smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOC(=O)c1[n-]c([O-])nc(=O)c1[N+](=O)[O-]	ZINC000001043127	170307084	/nfs/dbraw/zinc/30/70/84/170307084.db2.gz	DAZDARINDDLSLS-UHFFFAOYSA-N	-2	0	229.148	-0.440	50	5		BBBARL
Cn1nc(C(=O)[O-])c([N+](=O)[O-])c1C(=O)[O-]	ZINC000001238569	386596267	/nfs/dbraw/zinc/59/62/67/386596267.db2.gz	MJLKEYGTMZKPAL-UHFFFAOYSA-N	-2	0	215.121	-0.275	50	5		BBBARL
O=C([O-])c1n[nH]c(C(=O)[O-])c1[N+](=O)[O-]	ZINC000001295917	386314599	/nfs/dbraw/zinc/31/45/99/386314599.db2.gz	DEGBMJMGROCSHR-UHFFFAOYSA-N	-2	0	201.094	-0.286	50	5		BBBARL
COC(=O)c1[n-]c([O-])nc(=O)c1[N+](=O)[O-]	ZINC000001675970	357105842	/nfs/dbraw/zinc/10/58/42/357105842.db2.gz	KPNLMRWITBJHTK-UHFFFAOYSA-N	-2	0	215.121	-0.830	50	5		BBBARL
Cn1[n-]c([N+](=O)[O-])c2c(=O)c(C(=O)[O-])cnc1-2	ZINC000003852482	398327080	/nfs/dbraw/zinc/32/70/80/398327080.db2.gz	QTCBIQXAWOYCHN-UHFFFAOYSA-N	-2	0	238.159	-0.132	50	5		BBBARL
O=C([O-])Cn1nc([N+](=O)[O-])cc1C(=O)[O-]	ZINC000004294503	388398458	/nfs/dbraw/zinc/39/84/58/388398458.db2.gz	QGLGRVCKAUOUKV-UHFFFAOYSA-N	-2	0	215.121	-0.426	50	5		BBBARL
O=C([O-])c1c[nH]c(=O)c([N+](=O)[O-])c1[O-]	ZINC000004339082	342746909	/nfs/dbraw/zinc/74/69/09/342746909.db2.gz	QJWDJGWGMBFKGA-UHFFFAOYSA-N	-2	0	200.106	-0.313	50	5		BBBARL