smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](C)CCNC(=O)c1cccc2c(Nc3cc(N)cc(CO)c3)c3ccccc3[nH+]c12 ZINC000027524641 563043084 /nfs/dbraw/zinc/04/30/84/563043084.db2.gz MLRHVSWPLFBHCU-UHFFFAOYSA-N 2 1 429.524 3.498 1 10 IGCFMP CCOC(=O)[C@@H]1Cc2cc(Cc3cc(C[NH3+])c(O)c(C[NH3+])c3)c(Cl)c(Cl)c2O1 ZINC000027653833 563045253 /nfs/dbraw/zinc/04/52/53/563045253.db2.gz KWFPYBMKTQYIMI-HNNXBMFYSA-N 2 1 425.312 3.074 1 10 IGCFMP CCOC(=O)[C@H]1Cc2cc(Cc3cc(C[NH3+])c(O)c(C[NH3+])c3)c(Cl)c(Cl)c2O1 ZINC000027653837 563045235 /nfs/dbraw/zinc/04/52/35/563045235.db2.gz KWFPYBMKTQYIMI-OAHLLOKOSA-N 2 1 425.312 3.074 1 10 IGCFMP