smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC[C@H]1[C@@H](NC(=O)Cc2c[nH]c(=O)[n-]c2=O)[C@@H]2CCO[C@H]12 ZINC000218702879 373075386 /nfs/dbraw/zinc/07/53/86/373075386.db2.gz FYTTYWFOBPBXRR-QSFUFRPTSA-N -1 3 309.322 -1.228 50 70 DAIAHM CSCC[C@H](NC(C)=O)C(=O)NCc1c[nH]c(=O)[n-]c1=O ZINC000217113313 373690070 /nfs/dbraw/zinc/69/00/70/373690070.db2.gz SCMVBHFWFUFKRU-VIFPVBQESA-N -1 3 314.367 -1.063 50 70 DAIAHM