smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1c([N+](=O)[O-])cccc1-n1[n-]c(C(=O)[O-])cc1=O	ZINC000217702825	375712037	/nfs/dbraw/zinc/71/20/37/375712037.db2.gz	YUJXMCXTIFLFJU-UHFFFAOYSA-N	-2	1	263.209	1.493	40	5		CDBBML
O=c1[n-]c(C=Cc2cccc(F)c2)nc([O-])c1[N+](=O)[O-]	ZINC000009234793	170368045	/nfs/dbraw/zinc/36/80/45/170368045.db2.gz	XRZBOMUSLBFFEE-SNAWJCMRSA-N	-2	1	277.211	1.693	40	5		CDBBML
Cc1ccc([N+](=O)[O-])cc1-n1[n-]c(C(=O)[O-])cc1=O	ZINC000217699940	377309687	/nfs/dbraw/zinc/30/96/87/377309687.db2.gz	BWIKOVUTQRYPHK-UHFFFAOYSA-N	-2	1	263.209	1.493	40	5		CDBBML
CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])c([O-])cc2[O-])C1=O	ZINC000408812797	289856051	/nfs/dbraw/zinc/85/60/51/289856051.db2.gz	BWVCHXTUUKKDTA-OQFOIZHKSA-N	-2	1	296.260	1.672	40	5		CDBBML
O=[N+]([O-])c1ccc2cc([O-])cc(S(=O)(=O)[O-])c2c1	ZINC000003844816	304804799	/nfs/dbraw/zinc/80/47/99/304804799.db2.gz	ZLQRTXWMPHELNM-UHFFFAOYSA-N	-2	1	269.234	1.700	40	5		CDBBML
O=c1[n-]c(C=Cc2ccccc2F)nc([O-])c1[N+](=O)[O-]	ZINC000009010299	170361281	/nfs/dbraw/zinc/36/12/81/170361281.db2.gz	NDIQFNZVXOWNTG-WAYWQWQTSA-N	-2	1	277.211	1.693	40	5		CDBBML
CCOC(=O)NC(=S)[N-]c1cc([N+](=O)[O-])ccc1[O-]	ZINC000036712365	362844818	/nfs/dbraw/zinc/84/48/18/362844818.db2.gz	DFDSFNPWZMDNOR-UHFFFAOYSA-N	-2	1	285.281	1.743	40	5		CDBBML
O=C([O-])c1cc([N+](=O)[O-])ccc1Sc1nccc(=O)[n-]1	ZINC000016385744	262025103	/nfs/dbraw/zinc/02/51/03/262025103.db2.gz	YFETXCPOAPMYFE-UHFFFAOYSA-N	-2	1	293.260	1.940	40	5		CDBBML
O=C1[N-]C(=O)C(=Cc2cccc([N+](=O)[O-])c2[O-])S1	ZINC000003029911	375511572	/nfs/dbraw/zinc/51/15/72/375511572.db2.gz	XGYPLQYDIPBIBU-QPJJXVBHSA-N	-2	1	266.234	1.624	40	5		CDBBML
O=C([O-])c1ccc(Sc2nccc(=O)[n-]2)c([N+](=O)[O-])c1	ZINC000016384563	262024876	/nfs/dbraw/zinc/02/48/76/262024876.db2.gz	XHGIZJVQLDSDGQ-UHFFFAOYSA-N	-2	1	293.260	1.940	40	5		CDBBML