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(C(F)(F)F)cc1[N+](=O)[O-])C(O)=C1NC(=S)[N-]C1=O	ZINC000102969231	530365615	/nfs/dbraw/zinc/36/56/15/530365615.db2.gz	PUUCYBHJCJWIQX-SSDOTTSWSA-N	-1	1	376.272	0.494	40	5		GCBBMM
C[C@H]1O[C@@H](C)CN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)[N-]C(=O)N(C)C3=O)[C@H]12	ZINC000102777962	136190369	/nfs/dbraw/zinc/19/03/69/136190369.db2.gz	FQYREZYGRNGXNE-ZMIKFJDLSA-N	-1	1	388.380	0.828	40	5		GCBBMM
O=c1[n-]/c(=C\c2ccc([N+](=O)[O-])cc2)c(=O)[nH]/c1=C/c1ccc([N+](=O)[O-])cc1	ZINC000005513171	570621454	/nfs/dbraw/zinc/62/14/54/570621454.db2.gz	LOSNRJCFOKIHOY-CKOAPEAFSA-N	-1	1	380.316	0.537	40	5		GCBBMM
C[C@H]1CN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)[N-]C(=O)N(C)C3=O)[C@@H]2[C@H](C)O1	ZINC000009009864	1199258010	/nfs/dbraw/zinc/25/80/10/1199258010.db2.gz	FQYREZYGRNGXNE-XZWPALENSA-N	-1	1	388.380	0.828	40	5		GCBBMM
O=C(Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(O)=C1NC(=S)[N-]C1=O	ZINC000102969234	530365649	/nfs/dbraw/zinc/36/56/49/530365649.db2.gz	PUUCYBHJCJWIQX-ZETCQYMHSA-N	-1	1	376.272	0.494	40	5		GCBBMM