smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(N2CCN(C(=O)CN3CCCN(C)CC3)CC2)cc(C)[nH+]1 ZINC000218623235 241334072 /nfs/dbraw/zinc/33/40/72/241334072.db2.gz ZJPLVBSWVPLQQG-UHFFFAOYSA-N 1 3 345.491 0.985 50 70 ECIAHO