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+](C)(C)CCCCCCBr ZINC000022053397 717113069 /nfs/dbraw/zinc/11/30/69/717113069.db2.gz WJNHFKVKJHYMNG-UHFFFAOYSA-N 1 0 223.178 2.648 40 50 in-vitro BFGBRO C[N+]12CCCC[C@@H]1[C@H](CBr)CCC2 ZINC000004044326 717097885 /nfs/dbraw/zinc/09/78/85/717097885.db2.gz NBHQDJXHWDFYIY-VUDPYIQVSA-N 1 0 247.200 2.790 40 50 BFGBRO