smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCC[N+](CCCCC)(CCCCC)CCSS(C)(=O)=O ZINC000006592232 717104726 /nfs/dbraw/zinc/10/47/26/717104726.db2.gz LECISLVNBQMEAI-UHFFFAOYSA-N 1 0 366.657 5.067 10 50 in-vitro FKGERO