smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCC[NH2+]Cc1cc(C(C)(C)C)cc(C[NH2+]CCCCCC)c1O ZINC000004706016 570396130 /nfs/dbraw/zinc/39/61/30/570396130.db2.gz GPRWMHCAGDWJTM-UHFFFAOYSA-N 2 1 376.629 6.030 40 10 GKCBMP Oc1c(O)c(C[NH+]2CCCCCC2)c2ccccc2c1C[NH+]1CCCCCC1 ZINC000096305855 211333757 /nfs/dbraw/zinc/33/37/57/211333757.db2.gz FXEMACRAIKSXAV-UHFFFAOYSA-N 2 1 382.548 5.003 40 10 GKCBMP