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)[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)[O-]	ZINC000000125875	415125983	/nfs/dbraw/zinc/12/59/83/415125983.db2.gz	RKMLSEJNBSKLDI-SNVBAGLBSA-N	-2	3	302.308	0.982	50	5		DCBAHL
O=c1nc(C=Cc2ccc3c(c2)OCO3)c([N+](=O)[O-])c([O-])[n-]1	ZINC000005012589	395682587	/nfs/dbraw/zinc/68/25/87/395682587.db2.gz	DDMIGSXWDRQILX-IWQZZHSRSA-N	-2	3	303.230	0.871	50	5		DCBAHL
CC(C)[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)[O-]	ZINC000000125872	280328987	/nfs/dbraw/zinc/32/89/87/280328987.db2.gz	RKMLSEJNBSKLDI-JTQLQIEISA-N	-2	3	302.308	0.982	50	5		DCBAHL
Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC(=O)[O-])cc1Cl	ZINC000005679300	181271555	/nfs/dbraw/zinc/27/15/55/181271555.db2.gz	IJAXNPPTOHPORO-UHFFFAOYSA-N	-2	3	308.699	0.920	50	5		DCBAHL
O=c1nc(C=Cc2ccc([N+](=O)[O-])c([O-])c2)c([N+](=O)[O-])c([O-])[n-]1	ZINC000141857693	395958251	/nfs/dbraw/zinc/95/82/51/395958251.db2.gz	IWZFVUKTQXNPNL-HNQUOIGGSA-N	-3	3	320.217	0.756	50	5		DCBAHL
O=C([O-])c1nonc1[N-]Cn1nnc2cc([N+](=O)[O-])ccc21	ZINC000022064716	395691765	/nfs/dbraw/zinc/69/17/65/395691765.db2.gz	NYEFPWXDNPGALV-UHFFFAOYSA-N	-2	3	305.210	0.490	50	5		DCBAHL