHLORO-1-{4-ETHYL-4H,6H,7H-THIENO[3,2-C]PYRIDIN-5-YL}ETHANONE	243.75	C11H14ClNOS	48.6	249	2.5	15	0	2	2	InChI=1S/C11H14ClNOS/c1-2-9-8-4-6-15-10(8)3-5-13(9)11(14)7-12/h4,6,9H,2-3,5,7H2,1H3	CCC1C2=C(CCN1C(=O)CCl)SC=C2	CCC1C2=C(CCN1C(=O)CCl)SC=C2	ZYOBJILPBCUEEZ-UHFFFAOYSA-N	2-chloro-1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
LDCM0457	CL65	50989031	2-chloro-N-{1-[(methylcarbamoyl)methyl]-1H-pyrazol-4-yl}acetamide; 1178226-80-6; 2-[4-[(2-chloroacetyl)amino]pyrazol-1-yl]-N-methylacetamide; 2-CHLORO-N-(1-[(METHYLCARBAMOYL)METHYL]-1H-PYRAZOL-4-YL)ACETAMIDE; AKOS010030156; EN300-48861; G51179; Z567123426; 2-chloro-N-{1-[(methylcarbamoyl)methyl]pyrazol-4-yl}acetamide	230.65	C8H11ClN4O2	76	249	-0.5	15	2	3	4	InChI=1S/C8H11ClN4O2/c1-10-8(15)5-13-4-6(3-11-13)12-7(14)2-9/h3-4H,2,5H2,1H3,(H,10,15)(H,12,14)	CNC(=O)CN1C=C(C=N1)NC(=O)CCl	CNC(=O)CN1C=C(C=N1)NC(=O)CCl	ZTIOYSXHZJPUTH-UHFFFAOYSA-N	2-[4-[(2-chloroacetyl)amino]pyrazol-1-yl]-N-methylacetamide
LDCM0458	CL66	43700516	2-chloro-N-(2-chloro-5-sulfamoylphenyl)acetamide; 1154121-22-8; AKOS009891671; CS-0231301; EN300-107837; Z445406220	283.13	C8H8Cl2N2O3S	97.6	355	0.7	16	2	4	3	InChI=1S/C8H8Cl2N2O3S/c9-4-8(13)12-7-3-5(16(11,14)15)1-2-6(7)10/h1-3H,4H2,(H,12,13)(H2,11,14,15)	C1=CC(=C(C=C1S(=O)(=O)N)NC(=O)CCl)Cl	C1=CC(=C(C=C1S(=O)(=O)N)NC(=O)CCl)Cl	FODGSEJVGHBAOR-UHFFFAOYSA-N	2-chloro-N-(2-chloro-5-sulfamoylphenyl)acetamide
LDCM0459	CL67	2800253	2-chloro-N-(3-ethynylphenyl)acetamide; 175277-85-7; N1-(3-eth-1-ynylphenyl)-2-chloroacetamide; N1-(3-Ethynylphenyl)-2-chloroacetamide; Acetamide, 2-chloro-N-(3-ethynylphenyl)-; Acetamide,2-chloro-N-(3-ethynylphenyl)-; DTXSID60384156; MFCD00276608; AKOS000177594; CS-0249934; EN300-47229; F97244; Z316107652	193.63	C10H8ClNO	29.1	230	2.2	13	1	1	3	InChI=1S/C10H8ClNO/c1-2-8-4-3-5-9(6-8)12-10(13)7-11/h1,3-6H,7H2,(H,12,13)	C#CC1=CC(=CC=C1)NC(=O)CCl	C#CC1=CC(=CC=C1)NC(=O)CCl	ATCNHUNGSIYWPU-UHFFFAOYSA-N	2-chloro-N-(3-ethynylphenyl)acetamide
LDCM0460	CL68	296325	2-chloro-N-(3-methylphenyl)acetamide; 32428-61-8; 2-chloro-N-(m-tolyl)acetamide; MFCD00018901; Acetamide, N-(3-methylphenyl)-2-chloro-; NSC166401; Chloracetyl-m-toluidin; 2-Chloro-N-m-tolyl-acetamide; SCHEMBL4005968; CHEMBL1998563; DTXSID70304587; 2-Chloro-N-(m-tolyl d7)acetamide; STK117233; AKOS000268725; NSC-166401; NCGC00331416-01; LS-01168; NCI60_001296; Acetamide, 2-chloro-N-(3-methylphenyl)-; DB-028019; EN300-01519; 10.14272/GYMACIQGUHXSLT-UHFFFAOYSA-N; G67686; AB00807018-03; AB00807018-04; 10.14272/GYMACIQGUHXSLT-UHFFFAOYSA-N.1; doi:10.14272/GYMACIQGUHXSLT-UHFFFAOYSA-N; A1-48105; doi:10.14272/GYMACIQGUHXSLT-UHFFFAOYSA-N.1; Z56862383; F9995-0366	183.63	C9H10ClNO	29.1	161	2.3	12	1	1	2	InChI=1S/C9H10ClNO/c1-7-3-2-4-8(5-7)11-9(12)6-10/h2-5H,6H2,1H3,(H,11,12)	CC1=CC(=CC=C1)NC(=O)CCl	CC1=CC(=CC=C1)NC(=O)CCl	GYMACIQGUHXSLT-UHFFFAOYSA-N	2-chloro-N-(3-methylphenyl)acetamide
LDCM0461	CL69	735853	2-chloro-N-(3,4-difluorophenyl)acetamide; 76778-13-7; N-Chloroacetyl-3,4-difluoroaniline; SCHEMBL242212; DTXSID30352862; JS-033C; BGKVOCLZYDSHLA-UHFFFAOYSA-N; MFCD01354030; STK279012; AKOS000100121; N-(3,4-difluorophenyl)chloroacetamide; SB77267; N-(3,4-difluorophenyl) chloroacetamide; CS-0307516; EN300-01597; A838825; J-509061; Z56896202	205.59	C8H6ClF2NO	29.1	191	2.2	13	1	3	2	InChI=1S/C8H6ClF2NO/c9-4-8(13)12-5-1-2-6(10)7(11)3-5/h1-3H,4H2,(H,12,13)	C1=CC(=C(C=C1NC(=O)CCl)F)F	C1=CC(=C(C=C1NC(=O)CCl)F)F	BGKVOCLZYDSHLA-UHFFFAOYSA-N	2-chloro-N-(3,4-difluorophenyl)acetamide
LDCM0462	CL7	43424770	2-chloro-N-[4-(trifluoromethyl)cyclohexyl]acetamide; 1153022-66-2; 2276482-48-3; 2-Chloro-N-(4-(trifluoromethyl)cyclohexyl)acetamide; AKOS009132668; EN300-28407; G56062; EN300-5633684; A1-38681; Z258588862; Z2763283750; 2-chloro-N-[(1r,4r)-4-(trifluoromethyl)cyclohexyl]acetamide; 2-chloro-N-[(1r,4r)-4-(trifluoromethyl)cyclohexyl]acetamide,trans	243.65	C9H13ClF3NO	29.1	224	2.8	15	1	4	2	InChI=1S/C9H13ClF3NO/c10-5-8(15)14-7-3-1-6(2-4-7)9(11,12)13/h6-7H,1-5H2,(H,14,15)	C1CC(CCC1C(F)(F)F)NC(=O)CCl	C1CC(CCC1C(F)(F)F)NC(=O)CCl	WIZQYCAFBSSKJN-UHFFFAOYSA-N	2-chloro-N-[4-(trifluoromethyl)cyclohexyl]acetamide
LDCM0463	CL70	3150917	2-chloro-N-[2-(cyclohex-1-en-1-yl)ethyl]acetamide; 392719-47-0; 2-chloro-N-(2-cyclohex-1-en-1-ylethyl)acetamide; 2-chloro-N-[2-(cyclohexen-1-yl)ethyl]acetamide; BBL005890; MFCD01337990; STL138429; AKOS000266059; BS-10264; EN300-01919; G59954; Z56887749; 2-Chloro-N-[2-(1-cyclohexen-1-yl)ethyl]acetamide, AldrichCPR	201.69	C10H16ClNO	29.1	201	2.2	13	1	1	4	InChI=1S/C10H16ClNO/c11-8-10(13)12-7-6-9-4-2-1-3-5-9/h4H,1-3,5-8H2,(H,12,13)	C1CCC(=CC1)CCNC(=O)CCl	C1CCC(=CC1)CCNC(=O)CCl	OASLXHHQSIFPSC-UHFFFAOYSA-N	2-chloro-N-[2-(cyclohexen-1-yl)ethyl]acetamide
LDCM0464	CL71	4962569	854137-78-3; 2-chloro-N-cyclopentyl-N-(1,1-dioxo-1lambda6-thiolan-3-yl)acetamide; 2-chloro-N-cyclopentyl-N-(1,1-dioxidotetrahydrothien-3-yl)acetamide; 2-chloro-N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)acetamide; 2-chloro-N-cyclopentyl-N-(1,1-dioxo-1lambda-thiolan-3-yl)acetamide; 2-CHLORO-N-CYCLOPENTYL-N-(1,1-DIOXIDOTETRAHYDROTHIOPHEN-3-YL)ACETAMIDE; MLS001171643; CHEMBL1345298; SCHEMBL23961054; REGID_for_CID_4962569; DTXSID701160634; HMS2895M19; AKOS005203104; AT33083; SB74112; SMR000595551; CS-0233857; EN300-13664; SR-01000070797; SR-01000070797-1; Z90662869; 2-chloro-N-cyclopentyl-N-(1,1-dioxo-1-thiolan-3-yl)acetamide; 2-Chloro-N-cyclopentyl-N-(tetrahydro-1,1-dioxido-3-thienyl)acetamide	279.78	C11H18ClNO3S	62.8	384	1.2	17	0	3	3	InChI=1S/C11H18ClNO3S/c12-7-11(14)13(9-3-1-2-4-9)10-5-6-17(15,16)8-10/h9-10H,1-8H2	C1CCC(C1)N(C2CCS(=O)(=O)C2)C(=O)CCl	C1CCC(C1)N(C2CCS(=O)(=O)C2)C(=O)CCl	DEIQINIBCQYWIW-UHFFFAOYSA-N	2-chloro-N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)acetamide
LDCM0465	CL72	720922	2-chloro-N-(2-furylmethyl)acetamide; 40914-13-4; 2-chloro-N-(furan-2-ylmethyl)acetamide; 2-Chloro-N-furan-2-ylmethyl-acetamide; MFCD00297044; 2-chloro-N-[(furan-2-yl)methyl]acetamide; 2-Chloro-N-[(fur-2-yl)methyl]acetamide; N-Furfurylchloroacetamide; SCHEMBL6029533; DTXSID90352186; DRDCOQBVIBGWCZ-UHFFFAOYSA-N; BBL008375; STK415388; AKOS000266058; n-(chloroacetyl)-2-(aminomethyl)furan; SB61029; AM100798; DB-049679; EN300-01586; A825343; 12X-0925; J-509090; Z56891404; F9995-0362	173.6	C7H8ClNO2	42.2	140	0.8	11	1	2	3	InChI=1S/C7H8ClNO2/c8-4-7(10)9-5-6-2-1-3-11-6/h1-3H,4-5H2,(H,9,10)	C1=COC(=C1)CNC(=O)CCl	C1=COC(=C1)CNC(=O)CCl	DRDCOQBVIBGWCZ-UHFFFAOYSA-N	2-chloro-N-(furan-2-ylmethyl)acetamide
LDCM0466	CL73	2525981	1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-chloroethan-1-one; 851288-56-7; 1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-chloroethanone; 1-(4-(Benzo[d]oxazol-2-yl)piperidin-1-yl)-2-chloroethan-1-one; 2-[1-(chloroacetyl)piperidin-4-yl]-1,3-benzoxazole; DTXSID101215847; BJB28856; AKOS000118509; CS-0224229; EN300-11836; G40743; Z57980312; 1-[4-(2-Benzoxazolyl)-1-piperidinyl]-2-chloroethanone	278.73	C14H15ClN2O2	46.3	331	2.5	19	0	3	2	InChI=1S/C14H15ClN2O2/c15-9-13(18)17-7-5-10(6-8-17)14-16-11-3-1-2-4-12(11)19-14/h1-4,10H,5-9H2	C1CN(CCC1C2=NC3=CC=CC=C3O2)C(=O)CCl	C1CN(CCC1C2=NC3=CC=CC=C3O2)C(=O)CCl	DUKMRADGWGAUSV-UHFFFAOYSA-N	1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-chloroethanone
LDCM0467	CL74	3161033	554425-47-7; 2-chloro-N-(1,1-dioxo-1lambda6-thiolan-3-yl)-N-ethylacetamide; 2-chloro-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide; 2-chloro-N-ethyl-N-(1-hydroxy-1-oxothiolan-3-yl)acetamide; 2-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-ethylacetamide; 2-Chloro-n-(1,1-dioxo-tetrahydro-1lambda6-thiophen-3-yl)-n-ethyl-acetamide; 2-Chloro-N-(1,1-dioxo-tetrahydro-1lambda*6*-thiophen-3-yl)-N-ethyl-acetamide; SCHEMBL22481612; STL454832; AKOS000269851; AKOS016039709; UPCMLD0ENAT5886001:001; CS-0220184; EN300-05984; G38327; Z56915887; 2-Chloro-N-ethyl-N-(tetrahydro-1,1-dioxido-3-thienyl)acetamide	239.72	C8H14ClNO3S	62.8	309	0.3	14	0	3	3	InChI=1S/C8H14ClNO3S/c1-2-10(8(11)5-9)7-3-4-14(12,13)6-7/h7H,2-6H2,1H3	CCN(C1CCS(=O)(=O)C1)C(=O)CCl	CCN(C1CCS(=O)(=O)C1)C(=O)CCl	KHPZISZMSODHDH-UHFFFAOYSA-N	2-chloro-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
LDCM0468	Fragment33	735851	227199-07-7; N-(1,3-benzodioxol-5-yl)-2-chloroacetamide; N-Benzo[1,3]dioxol-5-yl-2-chloro-acetamide; N-(benzo[d][1,3]dioxol-5-yl)-2-chloroacetamide; N-1,3-benzodioxol-5-yl-2-chloroacetamide; N-(2H-1,3-benzodioxol-5-yl)-2-chloroacetamide; GNF-Pf-2243; MFCD00245737; n-benzo[3,4-d]-1,3-dioxolan-5-yl-2-chloroethanamide; MLS000693619; CHEMBL600908; n-benzo[3,4-d]1,3-dioxolan-5-yl-2-chloroethanamide; SCHEMBL4008895; DTXSID10352860; JS-031C; HMS2638F15; HMS3359M09; BBL007970; STK231357; AKOS000265026; SMR000285468; CS-0131274; N-(1,3-dioxaindan-5-yl)-2-chloroacetamide; EN300-01620; D82008; SR-01000317975; J-523152; SR-01000317975-1; Z56862739; F0239-0335; N~1~-(1,3-BENZODIOXOL-5-YL)-2-CHLOROACETAMIDE	213.62	C9H8ClNO3	47.6	224	1.4	14	1	3	2	InChI=1S/C9H8ClNO3/c10-4-9(12)11-6-1-2-7-8(3-6)14-5-13-7/h1-3H,4-5H2,(H,11,12)	C1OC2=C(O1)C=C(C=C2)NC(=O)CCl	C1OC2=C(O1)C=C(C=C2)NC(=O)CCl	HBIYZYYNHWRQMC-UHFFFAOYSA-N	N-(1,3-benzodioxol-5-yl)-2-chloroacetamide
LDCM0469	CL76	47003380	2-chloro-N-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]acetamide; 1240526-19-5; AKOS023166113; CS-0256935; EN300-65678; G39535; Z1021388618	243.57	C6H5ClF3N3O2	68	238	1.3	15	1	7	3	InChI=1S/C6H5ClF3N3O2/c7-2-3(14)11-5-13-12-4(15-5)1-6(8,9)10/h1-2H2,(H,11,13,14)	C(C1=NN=C(O1)NC(=O)CCl)C(F)(F)F	C(C1=NN=C(O1)NC(=O)CCl)C(F)(F)F	RSQOVNGMOGJHNI-UHFFFAOYSA-N	2-chloro-N-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]acetamide
LDCM0470	CL77	16227666	2-chloro-1-{4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}ethan-1-one; 929974-47-0; 5-(chloroacetyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine; 2-chloro-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone; SCHEMBL22481607; 2-chloro-1-{4H,6H,7H-thieno[3,2-c]pyridin-5-yl}ethanone; AKOS000264101; UPCMLD0ENAT5750845:001; DB-149367; CS-0243610; EN300-26624; G19004; F2145-0684; Z227825832; 2-Chloro-1-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-yl)ethanone; 2-Chloro-1-(6,7-dihydrothieno[3,2-c]pyridin-5(4h)-yl)ethanone	215.7	C9H10ClNOS	48.6	212	1.6	13	0	2	1	InChI=1S/C9H10ClNOS/c10-5-9(12)11-3-1-8-7(6-11)2-4-13-8/h2,4H,1,3,5-6H2	C1CN(CC2=C1SC=C2)C(=O)CCl	C1CN(CC2=C1SC=C2)C(=O)CCl	QSRTWFRGDFZQPO-UHFFFAOYSA-N	2-chloro-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
LDCM0471	CL78	50987774	2-chloro-N-[(dimethyl-1,2-oxazol-4-yl)methyl]acetamide; 1258652-47-9; 2-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]acetamide; AKOS017375314; EN300-70773; Z1138459452	202.64	C8H11ClN2O2	55.1	189	0.9	13	1	3	3	InChI=1S/C8H11ClN2O2/c1-5-7(6(2)13-11-5)4-10-8(12)3-9/h3-4H2,1-2H3,(H,10,12)	CC1=C(C(=NO1)C)CNC(=O)CCl	CC1=C(C(=NO1)C)CNC(=O)CCl	ZRUXRCFTNFGGKB-UHFFFAOYSA-N	2-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]acetamide
LDCM0472	CL79	21911739	2-chloro-N-[(3-fluorophenyl)methyl]acetamide; 330679-40-8; SCHEMBL4032122; AKOS009259578; EN300-37583; Z362629546	201.62	C9H9ClFNO	29.1	177	2.1	13	1	2	3	InChI=1S/C9H9ClFNO/c10-5-9(13)12-6-7-2-1-3-8(11)4-7/h1-4H,5-6H2,(H,12,13)	C1=CC(=CC(=C1)F)CNC(=O)CCl	C1=CC(=CC(=C1)F)CNC(=O)CCl	ZDJJDJFJYVGNJY-UHFFFAOYSA-N	2-chloro-N-[(3-fluorophenyl)methyl]acetamide
LDCM0473	CL8	54592464	N-(1,3-benzothiazol-2-yl)-2-chloro-N-methylacetamide; 1306604-35-2; AKOS026727591; CS-0249931; EN300-47147; G39653; Z561260694	240.71	C10H9ClN2OS	61.4	252	2.7	15	0	3	2	InChI=1S/C10H9ClN2OS/c1-13(9(14)6-11)10-12-7-4-2-3-5-8(7)15-10/h2-5H,6H2,1H3	CN(C1=NC2=CC=CC=C2S1)C(=O)CCl	CN(C1=NC2=CC=CC=C2S1)C(=O)CCl	DKHPUSRJYYCQLY-UHFFFAOYSA-N	N-(1,3-benzothiazol-2-yl)-2-chloro-N-methylacetamide
LDCM0474	CL80	532064	39089-62-8; 2-Chloro-N-(tetrahydro-2-furanylmethyl)acetamide; 2-chloro-N-(oxolan-2-ylmethyl)acetamide; 2-chloro-N-(tetrahydrofuran-2-ylmethyl)acetamide; 2-chloro-N-((tetrahydrofuran-2-yl)methyl)acetamide; 2-Chloro-N-[(oxolan-2-yl)methyl]acetamide; Acetamide, N-tetrahydrofurfuryl-2-chloro-; MLS001013392; SCHEMBL4051295; CHEMBL1582969; DTXSID10336302; HMS2708M03; MFCD01182294; STK399052; AKOS000271134; AKOS016037188; SMR000385324; DB-013230; EN300-01527; VU0609702-1; N-(Chloroacetyl)-2-(aminomethyl)tetrahydrofuran; 2-Chloro-N-(tetrahydrofuran-2-ylmethyl)-acetamide; 12X-0923; J-509036; Z56862634; F3307-0070; 2-Chloro-N-(tetrahydro-2-furanylmethyl)acetamide, AldrichCPR	177.63	C7H12ClNO2	38.3	140	0.6	11	1	2	3	InChI=1S/C7H12ClNO2/c8-4-7(10)9-5-6-2-1-3-11-6/h6H,1-5H2,(H,9,10)	C1CC(OC1)CNC(=O)CCl	C1CC(OC1)CNC(=O)CCl	OINOJHHVQJESIB-UHFFFAOYSA-N	2-chloro-N-(oxolan-2-ylmethyl)acetamide
LDCM0475	CL81	737278	3792-04-9; 2-chloro-N-[2-(trifluoromethyl)phenyl]acetamide; 2-Chloro-N-(2-(trifluoromethyl)phenyl)acetamide; n-(chloroacetyl)-2-(trifluoromethyl)aniline; n-chloroacetyl-2-(trifluoromethyl)aniline; MFCD00018893; 2-chloro-N-(2-trifluoromethylphenyl)acetamide; SCHEMBL4006020; DTXSID20353222; JS-105C; STK325977; AKOS000265796; SY078943; DB-049218; CS-0033863; EN300-01684; N-(2-trifluoromethylphenyl)-2-chloroacetamide; 2-Chloro-N-(2-trifluoromethylphenyl) acetamide; C74939; A912854; Z56896251; F0266-3216; 2-CHLORO-ALPHA,ALPHA,ALPHA-TRIFLUORO-ORTHO-ACETOTOLUIDIDE	237.6	C9H7ClF3NO	29.1	232	1.7	15	1	4	2	InChI=1S/C9H7ClF3NO/c10-5-8(15)14-7-4-2-1-3-6(7)9(11,12)13/h1-4H,5H2,(H,14,15)	C1=CC=C(C(=C1)C(F)(F)F)NC(=O)CCl	C1=CC=C(C(=C1)C(F)(F)F)NC(=O)CCl	GCSXEMRXTRHXIS-UHFFFAOYSA-N	2-chloro-N-[2-(trifluoromethyl)phenyl]acetamide
LDCM0476	CL82	736835	N-(1,3-benzodioxol-5-ylmethyl)-2-chloroacetamide; 40023-03-8; N-(Benzo[d][1,3]dioxol-5-ylmethyl)-2-chloroacetamide; N-(2H-1,3-benzodioxol-5-ylmethyl)-2-chloroacetamide; SCHEMBL3567133; DTXSID10353115; PLXGAUGZSOPIIG-UHFFFAOYSA-N; BBL008435; MFCD02317455; STK415757; AKOS000103341; BS-10287; PD194681; DB-069916; CS-0206002; EN300-01658; G29987; SR-01000039862; N-[(1,3-dioxaindan-5-yl)methyl]-2-chloroacetamide; SR-01000039862-1; Z56889407; F2190-0213; N-[1-(3,4-methylenedioxyphenyl)methyl]-2-chloroacetamide	227.64	C10H10ClNO3	47.6	237	1.7	15	1	3	3	InChI=1S/C10H10ClNO3/c11-4-10(13)12-5-7-1-2-8-9(3-7)15-6-14-8/h1-3H,4-6H2,(H,12,13)	C1OC2=C(O1)C=C(C=C2)CNC(=O)CCl	C1OC2=C(O1)C=C(C=C2)CNC(=O)CCl	PLXGAUGZSOPIIG-UHFFFAOYSA-N	N-(1,3-benzodioxol-5-ylmethyl)-2-chloroacetamide
LDCM0477	CL83	14511503	2-chloro-N-[1-(naphthalen-1-yl)ethyl]acetamide; 131149-67-2; 2-chloro-N-[1-(1-naphthyl)ethyl]acetamide; 2-chloro-N-(1-naphthalen-1-ylethyl)acetamide; 2-CHLORO-N-(1-(NAPHTHALEN-1-YL)ETHYL)ACETAMIDE; SCHEMBL4036593; AKOS001213783; AKOS016893088; AT33082; UPCMLD0ENAT5534246:001; PD194688; CS-0241280; EN300-23213; Z147651784	247.72	C14H14ClNO	29.1	269	3.3	17	1	1	3	InChI=1S/C14H14ClNO/c1-10(16-14(17)9-15)12-8-4-6-11-5-2-3-7-13(11)12/h2-8,10H,9H2,1H3,(H,16,17)	CC(C1=CC=CC2=CC=CC=C21)NC(=O)CCl	CC(C1=CC=CC2=CC=CC=C21)NC(=O)CCl	FACKLPCSVDLOKS-UHFFFAOYSA-N	2-chloro-N-(1-naphthalen-1-ylethyl)acetamide
LDCM0478	CL84	2450175	2-chloro-N-methyl-N-(2-methylbenzyl)acetamide; 2-chloro-N-methyl-N-[(2-methylphenyl)methyl]acetamide; 851175-23-0; DTXSID701211986; AKOS008967717; CS-0224344; EN300-11901; G24033; J-509151; Z57051069	211.69	C11H14ClNO	20.3	196	2.2	14	0	1	3	InChI=1S/C11H14ClNO/c1-9-5-3-4-6-10(9)8-13(2)11(14)7-12/h3-6H,7-8H2,1-2H3	CC1=CC=CC=C1CN(C)C(=O)CCl	CC1=CC=CC=C1CN(C)C(=O)CCl	OPKQDGDFVIAJGX-UHFFFAOYSA-N	2-chloro-N-methyl-N-[(2-methylphenyl)methyl]acetamide
LDCM0479	CL85	4961835	2-chloro-N-[1-(2-methoxyphenyl)ethyl]acetamide; 40023-06-1; 2-Chloro-N-(1-(2-methoxyphenyl)ethyl)acetamide; DTXSID60406948; AKOS008039072; CS-0225116; EN300-12276; G76064; J-509109; Z85921033	227.69	C11H14ClNO2	38.3	211	2	15	1	2	4	InChI=1S/C11H14ClNO2/c1-8(13-11(14)7-12)9-5-3-4-6-10(9)15-2/h3-6,8H,7H2,1-2H3,(H,13,14)	CC(C1=CC=CC=C1OC)NC(=O)CCl	CC(C1=CC=CC=C1OC)NC(=O)CCl	FULKALPYHHSNAS-UHFFFAOYSA-N	2-chloro-N-[1-(2-methoxyphenyl)ethyl]acetamide
LDCM0480	CL86	16450406	2-chloro-N-(4-cyano-1-phenyl-1H-pyrazol-5-yl)acetamide; 397860-10-5; 2-chloro-N-(4-cyano-2-phenylpyrazol-3-yl)acetamide; AKOS000269776; UPCMLD0ENAT5832596:001; CS-0249903; EN300-46061; G40389; Z353720732	260.68	C12H9ClN4O	70.7	347	2.3	18	1	3	3	InChI=1S/C12H9ClN4O/c13-6-11(18)16-12-9(7-14)8-15-17(12)10-4-2-1-3-5-10/h1-5,8H,6H2,(H,16,18)	C1=CC=C(C=C1)N2C(=C(C=N2)C#N)NC(=O)CCl	C1=CC=C(C=C1)N2C(=C(C=N2)C#N)NC(=O)CCl	BDMOFSSKCYDHFR-UHFFFAOYSA-N	2-chloro-N-(4-cyano-2-phenylpyrazol-3-yl)acetamide
LDCM0481	CL87	599269	2-Chloro-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)acetamide; 300727-15-5; 2-chloro-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide; DTXSID90344763; WITNPEBNOYWOGB-UHFFFAOYSA-N; MFCD00745117; STK670042; AKOS000122378; AS-8767; CS-0221445; EN300-09155; 5-(2-Chloroacetamido)-3-methyl-1-phenylpyrazole; 2-Chloro-N-(3-methyl-1-phenyl-5-pyrazolyl)acetamide; Z55993038; 2-Chloro-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)acetamide #	249.69	C12H12ClN3O	46.9	269	2.4	17	1	2	3	InChI=1S/C12H12ClN3O/c1-9-7-11(14-12(17)8-13)16(15-9)10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,14,17)	CC1=NN(C(=C1)NC(=O)CCl)C2=CC=CC=C2	CC1=NN(C(=C1)NC(=O)CCl)C2=CC=CC=C2	WITNPEBNOYWOGB-UHFFFAOYSA-N	2-chloro-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide
LDCM0482	CL88	52908095	1311314-36-9; 1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-chloroethan-1-one; 1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-chloroethanone; 1-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-2-chloroethan-1-one; SCHEMBL22481550; AKOS034078658; EN300-46326; G37996; Z291278928; 1-{4-[(azepan-1-yl)carbonyl]piperidin-1-yl}-2-chloroethan-1-one	286.8	C14H23ClN2O2	40.6	319	1.5	19	0	2	2	InChI=1S/C14H23ClN2O2/c15-11-13(18)16-9-5-12(6-10-16)14(19)17-7-3-1-2-4-8-17/h12H,1-11H2	C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)CCl	C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)CCl	MTGHNEJOAHCQBK-UHFFFAOYSA-N	1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-chloroethanone
LDCM0483	CL89	39869424	2-chloro-N-[(1-phenylcyclopropyl)methyl]acetamide; 1087792-01-5; AKOS026726761; EN300-28364; F73582; Z258588668	223.7	C12H14ClNO	29.1	232	2.4	15	1	1	4	InChI=1S/C12H14ClNO/c13-8-11(15)14-9-12(6-7-12)10-4-2-1-3-5-10/h1-5H,6-9H2,(H,14,15)	C1CC1(CNC(=O)CCl)C2=CC=CC=C2	C1CC1(CNC(=O)CCl)C2=CC=CC=C2	MNQFKJOYCGFKKX-UHFFFAOYSA-N	2-chloro-N-[(1-phenylcyclopropyl)methyl]acetamide
LDCM0484	CL9	3383868	2-chloro-N-(2,5-dimethylphenyl)acetamide; 5177-35-5; N-(Chloroacetyl)-2,5-dimethylaniline; YC5D995DD5; Acetamide, 2-chloro-N-(2,5-dimethylphenyl)-; 2',5'-Acetoxylidide, 2-chloro-; MFCD00032559; N-(2,5-dimethylphenyl)-2-chloroacetamide; 2-Chloro-N-(2,5-dimethylphenyl)acetamide; 2-Chloro-2',5'-acetoxylidide;; UNII-YC5D995DD5; SCHEMBL4001716; DTXSID80391983; STK117725; AKOS000265126; 2-CHLORO-2',5'-ACETOXYLIDIDE; NCGC00336662-01; BS-10276; CS-0307528; EN300-01662; G54462; AB01330188-02; Z56867229; F0307-0236	197.66	C10H12ClNO	29.1	184	2.1	13	1	1	2	InChI=1S/C10H12ClNO/c1-7-3-4-8(2)9(5-7)12-10(13)6-11/h3-5H,6H2,1-2H3,(H,12,13)	CC1=CC(=C(C=C1)C)NC(=O)CCl	CC1=CC(=C(C=C1)C)NC(=O)CCl	HNZGXKCXAZJSSV-UHFFFAOYSA-N	2-chloro-N-(2,5-dimethylphenyl)acetamide
LDCM0485	CL90	1133996	436094-95-0; 2-chloro-N-[4-(thiophen-2-yl)-1,3-thiazol-2-yl]acetamide; 2-Chloro-N-[4-(2-thienyl)-1,3-thiazol-2-yl]acetamide; 2-chloro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide; MFCD03389176; AKOS000669598; CS-0249928; EN300-47077; G37485; SR-01000344626; SR-01000344626-1; Z561231266	258.8	C9H7ClN2OS2	98.5	242	2.5	15	1	4	3	InChI=1S/C9H7ClN2OS2/c10-4-8(13)12-9-11-6(5-15-9)7-2-1-3-14-7/h1-3,5H,4H2,(H,11,12,13)	C1=CSC(=C1)C2=CSC(=N2)NC(=O)CCl	C1=CSC(=C1)C2=CSC(=N2)NC(=O)CCl	MOSQPGNLODTNJR-UHFFFAOYSA-N	2-chloro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
LDCM0486	CL91	71756150	2-chloro-N-[5-methyl-2-(5-methyl-4H-1,2,4-triazol-3-yl)phenyl]acetamide; 1421601-84-4; 2-chloro-N-[5-methyl-2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide; AKOS033964591; CS-0231303; EN300-107840; Z1416063849	264.71	C12H13ClN4O	70.7	302	2.2	18	2	3	3	InChI=1S/C12H13ClN4O/c1-7-3-4-9(12-14-8(2)16-17-12)10(5-7)15-11(18)6-13/h3-5H,6H2,1-2H3,(H,15,18)(H,14,16,17)	CC1=CC(=C(C=C1)C2=NNC(=N2)C)NC(=O)CCl	CC1=CC(=C(C=C1)C2=NNC(=N2)C)NC(=O)CCl	ZIFUKRXYTLSTRZ-UHFFFAOYSA-N	2-chloro-N-[5-methyl-2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
LDCM0487	CL92	137639	2-chloro-N-(3-chlorophenyl)acetamide; 2564-05-8; Acetanilide, 2,3'-dichloro-; Acetamide, 2-chloro-N-(3-chlorophenyl)-; NSC 8368; N1-(3-chlorophenyl)-2-chloroacetamide; 3-Chloro-N-(chloroacetyl)aniline; MFCD00018896; Acetamide,2-chloro-N-(3-chlorophenyl)-; Acetamide, N-(3-chlorophenyl)-2-chloro-; 2,3'-Dichloroacetanilide; NSC8368; N-chloroacetyl-m-chloroaniline; SCHEMBL4004381; Acetanilide, 2,3'-dichloro-,; DTXSID30180324; JS-094C; NSC-8368; STK118168; n-(3-chlorophenyl)-2-chloroacetamide; AKOS000266364; N-(3-chloro-phenyl)-2-chloroacetamide; SB77368; DB-015787; DB-361331; EN300-01653; F78511; 2-CHLORO-N~1~-(3-CHLOROPHENYL)ACETAMIDE; J-509066; W-204267; Z56869410	204.05	C8H7Cl2NO	29.1	163	2.8	12	1	1	2	InChI=1S/C8H7Cl2NO/c9-5-8(12)11-7-3-1-2-6(10)4-7/h1-4H,5H2,(H,11,12)	C1=CC(=CC(=C1)Cl)NC(=O)CCl	C1=CC(=CC(=C1)Cl)NC(=O)CCl	KNVBYGNINQITJC-UHFFFAOYSA-N	2-chloro-N-(3-chlorophenyl)acetamide
LDCM0488	CL93	2404835	2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide; 379255-21-7; MFCD02965566; 2-Chloro-N-(4-chloro-2-methoxy-5-methyl-phenyl)-acetamide; F3308-0349; DTXSID20368533; AKOS000268714; BS-37873; DB-260942; CS-0218642; EN300-01593; G30481; Z56896263; 2-Chloro-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide, AldrichCPR	248.1	C10H11Cl2NO2	38.3	226	2.7	15	1	2	3	InChI=1S/C10H11Cl2NO2/c1-6-3-8(13-10(14)5-11)9(15-2)4-7(6)12/h3-4H,5H2,1-2H3,(H,13,14)	CC1=CC(=C(C=C1Cl)OC)NC(=O)CCl	CC1=CC(=C(C=C1Cl)OC)NC(=O)CCl	KEAHQUWUYVSPDR-UHFFFAOYSA-N	2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
LDCM0489	CL94	566661	59826-53-8; 2-chloro-N-(5-methylisoxazol-3-yl)acetamide; 2-Chloro-N-(5-methyl-isoxazol-3-yl)-acetamide; 2-chloro-N-(5-methyl-1,2-oxazol-3-yl)acetamide; 2-Chloro-N-(5-methyl-3-isoxazolyl)acetamide; CHEMBL1545480; acetamide, 2-chloro-n-(5-methyl-3-isoxazolyl)-; 3-chloroacetylamino-5-methyl isoxazole; MLS000719333; SCHEMBL4866373; CHEBI:92840; DTXSID90340705; HMS2665M08; BDBM50547614; MFCD03001122; STK208705; 3-(chloroacetamido)-5-methylisoxazole; AKOS000264154; FS-5663; PD193125; SMR000290870; UPCMLD0ENAT0513-6581:001; DB-028791; EN300-04999; 2-chloro-N-(5-methyl-isoxazol-3-yl)acetamide; G37533; 2-Chloro-N-(5-methyl-3-isoxazolyl)acetamide #; A923809; BRD-K48576794-001-04-0; Q27164598; Z56883164; F0917-7556; F1408-0183	174.58	C6H7ClN2O2	55.1	154	0.9	11	1	3	2	InChI=1S/C6H7ClN2O2/c1-4-2-5(9-11-4)8-6(10)3-7/h2H,3H2,1H3,(H,8,9,10)	CC1=CC(=NO1)NC(=O)CCl	CC1=CC(=NO1)NC(=O)CCl	DXJICGSIRAJIDN-UHFFFAOYSA-N	2-chloro-N-(5-methyl-1,2-oxazol-3-yl)acetamide
LDCM0490	CL95	9207780	1'-(2-chloroacetyl)-3',4'-dihydro-1'H-spiro[cyclopentane-1,2'-quinoxaline]-3'-one; 878259-34-8; 4-(2-chloroacetyl)spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one; 1'-(chloroacetyl)-1',4'-dihydro-3'H-spiro[cyclopentane-1,2'-quinoxalin]-3'-one; AKOS009089355; CS-0241931; EN300-24174; G53957; Z169854330	278.73	C14H15ClN2O2	49.4	393	1.9	19	1	2	1	InChI=1S/C14H15ClN2O2/c15-9-12(18)17-11-6-2-1-5-10(11)16-13(19)14(17)7-3-4-8-14/h1-2,5-6H,3-4,7-9H2,(H,16,19)	C1CCC2(C1)C(=O)NC3=CC=CC=C3N2C(=O)CCl	C1CCC2(C1)C(=O)NC3=CC=CC=C3N2C(=O)CCl	BTIMCYNWXHLWGI-UHFFFAOYSA-N	4-(2-chloroacetyl)spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one
LDCM0491	CL96	45792058	2-chloro-N-cyclopropyl-N-(thiophen-3-ylmethyl)acetamide; 1197909-94-6; 2-Chloro-N-cyclopropyl-N-thiophen-3-ylmethyl-acetamide; AKOS010394346; AM91084; NCGC00337280-01; EN300-52703; G23483; AB01329247-02; AB01329247-03; Z756930208; 2-chloro-N-cyclopropyl-N-[(thiophen-3-yl)methyl]acetamide	229.73	C10H12ClNOS	48.6	220	2.1	14	0	2	4	InChI=1S/C10H12ClNOS/c11-5-10(13)12(9-1-2-9)6-8-3-4-14-7-8/h3-4,7,9H,1-2,5-6H2	C1CC1N(CC2=CSC=C2)C(=O)CCl	C1CC1N(CC2=CSC=C2)C(=O)CCl	ZFFAELAOSIKOLB-UHFFFAOYSA-N	2-chloro-N-cyclopropyl-N-(thiophen-3-ylmethyl)acetamide
LDCM0492	CL97	16226897	39086-68-5; 1-(chloroacetyl)decahydroquinoline; 2-Chloro-1-(octahydroquinolin-1(2H)-yl)ethanone; 2-Chloro-1-(decahydroquinolin-1-yl)ethan-1-one; 1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-chloroethanone; SCHEMBL770256; AKOS009075612; CS-0271711; EN300-22979; G32358; 2-Chloro-1-(octahydro-quinolin-1(2h)-yl)ethanone; J-508587; 2-Chloro-1-(octahydroquinolin-1(2h)-yl)ethan-1-one; 2-CHLORO-1-(OCTAHYDRO-2H-QUINOLIN-1-YL)ETHANONE; F8889-5343; Z147647782	215.72	C11H18ClNO	20.3	219	2.5	14	0	1	1	InChI=1S/C11H18ClNO/c12-8-11(14)13-7-3-5-9-4-1-2-6-10(9)13/h9-10H,1-8H2	C1CCC2C(C1)CCCN2C(=O)CCl	C1CCC2C(C1)CCCN2C(=O)CCl	RDTNIAJMHHVOCO-UHFFFAOYSA-N	1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-chloroethanone
LDCM0493	CL98	2404800	2-chloro-N-(2-chloro-4-fluorophenyl)acetamide; 379255-26-2; Acetamide, 2-chloro-N-(2-chloro-4-fluorophenyl)-; MFCD03147345; SCHEMBL10951824; DTXSID601253183; AKOS000103608; BS-11086; CS-0218647; EN300-01609; G54461; SR-01000040674; SR-01000040674-1; Z56896193	222.04	C8H6Cl2FNO	29.1	191	2.3	13	1	2	2	InChI=1S/C8H6Cl2FNO/c9-4-8(13)12-7-2-1-5(11)3-6(7)10/h1-3H,4H2,(H,12,13)	C1=CC(=C(C=C1F)Cl)NC(=O)CCl	C1=CC(=C(C=C1F)Cl)NC(=O)CCl	HJPWJWHCDKYHGR-UHFFFAOYSA-N	2-chloro-N-(2-chloro-4-fluorophenyl)acetamide
LDCM0494	CL99	283040	2-Chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide; 21521-87-9; 2-Chloro-N-(5-methyl-[1,3,4]thiadiazol-2-yl)-acetamide; MFCD00500796; NSC137229; DTXSID40300495; YDRMIMUGNZLYMQ-UHFFFAOYSA-N; STK231322; AKOS000100157; NSC-137229; LS-01171; DB-028471; EN300-10421; F71534; 2-(2-Chloroacetamido)-5-methyl-1,3,4-thiadiazole; Z57008931; F0900-1383; 2-Chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl) acetamide; 2-Chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide #	191.64	C5H6ClN3OS	83.1	157	0.9	11	1	4	2	InChI=1S/C5H6ClN3OS/c1-3-8-9-5(11-3)7-4(10)2-6/h2H2,1H3,(H,7,9,10)	CC1=NN=C(S1)NC(=O)CCl	CC1=NN=C(S1)NC(=O)CCl	YDRMIMUGNZLYMQ-UHFFFAOYSA-N	2-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
LDCM0495	E2913	3382682	2-chloro-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]acetamide; 28439-15-8; 2-chloro-N-{4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl}acetamide; STL099234; AKOS002667761; EN300-18328991; Z62472348	354.8	C14H15ClN4O3S	109	503	1.7	23	2	6	5	InChI=1S/C14H15ClN4O3S/c1-9-7-13(17-10(2)16-9)19-23(21,22)12-5-3-11(4-6-12)18-14(20)8-15/h3-7H,8H2,1-2H3,(H,18,20)(H,16,17,19)	CC1=CC(=NC(=N1)C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CCl	CC1=CC(=NC(=N1)C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CCl	HKOIQRZZJUDBPY-UHFFFAOYSA-N	2-chloro-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]acetamide
LDCM0496	Nucleophilic fragment 11a	67272911	2-cyano-N-cyclohexyl-N-phenylacetamide; SCHEMBL2085476	242.32	C15H18N2O	44.1	319	3	18	0	2	3	InChI=1S/C15H18N2O/c16-12-11-15(18)17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1,3-4,7-8,14H,2,5-6,9-11H2	C1CCC(CC1)N(C2=CC=CC=C2)C(=O)CC#N	C1CCC(CC1)N(C2=CC=CC=C2)C(=O)CC#N	IZDSNWBJVGMQBQ-UHFFFAOYSA-N	2-cyano-N-cyclohexyl-N-phenylacetamide
LDCM0497	Nucleophilic fragment 11b	168268648	N-cyclohexyl-2-nitro-N-phenylacetamide	262.3	C14H18N2O3	66.1	315	3.1	19	0	3	3	InChI=1S/C14H18N2O3/c17-14(11-15(18)19)16(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1,3-4,7-8,13H,2,5-6,9-11H2	C1CCC(CC1)N(C2=CC=CC=C2)C(=O)C[N+](=O)[O-]	C1CCC(CC1)N(C2=CC=CC=C2)C(=O)C[N+](=O)[O-]	HGSYNOCROBTNOS-UHFFFAOYSA-N	N-cyclohexyl-2-nitro-N-phenylacetamide
LDCM0498	BS-3668	24702914	2-Cyano-N-(3,5-dimethoxyphenyl)acetamide; 498012-47-8; SCHEMBL6316001; CHEMBL5011091; MFCD09942119; STK903308; AKOS000187992; BS-3668	220.22	C11H12N2O3	71.4	272	1.5	16	1	4	4	InChI=1S/C11H12N2O3/c1-15-9-5-8(6-10(7-9)16-2)13-11(14)3-4-12/h5-7H,3H2,1-2H3,(H,13,14)	COC1=CC(=CC(=C1)NC(=O)CC#N)OC	COC1=CC(=CC(=C1)NC(=O)CC#N)OC	VRSCQHORPYNADT-UHFFFAOYSA-N	2-cyano-N-(3,5-dimethoxyphenyl)acetamide
LDCM0499	Nucleophilic fragment 12b	168268649	N-(3,5-dimethoxyphenyl)-2-nitroacetamide	240.21	C10H12N2O5	93.4	266	1.6	17	1	5	4	InChI=1S/C10H12N2O5/c1-16-8-3-7(4-9(5-8)17-2)11-10(13)6-12(14)15/h3-5H,6H2,1-2H3,(H,11,13)	COC1=CC(=CC(=C1)NC(=O)C[N+](=O)[O-])OC	COC1=CC(=CC(=C1)NC(=O)C[N+](=O)[O-])OC	SIBLCQCZSYFINW-UHFFFAOYSA-N	N-(3,5-dimethoxyphenyl)-2-nitroacetamide
LDCM0500	Nucleophilic fragment 13a	10847403	N-([1,1'-Biphenyl]-4-yl)-2-cyanoacetamide; 168152-04-3; 2-cyano-N-(4-phenylphenyl)acetamide; N-{[1,1'-biphenyl]-4-yl}-2-cyanoacetamide; starbld0005510; SCHEMBL2265546; AKOS005061858; BS-48346; F76543	236.27	C15H12N2O	52.9	317	3.2	18	1	2	3	InChI=1S/C15H12N2O/c16-11-10-15(18)17-14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9H,10H2,(H,17,18)	C1=CC=C(C=C1)C2=CC=C(C=C2)NC(=O)CC#N	C1=CC=C(C=C1)C2=CC=C(C=C2)NC(=O)CC#N	CKLGDXPOAYCXBK-UHFFFAOYSA-N	2-cyano-N-(4-phenylphenyl)acetamide
LDCM0501	Nucleophilic fragment 13b	88141426	SCHEMBL7428098; N-([1,1'-biphenyl]-4-yl)-2-nitroacetamide	256.26	C14H12N2O3	74.9	313	3.3	19	1	3	3	InChI=1S/C14H12N2O3/c17-14(10-16(18)19)15-13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9H,10H2,(H,15,17)	C1=CC=C(C=C1)C2=CC=C(C=C2)NC(=O)C[N+](=O)[O-]	C1=CC=C(C=C1)C2=CC=C(C=C2)NC(=O)C[N+](=O)[O-]	KHCLQSAYJCLLCO-UHFFFAOYSA-N	2-nitro-N-(4-phenylphenyl)acetamide
LDCM0502	1-(Cyanoacetyl)piperidine	84765	15029-30-8; 1-Cyanoacetylpiperidine; 3-oxo-3-(piperidin-1-yl)propanenitrile; 1-(Cyanoacetyl)piperidine; 3-oxo-3-piperidin-1-ylpropanenitrile; Piperidine, 1-(cyanoacetyl)-; N-Cyanoacetylpiperidine; MFCD00006487; 1-Piperidinepropanenitrile, beta-oxo-; N-(2-Cyanoacetyl)piperidine; 3-oxo-3-piperidylpropanenitrile; 1-Piperidinepropanenitrile,b-oxo-; EINECS 239-111-6; NSC102772; Maybridge1_000171; cyanoacetic acid piperidide; MixCom1_000325; 1-Cyanoacetylpiperidine, 98%; SCHEMBL1002719; DTXSID80164513; ALBB-008630; STK411068; 3-oxo-3-(1-piperidyl)propanenitrile; AKOS000120942; NSC 102772; NSC-102772; SB41679; SY078806; 3-Oxo-3-(1-piperidinyl)propanenitrile #; DB-043048; CS-0155272; NS00024914; EN300-16939; 5N-819; F19981; J-640191; J-800192; Z56824663	152.19	C8H12N2O	44.1	186	0.5	11	0	2	1	InChI=1S/C8H12N2O/c9-5-4-8(11)10-6-2-1-3-7-10/h1-4,6-7H2	C1CCN(CC1)C(=O)CC#N	C1CCN(CC1)C(=O)CC#N	ANLQHFYDQPMDJY-UHFFFAOYSA-N	3-oxo-3-piperidin-1-ylpropanenitrile
LDCM0503	Nucleophilic fragment 14b	12624440	SCHEMBL8040209; 2-nitro-1-(piperidin-1-yl)ethan-1-one	172.18	C7H12N2O3	66.1	182	0.6	12	0	3	1	InChI=1S/C7H12N2O3/c10-7(6-9(11)12)8-4-2-1-3-5-8/h1-6H2	C1CCN(CC1)C(=O)C[N+](=O)[O-]	C1CCN(CC1)C(=O)C[N+](=O)[O-]	MCNDVTWIGDQNLJ-UHFFFAOYSA-N	2-nitro-1-piperidin-1-ylethanone
LDCM0504	Nucleophilic fragment 15a	2345544	N-1,3-benzodioxol-5-yl-2-cyanoacetamide; 142555-09-7; N-(1,3-benzodioxol-5-yl)-2-cyanoacetamide; N-(Benzo[d][1,3]dioxol-5-yl)-2-cyanoacetamide; N-(2H-1,3-benzodioxol-5-yl)-2-cyanoacetamide; Enamine_002949; Oprea1_016609; DTXSID801278731; HMS1402G01; BBL017190; MFCD03152807; STK441903; AKOS000245250; VS-05933; CS-0305677; Z56827833	204.18	C10H8N2O3	71.4	296	1.2	15	1	4	2	InChI=1S/C10H8N2O3/c11-4-3-10(13)12-7-1-2-8-9(5-7)15-6-14-8/h1-2,5H,3,6H2,(H,12,13)	C1OC2=C(O1)C=C(C=C2)NC(=O)CC#N	C1OC2=C(O1)C=C(C=C2)NC(=O)CC#N	IPGDELMADGDOMC-UHFFFAOYSA-N	N-(1,3-benzodioxol-5-yl)-2-cyanoacetamide
LDCM0505	Nucleophilic fragment 15b	108814499	N-(benzo[d][1,3]dioxol-5-yl)-2-nitroacetamide	224.17	C9H8N2O5	93.4	290	1.3	16	1	5	2	InChI=1S/C9H8N2O5/c12-9(4-11(13)14)10-6-1-2-7-8(3-6)16-5-15-7/h1-3H,4-5H2,(H,10,12)	C1OC2=C(O1)C=C(C=C2)NC(=O)C[N+](=O)[O-]	C1OC2=C(O1)C=C(C=C2)NC(=O)C[N+](=O)[O-]	BHRHVEUMMYMDFK-UHFFFAOYSA-N	N-(1,3-benzodioxol-5-yl)-2-nitroacetamide
LDCM0506	Nucleophilic fragment 16a	384622	2-cyano-N-[2-(1H-indol-3-yl)ethyl]acetamide; N-(2-(1H-Indol-3-yl)ethyl)-2-cyanoacetamide; 103344-22-5; NSC674635; 2-Cyano-N-(2-(1H-indol-3-yl)ethyl)acetamide; Oprea1_215345; Oprea1_613823; SCHEMBL3425713; JKKUAODPKMDWHF-UHFFFAOYSA-N; STL286761; AKOS016340984; NSC-674635; CS-0339744; N-[2-(1H-indol-3-yl) ethyl]-2-cyano acetamide; 2-CYANO-N~1~-[2-(1H-INDOL-3-YL)ETHYL]ACETAMIDE	227.26	C13H13N3O	68.7	320	1.7	17	2	2	4	InChI=1S/C13H13N3O/c14-7-5-13(17)15-8-6-10-9-16-12-4-2-1-3-11(10)12/h1-4,9,16H,5-6,8H2,(H,15,17)	C1=CC=C2C(=C1)C(=CN2)CCNC(=O)CC#N	C1=CC=C2C(=C1)C(=CN2)CCNC(=O)CC#N	JKKUAODPKMDWHF-UHFFFAOYSA-N	2-cyano-N-[2-(1H-indol-3-yl)ethyl]acetamide
LDCM0507	Nucleophilic fragment 16b	108814504	N-(2-(1H-indol-3-yl)ethyl)-2-nitroacetamide	247.25	C12H13N3O3	90.7	316	1.8	18	2	3	4	InChI=1S/C12H13N3O3/c16-12(8-15(17)18)13-6-5-9-7-14-11-4-2-1-3-10(9)11/h1-4,7,14H,5-6,8H2,(H,13,16)	C1=CC=C2C(=C1)C(=CN2)CCNC(=O)C[N+](=O)[O-]	C1=CC=C2C(=C1)C(=CN2)CCNC(=O)C[N+](=O)[O-]	DWQYWZWSBXKRMG-UHFFFAOYSA-N	N-[2-(1H-indol-3-yl)ethyl]-2-nitroacetamide
LDCM0508	Nucleophilic fragment 17a	106511105	N-(4-bromo-3,5-dimethylphenyl)-2-cyanoacetamide	267.12	C11H11BrN2O	52.9	272	3.7	15	1	2	2	InChI=1S/C11H11BrN2O/c1-7-5-9(6-8(2)11(7)12)14-10(15)3-4-13/h5-6H,3H2,1-2H3,(H,14,15)	CC1=CC(=CC(=C1Br)C)NC(=O)CC#N	CC1=CC(=CC(=C1Br)C)NC(=O)CC#N	BQMBILATZVSPKD-UHFFFAOYSA-N	N-(4-bromo-3,5-dimethylphenyl)-2-cyanoacetamide
LDCM0509	N-(4-bromo-3,5-dimethylphenyl)-2-nitroacetamide	168268650	N-(4-bromo-3,5-dimethylphenyl)-2-nitroacetamide	287.11	C10H11BrN2O3	74.9	268	3.8	16	1	3	2	InChI=1S/C10H11BrN2O3/c1-6-3-8(4-7(2)10(6)11)12-9(14)5-13(15)16/h3-4H,5H2,1-2H3,(H,12,14)	CC1=CC(=CC(=C1Br)C)NC(=O)C[N+](=O)[O-]	CC1=CC(=CC(=C1Br)C)NC(=O)C[N+](=O)[O-]	AYBNEKBTBRENIL-UHFFFAOYSA-N	N-(4-bromo-3,5-dimethylphenyl)-2-nitroacetamide
LDCM0510	3-(4-(Hydroxydiphenylmethyl)piperidin-1-yl)-3-oxopropanenitrile	168268651	3-(4-(hydroxydiphenylmethyl)piperidin-1-yl)-3-oxopropanenitrile	334.4	C21H22N2O2	64.3	471	2.7	25	1	3	4	InChI=1S/C21H22N2O2/c22-14-11-20(24)23-15-12-19(13-16-23)21(25,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,19,25H,11-13,15-16H2	C1CN(CCC1C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C(=O)CC#N	C1CN(CCC1C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C(=O)CC#N	OITIBQLJKFJUSW-UHFFFAOYSA-N	3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-3-oxopropanenitrile
LDCM0511	Nucleophilic fragment 18b	168268652	1-(4-(hydroxydiphenylmethyl)piperidin-1-yl)-2-nitroethan-1-one	354.4	C20H22N2O4	86.4	467	2.8	26	1	4	4	InChI=1S/C20H22N2O4/c23-19(15-22(25)26)21-13-11-18(12-14-21)20(24,16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,18,24H,11-15H2	C1CN(CCC1C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C(=O)C[N+](=O)[O-]	C1CN(CCC1C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C(=O)C[N+](=O)[O-]	QDHQFLIKQLRUAX-UHFFFAOYSA-N	1-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-2-nitroethanone
LDCM0512	Nucleophilic fragment 19a	1540933	3-(4-benzylpiperidin-1-yl)-3-oxopropanenitrile; 551907-33-6; 3-oxidanylidene-3-[4-(phenylmethyl)piperidin-1-yl]propanenitrile; BBL017072; MFCD01353601; STK440019; AKOS003268929; SB44080; VS-05827; EN300-6587705; Z391876474	242.32	C15H18N2O	44.1	317	2.3	18	0	2	3	InChI=1S/C15H18N2O/c16-9-6-15(18)17-10-7-14(8-11-17)12-13-4-2-1-3-5-13/h1-5,14H,6-8,10-12H2	C1CN(CCC1CC2=CC=CC=C2)C(=O)CC#N	C1CN(CCC1CC2=CC=CC=C2)C(=O)CC#N	ZCRMYTZFCMQXHR-UHFFFAOYSA-N	3-(4-benzylpiperidin-1-yl)-3-oxopropanenitrile
LDCM0513	Nucleophilic fragment 19b	108814318	1-(4-benzylpiperidin-1-yl)-2-nitroethan-1-one	262.3	C14H18N2O3	66.1	313	2.4	19	0	3	3	InChI=1S/C14H18N2O3/c17-14(11-16(18)19)15-8-6-13(7-9-15)10-12-4-2-1-3-5-12/h1-5,13H,6-11H2	C1CN(CCC1CC2=CC=CC=C2)C(=O)C[N+](=O)[O-]	C1CN(CCC1CC2=CC=CC=C2)C(=O)C[N+](=O)[O-]	FXWORABGEHVZEV-UHFFFAOYSA-N	1-(4-benzylpiperidin-1-yl)-2-nitroethanone
LDCM0514	Nucleophilic fragment 20a	168268653	3-(4-(2-morpholino-2-oxoethyl)piperazin-1-yl)-3-oxopropanenitrile	280.32	C13H20N4O3	76.9	403	-1.4	20	0	5	3	InChI=1S/C13H20N4O3/c14-2-1-12(18)16-5-3-15(4-6-16)11-13(19)17-7-9-20-10-8-17/h1,3-11H2	C1CN(CCN1CC(=O)N2CCOCC2)C(=O)CC#N	C1CN(CCN1CC(=O)N2CCOCC2)C(=O)CC#N	VDFCZUDVKMLXCF-UHFFFAOYSA-N	3-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-3-oxopropanenitrile
LDCM0515	Nucleophilic fragment 20b	168268654	1-morpholino-2-(4-(2-nitroacetyl)piperazin-1-yl)ethan-1-one	300.31	C12H20N4O5	98.9	397	-1.3	21	0	6	3	InChI=1S/C12H20N4O5/c17-11(15-5-7-21-8-6-15)9-13-1-3-14(4-2-13)12(18)10-16(19)20/h1-10H2	C1CN(CCN1CC(=O)N2CCOCC2)C(=O)C[N+](=O)[O-]	C1CN(CCN1CC(=O)N2CCOCC2)C(=O)C[N+](=O)[O-]	YAWODTGSILYTOT-UHFFFAOYSA-N	1-morpholin-4-yl-2-[4-(2-nitroacetyl)piperazin-1-yl]ethanone
LDCM0516	Nucleophilic fragment 21a	168268655	3-(4-(5-fluorobenzo[d]isoxazol-3-yl)piperidin-1-yl)-3-oxopropanenitrile	287.29	C15H14FN3O2	70.1	441	1.8	21	0	5	2	InChI=1S/C15H14FN3O2/c16-11-1-2-13-12(9-11)15(18-21-13)10-4-7-19(8-5-10)14(20)3-6-17/h1-2,9-10H,3-5,7-8H2	C1CN(CCC1C2=NOC3=C2C=C(C=C3)F)C(=O)CC#N	C1CN(CCC1C2=NOC3=C2C=C(C=C3)F)C(=O)CC#N	JRRIPIFJHNLZIV-UHFFFAOYSA-N	3-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-oxopropanenitrile
LDCM0517	Nucleophilic fragment 21b	168268656	1-(4-(5-fluorobenzo[d]isoxazol-3-yl)piperidin-1-yl)-2-nitroethan-1-one	307.28	C14H14FN3O4	92.2	436	1.9	22	0	6	2	InChI=1S/C14H14FN3O4/c15-10-1-2-12-11(7-10)14(16-22-12)9-3-5-17(6-4-9)13(19)8-18(20)21/h1-2,7,9H,3-6,8H2	C1CN(CCC1C2=NOC3=C2C=C(C=C3)F)C(=O)C[N+](=O)[O-]	C1CN(CCC1C2=NOC3=C2C=C(C=C3)F)C(=O)C[N+](=O)[O-]	JQEIYKGQNMGGQA-UHFFFAOYSA-N	1-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-nitroethanone
LDCM0518	Nucleophilic fragment 22a	168268657	3-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)-3-oxopropanenitrile	230.26	C13H14N2O2	53.3	334	1.5	17	0	3	2	InChI=1S/C13H14N2O2/c1-17-11-4-5-12-10(9-11)3-2-8-15(12)13(16)6-7-14/h4-5,9H,2-3,6,8H2,1H3	COC1=CC2=C(C=C1)N(CCC2)C(=O)CC#N	COC1=CC2=C(C=C1)N(CCC2)C(=O)CC#N	HPRAJFICWURPAB-UHFFFAOYSA-N	3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropanenitrile
LDCM0519	1-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)-2-nitroethan-1-one	168268658	1-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)-2-nitroethan-1-one	250.25	C12H14N2O4	75.4	329	1.6	18	0	4	2	InChI=1S/C12H14N2O4/c1-18-10-4-5-11-9(7-10)3-2-6-13(11)12(15)8-14(16)17/h4-5,7H,2-3,6,8H2,1H3	COC1=CC2=C(C=C1)N(CCC2)C(=O)C[N+](=O)[O-]	COC1=CC2=C(C=C1)N(CCC2)C(=O)C[N+](=O)[O-]	GMGHFGHTZRRQND-UHFFFAOYSA-N	1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-nitroethanone
LDCM0520	AKOS000195272	24711684	AKOS000195272; 3-(2-methyl-3,4-dihydroquinolin-1(2H)-yl)-3-oxopropanenitrile	214.26	C13H14N2O	44.1	317	2	16	0	2	1	InChI=1S/C13H14N2O/c1-10-6-7-11-4-2-3-5-12(11)15(10)13(16)8-9-14/h2-5,10H,6-8H2,1H3	CC1CCC2=CC=CC=C2N1C(=O)CC#N	CC1CCC2=CC=CC=C2N1C(=O)CC#N	ZBXGQNDMQVVZHF-UHFFFAOYSA-N	3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropanenitrile
LDCM0521	Nucleophilic fragment 23b	168268659	1-(2-methyl-3,4-dihydroquinolin-1(2H)-yl)-2-nitroethan-1-one	234.25	C12H14N2O3	66.1	313	2.1	17	0	3	1	InChI=1S/C12H14N2O3/c1-9-6-7-10-4-2-3-5-11(10)14(9)12(15)8-13(16)17/h2-5,9H,6-8H2,1H3	CC1CCC2=CC=CC=C2N1C(=O)C[N+](=O)[O-]	CC1CCC2=CC=CC=C2N1C(=O)C[N+](=O)[O-]	OQYBICGSUWGVPP-UHFFFAOYSA-N	1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-nitroethanone
LDCM0522	Nucleophilic fragment 24a	83292514	2-cyano-N-(2-(2-methoxyphenoxy)ethyl)acetamide; 2-cyano-N-[2-(2-methoxy-phenoxy)-ethyl]-acetamide	234.25	C12H14N2O3	71.4	285	1.1	17	1	4	6	InChI=1S/C12H14N2O3/c1-16-10-4-2-3-5-11(10)17-9-8-14-12(15)6-7-13/h2-5H,6,8-9H2,1H3,(H,14,15)	COC1=CC=CC=C1OCCNC(=O)CC#N	COC1=CC=CC=C1OCCNC(=O)CC#N	FXENMMYTKHRIIB-UHFFFAOYSA-N	2-cyano-N-[2-(2-methoxyphenoxy)ethyl]acetamide
LDCM0523	Nucleophilic fragment 24b	168268660	N-(2-(2-methoxyphenoxy)ethyl)-2-nitroacetamide	254.24	C11H14N2O5	93.4	279	1.2	18	1	5	6	InChI=1S/C11H14N2O5/c1-17-9-4-2-3-5-10(9)18-7-6-12-11(14)8-13(15)16/h2-5H,6-8H2,1H3,(H,12,14)	COC1=CC=CC=C1OCCNC(=O)C[N+](=O)[O-]	COC1=CC=CC=C1OCCNC(=O)C[N+](=O)[O-]	KAMCHCSMCNFHEU-UHFFFAOYSA-N	N-[2-(2-methoxyphenoxy)ethyl]-2-nitroacetamide
LDCM0524	2-Cyano-N-(2-morpholin-4-yl-ethyl)-acetamide	2404875	15029-26-2; 2-Cyano-N-(2-morpholin-4-yl-ethyl)-acetamide; 2-cyano-N-(2-morpholinoethyl)acetamide; 2-cyano-N-(2-morpholin-4-ylethyl)acetamide; 2-cyano-N-[2-(morpholin-4-yl)ethyl]acetamide; Acetamide, 2-cyano-N-[2-(4-morpholinyl)ethyl]-; MFCD03147215; Enamine_005230; Oprea1_592855; SCHEMBL22803080; DTXSID60368537; XTRYMEQPQFHLFW-UHFFFAOYSA-N; HMS1408N16; ALBB-028163; 2-cyano-N-2-morpholinoethylacetamide; BBL025635; STL365610; AKOS000115290; IDI1_007817; 2-cyano-N-(2- morpholinoethyl)acetamide; VS-08036; DB-063851; CS-0307488; 2-cyano-N-(2-morpholin-4-ylethyl)ethanamide; 2-cyano-N-[2-(4-morpholinyl)ethyl]acetamide; EN300-01320; G37413; A809028; Z56896323; F2199-0290	197.23	C9H15N3O2	65.4	228	-0.9	14	1	4	4	InChI=1S/C9H15N3O2/c10-2-1-9(13)11-3-4-12-5-7-14-8-6-12/h1,3-8H2,(H,11,13)	C1COCCN1CCNC(=O)CC#N	C1COCCN1CCNC(=O)CC#N	XTRYMEQPQFHLFW-UHFFFAOYSA-N	2-cyano-N-(2-morpholin-4-ylethyl)acetamide
LDCM0525	Nucleophilic fragment 25b	108814370	N-(2-morpholinoethyl)-2-nitroacetamide	217.22	C8H15N3O4	87.4	222	-0.8	15	1	5	4	InChI=1S/C8H15N3O4/c12-8(7-11(13)14)9-1-2-10-3-5-15-6-4-10/h1-7H2,(H,9,12)	C1COCCN1CCNC(=O)C[N+](=O)[O-]	C1COCCN1CCNC(=O)C[N+](=O)[O-]	OJMSBDDQZWHJIX-UHFFFAOYSA-N	N-(2-morpholin-4-ylethyl)-2-nitroacetamide
LDCM0526	Nucleophilic fragment 26a	110459647	3-(5-bromoindolin-1-yl)-3-oxopropanenitrile	265.11	C11H9BrN2O	44.1	309	1.9	15	0	2	1	InChI=1S/C11H9BrN2O/c12-9-1-2-10-8(7-9)4-6-14(10)11(15)3-5-13/h1-2,7H,3-4,6H2	C1CN(C2=C1C=C(C=C2)Br)C(=O)CC#N	C1CN(C2=C1C=C(C=C2)Br)C(=O)CC#N	XPNJBDIOHGKRLB-UHFFFAOYSA-N	3-(5-bromo-2,3-dihydroindol-1-yl)-3-oxopropanenitrile
LDCM0527	Nucleophilic fragment 26b	168268661	1-(5-bromoindolin-1-yl)-2-nitroethan-1-one	285.09	C10H9BrN2O3	66.1	305	2	16	0	3	1	InChI=1S/C10H9BrN2O3/c11-8-1-2-9-7(5-8)3-4-12(9)10(14)6-13(15)16/h1-2,5H,3-4,6H2	C1CN(C2=C1C=C(C=C2)Br)C(=O)C[N+](=O)[O-]	C1CN(C2=C1C=C(C=C2)Br)C(=O)C[N+](=O)[O-]	OVPLDNXBQKFUMU-UHFFFAOYSA-N	1-(5-bromo-2,3-dihydroindol-1-yl)-2-nitroethanone
LDCM0528	N-(4-bromophenyl)-2-cyano-N-phenylacetamide	168268662	N-(4-bromophenyl)-2-cyano-N-phenylacetamide	315.16	C15H11BrN2O	44.1	348	3.6	19	0	2	3	InChI=1S/C15H11BrN2O/c16-12-6-8-14(9-7-12)18(15(19)10-11-17)13-4-2-1-3-5-13/h1-9H,10H2	C1=CC=C(C=C1)N(C2=CC=C(C=C2)Br)C(=O)CC#N	C1=CC=C(C=C1)N(C2=CC=C(C=C2)Br)C(=O)CC#N	MQRCKNDVUICEQT-UHFFFAOYSA-N	N-(4-bromophenyl)-2-cyano-N-phenylacetamide
LDCM0529	Nucleophilic fragment 27b	168268663	N-(4-bromophenyl)-2-nitro-N-phenylacetamide	335.15	C14H11BrN2O3	66.1	345	3.7	20	0	3	3	InChI=1S/C14H11BrN2O3/c15-11-6-8-13(9-7-11)17(14(18)10-16(19)20)12-4-2-1-3-5-12/h1-9H,10H2	C1=CC=C(C=C1)N(C2=CC=C(C=C2)Br)C(=O)C[N+](=O)[O-]	C1=CC=C(C=C1)N(C2=CC=C(C=C2)Br)C(=O)C[N+](=O)[O-]	SKMOXJRTHRMVIV-UHFFFAOYSA-N	N-(4-bromophenyl)-2-nitro-N-phenylacetamide
LDCM0530	Nucleophilic fragment 28a	.	.	332.447	C22H24N2O	44.1	332.1888634	4.73478	25	0	2	5	InChI=1S/C22H24N2O/c23-16-15-22(25)24(20-9-5-2-6-10-20)21-13-11-19(12-14-21)17-18-7-3-1-4-8-18/h1-10,19,21H,11-15,17H2	N#CCC(=O)N(c1ccccc1)C1CCC(Cc2ccccc2)CC1	N#CCC(=O)N(c1ccccc1)C1CCC(Cc2ccccc2)CC1	BALAQGYYMMELAE-UHFFFAOYSA-N	.
LDCM0531	Nucleophilic fragment 28b	168268665	N-(1-benzylpiperidin-4-yl)-2-nitro-N-phenylacetamide	353.4	C20H23N3O3	69.4	459	3.1	26	0	4	5	InChI=1S/C20H23N3O3/c24-20(16-22(25)26)23(18-9-5-2-6-10-18)19-11-13-21(14-12-19)15-17-7-3-1-4-8-17/h1-10,19H,11-16H2	C1CN(CCC1N(C2=CC=CC=C2)C(=O)C[N+](=O)[O-])CC3=CC=CC=C3	C1CN(CCC1N(C2=CC=CC=C2)C(=O)C[N+](=O)[O-])CC3=CC=CC=C3	RGBMBTHXCQAEEZ-UHFFFAOYSA-N	N-(1-benzylpiperidin-4-yl)-2-nitro-N-phenylacetamide
LDCM0532	Nucleophilic fragment 29a	168268666	N-((3s,5s,7s)-adamantan-1-yl)-2-cyano-N-(4-fluorobenzyl)acetamide	326.4	C20H23FN2O	44.1	502	3.9	24	0	3	4	InChI=1S/C20H23FN2O/c21-18-3-1-14(2-4-18)13-23(19(24)5-6-22)20-10-15-7-16(11-20)9-17(8-15)12-20/h1-4,15-17H,5,7-13H2	C1C2CC3CC1CC(C2)(C3)N(CC4=CC=C(C=C4)F)C(=O)CC#N	C1C2CC3CC1CC(C2)(C3)N(CC4=CC=C(C=C4)F)C(=O)CC#N	PPUQQEJWPQARJM-UHFFFAOYSA-N	N-(1-adamantyl)-2-cyano-N-[(4-fluorophenyl)methyl]acetamide
LDCM0533	Nucleophilic fragment 29b	168268667	N-((3s,5s,7s)-adamantan-1-yl)-N-(4-fluorobenzyl)-2-nitroacetamide	346.4	C19H23FN2O3	66.1	498	4	25	0	4	4	InChI=1S/C19H23FN2O3/c20-17-3-1-13(2-4-17)11-21(18(23)12-22(24)25)19-8-14-5-15(9-19)7-16(6-14)10-19/h1-4,14-16H,5-12H2	C1C2CC3CC1CC(C2)(C3)N(CC4=CC=C(C=C4)F)C(=O)C[N+](=O)[O-]	C1C2CC3CC1CC(C2)(C3)N(CC4=CC=C(C=C4)F)C(=O)C[N+](=O)[O-]	AKKBJJSBLMXNFD-UHFFFAOYSA-N	N-(1-adamantyl)-N-[(4-fluorophenyl)methyl]-2-nitroacetamide
LDCM0534	Nucleophilic fragment 30a	168268668	N-(1-benzoylpiperidin-4-yl)-2-cyano-N-phenylacetamide	347.4	C21H21N3O2	64.4	533	2.9	26	0	3	4	InChI=1S/C21H21N3O2/c22-14-11-20(25)24(18-9-5-2-6-10-18)19-12-15-23(16-13-19)21(26)17-7-3-1-4-8-17/h1-10,19H,11-13,15-16H2	C1CN(CCC1N(C2=CC=CC=C2)C(=O)CC#N)C(=O)C3=CC=CC=C3	C1CN(CCC1N(C2=CC=CC=C2)C(=O)CC#N)C(=O)C3=CC=CC=C3	PZRWIKTXMPPDKH-UHFFFAOYSA-N	N-(1-benzoylpiperidin-4-yl)-2-cyano-N-phenylacetamide
LDCM0535	Nucleophilic fragment 30b	168268669	N-(1-benzoylpiperidin-4-yl)-2-nitro-N-phenylacetamide	367.4	C20H21N3O4	86.4	528	3	27	0	4	4	InChI=1S/C20H21N3O4/c24-19(15-22(26)27)23(17-9-5-2-6-10-17)18-11-13-21(14-12-18)20(25)16-7-3-1-4-8-16/h1-10,18H,11-15H2	C1CN(CCC1N(C2=CC=CC=C2)C(=O)C[N+](=O)[O-])C(=O)C3=CC=CC=C3	C1CN(CCC1N(C2=CC=CC=C2)C(=O)C[N+](=O)[O-])C(=O)C3=CC=CC=C3	PKGQCSGLEDHCMF-UHFFFAOYSA-N	N-(1-benzoylpiperidin-4-yl)-2-nitro-N-phenylacetamide
LDCM0536	Nucleophilic fragment 31	39733771	2-(piperidine-1-sulfonyl)acetonitrile; 926253-31-8; 2-piperidin-1-ylsulfonylacetonitrile; SCHEMBL4071033; CHEMBL4525258; BMB25331; AKOS009116455; 2-(piperidin-1-ylsulfonyl)acetonitrile; CS-0233418; EN300-133389; Z235538208	188.25	C7H12N2O2S	69.6	276	0.1	12	0	4	2	InChI=1S/C7H12N2O2S/c8-4-7-12(10,11)9-5-2-1-3-6-9/h1-3,5-7H2	C1CCN(CC1)S(=O)(=O)CC#N	C1CCN(CC1)S(=O)(=O)CC#N	KEGXIDKBFLBUHX-UHFFFAOYSA-N	2-piperidin-1-ylsulfonylacetonitrile
LDCM0537	2-Cyano-N,N-dimethylacetamide	251143	2-Cyano-N,N-dimethylacetamide; 7391-40-4; N,N-DIMETHYLCYANOACETAMIDE; Acetamide, 2-cyano-N,N-dimethyl-; N,N-Dimethyl-2-cyanoacetamide; N,N-dimethyl cyanoacetamide; MFCD00051623; N,N-Dimethylcyanoacetate; NSC71378; n,n-dimethylcyanoacetamid; NCIOpen2_000452; SCHEMBL333490; 2-cyano-N,N-dimethyl-acetamide; 2-cyano-N,N-dimethyl-ethanamide; DTXSID90290832; cyanoacetic acid N,N-dimethylamide; ALBB-014327; AMY38498; STR08459; NSC-71378; AKOS000159246; CS-W013659; SY057035; 2-Cyano-N,N-dimethylacetamide, AldrichCPR; C1793; A837962	112.13	C5H8N2O	44.1	131	-0.4	8	0	2	1	InChI=1S/C5H8N2O/c1-7(2)5(8)3-4-6/h3H2,1-2H3	CN(C)C(=O)CC#N	CN(C)C(=O)CC#N	MATJPVGBSAQWAC-UHFFFAOYSA-N	2-cyano-N,N-dimethylacetamide
LDCM0538	4-(Cyanoacetyl)morpholine	229279	15029-32-0; 3-morpholino-3-oxopropanenitrile; N-Cyanoacetylmorpholine; 4-(Cyanoacetyl)morpholine; 4-cyanoacetylmorpholine; 3-(morpholin-4-yl)-3-oxopropanenitrile; Morpholine, 4-(cyanoacetyl)-; 3-morpholin-4-yl-3-oxopropanenitrile; Cyanoacetmorpholide; 1-(Cyanoacetyl)morpholine; 3-(4-Morpholinyl)-3-oxopropanenitrile; Acetonitrile, (morpholinocarbonyl)-; 4-Morpholinepropanenitrile, beta-oxo-; (Morpholinocarbonyl)acetonitrile; MFCD00023353; ACETONITRILE, MORPHOLINOCARBONYL-; 4-Morpholinepropanenitrile, .beta.-oxo-; NSC22791; 3-morpholin-4-yl-3-oxo-propionitrile; Maybridge1_003148; N-cyano acetyl morpholine; N-(2-Cyanoacetyl)morpholine; Oprea1_405871; Oprea1_874586; WLN: T6N DOTJ AV1CN; SCHEMBL1552203; 3-morpholino-3-oxopropanonitrile; HMS550H02; DTXSID70864550; 3-morpholino-3-oxo-propanenitrile; 4-Morpholinepropanenitrile,b-oxo-; ALBB-005847; NSC-22791; STK279240; AKOS000209749; 2-MORPHOLINO-2-OXOETHYL CYANIDE; SY007286; CS-0196811; NS00051840; EN300-16941; 5N-820; C11334; 3-morpholin-4-yl-3-oxidanylidene-propanenitrile; A809029; J-512941; Z56828471	154.17	C7H10N2O2	53.3	188	-0.8	11	0	3	1	InChI=1S/C7H10N2O2/c8-2-1-7(10)9-3-5-11-6-4-9/h1,3-6H2	C1COCCN1C(=O)CC#N	C1COCCN1C(=O)CC#N	AUZPMUJGZZSMCP-UHFFFAOYSA-N	3-morpholin-4-yl-3-oxopropanenitrile
LDCM0539	3-(4-Isopropylpiperazin-1-yl)-3-oxopropanenitrile	43585403	SCHEMBL13741621; 3-(4-isopropylpiperazin-1-yl)-3-oxopropanenitrile	195.26	C10H17N3O	47.3	245	0.2	14	0	3	2	InChI=1S/C10H17N3O/c1-9(2)12-5-7-13(8-6-12)10(14)3-4-11/h9H,3,5-8H2,1-2H3	CC(C)N1CCN(CC1)C(=O)CC#N	CC(C)N1CCN(CC1)C(=O)CC#N	FWGHZYZWVWYEDI-UHFFFAOYSA-N	3-oxo-3-(4-propan-2-ylpiperazin-1-yl)propanenitrile
LDCM0540	Nucleophilic fragment 35	168268670	N-(3-(tert-butyl)isoxazol-5-yl)-2-cyanoacetamide	207.23	C10H13N3O2	78.9	287	2	15	1	4	3	InChI=1S/C10H13N3O2/c1-10(2,3)7-6-9(15-13-7)12-8(14)4-5-11/h6H,4H2,1-3H3,(H,12,14)	CC(C)(C)C1=NOC(=C1)NC(=O)CC#N	CC(C)(C)C1=NOC(=C1)NC(=O)CC#N	IQFUFCGUMXOFLG-UHFFFAOYSA-N	N-(3-tert-butyl-1,2-oxazol-5-yl)-2-cyanoacetamide
LDCM0541	Nucleophilic fragment 36	168268671	2-cyano-N-(2-(diethylamino)-5-sulfamoylphenyl)acetamide	310.37	C13H18N4O3S	125	501	1	21	2	6	6	InChI=1S/C13H18N4O3S/c1-3-17(4-2)12-6-5-10(21(15,19)20)9-11(12)16-13(18)7-8-14/h5-6,9H,3-4,7H2,1-2H3,(H,16,18)(H2,15,19,20)	CCN(CC)C1=C(C=C(C=C1)S(=O)(=O)N)NC(=O)CC#N	CCN(CC)C1=C(C=C(C=C1)S(=O)(=O)N)NC(=O)CC#N	OXKJIDSUNUDJPI-UHFFFAOYSA-N	2-cyano-N-[2-(diethylamino)-5-sulfamoylphenyl]acetamide
LDCM0542	Nucleophilic fragment 37	4789473	HMS1719C04; 2-cyano-N-(quinolin-5-yl)acetamide; AKOS000202508; Z89283369	211.22	C12H9N3O	65.8	307	2.2	16	1	3	2	InChI=1S/C12H9N3O/c13-7-6-12(16)15-11-5-1-4-10-9(11)3-2-8-14-10/h1-5,8H,6H2,(H,15,16)	C1=CC2=C(C=CC=N2)C(=C1)NC(=O)CC#N	C1=CC2=C(C=CC=N2)C(=C1)NC(=O)CC#N	MGRAYVOAHKUDQF-UHFFFAOYSA-N	2-cyano-N-quinolin-5-ylacetamide
LDCM0543	Nucleophilic fragment 38	168268672	N-(3,5-bis(trifluoromethyl)phenyl)-2-cyano-N-(pyridin-3-ylmethyl)acetamide	387.28	C17H11F6N3O	57	545	3.4	27	0	9	4	InChI=1S/C17H11F6N3O/c18-16(19,20)12-6-13(17(21,22)23)8-14(7-12)26(15(27)3-4-24)10-11-2-1-5-25-9-11/h1-2,5-9H,3,10H2	C1=CC(=CN=C1)CN(C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C(=O)CC#N	C1=CC(=CN=C1)CN(C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C(=O)CC#N	VCOSAURLPACJNT-UHFFFAOYSA-N	N-[3,5-bis(trifluoromethyl)phenyl]-2-cyano-N-(pyridin-3-ylmethyl)acetamide
LDCM0544	Nucleophilic fragment 39	168268673	2-cyano-N-(4-phenoxy-3-(trifluoromethyl)phenyl)-N-(pyridin-3-ylmethyl)acetamide	411.4	C22H16F3N3O2	66.2	613	4	30	0	7	6	InChI=1S/C22H16F3N3O2/c23-22(24,25)19-13-17(8-9-20(19)30-18-6-2-1-3-7-18)28(21(29)10-11-26)15-16-5-4-12-27-14-16/h1-9,12-14H,10,15H2	C1=CC=C(C=C1)OC2=C(C=C(C=C2)N(CC3=CN=CC=C3)C(=O)CC#N)C(F)(F)F	C1=CC=C(C=C1)OC2=C(C=C(C=C2)N(CC3=CN=CC=C3)C(=O)CC#N)C(F)(F)F	VKGCEWZNRVFJCM-UHFFFAOYSA-N	2-cyano-N-[4-phenoxy-3-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide
LDCM0545	Acetamide	2803751	Acetamide, N-[3,5-bis(trifluoromethyl)phenyl]-2-cyano-; 63035-03-0; N-[3,5-bis(trifluoromethyl)phenyl]-2-cyanoacetamide; N1-[3,5-di(trifluoromethyl)phenyl]-2-cyanoacetamide; N-(3,5-Bis(trifluoromethyl)phenyl)-2-cyanoacetamide; Maybridge3_001032; DTXSID50384408; IVBUPIBQZGSJJM-UHFFFAOYSA-N; HMS1433O20; IDI1_012419	296.17	C11H6F6N2O	52.9	385	4.2	20	1	8	2	InChI=1S/C11H6F6N2O/c12-10(13,14)6-3-7(11(15,16)17)5-8(4-6)19-9(20)1-2-18/h3-5H,1H2,(H,19,20)	C1=C(C=C(C=C1C(F)(F)F)NC(=O)CC#N)C(F)(F)F	C1=C(C=C(C=C1C(F)(F)F)NC(=O)CC#N)C(F)(F)F	IVBUPIBQZGSJJM-UHFFFAOYSA-N	N-[3,5-bis(trifluoromethyl)phenyl]-2-cyanoacetamide
LDCM0546	Nucleophilic fragment 40	168268674	3-(2-cyanoacetamido)-5-(trifluoromethyl)benzoic acid	272.18	C11H7F3N2O3	90.2	413	1.9	19	2	7	3	InChI=1S/C11H7F3N2O3/c12-11(13,14)7-3-6(10(18)19)4-8(5-7)16-9(17)1-2-15/h3-5H,1H2,(H,16,17)(H,18,19)	C1=C(C=C(C=C1C(F)(F)F)NC(=O)CC#N)C(=O)O	C1=C(C=C(C=C1C(F)(F)F)NC(=O)CC#N)C(=O)O	AMFADPLZWZDCLJ-UHFFFAOYSA-N	3-[(2-cyanoacetyl)amino]-5-(trifluoromethyl)benzoic acid
LDCM0547	Nucleophilic fragment 41	61846962	AKOS011120419; 2-cyano-N-(3,5-dimethoxyphenyl)propanamide	234.25	C12H14N2O3	71.4	298	2.1	17	1	4	4	InChI=1S/C12H14N2O3/c1-8(7-13)12(15)14-9-4-10(16-2)6-11(5-9)17-3/h4-6,8H,1-3H3,(H,14,15)	CC(C#N)C(=O)NC1=CC(=CC(=C1)OC)OC	CC(C#N)C(=O)NC1=CC(=CC(=C1)OC)OC	BGTTUEDSBKEFMC-UHFFFAOYSA-N	2-cyano-N-(3,5-dimethoxyphenyl)propanamide
LDCM0548	1-(4-(Benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-2-nitroethan-1-one	108814535	1-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-2-nitroethan-1-one	307.3	C14H17N3O5	87.8	419	0.8	22	0	6	3	InChI=1S/C14H17N3O5/c18-14(9-17(19)20)16-5-3-15(4-6-16)8-11-1-2-12-13(7-11)22-10-21-12/h1-2,7H,3-6,8-10H2	C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C[N+](=O)[O-]	C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C[N+](=O)[O-]	SWMIOWAIBUFXKC-UHFFFAOYSA-N	1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-nitroethanone
LDCM0549	Nucleophilic fragment 43	168268641	tert-butyl 4-(2-nitro-N-phenylacetamido)piperidine-1-carboxylate	363.4	C18H25N3O5	95.7	512	2.7	26	0	5	5	InChI=1S/C18H25N3O5/c1-18(2,3)26-17(23)19-11-9-15(10-12-19)21(16(22)13-20(24)25)14-7-5-4-6-8-14/h4-8,15H,9-13H2,1-3H3	CC(C)(C)OC(=O)N1CCC(CC1)N(C2=CC=CC=C2)C(=O)C[N+](=O)[O-]	CC(C)(C)OC(=O)N1CCC(CC1)N(C2=CC=CC=C2)C(=O)C[N+](=O)[O-]	ZUJNNCKNYSXNQV-UHFFFAOYSA-N	tert-butyl 4-(N-(2-nitroacetyl)anilino)piperidine-1-carboxylate
LDCM0550	Nucleophilic fragment 5a	66475455	AKOS015820953; 2-cyano-N-(2-methyl-5-(trifluoromethyl)phenyl)acetamide	242.2	C11H9F3N2O	52.9	331	2.4	17	1	5	2	InChI=1S/C11H9F3N2O/c1-7-2-3-8(11(12,13)14)6-9(7)16-10(17)4-5-15/h2-3,6H,4H2,1H3,(H,16,17)	CC1=C(C=C(C=C1)C(F)(F)F)NC(=O)CC#N	CC1=C(C=C(C=C1)C(F)(F)F)NC(=O)CC#N	GAQATAWGLFDVSA-UHFFFAOYSA-N	2-cyano-N-[2-methyl-5-(trifluoromethyl)phenyl]acetamide
LDCM0551	Nucleophilic fragment 5b	168268642	N-(2-methyl-5-(trifluoromethyl)phenyl)-2-nitroacetamide	262.18	C10H9F3N2O3	74.9	327	2.5	18	1	6	2	InChI=1S/C10H9F3N2O3/c1-6-2-3-7(10(11,12)13)4-8(6)14-9(16)5-15(17)18/h2-4H,5H2,1H3,(H,14,16)	CC1=C(C=C(C=C1)C(F)(F)F)NC(=O)C[N+](=O)[O-]	CC1=C(C=C(C=C1)C(F)(F)F)NC(=O)C[N+](=O)[O-]	BYUSZQLRRSSBKE-UHFFFAOYSA-N	N-[2-methyl-5-(trifluoromethyl)phenyl]-2-nitroacetamide
LDCM0552	Nucleophilic fragment 6a	4890644	STK581248; AKOS000191087; 3-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopropanenitrile	260.29	C14H16N2O3	62.6	376	1.1	19	0	4	3	InChI=1S/C14H16N2O3/c1-18-12-7-10-4-6-16(14(17)3-5-15)9-11(10)8-13(12)19-2/h7-8H,3-4,6,9H2,1-2H3	COC1=C(C=C2CN(CCC2=C1)C(=O)CC#N)OC	COC1=C(C=C2CN(CCC2=C1)C(=O)CC#N)OC	ULPHKIOVWKTWFC-UHFFFAOYSA-N	3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropanenitrile
LDCM0553	Nucleophilic fragment 6b	168268644	1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-2-nitroethan-1-one	280.28	C13H16N2O5	84.6	370	1.2	20	0	5	3	InChI=1S/C13H16N2O5/c1-19-11-5-9-3-4-14(13(16)8-15(17)18)7-10(9)6-12(11)20-2/h5-6H,3-4,7-8H2,1-2H3	COC1=C(C=C2CN(CCC2=C1)C(=O)C[N+](=O)[O-])OC	COC1=C(C=C2CN(CCC2=C1)C(=O)C[N+](=O)[O-])OC	WCRMWKKLHLVGBI-UHFFFAOYSA-N	1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-nitroethanone
LDCM0554	Nucleophilic fragment 7a	61882230	AKOS011155887; 2-cyano-N-(2-(isopentyloxy)ethyl)acetamide	198.26	C10H18N2O2	62.1	205	1	14	1	3	7	InChI=1S/C10H18N2O2/c1-9(2)4-7-14-8-6-12-10(13)3-5-11/h9H,3-4,6-8H2,1-2H3,(H,12,13)	CC(C)CCOCCNC(=O)CC#N	CC(C)CCOCCNC(=O)CC#N	XLNKKQJIZPBVIA-UHFFFAOYSA-N	2-cyano-N-[2-(3-methylbutoxy)ethyl]acetamide
LDCM0555	Nucleophilic fragment 7b	168268645	N-(2-(isopentyloxy)ethyl)-2-nitroacetamide	218.25	C9H18N2O4	84.2	201	1.1	15	1	4	7	InChI=1S/C9H18N2O4/c1-8(2)3-5-15-6-4-10-9(12)7-11(13)14/h8H,3-7H2,1-2H3,(H,10,12)	CC(C)CCOCCNC(=O)C[N+](=O)[O-]	CC(C)CCOCCNC(=O)C[N+](=O)[O-]	QOTZXMFVVJWLIW-UHFFFAOYSA-N	N-[2-(3-methylbutoxy)ethyl]-2-nitroacetamide
LDCM0556	Nucleophilic fragment 8a	5151551	2-cyano-N-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]acetamide; SCHEMBL1898622; BBL034081; STL377332; AKOS000181053; AKOS037478324; N-(adamantan-1-yl)-2-cyanoethanamide; VS-12415; N-(ADAMANTAN-1-YL)-2-CYANOACETAMIDE; N-((3s,5s,7s)-adamantan-1-yl)-2-cyanoacetamide	218.29	C13H18N2O	52.9	324	2.7	16	1	2	2	InChI=1S/C13H18N2O/c14-2-1-12(16)15-13-6-9-3-10(7-13)5-11(4-9)8-13/h9-11H,1,3-8H2,(H,15,16)	C1C2CC3CC1CC(C2)(C3)NC(=O)CC#N	C1C2CC3CC1CC(C2)(C3)NC(=O)CC#N	IICCUEKXZRJMDI-UHFFFAOYSA-N	N-(1-adamantyl)-2-cyanoacetamide
LDCM0557	Nucleophilic fragment 8b	108814488	N-((3s,5s,7s)-adamantan-1-yl)-2-nitroacetamide	238.28	C12H18N2O3	74.9	320	2.8	17	1	3	2	InChI=1S/C12H18N2O3/c15-11(7-14(16)17)13-12-4-8-1-9(5-12)3-10(2-8)6-12/h8-10H,1-7H2,(H,13,15)	C1C2CC3CC1CC(C2)(C3)NC(=O)C[N+](=O)[O-]	C1C2CC3CC1CC(C2)(C3)NC(=O)C[N+](=O)[O-]	HXPWFSGCDRNCEO-UHFFFAOYSA-N	N-(1-adamantyl)-2-nitroacetamide
LDCM0558	2-Cyano-N-phenylacetamide	69296	2-Cyano-N-phenylacetamide; 2-Cyanoacetanilide; 621-03-4; Acetamide, 2-cyano-N-phenyl-; N-Phenylcyanoacetamide; alpha-Cyanoacetanilide; 2-cyano-N-phenyl-acetamide; Acetanilide, 2-cyano-; cyanoacetanilide; Cyanoacetic acid anilide; MFCD00019840; NSC-6313; 2-Cycno-N-phenylacetamide; NSC6313; NSC 6313; 2-cyano-acetanilide; EINECS 210-666-6; N-phenyl cyanoacetamide; .alpha.-Cyanoacetanilide; Maybridge1_001575; 7EXD3TBU3Z; phenylcarbamoyl-acetonitrile; SCHEMBL1260216; CHEMBL3334609; DTXSID0060727; HMS545P13; ALBB-030303; CCG-52742; STK398313; AKOS000313651; SB75769; PD138944; SY043058; DB-054063; C2894; CS-0150044; NS00034916; EN300-01325; 9B-046; SR-01000641954-1; Z56813510	160.17	C9H8N2O	52.9	198	1.6	12	1	2	2	InChI=1S/C9H8N2O/c10-7-6-9(12)11-8-4-2-1-3-5-8/h1-5H,6H2,(H,11,12)	C1=CC=C(C=C1)NC(=O)CC#N	C1=CC=C(C=C1)NC(=O)CC#N	XCTQPMCULSZKLT-UHFFFAOYSA-N	2-cyano-N-phenylacetamide
LDCM0559	Nucleophilic fragment 9b	14364367	2-Nitro-N-phenylacetamide; 10151-95-8; nitroacetanilide; SCHEMBL733776; DTXSID80559405; DB-021432	180.16	C8H8N2O3	74.9	194	1.7	13	1	3	2	InChI=1S/C8H8N2O3/c11-8(6-10(12)13)9-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,11)	C1=CC=C(C=C1)NC(=O)C[N+](=O)[O-]	C1=CC=C(C=C1)NC(=O)C[N+](=O)[O-]	JFPJVTNYCURRAB-UHFFFAOYSA-N	2-nitro-N-phenylacetamide
LDCM0561	Abegg_cp(-)-10	138964886	.	344.4	C20H24O5	94.8	792	2.1	25	3	5	2	InChI=1S/C20H24O5/c1-4-17(2)7-8-20(25)12(10-17)13(21)14(22)15-18(3,16(23)24)6-5-11-9-19(11,15)20/h4,10-11,22,25H,1,5-9H2,2-3H3,(H,23,24)/t11-,17-,18-,19-,20+/m0/s1	C[C@@]1(CC[C@]2(C(=C1)C(=O)C(=C3[C@@]24C[C@@H]4CC[C@]3(C)C(=O)O)O)O)C=C	CC1(CCC2(C(=C1)C(=O)C(=C3C24CC4CCC3(C)C(=O)O)O)O)C=C	PTUXWFGKOJMZET-ZWIBCXMYSA-N	(1S,2S,5R,11S,14S)-5-ethenyl-2,9-dihydroxy-5,11-dimethyl-8-oxotetracyclo[8.5.0.01,14.02,7]pentadeca-6,9-diene-11-carboxylic acid
LDCM0562	Abegg_cp(-)-11	168331567	.	332.4	C19H24O5	94.8	745	1.9	24	3	5	1	InChI=1S/C19H24O5/c1-16(2)6-7-19(24)11(9-16)12(20)13(21)14-17(3,15(22)23)5-4-10-8-18(10,14)19/h9-10,21,24H,4-8H2,1-3H3,(H,22,23)/t10-,17-,18-,19+/m0/s1	C[C@@]1(CC[C@H]2C[C@@]23C1=C(C(=O)C4=CC(CC[C@]34O)(C)C)O)C(=O)O	CC1(CCC2(C(=C1)C(=O)C(=C3C24CC4CCC3(C)C(=O)O)O)O)C	ZNKDJXXXBLHJPB-ZVQMSZKPSA-N	(1S,2S,11S,14S)-2,9-dihydroxy-5,5,11-trimethyl-8-oxotetracyclo[8.5.0.01,14.02,7]pentadeca-6,9-diene-11-carboxylic acid
LDCM0563	Abegg_cp(+)-11	.	.	332.396	C19H24O5	94.83	332.1623739	2.7497	24	3	4	1	InChI=1S/C19H24O5/c1-16(2)6-7-19(24)11(9-16)12(20)13(21)14-17(3,15(22)23)5-4-10-8-18(10,14)19/h9-10,21,24H,4-8H2,1-3H3,(H,22,23)/t10-,17-,18-,19+/m1/s1	CC1(C)C=C2C(=O)C(O)=C3[C@](C)(C(=O)O)CC[C@@H]4C[C@]34[C@]2(O)CC1	CC1(C)C=C2C(=O)C(O)=C3C(C)(C(=O)O)CCC4CC34C2(O)CC1	ZNKDJXXXBLHJPB-FLXVQEJRSA-N	.
LDCM0566	Fragment4	3851307	SCHEMBL22196881; STK524958; AKOS005458608; 2-chloro-1-[5-(4-methoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone; 4-[1-(chloroacetyl)-3-(2-thienyl)-4,5-dihydro-1H-pyrazol-5-yl]phenyl methyl ether	334.8	C16H15ClN2O2S	70.1	438	3.3	22	0	4	4	InChI=1S/C16H15ClN2O2S/c1-21-12-6-4-11(5-7-12)14-9-13(15-3-2-8-22-15)18-19(14)16(20)10-17/h2-8,14H,9-10H2,1H3	COC1=CC=C(C=C1)C2CC(=NN2C(=O)CCl)C3=CC=CS3	COC1=CC=C(C=C1)C2CC(=NN2C(=O)CCl)C3=CC=CS3	OJQCBOLVUZALMV-UHFFFAOYSA-N	2-chloro-1-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
LDCM0568	Fragment6	29983966	894351-84-9; (1E)-N-METHYL-2-[1-(PHENYLMETHYL)-1H-INDOL-5-YL]ETHENESULFONAMIDE; (E)-2-(1-Benzyl-1H-indol-5-yl)-N-methylethenesulfonamide; SCHEMBL14207389; Ethenesulfonamide,N-methyl-2-[1-(phenylmethyl)-1H-indol-5-yl]-, (1E)-; DB-257411; (E)-2-(1-benzylindol-5-yl)-N-methylethenesulfonamide	326.4	C18H18N2O2S	59.5	506	3	23	1	3	5	InChI=1S/C18H18N2O2S/c1-19-23(21,22)12-10-15-7-8-18-17(13-15)9-11-20(18)14-16-5-3-2-4-6-16/h2-13,19H,14H2,1H3/b12-10+	CNS(=O)(=O)/C=C/C1=CC2=C(C=C1)N(C=C2)CC3=CC=CC=C3	CNS(=O)(=O)C=CC1=CC2=C(C=C1)N(C=C2)CC3=CC=CC=C3	CGQXKKYAWNNJJX-ZRDIBKRKSA-N	(E)-2-(1-benzylindol-5-yl)-N-methylethenesulfonamide
LDCM0569	Fragment7	129051185	SCHEMBL18763050; PD128009	356.8	C20H21ClN2O2	40.6	451	3.6	25	0	2	4	InChI=1S/C20H21ClN2O2/c21-15-19(24)23(17-9-5-2-6-10-17)18-11-13-22(14-12-18)20(25)16-7-3-1-4-8-16/h1-10,18H,11-15H2	C1CN(CCC1N(C2=CC=CC=C2)C(=O)CCl)C(=O)C3=CC=CC=C3	C1CN(CCC1N(C2=CC=CC=C2)C(=O)CCl)C(=O)C3=CC=CC=C3	YGURPIQSTIMWPG-UHFFFAOYSA-N	N-(1-benzoylpiperidin-4-yl)-2-chloro-N-phenylacetamide
LDCM0570	Fragment8	.	.	397.882	C22H22ClN2O3	51.66	397.1318952	3.86229	28	0	4	3	InChI=1S/C13H16ClNO3.C9H6N/c1-17-11-5-9-3-4-15(13(16)7-14)8-10(9)6-12(11)18-2;1-2-6-9-8(4-1)5-3-7-10-9/h5-6H,3-4,7-8H2,1-2H3;1-6H	COc1cc2c(cc1OC)CN(C(=O)CCl)CC2.[c]1ccc2ccccc2n1	COc1cc2c(cc1OC)CN(C(=O)CCl)CC2.[c]1ccc2ccccc2n1	KFCPIQXZMOZEDT-UHFFFAOYSA-N	.
LDCM0571	Fragment9	1129608	1-(4-Benzyl-piperidin-1-yl)-2-chloro-ethanone; 158890-32-5; 1-(4-benzylpiperidin-1-yl)-2-chloroethanone; 1-(4-benzylpiperidin-1-yl)-2-chloroethan-1-one; SCHEMBL2243090; CHEMBL4761975; NESGURPSHDOKFU-UHFFFAOYSA-N; 4-benzyl-1-(chloroacetyl)piperidine; STK988415; AKOS000301162; PS-0356; (4-benzylpiperidino)carbonylmethylchloride; DA-09773; PD168614; UPCMLD0ENAT0515-0070:001; EN300-01621; 2-chloro-1-(4-benzyl-piperidin-1-yl)-ethanone; A1-58499; Z56896172; F2190-0192	251.75	C14H18ClNO	20.3	243	3	17	0	1	3	InChI=1S/C14H18ClNO/c15-11-14(17)16-8-6-13(7-9-16)10-12-4-2-1-3-5-12/h1-5,13H,6-11H2	C1CN(CCC1CC2=CC=CC=C2)C(=O)CCl	C1CN(CCC1CC2=CC=CC=C2)C(=O)CCl	NESGURPSHDOKFU-UHFFFAOYSA-N	1-(4-benzylpiperidin-1-yl)-2-chloroethanone
LDCM0572	Fragment10	16226864	1-(chloroacetyl)-4-[(2-fluorophenyl)sulfonyl]piperazine; 923204-90-4; 2-chloro-1-[4-(2-fluorobenzenesulfonyl)piperazin-1-yl]ethan-1-one; 2-chloro-1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]ethanone; SCHEMBL22196896; AKOS001283845; UPCMLD0ENAT5621425:001; PD194684; CS-0240148; EN300-22584; G18941; Z147647392; 2-chloro-1-(4-(2-fluorophenylsulfonyl)piperazin-1-yl)ethanone; 2-chloro-1-{4-[(2-fluorobenzene)sulfonyl]piperazin-1-ylethan-1-one; 2-CHLORO-1-[4-(2-FLUOROBENZENESULFONYL)PIPERAZIN-1-YL]ETHANONE; 2-chloro-1-{4-[(2-fluorobenzene)sulfonyl]piperazin-1-yl}ethan-1-one	320.77	C12H14ClFN2O3S	66.1	446	1.1	20	0	5	3	InChI=1S/C12H14ClFN2O3S/c13-9-12(17)15-5-7-16(8-6-15)20(18,19)11-4-2-1-3-10(11)14/h1-4H,5-9H2	C1CN(CCN1C(=O)CCl)S(=O)(=O)C2=CC=CC=C2F	C1CN(CCN1C(=O)CCl)S(=O)(=O)C2=CC=CC=C2F	GRQUYYHAXFLTMJ-UHFFFAOYSA-N	2-chloro-1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
LDCM0573	Fragment11	28818988	1000932-87-5; N-(2-chloroacetyl)-1-methyl-4-(morpholine-4-sulfonyl)-1H-pyrrole-2-carboxamide; N-(chloroacetyl)-1-methyl-4-(morpholin-4-ylsulfonyl)-1H-pyrrole-2-carboxamide; N-(2-chloroacetyl)-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide; SCHEMBL19888976; AKOS030743677; CS-0245630; EN300-30762; G39105; Z316187692; 2-chloro-N-{[1-methyl-4-(morpholine-4-sulfonyl)-1H-pyrrol-2-yl]carbonylacetamide	349.79	C12H16ClN3O5S	106	529	-0.5	22	1	6	4	InChI=1S/C12H16ClN3O5S/c1-15-8-9(6-10(15)12(18)14-11(17)7-13)22(19,20)16-2-4-21-5-3-16/h6,8H,2-5,7H2,1H3,(H,14,17,18)	CN1C=C(C=C1C(=O)NC(=O)CCl)S(=O)(=O)N2CCOCC2	CN1C=C(C=C1C(=O)NC(=O)CCl)S(=O)(=O)N2CCOCC2	NPNTTXBIIUFHFT-UHFFFAOYSA-N	N-(2-chloroacetyl)-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
LDCM0574	Fragment12	2378425	1-(adamantan-1-yl)-3-(2-chloroacetyl)urea; 725711-03-5; N-(1-adamantylcarbamoyl)-2-chloroacetamide; N-[(1-adamantylamino)carbonyl]-2-chloroacetamide; N-[(1-adamantylamino)-oxomethyl]-2-chloroacetamide; MLS000374912; SMR000254266; CHEMBL1305275; SCHEMBL22196871; BDBM47421; cid_2378425; CHEBI:112955; HMS2555M15; AKOS008966843; CS-0221030; N-(1-adamantylcarbamoyl)-2-chloro-acetamide; EN300-08176; G28831; N-(1-adamantylcarbamoyl)-2-chloranyl-ethanamide; SR-01000038880; SR-01000038880-1; Q27193419; Z56877931	270.75	C13H19ClN2O2	58.2	342	3	18	2	2	2	InChI=1S/C13H19ClN2O2/c14-7-11(17)15-12(18)16-13-4-8-1-9(5-13)3-10(2-8)6-13/h8-10H,1-7H2,(H2,15,16,17,18)	C1C2CC3CC1CC(C2)(C3)NC(=O)NC(=O)CCl	C1C2CC3CC1CC(C2)(C3)NC(=O)NC(=O)CCl	OBLFEICGDWLKQF-UHFFFAOYSA-N	N-(1-adamantylcarbamoyl)-2-chloroacetamide
LDCM0575	Fragment13	582669	52191-26-1; 2-Chloro-N-[2-(1H-indol-3-yl)ethyl]acetamide; 3-(Chloroacetamidoethyl)indole; N-(2-(1H-Indol-3-yl)ethyl)-2-chloroacetamide; 3-(2-(Chloroacetamido)ethyl)indole; MFCD00120131; Tryptamine, N-chloroacetyl-; N-[2-(1H-Indol-3-yl)ethyl]-2-chloroacetamide; Chloracetyl-tryptamin; CBDivE_014270; SCHEMBL5903804; DTXSID10342524; VUOXPQXFKCXXFF-UHFFFAOYSA-N; STL258919; AKOS000104791; MS-11363; SY063482; 2-chloro-n-(2-indol-3-ylethyl)ethanamide; CS-0151371; EN300-14456; D81716; 2-chloro-n-[2-(1h-indol-3-yl)-ethyl]-acetamide; A828961; SR-01000310607; 2-chloranyl-N-[2-(1H-indol-3-yl)ethyl]ethanamide; 2-Chloro-N-[2-(1H-indol-3-yl)ethyl]acetamide #; SR-01000310607-1; Z57396119	236.7	C12H13ClN2O	44.9	247	2.4	16	2	1	4	InChI=1S/C12H13ClN2O/c13-7-12(16)14-6-5-9-8-15-11-4-2-1-3-10(9)11/h1-4,8,15H,5-7H2,(H,14,16)	C1=CC=C2C(=C1)C(=CN2)CCNC(=O)CCl	C1=CC=C2C(=C1)C(=CN2)CCNC(=O)CCl	VUOXPQXFKCXXFF-UHFFFAOYSA-N	2-chloro-N-[2-(1H-indol-3-yl)ethyl]acetamide
LDCM0576	Fragment14	127124980	N-(3,5-bis(trifluoromethyl)phenyl)acrylamide; N-[3,5-bis(trifluoromethyl)phenyl]prop-2-enamide; 586395-04-2; CHEMBL4648216; SCHEMBL18763049; OQVKOZLZNWNAHC-UHFFFAOYSA-N; PD168603; EN300-7466664; A1-58510; Z2830970502	283.17	C11H7F6NO	29.1	326	4.3	19	1	7	2	InChI=1S/C11H7F6NO/c1-2-9(19)18-8-4-6(10(12,13)14)3-7(5-8)11(15,16)17/h2-5H,1H2,(H,18,19)	C=CC(=O)NC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F	C=CC(=O)NC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F	OQVKOZLZNWNAHC-UHFFFAOYSA-N	N-[3,5-bis(trifluoromethyl)phenyl]prop-2-enamide
LDCM0577	Fragment15	129051165	SCHEMBL18763021; HHBWURMYTDWQKL-UHFFFAOYSA-N; N-[4-phenoxy-3-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)prop-2-enamide	398.4	C22H17F3N2O2	42.4	549	4.7	29	0	6	6	InChI=1S/C22H17F3N2O2/c1-2-21(28)27(15-16-7-6-12-26-14-16)17-10-11-20(19(13-17)22(23,24)25)29-18-8-4-3-5-9-18/h2-14H,1,15H2	C=CC(=O)N(CC1=CN=CC=C1)C2=CC(=C(C=C2)OC3=CC=CC=C3)C(F)(F)F	C=CC(=O)N(CC1=CN=CC=C1)C2=CC(=C(C=C2)OC3=CC=CC=C3)C(F)(F)F	HHBWURMYTDWQKL-UHFFFAOYSA-N	N-[4-phenoxy-3-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)prop-2-enamide
LDCM0578	Fragment27	45791925	2-chloro-N-[2-(3-methylbutoxy)ethyl]acetamide; 1193389-69-3; SCHEMBL22196882; AKOS010256866; CS-0250678; EN300-51835; G24970; Z730584890	207.7	C9H18ClNO2	38.3	140	1.7	13	1	2	7	InChI=1S/C9H18ClNO2/c1-8(2)3-5-13-6-4-11-9(12)7-10/h8H,3-7H2,1-2H3,(H,11,12)	CC(C)CCOCCNC(=O)CCl	CC(C)CCOCCNC(=O)CCl	YRVLRCSNGCAXSF-UHFFFAOYSA-N	2-chloro-N-[2-(3-methylbutoxy)ethyl]acetamide
LDCM0579	Fragment20	17339307	SCHEMBL18763047	343.8	C20H22ClNO2	40.5	390	3.4	24	1	2	4	InChI=1S/C20H22ClNO2/c21-15-19(23)22-13-11-18(12-14-22)20(24,16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,18,24H,11-15H2	C1CN(CCC1C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C(=O)CCl	C1CN(CCC1C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C(=O)CCl	AKSVCARXZKHCSI-UHFFFAOYSA-N	2-chloro-1-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]ethanone
LDCM0580	Fragment21	64161	5689-59-8; N-Adamantan-1-yl-2-chloro-acetamide; N-(1-Adamantyl)-2-chloroacetamide; N-(adamantan-1-yl)-2-chloroacetamide; N-1-adamantyl-2-chloroacetamide; 1-Chloroacetylaminoadamantane; Acetamide, N-(1-adamantyl)-2-chloro-; 64741-22-6; BRN 2939500; 2-chloro-N-(tricyclo[3.3.1.1~3,7~]dec-1-yl)acetamide; N-(1-adamantyl)chloroacetamide; N-Adamantan-1-yl-2-chloroacetamide; N-(chloroacetyl)aminoadamantane; SCHEMBL1718112; SCHEMBL22196886; DTXSID20205414; PJRVXDKETNCCKR-UHFFFAOYSA-N; Acetamide, 2-chloro-N-tricyclo(3.3.1.1(3,7))dec-1-yl-; ALBB-002459; BBL036358; MFCD01733430; STK231310; AKOS000283738; AKOS000415040; AKOS005063304; VS-13434; CS-0116501; EN300-01516; A831224; Z56862400; F0745-0511	227.73	C12H18ClNO	29.1	248	2.8	15	1	1	2	InChI=1S/C12H18ClNO/c13-7-11(15)14-12-4-8-1-9(5-12)3-10(2-8)6-12/h8-10H,1-7H2,(H,14,15)	C1C2CC3CC1CC(C2)(C3)NC(=O)CCl	C1C2CC3CC1CC(C2)(C3)NC(=O)CCl	PJRVXDKETNCCKR-UHFFFAOYSA-N	N-(1-adamantyl)-2-chloroacetamide
LDCM0581	Fragment22	74040	1440-61-5; 4-(2-chloroacetyl)morpholine; 4-(Chloroacetyl)morpholine; Morpholine, 4-(chloroacetyl)-; N-(Chloroacetyl)morpholine; 2-chloro-1-morpholin-4-ylethanone; 2-chloro-1-morpholinoethanone; 2-Chloro-1-(morpholin-4-yl)ethanone; 2-Chloro-1-(Morpholin-4-Yl)Ethan-1-One; Chloroacetic acid morpholide; 2-Chloro-1-morpholin-4-yl-ethanone; n-chloroacetylmorpholine; Ethanone, 2-chloro-1-(4-morpholinyl)-; MFCD00721939; Chloroacetic acid, morpholide; N-chloroacetyl-morpholine; NSC-54542; 2-chloro-1-morpholinoethan-1-one; EINECS 215-880-3; AI3-23546; 2-Chloro-1-(4-morpholinyl)ethanone; chloroacetylmorpholine; 4-chloroacetylmorpholine; chloro acetyl morpholine; Morpholine chloroacetamide; QDM98ZM5WS; N-(chloroacetyl)-morpholine; 4-(chloroacetyl) morpholine; 4-(chloroacetyl)-morpholine; 4-(Chloroacetyl)morpho line; SCHEMBL78389; 4-(2-chloroacetyl) morpholine; 4-(2-chloroacetyl)-morpholine; DTXSID9073258; 2-morpholino-2-oxoethyl chloride; 4-(Chloroacetyl)morpholine, 97%; NSC54542; STR08276; BBL034789; NSC 54542; STL419472; 2-chloro-1-(4-morpholinyl)-ethanone; AKOS000266941; AM86594; CS-W021985; Ethanone,2-chloro-1-(4-morpholinyl)-; SY019836; 1-chloro-2-oxo-2-(morpholin-4-yl)ethane; DB-042719; NS00024677; EN300-01805; O11063; A808168; J-508617; Z56891388; F0176-0215	163.6	C6H10ClNO2	29.5	123	0	10	0	2	1	InChI=1S/C6H10ClNO2/c7-5-6(9)8-1-3-10-4-2-8/h1-5H2	C1COCCN1C(=O)CCl	C1COCCN1C(=O)CCl	YMQRPXBBBOXHNZ-UHFFFAOYSA-N	2-chloro-1-morpholin-4-ylethanone
LDCM0582	Fragment23	129051175	CHEMBL5270221; SCHEMBL18763035; PGZKKYMEBFZCMM-LREOWRDNSA-N; BDBM50607925; (E)-3-[3,5-bis(trifluoromethyl)phenyl]-2-cyanoprop-2-enamide	308.18	C12H6F6N2O	66.9	462	3.3	21	1	8	2	InChI=1S/C12H6F6N2O/c13-11(14,15)8-2-6(1-7(5-19)10(20)21)3-9(4-8)12(16,17)18/h1-4H,(H2,20,21)/b7-1+	C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)/C=C(\C#N)/C(=O)N	C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C=C(C#N)C(=O)N	PGZKKYMEBFZCMM-LREOWRDNSA-N	(E)-3-[3,5-bis(trifluoromethyl)phenyl]-2-cyanoprop-2-enamide
LDCM0583	Fragment24	2779930	N-[3,5-bis(trifluoromethyl)phenyl]-2-bromopropanamide; 646497-42-9; N1-[3,5-di(trifluoromethyl)phenyl]-2-bromopropanamide; CHEMBL5266284; SCHEMBL18763026; DTXSID80381602; PCESRJVCFUAIBU-UHFFFAOYSA-N; MFCD00119263; CS-0260127; G53625; EN300-7459528	364.08	C11H8BrF6NO	29.1	334	4.9	20	1	7	2	InChI=1S/C11H8BrF6NO/c1-5(12)9(20)19-8-3-6(10(13,14)15)2-7(4-8)11(16,17)18/h2-5H,1H3,(H,19,20)	CC(C(=O)NC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)Br	CC(C(=O)NC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)Br	PCESRJVCFUAIBU-UHFFFAOYSA-N	N-[3,5-bis(trifluoromethyl)phenyl]-2-bromopropanamide
LDCM0584	Fragment25	4288629	N-[3,5-bis(trifluoromethyl)phenyl]-2-chloropropanamide; 937604-58-5; N-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)-2-CHLOROPROPANAMIDE; CHEMBL5269119; SCHEMBL18763034; CTMSTGZMZGUIBJ-UHFFFAOYSA-N; MFCD00170293; AKOS005110698; MS-6286	319.63	C11H8ClF6NO	29.1	334	4.7	20	1	7	2	InChI=1S/C11H8ClF6NO/c1-5(12)9(20)19-8-3-6(10(13,14)15)2-7(4-8)11(16,17)18/h2-5H,1H3,(H,19,20)	CC(C(=O)NC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)Cl	CC(C(=O)NC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)Cl	CTMSTGZMZGUIBJ-UHFFFAOYSA-N	N-[3,5-bis(trifluoromethyl)phenyl]-2-chloropropanamide
LDCM0585	Fragment26	6957582	N-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)-3-PHENYL-2-PROPENAMIDE; SCHEMBL22196856; HAZXGZLAXKZRQX-VOTSOKGWSA-N; AKOS016621157	359.26	C17H11F6NO	29.1	457	5.4	25	1	7	3	InChI=1S/C17H11F6NO/c18-16(19,20)12-8-13(17(21,22)23)10-14(9-12)24-15(25)7-6-11-4-2-1-3-5-11/h1-10H,(H,24,25)/b7-6+	C1=CC=C(C=C1)/C=C/C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F	C1=CC=C(C=C1)C=CC(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F	HAZXGZLAXKZRQX-VOTSOKGWSA-N	(E)-N-[3,5-bis(trifluoromethyl)phenyl]-3-phenylprop-2-enamide
LDCM0586	Fragment28	25323227	2-chloro-N-[2-(2-methoxyphenoxy)ethyl]acetamide; 341930-71-0; 2-Chloro-N-(2-(2-methoxyphenoxy)ethyl)acetamide; acetamide, 2-chloro-N-[2-(2-methoxyphenoxy)ethyl]-; SCHEMBL20463424; AKOS005173829; CS-0303247; EN300-23064; G40342; Z147651580	243.68	C11H14ClNO3	47.6	213	1.8	16	1	3	6	InChI=1S/C11H14ClNO3/c1-15-9-4-2-3-5-10(9)16-7-6-13-11(14)8-12/h2-5H,6-8H2,1H3,(H,13,14)	COC1=CC=CC=C1OCCNC(=O)CCl	COC1=CC=CC=C1OCCNC(=O)CCl	KNVHMXSCCDHSLU-UHFFFAOYSA-N	2-chloro-N-[2-(2-methoxyphenoxy)ethyl]acetamide
LDCM0587	Fragment29	7131070	900641-12-5; 2-Chloro-1-(4-(2-morpholino-2-oxoethyl)piperazin-1-yl)ethan-1-one; SCHEMBL22196916; DTXSID101177976; 2-[4-(2-Chloroacetyl)-1-piperazinyl]-1-(4-morpholinyl)ethanone	289.76	C12H20ClN3O3	53.1	326	-0.7	19	0	4	3	InChI=1S/C12H20ClN3O3/c13-9-11(17)15-3-1-14(2-4-15)10-12(18)16-5-7-19-8-6-16/h1-10H2	C1CN(CCN1CC(=O)N2CCOCC2)C(=O)CCl	C1CN(CCN1CC(=O)N2CCOCC2)C(=O)CCl	YGHXRSQVSHCCID-UHFFFAOYSA-N	2-[4-(2-chloroacetyl)piperazin-1-yl]-1-morpholin-4-ylethanone
LDCM0588	Fragment30	16226935	2-chloro-N-[2-(diethylamino)-5-sulfamoylphenyl]acetamide; N-[5-(aminosulfonyl)-2-(diethylamino)phenyl]-2-chloroacetamide; 923168-91-6; 2-chloro-N-(2-(diethylamino)-5-sulfamoylphenyl)acetamide; SCHEMBL22196908; AKOS030685903; CS-0241253; EN300-23203; Z147651764	319.81	C12H18ClN3O3S	101	420	1.1	20	2	5	6	InChI=1S/C12H18ClN3O3S/c1-3-16(4-2)11-6-5-9(20(14,18)19)7-10(11)15-12(17)8-13/h5-7H,3-4,8H2,1-2H3,(H,15,17)(H2,14,18,19)	CCN(CC)C1=C(C=C(C=C1)S(=O)(=O)N)NC(=O)CCl	CCN(CC)C1=C(C=C(C=C1)S(=O)(=O)N)NC(=O)CCl	WQANNCFEHNFGDV-UHFFFAOYSA-N	2-chloro-N-[2-(diethylamino)-5-sulfamoylphenyl]acetamide
LDCM0589	Fragment31	129051180	SCHEMBL18763043; BOOHBGPSOIVVJL-UHFFFAOYSA-N; N-[3,5-bis(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)prop-2-enamide	374.28	C17H12F6N2O	33.2	483	4.1	26	0	8	4	InChI=1S/C17H12F6N2O/c1-2-15(26)25(10-11-4-3-5-24-9-11)14-7-12(16(18,19)20)6-13(8-14)17(21,22)23/h2-9H,1,10H2	C=CC(=O)N(CC1=CN=CC=C1)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F	C=CC(=O)N(CC1=CN=CC=C1)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F	BOOHBGPSOIVVJL-UHFFFAOYSA-N	N-[3,5-bis(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)prop-2-enamide
LDCM0590	Fragment32	4962364	668980-81-2; N-(3-tert-butylisoxazol-5-yl)-2-chloroacetamide; N-(3-tert-butyl-1,2-oxazol-5-yl)-2-chloroacetamide; N-(3-tert-Butyl-isoxazol-5-yl)-2-chloro-acetamide; N-(3-(tert-Butyl)isoxazol-5-yl)-2-chloroacetamide; SCHEMBL4442892; DTXSID00407075; MLGBUUNDROWYJV-UHFFFAOYSA-N; MFCD06655789; AKOS000532775; DA-03762; EN300-13315; E89260; N-(3-t-Butyl-5-isoxazolyl)-2-chloro-acetamide; SR-01000051651; SR-01000051651-1; Z90122381	216.66	C9H13ClN2O2	55.1	215	2.2	14	1	3	3	InChI=1S/C9H13ClN2O2/c1-9(2,3)6-4-8(14-12-6)11-7(13)5-10/h4H,5H2,1-3H3,(H,11,13)	CC(C)(C)C1=NOC(=C1)NC(=O)CCl	CC(C)(C)C1=NOC(=C1)NC(=O)CCl	MLGBUUNDROWYJV-UHFFFAOYSA-N	N-(3-tert-butyl-1,2-oxazol-5-yl)-2-chloroacetamide
LDCM0592	Fragment34	3817448	N-(adamantan-1-yl)-2-chloro-N-[(4-fluorophenyl)methyl]acetamide; 785792-27-0; N-1-adamantyl-2-chloro-N-(4-fluorobenzyl)acetamide; N-(1-adamantyl)-2-chloro-N-[(4-fluorophenyl)methyl]acetamide; C19H23ClFNO; SCHEMBL22196903; AKOS030748348; EN300-10645; G60031; Z56347478	335.8	C19H23ClFNO	20.3	419	4.6	23	0	2	4	InChI=1S/C19H23ClFNO/c20-11-18(23)22(12-13-1-3-17(21)4-2-13)19-8-14-5-15(9-19)7-16(6-14)10-19/h1-4,14-16H,5-12H2	C1C2CC3CC1CC(C2)(C3)N(CC4=CC=C(C=C4)F)C(=O)CCl	C1C2CC3CC1CC(C2)(C3)N(CC4=CC=C(C=C4)F)C(=O)CCl	JMFUCWQPDQMNHC-UHFFFAOYSA-N	N-(1-adamantyl)-2-chloro-N-[(4-fluorophenyl)methyl]acetamide
LDCM0593	Fragment35	795856	436087-22-8; N-(2-Azepan-1-yl-phenyl)-2-chloro-acetamide; N-[2-(azepan-1-yl)phenyl]-2-chloroacetamide; N-(2-(Azepan-1-yl)phenyl)-2-chloroacetamide; N-(2-AZEPAN-1-YL-PHENYL)-2-CHLOROACETAMIDE; DTXSID80355287; AKOS000300665; PS-0357; SR-01000370516; SR-01000370516-1	266.76	C14H19ClN2O	32.299	265	3	18	1	2	3	InChI=1S/C14H19ClN2O/c15-11-14(18)16-12-7-3-4-8-13(12)17-9-5-1-2-6-10-17/h3-4,7-8H,1-2,5-6,9-11H2,(H,16,18)	C1CCCN(CC1)C2=CC=CC=C2NC(=O)CCl	C1CCCN(CC1)C2=CC=CC=C2NC(=O)CCl	HAGDLBIXXCCOEH-UHFFFAOYSA-N	N-[2-(azepan-1-yl)phenyl]-2-chloroacetamide
LDCM0594	Fragment36	129051182	SCHEMBL18763045; VGXWNCVOUSWYED-UHFFFAOYSA-N; 3-[(2-Chloroacetyl)amino]-5-(trifluoromethyl)benzoic acid	281.61	C10H7ClF3NO3	66.4	335	2.1	18	2	6	3	InChI=1S/C10H7ClF3NO3/c11-4-8(16)15-7-2-5(9(17)18)1-6(3-7)10(12,13)14/h1-3H,4H2,(H,15,16)(H,17,18)	C1=C(C=C(C=C1C(F)(F)F)NC(=O)CCl)C(=O)O	C1=C(C=C(C=C1C(F)(F)F)NC(=O)CCl)C(=O)O	VGXWNCVOUSWYED-UHFFFAOYSA-N	3-[(2-chloroacetyl)amino]-5-(trifluoromethyl)benzoic acid
LDCM0595	Fragment37	129051183	SCHEMBL18763046	274.29	C15H15FN2O2	46.3	382	2.5	20	0	4	2	InChI=1S/C15H15FN2O2/c1-2-14(19)18-7-5-10(6-8-18)15-12-9-11(16)3-4-13(12)20-17-15/h2-4,9-10H,1,5-8H2	C=CC(=O)N1CCC(CC1)C2=NOC3=C2C=C(C=C3)F	C=CC(=O)N1CCC(CC1)C2=NOC3=C2C=C(C=C3)F	YWOWINNNZMSMGC-UHFFFAOYSA-N	1-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]prop-2-en-1-one
LDCM0596	Fragment38	129051174	SCHEMBL18763033	367.4	C18H23F2N3O3	61.9	518	2.7	26	1	6	5	InChI=1S/C18H23F2N3O3/c1-5-15(24)21-12-10-13(19)16(14(20)11-12)22-6-8-23(9-7-22)17(25)26-18(2,3)4/h5,10-11H,1,6-9H2,2-4H3,(H,21,24)	CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=C(C=C2F)NC(=O)C=C)F	CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=C(C=C2F)NC(=O)C=C)F	HACHJCZETQIIOK-UHFFFAOYSA-N	tert-butyl 4-[2,6-difluoro-4-(prop-2-enoylamino)phenyl]piperazine-1-carboxylate
LDCM0597	Fragment39	4961710	1008996-86-8; methyl 2-(chloroacetyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate; methyl 2-(2-chloroacetyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate; methyl 2-(2-chloroacetyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate; methyl (3R)-2-(2-chloroacetyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate; MLS000772207; CHEMBL1431475; SCHEMBL22196919; CHEBI:116387; HMS2724F20; MFCD06376743; AKOS008968696; SMR000344370; CS-0224197; EN300-11821; SR-01000744029; J-000247; SR-01000744029-2; Q27199271; Z57984421; methyl2-(2-chloroacetyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate; 2-(2-chloro-1-oxoethyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester	267.71	C13H14ClNO3	46.6	334	1.8	18	0	3	3	InChI=1S/C13H14ClNO3/c1-18-13(17)11-6-9-4-2-3-5-10(9)8-15(11)12(16)7-14/h2-5,11H,6-8H2,1H3	COC(=O)C1CC2=CC=CC=C2CN1C(=O)CCl	COC(=O)C1CC2=CC=CC=C2CN1C(=O)CCl	YOYAEGIJBAENNO-UHFFFAOYSA-N	methyl 2-(2-chloroacetyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate
LDCM0598	Fragment40	129051170	SCHEMBL18763028	254.12	C11H12BrNO	29.1	229	2.2	14	1	1	2	InChI=1S/C11H12BrNO/c1-4-11(14)13-10-6-7(2)9(12)5-8(10)3/h4-6H,1H2,2-3H3,(H,13,14)	CC1=CC(=C(C=C1Br)C)NC(=O)C=C	CC1=CC(=C(C=C1Br)C)NC(=O)C=C	BXBPLMBKUVLEHZ-UHFFFAOYSA-N	N-(4-bromo-2,5-dimethylphenyl)prop-2-enamide
LDCM0599	Fragment41	842847	MLS000710558; CHEMBL1582719; SCHEMBL22196883; HMS2657P09; STK701544; AKOS000525896; SMR000280325; SR-01000312104; SR-01000312104-1; (2E)-2-cyano-3-(4-methylphenyl)-N-[2-(4-morpholinyl)ethyl]-2-propenamide; (2E)-2-cyano-3-(4-methylphenyl)-N-[2-(morpholin-4-yl)ethyl]prop-2-enamide	299.37	C17H21N3O2	65.4	438	1.6	22	1	4	5	InChI=1S/C17H21N3O2/c1-14-2-4-15(5-3-14)12-16(13-18)17(21)19-6-7-20-8-10-22-11-9-20/h2-5,12H,6-11H2,1H3,(H,19,21)/b16-12+	CC1=CC=C(C=C1)/C=C(\C#N)/C(=O)NCCN2CCOCC2	CC1=CC=C(C=C1)C=C(C#N)C(=O)NCCN2CCOCC2	XWXMENKOCWBTAF-FOWTUZBSSA-N	(E)-2-cyano-3-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)prop-2-enamide
LDCM0600	Fragment42	710421	301691-16-7; (E)-3-(5-(2-chlorophenyl)furan-2-yl)-2-cyanoacrylamide; (E)-3-[5-(2-chlorophenyl)furan-2-yl]-2-cyanoprop-2-enamide; (2E)-3-[5-(2-CHLOROPHENYL)FURAN-2-YL]-2-CYANOPROP-2-ENAMIDE; SCHEMBL22196893; AKOS000522338; F0350-0110; 3-(5-(2-CHLOROPHENYL)-2-FURYL)-2-CYANOACRYLAMIDE	272.68	C14H9ClN2O2	80	426	2.5	19	1	3	3	InChI=1S/C14H9ClN2O2/c15-12-4-2-1-3-11(12)13-6-5-10(19-13)7-9(8-16)14(17)18/h1-7H,(H2,17,18)/b9-7+	C1=CC=C(C(=C1)C2=CC=C(O2)/C=C(\C#N)/C(=O)N)Cl	C1=CC=C(C(=C1)C2=CC=C(O2)C=C(C#N)C(=O)N)Cl	UTNXVTBOJXHUAL-VQHVLOKHSA-N	(E)-3-[5-(2-chlorophenyl)furan-2-yl]-2-cyanoprop-2-enamide
LDCM0601	Fragment43	2303719	2-chloro-N-(3,5-dimethoxyphenyl)acetamide; 66932-96-5; 2-Chloro-N-(3,5-dimethoxy-phenyl)-acetamide; N-(3,5-dimethoxyphenyl)-2-chloroacetamide; SCHEMBL4003605; CHEMBL4753202; DTXSID10367893; MFCD00751234; STK887703; AKOS000266298; AM101119; BS-10275; PD168612; UPCMLD0ENAT0515-3721:001; CS-0218683; EN300-01701; Z56899803; V2U	229.66	C10H12ClNO3	47.6	201	1.7	15	1	3	4	InChI=1S/C10H12ClNO3/c1-14-8-3-7(12-10(13)6-11)4-9(5-8)15-2/h3-5H,6H2,1-2H3,(H,12,13)	COC1=CC(=CC(=C1)NC(=O)CCl)OC	COC1=CC(=CC(=C1)NC(=O)CCl)OC	OAFXUKHPQCSRPT-UHFFFAOYSA-N	2-chloro-N-(3,5-dimethoxyphenyl)acetamide
LDCM0602	Fragment44	24720999	SCHEMBL6075407	255.65	C8H14ClNO6	119	253	-1.1	16	5	6	3	InChI=1S/C8H14ClNO6/c9-1-4(12)10-5-7(14)6(13)3(2-11)16-8(5)15/h3,5-8,11,13-15H,1-2H2,(H,10,12)/t3-,5-,6-,7-,8?/m1/s1	C([C@@H]1[C@H]([C@@H]([C@H](C(O1)O)NC(=O)CCl)O)O)O	C(C1C(C(C(C(O1)O)NC(=O)CCl)O)O)O	FWHXONMDYJDIIL-ZQLGFOCFSA-N	2-chloro-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
LDCM0603	Fragment45	16227191	99435-01-5; 1-(chloroacetyl)-2-methyl-1,2,3,4-tetrahydroquinoline; 2-chloro-1-(2-methyl-1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one; Quinoline, 1-(chloroacetyl)-1,2,3,4-tetrahydro-2-methyl-; 2-chloro-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone; SCHEMBL18763040; DTXSID60585388; AKOS000199031; AKOS016895897; CS-0242229; EN300-24627; G19068; Z199424092; 2-chloro-1-(2-methyl-3,4-dihydroquinolin-1(2H)-yl)ethanone; 2-Chloro-1-(2-methyl-3,4-dihydroquinolin-1(2H)-yl)ethan-1-one; Ethanone, 2-chloro-1-(3,4-dihydro-2-methyl-1(2H)-quinolinyl)-	223.7	C12H14ClNO	20.3	244	2.7	15	0	1	1	InChI=1S/C12H14ClNO/c1-9-6-7-10-4-2-3-5-11(10)14(9)12(15)8-13/h2-5,9H,6-8H2,1H3	CC1CCC2=CC=CC=C2N1C(=O)CCl	CC1CCC2=CC=CC=C2N1C(=O)CCl	IHCRAZZCFAMEDH-UHFFFAOYSA-N	2-chloro-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
LDCM0604	Fragment46	129051178	SCHEMBL18763039	229.32	C15H19NO	20.3	262	3.7	17	0	1	3	InChI=1S/C15H19NO/c1-2-15(17)16(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h2-3,5-6,9-10,14H,1,4,7-8,11-12H2	C=CC(=O)N(C1CCCCC1)C2=CC=CC=C2	C=CC(=O)N(C1CCCCC1)C2=CC=CC=C2	HEFLCGVIIWJMRU-UHFFFAOYSA-N	N-cyclohexyl-N-phenylprop-2-enamide
LDCM0605	Fragment47	124111194	SCHEMBL18285190	252.11	C11H10BrNO	20.3	254	2.6	14	0	1	1	InChI=1S/C11H10BrNO/c1-2-11(14)13-6-5-8-7-9(12)3-4-10(8)13/h2-4,7H,1,5-6H2	C=CC(=O)N1CCC2=C1C=CC(=C2)Br	C=CC(=O)N1CCC2=C1C=CC(=C2)Br	GFSRKGXIDBTJBQ-UHFFFAOYSA-N	1-(5-bromo-2,3-dihydroindol-1-yl)prop-2-en-1-one
LDCM0606	Fragment48	129051167	Benzyl Acrylfentanyl (hydrochloride); SCHEMBL18763023; NS00097880	320.4	C21H24N2O	23.6	402	4	24	0	2	5	InChI=1S/C21H24N2O/c1-2-21(24)23(19-11-7-4-8-12-19)20-13-15-22(16-14-20)17-18-9-5-3-6-10-18/h2-12,20H,1,13-17H2	C=CC(=O)N(C1CCN(CC1)CC2=CC=CC=C2)C3=CC=CC=C3	C=CC(=O)N(C1CCN(CC1)CC2=CC=CC=C2)C3=CC=CC=C3	BANFGBDVLADRGR-UHFFFAOYSA-N	N-(1-benzylpiperidin-4-yl)-N-phenylprop-2-enamide
LDCM0607	Fragment49	66479957	2-Chloro-N-(2-methyl-5-(trifluoromethyl)phenyl)acetamide; 1506289-07-1; 2-chloro-N-[2-methyl-5-(trifluoromethyl)phenyl]acetamide; SCHEMBL18763038; QGPKBSWLHPPIKQ-UHFFFAOYSA-N; AKOS015825525; A1-41045; Z1295687493	251.63	C10H9ClF3NO	29.1	257	2.6	16	1	4	2	InChI=1S/C10H9ClF3NO/c1-6-2-3-7(10(12,13)14)4-8(6)15-9(16)5-11/h2-4H,5H2,1H3,(H,15,16)	CC1=C(C=C(C=C1)C(F)(F)F)NC(=O)CCl	CC1=C(C=C(C=C1)C(F)(F)F)NC(=O)CCl	QGPKBSWLHPPIKQ-UHFFFAOYSA-N	2-chloro-N-[2-methyl-5-(trifluoromethyl)phenyl]acetamide
LDCM0608	Fragment50	4906871	1-(5-Bromoindolin-1-yl)-2-chloroethan-1-one; 87866-10-2; 1-(5-bromo-2,3-dihydroindol-1-yl)-2-chloroethanone; 1-(5-bromo-2,3-dihydro-1H-indol-1-yl)-2-chloroethanone; SCHEMBL18763042; STL376789; AKOS000399729; DB-406735; G64374; Z111457176	274.54	C10H9BrClNO	20.3	236	2.6	14	0	1	1	InChI=1S/C10H9BrClNO/c11-8-1-2-9-7(5-8)3-4-13(9)10(14)6-12/h1-2,5H,3-4,6H2	C1CN(C2=C1C=C(C=C2)Br)C(=O)CCl	C1CN(C2=C1C=C(C=C2)Br)C(=O)CCl	AWKDKABVXZTIMG-UHFFFAOYSA-N	1-(5-bromo-2,3-dihydroindol-1-yl)-2-chloroethanone
LDCM0610	Fragment52	2170628	3289-77-8; 2-chloro-N-(4-phenylphenyl)acetamide; N-1,1'-biphenyl-4-yl-2-chloroacetamide; MLS000517129; N-1,1''-BIPHENYL-4-YL-2-CHLOROACETAMIDE; SMR000343289; N-(1,1'-biphenyl-4-yl)-2-chloroacetamide; N-[1,1'-biphenyl]-4-yl-2-chloroacetamide; N-([1,1'-Biphenyl]-4-yl)-2-chloroacetamide; N-{[1,1'-BIPHENYL]-4-YL}-2-CHLOROACETAMIDE; N-(biphenyl-4-yl)-2-chloroacetamide; SCHEMBL2330263; CHEMBL1303953; BDBM63659; cid_2170628; DTXSID50366800; HMS2684A18; MFCD01002187; STK353623; AKOS000266856; 2-chloranyl-N-(4-phenylphenyl)ethanamide; DB-172883; CS-0220985; EN300-08075; G41197; Z56935316	245.7	C14H12ClNO	29.1	243	3.3	17	1	1	3	InChI=1S/C14H12ClNO/c15-10-14(17)16-13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9H,10H2,(H,16,17)	C1=CC=C(C=C1)C2=CC=C(C=C2)NC(=O)CCl	C1=CC=C(C=C1)C2=CC=C(C=C2)NC(=O)CCl	IDXDZLUJUXGKJZ-UHFFFAOYSA-N	2-chloro-N-(4-phenylphenyl)acetamide
LDCM0611	Fragment53	43616381	1-(4-Benzylpiperidino)-2-propene-1-one; CHEMBL4535346; 1-(4-benzylpiperidin-1-yl)prop-2-en-1-one; 205435-93-4; SCHEMBL18763025; BDBM50526121; PD169698; EN300-24892908; Z440634182	229.32	C15H19NO	20.3	260	3	17	0	1	3	InChI=1S/C15H19NO/c1-2-15(17)16-10-8-14(9-11-16)12-13-6-4-3-5-7-13/h2-7,14H,1,8-12H2	C=CC(=O)N1CCC(CC1)CC2=CC=CC=C2	C=CC(=O)N1CCC(CC1)CC2=CC=CC=C2	VQWUZYUJTVJZQO-UHFFFAOYSA-N	1-(4-benzylpiperidin-1-yl)prop-2-en-1-one
LDCM0612	Fragment54	129051168	SCHEMBL18763024	244.67	C10H13ClN2O3	82.4	240	-0.1	16	3	4	4	InChI=1S/C10H13ClN2O3/c1-6-10(16)8(4-13-9(15)2-11)7(5-14)3-12-6/h3,14,16H,2,4-5H2,1H3,(H,13,15)	CC1=NC=C(C(=C1O)CNC(=O)CCl)CO	CC1=NC=C(C(=C1O)CNC(=O)CCl)CO	OCAATDJIIWSKFF-UHFFFAOYSA-N	2-chloro-N-[[3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl]methyl]acetamide
LDCM0613	Fragment55	5152762	N-(6-amino-2,4-dioxo-1-propyl-1,2,3,4-tetrahydropyrimidin-5-yl)-N-butyl-2-chloroacetamide; 731011-95-3; SCHEMBL22196887; DTXSID801122910; AKOS001045707; N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-chloroacetamide; UPCMLD0ENAT0520-4091:001; CS-0220531; EN300-06884; Z56949569; N-(6-Amino-1,2,3,4-tetrahydro-2,4-dioxo-1-propyl-5-pyrimidinyl)-N-butyl-2-chloroacetamide; N-(6-AMINO-2,4-DIOXO-1-PROPYL-3H-PYRIMIDIN-5-YL)-N-BUTYL-2-CHLOROACETAMIDE	316.78	C13H21ClN4O3	95.7	464	1.1	21	2	4	7	InChI=1S/C13H21ClN4O3/c1-3-5-7-17(9(19)8-14)10-11(15)18(6-4-2)13(21)16-12(10)20/h3-8,15H2,1-2H3,(H,16,20,21)	CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)CCl	CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)CCl	GGLVBFJXJFVEQO-UHFFFAOYSA-N	N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-chloroacetamide
LDCM0614	Fragment56	43616276	245057-86-7; 1-(6,7-Dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)prop-2-en-1-one; 1-(3,4-Dihydro-6,7-dimethoxyisoquinolin-2(1H)-yl)prop-2-en-1-one; 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)prop-2-en-1-one; 1-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)prop-2-en-1-one; SCHEMBL4779487; CHEMBL4750663; BCP30778; MFCD12091127; DY-0211; s10051; DB-120871; EN300-14485601; Z1937846649	247.29	C14H17NO3	38.8	318	1.8	18	0	3	3	InChI=1S/C14H17NO3/c1-4-14(16)15-6-5-10-7-12(17-2)13(18-3)8-11(10)9-15/h4,7-8H,1,5-6,9H2,2-3H3	COC1=C(C=C2CN(CCC2=C1)C(=O)C=C)OC	COC1=C(C=C2CN(CCC2=C1)C(=O)C=C)OC	GEUWOWUYASBMCB-UHFFFAOYSA-N	1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)prop-2-en-1-one
LDCM0615	Fragment63-R	129074791	SCHEMBL18790578; PD128010; 1956368-39-0	441.9	C24H28ClN3O3	53.1	599	3.4	31	0	4	5	InChI=1S/C24H28ClN3O3/c25-17-23(29)28(21-5-2-1-3-6-21)22-7-4-12-27(18-22)24(30)19-8-10-20(11-9-19)26-13-15-31-16-14-26/h1-3,5-6,8-11,22H,4,7,12-18H2/t22-/m1/s1	C1C[C@H](CN(C1)C(=O)C2=CC=C(C=C2)N3CCOCC3)N(C4=CC=CC=C4)C(=O)CCl	C1CC(CN(C1)C(=O)C2=CC=C(C=C2)N3CCOCC3)N(C4=CC=CC=C4)C(=O)CCl	MRAMUVZVDBOPEH-JOCHJYFZSA-N	2-chloro-N-[(3R)-1-(4-morpholin-4-ylbenzoyl)piperidin-3-yl]-N-phenylacetamide
LDCM0616	Fragment61	129051179	SCHEMBL18763041	380.9	C22H21ClN2O2	40.6	570	3.9	27	0	2	5	InChI=1S/C22H21ClN2O2/c1-2-17-7-6-8-18(15-17)22(27)24-13-11-20(12-14-24)25(21(26)16-23)19-9-4-3-5-10-19/h1,3-10,15,20H,11-14,16H2	C#CC1=CC(=CC=C1)C(=O)N2CCC(CC2)N(C3=CC=CC=C3)C(=O)CCl	C#CC1=CC(=CC=C1)C(=O)N2CCC(CC2)N(C3=CC=CC=C3)C(=O)CCl	AOMPIUUSFRUOCF-UHFFFAOYSA-N	2-chloro-N-[1-(3-ethynylbenzoyl)piperidin-4-yl]-N-phenylacetamide
LDCM0617	Fragment63-S	129074790	SCHEMBL18790577	441.9	C24H28ClN3O3	53.1	599	3.4	31	0	4	5	InChI=1S/C24H28ClN3O3/c25-17-23(29)28(21-5-2-1-3-6-21)22-7-4-12-27(18-22)24(30)19-8-10-20(11-9-19)26-13-15-31-16-14-26/h1-3,5-6,8-11,22H,4,7,12-18H2/t22-/m0/s1	C1C[C@@H](CN(C1)C(=O)C2=CC=C(C=C2)N3CCOCC3)N(C4=CC=CC=C4)C(=O)CCl	C1CC(CN(C1)C(=O)C2=CC=C(C=C2)N3CCOCC3)N(C4=CC=CC=C4)C(=O)CCl	MRAMUVZVDBOPEH-QFIPXVFZSA-N	2-chloro-N-[(3S)-1-(4-morpholin-4-ylbenzoyl)piperidin-3-yl]-N-phenylacetamide
LDCM0618	IA-alkyne1	44448710	N-Hex-5-ynyl-2-iodo-acetamide; 930800-38-7; IA-alkyne; iodoacetamide alkyne; N-hex-5-ynyl-2-iodoacetamide; N-5-Hexyn-1-yl-2-iodoacetamide; CHEMBL257362; MFCD18839149; N-(HEX-5-YN-1-YL)-2-IODOACETAMIDE; Iodoacetamide-alkyne;N-Hex-5-ynyl-2-iodo-acetamide; IA-alkyne(Hex); C8H12INO; SCHEMBL15159482; GLXC-20670; BDBM50376513; AKOS026672328; AS-60028; HY-136205; CS-0120600; E73985	265.09	C8H12INO	29.1	159	1.5	11	1	1	5	InChI=1S/C8H12INO/c1-2-3-4-5-6-10-8(11)7-9/h1H,3-7H2,(H,10,11)	C#CCCCCNC(=O)CI	C#CCCCCNC(=O)CI	YCRUVTMZPHEOAM-UHFFFAOYSA-N	N-hex-5-ynyl-2-iodoacetamide
LDCM0619	ONAyne	122553555	SCHEMBL18092604	152.19	C9H12O2	34.1	173	0.2	11	0	2	6	InChI=1S/C9H12O2/c1-2-3-4-6-9(11)7-5-8-10/h1,8H,3-7H2	C#CCCCC(=O)CCC=O	C#CCCCC(=O)CCC=O	ZXVLUJLEQJDHPI-UHFFFAOYSA-N	4-oxonon-8-ynal
LDCM0620	STP	91757886	Pentynoic acid STP ester; 1807530-14-8; BP-22525; Sodium 2,3,5,6-tetrafluoro-4-(pent-4-ynoyloxy)benzenesulfonate	348.2	C11H5F4NaO5S	91.9	526	.	22	0	9	5	InChI=1S/C11H6F4O5S.Na/c1-2-3-4-5(16)20-10-6(12)8(14)11(21(17,18)19)9(15)7(10)13;/h1H,3-4H2,(H,17,18,19);/q;+1/p-1	C#CCCC(=O)OC1=C(C(=C(C(=C1F)F)S(=O)(=O)[O-])F)F.[Na+]	C#CCCC(=O)OC1=C(C(=C(C(=C1F)F)S(=O)(=O)[O-])F)F.[Na+]	QVSTTZKAIDTZNG-UHFFFAOYSA-M	sodium;2,3,5,6-tetrafluoro-4-pent-4-ynoyloxybenzenesulfonate
LDCM0621	AC154	132317253	N-[2-(5-Methylpyrazin-2-yl)ethyl]prop-2-enamide; 2176573-12-7; AKOS034007130; EN300-7522239; Z3488536841	191.23	C10H13N3O	54.9	206	0.4	14	1	3	4	InChI=1S/C10H13N3O/c1-3-10(14)11-5-4-9-7-12-8(2)6-13-9/h3,6-7H,1,4-5H2,2H3,(H,11,14)	CC1=CN=C(C=N1)CCNC(=O)C=C	CC1=CN=C(C=N1)CCNC(=O)C=C	DPJVDLXZLCPLDH-UHFFFAOYSA-N	N-[2-(5-methylpyrazin-2-yl)ethyl]prop-2-enamide
LDCM0622	AC155	121582145	N-[4-(4-methyl-1,3-thiazol-2-yl)oxan-4-yl]prop-2-enamide; 2093829-77-5; EN300-6670035; Z2737383410	252.33	C12H16N2O2S	79.5	303	1.3	17	1	4	3	InChI=1S/C12H16N2O2S/c1-3-10(15)14-12(4-6-16-7-5-12)11-13-9(2)8-17-11/h3,8H,1,4-7H2,2H3,(H,14,15)	CC1=CSC(=N1)C2(CCOCC2)NC(=O)C=C	CC1=CSC(=N1)C2(CCOCC2)NC(=O)C=C	CIEGOIMGZVHWCI-UHFFFAOYSA-N	N-[4-(4-methyl-1,3-thiazol-2-yl)oxan-4-yl]prop-2-enamide
LDCM0623	AC156	132317225	AKOS034007093; EN300-6702053; N-(4,4-dimethyl-2-oxopyrrolidin-3-yl)prop-2-enamide; Z3488537785; 2174189-31-0	182.22	C9H14N2O2	58.2	258	0.5	13	2	2	2	InChI=1S/C9H14N2O2/c1-4-6(12)11-7-8(13)10-5-9(7,2)3/h4,7H,1,5H2,2-3H3,(H,10,13)(H,11,12)	CC1(CNC(=O)C1NC(=O)C=C)C	CC1(CNC(=O)C1NC(=O)C=C)C	BEBYLAPLOZMSAC-UHFFFAOYSA-N	N-(4,4-dimethyl-2-oxopyrrolidin-3-yl)prop-2-enamide
LDCM0624	AC157	132317770	2223085-99-0; N-[[(2S,3S)-4-Methyl-3-phenylmorpholin-2-yl]methyl]prop-2-enamide; N-{[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]methyl}prop-2-enamide; AKOS034818720; EN300-6702387; Z4511812680	260.329	C15H20N2O2	41.6	313	1.4	19	1	3	4	InChI=1S/C15H20N2O2/c1-3-14(18)16-11-13-15(17(2)9-10-19-13)12-7-5-4-6-8-12/h3-8,13,15H,1,9-11H2,2H3,(H,16,18)/t13-,15-/m0/s1	CN1CCO[C@H]([C@@H]1C2=CC=CC=C2)CNC(=O)C=C	CN1CCOC(C1C2=CC=CC=C2)CNC(=O)C=C	ABVUCMJFVBYMDM-ZFWWWQNUSA-N	N-[[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]methyl]prop-2-enamide
LDCM0625	F8	4896132	111631-72-2; 2-(chloroacetyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline; 2-chloro-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethanone; 2-chloro-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone; 2-(2-Chloroacetyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline; 2-chloro-1-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)ethan-1-one; CHEMBL4789707; SCHEMBL22196923; DTXSID40406704; BBL012880; MFCD00264807; STK788687; AKOS000199030; UPCMLD0ENAT5441911:001; PD168613; VS-03563; EN300-14739; VU0549367-1; G30923; A894701; J-506278; F9995-0412; Z108565160; 2-chloro-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one; 2-Chloro-1-[6,7-dimethoxy-3,4-dihydro-2(1h)-isoquinolinyl]-1-ethanone	269.72	C13H16ClNO3	38.8	300	1.8	18	0	3	3	InChI=1S/C13H16ClNO3/c1-17-11-5-9-3-4-15(13(16)7-14)8-10(9)6-12(11)18-2/h5-6H,3-4,7-8H2,1-2H3	COC1=C(C=C2CN(CCC2=C1)C(=O)CCl)OC	COC1=C(C=C2CN(CCC2=C1)C(=O)CCl)OC	KHDGBPOMQWRELV-UHFFFAOYSA-N	2-chloro-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
LDCM0626	Probe 19	.	.	641.726	C31H43N7O8	198.06	641.3173113	4.6344	46	3	11	21	InChI=1S/C31H43N7O8/c1-31(36-37-31)14-13-26(40)33-15-7-6-8-22(35-38-32)30(41)34-16-17-46-27-21(19-25(43-3)28(44-4)29(27)45-5)11-9-20-10-12-24(42-2)23(39)18-20/h10,12,18-19,22,39H,6-9,11,13-17H2,1-5H3,(H,33,40)(H,34,41)/t22-/m0/s1	COc1ccc(CCc2cc(OC)c(OC)c(OC)c2OCCNC(=O)[C@H](CCCCNC(=O)CCC2(C)N=N2)N=[N+]=[N-])cc1O	COc1ccc(CCc2cc(OC)c(OC)c(OC)c2OCCNC(=O)C(CCCCNC(=O)CCC2(C)N=N2)N=[N+]=[N-])cc1O	FGSCUSULFAOBFM-QFIPXVFZSA-N	.
LDCM0627	NUDT7-COV-1	138393288	NUDT7-COV-1; GTPL10384; 2-{3-[1-(2-chloroacetyl)pyrrolidin-2-yl]phenyl}-N-(3-chlorophenyl)acetamide	391.3	C20H20Cl2N2O2	49.4	502	3.8	26	1	2	5	InChI=1S/C20H20Cl2N2O2/c21-13-20(26)24-9-3-8-18(24)15-5-1-4-14(10-15)11-19(25)23-17-7-2-6-16(22)12-17/h1-2,4-7,10,12,18H,3,8-9,11,13H2,(H,23,25)	C1CC(N(C1)C(=O)CCl)C2=CC=CC(=C2)CC(=O)NC3=CC(=CC=C3)Cl	C1CC(N(C1)C(=O)CCl)C2=CC=CC(=C2)CC(=O)NC3=CC(=CC=C3)Cl	ZJGDVCKAHPNDQT-UHFFFAOYSA-N	2-[3-[1-(2-chloroacetyl)pyrrolidin-2-yl]phenyl]-N-(3-chlorophenyl)acetamide
LDCM0628	OTUB2-COV-1	2828225	CBDivE_000963; N'-(2-chloroacetyl)-2-phenylcyclopropane-1-carbohydrazide; STK748183; AKOS024288682; SR-01000195904; N'-(chloroacetyl)-2-phenylcyclopropanecarbohydrazide; SR-01000195904-1	252.69	C12H13ClN2O2	58.2	303	1.5	17	2	2	3	InChI=1S/C12H13ClN2O2/c13-7-11(16)14-15-12(17)10-6-9(10)8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H,14,16)(H,15,17)	C1C(C1C(=O)NNC(=O)CCl)C2=CC=CC=C2	C1C(C1C(=O)NNC(=O)CCl)C2=CC=CC=C2	MDZKSIJGAAFPGQ-UHFFFAOYSA-N	N'-(2-chloroacetyl)-2-phenylcyclopropane-1-carbohydrazide
LDCM0629	AZ-9	165640300	3-[4-(prop-2-yn-1-yloxy)phenyl]-2H-azirine; 2422137-06-0; 3-(4-(Prop-2-yn-1-yloxy)phenyl)-2H-azirine; EN300-28268157	171.19	C11H9NO	21.6	253	1.7	13	0	2	3	InChI=1S/C11H9NO/c1-2-7-13-10-5-3-9(4-6-10)11-8-12-11/h1,3-6H,7-8H2	C#CCOC1=CC=C(C=C1)C2=NC2	C#CCOC1=CC=C(C=C1)C2=NC2	QDMVCUAYFOASAL-UHFFFAOYSA-N	3-(4-prop-2-ynoxyphenyl)-2H-azirine
LDCM0630	CCW28-3	152317726	CHEMBL5274757; SCHEMBL23748628; BDBM50404382; PD140989; 2361142-23-4	821.8	C44H42Cl2N6O4S	139	1320	8.7	57	1	8	15	InChI=1S/C44H42Cl2N6O4S/c1-28-29(2)57-44-41(28)42(32-11-13-33(46)14-12-32)48-38(43-50-49-30(3)52(43)44)25-39(53)47-23-7-8-24-55-35-19-21-37(22-20-35)56-36-17-15-34(16-18-36)51(40(54)26-45)27-31-9-5-4-6-10-31/h4-6,9-22,38H,7-8,23-27H2,1-3H3,(H,47,53)/t38-/m0/s1	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)NCCCCOC4=CC=C(C=C4)OC5=CC=C(C=C5)N(CC6=CC=CC=C6)C(=O)CCl)C7=CC=C(C=C7)Cl)C	CC1=C(SC2=C1C(=NC(C3=NN=C(N32)C)CC(=O)NCCCCOC4=CC=C(C=C4)OC5=CC=C(C=C5)N(CC6=CC=CC=C6)C(=O)CCl)C7=CC=C(C=C7)Cl)C	WSSWVTZWODGGCO-LHEWISCISA-N	N-[4-[4-[4-[benzyl-(2-chloroacetyl)amino]phenoxy]phenoxy]butyl]-2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetamide
LDCM0631	CCW16	150069746	CCW16; 2361138-33-0; CHEMBL5274740; N-Benzyl-2-chloro-N-(4-(4-methoxyphenoxy)phenyl)acetamide; N-benzyl-2-chloro-N-[4-(4-methoxyphenoxy)phenyl]acetamide; SCHEMBL22823726; EX-A5006; BDBM50404381; DA-51690; HY-143346; CS-0436669; F84108	381.8	C22H20ClNO3	38.8	439	4.9	27	0	3	7	InChI=1S/C22H20ClNO3/c1-26-19-11-13-21(14-12-19)27-20-9-7-18(8-10-20)24(22(25)15-23)16-17-5-3-2-4-6-17/h2-14H,15-16H2,1H3	COC1=CC=C(C=C1)OC2=CC=C(C=C2)N(CC3=CC=CC=C3)C(=O)CCl	COC1=CC=C(C=C1)OC2=CC=C(C=C2)N(CC3=CC=CC=C3)C(=O)CCl	DPADEQNOMBTITM-UHFFFAOYSA-N	N-benzyl-2-chloro-N-[4-(4-methoxyphenoxy)phenyl]acetamide
LDCM0632	CL-Sc	130520615	1865089-54-8; N-[1-(1-methyl-1H-pyrazol-4-yl)ethyl]prop-2-enamide; AKOS033934925; EN300-2560427; N-[1-(1-Methylpyrazol-4-yl)ethyl]prop-2-enamide; Z2034642310	179.22	C9H13N3O	46.9	205	0.3	13	1	2	3	InChI=1S/C9H13N3O/c1-4-9(13)11-7(2)8-5-10-12(3)6-8/h4-7H,1H2,2-3H3,(H,11,13)	CC(C1=CN(N=C1)C)NC(=O)C=C	CC(C1=CN(N=C1)C)NC(=O)C=C	FGJOKKMYJHJBGS-UHFFFAOYSA-N	N-[1-(1-methylpyrazol-4-yl)ethyl]prop-2-enamide
LDCM0633	IPM	58992338	2-iodo-N-(prop-2-yn-1-yl)acetamide; 1010386-64-7; 2-iodo-N-prop-2-ynylacetamide; IA-alkyne(Pr); SCHEMBL2026442; 2-Iodo-N-prop-2-ynyl-acetamide; GLXC-26734; MFCD20414752; AKOS014117575; CS-0235968; G74149; EN300-1659582	223.01	C5H6INO	29.1	124	0.3	8	1	1	2	InChI=1S/C5H6INO/c1-2-3-7-5(8)4-6/h1H,3-4H2,(H,7,8)	C#CCNC(=O)CI	C#CCNC(=O)CI	CSMMHDBFJDWUDO-UHFFFAOYSA-N	2-iodo-N-prop-2-ynylacetamide
LDCM0634	CY-0357	43699902	N-[6-(morpholin-4-yl)pyridin-3-yl]prop-2-enamide; CY-0357; EN300-12841115; Z445402762; 1153927-08-2	233.27	C12H15N3O2	54.5	277	0.7	17	1	4	3	InChI=1S/C12H15N3O2/c1-2-12(16)14-10-3-4-11(13-9-10)15-5-7-17-8-6-15/h2-4,9H,1,5-8H2,(H,14,16)	C=CC(=O)NC1=CN=C(C=C1)N2CCOCC2	C=CC(=O)NC1=CN=C(C=C1)N2CCOCC2	LHAYQUXWFIHSAB-UHFFFAOYSA-N	N-(6-morpholin-4-ylpyridin-3-yl)prop-2-enamide
LDCM0635	HHS-465	139207991	SCHEMBL22558465; HHS-465	290.3	C12H10N4O3S	102	491	0.9	20	1	5	4	InChI=1S/C12H10N4O3S/c1-2-7-13-12(17)10-3-5-11(6-4-10)20(18,19)16-14-8-9-15-16/h1,3-6,8-9H,7H2,(H,13,17)	C#CCNC(=O)C1=CC=C(C=C1)S(=O)(=O)N2N=CC=N2	C#CCNC(=O)C1=CC=C(C=C1)S(=O)(=O)N2N=CC=N2	WNTFRPMXKGYXLC-UHFFFAOYSA-N	N-prop-2-ynyl-4-(triazol-2-ylsulfonyl)benzamide
LDCM0636	OPA-S-S-alkyne	.	.	406.529	C19H22N2O4S2	92.34	406.1020992	1.8813	27	2	6	13	InChI=1S/C19H22N2O4S2/c1-2-8-20-18(24)6-10-26-27-11-7-19(25)21-9-5-15-3-4-16(13-22)17(12-15)14-23/h1,3-4,12-14H,5-11H2,(H,20,24)(H,21,25)	C#CCNC(=O)CCSSCCC(=O)NCCc1ccc(C=O)c(C=O)c1	C#CCNC(=O)CCSSCCC(=O)NCCc1ccc(C=O)c(C=O)c1	XASRUOIPZKSSSH-UHFFFAOYSA-N	.
LDCM0637	Probe 1	.	.	200.094	C12H17BN2	28.15	200.1484789	4.10688	15	0	1	0	InChI=1S/C8H5N2.C4H12B/c1-2-7-4-3-5-8(6-7)10-9;1-5(2,3)4/h1,3-6H;1-4H3/q+1;-1	C#Cc1cccc([N+]#N)c1.C[B-](C)(C)C	C#Cc1cccc([N+]#N)c1.C[B-](C)(C)C	ZJASOBIVVBRWAV-UHFFFAOYSA-N	.
LDCM0638	EN884	132317544	.	230.311	C14H18N2O	33.2	230.1419132	2.0487	17	0	2	3	InChI=1S/C14H18N2O/c1-2-14(17)16-8-5-12(6-9-16)10-13-4-3-7-15-11-13/h2-4,7,11-12H,1,5-6,8-10H2	C=CC(=O)N1CCC(Cc2cccnc2)CC1	C=CC(=O)N1CCC(Cc2cccnc2)CC1	OUANOVWGPXFWFA-UHFFFAOYSA-N	.
LDCM0639	Ritanserin	.	.	477.58	C27H25F2N3OS	37.61	477.1686399	5.48302	34	0	5	5	InChI=1S/C27H25F2N3OS/c1-18-24(26(33)32-16-17-34-27(32)30-18)12-15-31-13-10-21(11-14-31)25(19-2-6-22(28)7-3-19)20-4-8-23(29)9-5-20/h2-9,16-17H,10-15H2,1H3	Cc1nc2sccn2c(=O)c1CCN1CCC(=C(c2ccc(F)cc2)c2ccc(F)cc2)CC1	Cc1nc2sccn2c(=O)c1CCN1CCC(=C(c2ccc(F)cc2)c2ccc(F)cc2)CC1	JUQLTPCYUFPYKE-UHFFFAOYSA-N	
LDCM0640	Ketanserin			395.434	C22H22FN3O3	75.17	395.1645198	2.4238	29	1	5	5	InChI=1S/C22H22FN3O3/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29)	O=C(c1ccc(F)cc1)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1	O=C(c1ccc(F)cc1)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1	FPCCSQOGAWCVBH-UHFFFAOYSA-N	
LDCM0641	Berberine	2253		371.82	C20H18ClNO4	40.8	371.0924357	0.1003	26	0	4	2	InChI=1S/C20H18NO4.ClH/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2;/h3-4,7-10H,5-6,11H2,1-2H3;1H/q+1;/p-1	COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2.[Cl-]	COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2.[Cl-]	VKJGBAJNNALVAV-UHFFFAOYSA-M	
LDCM0642	Oridonin	5321010		364.438	C20H28O6	107.22	364.1885886	0.3756	26	4	6	0	InChI=1S/C20H28O6/c1-9-10-4-5-11-18-8-26-20(25,19(11,14(9)22)15(10)23)16(24)13(18)17(2,3)7-6-12(18)21/h10-13,15-16,21,23-25H,1,4-8H2,2-3H3/t10-,11-,12-,13+,15+,16-,18+,19-,20+/m0/s1	C=C1C(=O)[C@]23[C@H](O)[C@H]1CC[C@H]2[C@@]12CO[C@]3(O)[C@@H](O)[C@@H]1C(C)(C)CC[C@@H]2O	C=C1C(=O)C23C(O)C1CCC2C12COC3(O)C(O)C1C(C)(C)CCC2O	SDHTXBWLVGWJFT-XKCURVIJSA-N	
LDCM0643	Nimbolide	.	.	466.53	C27H30O7	92.04	466.1991533	3.7431	34	0	7	3	InChI=1S/C27H30O7/c1-13-15(14-7-9-32-12-14)10-16-20(13)27(4)17(11-19(29)31-5)26(3)18(28)6-8-25(2)22(26)21(23(27)33-16)34-24(25)30/h6-9,12,15-17,21-23H,10-11H2,1-5H3/t15-,16-,17-,21-,22+,23-,25-,26+,27-/m1/s1	COC(=O)C[C@H]1[C@]2(C)C3=C(C)[C@H](c4ccoc4)C[C@H]3O[C@@H]2[C@@H]2OC(=O)[C@]3(C)C=CC(=O)[C@@]1(C)[C@@H]23	COC(=O)CC1C2(C)C3=C(C)C(c4ccoc4)CC3OC2C2OC(=O)C3(C)C=CC(=O)C1(C)C23	JZIQWNPPBKFOPT-LSYMHUITSA-N	.
LDCM0644	ABT-199	.	.	868.457	C45H50ClN7O7S	172.03	867.3180956	8.6599	61	3	11	13	InChI=1S/C45H50ClN7O7S/c1-45(2)15-11-33(39(26-45)31-3-5-34(46)6-4-31)29-51-17-19-52(20-18-51)35-7-9-38(42(24-35)60-36-23-32-12-16-47-43(32)49-28-36)44(54)50-61(57,58)37-8-10-40(41(25-37)53(55)56)48-27-30-13-21-59-22-14-30/h3-10,12,16,23-25,28,30,48H,11,13-15,17-22,26-27,29H2,1-2H3,(H,47,49)(H,50,54)	CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1	CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1	LQBVNQSMGBZMKD-UHFFFAOYSA-N	.
LDCM0645	RG7388	.	.	616.492	C31H29Cl2F2N3O4	111.45	615.1503182	6.93888	42	3	5	7	InChI=1S/C31H29Cl2F2N3O4/c1-30(2,3)14-24-31(15-36,19-10-9-17(32)13-21(19)34)25(18-6-5-7-20(33)26(18)35)27(38-24)28(39)37-22-11-8-16(29(40)41)12-23(22)42-4/h5-13,24-25,27,38H,14H2,1-4H3,(H,37,39)(H,40,41)/t24-,25-,27+,31-/m0/s1	COc1cc(C(=O)O)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@](C#N)(c2ccc(Cl)cc2F)[C@H]1c1cccc(Cl)c1F	COc1cc(C(=O)O)ccc1NC(=O)C1NC(CC(C)(C)C)C(C#N)(c2ccc(Cl)cc2F)C1c1cccc(Cl)c1F	TVTXCJFHQKSQQM-LJQIRTBHSA-N	.
LDCM0646	pepstatin	5478883	.	685.904	C34H63N5O9	223.26	685.4625786	1.4672	48	8	8	22	InChI=1S/C34H63N5O9/c1-17(2)12-23(37-33(47)31(21(9)10)39-34(48)30(20(7)8)38-27(42)14-19(5)6)25(40)15-28(43)35-22(11)32(46)36-24(13-18(3)4)26(41)16-29(44)45/h17-26,30-31,40-41H,12-16H2,1-11H3,(H,35,43)(H,36,46)(H,37,47)(H,38,42)(H,39,48)(H,44,45)/t22-,23-,24-,25-,26-,30-,31-/m0/s1	CC(C)CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)O)C(C)C)C(C)C	CC(C)CC(=O)NC(C(=O)NC(C(=O)NC(CC(C)C)C(O)CC(=O)NC(C)C(=O)NC(CC(C)C)C(O)CC(=O)O)C(C)C)C(C)C	FAXGPCHRFPCXOO-LXTPJMTPSA-N	.
LDCM0647	cp20	126609806	.	284.34	C15H12N2O2S	55.13	284.0619486	3.0465	20	2	4	3	InChI=1S/C15H12N2O2S/c18-15(17-9-12-4-2-6-19-12)11-7-10-3-1-5-13(20)14(10)16-8-11/h1-8,20H,9H2,(H,17,18)	O=C(NCc1ccco1)c1cnc2c(S)cccc2c1	O=C(NCc1ccco1)c1cnc2c(S)cccc2c1	VRAJMQWHIOOSLH-UHFFFAOYSA-N	.
LDCM0648	sp600125	8515	.	220.231	C14H8N2O	45.75	220.0636629	2.7743	17	1	2	0	InChI=1S/C14H8N2O/c17-14-9-5-2-1-4-8(9)13-12-10(14)6-3-7-11(12)15-16-13/h1-7H,(H,15,16)	O=C1c2ccccc2-c2n[nH]c3cccc1c23	O=C1c2ccccc2-c2n[nH]c3cccc1c23	ACPOUJIDANTYHO-UHFFFAOYSA-N	.
LDCM0649	Spermidine	1102	.	145.25	C7H19N3	64.07	145.1578976	-0.3363	10	3	3	7	InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2	NCCCCNCCCN	NCCCCNCCCN	ATHGHQPFGPMSJY-UHFFFAOYSA-N	.
LDCM0650	Spermimic	.	.	156.273	C9H20N2	38.05	156.1626486	1.2575	11	2	2	4	InChI=1S/C9H20N2/c10-7-4-8-11-9-5-2-1-3-6-9/h9,11H,1-8,10H2	NCCCNC1CCCCC1	NCCCNC1CCCCC1	ITZPOSYADVYECJ-UHFFFAOYSA-N	.
LDCM0651	Celastrol	.	.	436.592	C28H36O4	74.6	436.2613596	6.3076	32	2	3	1	InChI=1S/C28H36O4/c1-16-18-6-7-21-26(3,19(18)15-20(29)23(16)30)11-13-28(5)22-14-17(24(31)32)8-9-25(22,2)10-12-27(21,28)4/h6-7,15,17,22,30H,8-14H2,1-5H3,(H,31,32)/t17?,22-,25-,26+,27-,28+/m1/s1	CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]2(C)CC[C@@]2(C)[C@@H]3CC(C(=O)O)CC[C@]3(C)CC[C@]12C	CC1=C(O)C(=O)C=C2C1=CC=C1C2(C)CCC2(C)C3CC(C(=O)O)CCC3(C)CCC12C	WNCVCMKJUFWTFA-GACQEXEBSA-N	.
LDCM0652	pelitinib	6445562	.	467.932	C24H23ClFN5O2	90.28	467.1524309	5.09758	33	2	6	8	InChI=1S/C24H23ClFN5O2/c1-4-33-22-12-20-17(11-21(22)30-23(32)6-5-9-31(2)3)24(15(13-27)14-28-20)29-16-7-8-19(26)18(25)10-16/h5-8,10-12,14H,4,9H2,1-3H3,(H,28,29)(H,30,32)/b6-5+	CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C=C/CN(C)C	CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN(C)C	WVUNYSQLFKLYNI-AATRIKPKSA-N	.
LDCM0653	sotorasib	137278711	.	560.605	C30H30F2N6O3	104.45	560.2347453	4.48142	41	1	8	5	InChI=1S/C30H30F2N6O3/c1-6-23(40)36-12-13-37(18(5)15-36)28-19-14-21(32)26(24-20(31)8-7-9-22(24)39)34-29(19)38(30(41)35-28)27-17(4)10-11-33-25(27)16(2)3/h6-11,14,16,18,39H,1,12-13,15H2,2-5H3/t18-/m0/s1	C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1	C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)C(C)C1	NXQKSXLFSAEQCZ-SFHVURJKSA-N	.
LDCM0654	MPP	138378	.	160.172	C10H8O2	26.3	160.0524295	1.2111	12	0	2	0	InChI=1S/C10H8O2/c1-12-10(11)8-7-9-5-3-2-4-6-9/h2-6H,1H3	COC(=O)C#Cc1ccccc1	COC(=O)C#Cc1ccccc1	JFGWPXKGINUNDH-UHFFFAOYSA-N	.
LDCM0655	MC	637520	.	162.188	C10H10O2	26.3	162.0680796	1.8728	12	0	2	2	InChI=1S/C10H10O2/c1-12-10(11)8-7-9-5-3-2-4-6-9/h2-8H,1H3/b8-7+	COC(=O)/C=C/c1ccccc1	COC(=O)C=Cc1ccccc1	CCRCUPLGCSFEDV-BQYQJAHWSA-N	.
LDCM0656	AF-11010- 66	.	.	286.335	C15H18N4O2	85.23	286.1429758	0.01688	21	2	4	6	InChI=1S/C15H18N4O2/c16-11-19-9-13(10-19)18-14(20)6-7-17-15(21)8-12-4-2-1-3-5-12/h1-5,13H,6-10H2,(H,17,21)(H,18,20)	N#CN1CC(NC(=O)CCNC(=O)Cc2ccccc2)C1	N#CN1CC(NC(=O)CCNC(=O)Cc2ccccc2)C1	ORYQYZAEFYELOK-UHFFFAOYSA-N	.
LDCM0657	AF-11010-82	.	.	330.388	C17H22N4O3	94.46	330.1691906	0.41558	24	2	5	7	InChI=1S/C17H22N4O3/c1-24-15-5-3-2-4-13(15)10-17(23)19-8-6-16(22)20-14-7-9-21(11-14)12-18/h2-5,14H,6-11H2,1H3,(H,19,23)(H,20,22)/t14-/m0/s1	COc1ccccc1CC(=O)NCCC(=O)N[C@H]1CCN(C#N)C1	COc1ccccc1CC(=O)NCCC(=O)NC1CCN(C#N)C1	TZINNDOMOXEKOT-AWEZNQCLSA-N	.
LDCM0658	AF-11010-83	.	.	330.388	C17H22N4O3	94.46	330.1691906	0.41558	24	2	5	7	InChI=1S/C17H22N4O3/c1-24-15-4-2-3-13(9-15)10-17(23)19-7-5-16(22)20-14-6-8-21(11-14)12-18/h2-4,9,14H,5-8,10-11H2,1H3,(H,19,23)(H,20,22)/t14-/m0/s1	COc1cccc(CC(=O)NCCC(=O)N[C@H]2CCN(C#N)C2)c1	COc1cccc(CC(=O)NCCC(=O)NC2CCN(C#N)C2)c1	BPHZWZQIJNTDSA-AWEZNQCLSA-N	.
LDCM0659	AF-11010-84	.	.	334.807	C16H19ClN4O2	85.23	334.1196535	1.06038	23	2	4	6	InChI=1S/C16H19ClN4O2/c17-13-3-1-12(2-4-13)9-16(23)19-7-5-15(22)20-14-6-8-21(10-14)11-18/h1-4,14H,5-10H2,(H,19,23)(H,20,22)/t14-/m0/s1	N#CN1CC[C@H](NC(=O)CCNC(=O)Cc2ccc(Cl)cc2)C1	N#CN1CCC(NC(=O)CCNC(=O)Cc2ccc(Cl)cc2)C1	YBSGOKJZCZEDRW-AWEZNQCLSA-N	.
LDCM0660	AF-11010-105	.	.	314.389	C17H22N4O2	85.23	314.1742759	0.79708	23	2	4	6	InChI=1S/C17H22N4O2/c18-13-21-10-4-7-15(12-21)20-16(22)8-9-19-17(23)11-14-5-2-1-3-6-14/h1-3,5-6,15H,4,7-12H2,(H,19,23)(H,20,22)/t15-/m0/s1	N#CN1CCC[C@H](NC(=O)CCNC(=O)Cc2ccccc2)C1	N#CN1CCCC(NC(=O)CCNC(=O)Cc2ccccc2)C1	CUTBSHLBXDQRLA-HNNXBMFYSA-N	.
LDCM0661	AF-11010-104	.	.	314.389	C17H22N4O2	85.23	314.1742759	0.79708	23	2	4	6	InChI=1S/C17H22N4O2/c18-13-21-10-7-15(8-11-21)20-16(22)6-9-19-17(23)12-14-4-2-1-3-5-14/h1-5,15H,6-12H2,(H,19,23)(H,20,22)	N#CN1CCC(NC(=O)CCNC(=O)Cc2ccccc2)CC1	N#CN1CCC(NC(=O)CCNC(=O)Cc2ccccc2)CC1	WXLFNOPPTVLCGX-UHFFFAOYSA-N	.
LDCM0662	AF-11010-112	.	.	365.455	C17H23N3O4S	95.58	365.1409272	0.3992	25	2	4	8	InChI=1S/C17H23N3O4S/c1-2-25(23,24)20-11-9-15(13-20)19-16(21)8-10-18-17(22)12-14-6-4-3-5-7-14/h2-7,15H,1,8-13H2,(H,18,22)(H,19,21)/t15-/m0/s1	C=CS(=O)(=O)N1CC[C@H](NC(=O)CCNC(=O)Cc2ccccc2)C1	C=CS(=O)(=O)N1CCC(NC(=O)CCNC(=O)Cc2ccccc2)C1	HZNIQSOGZPOABM-HNNXBMFYSA-N	.
LDCM0663	AF124	.	.	369.252	C16H18Cl2N4O2	85.23	368.0806812	1.71378	24	2	4	6	InChI=1S/C16H18Cl2N4O2/c17-13-2-1-11(7-14(13)18)8-16(24)20-5-3-15(23)21-12-4-6-22(9-12)10-19/h1-2,7,12H,3-6,8-9H2,(H,20,24)(H,21,23)/t12-/m0/s1	N#CN1CC[C@H](NC(=O)CCNC(=O)Cc2ccc(Cl)c(Cl)c2)C1	N#CN1CCC(NC(=O)CCNC(=O)Cc2ccc(Cl)c(Cl)c2)C1	OEZQYDZQOQVDGX-LBPRGKRZSA-N	.
LDCM0664	AF125	.	.	314.389	C17H22N4O2	85.23	314.1742759	0.96798	23	2	4	6	InChI=1S/C17H22N4O2/c1-13(14-5-3-2-4-6-14)17(23)19-9-7-16(22)20-15-8-10-21(11-15)12-18/h2-6,13,15H,7-11H2,1H3,(H,19,23)(H,20,22)/t13-,15+/m1/s1	C[C@@H](C(=O)NCCC(=O)N[C@H]1CCN(C#N)C1)c1ccccc1	CC(C(=O)NCCC(=O)NC1CCN(C#N)C1)c1ccccc1	DPYPLONPPDAPQV-HIFRSBDPSA-N	.
LDCM0665	AF131	.	.	334.807	C16H19ClN4O2	85.23	334.1196535	1.06038	23	2	4	6	InChI=1S/C16H19ClN4O2/c17-13-3-1-2-12(8-13)9-16(23)19-6-4-15(22)20-14-5-7-21(10-14)11-18/h1-3,8,14H,4-7,9-10H2,(H,19,23)(H,20,22)/t14-/m0/s1	N#CN1CC[C@H](NC(=O)CCNC(=O)Cc2cccc(Cl)c2)C1	N#CN1CCC(NC(=O)CCNC(=O)Cc2cccc(Cl)c2)C1	VPTUEJUYEMUGDU-AWEZNQCLSA-N	.
LDCM0666	AF132	.	.	314.389	C17H22N4O2	85.23	314.1742759	0.96798	23	2	4	6	InChI=1S/C17H22N4O2/c1-13(14-5-3-2-4-6-14)17(23)19-9-7-16(22)20-15-8-10-21(11-15)12-18/h2-6,13,15H,7-11H2,1H3,(H,19,23)(H,20,22)/t13-,15-/m0/s1	C[C@H](C(=O)NCCC(=O)N[C@H]1CCN(C#N)C1)c1ccccc1	CC(C(=O)NCCC(=O)NC1CCN(C#N)C1)c1ccccc1	DPYPLONPPDAPQV-ZFWWWQNUSA-N	.
LDCM0667	AF137	.	.	300.362	C16H20N4O2	85.23	300.1586259	0.75458	22	2	4	6	InChI=1S/C16H20N4O2/c17-12-20-9-8-14(11-20)19-16(22)7-6-15(21)18-10-13-4-2-1-3-5-13/h1-5,14H,6-11H2,(H,18,21)(H,19,22)/t14-/m0/s1	N#CN1CC[C@H](NC(=O)CCC(=O)NCc2ccccc2)C1	N#CN1CCC(NC(=O)CCC(=O)NCc2ccccc2)C1	XEZPCQJALMXSCC-AWEZNQCLSA-N	.
LDCM0668	AF138	.	.	314.389	C17H22N4O2	85.23	314.1742759	0.79548	23	2	4	6	InChI=1S/C17H22N4O2/c1-13(19-17(23)10-14-5-3-2-4-6-14)9-16(22)20-15-7-8-21(11-15)12-18/h2-6,13,15H,7-11H2,1H3,(H,19,23)(H,20,22)/t13?,15-/m0/s1	CC(CC(=O)N[C@H]1CCN(C#N)C1)NC(=O)Cc1ccccc1	CC(CC(=O)NC1CCN(C#N)C1)NC(=O)Cc1ccccc1	FEGJESFSECPBIT-WUJWULDRSA-N	.
LDCM0669	AV12	.	.	290.75	C15H15ClN2O2	51.1	290.0822054	2.3766	20	1	3	5	InChI=1S/C15H15ClN2O2/c1-18-10-12(14(19)8-16)7-13(18)15(20)17-9-11-5-3-2-4-6-11/h2-7,10H,8-9H2,1H3,(H,17,20)	Cn1cc(C(=O)CCl)cc1C(=O)NCc1ccccc1	Cn1cc(C(=O)CCl)cc1C(=O)NCc1ccccc1	SBIVFYBGMVTPHM-UHFFFAOYSA-N	.
LDCM0670	AV46	.	.	411.27	C16H12Cl2N4O3S	97.98	410.0007166	3.9144	26	1	6	6	InChI=1S/C16H12Cl2N4O3S/c1-2-26(23,24)22-14-6-4-11(9-19-14)16-20-15(25-21-16)8-10-3-5-12(17)13(18)7-10/h2-7,9H,1,8H2,(H,19,22)	C=CS(=O)(=O)Nc1ccc(-c2noc(Cc3ccc(Cl)c(Cl)c3)n2)cn1	C=CS(=O)(=O)Nc1ccc(-c2noc(Cc3ccc(Cl)c(Cl)c3)n2)cn1	QFHKPQIFVGDBBI-UHFFFAOYSA-N	.
LDCM0671	ED17	.	.	360.816	C19H18ClFN2O2	49.41	360.1040837	3.2737	25	1	2	4	InChI=1S/C19H18ClFN2O2/c20-11-18(24)23-9-1-2-14-10-15(5-8-17(14)23)19(25)22-12-13-3-6-16(21)7-4-13/h3-8,10H,1-2,9,11-12H2,(H,22,25)	O=C(NCc1ccc(F)cc1)c1ccc2c(c1)CCCN2C(=O)CCl	O=C(NCc1ccc(F)cc1)c1ccc2c(c1)CCCN2C(=O)CCl	KRNMFGKCLQYJNJ-UHFFFAOYSA-N	.
LDCM0672	AC19	.	.	342.826	C19H19ClN2O2	49.41	342.1135055	3.1346	24	1	2	4	InChI=1S/C19H19ClN2O2/c20-12-18(23)22-10-4-7-15-11-16(8-9-17(15)22)19(24)21-13-14-5-2-1-3-6-14/h1-3,5-6,8-9,11H,4,7,10,12-13H2,(H,21,24)	O=C(NCc1ccccc1)c1ccc2c(c1)CCCN2C(=O)CCl	O=C(NCc1ccccc1)c1ccc2c(c1)CCCN2C(=O)CCl	UDFFUOCWFOFARF-UHFFFAOYSA-N	.
LDCM0673	AV16	.	.	711.264	C35H47ClN8O6	162.11	710.3307089	1.6863	50	3	11	14	InChI=1S/C35H47ClN8O6/c1-40-15-17-42(18-16-40)12-8-31(46)39-26-6-7-27-28(20-26)38-24-44(34(27)49)23-35(50)9-13-43(14-10-35)32(47)5-3-4-11-37-33(48)29-19-25(22-41(29)2)30(45)21-36/h6-7,19-20,22,24,50H,3-5,8-18,21,23H2,1-2H3,(H,37,48)(H,39,46)	CN1CCN(CCC(=O)Nc2ccc3c(=O)n(CC4(O)CCN(C(=O)CCCCNC(=O)c5cc(C(=O)CCl)cn5C)CC4)cnc3c2)CC1	CN1CCN(CCC(=O)Nc2ccc3c(=O)n(CC4(O)CCN(C(=O)CCCCNC(=O)c5cc(C(=O)CCl)cn5C)CC4)cnc3c2)CC1	JGRCBBXLMNXAJW-UHFFFAOYSA-N	.
LDCM0674	ED18	.	.	374.437	C19H19FN2O3S	66.48	374.1100417	2.9816	26	1	3	5	InChI=1S/C19H19FN2O3S/c1-2-26(24,25)22-11-3-4-15-12-16(7-10-18(15)22)19(23)21-13-14-5-8-17(20)9-6-14/h2,5-10,12H,1,3-4,11,13H2,(H,21,23)	C=CS(=O)(=O)N1CCCc2cc(C(=O)NCc3ccc(F)cc3)ccc21	C=CS(=O)(=O)N1CCCc2cc(C(=O)NCc3ccc(F)cc3)ccc21	PUWGMEDSZQWRHR-UHFFFAOYSA-N	.
LDCM0675	ED27	.	.	385.876	C19H16ClN3O2S	62.3	385.0651754	4.0666	26	1	4	3	InChI=1S/C19H16ClN3O2S/c20-11-17(24)23-9-3-4-12-10-13(7-8-15(12)23)18(25)22-19-21-14-5-1-2-6-16(14)26-19/h1-2,5-8,10H,3-4,9,11H2,(H,21,22,25)	O=C(Nc1nc2ccccc2s1)c1ccc2c(c1)CCCN2C(=O)CCl	O=C(Nc1nc2ccccc2s1)c1ccc2c(c1)CCCN2C(=O)CCl	PJVOXZBRAKLEBC-UHFFFAOYSA-N	.
LDCM0676	ED30	.	.	411.914	C21H18ClN3O2S	62.3	411.0808255	4.5804	28	1	4	4	InChI=1S/C21H18ClN3O2S/c22-12-19(26)25-10-4-7-15-11-16(8-9-17(15)25)20(27)24-21-23-13-18(28-21)14-5-2-1-3-6-14/h1-3,5-6,8-9,11,13H,4,7,10,12H2,(H,23,24,27)	O=C(Nc1ncc(-c2ccccc2)s1)c1ccc2c(c1)CCCN2C(=O)CCl	O=C(Nc1ncc(-c2ccccc2)s1)c1ccc2c(c1)CCCN2C(=O)CCl	GCUDFELCTSGWFD-UHFFFAOYSA-N	.
LDCM0677	F21	.	.	298.371	C15H14N4OS	69.02	298.0888321	2.55158	21	1	5	3	InChI=1S/C15H14N4OS/c16-10-19-7-6-12(9-19)14(20)18-15-17-8-13(21-15)11-4-2-1-3-5-11/h1-5,8,12H,6-7,9H2,(H,17,18,20)/t12-/m0/s1	N#CN1CC[C@H](C(=O)Nc2ncc(-c3ccccc3)s2)C1	N#CN1CCC(C(=O)Nc2ncc(-c3ccccc3)s2)C1	DPOQOSJMDTZFOR-LBPRGKRZSA-N	.
LDCM0678	WH-189	.	.	300.362	C16H20N4O2	85.23	300.1586259	0.40698	22	2	4	6	InChI=1S/C16H20N4O2/c17-12-20-9-7-14(11-20)19-15(21)6-8-18-16(22)10-13-4-2-1-3-5-13/h1-5,14H,6-11H2,(H,18,22)(H,19,21)/t14-/m0/s1	N#CN1CC[C@H](NC(=O)CCNC(=O)Cc2ccccc2)C1	N#CN1CCC(NC(=O)CCNC(=O)Cc2ccccc2)C1	YDUSABZWGYBOLZ-AWEZNQCLSA-N	.
LDCM0679	XL041	.	.	771.363	C41H51ClN8O5	153	770.3670944	4.0067	55	3	10	12	InChI=1S/C41H51ClN8O5/c1-47-20-22-48(23-21-47)17-13-36(51)45-29-10-12-32-34(25-29)44-27-50(40(32)54)26-41(55)14-18-49(19-15-41)37(52)8-4-5-16-43-39(53)28-9-11-31-35(24-28)46-33-7-3-2-6-30(33)38(31)42/h9-12,24-25,27,55H,2-8,13-23,26H2,1H3,(H,43,53)(H,45,51)	CN1CCN(CCC(=O)Nc2ccc3c(=O)n(CC4(O)CCN(C(=O)CCCCNC(=O)c5ccc6c(Cl)c7c(nc6c5)CCCC7)CC4)cnc3c2)CC1	CN1CCN(CCC(=O)Nc2ccc3c(=O)n(CC4(O)CCN(C(=O)CCCCNC(=O)c5ccc6c(Cl)c7c(nc6c5)CCCC7)CC4)cnc3c2)CC1	KMAZVJXGDZCRRI-UHFFFAOYSA-N	.
LDCM0680	F22	.	.	295.346	C16H17N5O	73.95	295.1433102	1.67288	22	1	5	4	InChI=1S/C16H17N5O/c17-11-20-7-6-14(9-20)16(22)19-15-10-21(12-18-15)8-13-4-2-1-3-5-13/h1-5,10,12,14H,6-9H2,(H,19,22)	N#CN1CCC(C(=O)Nc2cn(Cc3ccccc3)cn2)C1	N#CN1CCC(C(=O)Nc2cn(Cc3ccccc3)cn2)C1	SZHUYGLQCAIUAC-UHFFFAOYSA-N	.
LDCM0681	F68	.	.	309.373	C17H19N5O	73.95	309.1589602	2.06298	23	1	5	4	InChI=1S/C17H19N5O/c18-12-21-8-4-7-15(10-21)17(23)20-16-11-22(13-19-16)9-14-5-2-1-3-6-14/h1-3,5-6,11,13,15H,4,7-10H2,(H,20,23)/t15-/m0/s1	N#CN1CCC[C@H](C(=O)Nc2cn(Cc3ccccc3)cn2)C1	N#CN1CCCC(C(=O)Nc2cn(Cc3ccccc3)cn2)C1	WLXFVKSSZWNPNW-HNNXBMFYSA-N	.
LDCM0682	F70	.	.	367.434	C18H17N5O2S	95.05	367.1102958	3.30962	26	1	7	3	InChI=1S/C18H17N5O2S/c1-10-16(11(2)25-22-10)12-3-4-14-15(7-12)26-18(20-14)21-17(24)13-5-6-23(8-13)9-19/h3-4,7,13H,5-6,8H2,1-2H3,(H,20,21,24)/t13-/m0/s1	Cc1noc(C)c1-c1ccc2nc(NC(=O)[C@H]3CCN(C#N)C3)sc2c1	Cc1noc(C)c1-c1ccc2nc(NC(=O)C3CCN(C#N)C3)sc2c1	CATDKEATHRRIOI-ZDUSSCGKSA-N	.
LDCM0683	F78	.	.	352.423	C17H16N6OS	96.91	352.1106301	2.29348	25	0	7	3	InChI=1S/C17H16N6OS/c1-11-15(13-6-3-5-12(9-18)20-13)21-17(25-11)22(2)16(24)14-7-4-8-23(14)10-19/h3,5-6,14H,4,7-8H2,1-2H3/t14-/m0/s1	Cc1sc(N(C)C(=O)[C@@H]2CCCN2C#N)nc1-c1cccc(C#N)n1	Cc1sc(N(C)C(=O)C2CCCN2C#N)nc1-c1cccc(C#N)n1	HHRMQBUASZODPH-AWEZNQCLSA-N	.
LDCM0684	XL_10320_54A	.	.	408.889	C22H21ClN4O2	67.23	408.1353036	3.7017	29	1	4	5	InChI=1S/C22H21ClN4O2/c23-12-21(28)27-10-4-7-17-11-18(8-9-19(17)27)22(29)25-20-14-26(15-24-20)13-16-5-2-1-3-6-16/h1-3,5-6,8-9,11,14-15H,4,7,10,12-13H2,(H,25,29)	O=C(Nc1cn(Cc2ccccc2)cn1)c1ccc2c(c1)CCCN2C(=O)CCl	O=C(Nc1cn(Cc2ccccc2)cn1)c1ccc2c(c1)CCCN2C(=O)CCl	IUALRHDASSHKOG-UHFFFAOYSA-N	.
LDCM0685	YM155	.	.	349.37	C19H17N4O3+	77.96	349.1295168	1.0357	26	0	6	5	InChI=1S/C19H17N4O3/c1-26-9-8-22-12-23(11-13-10-20-6-7-21-13)17-16(22)18(24)14-4-2-3-5-15(14)19(17)25/h2-7,10,12H,8-9,11H2,1H3/q+1	COCCn1c[n+](Cc2cnccn2)c2c1C(=O)c1ccccc1C2=O	COCCn1c[n+](Cc2cnccn2)c2c1C(=O)c1ccccc1C2=O	XPNRNKKWJMKPIX-UHFFFAOYSA-N	.
LDCM0686	WH_9943_094	.	.	243.291	C12H9N3OS	65.78	243.0466329	2.08228	17	1	4	2	InChI=1S/C12H9N3OS/c13-7-12(5-6-12)15-10(16)11-14-8-3-1-2-4-9(8)17-11/h1-4H,5-6H2,(H,15,16)	N#CC1(NC(=O)c2nc3ccccc3s2)CC1	N#CC1(NC(=O)c2nc3ccccc3s2)CC1	YHISYOVBBDMNHZ-UHFFFAOYSA-N	.
LDCM0687	WH_9943_98A	.	.	186.214	C11H10N2O	52.89	186.0793129	1.47258	14	1	2	2	InChI=1S/C11H10N2O/c12-8-11(6-7-11)13-10(14)9-4-2-1-3-5-9/h1-5H,6-7H2,(H,13,14)	N#CC1(NC(=O)c2ccccc2)CC1	N#CC1(NC(=O)c2ccccc2)CC1	GAAPJYLHXSCYMY-UHFFFAOYSA-N	.
LDCM0688	WH_9943_98B	.	.	200.241	C12H12N2O	52.89	200.094963	1.40148	15	1	2	3	InChI=1S/C12H12N2O/c13-9-12(6-7-12)14-11(15)8-10-4-2-1-3-5-10/h1-5H,6-8H2,(H,14,15)	N#CC1(NC(=O)Cc2ccccc2)CC1	N#CC1(NC(=O)Cc2ccccc2)CC1	NDFKPXBDDNXCCX-UHFFFAOYSA-N	.
LDCM0689	WH_9943_102A	.	.	272.333	C13H12N4OS	69.02	272.073182	1.43898	19	1	5	3	InChI=1S/C13H12N4OS/c14-8-17-6-9(7-17)5-15-12(18)13-16-10-3-1-2-4-11(10)19-13/h1-4,9H,5-7H2,(H,15,18)	N#CN1CC(CNC(=O)c2nc3ccccc3s2)C1	N#CN1CC(CNC(=O)c2nc3ccccc3s2)C1	CRRPSWYSKMFWPL-UHFFFAOYSA-N	.
LDCM0690	WH_9943_103B	.	.	244.294	C14H16N2O2	49.41	244.1211778	1.0608	18	1	2	4	InChI=1S/C14H16N2O2/c1-2-13(17)16-9-11(10-16)8-15-14(18)12-6-4-3-5-7-12/h2-7,11H,1,8-10H2,(H,15,18)	C=CC(=O)N1CC(CNC(=O)c2ccccc2)C1	C=CC(=O)N1CC(CNC(=O)c2ccccc2)C1	XJCDDMIQQJMTKG-UHFFFAOYSA-N	.
LDCM0691	WH_9943_103C	.	.	266.728	C13H15ClN2O2	49.41	266.0822054	1.1136	18	1	2	4	InChI=1S/C13H15ClN2O2/c14-6-12(17)16-8-10(9-16)7-15-13(18)11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H,15,18)	O=C(NCC1CN(C(=O)CCl)C1)c1ccccc1	O=C(NCC1CN(C(=O)CCl)C1)c1ccccc1	RQEMMXHBGJRTSD-UHFFFAOYSA-N	.
LDCM0692	WH_9943_104B	.	.	258.321	C15H18N2O2	49.41	258.1368278	0.9897	19	1	2	5	InChI=1S/C15H18N2O2/c1-2-15(19)17-10-13(11-17)9-16-14(18)8-12-6-4-3-5-7-12/h2-7,13H,1,8-11H2,(H,16,18)	C=CC(=O)N1CC(CNC(=O)Cc2ccccc2)C1	C=CC(=O)N1CC(CNC(=O)Cc2ccccc2)C1	ODBMSCBFUNDKLQ-UHFFFAOYSA-N	.
LDCM0693	WH_9943_105A	.	.	272.333	C13H12N4OS	69.02	272.073182	1.58148	19	1	5	2	InChI=1S/C13H12N4OS/c14-8-17-6-5-9(7-17)15-12(18)13-16-10-3-1-2-4-11(10)19-13/h1-4,9H,5-7H2,(H,15,18)/t9-/m0/s1	N#CN1CC[C@H](NC(=O)c2nc3ccccc3s2)C1	N#CN1CCC(NC(=O)c2nc3ccccc3s2)C1	VBPWBOZBOAVJSZ-VIFPVBQESA-N	.
LDCM0694	WH_9943_105C	.	.	323.805	C14H14ClN3O2S	62.3	323.0495254	1.8658	21	1	4	3	InChI=1S/C14H14ClN3O2S/c15-7-12(19)18-6-5-9(8-18)16-13(20)14-17-10-3-1-2-4-11(10)21-14/h1-4,9H,5-8H2,(H,16,20)/t9-/m0/s1	O=C(N[C@H]1CCN(C(=O)CCl)C1)c1nc2ccccc2s1	O=C(NC1CCN(C(=O)CCl)C1)c1nc2ccccc2s1	YUNAVPXWOTWPTF-VIFPVBQESA-N	.
LDCM0695	WH_9943_107B	.	.	244.294	C14H16N2O2	49.41	244.1211778	1.2033	18	1	2	3	InChI=1S/C14H16N2O2/c1-2-13(17)16-9-8-12(10-16)15-14(18)11-6-4-3-5-7-11/h2-7,12H,1,8-10H2,(H,15,18)/t12-/m0/s1	C=CC(=O)N1CC[C@H](NC(=O)c2ccccc2)C1	C=CC(=O)N1CCC(NC(=O)c2ccccc2)C1	RNQGVBGKKMJHLZ-LBPRGKRZSA-N	.
LDCM0696	WH_9943_107C	.	.	266.728	C13H15ClN2O2	49.41	266.0822054	1.2561	18	1	2	3	InChI=1S/C13H15ClN2O2/c14-8-12(17)16-7-6-11(9-16)15-13(18)10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,15,18)/t11-/m0/s1	O=C(N[C@H]1CCN(C(=O)CCl)C1)c1ccccc1	O=C(NC1CCN(C(=O)CCl)C1)c1ccccc1	NHHSZQWKJSJKFI-NSHDSACASA-N	.
LDCM0697	WH_9943_108A	.	.	229.283	C13H15N3O	56.13	229.1215121	0.90068	17	1	3	3	InChI=1S/C13H15N3O/c14-10-16-7-6-12(9-16)15-13(17)8-11-4-2-1-3-5-11/h1-5,12H,6-9H2,(H,15,17)/t12-/m0/s1	N#CN1CC[C@H](NC(=O)Cc2ccccc2)C1	N#CN1CCC(NC(=O)Cc2ccccc2)C1	WVMVLULZYCZUEL-LBPRGKRZSA-N	.
LDCM0698	WH_9943_108B	.	.	258.321	C15H18N2O2	49.41	258.1368278	1.1322	19	1	2	4	InChI=1S/C15H18N2O2/c1-2-15(19)17-9-8-13(11-17)16-14(18)10-12-6-4-3-5-7-12/h2-7,13H,1,8-11H2,(H,16,18)/t13-/m0/s1	C=CC(=O)N1CC[C@H](NC(=O)Cc2ccccc2)C1	C=CC(=O)N1CCC(NC(=O)Cc2ccccc2)C1	XZIVEXZVGSRNNJ-ZDUSSCGKSA-N	.
LDCM0699	WH_9943_118A	.	.	277.327	C17H15N3O	56.13	277.1215121	2.71138	21	1	3	3	InChI=1S/C17H15N3O/c18-12-20-9-8-14-11-15(6-7-16(14)20)19-17(21)10-13-4-2-1-3-5-13/h1-7,11H,8-10H2,(H,19,21)	N#CN1CCc2cc(NC(=O)Cc3ccccc3)ccc21	N#CN1CCc2cc(NC(=O)Cc3ccccc3)ccc21	LAWXCDDEOWGARM-UHFFFAOYSA-N	.
LDCM0700	WH_9943_118B	.	.	306.365	C19H18N2O2	49.41	306.1368278	2.9429	23	1	2	4	InChI=1S/C19H18N2O2/c1-2-19(23)21-11-10-15-13-16(8-9-17(15)21)20-18(22)12-14-6-4-3-5-7-14/h2-9,13H,1,10-12H2,(H,20,22)	C=CC(=O)N1CCc2cc(NC(=O)Cc3ccccc3)ccc21	C=CC(=O)N1CCc2cc(NC(=O)Cc3ccccc3)ccc21	WQVBHPNRXZSURD-UHFFFAOYSA-N	.
LDCM0701	WH_9943_118C	.	.	328.799	C18H17ClN2O2	49.41	328.0978555	2.9957	23	1	2	4	InChI=1S/C18H17ClN2O2/c19-12-18(23)21-9-8-14-11-15(6-7-16(14)21)20-17(22)10-13-4-2-1-3-5-13/h1-7,11H,8-10,12H2,(H,20,22)	O=C(Cc1ccccc1)Nc1ccc2c(c1)CCN2C(=O)CCl	O=C(Cc1ccccc1)Nc1ccc2c(c1)CCN2C(=O)CCl	IBDLBOGQLXNPIR-UHFFFAOYSA-N	.
LDCM0702	WH_9943_119A	.	.	263.3	C16H13N3O	56.13	263.105862	2.78248	20	1	3	2	InChI=1S/C16H13N3O/c17-11-19-9-8-13-10-14(6-7-15(13)19)18-16(20)12-4-2-1-3-5-12/h1-7,10H,8-9H2,(H,18,20)	N#CN1CCc2cc(NC(=O)c3ccccc3)ccc21	N#CN1CCc2cc(NC(=O)c3ccccc3)ccc21	LHKOJEIOCZJJQL-UHFFFAOYSA-N	.
LDCM0703	WH_9943_119B	.	.	292.338	C18H16N2O2	49.41	292.1211778	3.014	22	1	2	3	InChI=1S/C18H16N2O2/c1-2-17(21)20-11-10-14-12-15(8-9-16(14)20)19-18(22)13-6-4-3-5-7-13/h2-9,12H,1,10-11H2,(H,19,22)	C=CC(=O)N1CCc2cc(NC(=O)c3ccccc3)ccc21	C=CC(=O)N1CCc2cc(NC(=O)c3ccccc3)ccc21	FGTVBTBRWWFUBD-UHFFFAOYSA-N	.
LDCM0704	WH_9943_120A	.	.	320.377	C17H12N4OS	69.02	320.073182	3.39218	23	1	5	2	InChI=1S/C17H12N4OS/c18-10-21-8-7-11-9-12(5-6-14(11)21)19-16(22)17-20-13-3-1-2-4-15(13)23-17/h1-6,9H,7-8H2,(H,19,22)	N#CN1CCc2cc(NC(=O)c3nc4ccccc4s3)ccc21	N#CN1CCc2cc(NC(=O)c3nc4ccccc4s3)ccc21	XVCURNJRZPTROS-UHFFFAOYSA-N	.
LDCM0705	WH_9943_120B	.	.	349.415	C19H15N3O2S	62.3	349.0884977	3.6237	25	1	4	3	InChI=1S/C19H15N3O2S/c1-2-17(23)22-10-9-12-11-13(7-8-15(12)22)20-18(24)19-21-14-5-3-4-6-16(14)25-19/h2-8,11H,1,9-10H2,(H,20,24)	C=CC(=O)N1CCc2cc(NC(=O)c3nc4ccccc4s3)ccc21	C=CC(=O)N1CCc2cc(NC(=O)c3nc4ccccc4s3)ccc21	BWOKKNUNHMRFOE-UHFFFAOYSA-N	.
LDCM0706	WH_9943_120C	.	.	371.849	C18H14ClN3O2S	62.3	371.0495254	3.6765	25	1	4	3	InChI=1S/C18H14ClN3O2S/c19-10-16(23)22-8-7-11-9-12(5-6-14(11)22)20-17(24)18-21-13-3-1-2-4-15(13)25-18/h1-6,9H,7-8,10H2,(H,20,24)	O=C(Nc1ccc2c(c1)CCN2C(=O)CCl)c1nc2ccccc2s1	O=C(Nc1ccc2c(c1)CCN2C(=O)CCl)c1nc2ccccc2s1	WQDWRUPTLHGUHU-UHFFFAOYSA-N	.
LDCM0707	WH_9943_127A	.	.	301.367	C16H15NO3S	63.24	301.0772643	2.404	21	1	3	5	InChI=1S/C16H15NO3S/c18-16(14-8-3-1-4-9-14)17-12-7-13-21(19,20)15-10-5-2-6-11-15/h1-11,13H,12H2,(H,17,18)/b13-7+	O=C(NC/C=C/S(=O)(=O)c1ccccc1)c1ccccc1	O=C(NCC=CS(=O)(=O)c1ccccc1)c1ccccc1	NPHYDIZZHNAFTN-NTUHNPAUSA-N	.
LDCM0708	WH_9943_127B	.	.	315.394	C17H17NO3S	63.24	315.0929144	2.3329	22	1	3	6	InChI=1S/C17H17NO3S/c19-17(14-15-8-3-1-4-9-15)18-12-7-13-22(20,21)16-10-5-2-6-11-16/h1-11,13H,12,14H2,(H,18,19)/b13-7+	O=C(Cc1ccccc1)NC/C=C/S(=O)(=O)c1ccccc1	O=C(Cc1ccccc1)NCC=CS(=O)(=O)c1ccccc1	MHLMYJACQATLCG-NTUHNPAUSA-N	.
LDCM0709	WH_9943_157A	.	.	257.293	C14H15N3O2	81.99	257.1164267	0.97888	19	2	3	5	InChI=1S/C14H15N3O2/c15-10-14(7-8-14)17-12(18)6-9-16-13(19)11-4-2-1-3-5-11/h1-5H,6-9H2,(H,16,19)(H,17,18)	N#CC1(NC(=O)CCNC(=O)c2ccccc2)CC1	N#CC1(NC(=O)CCNC(=O)c2ccccc2)CC1	WUYVRVVCZSQZGI-UHFFFAOYSA-N	.
LDCM0710	WH_9943_157B	.	.	271.32	C15H17N3O2	81.99	271.1320768	0.90778	20	2	3	6	InChI=1S/C15H17N3O2/c16-11-15(7-8-15)18-13(19)6-9-17-14(20)10-12-4-2-1-3-5-12/h1-5H,6-10H2,(H,17,20)(H,18,19)	N#CC1(NC(=O)CCNC(=O)Cc2ccccc2)CC1	N#CC1(NC(=O)CCNC(=O)Cc2ccccc2)CC1	ZSUOFQFIVWVHRJ-UHFFFAOYSA-N	.
LDCM0711	WH_9943_186	.	.	286.335	C15H18N4O2	85.23	286.1429758	0.33558	21	2	4	6	InChI=1S/C15H18N4O2/c16-11-19-9-12(10-19)8-18-14(20)6-7-17-15(21)13-4-2-1-3-5-13/h1-5,12H,6-10H2,(H,17,21)(H,18,20)	N#CN1CC(CNC(=O)CCNC(=O)c2ccccc2)C1	N#CN1CC(CNC(=O)CCNC(=O)c2ccccc2)C1	YEJGNHFNBRJWJQ-UHFFFAOYSA-N	.
LDCM0712	WH_9943_188	.	.	286.335	C15H18N4O2	85.23	286.1429758	0.47808	21	2	4	5	InChI=1S/C15H18N4O2/c16-11-19-9-7-13(10-19)18-14(20)6-8-17-15(21)12-4-2-1-3-5-12/h1-5,13H,6-10H2,(H,17,21)(H,18,20)/t13-/m0/s1	N#CN1CC[C@H](NC(=O)CCNC(=O)c2ccccc2)C1	N#CN1CCC(NC(=O)CCNC(=O)c2ccccc2)C1	UKLKMGAHDARDGZ-ZDUSSCGKSA-N	.
LDCM0713	XL_10320_12A	.	.	853.465	C46H57ClN8O6	160.42	852.4089592	3.9131	61	3	10	15	InChI=1S/C46H57ClN8O6/c1-51-23-25-52(26-24-51)20-15-41(56)50-37-12-13-38-39(29-37)49-32-54(45(38)60)31-46(61)16-21-53(22-17-46)44(59)36(27-33-7-3-2-4-8-33)9-5-18-48-43(58)35-11-14-40-34(28-35)10-6-19-55(40)42(57)30-47/h2-4,7-8,11-14,28-29,32,36,61H,5-6,9-10,15-27,30-31H2,1H3,(H,48,58)(H,50,56)/t36-/m0/s1	CN1CCN(CCC(=O)Nc2ccc3c(=O)n(CC4(O)CCN(C(=O)[C@@H](CCCNC(=O)c5ccc6c(c5)CCCN6C(=O)CCl)Cc5ccccc5)CC4)cnc3c2)CC1	CN1CCN(CCC(=O)Nc2ccc3c(=O)n(CC4(O)CCN(C(=O)C(CCCNC(=O)c5ccc6c(c5)CCCN6C(=O)CCl)Cc5ccccc5)CC4)cnc3c2)CC1	QNOQZYTWUSKXNE-BHVANESWSA-N	.
LDCM0714	XL_10320_12b  	.	.	867.086	C46H58N8O7S	177.49	866.4149172	3.621	62	3	11	16	InChI=1S/C46H58N8O7S/c1-3-62(60,61)54-21-8-12-35-30-36(13-16-41(35)54)43(56)47-20-7-11-37(29-34-9-5-4-6-10-34)44(57)52-23-18-46(59,19-24-52)32-53-33-48-40-31-38(14-15-39(40)45(53)58)49-42(55)17-22-51-27-25-50(2)26-28-51/h3-6,9-10,13-16,30-31,33,37,59H,1,7-8,11-12,17-29,32H2,2H3,(H,47,56)(H,49,55)/t37-/m0/s1	C=CS(=O)(=O)N1CCCc2cc(C(=O)NCCC[C@@H](Cc3ccccc3)C(=O)N3CCC(O)(Cn4cnc5cc(NC(=O)CCN6CCN(C)CC6)ccc5c4=O)CC3)ccc21	C=CS(=O)(=O)N1CCCc2cc(C(=O)NCCCC(Cc3ccccc3)C(=O)N3CCC(O)(Cn4cnc5cc(NC(=O)CCN6CCN(C)CC6)ccc5c4=O)CC3)ccc21	CRIPQDPVRPEVIE-QNGWXLTQSA-N	.
LDCM0715	XL_10320_024	.	.	845.489	C48H57ClN8O4	132.77	844.41913	6.3606	61	2	9	14	InChI=1S/C48H57ClN8O4/c1-54-24-26-55(27-25-54)21-19-44(58)52-37-14-16-40-42(30-37)51-32-57(48(40)61)31-34-17-22-56(23-18-34)47(60)36(28-33-8-3-2-4-9-33)10-7-20-50-46(59)35-13-15-39-43(29-35)53-41-12-6-5-11-38(41)45(39)49/h2-4,8-9,13-16,29-30,32,34,36H,5-7,10-12,17-28,31H2,1H3,(H,50,59)(H,52,58)	CN1CCN(CCC(=O)Nc2ccc3c(=O)n(CC4CCN(C(=O)C(CCCNC(=O)c5ccc6c(Cl)c7c(nc6c5)CCCC7)Cc5ccccc5)CC4)cnc3c2)CC1	CN1CCN(CCC(=O)Nc2ccc3c(=O)n(CC4CCN(C(=O)C(CCCNC(=O)c5ccc6c(Cl)c7c(nc6c5)CCCC7)Cc5ccccc5)CC4)cnc3c2)CC1	ZXRWGZMELYCYMZ-UHFFFAOYSA-N	.
LDCM0716	XL_10320_005A	.	.	332.791	C16H17ClN4O2	67.23	332.1040035	1.5671	23	1	4	5	InChI=1S/C16H17ClN4O2/c17-6-15(22)21-8-13(9-21)16(23)19-14-10-20(11-18-14)7-12-4-2-1-3-5-12/h1-5,10-11,13H,6-9H2,(H,19,23)	O=C(Nc1cn(Cc2ccccc2)cn1)C1CN(C(=O)CCl)C1	O=C(Nc1cn(Cc2ccccc2)cn1)C1CN(C(=O)CCl)C1	LOESIAATHMZRSM-UHFFFAOYSA-N	.
LDCM0717	XL_10320_005B	.	.	310.357	C17H18N4O2	67.23	310.1429758	1.5143	23	1	4	5	InChI=1S/C17H18N4O2/c1-2-16(22)21-9-14(10-21)17(23)19-15-11-20(12-18-15)8-13-6-4-3-5-7-13/h2-7,11-12,14H,1,8-10H2,(H,19,23)	C=CC(=O)N1CC(C(=O)Nc2cn(Cc3ccccc3)cn2)C1	C=CC(=O)N1CC(C(=O)Nc2cn(Cc3ccccc3)cn2)C1	FPAUIFKJXVXRPL-UHFFFAOYSA-N	.
LDCM0718	XL_10320_005C	.	.	267.312	C15H15N4O	50.16	267.1245861	1.34729	20	1	4	4	InChI=1S/C15H15N4O/c1-18-8-13(9-18)15(20)17-14-10-19(11-16-14)7-12-5-3-2-4-6-12/h2-6,10-11,13H,7-9H2,(H,17,20)	[C]N1CC(C(=O)Nc2cn(Cc3ccccc3)cn2)C1	[C]N1CC(C(=O)Nc2cn(Cc3ccccc3)cn2)C1	YLVQDAHOWARFCZ-UHFFFAOYSA-N	.
LDCM0719	XL_10320_006A	.	.	266.304	C15H14N4O	70.71	266.1167611	2.17368	20	1	4	4	InChI=1S/C15H14N4O/c16-10-15(6-7-15)14(20)18-13-9-19(11-17-13)8-12-4-2-1-3-5-12/h1-5,9,11H,6-8H2,(H,18,20)	N#CC1(C(=O)Nc2cn(Cc3ccccc3)cn2)CC1	N#CC1(C(=O)Nc2cn(Cc3ccccc3)cn2)CC1	YEVRWYKDSWBBOV-UHFFFAOYSA-N	.
LDCM0720	XL_10320_006B	.	.	294.358	C17H18N4O	70.71	294.1480612	2.95388	22	1	4	4	InChI=1S/C17H18N4O/c18-12-17(8-4-5-9-17)16(22)20-15-11-21(13-19-15)10-14-6-2-1-3-7-14/h1-3,6-7,11,13H,4-5,8-10H2,(H,20,22)	N#CC1(C(=O)Nc2cn(Cc3ccccc3)cn2)CCCC1	N#CC1(C(=O)Nc2cn(Cc3ccccc3)cn2)CCCC1	RWKAHAVTBYIFTK-UHFFFAOYSA-N	.
LDCM0721	XL_10320_006C	.	.	360.417	C21H20N4O2	76.02	360.1586259	2.7425	27	2	4	7	InChI=1S/C21H20N4O2/c26-20(22-13-17-7-3-1-4-8-17)11-12-21(27)24-19-15-25(16-23-19)14-18-9-5-2-6-10-18/h1-12,15-16H,13-14H2,(H,22,26)(H,24,27)/b12-11+	O=C(/C=C/C(=O)Nc1cn(Cc2ccccc2)cn1)NCc1ccccc1	O=C(C=CC(=O)Nc1cn(Cc2ccccc2)cn1)NCc1ccccc1	POSXXQGUSFRAFK-VAWYXSNFSA-N	.
LDCM0722	XL_10320_007A	.	.	318.764	C15H15ClN4O2	75.19	318.0883534	1.6556	22	1	4	3	InChI=1S/C15H15ClN4O2/c16-7-13(21)20-6-5-10(8-20)15(22)19-14-11-3-1-2-4-12(11)17-9-18-14/h1-4,9-10H,5-8H2,(H,17,18,19,22)/t10-/m0/s1	O=C(Nc1ncnc2ccccc12)[C@H]1CCN(C(=O)CCl)C1	O=C(Nc1ncnc2ccccc12)C1CCN(C(=O)CCl)C1	HVCOMBGJXZUVCN-JTQLQIEISA-N	.
LDCM0723	XL_10320_007B	.	.	296.33	C16H16N4O2	75.19	296.1273258	1.6028	22	1	4	3	InChI=1S/C16H16N4O2/c1-2-14(21)20-8-7-11(9-20)16(22)19-15-12-5-3-4-6-13(12)17-10-18-15/h2-6,10-11H,1,7-9H2,(H,17,18,19,22)/t11-/m0/s1	C=CC(=O)N1CC[C@H](C(=O)Nc2ncnc3ccccc23)C1	C=CC(=O)N1CCC(C(=O)Nc2ncnc3ccccc23)C1	DZDFZBWATACKLP-NSHDSACASA-N	.
LDCM0724	XL_10320_007C	.	.	267.292	C14H13N5O	81.91	267.11201	1.37128	20	1	5	2	InChI=1S/C14H13N5O/c15-8-19-6-5-10(7-19)14(20)18-13-11-3-1-2-4-12(11)16-9-17-13/h1-4,9-10H,5-7H2,(H,16,17,18,20)/t10-/m0/s1	N#CN1CC[C@H](C(=O)Nc2ncnc3ccccc23)C1	N#CN1CCC(C(=O)Nc2ncnc3ccccc23)C1	JCRNQTLCMXZQDT-JTQLQIEISA-N	.
LDCM0725	XL_10320_009A	.	.	334.807	C16H19ClN4O2	78.35	334.1196535	1.634	23	2	5	4	InChI=1S/C16H19ClN4O2/c17-9-14(22)21-7-5-16(23,6-8-21)11-19-15-18-10-12-3-1-2-4-13(12)20-15/h1-4,10,23H,5-9,11H2,(H,18,19,20)	O=C(CCl)N1CCC(O)(CNc2ncc3ccccc3n2)CC1	O=C(CCl)N1CCC(O)(CNc2ncc3ccccc3n2)CC1	FRIZBFGZXSCECL-UHFFFAOYSA-N	.
LDCM0726	XL_10320_009B	.	.	312.373	C17H20N4O2	78.35	312.1586259	1.5812	23	2	5	4	InChI=1S/C17H20N4O2/c1-2-15(22)21-9-7-17(23,8-10-21)12-19-16-18-11-13-5-3-4-6-14(13)20-16/h2-6,11,23H,1,7-10,12H2,(H,18,19,20)	C=CC(=O)N1CCC(O)(CNc2ncc3ccccc3n2)CC1	C=CC(=O)N1CCC(O)(CNc2ncc3ccccc3n2)CC1	LAPLYLFVJDPQAS-UHFFFAOYSA-N	.
LDCM0727	XL_10320_009C	.	.	283.335	C15H17N5O	85.07	283.1433102	1.34968	21	2	6	3	InChI=1S/C15H17N5O/c16-11-20-7-5-15(21,6-8-20)10-18-14-17-9-12-3-1-2-4-13(12)19-14/h1-4,9,21H,5-8,10H2,(H,17,18,19)	N#CN1CCC(O)(CNc2ncc3ccccc3n2)CC1	N#CN1CCC(O)(CNc2ncc3ccccc3n2)CC1	NWUHYBDSIBQQTR-UHFFFAOYSA-N	.
LDCM0728	XL_10320_027A	.	.	388.674	C13H11BrClN3O2S	62.3	386.9443874	2.6945	21	1	4	3	InChI=1S/C13H11BrClN3O2S/c14-8-1-2-9-10(3-8)21-13(16-9)17-12(20)7-5-18(6-7)11(19)4-15/h1-3,7H,4-6H2,(H,16,17,20)	O=C(Nc1nc2ccc(Br)cc2s1)C1CN(C(=O)CCl)C1	O=C(Nc1nc2ccc(Br)cc2s1)C1CN(C(=O)CCl)C1	VDAWIWHQUDOPDP-UHFFFAOYSA-N	.
LDCM0729	XL_10320_027B	.	.	366.24	C14H12BrN3O2S	62.3	364.9833597	2.6417	21	1	4	3	InChI=1S/C14H12BrN3O2S/c1-2-12(19)18-6-8(7-18)13(20)17-14-16-10-4-3-9(15)5-11(10)21-14/h2-5,8H,1,6-7H2,(H,16,17,20)	C=CC(=O)N1CC(C(=O)Nc2nc3ccc(Br)cc3s2)C1	C=CC(=O)N1CC(C(=O)Nc2nc3ccc(Br)cc3s2)C1	QUPMJSJDHPKSAQ-UHFFFAOYSA-N	.
LDCM0730	XL_10320_027C	.	.	337.202	C12H9BrN4OS	69.02	335.968044	2.41018	19	1	5	2	InChI=1S/C12H9BrN4OS/c13-8-1-2-9-10(3-8)19-12(15-9)16-11(18)7-4-17(5-7)6-14/h1-3,7H,4-5H2,(H,15,16,18)	N#CN1CC(C(=O)Nc2nc3ccc(Br)cc3s2)C1	N#CN1CC(C(=O)Nc2nc3ccc(Br)cc3s2)C1	GZNHJHVOFVKPRZ-UHFFFAOYSA-N	.
LDCM0731	XL_10320_028A	.	.	296.798	C15H21ClN2O2	43.78	296.1291556	1.7151	20	1	3	4	InChI=1S/C15H21ClN2O2/c1-17(13-5-3-2-4-6-13)12-15(20)7-9-18(10-8-15)14(19)11-16/h2-6,20H,7-12H2,1H3	CN(CC1(O)CCN(C(=O)CCl)CC1)c1ccccc1	CN(CC1(O)CCN(C(=O)CCl)CC1)c1ccccc1	PKRIHWHCJCEBNZ-UHFFFAOYSA-N	.
LDCM0732	XL_10320_028B	.	.	274.364	C16H22N2O2	43.78	274.1681279	1.6623	20	1	3	4	InChI=1S/C16H22N2O2/c1-3-15(19)18-11-9-16(20,10-12-18)13-17(2)14-7-5-4-6-8-14/h3-8,20H,1,9-13H2,2H3	C=CC(=O)N1CCC(O)(CN(C)c2ccccc2)CC1	C=CC(=O)N1CCC(O)(CN(C)c2ccccc2)CC1	FYLLTPLQDLFMOJ-UHFFFAOYSA-N	.
LDCM0733	XL_10320_028C	.	.	245.326	C14H19N3O	50.5	245.1528122	1.43078	18	1	4	3	InChI=1S/C14H19N3O/c1-16(13-5-3-2-4-6-13)11-14(18)7-9-17(12-15)10-8-14/h2-6,18H,7-11H2,1H3	CN(CC1(O)CCN(C#N)CC1)c1ccccc1	CN(CC1(O)CCN(C#N)CC1)c1ccccc1	BIEQMZNVZCDPFC-UHFFFAOYSA-N	.
LDCM0734	XL_10320_029A	.	.	280.755	C14H17ClN2O2	49.41	280.0978555	1.3901	19	1	2	4	InChI=1S/C14H17ClN2O2/c15-8-13(18)17-7-6-12(10-17)14(19)16-9-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,16,19)/t12-/m0/s1	O=C(NCc1ccccc1)[C@H]1CCN(C(=O)CCl)C1	O=C(NCc1ccccc1)C1CCN(C(=O)CCl)C1	QSQFUVBSZQDHLA-LBPRGKRZSA-N	.
LDCM0735	XL_10320_029B	.	.	258.321	C15H18N2O2	49.41	258.1368278	1.3373	19	1	2	4	InChI=1S/C15H18N2O2/c1-2-14(18)17-9-8-13(11-17)15(19)16-10-12-6-4-3-5-7-12/h2-7,13H,1,8-11H2,(H,16,19)/t13-/m0/s1	C=CC(=O)N1CC[C@H](C(=O)NCc2ccccc2)C1	C=CC(=O)N1CCC(C(=O)NCc2ccccc2)C1	ISJNBLPALJFYOK-ZDUSSCGKSA-N	.
LDCM0736	XL_10320_029C	.	.	229.283	C13H15N3O	56.13	229.1215121	1.10578	17	1	3	3	InChI=1S/C13H15N3O/c14-10-16-7-6-12(9-16)13(17)15-8-11-4-2-1-3-5-11/h1-5,12H,6-9H2,(H,15,17)/t12-/m0/s1	N#CN1CC[C@H](C(=O)NCc2ccccc2)C1	N#CN1CCC(C(=O)NCc2ccccc2)C1	DRBTYTAMDPIBFU-LBPRGKRZSA-N	.
LDCM0737	XL_10320_054B	.	.	386.455	C23H22N4O2	67.23	386.1742759	3.6489	29	1	4	5	InChI=1S/C23H22N4O2/c1-2-22(28)27-12-6-9-18-13-19(10-11-20(18)27)23(29)25-21-15-26(16-24-21)14-17-7-4-3-5-8-17/h2-5,7-8,10-11,13,15-16H,1,6,9,12,14H2,(H,25,29)	C=CC(=O)N1CCCc2cc(C(=O)Nc3cn(Cc4ccccc4)cn3)ccc21	C=CC(=O)N1CCCc2cc(C(=O)Nc3cn(Cc4ccccc4)cn3)ccc21	CVZZVDGKHSRDAD-UHFFFAOYSA-N	.
LDCM0738	XL_10320_061A	.	.	330.427	C23H22O2	34.14	330.1619799	4.65182	25	0	2	7	InChI=1S/C23H22O2/c1-17-7-9-20-14-19(15-21(20)13-17)16-23(25)12-11-22(24)10-8-18-5-3-2-4-6-18/h2-7,9,11-14H,8,10,15-16H2,1H3/b12-11+	Cc1ccc2c(c1)CC(CC(=O)/C=C/C(=O)CCc1ccccc1)=C2	Cc1ccc2c(c1)CC(CC(=O)C=CC(=O)CCc1ccccc1)=C2	AKWDECFXOWGNIY-VAWYXSNFSA-N	.
LDCM0739	XL_10320_061C	.	.	332.363	C19H16N4O2	83.98	332.1273258	2.4409	25	2	4	5	InChI=1S/C19H16N4O2/c24-17(20-12-14-6-2-1-3-7-14)10-11-18(25)23-19-15-8-4-5-9-16(15)21-13-22-19/h1-11,13H,12H2,(H,20,24)(H,21,22,23,25)/b11-10+	O=C(/C=C/C(=O)Nc1ncnc2ccccc12)NCc1ccccc1	O=C(C=CC(=O)Nc1ncnc2ccccc12)NCc1ccccc1	LRVQXHVBIWLUNE-ZHACJKMWSA-N	.
LDCM0740	XL_10320_062A	.	.	266.728	C13H15ClN2O2	49.41	266.0822054	1	18	1	2	4	InChI=1S/C13H15ClN2O2/c14-6-12(17)16-8-11(9-16)13(18)15-7-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,15,18)	O=C(NCc1ccccc1)C1CN(C(=O)CCl)C1	O=C(NCc1ccccc1)C1CN(C(=O)CCl)C1	JVGFCSIFZOAGHO-UHFFFAOYSA-N	.
LDCM0741	XL_10320_062B	.	.	244.294	C14H16N2O2	49.41	244.1211778	0.9472	18	1	2	4	InChI=1S/C14H16N2O2/c1-2-13(17)16-9-12(10-16)14(18)15-8-11-6-4-3-5-7-11/h2-7,12H,1,8-10H2,(H,15,18)	C=CC(=O)N1CC(C(=O)NCc2ccccc2)C1	C=CC(=O)N1CC(C(=O)NCc2ccccc2)C1	MZSDHMAZLQLKAR-UHFFFAOYSA-N	.
LDCM0742	XL_10320_062C	.	.	215.256	C12H13N3O	56.13	215.105862	0.71568	16	1	3	3	InChI=1S/C12H13N3O/c13-9-15-7-11(8-15)12(16)14-6-10-4-2-1-3-5-10/h1-5,11H,6-8H2,(H,14,16)	N#CN1CC(C(=O)NCc2ccccc2)C1	N#CN1CC(C(=O)NCc2ccccc2)C1	RXFOMPVASOUONZ-UHFFFAOYSA-N	.
LDCM0743	XL_10320_064A	.	.	349.843	C16H16ClN3O2S	62.3	349.0651754	2.8359	23	1	4	4	InChI=1S/C16H16ClN3O2S/c17-8-14(21)20-7-6-12(10-20)15(22)19-16-18-9-13(23-16)11-4-2-1-3-5-11/h1-5,9,12H,6-8,10H2,(H,18,19,22)/t12-/m0/s1	O=C(Nc1ncc(-c2ccccc2)s1)[C@H]1CCN(C(=O)CCl)C1	O=C(Nc1ncc(-c2ccccc2)s1)C1CCN(C(=O)CCl)C1	MWSNNASBLOSWFB-LBPRGKRZSA-N	.
LDCM0744	XL_10320_064B	.	.	327.409	C17H17N3O2S	62.3	327.1041478	2.7831	23	1	4	4	InChI=1S/C17H17N3O2S/c1-2-15(21)20-9-8-13(11-20)16(22)19-17-18-10-14(23-17)12-6-4-3-5-7-12/h2-7,10,13H,1,8-9,11H2,(H,18,19,22)/t13-/m0/s1	C=CC(=O)N1CC[C@H](C(=O)Nc2ncc(-c3ccccc3)s2)C1	C=CC(=O)N1CCC(C(=O)Nc2ncc(-c3ccccc3)s2)C1	CRAPHAQYGKBGSE-ZDUSSCGKSA-N	.
LDCM0745	XL_10320_064C	.	.	298.371	C15H14N4OS	69.02	298.0888321	2.55158	21	1	5	3	InChI=1S/C15H14N4OS/c16-10-19-7-6-12(9-19)14(20)18-15-17-8-13(21-15)11-4-2-1-3-5-11/h1-5,8,12H,6-7,9H2,(H,17,18,20)/t12-/m0/s1	N#CN1CC[C@H](C(=O)Nc2ncc(-c3ccccc3)s2)C1	N#CN1CCC(C(=O)Nc2ncc(-c3ccccc3)s2)C1	DPOQOSJMDTZFOR-LBPRGKRZSA-N	.
LDCM0746	XL_10320_065A	.	.	335.816	C15H14ClN3O2S	62.3	335.0495254	2.4458	22	1	4	4	InChI=1S/C15H14ClN3O2S/c16-6-13(20)19-8-11(9-19)14(21)18-15-17-7-12(22-15)10-4-2-1-3-5-10/h1-5,7,11H,6,8-9H2,(H,17,18,21)	O=C(Nc1ncc(-c2ccccc2)s1)C1CN(C(=O)CCl)C1	O=C(Nc1ncc(-c2ccccc2)s1)C1CN(C(=O)CCl)C1	WMZVPIYYEUUZEL-UHFFFAOYSA-N	.
LDCM0747	AF-11010_105	.	.	314.389	C17H22N4O2	85.23	314.1742759	0.79708	23	2	4	6	InChI=1S/C17H22N4O2/c18-13-21-10-4-7-15(12-21)20-16(22)8-9-19-17(23)11-14-5-2-1-3-6-14/h1-3,5-6,15H,4,7-12H2,(H,19,23)(H,20,22)/t15-/m0/s1	N#CN1CCC[C@H](NC(=O)CCNC(=O)Cc2ccccc2)C1	N#CN1CCCC(NC(=O)CCNC(=O)Cc2ccccc2)C1	CUTBSHLBXDQRLA-HNNXBMFYSA-N	.
LDCM0748	XL_9872_123A	.	.	418.5	C18H18N4O4S2	96.61	418.0769471	2.69004	28	0	7	4	InChI=1S/C18H18N4O4S2/c1-4-28(24,25)21-7-8-22(16(23)10-21)18-19-14-9-13(5-6-15(14)27-18)17-11(2)20-26-12(17)3/h4-6,9H,1,7-8,10H2,2-3H3	C=CS(=O)(=O)N1CCN(c2nc3cc(-c4c(C)noc4C)ccc3s2)C(=O)C1	C=CS(=O)(=O)N1CCN(c2nc3cc(-c4c(C)noc4C)ccc3s2)C(=O)C1	LTAZRMJXNNWKDB-UHFFFAOYSA-N	.
LDCM0749	XL_9872_123B	.	.	382.445	C19H18N4O3S	79.54	382.1099614	2.92934	27	0	6	3	InChI=1S/C19H18N4O3S/c1-4-16(24)22-7-8-23(17(25)10-22)19-20-14-9-13(5-6-15(14)27-19)18-11(2)21-26-12(18)3/h4-6,9H,1,7-8,10H2,2-3H3	C=CC(=O)N1CCN(c2nc3cc(-c4c(C)noc4C)ccc3s2)C(=O)C1	C=CC(=O)N1CCN(c2nc3cc(-c4c(C)noc4C)ccc3s2)C(=O)C1	KAVQBQUBUHCVLK-UHFFFAOYSA-N	.
LDCM0750	XL_9872_123C	.	.	352.419	C18H16N4O2S	62.47	352.0993968	2.80744	25	0	6	2	InChI=1S/C18H16N4O2S/c1-4-21-7-8-22(16(23)10-21)18-19-14-9-13(5-6-15(14)25-18)17-11(2)20-24-12(17)3/h1,5-6,9H,7-8,10H2,2-3H3	C#CN1CCN(c2nc3cc(-c4c(C)noc4C)ccc3s2)C(=O)C1	C#CN1CCN(c2nc3cc(-c4c(C)noc4C)ccc3s2)C(=O)C1	JYUFRXJCOMXPIW-UHFFFAOYSA-N	.
LDCM0751	XL_9872_126A	.	.	375.453	C21H17N3O2S	68.02	375.1041478	5.35964	27	1	5	4	InChI=1S/C21H17N3O2S/c1-4-19(25)22-16-8-5-14(6-9-16)21-23-17-10-7-15(11-18(17)27-21)20-12(2)24-26-13(20)3/h4-11H,1H2,2-3H3,(H,22,25)	C=CC(=O)Nc1ccc(-c2nc3ccc(-c4c(C)noc4C)cc3s2)cc1	C=CC(=O)Nc1ccc(-c2nc3ccc(-c4c(C)noc4C)cc3s2)cc1	SWHOFBJJTNNHOQ-UHFFFAOYSA-N	.
LDCM0752	XL_9872_126B	.	.	411.508	C20H17N3O3S2	85.09	411.0711334	5.12034	28	1	6	5	InChI=1S/C20H17N3O3S2/c1-4-28(24,25)23-16-8-5-14(6-9-16)20-21-17-10-7-15(11-18(17)27-20)19-12(2)22-26-13(19)3/h4-11,23H,1H2,2-3H3	C=CS(=O)(=O)Nc1ccc(-c2nc3ccc(-c4c(C)noc4C)cc3s2)cc1	C=CS(=O)(=O)Nc1ccc(-c2nc3ccc(-c4c(C)noc4C)cc3s2)cc1	TYTXPTACSHLEQF-UHFFFAOYSA-N	.
LDCM0753	XL_9872_151A	.	.	347.237	C15H11BrN2OS	41.99	345.9775461	3.9888	20	1	3	3	InChI=1S/C15H11BrN2OS/c16-15-18-12-7-6-11(8-13(12)20-15)14(19)17-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,17,19)	O=C(NCc1ccccc1)c1ccc2nc(Br)sc2c1	O=C(NCc1ccccc1)c1ccc2nc(Br)sc2c1	QGSHLMSFERDZEW-UHFFFAOYSA-N	.
LDCM0754	XL_9872_151B	.	.	297.177	C11H9BrN2OS	41.99	295.961896	2.8356	16	1	3	3	InChI=1S/C11H9BrN2OS/c12-11-14-7-9(16-11)10(15)13-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,13,15)	O=C(NCc1ccccc1)c1cnc(Br)s1	O=C(NCc1ccccc1)c1cnc(Br)s1	WMRMFIGVVWSZJJ-UHFFFAOYSA-N	.
LDCM0755	XL_9872_151C	.	.	297.177	C11H9BrN2OS	41.99	295.961896	2.8356	16	1	3	3	InChI=1S/C11H9BrN2OS/c12-11-14-9(7-16-11)10(15)13-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,13,15)	O=C(NCc1ccccc1)c1csc(Br)n1	O=C(NCc1ccccc1)c1csc(Br)n1	OLRVWSKLVHMCOJ-UHFFFAOYSA-N	.
LDCM0756	AF_11010_136	.	.	286.335	C15H18N4O2	85.23	286.1429758	0.01688	21	2	4	5	InChI=1S/C15H18N4O2/c16-11-19-7-6-13(10-19)18-15(21)9-17-14(20)8-12-4-2-1-3-5-12/h1-5,13H,6-10H2,(H,17,20)(H,18,21)/t13-/m1/s1	N#CN1CC[C@@H](NC(=O)CNC(=O)Cc2ccccc2)C1	N#CN1CCC(NC(=O)CNC(=O)Cc2ccccc2)C1	LDJISLOGLQIKQX-CYBMUJFWSA-N	.
LDCM0757	XL_9678_159A	.	.	363.442	C20H17N3O2S	71.09	363.1041478	3.6212	26	2	4	6	InChI=1S/C20H17N3O2S/c24-18(21-13-15-7-3-1-4-8-15)11-12-19(25)23-20-22-17(14-26-20)16-9-5-2-6-10-16/h1-12,14H,13H2,(H,21,24)(H,22,23,25)/b12-11+	O=C(/C=C/C(=O)Nc1nc(-c2ccccc2)cs1)NCc1ccccc1	O=C(C=CC(=O)Nc1nc(-c2ccccc2)cs1)NCc1ccccc1	OVAJYMVRALDQEL-VAWYXSNFSA-N	.
LDCM0758	AF_11010_64	.	.	329.4	C18H23N3O3	78.51	329.1739416	0.6385	24	2	3	7	InChI=1S/C18H23N3O3/c1-2-18(24)21-11-9-15(13-21)20-16(22)8-10-19-17(23)12-14-6-4-3-5-7-14/h2-7,15H,1,8-13H2,(H,19,23)(H,20,22)/t15-/m0/s1	C=CC(=O)N1CC[C@H](NC(=O)CCNC(=O)Cc2ccccc2)C1	C=CC(=O)N1CCC(NC(=O)CCNC(=O)Cc2ccccc2)C1	BEEQLMYLHHNMSW-HNNXBMFYSA-N	.
LDCM0759	Bin-01-35	.	.	353.407	C17H15N5O2S	95.05	353.0946457	2.91952	25	1	7	3	InChI=1S/C17H15N5O2S/c1-9-14(10(2)24-21-9)12-4-3-5-13-15(12)25-17(19-13)20-16(23)11-6-22(7-11)8-18/h3-5,11H,6-7H2,1-2H3,(H,19,20,23)	Cc1noc(C)c1-c1cccc2nc(NC(=O)C3CN(C#N)C3)sc12	Cc1noc(C)c1-c1cccc2nc(NC(=O)C3CN(C#N)C3)sc12	DZYKDNKMHWWVJP-UHFFFAOYSA-N	.
LDCM0760	XL_9678_159B	.	.	269.329	C14H11N3OS	65.78	269.062283	3.05238	19	1	4	3	InChI=1S/C14H11N3OS/c15-9-14(6-7-14)12(18)17-13-16-11(8-19-13)10-4-2-1-3-5-10/h1-5,8H,6-7H2,(H,16,17,18)	N#CC1(C(=O)Nc2nc(-c3ccccc3)cs2)CC1	N#CC1(C(=O)Nc2nc(-c3ccccc3)cs2)CC1	JVWXSJJUYTVKDF-UHFFFAOYSA-N	.
LDCM0761	XL_9678_159C	.	.	297.383	C16H15N3OS	65.78	297.0935831	3.83258	21	1	4	3	InChI=1S/C16H15N3OS/c17-11-16(8-4-5-9-16)14(20)19-15-18-13(10-21-15)12-6-2-1-3-7-12/h1-3,6-7,10H,4-5,8-9H2,(H,18,19,20)	N#CC1(C(=O)Nc2nc(-c3ccccc3)cs2)CCCC1	N#CC1(C(=O)Nc2nc(-c3ccccc3)cs2)CCCC1	SEPHQIIRAKORSL-UHFFFAOYSA-N	.
LDCM0762	XL_9678_185B	.	.	238.25	C13H10N4O	78.67	238.0854609	1.87208	18	1	4	2	InChI=1S/C13H10N4O/c14-7-13(5-6-13)12(18)17-11-9-3-1-2-4-10(9)15-8-16-11/h1-4,8H,5-6H2,(H,15,16,17,18)	N#CC1(C(=O)Nc2ncnc3ccccc23)CC1	N#CC1(C(=O)Nc2ncnc3ccccc23)CC1	ULGCEBBUIKVPSB-UHFFFAOYSA-N	.
LDCM0763	XL_9678_185C	.	.	266.304	C15H14N4O	78.67	266.1167611	2.65228	20	1	4	2	InChI=1S/C15H14N4O/c16-9-15(7-3-4-8-15)14(20)19-13-11-5-1-2-6-12(11)17-10-18-13/h1-2,5-6,10H,3-4,7-8H2,(H,17,18,19,20)	N#CC1(C(=O)Nc2ncnc3ccccc23)CCCC1	N#CC1(C(=O)Nc2ncnc3ccccc23)CCCC1	YIYKBIWALXJHSE-UHFFFAOYSA-N	.
LDCM0764	Bin-01-28 	.	.	229.283	C13H15N3O	56.13	229.1215121	0.90068	17	1	3	3	InChI=1S/C13H15N3O/c14-10-16-7-6-12(9-16)15-13(17)8-11-4-2-1-3-5-11/h1-5,12H,6-9H2,(H,15,17)/t12-/m0/s1	N#CN1CC[C@H](NC(=O)Cc2ccccc2)C1	N#CN1CCC(NC(=O)Cc2ccccc2)C1	WVMVLULZYCZUEL-LBPRGKRZSA-N	.
LDCM0765	Bin-01-36 	.	.	376.401	C18H12N6O2S	117.59	376.0742446	3.48212	27	1	8	3	InChI=1S/C18H12N6O2S/c1-9-15(10(2)26-24-9)12-4-3-5-13-16(12)27-18(22-13)23-17(25)11-7-20-14(6-19)21-8-11/h3-5,7-8H,1-2H3,(H,22,23,25)	Cc1noc(C)c1-c1cccc2nc(NC(=O)c3cnc(C#N)nc3)sc12	Cc1noc(C)c1-c1cccc2nc(NC(=O)c3cnc(C#N)nc3)sc12	UOYDBMKGBSJRGS-UHFFFAOYSA-N	.
LDCM0766	XL_9872_128A	.	.	375.453	C21H17N3O2S	68.02	375.1041478	5.35964	27	1	5	4	InChI=1S/C21H17N3O2S/c1-4-19(25)22-16-7-5-6-15(10-16)21-23-17-9-8-14(11-18(17)27-21)20-12(2)24-26-13(20)3/h4-11H,1H2,2-3H3,(H,22,25)	C=CC(=O)Nc1cccc(-c2nc3ccc(-c4c(C)noc4C)cc3s2)c1	C=CC(=O)Nc1cccc(-c2nc3ccc(-c4c(C)noc4C)cc3s2)c1	UUBNQIQBXMREKL-UHFFFAOYSA-N	.
LDCM0767	XL_9872_128B	.	.	411.508	C20H17N3O3S2	85.09	411.0711334	5.12034	28	1	6	5	InChI=1S/C20H17N3O3S2/c1-4-28(24,25)23-16-7-5-6-15(10-16)20-21-17-9-8-14(11-18(17)27-20)19-12(2)22-26-13(19)3/h4-11,23H,1H2,2-3H3	C=CS(=O)(=O)Nc1cccc(-c2nc3ccc(-c4c(C)noc4C)cc3s2)c1	C=CS(=O)(=O)Nc1cccc(-c2nc3ccc(-c4c(C)noc4C)cc3s2)c1	VXUKKYSPGGVCPQ-UHFFFAOYSA-N	.
LDCM0768	XL_9872_159	.	.	373.275	C17H13BrN2OS	41.99	371.9931961	4.5026	22	1	3	4	InChI=1S/C17H13BrN2OS/c18-17-20-11-15(22-17)13-6-8-14(9-7-13)16(21)19-10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,19,21)	O=C(NCc1ccccc1)c1ccc(-c2cnc(Br)s2)cc1	O=C(NCc1ccccc1)c1ccc(-c2cnc(Br)s2)cc1	SICMPKDFRGHXGZ-UHFFFAOYSA-N	.
LDCM0769	XL_9872_163	.	.	368.44	C14H16N4O4S2	96.61	368.061297	1.53684	24	0	7	4	InChI=1S/C14H16N4O4S2/c1-4-24(20,21)17-5-6-18(12(19)8-17)14-15-7-11(23-14)13-9(2)16-22-10(13)3/h4,7H,1,5-6,8H2,2-3H3	C=CS(=O)(=O)N1CCN(c2ncc(-c3c(C)noc3C)s2)C(=O)C1	C=CS(=O)(=O)N1CCN(c2ncc(-c3c(C)noc3C)s2)C(=O)C1	CPGIZUFTBQRQOQ-UHFFFAOYSA-N	.
LDCM0770	Bin-01-25	.	.	376.401	C18H12N6O2S	117.59	376.0742446	3.48212	27	1	8	3	InChI=1S/C18H12N6O2S/c1-9-16(10(2)26-24-9)11-3-4-12-14(7-11)27-18(22-12)23-17(25)13-5-6-20-15(8-19)21-13/h3-7H,1-2H3,(H,22,23,25)	Cc1noc(C)c1-c1ccc2nc(NC(=O)c3ccnc(C#N)n3)sc2c1	Cc1noc(C)c1-c1ccc2nc(NC(=O)c3ccnc(C#N)n3)sc2c1	HZSBUORJJUPLMR-UHFFFAOYSA-N	.
LDCM0771	Bin-01-33	.	.	357.439	C17H19N5O2S	98.12	357.1259458	1.47788	25	2	6	7	InChI=1S/C17H19N5O2S/c18-11-22-9-12(10-22)20-15(23)7-3-4-8-19-16(24)17-21-13-5-1-2-6-14(13)25-17/h1-2,5-6,12H,3-4,7-10H2,(H,19,24)(H,20,23)	N#CN1CC(NC(=O)CCCCNC(=O)c2nc3ccccc3s2)C1	N#CN1CC(NC(=O)CCCCNC(=O)c2nc3ccccc3s2)C1	JFYLPBKCWANQTC-UHFFFAOYSA-N	.
LDCM0772	WH_9943_105B	.	.	301.371	C15H15N3O2S	62.3	301.0884977	1.813	21	1	4	3	InChI=1S/C15H15N3O2S/c1-2-13(19)18-8-7-10(9-18)16-14(20)15-17-11-5-3-4-6-12(11)21-15/h2-6,10H,1,7-9H2,(H,16,20)/t10-/m0/s1	C=CC(=O)N1CC[C@H](NC(=O)c2nc3ccccc3s2)C1	C=CC(=O)N1CCC(NC(=O)c2nc3ccccc3s2)C1	RVKGBUHJEAXKCR-JTQLQIEISA-N	.
LDCM0773	WH_9943_108C	.	.	280.755	C14H17ClN2O2	49.41	280.0978555	1.185	19	1	2	4	InChI=1S/C14H17ClN2O2/c15-9-14(19)17-7-6-12(10-17)16-13(18)8-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,16,18)/t12-/m0/s1	O=C(Cc1ccccc1)N[C@H]1CCN(C(=O)CCl)C1	O=C(Cc1ccccc1)NC1CCN(C(=O)CCl)C1	XHNVHPCPNLPRAR-LBPRGKRZSA-N	.
LDCM0774	WH_9943_119C	.	.	314.772	C17H15ClN2O2	49.41	314.0822054	3.0668	22	1	2	3	InChI=1S/C17H15ClN2O2/c18-11-16(21)20-9-8-13-10-14(6-7-15(13)20)19-17(22)12-4-2-1-3-5-12/h1-7,10H,8-9,11H2,(H,19,22)	O=C(Nc1ccc2c(c1)CCN2C(=O)CCl)c1ccccc1	O=C(Nc1ccc2c(c1)CCN2C(=O)CCl)c1ccccc1	CDCDTZWSQBSLSW-UHFFFAOYSA-N	.
LDCM0775	WH_9943_173	.	.	729.282	C38H45ClN8O5	153	728.3201442	2.8364	52	3	10	9	InChI=1S/C38H45ClN8O5/c1-44-16-18-45(19-17-44)13-10-33(48)42-26-7-9-29-31(21-26)41-24-47(37(29)51)23-38(52)11-14-46(15-12-38)34(49)22-40-36(50)25-6-8-28-32(20-25)43-30-5-3-2-4-27(30)35(28)39/h6-9,20-21,24,52H,2-5,10-19,22-23H2,1H3,(H,40,50)(H,42,48)	CN1CCN(CCC(=O)Nc2ccc3c(=O)n(CC4(O)CCN(C(=O)CNC(=O)c5ccc6c(Cl)c7c(nc6c5)CCCC7)CC4)cnc3c2)CC1	CN1CCN(CCC(=O)Nc2ccc3c(=O)n(CC4(O)CCN(C(=O)CNC(=O)c5ccc6c(Cl)c7c(nc6c5)CCCC7)CC4)cnc3c2)CC1	VDCOXJAPMHQHRP-UHFFFAOYSA-N	.
LDCM0776	WH_9943_174	.	.	717.271	C37H45ClN8O5	175.78	716.3201442	2.8696	51	4	10	12	InChI=1S/C37H45ClN8O5/c1-44(19-14-39)16-11-32(47)42-25-7-9-28-30(21-25)41-23-46(36(28)50)22-37(51)12-17-45(18-13-37)33(48)10-15-40-35(49)24-6-8-27-31(20-24)43-29-5-3-2-4-26(29)34(27)38/h6-9,20-21,23,51H,2-5,10-19,22,39H2,1H3,(H,40,49)(H,42,47)	CN(CCN)CCC(=O)Nc1ccc2c(=O)n(CC3(O)CCN(C(=O)CCNC(=O)c4ccc5c(Cl)c6c(nc5c4)CCCC6)CC3)cnc2c1	CN(CCN)CCC(=O)Nc1ccc2c(=O)n(CC3(O)CCN(C(=O)CCNC(=O)c4ccc5c(Cl)c6c(nc5c4)CCCC6)CC3)cnc2c1	TVWXEYIQCFDSCO-UHFFFAOYSA-N	.
LDCM0777	WH_9943_175	.	.	757.336	C40H49ClN8O5	153	756.3514443	3.6166	54	3	10	11	InChI=1S/C40H49ClN8O5/c1-46-19-21-47(22-20-46)16-12-35(50)44-28-9-11-31-33(24-28)43-26-49(39(31)53)25-40(54)13-17-48(18-14-40)36(51)7-4-15-42-38(52)27-8-10-30-34(23-27)45-32-6-3-2-5-29(32)37(30)41/h8-11,23-24,26,54H,2-7,12-22,25H2,1H3,(H,42,52)(H,44,50)	CN1CCN(CCC(=O)Nc2ccc3c(=O)n(CC4(O)CCN(C(=O)CCCNC(=O)c5ccc6c(Cl)c7c(nc6c5)CCCC7)CC4)cnc3c2)CC1	CN1CCN(CCC(=O)Nc2ccc3c(=O)n(CC4(O)CCN(C(=O)CCCNC(=O)c5ccc6c(Cl)c7c(nc6c5)CCCC7)CC4)cnc3c2)CC1	SACRZNGEDRQWLW-UHFFFAOYSA-N	.
LDCM0778	WH_9943_176	.	.	785.39	C42H53ClN8O5	153	784.3827445	4.3968	56	3	10	13	InChI=1S/C42H53ClN8O5/c1-48-21-23-49(24-22-48)18-14-37(52)46-30-11-12-32-36(26-30)45-28-51(41(32)55)27-42(56)15-19-50(20-16-42)38(53)9-3-2-6-17-44-40(54)29-10-13-35-33(25-29)39(43)31-7-4-5-8-34(31)47-35/h10-13,25-26,28,56H,2-9,14-24,27H2,1H3,(H,44,54)(H,46,52)	CN1CCN(CCC(=O)Nc2ccc3c(=O)n(CC4(O)CCN(C(=O)CCCCCNC(=O)c5ccc6nc7c(c(Cl)c6c5)CCCC7)CC4)cnc3c2)CC1	CN1CCN(CCC(=O)Nc2ccc3c(=O)n(CC4(O)CCN(C(=O)CCCCCNC(=O)c5ccc6nc7c(c(Cl)c6c5)CCCC7)CC4)cnc3c2)CC1	VZJISODITGTLHR-UHFFFAOYSA-N	.
LDCM0779	XL_10320_197	.	.	822.367	C43H48ClN9O6	182.1	821.3416079	2.6851	59	4	11	13	InChI=1S/C43H48ClN9O6/c1-50-19-21-51(22-20-50)16-12-38(54)48-31-8-10-33-36(25-31)47-28-53(41(33)57)27-43(59)13-17-52(18-14-43)42(58)37(23-29-5-3-2-4-6-29)49-39(55)26-46-40(56)30-7-9-32-34(44)11-15-45-35(32)24-30/h2-11,15,24-25,28,37,59H,12-14,16-23,26-27H2,1H3,(H,46,56)(H,48,54)(H,49,55)/t37-/m1/s1	CN1CCN(CCC(=O)Nc2ccc3c(=O)n(CC4(O)CCN(C(=O)[C@@H](Cc5ccccc5)NC(=O)CNC(=O)c5ccc6c(Cl)ccnc6c5)CC4)cnc3c2)CC1	CN1CCN(CCC(=O)Nc2ccc3c(=O)n(CC4(O)CCN(C(=O)C(Cc5ccccc5)NC(=O)CNC(=O)c5ccc6c(Cl)ccnc6c5)CC4)cnc3c2)CC1	RZLVKIVXZCTTFD-DIPNUNPCSA-N	.
LDCM0780	XL_10320_65B	.	.	313.382	C16H15N3O2S	62.3	313.0884977	2.393	22	1	4	4	InChI=1S/C16H15N3O2S/c1-2-14(20)19-9-12(10-19)15(21)18-16-17-8-13(22-16)11-6-4-3-5-7-11/h2-8,12H,1,9-10H2,(H,17,18,21)	C=CC(=O)N1CC(C(=O)Nc2ncc(-c3ccccc3)s2)C1	C=CC(=O)N1CC(C(=O)Nc2ncc(-c3ccccc3)s2)C1	IIAZVERGPQMWFY-UHFFFAOYSA-N	.
LDCM0781	XL_10320_65C	.	.	284.344	C14H12N4OS	69.02	284.073182	2.16148	20	1	5	3	InChI=1S/C14H12N4OS/c15-9-18-7-11(8-18)13(19)17-14-16-6-12(20-14)10-4-2-1-3-5-10/h1-6,11H,7-8H2,(H,16,17,19)	N#CN1CC(C(=O)Nc2ncc(-c3ccccc3)s2)C1	N#CN1CC(C(=O)Nc2ncc(-c3ccccc3)s2)C1	ROSAKOSSJPPMSU-UHFFFAOYSA-N	.
LDCM0782	XL_10320_67A	.	.	337.832	C15H16ClN3O2S	65.46	337.0651754	2.0341	22	2	5	5	InChI=1S/C15H16ClN3O2S/c16-6-13(20)19-9-15(21,10-19)8-18-14-17-7-12(22-14)11-4-2-1-3-5-11/h1-5,7,21H,6,8-10H2,(H,17,18)	O=C(CCl)N1CC(O)(CNc2ncc(-c3ccccc3)s2)C1	O=C(CCl)N1CC(O)(CNc2ncc(-c3ccccc3)s2)C1	YPGMQJVXMMXAQX-UHFFFAOYSA-N	.
LDCM0783	XL_10320_67B	.	.	315.398	C16H17N3O2S	65.46	315.1041478	1.9813	22	2	5	5	InChI=1S/C16H17N3O2S/c1-2-14(20)19-10-16(21,11-19)9-18-15-17-8-13(22-15)12-6-4-3-5-7-12/h2-8,21H,1,9-11H2,(H,17,18)	C=CC(=O)N1CC(O)(CNc2ncc(-c3ccccc3)s2)C1	C=CC(=O)N1CC(O)(CNc2ncc(-c3ccccc3)s2)C1	CROPZSUPCKTRFY-UHFFFAOYSA-N	.
LDCM0784	XL_10320_67C	.	.	286.36	C14H14N4OS	72.18	286.0888321	1.74978	20	2	6	4	InChI=1S/C14H14N4OS/c15-10-18-8-14(19,9-18)7-17-13-16-6-12(20-13)11-4-2-1-3-5-11/h1-6,19H,7-9H2,(H,16,17)	N#CN1CC(O)(CNc2ncc(-c3ccccc3)s2)C1	N#CN1CC(O)(CNc2ncc(-c3ccccc3)s2)C1	FYOKUZLFLWSNFV-UHFFFAOYSA-N	.
LDCM0785	XL_10320_85A	.	.	365.886	C17H20ClN3O2S	65.46	365.0964756	2.8143	24	2	5	5	InChI=1S/C17H20ClN3O2S/c18-10-15(22)21-8-6-17(23,7-9-21)12-19-16-20-14(11-24-16)13-4-2-1-3-5-13/h1-5,11,23H,6-10,12H2,(H,19,20)	O=C(CCl)N1CCC(O)(CNc2nc(-c3ccccc3)cs2)CC1	O=C(CCl)N1CCC(O)(CNc2nc(-c3ccccc3)cs2)CC1	PHMQIFRWNCGMLN-UHFFFAOYSA-N	.
LDCM0786	XL_10320_85B	.	.	343.452	C18H21N3O2S	65.46	343.1354479	2.7615	24	2	5	5	InChI=1S/C18H21N3O2S/c1-2-16(22)21-10-8-18(23,9-11-21)13-19-17-20-15(12-24-17)14-6-4-3-5-7-14/h2-7,12,23H,1,8-11,13H2,(H,19,20)	C=CC(=O)N1CCC(O)(CNc2nc(-c3ccccc3)cs2)CC1	C=CC(=O)N1CCC(O)(CNc2nc(-c3ccccc3)cs2)CC1	LZTHDXQPBPUDCA-UHFFFAOYSA-N	.
LDCM0787	XL_10320_85C	.	.	314.414	C16H18N4OS	72.18	314.1201322	2.52998	22	2	6	4	InChI=1S/C16H18N4OS/c17-12-20-8-6-16(21,7-9-20)11-18-15-19-14(10-22-15)13-4-2-1-3-5-13/h1-5,10,21H,6-9,11H2,(H,18,19)	N#CN1CCC(O)(CNc2nc(-c3ccccc3)cs2)CC1	N#CN1CCC(O)(CNc2nc(-c3ccccc3)cs2)CC1	LVGQENLSEGUNDE-UHFFFAOYSA-N	.
LDCM0788	XL_10320_86A	.	.	334.807	C16H19ClN4O2	78.35	334.1196535	1.634	23	2	5	4	InChI=1S/C16H19ClN4O2/c17-9-14(22)21-7-5-16(23,6-8-21)10-18-15-12-3-1-2-4-13(12)19-11-20-15/h1-4,11,23H,5-10H2,(H,18,19,20)	O=C(CCl)N1CCC(O)(CNc2ncnc3ccccc23)CC1	O=C(CCl)N1CCC(O)(CNc2ncnc3ccccc23)CC1	PZXGWWHPIYRUHU-UHFFFAOYSA-N	.
LDCM0789	XL_10320_86B	.	.	312.373	C17H20N4O2	78.35	312.1586259	1.5812	23	2	5	4	InChI=1S/C17H20N4O2/c1-2-15(22)21-9-7-17(23,8-10-21)11-18-16-13-5-3-4-6-14(13)19-12-20-16/h2-6,12,23H,1,7-11H2,(H,18,19,20)	C=CC(=O)N1CCC(O)(CNc2ncnc3ccccc23)CC1	C=CC(=O)N1CCC(O)(CNc2ncnc3ccccc23)CC1	YRMOJKLMZHNACC-UHFFFAOYSA-N	.
LDCM0790	XL_10320_86C	.	.	283.335	C15H17N5O	85.07	283.1433102	1.34968	21	2	6	3	InChI=1S/C15H17N5O/c16-10-20-7-5-15(21,6-8-20)9-17-14-12-3-1-2-4-13(12)18-11-19-14/h1-4,11,21H,5-9H2,(H,17,18,19)	N#CN1CCC(O)(CNc2ncnc3ccccc23)CC1	N#CN1CCC(O)(CNc2ncnc3ccccc23)CC1	VVIBZFZWTMMZEY-UHFFFAOYSA-N	.
LDCM0791	200705	.	.	308.168	C14H11Cl2N3O	46.92	307.0279173	3.11832	20	1	3	3	InChI=1S/C14H11Cl2N3O/c1-3-14(20)17-13-6-9(2)19(18-13)8-10-4-5-11(15)7-12(10)16/h1,4-7H,8H2,2H3,(H,17,18,20)	C#CC(=O)Nc1cc(C)n(Cc2ccc(Cl)cc2Cl)n1	C#CC(=O)Nc1cc(C)n(Cc2ccc(Cl)cc2Cl)n1	LHPCMCFZIGKVFL-UHFFFAOYSA-N	.
LDCM0792	200722	.	.	262.353	C15H22N2O2	40.62	262.1681279	1.2608	19	0	2	1	InChI=1S/C15H22N2O2/c1-2-14(18)17-11-7-8-13(12-17)15(19)16-9-5-3-4-6-10-16/h1,13H,3-12H2	C#CC(=O)N1CCCC(C(=O)N2CCCCCC2)C1	C#CC(=O)N1CCCC(C(=O)N2CCCCCC2)C1	AECWTGDLPDAFEC-UHFFFAOYSA-N	.
LDCM0793	200769	.	.	249.295	C11H11N3O2S	63.99	249.0571976	1.7575	17	1	4	4	InChI=1S/C11H11N3O2S/c1-2-17(15,16)13-11-8-9-14(12-11)10-6-4-3-5-7-10/h2-9H,1H2,(H,12,13)	C=CS(=O)(=O)Nc1ccn(-c2ccccc2)n1	C=CS(=O)(=O)Nc1ccn(-c2ccccc2)n1	KXQGOBIGSKJTKH-UHFFFAOYSA-N	.
LDCM0794	507524	.	.	367.28	C17H20Cl2N4O	50.16	366.1014166	3.60292	24	1	4	6	InChI=1S/C17H20Cl2N4O/c1-12-9-16(20-17(24)5-4-8-22(2)3)21-23(12)11-13-6-7-14(18)15(19)10-13/h4-7,9-10H,8,11H2,1-3H3,(H,20,21,24)/b5-4+	Cc1cc(NC(=O)/C=C/CN(C)C)nn1Cc1ccc(Cl)c(Cl)c1	Cc1cc(NC(=O)C=CCN(C)C)nn1Cc1ccc(Cl)c(Cl)c1	KJFUTXZTLFMYDO-SNAWJCMRSA-N	.
LDCM0795	510330	.	.	254.293	C14H14N4O	69.02	254.1167611	0.67148	19	1	4	2	InChI=1S/C14H14N4O/c1-2-13(19)17-12-5-8-18(9-6-12)14-11(10-15)4-3-7-16-14/h1,3-4,7,12H,5-6,8-9H2,(H,17,19)	C#CC(=O)NC1CCN(c2ncccc2C#N)CC1	C#CC(=O)NC1CCN(c2ncccc2C#N)CC1	LLQAKVBKSRYUFD-UHFFFAOYSA-N	.
LDCM0796	510360	.	.	232.287	C12H16N4O	59.81	232.1324111	1.0327	17	1	4	3	InChI=1S/C12H16N4O/c1-2-12(17)13-8-11-15-14-9-16(11)10-6-4-3-5-7-10/h1,9-10H,3-8H2,(H,13,17)	C#CC(=O)NCc1nncn1C1CCCCC1	C#CC(=O)NCc1nncn1C1CCCCC1	JUYWXPWFNQFPEH-UHFFFAOYSA-N	.
LDCM0797	510381	.	.	291.376	C14H17N3O2S	63.99	291.1041478	2.43344	20	1	4	5	InChI=1S/C14H17N3O2S/c1-4-20(18,19)16-14-9-12(3)17(15-14)10-13-7-5-6-11(2)8-13/h4-9H,1,10H2,2-3H3,(H,15,16)	C=CS(=O)(=O)Nc1cc(C)n(Cc2cccc(C)c2)n1	C=CS(=O)(=O)Nc1cc(C)n(Cc2cccc(C)c2)n1	ZPTLVICARKIWIT-UHFFFAOYSA-N	.
LDCM0798	510566	.	.	294.185	C14H13Cl2N3	29.85	293.0486528	3.59172	19	1	3	4	InChI=1S/C14H13Cl2N3/c1-3-6-17-14-7-10(2)19(18-14)9-11-4-5-12(15)13(16)8-11/h1,4-5,7-8H,6,9H2,2H3,(H,17,18)	C#CCNc1cc(C)n(Cc2ccc(Cl)c(Cl)c2)n1	C#CCNc1cc(C)n(Cc2ccc(Cl)c(Cl)c2)n1	DTTVHWARPWAGDN-UHFFFAOYSA-N	.
LDCM0799	513775	.	.	257.333	C16H19NO2	38.33	257.1415788	2.2564	19	1	2	4	InChI=1S/C16H19NO2/c1-3-15(18)17-12-16(10-4-5-11-16)13-6-8-14(19-2)9-7-13/h1,6-9H,4-5,10-12H2,2H3,(H,17,18)	C#CC(=O)NCC1(c2ccc(OC)cc2)CCCC1	C#CC(=O)NCC1(c2ccc(OC)cc2)CCCC1	PBBXARJLPBDHGL-UHFFFAOYSA-N	.
LDCM0800	513801	.	.	233.271	C12H15N3O2	59.23	233.1164267	1.4897	17	0	4	2	InChI=1S/C12H15N3O2/c1-4-10(16)15-7-5-6-9(15)12-13-11(8(2)3)14-17-12/h1,8-9H,5-7H2,2-3H3	C#CC(=O)N1CCCC1c1nc(C(C)C)no1	C#CC(=O)N1CCCC1c1nc(C(C)C)no1	CFAQGFJGESMPMU-UHFFFAOYSA-N	.
LDCM0801	513842	.	.	296.157	C13H11Cl2N3O	46.92	295.0279173	3.3627	19	1	3	4	InChI=1S/C13H11Cl2N3O/c1-2-13(19)17-10-6-16-18(8-10)7-9-3-4-11(14)12(15)5-9/h2-6,8H,1,7H2,(H,17,19)	C=CC(=O)Nc1cnn(Cc2ccc(Cl)c(Cl)c2)c1	C=CC(=O)Nc1cnn(Cc2ccc(Cl)c(Cl)c2)c1	BHGHLALGBDIGDT-UHFFFAOYSA-N	.
LDCM0802	815584	.	.	346.239	C13H13Cl2N3O2S	63.99	345.010553	3.43182	21	1	4	5	InChI=1S/C13H13Cl2N3O2S/c1-3-21(19,20)17-13-6-9(2)18(16-13)8-10-4-5-11(14)12(15)7-10/h3-7H,1,8H2,2H3,(H,16,17)	C=CS(=O)(=O)Nc1cc(C)n(Cc2ccc(Cl)c(Cl)c2)n1	C=CS(=O)(=O)Nc1cc(C)n(Cc2ccc(Cl)c(Cl)c2)n1	KKGKWVPXJYPAEW-UHFFFAOYSA-N	.
LDCM0803	815670	.	.	252.317	C16H16N2O	41.99	252.1262631	3.48994	19	1	2	3	InChI=1S/C16H16N2O/c1-4-16(19)18-15-10-14(11(2)12(3)17-15)13-8-6-5-7-9-13/h4-10H,1H2,2-3H3,(H,17,18,19)	C=CC(=O)Nc1cc(-c2ccccc2)c(C)c(C)n1	C=CC(=O)Nc1cc(-c2ccccc2)c(C)c(C)n1	WOOOIJCDCRVERV-UHFFFAOYSA-N	.
LDCM0804	815687	.	.	354.431	C19H18N2O3S	70.5	354.1038134	3.4159	25	1	4	6	InChI=1S/C19H18N2O3S/c1-2-25(23,24)21(13-15-8-4-3-5-9-15)14-17-12-16-10-6-7-11-18(16)20-19(17)22/h2-12H,1,13-14H2,(H,20,22)	C=CS(=O)(=O)N(Cc1ccccc1)Cc1cc2ccccc2nc1O	C=CS(=O)(=O)N(Cc1ccccc1)Cc1cc2ccccc2nc1O	ZKARKVAWKGUMAT-UHFFFAOYSA-N	.
LDCM0805	XL_9872_106C	.	.	367.434	C18H17N5O2S	95.05	367.1102958	3.30962	26	1	7	3	InChI=1S/C18H17N5O2S/c1-10-15(11(2)25-22-10)13-4-3-5-14-16(13)26-18(20-14)21-17(24)12-6-7-23(8-12)9-19/h3-5,12H,6-8H2,1-2H3,(H,20,21,24)/t12-/m0/s1	Cc1noc(C)c1-c1cccc2nc(NC(=O)[C@H]3CCN(C#N)C3)sc12	Cc1noc(C)c1-c1cccc2nc(NC(=O)C3CCN(C#N)C3)sc12	DTRCBYPVTOYMNJ-LBPRGKRZSA-N	.
LDCM0806	F26	.	.	314.433	C18H26N4O	59.37	314.2106615	1.81778	23	1	4	8	InChI=1S/C18H26N4O/c1-2-21(13-16-7-4-3-5-8-16)11-6-10-20-18(23)17-9-12-22(14-17)15-19/h3-5,7-8,17H,2,6,9-14H2,1H3,(H,20,23)/t17-/m0/s1	CCN(CCCNC(=O)[C@H]1CCN(C#N)C1)Cc1ccccc1	CCN(CCCNC(=O)C1CCN(C#N)C1)Cc1ccccc1	HEAMPWFUGRVTHD-KRWDZBQOSA-N	.
LDCM0807	F41	.	.	303.326	C13H17N7O2	107.15	303.1443728	-0.61832	22	1	7	2	InChI=1S/C13H17N7O2/c1-9(21)19-4-5-20-11(7-19)15-13(17-20)16-12(22)10-2-3-18(6-10)8-14/h10H,2-7H2,1H3,(H,16,17,22)/t10-/m0/s1	CC(=O)N1CCn2nc(NC(=O)[C@H]3CCN(C#N)C3)nc2C1	CC(=O)N1CCn2nc(NC(=O)C3CCN(C#N)C3)nc2C1	HVQNUDXXFIAAKQ-JTQLQIEISA-N	.
LDCM0808	F42	.	.	365.397	C18H19N7O2	107.15	365.1600228	0.67558	27	1	7	3	InChI=1S/C18H19N7O2/c19-12-23-7-6-14(10-23)16(26)21-18-20-15-11-24(8-9-25(15)22-18)17(27)13-4-2-1-3-5-13/h1-5,14H,6-11H2,(H,21,22,26)/t14-/m0/s1	N#CN1CC[C@H](C(=O)Nc2nc3n(n2)CCN(C(=O)c2ccccc2)C3)C1	N#CN1CCC(C(=O)Nc2nc3n(n2)CCN(C(=O)c2ccccc2)C3)C1	HRDNMLJCFSKTHH-AWEZNQCLSA-N	.
LDCM0809	F43	.	.	351.414	C18H21N7O	90.08	351.1807583	1.03538	26	1	7	4	InChI=1S/C18H21N7O/c19-13-24-7-6-15(11-24)17(26)21-18-20-16-12-23(8-9-25(16)22-18)10-14-4-2-1-3-5-14/h1-5,15H,6-12H2,(H,21,22,26)	N#CN1CCC(C(=O)Nc2nc3n(n2)CCN(Cc2ccccc2)C3)C1	N#CN1CCC(C(=O)Nc2nc3n(n2)CCN(Cc2ccccc2)C3)C1	XLDISTRIMKRAKR-UHFFFAOYSA-N	.
LDCM0810	F44	.	.	270.336	C15H18N4O	58.95	270.1480612	1.4794	20	2	4	4	InChI=1S/C15H18N4O/c20-15(13-6-7-16-8-13)18-14-10-19(11-17-14)9-12-4-2-1-3-5-12/h1-5,10-11,13,16H,6-9H2,(H,18,20)/t13-/m0/s1	O=C(Nc1cn(Cc2ccccc2)cn1)[C@H]1CCNC1	O=C(Nc1cn(Cc2ccccc2)cn1)C1CCNC1	NSLJLYLOIBOZLX-ZDUSSCGKSA-N	.
LDCM0811	F45	.	.	330.363	C17H19FN4O2	67.23	330.1492041	1.6879	24	1	4	5	InChI=1S/C17H19FN4O2/c18-8-16(23)22-7-6-14(10-22)17(24)20-15-11-21(12-19-15)9-13-4-2-1-3-5-13/h1-5,11-12,14H,6-10H2,(H,20,24)/t14-/m0/s1	O=C(Nc1cn(Cc2ccccc2)cn1)[C@H]1CCN(C(=O)CF)C1	O=C(Nc1cn(Cc2ccccc2)cn1)C1CCN(C(=O)CF)C1	GPNGYCQSQPZRFS-AWEZNQCLSA-N	.
LDCM0812	B67	.	.	315.775	C18H15ClFNO	20.31	315.08262	4.0772	22	0	1	2	InChI=1S/C18H15ClFNO/c19-16-6-3-7-17(20)15(16)8-9-18(22)21-11-10-13-4-1-2-5-14(13)12-21/h1-9H,10-12H2/b9-8+	O=C(/C=C/c1c(F)cccc1Cl)N1CCc2ccccc2C1	O=C(C=Cc1c(F)cccc1Cl)N1CCc2ccccc2C1	HMEJDUDIQGBHEB-CMDGGOBGSA-N	.
LDCM0813	F46 	.	.	294.358	C17H18N4O	61.06	294.1480612	2.27788	22	1	4	4	InChI=1S/C17H18N4O/c18-13-21-8-6-15(11-21)17(22)19-16-7-9-20(12-16)10-14-4-2-1-3-5-14/h1-5,7,9,12,15H,6,8,10-11H2,(H,19,22)/t15-/m0/s1	N#CN1CC[C@H](C(=O)Nc2ccn(Cc3ccccc3)c2)C1	N#CN1CCC(C(=O)Nc2ccn(Cc3ccccc3)c2)C1	LFNRANSLCDWMQH-HNNXBMFYSA-N	.
LDCM0814	XL_9872_056	.	.	233.267	C13H15NO3	55.4	233.1051933	1.4221	17	1	3	5	InChI=1S/C13H15NO3/c1-2-17-13(16)9-8-12(15)14-10-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3,(H,14,15)/b9-8+	CCOC(=O)/C=C/C(=O)NCc1ccccc1	CCOC(=O)C=CC(=O)NCc1ccccc1	MFHBAGLBWOXEEE-CMDGGOBGSA-N	.
LDCM0815	F57	.	.	295.346	C16H17N5O	73.95	295.1433102	1.67288	22	1	5	4	InChI=1S/C16H17N5O/c17-11-20-7-6-14(9-20)16(22)19-15-10-21(12-18-15)8-13-4-2-1-3-5-13/h1-5,10,12,14H,6-9H2,(H,19,22)/t14-/m1/s1	N#CN1CC[C@@H](C(=O)Nc2cn(Cc3ccccc3)cn2)C1	N#CN1CCC(C(=O)Nc2cn(Cc3ccccc3)cn2)C1	SZHUYGLQCAIUAC-CQSZACIVSA-N	.
LDCM0816	F58	.	.	295.346	C16H17N5O	73.95	295.1433102	1.67288	22	1	5	4	InChI=1S/C16H17N5O/c17-11-20-7-6-14(9-20)16(22)19-15-10-21(12-18-15)8-13-4-2-1-3-5-13/h1-5,10,12,14H,6-9H2,(H,19,22)/t14-/m1/s1	N#CN1CC[C@@H](C(=O)Nc2cn(Cc3ccccc3)cn2)C1	N#CN1CCC(C(=O)Nc2cn(Cc3ccccc3)cn2)C1	SZHUYGLQCAIUAC-CQSZACIVSA-N	.
LDCM0817	F62	.	.	281.319	C15H15N5O	73.95	281.1276601	1.61378	21	1	5	3	InChI=1S/C15H15N5O/c16-10-19-7-6-12(8-19)15(21)18-14-9-20(11-17-14)13-4-2-1-3-5-13/h1-5,9,11-12H,6-8H2,(H,18,21)/t12-/m0/s1	N#CN1CC[C@H](C(=O)Nc2cn(-c3ccccc3)cn2)C1	N#CN1CCC(C(=O)Nc2cn(-c3ccccc3)cn2)C1	PGNBDGAYAAAPKW-LBPRGKRZSA-N	.
LDCM0818	F63	.	.	392.463	C21H24N6O2	94.26	392.196074	2.10188	29	1	6	4	InChI=1S/C21H24N6O2/c22-14-25-10-8-17(11-25)20(28)24-19-13-27(15-23-19)18-7-4-9-26(12-18)21(29)16-5-2-1-3-6-16/h1-3,5-6,13,15,17-18H,4,7-12H2,(H,24,28)/t17-,18?/m0/s1	N#CN1CC[C@H](C(=O)Nc2cn(C3CCCN(C(=O)c4ccccc4)C3)cn2)C1	N#CN1CCC(C(=O)Nc2cn(C3CCCN(C(=O)c4ccccc4)C3)cn2)C1	DAVSYRJECGSSFM-ZENAZSQFSA-N	.
LDCM0819	F71	.	.	367.434	C18H17N5O2S	95.05	367.1102958	3.30962	26	1	7	3	InChI=1S/C18H17N5O2S/c1-10-16(11(2)25-22-10)12-3-4-14-15(7-12)26-18(20-14)21-17(24)13-5-6-23(8-13)9-19/h3-4,7,13H,5-6,8H2,1-2H3,(H,20,21,24)/t13-/m1/s1	Cc1noc(C)c1-c1ccc2nc(NC(=O)[C@@H]3CCN(C#N)C3)sc2c1	Cc1noc(C)c1-c1ccc2nc(NC(=O)C3CCN(C#N)C3)sc2c1	CATDKEATHRRIOI-CYBMUJFWSA-N	.
LDCM0820	F72	.	.	381.461	C19H19N5O2S	89.33	381.1259458	2.08308	27	1	6	3	InChI=1S/C19H19N5O2S/c20-12-23-8-6-14(10-23)17(25)22-19-21-15-7-9-24(11-16(15)27-19)18(26)13-4-2-1-3-5-13/h1-5,14H,6-11H2,(H,21,22,25)/t14-/m0/s1	N#CN1CC[C@H](C(=O)Nc2nc3c(s2)CN(C(=O)c2ccccc2)CC3)C1	N#CN1CCC(C(=O)Nc2nc3c(s2)CN(C(=O)c2ccccc2)CC3)C1	UCDHMEQBKFBKBF-AWEZNQCLSA-N	.
LDCM0821	F73	.	.	361.405	C20H19N5O2	95.05	361.1538748	3.24812	27	1	6	3	InChI=1S/C20H19N5O2/c1-12-19(13(2)27-24-12)14-3-4-15-9-22-18(8-17(15)7-14)23-20(26)16-5-6-25(10-16)11-21/h3-4,7-9,16H,5-6,10H2,1-2H3,(H,22,23,26)/t16-/m0/s1	Cc1noc(C)c1-c1ccc2cnc(NC(=O)[C@H]3CCN(C#N)C3)cc2c1	Cc1noc(C)c1-c1ccc2cnc(NC(=O)C3CCN(C#N)C3)cc2c1	SNRMHOOITNXBGT-INIZCTEOSA-N	.
LDCM0822	F74	.	.	375.354	C18H16F3N5O	76.02	375.1306948	2.93008	27	1	4	2	InChI=1S/C18H16F3N5O/c19-18(20,21)16-13(9-23-24-16)11-3-1-4-14-12(11)6-8-26(14)17(27)15-5-2-7-25(15)10-22/h1,3-4,9,15H,2,5-8H2,(H,23,24)/t15-/m0/s1	N#CN1CCC[C@H]1C(=O)N1CCc2c(-c3cn[nH]c3C(F)(F)F)cccc21	N#CN1CCCC1C(=O)N1CCc2c(-c3cn[nH]c3C(F)(F)F)cccc21	AIDJSSPSMPDBMV-HNNXBMFYSA-N	.
LDCM0823	F75	.	.	393.344	C18H15F4N5O	76.02	393.121273	2.87808	28	1	4	2	InChI=1S/C18H15F4N5O/c19-10-6-15(26(8-10)9-23)17(28)27-5-4-12-11(2-1-3-14(12)27)13-7-24-25-16(13)18(20,21)22/h1-3,7,10,15H,4-6,8H2,(H,24,25)/t10-,15-/m0/s1	N#CN1C[C@@H](F)C[C@H]1C(=O)N1CCc2c(-c3cn[nH]c3C(F)(F)F)cccc21	N#CN1CC(F)CC1C(=O)N1CCc2c(-c3cn[nH]c3C(F)(F)F)cccc21	AHCBJXSHVXHGHF-BONVTDFDSA-N	.
LDCM0824	F76	.	.	356.386	C16H13FN6OS	96.91	356.0855583	1.93306	25	0	7	3	InChI=1S/C16H13FN6OS/c1-22(15(24)14-5-10(17)7-23(14)9-19)16-21-13(8-25-16)12-4-2-3-11(6-18)20-12/h2-4,8,10,14H,5,7H2,1H3/t10-,14-/m0/s1	CN(C(=O)[C@@H]1C[C@H](F)CN1C#N)c1nc(-c2cccc(C#N)n2)cs1	CN(C(=O)C1CC(F)CN1C#N)c1nc(-c2cccc(C#N)n2)cs1	AOHORAJVAKVDGM-HZMBPMFUSA-N	.
LDCM0825	Pin-1-3	.	.	281.805	C11H20ClNO3S	54.45	281.0852422	1.287	17	0	3	3	InChI=1S/C11H20ClNO3S/c1-11(2,3)8-13(10(14)6-12)9-4-5-17(15,16)7-9/h9H,4-8H2,1-3H3	CC(C)(C)CN(C(=O)CCl)C1CCS(=O)(=O)C1	CC(C)(C)CN(C(=O)CCl)C1CCS(=O)(=O)C1	NMHVAHHYKGXBMY-UHFFFAOYSA-N	.
LDCM0826	AC_10180_018	.	.	294.354	C18H18N2O2	58.2	294.1368278	2.1754	22	2	2	6	InChI=1S/C18H18N2O2/c21-17(19-13-15-7-3-1-4-8-15)11-12-18(22)20-14-16-9-5-2-6-10-16/h1-12H,13-14H2,(H,19,21)(H,20,22)/b12-11+	O=C(/C=C/C(=O)NCc1ccccc1)NCc1ccccc1	O=C(C=CC(=O)NCc1ccccc1)NCc1ccccc1	JOHDNFYFYZOWPY-VAWYXSNFSA-N	.
LDCM0827	SB1-B-58	.	.	359.393	C19H17N7O	109.73	359.1494582	2.2229	27	3	6	1	InChI=1S/C19H17N7O/c1-11-2-3-14-13(8-22-25-14)16(11)12-6-15-17(21-7-12)24-19(18(27)23-15)4-5-26(9-19)10-20/h2-3,6-8H,4-5,9H2,1H3,(H,21,24)(H,22,25)(H,23,27)	Cc1ccc2[nH]ncc2c1-c1cnc2c(c1)NC(=O)C1(CCN(C#N)C1)N2	Cc1ccc2[nH]ncc2c1-c1cnc2c(c1)NC(=O)C1(CCN(C#N)C1)N2	VVVXXUXVCSSAOM-UHFFFAOYSA-N	.
LDCM0828	F23	.	.	312.398	C16H16N4OS	69.02	312.1044821	2.91518	22	1	5	3	InChI=1S/C16H16N4OS/c17-9-20-6-5-12(8-20)15(21)19-16-18-13-4-3-11(10-1-2-10)7-14(13)22-16/h3-4,7,10,12H,1-2,5-6,8H2,(H,18,19,21)/t12-/m0/s1	N#CN1CC[C@H](C(=O)Nc2nc3ccc(C4CC4)cc3s2)C1	N#CN1CCC(C(=O)Nc2nc3ccc(C4CC4)cc3s2)C1	ZXNLZALQOWYWMY-LBPRGKRZSA-N	.
LDCM0829	F59	.	.	309.373	C17H19N5O	73.95	309.1589602	2.06138	23	1	5	4	InChI=1S/C17H19N5O/c1-13-15(7-8-22(13)11-18)17(23)20-16-10-21(12-19-16)9-14-5-3-2-4-6-14/h2-6,10,12-13,15H,7-9H2,1H3,(H,20,23)/t13-,15-/m0/s1	C[C@H]1[C@@H](C(=O)Nc2cn(Cc3ccccc3)cn2)CCN1C#N	CC1C(C(=O)Nc2cn(Cc3ccccc3)cn2)CCN1C#N	IGWWDQJUTZXMQM-ZFWWWQNUSA-N	.
LDCM0830	 XL_9872_106A	.	.	367.434	C18H17N5O2S	95.05	367.1102958	3.30962	26	1	7	3	InChI=1S/C18H17N5O2S/c1-10-15(11(2)25-22-10)13-4-3-5-14-16(13)20-18(26-14)21-17(24)12-6-7-23(8-12)9-19/h3-5,12H,6-8H2,1-2H3,(H,20,21,24)/t12-/m0/s1	Cc1noc(C)c1-c1cccc2sc(NC(=O)[C@H]3CCN(C#N)C3)nc12	Cc1noc(C)c1-c1cccc2sc(NC(=O)C3CCN(C#N)C3)nc12	XLMCXFJFZQIHKM-LBPRGKRZSA-N	.
LDCM0831	XL_9872_106B	.	.	367.434	C18H17N5O2S	95.05	367.1102958	3.30962	26	1	7	3	InChI=1S/C18H17N5O2S/c1-10-16(11(2)25-22-10)12-3-4-15-14(7-12)20-18(26-15)21-17(24)13-5-6-23(8-13)9-19/h3-4,7,13H,5-6,8H2,1-2H3,(H,20,21,24)/t13-/m0/s1	Cc1noc(C)c1-c1ccc2sc(NC(=O)[C@H]3CCN(C#N)C3)nc2c1	Cc1noc(C)c1-c1ccc2sc(NC(=O)C3CCN(C#N)C3)nc2c1	RXOPPDOJNYHXIT-ZDUSSCGKSA-N	.
LDCM0832	XL_9872_111B	.	.	428.521	C23H20N6OS	86.84	428.1419303	3.94958	31	1	7	5	InChI=1S/C23H20N6OS/c24-15-28-9-8-18(13-28)22(30)27-23-26-20-7-6-17(10-21(20)31-23)19-11-25-29(14-19)12-16-4-2-1-3-5-16/h1-7,10-11,14,18H,8-9,12-13H2,(H,26,27,30)/t18-/m1/s1	N#CN1CC[C@@H](C(=O)Nc2nc3ccc(-c4cnn(Cc5ccccc5)c4)cc3s2)C1	N#CN1CCC(C(=O)Nc2nc3ccc(-c4cnn(Cc5ccccc5)c4)cc3s2)C1	IXAOFUUSSGAZGL-GOSISDBHSA-N	.
LDCM0833	XL_9872_111F	.	.	366.45	C18H18N6OS	86.84	366.1262802	2.92118	26	1	7	4	InChI=1S/C18H18N6OS/c1-2-24-10-14(8-20-24)12-3-4-15-16(7-12)26-18(21-15)22-17(25)13-5-6-23(9-13)11-19/h3-4,7-8,10,13H,2,5-6,9H2,1H3,(H,21,22,25)/t13-/m1/s1	CCn1cc(-c2ccc3nc(NC(=O)[C@@H]4CCN(C#N)C4)sc3c2)cn1	CCn1cc(-c2ccc3nc(NC(=O)C4CCN(C#N)C4)sc3c2)cn1	NYDGGNBXYQCMGR-CYBMUJFWSA-N	.
LDCM0834	DKM 2-31	.	.	161.204	C10H11NO	29.1	161.084064	1.4888	12	1	1	3	InChI=1S/C10H11NO/c1-2-10(12)11-8-9-6-4-3-5-7-9/h2-7H,1,8H2,(H,11,12)	C=CC(=O)NCc1ccccc1	C=CC(=O)NCc1ccccc1	OHLHOLGYGRKZMU-UHFFFAOYSA-N	.
LDCM0835	DKM 2-32	.	.	203.285	C13H17NO	29.1	203.1310142	2.3099	15	1	1	5	InChI=1S/C13H17NO/c1-3-13(15)14-11(2)9-10-12-7-5-4-6-8-12/h3-8,11H,1,9-10H2,2H3,(H,14,15)	C=CC(=O)NC(C)CCc1ccccc1	C=CC(=O)NC(C)CCc1ccccc1	RGYUTQYBPYGEPW-UHFFFAOYSA-N	.
LDCM0836	DKM 2-33	.	.	191.23	C11H13NO2	38.33	191.0946287	1.4974	14	1	2	4	InChI=1S/C11H13NO2/c1-3-11(13)12-8-9-4-6-10(14-2)7-5-9/h3-7H,1,8H2,2H3,(H,12,13)	C=CC(=O)NCc1ccc(OC)cc1	C=CC(=O)NCc1ccc(OC)cc1	OZRCAHXQCJTFMS-UHFFFAOYSA-N	.
LDCM0837	DKM 2-34	.	.	179.194	C10H10FNO	29.1	179.0746422	1.6279	13	1	1	3	InChI=1S/C10H10FNO/c1-2-10(13)12-7-8-3-5-9(11)6-4-8/h2-6H,1,7H2,(H,12,13)	C=CC(=O)NCc1ccc(F)cc1	C=CC(=O)NCc1ccc(F)cc1	JUDUJOWHIMYLRZ-UHFFFAOYSA-N	.
LDCM0838	DKM 2-37	.	.	237.302	C16H15NO	29.1	237.1153641	3.1558	18	1	1	4	InChI=1S/C16H15NO/c1-2-16(18)17-12-13-8-10-15(11-9-13)14-6-4-3-5-7-14/h2-11H,1,12H2,(H,17,18)	C=CC(=O)NCc1ccc(-c2ccccc2)cc1	C=CC(=O)NCc1ccc(-c2ccccc2)cc1	HWPNOAUIBIEYHN-UHFFFAOYSA-N	.
LDCM0839	DKM 2-39	.	.	212.249	C10H16N2O3	49.85	212.1160924	0.4731	15	0	3	2	InChI=1S/C10H16N2O3/c1-3-9(13)11-5-7-12(8-6-11)10(14)15-4-2/h3H,1,4-8H2,2H3	C=CC(=O)N1CCN(C(=O)OCC)CC1	C=CC(=O)N1CCN(C(=O)OCC)CC1	ZPXZPQJZNVHSNX-UHFFFAOYSA-N	.
LDCM0840	DKM 2-40	.	.	183.157	C9H7F2NO	29.1	183.0495703	2.0893	13	1	1	2	InChI=1S/C9H7F2NO/c1-2-9(13)12-8-5-6(10)3-4-7(8)11/h2-5H,1H2,(H,12,13)	C=CC(=O)Nc1cc(F)ccc1F	C=CC(=O)Nc1cc(F)ccc1F	FNWMADGMORIOSY-UHFFFAOYSA-N	.
LDCM0841	DKM 2-42	.	.	175.231	C11H13NO	29.1	175.099714	1.5313	13	1	1	4	InChI=1S/C11H13NO/c1-2-11(13)12-9-8-10-6-4-3-5-7-10/h2-7H,1,8-9H2,(H,12,13)	C=CC(=O)NCCc1ccccc1	C=CC(=O)NCCc1ccccc1	YMRDXPCIIDUQFY-UHFFFAOYSA-N	.
LDCM0842	DKM 2-43	.	.	240.1	C10H10BrNO	29.1	238.994576	2.2513	13	1	1	3	InChI=1S/C10H10BrNO/c1-2-10(13)12-7-8-3-5-9(11)6-4-8/h2-6H,1,7H2,(H,12,13)	C=CC(=O)NCc1ccc(Br)cc1	C=CC(=O)NCc1ccc(Br)cc1	DXNWOQPYTAASAH-UHFFFAOYSA-N	.
LDCM0843	DKM 2-47	.	.	189.258	C12H15NO	29.1	189.1153641	2.10564	14	1	1	3	InChI=1S/C12H15NO/c1-4-12(14)13-8-11-6-9(2)5-10(3)7-11/h4-7H,1,8H2,2-3H3,(H,13,14)	C=CC(=O)NCc1cc(C)cc(C)c1	C=CC(=O)NCc1cc(C)cc(C)c1	YIOYAVRYOGBHED-UHFFFAOYSA-N	.
LDCM0844	DKM 2-48	.	.	125.171	C7H11NO	20.31	125.084064	0.7948	9	0	1	1	InChI=1S/C7H11NO/c1-2-7(9)8-5-3-4-6-8/h2H,1,3-6H2	C=CC(=O)N1CCCC1	C=CC(=O)N1CCCC1	WLPAQAXAZQUXBG-UHFFFAOYSA-N	.
LDCM0845	DKM 2-49	.	.	141.17	C7H11NO2	29.54	141.0789786	0.0312	10	0	2	1	InChI=1S/C7H11NO2/c1-2-7(9)8-3-5-10-6-4-8/h2H,1,3-6H2	C=CC(=O)N1CCOCC1	C=CC(=O)N1CCOCC1	XLPJNCYCZORXHG-UHFFFAOYSA-N	.
LDCM0846	DKM 2-50	.	.	189.258	C12H15NO	29.1	189.1153641	1.9214	14	1	1	5	InChI=1S/C12H15NO/c1-2-12(14)13-10-6-9-11-7-4-3-5-8-11/h2-5,7-8H,1,6,9-10H2,(H,13,14)	C=CC(=O)NCCCc1ccccc1	C=CC(=O)NCCCc1ccccc1	POISSIQZPWYXGF-UHFFFAOYSA-N	.
LDCM0847	TRH 1-12	.	.	211.349	C13H25NO	29.1	211.1936144	3.4293	15	1	1	10	InChI=1S/C13H25NO/c1-3-5-6-7-8-9-10-11-12-14-13(15)4-2/h4H,2-3,5-12H2,1H3,(H,14,15)	C=CC(=O)NCCCCCCCCCC	C=CC(=O)NCCCCCCCCCC	AWDYCSUWSUENQK-UHFFFAOYSA-N	.
LDCM0848	TRH 1-13	.	.	221.256	C12H15NO3	47.56	221.1051933	1.506	16	1	3	5	InChI=1S/C12H15NO3/c1-4-12(14)13-8-9-5-6-10(15-2)7-11(9)16-3/h4-7H,1,8H2,2-3H3,(H,13,14)	C=CC(=O)NCc1ccc(OC)cc1OC	C=CC(=O)NCc1ccc(OC)cc1OC	PYHKLACLWOOZEV-UHFFFAOYSA-N	.
LDCM0849	DKM 2-58	.	.	221.256	C12H15NO3	47.56	221.1051933	1.3762	16	1	3	6	InChI=1S/C12H15NO3/c1-3-12(14)13-8-9-16-11-7-5-4-6-10(11)15-2/h3-7H,1,8-9H2,2H3,(H,13,14)	C=CC(=O)NCCOc1ccccc1OC	C=CC(=O)NCCOc1ccccc1OC	LOFAKVZPJHBEEL-UHFFFAOYSA-N	.
LDCM0850	DKM 2-59	.	.	237.302	C16H15NO	29.1	237.1153641	3.1558	18	1	1	4	InChI=1S/C16H15NO/c1-2-16(18)17-12-14-10-6-7-11-15(14)13-8-4-3-5-9-13/h2-11H,1,12H2,(H,17,18)	C=CC(=O)NCc1ccccc1-c1ccccc1	C=CC(=O)NCc1ccccc1-c1ccccc1	GBDQTICSVYFARY-UHFFFAOYSA-N	.
LDCM0851	DKM 2-60	.	.	195.649	C10H10ClNO	29.1	195.0450916	2.1422	13	1	1	3	InChI=1S/C10H10ClNO/c1-2-10(13)12-7-8-5-3-4-6-9(8)11/h2-6H,1,7H2,(H,12,13)	C=CC(=O)NCc1ccccc1Cl	C=CC(=O)NCc1ccccc1Cl	FSSWCCVGVUIENN-UHFFFAOYSA-N	.
LDCM0852	DKM 2-84	.	.	187.242	C12H13NO	29.1	187.099714	2.2998	14	1	1	2	InChI=1S/C12H13NO/c1-2-12(14)13-11-8-4-6-9-5-3-7-10(9)11/h2,4,6,8H,1,3,5,7H2,(H,13,14)	C=CC(=O)Nc1cccc2c1CCC2	C=CC(=O)Nc1cccc2c1CCC2	DTPOWLVREBIZBC-UHFFFAOYSA-N	.
LDCM0853	DKM 2-85	.	.	219.24	C12H13NO3	55.4	219.0895433	1.9878	16	1	3	4	InChI=1S/C12H13NO3/c1-3-11(14)13-10-7-5-9(6-8-10)12(15)16-4-2/h3,5-8H,1,4H2,2H3,(H,13,14)	C=CC(=O)Nc1ccc(C(=O)OCC)cc1	C=CC(=O)Nc1ccc(C(=O)OCC)cc1	WPLURKJQMNROKG-UHFFFAOYSA-N	.
LDCM0854	DKM 2-86	.	.	191.186	C10H9NO3	47.56	191.0582431	1.5398	14	1	3	2	InChI=1S/C10H9NO3/c1-2-10(12)11-7-3-4-8-9(5-7)14-6-13-8/h2-5H,1,6H2,(H,11,12)	C=CC(=O)Nc1ccc2c(c1)OCO2	C=CC(=O)Nc1ccc2c(c1)OCO2	WYNHSJXWXQHJNZ-UHFFFAOYSA-N	.
LDCM0855	DKM 2-87	.	.	205.213	C11H11NO3	47.56	205.0738932	1.5823	15	1	3	2	InChI=1S/C11H11NO3/c1-2-11(13)12-8-3-4-9-10(7-8)15-6-5-14-9/h2-4,7H,1,5-6H2,(H,12,13)	C=CC(=O)Nc1ccc2c(c1)OCCO2	C=CC(=O)Nc1ccc2c(c1)OCCO2	QSIGDQROAZBBQM-UHFFFAOYSA-N	.
LDCM0856	DKM 2-95	.	.	175.231	C11H13NO	20.31	175.099714	1.831	13	0	1	3	InChI=1S/C11H13NO/c1-3-11(13)12(2)9-10-7-5-4-6-8-10/h3-8H,1,9H2,2H3	C=CC(=O)N(C)Cc1ccccc1	C=CC(=O)N(C)Cc1ccccc1	SXMHECGYSOUMFN-UHFFFAOYSA-N	.
LDCM0857	TRH 1-115	.	.	201.269	C13H15NO	20.31	201.1153641	2.3241	15	0	1	2	InChI=1S/C13H15NO/c1-3-13(15)14(2)12-9-5-7-10-6-4-8-11(10)12/h3,5,7,9H,1,4,6,8H2,2H3	C=CC(=O)N(C)c1cccc2c1CCC2	C=CC(=O)N(C)c1cccc2c1CCC2	JHSGGCAHONHKNZ-UHFFFAOYSA-N	.
LDCM0858	DKM 2-97	.	.	215.296	C14H17NO	20.31	215.1310142	2.5786	16	0	1	2	InChI=1S/C14H17NO/c1-2-14(16)15-10-8-13(9-11-15)12-6-4-3-5-7-12/h2-7,13H,1,8-11H2	C=CC(=O)N1CCC(c2ccccc2)CC1	C=CC(=O)N1CCC(c2ccccc2)CC1	ZBBGPVPOKBKMEV-UHFFFAOYSA-N	.
LDCM0859	DKM 2-98	.	.	248.285	C16H12N2O	52.89	248.094963	3.34978	19	1	2	3	InChI=1S/C16H12N2O/c1-2-16(19)18-15-9-7-14(8-10-15)13-5-3-12(11-17)4-6-13/h2-10H,1H2,(H,18,19)	C=CC(=O)Nc1ccc(-c2ccc(C#N)cc2)cc1	C=CC(=O)Nc1ccc(-c2ccc(C#N)cc2)cc1	JLYSMCWMGRSPBJ-UHFFFAOYSA-N	.
LDCM0860	DKM 2-100	.	.	184.239	C9H16N2O2	41.57	184.1211778	-0.3792	13	1	3	4	InChI=1S/C9H16N2O2/c1-2-9(12)10-3-4-11-5-7-13-8-6-11/h2H,1,3-8H2,(H,10,12)	C=CC(=O)NCCN1CCOCC1	C=CC(=O)NCCN1CCOCC1	XWCUDBBUDRNSKP-UHFFFAOYSA-N	.
LDCM0861	DKM 2-101	.	.	173.215	C11H11NO	20.31	173.084064	1.7617	13	0	1	1	InChI=1S/C11H11NO/c1-2-11(13)12-8-7-9-5-3-4-6-10(9)12/h2-6H,1,7-8H2	C=CC(=O)N1CCc2ccccc21	C=CC(=O)N1CCc2ccccc21	MBODXUXQQPORNR-UHFFFAOYSA-N	.
LDCM0862	DKM 2-102	.	.	127.187	C7H13NO	29.1	127.099714	1.0887	9	1	1	4	InChI=1S/C7H13NO/c1-3-5-6-8-7(9)4-2/h4H,2-3,5-6H2,1H3,(H,8,9)	C=CC(=O)NCCCC	C=CC(=O)NCCCC	YRVUCYWJQFRCOB-UHFFFAOYSA-N	.
LDCM0863	DKM 2-103	.	.	143.186	C7H13NO2	38.33	143.0946287	0.3251	10	1	2	5	InChI=1S/C7H13NO2/c1-3-7(9)8-5-4-6-10-2/h3H,1,4-6H2,2H3,(H,8,9)	C=CC(=O)NCCCOC	C=CC(=O)NCCCOC	RWJGITGQDQSWJG-UHFFFAOYSA-N	.
LDCM0864	DKM 2-106	.	.	153.225	C9H15NO	29.1	153.1153641	1.6213	11	1	1	2	InChI=1S/C9H15NO/c1-2-9(11)10-8-6-4-3-5-7-8/h2,8H,1,3-7H2,(H,10,11)	C=CC(=O)NC1CCCCC1	C=CC(=O)NC1CCCCC1	PMJFVKWBSWWAKT-UHFFFAOYSA-N	.
LDCM0865	DKM 2-107	.	.	181.622	C9H8ClNO	29.1	181.0294416	2.4645	12	1	1	2	InChI=1S/C9H8ClNO/c1-2-9(12)11-8-5-3-7(10)4-6-8/h2-6H,1H2,(H,11,12)	C=CC(=O)Nc1ccc(Cl)cc1	C=CC(=O)Nc1ccc(Cl)cc1	JEPAGMKWFWQECH-UHFFFAOYSA-N	.
LDCM0866	DKM 2-108	.	.	139.198	C8H13NO	29.1	139.099714	1.2312	10	1	1	2	InChI=1S/C8H13NO/c1-2-8(10)9-7-5-3-4-6-7/h2,7H,1,3-6H2,(H,9,10)	C=CC(=O)NC1CCCC1	C=CC(=O)NC1CCCC1	HFFGHFQYPISROY-UHFFFAOYSA-N	.
LDCM0867	DKM 2-109	.	.	169.224	C9H15NO2	29.54	169.1102787	0.8098	12	0	2	2	InChI=1S/C9H15NO2/c1-3-9(11)10-6-4-8(12-2)5-7-10/h3,8H,1,4-7H2,2H3	C=CC(=O)N1CCC(OC)CC1	C=CC(=O)N1CCC(OC)CC1	PASINDAQZWHAFC-UHFFFAOYSA-N	.
LDCM0868	DKM 2-110	.	.	221.256	C12H15NO3	47.56	221.1051933	1.506	16	1	3	5	InChI=1S/C12H15NO3/c1-4-12(14)13-8-9-5-6-10(15-2)11(7-9)16-3/h4-7H,1,8H2,2-3H3,(H,13,14)	C=CC(=O)NCc1ccc(OC)c(OC)c1	C=CC(=O)NCc1ccc(OC)c(OC)c1	ALZRYVJEHAKEFP-UHFFFAOYSA-N	.
LDCM0869	DKM 2-111	.	.	240.303	C12H20N2O3	49.85	240.1473925	1.2517	17	0	3	1	InChI=1S/C12H20N2O3/c1-5-10(15)13-6-8-14(9-7-13)11(16)17-12(2,3)4/h5H,1,6-9H2,2-4H3	C=CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1	C=CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1	PFWYMLPKVWSPDF-UHFFFAOYSA-N	.
LDCM0870	DKM 2-113	.	.	191.23	C11H13NO2	38.33	191.0946287	1.3676	14	1	2	5	InChI=1S/C11H13NO2/c1-2-11(13)12-8-9-14-10-6-4-3-5-7-10/h2-7H,1,8-9H2,(H,12,13)	C=CC(=O)NCCOc1ccccc1	C=CC(=O)NCCOc1ccccc1	KFYWFYZFDLNYJI-UHFFFAOYSA-N	.
LDCM0871	DKM 2-114	.	.	235.371	C15H25NO	20.31	235.1936144	3.6664	17	0	1	3	InChI=1S/C15H25NO/c1-2-15(17)16(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h2,13-14H,1,3-12H2	C=CC(=O)N(C1CCCCC1)C1CCCCC1	C=CC(=O)N(C1CCCCC1)C1CCCCC1	SAEXFKSTXQREHP-UHFFFAOYSA-N	.
LDCM0872	DKM 2-116	.	.	172.207	C11H10NO	29.1	172.0762389	1.42499	13	1	1	3	InChI=1S/C11H10NO/c1-3-11(13)12-8-10-6-4-9(2)5-7-10/h3-7H,1,8H2,(H,12,13)	[C]c1ccc(CNC(=O)C=C)cc1	[C]c1ccc(CNC(=O)C=C)cc1	RFCGLGZSVBXZSJ-UHFFFAOYSA-N	.
LDCM0873	DKM 2-117	.	.	251.285	C16H13NO2	46.17	251.0946287	3.0421	19	1	2	4	InChI=1S/C16H13NO2/c1-2-15(18)17-14-10-8-13(9-11-14)16(19)12-6-4-3-5-7-12/h2-11H,1H2,(H,17,18)	C=CC(=O)Nc1ccc(C(=O)c2ccccc2)cc1	C=CC(=O)Nc1ccc(C(=O)c2ccccc2)cc1	OJMGRWMGCRBVGD-UHFFFAOYSA-N	.
LDCM0874	DKM 2-119	.	.	239.274	C15H13NO2	38.33	239.0946287	3.6034	18	1	2	4	InChI=1S/C15H13NO2/c1-2-15(17)16-12-8-10-14(11-9-12)18-13-6-4-3-5-7-13/h2-11H,1H2,(H,16,17)	C=CC(=O)Nc1ccc(Oc2ccccc2)cc1	C=CC(=O)Nc1ccc(Oc2ccccc2)cc1	MEKQGWMFJFNYOY-UHFFFAOYSA-N	.
LDCM0875	DKM 2-120	.	.	211.261	C11H17NO3	46.61	211.1208434	0.9741	15	0	3	3	InChI=1S/C11H17NO3/c1-3-10(13)12-7-5-9(6-8-12)11(14)15-4-2/h3,9H,1,4-8H2,2H3	C=CC(=O)N1CCC(C(=O)OCC)CC1	C=CC(=O)N1CCC(C(=O)OCC)CC1	FRWJXBYBFQJBCX-UHFFFAOYSA-N	.
LDCM0876	TRH 1-19	.	.	147.177	C9H9NO	29.1	147.0684139	1.8111	11	1	1	2	InChI=1S/C9H9NO/c1-2-9(11)10-8-6-4-3-5-7-8/h2-7H,1H2,(H,10,11)	C=CC(=O)Nc1ccccc1	C=CC(=O)Nc1ccccc1	BPCNEKWROYSOLT-UHFFFAOYSA-N	.
LDCM0877	DKM 3-3	.	.	292.165	C15H11Cl2NO	29.1	291.0217693	4.7849	19	1	1	3	InChI=1S/C15H11Cl2NO/c1-2-15(19)18-14-5-3-10(4-6-14)11-7-12(16)9-13(17)8-11/h2-9H,1H2,(H,18,19)	C=CC(=O)Nc1ccc(-c2cc(Cl)cc(Cl)c2)cc1	C=CC(=O)Nc1ccc(-c2cc(Cl)cc(Cl)c2)cc1	IDXHKYLVYHUGCM-UHFFFAOYSA-N	.
LDCM0878	DKM 3-4	.	.	237.302	C16H15NO	29.1	237.1153641	3.0782	18	1	1	4	InChI=1S/C16H15NO/c1-2-15(18)17-16(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h2-12,16H,1H2,(H,17,18)	C=CC(=O)NC(c1ccccc1)c1ccccc1	C=CC(=O)NC(c1ccccc1)c1ccccc1	SHXRPEYRCYQSFS-UHFFFAOYSA-N	.
LDCM0879	DKM 3-5	.	.	216.284	C13H16N2O	23.55	216.1262631	1.5212	16	0	2	2	InChI=1S/C13H16N2O/c1-2-13(16)15-10-8-14(9-11-15)12-6-4-3-5-7-12/h2-7H,1,8-11H2	C=CC(=O)N1CCN(c2ccccc2)CC1	C=CC(=O)N1CCN(c2ccccc2)CC1	RHLXKNKGQYNPCQ-UHFFFAOYSA-N	.
LDCM0880	DKM 3-7	.	.	189.214	C11H11NO2	46.17	189.0789786	2.0137	14	1	2	3	InChI=1S/C11H11NO2/c1-3-11(14)12-10-6-4-9(5-7-10)8(2)13/h3-7H,1H2,2H3,(H,12,14)	C=CC(=O)Nc1ccc(C(C)=O)cc1	C=CC(=O)Nc1ccc(C(C)=O)cc1	DZFGSPKLORYTIN-UHFFFAOYSA-N	.
LDCM0881	DKM 3-8	.	.	153.225	C9H15NO	20.31	153.1153641	1.4309	11	0	1	1	InChI=1S/C9H15NO/c1-3-9(11)10-6-4-8(2)5-7-10/h3,8H,1,4-7H2,2H3	C=CC(=O)N1CCC(C)CC1	C=CC(=O)N1CCC(C)CC1	WYXFGMKDVJIBRE-UHFFFAOYSA-N	.
LDCM0882	DKM 3-9	.	.	187.239	C9H17NO3	47.56	187.1208434	0.6877	13	1	3	7	InChI=1S/C9H17NO3/c1-4-8(11)10-7-9(12-5-2)13-6-3/h4,9H,1,5-7H2,2-3H3,(H,10,11)	C=CC(=O)NCC(OCC)OCC	C=CC(=O)NCC(OCC)OCC	UWWAGCUUIDCSAM-UHFFFAOYSA-N	.
LDCM0883	TRH 1-20	.	.	175.231	C11H13NO	29.1	175.099714	2.0498	13	1	1	3	InChI=1S/C11H13NO/c1-3-11(13)12-9(2)10-7-5-4-6-8-10/h3-9H,1H2,2H3,(H,12,13)	C=CC(=O)NC(C)c1ccccc1	C=CC(=O)NC(C)c1ccccc1	RBVOJZBQNQTPRA-UHFFFAOYSA-N	.
LDCM0884	DKM 3-10	.	.	193.271	C10H11NOS	29.1	193.056135	2.533	13	1	2	3	InChI=1S/C10H11NOS/c1-3-10(12)11-8-4-6-9(13-2)7-5-8/h3-7H,1H2,2H3,(H,11,12)	C=CC(=O)Nc1ccc(SC)cc1	C=CC(=O)Nc1ccc(SC)cc1	JFYDGNATTIHYIB-UHFFFAOYSA-N	.
LDCM0885	DKM 3-11	.	.	150.201	C9H12NO	20.31	150.091889	0.99909	11	0	1	1	InChI=1S/C9H12NO/c1-3-9(11)10-6-4-8(2)5-7-10/h3,8H,1,4-7H2	[C]C1CCN(C(=O)C=C)CC1	[C]C1CCN(C(=O)C=C)CC1	NEGLJXZXBSQRTM-UHFFFAOYSA-N	.
LDCM0886	DKM 3-12	.	.	159.254	C7H13NOS	29.1	159.071785	1.0417	10	1	2	5	InChI=1S/C7H13NOS/c1-3-7(9)8-5-4-6-10-2/h3H,1,4-6H2,2H3,(H,8,9)	C=CC(=O)NCCCSC	C=CC(=O)NCCCSC	RVDUXVYCAVXXIJ-UHFFFAOYSA-N	.
LDCM0887	DKM 3-13	.	.	167.252	C10H17NO	29.1	167.1310142	1.8689	12	1	1	3	InChI=1S/C10H17NO/c1-2-10(12)11-8-9-6-4-3-5-7-9/h2,9H,1,3-8H2,(H,11,12)	C=CC(=O)NCC1CCCCC1	C=CC(=O)NCC1CCCCC1	XJKTZVTYQXQHHB-UHFFFAOYSA-N	.
LDCM0888	DKM 3-15	.	.	155.197	C8H13NO2	38.33	155.0946287	0.4676	11	1	2	3	InChI=1S/C8H13NO2/c1-2-8(10)9-6-7-4-3-5-11-7/h2,7H,1,3-6H2,(H,9,10)	C=CC(=O)NCC1CCCO1	C=CC(=O)NCC1CCCO1	KPEKHIHQXHOSRM-UHFFFAOYSA-N	.
LDCM0889	DKM 3-16	.	.	251.329	C17H17NO	29.1	251.1310142	4.0405	19	1	1	4	InChI=1S/C17H17NO/c1-3-13-5-7-14(8-6-13)15-9-11-16(12-10-15)18-17(19)4-2/h4-12H,2-3H2,1H3,(H,18,19)	C=CC(=O)Nc1ccc(-c2ccc(CC)cc2)cc1	C=CC(=O)Nc1ccc(-c2ccc(CC)cc2)cc1	MVPDLJSKENMVOC-UHFFFAOYSA-N	.
LDCM0890	DKM 3-29	.	.	258.321	C15H18N2O2	40.62	258.1368278	1.7238	19	0	3	3	InChI=1S/C15H18N2O2/c1-3-15(19)17-10-8-16(9-11-17)14-6-4-13(5-7-14)12(2)18/h3-7H,1,8-11H2,2H3	C=CC(=O)N1CCN(c2ccc(C(C)=O)cc2)CC1	C=CC(=O)N1CCN(c2ccc(C(C)=O)cc2)CC1	YKRMFPQSNSFAKS-UHFFFAOYSA-N	.
LDCM0891	DKM 3-30	.	.	273.719	C15H12ClNO2	38.33	273.0556563	4.2568	19	1	2	4	InChI=1S/C15H12ClNO2/c1-2-15(18)17-12-5-9-14(10-6-12)19-13-7-3-11(16)4-8-13/h2-10H,1H2,(H,17,18)	C=CC(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1	C=CC(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1	SUOACAGFNVGYSZ-UHFFFAOYSA-N	.
LDCM0892	DKM 3-31	.	.	165.167	C9H8FNO	29.1	165.0589921	1.9502	12	1	1	2	InChI=1S/C9H8FNO/c1-2-9(12)11-8-5-3-7(10)4-6-8/h2-6H,1H2,(H,11,12)	C=CC(=O)Nc1ccc(F)cc1	C=CC(=O)Nc1ccc(F)cc1	LVCGCAYBLBKRDP-UHFFFAOYSA-N	.
LDCM0893	DKM 3-32	.	.	127.187	C7H13NO	29.1	127.099714	1.0871	9	1	1	3	InChI=1S/C7H13NO/c1-4-6(3)8-7(9)5-2/h5-6H,2,4H2,1,3H3,(H,8,9)	C=CC(=O)NC(C)CC	C=CC(=O)NC(C)CC	NOEQXGATUUVXRW-UHFFFAOYSA-N	.
LDCM0894	DKM 3-36	.	.	246.31	C14H18N2O2	32.78	246.1368278	1.5298	18	0	3	3	InChI=1S/C14H18N2O2/c1-3-14(17)16-10-8-15(9-11-16)12-4-6-13(18-2)7-5-12/h3-7H,1,8-11H2,2H3	C=CC(=O)N1CCN(c2ccc(OC)cc2)CC1	C=CC(=O)N1CCN(c2ccc(OC)cc2)CC1	NSYVRTBZEJSPAX-UHFFFAOYSA-N	.
LDCM0895	DKM 3-41	.	.	313.4	C22H19NO	29.1	313.1466642	4.2807	24	1	1	5	InChI=1S/C22H19NO/c1-2-21(24)23-22(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h2-17H,1H2,(H,23,24)	C=CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1	C=CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1	URZQYRJYVCJLKK-UHFFFAOYSA-N	.
LDCM0896	DKM 3-42	.	.	207.317	C13H21NO	29.1	207.1623143	2.9813	15	1	1	6	InChI=1S/C13H21NO/c1-5-13(15)14-10-9-12(4)8-6-7-11(2)3/h5,7,9H,1,6,8,10H2,2-4H3,(H,14,15)/b12-9+	C=CC(=O)NC/C=C(\C)CCC=C(C)C	C=CC(=O)NCC=C(C)CCC=C(C)C	NVQNIDWFIGKGQW-FMIVXFBMSA-N	.
LDCM0897	DKM 3-43	.	.	205.213	C11H11NO3	47.56	205.0738932	1.2175	15	1	3	3	InChI=1S/C11H11NO3/c1-2-11(13)12-6-8-3-4-9-10(5-8)15-7-14-9/h2-5H,1,6-7H2,(H,12,13)	C=CC(=O)NCc1ccc2c(c1)OCO2	C=CC(=O)NCc1ccc2c(c1)OCO2	ZVYKKYQQXDWFSB-UHFFFAOYSA-N	.
LDCM0898	TRH 1-65	.	.	266.138	C12H12BrNO	29.1	265.0102261	3.0623	15	1	1	2	InChI=1S/C12H12BrNO/c1-2-12(15)14-11-7-6-10(13)8-4-3-5-9(8)11/h2,6-7H,1,3-5H2,(H,14,15)	C=CC(=O)Nc1ccc(Br)c2c1CCC2	C=CC(=O)Nc1ccc(Br)c2c1CCC2	IIEVSAMMDKEKRC-UHFFFAOYSA-N	.
LDCM0899	TRH 1-32	.	.	177.203	C10H11NO2	38.33	177.0789786	1.8197	13	1	2	3	InChI=1S/C10H11NO2/c1-3-10(12)11-8-4-6-9(13-2)7-5-8/h3-7H,1H2,2H3,(H,11,12)	C=CC(=O)Nc1ccc(OC)cc1	C=CC(=O)Nc1ccc(OC)cc1	YMHDGRAROYGJLT-UHFFFAOYSA-N	.
LDCM0900	TRH 1-54	.	.	175.231	C11H13NO	29.1	175.099714	1.79722	13	1	1	3	InChI=1S/C11H13NO/c1-3-11(13)12-8-10-7-5-4-6-9(10)2/h3-7H,1,8H2,2H3,(H,12,13)	C=CC(=O)NCc1ccccc1C	C=CC(=O)NCc1ccccc1C	PNEQWZNDQWVHCO-UHFFFAOYSA-N	.
LDCM0901	TRH 1-56	.	.	201.269	C13H15NO	29.1	201.1153641	2.6899	15	1	1	2	InChI=1S/C13H15NO/c1-2-13(15)14-12-9-5-7-10-6-3-4-8-11(10)12/h2,5,7,9H,1,3-4,6,8H2,(H,14,15)	C=CC(=O)Nc1cccc2c1CCCC2	C=CC(=O)Nc1cccc2c1CCCC2	GREDXJXBMHSUAI-UHFFFAOYSA-N	.
LDCM0902	DKM 2-52	.	.	234.683	C9H15ClN2O3	49.85	234.07712	0.5259	15	0	3	2	InChI=1S/C9H15ClN2O3/c1-2-15-9(14)12-5-3-11(4-6-12)8(13)7-10/h2-7H2,1H3	CCOC(=O)N1CCN(C(=O)CCl)CC1	CCOC(=O)N1CCN(C(=O)CCl)CC1	PTFKNHYQFQWBAA-UHFFFAOYSA-N	.
LDCM0903	DKM 2-67	.	.	183.638	C9H10ClNO	29.1	183.0450916	1.5416	12	1	1	3	InChI=1S/C9H10ClNO/c10-6-9(12)11-7-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,12)	O=C(CCl)NCc1ccccc1	O=C(CCl)NCc1ccccc1	SRAXAXHQMCQHSH-UHFFFAOYSA-N	.
LDCM0904	DKM 2-71	.	.	147.605	C6H10ClNO	20.31	147.0450916	0.8476	9	0	1	1	InChI=1S/C6H10ClNO/c7-5-6(9)8-3-1-2-4-8/h1-5H2	O=C(CCl)N1CCCC1	O=C(CCl)N1CCCC1	AAOSLLBWWRKJIR-UHFFFAOYSA-N	.
LDCM0905	DKM 2-72	.	.	233.783	C12H24ClNO	29.1	233.1546421	3.4821	15	1	1	10	InChI=1S/C12H24ClNO/c1-2-3-4-5-6-7-8-9-10-14-12(15)11-13/h2-11H2,1H3,(H,14,15)	CCCCCCCCCCNC(=O)CCl	CCCCCCCCCCNC(=O)CCl	FAQNCWLCGOXEOV-UHFFFAOYSA-N	.
LDCM0906	DKM 2-76	.	.	225.719	C12H16ClNO	29.1	225.0920418	2.3627	15	1	1	5	InChI=1S/C12H16ClNO/c1-10(14-12(15)9-13)7-8-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,14,15)	CC(CCc1ccccc1)NC(=O)CCl	CC(CCc1ccccc1)NC(=O)CCl	GBJRIBKHNZKXLN-UHFFFAOYSA-N	.
LDCM0907	DKM 2-79	.	.	195.649	C10H10ClNO	20.31	195.0450916	1.8145	13	0	1	1	InChI=1S/C10H10ClNO/c11-7-10(13)12-6-5-8-3-1-2-4-9(8)12/h1-4H,5-7H2	O=C(CCl)N1CCc2ccccc21	O=C(CCl)N1CCc2ccccc21	ARHQTTKUMFDVJJ-UHFFFAOYSA-N	.
LDCM0908	DKM 2-80	.	.	201.628	C9H9ClFNO	29.1	201.0356698	1.6807	13	1	1	3	InChI=1S/C9H9ClFNO/c10-5-9(13)12-6-7-1-3-8(11)4-2-7/h1-4H,5-6H2,(H,12,13)	O=C(CCl)NCc1ccc(F)cc1	O=C(CCl)NCc1ccc(F)cc1	KNOOZPRRCORIDE-UHFFFAOYSA-N	.
LDCM0909	DKM 2-83	.	.	213.664	C10H12ClNO2	38.33	213.0556563	1.5502	14	1	2	4	InChI=1S/C10H12ClNO2/c1-14-9-4-2-8(3-5-9)7-12-10(13)6-11/h2-5H,6-7H2,1H3,(H,12,13)	COc1ccc(CNC(=O)CCl)cc1	COc1ccc(CNC(=O)CCl)cc1	JXYSFUCPCITQLI-UHFFFAOYSA-N	.
LDCM0910	TRH 1-17	.	.	241.674	C11H12ClNO3	55.4	241.0505709	2.0406	16	1	3	4	InChI=1S/C11H12ClNO3/c1-2-16-11(15)8-3-5-9(6-4-8)13-10(14)7-12/h3-6H,2,7H2,1H3,(H,13,14)	CCOC(=O)c1ccc(NC(=O)CCl)cc1	CCOC(=O)c1ccc(NC(=O)CCl)cc1	ZVRJEYAQESBSSH-UHFFFAOYSA-N	.
LDCM0911	DKM 2-90	.	.	227.647	C10H10ClNO3	47.56	227.0349209	1.6351	15	1	3	2	InChI=1S/C10H10ClNO3/c11-6-10(13)12-7-1-2-8-9(5-7)15-4-3-14-8/h1-2,5H,3-4,6H2,(H,12,13)	O=C(CCl)Nc1ccc2c(c1)OCCO2	O=C(CCl)Nc1ccc2c(c1)OCCO2	IRXZWUUWXXDGEN-UHFFFAOYSA-N	.
LDCM0912	DKM 2-91	.	.	209.676	C11H12ClNO	29.1	209.0607417	2.3526	14	1	1	2	InChI=1S/C11H12ClNO/c12-7-11(14)13-10-6-2-4-8-3-1-5-9(8)10/h2,4,6H,1,3,5,7H2,(H,13,14)	O=C(CCl)Nc1cccc2c1CCC2	O=C(CCl)Nc1cccc2c1CCC2	ODKUZUVKKFLMMB-UHFFFAOYSA-N	.
LDCM0913	DKM 2-93	.	.	243.69	C11H14ClNO3	47.56	243.066221	1.5588	16	1	3	5	InChI=1S/C11H14ClNO3/c1-15-9-4-3-8(5-10(9)16-2)7-13-11(14)6-12/h3-5H,6-7H2,1-2H3,(H,13,14)	COc1ccc(CNC(=O)CCl)cc1OC	COc1ccc(CNC(=O)CCl)cc1OC	CETPWRGZGWGPSV-UHFFFAOYSA-N	.
LDCM0914	DKM 2-94	.	.	218.083	C9H9Cl2NO	29.1	217.0061193	2.195	13	1	1	3	InChI=1S/C9H9Cl2NO/c10-5-9(13)12-6-7-3-1-2-4-8(7)11/h1-4H,5-6H2,(H,12,13)	O=C(CCl)NCc1ccccc1Cl	O=C(CCl)NCc1ccccc1Cl	VBEJPDDXBGNGEA-UHFFFAOYSA-N	.
LDCM0915	DKM 3-22	.	.	273.719	C15H12ClNO2	46.17	273.0556563	3.0949	19	1	2	4	InChI=1S/C15H12ClNO2/c16-10-14(18)17-13-8-6-12(7-9-13)15(19)11-4-2-1-3-5-11/h1-9H,10H2,(H,17,18)	O=C(CCl)Nc1ccc(C(=O)c2ccccc2)cc1	O=C(CCl)Nc1ccc(C(=O)c2ccccc2)cc1	HDGKXVAFPXFWHZ-UHFFFAOYSA-N	.
LDCM0916	TRH 1-23	.	.	261.708	C14H12ClNO2	38.33	261.0556563	3.6562	18	1	2	4	InChI=1S/C14H12ClNO2/c15-10-14(17)16-11-6-8-13(9-7-11)18-12-4-2-1-3-5-12/h1-9H,10H2,(H,16,17)	O=C(CCl)Nc1ccc(Oc2ccccc2)cc1	O=C(CCl)Nc1ccc(Oc2ccccc2)cc1	PHUZNDQAFGNCRQ-UHFFFAOYSA-N	.
LDCM0917	TRH 1-55	.	.	197.665	C10H12ClNO	29.1	197.0607417	1.85002	13	1	1	3	InChI=1S/C10H12ClNO/c1-8-4-2-3-5-9(8)7-12-10(13)6-11/h2-5H,6-7H2,1H3,(H,12,13)	Cc1ccccc1CNC(=O)CCl	Cc1ccccc1CNC(=O)CCl	CLEDDHAOOOPHJM-UHFFFAOYSA-N	.
LDCM0918	Abbasov 1a	.	.	315.332	C19H13N3O2	57.01	315.1007767	3.9121	24	0	5	3	InChI=1S/C19H13N3O2/c23-19(22-18-9-5-4-8-17(18)20-21-22)14-10-12-16(13-11-14)24-15-6-2-1-3-7-15/h1-13H	O=C(c1ccc(Oc2ccccc2)cc1)n1nnc2ccccc21	O=C(c1ccc(Oc2ccccc2)cc1)n1nnc2ccccc21	UYZPQDAVOGZMAD-UHFFFAOYSA-N	.
LDCM0919	Abbasov 1b	.	.	229.283	C13H15N3O	47.78	229.1215121	2.6518	17	0	4	1	InChI=1S/C13H15N3O/c17-13(10-6-2-1-3-7-10)16-12-9-5-4-8-11(12)14-15-16/h4-5,8-10H,1-3,6-7H2	O=C(C1CCCCC1)n1nnc2ccccc21	O=C(C1CCCCC1)n1nnc2ccccc21	VKBAYPMPSYLOAD-UHFFFAOYSA-N	.
LDCM0920	Abbasov 1c	.	.	161.164	C8H7N3O	47.78	161.0589118	1.0914	12	0	4	0	InChI=1S/C8H7N3O/c1-6(12)11-8-5-3-2-4-7(8)9-10-11/h2-5H,1H3	CC(=O)n1nnc2ccccc21	CC(=O)n1nnc2ccccc21	NIIUIBKEGRPPDK-UHFFFAOYSA-N	.
LDCM0921	Abbasov 1d	.	.	224.223	C12H8N4O	60.67	224.0698109	1.5148	17	0	5	1	InChI=1S/C12H8N4O/c17-12(10-6-3-4-8-13-10)16-11-7-2-1-5-9(11)14-15-16/h1-8H	O=C(c1ccccn1)n1nnc2ccccc21	O=C(c1ccccn1)n1nnc2ccccc21	STCGMSMATDHRCO-UHFFFAOYSA-N	.
LDCM0922	Abbasov 2a	.	.	262.284	C14H15FN2O2	43.17	262.1117559	1.9208	19	0	3	2	InChI=1S/C14H15FN2O2/c15-13(18)12-14(19)17(10-6-2-1-3-7-10)11-8-4-5-9-16(11)12/h4-5,8-10H,1-3,6-7H2	O=C(F)[c-]1c(=O)n(C2CCCCC2)c2cccc[n+]21	O=C(F)[c-]1c(=O)n(C2CCCCC2)c2cccc[n+]21	KQUVFKMXKIROGJ-UHFFFAOYSA-N	.
LDCM0923	Abbasov 2b	.	.	300.333	C17H17FN2O2	43.17	300.127406	2.759	22	0	3	5	InChI=1S/C17H17FN2O2/c1-2-3-6-10-20-16-13-8-5-4-7-12(13)9-11-19(16)14(15(18)21)17(20)22/h4-5,7-9,11H,2-3,6,10H2,1H3	CCCCCn1c(=O)[c-](C(=O)F)[n+]2ccc3ccccc3c12	CCCCCn1c(=O)[c-](C(=O)F)[n+]2ccc3ccccc3c12	MLPFZIDEGVSXNH-UHFFFAOYSA-N	.
LDCM0924	Abbasov 2c	.	.	320.323	C19H13FN2O2	43.17	320.0961059	2.6171	24	0	3	3	InChI=1S/C19H13FN2O2/c20-17(23)16-19(24)22(12-13-6-2-1-3-7-13)18-15-9-5-4-8-14(15)10-11-21(16)18/h1-11H,12H2	O=C(F)[c-]1c(=O)n(Cc2ccccc2)c2c3ccccc3cc[n+]21	O=C(F)[c-]1c(=O)n(Cc2ccccc2)c2c3ccccc3cc[n+]21	VERGIWVWTNXPBY-UHFFFAOYSA-N	.
LDCM0925	Abbasov 2d	.	.	314.36	C18H19FN2O2	43.17	314.1430561	2.3409	23	0	3	2	InChI=1S/C18H19FN2O2/c19-16(22)15-17(23)21(14-3-1-2-4-20(14)15)18-8-11-5-12(9-18)7-13(6-11)10-18/h1-4,11-13H,5-10H2	O=C(F)[c-]1c(=O)n(C23CC4CC(CC(C4)C2)C3)c2cccc[n+]21	O=C(F)[c-]1c(=O)n(C23CC4CC(CC(C4)C2)C3)c2cccc[n+]21	SJVVQTXRWXHAFD-UHFFFAOYSA-N	.
LDCM0926	Abbasov 3a	.	.	493.562	C25H19NO6S2	97.82	493.0653793	4.6989	34	0	6	7	InChI=1S/C25H19NO6S2/c27-25(20-11-10-14-22(19-20)32-21-12-4-1-5-13-21)26(33(28,29)23-15-6-2-7-16-23)34(30,31)24-17-8-3-9-18-24/h1-19H	O=C(c1cccc(Oc2ccccc2)c1)N(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1	O=C(c1cccc(Oc2ccccc2)c1)N(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1	BFFROQPHQQTXNV-UHFFFAOYSA-N	.
LDCM0927	Abbasov 3b	.	.	419.455	C19H14FNO5S2	88.59	419.0297428	3.0457	28	0	5	5	InChI=1S/C19H14FNO5S2/c20-16-13-11-15(12-14-16)19(22)21(27(23,24)17-7-3-1-4-8-17)28(25,26)18-9-5-2-6-10-18/h1-14H	O=C(c1ccc(F)cc1)N(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1	O=C(c1ccc(F)cc1)N(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1	ZFBVCWDNDFYRFR-UHFFFAOYSA-N	.
LDCM0928	Abbasov 4a	.	.	454.435	C23H22N2O8	133.12	454.1376157	3.36074	33	0	8	9	InChI=1S/C23H22N2O8/c1-14-11-17(19(26)7-10-22(29)33-24-20(27)8-9-21(24)28)12-15(2)23(14)32-13-16-3-5-18(6-4-16)25(30)31/h3-6,11-12H,7-10,13H2,1-2H3	Cc1cc(C(=O)CCC(=O)ON2C(=O)CCC2=O)cc(C)c1OCc1ccc([N+](=O)[O-])cc1	Cc1cc(C(=O)CCC(=O)ON2C(=O)CCC2=O)cc(C)c1OCc1ccc([N+](=O)[O-])cc1	CUTCHWUKZOOSRX-UHFFFAOYSA-N	.
LDCM0929	Abbasov 4b	.	.	323.304	C18H13NO5	80.75	323.0793725	2.1384	24	0	5	4	InChI=1S/C18H13NO5/c20-15-10-11-16(21)19(15)24-18(23)14-8-6-13(7-9-14)17(22)12-4-2-1-3-5-12/h1-9H,10-11H2	O=C(ON1C(=O)CCC1=O)c1ccc(C(=O)c2ccccc2)cc1	O=C(ON1C(=O)CCC1=O)c1ccc(C(=O)c2ccccc2)cc1	MVQNJLJLEGZFGP-UHFFFAOYSA-N	.
LDCM0930	Abbasov 4c	.	.	358.35	C18H18N2O6	97.13	358.1164863	1.86	26	0	7	5	InChI=1S/C18H18N2O6/c1-3-19(4-2)12-6-5-11-9-13(17(23)25-14(11)10-12)18(24)26-20-15(21)7-8-16(20)22/h5-6,9-10H,3-4,7-8H2,1-2H3	CCN(CC)c1ccc2cc(C(=O)ON3C(=O)CCC3=O)c(=O)oc2c1	CCN(CC)c1ccc2cc(C(=O)ON3C(=O)CCC3=O)c(=O)oc2c1	NUNPVRICKDZFLK-UHFFFAOYSA-N	.
LDCM0931	Abbasov 4d	.	.	271.225	C11H13NO7	91.37	271.0692018	-0.035	19	0	7	2	InChI=1S/C11H13NO7/c13-8-1-2-9(14)12(8)19-11(15)18-7-5-17-10-6(7)3-4-16-10/h6-7,10H,1-5H2/t6-,7-,10+/m0/s1	O=C(O[C@H]1CO[C@H]2OCC[C@H]21)ON1C(=O)CCC1=O	O=C(OC1COC2OCCC12)ON1C(=O)CCC1=O	VCFNCYVHQSHFRH-MHYGZLNHSA-N	.
LDCM0932	Abbasov 5a	.	.	329.871	C20H24ClNO	33.08	329.1546421	5.64447	23	1	2	4	InChI=1S/C20H23NO.ClH/c21-20(22-19-9-5-2-6-10-19)15-16-11-13-18(14-12-16)17-7-3-1-4-8-17;/h1,3-4,7-8,11-14,19,21H,2,5-6,9-10,15H2;1H	Cl.N=C(Cc1ccc(-c2ccccc2)cc1)OC1CCCCC1	Cl.N=C(Cc1ccc(-c2ccccc2)cc1)OC1CCCCC1	XICAGNNOEDRLID-UHFFFAOYSA-N	.
LDCM0933	Abbasov 5b	.	.	259.846	C13H22ClNS	23.85	259.1161484	4.35497	16	1	2	2	InChI=1S/C13H21NS.ClH/c1-2-15-12(14)13-6-9-3-10(7-13)5-11(4-9)8-13;/h9-11,14H,2-8H2,1H3;1H	CCSC(=N)C12CC3CC(CC(C3)C1)C2.Cl	CCSC(=N)C12CC3CC(CC(C3)C1)C2.Cl	XPQUKZAEWYJKTO-UHFFFAOYSA-N	.
LDCM0934	Abbasov 5c	.	.	291.847	C16H18ClNS	23.85	291.0848483	4.97067	19	1	2	4	InChI=1S/C16H17NS.ClH/c1-2-18-16(17)15(13-9-5-3-6-10-13)14-11-7-4-8-12-14;/h3-12,15,17H,2H2,1H3;1H	CCSC(=N)C(c1ccccc1)c1ccccc1.Cl	CCSC(=N)C(c1ccccc1)c1ccccc1.Cl	OMTOAFQUXPRGHX-UHFFFAOYSA-N	.
LDCM0935	Abbasov 5d	.	.	293.819	C15H16ClNOS	33.08	293.0641128	4.97917	19	1	3	4	InChI=1S/C15H15NOS.ClH/c1-2-18-15(16)12-8-10-14(11-9-12)17-13-6-4-3-5-7-13;/h3-11,16H,2H2,1H3;1H	CCSC(=N)c1ccc(Oc2ccccc2)cc1.Cl	CCSC(=N)c1ccc(Oc2ccccc2)cc1.Cl	JGZQNVBYFGNHFP-UHFFFAOYSA-N	.
LDCM0936	Abbasov 5e	.	.	337.847	C17H17ClFNOS	33.08	337.0703411	4.94557	22	1	3	3	InChI=1S/C17H16FNOS.ClH/c1-2-21-17(19)12-3-4-13-10-20-16(15(13)9-12)11-5-7-14(18)8-6-11;/h3-9,16,19H,2,10H2,1H3;1H/t16-;/m1./s1	CCSC(=N)c1ccc2c(c1)[C@@H](c1ccc(F)cc1)OC2.Cl	CCSC(=N)c1ccc2c(c1)C(c1ccc(F)cc1)OC2.Cl	DCXUEOLENNTGAM-PKLMIRHRSA-N	.
LDCM0937	Abbasov 6a	.	.	296.395	C17H16N2OS	33.2	296.0983341	3.3354	21	0	4	4	InChI=1S/C17H16N2OS/c1-19(12-11-13-7-3-2-4-8-13)17-18-15-10-6-5-9-14(15)16(20)21-17/h2-10H,11-12H2,1H3	CN(CCc1ccccc1)c1nc2ccccc2c(=O)s1	CN(CCc1ccccc1)c1nc2ccccc2c(=O)s1	AOKPNZVTMSNVNH-UHFFFAOYSA-N	.
LDCM0938	Abbasov 6b	.	.	248.307	C12H12N2O2S	42.43	248.0619486	1.4931	17	0	5	1	InChI=1S/C12H12N2O2S/c15-11-9-3-1-2-4-10(9)13-12(17-11)14-5-7-16-8-6-14/h1-4H,5-8H2	O=c1sc(N2CCOCC2)nc2ccccc12	O=c1sc(N2CCOCC2)nc2ccccc12	SFOBDHVOESASNF-UHFFFAOYSA-N	.
LDCM0939	Abbasov 6c	.	.	336.46	C20H20N2OS	33.2	336.1296343	4.1156	24	0	4	3	InChI=1S/C20H20N2OS/c23-19-17-8-4-5-9-18(17)21-20(24-19)22-12-10-16(11-13-22)14-15-6-2-1-3-7-15/h1-9,16H,10-14H2	O=c1sc(N2CCC(Cc3ccccc3)CC2)nc2ccccc12	O=c1sc(N2CCC(Cc3ccccc3)CC2)nc2ccccc12	RZTLTQLTOJSFHA-UHFFFAOYSA-N	.
LDCM0940	Abbasov 7a	.	.	463.943	C21H22ClN3O5S	116.57	463.0968695	2.77198	31	1	6	9	InChI=1S/C21H22ClN3O5S/c1-3-20(26)25(13-11-23)31(28,29)17-7-4-15(5-8-17)10-12-24-21(27)18-14-16(22)6-9-19(18)30-2/h4-9,14H,3,10,12-13H2,1-2H3,(H,24,27)	CCC(=O)N(CC#N)S(=O)(=O)c1ccc(CCNC(=O)c2cc(Cl)ccc2OC)cc1	CCC(=O)N(CC#N)S(=O)(=O)c1ccc(CCNC(=O)c2cc(Cl)ccc2OC)cc1	WBKVMZWHEKPQJV-UHFFFAOYSA-N	.
LDCM0941	Abbasov 7b	.	.	222.225	C9H6N2O3S	78.24	222.0099131	0.35468	15	0	4	1	InChI=1S/C9H6N2O3S/c10-5-6-11-9(12)7-3-1-2-4-8(7)15(11,13)14/h1-4H,6H2	N#CCN1C(=O)c2ccccc2S1(=O)=O	N#CCN1C(=O)c2ccccc2S1(=O)=O	XOOUGZKBOROESV-UHFFFAOYSA-N	.
LDCM0942	Abbasov 7c	.	.	266.322	C12H14N2O3S	78.24	266.0725133	1.4459	18	0	4	4	InChI=1S/C12H14N2O3S/c1-3-12(15)14(9-8-13)18(16,17)11-6-4-10(2)5-7-11/h4-7H,3,9H2,1-2H3	CCC(=O)N(CC#N)S(=O)(=O)c1ccc(C)cc1	CCC(=O)N(CC#N)S(=O)(=O)c1ccc(C)cc1	PQGVGLHZKJTEKA-UHFFFAOYSA-N	.
LDCM0943	Abbasov 7d	.	.	476.48	C22H19F3N4O3S	96.06	476.1129961	4.3174	33	0	6	6	InChI=1S/C22H19F3N4O3S/c1-3-21(30)28(13-12-26)33(31,32)18-10-8-17(9-11-18)29-19(14-20(27-29)22(23,24)25)16-6-4-15(2)5-7-16/h4-11,14H,3,13H2,1-2H3	CCC(=O)N(CC#N)S(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(C)cc2)cc1	CCC(=O)N(CC#N)S(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(C)cc2)cc1	BONKWSDXRXUHKQ-UHFFFAOYSA-N	.
LDCM0944	Abbasov 8a	.	.	287.077	C11H5Cl2FN2O2	51.96	285.971211	2.3777	18	0	4	1	InChI=1S/C11H5Cl2FN2O2/c12-8-5-15-16(11(18)9(8)13)10(17)6-1-3-7(14)4-2-6/h1-5H	O=C(c1ccc(F)cc1)n1ncc(Cl)c(Cl)c1=O	O=C(c1ccc(F)cc1)n1ncc(Cl)c(Cl)c1=O	HUOGOZCRCKOEJC-UHFFFAOYSA-N	.
LDCM0945	Abbasov 8b	.	.	294.285	C17H11FN2O2	51.96	294.0804558	2.7379	22	0	4	2	InChI=1S/C17H11FN2O2/c18-14-8-6-13(7-9-14)17(22)20-16(21)11-10-15(19-20)12-4-2-1-3-5-12/h1-11H	O=C(c1ccc(F)cc1)n1nc(-c2ccccc2)ccc1=O	O=C(c1ccc(F)cc1)n1nc(-c2ccccc2)ccc1=O	VPFPGDLIVAVLEQ-UHFFFAOYSA-N	.
LDCM0946	Abbasov 9a	.	.	231.182	C12H6FNO3	56.24	231.0331713	2.5871	17	0	4	1	InChI=1S/C12H6FNO3/c13-7-3-4-8-9(6-7)14-11(17-12(8)15)10-2-1-5-16-10/h1-6H	O=c1oc(-c2ccco2)nc2cc(F)ccc12	O=c1oc(-c2ccco2)nc2cc(F)ccc12	GSXYIFXGTMSNET-UHFFFAOYSA-N	.
LDCM0947	Abbasov 9b	.	.	267.259	C16H10FNO2	43.1	267.0695568	3.4975	20	0	3	2	InChI=1S/C16H10FNO2/c17-12-7-8-13-14(10-12)18-15(20-16(13)19)9-6-11-4-2-1-3-5-11/h1-10H/b9-6+	O=c1oc(/C=C/c2ccccc2)nc2cc(F)ccc12	O=c1oc(C=Cc2ccccc2)nc2cc(F)ccc12	KNJCHDKXXFJINI-RMKNXTFCSA-N	.
LDCM0948	Abbasov 10a	.	.	315.35	C16H13NO4S	71.52	315.0565289	1.9905	22	0	4	3	InChI=1S/C16H13NO4S/c18-15(11-10-12-6-2-1-3-7-12)17-16(19)13-8-4-5-9-14(13)22(17,20)21/h1-9H,10-11H2	O=C(CCc1ccccc1)N1C(=O)c2ccccc2S1(=O)=O	O=C(CCc1ccccc1)N1C(=O)c2ccccc2S1(=O)=O	DNKPTDKCTHDLNC-UHFFFAOYSA-N	.
LDCM0949	Abbasov 10b	.	.	305.286	C14H8FNO4S	71.52	305.015807	1.8106	21	0	4	1	InChI=1S/C14H8FNO4S/c15-10-7-5-9(6-8-10)13(17)16-14(18)11-3-1-2-4-12(11)21(16,19)20/h1-8H	O=C(c1ccc(F)cc1)N1C(=O)c2ccccc2S1(=O)=O	O=C(c1ccc(F)cc1)N1C(=O)c2ccccc2S1(=O)=O	HOVAQCCNAKVSDR-UHFFFAOYSA-N	.
LDCM0950	Abbasov 10c	.	.	407.447	C22H17NO5S	80.75	407.0827436	3.1794	29	0	5	5	InChI=1S/C22H17NO5S/c24-21(23-22(25)19-8-4-5-9-20(19)29(23,26)27)14-16-10-12-18(13-11-16)28-15-17-6-2-1-3-7-17/h1-13H,14-15H2	O=C(Cc1ccc(OCc2ccccc2)cc1)N1C(=O)c2ccccc2S1(=O)=O	O=C(Cc1ccc(OCc2ccccc2)cc1)N1C(=O)c2ccccc2S1(=O)=O	QCGGOZUKOUYWFC-UHFFFAOYSA-N	.
LDCM0951	Abbasov 11a	.	.	253.257	C15H11NO3	46.61	253.0738932	2.4144	19	0	3	3	InChI=1S/C15H11NO3/c17-14-12-8-4-5-9-13(12)15(18)16(14)19-10-11-6-2-1-3-7-11/h1-9H,10H2	O=C1c2ccccc2C(=O)N1OCc1ccccc1	O=C1c2ccccc2C(=O)N1OCc1ccccc1	IOZADUIJKWISQS-UHFFFAOYSA-N	.
LDCM0952	Abbasov 11b	.	.	163.132	C8H5NO3	63.07	163.026943	0.4813	12	1	3	0	InChI=1S/C8H5NO3/c10-7-5-3-1-2-4-6(5)9-8(11)12-7/h1-4H,(H,9,11)	O=c1[nH]c2ccccc2c(=O)o1	O=c1[nH]c2ccccc2c(=O)o1	TXJUTRJFNRYTHH-UHFFFAOYSA-N	.
LDCM0953	Abbasov 11c	.	.	346.18	C16H12BrNO3	52.21	345.0000553	3.3265	21	0	4	2	InChI=1S/C16H12BrNO3/c1-10(11-5-3-2-4-6-11)18-14-8-7-12(17)9-13(14)15(19)21-16(18)20/h2-10H,1H3/t10-/m1/s1	C[C@H](c1ccccc1)n1c(=O)oc(=O)c2cc(Br)ccc21	CC(c1ccccc1)n1c(=O)oc(=O)c2cc(Br)ccc21	ZKBDCCUBBNJIPD-SNVBAGLBSA-N	.
LDCM0954	Abbasov 11d	.	.	357.409	C23H19NO3	52.21	357.1364935	4.1769	27	0	4	5	InChI=1S/C23H19NO3/c25-22-20-13-7-8-14-21(20)24(23(26)27-22)16-15-19(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-14,19H,15-16H2	O=c1oc(=O)n(CCC(c2ccccc2)c2ccccc2)c2ccccc12	O=c1oc(=O)n(CCC(c2ccccc2)c2ccccc2)c2ccccc12	CTZDUEYGPXHGCI-UHFFFAOYSA-N	.
LDCM0955	Abbasov 11e	.	.	374.352	C21H14N2O5	101.4	374.0902715	3.5259	28	2	5	4	InChI=1S/C21H14N2O5/c24-19(13-6-9-16(10-7-13)27-15-4-2-1-3-5-15)22-14-8-11-18-17(12-14)20(25)28-21(26)23-18/h1-12H,(H,22,24)(H,23,26)	O=C(Nc1ccc2[nH]c(=O)oc(=O)c2c1)c1ccc(Oc2ccccc2)cc1	O=C(Nc1ccc2[nH]c(=O)oc(=O)c2c1)c1ccc(Oc2ccccc2)cc1	BGBDZNBQVFNQBO-UHFFFAOYSA-N	.
LDCM0956	Abbasov 12a	.	.	375.224	C16H7F6NO3	46.61	375.0330124	4.3142	26	0	3	2	InChI=1S/C16H7F6NO3/c17-15(18,19)8-5-9(16(20,21)22)7-10(6-8)26-23-13(24)11-3-1-2-4-12(11)14(23)25/h1-7H	O=C1c2ccccc2C(=O)N1Oc1cc(C(F)(F)F)cc(C(F)(F)F)c1	O=C1c2ccccc2C(=O)N1Oc1cc(C(F)(F)F)cc(C(F)(F)F)c1	OHURCWHSGAAKBL-UHFFFAOYSA-N	.
LDCM0957	Abbasov 12b	.	.	239.23	C14H9NO3	46.61	239.0582431	2.2766	18	0	3	2	InChI=1S/C14H9NO3/c16-13-11-8-4-5-9-12(11)14(17)15(13)18-10-6-2-1-3-7-10/h1-9H	O=C1c2ccccc2C(=O)N1Oc1ccccc1	O=C1c2ccccc2C(=O)N1Oc1ccccc1	GAMAGVXFNJWXNG-UHFFFAOYSA-N	.
LDCM0958	Abbasov 12c	.	.	331.327	C20H13NO4	55.84	331.0844579	4.0689	25	0	4	4	InChI=1S/C20H13NO4/c22-19-17-11-4-5-12-18(17)20(23)21(19)25-16-10-6-9-15(13-16)24-14-7-2-1-3-8-14/h1-13H	O=C1c2ccccc2C(=O)N1Oc1cccc(Oc2ccccc2)c1	O=C1c2ccccc2C(=O)N1Oc1cccc(Oc2ccccc2)c1	LREMNVVJLGRYRE-UHFFFAOYSA-N	.
LDCM0959	Abbasov 12d	.	.	283.283	C16H13NO4	55.84	283.0844579	2.9217	21	0	4	4	InChI=1S/C16H13NO4/c18-15-9-10-16(19)17(15)21-14-8-4-7-13(11-14)20-12-5-2-1-3-6-12/h1-8,11H,9-10H2	O=C1CCC(=O)N1Oc1cccc(Oc2ccccc2)c1	O=C1CCC(=O)N1Oc1cccc(Oc2ccccc2)c1	FVTUVGKNUWLNDC-UHFFFAOYSA-N	.
LDCM0960	Abbasov 12e	.	.	253.257	C15H11NO3	52.21	253.0738932	2.003	19	0	4	2	InChI=1S/C15H11NO3/c17-14-12-8-4-5-9-13(12)16(15(18)19-14)10-11-6-2-1-3-7-11/h1-9H,10H2	O=c1oc(=O)n(Cc2ccccc2)c2ccccc12	O=c1oc(=O)n(Cc2ccccc2)c2ccccc12	XZNZVRHSHRYPDL-UHFFFAOYSA-N	.
LDCM0961	Abbasov 12f	.	.	207.229	C11H13NO3	46.61	207.0895433	1.5132	15	0	3	3	InChI=1S/C11H13NO3/c1-9(13)12(10(2)14)15-8-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3	CC(=O)N(OCc1ccccc1)C(C)=O	CC(=O)N(OCc1ccccc1)C(C)=O	GOEGWIWSSXISHW-UHFFFAOYSA-N	.
LDCM0962	Abbasov 13a	.	.	245.2	C11H10F3NO2	37.38	245.0663632	2.6048	17	0	2	1	InChI=1S/C11H10F3NO2/c1-7(16)15(8(2)17)10-6-4-3-5-9(10)11(12,13)14/h3-6H,1-2H3	CC(=O)N(C(C)=O)c1ccccc1C(F)(F)F	CC(=O)N(C(C)=O)c1ccccc1C(F)(F)F	NTRGLSVBUIGDSA-UHFFFAOYSA-N	.
LDCM0963	Abbasov 13b	.	.	335.325	C18H16F3NO2	37.38	335.1133134	4.2177	24	0	2	4	InChI=1S/C18H16F3NO2/c1-13(23)22(16-10-6-5-9-15(16)18(19,20)21)17(24)12-11-14-7-3-2-4-8-14/h2-10H,11-12H2,1H3	CC(=O)N(C(=O)CCc1ccccc1)c1ccccc1C(F)(F)F	CC(=O)N(C(=O)CCc1ccccc1)c1ccccc1C(F)(F)F	SYMXMTIGVYNYOS-UHFFFAOYSA-N	.
LDCM0964	Abbasov 13c	.	.	283.349	C13H17NO4S	71.52	283.087829	1.85892	19	0	4	4	InChI=1S/C13H17NO4S/c1-4-12(15)14(13(16)5-2)19(17,18)11-8-6-10(3)7-9-11/h6-9H,4-5H2,1-3H3	CCC(=O)N(C(=O)CC)S(=O)(=O)c1ccc(C)cc1	CCC(=O)N(C(=O)CC)S(=O)(=O)c1ccc(C)cc1	BHQZATHJVDMCAB-UHFFFAOYSA-N	.
LDCM0965	Abbasov 13d	.	.	493.507	C23H22F3N3O4S	89.34	493.1283118	4.73042	34	0	6	6	InChI=1S/C23H22F3N3O4S/c1-4-21(30)29(22(31)5-2)34(32,33)18-12-10-17(11-13-18)28-19(14-20(27-28)23(24,25)26)16-8-6-15(3)7-9-16/h6-14H,4-5H2,1-3H3	CCC(=O)N(C(=O)CC)S(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(C)cc2)cc1	CCC(=O)N(C(=O)CC)S(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(C)cc2)cc1	DXJRNTQEOOVIBV-UHFFFAOYSA-N	.
LDCM0966	Abbasov 14a	.	.	280.261	C11H8N2O5S	91.56	280.0153924	2.7669	19	0	7	4	InChI=1S/C11H8N2O5S/c14-11(17-5-8-6-19-7-12-8)18-10-3-1-9(2-4-10)13(15)16/h1-4,6-7H,5H2	O=C(OCc1cscn1)Oc1ccc([N+](=O)[O-])cc1	O=C(OCc1cscn1)Oc1ccc([N+](=O)[O-])cc1	CMKSGOMYRWZDEQ-UHFFFAOYSA-N	.
LDCM0967	Abbasov 14b	.	.	366.455	C11H9Cl5O3	35.53	363.8994325	6.2675	19	0	3	1	InChI=1S/C11H9Cl5O3/c1-11(2,3)19-10(17)18-9-7(15)5(13)4(12)6(14)8(9)16/h1-3H3	CC(C)(C)OC(=O)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	CC(C)(C)OC(=O)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	GHBRKMLMVFKZKW-UHFFFAOYSA-N	.
LDCM0968	Abbasov 14c	.	.	270.328	C17H18O3	35.53	270.1255944	3.9916	20	0	3	5	InChI=1S/C17H18O3/c1-19-17(18)20-13-12-16(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,16H,12-13H2,1H3	COC(=O)OCCC(c1ccccc1)c1ccccc1	COC(=O)OCCC(c1ccccc1)c1ccccc1	YVWZHRZTRABQQX-UHFFFAOYSA-N	.
LDCM0969	Abbasov 14d	.	.	301.298	C16H15NO5	78.67	301.0950226	3.66132	22	0	5	5	InChI=1S/C16H15NO5/c1-12-2-8-15(9-3-12)22-16(18)21-11-10-13-4-6-14(7-5-13)17(19)20/h2-9H,10-11H2,1H3	Cc1ccc(OC(=O)OCCc2ccc([N+](=O)[O-])cc2)cc1	Cc1ccc(OC(=O)OCCc2ccc([N+](=O)[O-])cc2)cc1	VVXKJIIIBJTUMB-UHFFFAOYSA-N	.
LDCM0970	Abbasov 14e	.	.	222.284	C13H18O3	35.53	222.1255944	3.5568	16	0	3	4	InChI=1S/C13H18O3/c1-10(2)9-15-13(14)16-11(3)12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3/t11-/m0/s1	CC(C)COC(=O)O[C@@H](C)c1ccccc1	CC(C)COC(=O)OC(C)c1ccccc1	RMNFIMGMMBQHQQ-NSHDSACASA-N	.
LDCM0971	Abbasov 14f	.	.	290.403	C18H26O3	35.53	290.1881947	4.97122	21	0	3	3	InChI=1S/C18H26O3/c1-12(2)16-10-7-14(4)11-17(16)21-18(19)20-15-8-5-13(3)6-9-15/h5-6,8-9,12,14,16-17H,7,10-11H2,1-4H3/t14-,16+,17-/m1/s1	Cc1ccc(OC(=O)O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)cc1	Cc1ccc(OC(=O)OC2CC(C)CCC2C(C)C)cc1	OXXPFLUTEZTDHO-HYVNUMGLSA-N	.
LDCM0972	Abbasov 14g	.	.	238.239	C12H14O5	72.83	238.0841235	2.7003	17	1	4	5	InChI=1S/C12H14O5/c1-2-3-8-16-12(15)17-10-6-4-9(5-7-10)11(13)14/h4-7H,2-3,8H2,1H3,(H,13,14)	CCCCOC(=O)Oc1ccc(C(=O)O)cc1	CCCCOC(=O)Oc1ccc(C(=O)O)cc1	GNBKEARJFHTJMV-UHFFFAOYSA-N	.
LDCM0973	Abbasov 15a	.	.	384.479	C25H24N2O2	41.9	384.183778	4.777	29	0	3	6	InChI=1S/C25H24N2O2/c28-24(17-16-20-10-4-1-5-11-20)27-23(18-21-12-6-2-7-13-21)19-29-25(27)26-22-14-8-3-9-15-22/h1-15,23H,16-19H2/b26-25-/t23-/m0/s1	O=C(CCc1ccccc1)N1/C(=N/c2ccccc2)OC[C@@H]1Cc1ccccc1	O=C(CCc1ccccc1)N1C(=Nc2ccccc2)OCC1Cc1ccccc1	DMCSHUHAFZIFFO-YRZCPYHYSA-N	.
LDCM0974	Abbasov 15b	.	.	326.371	C19H19FN2O2	41.9	326.1430561	4.0104	24	0	3	3	InChI=1S/C19H19FN2O2/c1-13(2)17-12-24-19(21-16-6-4-3-5-7-16)22(17)18(23)14-8-10-15(20)11-9-14/h3-11,13,17H,12H2,1-2H3/b21-19-/t17-/m0/s1	CC(C)[C@@H]1CO/C(=N\c2ccccc2)N1C(=O)c1ccc(F)cc1	CC(C)C1COC(=Nc2ccccc2)N1C(=O)c1ccc(F)cc1	XMIDAZMTSKVGOH-UFVMTTLYSA-N	.
LDCM0975	Abbasov 15c	.	.	246.31	C14H18N2O2	41.9	246.1368278	2.5774	18	0	3	2	InChI=1S/C14H18N2O2/c1-10(2)13-9-18-14(16(13)11(3)17)15-12-7-5-4-6-8-12/h4-8,10,13H,9H2,1-3H3/b15-14-/t13-/m0/s1	CC(=O)N1/C(=N/c2ccccc2)OC[C@H]1C(C)C	CC(=O)N1C(=Nc2ccccc2)OCC1C(C)C	HQAYOXXVXYCSPU-YCPJBFQXSA-N	.
LDCM0976	Abbasov 16a	.	.	235.074	C7H8Cl2N4O	51.14	234.0075162	1.015	14	0	5	1	InChI=1S/C7H8Cl2N4O/c8-5-10-6(9)12-7(11-5)13-1-3-14-4-2-13/h1-4H2	Clc1nc(Cl)nc(N2CCOCC2)n1	Clc1nc(Cl)nc(N2CCOCC2)n1	UQAMDAUJTXFNAD-UHFFFAOYSA-N	.
LDCM0977	Abbasov 16b	.	.	327.771	C17H14ClN3O2	57.13	327.0774544	3.683	23	0	5	6	InChI=1S/C17H14ClN3O2/c18-15-19-16(22-11-13-7-3-1-4-8-13)21-17(20-15)23-12-14-9-5-2-6-10-14/h1-10H,11-12H2	Clc1nc(OCc2ccccc2)nc(OCc2ccccc2)n1	Clc1nc(OCc2ccccc2)nc(OCc2ccccc2)n1	XKDFUXJROYAXAO-UHFFFAOYSA-N	.
LDCM0978	Abbasov 16c	.	.	366.759	C15H13ClF2N6O	68.96	366.0807432	2.6381	25	0	7	3	InChI=1S/C15H13ClF2N6O/c16-13-20-14(23-5-7-25-8-6-23)22-15(21-13)24-10-4-2-1-3-9(10)19-12(24)11(17)18/h1-4,11H,5-8H2	FC(F)c1nc2ccccc2n1-c1nc(Cl)nc(N2CCOCC2)n1	FC(F)c1nc2ccccc2n1-c1nc(Cl)nc(N2CCOCC2)n1	AJQZNMCGFMDKGJ-UHFFFAOYSA-N	.
LDCM0979	Abbasov 17a	.	.	237.683	C8H9ClFNO2S	46.17	237.0026554	1.6307	14	1	3	4	InChI=1S/C8H9ClFNO2S/c9-11-6-5-7-1-3-8(4-2-7)14(10,12)13/h1-4,11H,5-6H2	O=S(=O)(F)c1ccc(CCNCl)cc1	O=S(=O)(F)c1ccc(CCNCl)cc1	CINBQQMACPATNF-UHFFFAOYSA-N	.
LDCM0980	Abbasov 17b	.	.	174.196	C7H7FO2S	34.14	174.0150787	1.65322	11	0	2	1	InChI=1S/C7H7FO2S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3	Cc1ccc(S(=O)(=O)F)cc1	Cc1ccc(S(=O)(=O)F)cc1	IZZYABADQVQHLC-UHFFFAOYSA-N	.
LDCM0981	Abbasov 17c	.	.	236.267	C12H9FO2S	34.14	236.0307287	3.0118	16	0	2	2	InChI=1S/C12H9FO2S/c13-16(14,15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H	O=S(=O)(F)c1ccc(-c2ccccc2)cc1	O=S(=O)(F)c1ccc(-c2ccccc2)cc1	PNFCPDDYELHQKF-UHFFFAOYSA-N	.
LDCM0982	Abbasov 17d	.	.	185.179	C7H4FNO2S	57.93	184.9946776	1.21648	12	0	3	1	InChI=1S/C7H4FNO2S/c8-12(10,11)7-3-1-6(5-9)2-4-7/h1-4H	N#Cc1ccc(S(=O)(=O)F)cc1	N#Cc1ccc(S(=O)(=O)F)cc1	YKZXWWMBQGHLNP-UHFFFAOYSA-N	.
LDCM0983	Abbasov 17e	.	.	174.196	C7H7FO2S	34.14	174.0150787	1.4859	11	0	2	2	InChI=1S/C7H7FO2S/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2	O=S(=O)(F)Cc1ccccc1	O=S(=O)(F)Cc1ccccc1	YBYRMVIVWMBXKQ-UHFFFAOYSA-N	.
LDCM0984	Abbasov 17f	.	.	437.493	C20H24FN3O5S	88.92	437.1420701	1.03812	30	0	7	7	InChI=1S/C20H24FN3O5S/c1-16-3-2-8-24(20(16)26)14-11-22-9-12-23(13-10-22)19(25)15-29-17-4-6-18(7-5-17)30(21,27)28/h2-8H,9-15H2,1H3	Cc1cccn(CCN2CCN(C(=O)COc3ccc(S(=O)(=O)F)cc3)CC2)c1=O	Cc1cccn(CCN2CCN(C(=O)COc3ccc(S(=O)(=O)F)cc3)CC2)c1=O	LVVGHEJBRHCJFX-UHFFFAOYSA-N	.
LDCM0985	Abbasov 17g	.	.	434.449	C19H19FN4O5S	114.63	434.1060189	1.9025	30	1	8	7	InChI=1S/C19H19FN4O5S/c20-30(26,27)15-5-3-14(4-6-15)28-12-17(25)22-10-13-7-9-24(11-13)19-23-18-16(29-19)2-1-8-21-18/h1-6,8,13H,7,9-12H2,(H,22,25)/t13-/m1/s1	O=C(COc1ccc(S(=O)(=O)F)cc1)NC[C@H]1CCN(c2nc3ncccc3o2)C1	O=C(COc1ccc(S(=O)(=O)F)cc1)NCC1CCN(c2nc3ncccc3o2)C1	PNTSBDOXUVFDFJ-CYBMUJFWSA-N	.
LDCM0986	Abbasov 17h	.	.	376.409	C18H17FN2O4S	88.26	376.0893062	2.8072	26	2	4	6	InChI=1S/C18H17FN2O4S/c1-25-14-5-6-17-16(10-14)13(11-21-17)7-8-20-18(22)12-3-2-4-15(9-12)26(19,23)24/h2-6,9-11,21H,7-8H2,1H3,(H,20,22)	COc1ccc2[nH]cc(CCNC(=O)c3cccc(S(=O)(=O)F)c3)c2c1	COc1ccc2[nH]cc(CCNC(=O)c3cccc(S(=O)(=O)F)c3)c2c1	JJZWUZZTBOFWCB-UHFFFAOYSA-N	.
LDCM0987	Abbasov 17i	.	.	347.371	C16H14FN3O3S	71.75	347.0739905	2.2647	24	0	5	4	InChI=1S/C16H14FN3O3S/c1-19(10-12-5-6-15-18-7-8-20(15)11-12)16(21)13-3-2-4-14(9-13)24(17,22)23/h2-9,11H,10H2,1H3	CN(Cc1ccc2nccn2c1)C(=O)c1cccc(S(=O)(=O)F)c1	CN(Cc1ccc2nccn2c1)C(=O)c1cccc(S(=O)(=O)F)c1	NRZSBEUSGNQURD-UHFFFAOYSA-N	.
LDCM0988	Abbasov 17j	.	.	323.393	C15H18FN3O2S	66.06	323.110376	2.4475	22	1	4	4	InChI=1S/C15H18FN3O2S/c16-22(20,21)14-5-3-12(4-6-14)10-19-9-1-2-13(11-19)15-7-8-17-18-15/h3-8,13H,1-2,9-11H2,(H,17,18)/t13-/m1/s1	O=S(=O)(F)c1ccc(CN2CCC[C@@H](c3cc[nH]n3)C2)cc1	O=S(=O)(F)c1ccc(CN2CCCC(c3cc[nH]n3)C2)cc1	KQNNMODMVJCDFK-CYBMUJFWSA-N	.
LDCM0989	Abbasov 17k	.	.	388.464	C20H21FN2O3S	57.69	388.1256918	2.4605	27	0	4	3	InChI=1S/C20H21FN2O3S/c1-22-14-20(12-19(22)24)18-5-3-2-4-16(18)10-11-23(20)13-15-6-8-17(9-7-15)27(21,25)26/h2-9H,10-14H2,1H3/t20-/m1/s1	CN1C[C@]2(CC1=O)c1ccccc1CCN2Cc1ccc(S(=O)(=O)F)cc1	CN1CC2(CC1=O)c1ccccc1CCN2Cc1ccc(S(=O)(=O)F)cc1	KCOAQXVRVADYOT-HXUWFJFHSA-N	.
LDCM0990	Abbasov 17l	.	.	368.434	C16H21FN4O3S	93.95	368.1318398	1.9549	25	1	6	8	InChI=1S/C16H21FN4O3S/c1-12(2)3-6-14-11-21(20-19-14)10-9-18-16(22)13-4-7-15(8-5-13)25(17,23)24/h4-5,7-8,11-12H,3,6,9-10H2,1-2H3,(H,18,22)	CC(C)CCc1cn(CCNC(=O)c2ccc(S(=O)(=O)F)cc2)nn1	CC(C)CCc1cn(CCNC(=O)c2ccc(S(=O)(=O)F)cc2)nn1	MUNHOXHRGOYBGB-UHFFFAOYSA-N	.
LDCM0991	Abbasov 17m	.	.	391.42	C19H18FNO5S	72.91	391.0889719	3.0933	27	0	5	3	InChI=1S/C19H18FNO5S/c20-27(23,24)15-6-3-13(4-7-15)19(22)21-9-1-2-16(21)14-5-8-17-18(12-14)26-11-10-25-17/h3-8,12,16H,1-2,9-11H2/t16-/m0/s1	O=C(c1ccc(S(=O)(=O)F)cc1)N1CCC[C@H]1c1ccc2c(c1)OCCO2	O=C(c1ccc(S(=O)(=O)F)cc1)N1CCCC1c1ccc2c(c1)OCCO2	JSXCPFNTJQLMNY-INIZCTEOSA-N	.
LDCM0992	Abbasov 17n	.	.	365.382	C17H16FNO5S	81.7	365.0733218	2.1888	25	1	5	4	InChI=1S/C17H16FNO5S/c18-25(21,22)14-8-6-13(7-9-14)17(20)19-15-10-23-11-24-16(15)12-4-2-1-3-5-12/h1-9,15-16H,10-11H2,(H,19,20)/t15-,16-/m0/s1	O=C(N[C@H]1COCO[C@H]1c1ccccc1)c1ccc(S(=O)(=O)F)cc1	O=C(NC1COCOC1c1ccccc1)c1ccc(S(=O)(=O)F)cc1	JDKAGZRXLOGDNB-HOTGVXAUSA-N	.
LDCM0993	Abbasov 17o	.	.	376.497	C20H25FN2O2S	49.41	376.1620773	2.9974	26	1	4	6	InChI=1S/C20H25FN2O2S/c1-23-12-11-20(18(15-23)13-16-5-3-2-4-6-16)22-14-17-7-9-19(10-8-17)26(21,24)25/h2-10,18,20,22H,11-15H2,1H3/t18-,20+/m1/s1	CN1CC[C@H](NCc2ccc(S(=O)(=O)F)cc2)[C@H](Cc2ccccc2)C1	CN1CCC(NCc2ccc(S(=O)(=O)F)cc2)C(Cc2ccccc2)C1	HFXLJWFTLPZZNB-QUCCMNQESA-N	.
LDCM0994	Abbasov 17p	.	.	398.419	C19H15FN4O3S	92.26	398.0848896	3.3495	28	1	5	3	InChI=1S/C19H15FN4O3S/c20-28(26,27)16-8-4-7-15(9-16)22-19(25)24-11-14-10-21-18(23-17(14)12-24)13-5-2-1-3-6-13/h1-10H,11-12H2,(H,22,25)	O=C(Nc1cccc(S(=O)(=O)F)c1)N1Cc2cnc(-c3ccccc3)nc2C1	O=C(Nc1cccc(S(=O)(=O)F)c1)N1Cc2cnc(-c3ccccc3)nc2C1	XTMVBBBJXNXVNN-UHFFFAOYSA-N	.
LDCM0995	Abbasov 17q	.	.	416.434	C19H17FN4O4S	110.16	416.0954542	2.3902	29	2	6	6	InChI=1S/C19H17FN4O4S/c20-29(27,28)16-8-6-15(7-9-16)22-19(26)21-12-13-24-18(25)11-10-17(23-24)14-4-2-1-3-5-14/h1-11H,12-13H2,(H2,21,22,26)	O=C(NCCn1nc(-c2ccccc2)ccc1=O)Nc1ccc(S(=O)(=O)F)cc1	O=C(NCCn1nc(-c2ccccc2)ccc1=O)Nc1ccc(S(=O)(=O)F)cc1	FMMXJHSRPYBYAV-UHFFFAOYSA-N	.
LDCM0996	Abbasov 17r	.	.	514.587	C23H27FN8O3S	136.21	514.1910859	2.1607	36	3	9	8	InChI=1S/C23H27FN8O3S/c1-25-22(33)19-13-20(27-21-12-18(29-30-21)16-4-5-16)28-23(26-19)32-10-8-31(9-11-32)14-15-2-6-17(7-3-15)36(24,34)35/h2-3,6-7,12-13,16H,4-5,8-11,14H2,1H3,(H,25,33)(H2,26,27,28,29,30)	CNC(=O)c1cc(Nc2cc(C3CC3)[nH]n2)nc(N2CCN(Cc3ccc(S(=O)(=O)F)cc3)CC2)n1	CNC(=O)c1cc(Nc2cc(C3CC3)[nH]n2)nc(N2CCN(Cc3ccc(S(=O)(=O)F)cc3)CC2)n1	YRXRETRUTHANPI-UHFFFAOYSA-N	.
LDCM0997	Abbasov 17s	.	.	307.39	C16H18FNO2S	37.38	307.104228	2.9881	21	0	3	7	InChI=1S/C16H18FNO2S/c17-21(19,20)12-11-18(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16/h1-10H,11-14H2	O=S(=O)(F)CCN(Cc1ccccc1)Cc1ccccc1	O=S(=O)(F)CCN(Cc1ccccc1)Cc1ccccc1	GYEHAJHAIPLQKL-UHFFFAOYSA-N	.
LDCM0998	Abbasov 17t	.	.	243.303	C11H14FNO2S	37.38	243.0729279	1.7385	16	0	3	3	InChI=1S/C11H14FNO2S/c12-16(14,15)9-8-13-7-3-5-10-4-1-2-6-11(10)13/h1-2,4,6H,3,5,7-9H2	O=S(=O)(F)CCN1CCCc2ccccc21	O=S(=O)(F)CCN1CCCc2ccccc21	AGSCNRSIIZDPMQ-UHFFFAOYSA-N	.
LDCM0999	Abbasov 18a	.	.	362.426	C18H19FN2O3S	61.19	362.1100417	4.3513	25	0	5	7	InChI=1S/C18H19FN2O3S/c1-2-3-4-9-18-20-16-7-5-6-8-17(16)21(18)14-10-12-15(13-11-14)24-25(19,22)23/h5-8,10-13H,2-4,9H2,1H3	CCCCCc1nc2ccccc2n1-c1ccc(OS(=O)(=O)F)cc1	CCCCCc1nc2ccccc2n1-c1ccc(OS(=O)(=O)F)cc1	MIFRGSAEWZTJIX-UHFFFAOYSA-N	.
LDCM1000	Abbasov 18b	.	.	321.285	C14H8FNO5S	86.47	321.0107216	2.4481	22	0	6	3	InChI=1S/C14H8FNO5S/c15-22(18,19)21-10-1-2-11-12(9-3-5-16-6-4-9)8-14(17)20-13(11)7-10/h1-8H	O=c1cc(-c2ccncc2)c2ccc(OS(=O)(=O)F)cc2o1	O=c1cc(-c2ccncc2)c2ccc(OS(=O)(=O)F)cc2o1	OMWLGHCKMPRBGS-UHFFFAOYSA-N	.
LDCM1001	Abbasov 18c	.	.	339.369	C14H10FNO4S2	65.49	339.003528	3.565	22	0	6	4	InChI=1S/C14H10FNO4S2/c1-19-9-6-7-10(12(8-9)20-22(15,17)18)14-16-11-4-2-3-5-13(11)21-14/h2-8H,1H3	COc1ccc(-c2nc3ccccc3s2)c(OS(=O)(=O)F)c1	COc1ccc(-c2nc3ccccc3s2)c(OS(=O)(=O)F)c1	HJIVDLDJMJDYKU-UHFFFAOYSA-N	.
LDCM1002	Abbasov 19a	.	.	367.402	C16H18FN3O4S	81.62	367.1002053	1.7939	25	0	6	6	InChI=1S/C16H18FN3O4S/c1-23-15-5-3-2-4-13(15)14-10-20(25(17,21)22)9-12(14)11-24-16-8-18-6-7-19-16/h2-8,12,14H,9-11H2,1H3/t12-,14-/m0/s1	COc1ccccc1[C@H]1CN(S(=O)(=O)F)C[C@H]1COc1cnccn1	COc1ccccc1C1CN(S(=O)(=O)F)CC1COc1cnccn1	VYQBNQBZINPYRV-JSGCOSHPSA-N	.
LDCM1003	Abbasov 19b	.	.	310.354	C13H15FN4O2S	78.95	310.0899749	1.8654	21	1	4	3	InChI=1S/C13H15FN4O2S/c14-21(19,20)18-7-1-2-11(9-18)13-12(8-16-17-13)10-3-5-15-6-4-10/h3-6,8,11H,1-2,7,9H2,(H,16,17)/t11-/m1/s1	O=S(=O)(F)N1CCC[C@@H](c2n[nH]cc2-c2ccncc2)C1	O=S(=O)(F)N1CCCC(c2n[nH]cc2-c2ccncc2)C1	JXFUJPHGXDYXDL-LLVKDONJSA-N	.
LDCM1004	Abbasov 19c	.	.	353.419	C16H20FN3O3S	66.65	353.1209407	2.29034	24	0	5	4	InChI=1S/C16H20FN3O3S/c1-12-3-4-14(9-13(12)2)16-10-15(23-18-16)11-19-5-7-20(8-6-19)24(17,21)22/h3-4,9-10H,5-8,11H2,1-2H3	Cc1ccc(-c2cc(CN3CCN(S(=O)(=O)F)CC3)on2)cc1C	Cc1ccc(-c2cc(CN3CCN(S(=O)(=O)F)CC3)on2)cc1C	RPEQXUUGCYRABO-UHFFFAOYSA-N	.
LDCM1005	Abbasov 19d	.	.	391.468	C19H22FN3O3S	70.58	391.1365908	2.6792	27	0	4	8	InChI=1S/C19H22FN3O3S/c20-27(25,26)22(14-16-4-2-1-3-5-16)13-10-18-6-7-19(24)23(18)15-17-8-11-21-12-9-17/h1-5,8-9,11-12,18H,6-7,10,13-15H2/t18-/m1/s1	O=C1CC[C@H](CCN(Cc2ccccc2)S(=O)(=O)F)N1Cc1ccncc1	O=C1CCC(CCN(Cc2ccccc2)S(=O)(=O)F)N1Cc1ccncc1	RZMYAGHPEVLDHE-GOSISDBHSA-N	.
LDCM1006	Abbasov 19e	.	.	311.338	C13H14FN3O3S	76.3	311.0739905	2.0116	21	0	5	4	InChI=1S/C13H14FN3O3S/c14-21(18,19)17-8-4-7-11(17)13-16-15-12(20-13)9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2/t11-/m0/s1	O=S(=O)(F)N1CCC[C@H]1c1nnc(Cc2ccccc2)o1	O=S(=O)(F)N1CCCC1c1nnc(Cc2ccccc2)o1	LRMYOSLPISLHJL-NSHDSACASA-N	.
LDCM1007	Abbasov 19f	.	.	385.303	C10H11F4N7O3S	129.12	385.0580211	-0.2626	25	1	9	3	InChI=1S/C10H11F4N7O3S/c11-10(12,13)9-16-7(15)6-8(17-9)21(19-18-6)4-5-3-20(1-2-24-5)25(14,22)23/h5H,1-4H2,(H2,15,16,17)/t5-/m1/s1	Nc1nc(C(F)(F)F)nc2c1nnn2C[C@H]1CN(S(=O)(=O)F)CCO1	Nc1nc(C(F)(F)F)nc2c1nnn2CC1CN(S(=O)(=O)F)CCO1	QVOVNOPHXBDJBG-RXMQYKEDSA-N	.
LDCM1008	Abbasov 19g	.	.	314.338	C13H15FN2O4S	75.71	314.0736562	1.1589	21	1	4	2	InChI=1S/C13H15FN2O4S/c14-21(18,19)16-5-6-20-12(8-16)10-1-3-11-9(7-10)2-4-13(17)15-11/h1,3,7,12H,2,4-6,8H2,(H,15,17)/t12-/m0/s1	O=C1CCc2cc([C@@H]3CN(S(=O)(=O)F)CCO3)ccc2N1	O=C1CCc2cc(C3CN(S(=O)(=O)F)CCO3)ccc2N1	SCLFEWXNRDHOGJ-LBPRGKRZSA-N	.
LDCM1009	Abbasov 20a	.	.	333.796	C16H12ClNO3S	60.17	333.0226419	4.24452	22	0	4	3	InChI=1S/C16H12ClNO3S/c1-11-15(12-7-9-14(10-8-12)22(17,19)20)16(18-21-11)13-5-3-2-4-6-13/h2-10H,1H3	Cc1onc(-c2ccccc2)c1-c1ccc(S(=O)(=O)Cl)cc1	Cc1onc(-c2ccccc2)c1-c1ccc(S(=O)(=O)Cl)cc1	NVKQPOHDVWNXRP-UHFFFAOYSA-N	.
LDCM1010	Abbasov 20b	.	.	330.74	C9H6ClF3N2O2S2	51.96	329.9511318	3.0949	19	0	5	2	InChI=1S/C9H6ClF3N2O2S2/c1-15-7(9(11,12)13)4-5(14-15)6-2-3-8(18-6)19(10,16)17/h2-4H,1H3	Cn1nc(-c2ccc(S(=O)(=O)Cl)s2)cc1C(F)(F)F	Cn1nc(-c2ccc(S(=O)(=O)Cl)s2)cc1C(F)(F)F	BWVNHXIGDZASCP-UHFFFAOYSA-N	.
LDCM1011	Abbasov 20c	.	.	337.706	C12H7ClF3NO3S	56.26	336.9787264	3.8202	21	0	4	3	InChI=1S/C12H7ClF3NO3S/c13-21(18,19)10-4-2-9(3-5-10)20-11-6-1-8(7-17-11)12(14,15)16/h1-7H	O=S(=O)(Cl)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1	O=S(=O)(Cl)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1	XEMAYRPWJCLKBQ-UHFFFAOYSA-N	.
LDCM1012	Abbasov 21a	.	.	351.472	C17H25N3O3S	74.08	351.1616627	3.4921	24	0	6	10	InChI=1S/C17H25N3O3S/c1-3-4-5-6-7-8-13-24(21,22)20-14-17(18-19-20)15-9-11-16(23-2)12-10-15/h9-12,14H,3-8,13H2,1-2H3	CCCCCCCCS(=O)(=O)n1cc(-c2ccc(OC)cc2)nn1	CCCCCCCCS(=O)(=O)n1cc(-c2ccc(OC)cc2)nn1	LGTJWXHYMSBNEC-UHFFFAOYSA-N	.
LDCM1013	Abbasov 21b	.	.	320.458	C17H24N2O2S	51.96	320.155849	4.0885	22	0	4	9	InChI=1S/C17H24N2O2S/c1-2-3-4-5-6-10-15-22(20,21)19-14-13-17(18-19)16-11-8-7-9-12-16/h7-9,11-14H,2-6,10,15H2,1H3	CCCCCCCCS(=O)(=O)n1ccc(-c2ccccc2)n1	CCCCCCCCS(=O)(=O)n1ccc(-c2ccccc2)n1	ITTAPNTVCAGSQS-UHFFFAOYSA-N	.
LDCM1014	Abbasov 21c	.	.	320.458	C17H24N2O2S	51.96	320.155849	4.0885	22	0	4	9	InChI=1S/C17H24N2O2S/c1-2-3-4-5-6-10-13-22(20,21)19-14-17(18-15-19)16-11-8-7-9-12-16/h7-9,11-12,14-15H,2-6,10,13H2,1H3	CCCCCCCCS(=O)(=O)n1cnc(-c2ccccc2)c1	CCCCCCCCS(=O)(=O)n1cnc(-c2ccccc2)c1	URCWXCJLUOHSCX-UHFFFAOYSA-N	.
LDCM1015	Abbasov 21d	.	.	343.408	C17H17N3O3S	74.08	343.0990624	2.3743	24	0	6	6	InChI=1S/C17H17N3O3S/c1-23-16-9-7-15(8-10-16)17-13-20(19-18-17)24(21,22)12-11-14-5-3-2-4-6-14/h2-10,13H,11-12H2,1H3	COc1ccc(-c2cn(S(=O)(=O)CCc3ccccc3)nn2)cc1	COc1ccc(-c2cn(S(=O)(=O)CCc3ccccc3)nn2)cc1	FNUMUEOKJSPBDL-UHFFFAOYSA-N	.
LDCM1016	Abbasov 21e	.	.	312.394	C17H16N2O2S	51.96	312.0932488	2.9707	22	0	4	5	InChI=1S/C17H16N2O2S/c20-22(21,14-12-15-7-3-1-4-8-15)19-13-11-17(18-19)16-9-5-2-6-10-16/h1-11,13H,12,14H2	O=S(=O)(CCc1ccccc1)n1ccc(-c2ccccc2)n1	O=S(=O)(CCc1ccccc1)n1ccc(-c2ccccc2)n1	GQENYOHMEJYUGR-UHFFFAOYSA-N	.
LDCM1017	Abbasov 21f	.	.	312.394	C17H16N2O2S	51.96	312.0932488	2.9707	22	0	4	5	InChI=1S/C17H16N2O2S/c20-22(21,12-11-15-7-3-1-4-8-15)19-13-17(18-14-19)16-9-5-2-6-10-16/h1-10,13-14H,11-12H2	O=S(=O)(CCc1ccccc1)n1cnc(-c2ccccc2)c1	O=S(=O)(CCc1ccccc1)n1cnc(-c2ccccc2)c1	OXWHKPHMEUEOEW-UHFFFAOYSA-N	.
LDCM1018	Abbasov 22a	.	.	461.543	C25H23N3O4S	83.35	461.1409272	4.2592	33	0	5	8	InChI=1S/C25H23N3O4S/c29-25(32-19-24(22-12-6-2-7-13-22)23-14-8-3-9-15-23)26-33(30,31)28-17-16-27(20-28)18-21-10-4-1-5-11-21/h1-17,20,24H,18-19H2	O=C([N-]S(=O)(=O)n1cc[n+](Cc2ccccc2)c1)OCC(c1ccccc1)c1ccccc1	O=C([N-]S(=O)(=O)n1cc[n+](Cc2ccccc2)c1)OCC(c1ccccc1)c1ccccc1	KBJZIDKCHPCVBU-UHFFFAOYSA-N	.
LDCM1019	Abbasov 22b	.	.	363.317	C13H12F3N3O4S	83.35	363.0500615	2.2194	24	0	5	4	InChI=1S/C13H12F3N3O4S/c1-18-7-8-19(9-18)24(21,22)17-12(20)23-11(13(14,15)16)10-5-3-2-4-6-10/h2-9,11H,1H3/t11-/m1/s1	C[n+]1ccn(S(=O)(=O)[N-]C(=O)O[C@H](c2ccccc2)C(F)(F)F)c1	C[n+]1ccn(S(=O)(=O)[N-]C(=O)OC(c2ccccc2)C(F)(F)F)c1	SSHWGZOVLZRVKM-LLVKDONJSA-N	.
LDCM1020	Abbasov 22c	.	.	357.476	C16H27N3O4S	80.79	357.1722273	2.7649	24	0	4	3	InChI=1S/C16H27N3O4S/c20-16(23-14-8-3-1-4-9-14)17-24(21,22)19-13-7-12-18-11-6-2-5-10-15(18)19/h14H,1-13H2	O=C([N-]S(=O)(=O)N1CCC[N+]2=C1CCCCC2)OC1CCCCC1	O=C([N-]S(=O)(=O)N1CCC[N+]2=C1CCCCC2)OC1CCCCC1	OBGQEMMXXXCCCV-UHFFFAOYSA-N	.
LDCM1021	Abbasov 22d	.	.	327.406	C14H21N3O4S	82.48	327.1252772	1.4558	22	0	5	3	InChI=1S/C14H21N3O4S/c1-16(2)12-8-10-17(11-9-12)22(19,20)15-14(18)21-13-6-4-3-5-7-13/h8-11,13H,3-7H2,1-2H3	C[N+](C)=c1ccn(S(=O)(=O)[N-]C(=O)OC2CCCCC2)cc1	C[N+](C)=c1ccn(S(=O)(=O)[N-]C(=O)OC2CCCCC2)cc1	NFFBMTQDIAJNLH-UHFFFAOYSA-N	.
LDCM1022	Abbasov 23a	.	.	303.137	C9H7BrN2O3S	61.19	301.9360752	1.8175	16	0	5	3	InChI=1S/C9H7BrN2O3S/c10-8-1-3-9(4-2-8)15-16(13,14)12-6-5-11-7-12/h1-7H	O=S(=O)(Oc1ccc(Br)cc1)n1ccnc1	O=S(=O)(Oc1ccc(Br)cc1)n1ccnc1	JPIPRZMFWIESNN-UHFFFAOYSA-N	.
LDCM1023	Abbasov 23b	.	.	292.36	C14H16N2O3S	61.19	292.0881634	2.7126	20	0	5	4	InChI=1S/C14H16N2O3S/c17-20(18,16-10-9-15-11-16)19-14-7-5-13(6-8-14)12-3-1-2-4-12/h5-12H,1-4H2	O=S(=O)(Oc1ccc(C2CCCC2)cc1)n1ccnc1	O=S(=O)(Oc1ccc(C2CCCC2)cc1)n1ccnc1	BZMSNTCBHDFKHU-UHFFFAOYSA-N	.
LDCM1024	Abbasov 23c	.	.	289.316	C13H11N3O3S	74.08	289.0521122	1.55722	20	0	6	3	InChI=1S/C13H11N3O3S/c1-10-6-8-11(9-7-10)20(17,18)19-16-13-5-3-2-4-12(13)14-15-16/h2-9H,1H3	Cc1ccc(S(=O)(=O)On2nnc3ccccc32)cc1	Cc1ccc(S(=O)(=O)On2nnc3ccccc32)cc1	BLBFIFDDXNMRFP-UHFFFAOYSA-N	.
LDCM1025	Abbasov 23d	.	.	314.319	C12H14N2O6S	88.88	314.0572572	1.0808	21	0	8	6	InChI=1S/C12H14N2O6S/c1-17-10-6-9(7-11(18-2)12(10)19-3)20-21(15,16)14-5-4-13-8-14/h4-8H,1-3H3	COc1cc(OS(=O)(=O)n2ccnc2)cc(OC)c1OC	COc1cc(OS(=O)(=O)n2ccnc2)cc(OC)c1OC	GJQUWQVJFZQIEQ-UHFFFAOYSA-N	.
LDCM1026	Abbasov 24a	.	.	218.238	C6H10N4O3S	77.32	218.0473612	-1.2968	14	0	6	2	InChI=1S/C6H10N4O3S/c11-14(12,10-6-7-5-8-10)9-1-3-13-4-2-9/h5-6H,1-4H2	O=S(=O)(N1CCOCC1)n1cncn1	O=S(=O)(N1CCOCC1)n1cncn1	GCEHCMPHLHQMJJ-UHFFFAOYSA-N	.
LDCM1027	Abbasov 24b	.	.	215.278	C8H13N3O2S	55.2	215.0728477	0.4619	14	0	4	2	InChI=1S/C8H13N3O2S/c12-14(13,11-8-4-5-9-11)10-6-2-1-3-7-10/h4-5,8H,1-3,6-7H2	O=S(=O)(N1CCCCC1)n1cccn1	O=S(=O)(N1CCCCC1)n1cccn1	MPXMUCPRTBVTED-UHFFFAOYSA-N	.
LDCM1028	Abbasov 24c	.	.	305.403	C15H19N3O2S	55.2	305.1197978	2.3749	21	0	4	3	InChI=1S/C15H19N3O2S/c1-13-7-10-17(11-8-13)21(19,20)18-12-9-15(16-18)14-5-3-2-4-6-14/h2-6,9,12-13H,7-8,10-11H2,1H3	CC1CCN(S(=O)(=O)n2ccc(-c3ccccc3)n2)CC1	CC1CCN(S(=O)(=O)n2ccc(-c3ccccc3)n2)CC1	CDCOMQVUECKDJQ-UHFFFAOYSA-N	.
LDCM1029	Abbasov 25a	.	.	289.316	C13H11N3O3S	66.12	289.0521122	1.8457	20	0	6	4	InChI=1S/C13H11N3O3S/c17-20(18,16-10-7-14-11-16)19-13-5-3-12(4-6-13)15-8-1-2-9-15/h1-11H	O=S(=O)(Oc1ccc(-n2cccc2)cc1)n1ccnc1	O=S(=O)(Oc1ccc(-n2cccc2)cc1)n1ccnc1	OUVIYZLAQXKMDC-UHFFFAOYSA-N	.
LDCM1030	Abbasov 25b	.	.	323.248	C11H8F3NO5S	80.75	323.007528	1.4747	21	0	5	3	InChI=1S/C11H8F3NO5S/c12-11(13,14)7-2-1-3-8(6-7)21(18,19)20-15-9(16)4-5-10(15)17/h1-3,6H,4-5H2	O=C1CCC(=O)N1OS(=O)(=O)c1cccc(C(F)(F)F)c1	O=C1CCC(=O)N1OS(=O)(=O)c1cccc(C(F)(F)F)c1	HBZJGLQDQWYAPQ-UHFFFAOYSA-N	.
LDCM1031	Abbasov 26a	.	.	244.29	C15H16O3	51.21	244.1099444	2.1266	18	0	3	4	InChI=1S/C15H16O3/c16-12-7-4-8-13(17)15(12)14(18)10-9-11-5-2-1-3-6-11/h1-3,5-6,15H,4,7-10H2	O=C1CCCC(=O)C1C(=O)CCc1ccccc1	O=C1CCCC(=O)C1C(=O)CCc1ccccc1	ZUQGGYYTTZREMA-UHFFFAOYSA-N	.
LDCM1032	Abbasov 26b	.	.	327.767	C18H14ClNO3	64.1	327.066221	3.2497	23	0	4	3	InChI=1S/C18H14ClNO3/c19-16-7-6-12(10-20-16)18(23)17-14(21)8-13(9-15(17)22)11-4-2-1-3-5-11/h1-7,10,13,17H,8-9H2	O=C1CC(c2ccccc2)CC(=O)C1C(=O)c1ccc(Cl)nc1	O=C1CC(c2ccccc2)CC(=O)C1C(=O)c1ccc(Cl)nc1	BFCJUZGKHXHMRY-UHFFFAOYSA-N	.
LDCM1033	Abbasov 26c	.	.	364.397	C22H20O5	69.67	364.1310737	3.249	27	0	5	5	InChI=1S/C22H20O5/c23-17(8-6-14-4-2-1-3-5-14)22-18(24)10-16(11-19(22)25)15-7-9-20-21(12-15)27-13-26-20/h1-5,7,9,12,16,22H,6,8,10-11,13H2	O=C(CCc1ccccc1)C1C(=O)CC(c2ccc3c(c2)OCO3)CC1=O	O=C(CCc1ccccc1)C1C(=O)CC(c2ccc3c(c2)OCO3)CC1=O	WJPDGSNPPDJFIK-UHFFFAOYSA-N	.
LDCM1034	Abbasov 26d	.	.	471.397	C23H19F6NO3	54.45	471.1269128	5.3049	33	0	4	4	InChI=1S/C23H19F6NO3/c1-30(2)17-5-3-12(4-6-17)13-9-18(31)20(19(32)10-13)21(33)14-7-15(22(24,25)26)11-16(8-14)23(27,28)29/h3-8,11,13,20H,9-10H2,1-2H3	CN(C)c1ccc(C2CC(=O)C(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C(=O)C2)cc1	CN(C)c1ccc(C2CC(=O)C(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C(=O)C2)cc1	MAGYIYXLYUZVTO-UHFFFAOYSA-N	.
LDCM1035	Abbasov 26e	.	.	224.3	C13H20O3	51.21	224.1412445	2.176	16	0	3	3	InChI=1S/C13H20O3/c1-8(2)5-9(14)12-10(15)6-13(3,4)7-11(12)16/h8,12H,5-7H2,1-4H3	CC(C)CC(=O)C1C(=O)CC(C)(C)CC1=O	CC(C)CC(=O)C1C(=O)CC(C)(C)CC1=O	HNPWTDUZIXAJSA-UHFFFAOYSA-N	.
LDCM1036	Abbasov 26f	.	.	196.246	C11H16O3	51.21	196.1099444	1.5399	14	0	3	3	InChI=1S/C11H16O3/c1-7(12)11(8(2)13)9-5-3-4-6-10(9)14/h9,11H,3-6H2,1-2H3/t9-/m1/s1	CC(=O)C(C(C)=O)[C@@H]1CCCCC1=O	CC(=O)C(C(C)=O)C1CCCCC1=O	YGWILYQBKMRZQK-SECBINFHSA-N	.
LDCM1037	Abbasov 26g	.	.	320.388	C21H20O3	51.21	320.1412445	4.1277	24	0	3	5	InChI=1S/C21H20O3/c22-18-14-8-7-13-17(18)19(20(23)15-9-3-1-4-10-15)21(24)16-11-5-2-6-12-16/h1-6,9-12,17,19H,7-8,13-14H2/t17-/m1/s1	O=C(c1ccccc1)C(C(=O)c1ccccc1)[C@@H]1CCCCC1=O	O=C1CCCCC1C(C(=O)c1ccccc1)C(=O)c1ccccc1	HYZVNAOIZAPMJK-QGZVFWFLSA-N	.
LDCM1038	Abbasov 26h	.	.	340.419	C21H24O4	68.28	340.1674592	3.112	25	0	4	5	InChI=1S/C21H24O4/c22-16-8-4-9-17(23)20(16)15(13-12-14-6-2-1-3-7-14)21-18(24)10-5-11-19(21)25/h1-3,6-7,15,20-21H,4-5,8-13H2	O=C1CCCC(=O)C1C(CCc1ccccc1)C1C(=O)CCCC1=O	O=C1CCCC(=O)C1C(CCc1ccccc1)C1C(=O)CCCC1=O	JXWANVBLXIIXST-UHFFFAOYSA-N	.
LDCM1039	Abbasov 26i	.	.	397.471	C23H27NO5	80.75	397.188923	2.4834	29	0	6	4	InChI=1S/C23H27NO5/c25-17-3-1-4-18(26)22(17)21(23-19(27)5-2-6-20(23)28)15-7-9-16(10-8-15)24-11-13-29-14-12-24/h7-10,21-23H,1-6,11-14H2	O=C1CCCC(=O)C1C(c1ccc(N2CCOCC2)cc1)C1C(=O)CCCC1=O	O=C1CCCC(=O)C1C(c1ccc(N2CCOCC2)cc1)C1C(=O)CCCC1=O	YIFUWKAILJUKGD-UHFFFAOYSA-N	.
LDCM1040	Abbasov 26j	.	.	238.242	C15H10O3	51.21	238.0629942	2.3213	18	0	3	4	InChI=1S/C15H10O3/c16-13(11-7-3-1-4-8-11)15(18)14(17)12-9-5-2-6-10-12/h1-10H	O=C(C(=O)c1ccccc1)C(=O)c1ccccc1	O=C(C(=O)c1ccccc1)C(=O)c1ccccc1	RXVBJUZEFSAYPW-UHFFFAOYSA-N	.
LDCM1041	Abbasov 26k	.	.	439.553	C22H37N3O6	113.09	439.2682359	3.2577	31	1	6	12	InChI=1S/C22H37N3O6/c1-22(2,3)31-20(29)23-15-13-11-9-7-6-8-10-12-14-16(26)17-18(27)24(4)21(30)25(5)19(17)28/h17H,6-15H2,1-5H3,(H,23,29)	CN1C(=O)C(C(=O)CCCCCCCCCCNC(=O)OC(C)(C)C)C(=O)N(C)C1=O	CN1C(=O)C(C(=O)CCCCCCCCCCNC(=O)OC(C)(C)C)C(=O)N(C)C1=O	XMHOYZVHUSISFD-UHFFFAOYSA-N	.
LDCM1042	Abbasov 26l	.	.	334.347	C17H19FN2O4	74.76	334.1328853	1.7742	24	0	4	6	InChI=1S/C17H19FN2O4/c1-19-15(22)14(16(23)20(2)17(19)24)13(21)6-4-3-5-11-7-9-12(18)10-8-11/h7-10,14H,3-6H2,1-2H3	CN1C(=O)C(C(=O)CCCCc2ccc(F)cc2)C(=O)N(C)C1=O	CN1C(=O)C(C(=O)CCCCc2ccc(F)cc2)C(=O)N(C)C1=O	DCTXFFPGCSPLPB-UHFFFAOYSA-N	.
LDCM1043	Abbasov 26m	.	.	254.307	C12H14O4S	68.28	254.0612799	1.31532	17	0	4	4	InChI=1S/C12H14O4S/c1-8-4-6-11(7-5-8)17(15,16)12(9(2)13)10(3)14/h4-7,12H,1-3H3	CC(=O)C(C(C)=O)S(=O)(=O)c1ccc(C)cc1	CC(=O)C(C(C)=O)S(=O)(=O)c1ccc(C)cc1	IMOLEVFIAYZCOS-UHFFFAOYSA-N	.
LDCM1044	Abbasov 26n	.	.	316.378	C17H16O4S	68.28	316.07693	2.60922	22	0	4	5	InChI=1S/C17H16O4S/c1-12-8-10-15(11-9-12)22(20,21)17(13(2)18)16(19)14-6-4-3-5-7-14/h3-11,17H,1-2H3/t17-/m0/s1	CC(=O)[C@@H](C(=O)c1ccccc1)S(=O)(=O)c1ccc(C)cc1	CC(=O)C(C(=O)c1ccccc1)S(=O)(=O)c1ccc(C)cc1	UMCAIYRIAMDMFG-KRWDZBQOSA-N	.
LDCM1045	Abbasov 26o	.	.	296.388	C15H20O4S	68.28	296.1082301	2.34152	20	0	4	6	InChI=1S/C15H20O4S/c1-10(2)9-14(17)15(12(4)16)20(18,19)13-7-5-11(3)6-8-13/h5-8,10,15H,9H2,1-4H3/t15-/m0/s1	CC(=O)[C@@H](C(=O)CC(C)C)S(=O)(=O)c1ccc(C)cc1	CC(=O)C(C(=O)CC(C)C)S(=O)(=O)c1ccc(C)cc1	KLOKURZBENRWRE-HNNXBMFYSA-N	.
LDCM1046	Abbasov 26p	.	.	332.4	C18H24N2O4	74.76	332.1736072	1.8286	24	0	4	3	InChI=1S/C18H24N2O4/c1-19-15(22)14(16(23)20(2)17(19)24)13(21)9-18-6-10-3-11(7-18)5-12(4-10)8-18/h10-12,14H,3-9H2,1-2H3	CN1C(=O)C(C(=O)CC23CC4CC(CC(C4)C2)C3)C(=O)N(C)C1=O	CN1C(=O)C(C(=O)CC23CC4CC(CC(C4)C2)C3)C(=O)N(C)C1=O	ZDWQYZIHZHZNDT-UHFFFAOYSA-N	.
LDCM1047	Abbasov 26q	.	.	404.588	C21H33KO5	94.5	404.1965058	-0.4085	27	1	5	10	InChI=1S/C21H34O5.K/c1-12(2)7-9-15-19(24)18(16(22)11-14(5)6)20(25)21(15,26)17(23)10-8-13(3)4;/h12-15,25-26H,7-11H2,1-6H3;/q;+1/p-1/t15-,21+;/m0./s1	CC(C)CCC(=O)[C@@]1(O)C([O-])=C(C(=O)CC(C)C)C(=O)[C@@H]1CCC(C)C.[K+]	CC(C)CCC(=O)C1(O)C([O-])=C(C(=O)CC(C)C)C(=O)C1CCC(C)C.[K+]	GSYUJDSXIXKQIB-QWABXWKJSA-M	.
LDCM1048	Abbasov 27a	.	.	301.345	C20H15NO2	37.38	301.1102787	4.7814	23	0	3	5	InChI=1S/C20H15NO2/c22-14-16-11-12-20(13-17(16)15-23)21(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-15H	O=Cc1ccc(N(c2ccccc2)c2ccccc2)cc1C=O	O=Cc1ccc(N(c2ccccc2)c2ccccc2)cc1C=O	VTQLNPWCCHKCKF-UHFFFAOYSA-N	.
LDCM1049	Abbasov 27b	.	.	254.241	C15H10O4	60.44	254.0579088	2.9164	19	0	4	5	InChI=1S/C15H10O4/c16-8-11-6-7-15(14(10-18)13(11)9-17)19-12-4-2-1-3-5-12/h1-10H	O=Cc1ccc(Oc2ccccc2)c(C=O)c1C=O	O=Cc1ccc(Oc2ccccc2)c(C=O)c1C=O	JODDSVMKABYFFE-UHFFFAOYSA-N	.
LDCM1050	Abbasov 27c	.	.	251.241	C15H9NO3	60.17	251.0582431	2.8713	19	0	4	3	InChI=1S/C15H9NO3/c17-9-13-11(15(18)14-6-3-7-19-14)8-10-4-1-2-5-12(10)16-13/h1-9H	O=Cc1nc2ccccc2cc1C(=O)c1ccco1	O=Cc1nc2ccccc2cc1C(=O)c1ccco1	PNCHURHVMDRFTR-UHFFFAOYSA-N	.
LDCM1051	Abbasov 27d	.	.	184.194	C12H8O2	34.14	184.0524295	2.4648	14	0	2	2	InChI=1S/C12H8O2/c13-7-11-5-9-3-1-2-4-10(9)6-12(11)8-14/h1-8H	O=Cc1cc2ccccc2cc1C=O	O=Cc1cc2ccccc2cc1C=O	ZIPLKLQPLOWLTM-UHFFFAOYSA-N	.
LDCM1052	Abbasov 28a	.	.	182.131	C8H6O5	94.83	182.0215233	0.4284	13	3	5	2	InChI=1S/C8H6O5/c9-2-4-6(11)1-7(12)5(3-10)8(4)13/h1-3,11-13H	O=Cc1c(O)cc(O)c(C=O)c1O	O=Cc1c(O)cc(O)c(C=O)c1O	XMOLQZRXGOOMRJ-UHFFFAOYSA-N	.
LDCM1053	Abbasov 28b	.	.	342.259	C17H10O8	141.36	342.0375673	0.3444	25	4	8	2	InChI=1S/C17H10O8/c18-5-8-12(20)9(6-19)14-11(13(8)21)16(23)15(22)7-3-1-2-4-10(7)17(16,24)25-14/h1-6,20-21,23-24H/t16-,17-/m1/s1	O=Cc1c(O)c(C=O)c2c(c1O)[C@@]1(O)C(=O)c3ccccc3[C@@]1(O)O2	O=Cc1c(O)c(C=O)c2c(c1O)C1(O)C(=O)c3ccccc3C1(O)O2	JPFLNYPUHHOVJL-IAGOWNOFSA-N	.
LDCM1054	Abbasov 28c	.	.	210.185	C10H10O5	94.83	210.0528234	1.2086	15	3	5	2	InChI=1S/C10H10O5/c1-4(11)8-6(13)3-7(14)9(5(2)12)10(8)15/h3,13-15H,1-2H3	CC(=O)c1c(O)cc(O)c(C(C)=O)c1O	CC(=O)c1c(O)cc(O)c(C(C)=O)c1O	PIFFQYJYNWXNGE-UHFFFAOYSA-N	.
LDCM1055	Abbasov 28d	.	.	294.347	C16H22O5	94.83	294.1467238	3.261	21	3	5	6	InChI=1S/C16H22O5/c1-8(2)5-10(17)14-12(19)7-13(20)15(16(14)21)11(18)6-9(3)4/h7-9,19-21H,5-6H2,1-4H3	CC(C)CC(=O)c1c(O)cc(O)c(C(=O)CC(C)C)c1O	CC(C)CC(=O)c1c(O)cc(O)c(C(=O)CC(C)C)c1O	FKOJGSQCIDUOCC-UHFFFAOYSA-N	.
LDCM1056	Abbasov 28e	.	.	210.141	C9H6O6	111.9	210.0164379	0.2409	15	3	6	3	InChI=1S/C9H6O6/c10-1-4-7(13)5(2-11)9(15)6(3-12)8(4)14/h1-3,13-15H	O=Cc1c(O)c(C=O)c(O)c(C=O)c1O	O=Cc1c(O)c(C=O)c(O)c(C=O)c1O	KAPNIDMXEKQLMQ-UHFFFAOYSA-N	.
LDCM1057	Abbasov 28f	.	.	480.425	C25H20O10	189.66	480.1056468	2.9349	35	6	10	9	InChI=1S/C25H20O10/c26-8-14-20(30)15(9-27)23(33)18(22(14)32)13(7-6-12-4-2-1-3-5-12)19-24(34)16(10-28)21(31)17(11-29)25(19)35/h1-5,8-11,13,30-35H,6-7H2	O=Cc1c(O)c(C=O)c(O)c(C(CCc2ccccc2)c2c(O)c(C=O)c(O)c(C=O)c2O)c1O	O=Cc1c(O)c(C=O)c(O)c(C(CCc2ccccc2)c2c(O)c(C=O)c(O)c(C=O)c2O)c1O	VSPGHCLOTVQNQO-UHFFFAOYSA-N	.
LDCM1058	Abbasov 28g	.	.	252.222	C12H12O6	111.9	252.0633881	1.4112	18	3	6	3	InChI=1S/C12H12O6/c1-4(13)7-10(16)8(5(2)14)12(18)9(6(3)15)11(7)17/h16-18H,1-3H3	CC(=O)c1c(O)c(C(C)=O)c(O)c(C(C)=O)c1O	CC(=O)c1c(O)c(C(C)=O)c(O)c(C(C)=O)c1O	YOQHLDOEJYEQRA-UHFFFAOYSA-N	.
LDCM1059	Abbasov 28h	.	.	248.19	C12H8O6	104.81	248.032088	1.13762	18	2	6	2	InChI=1S/C12H8O6/c1-5-2-8(15)18-12-7(4-14)10(16)6(3-13)11(17)9(5)12/h2-4,16-17H,1H3	Cc1cc(=O)oc2c(C=O)c(O)c(C=O)c(O)c12	Cc1cc(=O)oc2c(C=O)c(O)c(C=O)c(O)c12	DRJHANRTTAZXAN-UHFFFAOYSA-N	.
LDCM1060	Abbasov 28i	.	.	310.261	C17H10O6	104.81	310.047738	2.4962	23	2	6	3	InChI=1S/C17H10O6/c18-7-11-15(21)12(8-19)17-14(16(11)22)10(6-13(20)23-17)9-4-2-1-3-5-9/h1-8,21-22H	O=Cc1c(O)c(C=O)c2oc(=O)cc(-c3ccccc3)c2c1O	O=Cc1c(O)c(C=O)c2oc(=O)cc(-c3ccccc3)c2c1O	FYWBCXURERROTK-UHFFFAOYSA-N	.
LDCM1061	Abbasov 28j	.	.	474.377	C25H14O10	170.82	474.0586966	0.4479	35	5	10	1	InChI=1S/C25H14O10/c26-9-12-17(27)15-19(35-24(32)13-7-3-1-5-10(13)20(28)22(15,24)30)16-18(12)34-25(33)14-8-4-2-6-11(14)21(29)23(16,25)31/h1-9,27,30-33H/t22-,23-,24-,25-/m1/s1	O=Cc1c(O)c2c(c3c1O[C@]1(O)c4ccccc4C(=O)[C@]31O)O[C@]1(O)c3ccccc3C(=O)[C@]21O	O=Cc1c(O)c2c(c3c1OC1(O)c4ccccc4C(=O)C31O)OC1(O)c3ccccc3C(=O)C21O	SXFRHOOXHMFQRS-ZGFBMJKBSA-N	.
LDCM1062	Abbasov 28k	.	.	520.402	C26H16O12	219.87	520.064176	2.4568	38	6	12	7	InChI=1S/C26H16O12/c27-6-12-21(32)13(7-28)24(35)19(23(12)34)18(11-1-3-16-10(5-11)2-4-17(31)38-16)20-25(36)14(8-29)22(33)15(9-30)26(20)37/h1-9,18,32-37H	O=Cc1c(O)c(C=O)c(O)c(C(c2ccc3oc(=O)ccc3c2)c2c(O)c(C=O)c(O)c(C=O)c2O)c1O	O=Cc1c(O)c(C=O)c(O)c(C(c2ccc3oc(=O)ccc3c2)c2c(O)c(C=O)c(O)c(C=O)c2O)c1O	FGPVFHDSMJOBIK-UHFFFAOYSA-N	.
LDCM1063	Abbasov 28l	.	.	418.445	C25H22O6	111.9	418.1416384	4.2469	31	3	6	9	InChI=1S/C25H22O6/c26-15-18-23(29)21(19(27)13-11-16-7-3-1-4-8-16)25(31)22(24(18)30)20(28)14-12-17-9-5-2-6-10-17/h1-10,15,29-31H,11-14H2	O=Cc1c(O)c(C(=O)CCc2ccccc2)c(O)c(C(=O)CCc2ccccc2)c1O	O=Cc1c(O)c(C(=O)CCc2ccccc2)c(O)c(C(=O)CCc2ccccc2)c1O	BVRMUBUUWCIWIU-UHFFFAOYSA-N	.
LDCM1064	Abbasov 28m	.	.	314.293	C17H14O6	111.9	314.0790382	2.2439	23	3	6	6	InChI=1S/C17H14O6/c18-8-11-15(21)12(9-19)17(23)14(16(11)22)13(20)7-6-10-4-2-1-3-5-10/h1-5,8-9,21-23H,6-7H2	O=Cc1c(O)c(C=O)c(O)c(C(=O)CCc2ccccc2)c1O	O=Cc1c(O)c(C=O)c(O)c(C(=O)CCc2ccccc2)c1O	JRRCIIPDAKDVQB-UHFFFAOYSA-N	.
LDCM1065	Abbasov 28n	.	.	328.408	C20H24O4	74.6	328.1674592	3.2342	24	2	4	2	InChI=1S/C20H24O4/c1-20-7-6-13-14(17(20)4-5-18(20)23)3-2-12-15(13)8-11(9-21)19(24)16(12)10-22/h8-10,13-14,17-18,23-24H,2-7H2,1H3/t13-,14+,17-,18-,20-/m0/s1	C[C@]12CC[C@@H]3c4cc(C=O)c(O)c(C=O)c4CC[C@H]3[C@@H]1CC[C@@H]2O	CC12CCC3c4cc(C=O)c(O)c(C=O)c4CCC3C1CCC2O	MSXPLNDQAPWDLY-BNHYCTBLSA-N	.
LDCM1066	Abbasov 28o	.	.	266.249	C13H14O6	111.9	266.0790382	1.6572	19	3	6	5	InChI=1S/C13H14O6/c1-6(2)3-9(16)10-12(18)7(4-14)11(17)8(5-15)13(10)19/h4-6,17-19H,3H2,1-2H3	CC(C)CC(=O)c1c(O)c(C=O)c(O)c(C=O)c1O	CC(C)CC(=O)c1c(O)c(C=O)c(O)c(C=O)c1O	LGXKQDDWMRYQJK-UHFFFAOYSA-N	.
LDCM1067	Abbasov 28p	.	.	252.266	C13H16O5	94.83	252.0997736	2.15312	18	3	5	4	InChI=1S/C13H16O5/c1-6(2)4-9(15)10-12(17)7(3)11(16)8(5-14)13(10)18/h5-6,16-18H,4H2,1-3H3	Cc1c(O)c(C=O)c(O)c(C(=O)CC(C)C)c1O	Cc1c(O)c(C=O)c(O)c(C(=O)CC(C)C)c1O	NGJANBBWZSMYRM-UHFFFAOYSA-N	.
LDCM1068	Abbasov 29a	.	.	204.245	C11H17NaO2	40.13	204.1126241	-1.4942	14	0	2	1	InChI=1S/C11H18O2.Na/c1-7(2)9-5-4-8(3)10(6-12)11(9)13;/h6-9,12H,4-5H2,1-3H3;/q;+1/p-1/b10-6-;/t8-,9+;/m1./s1	CC(C)[C@@H]1CC[C@@H](C)/C(=C/[O-])C1=O.[Na+]	CC1CCC(C(C)C)C(=O)C1=C[O-].[Na+]	FHMVYFRTBROWLI-CAAIXUQSSA-M	.
LDCM1069	Abbasov 29b	.	.	262.24	C15H11NaO3	49.36	262.0605885	-0.4604	19	0	3	4	InChI=1S/C15H12O3.Na/c16-11-10-15(17)12-6-8-14(9-7-12)18-13-4-2-1-3-5-13;/h1-11,16H;/q;+1/p-1/b11-10-;	O=C(/C=C\[O-])c1ccc(Oc2ccccc2)cc1.[Na+]	O=C(C=C[O-])c1ccc(Oc2ccccc2)cc1.[Na+]	SPGKUPXTQHXKBY-GMFCBQQYSA-M	.
LDCM1070	Abbasov 29c	.	.	188.202	C10H13NaO2	40.13	188.0813239	-2.1303	13	0	2	0	InChI=1S/C10H14O2.Na/c1-10(2)7-3-6(5-11)9(12)8(10)4-7;/h5,7-8,11H,3-4H2,1-2H3;/q;+1/p-1/b6-5-;	CC1(C)C2C/C(=C/[O-])C(=O)C1C2.[Na+]	CC1(C)C2CC(=C[O-])C(=O)C1C2.[Na+]	HHEKCWDUELYZRI-YSMBQZINSA-M	.
LDCM1071	Abbasov 29d	.	.	239.25	C13H14NNaO2	43.37	239.092223	-2.2904	17	0	3	2	InChI=1S/C13H15NO2.Na/c15-10-12-9-14(7-6-13(12)16)8-11-4-2-1-3-5-11;/h1-5,10,15H,6-9H2;/q;+1/p-1/b12-10-;	O=C1CCN(Cc2ccccc2)C/C1=C/[O-].[Na+]	O=C1CCN(Cc2ccccc2)CC1=C[O-].[Na+]	IQPIZARLPTVTHE-BBJSDXRSSA-M	.
LDCM1072	Abbasov 29e	.	.	212.18	C11H9NaO3	49.36	212.0449384	-2.3178	15	0	3	1	InChI=1S/C11H10O3.Na/c1-14-9-3-2-7-4-8(6-12)11(13)10(7)5-9;/h2-3,5-6,12H,4H2,1H3;/q;+1/p-1/b8-6-;	COc1ccc2c(c1)C(=O)/C(=C\[O-])C2.[Na+]	COc1ccc2c(c1)C(=O)C(=C[O-])C2.[Na+]	JMIGKKUFLUGTGM-PHZXCRFESA-M	.
LDCM1073	Abbasov 29f	.	.	268.357	C14H24N2O3	58.64	268.1786926	2.0782	19	1	4	2	InChI=1S/C14H24N2O3/c1-14(2,3)19-13(18)15-11-6-7-12(17)10(8-11)9-16(4)5/h9,11H,6-8H2,1-5H3,(H,15,18)/b10-9-/t11-/m0/s1	CN(C)/C=C1/C[C@@H](NC(=O)OC(C)(C)C)CCC1=O	CN(C)C=C1CC(NC(=O)OC(C)(C)C)CCC1=O	JYWATPVKXAPTLI-JUDLJHIGSA-N	.
LDCM1074	Abbasov 29g	.	.	161.16	C9H7NO2	46.17	161.0476785	0.9212	12	1	2	1	InChI=1S/C9H7NO2/c11-5-7-6-3-1-2-4-8(6)10-9(7)12/h1-5,7H,(H,10,12)/t7-/m0/s1	O=C[C@@H]1C(=O)Nc2ccccc21	O=CC1C(=O)Nc2ccccc21	NEWVVIDKMOJCCS-ZETCQYMHSA-N	.
LDCM1075	Abbasov 30a	.	.	256.066	C14H13BO4	66.76	256.0906893	0.7579	19	2	4	5	InChI=1S/C14H13BO4/c16-9-12-8-13(6-7-14(12)15(17)18)19-10-11-4-2-1-3-5-11/h1-9,17-18H,10H2	O=Cc1cc(OCc2ccccc2)ccc1B(O)O	O=Cc1cc(OCc2ccccc2)ccc1B(O)O	XRARNEIDTRHXKN-UHFFFAOYSA-N	.
LDCM1076	Abbasov 30b	.	.	300.085	C14H16BF3O3	35.53	300.1144594	2.8171	21	0	3	2	InChI=1S/C14H16BF3O3/c1-12(2)13(3,4)21-15(20-12)11-7-10(14(16,17)18)6-5-9(11)8-19/h5-8H,1-4H3	CC1(C)OB(c2cc(C(F)(F)F)ccc2C=O)OC1(C)C	CC1(C)OB(c2cc(C(F)(F)F)ccc2C=O)OC1(C)C	SXGHUSPRZSUDTF-UHFFFAOYSA-N	.
LDCM1077	Abbasov 30c	.	.	261.042	C12H12BNO5	72.91	261.0808529	-0.7739	19	0	6	2	InChI=1S/C12H12BNO5/c1-14-6-11(16)18-13(19-12(17)7-14)10-5-3-2-4-9(10)8-15/h2-5,8H,6-7H2,1H3	CN1CC(=O)OB(c2ccccc2C=O)OC(=O)C1	CN1CC(=O)OB(c2ccccc2C=O)OC(=O)C1	QWSWQNRMPQJHFH-UHFFFAOYSA-N	.
LDCM1078	Abbasov 31a	.	.	211.198	C8H5NO4S	71.52	210.9939286	-0.0125	14	0	4	1	InChI=1S/C8H5NO4S/c10-5-9-8(11)6-3-1-2-4-7(6)14(9,12)13/h1-5H	O=CN1C(=O)c2ccccc2S1(=O)=O	O=CN1C(=O)c2ccccc2S1(=O)=O	LMPIFZSJKLLOLM-UHFFFAOYSA-N	.
LDCM1079	Abbasov 31b	.	.	147.137	C7H5N3O	47.78	147.0432618	0.4696	11	0	4	1	InChI=1S/C7H5N3O/c11-5-10-7-4-2-1-3-6(7)8-9-10/h1-5H	O=Cn1nnc2ccccc21	O=Cn1nnc2ccccc21	DVEIDGKSJOJJJU-UHFFFAOYSA-N	.
LDCM1080	Abbasov 32a	.	.	249.354	C15H23NO2	40.54	249.172879	3.6113	18	1	3	8	InChI=1S/C15H23NO2/c1-3-5-9-16(10-6-4-2)14-8-7-13(12-17)15(18)11-14/h7-8,11-12,18H,3-6,9-10H2,1-2H3	CCCCN(CCCC)c1ccc(C=O)c(O)c1	CCCCN(CCCC)c1ccc(C=O)c(O)c1	BWHGDPKOFVNGFQ-UHFFFAOYSA-N	.
LDCM1081	Abbasov 32b	.	.	267.206	C13H8F3NO2	39.19	267.0507132	3.4597	19	0	3	3	InChI=1S/C13H8F3NO2/c14-13(15,16)19-12-5-2-9(3-6-12)10-1-4-11(8-18)17-7-10/h1-8H	O=Cc1ccc(-c2ccc(OC(F)(F)F)cc2)cn1	O=Cc1ccc(-c2ccc(OC(F)(F)F)cc2)cn1	ZMFVNAWURRGFLT-UHFFFAOYSA-N	.
LDCM1082	Abbasov 32c	.	.	195.218	C10H13NO3	70.16	195.0895433	1.46124	14	2	2	4	InChI=1S/C10H13NO3/c1-6-8(3-4-10(13)14)7(2)11-9(6)5-12/h5,11H,3-4H2,1-2H3,(H,13,14)	Cc1[nH]c(C=O)c(C)c1CCC(=O)O	Cc1[nH]c(C=O)c(C)c1CCC(=O)O	RUILENPFHDHTRC-UHFFFAOYSA-N	.
LDCM1083	Abbasov 32d	.	.	217.268	C13H15NO2	40.54	217.1102787	1.9035	16	1	3	1	InChI=1S/C13H15NO2/c15-8-10-7-9-3-1-5-14-6-2-4-11(12(9)14)13(10)16/h7-8,16H,1-6H2	O=Cc1cc2c3c(c1O)CCCN3CCC2	O=Cc1cc2c3c(c1O)CCCN3CCC2	NRZXBDYODHLZBF-UHFFFAOYSA-N	.
LDCM1084	Abbasov 32e	.	.	228.247	C14H12O3	46.53	228.0786442	2.7837	17	1	3	4	InChI=1S/C14H12O3/c15-9-12-6-7-13(8-14(12)16)17-10-11-4-2-1-3-5-11/h1-9,16H,10H2	O=Cc1ccc(OCc2ccccc2)cc1O	O=Cc1ccc(OCc2ccccc2)cc1O	AMLKEDBYDOCGEG-UHFFFAOYSA-N	.
LDCM1085	Abbasov 32f	.	.	157.172	C10H7NO	29.96	157.0527638	2.0473	12	0	2	1	InChI=1S/C10H7NO/c12-7-9-6-5-8-3-1-2-4-10(8)11-9/h1-7H	O=Cc1ccc2ccccc2n1	O=Cc1ccc2ccccc2n1	WPYJKGWLDJECQD-UHFFFAOYSA-N	.
LDCM1086	Abbasov 32g	.	.	173.171	C10H7NO2	50.19	173.0476785	1.7529	13	1	3	1	InChI=1S/C10H7NO2/c12-6-8-5-4-7-2-1-3-9(13)10(7)11-8/h1-6,13H	O=Cc1ccc2cccc(O)c2n1	O=Cc1ccc2cccc(O)c2n1	SLBPIHCMXPQAIQ-UHFFFAOYSA-N	.
LDCM1087	Abbasov 32h	.	.	317.388	C21H19NO2	39.19	317.1415788	4.4951	24	0	3	7	InChI=1S/C21H19NO2/c23-16-19-11-12-20(15-22-19)24-14-13-21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-12,15-16,21H,13-14H2	O=Cc1ccc(OCCC(c2ccccc2)c2ccccc2)cn1	O=Cc1ccc(OCCC(c2ccccc2)c2ccccc2)cn1	HQAMEZKZMWSUMH-UHFFFAOYSA-N	.
LDCM1088	Abbasov 32i	.	.	206.241	C12H14O3	54.37	206.0942943	2.44902	15	1	3	3	InChI=1S/C12H14O3/c1-7(2)10-4-9(5-13)8(3)11(6-14)12(10)15/h4-7,15H,1-3H3	Cc1c(C=O)cc(C(C)C)c(O)c1C=O	Cc1c(C=O)cc(C(C)C)c(O)c1C=O	GOOPQQJPPNQPNJ-UHFFFAOYSA-N	.
LDCM1089	Abbasov 33a	.	.	273.288	C15H15NO4	55.84	273.100108	1.3841	20	0	5	3	InChI=1S/C15H15NO4/c1-19-10-5-6-11-9(8-10)4-3-7-16(11)12-13(17)14(18)15(12)20-2/h5-6,8H,3-4,7H2,1-2H3	COc1ccc2c(c1)CCCN2c1c(OC)c(=O)c1=O	COc1ccc2c(c1)CCCN2c1c(OC)c(=O)c1=O	UFAACMFDZKTZKP-UHFFFAOYSA-N	.
LDCM1090	Abbasov 33b	.	.	339.191	C13H7F6NO3	55.4	339.0330124	3.0724	23	1	4	3	InChI=1S/C13H7F6NO3/c1-23-11-8(9(21)10(11)22)20-7-3-5(12(14,15)16)2-6(4-7)13(17,18)19/h2-4,20H,1H3	COc1c(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(=O)c1=O	COc1c(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(=O)c1=O	JNTMYYXPKRCJGA-UHFFFAOYSA-N	.
LDCM1091	Abbasov 33c	.	.	421.463	C22H26F3N3O2	61.44	421.1977117	4.254	30	2	5	5	InChI=1S/C22H26F3N3O2/c23-22(24,25)14-8-10-15(11-9-14)26-18-19(21(30)20(18)29)27-16-6-2-3-7-17(16)28-12-4-1-5-13-28/h8-11,16-17,26-27H,1-7,12-13H2/t16-,17-/m1/s1	O=c1c(Nc2ccc(C(F)(F)F)cc2)c(N[C@@H]2CCCC[C@H]2N2CCCCC2)c1=O	O=c1c(Nc2ccc(C(F)(F)F)cc2)c(NC2CCCCC2N2CCCCC2)c1=O	JRSCPJJNZMRAQS-IAGOWNOFSA-N	.
LDCM1092	Abbasov 33d	.	.	293.322	C18H15NO3	55.4	293.1051933	2.6256	22	1	4	5	InChI=1S/C18H15NO3/c1-22-18-15(16(20)17(18)21)19-14-10-6-5-9-13(14)11-12-7-3-2-4-8-12/h2-10,19H,11H2,1H3	COc1c(Nc2ccccc2Cc2ccccc2)c(=O)c1=O	COc1c(Nc2ccccc2Cc2ccccc2)c(=O)c1=O	ZWDRPUXMQLSXPG-UHFFFAOYSA-N	.
LDCM1093	Abbasov 33e	.	.	339.225	C15H8F3NO5	85.61	339.035457	2.16	24	1	6	3	InChI=1S/C15H8F3NO5/c1-23-14-11(12(21)13(14)22)19-6-2-3-7-8(15(16,17)18)5-10(20)24-9(7)4-6/h2-5,19H,1H3	COc1c(Nc2ccc3c(C(F)(F)F)cc(=O)oc3c2)c(=O)c1=O	COc1c(Nc2ccc3c(C(F)(F)F)cc(=O)oc3c2)c(=O)c1=O	OTWQPCLQJQZBBI-UHFFFAOYSA-N	.
LDCM1094	Abbasov 33f	.	.	428.332	C20H14F6N2O2	58.2	428.095947	5.2369	30	2	4	5	InChI=1S/C20H14F6N2O2/c1-10(11-5-3-2-4-6-11)27-15-16(18(30)17(15)29)28-14-8-12(19(21,22)23)7-13(9-14)20(24,25)26/h2-10,27-28H,1H3/t10-/m1/s1	C[C@@H](Nc1c(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(=O)c1=O)c1ccccc1	CC(Nc1c(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(=O)c1=O)c1ccccc1	VDVZACJUPVFVDH-SNVBAGLBSA-N	.
LDCM1095	Abbasov 33g	.	.	321.376	C20H19NO3	55.4	321.1364935	3.3489	24	1	4	6	InChI=1S/C20H19NO3/c1-13(2)24-20-17(18(22)19(20)23)21-12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,13,21H,12H2,1-2H3	CC(C)Oc1c(NCc2ccc(-c3ccccc3)cc2)c(=O)c1=O	CC(C)Oc1c(NCc2ccc(-c3ccccc3)cc2)c(=O)c1=O	WJJSPKUBZFRUKV-UHFFFAOYSA-N	.
LDCM1096	Abbasov 33h	.	.	395.543	C25H33NO3	55.4	395.2460439	4.537	29	1	4	5	InChI=1S/C25H33NO3/c1-15(2)16-7-9-18-17(13-16)8-10-19-24(3,11-6-12-25(18,19)4)14-26-20-21(27)22(28)23(20)29-5/h7,9,13,15,19,26H,6,8,10-12,14H2,1-5H3/t19-,24-,25+/m1/s1	COc1c(NC[C@@]2(C)CCC[C@@]3(C)c4ccc(C(C)C)cc4CC[C@H]23)c(=O)c1=O	COc1c(NCC2(C)CCCC3(C)c4ccc(C(C)C)cc4CCC23)c(=O)c1=O	DPYHXBWISULAGW-WVQWTBLQSA-N	.
LDCM1097	Abbasov 33i	.	.	302.232	C16H8F2O4	52.6	302.0390652	3.1454	22	0	4	4	InChI=1S/C16H8F2O4/c17-9-5-1-3-7-11(9)21-15-13(19)14(20)16(15)22-12-8-4-2-6-10(12)18/h1-8H	O=c1c(Oc2ccccc2F)c(Oc2ccccc2F)c1=O	O=c1c(Oc2ccccc2F)c(Oc2ccccc2F)c1=O	IZBSBAXRFRTUHE-UHFFFAOYSA-N	.
LDCM1098	Abbasov 33j	.	.	203.222	C10H5NO2S	46.17	203.0040994	1.4908	14	1	4	0	InChI=1S/C10H5NO2S/c12-8-7-10(9(8)13)14-6-4-2-1-3-5(6)11-7/h1-4,11H	O=c1c2c(c1=O)Sc1ccccc1N2	O=c1c2c(c1=O)Sc1ccccc1N2	YGHYFDJCDAGLCO-UHFFFAOYSA-N	.
LDCM1099	Abbasov 33k	.	.	291.306	C18H13NO3	46.61	291.0895433	2.5951	22	0	4	2	InChI=1S/C18H13NO3/c20-16-15-18(17(16)21)22-14-9-5-4-8-13(14)11-19(15)10-12-6-2-1-3-7-12/h1-9H,10-11H2	O=c1c2c(c1=O)N(Cc1ccccc1)Cc1ccccc1O2	O=c1c2c(c1=O)N(Cc1ccccc1)Cc1ccccc1O2	LHJYUPKFUABVTM-UHFFFAOYSA-N	.
LDCM1100	Abbasov 33l	.	.	538.284	C21H10F12O3	46.53	538.0438328	6.5898	36	1	3	3	InChI=1S/C21H10F12O3/c1-36-16-14(8-2-10(18(22,23)24)6-11(3-8)19(25,26)27)15(34)17(16,35)9-4-12(20(28,29)30)7-13(5-9)21(31,32)33/h2-7,35H,1H3/t17-/m0/s1	COC1=C(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)[C@@]1(O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	COC1=C(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)C1(O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	SXXFEJPKNULVIM-KRWDZBQOSA-N	.
LDCM1101	Abbasov 34a	.	.	265.378	C14H19NO2S	37.38	265.1136498	3.299	18	0	2	4	InChI=1S/C14H19NO2S/c1-2-18(16,17)15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h2-3,5-6,9-10,14H,1,4,7-8,11-12H2	C=CS(=O)(=O)N(c1ccccc1)C1CCCCC1	C=CS(=O)(=O)N(c1ccccc1)C1CCCCC1	NSAPJCOVQVFLKW-UHFFFAOYSA-N	.
LDCM1102	Abbasov 34b	.	.	265.378	C14H19NO2S	37.38	265.1136498	2.4144	18	0	2	4	InChI=1S/C14H19NO2S/c1-2-18(16,17)15-10-8-14(9-11-15)12-13-6-4-3-5-7-13/h2-7,14H,1,8-12H2	C=CS(=O)(=O)N1CCC(Cc2ccccc2)CC1	C=CS(=O)(=O)N1CCC(Cc2ccccc2)CC1	KWHIOYHLOBZFJH-UHFFFAOYSA-N	.
LDCM1103	Abbasov 34c	.	.	289.356	C15H15NO3S	55.4	289.0772643	3.1508	20	1	3	6	InChI=1S/C15H15NO3S/c1-2-20(17,18)16-14-8-10-15(11-9-14)19-12-13-6-4-3-5-7-13/h2-11,16H,1,12H2	C=CS(=O)(=O)Nc1ccc(OCc2ccccc2)cc1	C=CS(=O)(=O)Nc1ccc(OCc2ccccc2)cc1	JNSJAAOEXIABTF-UHFFFAOYSA-N	.