smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCCn1cc[nH+]c1 ZINC000003649855 171009283 /nfs/dbraw/zinc/00/92/83/171009283.db2.gz KCWDRMKPLNYFEA-UHFFFAOYSA-N 1 2 194.322 3.634 50 30 AHEALO CCCCCCCC1=[NH+]CCCS1 ZINC000101172069 171162804 /nfs/dbraw/zinc/16/28/04/171162804.db2.gz WLDQUSREIMHKLA-UHFFFAOYSA-N 1 2 199.363 3.882 50 30 AHEALO