smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2cc(Cc3ccccc3)ccc2O)[nH]1	ZINC000107836803	543279279	/nfs/dbraw/zinc/27/92/79/543279279.db2.gz	FYFNDZZYCBLZHT-BQYQJAHWSA-N	-2	0	365.345	2.438	40	5		FEBBRL
CCOc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)ccc1OC(C)=O	ZINC000409346521	570752122	/nfs/dbraw/zinc/75/21/22/570752122.db2.gz	LFJBLDQIYMDTEM-ALCCZGGFSA-N	-2	0	361.310	2.290	40	5		FEBBRL
O=[N+]([O-])c1cc(-c2cc([N+](=O)[O-])c([O-])c([N+](=O)[O-])c2)cc([N+](=O)[O-])c1[O-]	ZINC000043450378	208305894	/nfs/dbraw/zinc/30/58/94/208305894.db2.gz	WBMBLPWFXWGOMD-UHFFFAOYSA-N	-2	0	366.198	2.398	40	5		FEBBRL
O=C([O-])c1ccc(C(=O)c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)cc1[N+](=O)[O-]	ZINC000008935157	209477716	/nfs/dbraw/zinc/47/77/16/209477716.db2.gz	SBLBFLRPCYNNAR-UHFFFAOYSA-N	-2	0	360.234	2.130	40	5		FEBBRL
O=C([O-])C(C(=O)c1cccc([N+](=O)[O-])c1)=C([O-])c1cccc([N+](=O)[O-])c1	ZINC000104092376	222350903	/nfs/dbraw/zinc/35/09/03/222350903.db2.gz	KLEGGXSLCVPXBS-UHFFFAOYSA-N	-2	0	358.262	2.269	40	5		FEBBRL
O=C([O-])CN1C(=O)S/C(=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1=O	ZINC000409122946	570728566	/nfs/dbraw/zinc/72/85/66/570728566.db2.gz	CZAZRQGRLXAXAB-KRXBUXKQSA-N	-2	0	358.715	2.075	40	5		FEBBRL
O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2)cc1	ZINC000223256576	548718288	/nfs/dbraw/zinc/71/82/88/548718288.db2.gz	WOLWUUMZPQHRCS-UHFFFAOYSA-N	-2	0	350.352	2.413	40	5		FEBBRL
Cc1nnc(S/C(=C\c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2[O-])C(=O)[O-])o1	ZINC000408632581	558688515	/nfs/dbraw/zinc/68/85/15/558688515.db2.gz	RNZRPRVJLMQDEX-OQFOIZHKSA-N	-2	0	368.283	2.118	40	5		FEBBRL