0 B5R0.1 C#CCC(=O)C 1458a_100000070787_100000184674 [0,0,0,0,0,0|2,0,2]=4 1 B5R0.1 C#CCC(=O)C 1458a_100011220946_200000210301 [0,0,0,0,0,0|2,0,2]=4 2 B5R0.1 C#CCC(=O)[13CH3] 1458a_100011220946_200025704644 [0,0,0,0,0,0|2,0,2]=4 3 B5R0.1 C#CCN(C)C 2230a_100000225692_200000210301 [0,0,0,0,0,0|2,0,2]=4 4 B5R0.1 C#CCN(C)C 2230a_100102631434_100000038162 [0,0,0,0,0,0|2,0,2]=4 5 B5R0.1 C#CCN(C)C 34a_100000225692_200000210301 [0,0,0,0,0,0|2,0,2]=4 6 B5R0.1 C#CCN(C)[13CH3] 2230a_100000225692_200025704644 [0,0,0,0,0,0|2,0,2]=4 7 B5R0.1 C#CCN(C)[13CH3] 34a_100000225692_200025704644 [0,0,0,0,0,0|2,0,2]=4 8 B5R0.1 C=C(C)CNC 2230a_106832991635_100000748629 [0,0,0,0,0,0|2,0,2]=4 9 B5R0.1 C=C(C)CNC 34a_100102657272_100000748629 [0,0,0,0,0,0|2,0,2]=4 10 B5R0.1 C=C(C)CNC 7a_106832991635_100000748629 [0,0,0,0,0,0|2,0,2]=4 11 B5R0.1 C=C(C)COC 34a_100000210245_200000210301 [0,0,0,0,0,0|2,0,2]=4 12 B5R0.1 C=C(C)COC 34a_100138415774_100000748629 [0,0,0,0,0,0|2,0,2]=4 13 B5R0.1 C=C(C)CO[13CH3] 34a_100000210245_200025704644 [0,0,0,0,0,0|2,0,2]=4 14 B5R0.1 C=C(C)CSC 62a_100000748629_200000210301 [0,0,0,0,0,0|2,0,2]=4 15 B5R0.1 C=C(C)CSC 62a_200000210301_100000211660 [0,0,0,0,0,0|2,0,2]=4 16 B5R0.1 C=C(C)CS[13CH3] 62a_100000748629_200025704644 [0,0,0,0,0,0|2,0,2]=4 17 B5R0.1 C=C(C)CS[13CH3] 62a_200025704644_100000211660 [0,0,0,0,0,0|2,0,2]=4 18 B5R0.1 C=CCC(=O)C 1458a_100000070787_100000210623 [0,0,0,0,0,0|2,0,2]=4 19 B5R0.1 C=CCC(=O)C 1458a_100000210193_200000210301 [0,0,0,0,0,0|2,0,2]=4 20 B5R0.1 C=CCC(=O)[13CH3] 1458a_100000210193_200025704644 [0,0,0,0,0,0|2,0,2]=4 21 B5R0.1 C=CCN(C)C 2230a_100000225617_200000210301 [0,0,0,0,0,0|2,0,2]=4 22 B5R0.1 C=CCN(C)C 2230a_100102631434_100000210623 [0,0,0,0,0,0|2,0,2]=4 23 B5R0.1 C=CCN(C)C 269982a_100000225617_200000210301 [0,0,0,0,0,0|2,0,2]=4 24 B5R0.1 C=CCN(C)C 269982a_100102631434_100000210623 [0,0,0,0,0,0|2,0,2]=4 25 B5R0.1 C=CCN(C)[13CH3] 2230a_100000225617_200025704644 [0,0,0,0,0,0|2,0,2]=4 26 B5R0.1 C=CCN(C)[13CH3] 269982a_100000225617_200025704644 [0,0,0,0,0,0|2,0,2]=4 27 B5R0.1 CC#CC(=O)C 1458a_100000763181_200000210301 [0,0,0,0,0,0|2,0,2]=4 28 B5R0.1 CC#CC(=O)[13CH3] 1458a_100000763181_200025704644 [0,0,0,0,0,0|2,0,2]=4 29 B5R0.1 CC(=O)C=CBr 1458a_100016273825_200000210301 [0,0,0,0,0,0|2,0,1]=3 30 B5R0.1 CC(=O)C=CCl 1458a_200016279998_200000210301 [0,0,0,0,0,0|2,0,1]=3 31 B5R0.1 CC(=O)C=CI 1458a_100016256311_200000210301 [0,0,0,0,0,0|2,0,1]=3 32 B5R0.1 CC(=O)CC#N 1458a_100000070787_100011214920 [0,0,0,0,0,0|2,0,2]=4 33 B5R0.1 CC(=O)CC#N 1458a_100051588842_200000210301 [0,0,0,0,0,0|2,0,2]=4 34 B5R0.1 CC(=O)CCF 1458a_100000070787_100011217306 [0,0,0,0,0,0|2,0,1]=3 35 B5R0.1 CC(=O)CCO 1458a_100000070787_100000211926 [0,0,0,0,0,0|1,0,1]=2 36 B5R0.1 CC(=O)CCO 1458a_100011216618_200000210301 [0,0,0,0,0,0|1,0,1]=2 37 B5R0.1 CC(=O)CO[13CH3] 34a_100000211253_200025704644 [0,0,0,0,0,0|3,0,1]=4 38 B5R0.1 CC(C)CN[13CH3] 2230a_100000210953_200025704644 [0,0,0,0,0,0|2,0,2]=4 39 B5R0.1 CC(C)CN[13CH3] 34a_100000210953_200025704644 [0,0,0,0,0,0|2,0,2]=4 40 B5R0.1 CC(C)CO[13CH3] 34a_100000210257_200025704644 [0,0,0,0,0,0|2,0,2]=4 41 B5R0.1 CC(C)CS[13CH3] 62a_100000210624_200025704644 [0,0,0,0,0,0|2,0,2]=4 42 B5R0.1 CC(C)CS[13CH3] 62a_200025704644_100000210760 [0,0,0,0,0,0|2,0,2]=4 43 B5R0.1 CC(C)NCF 34a_100138425928_100015361967 [0,0,0,0,0,0|2,0,1]=3 44 B5R0.1 CC(C)OCF 34a_100000212225_100015361967 [0,0,0,0,0,0|2,0,1]=3 45 B5R0.1 CC(C)SCF 62a_100000210206_100015361967 [0,0,0,0,0,0|2,0,1]=3 46 B5R0.1 CC(C)SCF 62a_100015361967_100000210206 [0,0,0,0,0,0|2,0,1]=3 47 B5R0.1 CC=CC(=O)C 1458a_100000210699_200000210301 [0,0,0,0,0,0|2,0,1]=3 48 B5R0.1 CC=CC(=O)[13CH3] 1458a_100000210699_200025704644 [0,0,0,0,0,0|2,0,1]=3 49 B5R0.1 CCCC(=O)C 1458a_100000070787_100000210303 [0,0,0,0,0,0|2,0,1]=3 50 B5R0.1 CCCC(=O)C 1458a_100000211992_200000210301 [0,0,0,0,0,0|2,0,1]=3 51 B5R0.1 CCCC(=O)[13CH3] 1458a_100000211992_200025704644 [0,0,0,0,0,0|2,0,1]=3 52 B5R0.1 CCCN(C)C 2230a_100000747261_200000210301 [0,0,0,0,0,0|2,0,1]=3 53 B5R0.1 CCCN(C)C 2230a_100102631434_100000210303 [0,0,0,0,0,0|2,0,1]=3 54 B5R0.1 CCCN(C)C 269982a_100000747261_200000210301 [0,0,0,0,0,0|2,0,1]=3 55 B5R0.1 CCCN(C)C 269982a_100102631434_100000210303 [0,0,0,0,0,0|2,0,1]=3 56 B5R0.1 CCCN(C)[13CH3] 2230a_100000747261_200025704644 [0,0,0,0,0,0|2,0,1]=3 57 B5R0.1 CCCN(C)[13CH3] 269982a_100000747261_200025704644 [0,0,0,0,0,0|2,0,1]=3 58 B5R0.1 CCNC(=O)C 11a_100015525214_100015343762 [0,0,0,0,0,0|3,0,0]=3 59 B5R0.1 CCNC(=O)C 240690a_100015525214_100015343762 [0,0,0,0,0,0|3,0,0]=3 60 B5R0.1 CCNC(=O)C 527a_100015525214_100103153847 [0,0,0,0,0,0|3,0,0]=3 61 B5R0.1 CCNC(C)C 2230a_100015525214_100000210206 [0,0,0,0,0,0|2,0,1]=3 62 B5R0.1 CCNC(C)C 2230a_100138425928_100000210202 [0,0,0,0,0,0|2,0,1]=3 63 B5R0.1 CCNC(C)C 34a_100138425928_100000210202 [0,0,0,0,0,0|2,0,1]=3 64 B5R0.1 CCOC(C)C 34a_100000212225_100000210202 [0,0,0,0,0,0|2,0,1]=3 65 B5R0.1 CCOC(C)C 34a_100121572206_100000210206 [0,0,0,0,0,0|2,0,1]=3 66 B5R0.1 CCSC(C)C 62a_100000210202_100000210206 [0,0,0,0,0,0|2,0,1]=3 67 B5R0.1 CCSC(C)C 62a_100000210206_100000210202 [0,0,0,0,0,0|2,0,1]=3 68 B5R0.1 CN(C)CC#N 2230a_100000748184_200000210301 [0,0,0,0,0,0|2,0,2]=4 69 B5R0.1 CN(C)CC#N 2230a_100102631434_100011215382 [0,0,0,0,0,0|2,0,2]=4 70 B5R0.1 CN(C)CC#N 269982a_100102631434_100011214920 [0,0,0,0,0,0|2,0,2]=4 71 B5R0.1 CN(C)CC=O 2230a_100102631434_200015260668 [0,0,0,0,0,0|1,0,3]=4 72 B5R0.1 CN(C)CC=O 269982a_100102631434_200015260668 [0,0,0,0,0,0|1,0,3]=4 73 B5R0.1 CN(C)CCF 2230a_100102631434_100011217306 [0,0,0,0,0,0|2,0,1]=3 74 B5R0.1 CN(C)CCF 269982a_100102631434_100011217306 [0,0,0,0,0,0|2,0,1]=3 75 B5R0.1 CN(C)CCO 2230a_100000210263_200000210301 [0,0,0,0,0,0|1,0,1]=2 76 B5R0.1 CN(C)CCO 2230a_100102631434_100000211926 [0,0,0,0,0,0|1,0,1]=2 77 B5R0.1 CN(C)CCO 269982a_100000210263_200000210301 [0,0,0,0,0,0|1,0,1]=2 78 B5R0.1 CN(C)CCO 269982a_100102631434_100000211926 [0,0,0,0,0,0|1,0,1]=2 79 B5R0.1 CN([13CH3])CC#N 2230a_100000748184_200025704644 [0,0,0,0,0,0|2,0,2]=4 80 B5R0.1 CN([13CH3])CCO 2230a_100000210263_200025704644 [0,0,0,0,0,0|1,0,1]=2 81 B5R0.1 CN([13CH3])CCO 269982a_100000210263_200025704644 [0,0,0,0,0,0|1,0,1]=2 82 B5R0.1 CNCC(C)C 2230a_100000210953_200000210301 [0,0,0,0,0,0|2,0,2]=4 83 B5R0.1 CNCC(C)C 2230a_106832991635_100000210760 [0,0,0,0,0,0|2,0,2]=4 84 B5R0.1 CNCC(C)C 270004a_106832991635_100000210432 [0,0,0,0,0,0|2,0,2]=4 85 B5R0.1 CNCC(C)C 34a_100000210953_200000210301 [0,0,0,0,0,0|2,0,2]=4 86 B5R0.1 CNCC(C)C 34a_100102657272_100000210624 [0,0,0,0,0,0|2,0,2]=4 87 B5R0.1 CNCC(C)C 7a_106832991635_100000210760 [0,0,0,0,0,0|2,0,2]=4 88 B5R0.1 CNNC(=O)C 22a_100016993582_100000070787 [0,0,0,0,0,0|4,0,0]=4 89 B5R0.1 COCC(=O)C 1458a_100000210968_200000210301 [0,0,0,0,0,0|3,0,1]=4 90 B5R0.1 COCC(=O)C 34a_100000211253_200000210301 [0,0,0,0,0,0|3,0,1]=4 91 B5R0.1 COCC(=O)[13CH3] 1458a_100000210968_200025704644 [0,0,0,0,0,0|3,0,1]=4 92 B5R0.1 COCC(C)C 34a_100000210257_200000210301 [0,0,0,0,0,0|2,0,2]=4 93 B5R0.1 COCC(C)C 34a_100138415774_100000210624 [0,0,0,0,0,0|2,0,2]=4 94 B5R0.1 COCN(C)C 2230a_100102631434_100000766300 [0,0,0,0,0,0|3,0,1]=4 95 B5R0.1 COCN(C)C 269982a_100102631434_100000766300 [0,0,0,0,0,0|3,0,1]=4 96 B5R0.1 CSCC(=O)C 1458a_100000184570_200000210301 [0,0,0,0,0,0|3,0,1]=4 97 B5R0.1 CSCC(=O)[13CH3] 1458a_100000184570_200025704644 [0,0,0,0,0,0|3,0,1]=4 98 B5R0.1 CSCC(C)C 62a_100000210624_200000210301 [0,0,0,0,0,0|2,0,2]=4 99 B5R0.1 CSCC(C)C 62a_200000210301_100000210760 [0,0,0,0,0,0|2,0,2]=4 100 B5R0.1 CSCN(C)C 2230a_100102631434_100011218213 [0,0,0,0,0,0|3,0,1]=4 101 B5R0.1 CSCN(C)C 269982a_100102631434_100011218213 [0,0,0,0,0,0|3,0,1]=4 102 B5R0.1 [13CH3]C(=O)C=CBr 1458a_100016273825_200025704644 [0,0,0,0,0,0|2,0,1]=3 103 B5R0.1 [13CH3]C(=O)C=CCl 1458a_200016279998_200025704644 [0,0,0,0,0,0|2,0,1]=3 104 B5R0.1 [13CH3]C(=O)C=CI 1458a_100016256311_200025704644 [0,0,0,0,0,0|2,0,1]=3 105 B5R0.1 [13CH3]C(=O)CC#N 1458a_100051588842_200025704644 [0,0,0,0,0,0|2,0,2]=4 106 B5R0.1 [13CH3]C(=O)CCO 1458a_100011216618_200025704644 [0,0,0,0,0,0|1,0,1]=2 107 B4R0.1 C#CC(=O)C 1458a_100000211873_200000210301 [1,0,0,0,0,0|1,0,2]=4 108 B4R0.1 C#CC(=O)[13CH3] 1458a_100000211873_200025704644 [1,0,0,0,0,0|1,0,2]=4 109 B4R0.1 C=CC(=O)C 1458a_100000185746_200000210301 [1,0,0,0,0,0|1,0,1]=3 110 B4R0.1 C=CC(=O)[13CH3] 1458a_100000185746_200025704644 [1,0,0,0,0,0|1,0,1]=3 111 B4R0.1 CC(=O)CF 1458a_100000070787_100015361967 [1,0,0,0,0,0|2,0,0]=3 112 B4R0.1 CC(=O)CO 1458a_100000210174_200000210301 [1,0,0,0,0,0|1,0,0]=2 113 B4R0.1 CC(C)N[13CH3] 2230a_100138425928_200025704644 [1,0,0,0,0,0|1,0,1]=3 114 B4R0.1 CC(C)N[13CH3] 34a_100138425928_200025704644 [1,0,0,0,0,0|1,0,1]=3 115 B4R0.1 CC(C)O[13CH3] 34a_100000212225_200025704644 [1,0,0,0,0,0|1,0,1]=3 116 B4R0.1 CC(C)S[13CH3] 62a_100000210206_200025704644 [1,0,0,0,0,0|1,0,1]=3 117 B4R0.1 CC(C)S[13CH3] 62a_200025704644_100000210206 [1,0,0,0,0,0|1,0,1]=3 118 B4R0.1 CCC(=O)C 1458a_100000070787_100000210202 [1,0,0,0,0,0|1,0,1]=3 119 B4R0.1 CCC(=O)C 1458a_100000210414_200000210301 [1,0,0,0,0,0|1,0,1]=3 120 B4R0.1 CCC(=O)[13CH3] 1458a_100000210414_200025704644 [1,0,0,0,0,0|1,0,1]=3 121 B4R0.1 CCN(C)C 2230a_100000225621_200000210301 [1,0,0,0,0,0|1,0,1]=3 122 B4R0.1 CCN(C)C 2230a_100102631434_100000210202 [1,0,0,0,0,0|1,0,1]=3 123 B4R0.1 CCN(C)C 269982a_100000225621_200000210301 [1,0,0,0,0,0|1,0,1]=3 124 B4R0.1 CCN(C)C 269982a_100102631434_100000204670 [1,0,0,0,0,0|1,0,1]=3 125 B4R0.1 CCN(C)[13CH3] 2230a_100000225621_200025704644 [1,0,0,0,0,0|1,0,1]=3 126 B4R0.1 CCN(C)[13CH3] 269982a_100000225621_200025704644 [1,0,0,0,0,0|1,0,1]=3 127 B4R0.1 CN(C)CF 269982a_100102631434_100015361967 [1,0,0,0,0,0|2,0,0]=3 128 B4R0.1 CNC(=O)C 11a_106832991635_100015343762 [1,0,0,0,0,0|2,0,0]=3 129 B4R0.1 CNC(=O)C 1626a_100102657272_100015343762 [1,0,0,0,0,0|2,0,0]=3 130 B4R0.1 CNC(=O)C 240690a_100102657272_100015343762 [1,0,0,0,0,0|2,0,0]=3 131 B4R0.1 CNC(=O)C 527a_100102657272_100103153847 [1,0,0,0,0,0|2,0,0]=3 132 B4R0.1 CNC(C)C 2230a_100138425928_200000210301 [1,0,0,0,0,0|1,0,1]=3 133 B4R0.1 CNC(C)C 2230a_106832991635_100000210206 [1,0,0,0,0,0|1,0,1]=3 134 B4R0.1 CNC(C)C 34a_100102657272_100000210206 [1,0,0,0,0,0|1,0,1]=3 135 B4R0.1 CNC(C)C 34a_100138425928_200000210301 [1,0,0,0,0,0|1,0,1]=3 136 B4R0.1 CNC(C)C 7a_106832991635_100000210206 [1,0,0,0,0,0|1,0,1]=3 137 B4R0.1 COC(C)C 34a_100000212225_200000210301 [1,0,0,0,0,0|1,0,1]=3 138 B4R0.1 COC(C)C 34a_100138415774_100000210206 [1,0,0,0,0,0|1,0,1]=3 139 B4R0.1 CSC(C)C 62a_100000210206_200000210301 [1,0,0,0,0,0|1,0,1]=3 140 B4R0.1 CSC(C)C 62a_200000210301_100000210206 [1,0,0,0,0,0|1,0,1]=3 141 B4R0.1 [13CH3]C(=O)CO 1458a_100000210174_200025704644 [1,0,0,0,0,0|1,0,0]=2 142 B4R0.2 CCCNC 2230a_106832991635_100000210303 [1,0,0,0,0,0|2,0,1]=4 143 B4R0.2 CCCNC 34a_100102657272_100000210303 [1,0,0,0,0,0|2,0,1]=4 144 B4R0.2 CCCNC 7a_106832991635_100000210303 [1,0,0,0,0,0|2,0,1]=4 145 B4R0.2 CCCOC 34a_100000210258_200000210301 [1,0,0,0,0,0|2,0,1]=4 146 B4R0.2 CCCOC 34a_100138415774_100000210303 [1,0,0,0,0,0|2,0,1]=4 147 B4R0.2 CCCO[13CH3] 34a_100000210258_200025704644 [1,0,0,0,0,0|2,0,1]=4 148 B4R0.2 CCCSC 62a_100000210303_200000210301 [1,0,0,0,0,0|2,0,1]=4 149 B4R0.2 CCCSC 62a_200000210301_100000210303 [1,0,0,0,0,0|2,0,1]=4 150 B4R0.2 CCCS[13CH3] 62a_100000210303_200025704644 [1,0,0,0,0,0|2,0,1]=4 151 B4R0.2 CCCS[13CH3] 62a_200025704644_100000210303 [1,0,0,0,0,0|2,0,1]=4 152 B4R0.2 CCNCC 2230a_100015525214_100000210202 [1,0,0,0,0,0|2,0,1]=4 153 B4R0.2 CCOCC 34a_100121572206_100000210202 [1,0,0,0,0,0|2,0,1]=4 154 B4R0.2 CCOCF 34a_100121572206_100015361967 [1,0,0,0,0,0|2,0,1]=4 155 B4R0.2 CCSCC 62a_100000210202_100000210202 [1,0,0,0,0,0|2,0,1]=4 156 B4R0.2 CCSCF 62a_100000210202_100015361967 [1,0,0,0,0,0|2,0,1]=4 157 B4R0.2 CCSCF 62a_100015361967_100000210202 [1,0,0,0,0,0|2,0,1]=4 158 B4R0.2 CNCCF 2230a_106832991635_100011217306 [1,0,0,0,0,0|2,0,1]=4 159 B4R0.2 CNCCF 34a_100000724931_200000210301 [1,0,0,0,0,0|2,0,1]=4 160 B4R0.2 CNCCF 34a_100102657272_100011217306 [1,0,0,0,0,0|2,0,1]=4 161 B4R0.2 CNCCF 7a_106832991635_100011217306 [1,0,0,0,0,0|2,0,1]=4 162 B4R0.2 CNCCO 2230a_100016997473_200000210301 [1,0,0,0,0,0|1,0,1]=3 163 B4R0.2 CNCCO 2230a_106832991635_100000211926 [1,0,0,0,0,0|1,0,1]=3 164 B4R0.2 CNCCO 34a_100016990907_200000210301 [1,0,0,0,0,0|1,0,1]=3 165 B4R0.2 CNCCO 34a_100102657272_100000211926 [1,0,0,0,0,0|1,0,1]=3 166 B4R0.2 CNCCO 7a_106832991635_100000211926 [1,0,0,0,0,0|1,0,1]=3 167 B4R0.2 COCCBr 34a_100000211926_200000210301 [1,0,0,0,0,0|2,0,1]=4 168 B4R0.2 COCCF 34a_100138415774_100011217306 [1,0,0,0,0,0|2,0,1]=4 169 B4R0.2 COCCN 34a_100000210304_200000210301 [1,0,0,0,0,0|2,0,1]=4 170 B4R0.2 COCCO 34a_100138415774_100000211926 [1,0,0,0,0,0|1,0,1]=3 171 B4R0.2 CSCCF 62a_100011217306_200000210301 [1,0,0,0,0,0|2,0,1]=4 172 B4R0.2 CSCCF 62a_200000210301_100011217306 [1,0,0,0,0,0|2,0,1]=4 173 B4R0.2 CSCCO 62a_100000211926_200000210301 [1,0,0,0,0,0|1,0,1]=3 174 B4R0.2 CSCCO 62a_200000210301_100000211926 [1,0,0,0,0,0|1,0,1]=3 175 B4R0.2 [13CH3]NCCF 34a_100000724931_200025704644 [1,0,0,0,0,0|2,0,1]=4 176 B4R0.2 [13CH3]NCCO 2230a_100016997473_200025704644 [1,0,0,0,0,0|1,0,1]=3 177 B4R0.2 [13CH3]NCCO 34a_100016990907_200025704644 [1,0,0,0,0,0|1,0,1]=3 178 B4R0.2 [13CH3]OCCBr 34a_100000211926_200025704644 [1,0,0,0,0,0|2,0,1]=4 179 B4R0.2 [13CH3]OCCN 34a_100000210304_200025704644 [1,0,0,0,0,0|2,0,1]=4 180 B4R0.2 [13CH3]SCCF 62a_100011217306_200025704644 [1,0,0,0,0,0|2,0,1]=4 181 B4R0.2 [13CH3]SCCF 62a_200025704644_100011217306 [1,0,0,0,0,0|2,0,1]=4 182 B4R0.2 [13CH3]SCCO 62a_100000211926_200025704644 [1,0,0,0,0,0|1,0,1]=3 183 B4R0.2 [13CH3]SCCO 62a_200025704644_100000211926 [1,0,0,0,0,0|1,0,1]=3 184 B6R0.1 C#CC(=O)CCO 1458a_100000211873_100000211926 [0,1,0,0,0,0|1,0,2]=4 185 B6R0.1 C/C=C/C(C)OC 34a_200102604097_200000210301 [0,1,0,0,0,0|1,0,2]=4 186 B6R0.1 C/C=C/C(C)O[13CH3] 34a_200102604097_200025704644 [0,1,0,0,0,0|1,0,2]=4 187 B6R0.1 C=CC(=O)CCO 1458a_100000185746_100000211926 [0,1,0,0,0,0|1,0,2]=4 188 B6R0.1 CC(CCBr)O[13CH3] 34a_100012276601_200025704644 [0,1,0,0,0,0|1,0,2]=4 189 B6R0.1 CC(CCO)S[13CH3] 62a_100009893172_200025704644 [0,1,0,0,0,0|0,0,2]=3 190 B6R0.1 CC(CCO)S[13CH3] 62a_200025704644_100009893172 [0,1,0,0,0,0|0,0,2]=3 191 B6R0.1 CC(CF)OCF 34a_100016041109_100015361967 [0,1,0,0,0,0|2,0,1]=4 192 B6R0.1 CC(CF)OCF 7a_100016041109_100015361967 [0,1,0,0,0,0|2,0,1]=4 193 B6R0.1 CC(CN)OCF 34a_100000210904_100015361967 [0,1,0,0,0,0|2,0,1]=4 194 B6R0.1 CC(CO)SCF 62a_100012180447_100015361967 [0,1,0,0,0,0|2,0,1]=4 195 B6R0.1 CC=CC(=O)CC 1458a_100000210699_100000210202 [0,1,0,0,0,0|2,0,1]=4 196 B6R0.1 CC=CC(=O)CF 1458a_100000210699_100015361967 [0,1,0,0,0,0|2,0,1]=4 197 B6R0.1 CC=CC(=O)NC 11a_106832991635_100000210699 [0,1,0,0,0,0|2,0,1]=4 198 B6R0.1 CC=CC(=O)NC 1626a_100102657272_100000210699 [0,1,0,0,0,0|2,0,1]=4 199 B6R0.1 CC=CC(=O)NC 240690a_100102657272_100000210699 [0,1,0,0,0,0|2,0,1]=4 200 B6R0.1 CCC(=O)C=CBr 1458a_100016273825_100000210202 [0,1,0,0,0,0|2,0,1]=4 201 B6R0.1 CCC(=O)C=CCl 1458a_200016279998_100000210202 [0,1,0,0,0,0|2,0,1]=4 202 B6R0.1 CCC(=O)C=CI 1458a_100016256311_100000210202 [0,1,0,0,0,0|2,0,1]=4 203 B6R0.1 CCC(=O)CCF 1458a_100000210414_100011217306 [0,1,0,0,0,0|2,0,1]=4 204 B6R0.1 CCC(=O)CCO 1458a_100000210414_100000211926 [0,1,0,0,0,0|1,0,1]=3 205 B6R0.1 CCC(=O)CCO 1458a_100011216618_100000210202 [0,1,0,0,0,0|1,0,1]=3 206 B6R0.1 CCC(C)OCF 7a_100000210228_100015361967 [0,1,0,0,0,0|2,0,1]=4 207 B6R0.1 CCC(C)SCF 62a_100000758301_100015361967 [0,1,0,0,0,0|2,0,1]=4 208 B6R0.1 CCC(C)SCF 62a_100015361967_100000758301 [0,1,0,0,0,0|2,0,1]=4 209 B6R0.1 CCCC(=O)CC 1458a_100000210414_100000210303 [0,1,0,0,0,0|2,0,1]=4 210 B6R0.1 CCCC(=O)CC 1458a_100000211992_100000210202 [0,1,0,0,0,0|2,0,1]=4 211 B6R0.1 CCCC(=O)CF 1458a_100000211992_100015361967 [0,1,0,0,0,0|2,0,1]=4 212 B6R0.1 CCCC(=O)CO 1458a_100000210174_100000210303 [0,1,0,0,0,0|2,0,1]=4 213 B6R0.1 CCCC(=O)NC 11a_106832991635_100000211992 [0,1,0,0,0,0|2,0,1]=4 214 B6R0.1 CCCC(=O)NC 1626a_100102657272_100000211992 [0,1,0,0,0,0|2,0,1]=4 215 B6R0.1 CCCC(=O)NC 240690a_100102657272_100000211992 [0,1,0,0,0,0|2,0,1]=4 216 B6R0.1 CCCC(=O)NC 527a_100102657272_100000211992 [0,1,0,0,0,0|2,0,1]=4 217 B6R0.1 CCCC(C)NC 2230a_100000741246_200000210301 [0,1,0,0,0,0|1,0,2]=4 218 B6R0.1 CCCC(C)NC 2230a_106832991635_100000766640 [0,1,0,0,0,0|1,0,2]=4 219 B6R0.1 CCCC(C)NC 270004a_106832991635_100000211909 [0,1,0,0,0,0|1,0,2]=4 220 B6R0.1 CCCC(C)NC 34a_100102657272_100000766640 [0,1,0,0,0,0|1,0,2]=4 221 B6R0.1 CCCC(C)NC 7a_106832991635_100000766640 [0,1,0,0,0,0|1,0,2]=4 222 B6R0.1 CCCC(C)N[13CH3] 2230a_100000741246_200025704644 [0,1,0,0,0,0|1,0,2]=4 223 B6R0.1 CCCC(C)OC 34a_100000764384_200000210301 [0,1,0,0,0,0|1,0,2]=4 224 B6R0.1 CCCC(C)OC 34a_100138415774_100000766640 [0,1,0,0,0,0|1,0,2]=4 225 B6R0.1 CCCC(C)OC 7a_100000764384_200000210301 [0,1,0,0,0,0|1,0,2]=4 226 B6R0.1 CCCC(C)O[13CH3] 34a_100000764384_200025704644 [0,1,0,0,0,0|1,0,2]=4 227 B6R0.1 CCCC(C)O[13CH3] 7a_100000764384_200025704644 [0,1,0,0,0,0|1,0,2]=4 228 B6R0.1 CCCC(C)SC 62a_100000766640_200000210301 [0,1,0,0,0,0|1,0,2]=4 229 B6R0.1 CCCC(C)SC 62a_200000210301_100000766640 [0,1,0,0,0,0|1,0,2]=4 230 B6R0.1 CCCC(C)S[13CH3] 62a_100000766640_200025704644 [0,1,0,0,0,0|1,0,2]=4 231 B6R0.1 CCCC(C)S[13CH3] 62a_200025704644_100000766640 [0,1,0,0,0,0|1,0,2]=4 232 B6R0.1 CCCN(C)CC 2230a_100000225621_100000210303 [0,1,0,0,0,0|2,0,1]=4 233 B6R0.1 CCCN(C)CC 2230a_100000226822_200000210301 [0,1,0,0,0,0|2,0,1]=4 234 B6R0.1 CCCN(C)CC 2230a_100000747261_100000210202 [0,1,0,0,0,0|2,0,1]=4 235 B6R0.1 CCCN(C)CC 269982a_100000225621_100000210303 [0,1,0,0,0,0|2,0,1]=4 236 B6R0.1 CCCN(C)CC 269982a_100000226822_200000210301 [0,1,0,0,0,0|2,0,1]=4 237 B6R0.1 CCCN(C)CC 269982a_100000747261_100000204670 [0,1,0,0,0,0|2,0,1]=4 238 B6R0.1 CCCN(C)CF 269982a_100000747261_100015361967 [0,1,0,0,0,0|2,0,1]=4 239 B6R0.1 CCCN([13CH3])CC 2230a_100000226822_200025704644 [0,1,0,0,0,0|2,0,1]=4 240 B6R0.1 CCCN([13CH3])CC 269982a_100000226822_200025704644 [0,1,0,0,0,0|2,0,1]=4 241 B6R0.1 CCN(C)CCF 2230a_100000225621_100011217306 [0,1,0,0,0,0|2,0,1]=4 242 B6R0.1 CCN(C)CCF 269982a_100000225621_100011217306 [0,1,0,0,0,0|2,0,1]=4 243 B6R0.1 CCN(C)CCO 2230a_100000210263_100000210202 [0,1,0,0,0,0|1,0,1]=3 244 B6R0.1 CCN(C)CCO 2230a_100000210973_200000210301 [0,1,0,0,0,0|1,0,1]=3 245 B6R0.1 CCN(C)CCO 2230a_100000225621_100000211926 [0,1,0,0,0,0|1,0,1]=3 246 B6R0.1 CCN(C)CCO 269982a_100000210263_100000204670 [0,1,0,0,0,0|1,0,1]=3 247 B6R0.1 CCN(C)CCO 269982a_100000210973_200000210301 [0,1,0,0,0,0|1,0,1]=3 248 B6R0.1 CCN(C)CCO 269982a_100000225621_100000211926 [0,1,0,0,0,0|1,0,1]=3 249 B6R0.1 CCN([13CH3])CCO 2230a_100000210973_200025704644 [0,1,0,0,0,0|1,0,1]=3 250 B6R0.1 CCN([13CH3])CCO 269982a_100000210973_200025704644 [0,1,0,0,0,0|1,0,1]=3 251 B6R0.1 CCNC(=O)CC 11a_100015525214_100000210414 [0,1,0,0,0,0|3,0,0]=4 252 B6R0.1 CCNC(=O)CC 240690a_100015525214_100000210414 [0,1,0,0,0,0|3,0,0]=4 253 B6R0.1 CCNC(=O)CC 527a_100015525214_100000210414 [0,1,0,0,0,0|3,0,0]=4 254 B6R0.1 CCNC(=O)CO 240690a_100015525214_100000210174 [0,1,0,0,0,0|3,0,0]=4 255 B6R0.1 CCNC(=O)CO 527a_100015525214_100000210174 [0,1,0,0,0,0|3,0,0]=4 256 B6R0.1 CCNC(=O)NC 2708a_100015525214_106832991635 [0,1,0,0,0,0|3,0,0]=4 257 B6R0.1 CCNC(=O)NC 2708a_100102657272_100015525214 [0,1,0,0,0,0|3,0,0]=4 258 B6R0.1 CCNC(=O)NC 273464a_100015525214_100102657272 [0,1,0,0,0,0|3,0,0]=4 259 B6R0.1 CCNC(=O)NC 273464a_100102657272_100015525214 [0,1,0,0,0,0|3,0,0]=4 260 B6R0.1 CCNC(=O)NC 512a_100015525214_100102657272 [0,1,0,0,0,0|3,0,0]=4 261 B6R0.1 CCNC(=O)NC 512a_106832991638_100015525214 [0,1,0,0,0,0|3,0,0]=4 262 B6R0.1 CCNC(C)CC 2230a_100000209981_100000210202 [0,1,0,0,0,0|2,0,1]=4 263 B6R0.1 CCNC(C)CC 2230a_100015525214_100000758301 [0,1,0,0,0,0|2,0,1]=4 264 B6R0.1 CCNC(C)CO 2230a_100015525214_100012180447 [0,1,0,0,0,0|2,0,1]=4 265 B6R0.1 CCN[C@H](C)CO 2230a_100000737577_100000210202 [0,1,0,0,0,0|2,0,1]=4 266 B6R0.1 CCOC(C)CC 34a_100121572206_100011215416 [0,1,0,0,0,0|2,0,1]=4 267 B6R0.1 CCOC(C)CC 7a_100000210228_100000210202 [0,1,0,0,0,0|2,0,1]=4 268 B6R0.1 CCOC(C)CF 34a_100016041109_100000210202 [0,1,0,0,0,0|2,0,1]=4 269 B6R0.1 CCOC(C)CF 7a_100016041109_100000210202 [0,1,0,0,0,0|2,0,1]=4 270 B6R0.1 CCOC(C)CN 34a_100000210904_100000210202 [0,1,0,0,0,0|2,0,1]=4 271 B6R0.1 CCOC(C)CO 34a_100121572206_100012180447 [0,1,0,0,0,0|2,0,1]=4 272 B6R0.1 CCSC(C)CC 62a_100000210202_100000758301 [0,1,0,0,0,0|2,0,1]=4 273 B6R0.1 CCSC(C)CC 62a_100000758301_100000210202 [0,1,0,0,0,0|2,0,1]=4 274 B6R0.1 CCSC(C)CO 62a_100012180447_100000210202 [0,1,0,0,0,0|2,0,1]=4 275 B6R0.1 CCSC(C)OC 62a_100000210202_100009879195 [0,1,0,0,0,0|2,0,1]=4 276 B6R0.1 CCSC(C)OC 62a_100009879195_100000210202 [0,1,0,0,0,0|2,0,1]=4 277 B6R0.1 CCS[C@H](C)CO 62a_100000210202_100016084084 [0,1,0,0,0,0|2,0,1]=4 278 B6R0.1 CCS[C@H](C)CO 62a_100016084084_100000210202 [0,1,0,0,0,0|2,0,1]=4 279 B6R0.1 CN(CF)CCO 269982a_100000210263_100015361967 [0,1,0,0,0,0|1,0,1]=3 280 B6R0.1 CNC(=O)C=CBr 1626a_100102657272_100016273825 [0,1,0,0,0,0|2,0,1]=4 281 B6R0.1 CNC(=O)C=CBr 240690a_100102657272_100016273825 [0,1,0,0,0,0|2,0,1]=4 282 B6R0.1 CNC(=O)C=CCl 11a_106832991635_200016279998 [0,1,0,0,0,0|2,0,1]=4 283 B6R0.1 CNC(=O)C=CCl 1626a_100102657272_200016279998 [0,1,0,0,0,0|2,0,1]=4 284 B6R0.1 CNC(=O)C=CCl 240690a_100102657272_200016279998 [0,1,0,0,0,0|2,0,1]=4 285 B6R0.1 CNC(=O)C=CI 1626a_100102657272_100016256311 [0,1,0,0,0,0|2,0,1]=4 286 B6R0.1 CNC(=O)CCO 240690a_100102657272_100011216618 [0,1,0,0,0,0|1,0,1]=3 287 B6R0.1 CNC(C)CCO 2230a_106832991635_100009893172 [0,1,0,0,0,0|0,0,2]=3 288 B6R0.1 CNC(C)CCO 34a_100102657272_100009893172 [0,1,0,0,0,0|0,0,2]=3 289 B6R0.1 CNC(C)CCO 7a_106832991635_100009893172 [0,1,0,0,0,0|0,0,2]=3 290 B6R0.1 CN[C@H](C)CCO 2230a_100000706166_200000210301 [0,1,0,0,0,0|0,0,2]=3 291 B6R0.1 CN[C@H](C)CCO 34a_100000706166_200000210301 [0,1,0,0,0,0|0,0,2]=3 292 B6R0.1 COC(C)CCBr 34a_100012276601_200000210301 [0,1,0,0,0,0|1,0,2]=4 293 B6R0.1 COC(C)CCO 34a_100138415774_100009893172 [0,1,0,0,0,0|0,0,2]=3 294 B6R0.1 COC(C)SCF 62a_100009879195_100015361967 [0,1,0,0,0,0|2,0,1]=4 295 B6R0.1 COC(C)SCF 62a_100015361967_100009879195 [0,1,0,0,0,0|2,0,1]=4 296 B6R0.1 CSC(C)CCO 62a_100009893172_200000210301 [0,1,0,0,0,0|0,0,2]=3 297 B6R0.1 CSC(C)CCO 62a_200000210301_100009893172 [0,1,0,0,0,0|0,0,2]=3 298 B6R0.1 C[C@H](CCO)N[13CH3] 2230a_100000706166_200025704644 [0,1,0,0,0,0|0,0,2]=3 299 B6R0.1 C[C@H](CCO)N[13CH3] 34a_100000706166_200025704644 [0,1,0,0,0,0|0,0,2]=3 300 B6R0.1 C[C@H](CO)SCF 62a_100015361967_100016084084 [0,1,0,0,0,0|2,0,1]=4 301 B6R0.1 C[C@H](CO)SCF 62a_100016084084_100015361967 [0,1,0,0,0,0|2,0,1]=4 302 B6R0.1 O=C(C=CBr)CF 1458a_100016273825_100015361967 [0,1,0,0,0,0|2,0,1]=4 303 B6R0.1 O=C(C=CCl)CF 1458a_200016279998_100015361967 [0,1,0,0,0,0|2,0,1]=4 304 B6R0.1 O=C(C=CI)CF 1458a_100016256311_100015361967 [0,1,0,0,0,0|2,0,1]=4 305 B6R0.1 O=C(CF)CCO 1458a_100011216618_100015361967 [0,1,0,0,0,0|1,0,1]=3 306 B6R0.1 O=C(CO)CCF 1458a_100000210174_100011217306 [0,1,0,0,0,0|2,0,1]=4 307 B6R0.1 O=C(CO)CCO 1458a_100000210174_100000211926 [0,1,0,0,0,0|1,0,1]=3 308 B6R0.2 CC(=CC(=O)[13CH3])C 1458a_100000211388_200025704644 [0,1,0,0,0,0|0,0,2]=3 309 B6R0.2 CC(=CC(=O)[13CH3])Cl 1458a_200042562850_200025704644 [0,1,0,0,0,0|1,0,2]=4 310 B6R0.2 CC(=CC(=O)[13CH3])I 1458a_100025716642_200025704644 [0,1,0,0,0,0|1,0,2]=4 311 B6R0.2 CC(=O)C=C(C)C 1458a_100000211388_200000210301 [0,1,0,0,0,0|0,0,2]=3 312 B6R0.2 CC(=O)C=C(C)Cl 1458a_200042562850_200000210301 [0,1,0,0,0,0|1,0,2]=4 313 B6R0.2 CC(=O)C=C(C)I 1458a_100025716642_200000210301 [0,1,0,0,0,0|1,0,2]=4 314 B6R0.2 CC(=O)C=C(Cl)Cl 1458a_100000137448_200000210301 [0,1,0,0,0,0|2,0,1]=4 315 B6R0.2 CC(=O)CC(C)C 1458a_100000070787_100000210624 [0,1,0,0,0,0|2,0,1]=4 316 B6R0.2 CC(=O)CC(C)C 1458a_100000210554_200000210301 [0,1,0,0,0,0|2,0,1]=4 317 B6R0.2 CC(=O)CC(C)O 1458a_100000070787_100011218427 [0,1,0,0,0,0|1,0,1]=3 318 B6R0.2 CC(=O)CC(F)F 1458a_100000070787_100011934356 [0,1,0,0,0,0|2,0,1]=4 319 B6R0.2 CC(=O)C[C@@H](C)O 1458a_100011933948_200000210301 [0,1,0,0,0,0|1,0,1]=3 320 B6R0.2 CC(=O)NC(C)C 11a_100138425928_100015343762 [0,1,0,0,0,0|3,0,0]=4 321 B6R0.2 CC(=O)NC(C)C 1626a_100138425928_100015343762 [0,1,0,0,0,0|3,0,0]=4 322 B6R0.2 CC(=O)NC(C)C 240690a_100138425928_100015343762 [0,1,0,0,0,0|3,0,0]=4 323 B6R0.2 CC(=O)NC(C)C 527a_100138425928_100103153847 [0,1,0,0,0,0|3,0,0]=4 324 B6R0.2 CC(C)CC(=O)[13CH3] 1458a_100000210554_200025704644 [0,1,0,0,0,0|2,0,1]=4 325 B6R0.2 CC(C)CN(C)C 2230a_100000747067_200000210301 [0,1,0,0,0,0|2,0,1]=4 326 B6R0.2 CC(C)CN(C)C 2230a_100102631434_100000210760 [0,1,0,0,0,0|2,0,1]=4 327 B6R0.2 CC(C)CN(C)C 269982a_100000747067_200000210301 [0,1,0,0,0,0|2,0,1]=4 328 B6R0.2 CC(C)CN(C)C 269982a_100102631434_100000210624 [0,1,0,0,0,0|2,0,1]=4 329 B6R0.2 CC(C)CN(C)C 270004a_100102631434_100000210432 [0,1,0,0,0,0|2,0,1]=4 330 B6R0.2 CC(C)CN(C)[13CH3] 2230a_100000747067_200025704644 [0,1,0,0,0,0|2,0,1]=4 331 B6R0.2 CC(C)CN(C)[13CH3] 269982a_100000747067_200025704644 [0,1,0,0,0,0|2,0,1]=4 332 B6R0.2 CC(C)NC(C)C 2230a_100138425928_100000210206 [0,1,0,0,0,0|2,0,1]=4 333 B6R0.2 CC(C)NC(C)C 34a_100138425928_100000210206 [0,1,0,0,0,0|2,0,1]=4 334 B6R0.2 CC(C)OC(C)C 34a_100000212225_100000210206 [0,1,0,0,0,0|2,0,1]=4 335 B6R0.2 CC(C)SC(C)C 62a_100000210206_100000210206 [0,1,0,0,0,0|2,0,1]=4 336 B6R0.2 CC(O)CN(C)C 2230a_100000227577_200000210301 [0,1,0,0,0,0|1,0,1]=3 337 B6R0.2 CC(O)CN(C)C 2230a_100102631434_100011218427 [0,1,0,0,0,0|1,0,1]=3 338 B6R0.2 CC(O)CN(C)C 269982a_100000227577_200000210301 [0,1,0,0,0,0|1,0,1]=3 339 B6R0.2 CC(O)CN(C)C 269982a_100102631434_100011218427 [0,1,0,0,0,0|1,0,1]=3 340 B6R0.2 CC(O)CN(C)[13CH3] 2230a_100000227577_200025704644 [0,1,0,0,0,0|1,0,1]=3 341 B6R0.2 CC(O)CN(C)[13CH3] 269982a_100000227577_200025704644 [0,1,0,0,0,0|1,0,1]=3 342 B6R0.2 CN(C)CC(=O)O 269956a_100000746989_200000210301 [0,1,0,0,0,0|1,0,2]=4 343 B6R0.2 CN(C)CC(F)F 2230a_100102631434_100011934356 [0,1,0,0,0,0|2,0,1]=4 344 B6R0.2 CN(C)CC(F)F 269982a_100102631434_100011934356 [0,1,0,0,0,0|2,0,1]=4 345 B6R0.2 CN([13CH3])CC(=O)O 269956a_100000746989_200025704644 [0,1,0,0,0,0|1,0,2]=4 346 B6R0.2 C[C@@H](O)CC(=O)[13CH3] 1458a_100011933948_200025704644 [0,1,0,0,0,0|1,0,1]=3 347 B6R0.2 C[C@@H](O)CN(C)C 2230a_100102631434_100009817552 [0,1,0,0,0,0|1,0,1]=3 348 B6R0.2 C[C@@H](O)CN(C)C 269982a_100102631434_100009817552 [0,1,0,0,0,0|1,0,1]=3 349 B6R0.2 [13CH3]C(=O)C=C(Cl)Cl 1458a_100000137448_200025704644 [0,1,0,0,0,0|2,0,1]=4 350 B6R0.3 C#CC(=O)C(C)C 1458a_100000211873_100000210206 [0,1,0,0,0,0|1,0,2]=4 351 B6R0.3 C/C=C(\C)/C(=O)C 1458a_100020587367_200000210301 [0,1,0,0,0,0|2,0,1]=4 352 B6R0.3 C/C=C(\C)/C(=O)[13CH3] 1458a_100020587367_200025704644 [0,1,0,0,0,0|2,0,1]=4 353 B6R0.3 C=C(C)C(=O)CC 1458a_100000185857_100000210202 [0,1,0,0,0,0|1,0,1]=3 354 B6R0.3 C=C(C)C(=O)CF 1458a_100000185857_100015361967 [0,1,0,0,0,0|1,0,1]=3 355 B6R0.3 C=C(C)C(=O)NC 11a_106832991635_100000185857 [0,1,0,0,0,0|2,0,1]=4 356 B6R0.3 C=C(C)C(=O)NC 1626a_100102657272_100000185857 [0,1,0,0,0,0|2,0,1]=4 357 B6R0.3 C=CC(=O)C(C)C 1458a_100000185746_100000210206 [0,1,0,0,0,0|1,0,2]=4 358 B6R0.3 C=CC(=O)N(C)C 1626a_100102631434_100000185746 [0,1,0,0,0,0|2,0,1]=4 359 B6R0.3 C=CC(=O)N(C)C 240690a_100102631434_200121576911 [0,1,0,0,0,0|2,0,1]=4 360 B6R0.3 CC(=O)C(O)CO 1458a_100011215603_200000210301 [0,1,0,0,0,0|1,0,1]=3 361 B6R0.3 CC(C)C(=O)CF 1458a_100000210198_100015361967 [0,1,0,0,0,0|1,0,1]=3 362 B6R0.3 CC(C)C(=O)CO 1458a_100000210174_100000210206 [0,1,0,0,0,0|0,0,1]=2 363 B6R0.3 CC(C)N(C)CF 269982a_200000211004_100015361967 [0,1,0,0,0,0|2,0,1]=4 364 B6R0.3 CC(CO)N(C)C 2230a_100000693034_200000210301 [0,1,0,0,0,0|1,0,1]=3 365 B6R0.3 CC(CO)N(C)C 2230a_100102631434_100012180447 [0,1,0,0,0,0|1,0,1]=3 366 B6R0.3 CC(CO)N(C)C 269982a_100000693034_200000210301 [0,1,0,0,0,0|1,0,1]=3 367 B6R0.3 CC(CO)N(C)[13CH3] 2230a_100000693034_200025704644 [0,1,0,0,0,0|1,0,1]=3 368 B6R0.3 CC(CO)N(C)[13CH3] 269982a_100000693034_200025704644 [0,1,0,0,0,0|1,0,1]=3 369 B6R0.3 CC(F)C(=O)CF 1458a_100000062450_100015361967 [0,1,0,0,0,0|2,0,1]=4 370 B6R0.3 CCC(=O)C(C)C 1458a_100000210198_100000210202 [0,1,0,0,0,0|1,0,1]=3 371 B6R0.3 CCC(=O)C(C)C 1458a_100000210414_100000210206 [0,1,0,0,0,0|1,0,1]=3 372 B6R0.3 CCC(=O)C(C)F 1458a_100000062450_100000210202 [0,1,0,0,0,0|2,0,1]=4 373 B6R0.3 CCC(=O)N(C)C 11a_100102631434_100000210414 [0,1,0,0,0,0|2,0,0]=3 374 B6R0.3 CCC(=O)N(C)C 1626a_100102631434_100000210414 [0,1,0,0,0,0|2,0,0]=3 375 B6R0.3 CCC(=O)N(C)C 240690a_100102631434_100000210414 [0,1,0,0,0,0|2,0,0]=3 376 B6R0.3 CCC(=O)N(C)C 527a_100102631434_100000210414 [0,1,0,0,0,0|2,0,0]=3 377 B6R0.3 CCC(=O)[C@@H](C)O 1458a_100000717761_100000210202 [0,1,0,0,0,0|2,0,1]=4 378 B6R0.3 CCC(=O)[C@H](C)O 1458a_217856618621_100000210202 [0,1,0,0,0,0|2,0,1]=4 379 B6R0.3 CCC(C)C(=O)C 1458a_100000070787_100000758301 [0,1,0,0,0,0|2,0,1]=4 380 B6R0.3 CCC(C)C(=O)C 1458a_100011192722_200000210301 [0,1,0,0,0,0|2,0,1]=4 381 B6R0.3 CCC(C)C(=O)[13CH3] 1458a_100011192722_200025704644 [0,1,0,0,0,0|2,0,1]=4 382 B6R0.3 CCC(C)N(C)C 2230a_100000741768_200000210301 [0,1,0,0,0,0|2,0,1]=4 383 B6R0.3 CCC(C)N(C)C 2230a_100102631434_100000758301 [0,1,0,0,0,0|2,0,1]=4 384 B6R0.3 CCC(C)N(C)C 269982a_100000741768_200000210301 [0,1,0,0,0,0|2,0,1]=4 385 B6R0.3 CCC(C)N(C)C 269982a_100102631434_100000758301 [0,1,0,0,0,0|2,0,1]=4 386 B6R0.3 CCC(C)N(C)[13CH3] 2230a_100000741768_200025704644 [0,1,0,0,0,0|2,0,1]=4 387 B6R0.3 CCC(C)N(C)[13CH3] 269982a_100000741768_200025704644 [0,1,0,0,0,0|2,0,1]=4 388 B6R0.3 CCC(O)C(=O)C 1458a_100011196387_200000210301 [0,1,0,0,0,0|2,0,1]=4 389 B6R0.3 CCC(O)C(=O)[13CH3] 1458a_100011196387_200025704644 [0,1,0,0,0,0|2,0,1]=4 390 B6R0.3 CCN(C)C(=O)C 11a_100000225621_100015343762 [0,1,0,0,0,0|3,0,0]=4 391 B6R0.3 CCN(C)C(=O)C 1626a_100000225621_100015343762 [0,1,0,0,0,0|3,0,0]=4 392 B6R0.3 CCN(C)C(=O)C 240690a_100000225621_100015343762 [0,1,0,0,0,0|3,0,0]=4 393 B6R0.3 CCN(C)C(=O)C 527a_100000225621_100103153847 [0,1,0,0,0,0|3,0,0]=4 394 B6R0.3 CCN(C)C(C)C 2230a_100000223864_200000210301 [0,1,0,0,0,0|2,0,1]=4 395 B6R0.3 CCN(C)C(C)C 2230a_100000225621_100000210206 [0,1,0,0,0,0|2,0,1]=4 396 B6R0.3 CCN(C)C(C)C 269982a_100000223864_200000210301 [0,1,0,0,0,0|2,0,1]=4 397 B6R0.3 CCN(C)C(C)C 269982a_100000225621_100000210206 [0,1,0,0,0,0|2,0,1]=4 398 B6R0.3 CCN(C)C(C)C 269982a_200000211004_100000204670 [0,1,0,0,0,0|2,0,1]=4 399 B6R0.3 CCN([13CH3])C(C)C 2230a_100000223864_200025704644 [0,1,0,0,0,0|2,0,1]=4 400 B6R0.3 CCN([13CH3])C(C)C 269982a_100000223864_200025704644 [0,1,0,0,0,0|2,0,1]=4 401 B6R0.3 CN(C)C(=O)CO 240690a_100102631434_100000210174 [0,1,0,0,0,0|1,0,0]=2 402 B6R0.3 CN(C)C(=O)CO 527a_100102631434_100000210174 [0,1,0,0,0,0|1,0,0]=2 403 B6R0.3 CNC(=O)C(=O)C 1458a_100011218921_200000210301 [0,1,0,0,0,0|3,0,0]=4 404 B6R0.3 CNC(=O)C(=O)[13CH3] 1458a_100011218921_200025704644 [0,1,0,0,0,0|3,0,0]=4 405 B6R0.3 CNC(=O)C(C)C 11a_106832991635_100000210198 [0,1,0,0,0,0|2,0,1]=4 406 B6R0.3 CNC(=O)C(C)C 1626a_100102657272_100000210198 [0,1,0,0,0,0|2,0,1]=4 407 B6R0.3 CNC(=O)C(C)C 240690a_100102657272_100000210198 [0,1,0,0,0,0|2,0,1]=4 408 B6R0.3 CNC(=O)C(C)C 527a_100102657272_100000210198 [0,1,0,0,0,0|2,0,1]=4 409 B6R0.3 CNC(=O)N(C)C 2708a_100102657272_100102631434 [0,1,0,0,0,0|3,0,0]=4 410 B6R0.3 C[C@@H](O)C(=O)CF 1458a_100000717761_100015361967 [0,1,0,0,0,0|2,0,1]=4 411 B6R0.3 C[C@H](CO)N(C)C 269982a_100102631434_100016084084 [0,1,0,0,0,0|1,0,1]=3 412 B6R0.3 C[C@H](O)C(=O)CF 1458a_217856618621_100015361967 [0,1,0,0,0,0|2,0,1]=4 413 B6R0.3 [13CH3]C(=O)C(O)CO 1458a_100011215603_200025704644 [0,1,0,0,0,0|1,0,1]=3 414 B6R0.4 C#CCCC(=O)C 1458a_100000070787_100000753159 [0,1,0,0,0,0|2,0,1]=4 415 B6R0.4 C#CCCC(=O)C 1458a_100000692101_200000210301 [0,1,0,0,0,0|2,0,1]=4 416 B6R0.4 C#CCCC(=O)[13CH3] 1458a_100000692101_200025704644 [0,1,0,0,0,0|2,0,1]=4 417 B6R0.4 C#CCCN(C)C 2230a_100102631434_100000688953 [0,1,0,0,0,0|2,0,1]=4 418 B6R0.4 C#CCCN(C)C 269982a_100102631434_100000730999 [0,1,0,0,0,0|2,0,1]=4 419 B6R0.4 C#CCNC(=O)C 11a_100000212058_100015343762 [0,1,0,0,0,0|3,0,0]=4 420 B6R0.4 C#CCNC(=O)C 1626a_100000212058_100015343762 [0,1,0,0,0,0|3,0,0]=4 421 B6R0.4 C#CCNC(=O)C 240690a_100000212058_100015343762 [0,1,0,0,0,0|3,0,0]=4 422 B6R0.4 C#CCNC(=O)C 527a_100000212058_100103153847 [0,1,0,0,0,0|3,0,0]=4 423 B6R0.4 C#CCNC(C)C 2230a_100138425928_100000038162 [0,1,0,0,0,0|2,0,1]=4 424 B6R0.4 C#CCNC(C)C 34a_100000212058_100000210206 [0,1,0,0,0,0|2,0,1]=4 425 B6R0.4 C#CCNC(C)C 34a_100138425928_100000184674 [0,1,0,0,0,0|2,0,1]=4 426 B6R0.4 C#CCOC(C)C 34a_100000210247_100000210206 [0,1,0,0,0,0|2,0,1]=4 427 B6R0.4 C#CCOC(C)C 34a_100000212225_100000184674 [0,1,0,0,0,0|2,0,1]=4 428 B6R0.4 C#CCSC(C)C 62a_100000038162_100000210206 [0,1,0,0,0,0|2,0,1]=4 429 B6R0.4 C/C=C/CC(=O)C 1458a_100000070787_100102629194 [0,1,0,0,0,0|2,0,1]=4 430 B6R0.4 C/C=C/CN(C)C 269982a_100102631434_100102629194 [0,1,0,0,0,0|2,0,1]=4 431 B6R0.4 C=C(Br)CCOC 34a_100009813270_200000210301 [0,1,0,0,0,0|1,0,2]=4 432 B6R0.4 C=C(Br)CCO[13CH3] 34a_100009813270_200025704644 [0,1,0,0,0,0|1,0,2]=4 433 B6R0.4 C=C(C)CCNC 2230a_106832991635_100000730704 [0,1,0,0,0,0|1,0,2]=4 434 B6R0.4 C=C(C)CCNC 34a_100102657272_100000730704 [0,1,0,0,0,0|1,0,2]=4 435 B6R0.4 C=C(C)CCNC 7a_106832991635_100000730704 [0,1,0,0,0,0|1,0,2]=4 436 B6R0.4 C=C(C)CCOC 34a_100000764851_200000210301 [0,1,0,0,0,0|0,0,2]=3 437 B6R0.4 C=C(C)CCOC 34a_100138415774_100000730704 [0,1,0,0,0,0|0,0,2]=3 438 B6R0.4 C=C(C)CCO[13CH3] 34a_100000764851_200025704644 [0,1,0,0,0,0|0,0,2]=3 439 B6R0.4 C=C(C)CCSC 62a_100000730704_200000210301 [0,1,0,0,0,0|0,1,2]=4 440 B6R0.4 C=C(C)CCSC 62a_200000210301_100000730704 [0,1,0,0,0,0|0,1,2]=4 441 B6R0.4 C=C(C)CCS[13CH3] 62a_100000730704_200025704644 [0,1,0,0,0,0|0,1,2]=4 442 B6R0.4 C=C(C)CCS[13CH3] 62a_200025704644_100000730704 [0,1,0,0,0,0|0,1,2]=4 443 B6R0.4 C=C(C)CNCC 2230a_100015525214_100000748629 [0,1,0,0,0,0|1,0,2]=4 444 B6R0.4 C=C(C)COCC 34a_100000210245_100000210202 [0,1,0,0,0,0|1,0,2]=4 445 B6R0.4 C=C(C)COCC 34a_100121572206_100000748629 [0,1,0,0,0,0|1,0,2]=4 446 B6R0.4 C=C(C)COCF 34a_100000210245_100015361967 [0,1,0,0,0,0|1,0,2]=4 447 B6R0.4 C=C(C)CSCC 62a_100000210202_100000211660 [0,1,0,0,0,0|1,0,2]=4 448 B6R0.4 C=C(C)CSCC 62a_100000748629_100000210202 [0,1,0,0,0,0|1,0,2]=4 449 B6R0.4 C=C(C)CSCF 62a_100000748629_100015361967 [0,1,0,0,0,0|1,0,2]=4 450 B6R0.4 C=C(C)CSCF 62a_100015361967_100000211660 [0,1,0,0,0,0|1,0,2]=4 451 B6R0.4 C=CC=CC(=O)C 1458a_100016291481_200000210301 [0,1,0,0,0,0|2,0,1]=4 452 B6R0.4 C=CC=CC(=O)[13CH3] 1458a_100016291481_200025704644 [0,1,0,0,0,0|2,0,1]=4 453 B6R0.4 C=CCCC(=O)C 1458a_100000070787_100000754431 [0,1,0,0,0,0|2,0,1]=4 454 B6R0.4 C=CCCC(=O)C 1458a_100000749702_200000210301 [0,1,0,0,0,0|2,0,1]=4 455 B6R0.4 C=CCCC(=O)[13CH3] 1458a_100000749702_200025704644 [0,1,0,0,0,0|2,0,1]=4 456 B6R0.4 C=CCCN(C)C 2230a_100020639649_200000210301 [0,1,0,0,0,0|2,0,1]=4 457 B6R0.4 C=CCCN(C)C 2230a_100102631434_100000754431 [0,1,0,0,0,0|2,0,1]=4 458 B6R0.4 C=CCCN(C)C 269982a_100020639649_200000210301 [0,1,0,0,0,0|2,0,1]=4 459 B6R0.4 C=CCCN(C)C 269982a_100102631434_100000754431 [0,1,0,0,0,0|2,0,1]=4 460 B6R0.4 C=CCCN(C)[13CH3] 2230a_100020639649_200025704644 [0,1,0,0,0,0|2,0,1]=4 461 B6R0.4 C=CCCN(C)[13CH3] 269982a_100020639649_200025704644 [0,1,0,0,0,0|2,0,1]=4 462 B6R0.4 C=CCNC(=O)C 1626a_100020586998_100015343762 [0,1,0,0,0,0|3,0,0]=4 463 B6R0.4 C=CCNC(=O)C 240690a_100020586998_100015343762 [0,1,0,0,0,0|3,0,0]=4 464 B6R0.4 C=CCNC(=O)C 527a_100020586998_100103153847 [0,1,0,0,0,0|3,0,0]=4 465 B6R0.4 C=CCNC(C)C 2230a_100020586998_100000210206 [0,1,0,0,0,0|2,0,1]=4 466 B6R0.4 C=CCNC(C)C 2230a_100138425928_100000210623 [0,1,0,0,0,0|2,0,1]=4 467 B6R0.4 C=CCNC(C)C 34a_100138425928_100015514636 [0,1,0,0,0,0|2,0,1]=4 468 B6R0.4 C=CCOC(C)C 34a_100000212225_100015514636 [0,1,0,0,0,0|2,0,1]=4 469 B6R0.4 C=CCOC(C)C 34a_200000210373_100000210206 [0,1,0,0,0,0|2,0,1]=4 470 B6R0.4 C=CCSC(C)C 62a_100000210206_100000210623 [0,1,0,0,0,0|2,0,1]=4 471 B6R0.4 C=CCSC(C)C 62a_100000210623_100000210206 [0,1,0,0,0,0|2,0,1]=4 472 B6R0.4 CC(=CCN[13CH3])C 34a_100000718196_200025704644 [0,1,0,0,0,0|1,0,0]=2 473 B6R0.4 CC(=CCO[13CH3])C 34a_100000753907_200025704644 [0,1,0,0,0,0|0,0,0]=1 474 B6R0.4 CC(=CCS[13CH3])C 62a_100000761012_200025704644 [0,1,0,0,0,0|0,1,0]=2 475 B6R0.4 CC(=CCS[13CH3])C 62a_200025704644_100000761012 [0,1,0,0,0,0|0,1,0]=2 476 B6R0.4 CC(=O)C#CCO 1458a_100000049017_200000210301 [0,1,0,0,0,0|1,0,1]=3 477 B6R0.4 CC(=O)CCC#N 1458a_100000070787_100011215226 [0,1,0,0,0,0|2,0,1]=4 478 B6R0.4 CC(=O)CCC#N 1458a_100011934036_200000210301 [0,1,0,0,0,0|2,0,1]=4 479 B6R0.4 CC(=O)CCCF 1458a_100000070787_100011934791 [0,1,0,0,0,0|2,0,1]=4 480 B6R0.4 CC(=O)CCCO 1458a_100000070787_100011215043 [0,1,0,0,0,0|1,0,1]=3 481 B6R0.4 CC(=O)CCO[13CH3] 34a_100000759926_200025704644 [0,1,0,0,0,0|1,0,1]=3 482 B6R0.4 CC(=O)CCO[13CH3] 7a_100000759926_200025704644 [0,1,0,0,0,0|1,0,1]=3 483 B6R0.4 CC(=O)CCS[13CH3] 62a_100000053229_200025704644 [0,1,0,0,0,0|1,1,1]=4 484 B6R0.4 CC(=O)CCS[13CH3] 62a_200025704644_100000053229 [0,1,0,0,0,0|1,1,1]=4 485 B6R0.4 CC(=O)COCF 34a_100000211253_100015361967 [0,1,0,0,0,0|2,0,1]=4 486 B6R0.4 CC(=O)NCC#N 1626a_100000734998_100015343762 [0,1,0,0,0,0|3,0,0]=4 487 B6R0.4 CC(=O)NCC#N 527a_100000734998_100103153847 [0,1,0,0,0,0|3,0,0]=4 488 B6R0.4 CC(=O)NCCF 11a_100000724931_100015343762 [0,1,0,0,0,0|2,0,1]=4 489 B6R0.4 CC(=O)NCCF 1626a_100000724931_100015343762 [0,1,0,0,0,0|2,0,1]=4 490 B6R0.4 CC(=O)NCCF 240690a_100000724931_100015343762 [0,1,0,0,0,0|2,0,1]=4 491 B6R0.4 CC(=O)NCCF 527a_100000724931_100103153847 [0,1,0,0,0,0|2,0,1]=4 492 B6R0.4 CC(=O)NCCO 240690a_100000210304_100015343762 [0,1,0,0,0,0|1,0,1]=3 493 B6R0.4 CC(=O)NCCO 527a_100000210304_100103153847 [0,1,0,0,0,0|1,0,1]=3 494 B6R0.4 CC(=O)OCS[13CH3] 62a_100000076356_200025704644 [0,1,0,0,0,0|2,1,0]=4 495 B6R0.4 CC(=O)OCS[13CH3] 62a_200025704644_100000076356 [0,1,0,0,0,0|2,1,0]=4 496 B6R0.4 CC(Br)CCO[13CH3] 34a_100009893172_200025704644 [0,1,0,0,0,0|1,0,2]=4 497 B6R0.4 CC(C)CCO[13CH3] 34a_100000210254_200025704644 [0,1,0,0,0,0|0,0,2]=3 498 B6R0.4 CC(C)CCO[13CH3] 7a_100000210254_200025704644 [0,1,0,0,0,0|0,0,2]=3 499 B6R0.4 CC(C)CCS[13CH3] 62a_100000210312_200025704644 [0,1,0,0,0,0|0,1,2]=4 500 B6R0.4 CC(C)CCS[13CH3] 62a_200025704644_100000210312 [0,1,0,0,0,0|0,1,2]=4 501 B6R0.4 CC(C)CNCF 34a_100000210953_100015361967 [0,1,0,0,0,0|1,0,2]=4 502 B6R0.4 CC(C)COCF 34a_100000210257_100015361967 [0,1,0,0,0,0|1,0,2]=4 503 B6R0.4 CC(C)CSCF 62a_100000210624_100015361967 [0,1,0,0,0,0|1,0,2]=4 504 B6R0.4 CC(C)CSCF 62a_100015361967_100000210760 [0,1,0,0,0,0|1,0,2]=4 505 B6R0.4 CC(C)NCC#N 2230a_100138425928_100011215382 [0,1,0,0,0,0|2,0,1]=4 506 B6R0.4 CC(C)NCC=O 2230a_100138425928_200015260668 [0,1,0,0,0,0|1,0,2]=4 507 B6R0.4 CC(C)NCC=O 34a_100138425928_200009817547 [0,1,0,0,0,0|1,0,2]=4 508 B6R0.4 CC(C)NCCF 2230a_100138425928_100011217306 [0,1,0,0,0,0|1,0,2]=4 509 B6R0.4 CC(C)NCCF 34a_100000724931_100000210206 [0,1,0,0,0,0|1,0,2]=4 510 B6R0.4 CC(C)NCCF 34a_100138425928_100011217306 [0,1,0,0,0,0|1,0,2]=4 511 B6R0.4 CC(C)NCCO 2230a_100016997473_100000210206 [0,1,0,0,0,0|0,0,2]=3 512 B6R0.4 CC(C)NCCO 2230a_100138425928_100000211926 [0,1,0,0,0,0|0,0,2]=3 513 B6R0.4 CC(C)NCCO 34a_100016990907_100000210206 [0,1,0,0,0,0|0,0,2]=3 514 B6R0.4 CC(C)NCCO 34a_100138425928_100000211926 [0,1,0,0,0,0|0,0,2]=3 515 B6R0.4 CC(C)OCC=O 34a_100000212225_200009817547 [0,1,0,0,0,0|1,0,2]=4 516 B6R0.4 CC(C)OCCBr 34a_100000211926_100000210206 [0,1,0,0,0,0|1,0,2]=4 517 B6R0.4 CC(C)OCCF 34a_100000212225_100011217306 [0,1,0,0,0,0|1,0,2]=4 518 B6R0.4 CC(C)OCCN 34a_100000210304_100000210206 [0,1,0,0,0,0|1,0,2]=4 519 B6R0.4 CC(C)OCCO 34a_100000212225_100000211926 [0,1,0,0,0,0|0,0,2]=3 520 B6R0.4 CC(C)OCS[13CH3] 62a_100000709892_200025704644 [0,1,0,0,0,0|1,1,1]=4 521 B6R0.4 CC(C)OCS[13CH3] 62a_200025704644_100000709892 [0,1,0,0,0,0|1,1,1]=4 522 B6R0.4 CC(C)SCC#N 62a_100000210206_100011215382 [0,1,0,0,0,0|2,0,1]=4 523 B6R0.4 CC(C)SCC#N 62a_100011215382_100000210206 [0,1,0,0,0,0|2,0,1]=4 524 B6R0.4 CC(C)SCC=O 62a_100000210206_200015260668 [0,1,0,0,0,0|1,0,2]=4 525 B6R0.4 CC(C)SCC=O 62a_200015260668_100000210206 [0,1,0,0,0,0|1,0,2]=4 526 B6R0.4 CC(C)SCCF 62a_100000210206_100011217306 [0,1,0,0,0,0|1,0,2]=4 527 B6R0.4 CC(C)SCCF 62a_100011217306_100000210206 [0,1,0,0,0,0|1,0,2]=4 528 B6R0.4 CC(C)SCCO 62a_100000210206_100000211926 [0,1,0,0,0,0|0,0,2]=3 529 B6R0.4 CC(C)SCCO 62a_100000211926_100000210206 [0,1,0,0,0,0|0,0,2]=3 530 B6R0.4 CC=CCC(=O)C 1458a_100000070787_100000070051 [0,1,0,0,0,0|2,0,1]=4 531 B6R0.4 CC=CCC(=O)C 1458a_100121576822_200000210301 [0,1,0,0,0,0|2,0,1]=4 532 B6R0.4 CC=CCC(=O)[13CH3] 1458a_100121576822_200025704644 [0,1,0,0,0,0|2,0,1]=4 533 B6R0.4 CC=CCN(C)C 2230a_100102631434_100000070051 [0,1,0,0,0,0|2,0,1]=4 534 B6R0.4 CCC#CC(=O)C 1458a_100011827653_200000210301 [0,1,0,0,0,0|2,0,1]=4 535 B6R0.4 CCC#CC(=O)[13CH3] 1458a_100011827653_200025704644 [0,1,0,0,0,0|2,0,1]=4 536 B6R0.4 CCC=CC(=O)C 1458a_100000212282_200000210301 [0,1,0,0,0,0|2,0,0]=3 537 B6R0.4 CCC=CC(=O)[13CH3] 1458a_100000212282_200025704644 [0,1,0,0,0,0|2,0,0]=3 538 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [0,1,0,0,0,0|2,0,1]=4 539 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [0,1,0,0,0,0|2,0,1]=4 540 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [0,1,0,0,0,0|2,0,1]=4 541 B6R0.4 CCCCN(C)C 2230a_100000207549_200000210301 [0,1,0,0,0,0|2,0,1]=4 542 B6R0.4 CCCCN(C)C 2230a_100102631434_100000210211 [0,1,0,0,0,0|2,0,1]=4 543 B6R0.4 CCCCN(C)C 269982a_100000207549_200000210301 [0,1,0,0,0,0|2,0,1]=4 544 B6R0.4 CCCCN(C)C 269982a_100102631434_100000210211 [0,1,0,0,0,0|2,0,1]=4 545 B6R0.4 CCCCN(C)[13CH3] 2230a_100000207549_200025704644 [0,1,0,0,0,0|2,0,1]=4 546 B6R0.4 CCCCN(C)[13CH3] 269982a_100000207549_200025704644 [0,1,0,0,0,0|2,0,1]=4 547 B6R0.4 CCCNC(=O)C 11a_100020643023_100015343762 [0,1,0,0,0,0|2,0,1]=4 548 B6R0.4 CCCNC(=O)C 1626a_100020643023_100015343762 [0,1,0,0,0,0|2,0,1]=4 549 B6R0.4 CCCNC(=O)C 240690a_100020643023_100015343762 [0,1,0,0,0,0|2,0,1]=4 550 B6R0.4 CCCNC(=O)C 527a_100020643023_100103153847 [0,1,0,0,0,0|2,0,1]=4 551 B6R0.4 CCCNC(C)C 2230a_100138425928_100000210303 [0,1,0,0,0,0|1,0,2]=4 552 B6R0.4 CCCNC(C)C 34a_100138425928_100000210303 [0,1,0,0,0,0|1,0,2]=4 553 B6R0.4 CCCOC(C)C 34a_100000210258_100000210206 [0,1,0,0,0,0|1,0,2]=4 554 B6R0.4 CCCOC(C)C 34a_100000212225_100000210303 [0,1,0,0,0,0|1,0,2]=4 555 B6R0.4 CCCSC(C)C 62a_100000210206_100000210303 [0,1,0,0,0,0|1,0,2]=4 556 B6R0.4 CCCSC(C)C 62a_100000210303_100000210206 [0,1,0,0,0,0|1,0,2]=4 557 B6R0.4 CCNCC(C)C 2230a_100000210953_100000210202 [0,1,0,0,0,0|1,0,2]=4 558 B6R0.4 CCNCC(C)C 2230a_100015525214_100000210760 [0,1,0,0,0,0|1,0,2]=4 559 B6R0.4 CCNCC(C)C 270004a_100015525214_100000210432 [0,1,0,0,0,0|1,0,2]=4 560 B6R0.4 CCNCC(C)C 34a_100000210953_100000210202 [0,1,0,0,0,0|1,0,2]=4 561 B6R0.4 CCNNC(=O)C 22a_100000756455_100000070787 [0,1,0,0,0,0|3,0,0]=4 562 B6R0.4 CCOCC(=O)C 1458a_100000211967_200000210301 [0,1,0,0,0,0|2,0,1]=4 563 B6R0.4 CCOCC(=O)C 34a_100000211253_100000210202 [0,1,0,0,0,0|2,0,1]=4 564 B6R0.4 CCOCC(=O)[13CH3] 1458a_100000211967_200025704644 [0,1,0,0,0,0|2,0,1]=4 565 B6R0.4 CCOCC(C)C 34a_100000210257_100000210202 [0,1,0,0,0,0|1,0,2]=4 566 B6R0.4 CCOCC(C)C 34a_100121572206_100000210624 [0,1,0,0,0,0|1,0,2]=4 567 B6R0.4 CCOCN(C)C 269982a_100102631434_100000739092 [0,1,0,0,0,0|2,0,1]=4 568 B6R0.4 CCSCC(=O)C 1458a_100000230394_200000210301 [0,1,0,0,0,0|2,0,1]=4 569 B6R0.4 CCSCC(=O)[13CH3] 1458a_100000230394_200025704644 [0,1,0,0,0,0|2,0,1]=4 570 B6R0.4 CCSCC(C)C 62a_100000210202_100000210760 [0,1,0,0,0,0|1,0,2]=4 571 B6R0.4 CCSCC(C)C 62a_100000210624_100000210202 [0,1,0,0,0,0|1,0,2]=4 572 B6R0.4 CN(C)CCC#N 2230a_100000184479_200000210301 [0,1,0,0,0,0|2,0,1]=4 573 B6R0.4 CN(C)CCC#N 2230a_100102631434_100011215226 [0,1,0,0,0,0|2,0,1]=4 574 B6R0.4 CN(C)CCC#N 269982a_100102631434_100011215226 [0,1,0,0,0,0|2,0,1]=4 575 B6R0.4 CN(C)CCCF 2230a_100102631434_100011934791 [0,1,0,0,0,0|2,0,1]=4 576 B6R0.4 CN(C)CCCF 269982a_100102631434_100011934791 [0,1,0,0,0,0|2,0,1]=4 577 B6R0.4 CN(C)CCCO 2230a_100000213112_200000210301 [0,1,0,0,0,0|1,0,1]=3 578 B6R0.4 CN(C)CCCO 2230a_100102631434_100000230001 [0,1,0,0,0,0|1,0,1]=3 579 B6R0.4 CN(C)CCCO 269982a_100000213112_200000210301 [0,1,0,0,0,0|1,0,1]=3 580 B6R0.4 CN(C)CCCO 269982a_100102631434_100011215043 [0,1,0,0,0,0|1,0,1]=3 581 B6R0.4 CN(C)CCS[13CH3] 62a_200025704644_100000755713 [0,1,0,0,0,0|1,1,1]=4 582 B6R0.4 CN([13CH3])CCC#N 2230a_100000184479_200025704644 [0,1,0,0,0,0|2,0,1]=4 583 B6R0.4 CN([13CH3])CCCO 2230a_100000213112_200025704644 [0,1,0,0,0,0|1,0,1]=3 584 B6R0.4 CN([13CH3])CCCO 269982a_100000213112_200025704644 [0,1,0,0,0,0|1,0,1]=3 585 B6R0.4 CNCC=C(C)C 2230a_106832991635_100000761012 [0,1,0,0,0,0|1,0,0]=2 586 B6R0.4 CNCC=C(C)C 34a_100000718196_200000210301 [0,1,0,0,0,0|1,0,0]=2 587 B6R0.4 CNCC=C(C)C 34a_100102657272_100000761012 [0,1,0,0,0,0|1,0,0]=2 588 B6R0.4 CNCC=C(C)C 7a_106832991635_100000761012 [0,1,0,0,0,0|1,0,0]=2 589 B6R0.4 CNCCC(=O)C 7a_106832991635_100000053229 [0,1,0,0,0,0|2,0,1]=4 590 B6R0.4 CNCCC(C)C 2230a_106832991635_100000210312 [0,1,0,0,0,0|1,0,2]=4 591 B6R0.4 CNCCC(C)C 269862a_106832991636_100000185833 [0,1,0,0,0,0|1,0,2]=4 592 B6R0.4 CNCCC(C)C 34a_100102657272_100000210312 [0,1,0,0,0,0|1,0,2]=4 593 B6R0.4 CNCCC(C)C 7a_106832991635_100000210626 [0,1,0,0,0,0|1,0,2]=4 594 B6R0.4 CNCCN(C)C 7a_106832991635_100000755713 [0,1,0,0,0,0|2,0,1]=4 595 B6R0.4 CNCOC(=O)C 34a_100102657272_100009813279 [0,1,0,0,0,0|3,0,0]=4 596 B6R0.4 CNCOC(C)C 2230a_106832991635_100000709892 [0,1,0,0,0,0|2,0,1]=4 597 B6R0.4 CNCOC(C)C 34a_100102657272_100000709892 [0,1,0,0,0,0|2,0,1]=4 598 B6R0.4 COC=CC(=O)C 1458a_100016268678_200000210301 [0,1,0,0,0,0|1,0,1]=3 599 B6R0.4 COC=CC(=O)[13CH3] 1458a_100016268678_200025704644 [0,1,0,0,0,0|1,0,1]=3 600 B6R0.4 COCC=C(C)C 34a_100000753907_200000210301 [0,1,0,0,0,0|0,0,0]=1 601 B6R0.4 COCC=C(C)C 34a_100138415774_100000761012 [0,1,0,0,0,0|0,0,0]=1 602 B6R0.4 COCCC(=O)C 1458a_100000070787_100000233755 [0,1,0,0,0,0|1,0,1]=3 603 B6R0.4 COCCC(=O)C 1458a_100000749529_200000210301 [0,1,0,0,0,0|1,0,1]=3 604 B6R0.4 COCCC(=O)C 34a_100000759926_200000210301 [0,1,0,0,0,0|1,0,1]=3 605 B6R0.4 COCCC(=O)C 7a_100000759926_200000210301 [0,1,0,0,0,0|1,0,1]=3 606 B6R0.4 COCCC(=O)N 34a_100000757172_200000210301 [0,1,0,0,0,0|2,0,1]=4 607 B6R0.4 COCCC(=O)N 34a_100138415774_100000731001 [0,1,0,0,0,0|2,0,1]=4 608 B6R0.4 COCCC(=O)N 7a_100000757172_200000210301 [0,1,0,0,0,0|2,0,1]=4 609 B6R0.4 COCCC(=O)[13CH3] 1458a_100000749529_200025704644 [0,1,0,0,0,0|1,0,1]=3 610 B6R0.4 COCCC(C)Br 34a_100009893172_200000210301 [0,1,0,0,0,0|1,0,2]=4 611 B6R0.4 COCCC(C)C 34a_100000210254_200000210301 [0,1,0,0,0,0|0,0,2]=3 612 B6R0.4 COCCC(C)C 34a_100138415774_100000210312 [0,1,0,0,0,0|0,0,2]=3 613 B6R0.4 COCCC(C)C 7a_100000210254_200000210301 [0,1,0,0,0,0|0,0,2]=3 614 B6R0.4 COCCC(C)O 34a_100138415774_100012276601 [0,1,0,0,0,0|1,0,2]=4 615 B6R0.4 COCCN(C)C 2230a_100000743101_200000210301 [0,1,0,0,0,0|1,0,1]=3 616 B6R0.4 COCCN(C)C 2230a_100102631434_100011201679 [0,1,0,0,0,0|1,0,1]=3 617 B6R0.4 COCCN(C)C 269982a_100000743101_200000210301 [0,1,0,0,0,0|1,0,1]=3 618 B6R0.4 COCCN(C)C 269982a_100102631434_100000233755 [0,1,0,0,0,0|1,0,1]=3 619 B6R0.4 COCCN(C)[13CH3] 2230a_100000743101_200025704644 [0,1,0,0,0,0|1,0,1]=3 620 B6R0.4 COCCN(C)[13CH3] 269982a_100000743101_200025704644 [0,1,0,0,0,0|1,0,1]=3 621 B6R0.4 COCC[C@@H](C)N 34a_100000706166_200000210301 [0,1,0,0,0,0|1,0,2]=4 622 B6R0.4 COCNC(C)C 2230a_100138425928_100000766300 [0,1,0,0,0,0|1,0,1]=3 623 B6R0.4 COCOC(=O)C 34a_100138415774_100009813279 [0,1,0,0,0,0|2,0,0]=3 624 B6R0.4 COCOC(C)C 34a_100138415774_100000709892 [0,1,0,0,0,0|1,0,1]=3 625 B6R0.4 COCSC(C)C 62a_100000210206_100000766300 [0,1,0,0,0,0|1,0,1]=3 626 B6R0.4 COCSC(C)C 62a_100000766300_100000210206 [0,1,0,0,0,0|1,0,1]=3 627 B6R0.4 CSCC=C(C)C 62a_100000761012_200000210301 [0,1,0,0,0,0|0,1,0]=2 628 B6R0.4 CSCC=C(C)C 62a_200000210301_100000761012 [0,1,0,0,0,0|0,1,0]=2 629 B6R0.4 CSCCC(=O)C 1458a_100000070787_100000751147 [0,1,0,0,0,0|1,1,1]=4 630 B6R0.4 CSCCC(=O)C 1458a_100000174002_200000210301 [0,1,0,0,0,0|1,1,1]=4 631 B6R0.4 CSCCC(=O)C 62a_100000053229_200000210301 [0,1,0,0,0,0|1,1,1]=4 632 B6R0.4 CSCCC(=O)C 62a_200000210301_100000053229 [0,1,0,0,0,0|1,1,1]=4 633 B6R0.4 CSCCC(=O)[13CH3] 1458a_100000174002_200025704644 [0,1,0,0,0,0|1,1,1]=4 634 B6R0.4 CSCCC(C)C 62a_100000210312_200000210301 [0,1,0,0,0,0|0,1,2]=4 635 B6R0.4 CSCCC(C)C 62a_200000210301_100000210312 [0,1,0,0,0,0|0,1,2]=4 636 B6R0.4 CSCCN(C)C 2230a_100000686725_200000210301 [0,1,0,0,0,0|1,1,1]=4 637 B6R0.4 CSCCN(C)C 2230a_100102631434_100000751147 [0,1,0,0,0,0|1,1,1]=4 638 B6R0.4 CSCCN(C)C 269982a_100000686725_200000210301 [0,1,0,0,0,0|1,1,1]=4 639 B6R0.4 CSCCN(C)C 269982a_100102631434_100000212216 [0,1,0,0,0,0|1,1,1]=4 640 B6R0.4 CSCCN(C)C 62a_200000210301_100000755713 [0,1,0,0,0,0|1,1,1]=4 641 B6R0.4 CSCCN(C)[13CH3] 2230a_100000686725_200025704644 [0,1,0,0,0,0|1,1,1]=4 642 B6R0.4 CSCCN(C)[13CH3] 269982a_100000686725_200025704644 [0,1,0,0,0,0|1,1,1]=4 643 B6R0.4 CSCNC(C)C 2230a_100138425928_100011218213 [0,1,0,0,0,0|1,1,1]=4 644 B6R0.4 CSCNC(C)C 34a_100138425928_100011218213 [0,1,0,0,0,0|1,1,1]=4 645 B6R0.4 CSCOC(=O)C 62a_100000076356_200000210301 [0,1,0,0,0,0|2,1,0]=4 646 B6R0.4 CSCOC(=O)C 62a_200000210301_100000076356 [0,1,0,0,0,0|2,1,0]=4 647 B6R0.4 CSCOC(C)C 34a_100000212225_100011218213 [0,1,0,0,0,0|1,1,1]=4 648 B6R0.4 CSCOC(C)C 62a_100000709892_200000210301 [0,1,0,0,0,0|1,1,1]=4 649 B6R0.4 CSCOC(C)C 62a_200000210301_100000709892 [0,1,0,0,0,0|1,1,1]=4 650 B6R0.4 CSCSC(C)C 62a_100000210206_100011218213 [0,1,0,0,0,0|1,1,1]=4 651 B6R0.4 CSCSC(C)C 62a_100011218213_100000210206 [0,1,0,0,0,0|1,1,1]=4 652 B6R0.4 C[C@@H](N)CCO[13CH3] 34a_100000706166_200025704644 [0,1,0,0,0,0|1,0,2]=4 653 B6R0.4 [13CH3]C(=O)C#CCO 1458a_100000049017_200025704644 [0,1,0,0,0,0|1,0,1]=3 654 B6R0.4 [13CH3]C(=O)CCC#N 1458a_100011934036_200025704644 [0,1,0,0,0,0|2,0,1]=4 655 B6R0.4 [13CH3]OCCC(=O)N 34a_100000757172_200025704644 [0,1,0,0,0,0|2,0,1]=4 656 B6R0.4 [13CH3]OCCC(=O)N 7a_100000757172_200025704644 [0,1,0,0,0,0|2,0,1]=4 657 B6R0.5 CC(C)(C)OCF 34a_100015890283_100015361967 [0,1,0,0,0,0|2,0,1]=4 658 B6R0.5 CC(C)(C)OCF 7a_100015890283_100015361967 [0,1,0,0,0,0|2,0,1]=4 659 B6R0.5 CC(C)(C)SCF 62a_100000211941_100015361967 [0,1,0,0,0,0|2,0,1]=4 660 B6R0.5 CC(C)(C)SCF 62a_100015361967_100000211941 [0,1,0,0,0,0|2,0,1]=4 661 B6R0.5 CCNC(C)(C)C 2230a_100000715429_100000210202 [0,1,0,0,0,0|2,0,1]=4 662 B6R0.5 CCOC(C)(C)C 34a_100015890283_100000210202 [0,1,0,0,0,0|2,0,1]=4 663 B6R0.5 CCOC(C)(C)C 34a_100121572206_100000210625 [0,1,0,0,0,0|2,0,1]=4 664 B6R0.5 CCOC(C)(C)C 7a_100015890283_100000210202 [0,1,0,0,0,0|2,0,1]=4 665 B6R0.5 CCSC(C)(C)C 62a_100000210202_100000211941 [0,1,0,0,0,0|2,0,1]=4 666 B6R0.5 CCSC(C)(C)C 62a_100000211941_100000210202 [0,1,0,0,0,0|2,0,1]=4 667 B6R1.2 CN1CCCC1 2230a_100000188435_200000210301 [0,0,0,1,0,0|2,0,1]=4 668 B6R1.2 CN1CCCC1 269982a_100000188435_200000210301 [0,0,0,1,0,0|2,0,1]=4 669 B6R1.2 CN1CCSC1 2230a_100011215254_200000210301 [0,0,0,1,0,0|1,1,1]=4 670 B6R1.2 CN1CCSC1 269982a_100011215254_200000210301 [0,0,0,1,0,0|1,1,1]=4 671 B6R1.2 Oc1ccoc1 271570a_203496583355_100011215275 [0,0,0,1,0,0|1,0,2]=4 672 B6R1.2 Oc1cnoc1 271570a_203496583355_100009815712 [0,0,0,1,0,0|2,0,1]=4 673 B6R1.2 [13CH3]N1CCCC1 2230a_100000188435_200025704644 [0,0,0,1,0,0|2,0,1]=4 674 B6R1.2 [13CH3]N1CCCC1 269982a_100000188435_200025704644 [0,0,0,1,0,0|2,0,1]=4 675 B6R1.2 [13CH3]N1CCSC1 2230a_100011215254_200025704644 [0,0,0,1,0,0|1,1,1]=4 676 B6R1.2 [13CH3]N1CCSC1 269982a_100011215254_200025704644 [0,0,0,1,0,0|1,1,1]=4 677 B6R1.3 CCNC1CC1 34a_100000212008_100000210202 [0,0,0,1,0,0|2,0,1]=4 678 B6R1.3 CCOC1CC1 34a_100121572206_100000211595 [0,0,0,1,0,0|2,0,1]=4 679 B6R1.3 CCSC1CC1 62a_100000210202_100000211595 [0,0,0,1,0,0|2,0,1]=4 680 B6R1.3 FCNC1CC1 34a_100000212008_100015361967 [0,0,0,1,0,0|2,0,1]=4 681 B6R1.3 FCSC1CC1 62a_100015361967_100000211595 [0,0,0,1,0,0|2,0,1]=4 682 B6R1.5 CC1CN(C1)C 2230a_100000702820_200000210301 [0,0,0,1,0,0|2,0,1]=4 683 B6R1.5 CC1CN(C1)C 269982a_100000702820_200000210301 [0,0,0,1,0,0|2,0,1]=4 684 B6R1.5 CC1CN(C1)C 34a_100000702820_200000210301 [0,0,0,1,0,0|2,0,1]=4 685 B6R1.5 CC1CN(C1)[13CH3] 2230a_100000702820_200025704644 [0,0,0,1,0,0|2,0,1]=4 686 B6R1.5 CC1CN(C1)[13CH3] 269982a_100000702820_200025704644 [0,0,0,1,0,0|2,0,1]=4 687 B6R1.5 CC1CN(C1)[13CH3] 34a_100000702820_200025704644 [0,0,0,1,0,0|2,0,1]=4 688 B6R1.5 CN1CC(C1)F 2230a_100000690557_200000210301 [0,0,0,1,0,0|2,0,1]=4 689 B6R1.5 CN1CC(C1)F 269982a_100000690557_200000210301 [0,0,0,1,0,0|2,0,1]=4 690 B6R1.5 CN1CC(C1)F 34a_100000690557_200000210301 [0,0,0,1,0,0|2,0,1]=4 691 B6R1.5 CN1CC(C1)O 269982a_100000749847_200000210301 [0,0,0,1,0,0|1,0,1]=3 692 B6R1.5 [13CH3]N1CC(C1)F 2230a_100000690557_200025704644 [0,0,0,1,0,0|2,0,1]=4 693 B6R1.5 [13CH3]N1CC(C1)F 269982a_100000690557_200025704644 [0,0,0,1,0,0|2,0,1]=4 694 B6R1.5 [13CH3]N1CC(C1)F 34a_100000690557_200025704644 [0,0,0,1,0,0|2,0,1]=4 695 B6R1.5 [13CH3]N1CC(C1)O 269982a_100000749847_200025704644 [0,0,0,1,0,0|1,0,1]=3 696 B6R1.11 CC(=O)C1CC1 1458a_100000210395_200000210301 [0,0,0,1,0,0|2,0,1]=4 697 B6R1.11 CC(=O)C1CO1 1458a_100000701028_200000210301 [0,0,0,1,0,0|1,0,1]=3 698 B6R1.11 CN(C)C1CC1 2230a_100000226674_200000210301 [0,0,0,1,0,0|2,0,1]=4 699 B6R1.11 CN(C)C1CC1 269982a_100000226674_200000210301 [0,0,0,1,0,0|2,0,1]=4 700 B6R1.11 CN(C)C1CC1 269982a_100102631434_100000211595 [0,0,0,1,0,0|2,0,1]=4 701 B6R1.11 CN([13CH3])C1CC1 2230a_100000226674_200025704644 [0,0,0,1,0,0|2,0,1]=4 702 B6R1.11 CN([13CH3])C1CC1 269982a_100000226674_200025704644 [0,0,0,1,0,0|2,0,1]=4 703 B6R1.11 [13CH3]C(=O)C1CC1 1458a_100000210395_200025704644 [0,0,0,1,0,0|2,0,1]=4 704 B6R1.11 [13CH3]C(=O)C1CO1 1458a_100000701028_200025704644 [0,0,0,1,0,0|1,0,1]=3 705 B3R0.1 CCNC 2230a_100015525214_200000210301 [2,0,0,0,0,0|1,0,1]=4 706 B3R0.1 CCNC 2230a_106832991635_100000210202 [2,0,0,0,0,0|1,0,1]=4 707 B3R0.1 CCNC 34a_100102657272_100000210202 [2,0,0,0,0,0|1,0,1]=4 708 B3R0.1 CCNC 7a_106832991635_100000210202 [2,0,0,0,0,0|1,0,1]=4 709 B3R0.1 CCN[13CH3] 2230a_100015525214_200025704644 [2,0,0,0,0,0|1,0,1]=4 710 B3R0.1 CCOC 34a_100121572206_200000210301 [2,0,0,0,0,0|1,0,1]=4 711 B3R0.1 CCOC 34a_100138415774_100000210202 [2,0,0,0,0,0|1,0,1]=4 712 B3R0.1 CCO[13CH3] 34a_100121572206_200025704644 [2,0,0,0,0,0|1,0,1]=4 713 B3R0.1 CCSC 62a_100000210202_200000210301 [2,0,0,0,0,0|1,0,1]=4 714 B3R0.1 CCSC 62a_200000210301_100000210202 [2,0,0,0,0,0|1,0,1]=4 715 B3R0.1 CCS[13CH3] 62a_100000210202_200025704644 [2,0,0,0,0,0|1,0,1]=4 716 B3R0.1 CCS[13CH3] 62a_200025704644_100000210202 [2,0,0,0,0,0|1,0,1]=4 717 B3R0.1 CNCF 34a_100102657272_100015361967 [2,0,0,0,0,0|2,0,0]=4 718 B3R0.1 CNCF 7a_106832991635_100015361967 [2,0,0,0,0,0|2,0,0]=4 719 B3R0.1 COCF 34a_100138415774_100015361967 [2,0,0,0,0,0|2,0,0]=4 720 B3R0.1 CSCF 62a_100015361967_200000210301 [2,0,0,0,0,0|2,0,0]=4 721 B3R0.1 CSCF 62a_200000210301_100015361967 [2,0,0,0,0,0|2,0,0]=4 722 B3R0.1 [13CH3]SCF 62a_100015361967_200025704644 [2,0,0,0,0,0|2,0,0]=4 723 B3R0.1 [13CH3]SCF 62a_200025704644_100015361967 [2,0,0,0,0,0|2,0,0]=4 724 B3R0.2 CC(=O)C 1458a_100000070787_200000210301 [2,0,0,0,0,0|0,0,1]=3 725 B3R0.2 CC(=O)[13CH3] 1458a_100000070787_200025704644 [2,0,0,0,0,0|0,0,1]=3 726 B3R0.2 CN(C)C 2230a_100102631434_200000210301 [2,0,0,0,0,0|1,0,0]=3 727 B3R0.2 CN(C)C 269982a_100102631434_200000210301 [2,0,0,0,0,0|1,0,0]=3 728 B3R0.2 CN(C)[13CH3] 2230a_100102631434_200025704644 [2,0,0,0,0,0|1,0,0]=3 729 B3R0.2 CN(C)[13CH3] 269982a_100102631434_200025704644 [2,0,0,0,0,0|1,0,0]=3 730 B5R0.3 C=CC(=O)CC 1458a_100000185746_100000210202 [1,1,0,0,0,0|1,0,1]=4 731 B5R0.3 C=CC(=O)CF 1458a_100000185746_100015361967 [1,1,0,0,0,0|1,0,1]=4 732 B5R0.3 C=CC(=O)NC 1626a_100102657272_100000185746 [1,1,0,0,0,0|1,0,1]=4 733 B5R0.3 C=CC(=O)NC 240690a_100102657272_200121576911 [1,1,0,0,0,0|1,0,1]=4 734 B5R0.3 C=CC(C)OC 34a_100000695699_200000210301 [1,1,0,0,0,0|0,0,2]=4 735 B5R0.3 C=CC(C)O[13CH3] 34a_100000695699_200025704644 [1,1,0,0,0,0|0,0,2]=4 736 B5R0.3 C=CC(C)SC 62a_100011215867_200000210301 [1,1,0,0,0,0|0,0,2]=4 737 B5R0.3 C=CC(C)S[13CH3] 62a_100011215867_200025704644 [1,1,0,0,0,0|0,0,2]=4 738 B5R0.3 CC(CF)O[13CH3] 34a_100016041109_200025704644 [1,1,0,0,0,0|1,0,1]=4 739 B5R0.3 CC(CF)O[13CH3] 7a_100016041109_200025704644 [1,1,0,0,0,0|1,0,1]=4 740 B5R0.3 CC(CN)O[13CH3] 34a_100000210904_200025704644 [1,1,0,0,0,0|1,0,1]=4 741 B5R0.3 CC(CO)S[13CH3] 62a_100012180447_200025704644 [1,1,0,0,0,0|0,0,1]=3 742 B5R0.3 CCC(=O)CC 1458a_100000210414_100000210202 [1,1,0,0,0,0|1,0,1]=4 743 B5R0.3 CCC(=O)CF 1458a_100000210414_100015361967 [1,1,0,0,0,0|1,0,1]=4 744 B5R0.3 CCC(=O)CO 1458a_100000210174_100000210202 [1,1,0,0,0,0|1,0,0]=3 745 B5R0.3 CCC(=O)NC 11a_106832991635_100000210414 [1,1,0,0,0,0|1,0,1]=4 746 B5R0.3 CCC(=O)NC 1626a_100102657272_100000210414 [1,1,0,0,0,0|1,0,1]=4 747 B5R0.3 CCC(=O)NC 240690a_100102657272_100000210414 [1,1,0,0,0,0|1,0,1]=4 748 B5R0.3 CCC(=O)NC 527a_100102657272_100000210414 [1,1,0,0,0,0|1,0,1]=4 749 B5R0.3 CCC(C)NC 2230a_100000209981_200000210301 [1,1,0,0,0,0|0,0,2]=4 750 B5R0.3 CCC(C)NC 2230a_106832991635_100000758301 [1,1,0,0,0,0|0,0,2]=4 751 B5R0.3 CCC(C)NC 34a_100102657272_100011215416 [1,1,0,0,0,0|0,0,2]=4 752 B5R0.3 CCC(C)NC 7a_106832991635_100000758301 [1,1,0,0,0,0|0,0,2]=4 753 B5R0.3 CCC(C)N[13CH3] 2230a_100000209981_200025704644 [1,1,0,0,0,0|0,0,2]=4 754 B5R0.3 CCC(C)OC 34a_100138415774_100011215416 [1,1,0,0,0,0|0,0,2]=4 755 B5R0.3 CCC(C)OC 7a_100000210228_200000210301 [1,1,0,0,0,0|0,0,2]=4 756 B5R0.3 CCC(C)O[13CH3] 7a_100000210228_200025704644 [1,1,0,0,0,0|0,0,2]=4 757 B5R0.3 CCC(C)SC 62a_100000758301_200000210301 [1,1,0,0,0,0|0,0,2]=4 758 B5R0.3 CCC(C)SC 62a_200000210301_100000758301 [1,1,0,0,0,0|0,0,2]=4 759 B5R0.3 CCC(C)S[13CH3] 62a_100000758301_200025704644 [1,1,0,0,0,0|0,0,2]=4 760 B5R0.3 CCC(C)S[13CH3] 62a_200025704644_100000758301 [1,1,0,0,0,0|0,0,2]=4 761 B5R0.3 CCN(C)CC 2230a_100000225621_100000210202 [1,1,0,0,0,0|1,0,1]=4 762 B5R0.3 CCN(C)CC 2230a_100000724800_200000210301 [1,1,0,0,0,0|1,0,1]=4 763 B5R0.3 CCN(C)CC 269956a_100000042499_200000210301 [1,1,0,0,0,0|1,0,1]=4 764 B5R0.3 CCN(C)CC 269982a_100000225621_100000204670 [1,1,0,0,0,0|1,0,1]=4 765 B5R0.3 CCN(C)CC 269982a_100000724800_200000210301 [1,1,0,0,0,0|1,0,1]=4 766 B5R0.3 CCN(C)CF 269982a_100000225621_100015361967 [1,1,0,0,0,0|1,0,1]=4 767 B5R0.3 CCN([13CH3])CC 2230a_100000724800_200025704644 [1,1,0,0,0,0|1,0,1]=4 768 B5R0.3 CCN([13CH3])CC 269956a_100000042499_200025704644 [1,1,0,0,0,0|1,0,1]=4 769 B5R0.3 CCN([13CH3])CC 269982a_100000724800_200025704644 [1,1,0,0,0,0|1,0,1]=4 770 B5R0.3 CNC(=O)CO 240690a_100102657272_100000210174 [1,1,0,0,0,0|1,0,0]=3 771 B5R0.3 CNC(=O)CO 527a_100102657272_100000210174 [1,1,0,0,0,0|1,0,0]=3 772 B5R0.3 CNC(=O)NC 2708a_100102657272_106832991635 [1,1,0,0,0,0|2,0,0]=4 773 B5R0.3 CNC(=O)NC 273464a_100102657272_100102657272 [1,1,0,0,0,0|2,0,0]=4 774 B5R0.3 CNC(=O)NC 512a_106832991638_100102657272 [1,1,0,0,0,0|2,0,0]=4 775 B5R0.3 CNC(C)CO 2230a_106832991635_100012180447 [1,1,0,0,0,0|0,0,1]=3 776 B5R0.3 CNC(C)CO 34a_100102657272_100012180447 [1,1,0,0,0,0|0,0,1]=3 777 B5R0.3 CNC(C)CO 7a_106832991635_100012180447 [1,1,0,0,0,0|0,0,1]=3 778 B5R0.3 CN[C@H](C)CO 2230a_100000737577_200000210301 [1,1,0,0,0,0|0,0,1]=3 779 B5R0.3 COC(C)CF 34a_100016041109_200000210301 [1,1,0,0,0,0|1,0,1]=4 780 B5R0.3 COC(C)CF 7a_100016041109_200000210301 [1,1,0,0,0,0|1,0,1]=4 781 B5R0.3 COC(C)CN 34a_100000210904_200000210301 [1,1,0,0,0,0|1,0,1]=4 782 B5R0.3 COC(C)CO 34a_100138415774_100012180447 [1,1,0,0,0,0|0,0,1]=3 783 B5R0.3 COC(C)SC 62a_100009879195_200000210301 [1,1,0,0,0,0|1,0,1]=4 784 B5R0.3 COC(C)SC 62a_200000210301_100009879195 [1,1,0,0,0,0|1,0,1]=4 785 B5R0.3 COC(C)S[13CH3] 62a_100009879195_200025704644 [1,1,0,0,0,0|1,0,1]=4 786 B5R0.3 COC(C)S[13CH3] 62a_200025704644_100009879195 [1,1,0,0,0,0|1,0,1]=4 787 B5R0.3 CSC(C)CO 62a_100012180447_200000210301 [1,1,0,0,0,0|0,0,1]=3 788 B5R0.3 CS[C@H](C)CO 62a_100016084084_200000210301 [1,1,0,0,0,0|0,0,1]=3 789 B5R0.3 CS[C@H](C)CO 62a_200000210301_100016084084 [1,1,0,0,0,0|0,0,1]=3 790 B5R0.3 C[C@H](CO)N[13CH3] 2230a_100000737577_200025704644 [1,1,0,0,0,0|0,0,1]=3 791 B5R0.3 C[C@H](CO)S[13CH3] 62a_100016084084_200025704644 [1,1,0,0,0,0|0,0,1]=3 792 B5R0.3 C[C@H](CO)S[13CH3] 62a_200025704644_100016084084 [1,1,0,0,0,0|0,0,1]=3 793 B5R0.3 O=C(CO)CF 1458a_100000210174_100015361967 [1,1,0,0,0,0|1,0,0]=3 794 B5R0.4 CC(C)(C)N[13CH3] 2230a_100000715429_200025704644 [1,1,0,0,0,0|1,0,1]=4 795 B5R0.4 CC(C)(C)O[13CH3] 34a_100015890283_200025704644 [1,1,0,0,0,0|1,0,1]=4 796 B5R0.4 CC(C)(C)O[13CH3] 7a_100015890283_200025704644 [1,1,0,0,0,0|1,0,1]=4 797 B5R0.4 CC(C)(C)S[13CH3] 62a_100000211941_200025704644 [1,1,0,0,0,0|1,0,1]=4 798 B5R0.4 CC(C)(C)S[13CH3] 62a_200025704644_100000211941 [1,1,0,0,0,0|1,0,1]=4 799 B5R0.4 CNC(C)(C)C 2230a_100000715429_200000210301 [1,1,0,0,0,0|1,0,1]=4 800 B5R0.4 CNC(C)(C)C 34a_100102657272_100000210625 [1,1,0,0,0,0|1,0,1]=4 801 B5R0.4 COC(C)(C)C 34a_100015890283_200000210301 [1,1,0,0,0,0|1,0,1]=4 802 B5R0.4 COC(C)(C)C 34a_100138415774_100000210625 [1,1,0,0,0,0|1,0,1]=4 803 B5R0.4 COC(C)(C)C 7a_100015890283_200000210301 [1,1,0,0,0,0|1,0,1]=4 804 B5R0.4 CSC(C)(C)C 62a_100000211941_200000210301 [1,1,0,0,0,0|1,0,1]=4 805 B5R0.4 CSC(C)(C)C 62a_200000210301_100000211941 [1,1,0,0,0,0|1,0,1]=4 806 B5R0.5 C=C(C)C(=O)C 1458a_100000185857_200000210301 [1,1,0,0,0,0|0,0,1]=3 807 B5R0.5 C=C(C)C(=O)[13CH3] 1458a_100000185857_200025704644 [1,1,0,0,0,0|0,0,1]=3 808 B5R0.5 CC(=O)C(C)C 1458a_100000070787_100000210206 [1,1,0,0,0,0|0,0,1]=3 809 B5R0.5 CC(=O)C(C)C 1458a_100000210198_200000210301 [1,1,0,0,0,0|0,0,1]=3 810 B5R0.5 CC(=O)C(C)F 1458a_100000062450_200000210301 [1,1,0,0,0,0|1,0,1]=4 811 B5R0.5 CC(=O)C(O)O 1458a_100000233687_200000210301 [1,1,0,0,0,0|1,0,0]=3 812 B5R0.5 CC(=O)N(C)C 11a_100102631434_100015343762 [1,1,0,0,0,0|1,0,0]=3 813 B5R0.5 CC(=O)N(C)C 1626a_100102631434_100015343762 [1,1,0,0,0,0|1,0,0]=3 814 B5R0.5 CC(=O)N(C)C 240690a_100102631434_100015343762 [1,1,0,0,0,0|1,0,0]=3 815 B5R0.5 CC(=O)N(C)C 527a_100102631434_100103153847 [1,1,0,0,0,0|1,0,0]=3 816 B5R0.5 CC(=O)[C@@H](C)O 1458a_100000717761_200000210301 [1,1,0,0,0,0|1,0,0]=3 817 B5R0.5 CC(=O)[C@H](C)O 1458a_217856618621_200000210301 [1,1,0,0,0,0|1,0,0]=3 818 B5R0.5 CC(C)C(=O)[13CH3] 1458a_100000210198_200025704644 [1,1,0,0,0,0|0,0,1]=3 819 B5R0.5 CC(C)N(C)C 2230a_100102631434_100000210206 [1,1,0,0,0,0|1,0,1]=4 820 B5R0.5 CC(C)N(C)C 269982a_100102631434_100000210206 [1,1,0,0,0,0|1,0,1]=4 821 B5R0.5 CC(C)N(C)C 269982a_200000211004_200000210301 [1,1,0,0,0,0|1,0,1]=4 822 B5R0.5 CC(C)N(C)[13CH3] 269982a_200000211004_200025704644 [1,1,0,0,0,0|1,0,1]=4 823 B5R0.5 CC(F)C(=O)[13CH3] 1458a_100000062450_200025704644 [1,1,0,0,0,0|1,0,1]=4 824 B5R0.5 C[C@@H](O)C(=O)[13CH3] 1458a_100000717761_200025704644 [1,1,0,0,0,0|1,0,0]=3 825 B5R0.5 C[C@H](O)C(=O)[13CH3] 1458a_217856618621_200025704644 [1,1,0,0,0,0|1,0,0]=3 826 B5R0.5 [13CH3]C(=O)C(O)O 1458a_100000233687_200025704644 [1,1,0,0,0,0|1,0,0]=3 827 B5R0.2 C/C=C/CNC 34a_100102657272_100102629194 [1,1,0,0,0,0|1,0,0]=3 828 B5R0.2 C/C=C/CNC 7a_106832991635_100102629194 [1,1,0,0,0,0|1,0,0]=3 829 B5R0.2 C/C=C/COC 34a_100016270725_200000210301 [1,1,0,0,0,0|0,0,0]=2 830 B5R0.2 C/C=C/COC 34a_100138415774_100102629194 [1,1,0,0,0,0|0,0,0]=2 831 B5R0.2 C/C=C/CO[13CH3] 34a_100016270725_200025704644 [1,1,0,0,0,0|0,0,0]=2 832 B5R0.2 C/C=C/CSC 62a_100102629194_200000210301 [1,1,0,0,0,0|0,1,0]=3 833 B5R0.2 C/C=C/CSC 62a_200000210301_100102629194 [1,1,0,0,0,0|0,1,0]=3 834 B5R0.2 C/C=C/CS[13CH3] 62a_100102629194_200025704644 [1,1,0,0,0,0|0,1,0]=3 835 B5R0.2 C/C=C/CS[13CH3] 62a_200025704644_100102629194 [1,1,0,0,0,0|0,1,0]=3 836 B5R0.2 C=CCCOC 34a_100011205117_200000210301 [1,1,0,0,0,0|0,0,2]=4 837 B5R0.2 C=CCCOC 34a_100138415774_100000754431 [1,1,0,0,0,0|0,0,2]=4 838 B5R0.2 C=CCCO[13CH3] 34a_100011205117_200025704644 [1,1,0,0,0,0|0,0,2]=4 839 B5R0.2 CC#CCOC 34a_100000761923_200000210301 [1,1,0,0,0,0|0,0,2]=4 840 B5R0.2 CC#CCOC 34a_100138415774_100000748600 [1,1,0,0,0,0|0,0,2]=4 841 B5R0.2 CC#CCO[13CH3] 34a_100000761923_200025704644 [1,1,0,0,0,0|0,0,2]=4 842 B5R0.2 CC=CCNC 2230a_106832991635_100000070051 [1,1,0,0,0,0|1,0,0]=3 843 B5R0.2 CC=CCNC 34a_100102657272_100000070051 [1,1,0,0,0,0|1,0,0]=3 844 B5R0.2 CC=CCNC 7a_106832991635_100000070051 [1,1,0,0,0,0|1,0,0]=3 845 B5R0.2 CC=CCOC 34a_100138415774_100000070051 [1,1,0,0,0,0|0,0,0]=2 846 B5R0.2 CC=CCSC 62a_100000070051_200000210301 [1,1,0,0,0,0|0,1,0]=3 847 B5R0.2 CC=CCSC 62a_200000210301_100000070051 [1,1,0,0,0,0|0,1,0]=3 848 B5R0.2 CC=CCS[13CH3] 62a_100000070051_200025704644 [1,1,0,0,0,0|0,1,0]=3 849 B5R0.2 CC=CCS[13CH3] 62a_200025704644_100000070051 [1,1,0,0,0,0|0,1,0]=3 850 B5R0.2 CC=NNCC 4a_100000756455_200000210099 [1,1,0,0,0,0|2,0,0]=4 851 B5R0.2 CCCCOC 34a_100000210227_200000210301 [1,1,0,0,0,0|0,0,2]=4 852 B5R0.2 CCCCOC 34a_100138415774_100000210210 [1,1,0,0,0,0|0,0,2]=4 853 B5R0.2 CCCCOC 7a_100000210227_200000210301 [1,1,0,0,0,0|0,0,2]=4 854 B5R0.2 CCCCO[13CH3] 34a_100000210227_200025704644 [1,1,0,0,0,0|0,0,2]=4 855 B5R0.2 CCCCO[13CH3] 7a_100000210227_200025704644 [1,1,0,0,0,0|0,0,2]=4 856 B5R0.2 CCNCCO 2230a_100015525214_100000211926 [1,1,0,0,0,0|0,0,2]=4 857 B5R0.2 CCNCCO 2230a_100016997473_100000210202 [1,1,0,0,0,0|0,0,2]=4 858 B5R0.2 CCNCCO 34a_100016990907_100000210202 [1,1,0,0,0,0|0,0,2]=4 859 B5R0.2 CCNCOC 2230a_100015525214_100000766300 [1,1,0,0,0,0|1,0,1]=4 860 B5R0.2 CCOCCO 34a_100121572206_100000211926 [1,1,0,0,0,0|0,0,2]=4 861 B5R0.2 CCSCCO 62a_100000210202_100000211926 [1,1,0,0,0,0|0,0,2]=4 862 B5R0.2 CCSCCO 62a_100000211926_100000210202 [1,1,0,0,0,0|0,0,2]=4 863 B5R0.2 CCSCOC 62a_100000210202_100000766300 [1,1,0,0,0,0|1,0,1]=4 864 B5R0.2 CCSCOC 62a_100000766300_100000210202 [1,1,0,0,0,0|1,0,1]=4 865 B5R0.2 CNCCCO 2230a_106832991635_100000230001 [1,1,0,0,0,0|0,0,2]=4 866 B5R0.2 CNCCCO 34a_100102657272_100000230001 [1,1,0,0,0,0|0,0,2]=4 867 B5R0.2 CNCCCO 7a_106832991635_100011215043 [1,1,0,0,0,0|0,0,2]=4 868 B5R0.2 CNCCOC 2230a_100000209980_200000210301 [1,1,0,0,0,0|1,0,1]=4 869 B5R0.2 CNCCOC 2230a_106832991635_100011201679 [1,1,0,0,0,0|1,0,1]=4 870 B5R0.2 CNCCOC 34a_100102657272_100011201679 [1,1,0,0,0,0|1,0,1]=4 871 B5R0.2 CNCCOC 7a_106832991635_100000233755 [1,1,0,0,0,0|1,0,1]=4 872 B5R0.2 COCCCO 34a_100138415774_100000230001 [1,1,0,0,0,0|0,0,2]=4 873 B5R0.2 COCCN[13CH3] 2230a_100000209980_200025704644 [1,1,0,0,0,0|1,0,1]=4 874 B5R0.2 COCCOC 34a_100000210237_200000210301 [1,1,0,0,0,0|1,0,1]=4 875 B5R0.2 COCCOC 34a_100138415774_100011201679 [1,1,0,0,0,0|1,0,1]=4 876 B5R0.2 COCCON 34a_100000700252_200000210301 [1,1,0,0,0,0|1,0,1]=4 877 B5R0.2 COCCO[13CH3] 34a_100000210237_200025704644 [1,1,0,0,0,0|1,0,1]=4 878 B5R0.2 COCCSC 34a_100000230434_200000210301 [1,1,0,0,0,0|1,0,1]=4 879 B5R0.2 COCCSC 34a_100138415774_100000212216 [1,1,0,0,0,0|1,0,1]=4 880 B5R0.2 COCCSC 62a_100000233755_200000210301 [1,1,0,0,0,0|1,0,1]=4 881 B5R0.2 COCCSC 62a_200000210301_100000233755 [1,1,0,0,0,0|1,0,1]=4 882 B5R0.2 COCCSC 7a_100000230434_200000210301 [1,1,0,0,0,0|1,0,1]=4 883 B5R0.2 COCCS[13CH3] 62a_100000233755_200025704644 [1,1,0,0,0,0|1,0,1]=4 884 B5R0.2 COCCS[13CH3] 62a_200025704644_100000233755 [1,1,0,0,0,0|1,0,1]=4 885 B5R0.2 CSCCCO 62a_100011215043_200000210301 [1,1,0,0,0,0|0,0,2]=4 886 B5R0.2 CSCCCO 62a_200000210301_100011215043 [1,1,0,0,0,0|0,0,2]=4 887 B5R0.2 CSCCO[13CH3] 34a_100000230434_200025704644 [1,1,0,0,0,0|1,0,1]=4 888 B5R0.2 CSCCO[13CH3] 7a_100000230434_200025704644 [1,1,0,0,0,0|1,0,1]=4 889 B5R0.2 OCCNCF 34a_100016990907_100015361967 [1,1,0,0,0,0|1,0,1]=4 890 B5R0.2 OCCSCF 62a_100000211926_100015361967 [1,1,0,0,0,0|1,0,1]=4 891 B5R0.2 OCCSCF 62a_100015361967_100000211926 [1,1,0,0,0,0|1,0,1]=4 892 B5R0.2 [13CH3]OCCON 34a_100000700252_200025704644 [1,1,0,0,0,0|1,0,1]=4 893 B5R0.2 [13CH3]SCCCO 62a_100011215043_200025704644 [1,1,0,0,0,0|0,0,2]=4 894 B5R0.2 [13CH3]SCCCO 62a_200025704644_100011215043 [1,1,0,0,0,0|0,0,2]=4 895 B7R0.2 C=C(C)CC(=O)CC 1458a_100000210414_100000748629 [0,2,0,0,0,0|1,0,1]=4 896 B7R0.2 C=C(C)CC(=O)CO 1458a_100000210174_100000748629 [0,2,0,0,0,0|0,0,1]=3 897 B7R0.2 C=C(F)CC(=O)CO 1458a_100000210174_100009893438 [0,2,0,0,0,0|1,0,1]=4 898 B7R0.2 C=CC(O)CN(C)C 2230a_100102631434_100000730141 [0,2,0,0,0,0|1,0,1]=4 899 B7R0.2 CC(=CC(=O)CF)C 1458a_100000211388_100015361967 [0,2,0,0,0,0|1,0,0]=3 900 B7R0.2 CC(=CC(=O)CF)Cl 1458a_200042562850_100015361967 [0,2,0,0,0,0|2,0,0]=4 901 B7R0.2 CC(=CC(=O)CF)I 1458a_100025716642_100015361967 [0,2,0,0,0,0|2,0,0]=4 902 B7R0.2 CC(=CC(C)O[13CH3])C 34a_100000717055_200025704644 [0,2,0,0,0,0|0,0,0]=2 903 B7R0.2 CC(=O)C[C@@H](C)CO 1458a_100000070787_100000059175 [0,2,0,0,0,0|1,0,1]=4 904 B7R0.2 CC(=O)N[C@H](C)CO 240690a_100000737577_100015343762 [0,2,0,0,0,0|1,0,1]=4 905 B7R0.2 CC(=O)N[C@H](C)CO 527a_100000737577_100103153847 [0,2,0,0,0,0|1,0,1]=4 906 B7R0.2 CC(C)CC(=O)CF 1458a_100000210554_100015361967 [0,2,0,0,0,0|1,0,1]=4 907 B7R0.2 CC(C)CC(=O)CO 1458a_100000210174_100000210624 [0,2,0,0,0,0|0,0,1]=3 908 B7R0.2 CC(C)CC(C)O[13CH3] 34a_100000211805_200025704644 [0,2,0,0,0,0|0,0,2]=4 909 B7R0.2 CC(C)CC(C)O[13CH3] 7a_100000211805_200025704644 [0,2,0,0,0,0|0,0,2]=4 910 B7R0.2 CC(C)NC(=O)CO 240690a_100138425928_100000210174 [0,2,0,0,0,0|0,0,1]=3 911 B7R0.2 CC(C)NC(=O)CO 527a_100138425928_100000210174 [0,2,0,0,0,0|0,0,1]=3 912 B7R0.2 CC(C)NC(C)CO 2230a_100138425928_100012180447 [0,2,0,0,0,0|0,0,2]=4 913 B7R0.2 CC(C)NC(C)CO 34a_100138425928_100012180447 [0,2,0,0,0,0|0,0,2]=4 914 B7R0.2 CC(C)N[C@H](C)CO 2230a_100000737577_100000210206 [0,2,0,0,0,0|0,0,2]=4 915 B7R0.2 CC(C)OC(C)CO 34a_100000212225_100012180447 [0,2,0,0,0,0|0,0,2]=4 916 B7R0.2 CC(C)SC(C)CO 62a_100012180447_100000210206 [0,2,0,0,0,0|0,0,2]=4 917 B7R0.2 CC(C)S[C@H](C)CO 62a_100000210206_100016084084 [0,2,0,0,0,0|0,0,2]=4 918 B7R0.2 CC(C)S[C@H](C)CO 62a_100016084084_100000210206 [0,2,0,0,0,0|0,0,2]=4 919 B7R0.2 CC(O)CC(=O)CO 1458a_100000210174_100011218427 [0,2,0,0,0,0|1,0,1]=4 920 B7R0.2 CC(O)CN(C)CF 269982a_100000227577_100015361967 [0,2,0,0,0,0|1,0,1]=4 921 B7R0.2 CCC(=CC(=O)C)C 1458a_100020758463_200000210301 [0,2,0,0,0,0|0,0,2]=4 922 B7R0.2 CCC(=CC(=O)[13CH3])C 1458a_100020758463_200025704644 [0,2,0,0,0,0|0,0,2]=4 923 B7R0.2 CCC(=O)C=C(C)C 1458a_100000211388_100000210202 [0,2,0,0,0,0|1,0,0]=3 924 B7R0.2 CCC(=O)C=C(C)Cl 1458a_200042562850_100000210202 [0,2,0,0,0,0|2,0,0]=4 925 B7R0.2 CCC(=O)C=C(C)I 1458a_100025716642_100000210202 [0,2,0,0,0,0|2,0,0]=4 926 B7R0.2 CCC(=O)CC(=O)C 1458a_100000070787_100000747405 [0,2,0,0,0,0|2,0,0]=4 927 B7R0.2 CCC(=O)CC(C)C 1458a_100000210414_100000210624 [0,2,0,0,0,0|1,0,1]=4 928 B7R0.2 CCC(=O)CC(C)C 1458a_100000210554_100000210202 [0,2,0,0,0,0|1,0,1]=4 929 B7R0.2 CCC(=O)CC(C)O 1458a_100000210414_100011218427 [0,2,0,0,0,0|1,0,1]=4 930 B7R0.2 CCC(=O)CN(C)C 1458a_100000750896_100000210202 [0,2,0,0,0,0|2,0,0]=4 931 B7R0.2 CCC(=O)CN(C)C 269982a_100102631434_100000747405 [0,2,0,0,0,0|2,0,0]=4 932 B7R0.2 CCC(=O)C[C@@H](C)O 1458a_100011933948_100000210202 [0,2,0,0,0,0|1,0,1]=4 933 B7R0.2 CCC(=O)C[S+](C)C 1458a_200159257847_100000210202 [0,2,0,0,0,0|2,0,0]=4 934 B7R0.2 CCC(=O)NC(C)C 11a_100138425928_100000210414 [0,2,0,0,0,0|1,0,1]=4 935 B7R0.2 CCC(=O)NC(C)C 1626a_100138425928_100000210414 [0,2,0,0,0,0|1,0,1]=4 936 B7R0.2 CCC(=O)NC(C)C 240690a_100138425928_100000210414 [0,2,0,0,0,0|1,0,1]=4 937 B7R0.2 CCC(=O)NC(C)C 527a_100138425928_100000210414 [0,2,0,0,0,0|1,0,1]=4 938 B7R0.2 CCC(O)CC(=O)C 1458a_100000070787_100011218378 [0,2,0,0,0,0|1,0,1]=4 939 B7R0.2 CCC(O)CC(=O)C 1458a_100011667805_200000210301 [0,2,0,0,0,0|1,0,1]=4 940 B7R0.2 CCC(O)CC(=O)[13CH3] 1458a_100011667805_200025704644 [0,2,0,0,0,0|1,0,1]=4 941 B7R0.2 CCC(O)CN(C)C 2230a_100102631434_100011218378 [0,2,0,0,0,0|1,0,1]=4 942 B7R0.2 CCC(O)CN(C)C 269982a_100102631434_100011218378 [0,2,0,0,0,0|1,0,1]=4 943 B7R0.2 CCN(C)CC(C)O 2230a_100000225621_100011218427 [0,2,0,0,0,0|1,0,1]=4 944 B7R0.2 CCN(C)CC(C)O 2230a_100000227577_100000210202 [0,2,0,0,0,0|1,0,1]=4 945 B7R0.2 CCN(C)CC(C)O 269982a_100000225621_100011218427 [0,2,0,0,0,0|1,0,1]=4 946 B7R0.2 CCN(C)CC(C)O 269982a_100000227577_100000204670 [0,2,0,0,0,0|1,0,1]=4 947 B7R0.2 CCN(C)C[C@@H](C)O 2230a_100000225621_100009817552 [0,2,0,0,0,0|1,0,1]=4 948 B7R0.2 CCN(C)C[C@@H](C)O 269982a_100000225621_100009817552 [0,2,0,0,0,0|1,0,1]=4 949 B7R0.2 CCN(C)C[C@H](C)O 2230a_100000729506_200000210301 [0,2,0,0,0,0|1,0,1]=4 950 B7R0.2 CCN(C)C[C@H](C)O 269982a_100000729506_200000210301 [0,2,0,0,0,0|1,0,1]=4 951 B7R0.2 CCN([13CH3])C[C@H](C)O 2230a_100000729506_200025704644 [0,2,0,0,0,0|1,0,1]=4 952 B7R0.2 CCN([13CH3])C[C@H](C)O 269982a_100000729506_200025704644 [0,2,0,0,0,0|1,0,1]=4 953 B7R0.2 CN(C)CC(=O)CF 1458a_100000750896_100015361967 [0,2,0,0,0,0|2,0,0]=4 954 B7R0.2 CN(C)CC(O)CO 2230a_100011216503_200000210301 [0,2,0,0,0,0|1,0,1]=4 955 B7R0.2 CN(C)CC(O)CO 2230a_100102631434_100011219619 [0,2,0,0,0,0|1,0,1]=4 956 B7R0.2 CN(C)CC(O)CO 269982a_100011216503_200000210301 [0,2,0,0,0,0|1,0,1]=4 957 B7R0.2 CN(C)C[C@@H](O)CF 2230a_100102631434_100015614560 [0,2,0,0,0,0|1,0,1]=4 958 B7R0.2 CN(C)C[C@@H](O)CO 2230a_100102631434_100009815848 [0,2,0,0,0,0|1,0,1]=4 959 B7R0.2 CN([13CH3])CC(O)CO 2230a_100011216503_200025704644 [0,2,0,0,0,0|1,0,1]=4 960 B7R0.2 CN([13CH3])CC(O)CO 269982a_100011216503_200025704644 [0,2,0,0,0,0|1,0,1]=4 961 B7R0.2 CNC(=O)C=C(C)C 11a_106832991635_100000211388 [0,2,0,0,0,0|0,0,2]=4 962 B7R0.2 CNC(=O)C=C(C)C 1626a_100102657272_100000211388 [0,2,0,0,0,0|0,0,2]=4 963 B7R0.2 CNC(=O)C=C(C)C 240690a_100102657272_100000211388 [0,2,0,0,0,0|0,0,2]=4 964 B7R0.2 CNC(=O)C[C@@H](C)O 240690a_100102657272_100011933948 [0,2,0,0,0,0|1,0,1]=4 965 B7R0.2 COC(C)C=C(C)C 34a_100000717055_200000210301 [0,2,0,0,0,0|0,0,0]=2 966 B7R0.2 COC(C)CC(C)C 34a_100000211805_200000210301 [0,2,0,0,0,0|0,0,2]=4 967 B7R0.2 COC(C)CC(C)C 34a_100138415774_100000731052 [0,2,0,0,0,0|0,0,2]=4 968 B7R0.2 COC(C)CC(C)C 7a_100000211805_200000210301 [0,2,0,0,0,0|0,0,2]=4 969 B7R0.2 COC(C)SC(C)C 62a_100000210206_100009879195 [0,2,0,0,0,0|1,0,1]=4 970 B7R0.2 COC(C)SC(C)C 62a_100009879195_100000210206 [0,2,0,0,0,0|1,0,1]=4 971 B7R0.2 C[C@@H](CO)CN(C)C 2230a_100102631434_100000059175 [0,2,0,0,0,0|1,0,1]=4 972 B7R0.2 C[C@@H](CO)CN(C)C 269982a_100102631434_100000059175 [0,2,0,0,0,0|1,0,1]=4 973 B7R0.2 C[C@@H](O)CC(=O)CF 1458a_100011933948_100015361967 [0,2,0,0,0,0|1,0,1]=4 974 B7R0.2 C[S+](C)CC(=O)CF 1458a_200159257847_100015361967 [0,2,0,0,0,0|2,0,0]=4 975 B7R0.2 NC(=O)CC(=O)CO 1458a_100000210174_100000187820 [0,2,0,0,0,0|2,0,0]=4 976 B7R0.2 O=C([O-])CC(=O)CO 1458a_100000210174_100020667443 [0,2,0,0,0,0|2,0,0]=4 977 B7R0.3 C#C/C(=C\COC)/C 34a_100016990848_200000210301 [0,2,0,0,0,0|0,0,1]=3 978 B7R0.3 C#C/C(=C\CO[13CH3])/C 34a_100016990848_200025704644 [0,2,0,0,0,0|0,0,1]=3 979 B7R0.3 CC(CF)OCCO 34a_100016041109_100000211926 [0,2,0,0,0,0|0,0,2]=4 980 B7R0.3 CC(CF)OCCO 7a_100016041109_100000211926 [0,2,0,0,0,0|0,0,2]=4 981 B7R0.3 CC(CN)OCCO 34a_100000210904_100000211926 [0,2,0,0,0,0|0,0,2]=4 982 B7R0.3 CC(CO)NCCO 2230a_100016997473_100012180447 [0,2,0,0,0,0|0,0,2]=4 983 B7R0.3 CC(CO)NCCO 34a_100016990907_100012180447 [0,2,0,0,0,0|0,0,2]=4 984 B7R0.3 CC(CO)SCCO 62a_100012180447_100000211926 [0,2,0,0,0,0|0,0,2]=4 985 B7R0.3 CCC(=O)C#CCO 1458a_100000049017_100000210202 [0,2,0,0,0,0|1,0,1]=4 986 B7R0.3 CCC(=O)C=COC 1458a_100016268678_100000210202 [0,2,0,0,0,0|1,0,1]=4 987 B7R0.3 CCC(=O)CCCO 1458a_100000210414_100011215043 [0,2,0,0,0,0|1,0,1]=4 988 B7R0.3 CCC(=O)CCOC 1458a_100000210414_100000233755 [0,2,0,0,0,0|1,0,1]=4 989 B7R0.3 CCC(=O)CCOC 1458a_100000749529_100000210202 [0,2,0,0,0,0|1,0,1]=4 990 B7R0.3 CCC(=O)NCCO 240690a_100000210304_100000210414 [0,2,0,0,0,0|1,0,1]=4 991 B7R0.3 CCC(=O)NCCO 527a_100000210304_100000210414 [0,2,0,0,0,0|1,0,1]=4 992 B7R0.3 CCC(C)CCOC 7a_100011215188_200000210301 [0,2,0,0,0,0|0,0,2]=4 993 B7R0.3 CCC(C)CCO[13CH3] 7a_100011215188_200025704644 [0,2,0,0,0,0|0,0,2]=4 994 B7R0.3 CCC(C)NCCO 2230a_100000209981_100000211926 [0,2,0,0,0,0|0,0,2]=4 995 B7R0.3 CCC(C)NCCO 2230a_100016997473_100000758301 [0,2,0,0,0,0|0,0,2]=4 996 B7R0.3 CCC(C)NCCO 34a_100016990907_100011215416 [0,2,0,0,0,0|0,0,2]=4 997 B7R0.3 CCC(C)NCOC 2230a_100000209981_100000766300 [0,2,0,0,0,0|1,0,1]=4 998 B7R0.3 CCC(C)OCCO 7a_100000210228_100000211926 [0,2,0,0,0,0|0,0,2]=4 999 B7R0.3 CCC(C)SCCO 62a_100000211926_100000758301 [0,2,0,0,0,0|0,0,2]=4 1000 B7R0.3 CCC(C)SCCO 62a_100000758301_100000211926 [0,2,0,0,0,0|0,0,2]=4 1001 B7R0.3 CCC(C)SCOC 62a_100000758301_100000766300 [0,2,0,0,0,0|1,0,1]=4 1002 B7R0.3 CCC(C)SCOC 62a_100000766300_100000758301 [0,2,0,0,0,0|1,0,1]=4 1003 B7R0.3 CCC=CC(=O)CC 1458a_100000212282_100000210202 [0,2,0,0,0,0|2,0,0]=4 1004 B7R0.3 CCC=CC(=O)CF 1458a_100000212282_100015361967 [0,2,0,0,0,0|2,0,0]=4 1005 B7R0.3 CCC=CC(=O)NC 11a_106832991635_100000212282 [0,2,0,0,0,0|2,0,0]=4 1006 B7R0.3 CCC=CC(=O)NC 1626a_100102657272_100000212282 [0,2,0,0,0,0|2,0,0]=4 1007 B7R0.3 CCC=CC(=O)NC 240690a_100102657272_100000212282 [0,2,0,0,0,0|2,0,0]=4 1008 B7R0.3 CCN(C)CCCO 2230a_100000213112_100000210202 [0,2,0,0,0,0|1,0,1]=4 1009 B7R0.3 CCN(C)CCCO 2230a_100000225621_100000230001 [0,2,0,0,0,0|1,0,1]=4 1010 B7R0.3 CCN(C)CCCO 269982a_100000213112_100000204670 [0,2,0,0,0,0|1,0,1]=4 1011 B7R0.3 CCN(C)CCCO 269982a_100000225621_100011215043 [0,2,0,0,0,0|1,0,1]=4 1012 B7R0.3 CCN(C)CCOC 2230a_100000225621_100011201679 [0,2,0,0,0,0|1,0,1]=4 1013 B7R0.3 CCN(C)CCOC 2230a_100000731262_200000210301 [0,2,0,0,0,0|1,0,1]=4 1014 B7R0.3 CCN(C)CCOC 2230a_100000743101_100000210202 [0,2,0,0,0,0|1,0,1]=4 1015 B7R0.3 CCN(C)CCOC 269982a_100000225621_100000233755 [0,2,0,0,0,0|1,0,1]=4 1016 B7R0.3 CCN(C)CCOC 269982a_100000731262_200000210301 [0,2,0,0,0,0|1,0,1]=4 1017 B7R0.3 CCN(C)CCOC 269982a_100000743101_100000204670 [0,2,0,0,0,0|1,0,1]=4 1018 B7R0.3 CCN([13CH3])CCOC 2230a_100000731262_200025704644 [0,2,0,0,0,0|1,0,1]=4 1019 B7R0.3 CCN([13CH3])CCOC 269982a_100000731262_200025704644 [0,2,0,0,0,0|1,0,1]=4 1020 B7R0.3 CCNN=C(C)CF 4a_100000756455_100000039719 [0,2,0,0,0,0|2,0,0]=4 1021 B7R0.3 CCNN=C(C)CO 4a_100000756455_100000211253 [0,2,0,0,0,0|2,0,0]=4 1022 B7R0.3 CN(CF)CCCO 269982a_100000213112_100015361967 [0,2,0,0,0,0|1,0,1]=4 1023 B7R0.3 CNC(=O)C=COC 1626a_100102657272_100016268678 [0,2,0,0,0,0|1,0,1]=4 1024 B7R0.3 CNC(=O)C=COC 240690a_100102657272_100016268678 [0,2,0,0,0,0|1,0,1]=4 1025 B7R0.3 CNC(=O)CCOC 11a_106832991635_100000749529 [0,2,0,0,0,0|1,0,1]=4 1026 B7R0.3 CNC(=O)CCOC 1626a_100102657272_100000749529 [0,2,0,0,0,0|1,0,1]=4 1027 B7R0.3 CNC(=O)CCOC 240690a_100102657272_100000749529 [0,2,0,0,0,0|1,0,1]=4 1028 B7R0.3 CNC(=O)CCOC 34a_100000754576_200000210301 [0,2,0,0,0,0|1,0,1]=4 1029 B7R0.3 CNC(=O)CCOC 34a_100138415774_100012179268 [0,2,0,0,0,0|1,0,1]=4 1030 B7R0.3 CNC(=O)CCOC 527a_100102657272_100000749529 [0,2,0,0,0,0|1,0,1]=4 1031 B7R0.3 CNC(=O)CCO[13CH3] 34a_100000754576_200025704644 [0,2,0,0,0,0|1,0,1]=4 1032 B7R0.3 CNC(=O)NCCO 2708a_100102657272_100000210304 [0,2,0,0,0,0|1,0,1]=4 1033 B7R0.3 CNC(=O)NCCO 273464a_100000210304_100102657272 [0,2,0,0,0,0|1,0,1]=4 1034 B7R0.3 CNC(=O)NCCO 273464a_100102657272_100000210304 [0,2,0,0,0,0|1,0,1]=4 1035 B7R0.3 CNC(=O)NCCO 512a_106832991638_100000210304 [0,2,0,0,0,0|1,0,1]=4 1036 B7R0.3 CNC(C)CCOC 270004a_106832991635_100000742357 [0,2,0,0,0,0|0,0,2]=4 1037 B7R0.3 COC(C)CCO[13CH3] 7a_100000764861_200025704644 [0,2,0,0,0,0|0,0,2]=4 1038 B7R0.3 COC(C)SCCO 62a_100000211926_100009879195 [0,2,0,0,0,0|0,0,2]=4 1039 B7R0.3 COC(C)SCCO 62a_100009879195_100000211926 [0,2,0,0,0,0|0,0,2]=4 1040 B7R0.3 COC=CC(=O)CF 1458a_100016268678_100015361967 [0,2,0,0,0,0|1,0,1]=4 1041 B7R0.3 COCCC(=O)CF 1458a_100000749529_100015361967 [0,2,0,0,0,0|1,0,1]=4 1042 B7R0.3 COCCC(=O)CO 1458a_100000210174_100000233755 [0,2,0,0,0,0|1,0,1]=4 1043 B7R0.3 COCCC(=O)OC 34a_100138415774_100000742370 [0,2,0,0,0,0|1,0,1]=4 1044 B7R0.3 COCCC(C)OC 7a_100000764861_200000210301 [0,2,0,0,0,0|0,0,2]=4 1045 B7R0.3 COCCN(C)CF 269982a_100000743101_100015361967 [0,2,0,0,0,0|1,0,1]=4 1046 B7R0.3 COCN[C@H](C)CO 2230a_100000737577_100000766300 [0,2,0,0,0,0|1,0,1]=4 1047 B7R0.3 COCSC(C)CO 62a_100012180447_100000766300 [0,2,0,0,0,0|1,0,1]=4 1048 B7R0.3 COCSC(C)OC 62a_100000766300_100009879195 [0,2,0,0,0,0|1,0,1]=4 1049 B7R0.3 COCSC(C)OC 62a_100009879195_100000766300 [0,2,0,0,0,0|1,0,1]=4 1050 B7R0.3 COCS[C@H](C)CO 62a_100000766300_100016084084 [0,2,0,0,0,0|1,0,1]=4 1051 B7R0.3 COCS[C@H](C)CO 62a_100016084084_100000766300 [0,2,0,0,0,0|1,0,1]=4 1052 B7R0.3 C[C@H](CO)NCCO 2230a_100000737577_100000211926 [0,2,0,0,0,0|0,0,2]=4 1053 B7R0.3 C[C@H](CO)SCCO 62a_100000211926_100016084084 [0,2,0,0,0,0|0,0,2]=4 1054 B7R0.3 C[C@H](CO)SCCO 62a_100016084084_100000211926 [0,2,0,0,0,0|0,0,2]=4 1055 B7R0.3 O=C(C#CCO)CF 1458a_100000049017_100015361967 [0,2,0,0,0,0|1,0,1]=4 1056 B7R0.3 O=C(CO)CCCO 1458a_100000210174_100011215043 [0,2,0,0,0,0|1,0,1]=4 1057 B7R0.3 O=C(CO)NCCO 240690a_100000210304_100000210174 [0,2,0,0,0,0|1,0,1]=4 1058 B7R0.3 O=C(CO)NCCO 527a_100000210304_100000210174 [0,2,0,0,0,0|1,0,1]=4 1059 B7R0.5 C#CCC(=O)C(=C)C 1458a_100000185857_100000184674 [0,2,0,0,0,0|1,0,1]=4 1060 B7R0.5 C#CCC(=O)C(C)C 1458a_100000210198_100000184674 [0,2,0,0,0,0|1,0,1]=4 1061 B7R0.5 C#CCC(=O)C(C)C 1458a_100011220946_100000210206 [0,2,0,0,0,0|1,0,1]=4 1062 B7R0.5 C#CCC(=O)N(C)C 1626a_100102631434_100011220946 [0,2,0,0,0,0|2,0,0]=4 1063 B7R0.5 C#CCC(=O)N(C)C 527a_100102631434_100011220946 [0,2,0,0,0,0|2,0,0]=4 1064 B7R0.5 C=C(C)C(=O)CC#N 1458a_100000185857_100011214920 [0,2,0,0,0,0|1,0,1]=4 1065 B7R0.5 C=C(C)C(=O)CCC 1458a_100000185857_100000210303 [0,2,0,0,0,0|1,0,1]=4 1066 B7R0.5 C=C(C)C(=O)CCF 1458a_100000185857_100011217306 [0,2,0,0,0,0|1,0,1]=4 1067 B7R0.5 C=C(C)C(=O)CCO 1458a_100000185857_100000211926 [0,2,0,0,0,0|0,0,1]=3 1068 B7R0.5 C=C(C)C(=O)NCC 11a_100015525214_100000185857 [0,2,0,0,0,0|1,0,1]=4 1069 B7R0.5 C=CCC(=O)C(=C)C 1458a_100000185857_100000210623 [0,2,0,0,0,0|1,0,1]=4 1070 B7R0.5 C=CCC(=O)C(C)C 1458a_100000210193_100000210206 [0,2,0,0,0,0|1,0,1]=4 1071 B7R0.5 C=CCC(=O)C(C)C 1458a_100000210198_100000210623 [0,2,0,0,0,0|1,0,1]=4 1072 B7R0.5 C=CCC(=O)N(C)C 11a_100102631434_100000210193 [0,2,0,0,0,0|2,0,0]=4 1073 B7R0.5 C=CCC(=O)N(C)C 1626a_100102631434_100000210193 [0,2,0,0,0,0|2,0,0]=4 1074 B7R0.5 C=CCC(=O)N(C)C 240690a_100102631434_100000210193 [0,2,0,0,0,0|2,0,0]=4 1075 B7R0.5 C=CCC(=O)N(C)C 527a_100102631434_100000210193 [0,2,0,0,0,0|2,0,0]=4 1076 B7R0.5 CC(=O)C(=O)CS[13CH3] 62a_100011261029_200025704644 [0,2,0,0,0,0|1,1,0]=4 1077 B7R0.5 CC(=O)C(=O)CS[13CH3] 62a_200025704644_100011261029 [0,2,0,0,0,0|1,1,0]=4 1078 B7R0.5 CC(=O)C(C)CCO 1458a_100000070787_100009893172 [0,2,0,0,0,0|0,0,2]=4 1079 B7R0.5 CC(=O)C(C)CO[13CH3] 34a_100000032740_200025704644 [0,2,0,0,0,0|1,0,1]=4 1080 B7R0.5 CC(=O)C(C)CO[13CH3] 7a_100000032740_200025704644 [0,2,0,0,0,0|1,0,1]=4 1081 B7R0.5 CC(=O)N(C)CCO 240690a_100000210263_100015343762 [0,2,0,0,0,0|1,0,1]=4 1082 B7R0.5 CC(=O)N(C)CCO 527a_100000210263_100103153847 [0,2,0,0,0,0|1,0,1]=4 1083 B7R0.5 CC(C)C(=O)CC#N 1458a_100000210198_100011214920 [0,2,0,0,0,0|1,0,1]=4 1084 B7R0.5 CC(C)C(=O)CC#N 1458a_100051588842_100000210206 [0,2,0,0,0,0|1,0,1]=4 1085 B7R0.5 CC(C)C(=O)CCF 1458a_100000210198_100011217306 [0,2,0,0,0,0|1,0,1]=4 1086 B7R0.5 CC(C)C(=O)CCO 1458a_100000210198_100000211926 [0,2,0,0,0,0|0,0,1]=3 1087 B7R0.5 CC(C)C(=O)CCO 1458a_100011216618_100000210206 [0,2,0,0,0,0|0,0,1]=3 1088 B7R0.5 CC(C)C(=O)CS[13CH3] 62a_100000753385_200025704644 [0,2,0,0,0,0|0,1,1]=4 1089 B7R0.5 CC(C)C(=O)CS[13CH3] 62a_200025704644_100000753385 [0,2,0,0,0,0|0,1,1]=4 1090 B7R0.5 CC(C)N(C)CCO 2230a_100000210263_100000210206 [0,2,0,0,0,0|0,0,2]=4 1091 B7R0.5 CC(C)N(C)CCO 2230a_100000224655_200000210301 [0,2,0,0,0,0|0,0,2]=4 1092 B7R0.5 CC(C)N(C)CCO 269982a_100000210263_100000210206 [0,2,0,0,0,0|0,0,2]=4 1093 B7R0.5 CC(C)N(C)CCO 269982a_100000224655_200000210301 [0,2,0,0,0,0|0,0,2]=4 1094 B7R0.5 CC(C)N(C)CCO 269982a_200000211004_100000211926 [0,2,0,0,0,0|0,0,2]=4 1095 B7R0.5 CC(C)N([13CH3])CCO 2230a_100000224655_200025704644 [0,2,0,0,0,0|0,0,2]=4 1096 B7R0.5 CC(C)N([13CH3])CCO 269982a_100000224655_200025704644 [0,2,0,0,0,0|0,0,2]=4 1097 B7R0.5 CC(C)[C@@H](N)CO[13CH3] 34a_100011830312_200025704644 [0,2,0,0,0,0|0,0,2]=4 1098 B7R0.5 CC(CCO)N(C)C 2230a_100000731037_200000210301 [0,2,0,0,0,0|0,0,2]=4 1099 B7R0.5 CC(CCO)N(C)C 2230a_100102631434_100009893172 [0,2,0,0,0,0|0,0,2]=4 1100 B7R0.5 CC(CCO)N(C)C 269982a_100000731037_200000210301 [0,2,0,0,0,0|0,0,2]=4 1101 B7R0.5 CC(CCO)N(C)C 269982a_100102631434_100009893172 [0,2,0,0,0,0|0,0,2]=4 1102 B7R0.5 CC(CCO)N(C)[13CH3] 2230a_100000731037_200025704644 [0,2,0,0,0,0|0,0,2]=4 1103 B7R0.5 CC(CCO)N(C)[13CH3] 269982a_100000731037_200025704644 [0,2,0,0,0,0|0,0,2]=4 1104 B7R0.5 CC(F)C(=O)CCO 1458a_100000062450_100000211926 [0,2,0,0,0,0|1,0,1]=4 1105 B7R0.5 CC/C=C(\C)/C(=O)C 1458a_100016988807_200000210301 [0,2,0,0,0,0|1,0,0]=3 1106 B7R0.5 CC/C=C(\C)/C(=O)[13CH3] 1458a_100016988807_200025704644 [0,2,0,0,0,0|1,0,0]=3 1107 B7R0.5 CCCC(=O)C(C)C 1458a_100000210198_100000210303 [0,2,0,0,0,0|1,0,1]=4 1108 B7R0.5 CCCC(=O)C(C)C 1458a_100000211992_100000210206 [0,2,0,0,0,0|1,0,1]=4 1109 B7R0.5 CCCC(=O)N(C)C 11a_100102631434_100000211992 [0,2,0,0,0,0|2,0,0]=4 1110 B7R0.5 CCCC(=O)N(C)C 1626a_100102631434_100000211992 [0,2,0,0,0,0|2,0,0]=4 1111 B7R0.5 CCCC(=O)N(C)C 240690a_100102631434_100000211992 [0,2,0,0,0,0|2,0,0]=4 1112 B7R0.5 CCCC(=O)N(C)C 527a_100102631434_100000211992 [0,2,0,0,0,0|2,0,0]=4 1113 B7R0.5 CCNC(=O)C(=O)C 1458a_200011297158_200000210301 [0,2,0,0,0,0|2,0,0]=4 1114 B7R0.5 CCNC(=O)C(=O)[13CH3] 1458a_200011297158_200025704644 [0,2,0,0,0,0|2,0,0]=4 1115 B7R0.5 CCNC(=O)C(C)C 11a_100015525214_100000210198 [0,2,0,0,0,0|1,0,1]=4 1116 B7R0.5 CCNC(=O)C(C)C 240690a_100015525214_100000210198 [0,2,0,0,0,0|1,0,1]=4 1117 B7R0.5 CCNC(=O)C(C)C 527a_100015525214_100000210198 [0,2,0,0,0,0|1,0,1]=4 1118 B7R0.5 CCNC(=O)N(C)C 2708a_100015525214_100102631434 [0,2,0,0,0,0|2,0,0]=4 1119 B7R0.5 CN(C)C(=O)CC#N 1626a_100102631434_100051588842 [0,2,0,0,0,0|2,0,0]=4 1120 B7R0.5 CN(C)C(=O)CC#N 240690a_100102631434_100051588842 [0,2,0,0,0,0|2,0,0]=4 1121 B7R0.5 CN(C)C(=O)CCO 240690a_100102631434_100011216618 [0,2,0,0,0,0|1,0,0]=3 1122 B7R0.5 CN(C)C(=O)CN[13CH3] 2230a_100015183351_200025704644 [0,2,0,0,0,0|2,0,0]=4 1123 B7R0.5 CN(C)C(=O)CS[13CH3] 62a_100000692301_200025704644 [0,2,0,0,0,0|1,1,0]=4 1124 B7R0.5 CN(C)C(=O)CS[13CH3] 62a_200025704644_100000692301 [0,2,0,0,0,0|1,1,0]=4 1125 B7R0.5 CNCC(=O)C(=O)C 34a_100102657272_100011261029 [0,2,0,0,0,0|2,0,0]=4 1126 B7R0.5 CNCC(=O)C(C)C 2230a_106832991635_100000753385 [0,2,0,0,0,0|1,0,1]=4 1127 B7R0.5 CNCC(=O)C(C)C 34a_100102657272_100000753385 [0,2,0,0,0,0|1,0,1]=4 1128 B7R0.5 CNCC(=O)C(C)C 7a_106832991635_100000753385 [0,2,0,0,0,0|1,0,1]=4 1129 B7R0.5 CNCC(=O)N(C)C 2230a_100015183351_200000210301 [0,2,0,0,0,0|2,0,0]=4 1130 B7R0.5 CNCC(=O)N(C)C 2230a_106832991635_100000185267 [0,2,0,0,0,0|2,0,0]=4 1131 B7R0.5 CNCC(=O)N(C)C 34a_100102657272_100000692301 [0,2,0,0,0,0|2,0,0]=4 1132 B7R0.5 CNCC(=O)N(C)C 7a_106832991635_100000692301 [0,2,0,0,0,0|2,0,0]=4 1133 B7R0.5 CO/N=C(\C)/C(=O)C 1458a_100160996864_200000210301 [0,2,0,0,0,0|2,0,0]=4 1134 B7R0.5 CO/N=C(\C)/C(=O)[13CH3] 1458a_100160996864_200025704644 [0,2,0,0,0,0|2,0,0]=4 1135 B7R0.5 COCC(=O)C(=O)C 34a_100138415774_100011261029 [0,2,0,0,0,0|1,0,0]=3 1136 B7R0.5 COCC(=O)C(C)C 1458a_100000210968_100000210206 [0,2,0,0,0,0|0,0,1]=3 1137 B7R0.5 COCC(=O)C(C)C 34a_100138415774_100000753385 [0,2,0,0,0,0|0,0,1]=3 1138 B7R0.5 COCC(=O)N(C)C 11a_100102631434_100000210968 [0,2,0,0,0,0|1,0,0]=3 1139 B7R0.5 COCC(=O)N(C)C 1626a_100102631434_100000210968 [0,2,0,0,0,0|1,0,0]=3 1140 B7R0.5 COCC(=O)N(C)C 240690a_100102631434_100000210968 [0,2,0,0,0,0|1,0,0]=3 1141 B7R0.5 COCC(=O)N(C)C 34a_100138415774_100000692301 [0,2,0,0,0,0|1,0,0]=3 1142 B7R0.5 COCC(=O)N(C)C 527a_100102631434_100000210968 [0,2,0,0,0,0|1,0,0]=3 1143 B7R0.5 COCC(C)C(=O)C 1458a_100000070787_100000765312 [0,2,0,0,0,0|1,0,1]=4 1144 B7R0.5 COCC(C)C(=O)C 1458a_100000751857_200000210301 [0,2,0,0,0,0|1,0,1]=4 1145 B7R0.5 COCC(C)C(=O)C 34a_100000032740_200000210301 [0,2,0,0,0,0|1,0,1]=4 1146 B7R0.5 COCC(C)C(=O)C 7a_100000032740_200000210301 [0,2,0,0,0,0|1,0,1]=4 1147 B7R0.5 COCC(C)C(=O)[13CH3] 1458a_100000751857_200025704644 [0,2,0,0,0,0|1,0,1]=4 1148 B7R0.5 COCC(C)N(C)C 2230a_100102631434_100000765312 [0,2,0,0,0,0|1,0,1]=4 1149 B7R0.5 COCC(C)N(C)C 269982a_100102631434_100000765312 [0,2,0,0,0,0|1,0,1]=4 1150 B7R0.5 COCC(C)N(C)C 270004a_100102631434_100000749346 [0,2,0,0,0,0|1,0,1]=4 1151 B7R0.5 COCN(C)C(C)C 269982a_200000211004_100000766300 [0,2,0,0,0,0|1,0,1]=4 1152 B7R0.5 COC[C@H](N)C(C)C 34a_100011830312_200000210301 [0,2,0,0,0,0|0,0,2]=4 1153 B7R0.5 CSCC(=O)C(=O)C 62a_100011261029_200000210301 [0,2,0,0,0,0|1,1,0]=4 1154 B7R0.5 CSCC(=O)C(=O)C 62a_200000210301_100011261029 [0,2,0,0,0,0|1,1,0]=4 1155 B7R0.5 CSCC(=O)C(C)C 1458a_100000184570_100000210206 [0,2,0,0,0,0|0,1,1]=4 1156 B7R0.5 CSCC(=O)C(C)C 62a_100000753385_200000210301 [0,2,0,0,0,0|0,1,1]=4 1157 B7R0.5 CSCC(=O)C(C)C 62a_200000210301_100000753385 [0,2,0,0,0,0|0,1,1]=4 1158 B7R0.5 CSCC(=O)N(C)C 11a_100102631434_100000184570 [0,2,0,0,0,0|1,1,0]=4 1159 B7R0.5 CSCC(=O)N(C)C 1626a_100102631434_100000184570 [0,2,0,0,0,0|1,1,0]=4 1160 B7R0.5 CSCC(=O)N(C)C 240690a_100102631434_100000184570 [0,2,0,0,0,0|1,1,0]=4 1161 B7R0.5 CSCC(=O)N(C)C 527a_100102631434_100000184570 [0,2,0,0,0,0|1,1,0]=4 1162 B7R0.5 CSCC(=O)N(C)C 62a_100000692301_200000210301 [0,2,0,0,0,0|1,1,0]=4 1163 B7R0.5 CSCC(=O)N(C)C 62a_200000210301_100000692301 [0,2,0,0,0,0|1,1,0]=4 1164 B7R0.5 C[C@@H](O)C(=O)CCO 1458a_100000717761_100000211926 [0,2,0,0,0,0|1,0,1]=4 1165 B7R0.5 C[C@H](O)C(=O)CCO 1458a_217856618621_100000211926 [0,2,0,0,0,0|1,0,1]=4 1166 B7R0.5 O=C(CCO)C(O)O 1458a_100000233687_100000211926 [0,2,0,0,0,0|1,0,1]=4 1167 B7R0.7 C#CCC(=O)CCO 1458a_100011216618_100000184674 [0,2,0,0,0,0|1,0,1]=4 1168 B7R0.7 C#CCC(=O)CCO 1458a_100011220946_100000211926 [0,2,0,0,0,0|1,0,1]=4 1169 B7R0.7 C#CCN(C)CCO 2230a_100000210263_100000038162 [0,2,0,0,0,0|1,0,1]=4 1170 B7R0.7 C#CCN(C)CCO 2230a_100000225692_100000211926 [0,2,0,0,0,0|1,0,1]=4 1171 B7R0.7 C#CCN(C)CCO 34a_100000225692_100000211926 [0,2,0,0,0,0|1,0,1]=4 1172 B7R0.7 C=CCC(=O)CCO 1458a_100000210193_100000211926 [0,2,0,0,0,0|1,0,1]=4 1173 B7R0.7 C=CCC(=O)CCO 1458a_100011216618_100000210623 [0,2,0,0,0,0|1,0,1]=4 1174 B7R0.7 C=CCN(C)CCO 2230a_100000210263_100000210623 [0,2,0,0,0,0|1,0,1]=4 1175 B7R0.7 C=CCN(C)CCO 2230a_100000225617_100000211926 [0,2,0,0,0,0|1,0,1]=4 1176 B7R0.7 C=CCN(C)CCO 269982a_100000210263_100000210623 [0,2,0,0,0,0|1,0,1]=4 1177 B7R0.7 C=CCN(C)CCO 269982a_100000225617_100000211926 [0,2,0,0,0,0|1,0,1]=4 1178 B7R0.7 CC#CC(=O)CCO 1458a_100000763181_100000211926 [0,2,0,0,0,0|1,0,1]=4 1179 B7R0.7 CC(CCO)SCF 62a_100009893172_100015361967 [0,2,0,0,0,0|0,0,2]=4 1180 B7R0.7 CC(CCO)SCF 62a_100015361967_100009893172 [0,2,0,0,0,0|0,0,2]=4 1181 B7R0.7 CC=CC(=O)CCO 1458a_100000210699_100000211926 [0,2,0,0,0,0|1,0,1]=4 1182 B7R0.7 CCCC(=O)CCO 1458a_100000211992_100000211926 [0,2,0,0,0,0|1,0,1]=4 1183 B7R0.7 CCCC(=O)CCO 1458a_100011216618_100000210303 [0,2,0,0,0,0|1,0,1]=4 1184 B7R0.7 CCCN(C)CCO 2230a_100000210263_100000210303 [0,2,0,0,0,0|1,0,1]=4 1185 B7R0.7 CCCN(C)CCO 2230a_100000211420_200000210301 [0,2,0,0,0,0|1,0,1]=4 1186 B7R0.7 CCCN(C)CCO 2230a_100000747261_100000211926 [0,2,0,0,0,0|1,0,1]=4 1187 B7R0.7 CCCN(C)CCO 269982a_100000210263_100000210303 [0,2,0,0,0,0|1,0,1]=4 1188 B7R0.7 CCCN(C)CCO 269982a_100000211420_200000210301 [0,2,0,0,0,0|1,0,1]=4 1189 B7R0.7 CCCN(C)CCO 269982a_100000747261_100000211926 [0,2,0,0,0,0|1,0,1]=4 1190 B7R0.7 CCCN([13CH3])CCO 2230a_100000211420_200025704644 [0,2,0,0,0,0|1,0,1]=4 1191 B7R0.7 CCCN([13CH3])CCO 269982a_100000211420_200025704644 [0,2,0,0,0,0|1,0,1]=4 1192 B7R0.7 CCNC(=O)CCO 240690a_100015525214_100011216618 [0,2,0,0,0,0|1,0,1]=4 1193 B7R0.7 CCNC(C)CCO 2230a_100015525214_100009893172 [0,2,0,0,0,0|0,0,2]=4 1194 B7R0.7 CCN[C@H](C)CCO 2230a_100000706166_100000210202 [0,2,0,0,0,0|0,0,2]=4 1195 B7R0.7 CCN[C@H](C)CCO 34a_100000706166_100000210202 [0,2,0,0,0,0|0,0,2]=4 1196 B7R0.7 CCOC(C)CCO 34a_100121572206_100009893172 [0,2,0,0,0,0|0,0,2]=4 1197 B7R0.7 CCSC(C)CCO 62a_100000210202_100009893172 [0,2,0,0,0,0|0,0,2]=4 1198 B7R0.7 CCSC(C)CCO 62a_100009893172_100000210202 [0,2,0,0,0,0|0,0,2]=4 1199 B7R0.7 CN(CC#N)CCO 2230a_100000210263_100011215382 [0,2,0,0,0,0|1,0,1]=4 1200 B7R0.7 CN(CC#N)CCO 2230a_100000748184_100000211926 [0,2,0,0,0,0|1,0,1]=4 1201 B7R0.7 CN(CC#N)CCO 269982a_100000210263_100011214920 [0,2,0,0,0,0|1,0,1]=4 1202 B7R0.7 CN(CC=O)CCO 2230a_100000210263_200015260668 [0,2,0,0,0,0|1,0,1]=4 1203 B7R0.7 CN(CC=O)CCO 269982a_100000210263_200015260668 [0,2,0,0,0,0|1,0,1]=4 1204 B7R0.7 CN(CCO)CCF 2230a_100000210263_100011217306 [0,2,0,0,0,0|1,0,1]=4 1205 B7R0.7 CN(CCO)CCF 269982a_100000210263_100011217306 [0,2,0,0,0,0|1,0,1]=4 1206 B7R0.7 CN(CCO)CCO 2230a_100000210263_100000211926 [0,2,0,0,0,0|1,0,1]=4 1207 B7R0.7 CN(CCO)CCO 2230a_100000210587_200000210301 [0,2,0,0,0,0|1,0,1]=4 1208 B7R0.7 CN(CCO)CCO 269982a_100000210263_100000211926 [0,2,0,0,0,0|1,0,1]=4 1209 B7R0.7 CN(CCO)CCO 269982a_100000210587_200000210301 [0,2,0,0,0,0|1,0,1]=4 1210 B7R0.7 CNCC(=O)NCO 2230a_106832991635_100000185155 [0,2,0,0,0,0|2,0,0]=4 1211 B7R0.7 CNCC(=O)NCO 34a_100102657272_100000185155 [0,2,0,0,0,0|2,0,0]=4 1212 B7R0.7 CNCC(=O)NCO 7a_106832991635_100000185155 [0,2,0,0,0,0|2,0,0]=4 1213 B7R0.7 CNNC(=O)CCO 22a_100016993582_100011216618 [0,2,0,0,0,0|1,0,1]=4 1214 B7R0.7 COCC(=O)CCO 1458a_100000210968_100000211926 [0,2,0,0,0,0|1,0,1]=4 1215 B7R0.7 COCC(=O)NCO 34a_100138415774_100000185155 [0,2,0,0,0,0|2,0,0]=4 1216 B7R0.7 COCN(C)CCO 2230a_100000210263_100000766300 [0,2,0,0,0,0|1,0,1]=4 1217 B7R0.7 COCN(C)CCO 269982a_100000210263_100000766300 [0,2,0,0,0,0|1,0,1]=4 1218 B7R0.7 CSCC(=O)CCO 1458a_100000184570_100000211926 [0,2,0,0,0,0|1,0,1]=4 1219 B7R0.7 CSCC(=O)NCO 62a_100000185155_200000210301 [0,2,0,0,0,0|2,0,0]=4 1220 B7R0.7 CSCC(=O)NCO 62a_200000210301_100000185155 [0,2,0,0,0,0|2,0,0]=4 1221 B7R0.7 CSCN(C)CCO 2230a_100000210263_100011218213 [0,2,0,0,0,0|1,0,1]=4 1222 B7R0.7 CSCN(C)CCO 269982a_100000210263_100011218213 [0,2,0,0,0,0|1,0,1]=4 1223 B7R0.7 C[C@H](CCO)NCF 34a_100000706166_100015361967 [0,2,0,0,0,0|0,0,2]=4 1224 B7R0.7 N#CCC(=O)CCO 1458a_100011216618_100011214920 [0,2,0,0,0,0|1,0,1]=4 1225 B7R0.7 N#CCC(=O)CCO 1458a_100051588842_100000211926 [0,2,0,0,0,0|1,0,1]=4 1226 B7R0.7 O=C(CCO)CCF 1458a_100011216618_100011217306 [0,2,0,0,0,0|1,0,1]=4 1227 B7R0.7 O=C(CCO)CCO 1458a_100011216618_100000211926 [0,2,0,0,0,0|1,0,1]=4 1228 B7R0.7 [13CH3]N(CCO)CCO 2230a_100000210587_200025704644 [0,2,0,0,0,0|1,0,1]=4 1229 B7R0.7 [13CH3]N(CCO)CCO 269982a_100000210587_200025704644 [0,2,0,0,0,0|1,0,1]=4 1230 B7R0.7 [13CH3]SCC(=O)NCO 62a_100000185155_200025704644 [0,2,0,0,0,0|2,0,0]=4 1231 B7R0.7 [13CH3]SCC(=O)NCO 62a_200025704644_100000185155 [0,2,0,0,0,0|2,0,0]=4 1232 B7R0.10 C#CC(C)C(=O)CO 1458a_100000210174_200000035995 [0,2,0,0,0,0|0,0,2]=4 1233 B7R0.10 C/C=C(\C)/C(=O)CC 1458a_100020587367_100000210202 [0,2,0,0,0,0|1,0,0]=3 1234 B7R0.10 C/C=C(\C)/C(=O)CF 1458a_100020587367_100015361967 [0,2,0,0,0,0|1,0,0]=3 1235 B7R0.10 C/C=C(\C)/C(=O)NC 11a_106832991635_100020587367 [0,2,0,0,0,0|2,0,0]=4 1236 B7R0.10 C/C=C(\C)/C(=O)NC 1626a_100102657272_100020587367 [0,2,0,0,0,0|2,0,0]=4 1237 B7R0.10 CC(C#N)C(=O)CO 1458a_100000210174_100000703298 [0,2,0,0,0,0|0,0,2]=4 1238 B7R0.10 CC(CO)N(C)CF 269982a_100000693034_100015361967 [0,2,0,0,0,0|1,0,1]=4 1239 B7R0.10 CCC(=O)C(=O)NC 1458a_100011218921_100000210202 [0,2,0,0,0,0|2,0,0]=4 1240 B7R0.10 CCC(=O)C(C)CC 1458a_100000210414_100000758301 [0,2,0,0,0,0|1,0,1]=4 1241 B7R0.10 CCC(=O)C(C)CC 1458a_100011192722_100000210202 [0,2,0,0,0,0|1,0,1]=4 1242 B7R0.10 CCC(=O)C(C)NC 2230a_106832991635_100000742827 [0,2,0,0,0,0|1,0,1]=4 1243 B7R0.10 CCC(=O)C(C)NC 7a_106832991635_100000742827 [0,2,0,0,0,0|1,0,1]=4 1244 B7R0.10 CCC(=O)C(C)OC 1458a_100000743197_100000210202 [0,2,0,0,0,0|1,0,1]=4 1245 B7R0.10 CCC(=O)C(C)SC 1458a_100000149566_100000210202 [0,2,0,0,0,0|1,0,1]=4 1246 B7R0.10 CCC(=O)C(C)SC 62a_100000742827_200000210301 [0,2,0,0,0,0|1,0,1]=4 1247 B7R0.10 CCC(=O)C(C)SC 62a_200000210301_100000742827 [0,2,0,0,0,0|1,0,1]=4 1248 B7R0.10 CCC(=O)C(C)S[13CH3] 62a_100000742827_200025704644 [0,2,0,0,0,0|1,0,1]=4 1249 B7R0.10 CCC(=O)C(C)S[13CH3] 62a_200025704644_100000742827 [0,2,0,0,0,0|1,0,1]=4 1250 B7R0.10 CCC(=O)C(O)CO 1458a_100011215603_100000210202 [0,2,0,0,0,0|1,0,1]=4 1251 B7R0.10 CCC(=O)N(C)CC 11a_100000225621_100000210414 [0,2,0,0,0,0|2,0,0]=4 1252 B7R0.10 CCC(=O)N(C)CC 1626a_100000225621_100000210414 [0,2,0,0,0,0|2,0,0]=4 1253 B7R0.10 CCC(=O)N(C)CC 240690a_100000225621_100000210414 [0,2,0,0,0,0|2,0,0]=4 1254 B7R0.10 CCC(=O)N(C)CC 527a_100000225621_100000210414 [0,2,0,0,0,0|2,0,0]=4 1255 B7R0.10 CCC(C)C(=O)CF 1458a_100011192722_100015361967 [0,2,0,0,0,0|1,0,1]=4 1256 B7R0.10 CCC(C)C(=O)CO 1458a_100000210174_100000758301 [0,2,0,0,0,0|0,0,1]=3 1257 B7R0.10 CCN(C)C(=O)CO 240690a_100000225621_100000210174 [0,2,0,0,0,0|1,0,0]=3 1258 B7R0.10 CCN(C)C(=O)CO 527a_100000225621_100000210174 [0,2,0,0,0,0|1,0,0]=3 1259 B7R0.10 CCN(C)C(C)CO 2230a_100000225621_100012180447 [0,2,0,0,0,0|1,0,1]=4 1260 B7R0.10 CCN(C)C(C)CO 2230a_100000693034_100000210202 [0,2,0,0,0,0|1,0,1]=4 1261 B7R0.10 CCN(C)C(C)CO 2230a_100000731049_200000210301 [0,2,0,0,0,0|1,0,1]=4 1262 B7R0.10 CCN(C)C(C)CO 269982a_100000693034_100000204670 [0,2,0,0,0,0|1,0,1]=4 1263 B7R0.10 CCN(C)C(C)CO 269982a_100000731049_200000210301 [0,2,0,0,0,0|1,0,1]=4 1264 B7R0.10 CCN(C)[C@H](C)CO 269982a_100000225621_100016084084 [0,2,0,0,0,0|1,0,1]=4 1265 B7R0.10 CCN([13CH3])C(C)CO 2230a_100000731049_200025704644 [0,2,0,0,0,0|1,0,1]=4 1266 B7R0.10 CCN([13CH3])C(C)CO 269982a_100000731049_200025704644 [0,2,0,0,0,0|1,0,1]=4 1267 B7R0.10 CNC(=O)C(=O)CF 1458a_100011218921_100015361967 [0,2,0,0,0,0|2,0,0]=4 1268 B7R0.10 CNC(=O)C(O)CO 240690a_100102657272_100011215603 [0,2,0,0,0,0|1,0,1]=4 1269 B7R0.10 COC(C)C(=O)CF 1458a_100000743197_100015361967 [0,2,0,0,0,0|1,0,1]=4 1270 B7R0.10 CSC(C)C(=O)CF 1458a_100000149566_100015361967 [0,2,0,0,0,0|1,0,1]=4 1271 B7R0.10 O=C(CF)C(O)CO 1458a_100011215603_100015361967 [0,2,0,0,0,0|1,0,1]=4 1272 B7R0.12 CCN(CC)CCO 2230a_100000210973_100000210202 [0,2,0,0,0,0|1,0,1]=4 1273 B7R0.12 CCN(CC)CCO 2230a_100000724800_100000211926 [0,2,0,0,0,0|1,0,1]=4 1274 B7R0.12 CCN(CC)CCO 269956a_100000042499_100000211926 [0,2,0,0,0,0|1,0,1]=4 1275 B7R0.12 CCN(CC)CCO 269982a_100000210973_100000204670 [0,2,0,0,0,0|1,0,1]=4 1276 B7R0.12 CCN(CC)CCO 269982a_100000724800_100000211926 [0,2,0,0,0,0|1,0,1]=4 1277 B7R0.12 CCN(CF)CCO 269982a_100000210973_100015361967 [0,2,0,0,0,0|1,0,1]=4 1278 B7R0.9 CC(=O)CC(C)(C)O 1458a_100000693243_200000210301 [0,2,0,0,0,0|1,0,1]=4 1279 B7R0.9 CC(C)(O)CC(=O)[13CH3] 1458a_100000693243_200025704644 [0,2,0,0,0,0|1,0,1]=4 1280 B7R0.9 CN(C)CC(C)(C)O 2230a_100000755907_200000210301 [0,2,0,0,0,0|1,0,1]=4 1281 B7R0.9 CN(C)CC(C)(C)O 269982a_100000755907_200000210301 [0,2,0,0,0,0|1,0,1]=4 1282 B7R0.9 CN([13CH3])CC(C)(C)O 2230a_100000755907_200025704644 [0,2,0,0,0,0|1,0,1]=4 1283 B7R0.9 CN([13CH3])CC(C)(C)O 269982a_100000755907_200025704644 [0,2,0,0,0,0|1,0,1]=4 1284 B7R0.16 C=C(C)C(=O)C(C)C 1458a_100000185857_100000210206 [0,2,0,0,0,0|1,0,1]=4 1285 B7R0.16 CC(C)C(=O)C(C)C 1458a_100000210198_100000210206 [0,2,0,0,0,0|1,0,1]=4 1286 B7R0.16 CC(C)C(=O)C(C)F 1458a_100000062450_100000210206 [0,2,0,0,0,0|1,0,1]=4 1287 B7R0.16 CC(C)C(=O)C(O)O 1458a_100000233687_100000210206 [0,2,0,0,0,0|0,0,1]=3 1288 B7R0.16 CC(C)C(=O)N(C)C 11a_100102631434_100000210198 [0,2,0,0,0,0|2,0,0]=4 1289 B7R0.16 CC(C)C(=O)N(C)C 1626a_100102631434_100000210198 [0,2,0,0,0,0|2,0,0]=4 1290 B7R0.16 CC(C)C(=O)N(C)C 240690a_100102631434_100000210198 [0,2,0,0,0,0|2,0,0]=4 1291 B7R0.16 CC(C)C(=O)N(C)C 527a_100102631434_100000210198 [0,2,0,0,0,0|2,0,0]=4 1292 B7R0.16 CC(C)C(=O)[C@@H](C)O 1458a_100000717761_100000210206 [0,2,0,0,0,0|0,0,1]=3 1293 B7R0.16 CC(C)C(=O)[C@H](C)O 1458a_217856618621_100000210206 [0,2,0,0,0,0|0,0,1]=3 1294 B7R0.16 CC(F)C(=O)N(C)C 11a_100102631434_100000062450 [0,2,0,0,0,0|2,0,0]=4 1295 B7R0.16 CC(F)C(=O)N(C)C 1626a_100102631434_100000062450 [0,2,0,0,0,0|2,0,0]=4 1296 B7R0.16 CC(F)C(=O)N(C)C 240690a_100102631434_100000062450 [0,2,0,0,0,0|2,0,0]=4 1297 B7R0.16 CC(F)C(=O)N(C)C 527a_100102631434_100000062450 [0,2,0,0,0,0|2,0,0]=4 1298 B7R0.16 CN(C)C(=O)C(F)F 11a_100102631434_100000210393 [0,2,0,0,0,0|2,0,0]=4 1299 B7R0.16 CN(C)C(=O)C(F)F 1626a_100102631434_100000210393 [0,2,0,0,0,0|2,0,0]=4 1300 B7R0.16 CN(C)C(=O)C(F)F 240690a_100102631434_100000210393 [0,2,0,0,0,0|2,0,0]=4 1301 B7R0.16 CN(C)C(=O)C(F)F 527a_100102631434_100000210393 [0,2,0,0,0,0|2,0,0]=4 1302 B7R0.16 CN(C)C(=O)C(O)O 240690a_100102631434_100000233687 [0,2,0,0,0,0|1,0,0]=3 1303 B7R0.16 C[C@@H](O)C(=O)N(C)C 240690a_100102631434_100000717761 [0,2,0,0,0,0|1,0,0]=3 1304 B7R0.16 C[C@H](O)C(=O)N(C)C 1626a_100102631434_217856618621 [0,2,0,0,0,0|1,0,0]=3 1305 B7R0.16 C[C@H](O)C(=O)N(C)C 240690a_100102631434_217856618621 [0,2,0,0,0,0|1,0,0]=3 1306 B7R0.13 CC(=O)C(C)(C)CO 1458a_100000749806_200000210301 [0,2,0,0,0,0|1,0,1]=4 1307 B7R0.13 CC(C)(CO)C(=O)[13CH3] 1458a_100000749806_200025704644 [0,2,0,0,0,0|1,0,1]=4 1308 B7R0.13 CN(C)C(C)(C)CO 269982a_100015204102_200000210301 [0,2,0,0,0,0|1,0,1]=4 1309 B7R0.13 CN([13CH3])C(C)(C)CO 269982a_100015204102_200025704644 [0,2,0,0,0,0|1,0,1]=4 1310 B7R0.14 CC(C)(C)C(=O)CF 1458a_106744555173_100015361967 [0,2,0,0,0,0|1,0,1]=4 1311 B7R0.14 CC(C)(F)C(=O)CF 1458a_100000765255_100015361967 [0,2,0,0,0,0|1,0,1]=4 1312 B7R0.14 CC(C)(O)C(=O)CF 1458a_100000242741_100015361967 [0,2,0,0,0,0|1,0,1]=4 1313 B7R0.14 CCC(=O)C(C)(C)C 1458a_106744555173_100000210202 [0,2,0,0,0,0|1,0,1]=4 1314 B7R0.14 CCC(=O)C(C)(C)F 1458a_100000765255_100000210202 [0,2,0,0,0,0|1,0,1]=4 1315 B7R0.14 CCC(=O)C(C)(C)O 1458a_100000242741_100000210202 [0,2,0,0,0,0|1,0,1]=4 1316 B7R0.15 CC(C)[C@H](CO)N[13CH3] 2230a_100011830312_200025704644 [0,2,0,0,0,0|0,0,2]=4 1317 B7R0.15 CC(C)[C@H](CO)N[13CH3] 34a_100011830312_200025704644 [0,2,0,0,0,0|0,0,2]=4 1318 B7R0.15 CN[C@@H](CO)C(C)C 2230a_100011830312_200000210301 [0,2,0,0,0,0|0,0,2]=4 1319 B7R0.15 CN[C@@H](CO)C(C)C 34a_100011830312_200000210301 [0,2,0,0,0,0|0,0,2]=4 1320 B7R0.4 C=C(C)C=NNCC 4a_100000756455_100000210575 [0,2,0,0,0,0|1,0,1]=4 1321 B7R0.4 C=C(C)CCOCC 34a_100000764851_100000210202 [0,2,0,0,0,0|0,0,2]=4 1322 B7R0.4 C=C(C)CCOCC 34a_100121572206_100000730704 [0,2,0,0,0,0|0,0,2]=4 1323 B7R0.4 C=C(C)CCOCF 34a_100000764851_100015361967 [0,2,0,0,0,0|0,0,2]=4 1324 B7R0.4 C=C(C)CNCCO 2230a_100016997473_100000748629 [0,2,0,0,0,0|0,0,2]=4 1325 B7R0.4 C=C(C)CNCCO 34a_100016990907_100000748629 [0,2,0,0,0,0|0,0,2]=4 1326 B7R0.4 C=C(C)COCCO 34a_100000210245_100000211926 [0,2,0,0,0,0|0,0,2]=4 1327 B7R0.4 C=C(C)CSCCO 62a_100000211926_100000211660 [0,2,0,0,0,0|0,0,2]=4 1328 B7R0.4 C=C(C)CSCCO 62a_100000748629_100000211926 [0,2,0,0,0,0|0,0,2]=4 1329 B7R0.4 C=C(C)CSCOC 62a_100000748629_100000766300 [0,2,0,0,0,0|0,0,2]=4 1330 B7R0.4 C=C(C)CSCOC 62a_100000766300_100000211660 [0,2,0,0,0,0|0,0,2]=4 1331 B7R0.4 C=COCCC(=O)C 1458a_100000070787_100000039644 [0,2,0,0,0,0|1,0,1]=4 1332 B7R0.4 C=COCCN(C)C 2230a_100102631434_100000039644 [0,2,0,0,0,0|1,0,1]=4 1333 B7R0.4 C=COCCN(C)C 269982a_100102631434_100000039644 [0,2,0,0,0,0|1,0,1]=4 1334 B7R0.4 CC(=CCCS[13CH3])C 62a_100011217483_200025704644 [0,2,0,0,0,0|0,1,0]=3 1335 B7R0.4 CC(=CCCS[13CH3])C 62a_200025704644_100011217483 [0,2,0,0,0,0|0,1,0]=3 1336 B7R0.4 CC(=CCNCF)C 34a_100000718196_100015361967 [0,2,0,0,0,0|1,0,0]=3 1337 B7R0.4 CC(=CCOCF)C 34a_100000753907_100015361967 [0,2,0,0,0,0|0,0,0]=2 1338 B7R0.4 CC(=CCSCF)C 62a_100000761012_100015361967 [0,2,0,0,0,0|0,1,0]=3 1339 B7R0.4 CC(=CCSCF)C 62a_100015361967_100000761012 [0,2,0,0,0,0|0,1,0]=3 1340 B7R0.4 CC(=O)CC#CCO 1458a_100000070787_200000047223 [0,2,0,0,0,0|1,0,1]=4 1341 B7R0.4 CC(=O)CCCCO 1458a_100000070787_100000210776 [0,2,0,0,0,0|1,0,1]=4 1342 B7R0.4 CC(=O)CCCCO 1458a_100000695505_200000210301 [0,2,0,0,0,0|1,0,1]=4 1343 B7R0.4 CC(=O)CCCO[13CH3] 34a_100000759063_200025704644 [0,2,0,0,0,0|1,0,1]=4 1344 B7R0.4 CC(=O)CCCO[13CH3] 7a_100000759063_200025704644 [0,2,0,0,0,0|1,0,1]=4 1345 B7R0.4 CC(=O)CCOCF 34a_100000759926_100015361967 [0,2,0,0,0,0|1,0,1]=4 1346 B7R0.4 CC(=O)CCOCF 7a_100000759926_100015361967 [0,2,0,0,0,0|1,0,1]=4 1347 B7R0.4 CC(=O)COCCO 1458a_100000708028_200000210301 [0,2,0,0,0,0|1,0,1]=4 1348 B7R0.4 CC(=O)COCCO 34a_100000211253_100000211926 [0,2,0,0,0,0|1,0,1]=4 1349 B7R0.4 CC(=O)NCCCO 240690a_100000182051_100015343762 [0,2,0,0,0,0|1,0,1]=4 1350 B7R0.4 CC(=O)NCCCO 527a_100000182051_100103153847 [0,2,0,0,0,0|1,0,1]=4 1351 B7R0.4 CC(=O)NCCO[13CH3] 34a_100000158858_200025704644 [0,2,0,0,0,0|1,0,1]=4 1352 B7R0.4 CC(=O)NNCCO 22a_100000210001_100000070787 [0,2,0,0,0,0|1,0,1]=4 1353 B7R0.4 CC(C)CCCO[13CH3] 34a_100000210774_200025704644 [0,2,0,0,0,0|0,0,2]=4 1354 B7R0.4 CC(C)CCCO[13CH3] 7a_100000210774_200025704644 [0,2,0,0,0,0|0,0,2]=4 1355 B7R0.4 CC(C)CCOCF 34a_100000210254_100015361967 [0,2,0,0,0,0|0,0,2]=4 1356 B7R0.4 CC(C)CCOCF 7a_100000210254_100015361967 [0,2,0,0,0,0|0,0,2]=4 1357 B7R0.4 CC(C)CNCCO 2230a_100000210953_100000211926 [0,2,0,0,0,0|0,0,2]=4 1358 B7R0.4 CC(C)CNCCO 2230a_100016997473_100000210760 [0,2,0,0,0,0|0,0,2]=4 1359 B7R0.4 CC(C)CNCCO 270004a_100000210304_100000210432 [0,2,0,0,0,0|0,0,2]=4 1360 B7R0.4 CC(C)CNCCO 34a_100000210953_100000211926 [0,2,0,0,0,0|0,0,2]=4 1361 B7R0.4 CC(C)CNCCO 34a_100016990907_100000210624 [0,2,0,0,0,0|0,0,2]=4 1362 B7R0.4 CC(C)COCCO 34a_100000210257_100000211926 [0,2,0,0,0,0|0,0,2]=4 1363 B7R0.4 CC(C)CSCCO 62a_100000210624_100000211926 [0,2,0,0,0,0|0,0,2]=4 1364 B7R0.4 CC(C)CSCCO 62a_100000211926_100000210760 [0,2,0,0,0,0|0,0,2]=4 1365 B7R0.4 CC(C)NCCCO 2230a_100138425928_100000230001 [0,2,0,0,0,0|0,0,2]=4 1366 B7R0.4 CC(C)NCCCO 34a_100138425928_100000230001 [0,2,0,0,0,0|0,0,2]=4 1367 B7R0.4 CC(C)NCCO[13CH3] 34a_100000224655_200025704644 [0,2,0,0,0,0|0,0,2]=4 1368 B7R0.4 CC(C)OCCCO 34a_100000212225_100000230001 [0,2,0,0,0,0|0,0,2]=4 1369 B7R0.4 CC(C)OCCON 34a_100000700252_100000210206 [0,2,0,0,0,0|0,0,2]=4 1370 B7R0.4 CC(C)OCCO[13CH3] 34a_100000211219_200025704644 [0,2,0,0,0,0|0,0,2]=4 1371 B7R0.4 CC(C)OCCO[13CH3] 7a_100000211219_200025704644 [0,2,0,0,0,0|0,0,2]=4 1372 B7R0.4 CC(C)SCCCO 62a_100000210206_100011215043 [0,2,0,0,0,0|0,0,2]=4 1373 B7R0.4 CC(C)SCCCO 62a_100011215043_100000210206 [0,2,0,0,0,0|0,0,2]=4 1374 B7R0.4 CC(C)SCCO[13CH3] 34a_200011212901_200025704644 [0,2,0,0,0,0|0,0,2]=4 1375 B7R0.4 CC(C)SCCO[13CH3] 7a_200011212901_200025704644 [0,2,0,0,0,0|0,0,2]=4 1376 B7R0.4 CC/C=C/CC(=O)C 1458a_100016274230_200000210301 [0,2,0,0,0,0|2,0,0]=4 1377 B7R0.4 CC/C=C/CC(=O)[13CH3] 1458a_100016274230_200025704644 [0,2,0,0,0,0|2,0,0]=4 1378 B7R0.4 CC/C=C\CC(=O)C 1458a_100000070787_100103147603 [0,2,0,0,0,0|2,0,0]=4 1379 B7R0.4 CC/C=C\CN(C)C 2230a_100102631434_100103147603 [0,2,0,0,0,0|2,0,0]=4 1380 B7R0.4 CC/C=C\CN(C)C 269982a_100102631434_100103147603 [0,2,0,0,0,0|2,0,0]=4 1381 B7R0.4 CCC=NNC(=O)C 4a_100000189765_100000210100 [0,2,0,0,0,0|2,0,0]=4 1382 B7R0.4 CCC=NNC(C)C 4a_100000741168_100000210100 [0,2,0,0,0,0|1,0,1]=4 1383 B7R0.4 CCCC=CC(=O)C 1458a_100000212230_200000210301 [0,2,0,0,0,0|2,0,0]=4 1384 B7R0.4 CCCC=CC(=O)[13CH3] 1458a_100000212230_200025704644 [0,2,0,0,0,0|2,0,0]=4 1385 B7R0.4 CCNCC=C(C)C 2230a_100015525214_100000761012 [0,2,0,0,0,0|1,0,0]=3 1386 B7R0.4 CCNCC=C(C)C 34a_100000718196_100000210202 [0,2,0,0,0,0|1,0,0]=3 1387 B7R0.4 CCNN=CC(C)C 4a_100000756455_100000210432 [0,2,0,0,0,0|1,0,1]=4 1388 B7R0.4 CCOC=CC(=O)C 1458a_100016266692_200000210301 [0,2,0,0,0,0|1,0,1]=4 1389 B7R0.4 CCOC=CC(=O)[13CH3] 1458a_100016266692_200025704644 [0,2,0,0,0,0|1,0,1]=4 1390 B7R0.4 CCOCC=C(C)C 34a_100000753907_100000210202 [0,2,0,0,0,0|0,0,0]=2 1391 B7R0.4 CCOCC=C(C)C 34a_100121572206_100000761012 [0,2,0,0,0,0|0,0,0]=2 1392 B7R0.4 CCOCCC(=O)C 1458a_100000070787_100011215890 [0,2,0,0,0,0|1,0,1]=4 1393 B7R0.4 CCOCCC(=O)C 1458a_100000749530_200000210301 [0,2,0,0,0,0|1,0,1]=4 1394 B7R0.4 CCOCCC(=O)C 34a_100000759926_100000210202 [0,2,0,0,0,0|1,0,1]=4 1395 B7R0.4 CCOCCC(=O)C 7a_100000759926_100000210202 [0,2,0,0,0,0|1,0,1]=4 1396 B7R0.4 CCOCCC(=O)[13CH3] 1458a_100000749530_200025704644 [0,2,0,0,0,0|1,0,1]=4 1397 B7R0.4 CCOCCC(C)C 34a_100000210254_100000210202 [0,2,0,0,0,0|0,0,2]=4 1398 B7R0.4 CCOCCC(C)C 34a_100121572206_100000210312 [0,2,0,0,0,0|0,0,2]=4 1399 B7R0.4 CCOCCC(C)C 7a_100000210254_100000210202 [0,2,0,0,0,0|0,0,2]=4 1400 B7R0.4 CCOCCN(C)C 2230a_100102631434_100011215890 [0,2,0,0,0,0|1,0,1]=4 1401 B7R0.4 CCOCCN(C)C 269982a_100102631434_100011215890 [0,2,0,0,0,0|1,0,1]=4 1402 B7R0.4 CCOCOC(=O)C 34a_100121572206_100009813279 [0,2,0,0,0,0|2,0,0]=4 1403 B7R0.4 CCOCOC(C)C 34a_100121572206_100000709892 [0,2,0,0,0,0|1,0,1]=4 1404 B7R0.4 CCOCSC(C)C 62a_100000210206_100000739092 [0,2,0,0,0,0|1,0,1]=4 1405 B7R0.4 CCOCSC(C)C 62a_100000739092_100000210206 [0,2,0,0,0,0|1,0,1]=4 1406 B7R0.4 CCSCC=C(C)C 62a_100000210202_100000761012 [0,2,0,0,0,0|0,1,0]=3 1407 B7R0.4 CCSCC=C(C)C 62a_100000761012_100000210202 [0,2,0,0,0,0|0,1,0]=3 1408 B7R0.4 CN(C)CC#CCO 2230a_100102631434_200000047223 [0,2,0,0,0,0|1,0,1]=4 1409 B7R0.4 CN(C)CCCCO 2230a_100000717598_200000210301 [0,2,0,0,0,0|1,0,1]=4 1410 B7R0.4 CN(C)CCCCO 2230a_100102631434_100000210776 [0,2,0,0,0,0|1,0,1]=4 1411 B7R0.4 CN(C)CCCCO 269982a_100000717598_200000210301 [0,2,0,0,0,0|1,0,1]=4 1412 B7R0.4 CN(C)CCCCO 269982a_100102631434_100000210776 [0,2,0,0,0,0|1,0,1]=4 1413 B7R0.4 CN([13CH3])CCCCO 2230a_100000717598_200025704644 [0,2,0,0,0,0|1,0,1]=4 1414 B7R0.4 CN([13CH3])CCCCO 269982a_100000717598_200025704644 [0,2,0,0,0,0|1,0,1]=4 1415 B7R0.4 CNCCC=C(C)C 2230a_106832991635_100011217483 [0,2,0,0,0,0|1,0,0]=3 1416 B7R0.4 CNCCC=C(C)C 34a_100102657272_100011217483 [0,2,0,0,0,0|1,0,0]=3 1417 B7R0.4 CNCCC=C(C)C 7a_106832991635_100011217483 [0,2,0,0,0,0|1,0,0]=3 1418 B7R0.4 COCC=CC(=O)C 1458a_100016285016_200000210301 [0,2,0,0,0,0|1,0,0]=3 1419 B7R0.4 COCC=CC(=O)[13CH3] 1458a_100016285016_200025704644 [0,2,0,0,0,0|1,0,0]=3 1420 B7R0.4 COCCC=C(C)C 34a_100138415774_100011217483 [0,2,0,0,0,0|0,0,0]=2 1421 B7R0.4 COCCC=C(F)F 34a_100138415774_200009816681 [0,2,0,0,0,0|2,0,0]=4 1422 B7R0.4 COCCCC(=O)C 1458a_100000070787_100000740836 [0,2,0,0,0,0|1,0,1]=4 1423 B7R0.4 COCCCC(=O)C 1458a_100000741012_200000210301 [0,2,0,0,0,0|1,0,1]=4 1424 B7R0.4 COCCCC(=O)C 34a_100000759063_200000210301 [0,2,0,0,0,0|1,0,1]=4 1425 B7R0.4 COCCCC(=O)C 34a_100138415774_100000685027 [0,2,0,0,0,0|1,0,1]=4 1426 B7R0.4 COCCCC(=O)C 7a_100000759063_200000210301 [0,2,0,0,0,0|1,0,1]=4 1427 B7R0.4 COCCCC(=O)[13CH3] 1458a_100000741012_200025704644 [0,2,0,0,0,0|1,0,1]=4 1428 B7R0.4 COCCCC(C)C 34a_100000210774_200000210301 [0,2,0,0,0,0|0,0,2]=4 1429 B7R0.4 COCCCC(C)C 34a_100138415774_100011214892 [0,2,0,0,0,0|0,0,2]=4 1430 B7R0.4 COCCCC(C)C 7a_100000210774_200000210301 [0,2,0,0,0,0|0,0,2]=4 1431 B7R0.4 COCCCN(C)C 2230a_100000224831_200000210301 [0,2,0,0,0,0|1,0,1]=4 1432 B7R0.4 COCCCN(C)C 2230a_100102631434_100000740836 [0,2,0,0,0,0|1,0,1]=4 1433 B7R0.4 COCCCN(C)C 269982a_100000224831_200000210301 [0,2,0,0,0,0|1,0,1]=4 1434 B7R0.4 COCCCN(C)C 269982a_100102631434_100000740836 [0,2,0,0,0,0|1,0,1]=4 1435 B7R0.4 COCCCN(C)[13CH3] 2230a_100000224831_200025704644 [0,2,0,0,0,0|1,0,1]=4 1436 B7R0.4 COCCCN(C)[13CH3] 269982a_100000224831_200025704644 [0,2,0,0,0,0|1,0,1]=4 1437 B7R0.4 COCCNC(=O)C 1626a_100000209980_100015343762 [0,2,0,0,0,0|1,0,1]=4 1438 B7R0.4 COCCNC(=O)C 240690a_100000209980_100015343762 [0,2,0,0,0,0|1,0,1]=4 1439 B7R0.4 COCCNC(=O)C 34a_100000158858_200000210301 [0,2,0,0,0,0|1,0,1]=4 1440 B7R0.4 COCCNC(=O)C 527a_100000209980_100103153847 [0,2,0,0,0,0|1,0,1]=4 1441 B7R0.4 COCCNC(C)C 2230a_100000209980_100000210206 [0,2,0,0,0,0|0,0,2]=4 1442 B7R0.4 COCCNC(C)C 2230a_100138425928_100011201679 [0,2,0,0,0,0|0,0,2]=4 1443 B7R0.4 COCCNC(C)C 34a_100000224655_200000210301 [0,2,0,0,0,0|0,0,2]=4 1444 B7R0.4 COCCNC(C)C 34a_100138425928_100011201679 [0,2,0,0,0,0|0,0,2]=4 1445 B7R0.4 COCCOC(=O)C 34a_100138415774_100009814007 [0,2,0,0,0,0|1,0,1]=4 1446 B7R0.4 COCCOC(C)C 34a_100000210237_100000210206 [0,2,0,0,0,0|0,0,2]=4 1447 B7R0.4 COCCOC(C)C 34a_100000211219_200000210301 [0,2,0,0,0,0|0,0,2]=4 1448 B7R0.4 COCCOC(C)C 34a_100000212225_100011201679 [0,2,0,0,0,0|0,0,2]=4 1449 B7R0.4 COCCOC(C)C 34a_100138415774_100000211751 [0,2,0,0,0,0|0,0,2]=4 1450 B7R0.4 COCCOC(C)C 7a_100000211219_200000210301 [0,2,0,0,0,0|0,0,2]=4 1451 B7R0.4 COCCSC(C)C 34a_100138415774_100000730970 [0,2,0,0,0,0|0,0,2]=4 1452 B7R0.4 COCCSC(C)C 34a_200011212901_200000210301 [0,2,0,0,0,0|0,0,2]=4 1453 B7R0.4 COCCSC(C)C 62a_100000210206_100000233755 [0,2,0,0,0,0|0,0,2]=4 1454 B7R0.4 COCCSC(C)C 62a_100000233755_100000210206 [0,2,0,0,0,0|0,0,2]=4 1455 B7R0.4 COCCSC(C)C 7a_200011212901_200000210301 [0,2,0,0,0,0|0,0,2]=4 1456 B7R0.4 COCNCC(C)C 2230a_100000210953_100000766300 [0,2,0,0,0,0|0,0,2]=4 1457 B7R0.4 COCSCC(C)C 62a_100000210624_100000766300 [0,2,0,0,0,0|0,0,2]=4 1458 B7R0.4 COCSCC(C)C 62a_100000766300_100000210760 [0,2,0,0,0,0|0,0,2]=4 1459 B7R0.4 CSCCC=C(C)C 62a_100011217483_200000210301 [0,2,0,0,0,0|0,1,0]=3 1460 B7R0.4 CSCCC=C(C)C 62a_200000210301_100011217483 [0,2,0,0,0,0|0,1,0]=3 1461 B7R0.4 [13CH3]C(=O)CCCCO 1458a_100000695505_200025704644 [0,2,0,0,0,0|1,0,1]=4 1462 B7R0.4 [13CH3]C(=O)COCCO 1458a_100000708028_200025704644 [0,2,0,0,0,0|1,0,1]=4 1463 B7R0.6 CC(=CCC(=O)[13CH3])C 1458a_100011220947_200025704644 [0,2,0,0,0,0|0,0,1]=3 1464 B7R0.6 CC(=CCN(C)C)C 2230a_100102631434_100000761012 [0,2,0,0,0,0|1,0,0]=3 1465 B7R0.6 CC(=CCN(C)C)C 269982a_100102631434_100000761012 [0,2,0,0,0,0|1,0,0]=3 1466 B7R0.6 CC(=O)C=CC(C)C 1458a_100016268746_200000210301 [0,2,0,0,0,0|2,0,0]=4 1467 B7R0.6 CC(=O)CC=C(C)C 1458a_100000070787_100000761012 [0,2,0,0,0,0|0,0,1]=3 1468 B7R0.6 CC(=O)CC=C(C)C 1458a_100011220947_200000210301 [0,2,0,0,0,0|0,0,1]=3 1469 B7R0.6 CC(=O)CCC(C)O 1458a_100000070787_100012276601 [0,2,0,0,0,0|1,0,1]=4 1470 B7R0.6 CC(=O)NCC(C)O 11a_100000210904_100015343762 [0,2,0,0,0,0|1,0,1]=4 1471 B7R0.6 CC(=O)NCC(C)O 240690a_100000210904_100015343762 [0,2,0,0,0,0|1,0,1]=4 1472 B7R0.6 CC(=O)NCC(C)O 527a_100000210904_100103153847 [0,2,0,0,0,0|1,0,1]=4 1473 B7R0.6 CC(C)C=CC(=O)[13CH3] 1458a_100016268746_200025704644 [0,2,0,0,0,0|2,0,0]=4 1474 B7R0.6 CC(C)NCC(=O)O 269956a_100016091260_100000210206 [0,2,0,0,0,0|1,0,1]=4 1475 B7R0.6 CC(C)NC[C@@H](C)O 2230a_100138425928_100009817552 [0,2,0,0,0,0|0,0,2]=4 1476 B7R0.6 CC(C)NC[C@@H](C)O 34a_100138425928_100009817552 [0,2,0,0,0,0|0,0,2]=4 1477 B7R0.6 CC(C)OC[C@@H](C)O 34a_100000212225_100009817552 [0,2,0,0,0,0|0,0,2]=4 1478 B7R0.6 CC(C)SC[C@@H](C)O 62a_100000210206_100009817552 [0,2,0,0,0,0|0,0,2]=4 1479 B7R0.6 CC(C)SC[C@@H](C)O 62a_100009817552_100000210206 [0,2,0,0,0,0|0,0,2]=4 1480 B7R0.6 CC(O)CCN(C)C 2230a_100102631434_100012276601 [0,2,0,0,0,0|1,0,1]=4 1481 B7R0.6 CC(O)CCN(C)C 269982a_100102631434_100012276601 [0,2,0,0,0,0|1,0,1]=4 1482 B7R0.6 CC(O)CNC(C)C 2230a_100000210904_100000210206 [0,2,0,0,0,0|0,0,2]=4 1483 B7R0.6 CC(O)CNC(C)C 2230a_100138425928_100011218427 [0,2,0,0,0,0|0,0,2]=4 1484 B7R0.6 CC(O)CNC(C)C 34a_100000210904_100000210206 [0,2,0,0,0,0|0,0,2]=4 1485 B7R0.6 CC(O)CNC(C)C 34a_100138425928_100011218427 [0,2,0,0,0,0|0,0,2]=4 1486 B7R0.6 CC(O)COC(C)C 34a_100000212225_100011218427 [0,2,0,0,0,0|0,0,2]=4 1487 B7R0.6 CC(O)CSC(C)C 62a_100000210206_100011218427 [0,2,0,0,0,0|0,0,2]=4 1488 B7R0.6 CC(O)CSC(C)C 62a_100011218427_100000210206 [0,2,0,0,0,0|0,0,2]=4 1489 B7R0.8 CC(C)(C)CCO[13CH3] 7a_100000765024_200025704644 [0,2,0,0,0,0|0,0,2]=4 1490 B7R0.8 CC(C)(C)NCCO 2230a_100000715429_100000211926 [0,2,0,0,0,0|0,0,2]=4 1491 B7R0.8 CC(C)(C)NCCO 34a_100016990907_100000210625 [0,2,0,0,0,0|0,0,2]=4 1492 B7R0.8 CC(C)(C)OCCO 34a_100015890283_100000211926 [0,2,0,0,0,0|0,0,2]=4 1493 B7R0.8 CC(C)(C)OCCO 7a_100015890283_100000211926 [0,2,0,0,0,0|0,0,2]=4 1494 B7R0.8 CC(C)(C)SCCO 62a_100000211926_100000211941 [0,2,0,0,0,0|0,0,2]=4 1495 B7R0.8 CC(C)(C)SCCO 62a_100000211941_100000211926 [0,2,0,0,0,0|0,0,2]=4 1496 B7R0.8 COCCC(C)(C)C 34a_100138415774_100000755188 [0,2,0,0,0,0|0,0,2]=4 1497 B7R0.8 COCCC(C)(C)C 7a_100000765024_200000210301 [0,2,0,0,0,0|0,0,2]=4 1498 B7R0.8 COCCC(C)(C)O 34a_100138415774_100000702414 [0,2,0,0,0,0|0,0,2]=4 1499 B7R0.8 COCC[N+](C)(C)C 34a_100138415774_100000085578 [0,2,0,0,0,0|1,0,1]=4 1500 B7R0.8 COCC[N+](C)(C)C 7a_200020618287_200000210301 [0,2,0,0,0,0|1,0,1]=4 1501 B7R0.8 COCC[Si](C)(C)C 34a_100138415774_200000733723 [0,2,0,0,0,0|0,1,1]=4 1502 B7R0.8 COCC[Si](C)(C)C 7a_100000039746_200000210301 [0,2,0,0,0,0|0,1,1]=4 1503 B7R0.8 COCNC(C)(C)C 2230a_100000715429_100000766300 [0,2,0,0,0,0|1,0,1]=4 1504 B7R0.8 COCSC(C)(C)C 62a_100000211941_100000766300 [0,2,0,0,0,0|1,0,1]=4 1505 B7R0.8 COCSC(C)(C)C 62a_100000766300_100000211941 [0,2,0,0,0,0|1,0,1]=4 1506 B7R0.8 C[N+](C)(C)CCO[13CH3] 7a_200020618287_200025704644 [0,2,0,0,0,0|1,0,1]=4 1507 B7R0.8 C[Si](C)(C)CCO[13CH3] 7a_100000039746_200025704644 [0,2,0,0,0,0|0,1,1]=4 1508 B5R1.2 CN1CCC1 269982a_100000754969_200000210301 [1,0,0,1,0,0|1,0,1]=4 1509 B5R1.2 [13CH3]N1CCC1 269982a_100000754969_200025704644 [1,0,0,1,0,0|1,0,1]=4 1510 B5R1.3 CNC1CC1 34a_100000212008_200000210301 [1,0,0,1,0,0|1,0,1]=4 1511 B5R1.3 CNC1CC1 34a_100102657272_100000211595 [1,0,0,1,0,0|1,0,1]=4 1512 B5R1.3 COC1CC1 34a_100138415774_100000211595 [1,0,0,1,0,0|1,0,1]=4 1513 B5R1.3 CSC1CC1 62a_200000210301_100000211595 [1,0,0,1,0,0|1,0,1]=4 1514 B5R1.3 [13CH3]NC1CC1 34a_100000212008_200025704644 [1,0,0,1,0,0|1,0,1]=4 1515 B5R1.3 [13CH3]SC1CC1 62a_200025704644_100000211595 [1,0,0,1,0,0|1,0,1]=4 1516 B7R1.1 CNC1CCOC1 2230a_106832991635_100000731011 [0,1,0,1,0,0|0,0,2]=4 1517 B7R1.1 CNC1CCOC1 270004a_106832991635_100000752484 [0,1,0,1,0,0|0,0,2]=4 1518 B7R1.1 CNC1CCOC1 34a_100102657272_100000690089 [0,1,0,1,0,0|0,0,2]=4 1519 B7R1.1 CNC1CCOC1 7a_106832991635_100000731011 [0,1,0,1,0,0|0,0,2]=4 1520 B7R1.1 CN[C@@H]1CCOC1 2230a_200015188469_200000210301 [0,1,0,1,0,0|0,0,2]=4 1521 B7R1.1 CN[C@H]1CCOC1 2230a_100015188467_200000210301 [0,1,0,1,0,0|0,0,2]=4 1522 B7R1.1 CN[C@H]1CCOC1 34a_100015188467_200000210301 [0,1,0,1,0,0|0,0,2]=4 1523 B7R1.1 COC1CCOC1 34a_100138415774_100000690089 [0,1,0,1,0,0|0,0,2]=4 1524 B7R1.1 CO[C@H]1CCOC1 34a_100000717292_200000210301 [0,1,0,1,0,0|0,0,2]=4 1525 B7R1.1 CSC1CCOC1 62a_200000210301_100000690089 [0,1,0,1,0,0|0,0,2]=4 1526 B7R1.1 CSc1ccoc1 62a_100011215275_200000210301 [0,1,0,1,0,0|0,0,2]=4 1527 B7R1.1 CSc1ccoc1 62a_200000210301_100011215275 [0,1,0,1,0,0|0,0,2]=4 1528 B7R1.1 CSc1ccon1 62a_100009818083_200000210301 [0,1,0,1,0,0|1,0,1]=4 1529 B7R1.1 CSc1ccon1 62a_200000210301_100009818083 [0,1,0,1,0,0|1,0,1]=4 1530 B7R1.1 CSc1cnoc1 62a_100009815712_200000210301 [0,1,0,1,0,0|1,0,1]=4 1531 B7R1.1 CSc1cnoc1 62a_200000210301_100009815712 [0,1,0,1,0,0|1,0,1]=4 1532 B7R1.1 [13CH3]N[C@@H]1CCOC1 2230a_200015188469_200025704644 [0,1,0,1,0,0|0,0,2]=4 1533 B7R1.1 [13CH3]N[C@H]1CCOC1 2230a_100015188467_200025704644 [0,1,0,1,0,0|0,0,2]=4 1534 B7R1.1 [13CH3]N[C@H]1CCOC1 34a_100015188467_200025704644 [0,1,0,1,0,0|0,0,2]=4 1535 B7R1.1 [13CH3]O[C@H]1CCOC1 34a_100000717292_200025704644 [0,1,0,1,0,0|0,0,2]=4 1536 B7R1.1 [13CH3]SC1CCOC1 62a_200025704644_100000690089 [0,1,0,1,0,0|0,0,2]=4 1537 B7R1.1 [13CH3]Sc1ccoc1 62a_100011215275_200025704644 [0,1,0,1,0,0|0,0,2]=4 1538 B7R1.1 [13CH3]Sc1ccoc1 62a_200025704644_100011215275 [0,1,0,1,0,0|0,0,2]=4 1539 B7R1.1 [13CH3]Sc1ccon1 62a_100009818083_200025704644 [0,1,0,1,0,0|1,0,1]=4 1540 B7R1.1 [13CH3]Sc1ccon1 62a_200025704644_100009818083 [0,1,0,1,0,0|1,0,1]=4 1541 B7R1.1 [13CH3]Sc1cnoc1 62a_100009815712_200025704644 [0,1,0,1,0,0|1,0,1]=4 1542 B7R1.1 [13CH3]Sc1cnoc1 62a_200025704644_100009815712 [0,1,0,1,0,0|1,0,1]=4 1543 B7R1.2 CN1CCC(C1)O 2230a_100011215560_200000210301 [0,1,0,1,0,0|1,0,1]=4 1544 B7R1.2 CN1CCC(C1)O 269982a_100011215560_200000210301 [0,1,0,1,0,0|1,0,1]=4 1545 B7R1.2 Cc1c[nH]c(n1)O 271570a_203496583355_100161115468 [0,1,0,1,0,0|1,0,1]=4 1546 B7R1.2 Cc1cc(cs1)O 271570a_203496583355_100000759034 [0,1,0,1,0,0|0,0,2]=4 1547 B7R1.2 Cc1cc(n[nH]1)O 271570a_203496583355_100015199547 [0,1,0,1,0,0|1,0,1]=4 1548 B7R1.2 Cc1cc(sn1)O 271570a_203496583355_100009815735 [0,1,0,1,0,0|1,0,1]=4 1549 B7R1.2 Cc1ccc(s1)O 271570a_203496583355_100000761539 [0,1,0,1,0,0|1,0,1]=4 1550 B7R1.2 Cc1cnc(s1)O 271570a_203496583355_100000690809 [0,1,0,1,0,0|1,0,1]=4 1551 B7R1.2 Cc1csc(c1)O 271570a_203496583355_100009876951 [0,1,0,1,0,0|0,0,2]=4 1552 B7R1.2 Cc1csc(n1)O 271570a_203496583355_100011291629 [0,1,0,1,0,0|1,0,1]=4 1553 B7R1.2 Cc1nc(c[nH]1)O 271570a_203496583355_100009814057 [0,1,0,1,0,0|1,0,1]=4 1554 B7R1.2 Cc1nc(cs1)O 271570a_203496583355_100011934587 [0,1,0,1,0,0|1,0,1]=4 1555 B7R1.2 Cc1ncc(s1)O 271570a_203496583355_100000764884 [0,1,0,1,0,0|1,0,1]=4 1556 B7R1.2 [13CH3]N1CCC(C1)O 2230a_100011215560_200025704644 [0,1,0,1,0,0|1,0,1]=4 1557 B7R1.2 [13CH3]N1CCC(C1)O 269982a_100011215560_200025704644 [0,1,0,1,0,0|1,0,1]=4 1558 B7R1.3 CN1CCCOC1 2230a_100000131196_200000210301 [0,1,0,1,0,0|1,0,1]=4 1559 B7R1.3 CN1CCCOC1 269982a_100000131196_200000210301 [0,1,0,1,0,0|1,0,1]=4 1560 B7R1.3 CN1CCCOC1 34a_100000131196_200000210301 [0,1,0,1,0,0|1,0,1]=4 1561 B7R1.3 CN1CCOCC1 2230a_100015191051_200000210301 [0,1,0,1,0,0|1,0,1]=4 1562 B7R1.3 CN1CCOCC1 269982a_100015191051_200000210301 [0,1,0,1,0,0|1,0,1]=4 1563 B7R1.3 CN1CCOCC1 34a_100015191051_200000210301 [0,1,0,1,0,0|1,0,1]=4 1564 B7R1.3 [13CH3]N1CCCOC1 2230a_100000131196_200025704644 [0,1,0,1,0,0|1,0,1]=4 1565 B7R1.3 [13CH3]N1CCCOC1 269982a_100000131196_200025704644 [0,1,0,1,0,0|1,0,1]=4 1566 B7R1.3 [13CH3]N1CCCOC1 34a_100000131196_200025704644 [0,1,0,1,0,0|1,0,1]=4 1567 B7R1.3 [13CH3]N1CCOCC1 2230a_100015191051_200025704644 [0,1,0,1,0,0|1,0,1]=4 1568 B7R1.3 [13CH3]N1CCOCC1 269982a_100015191051_200025704644 [0,1,0,1,0,0|1,0,1]=4 1569 B7R1.3 [13CH3]N1CCOCC1 34a_100015191051_200025704644 [0,1,0,1,0,0|1,0,1]=4 1570 B7R1.4 Cc1oncc1O 271570a_203496583355_100009872056 [0,1,0,1,0,0|2,0,0]=4 1571 B7R1.5 CC1CC1CO[13CH3] 34a_100000744939_200025704644 [0,1,0,1,0,0|0,0,2]=4 1572 B7R1.5 CC1CC1CO[13CH3] 7a_100000744939_200025704644 [0,1,0,1,0,0|0,0,2]=4 1573 B7R1.5 COCC1CC1C 34a_100000744939_200000210301 [0,1,0,1,0,0|0,0,2]=4 1574 B7R1.5 COCC1CC1C 7a_100000744939_200000210301 [0,1,0,1,0,0|0,0,2]=4 1575 B7R1.6 OCCN1CCC1 269982a_100000754969_100000211926 [0,1,0,1,0,0|1,0,1]=4 1576 B7R1.10 CCN1CC(C1)O 269982a_100000749847_100000204670 [0,1,0,1,0,0|1,0,1]=4 1577 B7R1.10 CN1CC(C1)CO 269982a_100016987283_200000210301 [0,1,0,1,0,0|1,0,1]=4 1578 B7R1.10 CN1CC(C1)CO 34a_100016987283_200000210301 [0,1,0,1,0,0|1,0,1]=4 1579 B7R1.10 CN[C@H]1C[C@@H](C1)O 2230a_100020629032_200000210301 [0,1,0,1,0,0|0,0,2]=4 1580 B7R1.10 COC1CN(C1)C 269982a_100000755009_200000210301 [0,1,0,1,0,0|1,0,1]=4 1581 B7R1.10 COC1CN(C1)[13CH3] 269982a_100000755009_200025704644 [0,1,0,1,0,0|1,0,1]=4 1582 B7R1.10 OC1CN(C1)CF 269982a_100000749847_100015361967 [0,1,0,1,0,0|1,0,1]=4 1583 B7R1.10 [13CH3]N1CC(C1)CO 269982a_100016987283_200025704644 [0,1,0,1,0,0|1,0,1]=4 1584 B7R1.10 [13CH3]N1CC(C1)CO 34a_100016987283_200025704644 [0,1,0,1,0,0|1,0,1]=4 1585 B7R1.10 [13CH3]N[C@H]1C[C@@H](C1)O 2230a_100020629032_200025704644 [0,1,0,1,0,0|0,0,2]=4 1586 B7R1.15 C[C@H]1[C@H](CN1C)O 2230a_206633788156_200000210301 [0,1,0,1,0,0|1,0,1]=4 1587 B7R1.15 C[C@H]1[C@H](CN1C)O 269982a_206633788156_200000210301 [0,1,0,1,0,0|1,0,1]=4 1588 B7R1.15 C[C@H]1[C@H](CN1[13CH3])O 2230a_206633788156_200025704644 [0,1,0,1,0,0|1,0,1]=4 1589 B7R1.15 C[C@H]1[C@H](CN1[13CH3])O 269982a_206633788156_200025704644 [0,1,0,1,0,0|1,0,1]=4 1590 B7R1.22 CCC(=O)C1CC1 1458a_100000210395_100000210202 [0,1,0,1,0,0|1,0,1]=4 1591 B7R1.22 CCC(=O)C1CO1 1458a_100000701028_100000210202 [0,1,0,1,0,0|1,0,1]=4 1592 B7R1.22 CNC(=O)C1CO1 11a_106832991635_100000701028 [0,1,0,1,0,0|1,0,1]=4 1593 B7R1.22 CNC(=O)C1CO1 1626a_100102657272_100000701028 [0,1,0,1,0,0|1,0,1]=4 1594 B7R1.22 CNC(=O)C1CO1 240690a_100102657272_100000701028 [0,1,0,1,0,0|1,0,1]=4 1595 B7R1.22 CNC(=O)C1CO1 527a_100102657272_100000701028 [0,1,0,1,0,0|1,0,1]=4 1596 B7R1.22 CNC(C)C1CO1 270004a_106832991635_100000031964 [0,1,0,1,0,0|0,0,2]=4 1597 B7R1.22 O=C(CF)C1CC1 1458a_100000210395_100015361967 [0,1,0,1,0,0|1,0,1]=4 1598 B7R1.22 O=C(CF)C1CO1 1458a_100000701028_100015361967 [0,1,0,1,0,0|1,0,1]=4 1599 B7R1.16 CC1(CN(C1)[13CH3])O 2230a_100000718560_200025704644 [0,1,0,1,0,0|1,0,1]=4 1600 B7R1.16 CC1(CN(C1)[13CH3])O 269982a_100000718560_200025704644 [0,1,0,1,0,0|1,0,1]=4 1601 B7R1.16 CN1CC(C1)(C)O 2230a_100000718560_200000210301 [0,1,0,1,0,0|1,0,1]=4 1602 B7R1.16 CN1CC(C1)(C)O 269982a_100000718560_200000210301 [0,1,0,1,0,0|1,0,1]=4 1603 B7R1.20 CC(=O)CC1CO1 1458a_100000070787_100011216344 [0,1,0,1,0,0|1,0,1]=4 1604 B7R1.20 CC(=O)C[C@@H]1CO1 1458a_100000070787_100000745022 [0,1,0,1,0,0|1,0,1]=4 1605 B7R1.20 CN(C)CC1CO1 2230a_100102631434_100011216344 [0,1,0,1,0,0|1,0,1]=4 1606 B7R1.20 CN(C)CC1CO1 269982a_100102631434_102125554688 [0,1,0,1,0,0|1,0,1]=4 1607 B7R1.20 CN(C)C[C@@H]1CO1 269982a_100102631434_100000745022 [0,1,0,1,0,0|1,0,1]=4 1608 B7R1.18 CC(=O)C1CCO1 1458a_100000089072_200000210301 [0,1,0,1,0,0|1,0,1]=4 1609 B7R1.18 CC(=O)C1COC1 1458a_100000070787_100000687716 [0,1,0,1,0,0|1,0,1]=4 1610 B7R1.18 CC(=O)C1COC1 1458a_100000758290_200000210301 [0,1,0,1,0,0|1,0,1]=4 1611 B7R1.18 CN(C)C1COC1 2230a_100102693430_200000210301 [0,1,0,1,0,0|1,0,1]=4 1612 B7R1.18 CN(C)C1COC1 269982a_100102631434_100000687716 [0,1,0,1,0,0|1,0,1]=4 1613 B7R1.18 CN(C)C1COC1 269982a_100102693430_200000210301 [0,1,0,1,0,0|1,0,1]=4 1614 B7R1.18 CN([13CH3])C1COC1 2230a_100102693430_200025704644 [0,1,0,1,0,0|1,0,1]=4 1615 B7R1.18 CN([13CH3])C1COC1 269982a_100102693430_200025704644 [0,1,0,1,0,0|1,0,1]=4 1616 B7R1.18 [13CH3]C(=O)C1CCO1 1458a_100000089072_200025704644 [0,1,0,1,0,0|1,0,1]=4 1617 B7R1.18 [13CH3]C(=O)C1COC1 1458a_100000758290_200025704644 [0,1,0,1,0,0|1,0,1]=4 1618 B7R1.7 COCCC1CC1 34a_100000754188_200000210301 [0,1,0,1,0,0|0,0,2]=4 1619 B7R1.7 COCCC1CC1 34a_100138415774_100000694398 [0,1,0,1,0,0|0,0,2]=4 1620 B7R1.7 COCCC1CC1 7a_100000754188_200000210301 [0,1,0,1,0,0|0,0,2]=4 1621 B7R1.7 COCSC1CC1 62a_100000766300_100000211595 [0,1,0,1,0,0|1,0,1]=4 1622 B7R1.7 OCCNC1CC1 34a_100000212008_100000211926 [0,1,0,1,0,0|0,0,2]=4 1623 B7R1.7 OCCNC1CC1 34a_100016990907_100000211595 [0,1,0,1,0,0|0,0,2]=4 1624 B7R1.7 OCCSC1CC1 62a_100000211926_100000211595 [0,1,0,1,0,0|0,0,2]=4 1625 B7R1.7 [13CH3]OCCC1CC1 34a_100000754188_200025704644 [0,1,0,1,0,0|0,0,2]=4 1626 B7R1.7 [13CH3]OCCC1CC1 7a_100000754188_200025704644 [0,1,0,1,0,0|0,0,2]=4