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(c1ccccc1F)N(CCS(=O)(=O)N1CC[NH2+]CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000046140972 526804303 /nfs/dbraw/zinc/80/43/03/526804303.db2.gz VFMKVSQURFQLSD-UHFFFAOYSA-N 2 1 488.629 2.168 10 0 JEAEMP CCN1CC[NH+](CCCNC(=O)c2cnn(-c3ccc(F)cc3F)c2C2CC[NH2+]CC2)CC1 ZINC000020941017 195255668 /nfs/dbraw/zinc/25/56/68/195255668.db2.gz AAGGBRCZBAUZLQ-UHFFFAOYSA-N 2 1 460.573 2.375 10 0 JEAEMP