smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[NH2+]=C1Sc2cc(-c3cccc([N+](=O)[O-])c3)ccc2C2=NCCCN12	ZINC000095575577	203761761	/nfs/dbraw/zinc/76/17/61/203761761.db2.gz	ZPYLZYANYQLWTN-UHFFFAOYSA-N	1	2	338.392	3.755	1	5		EHBFLO
O=c1c2ccccc2oc2ccc3[nH]c(C[NH+]4CCCCC4)nc3c21	ZINC000029057187	202180137	/nfs/dbraw/zinc/18/01/37/202180137.db2.gz	LHEZRQRDFWTUQH-UHFFFAOYSA-N	1	2	333.391	3.808	1	5		EHBFLO
O=c1c2ccccc2oc(-c2ccc([N+](=O)[O-])cc2)c1Cn1cc[nH+]c1	ZINC000036088221	213061427	/nfs/dbraw/zinc/06/14/27/213061427.db2.gz	QRPSGPSYOIPDIF-UHFFFAOYSA-N	1	2	347.330	3.613	1	5	in-vivo	EHBFLO
O=c1cc(-c2ccc([N+](=O)[O-])cc2)oc2ccc(Cn3cc[nH+]c3)cc12	ZINC000103170623	219265433	/nfs/dbraw/zinc/26/54/33/219265433.db2.gz	YEOKXXZNOHPZMP-UHFFFAOYSA-N	1	2	347.330	3.613	1	5		EHBFLO
O=[N+]([O-])c1ccc(O[C@H](Cn2cc[nH+]c2)c2ccccc2)c(F)c1	ZINC000049808654	214033719	/nfs/dbraw/zinc/03/37/19/214033719.db2.gz	TWHAUCTUEVXNJB-QGZVFWFLSA-N	1	2	327.315	3.751	1	5		EHBFLO
O=[N+]([O-])c1ccc(O[C@@H](Cn2cc[nH+]c2)c2ccccc2)c(F)c1	ZINC000049808655	214034461	/nfs/dbraw/zinc/03/44/61/214034461.db2.gz	TWHAUCTUEVXNJB-KRWDZBQOSA-N	1	2	327.315	3.751	1	5		EHBFLO
O=[N+]([O-])c1ccc(O[C@H]2CCc3ccccc3[C@@H]2n2cc[nH+]c2)cc1	ZINC000066098944	215009886	/nfs/dbraw/zinc/00/98/86/215009886.db2.gz	FLWRTGZVRBJUOK-OALUTQOASA-N	1	2	335.363	3.775	1	5		EHBFLO
c1cnc(N2CCN(c3[nH+]c4ccccc4c4ccccc43)CC2)nc1	ZINC000103264601	219279006	/nfs/dbraw/zinc/27/90/06/219279006.db2.gz	YFWMJZPRKNMTER-UHFFFAOYSA-N	1	2	341.418	3.505	1	5		EHBFLO