smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CNS(=O)(=O)[N-][C@@H](CO)C(=O)OC ZINC000160975627 173406862 /nfs/dbraw/zinc/40/68/62/173406862.db2.gz PDWGEVZGFLPLOQ-BYPYZUCNSA-N -1 3 212.227 -2.426 20 70 BAIDHM CNS(=O)(=O)[N-][C@H](CO)C(=O)OC ZINC000160975767 388106604 /nfs/dbraw/zinc/10/66/04/388106604.db2.gz PDWGEVZGFLPLOQ-SCSAIBSYSA-N -1 3 212.227 -2.426 20 70 BAIDHM