smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)[C@H](C)S[C@@H](C)c1ccc(C#N)cc1 ZINC000463237235 388732200 /nfs/dbraw/zinc/73/22/00/388732200.db2.gz UOWQLDJIAOZMNI-RYUDHWBXSA-N 0 2 233.380 4.397 20 30 BIEDLN