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)(C)CC(=O)OC(=O)[C@@H]1CCCCN1 ZINC000205206002 717159798 /nfs/dbraw/zinc/15/97/98/717159798.db2.gz AHIUHSVMCFVWKS-VIFPVBQESA-N 1 0 229.300 -0.096 10 50 BBGERO C[N+](C)(C)CC(=O)OC(=O)[C@H]1CCCCN1 ZINC000205206014 717159864 /nfs/dbraw/zinc/15/98/64/717159864.db2.gz AHIUHSVMCFVWKS-SECBINFHSA-N 1 0 229.300 -0.096 10 50 BBGERO