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CCCC(C)NC(CO)CO 2230a_100000759517_100000766640 [0,0,1,0,0,0|3,0,0]=4 13 B10R0.34 CC[C@@H](CO)NC(C)CCO 2230a_100000709445_100009893172 [0,0,1,0,0,0|3,0,0]=4 14 B10R0.34 O=C(CCO)NC(CO)CO 240690a_100000759517_100011216618 [0,0,1,0,0,0|1,0,2]=4 15 B10R0.35 CC(CCO)C(=O)C(O)CO 1458a_100011215603_100009893172 [0,0,1,0,0,0|1,0,2]=4 16 B10R0.35 CCCC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_100000210303 [0,0,1,0,0,0|1,0,2]=4 17 B10R0.35 O=C(CCF)[C@H](O)[C@H](O)CO 1458a_100015448053_100011217306 [0,0,1,0,0,0|1,0,2]=4 18 B10R0.35 O=C(CCO)[C@H](O)[C@H](O)CO 1458a_100015448053_100000211926 [0,0,1,0,0,0|0,0,2]=3 19 B9R0.4 CC(C)CC(C)OCCO 34a_100000211805_100000211926 [1,0,1,0,0,0|2,0,0]=4 20 B9R0.4 CC(C)CC(C)OCCO 7a_100000211805_100000211926 [1,0,1,0,0,0|2,0,0]=4 21 B9R0.18 CC(CCCCl)OCCO 34a_200000718107_100000211926 [1,0,1,0,0,0|2,0,0]=4 22 B9R0.18 CC(CCCCl)OCCO 7a_200000718107_100000211926 [1,0,1,0,0,0|2,0,0]=4 23 B9R0.18 CCCCC(C)OCCO 34a_100000687866_100000211926 [1,0,1,0,0,0|2,0,0]=4 24 B9R0.18 CCCCC(C)OCCO 7a_100000687866_100000211926 [1,0,1,0,0,0|2,0,0]=4 25 B9R0.34 CC(CCO)N[C@H](C)CO 2230a_100000737577_100009893172 [1,0,1,0,0,0|2,0,0]=4 26 B9R0.34 CC(CCO)S[C@H](C)CO 62a_100009893172_100016084084 [1,0,1,0,0,0|1,1,0]=4 27 B9R0.34 CC(CCO)S[C@H](C)CO 62a_100016084084_100009893172 [1,0,1,0,0,0|1,1,0]=4 28 B9R0.34 CC(CF)OC(C)CCO 34a_100016041109_100009893172 [1,0,1,0,0,0|2,0,0]=4 29 B9R0.34 CC(CF)OC(C)CCO 7a_100016041109_100009893172 [1,0,1,0,0,0|2,0,0]=4 30 B9R0.34 CC(CN)OC(C)CCO 34a_100000210904_100009893172 [1,0,1,0,0,0|2,0,0]=4 31 B9R0.34 CC(CO)N[C@H](C)CCO 2230a_100000706166_100012180447 [1,0,1,0,0,0|2,0,0]=4 32 B9R0.34 CC(CO)N[C@H](C)CCO 34a_100000706166_100012180447 [1,0,1,0,0,0|2,0,0]=4 33 B9R0.34 CC(CO)OC(C)CCBr 34a_100012276601_100012180447 [1,0,1,0,0,0|2,0,0]=4 34 B9R0.34 CC(CO)SC(C)CCO 62a_100012180447_100009893172 [1,0,1,0,0,0|1,1,0]=4 35 B9R0.34 CCC(C)OC(C)CCO 7a_100000210228_100009893172 [1,0,1,0,0,0|2,0,0]=4 36 B9R0.34 CCCC(C)OC(C)CO 34a_100000764384_100012180447 [1,0,1,0,0,0|2,0,0]=4 37 B9R0.34 CCCC(C)OC(C)CO 7a_100000764384_100012180447 [1,0,1,0,0,0|2,0,0]=4 38 B9R0.34 CN(CCO)CC(O)CO 2230a_100000210263_100011219619 [1,0,1,0,0,0|2,0,0]=4 39 B9R0.34 CN(CCO)CC(O)CO 2230a_100011216503_100000211926 [1,0,1,0,0,0|2,0,0]=4 40 B9R0.34 CN(CCO)CC(O)CO 269982a_100011216503_100000211926 [1,0,1,0,0,0|2,0,0]=4 41 B9R0.34 CN(CCO)C[C@@H](O)CO 2230a_100000210263_100009815848 [1,0,1,0,0,0|2,0,0]=4 42 B9R0.46 CC(CO)CCNCCO 2230a_106354213184_100000211926 [1,0,1,0,0,0|2,0,0]=4 43 B9R0.46 CC(CO)CCNCCO 34a_106354213184_100000211926 [1,0,1,0,0,0|2,0,0]=4 44 B9R0.46 CCC(C)CCOCCO 7a_100011215188_100000211926 [1,0,1,0,0,0|2,0,0]=4 45 B9R0.46 O=C(CO)CCOCCO 1458a_100000210174_100011215305 [1,0,1,0,0,0|0,0,2]=4 46 B9R0.46 OCCCNC[C@H](O)CO 2230a_100020644852_100000230001 [1,0,1,0,0,0|2,0,0]=4 47 B9R0.46 OCCCSCC(O)CO 62a_100011215043_100011219619 [1,0,1,0,0,0|2,0,0]=4 48 B9R0.46 OCCCSCC(O)CO 62a_100011219619_100011215043 [1,0,1,0,0,0|2,0,0]=4 49 B9R0.46 OCCCSC[C@@H](O)CO 62a_100009815848_100011215043 [1,0,1,0,0,0|2,0,0]=4 50 B9R0.46 OCCCSC[C@@H](O)CO 62a_100011215043_100009815848 [1,0,1,0,0,0|2,0,0]=4 51 B9R0.26 CC(CO)NC(CO)CO 2230a_100000759517_100012180447 [1,0,1,0,0,0|2,0,0]=4 52 B9R0.26 CCC(C)NC(CO)CO 2230a_100000759517_100000758301 [1,0,1,0,0,0|2,0,0]=4 53 B9R0.50 CCC(CC)OCCCO 7a_100000688536_100011215043 [1,0,1,0,0,0|2,0,0]=4 54 B9R0.50 CCCCNC(CO)CO 2230a_100000759517_100000210211 [1,0,1,0,0,0|2,0,0]=4 55 B9R0.50 CC[C@@H](CO)NCCCO 2230a_100000709445_100000230001 [1,0,1,0,0,0|2,0,0]=4 56 B9R0.50 NCC(CN)OCCCO 34a_100000031598_100000230001 [1,0,1,0,0,0|2,0,0]=4 57 B9R0.50 OCC(CO)NCCCF 2230a_100000759517_100011934791 [1,0,1,0,0,0|2,0,0]=4 58 B9R0.50 OCCCNC(CO)CO 2230a_100000759517_100000230001 [1,0,1,0,0,0|1,0,0]=3 59 B9R0.50 OCCCOC(CCl)CCl 7a_100000737055_100011215043 [1,0,1,0,0,0|2,0,0]=4 60 B9R0.50 OCCCOC(CF)CF 34a_100000032261_100000230001 [1,0,1,0,0,0|2,0,0]=4 61 B9R0.50 OCCCOC(CF)CF 7a_100000032261_100011215043 [1,0,1,0,0,0|2,0,0]=4 62 B9R0.50 OCCCO[C@@H](CF)CCl 34a_100015614560_100000230001 [1,0,1,0,0,0|2,0,0]=4 63 B9R0.50 OCCCO[C@@H](CF)CCl 7a_100015614560_100011215043 [1,0,1,0,0,0|2,0,0]=4 64 B9R0.8 O=C(CCCO)C(O)CO 1458a_100011215603_100011215043 [1,0,1,0,0,0|0,0,2]=4 65 B9R0.27 CCC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_100000210202 [1,0,1,0,0,0|0,0,2]=4 66 B9R0.39 CC(C)N[C@H](CO)[C@@H](C)O 2230a_100015196842_100000210206 [1,0,1,0,0,0|2,0,0]=4 67 B9R0.39 CC(C)N[C@H](CO)[C@@H](C)O 34a_100015196842_100000210206 [1,0,1,0,0,0|2,0,0]=4 68 B9R1.2 CN1CCO[C@@H](C1)CO 2230a_100015189573_200000210301 [2,0,0,0,0,0|2,0,0]=4 69 B9R1.2 CN1CCO[C@@H](C1)CO 269982a_100015189573_200000210301 [2,0,0,0,0,0|2,0,0]=4 70 B9R1.2 CN1CCO[C@@H](C1)CO 34a_100015189573_200000210301 [2,0,0,0,0,0|2,0,0]=4 71 B9R1.2 [13CH3]N1CCO[C@@H](C1)CO 2230a_100015189573_200025704644 [2,0,0,0,0,0|2,0,0]=4 72 B9R1.2 [13CH3]N1CCO[C@@H](C1)CO 269982a_100015189573_200025704644 [2,0,0,0,0,0|2,0,0]=4 73 B9R1.2 [13CH3]N1CCO[C@@H](C1)CO 34a_100015189573_200025704644 [2,0,0,0,0,0|2,0,0]=4 74 B11R0.55 CC(CCO)N[C@H](CO)[C@@H](C)O 2230a_100015196842_100009893172 [0,1,1,0,0,0|2,0,0]=4 75 B11R0.55 CC(CCO)N[C@H](CO)[C@@H](C)O 34a_100015196842_100009893172 [0,1,1,0,0,0|2,0,0]=4 76 B11R0.182 CCC(COC)OC(C)CCO 7a_200011214946_100009893172 [0,1,1,0,0,0|2,0,0]=4 77 B11R0.182 COCC(CCl)OC(C)CCO 34a_100011215053_100009893172 [0,1,1,0,0,0|2,0,0]=4 78 B11R0.182 COCC(CN)OC(C)CCO 34a_100000756049_100009893172 [0,1,1,0,0,0|2,0,0]=4 79 B11R0.182 COCC(CO)NC(C)CCO 2230a_100000724102_100009893172 [0,1,1,0,0,0|2,0,0]=4 80 B11R0.182 COCC(CO)NC(C)CCO 34a_100000724102_100009893172 [0,1,1,0,0,0|2,0,0]=4 81 B11R1.977 CN[C@@H]1C[C@@H]([C@H]([C@H]1O)O)CO 2230a_100015190309_200000210301 [0,1,0,0,1,0|2,0,0]=4 82 B11R1.977 [13CH3]N[C@@H]1C[C@@H]([C@H]([C@H]1O)O)CO 2230a_100015190309_200025704644 [0,1,0,0,1,0|2,0,0]=4 83 B13R1.2811 CC(=O)C1O[C@H]([C@H](C([C@@H]1O)O)O)O 1458a_106744596647_200000210301 [0,2,0,0,0,0|0,0,2]=4 84 B13R1.2811 [13CH3]C(=O)C1O[C@H]([C@H](C([C@@H]1O)O)O)O 1458a_106744596647_200025704644 [0,2,0,0,0,0|0,0,2]=4 85 B11R1.30 CC(CCO)O[C@H]1CCOC1 34a_100000717292_100009893172 [0,0,1,1,0,0|2,0,0]=4 86 B11R1.84 OCC(CO)NC1CCOC1 2230a_100000759517_100000731011 [0,0,1,1,0,0|2,0,0]=4 87 B9R1.22 CN1C[C@@H](C[C@H]1CO)O 2230a_100000707816_200000210301 [1,0,0,0,1,0|2,0,0]=4 88 B9R1.22 CN1C[C@@H](C[C@H]1CO)O 269982a_100000707816_200000210301 [1,0,0,0,1,0|2,0,0]=4 89 B9R1.22 [13CH3]N1C[C@@H](C[C@H]1CO)O 2230a_100000707816_200025704644 [1,0,0,0,1,0|2,0,0]=4 90 B9R1.22 [13CH3]N1C[C@@H](C[C@H]1CO)O 269982a_100000707816_200025704644 [1,0,0,0,1,0|2,0,0]=4