smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1Nc2cc(CN3CCCC3)ccc2N2CCCC[C@H]12	ZINC000043018714	581100865	/nfs/dbraw/zinc/10/08/65/581100865.db2.gz	CFSCMJAXYYFBFU-MRXNPFEDSA-N	0	3	285.391	2.593	1	10		CFCFHN
O=C1Nc2cc(CN3CCCC3)ccc2N2CCCC[C@@H]12	ZINC000043018717	581100799	/nfs/dbraw/zinc/10/07/99/581100799.db2.gz	CFSCMJAXYYFBFU-INIZCTEOSA-N	0	3	285.391	2.593	1	10		CFCFHN
COc1ccc(C[C@H]2NCCc3cc(O)c(O)cc32)cc1	ZINC000096829759	185115357	/nfs/dbraw/zinc/11/53/57/185115357.db2.gz	FWQAUIPLDHTNCB-OAHLLOKOSA-N	0	3	285.343	2.536	1	10		CFCFHN
COc1ccc2c(c1[O-])[C@@H](Cc1ccc(O)cc1)[N@@H+](C)CC2	ZINC000034310303	560087384	/nfs/dbraw/zinc/08/73/84/560087384.db2.gz	QRKWLDOOAQAGAE-OAHLLOKOSA-N	0	3	299.370	2.878	1	10	endogenous,in-man	CFCFHN
COc1ccc2c(c1[O-])[C@@H](Cc1ccc(O)cc1)[N@H+](C)CC2	ZINC000034310303	560087385	/nfs/dbraw/zinc/08/73/85/560087385.db2.gz	QRKWLDOOAQAGAE-OAHLLOKOSA-N	0	3	299.370	2.878	1	10	endogenous,in-man	CFCFHN
COc1ccc(C[C@H]2[NH2+]CCc3ccc(OC)c([O-])c32)cc1	ZINC000015263001	560229908	/nfs/dbraw/zinc/22/99/08/560229908.db2.gz	KRFKJAVTNDLYGI-OAHLLOKOSA-N	0	3	299.370	2.839	1	10	biogenic,in-vitro	CFCFHN