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)[N@H+]1C[C@@H](C)[C@@H](NC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)C1 ZINC000160224095 495913145 /nfs/dbraw/zinc/91/31/45/495913145.db2.gz JOJUHOHFECDMAN-QUCCMNQESA-N 2 1 364.578 3.013 10 70 FGIEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ncc(-c3ccccc3)s2)CC1 ZINC000159936031 495845150 /nfs/dbraw/zinc/84/51/50/495845150.db2.gz OHYAUPGYYVDYGW-INIZCTEOSA-N 2 1 359.539 3.335 10 70 FGIEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ncc(-c3ccccc3)s2)CC1 ZINC000159936167 495845768 /nfs/dbraw/zinc/84/57/68/495845768.db2.gz OHYAUPGYYVDYGW-MRXNPFEDSA-N 2 1 359.539 3.335 10 70 FGIEMP