smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)c1sc(S(=O)(=O)[N-][C@H](CCSC)C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)c(C(=O)OC)c1C	ZINC000514296443	1066208906	/nfs/dbraw/zinc/20/89/06/1066208906.db2.gz	LVFSJCYLWCKOIP-CVEARBPZSA-N	-1	0	591.730	0.880	20	0		KCADRM
COC(=O)c1sc(S(=O)(=O)[N-][C@@H](CCSC)C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)c(C(=O)OC)c1C	ZINC000514296446	1066208774	/nfs/dbraw/zinc/20/87/74/1066208774.db2.gz	LVFSJCYLWCKOIP-HOTGVXAUSA-N	-1	0	591.730	0.880	20	0		KCADRM
COC(=O)c1sc(S(=O)(=O)[N-][C@H](CCSC)C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)c(C(=O)OC)c1C	ZINC000514296447	1066208859	/nfs/dbraw/zinc/20/88/59/1066208859.db2.gz	LVFSJCYLWCKOIP-HZPDHXFCSA-N	-1	0	591.730	0.880	20	0		KCADRM
COC(=O)c1sc(S(=O)(=O)[N-][C@@H](CCSC)C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)c(C(=O)OC)c1C	ZINC000514296448	1066208790	/nfs/dbraw/zinc/20/87/90/1066208790.db2.gz	LVFSJCYLWCKOIP-JKSUJKDBSA-N	-1	0	591.730	0.880	20	0		KCADRM
O=S(=O)([N-]c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)c1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000514297814	1066209318	/nfs/dbraw/zinc/20/93/18/1066209318.db2.gz	SNFTXDSDOVVSJV-UHFFFAOYSA-N	-1	0	549.624	0.668	20	0		KCADRM
COc1ccc(C(=O)NCCO)cc1S(=O)(=O)[N-]c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1	ZINC000514379653	1066215252	/nfs/dbraw/zinc/21/52/52/1066215252.db2.gz	CAJUMRJRVRXNRT-UHFFFAOYSA-N	-1	0	534.012	0.892	20	0		KCADRM
COC(=O)c1sc(S(=O)(=O)[N-][C@@H](CCSC)C(=O)N2CCN(C(C)=O)CC2)c(C(=O)OC)c1C	ZINC000514380401	1066223692	/nfs/dbraw/zinc/22/36/92/1066223692.db2.gz	JVTUSPJSXGKMCG-AWEZNQCLSA-N	-1	0	535.666	0.720	20	0		KCADRM
COC(=O)c1sc(S(=O)(=O)[N-][C@H](CCSC)C(=O)N2CCN(C(C)=O)CC2)c(C(=O)OC)c1C	ZINC000514380402	1066223757	/nfs/dbraw/zinc/22/37/57/1066223757.db2.gz	JVTUSPJSXGKMCG-CQSZACIVSA-N	-1	0	535.666	0.720	20	0		KCADRM
COC(=O)c1sc(S(=O)(=O)[N-][C@H](CCSC)C(=O)NCCNC(C)=O)c(C(=O)OC)c1C	ZINC000514380929	1066213381	/nfs/dbraw/zinc/21/33/81/1066213381.db2.gz	RUKJGCIAEWXYAS-GFCCVEGCSA-N	-1	0	509.628	0.282	20	0		KCADRM
COC(=O)c1sc(S(=O)(=O)[N-][C@@H](CCSC)C(=O)NCCNC(C)=O)c(C(=O)OC)c1C	ZINC000514380930	1066213348	/nfs/dbraw/zinc/21/33/48/1066213348.db2.gz	RUKJGCIAEWXYAS-LBPRGKRZSA-N	-1	0	509.628	0.282	20	0		KCADRM
COC(=O)c1sc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)c(C(=O)OC)c1C	ZINC000514383389	1066217267	/nfs/dbraw/zinc/21/72/67/1066217267.db2.gz	CYDIAGBPWRDNNO-CYBMUJFWSA-N	-1	0	566.657	0.896	20	0		KCADRM
COC(=O)c1sc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N[C@H]3CCS(=O)(=O)C3)cc2)c(C(=O)OC)c1C	ZINC000514383391	1066217057	/nfs/dbraw/zinc/21/70/57/1066217057.db2.gz	CYDIAGBPWRDNNO-ZDUSSCGKSA-N	-1	0	566.657	0.896	20	0		KCADRM
COc1ccc(S(=O)(=O)NC2CC2)cc1[N-]S(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000514394972	1066230920	/nfs/dbraw/zinc/23/09/20/1066230920.db2.gz	YGSCIGKZRYWXAQ-UHFFFAOYSA-N	-1	0	531.634	0.958	20	0		KCADRM
CCNc1ccc(S(=O)(=O)N2CCOCC2)cc1[N-]S(=O)(=O)c1ccc(S(=O)(=O)NC)cc1	ZINC000514401739	1066226388	/nfs/dbraw/zinc/22/63/88/1066226388.db2.gz	CSQDUSBVEZQFKW-UHFFFAOYSA-N	-1	0	518.639	0.848	20	0		KCADRM
CC(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N[C@H]3CCS(=O)(=O)C3)cc2)s1	ZINC000514404679	1066232251	/nfs/dbraw/zinc/23/22/51/1066232251.db2.gz	ILMIVEIBENDMCW-AWEZNQCLSA-N	-1	0	507.637	0.650	20	0		KCADRM
CC(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)s1	ZINC000514404680	1066232107	/nfs/dbraw/zinc/23/21/07/1066232107.db2.gz	ILMIVEIBENDMCW-CQSZACIVSA-N	-1	0	507.637	0.650	20	0		KCADRM
COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)ccc1C	ZINC000514404752	1066232186	/nfs/dbraw/zinc/23/21/86/1066232186.db2.gz	LNTNYLFOEZGYEZ-UHFFFAOYSA-N	-1	0	530.603	0.948	20	0		KCADRM