smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)C[C@H](c1cc2cccc(C)c2[nH]c1=O)c1c([O-])c(C(C)=O)c([O-])c2c(C)cc(=O)oc21 ZINC000218020397 569882424 /nfs/dbraw/zinc/88/24/24/569882424.db2.gz GOUBNUOOTICJNV-OAHLLOKOSA-N -2 3 477.469 3.560 50 70 biogenic JHIAHL COC(=O)C[C@@H](c1cc2cccc(C)c2[nH]c1=O)c1c([O-])c(C(C)=O)c([O-])c2c(C)cc(=O)oc21 ZINC000218020481 569882475 /nfs/dbraw/zinc/88/24/75/569882475.db2.gz GOUBNUOOTICJNV-HNNXBMFYSA-N -2 3 477.469 3.560 50 70 biogenic JHIAHL