smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCO[C@H](CC)C(=O)NN=c1c(F)c(F)[n-]c(F)c1F ZINC000105593148 725377248 /nfs/dbraw/zinc/37/72/48/725377248.db2.gz FOVKECPGCFAQIA-RXMQYKEDSA-N -1 1 295.236 1.896 10 50 CDGEMM CCO[C@@H](CC)C(=O)NN=c1c(F)c(F)[n-]c(F)c1F ZINC000105593146 682865011 /nfs/dbraw/zinc/86/50/11/682865011.db2.gz FOVKECPGCFAQIA-YFKPBYRVSA-N -1 1 295.236 1.896 10 50 CDGEMM