smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC[N@H+]([C@@H](C)c1ccccc1O)[C@H]1CC[NH2+]C1 ZINC000071314573 169180818 /nfs/dbraw/zinc/18/08/18/169180818.db2.gz OIMWGUKMLHYNLB-STQMWFEESA-N 2 1 248.370 2.527 10 10 BFCEMP CCC[N@@H+]([C@@H](C)c1ccccc1O)[C@H]1CC[NH2+]C1 ZINC000071314573 169180820 /nfs/dbraw/zinc/18/08/20/169180820.db2.gz OIMWGUKMLHYNLB-STQMWFEESA-N 2 1 248.370 2.527 10 10 BFCEMP CCC[N@H+]([C@@H](C)c1ccccc1O)[C@@H]1CC[NH2+]C1 ZINC000071314572 169182023 /nfs/dbraw/zinc/18/20/23/169182023.db2.gz OIMWGUKMLHYNLB-QWHCGFSZSA-N 2 1 248.370 2.527 10 10 BFCEMP CCC[N@@H+]([C@@H](C)c1ccccc1O)[C@@H]1CC[NH2+]C1 ZINC000071314572 169182024 /nfs/dbraw/zinc/18/20/24/169182024.db2.gz OIMWGUKMLHYNLB-QWHCGFSZSA-N 2 1 248.370 2.527 10 10 BFCEMP