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-])c21	ZINC000685936852	544109338	/nfs/dbraw/zinc/10/93/38/544109338.db2.gz	AVCMOZDNDXEHAF-UHFFFAOYSA-N	-1	1	282.255	3.221	40	5		CGBBMM
Cc1noc(/C=C\c2ccc([O-])c(Cl)c2)c1[N+](=O)[O-]	ZINC000408544895	380018018	/nfs/dbraw/zinc/01/80/18/380018018.db2.gz	VXHNCDUJEBOYNB-HYXAFXHYSA-N	-1	1	280.667	3.421	40	5		CGBBMM
CC[N-]C(=S)Oc1cc([N+](=O)[O-])c(Cl)cc1Cl	ZINC000255190055	567110798	/nfs/dbraw/zinc/11/07/98/567110798.db2.gz	URSVSSGXXJUWOU-UHFFFAOYSA-N	-1	1	295.147	3.175	40	5		CGBBMM
O=[N+]([O-])c1ccc([O-])c(N2CCCC[C@@H]2c2cccnc2)c1	ZINC000020459223	368807457	/nfs/dbraw/zinc/80/74/57/368807457.db2.gz	KEBCOEVFHDSRPO-CQSZACIVSA-N	-1	1	299.330	3.427	40	5		CGBBMM
O=c1c2cccc([N+](=O)[O-])c2[nH]c([O-])c1-c1ccccc1	ZINC000036185266	541860497	/nfs/dbraw/zinc/86/04/97/541860497.db2.gz	XWRIMEVQDODFAZ-UHFFFAOYSA-N	-1	1	282.255	3.221	40	5	in-vivo	CGBBMM
COc1cccc(-c2cc3c(cc([N+](=O)[O-])cc3[O-])[nH]2)c1	ZINC000066089371	369688271	/nfs/dbraw/zinc/68/82/71/369688271.db2.gz	NGHCTLFOUHXQQP-UHFFFAOYSA-N	-1	1	284.271	3.457	40	5		CGBBMM
O=[N+]([O-])c1ccc([O-])c(N2CCCC[C@H]2c2cccnc2)c1	ZINC000020459225	368807370	/nfs/dbraw/zinc/80/73/70/368807370.db2.gz	KEBCOEVFHDSRPO-AWEZNQCLSA-N	-1	1	299.330	3.427	40	5		CGBBMM
O=c1c2cc([N+](=O)[O-])ccc2[nH]c([O-])c1-c1ccccc1	ZINC000036185238	369013849	/nfs/dbraw/zinc/01/38/49/369013849.db2.gz	FHJYCGCXAYLWFD-UHFFFAOYSA-N	-1	1	282.255	3.221	40	5	in-vivo	CGBBMM
O=c1oc2ccc([O-])c(-c3cccc([N+](=O)[O-])c3)c2s1	ZINC000026687747	285228642	/nfs/dbraw/zinc/22/86/42/285228642.db2.gz	INSXTOSHGJQEIO-UHFFFAOYSA-N	-1	1	289.268	3.135	40	5		CGBBMM