Compound List

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Compound	Smiles	Mol
C499029	CC1(C)CCc2ccncc2N1
C499030	O=C(NCCc1cccnc1)c1ccc2[nH]c(-c3ccc(-c4cccc(CO)c4)nc3)nc2c1
C499032	CCOC=C1C(=O)N(c2ccccc2Cl)C(=O)c2ccccc21
C499033	OCC1C2CCC(C2)C1C(F)F
C499036	NC1CC2C(C1)C2C(=O)O
C499037	CC12CC(C(=O)Nc3ccc4ccccc4c3)(C1)C2
C499038	Cc1[nH]c(C(=O)O)cc1S(N)(=O)=O
C499039	COC(=O)c1c(C)sc2c(Br)cccc12
C499043	CC(=O)OC1(C(=O)O)CCC1
C499048	O=[In]O[In]=O
C499050	OCCOCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1
C499053	O=C(O)C1CSC(c2ccc(O)cc2)N1C(=O)OCC1c2ccccc2-c2ccccc21
C499055	O=C(O)C1CC(Cl)(c2ccc(OC(F)(F)F)cc2)C1
C499056	CC(C)Oc1cnc(C(=O)NCC2(N)CCCCCC2)cn1
C499057	c1csnn1
C499059	O=S1c2ccccc2Nc2ccccc21
C499061	N#CCC(C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1
C499067	O=C1c2ccccc2C(=O)N1Sc1ccccc1
C499068	COc1nccc(CNC(=O)N(c2ccc(Cl)c(Cl)c2)c2cc(Cl)ncn2)n1
C499070	Cc1nc(Cc2cc(F)cc(Cl)c2)sc1NC(=O)c1ccnn1C
C499072	Cc1[nH]c(-c2ccc(-c3ccc(C(F)(F)F)cc3)o2)nc1-c1ccc(CCO)cc1
C499075	CC(=O)N1CCN(C(=O)Cl)C1=O
C499076	CC(C)CNc1ccccc1Cl
C499079	O=C(NCc1ccc(-c2scnc2C(=O)O)cc1)OCC1c2ccccc2-c2ccccc21
C499080	CC1(C)Cc2c(cccc2C(F)(F)F)C(c2cnc3c(F)cccc3c2)=N1
C499081	COc1ccc2c(c1)NC(C)C(=O)N2
C499082	Cc1ccc(CC(=O)NN)cc1
C499086	Cc1cccc(Cn2cnc(NC(=O)c3cc(-c4ccncc4)nc4c(Cl)cccc34)n2)c1
C499089	COc1cc(C=O)ccc1OCC(F)(F)F
C499093	CC(C)(C)OC(=O)Nc1ccc(C(=O)O)c2c1OCCO2
C499094	NNc1ccc(C(=O)O)cc1F
C499095	O=C(NNC(=O)c1ccc(F)cc1Cl)c1cc(Cl)ccc1O
C499096	CC(C)(C)C1CCOCC1C(=O)O
C499100	COC(=O)c1ccnc(-c2cc(C(=O)OC)ccn2)c1
C499101	NCc1cncn1-c1ccccc1
C499102	OCc1ccncc1I
C499106	CC(CN)c1ncccc1Br
C499108	OC1(c2cn[nH]c2)CNC1
C499111	C[Si](C)(C)c1ccc(F)c(C(=O)O)c1Cl
C499113	CC(C)n1ccc(NC(=O)OCC(F)(F)F)n1
C499114	CC(C)(O)CNc1nc(Nc2ccnc(C(C)(C)C)c2)nc(-c2cccc(C(F)(F)F)n2)n1
C499116	O=C1Cc2cccnc2CN1
C499118	O=C1N(c2ccccc2)c2ccccc2C12CCNCC2
C499119	NC1CCOc2nc(Br)ccc21
C499120	O=C(O)c1ccccc1C1(F)CC1
C499121	Cc1ncsc1-c1ccc(CNC(=O)C2CC(O)CN2C(=O)C(NC(=O)C2(C#N)CC2)C(C)(C)C)c(OCCOCCOCCOCCCCCCCl)c1
C499124	CCCc1nnc(S)o1
C499127	Cc1cc(P(C)(C)=O)oc1C(=O)O
C499128	O=C(CCl)N(Cc1ccc(F)cc1)c1nc(-c2ccccc2)cs1
C499130	O=C(O)c1cc(Br)c2n1CCCC2
C499136	NNc1nc(-c2ccccc2Cl)cs1
C499137	CC(C)(C)OC(=O)N1CC2(CC(=O)OC2CI)C1
C499138	FC(F)(F)C1NCCc2ccsc21
C499140	CC1(C)OB(c2cccc(N)c2[N+](=O)[O-])OC1(C)C
C499143	COC(=O)c1cc2sc(C)cc2n1Cc1ccc(F)cc1Cl
C499144	CCOc1cc(F)c(C=O)cc1Br
C499145	C[Si](C)(C)CCOCn1nc(Br)c2ccncc21
C499152	O=C(O)Cn1cc(I)c(C(F)(F)F)n1
C499153	CC(C)(C)OC(=O)NC(C(=O)O)c1ccc(I)c(F)c1
C499155	CC(F)(F)c1ccc(CO)cc1
C499156	ClCSC1CC1
C499157	CCOC(=O)c1n[nH]c(-c2ccc(Cl)cc2)n1
C499159	N=C(N)c1ccc(OCCn2cc(C(F)(F)F)cn2)cc1
C499160	Cc1nc(S)c(C#N)c(C)c1Cl
C499162	CC(C)(C)C(=O)Nc1ccc(B(O)O)cn1
C499163	CCCCN(CCCC)C(=O)CN1CC(c2cc(OC)c3c(c2)OCO3)C(C(=O)O)C1CC(C)(C)CCC
C499165	O=C(O)COC1(c2ccc(Br)cn2)CCC2(CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)CC1
C499167	CCC(=O)NCCCCc1cc(Cl)sc1Cl
C499170	Cc1[nH]c2ccccc2c1CCC=O
C499171	COC(=O)C(=O)CC(=O)c1sc(-c2ccccc2)nc1C
C499173	[O-][n+]1ccccc1SSc1cccc[n+]1[O-]
C499174	Brc1ccc2cnn(Cc3ccccc3)c2c1
C499176	Cn1nc(C#N)cc1CO
C499177	CCNS(=O)(=O)c1c[nH]c(C(=O)O)c1
C499178	Clc1ccc2[nH]c(-c3ccncc3)cc2c1
C499181	COCCC1(CO)CC2OC2C1
C499182	OC1CNC12CC2
C499185	COc1cccc(C2(Cl)CC(C(=O)O)C2)c1
C499188	CC(C)(C)OC(=O)N1CC2(C1)CC1(CC(C=O)C1)C2
C499190	O=C(NC1CC=CC(O)C1)OCc1ccccc1
C499191	CP(C)(=O)C1=CCC2(CCCCC2)CC1
C499192	O=C(O)C(O)c1cccc2c1OC(F)(F)O2
C499198	CC1(O)CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1
C499201	CC(C)(C)OC(=O)Nc1ccc2c(F)n[nH]c2c1
C499202	CC(=O)SCCCc1ccccc1
C499205	O=C(O)c1ccn2ncc(Cl)c2n1
C499209	NC(=O)c1n[nH]c2ccc(Br)cc12
C499211	CC(N)c1ccc(CNC(=O)Cc2ccc3c(c2)CCCC3)cc1
C499212	CCN(C)C=Nc1cc(C)c(SCCC(C)C)nc1C
C499214	O=Cc1cnc2c(Cl)cccn12
C499219	Cc1ccc(S)c(Cl)c1
C499220	NCCc1cc(Cl)cs1
C499221	NC(=O)c1c[nH]nc1[N+](=O)[O-]
C499223	O=S(=O)(Cl)N1CCC(c2cccc(Cl)n2)CC1
C499224	CC(C)(C)OC(=O)NC(CN=[N+]=[N-])C(N)=O
C499225	CCOc1cc2c(cc1CNC(=O)CCl)OC(C)C2
C499226	CC(NC(=O)OC(C)(C)C)C(N)c1ccc(Br)cc1
C499227	COCC12CC(CC1C(=O)O)C2
C499230	Cc1cc(Cl)nc2c1COCC2
C499231	Cn1c(=O)n(C)c2cc(NS(=O)(=O)c3cccc(N)c3)ccc21