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(c2cc(N3CC[NH+](CCO)CC3)ccc2[N+](=O)[O-])CC1	ZINC000004007572	435978518	/nfs/dbraw/zinc/97/85/18/435978518.db2.gz	UQACIWMQULLVIL-UHFFFAOYSA-N	2	2	349.435	0.461	50	5		ECBALP
O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCC[NH+]2CCOCC2)c1	ZINC000007063756	436008192	/nfs/dbraw/zinc/00/81/92/436008192.db2.gz	BBYITZPPXHMGTA-OAHLLOKOSA-N	2	2	339.392	0.646	50	5		ECBALP
O=[N+]([O-])c1ccc(N2CC[NH2+]CC2)cc1NCC[NH+]1CCOCC1	ZINC000004687525	435979716	/nfs/dbraw/zinc/97/97/16/435979716.db2.gz	RBIHLMCEGURXBK-UHFFFAOYSA-N	2	2	335.408	0.749	50	5		ECBALP
O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CCC[NH+]2CCOCC2)c1	ZINC000007063760	436008087	/nfs/dbraw/zinc/00/80/87/436008087.db2.gz	BBYITZPPXHMGTA-HNNXBMFYSA-N	2	2	339.392	0.646	50	5		ECBALP
CN(C)c1nc(N2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)cc[nH+]1	ZINC000089326975	436408480	/nfs/dbraw/zinc/40/84/80/436408480.db2.gz	KOXCUPLFVXYPOF-UHFFFAOYSA-N	2	2	346.395	0.470	50	5		ECBALP