smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1c(-c2ccccc2)c(O)[nH]c2cccc([N+](=O)[O-])c12	ZINC000685936852	544109340	/nfs/dbraw/zinc/10/93/40/544109340.db2.gz	AVCMOZDNDXEHAF-UHFFFAOYSA-N	0	2	282.255	3.221	40	5		CGBBLN
O=C1Nc2cccc([N+](=O)[O-])c2C(=O)C1c1ccccc1	ZINC000685936852	544109342	/nfs/dbraw/zinc/10/93/42/544109342.db2.gz	AVCMOZDNDXEHAF-UHFFFAOYSA-N	0	2	282.255	3.221	40	5		CGBBLN
O=Cc1cc(Cc2ccc(Cl)cc2)cc([N+](=O)[O-])c1O	ZINC000059418626	369580835	/nfs/dbraw/zinc/58/08/35/369580835.db2.gz	VIJXSCBFDMGXLB-UHFFFAOYSA-N	0	2	291.690	3.357	40	5		CGBBLN
O=[N+]([O-])C[C@@H](c1ccccc1)C(c1ccccc1)[N+](=O)[O-]	ZINC000001577825	368420834	/nfs/dbraw/zinc/42/08/34/368420834.db2.gz	XTAICHDILDNLBZ-GJZGRUSLSA-N	0	2	286.287	3.065	40	5		CGBBLN
O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccc(Cl)cc1	ZINC000035982138	303999126	/nfs/dbraw/zinc/99/91/26/303999126.db2.gz	UNTGMXYIICQBFO-UHFFFAOYSA-N	0	2	292.678	3.206	40	5		CGBBLN
O=[N+]([O-])C[C@@H](c1ccccc1)C(c1ccccc1)[N+](=O)[O-]	ZINC000001577823	368420615	/nfs/dbraw/zinc/42/06/15/368420615.db2.gz	XTAICHDILDNLBZ-LSDHHAIUSA-N	0	2	286.287	3.065	40	5		CGBBLN
O=[N+]([O-])C[C@H](c1ccccc1)C(c1ccccc1)[N+](=O)[O-]	ZINC000001577822	368421035	/nfs/dbraw/zinc/42/10/35/368421035.db2.gz	XTAICHDILDNLBZ-HUUCEWRRSA-N	0	2	286.287	3.065	40	5		CGBBLN
CC(C)C[C@H](C)O[C@@H](C[N+](=O)[O-])C(Cl)(Cl)Cl	ZINC000001727663	368436087	/nfs/dbraw/zinc/43/60/87/368436087.db2.gz	RRPNEQZFHPPPDM-YUMQZZPRSA-N	0	2	292.590	3.453	40	5		CGBBLN
O=C1Nc2c(cccc2[N+](=O)[O-])C(=O)C1c1ccccc1	ZINC000036185266	541860500	/nfs/dbraw/zinc/86/05/00/541860500.db2.gz	XWRIMEVQDODFAZ-UHFFFAOYSA-N	0	2	282.255	3.221	40	5	in-vivo	CGBBLN
O=c1c2cccc([N+](=O)[O-])c2[nH]c(O)c1-c1ccccc1	ZINC000036185266	541860502	/nfs/dbraw/zinc/86/05/02/541860502.db2.gz	XWRIMEVQDODFAZ-UHFFFAOYSA-N	0	2	282.255	3.221	40	5	in-vivo	CGBBLN
O=[N+]([O-])C[C@H](c1ccccc1)C(c1ccccc1)[N+](=O)[O-]	ZINC000001577824	368421208	/nfs/dbraw/zinc/42/12/08/368421208.db2.gz	XTAICHDILDNLBZ-CABCVRRESA-N	0	2	286.287	3.065	40	5		CGBBLN
CC(C)C[C@H](C)O[C@H](C[N+](=O)[O-])C(Cl)(Cl)Cl	ZINC000001727665	368435452	/nfs/dbraw/zinc/43/54/52/368435452.db2.gz	RRPNEQZFHPPPDM-JGVFFNPUSA-N	0	2	292.590	3.453	40	5		CGBBLN
CC(C)C[C@@H](C)O[C@H](C[N+](=O)[O-])C(Cl)(Cl)Cl	ZINC000001727664	368436223	/nfs/dbraw/zinc/43/62/23/368436223.db2.gz	RRPNEQZFHPPPDM-HTQZYQBOSA-N	0	2	292.590	3.453	40	5		CGBBLN
CC(C)C[C@@H](C)O[C@@H](C[N+](=O)[O-])C(Cl)(Cl)Cl	ZINC000001727662	368435299	/nfs/dbraw/zinc/43/52/99/368435299.db2.gz	RRPNEQZFHPPPDM-SFYZADRCSA-N	0	2	292.590	3.453	40	5		CGBBLN
O=c1c2cc([N+](=O)[O-])ccc2[nH]c(O)c1-c1ccccc1	ZINC000036185238	369013857	/nfs/dbraw/zinc/01/38/57/369013857.db2.gz	FHJYCGCXAYLWFD-UHFFFAOYSA-N	0	2	282.255	3.221	40	5	in-vivo	CGBBLN
O=C1Nc2ccc([N+](=O)[O-])cc2C(=O)C1c1ccccc1	ZINC000036185238	369013867	/nfs/dbraw/zinc/01/38/67/369013867.db2.gz	FHJYCGCXAYLWFD-UHFFFAOYSA-N	0	2	282.255	3.221	40	5	in-vivo	CGBBLN