smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cccc(Cl)c1Nc1nc2cnc(N3C[C@@H](C)[NH2+][C@@H](C)C3)cc2n2c[nH+]cc12	ZINC000013582054	581092876	/nfs/dbraw/zinc/09/28/76/581092876.db2.gz	MKSCFUMSRMTDBL-GASCZTMLSA-N	2	2	421.936	4.170	1	0		HIAFLP
CCC[N@H+](CCC[NH+]1CCN(c2ccccc2)CC1)[C@H]1CCc2ccc(O)cc2C1	ZINC000028964151	581094329	/nfs/dbraw/zinc/09/43/29/581094329.db2.gz	JNTZATOMFKWPTP-VWLOTQADSA-N	2	2	407.602	4.174	1	0		HIAFLP
CCC[N@@H+](CCC[NH+]1CCN(c2ccccc2)CC1)[C@H]1CCc2ccc(O)cc2C1	ZINC000028964151	581094330	/nfs/dbraw/zinc/09/43/30/581094330.db2.gz	JNTZATOMFKWPTP-VWLOTQADSA-N	2	2	407.602	4.174	1	0		HIAFLP
Cc1cccc(Cl)c1Nc1nc2cc(N3CC[NH+](C)CC3)ccc2n2c[nH+]cc12	ZINC000013860337	581092869	/nfs/dbraw/zinc/09/28/69/581092869.db2.gz	KFXDFKOIKVEJBQ-UHFFFAOYSA-N	2	2	406.921	4.340	1	0		HIAFLP
CCC[N@H+](CCC[NH+]1CCN(c2ccccc2)CC1)[C@@H]1CCc2ccc(O)cc2C1	ZINC000028964145	581094295	/nfs/dbraw/zinc/09/42/95/581094295.db2.gz	JNTZATOMFKWPTP-RUZDIDTESA-N	2	2	407.602	4.174	1	0		HIAFLP
CCC[N@@H+](CCC[NH+]1CCN(c2ccccc2)CC1)[C@@H]1CCc2ccc(O)cc2C1	ZINC000028964145	581094296	/nfs/dbraw/zinc/09/42/96/581094296.db2.gz	JNTZATOMFKWPTP-RUZDIDTESA-N	2	2	407.602	4.174	1	0		HIAFLP