smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCOCCC[N+](C)(C)CCC[N+](C)(C)C ZINC000111408589 717148318 /nfs/dbraw/zinc/14/83/18/717148318.db2.gz SVWNJKJELFHJHW-UHFFFAOYSA-N 2 0 316.574 3.926 10 30 DHEERP C[NH+](C)/C=C/C=C/C=C1\CCC/C(=C/C=C/C=C/[NH+](C)C)C1=O ZINC000254318306 257104786 /nfs/dbraw/zinc/10/47/86/257104786.db2.gz PNSKXRVMCVFMQJ-YIMBKYOYSA-N 2 0 312.457 3.855 10 30 DHEERP N#CCC[NH2+]CCCCNc1ccnc2cc(Cl)ccc21 ZINC000584651280 337380878 /nfs/dbraw/zinc/38/08/78/337380878.db2.gz OLMPNIAQJJINFA-UHFFFAOYSA-N 2 0 302.809 3.584 10 30 DHEERP