smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=C1c2cccc(O)c2C(=O)[C@]2(Cl)C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@@H]([NH+](C)C)[C@@H]3[C@@H](O)[C@H]12 ZINC000033989921 569639464 /nfs/dbraw/zinc/63/94/64/569639464.db2.gz NXGHTAFSIJUEPD-QXWMMVLTSA-N 0 2 476.869 -0.703 10 30 JBEELN