smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1[nH+]c[nH]c1CSCC[NH2+]Cc1cccc2[nH]ccc21 ZINC000015423537 182001158 /nfs/dbraw/zinc/00/11/58/182001158.db2.gz LTPAWMMZVBWCDM-UHFFFAOYSA-N 2 2 300.431 3.222 40 10 DGCBLP