smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCCc1ccc([S-])cc1 ZINC000001679167 346463334 /nfs/dbraw/zinc/46/33/34/346463334.db2.gz FZXZNIDUTACSLM-UHFFFAOYSA-N -1 0 236.424 5.268 40 30 BKEBRM CCCCCCCCCCCC[C@H](C)C(=O)[O-] ZINC000001731996 188454958 /nfs/dbraw/zinc/45/49/58/188454958.db2.gz BWCZFWIRIAYLHO-AWEZNQCLSA-N -1 0 242.403 5.018 40 30 BKEBRM CCCCCCCCCCCC[C@@H](C)C(=O)[O-] ZINC000100302894 191062751 /nfs/dbraw/zinc/06/27/51/191062751.db2.gz BWCZFWIRIAYLHO-CQSZACIVSA-N -1 0 242.403 5.018 40 30 BKEBRM