smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1CC[C@@H]([N-]S(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)C1=O ZINC000160484272 436873185 /nfs/dbraw/zinc/87/31/85/436873185.db2.gz FQQOYDBQKAGESH-RWSFTLGLSA-N -1 3 328.434 0.532 10 70 ECIEHM CC1(C)C[C@H](NC(=O)c2[nH]c(=O)[n-]c(=O)c2N)c2ccccc2O1 ZINC000159819117 436863136 /nfs/dbraw/zinc/86/31/36/436863136.db2.gz WKTYIYFYBBHVHJ-VIFPVBQESA-N -1 3 330.344 0.678 10 70 ECIEHM CC1(C)C[C@@H](NC(=O)c2[nH]c(=O)[n-]c(=O)c2N)c2ccccc2O1 ZINC000159819255 276142228 /nfs/dbraw/zinc/14/22/28/276142228.db2.gz WKTYIYFYBBHVHJ-SECBINFHSA-N -1 3 330.344 0.678 10 70 ECIEHM