smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N+]1(Cc2ccc(C[N+]3(C)CCCCCC3)cc2)CCCCCC1 ZINC000001646402 563398794 /nfs/dbraw/zinc/39/87/94/563398794.db2.gz JXIIOUPHFFEZJD-UHFFFAOYSA-N 2 0 330.560 4.728 40 5 EJBBRP C[N+]1(Cc2ccccc2C[N+]2(C)CCCCCC2)CCCCCC1 ZINC000001594966 563395436 /nfs/dbraw/zinc/39/54/36/563395436.db2.gz BRHHQUSJMCOMPT-UHFFFAOYSA-N 2 0 330.560 4.728 40 5 EJBBRP