smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC1(C)CCC[C@H]2COc3cc([O-])c4c(=O)cc(-c5ccc(O)c(O)c5)oc4c3C[C@H]21 ZINC000033834133 291273819 /nfs/dbraw/zinc/27/38/19/291273819.db2.gz NKZVXBLXJXFAAZ-GOEBONIOSA-N -1 1 422.477 4.954 1 10 biogenic,in-vitro HJCFMM