smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N+](C)(CCCCC(C#N)(c1ccccc1)c1ccccc1)CC[N+]1(C)CCOCC1	ZINC000004217257	557529435	/nfs/dbraw/zinc/52/94/35/557529435.db2.gz	GKPFBMQXTRZTOW-UHFFFAOYSA-N	2	0	421.629	4.220	40	30	in-man	HIEBRP
Oc1ccccc1C[NH2+]CC[C@@H](S)CC[C@H](S)CC[NH2+]Cc1ccccc1O	ZINC000004706512	557585191	/nfs/dbraw/zinc/58/51/91/557585191.db2.gz	IGTKLUJOZGTRLI-PMACEKPBSA-N	2	0	420.644	4.134	40	30		HIEBRP
Cc1cccc[n+]1CC(=O)c1ccc(-c2ccc(C(=O)C[n+]3ccccc3C)cc2)cc1	ZINC000001556031	525001699	/nfs/dbraw/zinc/00/16/99/525001699.db2.gz	FXUZVZQXGRCAKC-UHFFFAOYSA-N	2	0	422.528	4.311	40	30		HIEBRP
Cc1ccc(C(=O)C[n+]2ccc(-c3cc[n+](CC(=O)c4ccc(C)cc4)cc3)cc2)cc1	ZINC000026441642	526052390	/nfs/dbraw/zinc/05/23/90/526052390.db2.gz	SOEWPACMMNCUJF-UHFFFAOYSA-N	2	0	422.528	4.311	40	30		HIEBRP
Oc1ccccc1C[NH2+]CC[C@H](S)CC[C@H](S)CC[NH2+]Cc1ccccc1O	ZINC000004706510	557585189	/nfs/dbraw/zinc/58/51/89/557585189.db2.gz	IGTKLUJOZGTRLI-BGYRXZFFSA-N	2	0	420.644	4.134	40	30		HIEBRP
Oc1ccccc1C[NH2+]CC[C@H](S)CC[C@@H](S)CC[NH2+]Cc1ccccc1O	ZINC000004706513	557585176	/nfs/dbraw/zinc/58/51/76/557585176.db2.gz	IGTKLUJOZGTRLI-WOJBJXKFSA-N	2	0	420.644	4.134	40	30		HIEBRP
C#CCOc1ccccc1C[N@@H+]1Cc2cc(C)ccc2OC2(CC[NH+](CC)CC2)C1	ZINC000019527063	569018224	/nfs/dbraw/zinc/01/82/24/569018224.db2.gz	ZDOHYTBWNQLWKV-UHFFFAOYSA-N	2	0	404.554	4.256	40	30		HIEBRP