smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)c1c[n-]nn1	ZINC000186016175	387494230	/nfs/dbraw/zinc/49/42/30/387494230.db2.gz	HNSWKQKMNCCWMH-UHFFFAOYSA-N	-2	3	249.186	0.671	20	5		BCBDHL
O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)c1cnn[n-]1	ZINC000186016175	387494235	/nfs/dbraw/zinc/49/42/35/387494235.db2.gz	HNSWKQKMNCCWMH-UHFFFAOYSA-N	-2	3	249.186	0.671	20	5		BCBDHL
O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)c1cn[n-]n1	ZINC000186016175	387494237	/nfs/dbraw/zinc/49/42/37/387494237.db2.gz	HNSWKQKMNCCWMH-UHFFFAOYSA-N	-2	3	249.186	0.671	20	5		BCBDHL
O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)c1nc[n-]n1	ZINC000361656272	182359354	/nfs/dbraw/zinc/35/93/54/182359354.db2.gz	RWTYFZKEZGYRHT-UHFFFAOYSA-N	-2	3	249.186	0.671	20	5		BCBDHL
CCCO[N-]C(=O)c1cc([N+](=O)[O-])c[n-]c1=O	ZINC000844150539	588170556	/nfs/dbraw/zinc/17/05/56/588170556.db2.gz	OUXOJPQKSWEGIB-UHFFFAOYSA-N	-2	3	241.203	0.767	20	5		BCBDHL
CC(C)O[N-]C(=O)c1cc([N+](=O)[O-])c[n-]c1=O	ZINC000293829546	167278740	/nfs/dbraw/zinc/27/87/40/167278740.db2.gz	BGOJJMQCVHTJAZ-UHFFFAOYSA-N	-2	3	241.203	0.765	20	5		BCBDHL
O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1nc[n-]n1	ZINC000221010279	582821632	/nfs/dbraw/zinc/82/16/32/582821632.db2.gz	ZKQIHSKCHWSUKU-UHFFFAOYSA-N	-2	3	249.186	0.671	20	5		BCBDHL
O=C([N-]c1nc[nH]n1)c1cc([O-])ccc1[N+](=O)[O-]	ZINC000431894178	384461414	/nfs/dbraw/zinc/46/14/14/384461414.db2.gz	NLBYVLWLZVGTGT-UHFFFAOYSA-N	-2	3	249.186	0.671	20	5		BCBDHL