0 B7R0.10 CCC(=O)C(O)CC 1458a_100011196387_100000210202 [0,0,0,0,0,0|2,0,2]=4 1 B7R0.10 CCC(=O)C(O)CO 1458a_100011215603_100000210202 [0,0,0,0,0,0|1,1,2]=4 2 B7R0.10 CCC(O)C(=O)CF 1458a_100011196387_100015361967 [0,0,0,0,0,0|2,0,2]=4 3 B7R0.10 O=C(CF)C(O)CO 1458a_100011215603_100015361967 [0,0,0,0,0,0|1,1,2]=4 4 B6R0.1 CCC(O)CNC 2230a_100011218483_200000210301 [1,0,0,0,0,0|3,0,0]=4 5 B6R0.1 CCC(O)CNC 2230a_106832991635_100011218378 [1,0,0,0,0,0|3,0,0]=4 6 B6R0.1 CCC(O)CNC 34a_100102657272_100011218378 [1,0,0,0,0,0|3,0,0]=4 7 B6R0.1 CCC(O)CNC 7a_106832991635_100011218378 [1,0,0,0,0,0|3,0,0]=4 8 B6R0.1 CCC(O)CN[13CH3] 2230a_100011218483_200025704644 [1,0,0,0,0,0|3,0,0]=4 9 B6R0.1 CCC(O)COC 34a_100138415774_100011218378 [1,0,0,0,0,0|3,0,0]=4 10 B6R0.1 CCC(O)CSC 62a_100011218378_200000210301 [1,0,0,0,0,0|3,0,0]=4 11 B6R0.1 CCC(O)CSC 62a_200000210301_100011218378 [1,0,0,0,0,0|3,0,0]=4 12 B6R0.1 CCC(O)CS[13CH3] 62a_100011218378_200025704644 [1,0,0,0,0,0|3,0,0]=4 13 B6R0.1 CCC(O)CS[13CH3] 62a_200025704644_100011218378 [1,0,0,0,0,0|3,0,0]=4 14 B6R0.1 CNCC(O)CO 2230a_106832991635_100011219619 [1,0,0,0,0,0|2,1,0]=4 15 B6R0.1 CNCC(O)CO 34a_100102657272_100011219619 [1,0,0,0,0,0|2,1,0]=4 16 B6R0.1 CNCC(O)CO 7a_106832991635_100011219619 [1,0,0,0,0,0|2,1,0]=4 17 B6R0.1 CNC[C@@H](O)CF 2230a_106832991635_100015614560 [1,0,0,0,0,0|3,0,0]=4 18 B6R0.1 CNC[C@@H](O)CF 34a_100102657272_100015614560 [1,0,0,0,0,0|3,0,0]=4 19 B6R0.1 CNC[C@@H](O)CF 7a_106832991635_100015614560 [1,0,0,0,0,0|3,0,0]=4 20 B6R0.1 CNC[C@@H](O)CO 2230a_106832991635_100009815848 [1,0,0,0,0,0|2,1,0]=4 21 B6R0.1 CNC[C@@H](O)CO 34a_100102657272_100009815848 [1,0,0,0,0,0|2,1,0]=4 22 B6R0.1 CNC[C@@H](O)CO 7a_106832991635_100009815848 [1,0,0,0,0,0|2,1,0]=4 23 B6R0.1 CNC[C@H](O)CO 2230a_100020644852_200000210301 [1,0,0,0,0,0|2,1,0]=4 24 B6R0.1 COCC(O)CO 34a_100138415774_100011219619 [1,0,0,0,0,0|2,1,0]=4 25 B6R0.1 COC[C@@H](O)CF 34a_100138415774_100015614560 [1,0,0,0,0,0|3,0,0]=4 26 B6R0.1 COC[C@@H](O)CO 34a_100138415774_100009815848 [1,0,0,0,0,0|2,1,0]=4 27 B6R0.1 CSCC(O)CO 62a_100011219619_200000210301 [1,0,0,0,0,0|2,1,0]=4 28 B6R0.1 CSCC(O)CO 62a_200000210301_100011219619 [1,0,0,0,0,0|2,1,0]=4 29 B6R0.1 CSC[C@@H](O)CF 62a_100015614560_200000210301 [1,0,0,0,0,0|3,0,0]=4 30 B6R0.1 CSC[C@@H](O)CF 62a_200000210301_100015614560 [1,0,0,0,0,0|3,0,0]=4 31 B6R0.1 CSC[C@@H](O)CO 62a_100009815848_200000210301 [1,0,0,0,0,0|2,1,0]=4 32 B6R0.1 CSC[C@@H](O)CO 62a_200000210301_100009815848 [1,0,0,0,0,0|2,1,0]=4 33 B6R0.1 [13CH3]NC[C@H](O)CO 2230a_100020644852_200025704644 [1,0,0,0,0,0|2,1,0]=4 34 B6R0.1 [13CH3]SCC(O)CO 62a_100011219619_200025704644 [1,0,0,0,0,0|2,1,0]=4 35 B6R0.1 [13CH3]SCC(O)CO 62a_200025704644_100011219619 [1,0,0,0,0,0|2,1,0]=4 36 B6R0.1 [13CH3]SC[C@@H](O)CF 62a_100015614560_200025704644 [1,0,0,0,0,0|3,0,0]=4 37 B6R0.1 [13CH3]SC[C@@H](O)CF 62a_200025704644_100015614560 [1,0,0,0,0,0|3,0,0]=4 38 B6R0.1 [13CH3]SC[C@@H](O)CO 62a_100009815848_200025704644 [1,0,0,0,0,0|2,1,0]=4 39 B6R0.1 [13CH3]SC[C@@H](O)CO 62a_200025704644_100009815848 [1,0,0,0,0,0|2,1,0]=4 40 B6R0.3 CC(=O)C(O)CO 1458a_100011215603_200000210301 [1,0,0,0,0,0|0,1,2]=4 41 B6R0.3 CCC(=O)[C@@H](C)O 1458a_100000717761_100000210202 [1,0,0,0,0,0|1,0,2]=4 42 B6R0.3 CCC(=O)[C@H](C)O 1458a_217856618621_100000210202 [1,0,0,0,0,0|1,0,2]=4 43 B6R0.3 CCC(O)C(=O)C 1458a_100011196387_200000210301 [1,0,0,0,0,0|1,0,2]=4 44 B6R0.3 CCC(O)C(=O)[13CH3] 1458a_100011196387_200025704644 [1,0,0,0,0,0|1,0,2]=4 45 B6R0.3 C[C@@H](O)C(=O)CF 1458a_100000717761_100015361967 [1,0,0,0,0,0|1,0,2]=4 46 B6R0.3 C[C@H](O)C(=O)CF 1458a_217856618621_100015361967 [1,0,0,0,0,0|1,0,2]=4 47 B6R0.3 [13CH3]C(=O)C(O)CO 1458a_100011215603_200025704644 [1,0,0,0,0,0|0,1,2]=4 48 B8R0.2 CC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_200000210301 [0,1,0,0,0,0|0,2,1]=4 49 B8R0.2 [13CH3]C(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_200025704644 [0,1,0,0,0,0|0,2,1]=4 50 B5R0.1 CC(O)CN[13CH3] 2230a_100000210904_200025704644 [2,0,0,0,0,0|2,0,0]=4 51 B5R0.1 CC(O)CN[13CH3] 34a_100000210904_200025704644 [2,0,0,0,0,0|2,0,0]=4 52 B5R0.1 CC(O)CS[13CH3] 62a_100011218427_200025704644 [2,0,0,0,0,0|2,0,0]=4 53 B5R0.1 CC(O)CS[13CH3] 62a_200025704644_100011218427 [2,0,0,0,0,0|2,0,0]=4 54 B5R0.1 CNCC(C)O 2230a_100000210904_200000210301 [2,0,0,0,0,0|2,0,0]=4 55 B5R0.1 CNCC(C)O 2230a_106832991635_100011218427 [2,0,0,0,0,0|2,0,0]=4 56 B5R0.1 CNCC(C)O 34a_100000210904_200000210301 [2,0,0,0,0,0|2,0,0]=4 57 B5R0.1 CNCC(C)O 34a_100102657272_100011218427 [2,0,0,0,0,0|2,0,0]=4 58 B5R0.1 CNCC(C)O 7a_106832991635_100011218427 [2,0,0,0,0,0|2,0,0]=4 59 B5R0.1 CNC[C@@H](C)O 2230a_106832991635_100009817552 [2,0,0,0,0,0|2,0,0]=4 60 B5R0.1 CNC[C@@H](C)O 34a_100102657272_100009817552 [2,0,0,0,0,0|2,0,0]=4 61 B5R0.1 CNC[C@@H](C)O 7a_106832991635_100009817552 [2,0,0,0,0,0|2,0,0]=4 62 B5R0.1 COCC(C)O 34a_100138415774_100011218427 [2,0,0,0,0,0|2,0,0]=4 63 B5R0.1 COC[C@@H](C)O 34a_100138415774_100009817552 [2,0,0,0,0,0|2,0,0]=4 64 B5R0.1 CSCC(C)O 62a_100011218427_200000210301 [2,0,0,0,0,0|2,0,0]=4 65 B5R0.1 CSCC(C)O 62a_200000210301_100011218427 [2,0,0,0,0,0|2,0,0]=4 66 B5R0.1 CSC[C@@H](C)O 62a_100009817552_200000210301 [2,0,0,0,0,0|2,0,0]=4 67 B5R0.1 CSC[C@@H](C)O 62a_200000210301_100009817552 [2,0,0,0,0,0|2,0,0]=4 68 B5R0.1 C[C@@H](O)CS[13CH3] 62a_100009817552_200025704644 [2,0,0,0,0,0|2,0,0]=4 69 B5R0.1 C[C@@H](O)CS[13CH3] 62a_200025704644_100009817552 [2,0,0,0,0,0|2,0,0]=4 70 B5R0.5 CC(=O)[C@@H](C)O 1458a_100000717761_200000210301 [2,0,0,0,0,0|0,0,2]=4 71 B5R0.5 CC(=O)[C@H](C)O 1458a_217856618621_200000210301 [2,0,0,0,0,0|0,0,2]=4 72 B5R0.5 C[C@@H](O)C(=O)[13CH3] 1458a_100000717761_200025704644 [2,0,0,0,0,0|0,0,2]=4 73 B5R0.5 C[C@H](O)C(=O)[13CH3] 1458a_217856618621_200025704644 [2,0,0,0,0,0|0,0,2]=4 74 B7R0.3 CCC(O)CSCF 62a_100011218378_100015361967 [1,1,0,0,0,0|2,0,0]=4 75 B7R0.3 CCC(O)CSCF 62a_100015361967_100011218378 [1,1,0,0,0,0|2,0,0]=4 76 B7R0.3 CCNCC(O)CC 2230a_100011218483_100000210202 [1,1,0,0,0,0|2,0,0]=4 77 B7R0.3 CCNCC(O)CC 2230a_100015525214_100011218378 [1,1,0,0,0,0|2,0,0]=4 78 B7R0.3 CCNCC(O)CO 2230a_100015525214_100011219619 [1,1,0,0,0,0|1,1,0]=4 79 B7R0.3 CCNC[C@@H](O)CF 2230a_100015525214_100015614560 [1,1,0,0,0,0|2,0,0]=4 80 B7R0.3 CCNC[C@@H](O)CO 2230a_100015525214_100009815848 [1,1,0,0,0,0|1,1,0]=4 81 B7R0.3 CCNC[C@H](O)CO 2230a_100020644852_100000210202 [1,1,0,0,0,0|1,1,0]=4 82 B7R0.3 CCOCC(O)CC 34a_100121572206_100011218378 [1,1,0,0,0,0|2,0,0]=4 83 B7R0.3 CCOCC(O)CO 34a_100121572206_100011219619 [1,1,0,0,0,0|1,1,0]=4 84 B7R0.3 CCOC[C@@H](O)CF 34a_100121572206_100015614560 [1,1,0,0,0,0|2,0,0]=4 85 B7R0.3 CCOC[C@@H](O)CO 34a_100121572206_100009815848 [1,1,0,0,0,0|1,1,0]=4 86 B7R0.3 CCSCC(O)CC 62a_100000210202_100011218378 [1,1,0,0,0,0|2,0,0]=4 87 B7R0.3 CCSCC(O)CC 62a_100011218378_100000210202 [1,1,0,0,0,0|2,0,0]=4 88 B7R0.3 CCSCC(O)CO 62a_100000210202_100011219619 [1,1,0,0,0,0|1,1,0]=4 89 B7R0.3 CCSCC(O)CO 62a_100011219619_100000210202 [1,1,0,0,0,0|1,1,0]=4 90 B7R0.3 CCSC[C@@H](O)CF 62a_100000210202_100015614560 [1,1,0,0,0,0|2,0,0]=4 91 B7R0.3 CCSC[C@@H](O)CF 62a_100015614560_100000210202 [1,1,0,0,0,0|2,0,0]=4 92 B7R0.3 CCSC[C@@H](O)CO 62a_100000210202_100009815848 [1,1,0,0,0,0|1,1,0]=4 93 B7R0.3 CCSC[C@@H](O)CO 62a_100009815848_100000210202 [1,1,0,0,0,0|1,1,0]=4 94 B7R0.3 OCC(O)CSCF 62a_100011219619_100015361967 [1,1,0,0,0,0|1,1,0]=4 95 B7R0.3 OCC(O)CSCF 62a_100015361967_100011219619 [1,1,0,0,0,0|1,1,0]=4 96 B7R0.3 OC[C@H](O)CSCF 62a_100009815848_100015361967 [1,1,0,0,0,0|1,1,0]=4 97 B7R0.3 OC[C@H](O)CSCF 62a_100015361967_100009815848 [1,1,0,0,0,0|1,1,0]=4 98 B7R0.3 O[C@@H](CF)CSCF 62a_100015361967_100015614560 [1,1,0,0,0,0|2,0,0]=4 99 B7R0.3 O[C@@H](CF)CSCF 62a_100015614560_100015361967 [1,1,0,0,0,0|2,0,0]=4 100 B7R0.7 CCCC(C)CSC 62a_100011216630_200000210301 [1,1,0,0,0,0|2,0,0]=4 101 B7R0.7 CCCC(C)CSC 62a_200000210301_100011216630 [1,1,0,0,0,0|2,0,0]=4 102 B7R0.7 CCCC(C)CS[13CH3] 62a_100011216630_200025704644 [1,1,0,0,0,0|2,0,0]=4 103 B7R0.7 CCCC(C)CS[13CH3] 62a_200025704644_100011216630 [1,1,0,0,0,0|2,0,0]=4 104 B7R0.7 COCC(O)CSC 62a_100011215053_200000210301 [1,1,0,0,0,0|2,0,0]=4 105 B7R0.7 COCC(O)CSC 62a_200000210301_100011215053 [1,1,0,0,0,0|2,0,0]=4 106 B7R0.7 COCC(O)CS[13CH3] 62a_100011215053_200025704644 [1,1,0,0,0,0|2,0,0]=4 107 B7R0.7 COCC(O)CS[13CH3] 62a_200025704644_100011215053 [1,1,0,0,0,0|2,0,0]=4 108 B7R0.7 CSC[C@@H](O)CC#N 62a_100000001066_200000210301 [1,1,0,0,0,0|1,0,1]=4 109 B7R0.7 CSC[C@@H](O)CC#N 62a_200000210301_100000001066 [1,1,0,0,0,0|1,0,1]=4 110 B7R0.7 [13CH3]SC[C@@H](O)CC#N 62a_100000001066_200025704644 [1,1,0,0,0,0|1,0,1]=4 111 B7R0.7 [13CH3]SC[C@@H](O)CC#N 62a_200025704644_100000001066 [1,1,0,0,0,0|1,0,1]=4 112 B7R0.12 CCCC(CC)OC 34a_100000687864_200000210301 [1,1,0,0,0,0|2,0,0]=4 113 B7R0.12 CCCC(CC)OC 7a_100000687864_200000210301 [1,1,0,0,0,0|2,0,0]=4 114 B7R0.12 CCCC(CC)O[13CH3] 34a_100000687864_200025704644 [1,1,0,0,0,0|2,0,0]=4 115 B7R0.12 CCCC(CC)O[13CH3] 7a_100000687864_200025704644 [1,1,0,0,0,0|2,0,0]=4 116 B7R0.15 CC(C)C(CN)O[13CH3] 34a_100000759067_200025704644 [1,1,0,0,0,0|2,0,0]=4 117 B7R0.15 CCC(OC)C(C)C 34a_100011218073_200000210301 [1,1,0,0,0,0|2,0,0]=4 118 B7R0.15 CCC(OC)C(C)C 7a_100011218073_200000210301 [1,1,0,0,0,0|2,0,0]=4 119 B7R0.15 CCC(O[13CH3])C(C)C 34a_100011218073_200025704644 [1,1,0,0,0,0|2,0,0]=4 120 B7R0.15 CCC(O[13CH3])C(C)C 7a_100011218073_200025704644 [1,1,0,0,0,0|2,0,0]=4 121 B7R0.15 CC[C@H](NC)[C@@H](C)O 2230a_100161114882_200000210301 [1,1,0,0,0,0|2,0,0]=4 122 B7R0.15 CC[C@H](NC)[C@@H](C)O 34a_100161114882_200000210301 [1,1,0,0,0,0|2,0,0]=4 123 B7R0.15 CC[C@H](N[13CH3])[C@@H](C)O 2230a_100161114882_200025704644 [1,1,0,0,0,0|2,0,0]=4 124 B7R0.15 CC[C@H](N[13CH3])[C@@H](C)O 34a_100161114882_200025704644 [1,1,0,0,0,0|2,0,0]=4 125 B7R0.15 CN[C@H](CO)[C@@H](C)O 2230a_100015196842_200000210301 [1,1,0,0,0,0|1,1,0]=4 126 B7R0.15 CN[C@H](CO)[C@@H](C)O 34a_100015196842_200000210301 [1,1,0,0,0,0|1,1,0]=4 127 B7R0.15 COC(CN)C(C)C 34a_100000759067_200000210301 [1,1,0,0,0,0|2,0,0]=4 128 B7R0.15 C[C@@H](O)[C@@H](CO)N[13CH3] 2230a_100015196842_200025704644 [1,1,0,0,0,0|1,1,0]=4 129 B7R0.15 C[C@@H](O)[C@@H](CO)N[13CH3] 34a_100015196842_200025704644 [1,1,0,0,0,0|1,1,0]=4 130 B9R1.15 COC1CCCCC1O 34a_100138415774_100000038908 [0,1,0,1,0,0|2,0,0]=4