smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)[O-])CC(=O)[O-] ZINC000023255778 556035542 /nfs/dbraw/zinc/03/55/42/556035542.db2.gz HNKLWQJNERCAQA-LBPRGKRZSA-N -4 0 471.419 -1.933 40 10 JACBRL O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)[O-])CC(=O)[O-] ZINC000023255781 556035626 /nfs/dbraw/zinc/03/56/26/556035626.db2.gz HNKLWQJNERCAQA-GFCCVEGCSA-N -4 0 471.419 -1.933 40 10 JACBRL