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(CCCCBr)[C@@H]2CC[C@H]1C[C@@H](OC(=O)[C@H](CO)c1ccccc1)C2 ZINC000100751242 717143966 /nfs/dbraw/zinc/14/39/66/717143966.db2.gz PQDPREKWAAZKID-UTEJYTLASA-N 1 0 425.387 3.621 40 50 IHGBRO C[N+]1(CCCCBr)[C@@H]2CC[C@H]1C[C@@H](OC(=O)[C@@H](CO)c1ccccc1)C2 ZINC000100751239 717143963 /nfs/dbraw/zinc/14/39/63/717143963.db2.gz PQDPREKWAAZKID-NJQGOSEYSA-N 1 0 425.387 3.621 40 50 IHGBRO