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)NCC(=O)C[N+]#N 5278618 166269071 /nfs/dbraw/zinc/26/90/71/166269071.db2.gz AWQOQGIWENXZKW-UHFFFAOYSA-N 1 0 141.130 -1.008 50 10 AACARO N#[N+]CC(=O)OC[C@H]([NH3+])C(=O)[O-] 3977741 171010825 /nfs/dbraw/zinc/01/08/25/171010825.db2.gz MZZGOOYMKKIOOX-VKHMYHEASA-N 1 0 173.128 -1.758 50 10 in-man AACARO