Compound List

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Compound	Smiles	Mol
C498630	C#CCCc1ccnc(Cl)c1
C498631	O=C1Nc2c(Br)cccc2C12CC2
C498632	CCOC(=O)C(C)n1cc(C(N)=O)c([N+](=O)[O-])n1
C498636	CC(C)(C)OC(=O)N1CC(CC(=O)O)C12CCOCC2
C498639	Cc1cccc(Br)c1C(N)C(=O)O
C498640	Cc1nc(Cl)c(N)c(C)c1Cl
C498643	CCCCOc1ccc2c3c(cccc13)C(C=CC1=C(c3ccc(OC)cc3)C(=CC=c3c4cccc5c(OCCCC)ccc(c54)n3CCCC)CC(C)C1)=[N+]2CCCC
C498644	COc1cccc(-c2cscn2)c1
C498646	Cc1nc(CC(C)C)sc1N(Cc1cccc(C#N)c1)C(=O)Nc1cnc2ccccc2c1
C498647	CCC(CBr)CC(C)C
C498648	OC1CCNC2(COC2)C1
C498649	CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CCC(O)CC(O)CC(=O)NCCC(O)CC(O)CC(=O)[O-]
C498657	CC(C)(C)OC(=O)NCc1ccc2cc(S(N)(=O)=O)ccc2c1
C498659	NC1C2C3CC1C(F)(F)C32
C498660	COc1ccccc1CC(C)(C)CN
C498663	NN1CCC(c2ccc(Br)cc2)CC1
C498665	Cc1ccc(OCn2ccc(C(=O)O)n2)cc1
C498667	OCc1cnc(Br)cc1I
C498668	CC(C)CCCC(CC(=O)O)NC(=O)OC(C)(C)C
C498669	CC1(C)C(CN)CC1(F)F
C498671	Cc1nccc(S)c1Cl
C498672	C[Si](C)(C)C#CN1CCOCC1
C498676	Oc1cc(Br)cc(O)c1F
C498677	CCc1cccc(N(CC)C(=O)Cn2c(C(=O)NC3CCC(C(=O)NCCCCCCS(=O)(=O)O)CC3)cc3ccccc32)c1
C498678	Cc1nn2cc(B3OC(C)(C)C(C)(C)O3)cnc2c1C#N
C498681	Cc1cnc(Cl)c(NC(=O)OCC(F)(F)F)c1
C498682	CON(C)CC(O)Cn1cc(N)cn1
C498685	Cc1c(I)nc2n1CCOC2
C498686	CCOCCOCCOC(=O)CSc1ccc(Br)c(Br)n1
C498688	CC(=O)NC(C)CCc1ccc(Oc2ccc(OC(C)C)nc2)cc1
C498690	CC(C)(C)OC(=O)C(F)(F)C12CC(C1)C2
C498691	CC(C)c1cccc(N)n1
C498692	CCOC(Cc1ccc(N)cc1)OCC
C498694	CC(CCCCBr)NC(=O)OC(C)(C)C
C498695	FC(F)(F)c1cc(-c2ccco2)[nH]n1
C498699	Cc1cc(Br)cc(C(=O)NN)c1
C498701	Cc1cccc(C2(O)CC(C(=O)O)C2)c1
C498703	CCOC(=O)C1=NN(c2ccc(F)cc2F)C(OCC)C1
C498704	Cn1ncc2cnc(C(=O)O)cc21
C498706	COC1(OC)CCC(CN)C1
C498711	Nc1cc2n(n1)CCO2
C498713	COC(=O)C(N)CCCCNC(=O)C(F)(F)F
C498714	Cc1cc(C)n2ncc(C(=O)Nc3cccc(NC(=O)C4CC4)c3)c2n1
C498715	O=C(O)C1CC(=O)N2CCCCC2C1
C498716	Cc1c(C(=O)O)nnn1CCN
C498720	COCCC12CC(I)(C1)C2
C498721	O=C(O)c1ccc(Cl)c(S(=O)(=O)NCCc2ccc(F)cc2)c1
C498722	O=C1CCCc2ccc(OCc3ccccc3)cc21
C498723	O=CCc1ccc(Cl)cc1
C498725	COc1ccc(N)c(O)c1F
C498726	O=C1NC(=O)C2(N3C(=O)c4cccc(Br)c4C3=O)CC1C2
C498727	c1cc(N2CCC(CNCCN3CCCCC3)CC2)c2nsnc2n1
C498730	[N-]=[N+]=Nc1cc(F)c(Cl)cc1Cl
C498731	O=C1CCCN1C1CCN(Cc2ccccc2)CC1
C498737	Nc1ccc(C(c2ccc(N)cc2)c2ccc(N)cc2)cc1
C498738	CCC(=O)Nc1ccc(C(C)=NO)cc1
C498740	CCOS(=O)(=O)C=CC(C)NC(=O)OC(C)(C)C
C498741	C=CCc1cc(B2OC(C)(C)C(C)(C)O2)ccc1O
C498742	FC(F)(F)c1n[nH]c2nc3ccccc3n12
C498744	NCc1cncc(O)n1
C498745	O=C(O)c1ccc(N=C=S)cc1O
C498748	C=CCN(CC(O)C=C)C(=O)OC(C)(C)C
C498749	O=C(CCl)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1
C498752	O=C(O)c1cccc2[nH]c(C(F)(F)F)cc12
C498753	OCCn1c(CCl)nc2cc(Cl)ccc21
C498754	CCCCCC(=O)c1ccc(C)o1
C498755	COc1ccc(N2C(=O)C(F)(F)C2c2ccccc2F)cc1
C498757	Nc1nccn2c(C(F)F)nnc12
C498759	N#Cc1cncc(-c2ccc(N)cc2)c1
C498760	O=S(=O)(Cl)CCC1CCCCCC1
C498761	C=C(CCC(=C)c1ccccc1)C(=O)OC
C498762	CC(=O)N1CCc2ccc(S(N)(=O)=O)cc2C1
C498763	Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1
C498765	CC(C)(C)OC(=O)N1CCC2(CC1)CC(O)(C(=O)O)C2
C498769	COC(=O)c1c(C)[nH]c(C(c2ccccc2)c2[nH]c(C)c(C(=O)OC)c2Cc2cc(Cl)ccc2Cl)c1Cc1cc(Cl)ccc1Cl
C498771	COC(=O)c1ccc2c(c1C)NCCO2
C498772	CC(C)(C)OC(=O)NC12CC(C(=O)CBr)(C1)C2
C498774	O=C(NC1CCc2sc(C(=O)O)cc21)OCC1c2ccccc2-c2ccccc21
C498777	CC1(C)OB(c2cccc(SC(F)F)c2)OC1(C)C
C498779	CC(C)(C)OC(=O)N1CC(C(=O)O)Oc2ccccc21
C498781	COC(=O)Cn1c(C)cc2cc(Br)ccc21
C498785	CC(C)(C)OC(=O)NC1CCN(CCc2ccc(Br)cc2)CC1
C498786	CC(C)Cn1cc(B(O)O)cn1
C498787	ICCOCCOCCI
C498789	CN(CC1(O)CC1)C(=O)OC(C)(C)C
C498790	O=Cc1ccnc(OCc2ccccc2)c1
C498793	CC(C)(C)OC(=O)NCCc1nc(C(=O)O)c(NC(=O)OCC2c3ccccc3-c3ccccc32)s1
C498796	Clc1ccc2c(c1)CCCO2
C498798	O=C1C2C3C=CC(C3)C2C(=O)N1CCCCCl
C498801	CC(C#N)c1cc(Cl)ccc1Cl
C498805	CC(CC(=O)O)(NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1
C498806	O=C(O)C1(C(=O)N2CC3CCCCC3C2)CC1
C498807	O=C1CS(=O)(=O)c2ccncc21
C498808	CN1CC(=O)Nc2ccc(Br)cc2C1=O
C498812	COC(=O)c1cc(C=O)c2ccccc2c1
C498813	C=CC(=O)NCc1ccc(N)cc1
C498814	NCc1ccnc(O)n1
C498817	CC(C)(CN)c1cc(C(F)(F)F)ccn1
C498818	NCCc1ccc(O)c([N+](=O)[O-])c1
C498819	O=[N+]([O-])CCc1c[nH]c2ccc(F)nc12