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)Nc2cc([N+](=O)[O-])ccc2C)c(C(=O)OC)c1C	ZINC000514295285	1059098096	/nfs/dbraw/zinc/09/80/96/1059098096.db2.gz	BKBHMONYBSZDJZ-AWEZNQCLSA-N	0	1	559.644	2.885	20	5		KFBDMN
COC(=O)c1sc(S(=O)(=O)N[C@H](CCSC)C(=O)Nc2cc([N+](=O)[O-])ccc2C)c(C(=O)OC)c1C	ZINC000514295286	1059098056	/nfs/dbraw/zinc/09/80/56/1059098056.db2.gz	BKBHMONYBSZDJZ-CQSZACIVSA-N	0	1	559.644	2.885	20	5		KFBDMN
CCN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1	ZINC000514296128	1059101406	/nfs/dbraw/zinc/10/14/06/1059101406.db2.gz	JWYYDUNTRMKZPZ-UHFFFAOYSA-N	0	1	538.026	2.663	20	5		KFBDMN
CCN(CC)S(=O)(=O)c1ccc(N2CCN(CC)CC2)c(NC(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)c1	ZINC000514298631	1059159589	/nfs/dbraw/zinc/15/95/89/1059159589.db2.gz	DETIRGZLMZAPPB-UHFFFAOYSA-N	0	1	547.634	2.806	20	5		KFBDMN
CCN(CC)S(=O)(=O)c1ccc(OCC(=O)NC[C@H](c2cccc(OC)c2)N2CCCC2)c([N+](=O)[O-])c1	ZINC000514304685	1059213437	/nfs/dbraw/zinc/21/34/37/1059213437.db2.gz	WJYJRJFIKSGLBM-HSZRJFAPSA-N	0	1	534.635	2.966	20	5		KFBDMN
CCN(CC)S(=O)(=O)c1ccc(OCC(=O)NC[C@@H](c2cccc(OC)c2)N2CCCC2)c([N+](=O)[O-])c1	ZINC000514304686	1059213539	/nfs/dbraw/zinc/21/35/39/1059213539.db2.gz	WJYJRJFIKSGLBM-QHCPKHFHSA-N	0	1	534.635	2.966	20	5		KFBDMN
CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N2CCCN(Cc3ccc(OC)cc3)CC2)c([N+](=O)[O-])c1	ZINC000514304846	1059213356	/nfs/dbraw/zinc/21/33/56/1059213356.db2.gz	ZXGWLFYFWMVTNT-UHFFFAOYSA-N	0	1	534.635	2.747	20	5		KFBDMN
CCN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)c2ccc(SC)c([N+](=O)[O-])c2)CC1	ZINC000514380060	1059278174	/nfs/dbraw/zinc/27/81/74/1059278174.db2.gz	ICUGGXDDNPQUOC-UHFFFAOYSA-N	0	1	549.675	2.732	20	5		KFBDMN
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1	ZINC000514380763	1059228145	/nfs/dbraw/zinc/22/81/45/1059228145.db2.gz	PNRVJJKTGLSBRS-UHFFFAOYSA-N	0	1	512.610	2.571	20	5		KFBDMN
CCN(CC)S(=O)(=O)c1ccc(OCC(=O)Nc2ccccc2N2CCN(CC)CC2)c([N+](=O)[O-])c1	ZINC000514382565	1059295233	/nfs/dbraw/zinc/29/52/33/1059295233.db2.gz	PZHDGUSLXNCRGW-UHFFFAOYSA-N	0	1	519.624	2.785	20	5		KFBDMN
CCN(CC)S(=O)(=O)c1ccc(N2CCN(CC)CC2)c(NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)c1	ZINC000514382566	1059295784	/nfs/dbraw/zinc/29/57/84/1059295784.db2.gz	QAXONJFOODZVSU-UHFFFAOYSA-N	0	1	560.677	2.526	20	5		KFBDMN
COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1	ZINC000514394257	1059386318	/nfs/dbraw/zinc/38/63/18/1059386318.db2.gz	LECFSSFJTRULJX-CALCHBBNSA-N	0	1	506.581	2.633	20	5		KFBDMN