smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N@H+](CC[N+](=O)[O-])[C@@H]1COC[C@H]1O 931746394 631127804 /nfs/dbraw/zinc/12/78/04/631127804.db2.gz HJUNNUKEGGPRSI-RNFRBKRXSA-N 1 2 190.199 -1.045 20 5 AABDLO C[N@@H+](CC[N+](=O)[O-])[C@@H]1COC[C@H]1O 931746394 631127806 /nfs/dbraw/zinc/12/78/06/631127806.db2.gz HJUNNUKEGGPRSI-RNFRBKRXSA-N 1 2 190.199 -1.045 20 5 AABDLO CNC(=O)C1C[NH+](CC[N+](=O)[O-])C1 1355394000 1170555125 /nfs/dbraw/zinc/55/51/25/1170555125.db2.gz VMEZOAYJPGTXKV-UHFFFAOYSA-N 1 2 187.199 -1.059 20 5 AABDLO