smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)CN1CCc2cc([N+](=O)[O-])ccc2C1	ZINC000218744644	353150730	/nfs/dbraw/zinc/15/07/30/353150730.db2.gz	IEMNONPCVACGBV-UHFFFAOYSA-N	0	3	234.299	2.609	40	5		BFBBHN
O=[N+]([O-])c1ccc(CNCc2cccs2)cc1	ZINC000016430651	358163531	/nfs/dbraw/zinc/16/35/31/358163531.db2.gz	ZLUOHGFUSMSYAG-UHFFFAOYSA-N	0	3	248.307	2.946	40	5		BFBBHN
N[C@H]1c2ccccc2-c2ccc([N+](=O)[O-])cc21	ZINC000005742718	347245337	/nfs/dbraw/zinc/24/53/37/347245337.db2.gz	RZQUQYGHXCHOPI-ZDUSSCGKSA-N	0	3	226.235	2.623	40	5		BFBBHN
N[C@@H]1c2ccccc2-c2ccc([N+](=O)[O-])cc21	ZINC000001599688	356983626	/nfs/dbraw/zinc/98/36/26/356983626.db2.gz	RZQUQYGHXCHOPI-CYBMUJFWSA-N	0	3	226.235	2.623	40	5		BFBBHN
NCc1ccccc1Oc1ccc([N+](=O)[O-])cc1	ZINC000038080313	343940916	/nfs/dbraw/zinc/94/09/16/343940916.db2.gz	HKJGBEUGLWZKMA-UHFFFAOYSA-N	0	3	244.250	2.846	40	5		BFBBHN
O=[N+]([O-])C1CC=CC[C@@H]1C(Cl)(Cl)Cl	ZINC000001727205	357180833	/nfs/dbraw/zinc/18/08/33/357180833.db2.gz	RGOMRHNULLJWNT-WDSKDSINSA-N	0	3	244.505	2.968	40	5		BFBBHN
O=[N+]([O-])C1CC=CC[C@@H]1C(Cl)(Cl)Cl	ZINC000001727203	357180743	/nfs/dbraw/zinc/18/07/43/357180743.db2.gz	RGOMRHNULLJWNT-NTSWFWBYSA-N	0	3	244.505	2.968	40	5		BFBBHN
O=[N+]([O-])C1CC=CC[C@H]1C(Cl)(Cl)Cl	ZINC000001727206	357180502	/nfs/dbraw/zinc/18/05/02/357180502.db2.gz	RGOMRHNULLJWNT-RITPCOANSA-N	0	3	244.505	2.968	40	5		BFBBHN
O=[N+]([O-])C1CC=CC[C@H]1C(Cl)(Cl)Cl	ZINC000001727204	357180152	/nfs/dbraw/zinc/18/01/52/357180152.db2.gz	RGOMRHNULLJWNT-PHDIDXHHSA-N	0	3	244.505	2.968	40	5		BFBBHN