smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCCC[N+](C)(C)CC[NH+](C)C ZINC000103233698 717146212 /nfs/dbraw/zinc/14/62/12/717146212.db2.gz PQZGOXBUAVPKSR-UHFFFAOYSA-N 2 2 257.486 3.765 1 30 CHEFLP CC[NH+](CC)CC/[NH+]=C1\C[C@H]2CC[C@]1(C)C2(C)C ZINC000096940422 185134058 /nfs/dbraw/zinc/13/40/58/185134058.db2.gz XRPLRUMNYPTCSQ-SQGGEIARSA-N 2 2 250.430 3.615 1 30 CHEFLP