smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+]1CCN(CCNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2C2CC[NH2+]CC2)CC1	ZINC000020575055	523903176	/nfs/dbraw/zinc/90/31/76/523903176.db2.gz	GAUKRVWTMVWBLX-UHFFFAOYSA-N	2	0	441.536	1.225	50	5		IDBARP
C[C@@H]1CCCN(S(=O)(=O)c2ccc(N(CC[NH+](C)C)CC[NH+](C)C)c([N+](=O)[O-])c2)C1	ZINC000072312230	569582795	/nfs/dbraw/zinc/58/27/95/569582795.db2.gz	CNPHFDBUCUWTPQ-QGZVFWFLSA-N	2	0	441.598	1.945	50	5		IDBARP
C[N+]1(CCOC(=O)CCCCCCCC(=O)OCC[N+]2(C)CCOCC2)CCOCC1	ZINC000100669170	556642322	/nfs/dbraw/zinc/64/23/22/556642322.db2.gz	WSVBIBGPZCAJCJ-UHFFFAOYSA-N	2	0	444.613	1.757	50	5		IDBARP
C[C@H]1CCCN(S(=O)(=O)c2ccc(N(CC[NH+](C)C)CC[NH+](C)C)c([N+](=O)[O-])c2)C1	ZINC000072312231	556686825	/nfs/dbraw/zinc/68/68/25/556686825.db2.gz	CNPHFDBUCUWTPQ-KRWDZBQOSA-N	2	0	441.598	1.945	50	5		IDBARP