smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)[C@H]1[C@H]([N+](C)(C)CCI)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000004900116 717098356 /nfs/dbraw/zinc/09/83/56/717098356.db2.gz OOYJKRZDSBCHSQ-DWKSCWABSA-N 1 0 514.512 5.005 40 50 KKGBRO CC(=O)[C@H]1[C@@H]([N+](C)(C)CCI)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118922875 717150183 /nfs/dbraw/zinc/15/01/83/717150183.db2.gz OOYJKRZDSBCHSQ-KFGZADJESA-N 1 0 514.512 5.005 40 50 KKGBRO CC(=O)[C@H]1[C@H]([N+](C)(C)CCI)C[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118922876 717150311 /nfs/dbraw/zinc/15/03/11/717150311.db2.gz OOYJKRZDSBCHSQ-DMQFDWFSSA-N 1 0 514.512 5.005 40 50 KKGBRO CC(=O)[C@H]1[C@@H]([N+](C)(C)CCI)C[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118922877 717150106 /nfs/dbraw/zinc/15/01/06/717150106.db2.gz OOYJKRZDSBCHSQ-DMRDWKPJSA-N 1 0 514.512 5.005 40 50 KKGBRO