smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(NC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)[C@@H](N)CCCNC(N)=[NH2+])cc2ccccc21 ZINC000025668109 556229049 /nfs/dbraw/zinc/22/90/49/556229049.db2.gz SYEDKPVXKRDNKP-ZWKOTPCHSA-N 2 1 485.593 -0.294 50 30 JBEAMP COc1cc(NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](N)CCCNC(N)=[NH2+])cc2ccccc21 ZINC000035189470 569677819 /nfs/dbraw/zinc/67/78/19/569677819.db2.gz SYEDKPVXKRDNKP-MSOLQXFVSA-N 2 1 485.593 -0.294 50 30 JBEAMP