smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[C@@H](C)C[N@H+]1CCc2c([N+](=O)[O-])cc3[nH]c(=O)c(=O)[nH]c3c2C1	ZINC000013743362	581099333	/nfs/dbraw/zinc/09/93/33/581099333.db2.gz	ZBDVIWWAJGDHPV-SECBINFHSA-N	1	1	332.360	1.529	1	5		EDBFMO
CC(=O)O[C@H]1C[C@H]2C[C@@H](OC(=O)c3ccc([N+](=O)[O-])cc3)C[C@@H]1[N@H+]2C	ZINC000040835298	213391706	/nfs/dbraw/zinc/39/17/06/213391706.db2.gz	TUZGSZRCHIXFHP-WCVJEAGWSA-N	1	1	348.355	1.918	1	5		EDBFMO
CC(=O)O[C@H]1C[C@@H]2C[C@@H](OC(=O)c3ccc([N+](=O)[O-])cc3)C[C@H]1[N@H+]2C	ZINC000040835300	213392204	/nfs/dbraw/zinc/39/22/04/213392204.db2.gz	TUZGSZRCHIXFHP-JJXSEGSLSA-N	1	1	348.355	1.918	1	5		EDBFMO
O=c1c2cc(Cl)c([N+](=O)[O-])cc2nnn1[C@H]1C[NH+]2CCC1CC2	ZINC000026743278	202147444	/nfs/dbraw/zinc/14/74/44/202147444.db2.gz	XULVFQFXXXVUPZ-ZDUSSCGKSA-N	1	1	335.751	1.620	1	5		EDBFMO
CN(C)c1ccc2nc3c(=O)cc(N4CC[NH+](C)CC4)cc-3oc2c1	ZINC000028643301	135741446	/nfs/dbraw/zinc/74/14/46/135741446.db2.gz	RRCPIEORFMSYNT-UHFFFAOYSA-O	1	1	339.419	1.422	1	5		EDBFMO