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(N[C@H](c1cnc2ccccc2c1)C1CC(O)C1)c1ccc([O-])cn1 ZINC000218436522 241322437 /nfs/dbraw/zinc/32/24/37/241322437.db2.gz IJSZZQYUQSZGQX-ZVYVSMAVSA-N -1 1 349.390 2.577 50 70 EFIAMM O=C(N[C@@H](c1cnc2ccccc2c1)C1CC(O)C1)c1ccc([O-])cn1 ZINC000218436460 241322473 /nfs/dbraw/zinc/32/24/73/241322473.db2.gz IJSZZQYUQSZGQX-NSRCDFIJSA-N -1 1 349.390 2.577 50 70 EFIAMM