smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NCc1ccccc1C1(O)CC[NH+](CC2CCCCCC2)CC1	ZINC000028817232	182539780	/nfs/dbraw/zinc/53/97/80/182539780.db2.gz	YFTOEXGSRXAKRE-UHFFFAOYSA-N	1	3	316.489	3.399	1	0		DGAFHO
Cc1cccc(CN(CCCC[NH3+])[C@@H]2CCCc3cccnc32)n1	ZINC000066076010	184386925	/nfs/dbraw/zinc/38/69/25/184386925.db2.gz	DYNCUXHVLGCFAT-LJQANCHMSA-N	1	3	324.472	3.404	1	0		DGAFHO
Cc1ccnc(CN(CCCC[NH3+])[C@H]2CCCc3cccnc32)c1	ZINC000066076006	184387173	/nfs/dbraw/zinc/38/71/73/184387173.db2.gz	AOYOMCFAVFSUJS-IBGZPJMESA-N	1	3	324.472	3.404	1	0		DGAFHO
Cc1cccc(CN(CCCC[NH3+])[C@H]2CCCc3cccnc32)n1	ZINC000066076012	184386851	/nfs/dbraw/zinc/38/68/51/184386851.db2.gz	DYNCUXHVLGCFAT-IBGZPJMESA-N	1	3	324.472	3.404	1	0		DGAFHO
Cc1ccc(CN(CCCC[NH3+])[C@@H]2CCCc3cccnc32)nc1	ZINC000066076007	184387262	/nfs/dbraw/zinc/38/72/62/184387262.db2.gz	OPYUKWLQFVZBTO-LJQANCHMSA-N	1	3	324.472	3.404	1	0		DGAFHO
Cc1ccc(CN(CCCC[NH3+])[C@H]2CCCc3cccnc32)nc1	ZINC000066076009	184386767	/nfs/dbraw/zinc/38/67/67/184386767.db2.gz	OPYUKWLQFVZBTO-IBGZPJMESA-N	1	3	324.472	3.404	1	0		DGAFHO
Cc1c[nH+]c(NCCC[NH+](C)C)c2c3cc([O-])ccc3n(C)c21	ZINC000003644717	181043534	/nfs/dbraw/zinc/04/35/34/181043534.db2.gz	DXPDESOAWCQETH-UHFFFAOYSA-N	1	3	312.417	3.104	1	0		DGAFHO
N=C(N)c1ccc(-c2ccc(-c3ccc(C(N)=[NH2+])cc3)o2)s1	ZINC000066166511	184394559	/nfs/dbraw/zinc/39/45/59/184394559.db2.gz	WHITXMSQIGCCNG-UHFFFAOYSA-N	1	3	310.382	3.243	1	0		DGAFHO
Cc1cccnc1CN(CCCC[NH3+])[C@@H]1CCCc2cccnc21	ZINC000066076001	184386899	/nfs/dbraw/zinc/38/68/99/184386899.db2.gz	DYIVWDFUVRUDQO-LJQANCHMSA-N	1	3	324.472	3.404	1	0		DGAFHO
Cc1ccnc(CN(CCCC[NH3+])[C@@H]2CCCc3cccnc32)c1	ZINC000066076004	184386705	/nfs/dbraw/zinc/38/67/05/184386705.db2.gz	AOYOMCFAVFSUJS-LJQANCHMSA-N	1	3	324.472	3.404	1	0		DGAFHO
Cc1cccnc1CN(CCCC[NH3+])[C@H]1CCCc2cccnc21	ZINC000066076002	184387190	/nfs/dbraw/zinc/38/71/90/184387190.db2.gz	DYIVWDFUVRUDQO-IBGZPJMESA-N	1	3	324.472	3.404	1	0		DGAFHO