smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc2nc(N)n(CCC[N@H+](C)CCCn3c(N)[nH+]c4ccc(OC)cc43)c2c1 ZINC000029403815 563079319 /nfs/dbraw/zinc/07/93/19/563079319.db2.gz DENCKGAQQAOLRW-UHFFFAOYSA-N 2 3 437.548 2.980 1 0 IFAFHP COc1ccc2nc(N)n(CCC[N@@H+](C)CCCn3c(N)[nH+]c4ccc(OC)cc43)c2c1 ZINC000029403815 563079321 /nfs/dbraw/zinc/07/93/21/563079321.db2.gz DENCKGAQQAOLRW-UHFFFAOYSA-N 2 3 437.548 2.980 1 0 IFAFHP