smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+][C@@H](CCC(=O)[O-])C(=O)Oc1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12 ZINC000028712741 563062989 /nfs/dbraw/zinc/06/29/89/563062989.db2.gz IBRBERDDYMZVAT-QMMMGPOBSA-N 0 2 447.352 1.086 1 10 IDCFLN