smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Nc1nc(/C(=N/[O-])C(=O)N[C@@H]2C(=O)N3C(C(=O)[O-])=C(SCSc4c[nH]nn4)CS[C@H]23)cs1 ZINC000003915526 561684776 /nfs/dbraw/zinc/68/47/76/561684776.db2.gz UEQVTKSAEXANEZ-YCRCPZNHSA-N -2 1 514.596 0.201 10 30 investigational KCEEML C=C(C)[C@@H]1NC(=O)[C@H](NC)[C@H](O)c2cc(Cl)c(O)c(c2)O[C@](C)(CC)[C@@H](C(=O)N2CC=C[C@H]2C(=O)N/C(C(=O)N/C(=C/C(=O)[O-])C(=O)[O-])=C(\C)CC)NC1=O ZINC000223589189 574049118 /nfs/dbraw/zinc/04/91/18/574049118.db2.gz FAFRRYBYQKPKSY-BFFGXNOCSA-N -3 1 789.239 0.510 10 30 endogenous,in-man KCEEML