smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H]1[C@@H](Cl)[C@H]1C[N@@H+](CCCC(=O)[O-])Cc1ccccc1 ZINC001594188165 998730481 /nfs/dbraw/zinc/73/04/81/998730481.db2.gz QBVXQJJEFVFUOH-DUVNUKRYSA-N 0 1 295.810 3.227 20 50 CGGDMN C[C@@H]1[C@H](Cl)[C@@H]1C[N@@H+](CCCC(=O)[O-])Cc1ccccc1 ZINC001594188158 998730451 /nfs/dbraw/zinc/73/04/51/998730451.db2.gz QBVXQJJEFVFUOH-BJJXKVORSA-N 0 1 295.810 3.227 20 50 CGGDMN C[C@H]1[C@H](C[N@@H+](CCCC(=O)[O-])Cc2ccccc2)[C@H]1Cl ZINC001594188168 998730260 /nfs/dbraw/zinc/73/02/60/998730260.db2.gz QBVXQJJEFVFUOH-NOLJZWGESA-N 0 1 295.810 3.227 20 50 CGGDMN C[C@@H]1[C@@H](Cl)[C@@H]1C[N@@H+](CCCC(=O)[O-])Cc1ccccc1 ZINC001594188166 998730367 /nfs/dbraw/zinc/73/03/67/998730367.db2.gz QBVXQJJEFVFUOH-JGGQBBKZSA-N 0 1 295.810 3.227 20 50 CGGDMN