smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(NC(=O)C(O)=C(Cc2c(O)[nH]c(=S)[nH]c2=O)C(=O)c2ccc3ccccc3c2)c([N+](=O)[O-])c1	ZINC000102977452	555186563	/nfs/dbraw/zinc/18/65/63/555186563.db2.gz	FOOGIACKRONMOH-KRWDZBQOSA-N	-1	2	548.533	2.301	40	5		KEBBLM
COc1ccc(NC(=O)C(O)=C(Cc2c([O-])[nH]c(=S)[nH]c2=O)C(=O)c2ccc3ccccc3c2)c([N+](=O)[O-])c1	ZINC000102977454	555186818	/nfs/dbraw/zinc/18/68/18/555186818.db2.gz	FOOGIACKRONMOH-QGZVFWFLSA-N	-1	2	548.533	2.301	40	5		KEBBLM
CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc([N+](=O)[O-])c(O)cc4[O-])c(=O)n32)cc1OCC	ZINC000408936210	1066209140	/nfs/dbraw/zinc/20/91/40/1066209140.db2.gz	ORNWLROEAODHLU-CXUQIOAJSA-N	-1	2	541.538	2.135	40	5		KEBBLM
CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc([N+](=O)[O-])c(O)cc4[O-])c(=O)n32)cc1OCC	ZINC000408936215	1066392506	/nfs/dbraw/zinc/39/25/06/1066392506.db2.gz	ORNWLROEAODHLU-YLQLIIAJSA-N	-1	2	541.538	2.135	40	5		KEBBLM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])c(O)cc3[O-])c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1	ZINC000409030077	1066399454	/nfs/dbraw/zinc/39/94/54/1066399454.db2.gz	CDSJSDFSRZNSQT-ROOYPZPVSA-N	-1	2	613.601	2.068	40	5		KEBBLM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])c(O)cc3[O-])c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1	ZINC000409030078	1066399341	/nfs/dbraw/zinc/39/93/41/1066399341.db2.gz	CDSJSDFSRZNSQT-WNSYTLDPSA-N	-1	2	613.601	2.068	40	5		KEBBLM