smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc([N+](=O)[O-])ccc1-c1ccc(-c2nc3ccc(Cl)cc3[nH]2)o1	ZINC000085345433	571274762	/nfs/dbraw/zinc/27/47/62/571274762.db2.gz	YYGOCVUPEIQEJA-UHFFFAOYSA-N	0	1	353.765	5.360	10	5		FKBEMN
COc1cc([N+](=O)[O-])ccc1-c1ccc(-c2nc3cc(C)cc(C)c3[nH]2)o1	ZINC000085345454	571274794	/nfs/dbraw/zinc/27/47/94/571274794.db2.gz	CLDMPKYGABZCAJ-UHFFFAOYSA-N	0	1	363.373	5.024	10	5		FKBEMN
COc1cc([N+](=O)[O-])ccc1-c1ccc(-c2nc3ccc(Cl)cc3[nH]2)o1	ZINC000085345458	571274741	/nfs/dbraw/zinc/27/47/41/571274741.db2.gz	HOYVKSOEPCOUCD-UHFFFAOYSA-N	0	1	369.764	5.060	10	5		FKBEMN
Cc1ccc(-c2ccc(-c3nc4ccc(Cl)cc4[nH]3)o2)c([N+](=O)[O-])c1	ZINC000085345460	571274731	/nfs/dbraw/zinc/27/47/31/571274731.db2.gz	WTEZVQNDCSZFPM-UHFFFAOYSA-N	0	1	353.765	5.360	10	5		FKBEMN
COc1ccc(-c2ccc(-c3nc4cc(C)cc(C)c4[nH]3)o2)c([N+](=O)[O-])c1	ZINC000085345476	571274708	/nfs/dbraw/zinc/27/47/08/571274708.db2.gz	XZSQRIFNWLPAEG-UHFFFAOYSA-N	0	1	363.373	5.024	10	5		FKBEMN
COc1ccc(-c2ccc(-c3nc4ccc(Cl)cc4[nH]3)o2)c([N+](=O)[O-])c1	ZINC000085345479	571274712	/nfs/dbraw/zinc/27/47/12/571274712.db2.gz	XHSWQUSJCRVABZ-UHFFFAOYSA-N	0	1	369.764	5.060	10	5		FKBEMN
Cc1ccc([N+](=O)[O-])cc1-c1ccc(-c2nc3ccc(Cl)cc3[nH]2)o1	ZINC000085345496	571274734	/nfs/dbraw/zinc/27/47/34/571274734.db2.gz	JPHBVDNRJQYMNC-UHFFFAOYSA-N	0	1	353.765	5.360	10	5		FKBEMN
COc1ccc([N+](=O)[O-])cc1-c1ccc(-c2nc3ccc(Cl)cc3[nH]2)o1	ZINC000085345499	571274721	/nfs/dbraw/zinc/27/47/21/571274721.db2.gz	TWUBXLLNIUBDAX-UHFFFAOYSA-N	0	1	369.764	5.060	10	5		FKBEMN
COc1ccc([N+](=O)[O-])cc1-c1ccc(-c2nc3cc(C)cc(C)c3[nH]2)o1	ZINC000085345510	205167843	/nfs/dbraw/zinc/16/78/43/205167843.db2.gz	NDCCLDJJWGGKLY-UHFFFAOYSA-N	0	1	363.373	5.024	10	5		FKBEMN
Cc1ccc(-c2ccc(-c3nc4ccc(Cl)cc4[nH]3)o2)cc1[N+](=O)[O-]	ZINC000085345522	571274759	/nfs/dbraw/zinc/27/47/59/571274759.db2.gz	SXXKAPIBTPAKLW-UHFFFAOYSA-N	0	1	353.765	5.360	10	5		FKBEMN
COc1ccc(-c2ccc(-c3nc4ccc(Cl)cc4[nH]3)o2)cc1[N+](=O)[O-]	ZINC000085345525	571274716	/nfs/dbraw/zinc/27/47/16/571274716.db2.gz	ASYJEPQMNFUQLV-UHFFFAOYSA-N	0	1	369.764	5.060	10	5		FKBEMN
COc1ccc(-c2ccc(-c3nc4cc(C)cc(C)c4[nH]3)o2)cc1[N+](=O)[O-]	ZINC000085345531	571274698	/nfs/dbraw/zinc/27/46/98/571274698.db2.gz	ZTSUZBSLHMTJOJ-UHFFFAOYSA-N	0	1	363.373	5.024	10	5		FKBEMN