smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1CN(N=Cc2cc([O-])c([N+](=O)[O-])o2)C(=O)N1	ZINC000006091427	351324273	/nfs/dbraw/zinc/32/42/73/351324273.db2.gz	IYLRNNITFNQLKH-MFVSGPAISA-N	-1	0	254.158	-0.550	2	5		CBBFRM
C[N+](C)(C)C[C@H](CC(=O)[O-])OC(=O)CCC(=O)[O-]	ZINC000096094858	717140769	/nfs/dbraw/zinc/14/07/69/717140769.db2.gz	HAEVNYBCYZZDFL-QMMMGPOBSA-O	-1	0	262.282	-0.056	1	5	in-vitro	CBBFRM
NC1=NS(=O)(=O)[N-]c2[nH]c(-c3ccc([N+](=O)[O-])o3)nc21	ZINC000001633374	169730064	/nfs/dbraw/zinc/73/00/64/169730064.db2.gz	MFZIUVRPQNKZFL-UHFFFAOYSA-N	-1	0	298.240	-0.047	1	5		CBBFRM
O=C([O-])COCc1cc([N+](=O)[O-])cc2[nH]c(=O)c(=O)[nH]c12	ZINC000026574426	171492953	/nfs/dbraw/zinc/49/29/53/171492953.db2.gz	FPNCIRXCHYQYDB-UHFFFAOYSA-N	-1	0	295.207	-0.274	1	5		CBBFRM
CS(=O)(=O)N[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000005722981	170133117	/nfs/dbraw/zinc/13/31/17/170133117.db2.gz	WGUWWIMJVZFJBO-UHFFFAOYSA-N	-1	0	295.298	-0.663	1	5		CBBFRM