smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(CSc1nc2ccc(Cl)cc2[nH]1)Nc1ccc(Cl)c([N+](=O)[O-])c1	ZINC000004406997	204044828	/nfs/dbraw/zinc/04/48/28/204044828.db2.gz	BKVKHOFOGGELEQ-UHFFFAOYSA-N	0	1	397.243	4.509	40	5		GJBBMN
CCCCOc1ccc2nc(Sc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2c1	ZINC000085397318	570320336	/nfs/dbraw/zinc/32/03/36/570320336.db2.gz	LFFSUYBKNJGPGQ-UHFFFAOYSA-N	0	1	388.405	4.709	40	5		GJBBMN
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc2c(c1)oc1ccccc12	ZINC000224154168	570425000	/nfs/dbraw/zinc/42/50/00/570425000.db2.gz	BQEUKEFHXXYRNW-UHFFFAOYSA-N	0	1	382.397	4.603	40	5		GJBBMN
COc1cc([N+](=O)[O-])cc(/C=C/c2c3ccccc3c3ccccc3[n+]2C)c1[O-]	ZINC000035183262	570550406	/nfs/dbraw/zinc/55/04/06/570550406.db2.gz	ZFPIJTBWYYZJOO-UHFFFAOYSA-O	0	1	387.415	4.610	40	5		GJBBMN
O=Cc1cc([N+](=O)[O-])ccc1Sc1nc(-c2ccc(Cl)cc2Cl)n[nH]1	ZINC000409274880	231188432	/nfs/dbraw/zinc/18/84/32/231188432.db2.gz	GNDBCVDJRNGXJI-UHFFFAOYSA-N	0	1	395.227	4.650	40	5		GJBBMN
O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccccc2Sc2ccccc2)c1	ZINC000006270476	570352291	/nfs/dbraw/zinc/35/22/91/570352291.db2.gz	JCDCHCDUELEOBO-UHFFFAOYSA-N	0	1	386.454	4.547	40	5		GJBBMN
Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl	ZINC000001739282	206389879	/nfs/dbraw/zinc/38/98/79/206389879.db2.gz	AUOZWNLTMHLRTG-UHFFFAOYSA-N	0	1	395.651	4.664	40	5		GJBBMN
O=[N+]([O-])c1ccc(CSc2nc(-c3ccc(Cl)cc3Cl)n[nH]2)cc1	ZINC000020195564	207181875	/nfs/dbraw/zinc/18/18/75/207181875.db2.gz	NJDHWEAVFJWBIT-UHFFFAOYSA-N	0	1	381.244	4.979	40	5		GJBBMN