smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOC(=O)c1[n-]n(-c2ccc(Cl)cc2)c2c([O-])n(-c3ccccc3[N+](=O)[O-])c(=O)c1-2	ZINC000100077695	557230949	/nfs/dbraw/zinc/23/09/49/557230949.db2.gz	CJFCGLDRIYXXAK-NVXWUHKLSA-N	-2	3	442.815	2.546	50	5		IFBAHL
CCOC(=O)c1[n-]n(-c2ccc(Cl)cc2)c2c([O-])n(-c3ccc([N+](=O)[O-])cc3)c(=O)c1-2	ZINC000016682625	568937601	/nfs/dbraw/zinc/93/76/01/568937601.db2.gz	KMWBBQOLMNGCIL-RDJZCZTQSA-N	-2	3	442.815	2.546	50	5		IFBAHL
COC(=O)[N-]C(=S)Nc1cc2nc3ccccc3nc2cc1[N-]C(=S)NC(=O)OC	ZINC000019911897	556943364	/nfs/dbraw/zinc/94/33/64/556943364.db2.gz	FSXZSQJIINHMOT-UHFFFAOYSA-N	-2	3	444.498	2.889	50	5		IFBAHL
Cc1[nH]c(=O)[n-]c(=O)c1S(=O)(=O)[N-]c1cc(SC2CCCCC2)cc([N+](=O)[O-])c1	ZINC000020489242	525401152	/nfs/dbraw/zinc/40/11/52/525401152.db2.gz	LLOTYQZIIKTWIA-UHFFFAOYSA-N	-2	3	440.503	2.505	50	5		IFBAHL
CCOC(=O)c1[n-]n(-c2ccc(Cl)cc2)c2c([O-])n(-c3ccccc3[N+](=O)[O-])c(=O)c1-2	ZINC000100077697	557231013	/nfs/dbraw/zinc/23/10/13/557231013.db2.gz	CJFCGLDRIYXXAK-DOTOQJQBSA-N	-2	3	442.815	2.546	50	5		IFBAHL
O=[N+]([O-])c1cc([C@@H]2NC(=S)N[C@](O)(C(F)(F)F)C2=C([O-])c2ccccc2)ccc1[O-]	ZINC000035570616	526797160	/nfs/dbraw/zinc/79/71/60/526797160.db2.gz	HRSWXPBHQXZLBK-GRDNDAEWSA-N	-2	3	441.387	2.569	50	5		IFBAHL
O=[N+]([O-])c1cc([C@H]2NC(=S)N[C@](O)(C(F)(F)F)C2=C([O-])c2ccccc2)ccc1[O-]	ZINC000035570621	526797314	/nfs/dbraw/zinc/79/73/14/526797314.db2.gz	HRSWXPBHQXZLBK-JJRVBVJISA-N	-2	3	441.387	2.569	50	5		IFBAHL
Cc1c(Br)cc(S(=O)(=O)[N-]c2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-]	ZINC000095447977	569367463	/nfs/dbraw/zinc/36/74/63/569367463.db2.gz	SJQUNIKGRUBGRH-UHFFFAOYSA-N	-2	3	439.251	2.647	50	5		IFBAHL
Cc1c(Br)cc(S(=O)(=O)[N-]c2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-]	ZINC000095447977	569367464	/nfs/dbraw/zinc/36/74/64/569367464.db2.gz	SJQUNIKGRUBGRH-UHFFFAOYSA-N	-2	3	439.251	2.647	50	5		IFBAHL
CCOC(=O)c1[n-]n(-c2ccc(Cl)cc2)c2c([O-])n(-c3ccccc3[N+](=O)[O-])c(=O)c1-2	ZINC000004143553	568781951	/nfs/dbraw/zinc/78/19/51/568781951.db2.gz	CJFCGLDRIYXXAK-WBVHZDCISA-N	-2	3	442.815	2.546	50	5		IFBAHL
CCOC(=O)c1[n-]n(-c2ccc(Cl)cc2)c2c([O-])n(-c3ccccc3[N+](=O)[O-])c(=O)c1-2	ZINC000004143554	568781960	/nfs/dbraw/zinc/78/19/60/568781960.db2.gz	CJFCGLDRIYXXAK-RDJZCZTQSA-N	-2	3	442.815	2.546	50	5		IFBAHL
O=[N+]([O-])c1cc([C@H]2NC(=S)N[C@@](O)(C(F)(F)F)C2=C([O-])c2ccccc2)ccc1[O-]	ZINC000035958831	526797580	/nfs/dbraw/zinc/79/75/80/526797580.db2.gz	HRSWXPBHQXZLBK-VBQJREDUSA-N	-2	3	441.387	2.569	50	5		IFBAHL
O=[N+]([O-])c1cc([C@@H]2NC(=S)N[C@@](O)(C(F)(F)F)C2=C([O-])c2ccccc2)ccc1[O-]	ZINC000011691799	557385149	/nfs/dbraw/zinc/38/51/49/557385149.db2.gz	HRSWXPBHQXZLBK-ZQIUZPCESA-N	-2	3	441.387	2.569	50	5		IFBAHL