smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1cc([N+](=O)[O-])c(N2CC[NH+](CCO)CC2)cc1N1CCN(CCO)CC1	ZINC000033447240	559193521	/nfs/dbraw/zinc/19/35/21/559193521.db2.gz	XKFDCOXBOSLLBY-UHFFFAOYSA-N	1	2	424.458	-0.268	40	5		HBBBLO
COc1ccc([N+](=O)[O-])cc1N(CC(=O)NCC[NH+]1CCOCC1)S(C)(=O)=O	ZINC000408615933	557542335	/nfs/dbraw/zinc/54/23/35/557542335.db2.gz	UOSYISJOMVOKOM-UHFFFAOYSA-N	1	2	416.456	-0.182	40	5		HBBBLO
O=[N+]([O-])c1ccc(CN2[C@@H]3CS(=O)(=O)C[C@@H]3[NH2+][C@H]3CS(=O)(=O)C[C@H]32)cc1	ZINC000575423688	569026379	/nfs/dbraw/zinc/02/63/79/569026379.db2.gz	PXAKOGUITIFNPV-BYNSBNAKSA-N	1	2	401.466	-0.669	40	5		HBBBLO
O=[N+]([O-])c1ccc(CN2[C@@H]3CS(=O)(=O)C[C@@H]3[NH2+][C@@H]3CS(=O)(=O)C[C@H]32)cc1	ZINC000575423695	569026407	/nfs/dbraw/zinc/02/64/07/569026407.db2.gz	PXAKOGUITIFNPV-LXTVHRRPSA-N	1	2	401.466	-0.669	40	5		HBBBLO
O=[N+]([O-])c1ccc(CN2[C@H]3CS(=O)(=O)C[C@H]3[NH2+][C@H]3CS(=O)(=O)C[C@H]32)cc1	ZINC000575423697	569026359	/nfs/dbraw/zinc/02/63/59/569026359.db2.gz	PXAKOGUITIFNPV-PYHGIMPFSA-N	1	2	401.466	-0.669	40	5		HBBBLO
O=[N+]([O-])c1ccc(CN2[C@H]3CS(=O)(=O)C[C@@H]3[NH2+][C@H]3CS(=O)(=O)C[C@H]32)cc1	ZINC000575423699	569026354	/nfs/dbraw/zinc/02/63/54/569026354.db2.gz	PXAKOGUITIFNPV-ZQDZILKHSA-N	1	2	401.466	-0.669	40	5		HBBBLO