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)CCOc1ccc([C@H](C)NC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000161105562 567870990 /nfs/dbraw/zinc/87/09/90/567870990.db2.gz LIQGXGPYIQGNSJ-WMZOPIPTSA-N 1 2 355.482 3.748 10 70 FHIELO CC(C)CCOc1ccc([C@@H](C)NC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000161105448 567871029 /nfs/dbraw/zinc/87/10/29/567871029.db2.gz LIQGXGPYIQGNSJ-AEFFLSMTSA-N 1 2 355.482 3.748 10 70 FHIELO CC(C)CCOc1ccc([C@H](C)NC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000161105317 567870863 /nfs/dbraw/zinc/87/08/63/567870863.db2.gz LIQGXGPYIQGNSJ-FUHWJXTLSA-N 1 2 355.482 3.748 10 70 FHIELO CC(C)CCOc1ccc([C@@H](C)NC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000161105189 567870884 /nfs/dbraw/zinc/87/08/84/567870884.db2.gz LIQGXGPYIQGNSJ-SJLPKXTDSA-N 1 2 355.482 3.748 10 70 FHIELO