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+][C@@H](Cc1c[nH+]c[nH]1)C(=O)OCC 259528271 573608254 /nfs/dbraw/zinc/60/82/54/573608254.db2.gz DZFPDBUPPMEXRX-QMMMGPOBSA-N 2 2 193.206 0.803 10 50 ACGELP C#[N+][C@@H](Cc1c[nH]c[nH+]1)C(=O)OCC 259528271 573608260 /nfs/dbraw/zinc/60/82/60/573608260.db2.gz DZFPDBUPPMEXRX-QMMMGPOBSA-N 2 2 193.206 0.803 10 50 ACGELP C#[N+][C@H](Cc1c[nH+]c[nH]1)C(=O)OCC 259528269 573611971 /nfs/dbraw/zinc/61/19/71/573611971.db2.gz DZFPDBUPPMEXRX-MRVPVSSYSA-N 2 2 193.206 0.803 10 50 ACGELP C#[N+][C@H](Cc1c[nH]c[nH+]1)C(=O)OCC 259528269 573611975 /nfs/dbraw/zinc/61/19/75/573611975.db2.gz DZFPDBUPPMEXRX-MRVPVSSYSA-N 2 2 193.206 0.803 10 50 ACGELP