smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCc1nnc(S/C(=C\c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2[O-])C(=O)[O-])o1	ZINC000408631561	231090677	/nfs/dbraw/zinc/09/06/77/231090677.db2.gz	KIISMHUOXKXZDT-WTKPLQERSA-N	-2	0	382.310	2.372	40	5		GEBBRL
CCCc1nc(SC(=Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2[O-])C(=O)[O-])n[nH]1	ZINC000408631947	528756788	/nfs/dbraw/zinc/75/67/88/528756788.db2.gz	NODMOTJEYBIIJZ-YHYXMXQVSA-N	-2	0	395.353	2.497	40	5		GEBBRL
CCc1nc(SC(=Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2[O-])C(=O)[O-])n[nH]1	ZINC000408631355	529744392	/nfs/dbraw/zinc/74/43/92/529744392.db2.gz	HXYLUFCMDVYIBV-WTKPLQERSA-N	-2	0	381.326	2.107	40	5		GEBBRL
O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2cc(Cl)cc(Br)c2[O-])[nH]1	ZINC000008376377	642351432	/nfs/dbraw/zinc/35/14/32/642351432.db2.gz	ZCFFNHXLAVCTRR-OWOJBTEDSA-N	-2	0	388.561	2.263	40	5		GEBBRL
O=[N+]([O-])c1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1	ZINC000039245337	570711579	/nfs/dbraw/zinc/71/15/79/570711579.db2.gz	ADRSMOOUKXSLIG-AATRIKPKSA-N	-2	0	385.375	2.259	40	5		GEBBRL
O=[N+]([O-])c1cc(Cc2cc([N+](=O)[O-])c([O-])c([N+](=O)[O-])c2)cc([N+](=O)[O-])c1[O-]	ZINC000043443266	570381615	/nfs/dbraw/zinc/38/16/15/570381615.db2.gz	HWPJOGXDDWSUFP-UHFFFAOYSA-N	-2	0	380.225	2.321	40	5		GEBBRL
O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2cc(Br)cc(Cl)c2[O-])[nH]1	ZINC000006505209	531525130	/nfs/dbraw/zinc/52/51/30/531525130.db2.gz	QCFDNTDDWSEZAK-OWOJBTEDSA-N	-2	0	388.561	2.263	40	5		GEBBRL