smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)OC[C@H]1O[C@@H](OC2=C([O-])c3ccccc3C(=O)C2=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000070665516 553596622 /nfs/dbraw/zinc/59/66/22/553596622.db2.gz DVMHHFJSDVKWIR-RMAPMBFVSA-N -1 2 520.443 0.935 50 30 biogenic KCEALM CC(=O)OC[C@H]1O[C@@H](OC2=C([O-])C(=O)c3ccccc3C2=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000070665516 553596621 /nfs/dbraw/zinc/59/66/21/553596621.db2.gz DVMHHFJSDVKWIR-RMAPMBFVSA-N -1 2 520.443 0.935 50 30 biogenic KCEALM