Compound List

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Compound	Smiles	Mol
C499825	O=C(O)CCn1cc(Br)c(C(F)(F)F)n1
C499829	CC1CCN(Cc2c[nH]c3ccccc23)CC1
C499830	O=Cc1nnc2n1CCOC2
C499833	Cc1ccc(C(=O)O)c2cn[nH]c12
C499836	COc1ncc(-c2ccc(C(=O)O)s2)cc1C
C499837	CNCCn1nc(C(F)(F)F)cc1C
C499844	FC(F)(CN(Cc1ccccc1)Cc1ccccc1)c1[nH]nc2c1CCCC2
C499845	Cc1nn(-c2ccccc2)c(C)c1C=C(C#N)C(=O)O
C499846	CCOc1ccc(-c2nc(-c3ccc(S(N)(=O)=O)cc3)cs2)cc1OCC
C499849	FC(F)(F)c1ccc(C2(F)CCNCC2)cc1
C499851	COc1ccc(C(=O)C(C#N)c2cccnc2)cc1OC
C499853	O=C(CSc1ccc2ccccc2c1)Nc1ccc(Cl)cc1
C499854	Cc1cc(C)c(C)c(CCN)c1C
C499855	NCC1CCCN(C2CC2)C1
C499856	C#CCNC(=O)C1CC(N)C1
C499862	Cc1nc(-c2ccc(Cl)cc2)[nH]c(=O)c1CCO
C499863	BrCc1nncs1
C499865	O=Cc1nc2n(c1C(=O)O)CCOC2
C499866	COCc1cc(C(=O)OC)n(C)c1
C499867	CC(C)(C)OC(=O)N1CCC(C(=O)NC(C#N)=C(Cl)Cl)CC1
C499868	Nc1ncc(-c2ncccn2)cn1
C499869	O=C(C1CCNCC1)N1CCC(Cc2ccccc2)CC1
C499871	COC(=O)C(NC(=O)OC(C)(C)C)c1ccc(O)c(Br)c1
C499875	CCNC(=O)NC(=O)C(Cl)c1ccccc1
C499876	O=C(c1ccccc1)N1CCC2(COCCO2)C1
C499877	F[B-](F)(F)C1CCC2(CC2)C1
C499880	C=CCOS(=O)(=O)c1ccc(C)cc1
C499882	O=Nc1ccc(O)[nH]c1=O
C499883	CC1(C(=O)O)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6OC6OC(C(=O)O)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1
C499884	COc1cc(C=O)c2ccccc2n1
C499885	CCCCc1ccc(-c2c[nH]cn2)cc1
C499890	O=C(OCc1ccccc1)N1CCCOC1
C499892	O=C1CS(=O)(=O)c2ncccc21
C499893	CC(=O)Nc1ccc(Br)cn1
C499894	OCc1c(OCC(F)(F)F)nc2sccn12
C499895	O=C(O)c1ccc(Br)c2[nH]ccc12
C499896	[N-]=[N+]=Nc1ccc(C=O)cc1Br
C499899	Cc1ccc(C(=O)O)c2nn(C)cc12
C499903	Clc1cc(-c2ccccc2)c(Cl)nn1
C499904	COC(=O)c1ccc(-c2cccc(Cl)c2)[nH]1
C499907	Cc1ccc2[nH]c3c(S)nncc3c2c1
C499908	CC(C)(C)OC(=O)NCC1(C(C)(C)O)CC1
C499909	COC(=O)c1cccc2nn(C)c(C)c12
C499910	O=c1[nH]cnn2cncc12
C499913	O=C(CS)N1NC(c2ccccc2)=CC1c1ccccc1
C499914	CCOC(=O)C1=C(C)NCCC1=O
C499917	O=C(O)C1Nc2c(Cl)ccc(C(F)(F)F)c2C2C=CCC12
C499918	C#CC12COC(CBr)(C1)C2
C499921	NC(C(=O)O)C12CCC(C1)C2
C499924	O=C(O)C1CCOc2ccccc2O1
C499930	Nc1ccc2cc(F)ccc2n1
C499931	CC(C)N(C)S(=O)(=O)N1CCNC(=O)C1
C499932	O=[N+]([O-])c1ccc(Cl)c(S(=O)[O-])c1
C499934	O=C(O)CC1OCc2cc(C(F)(F)F)ccc21
C499935	CCCC[Sn](CCCC)(CCCC)c1ccncc1
C499936	COC(=O)c1ccc2ccc(O)nc2c1
C499937	Cc1ccc(N)cc1OCC(C)C
C499938	COc1cc(OC)nc(C(=O)CN)c1
C499939	Nc1ccc(-c2cccc(C(=O)O)c2)cc1
C499942	Cc1cccc(Oc2ccc(C(=O)O)cc2)c1
C499943	Cc1nc(CCCc2ccccc2)oc1N1CC2CC1(C#N)C2
C499944	COC(=O)c1cc(Br)c(F)o1
C499947	C#CCC1CN(C(=O)OC(C)(C)C)CCC1=O
C499949	Cc1nc[nH]c1CCCN
C499954	CC(C)(C)OC(=O)NCc1ncc(F)cn1
C499955	CCOC(=O)c1cccn1C(F)(F)Br
C499956	O=C(O)C1NCCOC1C(F)(F)F
C499957	O=S(=O)(c1ccc(Br)cc1)C12CC(C1)C2
C499959	C#CCCn1cc(C=O)cn1
C499961	CC1(C)OB(c2c[nH]c3nncc-3c2)OC1(C)C
C499962	CC1=CC(=O)c2ncccc2C1=O
C499964	COc1ccc2nc(C3C(=O)c4ccccc4C3=O)cc(Cl)c2c1
C499966	NC(=O)N1CCCCCC1
C499967	NCc1ccc(Oc2ccccc2)cn1
C499968	CC(C)(C)C(C(=O)Nc1cnc2sccc2c1)c1ccccc1
C499969	NC(=O)C1CCCN1C(=O)C1CCNc2ccccc21
C499971	O=C(NCC1(Cc2ccccc2)C=CCCC1)C(=O)Nc1c(F)ccc(Br)c1F
C499972	Cc1cc(C#N)cc(I)c1O
C499973	CCCC[Sn](CCCC)(CCCC)COCCCCN
C499974	O=C(O)c1cn(-c2ccc(Cl)cc2Cl)cn1
C499975	Cc1cccc(C)c1[N+](=O)[O-]
C499976	CC(C)CC(=O)CO
C499977	CCCNS(=O)(=O)C=Cc1ccccc1
C499980	O=C(O)Cc1ccc(CNC(=O)Nc2cc(Cl)c(-c3ccccc3OC(F)(F)F)c(Cl)c2)cc1
C499982	COC(=O)CSC(C)CC(=O)OC
C499986	CC(C)(C)OC(=O)N1CC(N2CC(NC(=O)C(F)(F)F)C2)C1
C499988	Nc1n[nH]c(Br)c1C(=O)O
C499994	O=C(c1ccccc1)N1CCCCC2(CC2)C1
C499995	CC(=O)C12CC(C(C)=O)(C1)C2
C499996	O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1O
C499998	N#CC(C#N)=C1COCCN1
C499999	CCCCCCCC[N+]1=C(C)c2cccc3cccc1c23
C500000	CCS(=O)(=O)c1ccc(Cl)c(N)c1
C500001	COC(=O)c1cnc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1
C500003	O=Cc1cc2ccccc2nc1C(=O)O
C500005	CC(C)(C)C(=O)C(C#N)c1ccc(Cl)cc1
C500006	Oc1cncc(C#Cc2ccccn2)c1
C500008	CCCC(N)C(=O)NC(C)c1cccnc1
C500011	O=[N+]([O-])c1cc(C(F)F)cnc1Cl
C500012	NCC1(NC(=O)c2nn3cccnc3c2Cl)CCCCC1