smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCCCCCCC[C@H](O)C[N+](C)(C)CI ZINC000584650179 717185004 /nfs/dbraw/zinc/18/50/04/717185004.db2.gz KKLBSVZZOOZMQR-IBGZPJMESA-N 1 0 426.447 5.907 10 50 IKGERO CCCCCCCCCCCCCC[C@@H](O)C[N+](C)(C)CI ZINC000584650180 717184972 /nfs/dbraw/zinc/18/49/72/717184972.db2.gz KKLBSVZZOOZMQR-LJQANCHMSA-N 1 0 426.447 5.907 10 50 IKGERO CCCCCC[N+](CCCCCC)(CCCCCC)CCCCCCBr ZINC000065735021 717132391 /nfs/dbraw/zinc/13/23/91/717132391.db2.gz PGVJBSWQCCTHJG-UHFFFAOYSA-N 1 0 433.583 8.499 10 50 in-vitro IKGERO