smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(-c2cc([O-])c3c(=O)cc4c(c-3o2)[C@H](c2ccc(OC)c(OCC(N)=O)c2)CC(=O)O4)cc1O ZINC000217670588 571602380 /nfs/dbraw/zinc/60/23/80/571602380.db2.gz UJKKYMYCRPIBBT-HNNXBMFYSA-N -1 1 533.489 3.194 50 70 KGIAMM COc1ccc(-c2cc([O-])c3c(=O)cc4c(c-3o2)[C@@H](c2ccc(OC)c(OCC(N)=O)c2)CC(=O)O4)cc1O ZINC000217670663 571602390 /nfs/dbraw/zinc/60/23/90/571602390.db2.gz UJKKYMYCRPIBBT-OAHLLOKOSA-N -1 1 533.489 3.194 50 70 KGIAMM