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)C[C@@H](C(=O)[O-])[C@H](c1cccc2ccccc21)c1cccc2ccc3ccccc3c21 ZINC000001673205 555708865 /nfs/dbraw/zinc/70/88/65/555708865.db2.gz PMCXMNWKMHPDIP-LEAFIULHSA-N -1 2 434.491 6.454 40 5 IKBBLM O=C(O)C[C@@H](C(=O)[O-])[C@@H](c1cccc2ccccc21)c1cccc2ccc3ccccc3c21 ZINC000001673204 555708913 /nfs/dbraw/zinc/70/89/13/555708913.db2.gz PMCXMNWKMHPDIP-NAKRPHOHSA-N -1 2 434.491 6.454 40 5 IKBBLM O=C(O)C[C@H](C(=O)[O-])[C@H](c1cccc2ccccc21)c1cccc2ccc3ccccc3c21 ZINC000001673207 555708956 /nfs/dbraw/zinc/70/89/56/555708956.db2.gz PMCXMNWKMHPDIP-LBNVMWSVSA-N -1 2 434.491 6.454 40 5 IKBBLM O=C(O)C[C@H](C(=O)[O-])[C@@H](c1cccc2ccccc21)c1cccc2ccc3ccccc3c21 ZINC000001673206 555708908 /nfs/dbraw/zinc/70/89/08/555708908.db2.gz PMCXMNWKMHPDIP-LSYYVWMOSA-N -1 2 434.491 6.454 40 5 IKBBLM