0 B5R0.3 C#CC(=O)CC 1458a_100000211873_100000210202 [0,0,0,0,0,0|2,0,2]=4 1 B5R0.3 C#CC(C)NC 2230a_100000707721_200000210301 [0,0,0,0,0,0|2,0,1]=3 2 B5R0.3 C#CC(C)NC 34a_100000707721_200000210301 [0,0,0,0,0,0|2,0,1]=3 3 B5R0.3 C#CC(C)NC 34a_100102657272_200000035995 [0,0,0,0,0,0|2,0,1]=3 4 B5R0.3 C#CC(C)N[13CH3] 2230a_100000707721_200025704644 [0,0,0,0,0,0|2,0,1]=3 5 B5R0.3 C#CC(C)N[13CH3] 34a_100000707721_200025704644 [0,0,0,0,0,0|2,0,1]=3 6 B5R0.3 C#CC(C)OC 34a_100138415774_200000035995 [0,0,0,0,0,0|2,0,1]=3 7 B5R0.3 C#CC(C)SC 62a_200000035995_200000210301 [0,0,0,0,0,0|2,0,1]=3 8 B5R0.3 C#CC(C)S[13CH3] 62a_200000035995_200025704644 [0,0,0,0,0,0|2,0,1]=3 9 B5R0.3 C#C[C@@H](C)OC 34a_100009815206_200000210301 [0,0,0,0,0,0|2,0,1]=3 10 B5R0.3 C#C[C@@H](C)OC 7a_100009815206_200000210301 [0,0,0,0,0,0|2,0,1]=3 11 B5R0.3 C#C[C@@H](C)O[13CH3] 34a_100009815206_200025704644 [0,0,0,0,0,0|2,0,1]=3 12 B5R0.3 C#C[C@@H](C)O[13CH3] 7a_100009815206_200025704644 [0,0,0,0,0,0|2,0,1]=3 13 B5R0.3 C=CC(=O)CC 1458a_100000185746_100000210202 [0,0,0,0,0,0|2,0,1]=3 14 B5R0.3 C=CC(=O)CF 1458a_100000185746_100015361967 [0,0,0,0,0,0|3,0,1]=4 15 B5R0.3 C=CC(=O)NC 1626a_100102657272_100000185746 [0,0,0,0,0,0|3,0,1]=4 16 B5R0.3 C=CC(=O)NC 240690a_100102657272_200121576911 [0,0,0,0,0,0|3,0,1]=4 17 B5R0.3 C=CC(C)OC 34a_100000695699_200000210301 [0,0,0,0,0,0|2,0,0]=2 18 B5R0.3 C=CC(C)O[13CH3] 34a_100000695699_200025704644 [0,0,0,0,0,0|2,0,0]=2 19 B5R0.3 C=CC(C)SC 62a_100011215867_200000210301 [0,0,0,0,0,0|2,0,0]=2 20 B5R0.3 C=CC(C)S[13CH3] 62a_100011215867_200025704644 [0,0,0,0,0,0|2,0,0]=2 21 B5R0.3 CC(C#N)N[13CH3] 2230a_100000737613_200025704644 [0,0,0,0,0,0|2,0,1]=3 22 B5R0.3 CC(C#N)O[13CH3] 34a_100011218135_200025704644 [0,0,0,0,0,0|2,0,1]=3 23 B5R0.3 CC(C#N)S[13CH3] 62a_100000703298_200025704644 [0,0,0,0,0,0|2,0,1]=3 24 B5R0.3 CC(C#N)S[13CH3] 62a_200025704644_100000703298 [0,0,0,0,0,0|2,0,1]=3 25 B5R0.3 CC(CF)O[13CH3] 34a_100016041109_200025704644 [0,0,0,0,0,0|2,0,1]=3 26 B5R0.3 CC(CF)O[13CH3] 7a_100016041109_200025704644 [0,0,0,0,0,0|2,0,1]=3 27 B5R0.3 CC(CN)O[13CH3] 34a_100000210904_200025704644 [0,0,0,0,0,0|2,0,1]=3 28 B5R0.3 CC(CO)S[13CH3] 62a_100012180447_200025704644 [0,0,0,0,0,0|1,0,2]=3 29 B5R0.3 CCC(=O)CC 1458a_100000210414_100000210202 [0,0,0,0,0,0|2,0,2]=4 30 B5R0.3 CCC(=O)CF 1458a_100000210414_100015361967 [0,0,0,0,0,0|2,0,2]=4 31 B5R0.3 CCC(=O)CO 1458a_100000210174_100000210202 [0,0,0,0,0,0|1,0,3]=4 32 B5R0.3 CCC(=O)NC 11a_106832991635_100000210414 [0,0,0,0,0,0|3,0,1]=4 33 B5R0.3 CCC(=O)NC 1626a_100102657272_100000210414 [0,0,0,0,0,0|3,0,1]=4 34 B5R0.3 CCC(=O)NC 240690a_100102657272_100000210414 [0,0,0,0,0,0|3,0,1]=4 35 B5R0.3 CCC(=O)NC 527a_100102657272_100000210414 [0,0,0,0,0,0|3,0,1]=4 36 B5R0.3 CCC(C)NC 2230a_100000209981_200000210301 [0,0,0,0,0,0|2,0,0]=2 37 B5R0.3 CCC(C)NC 2230a_106832991635_100000758301 [0,0,0,0,0,0|2,0,0]=2 38 B5R0.3 CCC(C)NC 34a_100102657272_100011215416 [0,0,0,0,0,0|2,0,0]=2 39 B5R0.3 CCC(C)NC 7a_106832991635_100000758301 [0,0,0,0,0,0|2,0,0]=2 40 B5R0.3 CCC(C)N[13CH3] 2230a_100000209981_200025704644 [0,0,0,0,0,0|2,0,0]=2 41 B5R0.3 CCC(C)OC 34a_100138415774_100011215416 [0,0,0,0,0,0|2,0,0]=2 42 B5R0.3 CCC(C)OC 7a_100000210228_200000210301 [0,0,0,0,0,0|2,0,0]=2 43 B5R0.3 CCC(C)O[13CH3] 7a_100000210228_200025704644 [0,0,0,0,0,0|2,0,0]=2 44 B5R0.3 CCC(C)SC 62a_100000758301_200000210301 [0,0,0,0,0,0|2,0,0]=2 45 B5R0.3 CCC(C)SC 62a_200000210301_100000758301 [0,0,0,0,0,0|2,0,0]=2 46 B5R0.3 CCC(C)S[13CH3] 62a_100000758301_200025704644 [0,0,0,0,0,0|2,0,0]=2 47 B5R0.3 CCC(C)S[13CH3] 62a_200025704644_100000758301 [0,0,0,0,0,0|2,0,0]=2 48 B5R0.3 CCN(C)CC 2230a_100000225621_100000210202 [0,0,0,0,0,0|2,0,1]=3 49 B5R0.3 CCN(C)CC 2230a_100000724800_200000210301 [0,0,0,0,0,0|2,0,1]=3 50 B5R0.3 CCN(C)CC 269956a_100000042499_200000210301 [0,0,0,0,0,0|2,0,1]=3 51 B5R0.3 CCN(C)CC 269982a_100000225621_100000204670 [0,0,0,0,0,0|2,0,1]=3 52 B5R0.3 CCN(C)CC 269982a_100000724800_200000210301 [0,0,0,0,0,0|2,0,1]=3 53 B5R0.3 CCN(C)CF 269982a_100000225621_100015361967 [0,0,0,0,0,0|2,0,1]=3 54 B5R0.3 CCN([13CH3])CC 2230a_100000724800_200025704644 [0,0,0,0,0,0|2,0,1]=3 55 B5R0.3 CCN([13CH3])CC 269956a_100000042499_200025704644 [0,0,0,0,0,0|2,0,1]=3 56 B5R0.3 CCN([13CH3])CC 269982a_100000724800_200025704644 [0,0,0,0,0,0|2,0,1]=3 57 B5R0.3 CNC(C)C#N 2230a_100000737613_200000210301 [0,0,0,0,0,0|2,0,1]=3 58 B5R0.3 CNC(C)C#N 2230a_106832991635_100000184139 [0,0,0,0,0,0|2,0,1]=3 59 B5R0.3 CNC(C)C#N 7a_106832991635_100000703298 [0,0,0,0,0,0|2,0,1]=3 60 B5R0.3 CNC(C)CO 2230a_106832991635_100012180447 [0,0,0,0,0,0|1,0,2]=3 61 B5R0.3 CNC(C)CO 34a_100102657272_100012180447 [0,0,0,0,0,0|1,0,2]=3 62 B5R0.3 CNC(C)CO 7a_106832991635_100012180447 [0,0,0,0,0,0|1,0,2]=3 63 B5R0.3 CN[C@H](C)CO 2230a_100000737577_200000210301 [0,0,0,0,0,0|1,0,2]=3 64 B5R0.3 COC(C)C#N 34a_100011218135_200000210301 [0,0,0,0,0,0|2,0,1]=3 65 B5R0.3 COC(C)CF 34a_100016041109_200000210301 [0,0,0,0,0,0|2,0,1]=3 66 B5R0.3 COC(C)CF 7a_100016041109_200000210301 [0,0,0,0,0,0|2,0,1]=3 67 B5R0.3 COC(C)CN 34a_100000210904_200000210301 [0,0,0,0,0,0|2,0,1]=3 68 B5R0.3 COC(C)CO 34a_100138415774_100012180447 [0,0,0,0,0,0|1,0,2]=3 69 B5R0.3 COC(C)SC 62a_100009879195_200000210301 [0,0,0,0,0,0|3,0,0]=3 70 B5R0.3 COC(C)SC 62a_200000210301_100009879195 [0,0,0,0,0,0|3,0,0]=3 71 B5R0.3 COC(C)S[13CH3] 62a_100009879195_200025704644 [0,0,0,0,0,0|3,0,0]=3 72 B5R0.3 COC(C)S[13CH3] 62a_200025704644_100009879195 [0,0,0,0,0,0|3,0,0]=3 73 B5R0.3 CSC(C)C#N 62a_100000703298_200000210301 [0,0,0,0,0,0|2,0,1]=3 74 B5R0.3 CSC(C)C#N 62a_200000210301_100000703298 [0,0,0,0,0,0|2,0,1]=3 75 B5R0.3 CSC(C)CO 62a_100012180447_200000210301 [0,0,0,0,0,0|1,0,2]=3 76 B5R0.3 CSC(F)C#N 62a_200000117898_200000210301 [0,0,0,0,0,0|3,0,1]=4 77 B5R0.3 CSC(F)C#N 62a_200000210301_200000117898 [0,0,0,0,0,0|3,0,1]=4 78 B5R0.3 CS[C@H](C)CO 62a_100016084084_200000210301 [0,0,0,0,0,0|1,0,2]=3 79 B5R0.3 CS[C@H](C)CO 62a_200000210301_100016084084 [0,0,0,0,0,0|1,0,2]=3 80 B5R0.3 C[C@H](CO)N[13CH3] 2230a_100000737577_200025704644 [0,0,0,0,0,0|1,0,2]=3 81 B5R0.3 C[C@H](CO)S[13CH3] 62a_100016084084_200025704644 [0,0,0,0,0,0|1,0,2]=3 82 B5R0.3 C[C@H](CO)S[13CH3] 62a_200025704644_100016084084 [0,0,0,0,0,0|1,0,2]=3 83 B5R0.3 [13CH3]SC(F)C#N 62a_200000117898_200025704644 [0,0,0,0,0,0|3,0,1]=4 84 B5R0.3 [13CH3]SC(F)C#N 62a_200025704644_200000117898 [0,0,0,0,0,0|3,0,1]=4 85 B4R0.1 C#CC(=O)C 1458a_100000211873_200000210301 [1,0,0,0,0,0|0,0,3]=4 86 B4R0.1 C#CC(=O)[13CH3] 1458a_100000211873_200025704644 [1,0,0,0,0,0|0,0,3]=4 87 B4R0.1 C=CC(=O)C 1458a_100000185746_200000210301 [1,0,0,0,0,0|0,0,3]=4 88 B4R0.1 C=CC(=O)[13CH3] 1458a_100000185746_200025704644 [1,0,0,0,0,0|0,0,3]=4 89 B4R0.1 CC(=O)CF 1458a_100000070787_100015361967 [1,0,0,0,0,0|1,0,1]=3 90 B4R0.1 CC(=O)CO 1458a_100000210174_200000210301 [1,0,0,0,0,0|1,0,1]=3 91 B4R0.1 CC(C)N[13CH3] 2230a_100138425928_200025704644 [1,0,0,0,0,0|1,0,1]=3 92 B4R0.1 CC(C)N[13CH3] 34a_100138425928_200025704644 [1,0,0,0,0,0|1,0,1]=3 93 B4R0.1 CC(C)O[13CH3] 34a_100000212225_200025704644 [1,0,0,0,0,0|1,0,1]=3 94 B4R0.1 CC(C)S[13CH3] 62a_100000210206_200025704644 [1,0,0,0,0,0|1,0,1]=3 95 B4R0.1 CC(C)S[13CH3] 62a_200025704644_100000210206 [1,0,0,0,0,0|1,0,1]=3 96 B4R0.1 CCC(=O)C 1458a_100000070787_100000210202 [1,0,0,0,0,0|0,0,1]=2 97 B4R0.1 CCC(=O)C 1458a_100000210414_200000210301 [1,0,0,0,0,0|0,0,1]=2 98 B4R0.1 CCC(=O)[13CH3] 1458a_100000210414_200025704644 [1,0,0,0,0,0|0,0,1]=2 99 B4R0.1 CCN(C)C 2230a_100000225621_200000210301 [1,0,0,0,0,0|1,0,1]=3 100 B4R0.1 CCN(C)C 2230a_100102631434_100000210202 [1,0,0,0,0,0|1,0,1]=3 101 B4R0.1 CCN(C)C 269982a_100000225621_200000210301 [1,0,0,0,0,0|1,0,1]=3 102 B4R0.1 CCN(C)C 269982a_100102631434_100000204670 [1,0,0,0,0,0|1,0,1]=3 103 B4R0.1 CCN(C)[13CH3] 2230a_100000225621_200025704644 [1,0,0,0,0,0|1,0,1]=3 104 B4R0.1 CCN(C)[13CH3] 269982a_100000225621_200025704644 [1,0,0,0,0,0|1,0,1]=3 105 B4R0.1 CN(C)CF 269982a_100102631434_100015361967 [1,0,0,0,0,0|2,0,1]=4 106 B4R0.1 CNC(=O)C 11a_106832991635_100015343762 [1,0,0,0,0,0|1,0,1]=3 107 B4R0.1 CNC(=O)C 1626a_100102657272_100015343762 [1,0,0,0,0,0|1,0,1]=3 108 B4R0.1 CNC(=O)C 240690a_100102657272_100015343762 [1,0,0,0,0,0|1,0,1]=3 109 B4R0.1 CNC(=O)C 527a_100102657272_100103153847 [1,0,0,0,0,0|1,0,1]=3 110 B4R0.1 CNC(C)C 2230a_100138425928_200000210301 [1,0,0,0,0,0|1,0,1]=3 111 B4R0.1 CNC(C)C 2230a_106832991635_100000210206 [1,0,0,0,0,0|1,0,1]=3 112 B4R0.1 CNC(C)C 34a_100102657272_100000210206 [1,0,0,0,0,0|1,0,1]=3 113 B4R0.1 CNC(C)C 34a_100138425928_200000210301 [1,0,0,0,0,0|1,0,1]=3 114 B4R0.1 CNC(C)C 7a_106832991635_100000210206 [1,0,0,0,0,0|1,0,1]=3 115 B4R0.1 COC(C)C 34a_100000212225_200000210301 [1,0,0,0,0,0|1,0,1]=3 116 B4R0.1 COC(C)C 34a_100138415774_100000210206 [1,0,0,0,0,0|1,0,1]=3 117 B4R0.1 CSC(C)C 62a_100000210206_200000210301 [1,0,0,0,0,0|1,0,1]=3 118 B4R0.1 CSC(C)C 62a_200000210301_100000210206 [1,0,0,0,0,0|1,0,1]=3 119 B4R0.1 [13CH3]C(=O)CO 1458a_100000210174_200025704644 [1,0,0,0,0,0|1,0,1]=3 120 B4R0.2 C#CCNC 2230a_106832991635_100000038162 [1,0,0,0,0,0|2,0,1]=4 121 B4R0.2 C#CCNC 34a_100000212058_200000210301 [1,0,0,0,0,0|2,0,1]=4 122 B4R0.2 C#CCNC 34a_100102657272_100000184674 [1,0,0,0,0,0|2,0,1]=4 123 B4R0.2 C#CCNC 7a_106832991635_100000038162 [1,0,0,0,0,0|2,0,1]=4 124 B4R0.2 C#CCN[13CH3] 34a_100000212058_200025704644 [1,0,0,0,0,0|2,0,1]=4 125 B4R0.2 C#CCOC 34a_100000210247_200000210301 [1,0,0,0,0,0|2,0,1]=4 126 B4R0.2 C#CCOC 34a_100138415774_100000184674 [1,0,0,0,0,0|2,0,1]=4 127 B4R0.2 C#CCO[13CH3] 34a_100000210247_200025704644 [1,0,0,0,0,0|2,0,1]=4 128 B4R0.2 C#CCSC 62a_100000038162_200000210301 [1,0,0,0,0,0|2,0,1]=4 129 B4R0.2 C#CCS[13CH3] 62a_100000038162_200025704644 [1,0,0,0,0,0|2,0,1]=4 130 B4R0.2 C=CCNC 2230a_100020586998_200000210301 [1,0,0,0,0,0|2,0,0]=3 131 B4R0.2 C=CCNC 2230a_106832991635_100000210623 [1,0,0,0,0,0|2,0,0]=3 132 B4R0.2 C=CCNC 34a_100102657272_100015514636 [1,0,0,0,0,0|2,0,0]=3 133 B4R0.2 C=CCNC 7a_106832991635_100015514636 [1,0,0,0,0,0|2,0,0]=3 134 B4R0.2 C=CCN[13CH3] 2230a_100020586998_200025704644 [1,0,0,0,0,0|2,0,0]=3 135 B4R0.2 C=CCOC 34a_100138415774_100015514636 [1,0,0,0,0,0|2,0,0]=3 136 B4R0.2 C=CCOC 34a_200000210373_200000210301 [1,0,0,0,0,0|2,0,0]=3 137 B4R0.2 C=CCO[13CH3] 34a_200000210373_200025704644 [1,0,0,0,0,0|2,0,0]=3 138 B4R0.2 C=CCSC 62a_100000210623_200000210301 [1,0,0,0,0,0|2,0,0]=3 139 B4R0.2 C=CCSC 62a_200000210301_100000210623 [1,0,0,0,0,0|2,0,0]=3 140 B4R0.2 C=CCS[13CH3] 62a_100000210623_200025704644 [1,0,0,0,0,0|2,0,0]=3 141 B4R0.2 C=CCS[13CH3] 62a_200025704644_100000210623 [1,0,0,0,0,0|2,0,0]=3 142 B4R0.2 CCCNC 2230a_106832991635_100000210303 [1,0,0,0,0,0|2,0,0]=3 143 B4R0.2 CCCNC 34a_100102657272_100000210303 [1,0,0,0,0,0|2,0,0]=3 144 B4R0.2 CCCNC 7a_106832991635_100000210303 [1,0,0,0,0,0|2,0,0]=3 145 B4R0.2 CCCOC 34a_100000210258_200000210301 [1,0,0,0,0,0|2,0,0]=3 146 B4R0.2 CCCOC 34a_100138415774_100000210303 [1,0,0,0,0,0|2,0,0]=3 147 B4R0.2 CCCO[13CH3] 34a_100000210258_200025704644 [1,0,0,0,0,0|2,0,0]=3 148 B4R0.2 CCCSC 62a_100000210303_200000210301 [1,0,0,0,0,0|2,0,0]=3 149 B4R0.2 CCCSC 62a_200000210301_100000210303 [1,0,0,0,0,0|2,0,0]=3 150 B4R0.2 CCCS[13CH3] 62a_100000210303_200025704644 [1,0,0,0,0,0|2,0,0]=3 151 B4R0.2 CCCS[13CH3] 62a_200025704644_100000210303 [1,0,0,0,0,0|2,0,0]=3 152 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 CNCC#N 2230a_106832991635_100011215382 [1,0,0,0,0,0|2,0,1]=4 159 B4R0.2 CNCC#N 7a_106832991635_100011215382 [1,0,0,0,0,0|2,0,1]=4 160 B4R0.2 CNCC=O 2230a_106832991635_200015260668 [1,0,0,0,0,0|1,0,0]=2 161 B4R0.2 CNCC=O 34a_100102657272_200009817547 [1,0,0,0,0,0|1,0,0]=2 162 B4R0.2 CNCC=O 7a_106832991635_200015260668 [1,0,0,0,0,0|1,0,0]=2 163 B4R0.2 CNCCF 2230a_106832991635_100011217306 [1,0,0,0,0,0|2,0,1]=4 164 B4R0.2 CNCCF 34a_100000724931_200000210301 [1,0,0,0,0,0|2,0,1]=4 165 B4R0.2 CNCCF 34a_100102657272_100011217306 [1,0,0,0,0,0|2,0,1]=4 166 B4R0.2 CNCCF 7a_106832991635_100011217306 [1,0,0,0,0,0|2,0,1]=4 167 B4R0.2 CNCCO 2230a_100016997473_200000210301 [1,0,0,0,0,0|1,0,2]=4 168 B4R0.2 CNCCO 2230a_106832991635_100000211926 [1,0,0,0,0,0|1,0,2]=4 169 B4R0.2 CNCCO 34a_100016990907_200000210301 [1,0,0,0,0,0|1,0,2]=4 170 B4R0.2 CNCCO 34a_100102657272_100000211926 [1,0,0,0,0,0|1,0,2]=4 171 B4R0.2 CNCCO 7a_106832991635_100000211926 [1,0,0,0,0,0|1,0,2]=4 172 B4R0.2 CNCOC 2230a_106832991635_100000766300 [1,0,0,0,0,0|3,0,0]=4 173 B4R0.2 CNCSC 2230a_106832991635_100011218213 [1,0,0,0,0,0|3,0,0]=4 174 B4R0.2 CNCSC 34a_100102657272_100011218213 [1,0,0,0,0,0|3,0,0]=4 175 B4R0.2 COCC=O 34a_100138415774_200009817547 [1,0,0,0,0,0|1,0,0]=2 176 B4R0.2 COCCBr 34a_100000211926_200000210301 [1,0,0,0,0,0|2,0,1]=4 177 B4R0.2 COCCF 34a_100138415774_100011217306 [1,0,0,0,0,0|2,0,1]=4 178 B4R0.2 COCCN 34a_100000210304_200000210301 [1,0,0,0,0,0|2,0,1]=4 179 B4R0.2 COCCO 34a_100138415774_100000211926 [1,0,0,0,0,0|1,0,2]=4 180 B4R0.2 COCSC 34a_100138415774_100011218213 [1,0,0,0,0,0|3,0,0]=4 181 B4R0.2 COCSC 62a_100000766300_200000210301 [1,0,0,0,0,0|3,0,0]=4 182 B4R0.2 COCSC 62a_200000210301_100000766300 [1,0,0,0,0,0|3,0,0]=4 183 B4R0.2 COCS[13CH3] 62a_100000766300_200025704644 [1,0,0,0,0,0|3,0,0]=4 184 B4R0.2 COCS[13CH3] 62a_200025704644_100000766300 [1,0,0,0,0,0|3,0,0]=4 185 B4R0.2 CSCC#N 62a_100011215382_200000210301 [1,0,0,0,0,0|2,0,1]=4 186 B4R0.2 CSCC#N 62a_200000210301_100011215382 [1,0,0,0,0,0|2,0,1]=4 187 B4R0.2 CSCC=O 62a_200000210301_200015260668 [1,0,0,0,0,0|1,0,0]=2 188 B4R0.2 CSCC=O 62a_200015260668_200000210301 [1,0,0,0,0,0|1,0,0]=2 189 B4R0.2 CSCCF 62a_100011217306_200000210301 [1,0,0,0,0,0|2,0,1]=4 190 B4R0.2 CSCCF 62a_200000210301_100011217306 [1,0,0,0,0,0|2,0,1]=4 191 B4R0.2 CSCCO 62a_100000211926_200000210301 [1,0,0,0,0,0|1,0,2]=4 192 B4R0.2 CSCCO 62a_200000210301_100000211926 [1,0,0,0,0,0|1,0,2]=4 193 B4R0.2 CSCSC 62a_100011218213_200000210301 [1,0,0,0,0,0|3,0,0]=4 194 B4R0.2 CSCSC 62a_200000210301_100011218213 [1,0,0,0,0,0|3,0,0]=4 195 B4R0.2 CSCS[13CH3] 62a_100011218213_200025704644 [1,0,0,0,0,0|3,0,0]=4 196 B4R0.2 CSCS[13CH3] 62a_200025704644_100011218213 [1,0,0,0,0,0|3,0,0]=4 197 B4R0.2 [13CH3]NCCF 34a_100000724931_200025704644 [1,0,0,0,0,0|2,0,1]=4 198 B4R0.2 [13CH3]NCCO 2230a_100016997473_200025704644 [1,0,0,0,0,0|1,0,2]=4 199 B4R0.2 [13CH3]NCCO 34a_100016990907_200025704644 [1,0,0,0,0,0|1,0,2]=4 200 B4R0.2 [13CH3]OCCBr 34a_100000211926_200025704644 [1,0,0,0,0,0|2,0,1]=4 201 B4R0.2 [13CH3]OCCN 34a_100000210304_200025704644 [1,0,0,0,0,0|2,0,1]=4 202 B4R0.2 [13CH3]SCC#N 62a_100011215382_200025704644 [1,0,0,0,0,0|2,0,1]=4 203 B4R0.2 [13CH3]SCC#N 62a_200025704644_100011215382 [1,0,0,0,0,0|2,0,1]=4 204 B4R0.2 [13CH3]SCC=O 62a_200015260668_200025704644 [1,0,0,0,0,0|1,0,0]=2 205 B4R0.2 [13CH3]SCC=O 62a_200025704644_200015260668 [1,0,0,0,0,0|1,0,0]=2 206 B4R0.2 [13CH3]SCCF 62a_100011217306_200025704644 [1,0,0,0,0,0|2,0,1]=4 207 B4R0.2 [13CH3]SCCF 62a_200025704644_100011217306 [1,0,0,0,0,0|2,0,1]=4 208 B4R0.2 [13CH3]SCCO 62a_100000211926_200025704644 [1,0,0,0,0,0|1,0,2]=4 209 B4R0.2 [13CH3]SCCO 62a_200025704644_100000211926 [1,0,0,0,0,0|1,0,2]=4 210 B6R0.1 C#CC(C)NCC 2230a_100000707721_100000210202 [0,1,0,0,0,0|1,0,1]=3 211 B6R0.1 C#CC(C)NCC 34a_100000707721_100000210202 [0,1,0,0,0,0|1,0,1]=3 212 B6R0.1 C#CC(C)NCF 34a_100000707721_100015361967 [0,1,0,0,0,0|2,0,1]=4 213 B6R0.1 C#CC(C)OCC 34a_100121572206_200000035995 [0,1,0,0,0,0|1,0,1]=3 214 B6R0.1 C#CC(C)SCC 62a_200000035995_100000210202 [0,1,0,0,0,0|1,0,1]=3 215 B6R0.1 C#CC(C)SCF 62a_200000035995_100015361967 [0,1,0,0,0,0|2,0,1]=4 216 B6R0.1 C#CCC(C)OC 34a_100000685586_200000210301 [0,1,0,0,0,0|2,0,1]=4 217 B6R0.1 C#CCC(C)OC 7a_100000685586_200000210301 [0,1,0,0,0,0|2,0,1]=4 218 B6R0.1 C#CCC(C)O[13CH3] 34a_100000685586_200025704644 [0,1,0,0,0,0|2,0,1]=4 219 B6R0.1 C#CCC(C)O[13CH3] 7a_100000685586_200025704644 [0,1,0,0,0,0|2,0,1]=4 220 B6R0.1 C#CCN(C)CC 2230a_100000225621_100000038162 [0,1,0,0,0,0|2,0,1]=4 221 B6R0.1 C#CCN(C)CC 2230a_100000225692_100000210202 [0,1,0,0,0,0|2,0,1]=4 222 B6R0.1 C#CCN(C)CC 2230a_100000744766_200000210301 [0,1,0,0,0,0|2,0,1]=4 223 B6R0.1 C#CCN(C)CC 269982a_100000744766_200000210301 [0,1,0,0,0,0|2,0,1]=4 224 B6R0.1 C#CCN(C)CC 34a_100000225692_100000210202 [0,1,0,0,0,0|2,0,1]=4 225 B6R0.1 C#CCN([13CH3])CC 2230a_100000744766_200025704644 [0,1,0,0,0,0|2,0,1]=4 226 B6R0.1 C#CCN([13CH3])CC 269982a_100000744766_200025704644 [0,1,0,0,0,0|2,0,1]=4 227 B6R0.1 C#C[C@@H](C)OCC 34a_100009815206_100000210202 [0,1,0,0,0,0|1,0,1]=3 228 B6R0.1 C#C[C@@H](C)OCC 7a_100009815206_100000210202 [0,1,0,0,0,0|1,0,1]=3 229 B6R0.1 C#C[C@@H](C)OCF 34a_100009815206_100015361967 [0,1,0,0,0,0|2,0,1]=4 230 B6R0.1 C#C[C@@H](C)OCF 7a_100009815206_100015361967 [0,1,0,0,0,0|2,0,1]=4 231 B6R0.1 C/C=C/C(C)OC 34a_200102604097_200000210301 [0,1,0,0,0,0|2,0,0]=3 232 B6R0.1 C/C=C/C(C)O[13CH3] 34a_200102604097_200025704644 [0,1,0,0,0,0|2,0,0]=3 233 B6R0.1 C=CC(=O)CCC 1458a_100000185746_100000210303 [0,1,0,0,0,0|2,0,1]=4 234 B6R0.1 C=CC(=O)CCF 1458a_100000185746_100011217306 [0,1,0,0,0,0|2,0,1]=4 235 B6R0.1 C=CC(=O)CCO 1458a_100000185746_100000211926 [0,1,0,0,0,0|2,0,1]=4 236 B6R0.1 C=CC(=O)NCC 240690a_100015525214_200121576911 [0,1,0,0,0,0|2,0,1]=4 237 B6R0.1 C=CC(C)COC 34a_100011215527_200000210301 [0,1,0,0,0,0|1,0,0]=2 238 B6R0.1 C=CC(C)COC 7a_100011215527_200000210301 [0,1,0,0,0,0|1,0,0]=2 239 B6R0.1 C=CC(C)CO[13CH3] 34a_100011215527_200025704644 [0,1,0,0,0,0|1,0,0]=2 240 B6R0.1 C=CC(C)CO[13CH3] 7a_100011215527_200025704644 [0,1,0,0,0,0|1,0,0]=2 241 B6R0.1 C=CC(C)OCC 34a_100000695699_100000210202 [0,1,0,0,0,0|1,0,0]=2 242 B6R0.1 C=CC(C)OCF 34a_100000695699_100015361967 [0,1,0,0,0,0|2,0,0]=3 243 B6R0.1 C=CC(C)SCC 62a_100011215867_100000210202 [0,1,0,0,0,0|1,0,0]=2 244 B6R0.1 C=CC(C)SCF 62a_100011215867_100015361967 [0,1,0,0,0,0|2,0,0]=3 245 B6R0.1 C=CC(O)CNC 2230a_106832991635_100000730141 [0,1,0,0,0,0|2,0,0]=3 246 B6R0.1 C=CC(O)CNC 34a_100102657272_100000730141 [0,1,0,0,0,0|2,0,0]=3 247 B6R0.1 C=CC(O)CNC 7a_106832991635_100000730141 [0,1,0,0,0,0|2,0,0]=3 248 B6R0.1 C=CC(O)COC 34a_100138415774_100000730141 [0,1,0,0,0,0|2,0,0]=3 249 B6R0.1 C=CC(O)CSC 62a_100000730141_200000210301 [0,1,0,0,0,0|2,0,0]=3 250 B6R0.1 C=CC(O)CSC 62a_200000210301_100000730141 [0,1,0,0,0,0|2,0,0]=3 251 B6R0.1 C=CC(O)CS[13CH3] 62a_100000730141_200025704644 [0,1,0,0,0,0|2,0,0]=3 252 B6R0.1 C=CC(O)CS[13CH3] 62a_200025704644_100000730141 [0,1,0,0,0,0|2,0,0]=3 253 B6R0.1 C=CCC(=O)CC 1458a_100000210193_100000210202 [0,1,0,0,0,0|2,0,1]=4 254 B6R0.1 C=CCC(=O)CC 1458a_100000210414_100000210623 [0,1,0,0,0,0|2,0,1]=4 255 B6R0.1 C=CCN(C)CC 2230a_100000225617_100000210202 [0,1,0,0,0,0|2,0,0]=3 256 B6R0.1 C=CCN(C)CC 2230a_100000225621_100000210623 [0,1,0,0,0,0|2,0,0]=3 257 B6R0.1 C=CCN(C)CC 269982a_100000225617_100000204670 [0,1,0,0,0,0|2,0,0]=3 258 B6R0.1 C=CCN(C)CC 269982a_100000225621_100000210623 [0,1,0,0,0,0|2,0,0]=3 259 B6R0.1 C=CCN(C)CF 269982a_100000225617_100015361967 [0,1,0,0,0,0|3,0,0]=4 260 B6R0.1 C=CC[C@@H](C)OC 34a_100000731007_200000210301 [0,1,0,0,0,0|2,0,0]=3 261 B6R0.1 C=CC[C@@H](C)OC 7a_100000731007_200000210301 [0,1,0,0,0,0|2,0,0]=3 262 B6R0.1 C=CC[C@@H](C)O[13CH3] 34a_100000731007_200025704644 [0,1,0,0,0,0|2,0,0]=3 263 B6R0.1 C=CC[C@@H](C)O[13CH3] 7a_100000731007_200025704644 [0,1,0,0,0,0|2,0,0]=3 264 B6R0.1 C=C[C@H](N)COC 34a_100016989147_200000210301 [0,1,0,0,0,0|2,0,0]=3 265 B6R0.1 C=C[C@H](N)CO[13CH3] 34a_100016989147_200025704644 [0,1,0,0,0,0|2,0,0]=3 266 B6R0.1 CC#CC(C)OC 34a_100011216543_200000210301 [0,1,0,0,0,0|2,0,1]=4 267 B6R0.1 CC#CC(C)O[13CH3] 34a_100011216543_200025704644 [0,1,0,0,0,0|2,0,1]=4 268 B6R0.1 CC(C#N)OCF 34a_100011218135_100015361967 [0,1,0,0,0,0|2,0,1]=4 269 B6R0.1 CC(C#N)SCF 62a_100000703298_100015361967 [0,1,0,0,0,0|2,0,1]=4 270 B6R0.1 CC(C#N)SCF 62a_100015361967_100000703298 [0,1,0,0,0,0|2,0,1]=4 271 B6R0.1 CC(CC#N)S[13CH3] 62a_100009813641_200025704644 [0,1,0,0,0,0|2,0,1]=4 272 B6R0.1 CC(CC#N)S[13CH3] 62a_200025704644_100009813641 [0,1,0,0,0,0|2,0,1]=4 273 B6R0.1 CC(CCBr)O[13CH3] 34a_100012276601_200025704644 [0,1,0,0,0,0|2,0,0]=3 274 B6R0.1 CC(CCO)S[13CH3] 62a_100009893172_200025704644 [0,1,0,0,0,0|2,0,0]=3 275 B6R0.1 CC(CCO)S[13CH3] 62a_200025704644_100009893172 [0,1,0,0,0,0|2,0,0]=3 276 B6R0.1 CC(CF)OCF 34a_100016041109_100015361967 [0,1,0,0,0,0|2,0,1]=4 277 B6R0.1 CC(CF)OCF 7a_100016041109_100015361967 [0,1,0,0,0,0|2,0,1]=4 278 B6R0.1 CC(CN)CO[13CH3] 34a_100000744482_200025704644 [0,1,0,0,0,0|1,0,1]=3 279 B6R0.1 CC(CN)OCF 34a_100000210904_100015361967 [0,1,0,0,0,0|2,0,1]=4 280 B6R0.1 CC(CO)CN[13CH3] 34a_100000744482_200025704644 [0,1,0,0,0,0|0,0,2]=3 281 B6R0.1 CC(CO)SCF 62a_100012180447_100015361967 [0,1,0,0,0,0|1,0,2]=4 282 B6R0.1 CC=CC(=O)CC 1458a_100000210699_100000210202 [0,1,0,0,0,0|2,0,1]=4 283 B6R0.1 CCC(=O)C=CBr 1458a_100016273825_100000210202 [0,1,0,0,0,0|2,0,1]=4 284 B6R0.1 CCC(=O)C=CCl 1458a_200016279998_100000210202 [0,1,0,0,0,0|2,0,1]=4 285 B6R0.1 CCC(=O)C=CI 1458a_100016256311_100000210202 [0,1,0,0,0,0|2,0,1]=4 286 B6R0.1 CCC(C)CNC 2230a_100020588543_200000210301 [0,1,0,0,0,0|1,0,1]=3 287 B6R0.1 CCC(C)CNC 2230a_106832991635_100000748023 [0,1,0,0,0,0|1,0,1]=3 288 B6R0.1 CCC(C)CNC 270004a_106832991635_100000243153 [0,1,0,0,0,0|1,0,1]=3 289 B6R0.1 CCC(C)CNC 34a_100102657272_100000748023 [0,1,0,0,0,0|1,0,1]=3 290 B6R0.1 CCC(C)CNC 7a_106832991635_100000748023 [0,1,0,0,0,0|1,0,1]=3 291 B6R0.1 CCC(C)CN[13CH3] 2230a_100020588543_200025704644 [0,1,0,0,0,0|1,0,1]=3 292 B6R0.1 CCC(C)COC 34a_100138415774_100000748023 [0,1,0,0,0,0|0,0,2]=3 293 B6R0.1 CCC(C)CSC 62a_100000748023_200000210301 [0,1,0,0,0,0|0,1,1]=3 294 B6R0.1 CCC(C)CSC 62a_200000210301_100000748023 [0,1,0,0,0,0|0,1,1]=3 295 B6R0.1 CCC(C)CS[13CH3] 62a_100000748023_200025704644 [0,1,0,0,0,0|0,1,1]=3 296 B6R0.1 CCC(C)CS[13CH3] 62a_200025704644_100000748023 [0,1,0,0,0,0|0,1,1]=3 297 B6R0.1 CCC(C)OCF 7a_100000210228_100015361967 [0,1,0,0,0,0|1,0,1]=3 298 B6R0.1 CCC(C)SCF 62a_100000758301_100015361967 [0,1,0,0,0,0|1,0,1]=3 299 B6R0.1 CCC(C)SCF 62a_100015361967_100000758301 [0,1,0,0,0,0|1,0,1]=3 300 B6R0.1 CCC(O)CNC 2230a_100011218483_200000210301 [0,1,0,0,0,0|2,0,1]=4 301 B6R0.1 CCC(O)CNC 2230a_106832991635_100011218378 [0,1,0,0,0,0|2,0,1]=4 302 B6R0.1 CCC(O)CNC 34a_100102657272_100011218378 [0,1,0,0,0,0|2,0,1]=4 303 B6R0.1 CCC(O)CNC 7a_106832991635_100011218378 [0,1,0,0,0,0|2,0,1]=4 304 B6R0.1 CCC(O)CN[13CH3] 2230a_100011218483_200025704644 [0,1,0,0,0,0|2,0,1]=4 305 B6R0.1 CCC(O)COC 34a_100138415774_100011218378 [0,1,0,0,0,0|1,0,2]=4 306 B6R0.1 CCC(O)CSC 62a_100011218378_200000210301 [0,1,0,0,0,0|1,1,1]=4 307 B6R0.1 CCC(O)CSC 62a_200000210301_100011218378 [0,1,0,0,0,0|1,1,1]=4 308 B6R0.1 CCC(O)CS[13CH3] 62a_100011218378_200025704644 [0,1,0,0,0,0|1,1,1]=4 309 B6R0.1 CCC(O)CS[13CH3] 62a_200025704644_100011218378 [0,1,0,0,0,0|1,1,1]=4 310 B6R0.1 CCCC(C)NC 2230a_100000741246_200000210301 [0,1,0,0,0,0|2,0,0]=3 311 B6R0.1 CCCC(C)NC 2230a_106832991635_100000766640 [0,1,0,0,0,0|2,0,0]=3 312 B6R0.1 CCCC(C)NC 270004a_106832991635_100000211909 [0,1,0,0,0,0|2,0,0]=3 313 B6R0.1 CCCC(C)NC 34a_100102657272_100000766640 [0,1,0,0,0,0|2,0,0]=3 314 B6R0.1 CCCC(C)NC 7a_106832991635_100000766640 [0,1,0,0,0,0|2,0,0]=3 315 B6R0.1 CCCC(C)N[13CH3] 2230a_100000741246_200025704644 [0,1,0,0,0,0|2,0,0]=3 316 B6R0.1 CCCC(C)OC 34a_100000764384_200000210301 [0,1,0,0,0,0|2,0,0]=3 317 B6R0.1 CCCC(C)OC 34a_100138415774_100000766640 [0,1,0,0,0,0|2,0,0]=3 318 B6R0.1 CCCC(C)OC 7a_100000764384_200000210301 [0,1,0,0,0,0|2,0,0]=3 319 B6R0.1 CCCC(C)O[13CH3] 34a_100000764384_200025704644 [0,1,0,0,0,0|2,0,0]=3 320 B6R0.1 CCCC(C)O[13CH3] 7a_100000764384_200025704644 [0,1,0,0,0,0|2,0,0]=3 321 B6R0.1 CCCC(C)SC 62a_100000766640_200000210301 [0,1,0,0,0,0|2,0,0]=3 322 B6R0.1 CCCC(C)SC 62a_200000210301_100000766640 [0,1,0,0,0,0|2,0,0]=3 323 B6R0.1 CCCC(C)S[13CH3] 62a_100000766640_200025704644 [0,1,0,0,0,0|2,0,0]=3 324 B6R0.1 CCCC(C)S[13CH3] 62a_200025704644_100000766640 [0,1,0,0,0,0|2,0,0]=3 325 B6R0.1 CCCN(C)CC 2230a_100000225621_100000210303 [0,1,0,0,0,0|2,0,1]=4 326 B6R0.1 CCCN(C)CC 2230a_100000226822_200000210301 [0,1,0,0,0,0|2,0,1]=4 327 B6R0.1 CCCN(C)CC 2230a_100000747261_100000210202 [0,1,0,0,0,0|2,0,1]=4 328 B6R0.1 CCCN(C)CC 269982a_100000225621_100000210303 [0,1,0,0,0,0|2,0,1]=4 329 B6R0.1 CCCN(C)CC 269982a_100000226822_200000210301 [0,1,0,0,0,0|2,0,1]=4 330 B6R0.1 CCCN(C)CC 269982a_100000747261_100000204670 [0,1,0,0,0,0|2,0,1]=4 331 B6R0.1 CCCN(C)CF 269982a_100000747261_100015361967 [0,1,0,0,0,0|2,0,1]=4 332 B6R0.1 CCCN([13CH3])CC 2230a_100000226822_200025704644 [0,1,0,0,0,0|2,0,1]=4 333 B6R0.1 CCCN([13CH3])CC 269982a_100000226822_200025704644 [0,1,0,0,0,0|2,0,1]=4 334 B6R0.1 CCN(C)CC#N 2230a_100000225621_100011215382 [0,1,0,0,0,0|2,0,1]=4 335 B6R0.1 CCN(C)CC#N 2230a_100000748184_100000210202 [0,1,0,0,0,0|2,0,1]=4 336 B6R0.1 CCN(C)CC#N 269982a_100000225621_100011214920 [0,1,0,0,0,0|2,0,1]=4 337 B6R0.1 CCN(C)CC=O 2230a_100000225621_200015260668 [0,1,0,0,0,0|1,0,0]=2 338 B6R0.1 CCN(C)CC=O 269982a_100000225621_200015260668 [0,1,0,0,0,0|1,0,0]=2 339 B6R0.1 CCN(C)CCF 2230a_100000225621_100011217306 [0,1,0,0,0,0|2,0,1]=4 340 B6R0.1 CCN(C)CCF 269982a_100000225621_100011217306 [0,1,0,0,0,0|2,0,1]=4 341 B6R0.1 CCN(C)CCO 2230a_100000210263_100000210202 [0,1,0,0,0,0|1,0,2]=4 342 B6R0.1 CCN(C)CCO 2230a_100000210973_200000210301 [0,1,0,0,0,0|1,0,2]=4 343 B6R0.1 CCN(C)CCO 2230a_100000225621_100000211926 [0,1,0,0,0,0|1,0,2]=4 344 B6R0.1 CCN(C)CCO 269982a_100000210263_100000204670 [0,1,0,0,0,0|1,0,2]=4 345 B6R0.1 CCN(C)CCO 269982a_100000210973_200000210301 [0,1,0,0,0,0|1,0,2]=4 346 B6R0.1 CCN(C)CCO 269982a_100000225621_100000211926 [0,1,0,0,0,0|1,0,2]=4 347 B6R0.1 CCN(C)COC 2230a_100000225621_100000766300 [0,1,0,0,0,0|1,0,2]=4 348 B6R0.1 CCN(C)COC 269982a_100000225621_100000766300 [0,1,0,0,0,0|1,0,2]=4 349 B6R0.1 CCN(C)CSC 2230a_100000225621_100011218213 [0,1,0,0,0,0|1,1,1]=4 350 B6R0.1 CCN(C)CSC 269982a_100000225621_100011218213 [0,1,0,0,0,0|1,1,1]=4 351 B6R0.1 CCN([13CH3])CCO 2230a_100000210973_200025704644 [0,1,0,0,0,0|1,0,2]=4 352 B6R0.1 CCN([13CH3])CCO 269982a_100000210973_200025704644 [0,1,0,0,0,0|1,0,2]=4 353 B6R0.1 CCNC(C)C#N 2230a_100000737613_100000210202 [0,1,0,0,0,0|1,0,1]=3 354 B6R0.1 CCNC(C)C#N 2230a_100015525214_100000184139 [0,1,0,0,0,0|1,0,1]=3 355 B6R0.1 CCNC(C)CC 2230a_100000209981_100000210202 [0,1,0,0,0,0|1,0,1]=3 356 B6R0.1 CCNC(C)CC 2230a_100015525214_100000758301 [0,1,0,0,0,0|1,0,1]=3 357 B6R0.1 CCNC(C)CO 2230a_100015525214_100012180447 [0,1,0,0,0,0|0,0,2]=3 358 B6R0.1 CCN[C@H](C)CO 2230a_100000737577_100000210202 [0,1,0,0,0,0|0,0,2]=3 359 B6R0.1 CCOC(C)C#N 34a_100011218135_100000210202 [0,1,0,0,0,0|1,0,1]=3 360 B6R0.1 CCOC(C)CC 34a_100121572206_100011215416 [0,1,0,0,0,0|1,0,1]=3 361 B6R0.1 CCOC(C)CC 7a_100000210228_100000210202 [0,1,0,0,0,0|1,0,1]=3 362 B6R0.1 CCOC(C)CF 34a_100016041109_100000210202 [0,1,0,0,0,0|1,0,1]=3 363 B6R0.1 CCOC(C)CF 7a_100016041109_100000210202 [0,1,0,0,0,0|1,0,1]=3 364 B6R0.1 CCOC(C)CN 34a_100000210904_100000210202 [0,1,0,0,0,0|1,0,1]=3 365 B6R0.1 CCOC(C)CO 34a_100121572206_100012180447 [0,1,0,0,0,0|0,0,2]=3 366 B6R0.1 CCSC(C)C#N 62a_100000210202_100000703298 [0,1,0,0,0,0|1,0,1]=3 367 B6R0.1 CCSC(C)C#N 62a_100000703298_100000210202 [0,1,0,0,0,0|1,0,1]=3 368 B6R0.1 CCSC(C)CC 62a_100000210202_100000758301 [0,1,0,0,0,0|1,0,1]=3 369 B6R0.1 CCSC(C)CC 62a_100000758301_100000210202 [0,1,0,0,0,0|1,0,1]=3 370 B6R0.1 CCSC(C)CO 62a_100012180447_100000210202 [0,1,0,0,0,0|0,0,2]=3 371 B6R0.1 CCSC(C)OC 62a_100000210202_100009879195 [0,1,0,0,0,0|2,0,0]=3 372 B6R0.1 CCSC(C)OC 62a_100009879195_100000210202 [0,1,0,0,0,0|2,0,0]=3 373 B6R0.1 CCSC(F)C#N 62a_100000210202_200000117898 [0,1,0,0,0,0|2,0,1]=4 374 B6R0.1 CCSC(F)C#N 62a_200000117898_100000210202 [0,1,0,0,0,0|2,0,1]=4 375 B6R0.1 CCS[C@H](C)CO 62a_100000210202_100016084084 [0,1,0,0,0,0|0,0,2]=3 376 B6R0.1 CCS[C@H](C)CO 62a_100016084084_100000210202 [0,1,0,0,0,0|0,0,2]=3 377 B6R0.1 CC[C@H](C)CNC 2230a_106832991635_100009816398 [0,1,0,0,0,0|1,0,1]=3 378 B6R0.1 CC[C@H](C)CNC 34a_100102657272_100009816398 [0,1,0,0,0,0|1,0,1]=3 379 B6R0.1 CC[C@H](C)CNC 7a_106832991635_100009816398 [0,1,0,0,0,0|1,0,1]=3 380 B6R0.1 CC[C@H](C)COC 34a_100138415774_100009816398 [0,1,0,0,0,0|0,0,2]=3 381 B6R0.1 CC[C@H](C)COC 7a_100009816381_200000210301 [0,1,0,0,0,0|0,0,2]=3 382 B6R0.1 CC[C@H](C)CO[13CH3] 7a_100009816381_200025704644 [0,1,0,0,0,0|0,0,2]=3 383 B6R0.1 CC[C@H](C)CSC 62a_100009816398_200000210301 [0,1,0,0,0,0|0,1,1]=3 384 B6R0.1 CC[C@H](C)CSC 62a_200000210301_100009816398 [0,1,0,0,0,0|0,1,1]=3 385 B6R0.1 CC[C@H](C)CS[13CH3] 62a_100009816398_200025704644 [0,1,0,0,0,0|0,1,1]=3 386 B6R0.1 CC[C@H](C)CS[13CH3] 62a_200025704644_100009816398 [0,1,0,0,0,0|0,1,1]=3 387 B6R0.1 CN(CF)CCO 269982a_100000210263_100015361967 [0,1,0,0,0,0|2,0,1]=4 388 B6R0.1 CNC(C)CC#N 2230a_106832991635_100009813641 [0,1,0,0,0,0|2,0,1]=4 389 B6R0.1 CNC(C)CC#N 7a_106832991635_100009813641 [0,1,0,0,0,0|2,0,1]=4 390 B6R0.1 CNC(C)CCO 2230a_106832991635_100009893172 [0,1,0,0,0,0|2,0,0]=3 391 B6R0.1 CNC(C)CCO 34a_100102657272_100009893172 [0,1,0,0,0,0|2,0,0]=3 392 B6R0.1 CNC(C)CCO 7a_106832991635_100009893172 [0,1,0,0,0,0|2,0,0]=3 393 B6R0.1 CNC(C)COC 2230a_106832991635_100000765312 [0,1,0,0,0,0|2,0,0]=3 394 B6R0.1 CNC(C)COC 270004a_106832991635_100000749346 [0,1,0,0,0,0|2,0,0]=3 395 B6R0.1 CNC(C)COC 34a_100102657272_100000765312 [0,1,0,0,0,0|2,0,0]=3 396 B6R0.1 CNC(C)COC 7a_106832991635_100000765312 [0,1,0,0,0,0|2,0,0]=3 397 B6R0.1 CNC(C)CSC 270004a_106832991635_100011216314 [0,1,0,0,0,0|2,0,0]=3 398 B6R0.1 CNCC(C)CO 34a_100000744482_200000210301 [0,1,0,0,0,0|0,0,2]=3 399 B6R0.1 CNCC(O)CO 2230a_106832991635_100011219619 [0,1,0,0,0,0|1,0,2]=4 400 B6R0.1 CNCC(O)CO 34a_100102657272_100011219619 [0,1,0,0,0,0|1,0,2]=4 401 B6R0.1 CNCC(O)CO 7a_106832991635_100011219619 [0,1,0,0,0,0|1,0,2]=4 402 B6R0.1 CNC[C@@H](C)CO 2230a_106832991635_100000059175 [0,1,0,0,0,0|0,0,2]=3 403 B6R0.1 CNC[C@@H](C)CO 34a_100102657272_100000059175 [0,1,0,0,0,0|0,0,2]=3 404 B6R0.1 CNC[C@@H](C)CO 7a_106832991635_100000059175 [0,1,0,0,0,0|0,0,2]=3 405 B6R0.1 CNC[C@@H](C)OC 2230a_100020591295_200000210301 [0,1,0,0,0,0|2,0,0]=3 406 B6R0.1 CNC[C@@H](F)CO 34a_100015665980_200000210301 [0,1,0,0,0,0|1,0,2]=4 407 B6R0.1 CNC[C@@H](O)CF 2230a_106832991635_100015614560 [0,1,0,0,0,0|2,0,1]=4 408 B6R0.1 CNC[C@@H](O)CF 34a_100102657272_100015614560 [0,1,0,0,0,0|2,0,1]=4 409 B6R0.1 CNC[C@@H](O)CF 7a_106832991635_100015614560 [0,1,0,0,0,0|2,0,1]=4 410 B6R0.1 CNC[C@@H](O)CO 2230a_106832991635_100009815848 [0,1,0,0,0,0|1,0,2]=4 411 B6R0.1 CNC[C@@H](O)CO 34a_100102657272_100009815848 [0,1,0,0,0,0|1,0,2]=4 412 B6R0.1 CNC[C@@H](O)CO 7a_106832991635_100009815848 [0,1,0,0,0,0|1,0,2]=4 413 B6R0.1 CNC[C@H](O)CO 2230a_100020644852_200000210301 [0,1,0,0,0,0|1,0,2]=4 414 B6R0.1 CN[C@@H](C)CC#N 2230a_100016994482_200000210301 [0,1,0,0,0,0|2,0,1]=4 415 B6R0.1 CN[C@H](C)CCO 2230a_100000706166_200000210301 [0,1,0,0,0,0|2,0,0]=3 416 B6R0.1 CN[C@H](C)CCO 34a_100000706166_200000210301 [0,1,0,0,0,0|2,0,0]=3 417 B6R0.1 CN[C@H](C)COC 2230a_100000764878_200000210301 [0,1,0,0,0,0|2,0,0]=3 418 B6R0.1 COC(C)CCBr 34a_100012276601_200000210301 [0,1,0,0,0,0|2,0,0]=3 419 B6R0.1 COC(C)CCO 34a_100138415774_100009893172 [0,1,0,0,0,0|2,0,0]=3 420 B6R0.1 COC(C)CO[13CH3] 34a_100000690652_200025704644 [0,1,0,0,0,0|2,0,0]=3 421 B6R0.1 COC(C)SCF 62a_100009879195_100015361967 [0,1,0,0,0,0|2,0,1]=4 422 B6R0.1 COC(C)SCF 62a_100015361967_100009879195 [0,1,0,0,0,0|2,0,1]=4 423 B6R0.1 COCC(C)CN 34a_100000744482_200000210301 [0,1,0,0,0,0|1,0,1]=3 424 B6R0.1 COCC(C)OC 34a_100000690652_200000210301 [0,1,0,0,0,0|2,0,0]=3 425 B6R0.1 COCC(C)OC 34a_100138415774_100000765312 [0,1,0,0,0,0|2,0,0]=3 426 B6R0.1 COCC(C)SC 62a_100000765312_200000210301 [0,1,0,0,0,0|2,0,0]=3 427 B6R0.1 COCC(C)SC 62a_200000210301_100000765312 [0,1,0,0,0,0|2,0,0]=3 428 B6R0.1 COCC(C)S[13CH3] 62a_100000765312_200025704644 [0,1,0,0,0,0|2,0,0]=3 429 B6R0.1 COCC(C)S[13CH3] 62a_200025704644_100000765312 [0,1,0,0,0,0|2,0,0]=3 430 B6R0.1 COCC(Cl)CCl 34a_100000033668_200000210301 [0,1,0,0,0,0|2,0,1]=4 431 B6R0.1 COCC(O)CO 34a_100138415774_100011219619 [0,1,0,0,0,0|1,0,2]=4 432 B6R0.1 COC[C@@H](C)CO 34a_100138415774_100000059175 [0,1,0,0,0,0|0,0,2]=3 433 B6R0.1 COC[C@@H](C)N[13CH3] 2230a_100000764878_200025704644 [0,1,0,0,0,0|2,0,0]=3 434 B6R0.1 COC[C@@H](C)OC 34a_100011934205_200000210301 [0,1,0,0,0,0|2,0,0]=3 435 B6R0.1 COC[C@@H](C)O[13CH3] 34a_100011934205_200025704644 [0,1,0,0,0,0|2,0,0]=3 436 B6R0.1 COC[C@@H](O)CF 34a_100138415774_100015614560 [0,1,0,0,0,0|2,0,1]=4 437 B6R0.1 COC[C@@H](O)CO 34a_100138415774_100009815848 [0,1,0,0,0,0|1,0,2]=4 438 B6R0.1 COC[C@H](F)CN 34a_100015665980_200000210301 [0,1,0,0,0,0|2,0,1]=4 439 B6R0.1 CO[C@H](C)CN[13CH3] 2230a_100020591295_200025704644 [0,1,0,0,0,0|2,0,0]=3 440 B6R0.1 CSC(C)CC#N 62a_100009813641_200000210301 [0,1,0,0,0,0|2,0,1]=4 441 B6R0.1 CSC(C)CC#N 62a_200000210301_100009813641 [0,1,0,0,0,0|2,0,1]=4 442 B6R0.1 CSC(C)CCO 62a_100009893172_200000210301 [0,1,0,0,0,0|2,0,0]=3 443 B6R0.1 CSC(C)CCO 62a_200000210301_100009893172 [0,1,0,0,0,0|2,0,0]=3 444 B6R0.1 CSCC(O)CO 62a_100011219619_200000210301 [0,1,0,0,0,0|1,0,2]=4 445 B6R0.1 CSCC(O)CO 62a_200000210301_100011219619 [0,1,0,0,0,0|1,0,2]=4 446 B6R0.1 CSC[C@@H](C)CO 62a_100000059175_200000210301 [0,1,0,0,0,0|0,0,2]=3 447 B6R0.1 CSC[C@@H](C)CO 62a_200000210301_100000059175 [0,1,0,0,0,0|0,0,2]=3 448 B6R0.1 CSC[C@@H](O)CF 62a_100015614560_200000210301 [0,1,0,0,0,0|2,0,1]=4 449 B6R0.1 CSC[C@@H](O)CF 62a_200000210301_100015614560 [0,1,0,0,0,0|2,0,1]=4 450 B6R0.1 CSC[C@@H](O)CO 62a_100009815848_200000210301 [0,1,0,0,0,0|1,0,2]=4 451 B6R0.1 CSC[C@@H](O)CO 62a_200000210301_100009815848 [0,1,0,0,0,0|1,0,2]=4 452 B6R0.1 C[C@@H](CC#N)N[13CH3] 2230a_100016994482_200025704644 [0,1,0,0,0,0|2,0,1]=4 453 B6R0.1 C[C@@H](CO)CS[13CH3] 62a_100000059175_200025704644 [0,1,0,0,0,0|0,0,2]=3 454 B6R0.1 C[C@@H](CO)CS[13CH3] 62a_200025704644_100000059175 [0,1,0,0,0,0|0,0,2]=3 455 B6R0.1 C[C@H](CCO)N[13CH3] 2230a_100000706166_200025704644 [0,1,0,0,0,0|2,0,0]=3 456 B6R0.1 C[C@H](CCO)N[13CH3] 34a_100000706166_200025704644 [0,1,0,0,0,0|2,0,0]=3 457 B6R0.1 C[C@H](CO)SCF 62a_100015361967_100016084084 [0,1,0,0,0,0|1,0,2]=4 458 B6R0.1 C[C@H](CO)SCF 62a_100016084084_100015361967 [0,1,0,0,0,0|1,0,2]=4 459 B6R0.1 [13CH3]NC[C@@H](F)CO 34a_100015665980_200025704644 [0,1,0,0,0,0|1,0,2]=4 460 B6R0.1 [13CH3]NC[C@H](O)CO 2230a_100020644852_200025704644 [0,1,0,0,0,0|1,0,2]=4 461 B6R0.1 [13CH3]OCC(Cl)CCl 34a_100000033668_200025704644 [0,1,0,0,0,0|2,0,1]=4 462 B6R0.1 [13CH3]OC[C@H](F)CN 34a_100015665980_200025704644 [0,1,0,0,0,0|2,0,1]=4 463 B6R0.1 [13CH3]SCC(O)CO 62a_100011219619_200025704644 [0,1,0,0,0,0|1,0,2]=4 464 B6R0.1 [13CH3]SCC(O)CO 62a_200025704644_100011219619 [0,1,0,0,0,0|1,0,2]=4 465 B6R0.1 [13CH3]SC[C@@H](O)CF 62a_100015614560_200025704644 [0,1,0,0,0,0|2,0,1]=4 466 B6R0.1 [13CH3]SC[C@@H](O)CF 62a_200025704644_100015614560 [0,1,0,0,0,0|2,0,1]=4 467 B6R0.1 [13CH3]SC[C@@H](O)CO 62a_100009815848_200025704644 [0,1,0,0,0,0|1,0,2]=4 468 B6R0.1 [13CH3]SC[C@@H](O)CO 62a_200025704644_100009815848 [0,1,0,0,0,0|1,0,2]=4 469 B6R0.3 C#CC(C)C(=O)C 1458a_100000070787_200000035995 [0,1,0,0,0,0|0,0,2]=3 470 B6R0.3 C/C=C(\C)/C(=O)C 1458a_100020587367_200000210301 [0,1,0,0,0,0|0,0,2]=3 471 B6R0.3 C/C=C(\C)/C(=O)[13CH3] 1458a_100020587367_200025704644 [0,1,0,0,0,0|0,0,2]=3 472 B6R0.3 C=C(C)C(=O)CC 1458a_100000185857_100000210202 [0,1,0,0,0,0|2,0,1]=4 473 B6R0.3 C=C(C)C(C)NC 269862a_106832991636_100011216138 [0,1,0,0,0,0|2,0,0]=3 474 B6R0.3 C=CC(=O)C(C)C 1458a_100000185746_100000210206 [0,1,0,0,0,0|2,0,1]=4 475 B6R0.3 C=CC(C)C(=O)C 1458a_100011216780_200000210301 [0,1,0,0,0,0|0,0,2]=3 476 B6R0.3 C=CC(C)C(=O)[13CH3] 1458a_100011216780_200025704644 [0,1,0,0,0,0|0,0,2]=3 477 B6R0.3 C=CC(C)N(C)C 269982a_100102631434_100011215867 [0,1,0,0,0,0|2,0,0]=3 478 B6R0.3 CC(=O)C(C)C#N 1458a_100000070787_100000703298 [0,1,0,0,0,0|1,0,1]=3 479 B6R0.3 CC(=O)C(C)C#N 1458a_100000753662_200000210301 [0,1,0,0,0,0|1,0,1]=3 480 B6R0.3 CC(=O)C(C)O[13CH3] 34a_100000212229_200025704644 [0,1,0,0,0,0|1,0,0]=2 481 B6R0.3 CC(=O)C(C)S[13CH3] 62a_100009814033_200025704644 [0,1,0,0,0,0|1,0,0]=2 482 B6R0.3 CC(=O)C(C)S[13CH3] 62a_200025704644_100009814033 [0,1,0,0,0,0|1,0,0]=2 483 B6R0.3 CC(=O)C(O)CO 1458a_100011215603_200000210301 [0,1,0,0,0,0|2,0,0]=3 484 B6R0.3 CC(C#N)C(=O)[13CH3] 1458a_100000753662_200025704644 [0,1,0,0,0,0|1,0,1]=3 485 B6R0.3 CC(C#N)N(C)C 2230a_100102631434_100000184139 [0,1,0,0,0,0|2,0,1]=4 486 B6R0.3 CC(C#N)N(C)C 269982a_100102631434_100000703298 [0,1,0,0,0,0|2,0,1]=4 487 B6R0.3 CC(C)C(C)N[13CH3] 2230a_100000211541_200025704644 [0,1,0,0,0,0|2,0,0]=3 488 B6R0.3 CC(C)C(C)O[13CH3] 7a_100000748068_200025704644 [0,1,0,0,0,0|2,0,0]=3 489 B6R0.3 CC(C)N(C)CF 269982a_200000211004_100015361967 [0,1,0,0,0,0|2,0,1]=4 490 B6R0.3 CC(CO)N(C)C 2230a_100000693034_200000210301 [0,1,0,0,0,0|1,0,2]=4 491 B6R0.3 CC(CO)N(C)C 2230a_100102631434_100012180447 [0,1,0,0,0,0|1,0,2]=4 492 B6R0.3 CC(CO)N(C)C 269982a_100000693034_200000210301 [0,1,0,0,0,0|1,0,2]=4 493 B6R0.3 CC(CO)N(C)[13CH3] 2230a_100000693034_200025704644 [0,1,0,0,0,0|1,0,2]=4 494 B6R0.3 CC(CO)N(C)[13CH3] 269982a_100000693034_200025704644 [0,1,0,0,0,0|1,0,2]=4 495 B6R0.3 CC(S[13CH3])C(=O)N 62a_100000702099_200025704644 [0,1,0,0,0,0|1,0,0]=2 496 B6R0.3 CC(S[13CH3])C(=O)N 62a_200025704644_100000702099 [0,1,0,0,0,0|1,0,0]=2 497 B6R0.3 CCC(C)C(=O)C 1458a_100000070787_100000758301 [0,1,0,0,0,0|0,0,0]=1 498 B6R0.3 CCC(C)C(=O)C 1458a_100011192722_200000210301 [0,1,0,0,0,0|0,0,0]=1 499 B6R0.3 CCC(C)C(=O)[13CH3] 1458a_100011192722_200025704644 [0,1,0,0,0,0|0,0,0]=1 500 B6R0.3 CCC(C)N(C)C 2230a_100000741768_200000210301 [0,1,0,0,0,0|2,0,0]=3 501 B6R0.3 CCC(C)N(C)C 2230a_100102631434_100000758301 [0,1,0,0,0,0|2,0,0]=3 502 B6R0.3 CCC(C)N(C)C 269982a_100000741768_200000210301 [0,1,0,0,0,0|2,0,0]=3 503 B6R0.3 CCC(C)N(C)C 269982a_100102631434_100000758301 [0,1,0,0,0,0|2,0,0]=3 504 B6R0.3 CCC(C)N(C)[13CH3] 2230a_100000741768_200025704644 [0,1,0,0,0,0|2,0,0]=3 505 B6R0.3 CCC(C)N(C)[13CH3] 269982a_100000741768_200025704644 [0,1,0,0,0,0|2,0,0]=3 506 B6R0.3 CCC(O)C(=O)C 1458a_100011196387_200000210301 [0,1,0,0,0,0|1,0,0]=2 507 B6R0.3 CCC(O)C(=O)[13CH3] 1458a_100011196387_200025704644 [0,1,0,0,0,0|1,0,0]=2 508 B6R0.3 CCN(C)C(=O)C 11a_100000225621_100015343762 [0,1,0,0,0,0|1,0,0]=2 509 B6R0.3 CCN(C)C(=O)C 1626a_100000225621_100015343762 [0,1,0,0,0,0|1,0,0]=2 510 B6R0.3 CCN(C)C(=O)C 240690a_100000225621_100015343762 [0,1,0,0,0,0|1,0,0]=2 511 B6R0.3 CCN(C)C(=O)C 527a_100000225621_100103153847 [0,1,0,0,0,0|1,0,0]=2 512 B6R0.3 CCN(C)C(C)C 2230a_100000223864_200000210301 [0,1,0,0,0,0|2,0,1]=4 513 B6R0.3 CCN(C)C(C)C 2230a_100000225621_100000210206 [0,1,0,0,0,0|2,0,1]=4 514 B6R0.3 CCN(C)C(C)C 269982a_100000223864_200000210301 [0,1,0,0,0,0|2,0,1]=4 515 B6R0.3 CCN(C)C(C)C 269982a_100000225621_100000210206 [0,1,0,0,0,0|2,0,1]=4 516 B6R0.3 CCN(C)C(C)C 269982a_200000211004_100000204670 [0,1,0,0,0,0|2,0,1]=4 517 B6R0.3 CCN([13CH3])C(C)C 2230a_100000223864_200025704644 [0,1,0,0,0,0|2,0,1]=4 518 B6R0.3 CCN([13CH3])C(C)C 269982a_100000223864_200025704644 [0,1,0,0,0,0|2,0,1]=4 519 B6R0.3 CNC(=O)C(=O)C 1458a_100011218921_200000210301 [0,1,0,0,0,0|2,0,1]=4 520 B6R0.3 CNC(=O)C(=O)N 240690a_100102657272_100011215815 [0,1,0,0,0,0|2,0,1]=4 521 B6R0.3 CNC(=O)C(=O)[13CH3] 1458a_100011218921_200025704644 [0,1,0,0,0,0|2,0,1]=4 522 B6R0.3 CNC(C)C(=O)C 2230a_106832991635_100009814033 [0,1,0,0,0,0|1,0,0]=2 523 B6R0.3 CNC(C)C(=O)C 7a_106832991635_100000179758 [0,1,0,0,0,0|1,0,0]=2 524 B6R0.3 CNC(C)C(=O)N 2230a_106832991635_100000702099 [0,1,0,0,0,0|1,0,0]=2 525 B6R0.3 CNC(C)C(=O)N 34a_100102657272_100000702099 [0,1,0,0,0,0|1,0,0]=2 526 B6R0.3 CNC(C)C(=O)N 7a_106832991635_100000702099 [0,1,0,0,0,0|1,0,0]=2 527 B6R0.3 CNC(C)C(C)C 2230a_100000211541_200000210301 [0,1,0,0,0,0|2,0,0]=3 528 B6R0.3 CNC(F)C(=O)N 2230a_106832991635_100009813875 [0,1,0,0,0,0|2,0,0]=3 529 B6R0.3 CNC(F)C(=O)N 34a_100102657272_100009813875 [0,1,0,0,0,0|2,0,0]=3 530 B6R0.3 CNC(F)C(=O)N 7a_106832991635_100009813875 [0,1,0,0,0,0|2,0,0]=3 531 B6R0.3 CNC(F)C(=O)[O-] 34a_100102657272_100020610796 [0,1,0,0,0,0|2,0,0]=3 532 B6R0.3 CN[C@@H](C)C(=O)O 269956a_100000743915_200000210301 [0,1,0,0,0,0|1,0,0]=2 533 B6R0.3 CN[C@H](C)C(=O)N 2230a_100000119354_200000210301 [0,1,0,0,0,0|1,0,0]=2 534 B6R0.3 CN[C@H](C)C(=O)N 34a_100000119354_200000210301 [0,1,0,0,0,0|1,0,0]=2 535 B6R0.3 COC(C)C(=O)C 1458a_100000743197_200000210301 [0,1,0,0,0,0|1,0,0]=2 536 B6R0.3 COC(C)C(=O)C 34a_100000212229_200000210301 [0,1,0,0,0,0|1,0,0]=2 537 B6R0.3 COC(C)C(=O)N 34a_100138415774_100000702099 [0,1,0,0,0,0|1,0,0]=2 538 B6R0.3 COC(C)C(=O)[13CH3] 1458a_100000743197_200025704644 [0,1,0,0,0,0|1,0,0]=2 539 B6R0.3 COC(C)C(C)C 7a_100000748068_200000210301 [0,1,0,0,0,0|2,0,0]=3 540 B6R0.3 COC(C)N(C)C 269982a_100102631434_100009879195 [0,1,0,0,0,0|3,0,0]=4 541 B6R0.3 COC(F)C(=O)N 34a_100138415774_100009813875 [0,1,0,0,0,0|2,0,0]=3 542 B6R0.3 COC(F)C(=O)[O-] 34a_100138415774_100020610796 [0,1,0,0,0,0|2,0,0]=3 543 B6R0.3 CO[C@@H](C)C(=O)[O-] 7a_217856618621_200000210301 [0,1,0,0,0,0|1,0,0]=2 544 B6R0.3 CO[C@H](C)C(=O)N 34a_100000731257_200000210301 [0,1,0,0,0,0|1,0,0]=2 545 B6R0.3 CO[C@H](C)C(=O)N 7a_100000731257_200000210301 [0,1,0,0,0,0|1,0,0]=2 546 B6R0.3 CSC(C)C(=O)C 1458a_100000149566_200000210301 [0,1,0,0,0,0|1,0,0]=2 547 B6R0.3 CSC(C)C(=O)C 62a_100009814033_200000210301 [0,1,0,0,0,0|1,0,0]=2 548 B6R0.3 CSC(C)C(=O)C 62a_200000210301_100009814033 [0,1,0,0,0,0|1,0,0]=2 549 B6R0.3 CSC(C)C(=O)N 62a_100000702099_200000210301 [0,1,0,0,0,0|1,0,0]=2 550 B6R0.3 CSC(C)C(=O)N 62a_200000210301_100000702099 [0,1,0,0,0,0|1,0,0]=2 551 B6R0.3 CSC(C)C(=O)[13CH3] 1458a_100000149566_200025704644 [0,1,0,0,0,0|1,0,0]=2 552 B6R0.3 CSC(F)C(=O)N 62a_100009813875_200000210301 [0,1,0,0,0,0|2,0,0]=3 553 B6R0.3 CSC(F)C(=O)N 62a_200000210301_100009813875 [0,1,0,0,0,0|2,0,0]=3 554 B6R0.3 CSC(F)C(=O)[O-] 62a_100020610796_200000210301 [0,1,0,0,0,0|2,0,0]=3 555 B6R0.3 CSC(F)C(=O)[O-] 62a_200000210301_100020610796 [0,1,0,0,0,0|2,0,0]=3 556 B6R0.3 C[C@@H](N[13CH3])C(=O)N 2230a_100000119354_200025704644 [0,1,0,0,0,0|1,0,0]=2 557 B6R0.3 C[C@@H](N[13CH3])C(=O)N 34a_100000119354_200025704644 [0,1,0,0,0,0|1,0,0]=2 558 B6R0.3 C[C@@H](O[13CH3])C(=O)N 34a_100000731257_200025704644 [0,1,0,0,0,0|1,0,0]=2 559 B6R0.3 C[C@@H](O[13CH3])C(=O)N 7a_100000731257_200025704644 [0,1,0,0,0,0|1,0,0]=2 560 B6R0.3 C[C@H](CO)N(C)C 269982a_100102631434_100016084084 [0,1,0,0,0,0|1,0,2]=4 561 B6R0.3 C[C@H](N[13CH3])C(=O)O 269956a_100000743915_200025704644 [0,1,0,0,0,0|1,0,0]=2 562 B6R0.3 C[C@H](O[13CH3])C(=O)[O-] 7a_217856618621_200025704644 [0,1,0,0,0,0|1,0,0]=2 563 B6R0.3 [13CH3]C(=O)C(O)CO 1458a_100011215603_200025704644 [0,1,0,0,0,0|2,0,0]=3 564 B6R0.3 [13CH3]SC(F)C(=O)N 62a_100009813875_200025704644 [0,1,0,0,0,0|2,0,0]=3 565 B6R0.3 [13CH3]SC(F)C(=O)N 62a_200025704644_100009813875 [0,1,0,0,0,0|2,0,0]=3 566 B6R0.3 [13CH3]SC(F)C(=O)[O-] 62a_100020610796_200025704644 [0,1,0,0,0,0|2,0,0]=3 567 B6R0.3 [13CH3]SC(F)C(=O)[O-] 62a_200025704644_100020610796 [0,1,0,0,0,0|2,0,0]=3 568 B6R0.8 C#CC(C)(C)NC 34a_100000054563_200000210301 [0,1,0,0,0,0|2,0,1]=4 569 B6R0.8 C#CC(C)(C)NC 34a_100102657272_100000038118 [0,1,0,0,0,0|2,0,1]=4 570 B6R0.8 C#CC(C)(C)N[13CH3] 34a_100000054563_200025704644 [0,1,0,0,0,0|2,0,1]=4 571 B6R0.8 C#CC(C)(C)OC 34a_100000189450_200000210301 [0,1,0,0,0,0|2,0,1]=4 572 B6R0.8 C#CC(C)(C)OC 34a_100138415774_100000038118 [0,1,0,0,0,0|2,0,1]=4 573 B6R0.8 C#CC(C)(C)OC 7a_100000189450_200000210301 [0,1,0,0,0,0|2,0,1]=4 574 B6R0.8 C#CC(C)(C)O[13CH3] 34a_100000189450_200025704644 [0,1,0,0,0,0|2,0,1]=4 575 B6R0.8 C#CC(C)(C)O[13CH3] 7a_100000189450_200025704644 [0,1,0,0,0,0|2,0,1]=4 576 B6R0.8 C#CC(C)(C)SC 62a_100000038118_200000210301 [0,1,0,0,0,0|2,0,1]=4 577 B6R0.8 C#CC(C)(C)SC 62a_200000210301_100000038118 [0,1,0,0,0,0|2,0,1]=4 578 B6R0.8 C#CC(C)(C)S[13CH3] 62a_100000038118_200025704644 [0,1,0,0,0,0|2,0,1]=4 579 B6R0.8 C#CC(C)(C)S[13CH3] 62a_200025704644_100000038118 [0,1,0,0,0,0|2,0,1]=4 580 B6R0.8 C=CC(C)(C)OC 34a_100011215311_200000210301 [0,1,0,0,0,0|2,0,0]=3 581 B6R0.8 C=CC(C)(C)OC 7a_100011215311_200000210301 [0,1,0,0,0,0|2,0,0]=3 582 B6R0.8 C=CC(C)(C)O[13CH3] 34a_100011215311_200025704644 [0,1,0,0,0,0|2,0,0]=3 583 B6R0.8 C=CC(C)(C)O[13CH3] 7a_100011215311_200025704644 [0,1,0,0,0,0|2,0,0]=3 584 B6R0.8 C=CC(F)(F)SC 62a_100009814244_200000210301 [0,1,0,0,0,0|3,0,0]=4 585 B6R0.8 C=CC(F)(F)SC 62a_200000210301_100009814244 [0,1,0,0,0,0|3,0,0]=4 586 B6R0.8 C=CC(F)(F)S[13CH3] 62a_100009814244_200025704644 [0,1,0,0,0,0|3,0,0]=4 587 B6R0.8 C=CC(F)(F)S[13CH3] 62a_200025704644_100009814244 [0,1,0,0,0,0|3,0,0]=4 588 B6R0.8 CC(C)(C#N)O[13CH3] 34a_200015195151_200025704644 [0,1,0,0,0,0|2,0,1]=4 589 B6R0.8 CC(C)(C#N)S[13CH3] 62a_100011162410_200025704644 [0,1,0,0,0,0|2,0,1]=4 590 B6R0.8 CC(C)(C#N)S[13CH3] 62a_200025704644_100011162410 [0,1,0,0,0,0|2,0,1]=4 591 B6R0.8 CC(C)(CCl)O[13CH3] 7a_100000764493_200025704644 [0,1,0,0,0,0|2,0,1]=4 592 B6R0.8 CC(C)(CO)N[13CH3] 2230a_100000210608_200025704644 [0,1,0,0,0,0|1,0,2]=4 593 B6R0.8 CCC(C)(C)NC 2230a_100000211385_200000210301 [0,1,0,0,0,0|2,0,0]=3 594 B6R0.8 CCC(C)(C)NC 7a_106832991635_100000210677 [0,1,0,0,0,0|2,0,0]=3 595 B6R0.8 CCC(C)(C)N[13CH3] 2230a_100000211385_200025704644 [0,1,0,0,0,0|2,0,0]=3 596 B6R0.8 CCC(C)(C)OC 7a_100000210230_200000210301 [0,1,0,0,0,0|2,0,0]=3 597 B6R0.8 CCC(C)(C)O[13CH3] 7a_100000210230_200025704644 [0,1,0,0,0,0|2,0,0]=3 598 B6R0.8 CCC(C)(C)SC 62a_100000032637_200000210301 [0,1,0,0,0,0|2,0,0]=3 599 B6R0.8 CCC(C)(C)SC 62a_200000210301_100000032637 [0,1,0,0,0,0|2,0,0]=3 600 B6R0.8 CCC(C)(C)S[13CH3] 62a_100000032637_200025704644 [0,1,0,0,0,0|2,0,0]=3 601 B6R0.8 CCC(C)(C)S[13CH3] 62a_200025704644_100000032637 [0,1,0,0,0,0|2,0,0]=3 602 B6R0.8 CNC(C)(C)C#N 34a_100102657272_100011162410 [0,1,0,0,0,0|2,0,1]=4 603 B6R0.8 CNC(C)(C)C#N 7a_106832991635_100011162410 [0,1,0,0,0,0|2,0,1]=4 604 B6R0.8 CNC(C)(C)CO 2230a_100000210608_200000210301 [0,1,0,0,0,0|1,0,2]=4 605 B6R0.8 COC(C)(C)C#N 34a_100138415774_100011162410 [0,1,0,0,0,0|2,0,1]=4 606 B6R0.8 COC(C)(C)C#N 34a_200015195151_200000210301 [0,1,0,0,0,0|2,0,1]=4 607 B6R0.8 COC(C)(C)CCl 7a_100000764493_200000210301 [0,1,0,0,0,0|2,0,1]=4 608 B6R0.8 CSC(C)(C)C#N 62a_100011162410_200000210301 [0,1,0,0,0,0|2,0,1]=4 609 B6R0.8 CSC(C)(C)C#N 62a_200000210301_100011162410 [0,1,0,0,0,0|2,0,1]=4 610 B6R0.9 C#CC(CC)OC 34a_100000758843_200000210301 [0,1,0,0,0,0|1,0,1]=3 611 B6R0.9 C#CC(CC)OC 7a_100000758843_200000210301 [0,1,0,0,0,0|1,0,1]=3 612 B6R0.9 C#CC(CC)O[13CH3] 34a_100000758843_200025704644 [0,1,0,0,0,0|1,0,1]=3 613 B6R0.9 C#CC(CC)O[13CH3] 7a_100000758843_200025704644 [0,1,0,0,0,0|1,0,1]=3 614 B6R0.9 C=CC(C=C)OC 34a_100000033096_200000210301 [0,1,0,0,0,0|1,0,2]=4 615 B6R0.9 C=CC(C=C)O[13CH3] 34a_100000033096_200025704644 [0,1,0,0,0,0|1,0,2]=4 616 B6R0.9 C=CC(CC)OC 34a_100000766422_200000210301 [0,1,0,0,0,0|1,0,0]=2 617 B6R0.9 C=CC(CC)OC 7a_100000766422_200000210301 [0,1,0,0,0,0|1,0,0]=2 618 B6R0.9 C=CC(CC)O[13CH3] 34a_100000766422_200025704644 [0,1,0,0,0,0|1,0,0]=2 619 B6R0.9 C=CC(CC)O[13CH3] 7a_100000766422_200025704644 [0,1,0,0,0,0|1,0,0]=2 620 B6R0.9 C=C[C@@H](CO)NC 2230a_100016989147_200000210301 [0,1,0,0,0,0|2,0,0]=3 621 B6R0.9 C=C[C@@H](CO)NC 34a_100016989147_200000210301 [0,1,0,0,0,0|2,0,0]=3 622 B6R0.9 C=C[C@@H](CO)N[13CH3] 2230a_100016989147_200025704644 [0,1,0,0,0,0|2,0,0]=3 623 B6R0.9 C=C[C@@H](CO)N[13CH3] 34a_100016989147_200025704644 [0,1,0,0,0,0|2,0,0]=3 624 B6R0.9 CCC(CC)NC 2230a_100000199018_200000210301 [0,1,0,0,0,0|1,0,1]=3 625 B6R0.9 CCC(CC)NC 270004a_106832991635_100000210860 [0,1,0,0,0,0|1,0,1]=3 626 B6R0.9 CCC(CC)NC 7a_106832991635_100000210505 [0,1,0,0,0,0|1,0,1]=3 627 B6R0.9 CCC(CC)N[13CH3] 2230a_100000199018_200025704644 [0,1,0,0,0,0|1,0,1]=3 628 B6R0.9 CCC(CC)OC 7a_100000688536_200000210301 [0,1,0,0,0,0|1,0,1]=3 629 B6R0.9 CCC(CC)O[13CH3] 7a_100000688536_200025704644 [0,1,0,0,0,0|1,0,1]=3 630 B6R0.9 CCC(CC)SC 62a_100000210505_200000210301 [0,1,0,0,0,0|1,0,1]=3 631 B6R0.9 CCC(CC)SC 62a_200000210301_100000210505 [0,1,0,0,0,0|1,0,1]=3 632 B6R0.9 CCC(CC)S[13CH3] 62a_100000210505_200025704644 [0,1,0,0,0,0|1,0,1]=3 633 B6R0.9 CCC(CC)S[13CH3] 62a_200025704644_100000210505 [0,1,0,0,0,0|1,0,1]=3 634 B6R0.9 CCN(CC)CC 2230a_100000724800_100000210202 [0,1,0,0,0,0|2,0,1]=4 635 B6R0.9 CCN(CC)CC 269956a_100000042499_100000210202 [0,1,0,0,0,0|2,0,1]=4 636 B6R0.9 CCN(CC)CC 269982a_100000724800_100000204670 [0,1,0,0,0,0|2,0,1]=4 637 B6R0.9 CCN(CC)CF 269956a_100000042499_100015361967 [0,1,0,0,0,0|2,0,1]=4 638 B6R0.9 CCN(CC)CF 269982a_100000724800_100015361967 [0,1,0,0,0,0|2,0,1]=4 639 B6R0.9 CC[C@@H](CO)NC 2230a_100000709445_200000210301 [0,1,0,0,0,0|0,0,2]=3 640 B6R0.9 CC[C@@H](CO)N[13CH3] 2230a_100000709445_200025704644 [0,1,0,0,0,0|0,0,2]=3 641 B6R0.9 CNC(C=O)C=O 2230a_106832991635_100000736813 [0,1,0,0,0,0|1,0,1]=3 642 B6R0.9 CNC(C=O)C=O 34a_100102657272_100000736813 [0,1,0,0,0,0|1,0,1]=3 643 B6R0.9 CNC(CO)CO 2230a_100000759517_200000210301 [0,1,0,0,0,0|1,0,2]=4 644 B6R0.9 COC(C=O)C=O 34a_100138415774_100000736813 [0,1,0,0,0,0|1,0,1]=3 645 B6R0.9 COC(CCl)CCl 7a_100000737055_200000210301 [0,1,0,0,0,0|2,0,1]=4 646 B6R0.9 COC(CF)CF 34a_100000032261_200000210301 [0,1,0,0,0,0|2,0,1]=4 647 B6R0.9 COC(CF)CF 7a_100000032261_200000210301 [0,1,0,0,0,0|2,0,1]=4 648 B6R0.9 COC(CN)CN 34a_100000031598_200000210301 [0,1,0,0,0,0|2,0,1]=4 649 B6R0.9 CO[C@@H](CF)CCl 34a_100015614560_200000210301 [0,1,0,0,0,0|2,0,1]=4 650 B6R0.9 CO[C@@H](CF)CCl 7a_100015614560_200000210301 [0,1,0,0,0,0|2,0,1]=4 651 B6R0.9 CSC(C=O)C=O 62a_100000736813_200000210301 [0,1,0,0,0,0|1,0,1]=3 652 B6R0.9 CSC(C=O)C=O 62a_200000210301_100000736813 [0,1,0,0,0,0|1,0,1]=3 653 B6R0.9 [13CH3]NC(CO)CO 2230a_100000759517_200025704644 [0,1,0,0,0,0|1,0,2]=4 654 B6R0.9 [13CH3]OC(CCl)CCl 7a_100000737055_200025704644 [0,1,0,0,0,0|2,0,1]=4 655 B6R0.9 [13CH3]OC(CF)CF 34a_100000032261_200025704644 [0,1,0,0,0,0|2,0,1]=4 656 B6R0.9 [13CH3]OC(CF)CF 7a_100000032261_200025704644 [0,1,0,0,0,0|2,0,1]=4 657 B6R0.9 [13CH3]OC(CN)CN 34a_100000031598_200025704644 [0,1,0,0,0,0|2,0,1]=4 658 B6R0.9 [13CH3]O[C@@H](CF)CCl 34a_100015614560_200025704644 [0,1,0,0,0,0|2,0,1]=4 659 B6R0.9 [13CH3]O[C@@H](CF)CCl 7a_100015614560_200025704644 [0,1,0,0,0,0|2,0,1]=4 660 B6R0.9 [13CH3]SC(C=O)C=O 62a_100000736813_200025704644 [0,1,0,0,0,0|1,0,1]=3 661 B6R0.9 [13CH3]SC(C=O)C=O 62a_200025704644_100000736813 [0,1,0,0,0,0|1,0,1]=3 662 B6R1.2 CN1CCCC1 2230a_100000188435_200000210301 [0,0,0,1,0,0|2,0,1]=4 663 B6R1.2 CN1CCCC1 269982a_100000188435_200000210301 [0,0,0,1,0,0|2,0,1]=4 664 B6R1.2 CN1CCSC1 2230a_100011215254_200000210301 [0,0,0,1,0,0|1,1,1]=4 665 B6R1.2 CN1CCSC1 269982a_100011215254_200000210301 [0,0,0,1,0,0|1,1,1]=4 666 B6R1.2 [13CH3]N1CCCC1 2230a_100000188435_200025704644 [0,0,0,1,0,0|2,0,1]=4 667 B6R1.2 [13CH3]N1CCCC1 269982a_100000188435_200025704644 [0,0,0,1,0,0|2,0,1]=4 668 B6R1.2 [13CH3]N1CCSC1 2230a_100011215254_200025704644 [0,0,0,1,0,0|1,1,1]=4 669 B6R1.2 [13CH3]N1CCSC1 269982a_100011215254_200025704644 [0,0,0,1,0,0|1,1,1]=4 670 B6R1.4 CC1CCN1C 269982a_100000755817_200000210301 [0,0,0,1,0,0|2,0,0]=3 671 B6R1.4 CC1CCN1C 34a_100000755817_200000210301 [0,0,0,1,0,0|2,0,0]=3 672 B6R1.4 CC1CCN1[13CH3] 269982a_100000755817_200025704644 [0,0,0,1,0,0|2,0,0]=3 673 B6R1.4 CC1CCN1[13CH3] 34a_100000755817_200025704644 [0,0,0,1,0,0|2,0,0]=3 674 B6R1.6 CCN1CCC1 269982a_100000754969_100000204670 [0,0,0,1,0,0|2,0,1]=4 675 B6R1.6 CNC1CCC1 2230a_100000749019_200000210301 [0,0,0,1,0,0|2,0,0]=3 676 B6R1.6 CNC1CCC1 270004a_106832991635_100000241760 [0,0,0,1,0,0|2,0,0]=3 677 B6R1.6 CNC1CCC1 34a_100000749019_200000210301 [0,0,0,1,0,0|2,0,0]=3 678 B6R1.6 CNC1CCC1 34a_100102657272_100000749161 [0,0,0,1,0,0|2,0,0]=3 679 B6R1.6 CNC1COC1 2230a_100016991112_200000210301 [0,0,0,1,0,0|1,0,2]=4 680 B6R1.6 CNC1COC1 34a_100102657272_100009818527 [0,0,0,1,0,0|1,0,2]=4 681 B6R1.6 CNC1COC1 7a_106832991635_100009818527 [0,0,0,1,0,0|1,0,2]=4 682 B6R1.6 COC1CCC1 34a_100000748187_200000210301 [0,0,0,1,0,0|2,0,0]=3 683 B6R1.6 COC1CCC1 34a_100138415774_100000749161 [0,0,0,1,0,0|2,0,0]=3 684 B6R1.6 COC1COC1 34a_100138415774_100009818527 [0,0,0,1,0,0|1,0,2]=4 685 B6R1.6 COC1CSC1 7a_100000072292_200000210301 [0,0,0,1,0,0|1,1,1]=4 686 B6R1.6 CSC1CCC1 62a_200000210301_100000749161 [0,0,0,1,0,0|2,0,0]=3 687 B6R1.6 CSC1COC1 62a_200000210301_100009818527 [0,0,0,1,0,0|1,0,2]=4 688 B6R1.6 FCN1CCC1 269982a_100000754969_100015361967 [0,0,0,1,0,0|2,0,1]=4 689 B6R1.6 [13CH3]NC1CCC1 2230a_100000749019_200025704644 [0,0,0,1,0,0|2,0,0]=3 690 B6R1.6 [13CH3]NC1CCC1 34a_100000749019_200025704644 [0,0,0,1,0,0|2,0,0]=3 691 B6R1.6 [13CH3]NC1COC1 2230a_100016991112_200025704644 [0,0,0,1,0,0|1,0,2]=4 692 B6R1.6 [13CH3]OC1CCC1 34a_100000748187_200025704644 [0,0,0,1,0,0|2,0,0]=3 693 B6R1.6 [13CH3]OC1CSC1 7a_100000072292_200025704644 [0,0,0,1,0,0|1,1,1]=4 694 B6R1.6 [13CH3]SC1CCC1 62a_200025704644_100000749161 [0,0,0,1,0,0|2,0,0]=3 695 B6R1.6 [13CH3]SC1COC1 62a_200025704644_100009818527 [0,0,0,1,0,0|1,0,2]=4 696 B6R1.7 CC1(CC1)N[13CH3] 2230a_100000757604_200025704644 [0,0,0,1,0,0|2,0,0]=3 697 B6R1.7 CC1(CC1)O[13CH3] 7a_100011725673_200025704644 [0,0,0,1,0,0|2,0,0]=3 698 B6R1.7 CNC1(CC1)C 2230a_100000757604_200000210301 [0,0,0,1,0,0|2,0,0]=3 699 B6R1.7 COC1(CC1)C 7a_100011725673_200000210301 [0,0,0,1,0,0|2,0,0]=3 700 B6R1.8 CN[C@@H]1C[C@@H]1F 2230a_100015190264_200000210301 [0,0,0,1,0,0|2,0,1]=4 701 B6R1.8 CN[C@@H]1C[C@H]1F 2230a_100025746932_200000210301 [0,0,0,1,0,0|2,0,1]=4 702 B6R1.8 CN[C@@H]1C[C@H]1F 34a_100025746932_200000210301 [0,0,0,1,0,0|2,0,1]=4 703 B6R1.8 [13CH3]N[C@@H]1C[C@@H]1F 2230a_100015190264_200025704644 [0,0,0,1,0,0|2,0,1]=4 704 B6R1.8 [13CH3]N[C@@H]1C[C@H]1F 2230a_100025746932_200025704644 [0,0,0,1,0,0|2,0,1]=4 705 B6R1.8 [13CH3]N[C@@H]1C[C@H]1F 34a_100025746932_200025704644 [0,0,0,1,0,0|2,0,1]=4 706 B3R0.1 CCNC 2230a_100015525214_200000210301 [2,0,0,0,0,0|1,0,0]=3 707 B3R0.1 CCNC 2230a_106832991635_100000210202 [2,0,0,0,0,0|1,0,0]=3 708 B3R0.1 CCNC 34a_100102657272_100000210202 [2,0,0,0,0,0|1,0,0]=3 709 B3R0.1 CCNC 7a_106832991635_100000210202 [2,0,0,0,0,0|1,0,0]=3 710 B3R0.1 CCN[13CH3] 2230a_100015525214_200025704644 [2,0,0,0,0,0|1,0,0]=3 711 B3R0.1 CCOC 34a_100121572206_200000210301 [2,0,0,0,0,0|1,0,0]=3 712 B3R0.1 CCOC 34a_100138415774_100000210202 [2,0,0,0,0,0|1,0,0]=3 713 B3R0.1 CCO[13CH3] 34a_100121572206_200025704644 [2,0,0,0,0,0|1,0,0]=3 714 B3R0.1 CCSC 62a_100000210202_200000210301 [2,0,0,0,0,0|1,0,0]=3 715 B3R0.1 CCSC 62a_200000210301_100000210202 [2,0,0,0,0,0|1,0,0]=3 716 B3R0.1 CCS[13CH3] 62a_100000210202_200025704644 [2,0,0,0,0,0|1,0,0]=3 717 B3R0.1 CCS[13CH3] 62a_200025704644_100000210202 [2,0,0,0,0,0|1,0,0]=3 718 B3R0.1 CNCF 34a_100102657272_100015361967 [2,0,0,0,0,0|2,0,0]=4 719 B3R0.1 CNCF 7a_106832991635_100015361967 [2,0,0,0,0,0|2,0,0]=4 720 B3R0.1 COCF 34a_100138415774_100015361967 [2,0,0,0,0,0|2,0,0]=4 721 B3R0.1 CSCF 62a_100015361967_200000210301 [2,0,0,0,0,0|2,0,0]=4 722 B3R0.1 CSCF 62a_200000210301_100015361967 [2,0,0,0,0,0|2,0,0]=4 723 B3R0.1 [13CH3]SCF 62a_100015361967_200025704644 [2,0,0,0,0,0|2,0,0]=4 724 B3R0.1 [13CH3]SCF 62a_200025704644_100015361967 [2,0,0,0,0,0|2,0,0]=4 725 B3R0.2 CC(=O)C 1458a_100000070787_200000210301 [2,0,0,0,0,0|0,0,1]=3 726 B3R0.2 CC(=O)[13CH3] 1458a_100000070787_200025704644 [2,0,0,0,0,0|0,0,1]=3 727 B3R0.2 CN(C)C 2230a_100102631434_200000210301 [2,0,0,0,0,0|1,0,1]=4 728 B3R0.2 CN(C)C 269982a_100102631434_200000210301 [2,0,0,0,0,0|1,0,1]=4 729 B3R0.2 CN(C)[13CH3] 2230a_100102631434_200025704644 [2,0,0,0,0,0|1,0,1]=4 730 B3R0.2 CN(C)[13CH3] 269982a_100102631434_200025704644 [2,0,0,0,0,0|1,0,1]=4 731 B5R0.1 C#CCC(=O)C 1458a_100000070787_100000184674 [1,1,0,0,0,0|0,0,2]=4 732 B5R0.1 C#CCC(=O)C 1458a_100011220946_200000210301 [1,1,0,0,0,0|0,0,2]=4 733 B5R0.1 C#CCC(=O)[13CH3] 1458a_100011220946_200025704644 [1,1,0,0,0,0|0,0,2]=4 734 B5R0.1 C=C(C)CNC 2230a_106832991635_100000748629 [1,1,0,0,0,0|0,0,1]=3 735 B5R0.1 C=C(C)CNC 34a_100102657272_100000748629 [1,1,0,0,0,0|0,0,1]=3 736 B5R0.1 C=C(C)CNC 7a_106832991635_100000748629 [1,1,0,0,0,0|0,0,1]=3 737 B5R0.1 C=C(C)COC 34a_100000210245_200000210301 [1,1,0,0,0,0|0,0,1]=3 738 B5R0.1 C=C(C)COC 34a_100138415774_100000748629 [1,1,0,0,0,0|0,0,1]=3 739 B5R0.1 C=C(C)CO[13CH3] 34a_100000210245_200025704644 [1,1,0,0,0,0|0,0,1]=3 740 B5R0.1 C=C(C)CSC 62a_100000748629_200000210301 [1,1,0,0,0,0|0,0,1]=3 741 B5R0.1 C=C(C)CSC 62a_200000210301_100000211660 [1,1,0,0,0,0|0,0,1]=3 742 B5R0.1 C=C(C)CS[13CH3] 62a_100000748629_200025704644 [1,1,0,0,0,0|0,0,1]=3 743 B5R0.1 C=C(C)CS[13CH3] 62a_200025704644_100000211660 [1,1,0,0,0,0|0,0,1]=3 744 B5R0.1 C=C(F)CNC 2230a_106832991635_100009893438 [1,1,0,0,0,0|1,0,1]=4 745 B5R0.1 C=C(F)CNC 34a_100102657272_100009893438 [1,1,0,0,0,0|1,0,1]=4 746 B5R0.1 C=C(F)CNC 7a_106832991635_100000042424 [1,1,0,0,0,0|1,0,1]=4 747 B5R0.1 C=C(F)COC 34a_100138415774_100009893438 [1,1,0,0,0,0|1,0,1]=4 748 B5R0.1 C=C(F)COC 34a_200010262243_200000210301 [1,1,0,0,0,0|1,0,1]=4 749 B5R0.1 C=C(F)CO[13CH3] 34a_200010262243_200025704644 [1,1,0,0,0,0|1,0,1]=4 750 B5R0.1 C=C(F)CSC 62a_100000042424_200000210301 [1,1,0,0,0,0|1,0,1]=4 751 B5R0.1 C=C(F)CSC 62a_200000210301_100000042424 [1,1,0,0,0,0|1,0,1]=4 752 B5R0.1 C=C(F)CS[13CH3] 62a_100000042424_200025704644 [1,1,0,0,0,0|1,0,1]=4 753 B5R0.1 C=C(F)CS[13CH3] 62a_200025704644_100000042424 [1,1,0,0,0,0|1,0,1]=4 754 B5R0.1 C=CCC(=O)C 1458a_100000070787_100000210623 [1,1,0,0,0,0|0,0,2]=4 755 B5R0.1 C=CCC(=O)C 1458a_100000210193_200000210301 [1,1,0,0,0,0|0,0,2]=4 756 B5R0.1 C=CCC(=O)[13CH3] 1458a_100000210193_200025704644 [1,1,0,0,0,0|0,0,2]=4 757 B5R0.1 C=CCN(C)C 2230a_100000225617_200000210301 [1,1,0,0,0,0|2,0,0]=4 758 B5R0.1 C=CCN(C)C 2230a_100102631434_100000210623 [1,1,0,0,0,0|2,0,0]=4 759 B5R0.1 C=CCN(C)C 269982a_100000225617_200000210301 [1,1,0,0,0,0|2,0,0]=4 760 B5R0.1 C=CCN(C)C 269982a_100102631434_100000210623 [1,1,0,0,0,0|2,0,0]=4 761 B5R0.1 C=CCN(C)[13CH3] 2230a_100000225617_200025704644 [1,1,0,0,0,0|2,0,0]=4 762 B5R0.1 C=CCN(C)[13CH3] 269982a_100000225617_200025704644 [1,1,0,0,0,0|2,0,0]=4 763 B5R0.1 CC#CC(=O)C 1458a_100000763181_200000210301 [1,1,0,0,0,0|0,0,2]=4 764 B5R0.1 CC#CC(=O)[13CH3] 1458a_100000763181_200025704644 [1,1,0,0,0,0|0,0,2]=4 765 B5R0.1 CC(=O)CC#N 1458a_100000070787_100011214920 [1,1,0,0,0,0|0,0,2]=4 766 B5R0.1 CC(=O)CC#N 1458a_100051588842_200000210301 [1,1,0,0,0,0|0,0,2]=4 767 B5R0.1 CC(=O)CCF 1458a_100000070787_100011217306 [1,1,0,0,0,0|0,0,1]=3 768 B5R0.1 CC(=O)CCO 1458a_100000070787_100000211926 [1,1,0,0,0,0|0,0,1]=3 769 B5R0.1 CC(=O)CCO 1458a_100011216618_200000210301 [1,1,0,0,0,0|0,0,1]=3 770 B5R0.1 CC(=O)CO[13CH3] 34a_100000211253_200025704644 [1,1,0,0,0,0|0,0,1]=3 771 B5R0.1 CC(Br)CO[13CH3] 34a_100012180447_200025704644 [1,1,0,0,0,0|1,0,0]=3 772 B5R0.1 CC(C)CN[13CH3] 2230a_100000210953_200025704644 [1,1,0,0,0,0|0,0,1]=3 773 B5R0.1 CC(C)CN[13CH3] 34a_100000210953_200025704644 [1,1,0,0,0,0|0,0,1]=3 774 B5R0.1 CC(C)CO[13CH3] 34a_100000210257_200025704644 [1,1,0,0,0,0|0,0,1]=3 775 B5R0.1 CC(C)CS[13CH3] 62a_100000210624_200025704644 [1,1,0,0,0,0|0,0,1]=3 776 B5R0.1 CC(C)CS[13CH3] 62a_200025704644_100000210760 [1,1,0,0,0,0|0,0,1]=3 777 B5R0.1 CC(C)NCF 34a_100138425928_100015361967 [1,1,0,0,0,0|1,0,1]=4 778 B5R0.1 CC(C)OCF 34a_100000212225_100015361967 [1,1,0,0,0,0|1,0,1]=4 779 B5R0.1 CC(C)SCF 62a_100000210206_100015361967 [1,1,0,0,0,0|1,0,1]=4 780 B5R0.1 CC(C)SCF 62a_100015361967_100000210206 [1,1,0,0,0,0|1,0,1]=4 781 B5R0.1 CC(F)CO[13CH3] 34a_100015925927_200025704644 [1,1,0,0,0,0|1,0,0]=3 782 B5R0.1 CC(O)CN[13CH3] 2230a_100000210904_200025704644 [1,1,0,0,0,0|0,0,1]=3 783 B5R0.1 CC(O)CN[13CH3] 34a_100000210904_200025704644 [1,1,0,0,0,0|0,0,1]=3 784 B5R0.1 CC(O)CS[13CH3] 62a_100011218427_200025704644 [1,1,0,0,0,0|0,0,1]=3 785 B5R0.1 CC(O)CS[13CH3] 62a_200025704644_100011218427 [1,1,0,0,0,0|0,0,1]=3 786 B5R0.1 CC=CC(=O)C 1458a_100000210699_200000210301 [1,1,0,0,0,0|0,0,2]=4 787 B5R0.1 CC=CC(=O)[13CH3] 1458a_100000210699_200025704644 [1,1,0,0,0,0|0,0,2]=4 788 B5R0.1 CCCC(=O)C 1458a_100000070787_100000210303 [1,1,0,0,0,0|0,0,1]=3 789 B5R0.1 CCCC(=O)C 1458a_100000211992_200000210301 [1,1,0,0,0,0|0,0,1]=3 790 B5R0.1 CCCC(=O)[13CH3] 1458a_100000211992_200025704644 [1,1,0,0,0,0|0,0,1]=3 791 B5R0.1 CCCN(C)C 2230a_100000747261_200000210301 [1,1,0,0,0,0|1,0,1]=4 792 B5R0.1 CCCN(C)C 2230a_100102631434_100000210303 [1,1,0,0,0,0|1,0,1]=4 793 B5R0.1 CCCN(C)C 269982a_100000747261_200000210301 [1,1,0,0,0,0|1,0,1]=4 794 B5R0.1 CCCN(C)C 269982a_100102631434_100000210303 [1,1,0,0,0,0|1,0,1]=4 795 B5R0.1 CCCN(C)[13CH3] 2230a_100000747261_200025704644 [1,1,0,0,0,0|1,0,1]=4 796 B5R0.1 CCCN(C)[13CH3] 269982a_100000747261_200025704644 [1,1,0,0,0,0|1,0,1]=4 797 B5R0.1 CCNC(=O)C 11a_100015525214_100015343762 [1,1,0,0,0,0|0,0,1]=3 798 B5R0.1 CCNC(=O)C 240690a_100015525214_100015343762 [1,1,0,0,0,0|0,0,1]=3 799 B5R0.1 CCNC(=O)C 527a_100015525214_100103153847 [1,1,0,0,0,0|0,0,1]=3 800 B5R0.1 CCNC(C)C 2230a_100015525214_100000210206 [1,1,0,0,0,0|0,0,1]=3 801 B5R0.1 CCNC(C)C 2230a_100138425928_100000210202 [1,1,0,0,0,0|0,0,1]=3 802 B5R0.1 CCNC(C)C 34a_100138425928_100000210202 [1,1,0,0,0,0|0,0,1]=3 803 B5R0.1 CCOC(C)C 34a_100000212225_100000210202 [1,1,0,0,0,0|0,0,1]=3 804 B5R0.1 CCOC(C)C 34a_100121572206_100000210206 [1,1,0,0,0,0|0,0,1]=3 805 B5R0.1 CCSC(C)C 62a_100000210202_100000210206 [1,1,0,0,0,0|0,0,1]=3 806 B5R0.1 CCSC(C)C 62a_100000210206_100000210202 [1,1,0,0,0,0|0,0,1]=3 807 B5R0.1 CN(C)CC=O 2230a_100102631434_200015260668 [1,1,0,0,0,0|1,0,0]=3 808 B5R0.1 CN(C)CC=O 269982a_100102631434_200015260668 [1,1,0,0,0,0|1,0,0]=3 809 B5R0.1 CN(C)CCF 2230a_100102631434_100011217306 [1,1,0,0,0,0|1,0,1]=4 810 B5R0.1 CN(C)CCF 269982a_100102631434_100011217306 [1,1,0,0,0,0|1,0,1]=4 811 B5R0.1 CN(C)CCO 2230a_100000210263_200000210301 [1,1,0,0,0,0|1,0,1]=4 812 B5R0.1 CN(C)CCO 2230a_100102631434_100000211926 [1,1,0,0,0,0|1,0,1]=4 813 B5R0.1 CN(C)CCO 269982a_100000210263_200000210301 [1,1,0,0,0,0|1,0,1]=4 814 B5R0.1 CN(C)CCO 269982a_100102631434_100000211926 [1,1,0,0,0,0|1,0,1]=4 815 B5R0.1 CN([13CH3])CCO 2230a_100000210263_200025704644 [1,1,0,0,0,0|1,0,1]=4 816 B5R0.1 CN([13CH3])CCO 269982a_100000210263_200025704644 [1,1,0,0,0,0|1,0,1]=4 817 B5R0.1 CNCC(=O)N 2230a_100000711301_200000210301 [1,1,0,0,0,0|1,0,1]=4 818 B5R0.1 CNCC(=O)N 2230a_106832991635_100000747473 [1,1,0,0,0,0|1,0,1]=4 819 B5R0.1 CNCC(=O)N 34a_100102657272_100000187820 [1,1,0,0,0,0|1,0,1]=4 820 B5R0.1 CNCC(=O)N 7a_106832991635_100000187820 [1,1,0,0,0,0|1,0,1]=4 821 B5R0.1 CNCC(=O)O 269956a_100016091260_200000210301 [1,1,0,0,0,0|1,0,1]=4 822 B5R0.1 CNCC(=O)[O-] 34a_100102657272_100020667443 [1,1,0,0,0,0|1,0,1]=4 823 B5R0.1 CNCC(C)C 2230a_100000210953_200000210301 [1,1,0,0,0,0|0,0,1]=3 824 B5R0.1 CNCC(C)C 2230a_106832991635_100000210760 [1,1,0,0,0,0|0,0,1]=3 825 B5R0.1 CNCC(C)C 270004a_106832991635_100000210432 [1,1,0,0,0,0|0,0,1]=3 826 B5R0.1 CNCC(C)C 34a_100000210953_200000210301 [1,1,0,0,0,0|0,0,1]=3 827 B5R0.1 CNCC(C)C 34a_100102657272_100000210624 [1,1,0,0,0,0|0,0,1]=3 828 B5R0.1 CNCC(C)C 7a_106832991635_100000210760 [1,1,0,0,0,0|0,0,1]=3 829 B5R0.1 CNCC(C)O 2230a_100000210904_200000210301 [1,1,0,0,0,0|0,0,1]=3 830 B5R0.1 CNCC(C)O 2230a_106832991635_100011218427 [1,1,0,0,0,0|0,0,1]=3 831 B5R0.1 CNCC(C)O 34a_100000210904_200000210301 [1,1,0,0,0,0|0,0,1]=3 832 B5R0.1 CNCC(C)O 34a_100102657272_100011218427 [1,1,0,0,0,0|0,0,1]=3 833 B5R0.1 CNCC(C)O 7a_106832991635_100011218427 [1,1,0,0,0,0|0,0,1]=3 834 B5R0.1 CNCC(F)F 2230a_106832991635_100011934356 [1,1,0,0,0,0|2,0,0]=4 835 B5R0.1 CNCC(F)F 34a_100000765723_200000210301 [1,1,0,0,0,0|2,0,0]=4 836 B5R0.1 CNCC(F)F 34a_100102657272_100011934356 [1,1,0,0,0,0|2,0,0]=4 837 B5R0.1 CNCC(F)F 7a_106832991635_100011934356 [1,1,0,0,0,0|2,0,0]=4 838 B5R0.1 CNC[C@@H](C)O 2230a_106832991635_100009817552 [1,1,0,0,0,0|0,0,1]=3 839 B5R0.1 CNC[C@@H](C)O 34a_100102657272_100009817552 [1,1,0,0,0,0|0,0,1]=3 840 B5R0.1 CNC[C@@H](C)O 7a_106832991635_100009817552 [1,1,0,0,0,0|0,0,1]=3 841 B5R0.1 CNC[N+](=O)[O-] 34a_100102657272_100000761209 [1,1,0,0,0,0|2,0,0]=4 842 B5R0.1 CNNC(=O)C 22a_100016993582_100000070787 [1,1,0,0,0,0|1,0,1]=4 843 B5R0.1 COCC(=O)C 1458a_100000210968_200000210301 [1,1,0,0,0,0|0,0,1]=3 844 B5R0.1 COCC(=O)C 34a_100000211253_200000210301 [1,1,0,0,0,0|0,0,1]=3 845 B5R0.1 COCC(=O)N 34a_100138415774_100000187820 [1,1,0,0,0,0|1,0,1]=4 846 B5R0.1 COCC(=O)[13CH3] 1458a_100000210968_200025704644 [1,1,0,0,0,0|0,0,1]=3 847 B5R0.1 COCC(=O)[O-] 34a_100138415774_100020667443 [1,1,0,0,0,0|1,0,1]=4 848 B5R0.1 COCC(C)Br 34a_100012180447_200000210301 [1,1,0,0,0,0|1,0,0]=3 849 B5R0.1 COCC(C)C 34a_100000210257_200000210301 [1,1,0,0,0,0|0,0,1]=3 850 B5R0.1 COCC(C)C 34a_100138415774_100000210624 [1,1,0,0,0,0|0,0,1]=3 851 B5R0.1 COCC(C)F 34a_100015925927_200000210301 [1,1,0,0,0,0|1,0,0]=3 852 B5R0.1 COCC(C)O 34a_100138415774_100011218427 [1,1,0,0,0,0|0,0,1]=3 853 B5R0.1 COCC(F)F 34a_100000743014_200000210301 [1,1,0,0,0,0|2,0,0]=4 854 B5R0.1 COCC(F)F 34a_100138415774_100011934356 [1,1,0,0,0,0|2,0,0]=4 855 B5R0.1 COCN(C)C 2230a_100102631434_100000766300 [1,1,0,0,0,0|1,0,1]=4 856 B5R0.1 COCN(C)C 269982a_100102631434_100000766300 [1,1,0,0,0,0|1,0,1]=4 857 B5R0.1 COC[C@@H](C)Cl 34a_100016084084_200000210301 [1,1,0,0,0,0|1,0,0]=3 858 B5R0.1 COC[C@@H](C)N 34a_100000737577_200000210301 [1,1,0,0,0,0|1,0,0]=3 859 B5R0.1 COC[C@@H](C)O 34a_100138415774_100009817552 [1,1,0,0,0,0|0,0,1]=3 860 B5R0.1 COC[N+](=O)[O-] 34a_100138415774_100000761209 [1,1,0,0,0,0|2,0,0]=4 861 B5R0.1 CSCC(=O)C 1458a_100000184570_200000210301 [1,1,0,0,0,0|0,0,1]=3 862 B5R0.1 CSCC(=O)N 62a_100000747473_200000210301 [1,1,0,0,0,0|1,0,1]=4 863 B5R0.1 CSCC(=O)N 62a_200000210301_100000747473 [1,1,0,0,0,0|1,0,1]=4 864 B5R0.1 CSCC(=O)[13CH3] 1458a_100000184570_200025704644 [1,1,0,0,0,0|0,0,1]=3 865 B5R0.1 CSCC(=O)[O-] 62a_100020667443_200000210301 [1,1,0,0,0,0|1,0,1]=4 866 B5R0.1 CSCC(=O)[O-] 62a_200000210301_100020667443 [1,1,0,0,0,0|1,0,1]=4 867 B5R0.1 CSCC(C)C 62a_100000210624_200000210301 [1,1,0,0,0,0|0,0,1]=3 868 B5R0.1 CSCC(C)C 62a_200000210301_100000210760 [1,1,0,0,0,0|0,0,1]=3 869 B5R0.1 CSCC(C)O 62a_100011218427_200000210301 [1,1,0,0,0,0|0,0,1]=3 870 B5R0.1 CSCC(C)O 62a_200000210301_100011218427 [1,1,0,0,0,0|0,0,1]=3 871 B5R0.1 CSCC(F)F 62a_100011934356_200000210301 [1,1,0,0,0,0|2,0,0]=4 872 B5R0.1 CSCC(F)F 62a_200000210301_100011934356 [1,1,0,0,0,0|2,0,0]=4 873 B5R0.1 CSCN(C)C 2230a_100102631434_100011218213 [1,1,0,0,0,0|1,0,1]=4 874 B5R0.1 CSCN(C)C 269982a_100102631434_100011218213 [1,1,0,0,0,0|1,0,1]=4 875 B5R0.1 CSC[C@@H](C)O 62a_100009817552_200000210301 [1,1,0,0,0,0|0,0,1]=3 876 B5R0.1 CSC[C@@H](C)O 62a_200000210301_100009817552 [1,1,0,0,0,0|0,0,1]=3 877 B5R0.1 CSC[N+](=O)[O-] 62a_200000210301_100000761209 [1,1,0,0,0,0|2,0,0]=4 878 B5R0.1 C[C@@H](Cl)CO[13CH3] 34a_100016084084_200025704644 [1,1,0,0,0,0|1,0,0]=3 879 B5R0.1 C[C@@H](N)CO[13CH3] 34a_100000737577_200025704644 [1,1,0,0,0,0|1,0,0]=3 880 B5R0.1 C[C@@H](O)CS[13CH3] 62a_100009817552_200025704644 [1,1,0,0,0,0|0,0,1]=3 881 B5R0.1 C[C@@H](O)CS[13CH3] 62a_200025704644_100009817552 [1,1,0,0,0,0|0,0,1]=3 882 B5R0.1 [13CH3]C(=O)CC#N 1458a_100051588842_200025704644 [1,1,0,0,0,0|0,0,2]=4 883 B5R0.1 [13CH3]C(=O)CCO 1458a_100011216618_200025704644 [1,1,0,0,0,0|0,0,1]=3 884 B5R0.1 [13CH3]NCC(=O)N 2230a_100000711301_200025704644 [1,1,0,0,0,0|1,0,1]=4 885 B5R0.1 [13CH3]NCC(=O)O 269956a_100016091260_200025704644 [1,1,0,0,0,0|1,0,1]=4 886 B5R0.1 [13CH3]NCC(F)F 34a_100000765723_200025704644 [1,1,0,0,0,0|2,0,0]=4 887 B5R0.1 [13CH3]OCC(F)F 34a_100000743014_200025704644 [1,1,0,0,0,0|2,0,0]=4 888 B5R0.1 [13CH3]SCC(=O)N 62a_100000747473_200025704644 [1,1,0,0,0,0|1,0,1]=4 889 B5R0.1 [13CH3]SCC(=O)N 62a_200025704644_100000747473 [1,1,0,0,0,0|1,0,1]=4 890 B5R0.1 [13CH3]SCC(=O)[O-] 62a_100020667443_200025704644 [1,1,0,0,0,0|1,0,1]=4 891 B5R0.1 [13CH3]SCC(=O)[O-] 62a_200025704644_100020667443 [1,1,0,0,0,0|1,0,1]=4 892 B5R0.1 [13CH3]SCC(F)F 62a_100011934356_200025704644 [1,1,0,0,0,0|2,0,0]=4 893 B5R0.1 [13CH3]SCC(F)F 62a_200025704644_100011934356 [1,1,0,0,0,0|2,0,0]=4 894 B5R0.1 [13CH3]SC[N+](=O)[O-] 62a_200025704644_100000761209 [1,1,0,0,0,0|2,0,0]=4 895 B5R0.4 CC(C)(C)N[13CH3] 2230a_100000715429_200025704644 [1,1,0,0,0,0|1,0,1]=4 896 B5R0.4 CC(C)(C)O[13CH3] 34a_100015890283_200025704644 [1,1,0,0,0,0|1,0,1]=4 897 B5R0.4 CC(C)(C)O[13CH3] 7a_100015890283_200025704644 [1,1,0,0,0,0|1,0,1]=4 898 B5R0.4 CC(C)(C)S[13CH3] 62a_100000211941_200025704644 [1,1,0,0,0,0|1,0,1]=4 899 B5R0.4 CC(C)(C)S[13CH3] 62a_200025704644_100000211941 [1,1,0,0,0,0|1,0,1]=4 900 B5R0.4 CNC(C)(C)C 2230a_100000715429_200000210301 [1,1,0,0,0,0|1,0,1]=4 901 B5R0.4 CNC(C)(C)C 34a_100102657272_100000210625 [1,1,0,0,0,0|1,0,1]=4 902 B5R0.4 CNS(=O)(=O)C 40a_100102657272_100000738038 [1,1,0,0,0,0|2,0,0]=4 903 B5R0.4 COC(C)(C)C 34a_100015890283_200000210301 [1,1,0,0,0,0|1,0,1]=4 904 B5R0.4 COC(C)(C)C 34a_100138415774_100000210625 [1,1,0,0,0,0|1,0,1]=4 905 B5R0.4 COC(C)(C)C 7a_100015890283_200000210301 [1,1,0,0,0,0|1,0,1]=4 906 B5R0.4 CSC(C)(C)C 62a_100000211941_200000210301 [1,1,0,0,0,0|1,0,1]=4 907 B5R0.4 CSC(C)(C)C 62a_200000210301_100000211941 [1,1,0,0,0,0|1,0,1]=4 908 B5R0.5 C=C(C)C(=O)C 1458a_100000185857_200000210301 [1,1,0,0,0,0|0,0,2]=4 909 B5R0.5 C=C(C)C(=O)[13CH3] 1458a_100000185857_200025704644 [1,1,0,0,0,0|0,0,2]=4 910 B5R0.5 CC(=O)C(C)C 1458a_100000070787_100000210206 [1,1,0,0,0,0|0,0,0]=2 911 B5R0.5 CC(=O)C(C)C 1458a_100000210198_200000210301 [1,1,0,0,0,0|0,0,0]=2 912 B5R0.5 CC(=O)C(C)F 1458a_100000062450_200000210301 [1,1,0,0,0,0|0,0,1]=3 913 B5R0.5 CC(=O)C(O)O 1458a_100000233687_200000210301 [1,1,0,0,0,0|1,0,1]=4 914 B5R0.5 CC(=O)N(C)C 11a_100102631434_100015343762 [1,1,0,0,0,0|1,0,0]=3 915 B5R0.5 CC(=O)N(C)C 1626a_100102631434_100015343762 [1,1,0,0,0,0|1,0,0]=3 916 B5R0.5 CC(=O)N(C)C 240690a_100102631434_100015343762 [1,1,0,0,0,0|1,0,0]=3 917 B5R0.5 CC(=O)N(C)C 527a_100102631434_100103153847 [1,1,0,0,0,0|1,0,0]=3 918 B5R0.5 CC(=O)[C@@H](C)O 1458a_100000717761_200000210301 [1,1,0,0,0,0|0,0,1]=3 919 B5R0.5 CC(=O)[C@H](C)O 1458a_217856618621_200000210301 [1,1,0,0,0,0|0,0,1]=3 920 B5R0.5 CC(C)C(=O)[13CH3] 1458a_100000210198_200025704644 [1,1,0,0,0,0|0,0,0]=2 921 B5R0.5 CC(C)N(C)C 2230a_100102631434_100000210206 [1,1,0,0,0,0|1,0,1]=4 922 B5R0.5 CC(C)N(C)C 269982a_100102631434_100000210206 [1,1,0,0,0,0|1,0,1]=4 923 B5R0.5 CC(C)N(C)C 269982a_200000211004_200000210301 [1,1,0,0,0,0|1,0,1]=4 924 B5R0.5 CC(C)N(C)[13CH3] 269982a_200000211004_200025704644 [1,1,0,0,0,0|1,0,1]=4 925 B5R0.5 CC(F)C(=O)[13CH3] 1458a_100000062450_200025704644 [1,1,0,0,0,0|0,0,1]=3 926 B5R0.5 C[C@@H](O)C(=O)[13CH3] 1458a_100000717761_200025704644 [1,1,0,0,0,0|0,0,1]=3 927 B5R0.5 C[C@H](O)C(=O)[13CH3] 1458a_217856618621_200025704644 [1,1,0,0,0,0|0,0,1]=3 928 B5R0.5 [13CH3]C(=O)C(O)O 1458a_100000233687_200025704644 [1,1,0,0,0,0|1,0,1]=4 929 B5R0.2 C#CCCNC 2230a_106832991635_100000688953 [1,1,0,0,0,0|1,0,1]=4 930 B5R0.2 C#CCCNC 34a_100000755551_200000210301 [1,1,0,0,0,0|1,0,1]=4 931 B5R0.2 C#CCCNC 34a_100102657272_100000688953 [1,1,0,0,0,0|1,0,1]=4 932 B5R0.2 C#CCCNC 7a_106832991635_100000688953 [1,1,0,0,0,0|1,0,1]=4 933 B5R0.2 C#CCCN[13CH3] 34a_100000755551_200025704644 [1,1,0,0,0,0|1,0,1]=4 934 B5R0.2 C#CCCOC 34a_100011215631_200000210301 [1,1,0,0,0,0|1,0,1]=4 935 B5R0.2 C#CCCOC 34a_100138415774_100000688953 [1,1,0,0,0,0|1,0,1]=4 936 B5R0.2 C#CCCO[13CH3] 34a_100011215631_200025704644 [1,1,0,0,0,0|1,0,1]=4 937 B5R0.2 C#CCCSC 62a_100000688953_200000210301 [1,1,0,0,0,0|1,0,1]=4 938 B5R0.2 C#CCCSC 62a_200000210301_100000688953 [1,1,0,0,0,0|1,0,1]=4 939 B5R0.2 C#CCCS[13CH3] 62a_100000688953_200025704644 [1,1,0,0,0,0|1,0,1]=4 940 B5R0.2 C#CCCS[13CH3] 62a_200025704644_100000688953 [1,1,0,0,0,0|1,0,1]=4 941 B5R0.2 C#CCNCC 2230a_100015525214_100000038162 [1,1,0,0,0,0|1,0,1]=4 942 B5R0.2 C#CCNCC 34a_100000212058_100000210202 [1,1,0,0,0,0|1,0,1]=4 943 B5R0.2 C#CCOCC 34a_100000210247_100000210202 [1,1,0,0,0,0|1,0,1]=4 944 B5R0.2 C#CCOCC 34a_100121572206_100000184674 [1,1,0,0,0,0|1,0,1]=4 945 B5R0.2 C#CCSCC 62a_100000038162_100000210202 [1,1,0,0,0,0|1,0,1]=4 946 B5R0.2 C/C=C/CNC 34a_100102657272_100102629194 [1,1,0,0,0,0|1,0,1]=4 947 B5R0.2 C/C=C/CNC 7a_106832991635_100102629194 [1,1,0,0,0,0|1,0,1]=4 948 B5R0.2 C/C=C/COC 34a_100016270725_200000210301 [1,1,0,0,0,0|1,0,1]=4 949 B5R0.2 C/C=C/COC 34a_100138415774_100102629194 [1,1,0,0,0,0|1,0,1]=4 950 B5R0.2 C/C=C/CO[13CH3] 34a_100016270725_200025704644 [1,1,0,0,0,0|1,0,1]=4 951 B5R0.2 C/C=C/CSC 62a_100102629194_200000210301 [1,1,0,0,0,0|1,0,1]=4 952 B5R0.2 C/C=C/CSC 62a_200000210301_100102629194 [1,1,0,0,0,0|1,0,1]=4 953 B5R0.2 C/C=C/CS[13CH3] 62a_100102629194_200025704644 [1,1,0,0,0,0|1,0,1]=4 954 B5R0.2 C/C=C/CS[13CH3] 62a_200025704644_100102629194 [1,1,0,0,0,0|1,0,1]=4 955 B5R0.2 C=CCCNC 2230a_100015191253_200000210301 [1,1,0,0,0,0|1,0,0]=3 956 B5R0.2 C=CCCNC 2230a_106832991635_100000754431 [1,1,0,0,0,0|1,0,0]=3 957 B5R0.2 C=CCCNC 34a_100102657272_100000754431 [1,1,0,0,0,0|1,0,0]=3 958 B5R0.2 C=CCCNC 7a_106832991635_100000754431 [1,1,0,0,0,0|1,0,0]=3 959 B5R0.2 C=CCCN[13CH3] 2230a_100015191253_200025704644 [1,1,0,0,0,0|1,0,0]=3 960 B5R0.2 C=CCCOC 34a_100011205117_200000210301 [1,1,0,0,0,0|1,0,0]=3 961 B5R0.2 C=CCCOC 34a_100138415774_100000754431 [1,1,0,0,0,0|1,0,0]=3 962 B5R0.2 C=CCCO[13CH3] 34a_100011205117_200025704644 [1,1,0,0,0,0|1,0,0]=3 963 B5R0.2 C=CCCSC 62a_100000754431_200000210301 [1,1,0,0,0,0|1,0,0]=3 964 B5R0.2 C=CCCSC 62a_200000210301_100000754431 [1,1,0,0,0,0|1,0,0]=3 965 B5R0.2 C=CCCS[13CH3] 62a_100000754431_200025704644 [1,1,0,0,0,0|1,0,0]=3 966 B5R0.2 C=CCCS[13CH3] 62a_200025704644_100000754431 [1,1,0,0,0,0|1,0,0]=3 967 B5R0.2 C=CCNCC 2230a_100015525214_100000210623 [1,1,0,0,0,0|1,0,0]=3 968 B5R0.2 C=CCNCC 2230a_100020586998_100000210202 [1,1,0,0,0,0|1,0,0]=3 969 B5R0.2 C=CCOCC 34a_100121572206_100015514636 [1,1,0,0,0,0|1,0,0]=3 970 B5R0.2 C=CCOCC 34a_200000210373_100000210202 [1,1,0,0,0,0|1,0,0]=3 971 B5R0.2 C=CCOCF 34a_200000210373_100015361967 [1,1,0,0,0,0|2,0,0]=4 972 B5R0.2 C=CCSCC 62a_100000210202_100000210623 [1,1,0,0,0,0|1,0,0]=3 973 B5R0.2 C=CCSCC 62a_100000210623_100000210202 [1,1,0,0,0,0|1,0,0]=3 974 B5R0.2 C=CCSCF 62a_100000210623_100015361967 [1,1,0,0,0,0|2,0,0]=4 975 B5R0.2 C=CCSCF 62a_100015361967_100000210623 [1,1,0,0,0,0|2,0,0]=4 976 B5R0.2 CC=CCNC 2230a_106832991635_100000070051 [1,1,0,0,0,0|1,0,1]=4 977 B5R0.2 CC=CCNC 34a_100102657272_100000070051 [1,1,0,0,0,0|1,0,1]=4 978 B5R0.2 CC=CCNC 7a_106832991635_100000070051 [1,1,0,0,0,0|1,0,1]=4 979 B5R0.2 CC=CCOC 34a_100138415774_100000070051 [1,1,0,0,0,0|1,0,1]=4 980 B5R0.2 CC=CCSC 62a_100000070051_200000210301 [1,1,0,0,0,0|1,0,1]=4 981 B5R0.2 CC=CCSC 62a_200000210301_100000070051 [1,1,0,0,0,0|1,0,1]=4 982 B5R0.2 CC=CCS[13CH3] 62a_100000070051_200025704644 [1,1,0,0,0,0|1,0,1]=4 983 B5R0.2 CC=CCS[13CH3] 62a_200025704644_100000070051 [1,1,0,0,0,0|1,0,1]=4 984 B5R0.2 CC=NNCC 4a_100000756455_200000210099 [1,1,0,0,0,0|2,0,0]=4 985 B5R0.2 CCCCNC 2230a_100000102301_200000210301 [1,1,0,0,0,0|1,0,1]=4 986 B5R0.2 CCCCNC 2230a_106832991635_100000210211 [1,1,0,0,0,0|1,0,1]=4 987 B5R0.2 CCCCNC 34a_100102657272_100000210210 [1,1,0,0,0,0|1,0,1]=4 988 B5R0.2 CCCCNC 7a_106832991635_100000210211 [1,1,0,0,0,0|1,0,1]=4 989 B5R0.2 CCCCNC 7a_106832991798_200000210301 [1,1,0,0,0,0|1,0,1]=4 990 B5R0.2 CCCCN[13CH3] 2230a_100000102301_200025704644 [1,1,0,0,0,0|1,0,1]=4 991 B5R0.2 CCCCN[13CH3] 7a_106832991798_200025704644 [1,1,0,0,0,0|1,0,1]=4 992 B5R0.2 CCCCOC 34a_100000210227_200000210301 [1,1,0,0,0,0|0,0,2]=4 993 B5R0.2 CCCCOC 34a_100138415774_100000210210 [1,1,0,0,0,0|0,0,2]=4 994 B5R0.2 CCCCOC 7a_100000210227_200000210301 [1,1,0,0,0,0|0,0,2]=4 995 B5R0.2 CCCCO[13CH3] 34a_100000210227_200025704644 [1,1,0,0,0,0|0,0,2]=4 996 B5R0.2 CCCCO[13CH3] 7a_100000210227_200025704644 [1,1,0,0,0,0|0,0,2]=4 997 B5R0.2 CCCCSC 62a_100000210211_200000210301 [1,1,0,0,0,0|0,1,1]=4 998 B5R0.2 CCCCSC 62a_200000210301_100000210210 [1,1,0,0,0,0|0,1,1]=4 999 B5R0.2 CCCCS[13CH3] 62a_100000210211_200025704644 [1,1,0,0,0,0|0,1,1]=4 1000 B5R0.2 CCCCS[13CH3] 62a_200025704644_100000210210 [1,1,0,0,0,0|0,1,1]=4 1001 B5R0.2 CCCNCC 2230a_100015525214_100000210303 [1,1,0,0,0,0|1,0,1]=4 1002 B5R0.2 CCCOCC 34a_100000210258_100000210202 [1,1,0,0,0,0|1,0,1]=4 1003 B5R0.2 CCCOCC 34a_100121572206_100000210303 [1,1,0,0,0,0|1,0,1]=4 1004 B5R0.2 CCCOCF 34a_100000210258_100015361967 [1,1,0,0,0,0|1,0,1]=4 1005 B5R0.2 CCCSCC 62a_100000210202_100000210303 [1,1,0,0,0,0|1,0,1]=4 1006 B5R0.2 CCCSCC 62a_100000210303_100000210202 [1,1,0,0,0,0|1,0,1]=4 1007 B5R0.2 CCCSCF 62a_100000210303_100015361967 [1,1,0,0,0,0|1,0,1]=4 1008 B5R0.2 CCCSCF 62a_100015361967_100000210303 [1,1,0,0,0,0|1,0,1]=4 1009 B5R0.2 CCNCC#N 2230a_100015525214_100011215382 [1,1,0,0,0,0|1,0,1]=4 1010 B5R0.2 CCNCC=O 2230a_100015525214_200015260668 [1,1,0,0,0,0|0,0,0]=2 1011 B5R0.2 CCNCCF 2230a_100015525214_100011217306 [1,1,0,0,0,0|1,0,1]=4 1012 B5R0.2 CCNCCF 34a_100000724931_100000210202 [1,1,0,0,0,0|1,0,1]=4 1013 B5R0.2 CCNCCO 2230a_100015525214_100000211926 [1,1,0,0,0,0|0,0,2]=4 1014 B5R0.2 CCNCCO 2230a_100016997473_100000210202 [1,1,0,0,0,0|0,0,2]=4 1015 B5R0.2 CCNCCO 34a_100016990907_100000210202 [1,1,0,0,0,0|0,0,2]=4 1016 B5R0.2 CCNCOC 2230a_100015525214_100000766300 [1,1,0,0,0,0|2,0,0]=4 1017 B5R0.2 CCNCSC 2230a_100015525214_100011218213 [1,1,0,0,0,0|2,0,0]=4 1018 B5R0.2 CCOCC=O 34a_100121572206_200009817547 [1,1,0,0,0,0|0,0,0]=2 1019 B5R0.2 CCOCCBr 34a_100000211926_100000210202 [1,1,0,0,0,0|1,0,1]=4 1020 B5R0.2 CCOCCF 34a_100121572206_100011217306 [1,1,0,0,0,0|1,0,1]=4 1021 B5R0.2 CCOCCN 34a_100000210304_100000210202 [1,1,0,0,0,0|1,0,1]=4 1022 B5R0.2 CCOCCO 34a_100121572206_100000211926 [1,1,0,0,0,0|0,0,2]=4 1023 B5R0.2 CCOCSC 34a_100121572206_100011218213 [1,1,0,0,0,0|2,0,0]=4 1024 B5R0.2 CCOCSC 62a_100000739092_200000210301 [1,1,0,0,0,0|2,0,0]=4 1025 B5R0.2 CCOCSC 62a_200000210301_100000739092 [1,1,0,0,0,0|2,0,0]=4 1026 B5R0.2 CCOCS[13CH3] 62a_100000739092_200025704644 [1,1,0,0,0,0|2,0,0]=4 1027 B5R0.2 CCOCS[13CH3] 62a_200025704644_100000739092 [1,1,0,0,0,0|2,0,0]=4 1028 B5R0.2 CCSCC#N 62a_100000210202_100011215382 [1,1,0,0,0,0|1,0,1]=4 1029 B5R0.2 CCSCC#N 62a_100011215382_100000210202 [1,1,0,0,0,0|1,0,1]=4 1030 B5R0.2 CCSCC=O 62a_100000210202_200015260668 [1,1,0,0,0,0|0,0,0]=2 1031 B5R0.2 CCSCC=O 62a_200015260668_100000210202 [1,1,0,0,0,0|0,0,0]=2 1032 B5R0.2 CCSCCF 62a_100000210202_100011217306 [1,1,0,0,0,0|1,0,1]=4 1033 B5R0.2 CCSCCF 62a_100011217306_100000210202 [1,1,0,0,0,0|1,0,1]=4 1034 B5R0.2 CCSCCO 62a_100000210202_100000211926 [1,1,0,0,0,0|0,0,2]=4 1035 B5R0.2 CCSCCO 62a_100000211926_100000210202 [1,1,0,0,0,0|0,0,2]=4 1036 B5R0.2 CCSCOC 62a_100000210202_100000766300 [1,1,0,0,0,0|2,0,0]=4 1037 B5R0.2 CCSCOC 62a_100000766300_100000210202 [1,1,0,0,0,0|2,0,0]=4 1038 B5R0.2 CCSCSC 62a_100000210202_100011218213 [1,1,0,0,0,0|2,0,0]=4 1039 B5R0.2 CCSCSC 62a_100011218213_100000210202 [1,1,0,0,0,0|2,0,0]=4 1040 B5R0.2 CNCCC#N 2230a_106832991635_100011215226 [1,1,0,0,0,0|1,0,1]=4 1041 B5R0.2 CNCCC#N 7a_106832991635_100000184422 [1,1,0,0,0,0|1,0,1]=4 1042 B5R0.2 CNCCCF 2230a_100015189416_200000210301 [1,1,0,0,0,0|1,0,1]=4 1043 B5R0.2 CNCCCF 2230a_106832991635_100011934791 [1,1,0,0,0,0|1,0,1]=4 1044 B5R0.2 CNCCCF 34a_100015189416_200000210301 [1,1,0,0,0,0|1,0,1]=4 1045 B5R0.2 CNCCCF 34a_100102657272_100011934791 [1,1,0,0,0,0|1,0,1]=4 1046 B5R0.2 CNCCCF 7a_106832991635_100011934791 [1,1,0,0,0,0|1,0,1]=4 1047 B5R0.2 CNCCCO 2230a_106832991635_100000230001 [1,1,0,0,0,0|0,0,2]=4 1048 B5R0.2 CNCCCO 34a_100102657272_100000230001 [1,1,0,0,0,0|0,0,2]=4 1049 B5R0.2 CNCCCO 7a_106832991635_100011215043 [1,1,0,0,0,0|0,0,2]=4 1050 B5R0.2 CNCCOC 2230a_100000209980_200000210301 [1,1,0,0,0,0|2,0,0]=4 1051 B5R0.2 CNCCOC 2230a_106832991635_100011201679 [1,1,0,0,0,0|2,0,0]=4 1052 B5R0.2 CNCCOC 34a_100102657272_100011201679 [1,1,0,0,0,0|2,0,0]=4 1053 B5R0.2 CNCCOC 7a_106832991635_100000233755 [1,1,0,0,0,0|2,0,0]=4 1054 B5R0.2 CNCCSC 2230a_100020590264_200000210301 [1,1,0,0,0,0|2,0,0]=4 1055 B5R0.2 CNCCSC 2230a_106832991635_100000751147 [1,1,0,0,0,0|2,0,0]=4 1056 B5R0.2 CNCCSC 34a_100102657272_100000212216 [1,1,0,0,0,0|2,0,0]=4 1057 B5R0.2 CNCCSC 7a_106832991635_100000212216 [1,1,0,0,0,0|2,0,0]=4 1058 B5R0.2 COCCCBr 34a_100011217188_200000210301 [1,1,0,0,0,0|1,0,1]=4 1059 B5R0.2 COCCCCl 34a_100000230001_200000210301 [1,1,0,0,0,0|1,0,1]=4 1060 B5R0.2 COCCCF 34a_100000759539_200000210301 [1,1,0,0,0,0|1,0,1]=4 1061 B5R0.2 COCCCF 34a_100138415774_100011934791 [1,1,0,0,0,0|1,0,1]=4 1062 B5R0.2 COCCCN 34a_100000182051_200000210301 [1,1,0,0,0,0|1,0,1]=4 1063 B5R0.2 COCCCO 34a_100138415774_100000230001 [1,1,0,0,0,0|0,0,2]=4 1064 B5R0.2 COCCN[13CH3] 2230a_100000209980_200025704644 [1,1,0,0,0,0|2,0,0]=4 1065 B5R0.2 COCCOC 34a_100000210237_200000210301 [1,1,0,0,0,0|2,0,0]=4 1066 B5R0.2 COCCOC 34a_100138415774_100011201679 [1,1,0,0,0,0|2,0,0]=4 1067 B5R0.2 COCCON 34a_100000700252_200000210301 [1,1,0,0,0,0|2,0,0]=4 1068 B5R0.2 COCCO[13CH3] 34a_100000210237_200025704644 [1,1,0,0,0,0|2,0,0]=4 1069 B5R0.2 COCCSC 34a_100000230434_200000210301 [1,1,0,0,0,0|2,0,0]=4 1070 B5R0.2 COCCSC 34a_100138415774_100000212216 [1,1,0,0,0,0|2,0,0]=4 1071 B5R0.2 COCCSC 62a_100000233755_200000210301 [1,1,0,0,0,0|2,0,0]=4 1072 B5R0.2 COCCSC 62a_200000210301_100000233755 [1,1,0,0,0,0|2,0,0]=4 1073 B5R0.2 COCCSC 7a_100000230434_200000210301 [1,1,0,0,0,0|2,0,0]=4 1074 B5R0.2 COCCS[13CH3] 62a_100000233755_200025704644 [1,1,0,0,0,0|2,0,0]=4 1075 B5R0.2 COCCS[13CH3] 62a_200025704644_100000233755 [1,1,0,0,0,0|2,0,0]=4 1076 B5R0.2 CSCCC#N 62a_100011215226_200000210301 [1,1,0,0,0,0|1,0,1]=4 1077 B5R0.2 CSCCC#N 62a_200000210301_100011215226 [1,1,0,0,0,0|1,0,1]=4 1078 B5R0.2 CSCCCF 62a_100011934791_200000210301 [1,1,0,0,0,0|1,0,1]=4 1079 B5R0.2 CSCCCF 62a_200000210301_100011934791 [1,1,0,0,0,0|1,0,1]=4 1080 B5R0.2 CSCCCO 62a_100011215043_200000210301 [1,1,0,0,0,0|0,0,2]=4 1081 B5R0.2 CSCCCO 62a_200000210301_100011215043 [1,1,0,0,0,0|0,0,2]=4 1082 B5R0.2 CSCCN[13CH3] 2230a_100020590264_200025704644 [1,1,0,0,0,0|2,0,0]=4 1083 B5R0.2 CSCCO[13CH3] 34a_100000230434_200025704644 [1,1,0,0,0,0|2,0,0]=4 1084 B5R0.2 CSCCO[13CH3] 7a_100000230434_200025704644 [1,1,0,0,0,0|2,0,0]=4 1085 B5R0.2 CSCCSC 62a_100000212216_200000210301 [1,1,0,0,0,0|2,0,0]=4 1086 B5R0.2 CSCCSC 62a_200000210301_100000751147 [1,1,0,0,0,0|2,0,0]=4 1087 B5R0.2 CSCCS[13CH3] 62a_100000212216_200025704644 [1,1,0,0,0,0|2,0,0]=4 1088 B5R0.2 CSCCS[13CH3] 62a_200025704644_100000751147 [1,1,0,0,0,0|2,0,0]=4 1089 B5R0.2 O=CCSCF 62a_100015361967_200015260668 [1,1,0,0,0,0|1,0,0]=3 1090 B5R0.2 O=CCSCF 62a_200015260668_100015361967 [1,1,0,0,0,0|1,0,0]=3 1091 B5R0.2 [13CH3]NCCCF 2230a_100015189416_200025704644 [1,1,0,0,0,0|1,0,1]=4 1092 B5R0.2 [13CH3]NCCCF 34a_100015189416_200025704644 [1,1,0,0,0,0|1,0,1]=4 1093 B5R0.2 [13CH3]OCCCBr 34a_100011217188_200025704644 [1,1,0,0,0,0|1,0,1]=4 1094 B5R0.2 [13CH3]OCCCCl 34a_100000230001_200025704644 [1,1,0,0,0,0|1,0,1]=4 1095 B5R0.2 [13CH3]OCCCF 34a_100000759539_200025704644 [1,1,0,0,0,0|1,0,1]=4 1096 B5R0.2 [13CH3]OCCCN 34a_100000182051_200025704644 [1,1,0,0,0,0|1,0,1]=4 1097 B5R0.2 [13CH3]OCCON 34a_100000700252_200025704644 [1,1,0,0,0,0|2,0,0]=4 1098 B5R0.2 [13CH3]SCCC#N 62a_100011215226_200025704644 [1,1,0,0,0,0|1,0,1]=4 1099 B5R0.2 [13CH3]SCCC#N 62a_200025704644_100011215226 [1,1,0,0,0,0|1,0,1]=4 1100 B5R0.2 [13CH3]SCCCF 62a_100011934791_200025704644 [1,1,0,0,0,0|1,0,1]=4 1101 B5R0.2 [13CH3]SCCCF 62a_200025704644_100011934791 [1,1,0,0,0,0|1,0,1]=4 1102 B5R0.2 [13CH3]SCCCO 62a_100011215043_200025704644 [1,1,0,0,0,0|0,0,2]=4 1103 B5R0.2 [13CH3]SCCCO 62a_200025704644_100011215043 [1,1,0,0,0,0|0,0,2]=4 1104 B7R0.2 C#CC(C)NC(=O)C 11a_100000707721_100015343762 [0,2,0,0,0,0|0,0,2]=4 1105 B7R0.2 C#CC(C)NC(=O)C 1626a_100000707721_100015343762 [0,2,0,0,0,0|0,0,2]=4 1106 B7R0.2 C#CC(C)NC(=O)C 240690a_100000707721_100015343762 [0,2,0,0,0,0|0,0,2]=4 1107 B7R0.2 C#CC(C)NC(=O)C 527a_100000707721_100103153847 [0,2,0,0,0,0|0,0,2]=4 1108 B7R0.2 C#CC(C)NC(C)C 2230a_100000707721_100000210206 [0,2,0,0,0,0|1,0,1]=4 1109 B7R0.2 C#CC(C)NC(C)C 34a_100000707721_100000210206 [0,2,0,0,0,0|1,0,1]=4 1110 B7R0.2 C#CC(C)NC(C)C 34a_100138425928_200000035995 [0,2,0,0,0,0|1,0,1]=4 1111 B7R0.2 C#CC(C)OC(C)C 34a_100000212225_200000035995 [0,2,0,0,0,0|1,0,1]=4 1112 B7R0.2 C#CC(C)SC(C)C 62a_200000035995_100000210206 [0,2,0,0,0,0|1,0,1]=4 1113 B7R0.2 C#C[C@@H](C)OC(C)C 34a_100009815206_100000210206 [0,2,0,0,0,0|1,0,1]=4 1114 B7R0.2 C#C[C@@H](C)OC(C)C 7a_100009815206_100000210206 [0,2,0,0,0,0|1,0,1]=4 1115 B7R0.2 C=C(C)CN(C)CC 2230a_100000211296_200000210301 [0,2,0,0,0,0|2,0,0]=4 1116 B7R0.2 C=C(C)CN(C)CC 2230a_100000225621_100000748629 [0,2,0,0,0,0|2,0,0]=4 1117 B7R0.2 C=C(C)CN(C)CC 2230a_100000225649_100000210202 [0,2,0,0,0,0|2,0,0]=4 1118 B7R0.2 C=C(C)CN(C)CC 269982a_100000211296_200000210301 [0,2,0,0,0,0|2,0,0]=4 1119 B7R0.2 C=C(C)CN(C)CC 269982a_100000225621_100000748629 [0,2,0,0,0,0|2,0,0]=4 1120 B7R0.2 C=C(C)CN(C)CC 269982a_100000225649_100000204670 [0,2,0,0,0,0|2,0,0]=4 1121 B7R0.2 C=C(C)CN([13CH3])CC 2230a_100000211296_200025704644 [0,2,0,0,0,0|2,0,0]=4 1122 B7R0.2 C=C(C)CN([13CH3])CC 269982a_100000211296_200025704644 [0,2,0,0,0,0|2,0,0]=4 1123 B7R0.2 C=C(F)CN(C)CC 2230a_100000225621_100009893438 [0,2,0,0,0,0|2,0,0]=4 1124 B7R0.2 C=C(F)CN(C)CC 269982a_100000225621_100009893438 [0,2,0,0,0,0|2,0,0]=4 1125 B7R0.2 C=CC(C)CC(=O)C 1458a_100011934298_200000210301 [0,2,0,0,0,0|1,0,0]=3 1126 B7R0.2 C=CC(C)CC(=O)[13CH3] 1458a_100011934298_200025704644 [0,2,0,0,0,0|1,0,0]=3 1127 B7R0.2 C=CC(C)OC(C)C 34a_100000695699_100000210206 [0,2,0,0,0,0|1,0,0]=3 1128 B7R0.2 C=CC(C)SC(C)C 62a_100011215867_100000210206 [0,2,0,0,0,0|1,0,0]=3 1129 B7R0.2 C=CC(O)CN(C)C 2230a_100102631434_100000730141 [0,2,0,0,0,0|2,0,0]=4 1130 B7R0.2 CC(=CC(C)O[13CH3])C 34a_100000717055_200025704644 [0,2,0,0,0,0|2,0,0]=4 1131 B7R0.2 CC(=O)C[C@@H](C)CO 1458a_100000070787_100000059175 [0,2,0,0,0,0|1,0,0]=3 1132 B7R0.2 CC(=O)NC(C)C#N 11a_100000737613_100015343762 [0,2,0,0,0,0|1,0,1]=4 1133 B7R0.2 CC(=O)NC(C)C#N 1626a_100000737613_100015343762 [0,2,0,0,0,0|1,0,1]=4 1134 B7R0.2 CC(=O)NC(C)C#N 527a_100000737613_100103153847 [0,2,0,0,0,0|1,0,1]=4 1135 B7R0.2 CC(=O)N[C@H](C)CF 11a_100102880703_100015343762 [0,2,0,0,0,0|1,0,0]=3 1136 B7R0.2 CC(=O)N[C@H](C)CF 1626a_100102880703_100015343762 [0,2,0,0,0,0|1,0,0]=3 1137 B7R0.2 CC(=O)N[C@H](C)CF 240690a_100102880703_100015343762 [0,2,0,0,0,0|1,0,0]=3 1138 B7R0.2 CC(=O)N[C@H](C)CF 527a_100102880703_100103153847 [0,2,0,0,0,0|1,0,0]=3 1139 B7R0.2 CC(=O)N[C@H](C)CO 240690a_100000737577_100015343762 [0,2,0,0,0,0|1,0,0]=3 1140 B7R0.2 CC(=O)N[C@H](C)CO 527a_100000737577_100103153847 [0,2,0,0,0,0|1,0,0]=3 1141 B7R0.2 CC(=O)OC(C)S[13CH3] 62a_100009818208_200025704644 [0,2,0,0,0,0|1,0,0]=3 1142 B7R0.2 CC(=O)OC(C)S[13CH3] 62a_200025704644_100009818208 [0,2,0,0,0,0|1,0,0]=3 1143 B7R0.2 CC(C)CC(C)N[13CH3] 2230a_100000692259_200025704644 [0,2,0,0,0,0|2,0,0]=4 1144 B7R0.2 CC(C)CC(C)O[13CH3] 34a_100000211805_200025704644 [0,2,0,0,0,0|2,0,0]=4 1145 B7R0.2 CC(C)CC(C)O[13CH3] 7a_100000211805_200025704644 [0,2,0,0,0,0|2,0,0]=4 1146 B7R0.2 CC(C)CC(C)S[13CH3] 62a_100000731052_200025704644 [0,2,0,0,0,0|2,0,0]=4 1147 B7R0.2 CC(C)CC(C)S[13CH3] 62a_200025704644_100000731052 [0,2,0,0,0,0|2,0,0]=4 1148 B7R0.2 CC(C)NC(C)C#N 2230a_100000737613_100000210206 [0,2,0,0,0,0|1,0,1]=4 1149 B7R0.2 CC(C)NC(C)C#N 2230a_100138425928_100000184139 [0,2,0,0,0,0|1,0,1]=4 1150 B7R0.2 CC(C)NC(C)CO 2230a_100138425928_100012180447 [0,2,0,0,0,0|0,0,2]=4 1151 B7R0.2 CC(C)NC(C)CO 34a_100138425928_100012180447 [0,2,0,0,0,0|0,0,2]=4 1152 B7R0.2 CC(C)N[C@H](C)CO 2230a_100000737577_100000210206 [0,2,0,0,0,0|0,0,2]=4 1153 B7R0.2 CC(C)OC(C)C#N 34a_100011218135_100000210206 [0,2,0,0,0,0|1,0,1]=4 1154 B7R0.2 CC(C)OC(C)CF 34a_100016041109_100000210206 [0,2,0,0,0,0|1,0,1]=4 1155 B7R0.2 CC(C)OC(C)CF 7a_100016041109_100000210206 [0,2,0,0,0,0|1,0,1]=4 1156 B7R0.2 CC(C)OC(C)CN 34a_100000210904_100000210206 [0,2,0,0,0,0|1,0,1]=4 1157 B7R0.2 CC(C)OC(C)CO 34a_100000212225_100012180447 [0,2,0,0,0,0|0,0,2]=4 1158 B7R0.2 CC(C)SC(C)C#N 62a_100000210206_100000703298 [0,2,0,0,0,0|1,0,1]=4 1159 B7R0.2 CC(C)SC(C)C#N 62a_100000703298_100000210206 [0,2,0,0,0,0|1,0,1]=4 1160 B7R0.2 CC(C)SC(C)CO 62a_100012180447_100000210206 [0,2,0,0,0,0|0,0,2]=4 1161 B7R0.2 CC(C)S[C@H](C)CO 62a_100000210206_100016084084 [0,2,0,0,0,0|0,0,2]=4 1162 B7R0.2 CC(C)S[C@H](C)CO 62a_100016084084_100000210206 [0,2,0,0,0,0|0,0,2]=4 1163 B7R0.2 CC(CN(C)C)S[13CH3] 62a_100020606517_200025704644 [0,2,0,0,0,0|2,0,0]=4 1164 B7R0.2 CC(CN(C)C)S[13CH3] 62a_200025704644_100020606517 [0,2,0,0,0,0|2,0,0]=4 1165 B7R0.2 CCC(=CC(=O)C)C 1458a_100020758463_200000210301 [0,2,0,0,0,0|0,0,1]=3 1166 B7R0.2 CCC(=CC(=O)[13CH3])C 1458a_100020758463_200025704644 [0,2,0,0,0,0|0,0,1]=3 1167 B7R0.2 CCC(=O)CC(=O)C 1458a_100000070787_100000747405 [0,2,0,0,0,0|1,0,1]=4 1168 B7R0.2 CCC(=O)CC(=O)N 1458a_100000210414_100000187820 [0,2,0,0,0,0|1,0,1]=4 1169 B7R0.2 CCC(=O)CC(=O)N 1458a_100134613110_100000210202 [0,2,0,0,0,0|1,0,1]=4 1170 B7R0.2 CCC(=O)CC(=O)[O-] 1458a_100000210414_100020667443 [0,2,0,0,0,0|1,0,1]=4 1171 B7R0.2 CCC(C)CC(=O)C 1458a_100000070787_100000748023 [0,2,0,0,0,0|0,0,0]=2 1172 B7R0.2 CCC(C)CC(=O)C 1458a_100000708755_200000210301 [0,2,0,0,0,0|0,0,0]=2 1173 B7R0.2 CCC(C)CC(=O)[13CH3] 1458a_100000708755_200025704644 [0,2,0,0,0,0|0,0,0]=2 1174 B7R0.2 CCC(C)CN(C)C 2230a_100000753921_200000210301 [0,2,0,0,0,0|1,0,1]=4 1175 B7R0.2 CCC(C)CN(C)C 2230a_100102631434_100000748023 [0,2,0,0,0,0|1,0,1]=4 1176 B7R0.2 CCC(C)CN(C)C 269982a_100000753921_200000210301 [0,2,0,0,0,0|1,0,1]=4 1177 B7R0.2 CCC(C)CN(C)C 269982a_100102631434_100000748023 [0,2,0,0,0,0|1,0,1]=4 1178 B7R0.2 CCC(C)CN(C)C 270004a_100102631434_100000243153 [0,2,0,0,0,0|1,0,1]=4 1179 B7R0.2 CCC(C)CN(C)[13CH3] 2230a_100000753921_200025704644 [0,2,0,0,0,0|1,0,1]=4 1180 B7R0.2 CCC(C)CN(C)[13CH3] 269982a_100000753921_200025704644 [0,2,0,0,0,0|1,0,1]=4 1181 B7R0.2 CCC(C)NC(=O)C 11a_100000209981_100015343762 [0,2,0,0,0,0|0,0,0]=2 1182 B7R0.2 CCC(C)NC(=O)C 1626a_100000209981_100015343762 [0,2,0,0,0,0|0,0,0]=2 1183 B7R0.2 CCC(C)NC(=O)C 240690a_100000209981_100015343762 [0,2,0,0,0,0|0,0,0]=2 1184 B7R0.2 CCC(C)NC(=O)C 527a_100000209981_100103153847 [0,2,0,0,0,0|0,0,0]=2 1185 B7R0.2 CCC(C)NC(C)C 2230a_100000209981_100000210206 [0,2,0,0,0,0|1,0,1]=4 1186 B7R0.2 CCC(C)NC(C)C 2230a_100138425928_100000758301 [0,2,0,0,0,0|1,0,1]=4 1187 B7R0.2 CCC(C)NC(C)C 34a_100138425928_100011215416 [0,2,0,0,0,0|1,0,1]=4 1188 B7R0.2 CCC(C)OC(C)C 34a_100000212225_100011215416 [0,2,0,0,0,0|1,0,1]=4 1189 B7R0.2 CCC(C)OC(C)C 7a_100000210228_100000210206 [0,2,0,0,0,0|1,0,1]=4 1190 B7R0.2 CCC(C)SC(C)C 62a_100000210206_100000758301 [0,2,0,0,0,0|1,0,1]=4 1191 B7R0.2 CCC(C)SC(C)C 62a_100000758301_100000210206 [0,2,0,0,0,0|1,0,1]=4 1192 B7R0.2 CCC(O)CC(=O)C 1458a_100000070787_100011218378 [0,2,0,0,0,0|1,0,0]=3 1193 B7R0.2 CCC(O)CC(=O)C 1458a_100011667805_200000210301 [0,2,0,0,0,0|1,0,0]=3 1194 B7R0.2 CCC(O)CC(=O)[13CH3] 1458a_100011667805_200025704644 [0,2,0,0,0,0|1,0,0]=3 1195 B7R0.2 CCN(C)CC(=O)C 1458a_100116209913_200000210301 [0,2,0,0,0,0|1,0,0]=3 1196 B7R0.2 CCN(C)CC(=O)N 2230a_100000225621_100000747473 [0,2,0,0,0,0|1,0,0]=3 1197 B7R0.2 CCN(C)CC(=O)N 2230a_100000739694_100000210202 [0,2,0,0,0,0|1,0,0]=3 1198 B7R0.2 CCN(C)CC(=O)N 269982a_100000225621_100000187820 [0,2,0,0,0,0|1,0,0]=3 1199 B7R0.2 CCN(C)CC(=O)O 269956a_100000746405_200000210301 [0,2,0,0,0,0|1,0,0]=3 1200 B7R0.2 CCN(C)CC(=O)O 269956a_100000746989_100000210202 [0,2,0,0,0,0|1,0,0]=3 1201 B7R0.2 CCN(C)CC(=O)[13CH3] 1458a_100116209913_200025704644 [0,2,0,0,0,0|1,0,0]=3 1202 B7R0.2 CCN(C)CC(=O)[O-] 269982a_100000225621_100020667443 [0,2,0,0,0,0|1,0,0]=3 1203 B7R0.2 CCN(C)C[N+](=O)[O-] 269982a_100000225621_100000761209 [0,2,0,0,0,0|1,0,1]=4 1204 B7R0.2 CCN([13CH3])CC(=O)O 269956a_100000746405_200025704644 [0,2,0,0,0,0|1,0,0]=3 1205 B7R0.2 CC[C@H](C)CC(=O)C 1458a_100000070787_100009816398 [0,2,0,0,0,0|0,0,0]=2 1206 B7R0.2 CC[C@H](C)CN(C)C 2230a_100102631434_100009816398 [0,2,0,0,0,0|1,0,1]=4 1207 B7R0.2 CC[C@H](C)CN(C)C 269982a_100102631434_100009816398 [0,2,0,0,0,0|1,0,1]=4 1208 B7R0.2 CN(CF)CC(=O)O 269956a_100000746989_100015361967 [0,2,0,0,0,0|2,0,0]=4 1209 B7R0.2 CN(CO)CC(=O)[O-] 269956a_100016989150_200000210301 [0,2,0,0,0,0|2,0,0]=4 1210 B7R0.2 CNC(C)CC(C)C 2230a_100000692259_200000210301 [0,2,0,0,0,0|2,0,0]=4 1211 B7R0.2 CNC(C)CC(C)C 2230a_106832991635_100000731052 [0,2,0,0,0,0|2,0,0]=4 1212 B7R0.2 CNC(C)CC(C)C 34a_100102657272_100000731052 [0,2,0,0,0,0|2,0,0]=4 1213 B7R0.2 CNC(C)CC(C)C 7a_106832991635_100000731052 [0,2,0,0,0,0|2,0,0]=4 1214 B7R0.2 COC(C)C=C(C)C 34a_100000717055_200000210301 [0,2,0,0,0,0|2,0,0]=4 1215 B7R0.2 COC(C)CC(C)C 34a_100000211805_200000210301 [0,2,0,0,0,0|2,0,0]=4 1216 B7R0.2 COC(C)CC(C)C 34a_100138415774_100000731052 [0,2,0,0,0,0|2,0,0]=4 1217 B7R0.2 COC(C)CC(C)C 7a_100000211805_200000210301 [0,2,0,0,0,0|2,0,0]=4 1218 B7R0.2 COC(C)SC(C)C 62a_100000210206_100009879195 [0,2,0,0,0,0|2,0,0]=4 1219 B7R0.2 COC(C)SC(C)C 62a_100009879195_100000210206 [0,2,0,0,0,0|2,0,0]=4 1220 B7R0.2 CSC(C)CC(C)C 62a_100000731052_200000210301 [0,2,0,0,0,0|2,0,0]=4 1221 B7R0.2 CSC(C)CC(C)C 62a_200000210301_100000731052 [0,2,0,0,0,0|2,0,0]=4 1222 B7R0.2 CSC(C)CN(C)C 62a_100020606517_200000210301 [0,2,0,0,0,0|2,0,0]=4 1223 B7R0.2 CSC(C)CN(C)C 62a_200000210301_100020606517 [0,2,0,0,0,0|2,0,0]=4 1224 B7R0.2 CSC(C)OC(=O)C 62a_100009818208_200000210301 [0,2,0,0,0,0|1,0,0]=3 1225 B7R0.2 CSC(C)OC(=O)C 62a_200000210301_100009818208 [0,2,0,0,0,0|1,0,0]=3 1226 B7R0.2 C[C@@H](CO)CN(C)C 2230a_100102631434_100000059175 [0,2,0,0,0,0|0,0,2]=4 1227 B7R0.2 C[C@@H](CO)CN(C)C 269982a_100102631434_100000059175 [0,2,0,0,0,0|0,0,2]=4 1228 B7R0.2 [13CH3]N(CO)CC(=O)[O-] 269956a_100016989150_200025704644 [0,2,0,0,0,0|2,0,0]=4 1229 B7R0.3 C#CC(C)NCC=O 2230a_100000707721_200015260668 [0,2,0,0,0,0|0,0,2]=4 1230 B7R0.3 C#CC(C)NCC=O 34a_100000707721_200009817547 [0,2,0,0,0,0|0,0,2]=4 1231 B7R0.3 C#CC(C)NCCC 2230a_100000707721_100000210303 [0,2,0,0,0,0|1,0,1]=4 1232 B7R0.3 C#CC(C)NCCC 34a_100000707721_100000210303 [0,2,0,0,0,0|1,0,1]=4 1233 B7R0.3 C#CC(C)NCCF 2230a_100000707721_100011217306 [0,2,0,0,0,0|1,0,1]=4 1234 B7R0.3 C#CC(C)NCCF 34a_100000707721_100011217306 [0,2,0,0,0,0|1,0,1]=4 1235 B7R0.3 C#CC(C)NCCF 34a_100000724931_200000035995 [0,2,0,0,0,0|1,0,1]=4 1236 B7R0.3 C#CC(C)NCCO 2230a_100000707721_100000211926 [0,2,0,0,0,0|1,0,1]=4 1237 B7R0.3 C#CC(C)NCCO 34a_100000707721_100000211926 [0,2,0,0,0,0|1,0,1]=4 1238 B7R0.3 C#CC(C)NCCO 34a_100016990907_200000035995 [0,2,0,0,0,0|1,0,1]=4 1239 B7R0.3 C#CC(C)NCOC 2230a_100000707721_100000766300 [0,2,0,0,0,0|1,0,1]=4 1240 B7R0.3 C#CC(C)NCSC 2230a_100000707721_100011218213 [0,2,0,0,0,0|1,0,1]=4 1241 B7R0.3 C#CC(C)NCSC 34a_100000707721_100011218213 [0,2,0,0,0,0|1,0,1]=4 1242 B7R0.3 C#CC(C)OCCBr 34a_100000211926_200000035995 [0,2,0,0,0,0|1,0,1]=4 1243 B7R0.3 C#CC(C)OCCC 34a_100000210258_200000035995 [0,2,0,0,0,0|1,0,1]=4 1244 B7R0.3 C#CC(C)OCCN 34a_100000210304_200000035995 [0,2,0,0,0,0|1,0,1]=4 1245 B7R0.3 C#CC(C)SCC=O 62a_200000035995_200015260668 [0,2,0,0,0,0|0,0,2]=4 1246 B7R0.3 C#CC(C)SCCC 62a_200000035995_100000210303 [0,2,0,0,0,0|1,0,1]=4 1247 B7R0.3 C#CC(C)SCCF 62a_200000035995_100011217306 [0,2,0,0,0,0|1,0,1]=4 1248 B7R0.3 C#CC(C)SCCO 62a_200000035995_100000211926 [0,2,0,0,0,0|1,0,1]=4 1249 B7R0.3 C#CC(C)SCOC 62a_200000035995_100000766300 [0,2,0,0,0,0|1,0,1]=4 1250 B7R0.3 C#CC(C)SCSC 62a_200000035995_100011218213 [0,2,0,0,0,0|1,0,1]=4 1251 B7R0.3 C#CCNC(C)CC 2230a_100000209981_100000038162 [0,2,0,0,0,0|1,0,1]=4 1252 B7R0.3 C#CCNC(C)CC 34a_100000212058_100011215416 [0,2,0,0,0,0|1,0,1]=4 1253 B7R0.3 C#CCOC(C)C=C 34a_100000695699_100000184674 [0,2,0,0,0,0|1,0,1]=4 1254 B7R0.3 C#CCOC(C)CC 34a_100000210247_100011215416 [0,2,0,0,0,0|1,0,1]=4 1255 B7R0.3 C#CCOC(C)CC 7a_100000210228_100000038162 [0,2,0,0,0,0|1,0,1]=4 1256 B7R0.3 C#CCSC(C)CC 62a_100000038162_100000758301 [0,2,0,0,0,0|1,0,1]=4 1257 B7R0.3 C#C[C@@H](C)OCC=O 34a_100009815206_200009817547 [0,2,0,0,0,0|0,0,2]=4 1258 B7R0.3 C#C[C@@H](C)OCC=O 7a_100009815206_200015260668 [0,2,0,0,0,0|0,0,2]=4 1259 B7R0.3 C#C[C@@H](C)OCCC 34a_100009815206_100000210303 [0,2,0,0,0,0|1,0,1]=4 1260 B7R0.3 C#C[C@@H](C)OCCC 7a_100009815206_100000210303 [0,2,0,0,0,0|1,0,1]=4 1261 B7R0.3 C#C[C@@H](C)OCCF 34a_100009815206_100011217306 [0,2,0,0,0,0|1,0,1]=4 1262 B7R0.3 C#C[C@@H](C)OCCF 7a_100009815206_100011217306 [0,2,0,0,0,0|1,0,1]=4 1263 B7R0.3 C#C[C@@H](C)OCCO 34a_100009815206_100000211926 [0,2,0,0,0,0|1,0,1]=4 1264 B7R0.3 C#C[C@@H](C)OCCO 7a_100009815206_100000211926 [0,2,0,0,0,0|1,0,1]=4 1265 B7R0.3 C#C[C@@H](C)OCSC 34a_100009815206_100011218213 [0,2,0,0,0,0|1,0,1]=4 1266 B7R0.3 C/C=C/CN(C)CC 269982a_100000225621_100102629194 [0,2,0,0,0,0|2,0,0]=4 1267 B7R0.3 C=CC(=NNCC)C 4a_100000756455_200015361842 [0,2,0,0,0,0|1,0,1]=4 1268 B7R0.3 C=CC(C)COCC 34a_100011215527_100000210202 [0,2,0,0,0,0|1,0,0]=3 1269 B7R0.3 C=CC(C)COCC 7a_100011215527_100000210202 [0,2,0,0,0,0|1,0,0]=3 1270 B7R0.3 C=CC(C)COCF 34a_100011215527_100015361967 [0,2,0,0,0,0|1,0,0]=3 1271 B7R0.3 C=CC(C)COCF 7a_100011215527_100015361967 [0,2,0,0,0,0|1,0,0]=3 1272 B7R0.3 C=CC(C)OCC=O 34a_100000695699_200009817547 [0,2,0,0,0,0|0,0,2]=4 1273 B7R0.3 C=CC(C)OCCC 34a_100000695699_100000210303 [0,2,0,0,0,0|1,0,0]=3 1274 B7R0.3 C=CC(C)OCCF 34a_100000695699_100011217306 [0,2,0,0,0,0|1,0,0]=3 1275 B7R0.3 C=CC(C)OCCO 34a_100000695699_100000211926 [0,2,0,0,0,0|1,0,0]=3 1276 B7R0.3 C=CC(C)OCSC 34a_100000695699_100011218213 [0,2,0,0,0,0|1,0,0]=3 1277 B7R0.3 C=CC(C)SCC#N 62a_100011215867_100011215382 [0,2,0,0,0,0|1,0,1]=4 1278 B7R0.3 C=CC(C)SCC=O 62a_100011215867_200015260668 [0,2,0,0,0,0|0,0,2]=4 1279 B7R0.3 C=CC(C)SCCC 62a_100011215867_100000210303 [0,2,0,0,0,0|1,0,0]=3 1280 B7R0.3 C=CC(C)SCCF 62a_100011215867_100011217306 [0,2,0,0,0,0|1,0,0]=3 1281 B7R0.3 C=CC(C)SCCO 62a_100011215867_100000211926 [0,2,0,0,0,0|1,0,0]=3 1282 B7R0.3 C=CC(C)SCOC 62a_100011215867_100000766300 [0,2,0,0,0,0|1,0,0]=3 1283 B7R0.3 C=CC(C)SCSC 62a_100011215867_100011218213 [0,2,0,0,0,0|1,0,0]=3 1284 B7R0.3 C=CC(O)CNCC 2230a_100015525214_100000730141 [0,2,0,0,0,0|2,0,0]=4 1285 B7R0.3 C=CC(O)COCC 34a_100121572206_100000730141 [0,2,0,0,0,0|2,0,0]=4 1286 B7R0.3 C=CC(O)CSCC 62a_100000210202_100000730141 [0,2,0,0,0,0|2,0,0]=4 1287 B7R0.3 C=CC(O)CSCC 62a_100000730141_100000210202 [0,2,0,0,0,0|2,0,0]=4 1288 B7R0.3 C=CC(O)CSCF 62a_100000730141_100015361967 [0,2,0,0,0,0|2,0,0]=4 1289 B7R0.3 C=CC(O)CSCF 62a_100015361967_100000730141 [0,2,0,0,0,0|2,0,0]=4 1290 B7R0.3 C=CCCC(C)NC 270004a_106832991635_100000762624 [0,2,0,0,0,0|2,0,0]=4 1291 B7R0.3 C=CCCC(C)OC 34a_100000765329_200000210301 [0,2,0,0,0,0|2,0,0]=4 1292 B7R0.3 C=CCCC(C)OC 7a_100000765329_200000210301 [0,2,0,0,0,0|2,0,0]=4 1293 B7R0.3 C=CCCC(C)O[13CH3] 34a_100000765329_200025704644 [0,2,0,0,0,0|2,0,0]=4 1294 B7R0.3 C=CCCC(C)O[13CH3] 7a_100000765329_200025704644 [0,2,0,0,0,0|2,0,0]=4 1295 B7R0.3 C=CCCN(C)CC 2230a_100000225621_100000754431 [0,2,0,0,0,0|2,0,0]=4 1296 B7R0.3 C=CCCN(C)CC 2230a_100020639649_100000210202 [0,2,0,0,0,0|2,0,0]=4 1297 B7R0.3 C=CCCN(C)CC 269982a_100000225621_100000754431 [0,2,0,0,0,0|2,0,0]=4 1298 B7R0.3 C=CCCN(C)CC 269982a_100020639649_100000204670 [0,2,0,0,0,0|2,0,0]=4 1299 B7R0.3 C=CCNC(C)CC 2230a_100000209981_100000210623 [0,2,0,0,0,0|1,0,0]=3 1300 B7R0.3 C=CCNC(C)CC 2230a_100020586998_100000758301 [0,2,0,0,0,0|1,0,0]=3 1301 B7R0.3 C=CCNC(C)CO 2230a_100020586998_100012180447 [0,2,0,0,0,0|2,0,0]=4 1302 B7R0.3 C=CCN[C@H](C)CO 2230a_100000737577_100000210623 [0,2,0,0,0,0|2,0,0]=4 1303 B7R0.3 C=CCOC(C)C=C 34a_100000695699_100015514636 [0,2,0,0,0,0|1,0,1]=4 1304 B7R0.3 C=CCOC(C)CC 34a_200000210373_100011215416 [0,2,0,0,0,0|1,0,0]=3 1305 B7R0.3 C=CCOC(C)CC 7a_100000210228_100015514636 [0,2,0,0,0,0|1,0,0]=3 1306 B7R0.3 C=CCOC(C)CF 34a_100016041109_100015514636 [0,2,0,0,0,0|2,0,0]=4 1307 B7R0.3 C=CCOC(C)CF 7a_100016041109_100015514636 [0,2,0,0,0,0|2,0,0]=4 1308 B7R0.3 C=CCOC(C)CN 34a_100000210904_100015514636 [0,2,0,0,0,0|2,0,0]=4 1309 B7R0.3 C=CCOC(C)CO 34a_200000210373_100012180447 [0,2,0,0,0,0|2,0,0]=4 1310 B7R0.3 C=CCSC(C)C=C 62a_100011215867_100000210623 [0,2,0,0,0,0|1,0,1]=4 1311 B7R0.3 C=CCSC(C)CC 62a_100000210623_100000758301 [0,2,0,0,0,0|1,0,0]=3 1312 B7R0.3 C=CCSC(C)CC 62a_100000758301_100000210623 [0,2,0,0,0,0|1,0,0]=3 1313 B7R0.3 C=CCSC(C)CO 62a_100012180447_100000210623 [0,2,0,0,0,0|2,0,0]=4 1314 B7R0.3 C=CCSC(C)OC 62a_100000210623_100009879195 [0,2,0,0,0,0|2,0,0]=4 1315 B7R0.3 C=CCSC(C)OC 62a_100009879195_100000210623 [0,2,0,0,0,0|2,0,0]=4 1316 B7R0.3 C=CCS[C@H](C)CO 62a_100000210623_100016084084 [0,2,0,0,0,0|2,0,0]=4 1317 B7R0.3 C=CCS[C@H](C)CO 62a_100016084084_100000210623 [0,2,0,0,0,0|2,0,0]=4 1318 B7R0.3 C=C[C@H](N)COCC 34a_100016989147_100000210202 [0,2,0,0,0,0|2,0,0]=4 1319 B7R0.3 C=C[C@H](N)COCF 34a_100016989147_100015361967 [0,2,0,0,0,0|2,0,0]=4 1320 B7R0.3 CC(C#N)NCC=O 2230a_100000737613_200015260668 [0,2,0,0,0,0|1,0,1]=4 1321 B7R0.3 CC(C#N)NCCF 2230a_100000737613_100011217306 [0,2,0,0,0,0|1,0,1]=4 1322 B7R0.3 CC(C#N)NCCO 2230a_100000737613_100000211926 [0,2,0,0,0,0|1,0,1]=4 1323 B7R0.3 CC(C#N)NCCO 2230a_100016997473_100000184139 [0,2,0,0,0,0|1,0,1]=4 1324 B7R0.3 CC(C#N)OCC=O 34a_100011218135_200009817547 [0,2,0,0,0,0|1,0,1]=4 1325 B7R0.3 CC(C#N)OCCF 34a_100011218135_100011217306 [0,2,0,0,0,0|1,0,1]=4 1326 B7R0.3 CC(C#N)OCCO 34a_100011218135_100000211926 [0,2,0,0,0,0|1,0,1]=4 1327 B7R0.3 CC(C#N)SCC=O 62a_100000703298_200015260668 [0,2,0,0,0,0|1,0,1]=4 1328 B7R0.3 CC(C#N)SCC=O 62a_200015260668_100000703298 [0,2,0,0,0,0|1,0,1]=4 1329 B7R0.3 CC(C#N)SCCF 62a_100000703298_100011217306 [0,2,0,0,0,0|1,0,1]=4 1330 B7R0.3 CC(C#N)SCCF 62a_100011217306_100000703298 [0,2,0,0,0,0|1,0,1]=4 1331 B7R0.3 CC(C#N)SCCO 62a_100000211926_100000703298 [0,2,0,0,0,0|1,0,1]=4 1332 B7R0.3 CC(C#N)SCCO 62a_100000703298_100000211926 [0,2,0,0,0,0|1,0,1]=4 1333 B7R0.3 CC(CCCCl)O[13CH3] 34a_200000718107_200025704644 [0,2,0,0,0,0|2,0,0]=4 1334 B7R0.3 CC(CCCCl)O[13CH3] 7a_200000718107_200025704644 [0,2,0,0,0,0|2,0,0]=4 1335 B7R0.3 CC(CF)OCC=O 34a_100016041109_200009817547 [0,2,0,0,0,0|1,0,0]=3 1336 B7R0.3 CC(CF)OCC=O 7a_100016041109_200015260668 [0,2,0,0,0,0|1,0,0]=3 1337 B7R0.3 CC(CF)OCCF 34a_100016041109_100011217306 [0,2,0,0,0,0|1,0,1]=4 1338 B7R0.3 CC(CF)OCCF 7a_100016041109_100011217306 [0,2,0,0,0,0|1,0,1]=4 1339 B7R0.3 CC(CF)OCCO 34a_100016041109_100000211926 [0,2,0,0,0,0|1,0,1]=4 1340 B7R0.3 CC(CF)OCCO 7a_100016041109_100000211926 [0,2,0,0,0,0|1,0,1]=4 1341 B7R0.3 CC(CN)COCF 34a_100000744482_100015361967 [0,2,0,0,0,0|1,0,1]=4 1342 B7R0.3 CC(CN)OCC=O 34a_100000210904_200009817547 [0,2,0,0,0,0|1,0,0]=3 1343 B7R0.3 CC(CN)OCCF 34a_100000210904_100011217306 [0,2,0,0,0,0|1,0,1]=4 1344 B7R0.3 CC(CN)OCCO 34a_100000210904_100000211926 [0,2,0,0,0,0|1,0,1]=4 1345 B7R0.3 CC(CO)CCN[13CH3] 2230a_106354213184_200025704644 [0,2,0,0,0,0|0,0,2]=4 1346 B7R0.3 CC(CO)CCN[13CH3] 34a_106354213184_200025704644 [0,2,0,0,0,0|0,0,2]=4 1347 B7R0.3 CC(CO)CNCF 34a_100000744482_100015361967 [0,2,0,0,0,0|0,0,2]=4 1348 B7R0.3 CC(CO)NCCF 34a_100000724931_100012180447 [0,2,0,0,0,0|0,0,2]=4 1349 B7R0.3 CC(CO)NCCO 2230a_100016997473_100012180447 [0,2,0,0,0,0|0,0,2]=4 1350 B7R0.3 CC(CO)NCCO 34a_100016990907_100012180447 [0,2,0,0,0,0|0,0,2]=4 1351 B7R0.3 CC(CO)OCCBr 34a_100000211926_100012180447 [0,2,0,0,0,0|0,0,2]=4 1352 B7R0.3 CC(CO)OCCN 34a_100000210304_100012180447 [0,2,0,0,0,0|0,0,2]=4 1353 B7R0.3 CC(CO)SCC=O 62a_100012180447_200015260668 [0,2,0,0,0,0|1,0,0]=3 1354 B7R0.3 CC(CO)SCCF 62a_100012180447_100011217306 [0,2,0,0,0,0|0,0,2]=4 1355 B7R0.3 CC(CO)SCCO 62a_100012180447_100000211926 [0,2,0,0,0,0|0,0,2]=4 1356 B7R0.3 CC=CCN(C)CC 2230a_100000225621_100000070051 [0,2,0,0,0,0|2,0,0]=4 1357 B7R0.3 CC=NNC(C)CC 4a_100000718999_200000210099 [0,2,0,0,0,0|1,0,0]=3 1358 B7R0.3 CCC#CC(C)OC 34a_100000033903_200000210301 [0,2,0,0,0,0|2,0,0]=4 1359 B7R0.3 CCC#CC(C)OC 7a_100000033903_200000210301 [0,2,0,0,0,0|2,0,0]=4 1360 B7R0.3 CCC#CC(C)O[13CH3] 34a_100000033903_200025704644 [0,2,0,0,0,0|2,0,0]=4 1361 B7R0.3 CCC#CC(C)O[13CH3] 7a_100000033903_200025704644 [0,2,0,0,0,0|2,0,0]=4 1362 B7R0.3 CCC(C)CCNC 2230a_100020591266_200000210301 [0,2,0,0,0,0|1,0,1]=4 1363 B7R0.3 CCC(C)CCN[13CH3] 2230a_100020591266_200025704644 [0,2,0,0,0,0|1,0,1]=4 1364 B7R0.3 CCC(C)CCOC 7a_100011215188_200000210301 [0,2,0,0,0,0|0,0,2]=4 1365 B7R0.3 CCC(C)CCO[13CH3] 7a_100011215188_200025704644 [0,2,0,0,0,0|0,0,2]=4 1366 B7R0.3 CCC(C)CSCF 62a_100000748023_100015361967 [0,2,0,0,0,0|0,1,1]=4 1367 B7R0.3 CCC(C)CSCF 62a_100015361967_100000748023 [0,2,0,0,0,0|0,1,1]=4 1368 B7R0.3 CCC(C)NCC#N 2230a_100000209981_100011215382 [0,2,0,0,0,0|1,0,1]=4 1369 B7R0.3 CCC(C)NCC=O 2230a_100000209981_200015260668 [0,2,0,0,0,0|0,0,0]=2 1370 B7R0.3 CCC(C)NCCF 2230a_100000209981_100011217306 [0,2,0,0,0,0|1,0,1]=4 1371 B7R0.3 CCC(C)NCCF 34a_100000724931_100011215416 [0,2,0,0,0,0|1,0,1]=4 1372 B7R0.3 CCC(C)NCCO 2230a_100000209981_100000211926 [0,2,0,0,0,0|0,0,2]=4 1373 B7R0.3 CCC(C)NCCO 2230a_100016997473_100000758301 [0,2,0,0,0,0|0,0,2]=4 1374 B7R0.3 CCC(C)NCCO 34a_100016990907_100011215416 [0,2,0,0,0,0|0,0,2]=4 1375 B7R0.3 CCC(C)NCOC 2230a_100000209981_100000766300 [0,2,0,0,0,0|0,0,2]=4 1376 B7R0.3 CCC(C)NCSC 2230a_100000209981_100011218213 [0,2,0,0,0,0|0,1,1]=4 1377 B7R0.3 CCC(C)OCC#N 7a_100000210228_100011215382 [0,2,0,0,0,0|1,0,1]=4 1378 B7R0.3 CCC(C)OCC=O 7a_100000210228_200015260668 [0,2,0,0,0,0|0,0,0]=2 1379 B7R0.3 CCC(C)OCCBr 34a_100000211926_100011215416 [0,2,0,0,0,0|1,0,1]=4 1380 B7R0.3 CCC(C)OCCF 7a_100000210228_100011217306 [0,2,0,0,0,0|1,0,1]=4 1381 B7R0.3 CCC(C)OCCN 34a_100000210304_100011215416 [0,2,0,0,0,0|1,0,1]=4 1382 B7R0.3 CCC(C)OCCO 7a_100000210228_100000211926 [0,2,0,0,0,0|0,0,2]=4 1383 B7R0.3 CCC(C)SCC#N 62a_100000758301_100011215382 [0,2,0,0,0,0|1,0,1]=4 1384 B7R0.3 CCC(C)SCC#N 62a_100011215382_100000758301 [0,2,0,0,0,0|1,0,1]=4 1385 B7R0.3 CCC(C)SCC=O 62a_100000758301_200015260668 [0,2,0,0,0,0|0,0,0]=2 1386 B7R0.3 CCC(C)SCC=O 62a_200015260668_100000758301 [0,2,0,0,0,0|0,0,0]=2 1387 B7R0.3 CCC(C)SCCF 62a_100000758301_100011217306 [0,2,0,0,0,0|1,0,1]=4 1388 B7R0.3 CCC(C)SCCF 62a_100011217306_100000758301 [0,2,0,0,0,0|1,0,1]=4 1389 B7R0.3 CCC(C)SCCO 62a_100000211926_100000758301 [0,2,0,0,0,0|0,0,2]=4 1390 B7R0.3 CCC(C)SCCO 62a_100000758301_100000211926 [0,2,0,0,0,0|0,0,2]=4 1391 B7R0.3 CCC(C)SCOC 62a_100000758301_100000766300 [0,2,0,0,0,0|0,0,2]=4 1392 B7R0.3 CCC(C)SCOC 62a_100000766300_100000758301 [0,2,0,0,0,0|0,0,2]=4 1393 B7R0.3 CCC(C)SCSC 62a_100000758301_100011218213 [0,2,0,0,0,0|0,1,1]=4 1394 B7R0.3 CCC(C)SCSC 62a_100011218213_100000758301 [0,2,0,0,0,0|0,1,1]=4 1395 B7R0.3 CCCCC(C)NC 2230a_100000126638_200000210301 [0,2,0,0,0,0|2,0,0]=4 1396 B7R0.3 CCCCC(C)NC 2230a_106832991635_200011215066 [0,2,0,0,0,0|2,0,0]=4 1397 B7R0.3 CCCCC(C)NC 270004a_106832991635_100000210087 [0,2,0,0,0,0|2,0,0]=4 1398 B7R0.3 CCCCC(C)NC 34a_100102657272_200011215066 [0,2,0,0,0,0|2,0,0]=4 1399 B7R0.3 CCCCC(C)NC 7a_106832991635_200011215066 [0,2,0,0,0,0|2,0,0]=4 1400 B7R0.3 CCCCC(C)N[13CH3] 2230a_100000126638_200025704644 [0,2,0,0,0,0|2,0,0]=4 1401 B7R0.3 CCCCC(C)OC 34a_100000687866_200000210301 [0,2,0,0,0,0|2,0,0]=4 1402 B7R0.3 CCCCC(C)OC 34a_100138415774_200011215066 [0,2,0,0,0,0|2,0,0]=4 1403 B7R0.3 CCCCC(C)OC 7a_100000687866_200000210301 [0,2,0,0,0,0|2,0,0]=4 1404 B7R0.3 CCCCC(C)O[13CH3] 34a_100000687866_200025704644 [0,2,0,0,0,0|2,0,0]=4 1405 B7R0.3 CCCCC(C)O[13CH3] 7a_100000687866_200025704644 [0,2,0,0,0,0|2,0,0]=4 1406 B7R0.3 CCCCC(C)SC 62a_200000210301_200011215066 [0,2,0,0,0,0|2,0,0]=4 1407 B7R0.3 CCCCC(C)SC 62a_200011215066_200000210301 [0,2,0,0,0,0|2,0,0]=4 1408 B7R0.3 CCCCC(C)S[13CH3] 62a_200011215066_200025704644 [0,2,0,0,0,0|2,0,0]=4 1409 B7R0.3 CCCCC(C)S[13CH3] 62a_200025704644_200011215066 [0,2,0,0,0,0|2,0,0]=4 1410 B7R0.3 CCCNC(C)C#N 2230a_100000737613_100000210303 [0,2,0,0,0,0|1,0,1]=4 1411 B7R0.3 CCCNC(C)CC 2230a_100000209981_100000210303 [0,2,0,0,0,0|1,0,1]=4 1412 B7R0.3 CCCN[C@H](C)CO 2230a_100000737577_100000210303 [0,2,0,0,0,0|0,0,2]=4 1413 B7R0.3 CCCOC(C)C#N 34a_100011218135_100000210303 [0,2,0,0,0,0|1,0,1]=4 1414 B7R0.3 CCCOC(C)CC 34a_100000210258_100011215416 [0,2,0,0,0,0|1,0,1]=4 1415 B7R0.3 CCCOC(C)CC 7a_100000210228_100000210303 [0,2,0,0,0,0|1,0,1]=4 1416 B7R0.3 CCCOC(C)CF 34a_100016041109_100000210303 [0,2,0,0,0,0|1,0,1]=4 1417 B7R0.3 CCCOC(C)CF 7a_100016041109_100000210303 [0,2,0,0,0,0|1,0,1]=4 1418 B7R0.3 CCCOC(C)CN 34a_100000210904_100000210303 [0,2,0,0,0,0|1,0,1]=4 1419 B7R0.3 CCCOC(C)CO 34a_100000210258_100012180447 [0,2,0,0,0,0|0,0,2]=4 1420 B7R0.3 CCCSC(C)C#N 62a_100000210303_100000703298 [0,2,0,0,0,0|1,0,1]=4 1421 B7R0.3 CCCSC(C)C#N 62a_100000703298_100000210303 [0,2,0,0,0,0|1,0,1]=4 1422 B7R0.3 CCCSC(C)CC 62a_100000210303_100000758301 [0,2,0,0,0,0|1,0,1]=4 1423 B7R0.3 CCCSC(C)CC 62a_100000758301_100000210303 [0,2,0,0,0,0|1,0,1]=4 1424 B7R0.3 CCCSC(C)CO 62a_100012180447_100000210303 [0,2,0,0,0,0|0,0,2]=4 1425 B7R0.3 CCCSC(C)OC 62a_100000210303_100009879195 [0,2,0,0,0,0|2,0,0]=4 1426 B7R0.3 CCCSC(C)OC 62a_100009879195_100000210303 [0,2,0,0,0,0|2,0,0]=4 1427 B7R0.3 CCCS[C@H](C)CO 62a_100000210303_100016084084 [0,2,0,0,0,0|0,0,2]=4 1428 B7R0.3 CCCS[C@H](C)CO 62a_100016084084_100000210303 [0,2,0,0,0,0|0,0,2]=4 1429 B7R0.3 CCNCC(C)CC 2230a_100015525214_100000748023 [0,2,0,0,0,0|1,0,1]=4 1430 B7R0.3 CCNCC(C)CC 2230a_100020588543_100000210202 [0,2,0,0,0,0|1,0,1]=4 1431 B7R0.3 CCNCC(C)CC 270004a_100015525214_100000243153 [0,2,0,0,0,0|1,0,1]=4 1432 B7R0.3 CCNCC(C)CO 34a_100000744482_100000210202 [0,2,0,0,0,0|0,0,2]=4 1433 B7R0.3 CCNC[C@@H](C)CC 2230a_100015525214_100009816398 [0,2,0,0,0,0|1,0,1]=4 1434 B7R0.3 CCNC[C@@H](C)CO 2230a_100015525214_100000059175 [0,2,0,0,0,0|0,0,2]=4 1435 B7R0.3 CCNC[C@@H](C)OC 2230a_100020591295_100000210202 [0,2,0,0,0,0|2,0,0]=4 1436 B7R0.3 CCOCC(C)CC 34a_100121572206_100000748023 [0,2,0,0,0,0|0,0,2]=4 1437 B7R0.3 CCOCC(C)CN 34a_100000744482_100000210202 [0,2,0,0,0,0|1,0,1]=4 1438 B7R0.3 CCOCC(C)OC 34a_100000690652_100000210202 [0,2,0,0,0,0|2,0,0]=4 1439 B7R0.3 CCOCC(C)OC 34a_100000718985_200000210301 [0,2,0,0,0,0|2,0,0]=4 1440 B7R0.3 CCOCC(C)OC 7a_100000718985_200000210301 [0,2,0,0,0,0|2,0,0]=4 1441 B7R0.3 CCOCC(C)O[13CH3] 34a_100000718985_200025704644 [0,2,0,0,0,0|2,0,0]=4 1442 B7R0.3 CCOCC(C)O[13CH3] 7a_100000718985_200025704644 [0,2,0,0,0,0|2,0,0]=4 1443 B7R0.3 CCOC[C@@H](C)CC 34a_100121572206_100009816398 [0,2,0,0,0,0|0,0,2]=4 1444 B7R0.3 CCOC[C@@H](C)CC 7a_100009816381_100000210202 [0,2,0,0,0,0|0,0,2]=4 1445 B7R0.3 CCOC[C@@H](C)CO 34a_100121572206_100000059175 [0,2,0,0,0,0|0,0,2]=4 1446 B7R0.3 CCSCC(C)CC 62a_100000210202_100000748023 [0,2,0,0,0,0|0,1,1]=4 1447 B7R0.3 CCSCC(C)CC 62a_100000748023_100000210202 [0,2,0,0,0,0|0,1,1]=4 1448 B7R0.3 CCSCC(C)NC 270004a_106832991635_200011216171 [0,2,0,0,0,0|2,0,0]=4 1449 B7R0.3 CCSC[C@@H](C)CC 62a_100000210202_100009816398 [0,2,0,0,0,0|0,1,1]=4 1450 B7R0.3 CCSC[C@@H](C)CC 62a_100009816398_100000210202 [0,2,0,0,0,0|0,1,1]=4 1451 B7R0.3 CCSC[C@@H](C)CO 62a_100000059175_100000210202 [0,2,0,0,0,0|0,0,2]=4 1452 B7R0.3 CCSC[C@@H](C)CO 62a_100000210202_100000059175 [0,2,0,0,0,0|0,0,2]=4 1453 B7R0.3 CC[C@H](C)COCF 7a_100009816381_100015361967 [0,2,0,0,0,0|0,0,2]=4 1454 B7R0.3 CC[C@H](C)CSCF 62a_100009816398_100015361967 [0,2,0,0,0,0|0,1,1]=4 1455 B7R0.3 CC[C@H](C)CSCF 62a_100015361967_100009816398 [0,2,0,0,0,0|0,1,1]=4 1456 B7R0.3 CNC(C)CCOC 270004a_106832991635_100000742357 [0,2,0,0,0,0|2,0,0]=4 1457 B7R0.3 CNC(C)CCSC 270004a_106832991635_100011217047 [0,2,0,0,0,0|2,0,0]=4 1458 B7R0.3 CNCCC(C)CO 2230a_106354213184_200000210301 [0,2,0,0,0,0|0,0,2]=4 1459 B7R0.3 CNCCC(C)CO 34a_106354213184_200000210301 [0,2,0,0,0,0|0,0,2]=4 1460 B7R0.3 COC(C)CCCCl 34a_200000718107_200000210301 [0,2,0,0,0,0|2,0,0]=4 1461 B7R0.3 COC(C)CCCCl 7a_200000718107_200000210301 [0,2,0,0,0,0|2,0,0]=4 1462 B7R0.3 COC(C)CCO[13CH3] 7a_100000764861_200025704644 [0,2,0,0,0,0|2,0,0]=4 1463 B7R0.3 COC(C)COCF 34a_100000690652_100015361967 [0,2,0,0,0,0|2,0,0]=4 1464 B7R0.3 COC(C)SCC=O 62a_100009879195_200015260668 [0,2,0,0,0,0|1,0,0]=3 1465 B7R0.3 COC(C)SCC=O 62a_200015260668_100009879195 [0,2,0,0,0,0|1,0,0]=3 1466 B7R0.3 COC(C)SCCF 62a_100009879195_100011217306 [0,2,0,0,0,0|2,0,0]=4 1467 B7R0.3 COC(C)SCCF 62a_100011217306_100009879195 [0,2,0,0,0,0|2,0,0]=4 1468 B7R0.3 COC(C)SCCO 62a_100000211926_100009879195 [0,2,0,0,0,0|2,0,0]=4 1469 B7R0.3 COC(C)SCCO 62a_100009879195_100000211926 [0,2,0,0,0,0|2,0,0]=4 1470 B7R0.3 COC(C)SCSC 62a_100009879195_100011218213 [0,2,0,0,0,0|2,0,0]=4 1471 B7R0.3 COC(C)SCSC 62a_100011218213_100009879195 [0,2,0,0,0,0|2,0,0]=4 1472 B7R0.3 COCCC(C)OC 7a_100000764861_200000210301 [0,2,0,0,0,0|2,0,0]=4 1473 B7R0.3 COCNC(C)C#N 2230a_100000737613_100000766300 [0,2,0,0,0,0|1,0,1]=4 1474 B7R0.3 COCN[C@H](C)CO 2230a_100000737577_100000766300 [0,2,0,0,0,0|0,0,2]=4 1475 B7R0.3 COCSC(C)C#N 62a_100000703298_100000766300 [0,2,0,0,0,0|1,0,1]=4 1476 B7R0.3 COCSC(C)C#N 62a_100000766300_100000703298 [0,2,0,0,0,0|1,0,1]=4 1477 B7R0.3 COCSC(C)CO 62a_100012180447_100000766300 [0,2,0,0,0,0|0,0,2]=4 1478 B7R0.3 COCSC(C)OC 62a_100000766300_100009879195 [0,2,0,0,0,0|2,0,0]=4 1479 B7R0.3 COCSC(C)OC 62a_100009879195_100000766300 [0,2,0,0,0,0|2,0,0]=4 1480 B7R0.3 COCS[C@H](C)CO 62a_100000766300_100016084084 [0,2,0,0,0,0|0,0,2]=4 1481 B7R0.3 COCS[C@H](C)CO 62a_100016084084_100000766300 [0,2,0,0,0,0|0,0,2]=4 1482 B7R0.3 CSCNC(C)C#N 2230a_100000737613_100011218213 [0,2,0,0,0,0|1,0,1]=4 1483 B7R0.3 CSCN[C@H](C)CO 2230a_100000737577_100011218213 [0,2,0,0,0,0|0,0,2]=4 1484 B7R0.3 CSCOC(C)C#N 34a_100011218135_100011218213 [0,2,0,0,0,0|1,0,1]=4 1485 B7R0.3 CSCOC(C)CF 34a_100016041109_100011218213 [0,2,0,0,0,0|1,0,1]=4 1486 B7R0.3 CSCOC(C)CN 34a_100000210904_100011218213 [0,2,0,0,0,0|1,0,1]=4 1487 B7R0.3 CSCSC(C)C#N 62a_100000703298_100011218213 [0,2,0,0,0,0|1,0,1]=4 1488 B7R0.3 CSCSC(C)C#N 62a_100011218213_100000703298 [0,2,0,0,0,0|1,0,1]=4 1489 B7R0.3 CSCSC(C)CO 62a_100012180447_100011218213 [0,2,0,0,0,0|0,0,2]=4 1490 B7R0.3 CSCS[C@H](C)CO 62a_100011218213_100016084084 [0,2,0,0,0,0|0,0,2]=4 1491 B7R0.3 CSCS[C@H](C)CO 62a_100016084084_100011218213 [0,2,0,0,0,0|0,0,2]=4 1492 B7R0.3 C[C@@H](CO)CSCF 62a_100000059175_100015361967 [0,2,0,0,0,0|0,0,2]=4 1493 B7R0.3 C[C@@H](CO)CSCF 62a_100015361967_100000059175 [0,2,0,0,0,0|0,0,2]=4 1494 B7R0.3 C[C@H](CO)NCC=O 2230a_100000737577_200015260668 [0,2,0,0,0,0|1,0,0]=3 1495 B7R0.3 C[C@H](CO)NCCF 2230a_100000737577_100011217306 [0,2,0,0,0,0|0,0,2]=4 1496 B7R0.3 C[C@H](CO)NCCO 2230a_100000737577_100000211926 [0,2,0,0,0,0|0,0,2]=4 1497 B7R0.3 C[C@H](CO)SCC=O 62a_100016084084_200015260668 [0,2,0,0,0,0|1,0,0]=3 1498 B7R0.3 C[C@H](CO)SCC=O 62a_200015260668_100016084084 [0,2,0,0,0,0|1,0,0]=3 1499 B7R0.3 C[C@H](CO)SCCF 62a_100011217306_100016084084 [0,2,0,0,0,0|0,0,2]=4 1500 B7R0.3 C[C@H](CO)SCCF 62a_100016084084_100011217306 [0,2,0,0,0,0|0,0,2]=4 1501 B7R0.3 C[C@H](CO)SCCO 62a_100000211926_100016084084 [0,2,0,0,0,0|0,0,2]=4 1502 B7R0.3 C[C@H](CO)SCCO 62a_100016084084_100000211926 [0,2,0,0,0,0|0,0,2]=4 1503 B7R0.5 C#CCN(C)C(=O)C 11a_100000225692_100015343762 [0,2,0,0,0,0|1,0,1]=4 1504 B7R0.5 C#CCN(C)C(=O)C 1626a_100000225692_100015343762 [0,2,0,0,0,0|1,0,1]=4 1505 B7R0.5 C#CCN(C)C(=O)C 527a_100000225692_100103153847 [0,2,0,0,0,0|1,0,1]=4 1506 B7R0.5 C=C(C)C(C)NCC 269862a_100015525214_100011216138 [0,2,0,0,0,0|1,0,0]=3 1507 B7R0.5 C=CCC(C)C(=O)C 1458a_100011216819_200000210301 [0,2,0,0,0,0|0,0,1]=3 1508 B7R0.5 C=CCC(C)C(=O)[13CH3] 1458a_100011216819_200025704644 [0,2,0,0,0,0|0,0,1]=3 1509 B7R0.5 C=CCN(C)C(=O)C 11a_100000225617_100015343762 [0,2,0,0,0,0|1,0,1]=4 1510 B7R0.5 C=CCN(C)C(=O)C 1626a_100000225617_100015343762 [0,2,0,0,0,0|1,0,1]=4 1511 B7R0.5 C=CCN(C)C(=O)C 240690a_100000225617_100015343762 [0,2,0,0,0,0|1,0,1]=4 1512 B7R0.5 C=CCN(C)C(=O)C 527a_100000225617_100103153847 [0,2,0,0,0,0|1,0,1]=4 1513 B7R0.5 C=CCN(C)C(C)C 2230a_100000225617_100000210206 [0,2,0,0,0,0|2,0,0]=4 1514 B7R0.5 C=CCN(C)C(C)C 2230a_100000742772_200000210301 [0,2,0,0,0,0|2,0,0]=4 1515 B7R0.5 C=CCN(C)C(C)C 269982a_100000225617_100000210206 [0,2,0,0,0,0|2,0,0]=4 1516 B7R0.5 C=CCN(C)C(C)C 269982a_100000742772_200000210301 [0,2,0,0,0,0|2,0,0]=4 1517 B7R0.5 C=CCN(C)C(C)C 269982a_200000211004_100000210623 [0,2,0,0,0,0|2,0,0]=4 1518 B7R0.5 C=CCN([13CH3])C(C)C 2230a_100000742772_200025704644 [0,2,0,0,0,0|2,0,0]=4 1519 B7R0.5 C=CCN([13CH3])C(C)C 269982a_100000742772_200025704644 [0,2,0,0,0,0|2,0,0]=4 1520 B7R0.5 CC(=O)C(=O)CS[13CH3] 62a_100011261029_200025704644 [0,2,0,0,0,0|1,0,1]=4 1521 B7R0.5 CC(=O)C(=O)CS[13CH3] 62a_200025704644_100011261029 [0,2,0,0,0,0|1,0,1]=4 1522 B7R0.5 CC(=O)C(C)CC#N 1458a_100000070787_100009813641 [0,2,0,0,0,0|0,0,1]=3 1523 B7R0.5 CC(=O)C(C)CCO 1458a_100000070787_100009893172 [0,2,0,0,0,0|0,0,0]=2 1524 B7R0.5 CC(=O)C(C)CO[13CH3] 34a_100000032740_200025704644 [0,2,0,0,0,0|0,0,0]=2 1525 B7R0.5 CC(=O)C(C)CO[13CH3] 7a_100000032740_200025704644 [0,2,0,0,0,0|0,0,0]=2 1526 B7R0.5 CC(=O)C(C)OCF 34a_100000212229_100015361967 [0,2,0,0,0,0|1,0,0]=3 1527 B7R0.5 CC(=O)C(C)SCF 62a_100009814033_100015361967 [0,2,0,0,0,0|1,0,0]=3 1528 B7R0.5 CC(=O)C(C)SCF 62a_100015361967_100009814033 [0,2,0,0,0,0|1,0,0]=3 1529 B7R0.5 CC(=O)N(C)CC#N 11a_100000748184_100015343762 [0,2,0,0,0,0|1,0,1]=4 1530 B7R0.5 CC(=O)N(C)CC#N 1626a_100000748184_100015343762 [0,2,0,0,0,0|1,0,1]=4 1531 B7R0.5 CC(=O)N(C)CCO 240690a_100000210263_100015343762 [0,2,0,0,0,0|1,0,0]=3 1532 B7R0.5 CC(=O)N(C)CCO 527a_100000210263_100103153847 [0,2,0,0,0,0|1,0,0]=3 1533 B7R0.5 CC(C)C(C)OCF 7a_100000748068_100015361967 [0,2,0,0,0,0|1,0,1]=4 1534 B7R0.5 CC(C)N(C)CC=O 269982a_200000211004_200015260668 [0,2,0,0,0,0|1,0,0]=3 1535 B7R0.5 CC(CCO)N(C)C 2230a_100000731037_200000210301 [0,2,0,0,0,0|2,0,0]=4 1536 B7R0.5 CC(CCO)N(C)C 2230a_100102631434_100009893172 [0,2,0,0,0,0|2,0,0]=4 1537 B7R0.5 CC(CCO)N(C)C 269982a_100000731037_200000210301 [0,2,0,0,0,0|2,0,0]=4 1538 B7R0.5 CC(CCO)N(C)C 269982a_100102631434_100009893172 [0,2,0,0,0,0|2,0,0]=4 1539 B7R0.5 CC(CCO)N(C)[13CH3] 2230a_100000731037_200025704644 [0,2,0,0,0,0|2,0,0]=4 1540 B7R0.5 CC(CCO)N(C)[13CH3] 269982a_100000731037_200025704644 [0,2,0,0,0,0|2,0,0]=4 1541 B7R0.5 CC(CN[13CH3])C(=O)O 269956a_100000749485_200025704644 [0,2,0,0,0,0|0,0,0]=2 1542 B7R0.5 CC(CO[13CH3])[N+](=O)[O-] 34a_100000039676_200025704644 [0,2,0,0,0,0|1,0,0]=3 1543 B7R0.5 CC(CO[13CH3])[N+](=O)[O-] 7a_100000039676_200025704644 [0,2,0,0,0,0|1,0,0]=3 1544 B7R0.5 CC(SCF)C(=O)N 62a_100000702099_100015361967 [0,2,0,0,0,0|1,0,0]=3 1545 B7R0.5 CC(SCF)C(=O)N 62a_100015361967_100000702099 [0,2,0,0,0,0|1,0,0]=3 1546 B7R0.5 CC/C=C(\C)/C(=O)C 1458a_100016988807_200000210301 [0,2,0,0,0,0|0,0,1]=3 1547 B7R0.5 CC/C=C(\C)/C(=O)[13CH3] 1458a_100016988807_200025704644 [0,2,0,0,0,0|0,0,1]=3 1548 B7R0.5 CCCC(C)C(=O)C 1458a_100000070787_100000766640 [0,2,0,0,0,0|0,0,0]=2 1549 B7R0.5 CCCC(C)C(=O)C 1458a_100000210906_200000210301 [0,2,0,0,0,0|0,0,0]=2 1550 B7R0.5 CCCC(C)C(=O)[13CH3] 1458a_100000210906_200025704644 [0,2,0,0,0,0|0,0,0]=2 1551 B7R0.5 CCCC(C)N(C)C 2230a_100102631434_100000766640 [0,2,0,0,0,0|2,0,0]=4 1552 B7R0.5 CCCC(C)N(C)C 269982a_100102631434_100000766640 [0,2,0,0,0,0|2,0,0]=4 1553 B7R0.5 CCCC(C)N(C)C 270004a_100102631434_100000211909 [0,2,0,0,0,0|2,0,0]=4 1554 B7R0.5 CCCN(C)C(=O)C 11a_100000747261_100015343762 [0,2,0,0,0,0|1,0,0]=3 1555 B7R0.5 CCCN(C)C(=O)C 1626a_100000747261_100015343762 [0,2,0,0,0,0|1,0,0]=3 1556 B7R0.5 CCCN(C)C(=O)C 240690a_100000747261_100015343762 [0,2,0,0,0,0|1,0,0]=3 1557 B7R0.5 CCCN(C)C(=O)C 527a_100000747261_100103153847 [0,2,0,0,0,0|1,0,0]=3 1558 B7R0.5 CCC[C@H](O)C(=O)C 1458a_100009822183_200000210301 [0,2,0,0,0,0|1,0,0]=3 1559 B7R0.5 CCC[C@H](O)C(=O)[13CH3] 1458a_100009822183_200025704644 [0,2,0,0,0,0|1,0,0]=3 1560 B7R0.5 CCNC(=O)C(=O)C 1458a_200011297158_200000210301 [0,2,0,0,0,0|1,0,1]=4 1561 B7R0.5 CCNC(=O)C(=O)N 240690a_100015525214_100011215815 [0,2,0,0,0,0|1,0,1]=4 1562 B7R0.5 CCNC(=O)C(=O)[13CH3] 1458a_200011297158_200025704644 [0,2,0,0,0,0|1,0,1]=4 1563 B7R0.5 CCNC(C)C(=O)C 2230a_100015525214_100009814033 [0,2,0,0,0,0|0,0,0]=2 1564 B7R0.5 CCNC(C)C(=O)N 2230a_100015525214_100000702099 [0,2,0,0,0,0|0,0,0]=2 1565 B7R0.5 CCNC(C)C(C)C 2230a_100000211541_100000210202 [0,2,0,0,0,0|1,0,1]=4 1566 B7R0.5 CCNC(F)C(=O)N 2230a_100015525214_100009813875 [0,2,0,0,0,0|1,0,0]=3 1567 B7R0.5 CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210202 [0,2,0,0,0,0|0,0,0]=2 1568 B7R0.5 CCN[C@H](C)C(=O)N 2230a_100000119354_100000210202 [0,2,0,0,0,0|0,0,0]=2 1569 B7R0.5 CCN[C@H](C)C(=O)N 34a_100000119354_100000210202 [0,2,0,0,0,0|0,0,0]=2 1570 B7R0.5 CCOC(C)C(=O)C 1458a_100000739345_200000210301 [0,2,0,0,0,0|0,0,0]=2 1571 B7R0.5 CCOC(C)C(=O)C 34a_100000212229_100000210202 [0,2,0,0,0,0|0,0,0]=2 1572 B7R0.5 CCOC(C)C(=O)N 34a_100121572206_100000702099 [0,2,0,0,0,0|0,0,0]=2 1573 B7R0.5 CCOC(C)C(=O)[13CH3] 1458a_100000739345_200025704644 [0,2,0,0,0,0|0,0,0]=2 1574 B7R0.5 CCOC(C)C(C)C 7a_100000748068_100000210202 [0,2,0,0,0,0|1,0,1]=4 1575 B7R0.5 CCOC(F)C(=O)N 34a_100121572206_100009813875 [0,2,0,0,0,0|1,0,0]=3 1576 B7R0.5 CCOC(F)C(=O)[O-] 34a_100121572206_100020610796 [0,2,0,0,0,0|1,0,0]=3 1577 B7R0.5 CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210202 [0,2,0,0,0,0|0,0,0]=2 1578 B7R0.5 CCO[C@H](C)C(=O)N 34a_100000731257_100000210202 [0,2,0,0,0,0|0,0,0]=2 1579 B7R0.5 CCO[C@H](C)C(=O)N 7a_100000731257_100000210202 [0,2,0,0,0,0|0,0,0]=2 1580 B7R0.5 CCSC(C)C(=O)C 1458a_100000230601_200000210301 [0,2,0,0,0,0|0,0,0]=2 1581 B7R0.5 CCSC(C)C(=O)C 62a_100000210202_100009814033 [0,2,0,0,0,0|0,0,0]=2 1582 B7R0.5 CCSC(C)C(=O)C 62a_100009814033_100000210202 [0,2,0,0,0,0|0,0,0]=2 1583 B7R0.5 CCSC(C)C(=O)N 62a_100000210202_100000702099 [0,2,0,0,0,0|0,0,0]=2 1584 B7R0.5 CCSC(C)C(=O)N 62a_100000702099_100000210202 [0,2,0,0,0,0|0,0,0]=2 1585 B7R0.5 CCSC(C)C(=O)[13CH3] 1458a_100000230601_200025704644 [0,2,0,0,0,0|0,0,0]=2 1586 B7R0.5 CCSC(F)C(=O)N 62a_100000210202_100009813875 [0,2,0,0,0,0|1,0,0]=3 1587 B7R0.5 CCSC(F)C(=O)N 62a_100009813875_100000210202 [0,2,0,0,0,0|1,0,0]=3 1588 B7R0.5 CCSC(F)C(=O)[O-] 62a_100000210202_100020610796 [0,2,0,0,0,0|1,0,0]=3 1589 B7R0.5 CCSC(F)C(=O)[O-] 62a_100020610796_100000210202 [0,2,0,0,0,0|1,0,0]=3 1590 B7R0.5 CNCC(=O)C(=O)C 34a_100102657272_100011261029 [0,2,0,0,0,0|1,0,1]=4 1591 B7R0.5 CNCC(C)C(=O)O 269956a_100000749485_200000210301 [0,2,0,0,0,0|0,0,0]=2 1592 B7R0.5 CNCC(F)C(=O)O 269956a_100000084737_200000210301 [0,2,0,0,0,0|1,0,0]=3 1593 B7R0.5 CO/N=C(\C)/C(=O)C 1458a_100160996864_200000210301 [0,2,0,0,0,0|1,0,1]=4 1594 B7R0.5 CO/N=C(\C)/C(=O)[13CH3] 1458a_100160996864_200025704644 [0,2,0,0,0,0|1,0,1]=4 1595 B7R0.5 COCC(=O)C(=O)C 34a_100138415774_100011261029 [0,2,0,0,0,0|1,0,1]=4 1596 B7R0.5 COCC(C)C(=O)C 1458a_100000070787_100000765312 [0,2,0,0,0,0|0,0,0]=2 1597 B7R0.5 COCC(C)C(=O)C 1458a_100000751857_200000210301 [0,2,0,0,0,0|0,0,0]=2 1598 B7R0.5 COCC(C)C(=O)C 34a_100000032740_200000210301 [0,2,0,0,0,0|0,0,0]=2 1599 B7R0.5 COCC(C)C(=O)C 7a_100000032740_200000210301 [0,2,0,0,0,0|0,0,0]=2 1600 B7R0.5 COCC(C)C(=O)[13CH3] 1458a_100000751857_200025704644 [0,2,0,0,0,0|0,0,0]=2 1601 B7R0.5 COCC(C)N(C)C 2230a_100102631434_100000765312 [0,2,0,0,0,0|2,0,0]=4 1602 B7R0.5 COCC(C)N(C)C 269982a_100102631434_100000765312 [0,2,0,0,0,0|2,0,0]=4 1603 B7R0.5 COCC(C)N(C)C 270004a_100102631434_100000749346 [0,2,0,0,0,0|2,0,0]=4 1604 B7R0.5 COCC(C)[N+](=O)[O-] 34a_100000039676_200000210301 [0,2,0,0,0,0|1,0,0]=3 1605 B7R0.5 COCC(C)[N+](=O)[O-] 7a_100000039676_200000210301 [0,2,0,0,0,0|1,0,0]=3 1606 B7R0.5 COC[C@H](N)C(=O)N 34a_100000729942_200000210301 [0,2,0,0,0,0|1,0,0]=3 1607 B7R0.5 CSCC(=O)C(=O)C 62a_100011261029_200000210301 [0,2,0,0,0,0|1,0,1]=4 1608 B7R0.5 CSCC(=O)C(=O)C 62a_200000210301_100011261029 [0,2,0,0,0,0|1,0,1]=4 1609 B7R0.5 CSCC(C)C(=O)C 1458a_100000753918_200000210301 [0,2,0,0,0,0|0,0,0]=2 1610 B7R0.5 CSCC(C)C(=O)[13CH3] 1458a_100000753918_200025704644 [0,2,0,0,0,0|0,0,0]=2 1611 B7R0.5 CSCC(C)N(C)C 270004a_100102631434_100011216314 [0,2,0,0,0,0|2,0,0]=4 1612 B7R0.5 C[C@@H](NCF)C(=O)N 34a_100000119354_100015361967 [0,2,0,0,0,0|1,0,0]=3 1613 B7R0.5 C[C@@H](OCF)C(=O)N 34a_100000731257_100015361967 [0,2,0,0,0,0|1,0,0]=3 1614 B7R0.5 C[C@@H](OCF)C(=O)N 7a_100000731257_100015361967 [0,2,0,0,0,0|1,0,0]=3 1615 B7R0.5 C[C@H](NCF)C(=O)O 269956a_100000743915_100015361967 [0,2,0,0,0,0|1,0,0]=3 1616 B7R0.5 C[C@H](OCF)C(=O)[O-] 7a_217856618621_100015361967 [0,2,0,0,0,0|1,0,0]=3 1617 B7R0.5 NC(=O)C(F)SCF 62a_100009813875_100015361967 [0,2,0,0,0,0|2,0,0]=4 1618 B7R0.5 NC(=O)C(F)SCF 62a_100015361967_100009813875 [0,2,0,0,0,0|2,0,0]=4 1619 B7R0.5 O=C([O-])C(F)SCF 62a_100015361967_100020610796 [0,2,0,0,0,0|2,0,0]=4 1620 B7R0.5 O=C([O-])C(F)SCF 62a_100020610796_100015361967 [0,2,0,0,0,0|2,0,0]=4 1621 B7R0.5 [13CH3]NCC(F)C(=O)O 269956a_100000084737_200025704644 [0,2,0,0,0,0|1,0,0]=3 1622 B7R0.5 [13CH3]OC[C@H](N)C(=O)N 34a_100000729942_200025704644 [0,2,0,0,0,0|1,0,0]=3 1623 B7R0.7 C#CCC(C)OCC 34a_100000685586_100000210202 [0,2,0,0,0,0|1,0,1]=4 1624 B7R0.7 C#CCC(C)OCC 7a_100000685586_100000210202 [0,2,0,0,0,0|1,0,1]=4 1625 B7R0.7 C#CCN(C)CC=O 2230a_100000225692_200015260668 [0,2,0,0,0,0|1,0,1]=4 1626 B7R0.7 C#CCN(C)CC=O 34a_100000225692_200009817547 [0,2,0,0,0,0|1,0,1]=4 1627 B7R0.7 C/C=C/C(C)OCC 34a_200102604097_100000210202 [0,2,0,0,0,0|1,0,0]=3 1628 B7R0.7 C/C=C/C(C)OCF 34a_200102604097_100015361967 [0,2,0,0,0,0|2,0,0]=4 1629 B7R0.7 C=CCC(C)COC 34a_100009832082_200000210301 [0,2,0,0,0,0|1,0,0]=3 1630 B7R0.7 C=CCC(C)COC 7a_100009832082_200000210301 [0,2,0,0,0,0|1,0,0]=3 1631 B7R0.7 C=CCC(C)CO[13CH3] 34a_100009832082_200025704644 [0,2,0,0,0,0|1,0,0]=3 1632 B7R0.7 C=CCC(C)CO[13CH3] 7a_100009832082_200025704644 [0,2,0,0,0,0|1,0,0]=3 1633 B7R0.7 C=CCN(C)CC=O 2230a_100000225617_200015260668 [0,2,0,0,0,0|1,0,1]=4 1634 B7R0.7 C=CCN(C)CC=O 269982a_100000225617_200015260668 [0,2,0,0,0,0|1,0,1]=4 1635 B7R0.7 C=CCN(C)CCC 2230a_100000225617_100000210303 [0,2,0,0,0,0|2,0,0]=4 1636 B7R0.7 C=CCN(C)CCC 2230a_100000747261_100000210623 [0,2,0,0,0,0|2,0,0]=4 1637 B7R0.7 C=CCN(C)CCC 269982a_100000225617_100000210303 [0,2,0,0,0,0|2,0,0]=4 1638 B7R0.7 C=CCN(C)CCC 269982a_100000747261_100000210623 [0,2,0,0,0,0|2,0,0]=4 1639 B7R0.7 C=CCN(C)CCF 2230a_100000225617_100011217306 [0,2,0,0,0,0|2,0,0]=4 1640 B7R0.7 C=CCN(C)CCF 269982a_100000225617_100011217306 [0,2,0,0,0,0|2,0,0]=4 1641 B7R0.7 C=CCN(C)CCO 2230a_100000210263_100000210623 [0,2,0,0,0,0|2,0,0]=4 1642 B7R0.7 C=CCN(C)CCO 2230a_100000225617_100000211926 [0,2,0,0,0,0|2,0,0]=4 1643 B7R0.7 C=CCN(C)CCO 269982a_100000210263_100000210623 [0,2,0,0,0,0|2,0,0]=4 1644 B7R0.7 C=CCN(C)CCO 269982a_100000225617_100000211926 [0,2,0,0,0,0|2,0,0]=4 1645 B7R0.7 C=CCN(C)COC 2230a_100000225617_100000766300 [0,2,0,0,0,0|2,0,0]=4 1646 B7R0.7 C=CCN(C)COC 269982a_100000225617_100000766300 [0,2,0,0,0,0|2,0,0]=4 1647 B7R0.7 C=CCN(C)CSC 2230a_100000225617_100011218213 [0,2,0,0,0,0|2,0,0]=4 1648 B7R0.7 C=CCN(C)CSC 269982a_100000225617_100011218213 [0,2,0,0,0,0|2,0,0]=4 1649 B7R0.7 C=CC[C@@H](C)OCC 34a_100000731007_100000210202 [0,2,0,0,0,0|1,0,0]=3 1650 B7R0.7 C=CC[C@@H](C)OCC 7a_100000731007_100000210202 [0,2,0,0,0,0|1,0,0]=3 1651 B7R0.7 C=CC[C@@H](C)OCF 34a_100000731007_100015361967 [0,2,0,0,0,0|2,0,0]=4 1652 B7R0.7 C=CC[C@@H](C)OCF 7a_100000731007_100015361967 [0,2,0,0,0,0|2,0,0]=4 1653 B7R0.7 C=CC[C@@H](N)COC 34a_100020615467_200000210301 [0,2,0,0,0,0|2,0,0]=4 1654 B7R0.7 C=CC[C@@H](N)CO[13CH3] 34a_100020615467_200025704644 [0,2,0,0,0,0|2,0,0]=4 1655 B7R0.7 CC#CC(C)OCC 34a_100011216543_100000210202 [0,2,0,0,0,0|1,0,1]=4 1656 B7R0.7 CC(CCBr)OCF 34a_100012276601_100015361967 [0,2,0,0,0,0|1,0,1]=4 1657 B7R0.7 CC(CCN)CO[13CH3] 34a_106354213184_200025704644 [0,2,0,0,0,0|0,0,2]=4 1658 B7R0.7 CC(CCO)SCF 62a_100009893172_100015361967 [0,2,0,0,0,0|1,0,1]=4 1659 B7R0.7 CC(CCO)SCF 62a_100015361967_100009893172 [0,2,0,0,0,0|1,0,1]=4 1660 B7R0.7 CCCC(C)CNC 2230a_106832991635_100011216630 [0,2,0,0,0,0|1,0,1]=4 1661 B7R0.7 CCCC(C)CNC 270004a_106832991635_100000243154 [0,2,0,0,0,0|1,0,1]=4 1662 B7R0.7 CCCC(C)CNC 34a_100102657272_100011216630 [0,2,0,0,0,0|1,0,1]=4 1663 B7R0.7 CCCC(C)CNC 7a_106832991635_100011216630 [0,2,0,0,0,0|1,0,1]=4 1664 B7R0.7 CCCC(C)COC 34a_100000688023_200000210301 [0,2,0,0,0,0|0,0,2]=4 1665 B7R0.7 CCCC(C)COC 34a_100138415774_100011216630 [0,2,0,0,0,0|0,0,2]=4 1666 B7R0.7 CCCC(C)COC 7a_100000688023_200000210301 [0,2,0,0,0,0|0,0,2]=4 1667 B7R0.7 CCCC(C)CO[13CH3] 34a_100000688023_200025704644 [0,2,0,0,0,0|0,0,2]=4 1668 B7R0.7 CCCC(C)CO[13CH3] 7a_100000688023_200025704644 [0,2,0,0,0,0|0,0,2]=4 1669 B7R0.7 CCCC(C)CSC 62a_100011216630_200000210301 [0,2,0,0,0,0|0,1,1]=4 1670 B7R0.7 CCCC(C)CSC 62a_200000210301_100011216630 [0,2,0,0,0,0|0,1,1]=4 1671 B7R0.7 CCCC(C)CS[13CH3] 62a_100011216630_200025704644 [0,2,0,0,0,0|0,1,1]=4 1672 B7R0.7 CCCC(C)CS[13CH3] 62a_200025704644_100011216630 [0,2,0,0,0,0|0,1,1]=4 1673 B7R0.7 CCCC(C)NCC 2230a_100000741246_100000210202 [0,2,0,0,0,0|1,0,1]=4 1674 B7R0.7 CCCC(C)NCC 2230a_100015525214_100000766640 [0,2,0,0,0,0|1,0,1]=4 1675 B7R0.7 CCCC(C)NCC 270004a_100015525214_100000211909 [0,2,0,0,0,0|1,0,1]=4 1676 B7R0.7 CCCC(C)OCC 34a_100000764384_100000210202 [0,2,0,0,0,0|1,0,1]=4 1677 B7R0.7 CCCC(C)OCC 34a_100121572206_100000766640 [0,2,0,0,0,0|1,0,1]=4 1678 B7R0.7 CCCC(C)OCC 7a_100000764384_100000210202 [0,2,0,0,0,0|1,0,1]=4 1679 B7R0.7 CCCC(C)OCF 34a_100000764384_100015361967 [0,2,0,0,0,0|1,0,1]=4 1680 B7R0.7 CCCC(C)OCF 7a_100000764384_100015361967 [0,2,0,0,0,0|1,0,1]=4 1681 B7R0.7 CCCC(C)SCC 62a_100000210202_100000766640 [0,2,0,0,0,0|1,0,1]=4 1682 B7R0.7 CCCC(C)SCC 62a_100000766640_100000210202 [0,2,0,0,0,0|1,0,1]=4 1683 B7R0.7 CCCC(C)SCF 62a_100000766640_100015361967 [0,2,0,0,0,0|1,0,1]=4 1684 B7R0.7 CCCC(C)SCF 62a_100015361967_100000766640 [0,2,0,0,0,0|1,0,1]=4 1685 B7R0.7 CCCN(C)CC=O 2230a_100000747261_200015260668 [0,2,0,0,0,0|1,0,0]=3 1686 B7R0.7 CCCN(C)CC=O 269982a_100000747261_200015260668 [0,2,0,0,0,0|1,0,0]=3 1687 B7R0.7 CCNC(C)CC#N 2230a_100015525214_100009813641 [0,2,0,0,0,0|1,0,1]=4 1688 B7R0.7 CCNC(C)CCO 2230a_100015525214_100009893172 [0,2,0,0,0,0|0,0,2]=4 1689 B7R0.7 CCNC(C)COC 2230a_100015525214_100000765312 [0,2,0,0,0,0|0,0,2]=4 1690 B7R0.7 CCNC(C)COC 270004a_100015525214_100000749346 [0,2,0,0,0,0|0,0,2]=4 1691 B7R0.7 CCNC(C)CSC 270004a_100015525214_100011216314 [0,2,0,0,0,0|0,1,1]=4 1692 B7R0.7 CCN[C@@H](C)CC#N 2230a_100016994482_100000210202 [0,2,0,0,0,0|1,0,1]=4 1693 B7R0.7 CCN[C@H](C)CCO 2230a_100000706166_100000210202 [0,2,0,0,0,0|0,0,2]=4 1694 B7R0.7 CCN[C@H](C)CCO 34a_100000706166_100000210202 [0,2,0,0,0,0|0,0,2]=4 1695 B7R0.7 CCN[C@H](C)COC 2230a_100000764878_100000210202 [0,2,0,0,0,0|0,0,2]=4 1696 B7R0.7 CCOC(C)CCBr 34a_100012276601_100000210202 [0,2,0,0,0,0|1,0,1]=4 1697 B7R0.7 CCOC(C)CCO 34a_100121572206_100009893172 [0,2,0,0,0,0|0,0,2]=4 1698 B7R0.7 CCOC(C)COC 34a_100121572206_100000765312 [0,2,0,0,0,0|0,0,2]=4 1699 B7R0.7 CCO[C@H](C)COC 34a_100011934205_100000210202 [0,2,0,0,0,0|0,0,2]=4 1700 B7R0.7 CCSC(C)CC#N 62a_100000210202_100009813641 [0,2,0,0,0,0|1,0,1]=4 1701 B7R0.7 CCSC(C)CC#N 62a_100009813641_100000210202 [0,2,0,0,0,0|1,0,1]=4 1702 B7R0.7 CCSC(C)CCO 62a_100000210202_100009893172 [0,2,0,0,0,0|0,0,2]=4 1703 B7R0.7 CCSC(C)CCO 62a_100009893172_100000210202 [0,2,0,0,0,0|0,0,2]=4 1704 B7R0.7 CCSC(C)COC 62a_100000210202_100000765312 [0,2,0,0,0,0|0,0,2]=4 1705 B7R0.7 CCSC(C)COC 62a_100000765312_100000210202 [0,2,0,0,0,0|0,0,2]=4 1706 B7R0.7 CN(CC#N)CC=O 2230a_100000748184_200015260668 [0,2,0,0,0,0|1,0,1]=4 1707 B7R0.7 CN(CC=O)CCO 2230a_100000210263_200015260668 [0,2,0,0,0,0|1,0,0]=3 1708 B7R0.7 CN(CC=O)CCO 269982a_100000210263_200015260668 [0,2,0,0,0,0|1,0,0]=3 1709 B7R0.7 COCC(C)CCN 34a_106354213184_200000210301 [0,2,0,0,0,0|0,0,2]=4 1710 B7R0.7 COCC(C)SCF 62a_100000765312_100015361967 [0,2,0,0,0,0|1,0,1]=4 1711 B7R0.7 COCC(C)SCF 62a_100015361967_100000765312 [0,2,0,0,0,0|1,0,1]=4 1712 B7R0.7 COC[C@@H](C)OCF 34a_100011934205_100015361967 [0,2,0,0,0,0|1,0,1]=4 1713 B7R0.7 C[C@H](CCO)NCF 34a_100000706166_100015361967 [0,2,0,0,0,0|1,0,1]=4 1714 B7R0.10 C#CC(=O)C(C)C#C 1458a_100000211873_200000035995 [0,2,0,0,0,0|0,0,2]=4 1715 B7R0.10 C#CC(=O)C(C)C#N 1458a_100000211873_100000703298 [0,2,0,0,0,0|1,0,1]=4 1716 B7R0.10 C#CC(=O)C(C)CC 1458a_100000211873_100000758301 [0,2,0,0,0,0|0,0,0]=2 1717 B7R0.10 C#CC(C)C(=O)C=C 1458a_100000185746_200000035995 [0,2,0,0,0,0|0,0,2]=4 1718 B7R0.10 C#CC(C)C(=O)CC 1458a_100000210414_200000035995 [0,2,0,0,0,0|0,0,2]=4 1719 B7R0.10 C#CC(C)C(=O)CO 1458a_100000210174_200000035995 [0,2,0,0,0,0|0,0,2]=4 1720 B7R0.10 C/C=C(\C)/C(=O)CC 1458a_100020587367_100000210202 [0,2,0,0,0,0|0,0,2]=4 1721 B7R0.10 C/C=C(\C)/C(=O)CF 1458a_100020587367_100015361967 [0,2,0,0,0,0|0,0,2]=4 1722 B7R0.10 C/C=C(\C)/C(=O)NC 11a_106832991635_100020587367 [0,2,0,0,0,0|0,0,2]=4 1723 B7R0.10 C/C=C(\C)/C(=O)NC 1626a_100102657272_100020587367 [0,2,0,0,0,0|0,0,2]=4 1724 B7R0.10 C/C=C(\C)/C(C)NC 269862a_106832991636_100020675665 [0,2,0,0,0,0|1,0,1]=4 1725 B7R0.10 C=CC(=O)C(C)C#N 1458a_100000185746_100000703298 [0,2,0,0,0,0|1,0,1]=4 1726 B7R0.10 C=CC(=O)C(C)CC 1458a_100000185746_100000758301 [0,2,0,0,0,0|0,0,0]=2 1727 B7R0.10 C=CC(=O)N(C)CC 1626a_100000225621_100000185746 [0,2,0,0,0,0|1,0,0]=3 1728 B7R0.10 C=CC(=O)N(C)CC 240690a_100000225621_200121576911 [0,2,0,0,0,0|1,0,0]=3 1729 B7R0.10 C=CC(C)C(=O)CC 1458a_100011216780_100000210202 [0,2,0,0,0,0|1,0,0]=3 1730 B7R0.10 C=CC(C)C(=O)CF 1458a_100011216780_100015361967 [0,2,0,0,0,0|0,0,2]=4 1731 B7R0.10 C=CC(C)C(=O)NC 11a_106832991635_100011216780 [0,2,0,0,0,0|0,0,2]=4 1732 B7R0.10 C=CC(C)C(=O)NC 1626a_100102657272_100011216780 [0,2,0,0,0,0|0,0,2]=4 1733 B7R0.10 C=CC(C)C(=O)NC 240690a_100102657272_100011216780 [0,2,0,0,0,0|0,0,2]=4 1734 B7R0.10 C=CC(C)C(=O)NC 527a_100102657272_100011216780 [0,2,0,0,0,0|0,0,2]=4 1735 B7R0.10 C=CC(C)N(C)CC 269982a_100000225621_100011215867 [0,2,0,0,0,0|1,0,0]=3 1736 B7R0.10 C=C[C@@H](C)[C@@H](C)OC 34a_100015455354_200000210301 [0,2,0,0,0,0|1,0,0]=3 1737 B7R0.10 C=C[C@@H](C)[C@@H](C)OC 7a_100015455354_200000210301 [0,2,0,0,0,0|1,0,0]=3 1738 B7R0.10 C=C[C@@H](C)[C@@H](C)O[13CH3] 34a_100015455354_200025704644 [0,2,0,0,0,0|1,0,0]=3 1739 B7R0.10 C=C[C@@H](C)[C@@H](C)O[13CH3] 7a_100015455354_200025704644 [0,2,0,0,0,0|1,0,0]=3 1740 B7R0.10 CC(C#N)C(=O)CF 1458a_100000753662_100015361967 [0,2,0,0,0,0|1,0,1]=4 1741 B7R0.10 CC(C#N)C(=O)CO 1458a_100000210174_100000703298 [0,2,0,0,0,0|1,0,1]=4 1742 B7R0.10 CC(O[13CH3])C(=O)NN 34a_100000725659_200025704644 [0,2,0,0,0,0|1,0,0]=3 1743 B7R0.10 CCC(=O)C(=O)NC 1458a_100011218921_100000210202 [0,2,0,0,0,0|1,0,1]=4 1744 B7R0.10 CCC(=O)C(C)C#N 1458a_100000210414_100000703298 [0,2,0,0,0,0|1,0,1]=4 1745 B7R0.10 CCC(=O)C(C)C#N 1458a_100000753662_100000210202 [0,2,0,0,0,0|1,0,1]=4 1746 B7R0.10 CCC(=O)C(C)CC 1458a_100000210414_100000758301 [0,2,0,0,0,0|0,0,0]=2 1747 B7R0.10 CCC(=O)C(C)CC 1458a_100011192722_100000210202 [0,2,0,0,0,0|0,0,0]=2 1748 B7R0.10 CCC(=O)C(C)NC 2230a_106832991635_100000742827 [0,2,0,0,0,0|1,0,0]=3 1749 B7R0.10 CCC(=O)C(C)NC 7a_106832991635_100000742827 [0,2,0,0,0,0|1,0,0]=3 1750 B7R0.10 CCC(=O)C(C)OC 1458a_100000743197_100000210202 [0,2,0,0,0,0|1,0,0]=3 1751 B7R0.10 CCC(=O)C(C)SC 1458a_100000149566_100000210202 [0,2,0,0,0,0|1,0,0]=3 1752 B7R0.10 CCC(=O)C(C)SC 62a_100000742827_200000210301 [0,2,0,0,0,0|1,0,0]=3 1753 B7R0.10 CCC(=O)C(C)SC 62a_200000210301_100000742827 [0,2,0,0,0,0|1,0,0]=3 1754 B7R0.10 CCC(=O)C(C)S[13CH3] 62a_100000742827_200025704644 [0,2,0,0,0,0|1,0,0]=3 1755 B7R0.10 CCC(=O)C(C)S[13CH3] 62a_200025704644_100000742827 [0,2,0,0,0,0|1,0,0]=3 1756 B7R0.10 CCC(=O)C(O)CC 1458a_100011196387_100000210202 [0,2,0,0,0,0|1,0,0]=3 1757 B7R0.10 CCC(=O)C(O)CO 1458a_100011215603_100000210202 [0,2,0,0,0,0|2,0,0]=4 1758 B7R0.10 CCC(=O)N(C)CC 11a_100000225621_100000210414 [0,2,0,0,0,0|1,0,0]=3 1759 B7R0.10 CCC(=O)N(C)CC 1626a_100000225621_100000210414 [0,2,0,0,0,0|1,0,0]=3 1760 B7R0.10 CCC(=O)N(C)CC 240690a_100000225621_100000210414 [0,2,0,0,0,0|1,0,0]=3 1761 B7R0.10 CCC(=O)N(C)CC 527a_100000225621_100000210414 [0,2,0,0,0,0|1,0,0]=3 1762 B7R0.10 CCC(C)C(=O)CF 1458a_100011192722_100015361967 [0,2,0,0,0,0|0,0,0]=2 1763 B7R0.10 CCC(C)C(=O)CO 1458a_100000210174_100000758301 [0,2,0,0,0,0|0,0,0]=2 1764 B7R0.10 CCC(C)C(=O)NC 11a_106832991635_100011192722 [0,2,0,0,0,0|0,0,0]=2 1765 B7R0.10 CCC(C)C(=O)NC 1626a_100102657272_100011192722 [0,2,0,0,0,0|0,0,0]=2 1766 B7R0.10 CCC(C)C(=O)NC 240690a_100102657272_100011192722 [0,2,0,0,0,0|0,0,0]=2 1767 B7R0.10 CCC(C)C(=O)NC 527a_100102657272_100011192722 [0,2,0,0,0,0|0,0,0]=2 1768 B7R0.10 CCC(C)C(C)NC 269862a_106832991636_100000210599 [0,2,0,0,0,0|1,0,1]=4 1769 B7R0.10 CCC(C)C(C)NC 270004a_106832991635_100000210599 [0,2,0,0,0,0|1,0,1]=4 1770 B7R0.10 CCC(C)C(C)OC 7a_100011215189_200000210301 [0,2,0,0,0,0|0,0,2]=4 1771 B7R0.10 CCC(C)C(C)O[13CH3] 7a_100011215189_200025704644 [0,2,0,0,0,0|0,0,2]=4 1772 B7R0.10 CCC(C)N(C)CC 2230a_100000225621_100000758301 [0,2,0,0,0,0|1,0,1]=4 1773 B7R0.10 CCC(C)N(C)CC 2230a_100000732650_200000210301 [0,2,0,0,0,0|1,0,1]=4 1774 B7R0.10 CCC(C)N(C)CC 2230a_100000741768_100000210202 [0,2,0,0,0,0|1,0,1]=4 1775 B7R0.10 CCC(C)N(C)CC 269982a_100000225621_100000758301 [0,2,0,0,0,0|1,0,1]=4 1776 B7R0.10 CCC(C)N(C)CC 269982a_100000732650_200000210301 [0,2,0,0,0,0|1,0,1]=4 1777 B7R0.10 CCC(C)N(C)CC 269982a_100000741768_100000204670 [0,2,0,0,0,0|1,0,1]=4 1778 B7R0.10 CCC(C)N(C)CF 269982a_100000741768_100015361967 [0,2,0,0,0,0|1,0,1]=4 1779 B7R0.10 CCC(C)N([13CH3])CC 2230a_100000732650_200025704644 [0,2,0,0,0,0|1,0,1]=4 1780 B7R0.10 CCC(C)N([13CH3])CC 269982a_100000732650_200025704644 [0,2,0,0,0,0|1,0,1]=4 1781 B7R0.10 CCC(O)C(=O)CF 1458a_100011196387_100015361967 [0,2,0,0,0,0|1,0,0]=3 1782 B7R0.10 CCC(O)C(=O)NC 240690a_100102657272_100011196387 [0,2,0,0,0,0|1,0,0]=3 1783 B7R0.10 CCN(C)C(=O)CO 240690a_100000225621_100000210174 [0,2,0,0,0,0|1,0,0]=3 1784 B7R0.10 CCN(C)C(=O)CO 527a_100000225621_100000210174 [0,2,0,0,0,0|1,0,0]=3 1785 B7R0.10 CCN(C)C(=O)NC 2708a_100102657272_100000225621 [0,2,0,0,0,0|1,0,0]=3 1786 B7R0.10 CCN(C)C(=O)NC 273464a_100102657272_100000225621 [0,2,0,0,0,0|1,0,0]=3 1787 B7R0.10 CCN(C)C(C)C#N 2230a_100000225621_100000184139 [0,2,0,0,0,0|1,0,1]=4 1788 B7R0.10 CCN(C)C(C)C#N 269982a_100000225621_100000703298 [0,2,0,0,0,0|1,0,1]=4 1789 B7R0.10 CCN(C)C(C)CO 2230a_100000225621_100012180447 [0,2,0,0,0,0|0,0,2]=4 1790 B7R0.10 CCN(C)C(C)CO 2230a_100000693034_100000210202 [0,2,0,0,0,0|0,0,2]=4 1791 B7R0.10 CCN(C)C(C)CO 2230a_100000731049_200000210301 [0,2,0,0,0,0|0,0,2]=4 1792 B7R0.10 CCN(C)C(C)CO 269982a_100000693034_100000204670 [0,2,0,0,0,0|0,0,2]=4 1793 B7R0.10 CCN(C)C(C)CO 269982a_100000731049_200000210301 [0,2,0,0,0,0|0,0,2]=4 1794 B7R0.10 CCN(C)C(C)OC 269982a_100000225621_100009879195 [0,2,0,0,0,0|2,0,0]=4 1795 B7R0.10 CCN(C)[C@H](C)CO 269982a_100000225621_100016084084 [0,2,0,0,0,0|0,0,2]=4 1796 B7R0.10 CCN([13CH3])C(C)CO 2230a_100000731049_200025704644 [0,2,0,0,0,0|0,0,2]=4 1797 B7R0.10 CCN([13CH3])C(C)CO 269982a_100000731049_200025704644 [0,2,0,0,0,0|0,0,2]=4 1798 B7R0.10 CNC(=O)C(C)C#N 11a_106832991635_100000753662 [0,2,0,0,0,0|1,0,1]=4 1799 B7R0.10 CNC(=O)C(C)C#N 1626a_100102657272_100000753662 [0,2,0,0,0,0|1,0,1]=4 1800 B7R0.10 CNC(=O)C(C)C#N 240690a_100102657272_100000753662 [0,2,0,0,0,0|1,0,1]=4 1801 B7R0.10 CNC(=O)C(C)C#N 527a_100102657272_100000753662 [0,2,0,0,0,0|1,0,1]=4 1802 B7R0.10 CNC(=O)C(C)NC 2230a_106832991635_100000731044 [0,2,0,0,0,0|1,0,0]=3 1803 B7R0.10 CNC(=O)C(C)NC 34a_100102657272_100000731044 [0,2,0,0,0,0|1,0,0]=3 1804 B7R0.10 CNC(=O)C(C)NC 7a_106832991635_100000209862 [0,2,0,0,0,0|1,0,0]=3 1805 B7R0.10 CNC(=O)C(C)OC 11a_106832991635_100000743197 [0,2,0,0,0,0|1,0,0]=3 1806 B7R0.10 CNC(=O)C(C)OC 1626a_100102657272_100000743197 [0,2,0,0,0,0|1,0,0]=3 1807 B7R0.10 CNC(=O)C(C)OC 240690a_100102657272_100000743197 [0,2,0,0,0,0|1,0,0]=3 1808 B7R0.10 CNC(=O)C(C)OC 34a_100138415774_100000731044 [0,2,0,0,0,0|1,0,0]=3 1809 B7R0.10 CNC(=O)C(C)OC 527a_100102657272_100000743197 [0,2,0,0,0,0|1,0,0]=3 1810 B7R0.10 CNC(=O)C(C)SC 11a_106832991635_100000149566 [0,2,0,0,0,0|1,0,0]=3 1811 B7R0.10 CNC(=O)C(C)SC 1626a_100102657272_100000149566 [0,2,0,0,0,0|1,0,0]=3 1812 B7R0.10 CNC(=O)C(C)SC 240690a_100102657272_100000149566 [0,2,0,0,0,0|1,0,0]=3 1813 B7R0.10 CNC(=O)C(C)SC 527a_100102657272_100000149566 [0,2,0,0,0,0|1,0,0]=3 1814 B7R0.10 CNC(=O)C(C)SC 62a_100000209862_200000210301 [0,2,0,0,0,0|1,0,0]=3 1815 B7R0.10 CNC(=O)C(C)SC 62a_200000210301_100000731044 [0,2,0,0,0,0|1,0,0]=3 1816 B7R0.10 CNC(=O)C(C)S[13CH3] 62a_100000209862_200025704644 [0,2,0,0,0,0|1,0,0]=3 1817 B7R0.10 CNC(=O)C(C)S[13CH3] 62a_200025704644_100000731044 [0,2,0,0,0,0|1,0,0]=3 1818 B7R0.10 CNC(=O)C(F)NC 2230a_106832991635_100009813575 [0,2,0,0,0,0|2,0,0]=4 1819 B7R0.10 CNC(=O)C(F)NC 34a_100102657272_100009813575 [0,2,0,0,0,0|2,0,0]=4 1820 B7R0.10 CNC(=O)C(F)NC 7a_106832991635_100009813575 [0,2,0,0,0,0|2,0,0]=4 1821 B7R0.10 CNC(=O)C(F)OC 34a_100138415774_100009813575 [0,2,0,0,0,0|2,0,0]=4 1822 B7R0.10 CNC(=O)C(F)SC 62a_100009813575_200000210301 [0,2,0,0,0,0|2,0,0]=4 1823 B7R0.10 CNC(=O)C(F)SC 62a_200000210301_100009813575 [0,2,0,0,0,0|2,0,0]=4 1824 B7R0.10 CNC(=O)C(F)S[13CH3] 62a_100009813575_200025704644 [0,2,0,0,0,0|2,0,0]=4 1825 B7R0.10 CNC(=O)C(F)S[13CH3] 62a_200025704644_100009813575 [0,2,0,0,0,0|2,0,0]=4 1826 B7R0.10 CNC(=O)C(O)CO 240690a_100102657272_100011215603 [0,2,0,0,0,0|2,0,0]=4 1827 B7R0.10 CNC(=O)[C@@H](C)NC 2230a_100000684985_200000210301 [0,2,0,0,0,0|1,0,0]=3 1828 B7R0.10 CNC(=O)[C@@H](C)NC 34a_100000684985_200000210301 [0,2,0,0,0,0|1,0,0]=3 1829 B7R0.10 CNC(=O)[C@@H](C)N[13CH3] 2230a_100000684985_200025704644 [0,2,0,0,0,0|1,0,0]=3 1830 B7R0.10 CNC(=O)[C@@H](C)N[13CH3] 34a_100000684985_200025704644 [0,2,0,0,0,0|1,0,0]=3 1831 B7R0.10 CNC(C)C(=O)OC 2230a_106832991635_100000211248 [0,2,0,0,0,0|1,0,0]=3 1832 B7R0.10 CNC(C)C(=O)OC 34a_100102657272_100000211248 [0,2,0,0,0,0|1,0,0]=3 1833 B7R0.10 CNC(C)C(=O)OC 7a_106832991635_100000211248 [0,2,0,0,0,0|1,0,0]=3 1834 B7R0.10 COC(=O)C(C)OC 34a_100011215400_200000210301 [0,2,0,0,0,0|1,0,0]=3 1835 B7R0.10 COC(=O)C(C)OC 34a_100138415774_100000211248 [0,2,0,0,0,0|1,0,0]=3 1836 B7R0.10 COC(=O)C(C)O[13CH3] 34a_100011215400_200025704644 [0,2,0,0,0,0|1,0,0]=3 1837 B7R0.10 COC(=O)C(C)SC 62a_100000211248_200000210301 [0,2,0,0,0,0|1,0,0]=3 1838 B7R0.10 COC(=O)C(C)SC 62a_200000210301_100000211248 [0,2,0,0,0,0|1,0,0]=3 1839 B7R0.10 COC(=O)C(C)S[13CH3] 62a_100000211248_200025704644 [0,2,0,0,0,0|1,0,0]=3 1840 B7R0.10 COC(=O)C(C)S[13CH3] 62a_200025704644_100000211248 [0,2,0,0,0,0|1,0,0]=3 1841 B7R0.10 COC(C)C(=O)CF 1458a_100000743197_100015361967 [0,2,0,0,0,0|1,0,0]=3 1842 B7R0.10 COC(C)C(=O)NN 34a_100000725659_200000210301 [0,2,0,0,0,0|1,0,0]=3 1843 B7R0.10 CSC(C)C(=O)CF 1458a_100000149566_100015361967 [0,2,0,0,0,0|1,0,0]=3 1844 B7R0.10 O=C(CF)C(O)CO 1458a_100011215603_100015361967 [0,2,0,0,0,0|2,0,0]=4 1845 B7R0.11 C#CC(C)(C)NCC 34a_100000054563_100000210202 [0,2,0,0,0,0|1,0,1]=4 1846 B7R0.11 C#CC(C)(C)OCC 34a_100000189450_100000210202 [0,2,0,0,0,0|1,0,1]=4 1847 B7R0.11 C#CC(C)(C)OCC 34a_100121572206_100000038118 [0,2,0,0,0,0|1,0,1]=4 1848 B7R0.11 C#CC(C)(C)OCC 7a_100000189450_100000210202 [0,2,0,0,0,0|1,0,1]=4 1849 B7R0.11 C#CC(C)(C)SCC 62a_100000038118_100000210202 [0,2,0,0,0,0|1,0,1]=4 1850 B7R0.11 C#CC(C)(C)SCC 62a_100000210202_100000038118 [0,2,0,0,0,0|1,0,1]=4 1851 B7R0.11 C=CC(C)(C)OCC 34a_100011215311_100000210202 [0,2,0,0,0,0|1,0,0]=3 1852 B7R0.11 C=CC(C)(C)OCC 7a_100011215311_100000210202 [0,2,0,0,0,0|1,0,0]=3 1853 B7R0.11 C=CC(C)(C)OCF 34a_100011215311_100015361967 [0,2,0,0,0,0|2,0,0]=4 1854 B7R0.11 C=CC(C)(C)OCF 7a_100011215311_100015361967 [0,2,0,0,0,0|2,0,0]=4 1855 B7R0.11 C=CC(F)(F)SCC 62a_100000210202_100009814244 [0,2,0,0,0,0|2,0,0]=4 1856 B7R0.11 C=CC(F)(F)SCC 62a_100009814244_100000210202 [0,2,0,0,0,0|2,0,0]=4 1857 B7R0.11 C=CCC(C)(C)OC 7a_100011995686_200000210301 [0,2,0,0,0,0|2,0,0]=4 1858 B7R0.11 C=CCC(C)(C)O[13CH3] 7a_100011995686_200025704644 [0,2,0,0,0,0|2,0,0]=4 1859 B7R0.11 C=C[Si](C)(C)CNC 2230a_106832991635_100000038793 [0,2,0,0,0,0|1,1,0]=4 1860 B7R0.11 C=C[Si](C)(C)CSC 62a_100000038793_200000210301 [0,2,0,0,0,0|1,1,0]=4 1861 B7R0.11 C=C[Si](C)(C)CSC 62a_200000210301_100000038793 [0,2,0,0,0,0|1,1,0]=4 1862 B7R0.11 C=C[Si](C)(C)CS[13CH3] 62a_100000038793_200025704644 [0,2,0,0,0,0|1,1,0]=4 1863 B7R0.11 C=C[Si](C)(C)CS[13CH3] 62a_200025704644_100000038793 [0,2,0,0,0,0|1,1,0]=4 1864 B7R0.11 CC(C)(CCBr)O[13CH3] 7a_100000702414_200025704644 [0,2,0,0,0,0|2,0,0]=4 1865 B7R0.11 CC(C)(CCl)CO[13CH3] 7a_100011217199_200025704644 [0,2,0,0,0,0|1,0,1]=4 1866 B7R0.11 CC(C)(CO)CN[13CH3] 2230a_100020635058_200025704644 [0,2,0,0,0,0|0,0,2]=4 1867 B7R0.11 CC(C)(CO)CS[13CH3] 62a_100009813988_200025704644 [0,2,0,0,0,0|0,0,2]=4 1868 B7R0.11 CC(C)(CO)CS[13CH3] 62a_200025704644_100009813988 [0,2,0,0,0,0|0,0,2]=4 1869 B7R0.11 CCC(C)(C)COC 7a_100000765029_200000210301 [0,2,0,0,0,0|0,0,2]=4 1870 B7R0.11 CCC(C)(C)CO[13CH3] 7a_100000765029_200025704644 [0,2,0,0,0,0|0,0,2]=4 1871 B7R0.11 CCC(C)(C)OCF 7a_100000210230_100015361967 [0,2,0,0,0,0|1,0,1]=4 1872 B7R0.11 CCC(C)(C)SCF 62a_100000032637_100015361967 [0,2,0,0,0,0|1,0,1]=4 1873 B7R0.11 CCC(C)(C)SCF 62a_100015361967_100000032637 [0,2,0,0,0,0|1,0,1]=4 1874 B7R0.11 CCCC(C)(C)OC 7a_100000748436_200000210301 [0,2,0,0,0,0|2,0,0]=4 1875 B7R0.11 CCCC(C)(C)O[13CH3] 7a_100000748436_200025704644 [0,2,0,0,0,0|2,0,0]=4 1876 B7R0.11 CCNC(C)(C)CC 2230a_100000211385_100000210202 [0,2,0,0,0,0|1,0,1]=4 1877 B7R0.11 CCNC(C)(C)CO 2230a_100000210608_100000210202 [0,2,0,0,0,0|0,0,2]=4 1878 B7R0.11 CCOC(C)(C)C#N 34a_100121572206_100011162410 [0,2,0,0,0,0|1,0,1]=4 1879 B7R0.11 CCOC(C)(C)C#N 34a_200015195151_100000210202 [0,2,0,0,0,0|1,0,1]=4 1880 B7R0.11 CCOC(C)(C)CC 7a_100000210230_100000210202 [0,2,0,0,0,0|1,0,1]=4 1881 B7R0.11 CCOC(C)(C)CCl 7a_100000764493_100000210202 [0,2,0,0,0,0|1,0,1]=4 1882 B7R0.11 CCSC(C)(C)C#N 62a_100000210202_100011162410 [0,2,0,0,0,0|1,0,1]=4 1883 B7R0.11 CCSC(C)(C)C#N 62a_100011162410_100000210202 [0,2,0,0,0,0|1,0,1]=4 1884 B7R0.11 CCSC(C)(C)CC 62a_100000032637_100000210202 [0,2,0,0,0,0|1,0,1]=4 1885 B7R0.11 CCSC(C)(C)CC 62a_100000210202_100000032637 [0,2,0,0,0,0|1,0,1]=4 1886 B7R0.11 CNC(C)(C)COC 2230a_100000752728_200000210301 [0,2,0,0,0,0|2,0,0]=4 1887 B7R0.11 CNC(C)(C)CSC 2230a_100000759623_200000210301 [0,2,0,0,0,0|2,0,0]=4 1888 B7R0.11 CNC(C)(C)CSC 7a_100000759623_200000210301 [0,2,0,0,0,0|2,0,0]=4 1889 B7R0.11 CNCC(C)(C)CO 2230a_100020635058_200000210301 [0,2,0,0,0,0|0,0,2]=4 1890 B7R0.11 CNCC(C)(C)CO 34a_100102657272_100009813988 [0,2,0,0,0,0|0,0,2]=4 1891 B7R0.11 CNCC(C)(C)CO 7a_106832991635_100009813988 [0,2,0,0,0,0|0,0,2]=4 1892 B7R0.11 CNCC(C)(C)OC 2230a_100000763424_200000210301 [0,2,0,0,0,0|2,0,0]=4 1893 B7R0.11 CNCC(C)(C)OC 34a_100102657272_100000701081 [0,2,0,0,0,0|2,0,0]=4 1894 B7R0.11 CNCC(C)(C)SC 270004a_106832991635_100009845794 [0,2,0,0,0,0|2,0,0]=4 1895 B7R0.11 COC(C)(C)CCBr 7a_100000702414_200000210301 [0,2,0,0,0,0|2,0,0]=4 1896 B7R0.11 COC(C)(C)CN[13CH3] 2230a_100000763424_200025704644 [0,2,0,0,0,0|2,0,0]=4 1897 B7R0.11 COC(C)(C)CSC 62a_100000701081_200000210301 [0,2,0,0,0,0|2,0,0]=4 1898 B7R0.11 COC(C)(C)CSC 62a_200000210301_100000701081 [0,2,0,0,0,0|2,0,0]=4 1899 B7R0.11 COC(C)(C)CS[13CH3] 62a_100000701081_200025704644 [0,2,0,0,0,0|2,0,0]=4 1900 B7R0.11 COC(C)(C)CS[13CH3] 62a_200025704644_100000701081 [0,2,0,0,0,0|2,0,0]=4 1901 B7R0.11 COCC(C)(C)CCl 7a_100011217199_200000210301 [0,2,0,0,0,0|1,0,1]=4 1902 B7R0.11 COCC(C)(C)CO 34a_100138415774_100009813988 [0,2,0,0,0,0|0,0,2]=4 1903 B7R0.11 COCC(C)(C)N[13CH3] 2230a_100000752728_200025704644 [0,2,0,0,0,0|2,0,0]=4 1904 B7R0.11 COCC(C)(C)OC 34a_100138415774_100000701081 [0,2,0,0,0,0|2,0,0]=4 1905 B7R0.11 CSCC(C)(C)CO 62a_100009813988_200000210301 [0,2,0,0,0,0|0,0,2]=4 1906 B7R0.11 CSCC(C)(C)CO 62a_200000210301_100009813988 [0,2,0,0,0,0|0,0,2]=4 1907 B7R0.11 CSCC(C)(C)N[13CH3] 2230a_100000759623_200025704644 [0,2,0,0,0,0|2,0,0]=4 1908 B7R0.11 CSCC(C)(C)N[13CH3] 7a_100000759623_200025704644 [0,2,0,0,0,0|2,0,0]=4 1909 B7R0.12 C#CC(CC)OCC 34a_100000758843_100000210202 [0,2,0,0,0,0|1,0,1]=4 1910 B7R0.12 C#CC(CC)OCC 7a_100000758843_100000210202 [0,2,0,0,0,0|1,0,1]=4 1911 B7R0.12 C#CC(CC)OCF 34a_100000758843_100015361967 [0,2,0,0,0,0|1,0,1]=4 1912 B7R0.12 C#CC(CC)OCF 7a_100000758843_100015361967 [0,2,0,0,0,0|1,0,1]=4 1913 B7R0.12 C#CC(CCC)OC 34a_200011217317_200000210301 [0,2,0,0,0,0|1,0,1]=4 1914 B7R0.12 C#CC(CCC)OC 7a_200011217317_200000210301 [0,2,0,0,0,0|1,0,1]=4 1915 B7R0.12 C#CC(CCC)O[13CH3] 34a_200011217317_200025704644 [0,2,0,0,0,0|1,0,1]=4 1916 B7R0.12 C#CC(CCC)O[13CH3] 7a_200011217317_200025704644 [0,2,0,0,0,0|1,0,1]=4 1917 B7R0.12 C#CCC(CC)OC 34a_200011217983_200000210301 [0,2,0,0,0,0|1,0,1]=4 1918 B7R0.12 C#CCC(CC)OC 7a_200011217983_200000210301 [0,2,0,0,0,0|1,0,1]=4 1919 B7R0.12 C#CCC(CC)O[13CH3] 34a_200011217983_200025704644 [0,2,0,0,0,0|1,0,1]=4 1920 B7R0.12 C#CCC(CC)O[13CH3] 7a_200011217983_200025704644 [0,2,0,0,0,0|1,0,1]=4 1921 B7R0.12 C=CC(C=C)OCC 34a_100000033096_100000210202 [0,2,0,0,0,0|1,0,1]=4 1922 B7R0.12 C=CC(CC)OCC 34a_100000766422_100000210202 [0,2,0,0,0,0|1,0,0]=3 1923 B7R0.12 C=CC(CC)OCC 7a_100000766422_100000210202 [0,2,0,0,0,0|1,0,0]=3 1924 B7R0.12 C=CC(CC)OCF 34a_100000766422_100015361967 [0,2,0,0,0,0|1,0,0]=3 1925 B7R0.12 C=CC(CC)OCF 7a_100000766422_100015361967 [0,2,0,0,0,0|1,0,0]=3 1926 B7R0.12 C=CC(CCC)OC 34a_100011216692_200000210301 [0,2,0,0,0,0|1,0,0]=3 1927 B7R0.12 C=CC(CCC)OC 7a_100011216692_200000210301 [0,2,0,0,0,0|1,0,0]=3 1928 B7R0.12 C=CC(CCC)O[13CH3] 34a_100011216692_200025704644 [0,2,0,0,0,0|1,0,0]=3 1929 B7R0.12 C=CC(CCC)O[13CH3] 7a_100011216692_200025704644 [0,2,0,0,0,0|1,0,0]=3 1930 B7R0.12 C=CCC(C=C)OC 34a_100000038011_200000210301 [0,2,0,0,0,0|1,0,1]=4 1931 B7R0.12 C=CCC(C=C)OC 7a_100000038011_200000210301 [0,2,0,0,0,0|1,0,1]=4 1932 B7R0.12 C=CCC(C=C)O[13CH3] 34a_100000038011_200025704644 [0,2,0,0,0,0|1,0,1]=4 1933 B7R0.12 C=CCC(C=C)O[13CH3] 7a_100000038011_200025704644 [0,2,0,0,0,0|1,0,1]=4 1934 B7R0.12 C=CCN(CC)CC 2230a_100000724800_100000210623 [0,2,0,0,0,0|2,0,0]=4 1935 B7R0.12 C=CCN(CC)CC 269956a_100000042499_100000210623 [0,2,0,0,0,0|2,0,0]=4 1936 B7R0.12 C=CCN(CC)CC 269982a_100000724800_100000210623 [0,2,0,0,0,0|2,0,0]=4 1937 B7R0.12 C=CC[C@H](CO)NC 2230a_100020615467_200000210301 [0,2,0,0,0,0|2,0,0]=4 1938 B7R0.12 C=CC[C@H](CO)N[13CH3] 2230a_100020615467_200025704644 [0,2,0,0,0,0|2,0,0]=4 1939 B7R0.12 C=C[C@@H](CO)NCC 2230a_100016989147_100000210202 [0,2,0,0,0,0|1,0,0]=3 1940 B7R0.12 C=C[C@@H](CO)NCC 34a_100016989147_100000210202 [0,2,0,0,0,0|1,0,0]=3 1941 B7R0.12 C=C[C@@H](CO)NCF 34a_100016989147_100015361967 [0,2,0,0,0,0|2,0,0]=4 1942 B7R0.12 CC#CC(CC)OC 34a_200011219922_200000210301 [0,2,0,0,0,0|1,0,1]=4 1943 B7R0.12 CC#CC(CC)OC 7a_200011219922_200000210301 [0,2,0,0,0,0|1,0,1]=4 1944 B7R0.12 CC#CC(CC)O[13CH3] 34a_200011219922_200025704644 [0,2,0,0,0,0|1,0,1]=4 1945 B7R0.12 CC#CC(CC)O[13CH3] 7a_200011219922_200025704644 [0,2,0,0,0,0|1,0,1]=4 1946 B7R0.12 CCC(CC)CNC 2230a_100102946423_200000210301 [0,2,0,0,0,0|1,0,1]=4 1947 B7R0.12 CCC(CC)CNC 2230a_106832991635_100011215472 [0,2,0,0,0,0|1,0,1]=4 1948 B7R0.12 CCC(CC)CNC 269862a_106832991636_100000211137 [0,2,0,0,0,0|1,0,1]=4 1949 B7R0.12 CCC(CC)CNC 270004a_106832991635_100000211137 [0,2,0,0,0,0|1,0,1]=4 1950 B7R0.12 CCC(CC)CNC 34a_100102657272_100011215472 [0,2,0,0,0,0|1,0,1]=4 1951 B7R0.12 CCC(CC)CNC 7a_106832991635_100011215472 [0,2,0,0,0,0|1,0,1]=4 1952 B7R0.12 CCC(CC)CN[13CH3] 2230a_100102946423_200025704644 [0,2,0,0,0,0|1,0,1]=4 1953 B7R0.12 CCC(CC)COC 34a_100138415774_100011215472 [0,2,0,0,0,0|0,0,2]=4 1954 B7R0.12 CCC(CC)COC 7a_100000703878_200000210301 [0,2,0,0,0,0|0,0,2]=4 1955 B7R0.12 CCC(CC)CO[13CH3] 7a_100000703878_200025704644 [0,2,0,0,0,0|0,0,2]=4 1956 B7R0.12 CCC(CC)CSC 62a_100011215472_200000210301 [0,2,0,0,0,0|0,1,1]=4 1957 B7R0.12 CCC(CC)CSC 62a_200000210301_100011215472 [0,2,0,0,0,0|0,1,1]=4 1958 B7R0.12 CCC(CC)CS[13CH3] 62a_100011215472_200025704644 [0,2,0,0,0,0|0,1,1]=4 1959 B7R0.12 CCC(CC)CS[13CH3] 62a_200025704644_100011215472 [0,2,0,0,0,0|0,1,1]=4 1960 B7R0.12 CCC(CC)OCF 7a_100000688536_100015361967 [0,2,0,0,0,0|1,0,1]=4 1961 B7R0.12 CCC(CC)SCF 62a_100000210505_100015361967 [0,2,0,0,0,0|1,0,1]=4 1962 B7R0.12 CCC(CC)SCF 62a_100015361967_100000210505 [0,2,0,0,0,0|1,0,1]=4 1963 B7R0.12 CCC(COC)NC 2230a_100000757820_200000210301 [0,2,0,0,0,0|0,0,2]=4 1964 B7R0.12 CCC(COC)NC 270004a_106832991635_100000757811 [0,2,0,0,0,0|0,0,2]=4 1965 B7R0.12 CCC(COC)N[13CH3] 2230a_100000757820_200025704644 [0,2,0,0,0,0|0,0,2]=4 1966 B7R0.12 CCC(COC)OC 34a_100011934954_200000210301 [0,2,0,0,0,0|0,0,2]=4 1967 B7R0.12 CCC(COC)OC 7a_100011934954_200000210301 [0,2,0,0,0,0|0,0,2]=4 1968 B7R0.12 CCC(COC)OC 7a_200011214946_200000210301 [0,2,0,0,0,0|0,0,2]=4 1969 B7R0.12 CCC(COC)O[13CH3] 7a_200011214946_200025704644 [0,2,0,0,0,0|0,0,2]=4 1970 B7R0.12 CCC(CO[13CH3])OC 34a_100011934954_200025704644 [0,2,0,0,0,0|0,0,2]=4 1971 B7R0.12 CCC(CO[13CH3])OC 7a_100011934954_200025704644 [0,2,0,0,0,0|0,0,2]=4 1972 B7R0.12 CCCC(C#N)OC 34a_100000686963_200000210301 [0,2,0,0,0,0|1,0,1]=4 1973 B7R0.12 CCCC(C#N)OC 7a_100000686963_200000210301 [0,2,0,0,0,0|1,0,1]=4 1974 B7R0.12 CCCC(C#N)O[13CH3] 34a_100000686963_200025704644 [0,2,0,0,0,0|1,0,1]=4 1975 B7R0.12 CCCC(C#N)O[13CH3] 7a_100000686963_200025704644 [0,2,0,0,0,0|1,0,1]=4 1976 B7R0.12 CCCC(CC)NC 2230a_100000747048_200000210301 [0,2,0,0,0,0|1,0,1]=4 1977 B7R0.12 CCCC(CC)NC 270004a_106832991635_100000687865 [0,2,0,0,0,0|1,0,1]=4 1978 B7R0.12 CCCC(CC)NC 7a_106832991635_100011219200 [0,2,0,0,0,0|1,0,1]=4 1979 B7R0.12 CCCC(CC)N[13CH3] 2230a_100000747048_200025704644 [0,2,0,0,0,0|1,0,1]=4 1980 B7R0.12 CCCC(CC)OC 34a_100000687864_200000210301 [0,2,0,0,0,0|1,0,1]=4 1981 B7R0.12 CCCC(CC)OC 7a_100000687864_200000210301 [0,2,0,0,0,0|1,0,1]=4 1982 B7R0.12 CCCC(CC)O[13CH3] 34a_100000687864_200025704644 [0,2,0,0,0,0|1,0,1]=4 1983 B7R0.12 CCCC(CC)O[13CH3] 7a_100000687864_200025704644 [0,2,0,0,0,0|1,0,1]=4 1984 B7R0.12 CCCC(CC)SC 62a_100011219200_200000210301 [0,2,0,0,0,0|1,0,1]=4 1985 B7R0.12 CCCC(CC)SC 62a_200000210301_100011219200 [0,2,0,0,0,0|1,0,1]=4 1986 B7R0.12 CCCC(CC)S[13CH3] 62a_100011219200_200025704644 [0,2,0,0,0,0|1,0,1]=4 1987 B7R0.12 CCCC(CC)S[13CH3] 62a_200025704644_100011219200 [0,2,0,0,0,0|1,0,1]=4 1988 B7R0.12 CCC[C@@H](CO)NC 2230a_100000732646_200000210301 [0,2,0,0,0,0|0,0,2]=4 1989 B7R0.12 CCC[C@@H](CO)NC 34a_100000732646_200000210301 [0,2,0,0,0,0|0,0,2]=4 1990 B7R0.12 CCC[C@@H](CO)N[13CH3] 2230a_100000732646_200025704644 [0,2,0,0,0,0|0,0,2]=4 1991 B7R0.12 CCC[C@@H](CO)N[13CH3] 34a_100000732646_200025704644 [0,2,0,0,0,0|0,0,2]=4 1992 B7R0.12 CCN(CC)CC=O 2230a_100000724800_200015260668 [0,2,0,0,0,0|1,0,0]=3 1993 B7R0.12 CCN(CC)CC=O 269956a_100000042499_200015260668 [0,2,0,0,0,0|1,0,0]=3 1994 B7R0.12 CCN(CC)CC=O 269982a_100000724800_200015260668 [0,2,0,0,0,0|1,0,0]=3 1995 B7R0.12 CCNC(C=O)C=O 2230a_100015525214_100000736813 [0,2,0,0,0,0|0,0,1]=3 1996 B7R0.12 CCNC(CC)CC 2230a_100000199018_100000210202 [0,2,0,0,0,0|1,0,1]=4 1997 B7R0.12 CCNC(CC)CC 270004a_100015525214_100000210860 [0,2,0,0,0,0|1,0,1]=4 1998 B7R0.12 CCNC(CO)CO 2230a_100000759517_100000210202 [0,2,0,0,0,0|0,0,2]=4 1999 B7R0.12 CCN[C@@H](CC)CO 2230a_100000709445_100000210202 [0,2,0,0,0,0|0,0,2]=4 2000 B7R0.12 CCOC(C=O)C=O 34a_100121572206_100000736813 [0,2,0,0,0,0|0,0,1]=3 2001 B7R0.12 CCOC(CC)CC 7a_100000688536_100000210202 [0,2,0,0,0,0|1,0,1]=4 2002 B7R0.12 CCOC(CCl)CCl 7a_100000737055_100000210202 [0,2,0,0,0,0|1,0,1]=4 2003 B7R0.12 CCOC(CF)CF 34a_100000032261_100000210202 [0,2,0,0,0,0|1,0,1]=4 2004 B7R0.12 CCOC(CF)CF 7a_100000032261_100000210202 [0,2,0,0,0,0|1,0,1]=4 2005 B7R0.12 CCOC(CN)CN 34a_100000031598_100000210202 [0,2,0,0,0,0|1,0,1]=4 2006 B7R0.12 CCO[C@@H](CF)CCl 34a_100015614560_100000210202 [0,2,0,0,0,0|1,0,1]=4 2007 B7R0.12 CCO[C@@H](CF)CCl 7a_100015614560_100000210202 [0,2,0,0,0,0|1,0,1]=4 2008 B7R0.12 CCSC(C=O)C=O 62a_100000210202_100000736813 [0,2,0,0,0,0|0,0,1]=3 2009 B7R0.12 CCSC(C=O)C=O 62a_100000736813_100000210202 [0,2,0,0,0,0|0,0,1]=3 2010 B7R0.12 CCSC(CC)CC 62a_100000210202_100000210505 [0,2,0,0,0,0|1,0,1]=4 2011 B7R0.12 CCSC(CC)CC 62a_100000210505_100000210202 [0,2,0,0,0,0|1,0,1]=4 2012 B7R0.12 CC[C@H](CC#N)NC 2230a_200009818565_200000210301 [0,2,0,0,0,0|1,0,1]=4 2013 B7R0.12 CC[C@H](CC#N)N[13CH3] 2230a_200009818565_200025704644 [0,2,0,0,0,0|1,0,1]=4 2014 B7R0.12 CNC(CO)COC 2230a_100000724102_200000210301 [0,2,0,0,0,0|0,0,2]=4 2015 B7R0.12 CNC(CO)COC 34a_100000724102_200000210301 [0,2,0,0,0,0|0,0,2]=4 2016 B7R0.12 CNCC(OC)OC 2230a_106832991635_100000751394 [0,2,0,0,0,0|2,0,0]=4 2017 B7R0.12 CNCC(OC)OC 270004a_106832991635_100000752162 [0,2,0,0,0,0|2,0,0]=4 2018 B7R0.12 CNCC(OC)OC 34a_100102657272_100000211822 [0,2,0,0,0,0|2,0,0]=4 2019 B7R0.12 CNCC(OC)OC 7a_106832991635_100000751394 [0,2,0,0,0,0|2,0,0]=4 2020 B7R0.12 COC(CO[13CH3])OC 34a_100011216393_200025704644 [0,2,0,0,0,0|2,0,0]=4 2021 B7R0.12 COC(CSC)OC 62a_100000751394_200000210301 [0,2,0,0,0,0|2,0,0]=4 2022 B7R0.12 COC(CSC)OC 62a_200000210301_100000751394 [0,2,0,0,0,0|2,0,0]=4 2023 B7R0.12 COC(CS[13CH3])OC 62a_100000751394_200025704644 [0,2,0,0,0,0|2,0,0]=4 2024 B7R0.12 COC(CS[13CH3])OC 62a_200025704644_100000751394 [0,2,0,0,0,0|2,0,0]=4 2025 B7R0.12 COCC(CCl)OC 34a_100011215053_200000210301 [0,2,0,0,0,0|1,0,1]=4 2026 B7R0.12 COCC(CCl)O[13CH3] 34a_100011215053_200025704644 [0,2,0,0,0,0|1,0,1]=4 2027 B7R0.12 COCC(CN)OC 34a_100000756049_200000210301 [0,2,0,0,0,0|1,0,1]=4 2028 B7R0.12 COCC(CN)O[13CH3] 34a_100000756049_200025704644 [0,2,0,0,0,0|1,0,1]=4 2029 B7R0.12 COCC(CO)N[13CH3] 2230a_100000724102_200025704644 [0,2,0,0,0,0|0,0,2]=4 2030 B7R0.12 COCC(CO)N[13CH3] 34a_100000724102_200025704644 [0,2,0,0,0,0|0,0,2]=4 2031 B7R0.12 COCC(OC)OC 34a_100011216393_200000210301 [0,2,0,0,0,0|2,0,0]=4 2032 B7R0.12 COCC(OC)OC 34a_100138415774_100000211822 [0,2,0,0,0,0|2,0,0]=4 2033 B7R0.12 O=CC(C=O)SCF 62a_100000736813_100015361967 [0,2,0,0,0,0|1,0,1]=4 2034 B7R0.12 O=CC(C=O)SCF 62a_100015361967_100000736813 [0,2,0,0,0,0|1,0,1]=4 2035 B7R0.13 C#CC(C)(C)C(=O)C 1458a_100000070787_100000038118 [0,2,0,0,0,0|0,0,2]=4 2036 B7R0.13 C#CC(C)(C)C(=O)C 1458a_100000079900_200000210301 [0,2,0,0,0,0|0,0,2]=4 2037 B7R0.13 C#CC(C)(C)C(=O)[13CH3] 1458a_100000079900_200025704644 [0,2,0,0,0,0|0,0,2]=4 2038 B7R0.13 C=CC(C)(C)C(=O)C 1458a_100012027013_200000210301 [0,2,0,0,0,0|0,0,2]=4 2039 B7R0.13 C=CC(C)(C)C(=O)[13CH3] 1458a_100012027013_200025704644 [0,2,0,0,0,0|0,0,2]=4 2040 B7R0.13 CC(=O)C(C)(C)C#N 1458a_100000740761_200000210301 [0,2,0,0,0,0|1,0,1]=4 2041 B7R0.13 CC(=O)C(C)(C)CF 1458a_100000138116_200000210301 [0,2,0,0,0,0|1,0,0]=3 2042 B7R0.13 CC(=O)C(C)(C)CO 1458a_100000749806_200000210301 [0,2,0,0,0,0|1,0,0]=3 2043 B7R0.13 CC(=O)C(C)(C)O[13CH3] 34a_100000747739_200025704644 [0,2,0,0,0,0|1,0,0]=3 2044 B7R0.13 CC(=O)C(C)(C)O[13CH3] 7a_100000747739_200025704644 [0,2,0,0,0,0|1,0,0]=3 2045 B7R0.13 CC(=O)C(C)(C)S[13CH3] 62a_100000075568_200025704644 [0,2,0,0,0,0|1,0,0]=3 2046 B7R0.13 CC(=O)C(C)(C)S[13CH3] 62a_200025704644_100000075568 [0,2,0,0,0,0|1,0,0]=3 2047 B7R0.13 CC(C)(C#N)C(=O)[13CH3] 1458a_100000740761_200025704644 [0,2,0,0,0,0|1,0,1]=4 2048 B7R0.13 CC(C)(CF)C(=O)[13CH3] 1458a_100000138116_200025704644 [0,2,0,0,0,0|1,0,0]=3 2049 B7R0.13 CC(C)(CO)C(=O)[13CH3] 1458a_100000749806_200025704644 [0,2,0,0,0,0|1,0,0]=3 2050 B7R0.13 CC(C)(N[13CH3])C(=O)N 2230a_100000743658_200025704644 [0,2,0,0,0,0|1,0,0]=3 2051 B7R0.13 CC(C)(N[13CH3])C(=O)N 34a_100000743658_200025704644 [0,2,0,0,0,0|1,0,0]=3 2052 B7R0.13 CC(C)(O[13CH3])C(=O)N 34a_100011626353_200025704644 [0,2,0,0,0,0|1,0,0]=3 2053 B7R0.13 CC(C)(O[13CH3])C(=O)N 7a_100011626353_200025704644 [0,2,0,0,0,0|1,0,0]=3 2054 B7R0.13 CC(C)(S[13CH3])C(=O)N 62a_100000702505_200025704644 [0,2,0,0,0,0|1,0,0]=3 2055 B7R0.13 CC(C)(S[13CH3])C(=O)N 62a_200025704644_100000702505 [0,2,0,0,0,0|1,0,0]=3 2056 B7R0.13 CC(C)(S[13CH3])[N+](=O)[O-] 62a_200009813997_200025704644 [0,2,0,0,0,0|2,0,0]=4 2057 B7R0.13 CC(C)(S[13CH3])[N+](=O)[O-] 62a_200025704644_200009813997 [0,2,0,0,0,0|2,0,0]=4 2058 B7R0.13 CC(C)C(C)(C)N[13CH3] 2230a_200160471154_200025704644 [0,2,0,0,0,0|2,0,0]=4 2059 B7R0.13 CC(C)C(C)(C)O[13CH3] 7a_100011215261_200025704644 [0,2,0,0,0,0|2,0,0]=4 2060 B7R0.13 CCC(C)(C)C(=O)C 1458a_100000749717_200000210301 [0,2,0,0,0,0|0,0,0]=2 2061 B7R0.13 CCC(C)(C)C(=O)[13CH3] 1458a_100000749717_200025704644 [0,2,0,0,0,0|0,0,0]=2 2062 B7R0.13 CCC(C)(C)N(C)C 2230a_200000755171_200000210301 [0,2,0,0,0,0|2,0,0]=4 2063 B7R0.13 CCC(C)(C)N(C)C 269982a_100102631434_100000032637 [0,2,0,0,0,0|2,0,0]=4 2064 B7R0.13 CCC(C)(C)N(C)C 269982a_200000755171_200000210301 [0,2,0,0,0,0|2,0,0]=4 2065 B7R0.13 CCC(C)(C)N(C)[13CH3] 2230a_200000755171_200025704644 [0,2,0,0,0,0|2,0,0]=4 2066 B7R0.13 CCC(C)(C)N(C)[13CH3] 269982a_200000755171_200025704644 [0,2,0,0,0,0|2,0,0]=4 2067 B7R0.13 CCC(C)(O)C(=O)C 1458a_100011219770_200000210301 [0,2,0,0,0,0|0,0,0]=2 2068 B7R0.13 CCC(C)(O)C(=O)[13CH3] 1458a_100011219770_200025704644 [0,2,0,0,0,0|0,0,0]=2 2069 B7R0.13 CCC(F)(F)C(=O)C 1458a_100000061896_200000210301 [0,2,0,0,0,0|1,0,0]=3 2070 B7R0.13 CCC(F)(F)C(=O)[13CH3] 1458a_100000061896_200025704644 [0,2,0,0,0,0|1,0,0]=3 2071 B7R0.13 CNC(C)(C)C(=O)C 7a_106832991635_100000075568 [0,2,0,0,0,0|1,0,0]=3 2072 B7R0.13 CNC(C)(C)C(=O)N 2230a_100000743658_200000210301 [0,2,0,0,0,0|1,0,0]=3 2073 B7R0.13 CNC(C)(C)C(=O)N 2230a_106832991635_100000702505 [0,2,0,0,0,0|1,0,0]=3 2074 B7R0.13 CNC(C)(C)C(=O)N 34a_100000743658_200000210301 [0,2,0,0,0,0|1,0,0]=3 2075 B7R0.13 CNC(C)(C)C(=O)N 34a_100102657272_100000702505 [0,2,0,0,0,0|1,0,0]=3 2076 B7R0.13 CNC(C)(C)C(=O)N 7a_106832991635_100000702505 [0,2,0,0,0,0|1,0,0]=3 2077 B7R0.13 CNC(C)(C)C(C)C 2230a_200160471154_200000210301 [0,2,0,0,0,0|2,0,0]=4 2078 B7R0.13 CNC(F)(F)C(=O)N 7a_106832991635_100009811971 [0,2,0,0,0,0|2,0,0]=4 2079 B7R0.13 CNC(F)(F)C(=O)[O-] 34a_100102657272_100020612412 [0,2,0,0,0,0|2,0,0]=4 2080 B7R0.13 COC(C)(C)C(=O)C 1458a_100000753492_200000210301 [0,2,0,0,0,0|1,0,0]=3 2081 B7R0.13 COC(C)(C)C(=O)C 34a_100000747739_200000210301 [0,2,0,0,0,0|1,0,0]=3 2082 B7R0.13 COC(C)(C)C(=O)C 7a_100000747739_200000210301 [0,2,0,0,0,0|1,0,0]=3 2083 B7R0.13 COC(C)(C)C(=O)N 34a_100011626353_200000210301 [0,2,0,0,0,0|1,0,0]=3 2084 B7R0.13 COC(C)(C)C(=O)N 34a_100138415774_100000702505 [0,2,0,0,0,0|1,0,0]=3 2085 B7R0.13 COC(C)(C)C(=O)N 7a_100011626353_200000210301 [0,2,0,0,0,0|1,0,0]=3 2086 B7R0.13 COC(C)(C)C(=O)[13CH3] 1458a_100000753492_200025704644 [0,2,0,0,0,0|1,0,0]=3 2087 B7R0.13 COC(C)(C)C(C)C 7a_100011215261_200000210301 [0,2,0,0,0,0|2,0,0]=4 2088 B7R0.13 COC(F)(F)C(=O)[O-] 34a_100138415774_100020612412 [0,2,0,0,0,0|2,0,0]=4 2089 B7R0.13 CSC(C)(C)C(=O)C 62a_100000075568_200000210301 [0,2,0,0,0,0|1,0,0]=3 2090 B7R0.13 CSC(C)(C)C(=O)C 62a_200000210301_100000075568 [0,2,0,0,0,0|1,0,0]=3 2091 B7R0.13 CSC(C)(C)C(=O)N 62a_100000702505_200000210301 [0,2,0,0,0,0|1,0,0]=3 2092 B7R0.13 CSC(C)(C)C(=O)N 62a_200000210301_100000702505 [0,2,0,0,0,0|1,0,0]=3 2093 B7R0.13 CSC(C)(C)[N+](=O)[O-] 62a_200000210301_200009813997 [0,2,0,0,0,0|2,0,0]=4 2094 B7R0.13 CSC(C)(C)[N+](=O)[O-] 62a_200009813997_200000210301 [0,2,0,0,0,0|2,0,0]=4 2095 B7R0.13 CSC(F)(F)C(=O)N 62a_100009811971_200000210301 [0,2,0,0,0,0|2,0,0]=4 2096 B7R0.13 CSC(F)(F)C(=O)N 62a_200000210301_100009811971 [0,2,0,0,0,0|2,0,0]=4 2097 B7R0.13 CSC(F)(F)C(=O)[O-] 62a_100000745680_200000210301 [0,2,0,0,0,0|2,0,0]=4 2098 B7R0.13 CSC(F)(F)C(=O)[O-] 62a_200000210301_100000745680 [0,2,0,0,0,0|2,0,0]=4 2099 B7R0.13 [13CH3]SC(F)(F)C(=O)N 62a_100009811971_200025704644 [0,2,0,0,0,0|2,0,0]=4 2100 B7R0.13 [13CH3]SC(F)(F)C(=O)N 62a_200025704644_100009811971 [0,2,0,0,0,0|2,0,0]=4 2101 B7R0.13 [13CH3]SC(F)(F)C(=O)[O-] 62a_100000745680_200025704644 [0,2,0,0,0,0|2,0,0]=4 2102 B7R0.13 [13CH3]SC(F)(F)C(=O)[O-] 62a_200025704644_100000745680 [0,2,0,0,0,0|2,0,0]=4 2103 B7R0.14 CCN(C)S(=O)(=O)C 40a_100000225621_100000738038 [0,2,0,0,0,0|2,0,0]=4 2104 B7R0.14 CNC(C)C(C)(C)O 269862a_106832991636_100000747739 [0,2,0,0,0,0|2,0,0]=4 2105 B7R0.14 CN[C@@H](C)C(C)(C)O 2230a_100025708725_200000210301 [0,2,0,0,0,0|2,0,0]=4 2106 B7R0.14 CN[C@H](C)C(C)(C)C 2230a_100025703359_200000210301 [0,2,0,0,0,0|2,0,0]=4 2107 B7R0.14 C[C@@H](N[13CH3])C(C)(C)C 2230a_100025703359_200025704644 [0,2,0,0,0,0|2,0,0]=4 2108 B7R0.14 C[C@H](N[13CH3])C(C)(C)O 2230a_100025708725_200025704644 [0,2,0,0,0,0|2,0,0]=4 2109 B7R0.15 C#CC(OC)C(C)C 34a_100011217124_200000210301 [0,2,0,0,0,0|1,0,1]=4 2110 B7R0.15 C#CC(OC)C(C)C 7a_100011217124_200000210301 [0,2,0,0,0,0|1,0,1]=4 2111 B7R0.15 C#CC(O[13CH3])C(C)C 34a_100011217124_200025704644 [0,2,0,0,0,0|1,0,1]=4 2112 B7R0.15 C#CC(O[13CH3])C(C)C 7a_100011217124_200025704644 [0,2,0,0,0,0|1,0,1]=4 2113 B7R0.15 C=CC(OC)C(C)C 34a_100000732651_200000210301 [0,2,0,0,0,0|1,0,0]=3 2114 B7R0.15 C=CC(OC)C(C)C 7a_100000732651_200000210301 [0,2,0,0,0,0|1,0,0]=3 2115 B7R0.15 C=CC(O[13CH3])C(C)C 34a_100000732651_200025704644 [0,2,0,0,0,0|1,0,0]=3 2116 B7R0.15 C=CC(O[13CH3])C(C)C 7a_100000732651_200025704644 [0,2,0,0,0,0|1,0,0]=3 2117 B7R0.15 C=C[C@H](NC)C(=O)O 269956a_100016992060_200000210301 [0,2,0,0,0,0|0,0,2]=4 2118 B7R0.15 C=C[C@H](N[13CH3])C(=O)O 269956a_100016992060_200025704644 [0,2,0,0,0,0|0,0,2]=4 2119 B7R0.15 CC(C)C(C#N)O[13CH3] 34a_100000748901_200025704644 [0,2,0,0,0,0|1,0,1]=4 2120 B7R0.15 CC(C)C(C#N)O[13CH3] 7a_100000748901_200025704644 [0,2,0,0,0,0|1,0,1]=4 2121 B7R0.15 CC(C)C(CN)O[13CH3] 34a_100000759067_200025704644 [0,2,0,0,0,0|1,0,1]=4 2122 B7R0.15 CC(C)[C@H](CO)N[13CH3] 2230a_100011830312_200025704644 [0,2,0,0,0,0|0,0,2]=4 2123 B7R0.15 CC(C)[C@H](CO)N[13CH3] 34a_100011830312_200025704644 [0,2,0,0,0,0|0,0,2]=4 2124 B7R0.15 CCC(CC)C(=O)C 1458a_100000070787_100000210505 [0,2,0,0,0,0|0,0,0]=2 2125 B7R0.15 CCC(CC)C(=O)C 1458a_100000211163_200000210301 [0,2,0,0,0,0|0,0,0]=2 2126 B7R0.15 CCC(CC)C(=O)[13CH3] 1458a_100000211163_200025704644 [0,2,0,0,0,0|0,0,0]=2 2127 B7R0.15 CCC(CC)N(C)C 2230a_100000737045_200000210301 [0,2,0,0,0,0|1,0,1]=4 2128 B7R0.15 CCC(CC)N(C)C 269982a_100000737045_200000210301 [0,2,0,0,0,0|1,0,1]=4 2129 B7R0.15 CCC(CC)N(C)C 269982a_100102631434_100000210505 [0,2,0,0,0,0|1,0,1]=4 2130 B7R0.15 CCC(CC)N(C)C 270004a_100102631434_100000210860 [0,2,0,0,0,0|1,0,1]=4 2131 B7R0.15 CCC(CC)N(C)[13CH3] 2230a_100000737045_200025704644 [0,2,0,0,0,0|1,0,1]=4 2132 B7R0.15 CCC(CC)N(C)[13CH3] 269982a_100000737045_200025704644 [0,2,0,0,0,0|1,0,1]=4 2133 B7R0.15 CCC(NC)C(=O)N 2230a_100000733705_200000210301 [0,2,0,0,0,0|0,0,0]=2 2134 B7R0.15 CCC(NC)C(=O)N 2230a_106832991635_100000750255 [0,2,0,0,0,0|0,0,0]=2 2135 B7R0.15 CCC(NC)C(=O)N 34a_100000733705_200000210301 [0,2,0,0,0,0|0,0,0]=2 2136 B7R0.15 CCC(NC)C(=O)N 34a_100102657272_100000750255 [0,2,0,0,0,0|0,0,0]=2 2137 B7R0.15 CCC(NC)C(=O)N 7a_106832991635_100000750255 [0,2,0,0,0,0|0,0,0]=2 2138 B7R0.15 CCC(NC)C(C)C 270004a_106832991635_100000210600 [0,2,0,0,0,0|1,0,1]=4 2139 B7R0.15 CCC(N[13CH3])C(=O)N 2230a_100000733705_200025704644 [0,2,0,0,0,0|0,0,0]=2 2140 B7R0.15 CCC(N[13CH3])C(=O)N 34a_100000733705_200025704644 [0,2,0,0,0,0|0,0,0]=2 2141 B7R0.15 CCC(OC)C(=O)C 1458a_100000747056_200000210301 [0,2,0,0,0,0|0,0,0]=2 2142 B7R0.15 CCC(OC)C(=O)N 34a_100138415774_100000750255 [0,2,0,0,0,0|0,0,0]=2 2143 B7R0.15 CCC(OC)C(=O)[13CH3] 1458a_100000747056_200025704644 [0,2,0,0,0,0|0,0,0]=2 2144 B7R0.15 CCC(OC)C(C)C 34a_100011218073_200000210301 [0,2,0,0,0,0|1,0,1]=4 2145 B7R0.15 CCC(OC)C(C)C 7a_100011218073_200000210301 [0,2,0,0,0,0|1,0,1]=4 2146 B7R0.15 CCC(O[13CH3])C(C)C 34a_100011218073_200025704644 [0,2,0,0,0,0|1,0,1]=4 2147 B7R0.15 CCC(O[13CH3])C(C)C 7a_100011218073_200025704644 [0,2,0,0,0,0|1,0,1]=4 2148 B7R0.15 CCC(SC)C(=O)N 62a_100000750255_200000210301 [0,2,0,0,0,0|0,0,0]=2 2149 B7R0.15 CCC(SC)C(=O)N 62a_200000210301_100000750255 [0,2,0,0,0,0|0,0,0]=2 2150 B7R0.15 CCC(S[13CH3])C(=O)N 62a_100000750255_200025704644 [0,2,0,0,0,0|0,0,0]=2 2151 B7R0.15 CCC(S[13CH3])C(=O)N 62a_200025704644_100000750255 [0,2,0,0,0,0|0,0,0]=2 2152 B7R0.15 CCN(CC)C(=O)C 11a_100000724800_100015343762 [0,2,0,0,0,0|1,0,0]=3 2153 B7R0.15 CCN(CC)C(=O)C 1626a_100000724800_100015343762 [0,2,0,0,0,0|1,0,0]=3 2154 B7R0.15 CCN(CC)C(=O)C 240690a_100000724800_100015343762 [0,2,0,0,0,0|1,0,0]=3 2155 B7R0.15 CCN(CC)C(=O)C 527a_100000724800_100103153847 [0,2,0,0,0,0|1,0,0]=3 2156 B7R0.15 CC[C@@H](NC)C(=O)O 269956a_100000747097_200000210301 [0,2,0,0,0,0|0,0,0]=2 2157 B7R0.15 CC[C@@H](N[13CH3])C(=O)O 269956a_100000747097_200025704644 [0,2,0,0,0,0|0,0,0]=2 2158 B7R0.15 CC[C@H](NC)[C@@H](C)O 2230a_100161114882_200000210301 [0,2,0,0,0,0|0,0,2]=4 2159 B7R0.15 CC[C@H](NC)[C@@H](C)O 34a_100161114882_200000210301 [0,2,0,0,0,0|0,0,2]=4 2160 B7R0.15 CC[C@H](N[13CH3])[C@@H](C)O 2230a_100161114882_200025704644 [0,2,0,0,0,0|0,0,2]=4 2161 B7R0.15 CC[C@H](N[13CH3])[C@@H](C)O 34a_100161114882_200025704644 [0,2,0,0,0,0|0,0,2]=4 2162 B7R0.15 CN(C)C(C=O)C=O 2230a_100102631434_100000736813 [0,2,0,0,0,0|1,0,1]=4 2163 B7R0.15 CNC(C#N)C(=O)N 2230a_100000039599_200000210301 [0,2,0,0,0,0|1,0,1]=4 2164 B7R0.15 CNC(CO)C(=O)O 269956a_100000187304_200000210301 [0,2,0,0,0,0|1,0,0]=3 2165 B7R0.15 CN[C@@H](CO)C(=O)N 2230a_100000729942_200000210301 [0,2,0,0,0,0|1,0,0]=3 2166 B7R0.15 CN[C@@H](CO)C(=O)N 34a_100000729942_200000210301 [0,2,0,0,0,0|1,0,0]=3 2167 B7R0.15 CN[C@@H](CO)C(C)C 2230a_100011830312_200000210301 [0,2,0,0,0,0|0,0,2]=4 2168 B7R0.15 CN[C@@H](CO)C(C)C 34a_100011830312_200000210301 [0,2,0,0,0,0|0,0,2]=4 2169 B7R0.15 CN[C@H](CO)[C@@H](C)O 2230a_100015196842_200000210301 [0,2,0,0,0,0|0,0,2]=4 2170 B7R0.15 CN[C@H](CO)[C@@H](C)O 34a_100015196842_200000210301 [0,2,0,0,0,0|0,0,2]=4 2171 B7R0.15 COC(C#N)C(C)C 34a_100000748901_200000210301 [0,2,0,0,0,0|1,0,1]=4 2172 B7R0.15 COC(C#N)C(C)C 7a_100000748901_200000210301 [0,2,0,0,0,0|1,0,1]=4 2173 B7R0.15 COC(CN)C(C)C 34a_100000759067_200000210301 [0,2,0,0,0,0|1,0,1]=4 2174 B7R0.15 COC(OC)C(=O)C 1458a_100000046285_200000210301 [0,2,0,0,0,0|1,0,0]=3 2175 B7R0.15 COC(OC)C(=O)[13CH3] 1458a_100000046285_200025704644 [0,2,0,0,0,0|1,0,0]=3 2176 B7R0.15 C[C@@H](O)[C@@H](CO)N[13CH3] 2230a_100015196842_200025704644 [0,2,0,0,0,0|0,0,2]=4 2177 B7R0.15 C[C@@H](O)[C@@H](CO)N[13CH3] 34a_100015196842_200025704644 [0,2,0,0,0,0|0,0,2]=4 2178 B7R0.15 [13CH3]NC(C#N)C(=O)N 2230a_100000039599_200025704644 [0,2,0,0,0,0|1,0,1]=4 2179 B7R0.15 [13CH3]NC(CO)C(=O)O 269956a_100000187304_200025704644 [0,2,0,0,0,0|1,0,0]=3 2180 B7R0.15 [13CH3]N[C@@H](CO)C(=O)N 2230a_100000729942_200025704644 [0,2,0,0,0,0|1,0,0]=3 2181 B7R0.15 [13CH3]N[C@@H](CO)C(=O)N 34a_100000729942_200025704644 [0,2,0,0,0,0|1,0,0]=3 2182 B7R0.16 CC(=O)C(C)C(=O)C 1458a_100000070787_100000179758 [0,2,0,0,0,0|0,0,1]=3 2183 B7R0.16 CC(=O)C(C)C(=O)N 1458a_100000070787_100000702099 [0,2,0,0,0,0|0,0,1]=3 2184 B7R0.16 CC(=O)C(C)C(C)C 1458a_100000755409_200000210301 [0,2,0,0,0,0|0,0,0]=2 2185 B7R0.16 CC(=O)C(C)N(C)C 2230a_100102631434_100009814033 [0,2,0,0,0,0|1,0,0]=3 2186 B7R0.16 CC(=O)C(C)N(C)C 269982a_100102631434_100009814033 [0,2,0,0,0,0|1,0,0]=3 2187 B7R0.16 CC(=O)C(F)C(=O)N 1458a_100000070787_100009813875 [0,2,0,0,0,0|1,0,1]=4 2188 B7R0.16 CC(=O)C(F)C(=O)[O-] 1458a_100000070787_100020610796 [0,2,0,0,0,0|1,0,1]=4 2189 B7R0.16 CC(=O)N(C)C(C)C 11a_200000211004_100015343762 [0,2,0,0,0,0|1,0,0]=3 2190 B7R0.16 CC(=O)N(C)C(C)C 1626a_200000211004_100015343762 [0,2,0,0,0,0|1,0,0]=3 2191 B7R0.16 CC(=O)N(C)C(C)C 240690a_200000211004_100015343762 [0,2,0,0,0,0|1,0,0]=3 2192 B7R0.16 CC(=O)N(C)C(C)C 527a_200000211004_100103153847 [0,2,0,0,0,0|1,0,0]=3 2193 B7R0.16 CC(=O)[C@H](C)N(C)C 1458a_100009822176_200000210301 [0,2,0,0,0,0|1,0,0]=3 2194 B7R0.16 CC(=O)[C@H](O)C(C)C 1458a_100000691806_200000210301 [0,2,0,0,0,0|1,0,0]=3 2195 B7R0.16 CC(C(=O)N)N(C)C 2230a_100102631434_100000702099 [0,2,0,0,0,0|1,0,0]=3 2196 B7R0.16 CC(C(=O)N)N(C)C 269982a_100102631434_100000184083 [0,2,0,0,0,0|1,0,0]=3 2197 B7R0.16 CC(C(=O)O)N(C)C 269956a_100000749554_200000210301 [0,2,0,0,0,0|1,0,0]=3 2198 B7R0.16 CC(C(=O)O)N(C)[13CH3] 269956a_100000749554_200025704644 [0,2,0,0,0,0|1,0,0]=3 2199 B7R0.16 CC(C)C(C)C(=O)[13CH3] 1458a_100000755409_200025704644 [0,2,0,0,0,0|0,0,0]=2 2200 B7R0.16 CC(C)C(C)N(C)C 2230a_100000228512_200000210301 [0,2,0,0,0,0|2,0,0]=4 2201 B7R0.16 CC(C)C(C)N(C)C 269982a_100000228512_200000210301 [0,2,0,0,0,0|2,0,0]=4 2202 B7R0.16 CC(C)C(C)N(C)[13CH3] 2230a_100000228512_200025704644 [0,2,0,0,0,0|2,0,0]=4 2203 B7R0.16 CC(C)C(C)N(C)[13CH3] 269982a_100000228512_200025704644 [0,2,0,0,0,0|2,0,0]=4 2204 B7R0.16 CC(C)[C@@H](O)C(=O)[13CH3] 1458a_100000691806_200025704644 [0,2,0,0,0,0|1,0,0]=3 2205 B7R0.16 CN(C)C(F)C(=O)N 2230a_100102631434_100009813875 [0,2,0,0,0,0|2,0,0]=4 2206 B7R0.16 CN(C)C(F)C(=O)N 269982a_100102631434_100009813875 [0,2,0,0,0,0|2,0,0]=4 2207 B7R0.16 C[C@@H](C(=O)[13CH3])N(C)C 1458a_100009822176_200025704644 [0,2,0,0,0,0|1,0,0]=3 2208 B7R0.18 C#CC(C)(C=C)OC 34a_100000033310_200000210301 [0,2,0,0,0,0|2,0,0]=4 2209 B7R0.18 C#CC(C)(C=C)OC 7a_100000033310_200000210301 [0,2,0,0,0,0|2,0,0]=4 2210 B7R0.18 C#CC(C)(C=C)O[13CH3] 34a_100000033310_200025704644 [0,2,0,0,0,0|2,0,0]=4 2211 B7R0.18 C#CC(C)(C=C)O[13CH3] 7a_100000033310_200025704644 [0,2,0,0,0,0|2,0,0]=4 2212 B7R0.18 C#CC(C)(CC)NC 2230a_100000054623_200000210301 [0,2,0,0,0,0|1,0,1]=4 2213 B7R0.18 C#CC(C)(CC)N[13CH3] 2230a_100000054623_200025704644 [0,2,0,0,0,0|1,0,1]=4 2214 B7R0.18 C#CC(C)(CC)OC 34a_100000686493_200000210301 [0,2,0,0,0,0|1,0,1]=4 2215 B7R0.18 C#CC(C)(CC)OC 7a_100000686493_200000210301 [0,2,0,0,0,0|1,0,1]=4 2216 B7R0.18 C#CC(C)(CC)O[13CH3] 34a_100000686493_200025704644 [0,2,0,0,0,0|1,0,1]=4 2217 B7R0.18 C#CC(C)(CC)O[13CH3] 7a_100000686493_200025704644 [0,2,0,0,0,0|1,0,1]=4 2218 B7R0.18 CCC(C)(C#N)OC 7a_100000760259_200000210301 [0,2,0,0,0,0|1,0,1]=4 2219 B7R0.18 CCC(C)(C#N)O[13CH3] 7a_100000760259_200025704644 [0,2,0,0,0,0|1,0,1]=4 2220 B7R0.18 CCC(C)(CC)NC 7a_106832991635_100009817345 [0,2,0,0,0,0|1,0,1]=4 2221 B7R0.18 CCC(C)(CC)OC 7a_100000755174_200000210301 [0,2,0,0,0,0|1,0,1]=4 2222 B7R0.18 CCC(C)(CC)O[13CH3] 7a_100000755174_200025704644 [0,2,0,0,0,0|1,0,1]=4 2223 B7R0.18 CCC(C)(CC)SC 62a_100009817345_200000210301 [0,2,0,0,0,0|1,0,1]=4 2224 B7R0.18 CCC(C)(CC)SC 62a_200000210301_100009817345 [0,2,0,0,0,0|1,0,1]=4 2225 B7R0.18 CCC(C)(CC)S[13CH3] 62a_100009817345_200025704644 [0,2,0,0,0,0|1,0,1]=4 2226 B7R0.18 CCC(C)(CC)S[13CH3] 62a_200025704644_100009817345 [0,2,0,0,0,0|1,0,1]=4 2227 B5R1.2 CN1CCC1 269982a_100000754969_200000210301 [1,0,0,1,0,0|1,0,1]=4 2228 B5R1.2 [13CH3]N1CCC1 269982a_100000754969_200025704644 [1,0,0,1,0,0|1,0,1]=4 2229 B5R1.3 CNC1CC1 34a_100000212008_200000210301 [1,0,0,1,0,0|1,0,1]=4 2230 B5R1.3 CNC1CC1 34a_100102657272_100000211595 [1,0,0,1,0,0|1,0,1]=4 2231 B5R1.3 COC1CC1 34a_100138415774_100000211595 [1,0,0,1,0,0|1,0,1]=4 2232 B5R1.3 CSC1CC1 62a_200000210301_100000211595 [1,0,0,1,0,0|1,0,1]=4 2233 B5R1.3 [13CH3]NC1CC1 34a_100000212008_200025704644 [1,0,0,1,0,0|1,0,1]=4 2234 B5R1.3 [13CH3]SC1CC1 62a_200025704644_100000211595 [1,0,0,1,0,0|1,0,1]=4 2235 B7R1.1 CCN1CC=CC1 269982a_100015195280_100000204670 [0,1,0,1,0,0|2,0,0]=4 2236 B7R1.1 CNC1CC=CC1 2230a_100015188752_200000210301 [0,1,0,1,0,0|2,0,0]=4 2237 B7R1.1 CNC1CCCC1 2230a_100000211070_200000210301 [0,1,0,1,0,0|1,0,1]=4 2238 B7R1.1 CNC1CCCC1 2230a_106832991635_100000179811 [0,1,0,1,0,0|1,0,1]=4 2239 B7R1.1 CNC1CCCC1 270004a_106832991635_100000210133 [0,1,0,1,0,0|1,0,1]=4 2240 B7R1.1 CNC1CCCC1 34a_100000211070_200000210301 [0,1,0,1,0,0|1,0,1]=4 2241 B7R1.1 CNC1CCCC1 34a_100102657272_100000179811 [0,1,0,1,0,0|1,0,1]=4 2242 B7R1.1 CNC1CCCC1 7a_106832991635_100000179811 [0,1,0,1,0,0|1,0,1]=4 2243 B7R1.1 CNC1CCOC1 2230a_106832991635_100000731011 [0,1,0,1,0,0|0,0,2]=4 2244 B7R1.1 CNC1CCOC1 270004a_106832991635_100000752484 [0,1,0,1,0,0|0,0,2]=4 2245 B7R1.1 CNC1CCOC1 34a_100102657272_100000690089 [0,1,0,1,0,0|0,0,2]=4 2246 B7R1.1 CNC1CCOC1 7a_106832991635_100000731011 [0,1,0,1,0,0|0,0,2]=4 2247 B7R1.1 CNC1CCSC1 270004a_106832991635_100000212027 [0,1,0,1,0,0|0,1,1]=4 2248 B7R1.1 CN[C@@H]1CCOC1 2230a_200015188469_200000210301 [0,1,0,1,0,0|0,0,2]=4 2249 B7R1.1 CN[C@H]1CCOC1 2230a_100015188467_200000210301 [0,1,0,1,0,0|0,0,2]=4 2250 B7R1.1 CN[C@H]1CCOC1 34a_100015188467_200000210301 [0,1,0,1,0,0|0,0,2]=4 2251 B7R1.1 COC1CCCC1 34a_100000210269_200000210301 [0,1,0,1,0,0|1,0,1]=4 2252 B7R1.1 COC1CCCC1 34a_100138415774_100000179811 [0,1,0,1,0,0|1,0,1]=4 2253 B7R1.1 COC1CCCC1 7a_100000210269_200000210301 [0,1,0,1,0,0|1,0,1]=4 2254 B7R1.1 COC1CCCO1 34a_100000085407_200000210301 [0,1,0,1,0,0|2,0,0]=4 2255 B7R1.1 COC1CCOC1 34a_100138415774_100000690089 [0,1,0,1,0,0|0,0,2]=4 2256 B7R1.1 COC1CCSC1 7a_100011232664_200000210301 [0,1,0,1,0,0|0,1,1]=4 2257 B7R1.1 CO[C@H]1CCOC1 34a_100000717292_200000210301 [0,1,0,1,0,0|0,0,2]=4 2258 B7R1.1 CSC1CCCC1 62a_100011217020_200000210301 [0,1,0,1,0,0|1,0,1]=4 2259 B7R1.1 CSC1CCCC1 62a_200000210301_100000179811 [0,1,0,1,0,0|1,0,1]=4 2260 B7R1.1 CSC1CCOC1 62a_200000210301_100000690089 [0,1,0,1,0,0|0,0,2]=4 2261 B7R1.1 [13CH3]NC1CC=CC1 2230a_100015188752_200025704644 [0,1,0,1,0,0|2,0,0]=4 2262 B7R1.1 [13CH3]NC1CCCC1 2230a_100000211070_200025704644 [0,1,0,1,0,0|1,0,1]=4 2263 B7R1.1 [13CH3]NC1CCCC1 34a_100000211070_200025704644 [0,1,0,1,0,0|1,0,1]=4 2264 B7R1.1 [13CH3]N[C@@H]1CCOC1 2230a_200015188469_200025704644 [0,1,0,1,0,0|0,0,2]=4 2265 B7R1.1 [13CH3]N[C@H]1CCOC1 2230a_100015188467_200025704644 [0,1,0,1,0,0|0,0,2]=4 2266 B7R1.1 [13CH3]N[C@H]1CCOC1 34a_100015188467_200025704644 [0,1,0,1,0,0|0,0,2]=4 2267 B7R1.1 [13CH3]OC1CCCC1 34a_100000210269_200025704644 [0,1,0,1,0,0|1,0,1]=4 2268 B7R1.1 [13CH3]OC1CCCC1 7a_100000210269_200025704644 [0,1,0,1,0,0|1,0,1]=4 2269 B7R1.1 [13CH3]OC1CCCO1 34a_100000085407_200025704644 [0,1,0,1,0,0|2,0,0]=4 2270 B7R1.1 [13CH3]OC1CCSC1 7a_100011232664_200025704644 [0,1,0,1,0,0|0,1,1]=4 2271 B7R1.1 [13CH3]O[C@H]1CCOC1 34a_100000717292_200025704644 [0,1,0,1,0,0|0,0,2]=4 2272 B7R1.1 [13CH3]SC1CCCC1 62a_100011217020_200025704644 [0,1,0,1,0,0|1,0,1]=4 2273 B7R1.1 [13CH3]SC1CCCC1 62a_200025704644_100000179811 [0,1,0,1,0,0|1,0,1]=4 2274 B7R1.1 [13CH3]SC1CCOC1 62a_200025704644_100000690089 [0,1,0,1,0,0|0,0,2]=4 2275 B7R1.2 CN1CNC(=O)C1 2230a_200000708111_200000210301 [0,1,0,1,0,0|2,0,0]=4 2276 B7R1.2 C[C@@H]1CCN(C1)C 2230a_100016987628_200000210301 [0,1,0,1,0,0|1,0,1]=4 2277 B7R1.2 C[C@@H]1CCN(C1)C 269982a_100016987628_200000210301 [0,1,0,1,0,0|1,0,1]=4 2278 B7R1.2 C[C@@H]1CCN(C1)C 34a_100016987628_200000210301 [0,1,0,1,0,0|1,0,1]=4 2279 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 2230a_100016987628_200025704644 [0,1,0,1,0,0|1,0,1]=4 2280 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 269982a_100016987628_200025704644 [0,1,0,1,0,0|1,0,1]=4 2281 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 34a_100016987628_200025704644 [0,1,0,1,0,0|1,0,1]=4 2282 B7R1.2 [13CH3]N1CNC(=O)C1 2230a_200000708111_200025704644 [0,1,0,1,0,0|2,0,0]=4 2283 B7R1.3 CN1CC=CCC1 2230a_100000698166_200000210301 [0,1,0,1,0,0|2,0,0]=4 2284 B7R1.3 CN1CC=CCC1 269982a_100000698166_200000210301 [0,1,0,1,0,0|2,0,0]=4 2285 B7R1.3 CN1CC=CCC1 34a_100000698166_200000210301 [0,1,0,1,0,0|2,0,0]=4 2286 B7R1.3 [13CH3]N1CC=CCC1 2230a_100000698166_200025704644 [0,1,0,1,0,0|2,0,0]=4 2287 B7R1.3 [13CH3]N1CC=CCC1 269982a_100000698166_200025704644 [0,1,0,1,0,0|2,0,0]=4 2288 B7R1.3 [13CH3]N1CC=CCC1 34a_100000698166_200025704644 [0,1,0,1,0,0|2,0,0]=4 2289 B7R1.4 CC1SCCN1C 2230a_200011216479_200000210301 [0,1,0,1,0,0|2,0,0]=4 2290 B7R1.4 CC1SCCN1C 269982a_200011216479_200000210301 [0,1,0,1,0,0|2,0,0]=4 2291 B7R1.4 CC1SCCN1C 34a_200011216479_200000210301 [0,1,0,1,0,0|2,0,0]=4 2292 B7R1.4 CC1SCCN1[13CH3] 2230a_200011216479_200025704644 [0,1,0,1,0,0|2,0,0]=4 2293 B7R1.4 CC1SCCN1[13CH3] 269982a_200011216479_200025704644 [0,1,0,1,0,0|2,0,0]=4 2294 B7R1.4 CC1SCCN1[13CH3] 34a_200011216479_200025704644 [0,1,0,1,0,0|2,0,0]=4 2295 B7R1.4 C[C@@H]1CCCN1C 2230a_100015189458_200000210301 [0,1,0,1,0,0|2,0,0]=4 2296 B7R1.4 C[C@@H]1CCCN1C 269982a_100015189458_200000210301 [0,1,0,1,0,0|2,0,0]=4 2297 B7R1.4 C[C@@H]1CCCN1C 34a_100015189458_200000210301 [0,1,0,1,0,0|2,0,0]=4 2298 B7R1.4 C[C@@H]1CCCN1[13CH3] 2230a_100015189458_200025704644 [0,1,0,1,0,0|2,0,0]=4 2299 B7R1.4 C[C@@H]1CCCN1[13CH3] 269982a_100015189458_200025704644 [0,1,0,1,0,0|2,0,0]=4 2300 B7R1.4 C[C@@H]1CCCN1[13CH3] 34a_100015189458_200025704644 [0,1,0,1,0,0|2,0,0]=4 2301 B7R1.4 C[C@H]1CCCN1C 2230a_100020605311_200000210301 [0,1,0,1,0,0|2,0,0]=4 2302 B7R1.4 C[C@H]1CCCN1C 269982a_100020605311_200000210301 [0,1,0,1,0,0|2,0,0]=4 2303 B7R1.4 C[C@H]1CCCN1[13CH3] 2230a_100020605311_200025704644 [0,1,0,1,0,0|2,0,0]=4 2304 B7R1.4 C[C@H]1CCCN1[13CH3] 269982a_100020605311_200025704644 [0,1,0,1,0,0|2,0,0]=4 2305 B7R1.5 CC1CC1CO[13CH3] 34a_100000744939_200025704644 [0,1,0,1,0,0|0,0,2]=4 2306 B7R1.5 CC1CC1CO[13CH3] 7a_100000744939_200025704644 [0,1,0,1,0,0|0,0,2]=4 2307 B7R1.5 CCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000210202 [0,1,0,1,0,0|1,0,1]=4 2308 B7R1.5 CCN[C@@H]1C[C@H]1F 2230a_100025746932_100000210202 [0,1,0,1,0,0|1,0,1]=4 2309 B7R1.5 CCN[C@@H]1C[C@H]1F 34a_100025746932_100000210202 [0,1,0,1,0,0|1,0,1]=4 2310 B7R1.5 COCC1CC1C 34a_100000744939_200000210301 [0,1,0,1,0,0|0,0,2]=4 2311 B7R1.5 COCC1CC1C 7a_100000744939_200000210301 [0,1,0,1,0,0|0,0,2]=4 2312 B7R1.6 C=CCN1CCC1 269982a_100000754969_100000210623 [0,1,0,1,0,0|2,0,0]=4 2313 B7R1.6 CCNC1CCC1 2230a_100000749019_100000210202 [0,1,0,1,0,0|1,0,1]=4 2314 B7R1.6 CCNC1CCC1 270004a_100015525214_100000241760 [0,1,0,1,0,0|1,0,1]=4 2315 B7R1.6 CCNC1CCC1 34a_100000749019_100000210202 [0,1,0,1,0,0|1,0,1]=4 2316 B7R1.6 CCNC1COC1 2230a_100016991112_100000210202 [0,1,0,1,0,0|0,0,2]=4 2317 B7R1.6 CCOC1CCC1 34a_100000748187_100000210202 [0,1,0,1,0,0|1,0,1]=4 2318 B7R1.6 CCOC1CCC1 34a_100121572206_100000749161 [0,1,0,1,0,0|1,0,1]=4 2319 B7R1.6 CCOC1COC1 34a_100121572206_100009818527 [0,1,0,1,0,0|0,0,2]=4 2320 B7R1.6 CCOC1CSC1 7a_100000072292_100000210202 [0,1,0,1,0,0|0,1,1]=4 2321 B7R1.6 CCSC1CCC1 62a_100000210202_100000749161 [0,1,0,1,0,0|1,0,1]=4 2322 B7R1.6 CCSC1COC1 62a_100000210202_100009818527 [0,1,0,1,0,0|0,0,2]=4 2323 B7R1.6 CNCC1CCC1 2230a_100000738700_200000210301 [0,1,0,1,0,0|1,0,1]=4 2324 B7R1.6 CNCC1CCC1 2230a_106832991635_100000763275 [0,1,0,1,0,0|1,0,1]=4 2325 B7R1.6 CNCC1CCC1 269862a_106832991636_100000753134 [0,1,0,1,0,0|1,0,1]=4 2326 B7R1.6 CNCC1CCC1 34a_100000738700_200000210301 [0,1,0,1,0,0|1,0,1]=4 2327 B7R1.6 CNCC1CCC1 34a_100102657272_100000763275 [0,1,0,1,0,0|1,0,1]=4 2328 B7R1.6 CNCC1CCC1 7a_106832991635_100000763275 [0,1,0,1,0,0|1,0,1]=4 2329 B7R1.6 CNCC1CCO1 2230a_106832991635_100000103362 [0,1,0,1,0,0|2,0,0]=4 2330 B7R1.6 CNCC1CCO1 34a_100102657272_100000103362 [0,1,0,1,0,0|2,0,0]=4 2331 B7R1.6 CNCC1CCO1 7a_106832991635_100000103362 [0,1,0,1,0,0|2,0,0]=4 2332 B7R1.6 CNCC1COC1 2230a_100015281925_200000210301 [0,1,0,1,0,0|0,0,2]=4 2333 B7R1.6 CNCC1COC1 2230a_106832991635_100010264016 [0,1,0,1,0,0|0,0,2]=4 2334 B7R1.6 CNCC1COC1 34a_100015281925_200000210301 [0,1,0,1,0,0|0,0,2]=4 2335 B7R1.6 CNCC1COC1 34a_100102657272_100010264016 [0,1,0,1,0,0|0,0,2]=4 2336 B7R1.6 CNCC1COC1 7a_106832991635_100010264016 [0,1,0,1,0,0|0,0,2]=4 2337 B7R1.6 CNC[C@@H]1CCO1 2230a_100020831831_200000210301 [0,1,0,1,0,0|2,0,0]=4 2338 B7R1.6 CNC[C@@H]1CCO1 34a_100020831831_200000210301 [0,1,0,1,0,0|2,0,0]=4 2339 B7R1.6 COCC1CCC1 34a_100000760304_200000210301 [0,1,0,1,0,0|0,0,2]=4 2340 B7R1.6 COCC1CCC1 34a_100138415774_100000763275 [0,1,0,1,0,0|0,0,2]=4 2341 B7R1.6 COCC1CCO1 34a_100000039022_200000210301 [0,1,0,1,0,0|2,0,0]=4 2342 B7R1.6 COCC1CCO1 34a_100138415774_100000103362 [0,1,0,1,0,0|2,0,0]=4 2343 B7R1.6 COCC1CNC1 34a_100016987283_200000210301 [0,1,0,1,0,0|1,0,1]=4 2344 B7R1.6 COCC1COC1 34a_100000060846_200000210301 [0,1,0,1,0,0|0,0,2]=4 2345 B7R1.6 COCC1COC1 34a_100138415774_100010264016 [0,1,0,1,0,0|0,0,2]=4 2346 B7R1.6 CSCC1CCC1 62a_100000763275_200000210301 [0,1,0,1,0,0|0,1,1]=4 2347 B7R1.6 CSCC1CCC1 62a_200000210301_100000763275 [0,1,0,1,0,0|0,1,1]=4 2348 B7R1.6 CSCC1CCO1 62a_100000103362_200000210301 [0,1,0,1,0,0|2,0,0]=4 2349 B7R1.6 CSCC1CCO1 62a_200000210301_100000103362 [0,1,0,1,0,0|2,0,0]=4 2350 B7R1.6 CSCC1COC1 62a_100010264016_200000210301 [0,1,0,1,0,0|0,0,2]=4 2351 B7R1.6 CSCC1COC1 62a_200000210301_100010264016 [0,1,0,1,0,0|0,0,2]=4 2352 B7R1.6 FCNC1CCC1 34a_100000749019_100015361967 [0,1,0,1,0,0|1,0,1]=4 2353 B7R1.6 FCOC1CCC1 34a_100000748187_100015361967 [0,1,0,1,0,0|1,0,1]=4 2354 B7R1.6 FCSC1CCC1 62a_100015361967_100000749161 [0,1,0,1,0,0|1,0,1]=4 2355 B7R1.6 O=CCN1CCC1 269982a_100000754969_200015260668 [0,1,0,1,0,0|1,0,0]=3 2356 B7R1.6 [13CH3]NCC1CCC1 2230a_100000738700_200025704644 [0,1,0,1,0,0|1,0,1]=4 2357 B7R1.6 [13CH3]NCC1CCC1 34a_100000738700_200025704644 [0,1,0,1,0,0|1,0,1]=4 2358 B7R1.6 [13CH3]NCC1COC1 2230a_100015281925_200025704644 [0,1,0,1,0,0|0,0,2]=4 2359 B7R1.6 [13CH3]NCC1COC1 34a_100015281925_200025704644 [0,1,0,1,0,0|0,0,2]=4 2360 B7R1.6 [13CH3]NC[C@@H]1CCO1 2230a_100020831831_200025704644 [0,1,0,1,0,0|2,0,0]=4 2361 B7R1.6 [13CH3]NC[C@@H]1CCO1 34a_100020831831_200025704644 [0,1,0,1,0,0|2,0,0]=4 2362 B7R1.6 [13CH3]OCC1CCC1 34a_100000760304_200025704644 [0,1,0,1,0,0|0,0,2]=4 2363 B7R1.6 [13CH3]OCC1CCO1 34a_100000039022_200025704644 [0,1,0,1,0,0|2,0,0]=4 2364 B7R1.6 [13CH3]OCC1CNC1 34a_100016987283_200025704644 [0,1,0,1,0,0|1,0,1]=4 2365 B7R1.6 [13CH3]OCC1COC1 34a_100000060846_200025704644 [0,1,0,1,0,0|0,0,2]=4 2366 B7R1.6 [13CH3]SCC1CCC1 62a_100000763275_200025704644 [0,1,0,1,0,0|0,1,1]=4 2367 B7R1.6 [13CH3]SCC1CCC1 62a_200025704644_100000763275 [0,1,0,1,0,0|0,1,1]=4 2368 B7R1.6 [13CH3]SCC1CCO1 62a_100000103362_200025704644 [0,1,0,1,0,0|2,0,0]=4 2369 B7R1.6 [13CH3]SCC1CCO1 62a_200025704644_100000103362 [0,1,0,1,0,0|2,0,0]=4 2370 B7R1.6 [13CH3]SCC1COC1 62a_100010264016_200025704644 [0,1,0,1,0,0|0,0,2]=4 2371 B7R1.6 [13CH3]SCC1COC1 62a_200025704644_100010264016 [0,1,0,1,0,0|0,0,2]=4 2372 B7R1.8 CC1CCN1CF 269982a_100000755817_100015361967 [0,1,0,1,0,0|1,0,1]=4 2373 B7R1.8 CC1CCN1CF 34a_100000755817_100015361967 [0,1,0,1,0,0|1,0,1]=4 2374 B7R1.8 CCN1CCC1C 269982a_100000755817_100000204670 [0,1,0,1,0,0|1,0,1]=4 2375 B7R1.8 CCN1CCC1C 34a_100000755817_100000210202 [0,1,0,1,0,0|1,0,1]=4 2376 B7R1.8 CNC1CCC1=O 34a_100102657272_100009892977 [0,1,0,1,0,0|0,0,0]=2 2377 B7R1.8 CNC1CCC1=O 7a_106832991635_100009892977 [0,1,0,1,0,0|0,0,0]=2 2378 B7R1.8 COC1CCC1=O 34a_100138415774_100009892977 [0,1,0,1,0,0|0,0,0]=2 2379 B7R1.8 CSC1CCC1=O 62a_100009892977_200000210301 [0,1,0,1,0,0|0,0,0]=2 2380 B7R1.8 CSC1CCC1=O 62a_200000210301_100009892977 [0,1,0,1,0,0|0,0,0]=2 2381 B7R1.8 [13CH3]SC1CCC1=O 62a_100009892977_200025704644 [0,1,0,1,0,0|0,0,0]=2 2382 B7R1.8 [13CH3]SC1CCC1=O 62a_200025704644_100009892977 [0,1,0,1,0,0|0,0,0]=2 2383 B7R1.10 C=C1CC(C1)NC 2230a_100132301982_200000210301 [0,1,0,1,0,0|2,0,0]=4 2384 B7R1.10 C=C1CC(C1)N[13CH3] 2230a_100132301982_200025704644 [0,1,0,1,0,0|2,0,0]=4 2385 B7R1.10 CCC1CN(C1)C 2230a_100015205115_200000210301 [0,1,0,1,0,0|1,0,1]=4 2386 B7R1.10 CCC1CN(C1)C 269982a_100015205115_200000210301 [0,1,0,1,0,0|1,0,1]=4 2387 B7R1.10 CCC1CN(C1)[13CH3] 2230a_100015205115_200025704644 [0,1,0,1,0,0|1,0,1]=4 2388 B7R1.10 CCC1CN(C1)[13CH3] 269982a_100015205115_200025704644 [0,1,0,1,0,0|1,0,1]=4 2389 B7R1.10 CN1CC(C1)CF 269982a_100010363649_200000210301 [0,1,0,1,0,0|1,0,1]=4 2390 B7R1.10 CN1CC(C1)CF 34a_100010363649_200000210301 [0,1,0,1,0,0|1,0,1]=4 2391 B7R1.10 CN1CC(C1)CO 269982a_100016987283_200000210301 [0,1,0,1,0,0|0,0,2]=4 2392 B7R1.10 CN1CC(C1)CO 34a_100016987283_200000210301 [0,1,0,1,0,0|0,0,2]=4 2393 B7R1.10 CNC1CC(C1)F 2230a_100016993743_200000210301 [0,1,0,1,0,0|2,0,0]=4 2394 B7R1.10 CN[C@H]1C[C@@H](C1)O 2230a_100020629032_200000210301 [0,1,0,1,0,0|2,0,0]=4 2395 B7R1.10 COC1CN(C1)C 269982a_100000755009_200000210301 [0,1,0,1,0,0|2,0,0]=4 2396 B7R1.10 COC1CN(C1)[13CH3] 269982a_100000755009_200025704644 [0,1,0,1,0,0|2,0,0]=4 2397 B7R1.10 CSC1CC(=O)C1 62a_100009894365_200000210301 [0,1,0,1,0,0|1,0,0]=3 2398 B7R1.10 CSC1CN(C1)C 269982a_100016990038_200000210301 [0,1,0,1,0,0|2,0,0]=4 2399 B7R1.10 CSC1CN(C1)[13CH3] 269982a_100016990038_200025704644 [0,1,0,1,0,0|2,0,0]=4 2400 B7R1.10 [13CH3]N1CC(C1)CF 269982a_100010363649_200025704644 [0,1,0,1,0,0|1,0,1]=4 2401 B7R1.10 [13CH3]N1CC(C1)CF 34a_100010363649_200025704644 [0,1,0,1,0,0|1,0,1]=4 2402 B7R1.10 [13CH3]N1CC(C1)CO 269982a_100016987283_200025704644 [0,1,0,1,0,0|0,0,2]=4 2403 B7R1.10 [13CH3]N1CC(C1)CO 34a_100016987283_200025704644 [0,1,0,1,0,0|0,0,2]=4 2404 B7R1.10 [13CH3]NC1CC(C1)F 2230a_100016993743_200025704644 [0,1,0,1,0,0|2,0,0]=4 2405 B7R1.10 [13CH3]N[C@H]1C[C@@H](C1)O 2230a_100020629032_200025704644 [0,1,0,1,0,0|2,0,0]=4 2406 B7R1.10 [13CH3]SC1CC(=O)C1 62a_100009894365_200025704644 [0,1,0,1,0,0|1,0,0]=3 2407 B7R1.15 C[C@H]1[C@H](CN1C)O 2230a_206633788156_200000210301 [0,1,0,1,0,0|2,0,0]=4 2408 B7R1.15 C[C@H]1[C@H](CN1C)O 269982a_206633788156_200000210301 [0,1,0,1,0,0|2,0,0]=4 2409 B7R1.15 C[C@H]1[C@H](CN1[13CH3])O 2230a_206633788156_200025704644 [0,1,0,1,0,0|2,0,0]=4 2410 B7R1.15 C[C@H]1[C@H](CN1[13CH3])O 269982a_206633788156_200025704644 [0,1,0,1,0,0|2,0,0]=4 2411 B7R1.21 CC1(CC1)CN[13CH3] 2230a_100000766693_200025704644 [0,1,0,1,0,0|1,0,1]=4 2412 B7R1.21 CC1(CC1)CO[13CH3] 7a_100000698024_200025704644 [0,1,0,1,0,0|0,0,2]=4 2413 B7R1.21 CC1(CC1)OCF 7a_100011725673_100015361967 [0,1,0,1,0,0|1,0,1]=4 2414 B7R1.21 CC1(CO1)CS[13CH3] 62a_100000760498_200025704644 [0,1,0,1,0,0|0,0,2]=4 2415 B7R1.21 CC1(CO1)CS[13CH3] 62a_200025704644_100000760498 [0,1,0,1,0,0|0,0,2]=4 2416 B7R1.21 CCNC1(CC1)C 2230a_100000757604_100000210202 [0,1,0,1,0,0|1,0,1]=4 2417 B7R1.21 CCOC1(CC1)C 7a_100011725673_100000210202 [0,1,0,1,0,0|1,0,1]=4 2418 B7R1.21 CNCC1(CC1)C 2230a_100000766693_200000210301 [0,1,0,1,0,0|1,0,1]=4 2419 B7R1.21 CNCC1(CO1)C 34a_100102657272_100000760498 [0,1,0,1,0,0|0,0,2]=4 2420 B7R1.21 COCC1(CC1)C 7a_100000698024_200000210301 [0,1,0,1,0,0|0,0,2]=4 2421 B7R1.21 COCC1(CO1)C 34a_100138415774_100000760498 [0,1,0,1,0,0|0,0,2]=4 2422 B7R1.21 CSCC1(CO1)C 62a_100000760498_200000210301 [0,1,0,1,0,0|0,0,2]=4 2423 B7R1.21 CSCC1(CO1)C 62a_200000210301_100000760498 [0,1,0,1,0,0|0,0,2]=4 2424 B7R1.22 CC(N[13CH3])C1CC1 2230a_100000700016_200025704644 [0,1,0,1,0,0|2,0,0]=4 2425 B7R1.22 CC(N[13CH3])C1CC1 34a_100000700016_200025704644 [0,1,0,1,0,0|2,0,0]=4 2426 B7R1.22 CC(O[13CH3])C1CC1 34a_100000744524_200025704644 [0,1,0,1,0,0|2,0,0]=4 2427 B7R1.22 CC(O[13CH3])C1CC1 7a_100000744524_200025704644 [0,1,0,1,0,0|2,0,0]=4 2428 B7R1.22 CNC(C)C1CC1 2230a_100000700016_200000210301 [0,1,0,1,0,0|2,0,0]=4 2429 B7R1.22 CNC(C)C1CC1 269862a_106832991636_100000210639 [0,1,0,1,0,0|2,0,0]=4 2430 B7R1.22 CNC(C)C1CC1 34a_100000700016_200000210301 [0,1,0,1,0,0|2,0,0]=4 2431 B7R1.22 CNC(C)C1CO1 270004a_106832991635_100000031964 [0,1,0,1,0,0|2,0,0]=4 2432 B7R1.22 COC(C)C1CC1 34a_100000744524_200000210301 [0,1,0,1,0,0|2,0,0]=4 2433 B7R1.22 COC(C)C1CC1 7a_100000744524_200000210301 [0,1,0,1,0,0|2,0,0]=4 2434 B7R1.25 CC1(CCC1)N[13CH3] 2230a_100000692455_200025704644 [0,1,0,1,0,0|2,0,0]=4 2435 B7R1.25 CC1(CCC1)N[13CH3] 34a_100000692455_200025704644 [0,1,0,1,0,0|2,0,0]=4 2436 B7R1.25 CC1(CCC1)O[13CH3] 34a_100000759064_200025704644 [0,1,0,1,0,0|2,0,0]=4 2437 B7R1.25 CC1(CCC1)O[13CH3] 7a_100000759064_200025704644 [0,1,0,1,0,0|2,0,0]=4 2438 B7R1.25 CC1(COC1)N[13CH3] 2230a_100000732644_200025704644 [0,1,0,1,0,0|2,0,0]=4 2439 B7R1.25 CC1(CSC1)O[13CH3] 7a_100016018533_200025704644 [0,1,0,1,0,0|2,0,0]=4 2440 B7R1.25 CNC1(CCC1)C 2230a_100000692455_200000210301 [0,1,0,1,0,0|2,0,0]=4 2441 B7R1.25 CNC1(CCC1)C 34a_100000692455_200000210301 [0,1,0,1,0,0|2,0,0]=4 2442 B7R1.25 CNC1(COC1)C 2230a_100000732644_200000210301 [0,1,0,1,0,0|2,0,0]=4 2443 B7R1.25 COC1(CCC1)C 34a_100000759064_200000210301 [0,1,0,1,0,0|2,0,0]=4 2444 B7R1.25 COC1(CCC1)C 7a_100000759064_200000210301 [0,1,0,1,0,0|2,0,0]=4 2445 B7R1.25 COC1(CSC1)C 7a_100016018533_200000210301 [0,1,0,1,0,0|2,0,0]=4 2446 B7R1.12 CC(=O)C1CC1C 1458a_100000211227_200000210301 [0,1,0,1,0,0|0,0,0]=2 2447 B7R1.12 CC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_200000210301 [0,1,0,1,0,0|1,0,0]=3 2448 B7R1.12 CC1CC1C(=O)[13CH3] 1458a_100000211227_200025704644 [0,1,0,1,0,0|0,0,0]=2 2449 B7R1.12 [13CH3]C(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_200025704644 [0,1,0,1,0,0|1,0,0]=3 2450 B7R1.18 CC(=O)C1CCC1 1458a_100000070787_100000749161 [0,1,0,1,0,0|0,0,0]=2 2451 B7R1.18 CC(=O)C1CCC1 1458a_100000209988_200000210301 [0,1,0,1,0,0|0,0,0]=2 2452 B7R1.18 CC(=O)C1CCO1 1458a_100000089072_200000210301 [0,1,0,1,0,0|1,0,0]=3 2453 B7R1.18 CC(=O)C1COC1 1458a_100000070787_100000687716 [0,1,0,1,0,0|1,0,0]=3 2454 B7R1.18 CC(=O)C1COC1 1458a_100000758290_200000210301 [0,1,0,1,0,0|1,0,0]=3 2455 B7R1.18 CC(=O)N1CCC1 11a_100000754969_100015343762 [0,1,0,1,0,0|1,0,0]=3 2456 B7R1.18 CC(=O)N1CCC1 240690a_100000754969_100015343762 [0,1,0,1,0,0|1,0,0]=3 2457 B7R1.18 CC(=O)N1CCC1 527a_100000754969_100103153847 [0,1,0,1,0,0|1,0,0]=3 2458 B7R1.18 CN(C)C1CCC1 2230a_100000758072_200000210301 [0,1,0,1,0,0|2,0,0]=4 2459 B7R1.18 CN(C)C1CCC1 269982a_100000758072_200000210301 [0,1,0,1,0,0|2,0,0]=4 2460 B7R1.18 CN(C)C1CCC1 269982a_100102631434_100000749161 [0,1,0,1,0,0|2,0,0]=4 2461 B7R1.18 CN(C)C1CCC1 270004a_100102631434_100000241760 [0,1,0,1,0,0|2,0,0]=4 2462 B7R1.18 CN(C)C1CCC1 34a_100000758072_200000210301 [0,1,0,1,0,0|2,0,0]=4 2463 B7R1.18 CN([13CH3])C1CCC1 2230a_100000758072_200025704644 [0,1,0,1,0,0|2,0,0]=4 2464 B7R1.18 CN([13CH3])C1CCC1 269982a_100000758072_200025704644 [0,1,0,1,0,0|2,0,0]=4 2465 B7R1.18 CN([13CH3])C1CCC1 34a_100000758072_200025704644 [0,1,0,1,0,0|2,0,0]=4 2466 B7R1.18 [13CH3]C(=O)C1CCC1 1458a_100000209988_200025704644 [0,1,0,1,0,0|0,0,0]=2 2467 B7R1.18 [13CH3]C(=O)C1CCO1 1458a_100000089072_200025704644 [0,1,0,1,0,0|1,0,0]=3 2468 B7R1.18 [13CH3]C(=O)C1COC1 1458a_100000758290_200025704644 [0,1,0,1,0,0|1,0,0]=3 2469 B7R1.19 CC(=O)C1(CC1)C 1458a_100000756474_200000210301 [0,1,0,1,0,0|0,0,0]=2 2470 B7R1.19 CC(=O)C1(CC1)F 1458a_100000055089_200000210301 [0,1,0,1,0,0|1,0,0]=3 2471 B7R1.19 CC(=O)C1(CC1)O 1458a_100000241761_200000210301 [0,1,0,1,0,0|1,0,0]=3 2472 B7R1.19 CC1(CC1)C(=O)[13CH3] 1458a_100000756474_200025704644 [0,1,0,1,0,0|0,0,0]=2 2473 B7R1.19 [13CH3]C(=O)C1(CC1)F 1458a_100000055089_200025704644 [0,1,0,1,0,0|1,0,0]=3 2474 B7R1.19 [13CH3]C(=O)C1(CC1)O 1458a_100000241761_200025704644 [0,1,0,1,0,0|1,0,0]=3 2475 B7R1.29 C#CC1(CC1)NC 34a_100020639468_200000210301 [0,1,0,1,0,0|1,0,1]=4 2476 B7R1.29 C#CC1(CC1)N[13CH3] 34a_100020639468_200025704644 [0,1,0,1,0,0|1,0,1]=4 2477 B7R1.29 CCC1(CC1)NC 2230a_100000732774_200000210301 [0,1,0,1,0,0|1,0,1]=4 2478 B7R1.29 CCC1(CC1)N[13CH3] 2230a_100000732774_200025704644 [0,1,0,1,0,0|1,0,1]=4 2479 B7R1.29 CNC1(CC1)C#N 2230a_100000756336_200000210301 [0,1,0,1,0,0|1,0,1]=4 2480 B7R1.29 CNC1(CC1)C#N 34a_100000756336_200000210301 [0,1,0,1,0,0|1,0,1]=4 2481 B7R1.29 CNC1(CC1)C#N 34a_100102657272_100009889376 [0,1,0,1,0,0|1,0,1]=4 2482 B7R1.29 CNC1(CC1)CF 2230a_100000054953_200000210301 [0,1,0,1,0,0|1,0,1]=4 2483 B7R1.29 CNC1(CC1)CF 34a_100000054953_200000210301 [0,1,0,1,0,0|1,0,1]=4 2484 B7R1.29 COC1(CC1)C#N 34a_100138415774_100009889376 [0,1,0,1,0,0|1,0,1]=4 2485 B7R1.29 CSC1(CC1)C#N 62a_100009889376_200000210301 [0,1,0,1,0,0|1,0,1]=4 2486 B7R1.29 CSC1(CC1)C#N 62a_200000210301_100009889376 [0,1,0,1,0,0|1,0,1]=4 2487 B7R1.29 [13CH3]NC1(CC1)C#N 2230a_100000756336_200025704644 [0,1,0,1,0,0|1,0,1]=4 2488 B7R1.29 [13CH3]NC1(CC1)C#N 34a_100000756336_200025704644 [0,1,0,1,0,0|1,0,1]=4 2489 B7R1.29 [13CH3]NC1(CC1)CF 2230a_100000054953_200025704644 [0,1,0,1,0,0|1,0,1]=4 2490 B7R1.29 [13CH3]NC1(CC1)CF 34a_100000054953_200025704644 [0,1,0,1,0,0|1,0,1]=4 2491 B7R1.29 [13CH3]SC1(CC1)C#N 62a_100009889376_200025704644 [0,1,0,1,0,0|1,0,1]=4 2492 B7R1.29 [13CH3]SC1(CC1)C#N 62a_200025704644_100009889376 [0,1,0,1,0,0|1,0,1]=4