smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1Nc2ccccc2[C@]12[C@@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]1[C@H]1CCC[N@H+]12	ZINC000016012246	569025562	/nfs/dbraw/zinc/02/55/62/569025562.db2.gz	WMOIDSVFHDUYQF-QLDGJZPUSA-N	1	1	418.409	2.026	40	5		HEBBMO
O=C1Nc2ccccc2[C@]12[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]1[C@H]1CCC[N@H+]12	ZINC000015223795	568819083	/nfs/dbraw/zinc/81/90/83/568819083.db2.gz	PTAAMSSDVVNNBX-QLDGJZPUSA-N	1	1	418.409	2.026	40	5		HEBBMO
C[C@@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000004981473	559223842	/nfs/dbraw/zinc/22/38/42/559223842.db2.gz	BOQNALBMIRWPLB-BEFAXECRSA-N	1	1	402.495	2.484	40	5		HEBBMO
C[C@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000004981475	559223810	/nfs/dbraw/zinc/22/38/10/559223810.db2.gz	BOQNALBMIRWPLB-KXBFYZLASA-N	1	1	402.495	2.484	40	5		HEBBMO
COc1cc(OCC(=O)NCc2cccc(C[NH+]3CCOCC3)c2)ccc1[N+](=O)[O-]	ZINC000224743256	569286771	/nfs/dbraw/zinc/28/67/71/569286771.db2.gz	HPONOAOYDQLXTB-UHFFFAOYSA-N	1	1	415.446	2.131	40	5		HEBBMO
NC(=O)/C=C\c1cc([N+](=O)[O-])ccc1N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1	ZINC000409021627	559239084	/nfs/dbraw/zinc/23/90/84/559239084.db2.gz	QUUVTCZWSXVDKL-KXFIGUGUSA-N	1	1	410.430	2.144	40	5		HEBBMO
O=C1Nc2ccccc2[C@@]12[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]1[C@H]1CCC[N@H+]12	ZINC000103518165	560842839	/nfs/dbraw/zinc/84/28/39/560842839.db2.gz	PTAAMSSDVVNNBX-QSNWEANLSA-N	1	1	418.409	2.026	40	5		HEBBMO
O=C1Nc2ccccc2[C@@]12[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]1[C@H]1CCC[N@H+]12	ZINC000033875733	559275427	/nfs/dbraw/zinc/27/54/27/559275427.db2.gz	PTAAMSSDVVNNBX-OZQHCQBDSA-N	1	1	418.409	2.026	40	5		HEBBMO
C[C@H]1CCCC[C@H]1NC(=O)C[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000004981478	559223788	/nfs/dbraw/zinc/22/37/88/559223788.db2.gz	BOQNALBMIRWPLB-HNAYVOBHSA-N	1	1	402.495	2.484	40	5		HEBBMO
NC(=O)/C=C/c1cc([N+](=O)[O-])ccc1N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1	ZINC000059488611	568956419	/nfs/dbraw/zinc/95/64/19/568956419.db2.gz	QUUVTCZWSXVDKL-QHHAFSJGSA-N	1	1	410.430	2.144	40	5		HEBBMO
COc1cc(OCC(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)ccc1[N+](=O)[O-]	ZINC000224576340	569072070	/nfs/dbraw/zinc/07/20/70/569072070.db2.gz	MTGHOIJKSZIAME-UHFFFAOYSA-N	1	1	415.446	2.131	40	5		HEBBMO
C[C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000004981477	559223847	/nfs/dbraw/zinc/22/38/47/559223847.db2.gz	BOQNALBMIRWPLB-DNVCBOLYSA-N	1	1	402.495	2.484	40	5		HEBBMO
O=C(Nc1ccccc1C(=O)NCCC[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1	ZINC000038302637	568985477	/nfs/dbraw/zinc/98/54/77/568985477.db2.gz	SWYQUFPWYBDZLR-UHFFFAOYSA-N	1	1	412.446	2.299	40	5		HEBBMO
CC[NH+](CC)CCNC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000035191286	569005099	/nfs/dbraw/zinc/00/50/99/569005099.db2.gz	UAWZXTCUDVFEMB-UHFFFAOYSA-N	1	1	420.491	2.467	40	5		HEBBMO
O=C1Nc2ccccc2[C@]12[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]1[C@H]1CCC[N@H+]12	ZINC000103518163	560842809	/nfs/dbraw/zinc/84/28/09/560842809.db2.gz	PTAAMSSDVVNNBX-IDVKNYFZSA-N	1	1	418.409	2.026	40	5		HEBBMO