smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC1=NC(=NNc2cc(S(=O)(=O)[O-])ccc2S(=O)(=O)[O-])C(C[P@@](=O)([O-])O)=C(C=O)C1=O	ZINC000013861572	563002487	/nfs/dbraw/zinc/00/24/87/563002487.db2.gz	BEUAGQZJDAPBKT-WUKNDPDISA-N	-3	0	495.384	1.495	1	10		JDCFRL
O=S(=O)([O-])O/C=C/c1ccc2c(c1)O[C@@H](c1ccc(O)c(O)c1)[C@H](OS(=O)(=O)[O-])O2	ZINC000038909948	563135697	/nfs/dbraw/zinc/13/56/97/563135697.db2.gz	CWFVYNVKDKFJCE-DKLOGILVSA-N	-2	0	462.410	1.546	1	10		JDCFRL
COc1ccc(/C=C/C(=O)O[C@H](C(=O)[O-])[C@](O)(Cc2ccc(O)c(O)c2)C(=O)[O-])cc1OC	ZINC000015219333	563011452	/nfs/dbraw/zinc/01/14/52/563011452.db2.gz	YMPYAGUNPNITIL-AHKCGJDQSA-N	-2	0	462.407	1.183	1	10		JDCFRL
O=C([O-])[C@H](OC(=O)CCc1ccc(O)c(O)c1)[C@H](OC(=O)CCc1ccc(O)c(O)c1)C(=O)[O-]	ZINC000027559108	563046644	/nfs/dbraw/zinc/04/66/44/563046644.db2.gz	LSABLHXNDXJOIS-BGYRXZFFSA-N	-2	0	478.406	1.067	1	10		JDCFRL
O=C([O-])[C@H](OC(=O)CCc1ccc(O)c(O)c1)[C@@H](OC(=O)CCc1ccc(O)c(O)c1)C(=O)[O-]	ZINC000013556357	562973820	/nfs/dbraw/zinc/97/38/20/562973820.db2.gz	LSABLHXNDXJOIS-WOJBJXKFSA-N	-2	0	478.406	1.067	1	10		JDCFRL
COc1ccc(/C=C\C(=O)O[C@H](C(=O)[O-])[C@](O)(Cc2ccc(O)c(O)c2)C(=O)[O-])cc1OC	ZINC000049072875	563201513	/nfs/dbraw/zinc/20/15/13/563201513.db2.gz	YMPYAGUNPNITIL-SAEXZTQASA-N	-2	0	462.407	1.183	1	10		JDCFRL
O=C([O-])[C@H](OC(=O)/C=C\c1ccc(O)c(O)c1)[C@H](OC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)[O-]	ZINC000018038506	581101883	/nfs/dbraw/zinc/10/18/83/581101883.db2.gz	YDDGKXBLOXEEMN-UNKCTHHLSA-N	-2	0	474.374	1.228	1	10	endogenous,in-man	JDCFRL
O=C([O-])C[C@@H](OC(=O)/C=C\c1ccc(O)c(O)c1)[C@@](O)(CC(=O)[O-])Cc1ccc(O)c(O)c1	ZINC000085506254	291464639	/nfs/dbraw/zinc/46/46/39/291464639.db2.gz	NIILTAHMGPDJNM-RAAWFYQDSA-N	-2	0	462.407	1.357	1	10	biogenic,in-vitro	JDCFRL
O=C([O-])[C@@H](Cc1cc([O-])c(O)cc1[N+](=O)[O-])OC(=O)/C=C/c1cc([O-])c(O)cc1[N+](=O)[O-]	ZINC000029054821	563093506	/nfs/dbraw/zinc/09/35/06/563093506.db2.gz	WDRVTCRFDNMCBL-XGBNDESESA-N	-3	0	450.312	1.578	1	10		JDCFRL
O=S(=O)([O-])O/C=C/c1ccc2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](OS(=O)(=O)[O-])O2	ZINC000038909946	563135701	/nfs/dbraw/zinc/13/57/01/563135701.db2.gz	CWFVYNVKDKFJCE-QDNWOOLPSA-N	-2	0	462.410	1.546	1	10		JDCFRL
O=S(=O)([O-])O/C=C/c1ccc2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](OS(=O)(=O)[O-])O2	ZINC000038909951	563135714	/nfs/dbraw/zinc/13/57/14/563135714.db2.gz	CWFVYNVKDKFJCE-DOOVEFGSSA-N	-2	0	462.410	1.546	1	10		JDCFRL
O=C([O-])[C@@H](OC(=O)CCc1ccc(O)c(O)c1)[C@H](OC(=O)CCc1ccc(O)c(O)c1)C(=O)[O-]	ZINC000027559110	563046598	/nfs/dbraw/zinc/04/65/98/563046598.db2.gz	LSABLHXNDXJOIS-PMACEKPBSA-N	-2	0	478.406	1.067	1	10		JDCFRL
O=S(=O)([O-])O/C=C/c1ccc2c(c1)O[C@@H](c1ccc(O)c(O)c1)[C@@H](OS(=O)(=O)[O-])O2	ZINC000038909953	563135713	/nfs/dbraw/zinc/13/57/13/563135713.db2.gz	CWFVYNVKDKFJCE-DZEZYYDTSA-N	-2	0	462.410	1.546	1	10		JDCFRL