smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3ccc(C#N)s3)CC2)cs1 ZINC000134927115 1080807437 /nfs/dbraw/zinc/80/74/37/1080807437.db2.gz OJNLONSLGDDUED-AWEZNQCLSA-N 2 1 374.579 4.201 10 30 FIEEMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3ccc(C#N)s3)CC2)cs1 ZINC000134927135 1080804686 /nfs/dbraw/zinc/80/46/86/1080804686.db2.gz OJNLONSLGDDUED-CQSZACIVSA-N 2 1 374.579 4.201 10 30 FIEEMP