smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1cnc2c1c(=O)n(CC(=O)Nc1cc(S(=O)(=O)N3CCCCC3)ccc1N1CC[NH+](C)CC1)c(=O)n2C ZINC000514296761 1066204679 /nfs/dbraw/zinc/20/46/79/1066204679.db2.gz PKIFCIFFUWBXRV-UHFFFAOYSA-N 1 1 558.665 -0.001 20 0 KBADMO Cn1c2ncn(CC(=O)Nc3cc(S(=O)(=O)N4CCCCC4)ccc3N3CC[NH+](C)CC3)c2c(=O)n(C)c1=O ZINC000514379214 1066205167 /nfs/dbraw/zinc/20/51/67/1066205167.db2.gz POOYVMVJRMTBGG-UHFFFAOYSA-N 1 1 558.665 -0.001 20 0 KBADMO