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(Sc1nc2ccc([N+](=O)[O-])cc2[n-]1)c1ccc2ccccc2c1	ZINC000409392877	563994504	/nfs/dbraw/zinc/99/45/04/563994504.db2.gz	SSKIEUXQJVFPIZ-UHFFFAOYSA-N	-1	3	349.371	4.557	40	5		EJBBHM
O=C(Sc1nc2cc([N+](=O)[O-])ccc2[n-]1)c1ccc2ccccc2c1	ZINC000409392877	563994505	/nfs/dbraw/zinc/99/45/05/563994505.db2.gz	SSKIEUXQJVFPIZ-UHFFFAOYSA-N	-1	3	349.371	4.557	40	5		EJBBHM
CCSc1ccccc1[N-]C(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000044900324	564027555	/nfs/dbraw/zinc/02/75/55/564027555.db2.gz	YBHVRNLHVOVYLN-UHFFFAOYSA-N	-1	3	336.800	4.613	40	5		EJBBHM
[O-]n1c2c(c3ccccc3c3ccccc23)[n+]([O-])c1-c1cccs1	ZINC000006476551	210638432	/nfs/dbraw/zinc/63/84/32/210638432.db2.gz	FXMBUIHCDDPRNL-UHFFFAOYSA-N	-1	3	332.384	4.547	40	5		EJBBHM
CC[C@H](C)c1ccc([O-])c(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1	ZINC000005656606	564006984	/nfs/dbraw/zinc/00/69/84/564006984.db2.gz	QPWFFCUJRRBXGK-JTQLQIEISA-N	-1	3	348.786	4.720	40	5		EJBBHM
CC[C@@H](C)c1ccc([O-])c(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1	ZINC000005655477	564007007	/nfs/dbraw/zinc/00/70/07/564007007.db2.gz	QPWFFCUJRRBXGK-SNVBAGLBSA-N	-1	3	348.786	4.720	40	5		EJBBHM
O=[N+]([O-])c1c2cc([O-])ccc2n(-c2ccccc2)c1Nc1ccccc1	ZINC000005486645	564004603	/nfs/dbraw/zinc/00/46/03/564004603.db2.gz	QPHFLDSYJWHBBB-UHFFFAOYSA-N	-1	3	345.358	4.988	40	5		EJBBHM
CCSc1ccccc1[N-]C(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000030757325	564157631	/nfs/dbraw/zinc/15/76/31/564157631.db2.gz	VNGFZHGIAHVEON-UHFFFAOYSA-N	-1	3	336.800	4.613	40	5		EJBBHM
O=C(Sc1nc2ccc([N+](=O)[O-])cc2[n-]1)c1cccc2ccccc21	ZINC000409392853	564012003	/nfs/dbraw/zinc/01/20/03/564012003.db2.gz	SNRSAATWUVKUHZ-UHFFFAOYSA-N	-1	3	349.371	4.557	40	5		EJBBHM
O=C(Sc1nc2cc([N+](=O)[O-])ccc2[n-]1)c1cccc2ccccc21	ZINC000409392853	564012004	/nfs/dbraw/zinc/01/20/04/564012004.db2.gz	SNRSAATWUVKUHZ-UHFFFAOYSA-N	-1	3	349.371	4.557	40	5		EJBBHM