smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@H]1[C@@H]2[C@@]34CC[N+]2(CCl)CC[C@@H]1C(C(=O)OC)=C3Nc1ccccc14 ZINC000238788492 717163447 /nfs/dbraw/zinc/16/34/47/717163447.db2.gz ZBCMNADOWLNVRE-ZIKUWTKISA-O 1 0 373.904 3.622 1 50 FHGFRO C/C=C1/C[N+]2(CCl)[C@H]3C[C@@H]1[C@@H](CO)[C@@H]2Cc1c2ccccc2n(C)c13 ZINC000238751609 717162669 /nfs/dbraw/zinc/16/26/69/717162669.db2.gz UIEKHYIYGGOXQK-KIUKWZJFSA-N 1 0 357.905 3.746 1 50 FHGFRO