smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[NH3+]C1CC[NH+]([C@@H]2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)CC1	ZINC000170662888	488814901	/nfs/dbraw/zinc/81/49/01/488814901.db2.gz	VSYVZWDVPMUYPX-CQSZACIVSA-N	2	2	354.432	0.781	50	5		FCBALP
[NH3+]C1CC[NH+]([C@H]2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)CC1	ZINC000170662885	488814824	/nfs/dbraw/zinc/81/48/24/488814824.db2.gz	VSYVZWDVPMUYPX-AWEZNQCLSA-N	2	2	354.432	0.781	50	5		FCBALP
O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCN(c3[nH]c4ccccc4[nH+]3)CC2)c1	ZINC000095454662	209052521	/nfs/dbraw/zinc/05/25/21/209052521.db2.gz	WYFQSWWQMZSIDA-AWEZNQCLSA-N	2	2	371.401	0.851	50	5		FCBALP
O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCN(c3[nH]c4ccccc4[nH+]3)CC2)c1	ZINC000095454663	488483937	/nfs/dbraw/zinc/48/39/37/488483937.db2.gz	WYFQSWWQMZSIDA-CQSZACIVSA-N	2	2	371.401	0.851	50	5		FCBALP
C[NH+](C)CCNS(=O)(=O)c1ccc(N2CC[NH+](C)CC2)c([N+](=O)[O-])c1	ZINC000013074142	487561820	/nfs/dbraw/zinc/56/18/20/487561820.db2.gz	LNEJXSIHULKALJ-UHFFFAOYSA-N	2	2	371.463	0.187	50	5		FCBALP