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+](CCCl)(CCCl)Cc1ccc(S(C)(=O)=O)cc1 ZINC000001636823 717088538 /nfs/dbraw/zinc/08/85/38/717088538.db2.gz JJXFJMZYRJNBJT-UHFFFAOYSA-N 1 0 325.281 2.514 40 50 EFGBRO C[N+](C)(C)CC(Br)(Br)CBr ZINC000003164423 717095371 /nfs/dbraw/zinc/09/53/71/717095371.db2.gz QBTYKVHDZAGOPE-UHFFFAOYSA-N 1 0 338.889 2.574 40 50 EFGBRO