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]([NH3+])[C@@]12CCC[C@@H]1[C@H]1CC[C@@H]2C1 217348039 168368379 /nfs/dbraw/zinc/36/83/79/168368379.db2.gz ZBDYDVOVTKTDRB-IYKVGLELSA-N 1 0 179.307 2.550 40 70 AFIBRO C[C@H]([NH3+])[C@@]12CCC[C@@H]1[C@H]1CC[C@@H]2C1 217347976 344401352 /nfs/dbraw/zinc/40/13/52/344401352.db2.gz ZBDYDVOVTKTDRB-PREPNJAASA-N 1 0 179.307 2.550 40 70 AFIBRO