Compound List

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Compound	Smiles	Mol
C500610	NC1COC2(CCCOC2)C1
C500611	CC1=NC(=Cc2cc(F)c(O)c(F)c2)C(=O)N1C
C500612	O=C1CCC(N2C(=O)c3ccc(N4CCN(CC5CCNCC5)CC4)cc3C2=O)C(=O)N1
C500614	NC(=O)N1CCCNCCC1
C500616	O=C(O)CN1CC(=O)Oc2ccc(Cl)cc21
C500617	CC(C)(N)C1CC1C(=O)O
C500618	CCOC(=O)c1cc(N)ccc1N(Cc1ccccc1)Cc1ccccc1
C500619	O=C(O)c1occc1I
C500621	O=S(=O)([O-])c1cc([O-])c(S(=O)(=O)[O-])cc1[O-]
C500624	Cc1cc(Cl)nc(C2CCCOC2)n1
C500625	COC(=O)c1cc(Br)c2cc[nH]c2c1
C500626	CC(C)(C)OC(=O)NC1(CCN)CCC(F)(F)CC1
C500628	CC(C)(C)OC(=O)N1CCn2c(cnc2C(=O)[O-])C1
C500629	Clc1ccccc1C1CSCCN1
C500630	CC(=O)C(C#N)=NNc1ccccc1Cl
C500636	C1C2CC3CC(CC1O3)O2
C500639	CC(Cl)C=CC(=O)N(Cc1cnc(Cl)s1)CC(C)C
C500642	CCOC(=O)C(=[N+]=[N-])C(=O)C1(NC(=O)OC(C)(C)C)CC1
C500643	O=C(O)C1CCC(Cn2c(=O)[nH]c3ccccc3c2=O)CC1
C500644	CC1CC(C)(C)OC(c2ccc(B(O)O)cc2)O1
C500653	CC(C)(C)OC(=O)NCC12COCC(CN)(C1)C2
C500654	C=CCC(C)(C)CCC#N
C500655	O=C(Cl)c1nc(Cl)sc1Cl
C500657	O=C(NCC1COCC2(CCC2)O1)c1ccccc1
C500659	COC(=O)c1cnoc1CN=[N+]=[N-]
C500660	CC(=O)NCc1ccc(C(=O)N2CCCC2C(=O)O)cc1
C500661	COCOc1c(Cl)cccc1Br
C500662	N#CCc1ccc(C(=O)O)cc1Cl
C500664	Cn1c(C(=O)O)cc(N)c1-c1ccccn1
C500667	C=CC(=C)CBr
C500668	Oc1ccccc1-c1ccc(Cl)cc1
C500670	O=c1cc(N2CCC(CO)CC2)nc[nH]1
C500671	COc1cncc(Cl)c1
C500672	CC(C)(C)OC(=O)N1CC(CC23CC(NC(=O)OCc4ccccc4)(C2)C3)C1
C500679	O=C(O)C(=O)CCl
C500680	C#Cc1cccc(N(C)S(=O)(=O)c2sc(NC(=O)CCC)nc2C)c1
C500681	CN1CC(NC(=O)OC(C)(C)C)C1
C500683	N#CCC(=O)Nc1cc(Cl)ccc1N1CCOCC1
C500684	Nc1cnc(Br)cc1I
C500685	COc1ccc(C)cc1NCCCC(=O)O
C500686	CCn1c(CN)cnc1C
C500689	Fc1ccc(I)c(Cl)c1Cl
C500690	O=C(O)c1ccc(Cn2nc(C(F)F)c(Br)c2C(F)F)o1
C500693	COc1ccccc1-c1cccc(C2NCCNC2=O)c1
C500694	O=C(CO)C1CC1
C500696	CC(C)(C)OC(=O)NC(C(=O)O)C(O)C1CC1
C500697	Nc1ncncc1O
C500698	COC(=O)c1c(Cl)nc(C2CC2)nc1Cl
C500700	Cc1nc2c(c(C)c1C(=O)O)C(=O)CCC2
C500701	CCOC(=O)c1c(N)n(C)c2ccc(Cl)cc12
C500702	O=C(O)c1cc(-c2c(F)cccc2F)on1
C500703	Nc1nnc(-c2cn[nH]c2)o1
C500708	COC(=O)C1(CC(C)=O)CN(C(=O)OCC2c3ccccc3-c3ccccc32)C1
C500710	CCCC(CC)CCO
C500713	Cc1ccc2c(O)ccnc2c1
C500715	Cc1cc(C)c2c(c1)C(=NO)C(=O)N2
C500716	O=C(O)C1CC1S(=O)(=O)c1ccc(F)cc1
C500717	Nc1csc(-c2c(F)cccc2F)n1
C500720	Cc1ccc(-c2ncon2)cc1Br
C500722	Cc1cccc(CSc2ccc(C(=O)O)nc2)c1
C500724	CCOc1nnc(C)[nH]1
C500725	Cc1ccc(S(=O)(=O)NC2CC(CBr)(OCC(C)C)C2)cc1
C500726	Oc1ncnn2c(I)cnc12
C500729	CC(C)(C)OC(=O)N1CCC(C)(OCCOCCN=[N+]=[N-])C1
C500732	O=C1CCNCCN1c1cn[nH]c1
C500734	Cc1nnc2ncc(Br)cn12
C500735	CN(N=O)C1=Nc2ccc(Cl)cc2C(c2ccccc2)=[N+]([O-])C1
C500736	O=Cc1cn(CCO)nn1
C500739	O=C(Nc1nc2c(C(F)(F)F)cccc2s1)c1cc(=O)c2ccccc2o1
C500741	CS(=O)(=O)c1ccc(C2=C(c3ccccc3)C(=O)OC2)cc1
C500747	O=NN1CCN(CC(=O)O)CC1
C500749	Cc1[nH]c(=O)c(C(=O)O)cc1I
C500750	CCNC(C)Cc1cccc2cnsc12
C500752	c1nc(N2CCCNCC2)c2nc[nH]c2n1
C500754	COC(=O)C12CCCC(CC1)N2Cc1ccccc1
C500758	O=Cc1c(I)cccc1C(F)(F)F
C500759	O=C(O)c1cc2nc[nH]c2[nH]c1=O
C500761	CC(C)(C)OC(=O)N1CC2(C1)CC2(F)C(=O)O
C500763	O=C1C=C(c2ccccc2)C1
C500765	COC(=O)c1ccc(N)c2c1OCO2
C500766	O=C(O)c1c(C(F)F)[nH]c2cccnc12
C500768	CC(C)(C)S(=O)(=O)C1CC1CBr
C500769	O=C(O)c1ccc(F)c(C(=O)O)c1F
C500773	ClCc1ccc2ccoc2c1
C500775	CNC(=O)C(N)c1ccc(OC)cc1
C500777	COc1ccc2ccc(C(=O)O)nc2c1
C500779	CS(=O)CCCO
C500780	CC(C)(C)OC(=O)N1CCN(Cc2ccc(Cl)nn2)CC1(C)C
C500785	Cc1nc(S)nn1-c1ccccc1
C500787	Cc1c(B2OC(C)(C)C(C)(C)O2)ccnc1N
C500789	CC(=CC(=O)c1cccnc1)Nc1cccc(O)c1
C500793	CC(C)(C)[Si](C)(C)OC(C=O)C1CCC1
C500794	COc1cccc(-c2cc[nH]c2)c1
C500795	NNC(=O)CCC1CCCCC1
C500796	COC(=O)Cc1ccc(C)c(B2OC(C)(C)C(C)(C)O2)c1
C500798	O=C(CCl)c1ccc2cc[nH]c2c1
C500801	CC1(COS(=O)(=O)C(F)(F)F)CCCC1(F)F
C500802	CC(=O)N1CCc2nc(N3CCC(Oc4ccc(F)cc4F)CC3)c(NC(C)C)nc2C1
C500803	Nc1ccc(OCC2CC2)c(Cl)c1
C500804	COC(=O)c1cc(Br)cc2c1N(C(=O)OC(C)(C)C)CC2