smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H](/N=C/c1ccccc1[O-])C(=O)[O-] 38844042 571857218 /nfs/dbraw/zinc/85/72/18/571857218.db2.gz IAXKPCNASAJLRO-PKTIUJEHSA-N -2 3 193.202 1.284 20 30 ADEDHL C[C@H](/N=C/c1ccccc1[O-])C(=O)[O-] 35964089 572189190 /nfs/dbraw/zinc/18/91/90/572189190.db2.gz IAXKPCNASAJLRO-KEXZDQNZSA-N -2 3 193.202 1.284 20 30 ADEDHL