smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC[N+](C)(C)CCSSCC[N+](C)(C)CCC ZINC000059366501 717131637 /nfs/dbraw/zinc/13/16/37/717131637.db2.gz PWOHVDQWYYBZBL-UHFFFAOYSA-N 2 0 294.574 3.341 50 50 CGGARP C[N+](C)(C)CCCCSSCCCC[N+](C)(C)C ZINC000002900790 717095532 /nfs/dbraw/zinc/09/55/32/717095532.db2.gz KRVCVFISSINPIF-UHFFFAOYSA-N 2 0 294.574 3.341 50 50 CGGARP