smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH2+]CCOC(C)=O 75519386 167997358 /nfs/dbraw/zinc/99/73/58/167997358.db2.gz ZKXGCJWETIMHPS-UHFFFAOYSA-N 1 0 117.148 -0.231 30 0 ABACRO CC(=O)CC(=O)N1CC[NH2+]CC1 82256811 325607061 /nfs/dbraw/zinc/60/70/61/325607061.db2.gz YAGLMUHGIJFXOR-UHFFFAOYSA-N 1 0 170.212 -0.603 30 0 ABACRO