smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(NCCN1CC[NH2+]CC1)c1c[nH]c2c3ccccc3ccc2c1=O ZINC000040845094 205083574 /nfs/dbraw/zinc/08/35/74/205083574.db2.gz OICLWTRHHXEABW-UHFFFAOYSA-N 1 1 350.422 1.316 1 5 FDBFMO CCn1c2cc(N3CC[NH+](C)CC3)c(N)cc2c(=O)c2c(O)cc(O)cc21 ZINC000096900782 132226286 /nfs/dbraw/zinc/22/62/86/132226286.db2.gz KSYDLCFTXKMJLR-UHFFFAOYSA-N 1 1 368.437 1.920 1 5 FDBFMO