smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)OC[C@@H]1O[C@@H](Oc2ccc3c(c2)occ(-c2ccc([O-])cc2)c3=O)[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000013328774	571697316	/nfs/dbraw/zinc/69/73/16/571697316.db2.gz	ZMOZJTDOTOZVRT-JELQSWKKSA-N	-1	3	458.419	0.915	10	0	endogenous,in-man	JCAEHM
COc1ccc(-c2cc([O-])c3c(=O)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)cc-3o2)cc1	ZINC000059737294	569607577	/nfs/dbraw/zinc/60/75/77/569607577.db2.gz	ROLSKYQOJWBOTN-RWMNSCGUSA-N	-1	3	476.434	0.362	10	0		JCAEHM
COc1cc(O[C@@H]2O[C@H](COC(=O)c3cc(OC)c([O-])c(OC)c3)[C@@H](O)[C@H](O)[C@H]2O)ccc1O	ZINC000096023748	569731978	/nfs/dbraw/zinc/73/19/78/569731978.db2.gz	IXDFDPOPSXBXHH-QKYBYQKWSA-N	-1	3	482.438	0.167	10	0		JCAEHM
COC(=O)[C@H]1O[C@@H](Oc2cc3oc(-c4ccccc4)cc([O-])c-3c(=O)c2OC)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000143001325	569867549	/nfs/dbraw/zinc/86/75/49/569867549.db2.gz	BLLTXLXSBUMNOK-VLXBDIDVSA-N	-1	3	474.418	0.534	10	0	biogenic	JCAEHM
CC(=O)OC[C@@H]1O[C@H](Oc2ccc3c(c2)occ(-c2ccc([O-])cc2)c3=O)[C@@H](O)[C@H](O)[C@H]1O	ZINC000238750729	574420441	/nfs/dbraw/zinc/42/04/41/574420441.db2.gz	ZMOZJTDOTOZVRT-LCNLMQJVSA-N	-1	3	458.419	0.915	10	0	endogenous,in-man	JCAEHM
CC(=O)OC[C@@H]1O[C@@H](Oc2ccc3c(c2)occ(-c2ccc([O-])cc2)c3=O)[C@@H](O)[C@H](O)[C@H]1O	ZINC000257782821	571861098	/nfs/dbraw/zinc/86/10/98/571861098.db2.gz	ZMOZJTDOTOZVRT-LKZJFHPWSA-N	-1	3	458.419	0.915	10	0	endogenous,in-man	JCAEHM