smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc2c(cc1O[C@@H]1O[C@H](COC(=O)CC(=O)[O-])[C@@H](O)[C@H](O)[C@H]1O)occ(-c1ccc([O-])cc1)c2=O	ZINC000030730350	553855682	/nfs/dbraw/zinc/85/56/82/553855682.db2.gz	OWMHCYFEIJPHFB-GOZZSVHWSA-N	-2	3	532.454	0.379	10	0	endogenous,in-man	KCAEHL
O=C([O-])CC(=O)OC[C@@H]1O[C@H](Oc2ccc3c(=O)c(-c4ccc([O-])cc4)coc3c2)[C@@H](O)[C@H](O)[C@H]1O	ZINC000070457358	560047026	/nfs/dbraw/zinc/04/70/26/560047026.db2.gz	MTXMHWSVSZKYBT-DQXGGZLGSA-N	-2	3	502.428	0.370	10	0	endogenous,in-man	KCAEHL
CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)N)C(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000097972728	553967062	/nfs/dbraw/zinc/96/70/62/553967062.db2.gz	FUSHTHSTTRFCPC-OBXVVNIGSA-N	-2	3	722.840	0.745	10	0		KCAEHL
COc1cc(O[C@@H]2O[C@H](COC(=O)CC(=O)[O-])[C@@H](O)[C@H](O)[C@H]2O)c2occ(-c3ccc([O-])cc3)c(=O)c2c1	ZINC000100053237	554195387	/nfs/dbraw/zinc/19/53/87/554195387.db2.gz	OYDNPVAEDDPNLO-XIRKIXBGSA-N	-2	3	532.454	0.379	10	0		KCAEHL
CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(=O)[O-])C(=O)[O-]	ZINC000301320017	572143656	/nfs/dbraw/zinc/14/36/56/572143656.db2.gz	JELHPECOPKUHAI-CISYKLKFSA-N	-2	3	801.945	0.107	10	0		KCAEHL