smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])[C@H](Cc1cn(-c2ccccc2)nn1)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC001116780523 1126146297 /nfs/dbraw/zinc/14/62/97/1126146297.db2.gz QTLOADICJZFUCO-FQEVSTJZSA-N 0 0 425.464 2.029 20 10 IECDRN O=C([O-])[C@@H](Cc1cn(-c2ccccc2)nn1)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC001116780525 1126146233 /nfs/dbraw/zinc/14/62/33/1126146233.db2.gz QTLOADICJZFUCO-HXUWFJFHSA-N 0 0 425.464 2.029 20 10 IECDRN