smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)=CCc1c2c(c(=O)c3c([O-])c(-c4ccc(O)c(O)c4)coc1-3)C[C@H](C(C)(C)O)O2 ZINC000015205928 557284929 /nfs/dbraw/zinc/28/49/29/557284929.db2.gz NMEQUFXTRAXRGN-LJQANCHMSA-N -1 1 438.476 4.160 10 10 biogenic IICEMM CC(C)=CCc1c2c(c(=O)c3c([O-])c(-c4ccc(O)c(O)c4)coc1-3)C[C@@H](C(C)(C)O)O2 ZINC000015205931 557284989 /nfs/dbraw/zinc/28/49/89/557284989.db2.gz NMEQUFXTRAXRGN-IBGZPJMESA-N -1 1 438.476 4.160 10 10 biogenic IICEMM