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2.5561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -7.1897    3.3530    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -7.9866    3.5665    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0\n   -8.7835    3.7800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -9.3668    3.1967    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0\n   -9.9502    3.7800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -8.7835    2.6133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -9.9502    2.6133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -8.2001    2.7696    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -7.7730    4.3634    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  2  0\n  2  3  1  0\n  3  4  2  0\n  4  5  1  0\n  5  6  2  0\n  1  6  1  0\n  3  7  1  0\n  4  8  1  0\n  8  9  1  6\n  8 10  1  0\n 10 11  1  0\n 12 13  2  0\n 13 14  1  0\n 14 15  2  0\n 15 16  1  0\n 16 11  2  0\n 12 11  1  0\n 15 17  1  0\n 18 19  1  0\n 19 20  2  0\n 12 20  1  0\n 13 18  1  0\n 21 18  1  1\n 22 23  1  0\n 23 24  1  0\n 24 25  1  0\n 25 21  1  0\n 22 21  1  0\n 25 26  1  6\n 24 27  1  6\n 23 28  1  1\n 28 29  1  0\n 29 30  1  0\n 30 31  1  0\n 31 32  1  0\n 32 33  1  0\n 32 34  2  0\n 32 35  1  0\n 30 36  2  0\n 30 37  1  0\nM  END\n> <chembl_id>\nCHEMBL4471306\n\n> <chembl_pref_name>\nQUEMLICLUSTAT","standard_inchi":"InChI=1S/C20H24ClFN4O9P2/c1-10(11-4-2-3-5-13(11)22)24-14-6-16(21)25-19-12(14)7-23-26(19)20-18(28)17(27)15(35-20)8-34-37(32,33)9-36(29,30)31/h2-7,10,15,17-18,20,27-28H,8-9H2,1H3,(H,24,25)(H,32,33)(H2,29,30,31)/t10-,15+,17+,18+,20+/m0/s1","standard_inchi_key":"MFYLCAMJNGIULC-KCVUFLITSA-N"},"molecule_synonyms":[{"molecule_synonym":"AB-680","syn_type":"PND","synonyms":"AB-680"},{"molecule_synonym":"AB-680","syn_type":"RESEARCH_CODE","synonyms":"AB-680"},{"molecule_synonym":"Ab680","syn_type":"OTHER","synonyms":"AB680"},{"molecule_synonym":"AB680","syn_type":"PND","synonyms":"AB680"},{"molecule_synonym":"AB680","syn_type":"RESEARCH_CODE","synonyms":"AB680"},{"molecule_synonym":"COMPOUND 55","syn_type":"PND","synonyms":"Compound 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