smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+]CC[NH2+]Cc1cccc(O)c1C[NH2+]CC[NH3+] ZINC000033611493 181397352 /nfs/dbraw/zinc/39/73/52/181397352.db2.gz CGMOQQQFLMKYAH-UHFFFAOYSA-N 4 2 238.335 -0.511 10 10 BBCELP [NH3+]CCNCc1cccc(O)c1C[NH2+]CC[NH3+] ZINC000033611493 181397348 /nfs/dbraw/zinc/39/73/48/181397348.db2.gz CGMOQQQFLMKYAH-UHFFFAOYSA-N 4 2 238.335 -0.511 10 10 BBCELP