Compound List

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Compound	Smiles	Mol
C500805	O=C(CCl)NC1CCCS(=O)(=O)c2ccccc21
C500806	O=C(O)c1cn(C2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)nn1
C500807	CC(NC(=O)c1cccnc1O)C1CC1
C500808	COc1cccc(Oc2ncccc2C=O)c1
C500809	COc1cc(C)cc(F)c1C#N
C500810	CC(C)(C)OC(=O)N1CC2(CO)CNCC12
C500811	O=NN1CCN(N=O)C2(CC2)C1
C500813	CN(C)C(=O)c1cc(C2CCCC2)no1
C500814	CC(C)(C)OC(=O)N1CCc2c(C(=O)O)ccnc2C1
C500816	Nc1cccc(OS(=O)(=O)F)c1F
C500822	C=CCOC(=O)C(CS)NC(=O)OC(C)(C)C
C500825	CC(C)(C)OC(=O)NC(Cc1ccc(SCc2ccccc2)cc1)C(=O)O
C500829	CCC(=O)N1CCCC1C1CCCN1
C500830	CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1ccc(C(=O)O)cn1
C500831	C#CC1CN(C(=O)OC(C)(C)C)C1(C)C
C500834	CCOC(=O)Cc1ccon1
C500837	CCCC(CCC)NCC1CC2CCC(C1)N2C
C500838	COC(=O)c1cc(C=O)cc(NC(=O)OC(C)(C)C)c1
C500841	CC(C)(C)c1ccc([N+](=O)[O-])cc1C(=O)O
C500843	CC(Oc1cccc(F)c1F)C(=O)O
C500845	COC(=O)C1(N)CCC1(C)C
C500852	[N-]=[N+]=Nc1cc(F)c(Br)cc1F
C500853	[N-]=[N+]=NC1CCc2c1cccc2[N+](=O)[O-]
C500855	COC(=O)c1ccc(Oc2ccc(N)cn2)cc1
C500856	COc1cc(-c2nc3ccc(C(=O)N(C)C)cc3n2C2(C)COC2)c(F)c(O)c1O
C500860	CC(C)c1nc(CCN)n[nH]1
C500864	Cc1sc2nc(-c3ccccn3)nc(N3CCOCC3)c2c1-c1ccccc1
C500866	CNc1nc(Nc2ccc(C(=O)N3CCOCC3)cc2OC)ncc1Cl
C500868	CC1(CN)CCC1O
C500869	O=C(O)c1cccc2oc(-c3cccc(Cl)c3)nc12
C500870	COc1cc(OCCN2CCOCC2)cnc1-c1nc2cc(OC(F)(F)F)ccc2[nH]1
C500871	O=Cc1nnn2c1CCC2
C500872	O=c1[nH]c2cc(S(=O)(=O)Cl)ccc2s1
C500873	CSc1c(CN)ccc2ccccc12
C500877	CN(C)c1ccc(Br)c(S(=O)(=O)Cl)c1
C500878	COc1cc(OC)c2cc(C(=O)O)oc2c1
C500879	CNC(C)C(C)OC
C500880	c1cc(-c2c[nH]nn2)ccn1
C500882	Cc1nc(C(=O)[O-])c2ncccn12
C500884	COc1ccc2[nH]c3c(c2c1)CCN(C(=O)OCC1c2ccccc2-c2ccccc21)C3C(=O)O
C500889	CC1(C)NC(=O)Cc2cc(F)ccc21
C500890	Cc1cn(CC(=O)O)cn1
C500892	NCCCn1cc(COCCC(=O)O)nn1
C500893	OCCCNCc1ccc(Cl)cc1
C500894	CCSCC(N)Cc1ccc(F)cc1F
C500896	NCC1CCOCCO1
C500898	O=C(O)C(=O)CCc1ccc(Br)cc1
C500900	O=C1CC2(CCN(Cc3ccccc3)CC2)C1
C500902	CNC(=O)CCC1CCCCC1
C500905	COc1cc([N+](=O)[O-])ccc1C(C)=O
C500906	CC(C)(C)OC(=O)N1CCc2c(ccc(O)c2Cl)C1
C500908	CC(F)(F)OC1CCNCC1
C500909	COC(=O)c1cccc2[nH]c(=O)oc12
C500910	COCC1CC(NC(N)=O)C1
C500912	COc1cc(Br)c2ccnn2c1
C500913	COc1cc(C)c(Cl)cc1-c1csc(N)n1
C500917	COC(=O)c1ccc(Br)c2c1OCCC2
C500920	COc1ccc(-n2nnc3c(=O)n(Cc4cc(C)ccc4C)cnc32)cc1
C500922	COC(=O)c1cc2cc(Br)cc(Br)c2nc1C
C500927	COCOc1cnccc1F
C500928	CN(C)C(=O)NC1CCN(C(=O)c2cccc(F)c2)CC1
C500929	CN(C)C(=O)C=CCN
C500930	COc1cc(C=CC(=O)O)ccc1SC(=O)N(C)C
C500931	Brc1ccccc1OC1CCNCC1
C500932	CCOC(CC1CCNCC1)OCC
C500933	CC(C)(C)OC(=O)N1CCCC2CN(Cc3ccccc3)CC21
C500934	COC(=O)c1cc(Br)c2c(C=O)c[nH]c2c1
C500935	O=C(O)CNCc1ccco1
C500937	N#CC1(C(=O)O)CCOC1
C500938	COC(=O)c1cc2cc(B3OC(C)(C)C(C)(C)O3)ccc2s1
C500939	CC(C)(C)OC(=O)Cc1ccc(S)cc1
C500940	Cc1nn(C(F)(F)Br)c(C)c1I
C500941	C#Cc1ccc(C(=O)Nc2nc(CN3CCC(C)CC3)cs2)nc1
C500943	CCOc1ccc(CC(=O)O)cc1F
C500946	NC(=O)CN1CCN(C(=O)c2ccco2)CC1
C500947	COc1cc(C(=O)O)c(OC)cc1CBr
C500949	COC(=O)c1nn(-c2ccc(F)cc2)cc1O
C500952	NCC1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1
C500955	NCCCC1(C(F)F)CC1
C500956	CC(C)(C)OC(=O)N1CC(N(C(=O)OCC2c3ccccc3-c3ccccc32)C2CC(C(=O)O)C2)C1
C500957	CCOc1ccc(C)c(C)c1
C500958	Fc1ccc(C2CCCCN2)cc1Cl
C500959	Nc1cnc2ccsc2c1Cl
C500961	CC(C)(C)OC(=O)N1CCCCc2c(C(=O)O)cccc21
C500963	OCC(F)(F)Cc1ccccc1Br
C500965	C#CCOc1ccc(C(=O)O)cc1Br
C500967	CC(Cl)CC(=O)CCl
C500969	CC(C)N(C)Cc1ccc(OC2CCNC2)nc1
C500971	NS(=O)(=O)c1sc(Cl)nc1-c1ccccc1
C500975	NC(=NCC1C2CC3CC(C2)CC1C3)N1CCN(c2ncccn2)CC1
C500977	COC(=O)C12CN(C(c3ccccn3)c3ccccn3)CC(C(=O)OC)(C(c3ccccn3)N(CC(=O)O)C1c1ccccn1)C2O
C500979	COC(=O)c1cnc(Br)cc1I
C500980	NC(CCCO)C(F)(F)F
C500981	COc1ccc2c(C)nc(NC(=N)N)nc2c1
C500984	O=C(O)C1(CF)CC1C(F)(F)F
C500986	CCOC(=O)C1CC2(CC(O)C2)C1
C500989	Cc1ccc(-c2cc(N3CCC(CN)CC3)[nH]n2)cc1
C500990	O=S([O-])c1cc(F)ccc1C(F)F
C500991	O=C1CCC(N2Cc3c(ccc4c3OCO4)C2=O)C(=O)N1
C500993	CCCC1(C(=O)NC)CCCN1