0 B6R0.1 C#CCC(C)OC 34a_100000685586_200000210301 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.1 C#CCC(C)OC 7a_100000685586_200000210301 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.1 C#CCC(C)O[13CH3] 34a_100000685586_200025704644 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.1 C#CCC(C)O[13CH3] 7a_100000685586_200025704644 [0,0,0,0,0,0|3,0,1]=4 4 B6R0.1 C#CCN(C)CC 2230a_100000225621_100000038162 [0,0,0,0,0,0|3,0,1]=4 5 B6R0.1 C#CCN(C)CC 2230a_100000225692_100000210202 [0,0,0,0,0,0|3,0,1]=4 6 B6R0.1 C#CCN(C)CC 2230a_100000744766_200000210301 [0,0,0,0,0,0|3,0,1]=4 7 B6R0.1 C#CCN(C)CC 269982a_100000744766_200000210301 [0,0,0,0,0,0|3,0,1]=4 8 B6R0.1 C#CCN(C)CC 34a_100000225692_100000210202 [0,0,0,0,0,0|3,0,1]=4 9 B6R0.1 C#CCN([13CH3])CC 2230a_100000744766_200025704644 [0,0,0,0,0,0|3,0,1]=4 10 B6R0.1 C#CCN([13CH3])CC 269982a_100000744766_200025704644 [0,0,0,0,0,0|3,0,1]=4 11 B6R0.1 C/C=C/C(C)OC 34a_200102604097_200000210301 [0,0,0,0,0,0|3,0,1]=4 12 B6R0.1 C/C=C/C(C)O[13CH3] 34a_200102604097_200025704644 [0,0,0,0,0,0|3,0,1]=4 13 B6R0.1 C=CCN(C)CC 2230a_100000225617_100000210202 [0,0,0,0,0,0|3,0,1]=4 14 B6R0.1 C=CCN(C)CC 2230a_100000225621_100000210623 [0,0,0,0,0,0|3,0,1]=4 15 B6R0.1 C=CCN(C)CC 269982a_100000225617_100000204670 [0,0,0,0,0,0|3,0,1]=4 16 B6R0.1 C=CCN(C)CC 269982a_100000225621_100000210623 [0,0,0,0,0,0|3,0,1]=4 17 B6R0.1 C=CC[C@@H](C)OC 34a_100000731007_200000210301 [0,0,0,0,0,0|3,0,1]=4 18 B6R0.1 C=CC[C@@H](C)OC 7a_100000731007_200000210301 [0,0,0,0,0,0|3,0,1]=4 19 B6R0.1 C=CC[C@@H](C)O[13CH3] 34a_100000731007_200025704644 [0,0,0,0,0,0|3,0,1]=4 20 B6R0.1 C=CC[C@@H](C)O[13CH3] 7a_100000731007_200025704644 [0,0,0,0,0,0|3,0,1]=4 21 B6R0.1 CC#CC(C)OC 34a_100011216543_200000210301 [0,0,0,0,0,0|3,0,1]=4 22 B6R0.1 CC#CC(C)O[13CH3] 34a_100011216543_200025704644 [0,0,0,0,0,0|3,0,1]=4 23 B6R0.1 CC(CC#N)S[13CH3] 62a_100009813641_200025704644 [0,0,0,0,0,0|3,0,1]=4 24 B6R0.1 CC(CC#N)S[13CH3] 62a_200025704644_100009813641 [0,0,0,0,0,0|3,0,1]=4 25 B6R0.1 CC(CCBr)O[13CH3] 34a_100012276601_200025704644 [0,0,0,0,0,0|3,0,1]=4 26 B6R0.1 CC(CCO)S[13CH3] 62a_100009893172_200025704644 [0,0,0,0,0,0|2,1,1]=4 27 B6R0.1 CC(CCO)S[13CH3] 62a_200025704644_100009893172 [0,0,0,0,0,0|2,1,1]=4 28 B6R0.1 CC(CF)OCF 34a_100016041109_100015361967 [0,0,0,0,0,0|3,0,1]=4 29 B6R0.1 CC(CF)OCF 7a_100016041109_100015361967 [0,0,0,0,0,0|3,0,1]=4 30 B6R0.1 CC(CN)CO[13CH3] 34a_100000744482_200025704644 [0,0,0,0,0,0|4,0,0]=4 31 B6R0.1 CC(CN)OCF 34a_100000210904_100015361967 [0,0,0,0,0,0|3,0,1]=4 32 B6R0.1 CC(CO)CN[13CH3] 34a_100000744482_200025704644 [0,0,0,0,0,0|4,0,0]=4 33 B6R0.1 CC(CO)SCF 62a_100012180447_100015361967 [0,0,0,0,0,0|3,0,1]=4 34 B6R0.1 CCC(C)CNC 2230a_100020588543_200000210301 [0,0,0,0,0,0|3,0,0]=3 35 B6R0.1 CCC(C)CNC 2230a_106832991635_100000748023 [0,0,0,0,0,0|3,0,0]=3 36 B6R0.1 CCC(C)CNC 270004a_106832991635_100000243153 [0,0,0,0,0,0|3,0,0]=3 37 B6R0.1 CCC(C)CNC 34a_100102657272_100000748023 [0,0,0,0,0,0|3,0,0]=3 38 B6R0.1 CCC(C)CNC 7a_106832991635_100000748023 [0,0,0,0,0,0|3,0,0]=3 39 B6R0.1 CCC(C)CN[13CH3] 2230a_100020588543_200025704644 [0,0,0,0,0,0|3,0,0]=3 40 B6R0.1 CCC(C)COC 34a_100138415774_100000748023 [0,0,0,0,0,0|3,0,0]=3 41 B6R0.1 CCC(C)CSC 62a_100000748023_200000210301 [0,0,0,0,0,0|3,0,0]=3 42 B6R0.1 CCC(C)CSC 62a_200000210301_100000748023 [0,0,0,0,0,0|3,0,0]=3 43 B6R0.1 CCC(C)CS[13CH3] 62a_100000748023_200025704644 [0,0,0,0,0,0|3,0,0]=3 44 B6R0.1 CCC(C)CS[13CH3] 62a_200025704644_100000748023 [0,0,0,0,0,0|3,0,0]=3 45 B6R0.1 CCC(C)OCF 7a_100000210228_100015361967 [0,0,0,0,0,0|2,0,1]=3 46 B6R0.1 CCC(C)SCF 62a_100000758301_100015361967 [0,0,0,0,0,0|2,0,1]=3 47 B6R0.1 CCC(C)SCF 62a_100015361967_100000758301 [0,0,0,0,0,0|2,0,1]=3 48 B6R0.1 CCC(O)CNC 2230a_100011218483_200000210301 [0,0,0,0,0,0|4,0,0]=4 49 B6R0.1 CCC(O)CNC 2230a_106832991635_100011218378 [0,0,0,0,0,0|4,0,0]=4 50 B6R0.1 CCC(O)CNC 34a_100102657272_100011218378 [0,0,0,0,0,0|4,0,0]=4 51 B6R0.1 CCC(O)CNC 7a_106832991635_100011218378 [0,0,0,0,0,0|4,0,0]=4 52 B6R0.1 CCC(O)CN[13CH3] 2230a_100011218483_200025704644 [0,0,0,0,0,0|4,0,0]=4 53 B6R0.1 CCC(O)COC 34a_100138415774_100011218378 [0,0,0,0,0,0|4,0,0]=4 54 B6R0.1 CCC(O)CSC 62a_100011218378_200000210301 [0,0,0,0,0,0|4,0,0]=4 55 B6R0.1 CCC(O)CSC 62a_200000210301_100011218378 [0,0,0,0,0,0|4,0,0]=4 56 B6R0.1 CCC(O)CS[13CH3] 62a_100011218378_200025704644 [0,0,0,0,0,0|4,0,0]=4 57 B6R0.1 CCC(O)CS[13CH3] 62a_200025704644_100011218378 [0,0,0,0,0,0|4,0,0]=4 58 B6R0.1 CCCC(C)NC 2230a_100000741246_200000210301 [0,0,0,0,0,0|3,0,1]=4 59 B6R0.1 CCCC(C)NC 2230a_106832991635_100000766640 [0,0,0,0,0,0|3,0,1]=4 60 B6R0.1 CCCC(C)NC 270004a_106832991635_100000211909 [0,0,0,0,0,0|3,0,1]=4 61 B6R0.1 CCCC(C)NC 34a_100102657272_100000766640 [0,0,0,0,0,0|3,0,1]=4 62 B6R0.1 CCCC(C)NC 7a_106832991635_100000766640 [0,0,0,0,0,0|3,0,1]=4 63 B6R0.1 CCCC(C)N[13CH3] 2230a_100000741246_200025704644 [0,0,0,0,0,0|3,0,1]=4 64 B6R0.1 CCCC(C)OC 34a_100000764384_200000210301 [0,0,0,0,0,0|3,0,1]=4 65 B6R0.1 CCCC(C)OC 34a_100138415774_100000766640 [0,0,0,0,0,0|3,0,1]=4 66 B6R0.1 CCCC(C)OC 7a_100000764384_200000210301 [0,0,0,0,0,0|3,0,1]=4 67 B6R0.1 CCCC(C)O[13CH3] 34a_100000764384_200025704644 [0,0,0,0,0,0|3,0,1]=4 68 B6R0.1 CCCC(C)O[13CH3] 7a_100000764384_200025704644 [0,0,0,0,0,0|3,0,1]=4 69 B6R0.1 CCCC(C)SC 62a_100000766640_200000210301 [0,0,0,0,0,0|3,0,1]=4 70 B6R0.1 CCCC(C)SC 62a_200000210301_100000766640 [0,0,0,0,0,0|3,0,1]=4 71 B6R0.1 CCCC(C)S[13CH3] 62a_100000766640_200025704644 [0,0,0,0,0,0|3,0,1]=4 72 B6R0.1 CCCC(C)S[13CH3] 62a_200025704644_100000766640 [0,0,0,0,0,0|3,0,1]=4 73 B6R0.1 CCCN(C)CC 2230a_100000225621_100000210303 [0,0,0,0,0,0|3,0,1]=4 74 B6R0.1 CCCN(C)CC 2230a_100000226822_200000210301 [0,0,0,0,0,0|3,0,1]=4 75 B6R0.1 CCCN(C)CC 2230a_100000747261_100000210202 [0,0,0,0,0,0|3,0,1]=4 76 B6R0.1 CCCN(C)CC 269982a_100000225621_100000210303 [0,0,0,0,0,0|3,0,1]=4 77 B6R0.1 CCCN(C)CC 269982a_100000226822_200000210301 [0,0,0,0,0,0|3,0,1]=4 78 B6R0.1 CCCN(C)CC 269982a_100000747261_100000204670 [0,0,0,0,0,0|3,0,1]=4 79 B6R0.1 CCCN([13CH3])CC 2230a_100000226822_200025704644 [0,0,0,0,0,0|3,0,1]=4 80 B6R0.1 CCCN([13CH3])CC 269982a_100000226822_200025704644 [0,0,0,0,0,0|3,0,1]=4 81 B6R0.1 CCN(C)CC#N 2230a_100000225621_100011215382 [0,0,0,0,0,0|3,0,1]=4 82 B6R0.1 CCN(C)CC#N 2230a_100000748184_100000210202 [0,0,0,0,0,0|3,0,1]=4 83 B6R0.1 CCN(C)CC#N 269982a_100000225621_100011214920 [0,0,0,0,0,0|3,0,1]=4 84 B6R0.1 CCN(C)CC=O 2230a_100000225621_200015260668 [0,0,0,0,0,0|2,1,1]=4 85 B6R0.1 CCN(C)CC=O 269982a_100000225621_200015260668 [0,0,0,0,0,0|2,1,1]=4 86 B6R0.1 CCN(C)CCF 2230a_100000225621_100011217306 [0,0,0,0,0,0|3,0,1]=4 87 B6R0.1 CCN(C)CCF 269982a_100000225621_100011217306 [0,0,0,0,0,0|3,0,1]=4 88 B6R0.1 CCN(C)CCO 2230a_100000210263_100000210202 [0,0,0,0,0,0|2,1,1]=4 89 B6R0.1 CCN(C)CCO 2230a_100000210973_200000210301 [0,0,0,0,0,0|2,1,1]=4 90 B6R0.1 CCN(C)CCO 2230a_100000225621_100000211926 [0,0,0,0,0,0|2,1,1]=4 91 B6R0.1 CCN(C)CCO 269982a_100000210263_100000204670 [0,0,0,0,0,0|2,1,1]=4 92 B6R0.1 CCN(C)CCO 269982a_100000210973_200000210301 [0,0,0,0,0,0|2,1,1]=4 93 B6R0.1 CCN(C)CCO 269982a_100000225621_100000211926 [0,0,0,0,0,0|2,1,1]=4 94 B6R0.1 CCN(C)COC 2230a_100000225621_100000766300 [0,0,0,0,0,0|4,0,0]=4 95 B6R0.1 CCN(C)COC 269982a_100000225621_100000766300 [0,0,0,0,0,0|4,0,0]=4 96 B6R0.1 CCN(C)CSC 2230a_100000225621_100011218213 [0,0,0,0,0,0|4,0,0]=4 97 B6R0.1 CCN(C)CSC 269982a_100000225621_100011218213 [0,0,0,0,0,0|4,0,0]=4 98 B6R0.1 CCN([13CH3])CCO 2230a_100000210973_200025704644 [0,0,0,0,0,0|2,1,1]=4 99 B6R0.1 CCN([13CH3])CCO 269982a_100000210973_200025704644 [0,0,0,0,0,0|2,1,1]=4 100 B6R0.1 CCNC(C)CC 2230a_100000209981_100000210202 [0,0,0,0,0,0|1,0,2]=3 101 B6R0.1 CCNC(C)CC 2230a_100015525214_100000758301 [0,0,0,0,0,0|1,0,2]=3 102 B6R0.1 CCNC(C)CO 2230a_100015525214_100012180447 [0,0,0,0,0,0|2,0,2]=4 103 B6R0.1 CCN[C@H](C)CO 2230a_100000737577_100000210202 [0,0,0,0,0,0|2,0,2]=4 104 B6R0.1 CCOC(C)CC 34a_100121572206_100011215416 [0,0,0,0,0,0|2,0,1]=3 105 B6R0.1 CCOC(C)CC 7a_100000210228_100000210202 [0,0,0,0,0,0|2,0,1]=3 106 B6R0.1 CCOC(C)CF 34a_100016041109_100000210202 [0,0,0,0,0,0|3,0,1]=4 107 B6R0.1 CCOC(C)CF 7a_100016041109_100000210202 [0,0,0,0,0,0|3,0,1]=4 108 B6R0.1 CCOC(C)CN 34a_100000210904_100000210202 [0,0,0,0,0,0|3,0,1]=4 109 B6R0.1 CCOC(C)CO 34a_100121572206_100012180447 [0,0,0,0,0,0|3,0,1]=4 110 B6R0.1 CCSC(C)CC 62a_100000210202_100000758301 [0,0,0,0,0,0|2,0,1]=3 111 B6R0.1 CCSC(C)CC 62a_100000758301_100000210202 [0,0,0,0,0,0|2,0,1]=3 112 B6R0.1 CCSC(C)CO 62a_100012180447_100000210202 [0,0,0,0,0,0|3,0,1]=4 113 B6R0.1 CCSC(C)OC 62a_100000210202_100009879195 [0,0,0,0,0,0|3,0,1]=4 114 B6R0.1 CCSC(C)OC 62a_100009879195_100000210202 [0,0,0,0,0,0|3,0,1]=4 115 B6R0.1 CCS[C@H](C)CO 62a_100000210202_100016084084 [0,0,0,0,0,0|3,0,1]=4 116 B6R0.1 CCS[C@H](C)CO 62a_100016084084_100000210202 [0,0,0,0,0,0|3,0,1]=4 117 B6R0.1 CC[C@H](C)CNC 2230a_106832991635_100009816398 [0,0,0,0,0,0|3,0,0]=3 118 B6R0.1 CC[C@H](C)CNC 34a_100102657272_100009816398 [0,0,0,0,0,0|3,0,0]=3 119 B6R0.1 CC[C@H](C)CNC 7a_106832991635_100009816398 [0,0,0,0,0,0|3,0,0]=3 120 B6R0.1 CC[C@H](C)COC 34a_100138415774_100009816398 [0,0,0,0,0,0|3,0,0]=3 121 B6R0.1 CC[C@H](C)COC 7a_100009816381_200000210301 [0,0,0,0,0,0|3,0,0]=3 122 B6R0.1 CC[C@H](C)CO[13CH3] 7a_100009816381_200025704644 [0,0,0,0,0,0|3,0,0]=3 123 B6R0.1 CC[C@H](C)CSC 62a_100009816398_200000210301 [0,0,0,0,0,0|3,0,0]=3 124 B6R0.1 CC[C@H](C)CSC 62a_200000210301_100009816398 [0,0,0,0,0,0|3,0,0]=3 125 B6R0.1 CC[C@H](C)CS[13CH3] 62a_100009816398_200025704644 [0,0,0,0,0,0|3,0,0]=3 126 B6R0.1 CC[C@H](C)CS[13CH3] 62a_200025704644_100009816398 [0,0,0,0,0,0|3,0,0]=3 127 B6R0.1 CNC(C)CC#N 2230a_106832991635_100009813641 [0,0,0,0,0,0|3,0,1]=4 128 B6R0.1 CNC(C)CC#N 7a_106832991635_100009813641 [0,0,0,0,0,0|3,0,1]=4 129 B6R0.1 CNC(C)CCO 2230a_106832991635_100009893172 [0,0,0,0,0,0|2,1,1]=4 130 B6R0.1 CNC(C)CCO 34a_100102657272_100009893172 [0,0,0,0,0,0|2,1,1]=4 131 B6R0.1 CNC(C)CCO 7a_106832991635_100009893172 [0,0,0,0,0,0|2,1,1]=4 132 B6R0.1 CNC(C)COC 2230a_106832991635_100000765312 [0,0,0,0,0,0|4,0,0]=4 133 B6R0.1 CNC(C)COC 270004a_106832991635_100000749346 [0,0,0,0,0,0|4,0,0]=4 134 B6R0.1 CNC(C)COC 34a_100102657272_100000765312 [0,0,0,0,0,0|4,0,0]=4 135 B6R0.1 CNC(C)COC 7a_106832991635_100000765312 [0,0,0,0,0,0|4,0,0]=4 136 B6R0.1 CNC(C)CSC 270004a_106832991635_100011216314 [0,0,0,0,0,0|4,0,0]=4 137 B6R0.1 CNCC(C)CO 34a_100000744482_200000210301 [0,0,0,0,0,0|4,0,0]=4 138 B6R0.1 CNC[C@@H](C)CO 2230a_106832991635_100000059175 [0,0,0,0,0,0|4,0,0]=4 139 B6R0.1 CNC[C@@H](C)CO 34a_100102657272_100000059175 [0,0,0,0,0,0|4,0,0]=4 140 B6R0.1 CNC[C@@H](C)CO 7a_106832991635_100000059175 [0,0,0,0,0,0|4,0,0]=4 141 B6R0.1 CNC[C@@H](C)OC 2230a_100020591295_200000210301 [0,0,0,0,0,0|4,0,0]=4 142 B6R0.1 CN[C@@H](C)CC#N 2230a_100016994482_200000210301 [0,0,0,0,0,0|3,0,1]=4 143 B6R0.1 CN[C@H](C)CCO 2230a_100000706166_200000210301 [0,0,0,0,0,0|2,1,1]=4 144 B6R0.1 CN[C@H](C)CCO 34a_100000706166_200000210301 [0,0,0,0,0,0|2,1,1]=4 145 B6R0.1 CN[C@H](C)COC 2230a_100000764878_200000210301 [0,0,0,0,0,0|4,0,0]=4 146 B6R0.1 COC(C)CCBr 34a_100012276601_200000210301 [0,0,0,0,0,0|3,0,1]=4 147 B6R0.1 COC(C)CCO 34a_100138415774_100009893172 [0,0,0,0,0,0|2,1,1]=4 148 B6R0.1 COC(C)CO[13CH3] 34a_100000690652_200025704644 [0,0,0,0,0,0|4,0,0]=4 149 B6R0.1 COC(C)SCF 62a_100009879195_100015361967 [0,0,0,0,0,0|3,0,1]=4 150 B6R0.1 COC(C)SCF 62a_100015361967_100009879195 [0,0,0,0,0,0|3,0,1]=4 151 B6R0.1 COCC(C)CN 34a_100000744482_200000210301 [0,0,0,0,0,0|4,0,0]=4 152 B6R0.1 COCC(C)OC 34a_100000690652_200000210301 [0,0,0,0,0,0|4,0,0]=4 153 B6R0.1 COCC(C)OC 34a_100138415774_100000765312 [0,0,0,0,0,0|4,0,0]=4 154 B6R0.1 COCC(C)SC 62a_100000765312_200000210301 [0,0,0,0,0,0|4,0,0]=4 155 B6R0.1 COCC(C)SC 62a_200000210301_100000765312 [0,0,0,0,0,0|4,0,0]=4 156 B6R0.1 COCC(C)S[13CH3] 62a_100000765312_200025704644 [0,0,0,0,0,0|4,0,0]=4 157 B6R0.1 COCC(C)S[13CH3] 62a_200025704644_100000765312 [0,0,0,0,0,0|4,0,0]=4 158 B6R0.1 COC[C@@H](C)CO 34a_100138415774_100000059175 [0,0,0,0,0,0|4,0,0]=4 159 B6R0.1 COC[C@@H](C)N[13CH3] 2230a_100000764878_200025704644 [0,0,0,0,0,0|4,0,0]=4 160 B6R0.1 COC[C@@H](C)OC 34a_100011934205_200000210301 [0,0,0,0,0,0|4,0,0]=4 161 B6R0.1 COC[C@@H](C)O[13CH3] 34a_100011934205_200025704644 [0,0,0,0,0,0|4,0,0]=4 162 B6R0.1 CO[C@H](C)CN[13CH3] 2230a_100020591295_200025704644 [0,0,0,0,0,0|4,0,0]=4 163 B6R0.1 CSC(C)CC#N 62a_100009813641_200000210301 [0,0,0,0,0,0|3,0,1]=4 164 B6R0.1 CSC(C)CC#N 62a_200000210301_100009813641 [0,0,0,0,0,0|3,0,1]=4 165 B6R0.1 CSC(C)CCO 62a_100009893172_200000210301 [0,0,0,0,0,0|2,1,1]=4 166 B6R0.1 CSC(C)CCO 62a_200000210301_100009893172 [0,0,0,0,0,0|2,1,1]=4 167 B6R0.1 CSC[C@@H](C)CO 62a_100000059175_200000210301 [0,0,0,0,0,0|4,0,0]=4 168 B6R0.1 CSC[C@@H](C)CO 62a_200000210301_100000059175 [0,0,0,0,0,0|4,0,0]=4 169 B6R0.1 C[C@@H](CC#N)N[13CH3] 2230a_100016994482_200025704644 [0,0,0,0,0,0|3,0,1]=4 170 B6R0.1 C[C@@H](CO)CS[13CH3] 62a_100000059175_200025704644 [0,0,0,0,0,0|4,0,0]=4 171 B6R0.1 C[C@@H](CO)CS[13CH3] 62a_200025704644_100000059175 [0,0,0,0,0,0|4,0,0]=4 172 B6R0.1 C[C@H](CCO)N[13CH3] 2230a_100000706166_200025704644 [0,0,0,0,0,0|2,1,1]=4 173 B6R0.1 C[C@H](CCO)N[13CH3] 34a_100000706166_200025704644 [0,0,0,0,0,0|2,1,1]=4 174 B6R0.1 C[C@H](CO)SCF 62a_100015361967_100016084084 [0,0,0,0,0,0|3,0,1]=4 175 B6R0.1 C[C@H](CO)SCF 62a_100016084084_100015361967 [0,0,0,0,0,0|3,0,1]=4 176 B5R0.1 CC(C)CN[13CH3] 2230a_100000210953_200025704644 [1,0,0,0,0,0|3,0,0]=4 177 B5R0.1 CC(C)CN[13CH3] 34a_100000210953_200025704644 [1,0,0,0,0,0|3,0,0]=4 178 B5R0.1 CC(C)CO[13CH3] 34a_100000210257_200025704644 [1,0,0,0,0,0|3,0,0]=4 179 B5R0.1 CC(C)CS[13CH3] 62a_100000210624_200025704644 [1,0,0,0,0,0|3,0,0]=4 180 B5R0.1 CC(C)CS[13CH3] 62a_200025704644_100000210760 [1,0,0,0,0,0|3,0,0]=4 181 B5R0.1 CC(C)NCF 34a_100138425928_100015361967 [1,0,0,0,0,0|1,0,2]=4 182 B5R0.1 CC(C)OCF 34a_100000212225_100015361967 [1,0,0,0,0,0|2,0,1]=4 183 B5R0.1 CC(C)SCF 62a_100000210206_100015361967 [1,0,0,0,0,0|2,0,1]=4 184 B5R0.1 CC(C)SCF 62a_100015361967_100000210206 [1,0,0,0,0,0|2,0,1]=4 185 B5R0.1 CCNC(C)C 2230a_100015525214_100000210206 [1,0,0,0,0,0|1,0,2]=4 186 B5R0.1 CCNC(C)C 2230a_100138425928_100000210202 [1,0,0,0,0,0|1,0,2]=4 187 B5R0.1 CCNC(C)C 34a_100138425928_100000210202 [1,0,0,0,0,0|1,0,2]=4 188 B5R0.1 CCOC(C)C 34a_100000212225_100000210202 [1,0,0,0,0,0|2,0,1]=4 189 B5R0.1 CCOC(C)C 34a_100121572206_100000210206 [1,0,0,0,0,0|2,0,1]=4 190 B5R0.1 CCSC(C)C 62a_100000210202_100000210206 [1,0,0,0,0,0|2,0,1]=4 191 B5R0.1 CCSC(C)C 62a_100000210206_100000210202 [1,0,0,0,0,0|2,0,1]=4 192 B5R0.1 CNCC(C)C 2230a_100000210953_200000210301 [1,0,0,0,0,0|3,0,0]=4 193 B5R0.1 CNCC(C)C 2230a_106832991635_100000210760 [1,0,0,0,0,0|3,0,0]=4 194 B5R0.1 CNCC(C)C 270004a_106832991635_100000210432 [1,0,0,0,0,0|3,0,0]=4 195 B5R0.1 CNCC(C)C 34a_100000210953_200000210301 [1,0,0,0,0,0|3,0,0]=4 196 B5R0.1 CNCC(C)C 34a_100102657272_100000210624 [1,0,0,0,0,0|3,0,0]=4 197 B5R0.1 CNCC(C)C 7a_106832991635_100000210760 [1,0,0,0,0,0|3,0,0]=4 198 B5R0.1 COCC(C)C 34a_100000210257_200000210301 [1,0,0,0,0,0|3,0,0]=4 199 B5R0.1 COCC(C)C 34a_100138415774_100000210624 [1,0,0,0,0,0|3,0,0]=4 200 B5R0.1 CSCC(C)C 62a_100000210624_200000210301 [1,0,0,0,0,0|3,0,0]=4 201 B5R0.1 CSCC(C)C 62a_200000210301_100000210760 [1,0,0,0,0,0|3,0,0]=4 202 B5R0.2 CC=NNCC 4a_100000756455_200000210099 [1,0,0,0,0,0|2,0,1]=4 203 B5R0.2 CCCCNC 2230a_100000102301_200000210301 [1,0,0,0,0,0|3,0,0]=4 204 B5R0.2 CCCCNC 2230a_106832991635_100000210211 [1,0,0,0,0,0|3,0,0]=4 205 B5R0.2 CCCCNC 34a_100102657272_100000210210 [1,0,0,0,0,0|3,0,0]=4 206 B5R0.2 CCCCNC 7a_106832991635_100000210211 [1,0,0,0,0,0|3,0,0]=4 207 B5R0.2 CCCCNC 7a_106832991798_200000210301 [1,0,0,0,0,0|3,0,0]=4 208 B5R0.2 CCCCN[13CH3] 2230a_100000102301_200025704644 [1,0,0,0,0,0|3,0,0]=4 209 B5R0.2 CCCCN[13CH3] 7a_106832991798_200025704644 [1,0,0,0,0,0|3,0,0]=4 210 B5R0.2 CCCCOC 34a_100000210227_200000210301 [1,0,0,0,0,0|3,0,0]=4 211 B5R0.2 CCCCOC 34a_100138415774_100000210210 [1,0,0,0,0,0|3,0,0]=4 212 B5R0.2 CCCCOC 7a_100000210227_200000210301 [1,0,0,0,0,0|3,0,0]=4 213 B5R0.2 CCCCO[13CH3] 34a_100000210227_200025704644 [1,0,0,0,0,0|3,0,0]=4 214 B5R0.2 CCCCO[13CH3] 7a_100000210227_200025704644 [1,0,0,0,0,0|3,0,0]=4 215 B5R0.2 CCCCSC 62a_100000210211_200000210301 [1,0,0,0,0,0|3,0,0]=4 216 B5R0.2 CCCCSC 62a_200000210301_100000210210 [1,0,0,0,0,0|3,0,0]=4 217 B5R0.2 CCCCS[13CH3] 62a_100000210211_200025704644 [1,0,0,0,0,0|3,0,0]=4 218 B5R0.2 CCCCS[13CH3] 62a_200025704644_100000210210 [1,0,0,0,0,0|3,0,0]=4 219 B5R0.2 CCCNCC 2230a_100015525214_100000210303 [1,0,0,0,0,0|1,0,2]=4 220 B5R0.2 CCCOCC 34a_100000210258_100000210202 [1,0,0,0,0,0|2,0,1]=4 221 B5R0.2 CCCOCC 34a_100121572206_100000210303 [1,0,0,0,0,0|2,0,1]=4 222 B5R0.2 CCCOCF 34a_100000210258_100015361967 [1,0,0,0,0,0|2,0,1]=4 223 B5R0.2 CCCSCC 62a_100000210202_100000210303 [1,0,0,0,0,0|2,0,1]=4 224 B5R0.2 CCCSCC 62a_100000210303_100000210202 [1,0,0,0,0,0|2,0,1]=4 225 B5R0.2 CCCSCF 62a_100000210303_100015361967 [1,0,0,0,0,0|2,0,1]=4 226 B5R0.2 CCCSCF 62a_100015361967_100000210303 [1,0,0,0,0,0|2,0,1]=4 227 B5R0.3 C#CC(C)NC 2230a_100000707721_200000210301 [1,0,0,0,0,0|2,0,1]=4 228 B5R0.3 C#CC(C)NC 34a_100000707721_200000210301 [1,0,0,0,0,0|2,0,1]=4 229 B5R0.3 C#CC(C)NC 34a_100102657272_200000035995 [1,0,0,0,0,0|2,0,1]=4 230 B5R0.3 C#CC(C)N[13CH3] 2230a_100000707721_200025704644 [1,0,0,0,0,0|2,0,1]=4 231 B5R0.3 C#CC(C)N[13CH3] 34a_100000707721_200025704644 [1,0,0,0,0,0|2,0,1]=4 232 B5R0.3 C#CC(C)OC 34a_100138415774_200000035995 [1,0,0,0,0,0|2,0,1]=4 233 B5R0.3 C#CC(C)SC 62a_200000035995_200000210301 [1,0,0,0,0,0|2,0,1]=4 234 B5R0.3 C#CC(C)S[13CH3] 62a_200000035995_200025704644 [1,0,0,0,0,0|2,0,1]=4 235 B5R0.3 C#C[C@@H](C)OC 34a_100009815206_200000210301 [1,0,0,0,0,0|2,0,1]=4 236 B5R0.3 C#C[C@@H](C)OC 7a_100009815206_200000210301 [1,0,0,0,0,0|2,0,1]=4 237 B5R0.3 C#C[C@@H](C)O[13CH3] 34a_100009815206_200025704644 [1,0,0,0,0,0|2,0,1]=4 238 B5R0.3 C#C[C@@H](C)O[13CH3] 7a_100009815206_200025704644 [1,0,0,0,0,0|2,0,1]=4 239 B5R0.3 C=CC(C)OC 34a_100000695699_200000210301 [1,0,0,0,0,0|2,0,1]=4 240 B5R0.3 C=CC(C)O[13CH3] 34a_100000695699_200025704644 [1,0,0,0,0,0|2,0,1]=4 241 B5R0.3 C=CC(C)SC 62a_100011215867_200000210301 [1,0,0,0,0,0|2,0,1]=4 242 B5R0.3 C=CC(C)S[13CH3] 62a_100011215867_200025704644 [1,0,0,0,0,0|2,0,1]=4 243 B5R0.3 CC(C#N)N[13CH3] 2230a_100000737613_200025704644 [1,0,0,0,0,0|2,0,1]=4 244 B5R0.3 CC(C#N)O[13CH3] 34a_100011218135_200025704644 [1,0,0,0,0,0|2,0,1]=4 245 B5R0.3 CC(C#N)S[13CH3] 62a_100000703298_200025704644 [1,0,0,0,0,0|2,0,1]=4 246 B5R0.3 CC(C#N)S[13CH3] 62a_200025704644_100000703298 [1,0,0,0,0,0|2,0,1]=4 247 B5R0.3 CC(CF)O[13CH3] 34a_100016041109_200025704644 [1,0,0,0,0,0|2,0,1]=4 248 B5R0.3 CC(CF)O[13CH3] 7a_100016041109_200025704644 [1,0,0,0,0,0|2,0,1]=4 249 B5R0.3 CC(CN)O[13CH3] 34a_100000210904_200025704644 [1,0,0,0,0,0|2,0,1]=4 250 B5R0.3 CC(CO)S[13CH3] 62a_100012180447_200025704644 [1,0,0,0,0,0|1,1,1]=4 251 B5R0.3 CCC(C)NC 2230a_100000209981_200000210301 [1,0,0,0,0,0|0,0,2]=3 252 B5R0.3 CCC(C)NC 2230a_106832991635_100000758301 [1,0,0,0,0,0|0,0,2]=3 253 B5R0.3 CCC(C)NC 34a_100102657272_100011215416 [1,0,0,0,0,0|0,0,2]=3 254 B5R0.3 CCC(C)NC 7a_106832991635_100000758301 [1,0,0,0,0,0|0,0,2]=3 255 B5R0.3 CCC(C)N[13CH3] 2230a_100000209981_200025704644 [1,0,0,0,0,0|0,0,2]=3 256 B5R0.3 CCC(C)OC 34a_100138415774_100011215416 [1,0,0,0,0,0|1,0,1]=3 257 B5R0.3 CCC(C)OC 7a_100000210228_200000210301 [1,0,0,0,0,0|1,0,1]=3 258 B5R0.3 CCC(C)O[13CH3] 7a_100000210228_200025704644 [1,0,0,0,0,0|1,0,1]=3 259 B5R0.3 CCC(C)SC 62a_100000758301_200000210301 [1,0,0,0,0,0|1,0,1]=3 260 B5R0.3 CCC(C)SC 62a_200000210301_100000758301 [1,0,0,0,0,0|1,0,1]=3 261 B5R0.3 CCC(C)S[13CH3] 62a_100000758301_200025704644 [1,0,0,0,0,0|1,0,1]=3 262 B5R0.3 CCC(C)S[13CH3] 62a_200025704644_100000758301 [1,0,0,0,0,0|1,0,1]=3 263 B5R0.3 CCN(C)CC 2230a_100000225621_100000210202 [1,0,0,0,0,0|2,0,1]=4 264 B5R0.3 CCN(C)CC 2230a_100000724800_200000210301 [1,0,0,0,0,0|2,0,1]=4 265 B5R0.3 CCN(C)CC 269956a_100000042499_200000210301 [1,0,0,0,0,0|2,0,1]=4 266 B5R0.3 CCN(C)CC 269982a_100000225621_100000204670 [1,0,0,0,0,0|2,0,1]=4 267 B5R0.3 CCN(C)CC 269982a_100000724800_200000210301 [1,0,0,0,0,0|2,0,1]=4 268 B5R0.3 CCN(C)CF 269982a_100000225621_100015361967 [1,0,0,0,0,0|2,0,1]=4 269 B5R0.3 CCN([13CH3])CC 2230a_100000724800_200025704644 [1,0,0,0,0,0|2,0,1]=4 270 B5R0.3 CCN([13CH3])CC 269956a_100000042499_200025704644 [1,0,0,0,0,0|2,0,1]=4 271 B5R0.3 CCN([13CH3])CC 269982a_100000724800_200025704644 [1,0,0,0,0,0|2,0,1]=4 272 B5R0.3 CNC(C)C#N 2230a_100000737613_200000210301 [1,0,0,0,0,0|2,0,1]=4 273 B5R0.3 CNC(C)C#N 2230a_106832991635_100000184139 [1,0,0,0,0,0|2,0,1]=4 274 B5R0.3 CNC(C)C#N 7a_106832991635_100000703298 [1,0,0,0,0,0|2,0,1]=4 275 B5R0.3 CNC(C)CO 2230a_106832991635_100012180447 [1,0,0,0,0,0|1,0,2]=4 276 B5R0.3 CNC(C)CO 34a_100102657272_100012180447 [1,0,0,0,0,0|1,0,2]=4 277 B5R0.3 CNC(C)CO 7a_106832991635_100012180447 [1,0,0,0,0,0|1,0,2]=4 278 B5R0.3 CN[C@H](C)CO 2230a_100000737577_200000210301 [1,0,0,0,0,0|1,0,2]=4 279 B5R0.3 COC(C)C#N 34a_100011218135_200000210301 [1,0,0,0,0,0|2,0,1]=4 280 B5R0.3 COC(C)CF 34a_100016041109_200000210301 [1,0,0,0,0,0|2,0,1]=4 281 B5R0.3 COC(C)CF 7a_100016041109_200000210301 [1,0,0,0,0,0|2,0,1]=4 282 B5R0.3 COC(C)CN 34a_100000210904_200000210301 [1,0,0,0,0,0|2,0,1]=4 283 B5R0.3 COC(C)CO 34a_100138415774_100012180447 [1,0,0,0,0,0|1,1,1]=4 284 B5R0.3 COC(C)SC 62a_100009879195_200000210301 [1,0,0,0,0,0|2,0,1]=4 285 B5R0.3 COC(C)SC 62a_200000210301_100009879195 [1,0,0,0,0,0|2,0,1]=4 286 B5R0.3 COC(C)S[13CH3] 62a_100009879195_200025704644 [1,0,0,0,0,0|2,0,1]=4 287 B5R0.3 COC(C)S[13CH3] 62a_200025704644_100009879195 [1,0,0,0,0,0|2,0,1]=4 288 B5R0.3 CSC(C)C#N 62a_100000703298_200000210301 [1,0,0,0,0,0|2,0,1]=4 289 B5R0.3 CSC(C)C#N 62a_200000210301_100000703298 [1,0,0,0,0,0|2,0,1]=4 290 B5R0.3 CSC(C)CO 62a_100012180447_200000210301 [1,0,0,0,0,0|1,1,1]=4 291 B5R0.3 CS[C@H](C)CO 62a_100016084084_200000210301 [1,0,0,0,0,0|1,1,1]=4 292 B5R0.3 CS[C@H](C)CO 62a_200000210301_100016084084 [1,0,0,0,0,0|1,1,1]=4 293 B5R0.3 C[C@H](CO)N[13CH3] 2230a_100000737577_200025704644 [1,0,0,0,0,0|1,0,2]=4 294 B5R0.3 C[C@H](CO)S[13CH3] 62a_100016084084_200025704644 [1,0,0,0,0,0|1,1,1]=4 295 B5R0.3 C[C@H](CO)S[13CH3] 62a_200025704644_100016084084 [1,0,0,0,0,0|1,1,1]=4 296 B7R0.2 CCC(C)CC(=O)C 1458a_100000070787_100000748023 [0,1,0,0,0,0|1,1,1]=4 297 B7R0.2 CCC(C)CC(=O)C 1458a_100000708755_200000210301 [0,1,0,0,0,0|1,1,1]=4 298 B7R0.2 CCC(C)CC(=O)[13CH3] 1458a_100000708755_200025704644 [0,1,0,0,0,0|1,1,1]=4 299 B7R0.2 CCC(C)CN(C)C 2230a_100000753921_200000210301 [0,1,0,0,0,0|3,0,0]=4 300 B7R0.2 CCC(C)CN(C)C 2230a_100102631434_100000748023 [0,1,0,0,0,0|3,0,0]=4 301 B7R0.2 CCC(C)CN(C)C 269982a_100000753921_200000210301 [0,1,0,0,0,0|3,0,0]=4 302 B7R0.2 CCC(C)CN(C)C 269982a_100102631434_100000748023 [0,1,0,0,0,0|3,0,0]=4 303 B7R0.2 CCC(C)CN(C)C 270004a_100102631434_100000243153 [0,1,0,0,0,0|3,0,0]=4 304 B7R0.2 CCC(C)CN(C)[13CH3] 2230a_100000753921_200025704644 [0,1,0,0,0,0|3,0,0]=4 305 B7R0.2 CCC(C)CN(C)[13CH3] 269982a_100000753921_200025704644 [0,1,0,0,0,0|3,0,0]=4 306 B7R0.2 CCC(C)NC(=O)C 11a_100000209981_100015343762 [0,1,0,0,0,0|0,1,2]=4 307 B7R0.2 CCC(C)NC(=O)C 1626a_100000209981_100015343762 [0,1,0,0,0,0|0,1,2]=4 308 B7R0.2 CCC(C)NC(=O)C 240690a_100000209981_100015343762 [0,1,0,0,0,0|0,1,2]=4 309 B7R0.2 CCC(C)NC(=O)C 527a_100000209981_100103153847 [0,1,0,0,0,0|0,1,2]=4 310 B7R0.2 CCC(C)NC(C)C 2230a_100000209981_100000210206 [0,1,0,0,0,0|1,0,2]=4 311 B7R0.2 CCC(C)NC(C)C 2230a_100138425928_100000758301 [0,1,0,0,0,0|1,0,2]=4 312 B7R0.2 CCC(C)NC(C)C 34a_100138425928_100011215416 [0,1,0,0,0,0|1,0,2]=4 313 B7R0.2 CCC(C)OC(C)C 34a_100000212225_100011215416 [0,1,0,0,0,0|2,0,1]=4 314 B7R0.2 CCC(C)OC(C)C 7a_100000210228_100000210206 [0,1,0,0,0,0|2,0,1]=4 315 B7R0.2 CCC(C)SC(C)C 62a_100000210206_100000758301 [0,1,0,0,0,0|2,0,1]=4 316 B7R0.2 CCC(C)SC(C)C 62a_100000758301_100000210206 [0,1,0,0,0,0|2,0,1]=4 317 B7R0.2 CC[C@H](C)CC(=O)C 1458a_100000070787_100009816398 [0,1,0,0,0,0|1,1,1]=4 318 B7R0.2 CC[C@H](C)CN(C)C 2230a_100102631434_100009816398 [0,1,0,0,0,0|3,0,0]=4 319 B7R0.2 CC[C@H](C)CN(C)C 269982a_100102631434_100009816398 [0,1,0,0,0,0|3,0,0]=4 320 B7R0.3 C#CCNC(C)CC 2230a_100000209981_100000038162 [0,1,0,0,0,0|1,0,2]=4 321 B7R0.3 C#CCNC(C)CC 34a_100000212058_100011215416 [0,1,0,0,0,0|1,0,2]=4 322 B7R0.3 C#CCOC(C)CC 34a_100000210247_100011215416 [0,1,0,0,0,0|2,0,1]=4 323 B7R0.3 C#CCOC(C)CC 7a_100000210228_100000038162 [0,1,0,0,0,0|2,0,1]=4 324 B7R0.3 C#CCSC(C)CC 62a_100000038162_100000758301 [0,1,0,0,0,0|2,0,1]=4 325 B7R0.3 C=CCNC(C)CC 2230a_100000209981_100000210623 [0,1,0,0,0,0|1,0,2]=4 326 B7R0.3 C=CCNC(C)CC 2230a_100020586998_100000758301 [0,1,0,0,0,0|1,0,2]=4 327 B7R0.3 C=CCOC(C)CC 34a_200000210373_100011215416 [0,1,0,0,0,0|2,0,1]=4 328 B7R0.3 C=CCOC(C)CC 7a_100000210228_100015514636 [0,1,0,0,0,0|2,0,1]=4 329 B7R0.3 C=CCSC(C)CC 62a_100000210623_100000758301 [0,1,0,0,0,0|2,0,1]=4 330 B7R0.3 C=CCSC(C)CC 62a_100000758301_100000210623 [0,1,0,0,0,0|2,0,1]=4 331 B7R0.3 CC=NNC(C)CC 4a_100000718999_200000210099 [0,1,0,0,0,0|1,0,1]=3 332 B7R0.3 CCC(C)CCNC 2230a_100020591266_200000210301 [0,1,0,0,0,0|2,0,1]=4 333 B7R0.3 CCC(C)CCN[13CH3] 2230a_100020591266_200025704644 [0,1,0,0,0,0|2,0,1]=4 334 B7R0.3 CCC(C)CCOC 7a_100011215188_200000210301 [0,1,0,0,0,0|1,1,1]=4 335 B7R0.3 CCC(C)CCO[13CH3] 7a_100011215188_200025704644 [0,1,0,0,0,0|1,1,1]=4 336 B7R0.3 CCC(C)CSCF 62a_100000748023_100015361967 [0,1,0,0,0,0|2,0,1]=4 337 B7R0.3 CCC(C)CSCF 62a_100015361967_100000748023 [0,1,0,0,0,0|2,0,1]=4 338 B7R0.3 CCC(C)NCC#N 2230a_100000209981_100011215382 [0,1,0,0,0,0|1,0,2]=4 339 B7R0.3 CCC(C)NCC=O 2230a_100000209981_200015260668 [0,1,0,0,0,0|0,1,2]=4 340 B7R0.3 CCC(C)NCCF 2230a_100000209981_100011217306 [0,1,0,0,0,0|1,0,2]=4 341 B7R0.3 CCC(C)NCCF 34a_100000724931_100011215416 [0,1,0,0,0,0|1,0,2]=4 342 B7R0.3 CCC(C)NCCO 2230a_100000209981_100000211926 [0,1,0,0,0,0|0,1,2]=4 343 B7R0.3 CCC(C)NCCO 2230a_100016997473_100000758301 [0,1,0,0,0,0|0,1,2]=4 344 B7R0.3 CCC(C)NCCO 34a_100016990907_100011215416 [0,1,0,0,0,0|0,1,2]=4 345 B7R0.3 CCC(C)NCOC 2230a_100000209981_100000766300 [0,1,0,0,0,0|0,1,2]=4 346 B7R0.3 CCC(C)NCSC 2230a_100000209981_100011218213 [0,1,0,0,0,0|0,0,3]=4 347 B7R0.3 CCC(C)OCC#N 7a_100000210228_100011215382 [0,1,0,0,0,0|2,0,1]=4 348 B7R0.3 CCC(C)OCC=O 7a_100000210228_200015260668 [0,1,0,0,0,0|1,1,1]=4 349 B7R0.3 CCC(C)OCCBr 34a_100000211926_100011215416 [0,1,0,0,0,0|2,0,1]=4 350 B7R0.3 CCC(C)OCCF 7a_100000210228_100011217306 [0,1,0,0,0,0|2,0,1]=4 351 B7R0.3 CCC(C)OCCN 34a_100000210304_100011215416 [0,1,0,0,0,0|2,0,1]=4 352 B7R0.3 CCC(C)OCCO 7a_100000210228_100000211926 [0,1,0,0,0,0|1,1,1]=4 353 B7R0.3 CCC(C)SCC#N 62a_100000758301_100011215382 [0,1,0,0,0,0|2,0,1]=4 354 B7R0.3 CCC(C)SCC#N 62a_100011215382_100000758301 [0,1,0,0,0,0|2,0,1]=4 355 B7R0.3 CCC(C)SCC=O 62a_100000758301_200015260668 [0,1,0,0,0,0|1,1,1]=4 356 B7R0.3 CCC(C)SCC=O 62a_200015260668_100000758301 [0,1,0,0,0,0|1,1,1]=4 357 B7R0.3 CCC(C)SCCF 62a_100000758301_100011217306 [0,1,0,0,0,0|2,0,1]=4 358 B7R0.3 CCC(C)SCCF 62a_100011217306_100000758301 [0,1,0,0,0,0|2,0,1]=4 359 B7R0.3 CCC(C)SCCO 62a_100000211926_100000758301 [0,1,0,0,0,0|1,1,1]=4 360 B7R0.3 CCC(C)SCCO 62a_100000758301_100000211926 [0,1,0,0,0,0|1,1,1]=4 361 B7R0.3 CCC(C)SCOC 62a_100000758301_100000766300 [0,1,0,0,0,0|1,1,1]=4 362 B7R0.3 CCC(C)SCOC 62a_100000766300_100000758301 [0,1,0,0,0,0|1,1,1]=4 363 B7R0.3 CCC(C)SCSC 62a_100000758301_100011218213 [0,1,0,0,0,0|1,0,2]=4 364 B7R0.3 CCC(C)SCSC 62a_100011218213_100000758301 [0,1,0,0,0,0|1,0,2]=4 365 B7R0.3 CCCNC(C)CC 2230a_100000209981_100000210303 [0,1,0,0,0,0|1,0,2]=4 366 B7R0.3 CCCOC(C)CC 34a_100000210258_100011215416 [0,1,0,0,0,0|2,0,1]=4 367 B7R0.3 CCCOC(C)CC 7a_100000210228_100000210303 [0,1,0,0,0,0|2,0,1]=4 368 B7R0.3 CCCSC(C)CC 62a_100000210303_100000758301 [0,1,0,0,0,0|2,0,1]=4 369 B7R0.3 CCCSC(C)CC 62a_100000758301_100000210303 [0,1,0,0,0,0|2,0,1]=4 370 B7R0.3 CCNCC(C)CC 2230a_100015525214_100000748023 [0,1,0,0,0,0|1,0,2]=4 371 B7R0.3 CCNCC(C)CC 2230a_100020588543_100000210202 [0,1,0,0,0,0|1,0,2]=4 372 B7R0.3 CCNCC(C)CC 270004a_100015525214_100000243153 [0,1,0,0,0,0|1,0,2]=4 373 B7R0.3 CCNC[C@@H](C)CC 2230a_100015525214_100009816398 [0,1,0,0,0,0|1,0,2]=4 374 B7R0.3 CCOCC(C)CC 34a_100121572206_100000748023 [0,1,0,0,0,0|2,0,1]=4 375 B7R0.3 CCOC[C@@H](C)CC 34a_100121572206_100009816398 [0,1,0,0,0,0|2,0,1]=4 376 B7R0.3 CCOC[C@@H](C)CC 7a_100009816381_100000210202 [0,1,0,0,0,0|2,0,1]=4 377 B7R0.3 CCSCC(C)CC 62a_100000210202_100000748023 [0,1,0,0,0,0|2,0,1]=4 378 B7R0.3 CCSCC(C)CC 62a_100000748023_100000210202 [0,1,0,0,0,0|2,0,1]=4 379 B7R0.3 CCSC[C@@H](C)CC 62a_100000210202_100009816398 [0,1,0,0,0,0|2,0,1]=4 380 B7R0.3 CCSC[C@@H](C)CC 62a_100009816398_100000210202 [0,1,0,0,0,0|2,0,1]=4 381 B7R0.3 CC[C@H](C)COCF 7a_100009816381_100015361967 [0,1,0,0,0,0|2,0,1]=4 382 B7R0.3 CC[C@H](C)CSCF 62a_100009816398_100015361967 [0,1,0,0,0,0|2,0,1]=4 383 B7R0.3 CC[C@H](C)CSCF 62a_100015361967_100009816398 [0,1,0,0,0,0|2,0,1]=4 384 B7R0.5 CC(C)C(C)OCF 7a_100000748068_100015361967 [0,1,0,0,0,0|2,0,1]=4 385 B7R0.5 CCNC(C)C(C)C 2230a_100000211541_100000210202 [0,1,0,0,0,0|1,0,2]=4 386 B7R0.5 CCOC(C)C(C)C 7a_100000748068_100000210202 [0,1,0,0,0,0|2,0,1]=4 387 B7R0.7 C#CCC(C)OCC 34a_100000685586_100000210202 [0,1,0,0,0,0|2,0,1]=4 388 B7R0.7 C#CCC(C)OCC 7a_100000685586_100000210202 [0,1,0,0,0,0|2,0,1]=4 389 B7R0.7 C/C=C/C(C)OCC 34a_200102604097_100000210202 [0,1,0,0,0,0|2,0,1]=4 390 B7R0.7 C=CCC(C)COC 34a_100009832082_200000210301 [0,1,0,0,0,0|2,0,1]=4 391 B7R0.7 C=CCC(C)COC 7a_100009832082_200000210301 [0,1,0,0,0,0|2,0,1]=4 392 B7R0.7 C=CCC(C)CO[13CH3] 34a_100009832082_200025704644 [0,1,0,0,0,0|2,0,1]=4 393 B7R0.7 C=CCC(C)CO[13CH3] 7a_100009832082_200025704644 [0,1,0,0,0,0|2,0,1]=4 394 B7R0.7 C=CC[C@@H](C)OCC 34a_100000731007_100000210202 [0,1,0,0,0,0|2,0,1]=4 395 B7R0.7 C=CC[C@@H](C)OCC 7a_100000731007_100000210202 [0,1,0,0,0,0|2,0,1]=4 396 B7R0.7 CC#CC(C)OCC 34a_100011216543_100000210202 [0,1,0,0,0,0|2,0,1]=4 397 B7R0.7 CC(CCBr)OCF 34a_100012276601_100015361967 [0,1,0,0,0,0|2,0,1]=4 398 B7R0.7 CC(CCN)CO[13CH3] 34a_106354213184_200025704644 [0,1,0,0,0,0|2,0,1]=4 399 B7R0.7 CC(CCO)SCF 62a_100009893172_100015361967 [0,1,0,0,0,0|2,0,1]=4 400 B7R0.7 CC(CCO)SCF 62a_100015361967_100009893172 [0,1,0,0,0,0|2,0,1]=4 401 B7R0.7 CCCC(C)CNC 2230a_106832991635_100011216630 [0,1,0,0,0,0|2,0,1]=4 402 B7R0.7 CCCC(C)CNC 270004a_106832991635_100000243154 [0,1,0,0,0,0|2,0,1]=4 403 B7R0.7 CCCC(C)CNC 34a_100102657272_100011216630 [0,1,0,0,0,0|2,0,1]=4 404 B7R0.7 CCCC(C)CNC 7a_106832991635_100011216630 [0,1,0,0,0,0|2,0,1]=4 405 B7R0.7 CCCC(C)COC 34a_100000688023_200000210301 [0,1,0,0,0,0|2,0,1]=4 406 B7R0.7 CCCC(C)COC 34a_100138415774_100011216630 [0,1,0,0,0,0|2,0,1]=4 407 B7R0.7 CCCC(C)COC 7a_100000688023_200000210301 [0,1,0,0,0,0|2,0,1]=4 408 B7R0.7 CCCC(C)CO[13CH3] 34a_100000688023_200025704644 [0,1,0,0,0,0|2,0,1]=4 409 B7R0.7 CCCC(C)CO[13CH3] 7a_100000688023_200025704644 [0,1,0,0,0,0|2,0,1]=4 410 B7R0.7 CCCC(C)CSC 62a_100011216630_200000210301 [0,1,0,0,0,0|2,0,1]=4 411 B7R0.7 CCCC(C)CSC 62a_200000210301_100011216630 [0,1,0,0,0,0|2,0,1]=4 412 B7R0.7 CCCC(C)CS[13CH3] 62a_100011216630_200025704644 [0,1,0,0,0,0|2,0,1]=4 413 B7R0.7 CCCC(C)CS[13CH3] 62a_200025704644_100011216630 [0,1,0,0,0,0|2,0,1]=4 414 B7R0.7 CCCC(C)NCC 2230a_100000741246_100000210202 [0,1,0,0,0,0|1,0,2]=4 415 B7R0.7 CCCC(C)NCC 2230a_100015525214_100000766640 [0,1,0,0,0,0|1,0,2]=4 416 B7R0.7 CCCC(C)NCC 270004a_100015525214_100000211909 [0,1,0,0,0,0|1,0,2]=4 417 B7R0.7 CCCC(C)OCC 34a_100000764384_100000210202 [0,1,0,0,0,0|2,0,1]=4 418 B7R0.7 CCCC(C)OCC 34a_100121572206_100000766640 [0,1,0,0,0,0|2,0,1]=4 419 B7R0.7 CCCC(C)OCC 7a_100000764384_100000210202 [0,1,0,0,0,0|2,0,1]=4 420 B7R0.7 CCCC(C)OCF 34a_100000764384_100015361967 [0,1,0,0,0,0|2,0,1]=4 421 B7R0.7 CCCC(C)OCF 7a_100000764384_100015361967 [0,1,0,0,0,0|2,0,1]=4 422 B7R0.7 CCCC(C)SCC 62a_100000210202_100000766640 [0,1,0,0,0,0|2,0,1]=4 423 B7R0.7 CCCC(C)SCC 62a_100000766640_100000210202 [0,1,0,0,0,0|2,0,1]=4 424 B7R0.7 CCCC(C)SCF 62a_100000766640_100015361967 [0,1,0,0,0,0|2,0,1]=4 425 B7R0.7 CCCC(C)SCF 62a_100015361967_100000766640 [0,1,0,0,0,0|2,0,1]=4 426 B7R0.7 CCNC(C)CC#N 2230a_100015525214_100009813641 [0,1,0,0,0,0|2,0,1]=4 427 B7R0.7 CCNC(C)CCO 2230a_100015525214_100009893172 [0,1,0,0,0,0|1,0,2]=4 428 B7R0.7 CCNC(C)COC 2230a_100015525214_100000765312 [0,1,0,0,0,0|1,0,2]=4 429 B7R0.7 CCNC(C)COC 270004a_100015525214_100000749346 [0,1,0,0,0,0|1,0,2]=4 430 B7R0.7 CCNC(C)CSC 270004a_100015525214_100011216314 [0,1,0,0,0,0|1,0,2]=4 431 B7R0.7 CCN[C@@H](C)CC#N 2230a_100016994482_100000210202 [0,1,0,0,0,0|2,0,1]=4 432 B7R0.7 CCN[C@H](C)CCO 2230a_100000706166_100000210202 [0,1,0,0,0,0|1,0,2]=4 433 B7R0.7 CCN[C@H](C)CCO 34a_100000706166_100000210202 [0,1,0,0,0,0|1,0,2]=4 434 B7R0.7 CCN[C@H](C)COC 2230a_100000764878_100000210202 [0,1,0,0,0,0|1,0,2]=4 435 B7R0.7 CCOC(C)CCBr 34a_100012276601_100000210202 [0,1,0,0,0,0|2,0,1]=4 436 B7R0.7 CCOC(C)CCO 34a_100121572206_100009893172 [0,1,0,0,0,0|1,1,1]=4 437 B7R0.7 CCOC(C)COC 34a_100121572206_100000765312 [0,1,0,0,0,0|2,0,1]=4 438 B7R0.7 CCO[C@H](C)COC 34a_100011934205_100000210202 [0,1,0,0,0,0|2,0,1]=4 439 B7R0.7 CCSC(C)CC#N 62a_100000210202_100009813641 [0,1,0,0,0,0|2,0,1]=4 440 B7R0.7 CCSC(C)CC#N 62a_100009813641_100000210202 [0,1,0,0,0,0|2,0,1]=4 441 B7R0.7 CCSC(C)CCO 62a_100000210202_100009893172 [0,1,0,0,0,0|1,1,1]=4 442 B7R0.7 CCSC(C)CCO 62a_100009893172_100000210202 [0,1,0,0,0,0|1,1,1]=4 443 B7R0.7 CCSC(C)COC 62a_100000210202_100000765312 [0,1,0,0,0,0|2,0,1]=4 444 B7R0.7 CCSC(C)COC 62a_100000765312_100000210202 [0,1,0,0,0,0|2,0,1]=4 445 B7R0.7 COCC(C)CCN 34a_106354213184_200000210301 [0,1,0,0,0,0|2,0,1]=4 446 B7R0.7 COCC(C)SCF 62a_100000765312_100015361967 [0,1,0,0,0,0|2,0,1]=4 447 B7R0.7 COCC(C)SCF 62a_100015361967_100000765312 [0,1,0,0,0,0|2,0,1]=4 448 B7R0.7 COC[C@@H](C)OCF 34a_100011934205_100015361967 [0,1,0,0,0,0|2,0,1]=4 449 B7R0.7 C[C@H](CCO)NCF 34a_100000706166_100015361967 [0,1,0,0,0,0|1,0,2]=4 450 B7R0.10 C#CC(=O)C(C)CC 1458a_100000211873_100000758301 [0,1,0,0,0,0|2,0,1]=4 451 B7R0.10 C=CC(=O)C(C)CC 1458a_100000185746_100000758301 [0,1,0,0,0,0|2,0,1]=4 452 B7R0.10 CCC(=O)C(C)CC 1458a_100000210414_100000758301 [0,1,0,0,0,0|2,0,1]=4 453 B7R0.10 CCC(=O)C(C)CC 1458a_100011192722_100000210202 [0,1,0,0,0,0|2,0,1]=4 454 B7R0.10 CCC(C)C(=O)CF 1458a_100011192722_100015361967 [0,1,0,0,0,0|2,0,1]=4 455 B7R0.10 CCC(C)C(=O)CO 1458a_100000210174_100000758301 [0,1,0,0,0,0|1,1,1]=4 456 B7R0.10 CCC(C)C(=O)NC 11a_106832991635_100011192722 [0,1,0,0,0,0|3,0,0]=4 457 B7R0.10 CCC(C)C(=O)NC 1626a_100102657272_100011192722 [0,1,0,0,0,0|3,0,0]=4 458 B7R0.10 CCC(C)C(=O)NC 240690a_100102657272_100011192722 [0,1,0,0,0,0|3,0,0]=4 459 B7R0.10 CCC(C)C(=O)NC 527a_100102657272_100011192722 [0,1,0,0,0,0|3,0,0]=4 460 B7R0.10 CCC(C)C(C)NC 269862a_106832991636_100000210599 [0,1,0,0,0,0|3,0,0]=4 461 B7R0.10 CCC(C)C(C)NC 270004a_106832991635_100000210599 [0,1,0,0,0,0|3,0,0]=4 462 B7R0.10 CCC(C)C(C)OC 7a_100011215189_200000210301 [0,1,0,0,0,0|3,0,0]=4 463 B7R0.10 CCC(C)C(C)O[13CH3] 7a_100011215189_200025704644 [0,1,0,0,0,0|3,0,0]=4 464 B7R0.10 CCC(C)N(C)CC 2230a_100000225621_100000758301 [0,1,0,0,0,0|1,0,2]=4 465 B7R0.10 CCC(C)N(C)CC 2230a_100000732650_200000210301 [0,1,0,0,0,0|1,0,2]=4 466 B7R0.10 CCC(C)N(C)CC 2230a_100000741768_100000210202 [0,1,0,0,0,0|1,0,2]=4 467 B7R0.10 CCC(C)N(C)CC 269982a_100000225621_100000758301 [0,1,0,0,0,0|1,0,2]=4 468 B7R0.10 CCC(C)N(C)CC 269982a_100000732650_200000210301 [0,1,0,0,0,0|1,0,2]=4 469 B7R0.10 CCC(C)N(C)CC 269982a_100000741768_100000204670 [0,1,0,0,0,0|1,0,2]=4 470 B7R0.10 CCC(C)N(C)CF 269982a_100000741768_100015361967 [0,1,0,0,0,0|1,0,2]=4 471 B7R0.10 CCC(C)N([13CH3])CC 2230a_100000732650_200025704644 [0,1,0,0,0,0|1,0,2]=4 472 B7R0.10 CCC(C)N([13CH3])CC 269982a_100000732650_200025704644 [0,1,0,0,0,0|1,0,2]=4 473 B7R0.11 CCC(C)(C)COC 7a_100000765029_200000210301 [0,1,0,0,0,0|3,0,0]=4 474 B7R0.11 CCC(C)(C)CO[13CH3] 7a_100000765029_200025704644 [0,1,0,0,0,0|3,0,0]=4 475 B7R0.11 CCC(C)(C)OCF 7a_100000210230_100015361967 [0,1,0,0,0,0|2,0,1]=4 476 B7R0.11 CCC(C)(C)SCF 62a_100000032637_100015361967 [0,1,0,0,0,0|2,0,1]=4 477 B7R0.11 CCC(C)(C)SCF 62a_100015361967_100000032637 [0,1,0,0,0,0|2,0,1]=4 478 B7R0.11 CCNC(C)(C)CC 2230a_100000211385_100000210202 [0,1,0,0,0,0|1,0,2]=4 479 B7R0.11 CCOC(C)(C)CC 7a_100000210230_100000210202 [0,1,0,0,0,0|2,0,1]=4 480 B7R0.11 CCSC(C)(C)CC 62a_100000032637_100000210202 [0,1,0,0,0,0|2,0,1]=4 481 B7R0.11 CCSC(C)(C)CC 62a_100000210202_100000032637 [0,1,0,0,0,0|2,0,1]=4 482 B7R0.12 C#CCC(CC)OC 34a_200011217983_200000210301 [0,1,0,0,0,0|2,0,1]=4 483 B7R0.12 C#CCC(CC)OC 7a_200011217983_200000210301 [0,1,0,0,0,0|2,0,1]=4 484 B7R0.12 C#CCC(CC)O[13CH3] 34a_200011217983_200025704644 [0,1,0,0,0,0|2,0,1]=4 485 B7R0.12 C#CCC(CC)O[13CH3] 7a_200011217983_200025704644 [0,1,0,0,0,0|2,0,1]=4 486 B7R0.12 CC#CC(CC)OC 34a_200011219922_200000210301 [0,1,0,0,0,0|2,0,1]=4 487 B7R0.12 CC#CC(CC)OC 7a_200011219922_200000210301 [0,1,0,0,0,0|2,0,1]=4 488 B7R0.12 CC#CC(CC)O[13CH3] 34a_200011219922_200025704644 [0,1,0,0,0,0|2,0,1]=4 489 B7R0.12 CC#CC(CC)O[13CH3] 7a_200011219922_200025704644 [0,1,0,0,0,0|2,0,1]=4 490 B7R0.12 CCC(CC)CNC 2230a_100102946423_200000210301 [0,1,0,0,0,0|3,0,0]=4 491 B7R0.12 CCC(CC)CNC 2230a_106832991635_100011215472 [0,1,0,0,0,0|3,0,0]=4 492 B7R0.12 CCC(CC)CNC 269862a_106832991636_100000211137 [0,1,0,0,0,0|3,0,0]=4 493 B7R0.12 CCC(CC)CNC 270004a_106832991635_100000211137 [0,1,0,0,0,0|3,0,0]=4 494 B7R0.12 CCC(CC)CNC 34a_100102657272_100011215472 [0,1,0,0,0,0|3,0,0]=4 495 B7R0.12 CCC(CC)CNC 7a_106832991635_100011215472 [0,1,0,0,0,0|3,0,0]=4 496 B7R0.12 CCC(CC)CN[13CH3] 2230a_100102946423_200025704644 [0,1,0,0,0,0|3,0,0]=4 497 B7R0.12 CCC(CC)COC 34a_100138415774_100011215472 [0,1,0,0,0,0|3,0,0]=4 498 B7R0.12 CCC(CC)COC 7a_100000703878_200000210301 [0,1,0,0,0,0|3,0,0]=4 499 B7R0.12 CCC(CC)CO[13CH3] 7a_100000703878_200025704644 [0,1,0,0,0,0|3,0,0]=4 500 B7R0.12 CCC(CC)CSC 62a_100011215472_200000210301 [0,1,0,0,0,0|3,0,0]=4 501 B7R0.12 CCC(CC)CSC 62a_200000210301_100011215472 [0,1,0,0,0,0|3,0,0]=4 502 B7R0.12 CCC(CC)CS[13CH3] 62a_100011215472_200025704644 [0,1,0,0,0,0|3,0,0]=4 503 B7R0.12 CCC(CC)CS[13CH3] 62a_200025704644_100011215472 [0,1,0,0,0,0|3,0,0]=4 504 B7R0.12 CCC(CC)OCF 7a_100000688536_100015361967 [0,1,0,0,0,0|2,0,1]=4 505 B7R0.12 CCC(CC)SCF 62a_100000210505_100015361967 [0,1,0,0,0,0|2,0,1]=4 506 B7R0.12 CCC(CC)SCF 62a_100015361967_100000210505 [0,1,0,0,0,0|2,0,1]=4 507 B7R0.12 CCC(COC)NC 2230a_100000757820_200000210301 [0,1,0,0,0,0|3,0,0]=4 508 B7R0.12 CCC(COC)NC 270004a_106832991635_100000757811 [0,1,0,0,0,0|3,0,0]=4 509 B7R0.12 CCC(COC)N[13CH3] 2230a_100000757820_200025704644 [0,1,0,0,0,0|3,0,0]=4 510 B7R0.12 CCC(COC)OC 34a_100011934954_200000210301 [0,1,0,0,0,0|3,0,0]=4 511 B7R0.12 CCC(COC)OC 7a_100011934954_200000210301 [0,1,0,0,0,0|3,0,0]=4 512 B7R0.12 CCC(COC)OC 7a_200011214946_200000210301 [0,1,0,0,0,0|3,0,0]=4 513 B7R0.12 CCC(COC)O[13CH3] 7a_200011214946_200025704644 [0,1,0,0,0,0|3,0,0]=4 514 B7R0.12 CCC(CO[13CH3])OC 34a_100011934954_200025704644 [0,1,0,0,0,0|3,0,0]=4 515 B7R0.12 CCC(CO[13CH3])OC 7a_100011934954_200025704644 [0,1,0,0,0,0|3,0,0]=4 516 B7R0.12 CCCC(CC)NC 2230a_100000747048_200000210301 [0,1,0,0,0,0|2,0,1]=4 517 B7R0.12 CCCC(CC)NC 270004a_106832991635_100000687865 [0,1,0,0,0,0|2,0,1]=4 518 B7R0.12 CCCC(CC)NC 7a_106832991635_100011219200 [0,1,0,0,0,0|2,0,1]=4 519 B7R0.12 CCCC(CC)N[13CH3] 2230a_100000747048_200025704644 [0,1,0,0,0,0|2,0,1]=4 520 B7R0.12 CCCC(CC)OC 34a_100000687864_200000210301 [0,1,0,0,0,0|2,0,1]=4 521 B7R0.12 CCCC(CC)OC 7a_100000687864_200000210301 [0,1,0,0,0,0|2,0,1]=4 522 B7R0.12 CCCC(CC)O[13CH3] 34a_100000687864_200025704644 [0,1,0,0,0,0|2,0,1]=4 523 B7R0.12 CCCC(CC)O[13CH3] 7a_100000687864_200025704644 [0,1,0,0,0,0|2,0,1]=4 524 B7R0.12 CCCC(CC)SC 62a_100011219200_200000210301 [0,1,0,0,0,0|2,0,1]=4 525 B7R0.12 CCCC(CC)SC 62a_200000210301_100011219200 [0,1,0,0,0,0|2,0,1]=4 526 B7R0.12 CCCC(CC)S[13CH3] 62a_100011219200_200025704644 [0,1,0,0,0,0|2,0,1]=4 527 B7R0.12 CCCC(CC)S[13CH3] 62a_200025704644_100011219200 [0,1,0,0,0,0|2,0,1]=4 528 B7R0.12 CCNC(CC)CC 2230a_100000199018_100000210202 [0,1,0,0,0,0|1,0,2]=4 529 B7R0.12 CCNC(CC)CC 270004a_100015525214_100000210860 [0,1,0,0,0,0|1,0,2]=4 530 B7R0.12 CCN[C@@H](CC)CO 2230a_100000709445_100000210202 [0,1,0,0,0,0|1,0,2]=4 531 B7R0.12 CCOC(CC)CC 7a_100000688536_100000210202 [0,1,0,0,0,0|2,0,1]=4 532 B7R0.12 CCSC(CC)CC 62a_100000210202_100000210505 [0,1,0,0,0,0|2,0,1]=4 533 B7R0.12 CCSC(CC)CC 62a_100000210505_100000210202 [0,1,0,0,0,0|2,0,1]=4 534 B7R0.12 CC[C@H](CC#N)NC 2230a_200009818565_200000210301 [0,1,0,0,0,0|2,0,1]=4 535 B7R0.12 CC[C@H](CC#N)N[13CH3] 2230a_200009818565_200025704644 [0,1,0,0,0,0|2,0,1]=4 536 B7R1.2 C[C@@H]1CCN(C1)C 2230a_100016987628_200000210301 [0,0,0,1,0,0|3,0,0]=4 537 B7R1.2 C[C@@H]1CCN(C1)C 269982a_100016987628_200000210301 [0,0,0,1,0,0|3,0,0]=4 538 B7R1.2 C[C@@H]1CCN(C1)C 34a_100016987628_200000210301 [0,0,0,1,0,0|3,0,0]=4 539 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 2230a_100016987628_200025704644 [0,0,0,1,0,0|3,0,0]=4 540 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 269982a_100016987628_200025704644 [0,0,0,1,0,0|3,0,0]=4 541 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 34a_100016987628_200025704644 [0,0,0,1,0,0|3,0,0]=4 542 B7R1.5 CC1CC1CO[13CH3] 34a_100000744939_200025704644 [0,0,0,1,0,0|3,0,0]=4 543 B7R1.5 CC1CC1CO[13CH3] 7a_100000744939_200025704644 [0,0,0,1,0,0|3,0,0]=4 544 B7R1.5 COCC1CC1C 34a_100000744939_200000210301 [0,0,0,1,0,0|3,0,0]=4 545 B7R1.5 COCC1CC1C 7a_100000744939_200000210301 [0,0,0,1,0,0|3,0,0]=4 546 B7R1.6 CCNC1CCC1 2230a_100000749019_100000210202 [0,0,0,1,0,0|1,0,2]=4 547 B7R1.6 CCNC1CCC1 270004a_100015525214_100000241760 [0,0,0,1,0,0|1,0,2]=4 548 B7R1.6 CCNC1CCC1 34a_100000749019_100000210202 [0,0,0,1,0,0|1,0,2]=4 549 B7R1.6 CCOC1CCC1 34a_100000748187_100000210202 [0,0,0,1,0,0|2,0,1]=4 550 B7R1.6 CCOC1CCC1 34a_100121572206_100000749161 [0,0,0,1,0,0|2,0,1]=4 551 B7R1.6 CCSC1CCC1 62a_100000210202_100000749161 [0,0,0,1,0,0|2,0,1]=4 552 B7R1.6 CNCC1CCC1 2230a_100000738700_200000210301 [0,0,0,1,0,0|3,0,0]=4 553 B7R1.6 CNCC1CCC1 2230a_106832991635_100000763275 [0,0,0,1,0,0|3,0,0]=4 554 B7R1.6 CNCC1CCC1 269862a_106832991636_100000753134 [0,0,0,1,0,0|3,0,0]=4 555 B7R1.6 CNCC1CCC1 34a_100000738700_200000210301 [0,0,0,1,0,0|3,0,0]=4 556 B7R1.6 CNCC1CCC1 34a_100102657272_100000763275 [0,0,0,1,0,0|3,0,0]=4 557 B7R1.6 CNCC1CCC1 7a_106832991635_100000763275 [0,0,0,1,0,0|3,0,0]=4 558 B7R1.6 COCC1CCC1 34a_100000760304_200000210301 [0,0,0,1,0,0|3,0,0]=4 559 B7R1.6 COCC1CCC1 34a_100138415774_100000763275 [0,0,0,1,0,0|3,0,0]=4 560 B7R1.6 CSCC1CCC1 62a_100000763275_200000210301 [0,0,0,1,0,0|3,0,0]=4 561 B7R1.6 CSCC1CCC1 62a_200000210301_100000763275 [0,0,0,1,0,0|3,0,0]=4 562 B7R1.6 FCNC1CCC1 34a_100000749019_100015361967 [0,0,0,1,0,0|1,0,2]=4 563 B7R1.6 FCOC1CCC1 34a_100000748187_100015361967 [0,0,0,1,0,0|2,0,1]=4 564 B7R1.6 FCSC1CCC1 62a_100015361967_100000749161 [0,0,0,1,0,0|2,0,1]=4 565 B7R1.6 [13CH3]NCC1CCC1 2230a_100000738700_200025704644 [0,0,0,1,0,0|3,0,0]=4 566 B7R1.6 [13CH3]NCC1CCC1 34a_100000738700_200025704644 [0,0,0,1,0,0|3,0,0]=4 567 B7R1.6 [13CH3]OCC1CCC1 34a_100000760304_200025704644 [0,0,0,1,0,0|3,0,0]=4 568 B7R1.6 [13CH3]SCC1CCC1 62a_100000763275_200025704644 [0,0,0,1,0,0|3,0,0]=4 569 B7R1.6 [13CH3]SCC1CCC1 62a_200025704644_100000763275 [0,0,0,1,0,0|3,0,0]=4 570 B7R1.8 CC1CCN1CF 269982a_100000755817_100015361967 [0,0,0,1,0,0|1,0,2]=4 571 B7R1.8 CC1CCN1CF 34a_100000755817_100015361967 [0,0,0,1,0,0|1,0,2]=4 572 B7R1.8 CCN1CCC1C 269982a_100000755817_100000204670 [0,0,0,1,0,0|1,0,2]=4 573 B7R1.8 CCN1CCC1C 34a_100000755817_100000210202 [0,0,0,1,0,0|1,0,2]=4 574 B7R1.10 CCC1CN(C1)C 2230a_100015205115_200000210301 [0,0,0,1,0,0|3,0,0]=4 575 B7R1.10 CCC1CN(C1)C 269982a_100015205115_200000210301 [0,0,0,1,0,0|3,0,0]=4 576 B7R1.10 CCC1CN(C1)[13CH3] 2230a_100015205115_200025704644 [0,0,0,1,0,0|3,0,0]=4 577 B7R1.10 CCC1CN(C1)[13CH3] 269982a_100015205115_200025704644 [0,0,0,1,0,0|3,0,0]=4 578 B7R1.21 CC1(CC1)CN[13CH3] 2230a_100000766693_200025704644 [0,0,0,1,0,0|3,0,0]=4 579 B7R1.21 CC1(CC1)CO[13CH3] 7a_100000698024_200025704644 [0,0,0,1,0,0|3,0,0]=4 580 B7R1.21 CC1(CC1)OCF 7a_100011725673_100015361967 [0,0,0,1,0,0|2,0,1]=4 581 B7R1.21 CCNC1(CC1)C 2230a_100000757604_100000210202 [0,0,0,1,0,0|1,0,2]=4 582 B7R1.21 CCOC1(CC1)C 7a_100011725673_100000210202 [0,0,0,1,0,0|2,0,1]=4 583 B7R1.21 CNCC1(CC1)C 2230a_100000766693_200000210301 [0,0,0,1,0,0|3,0,0]=4 584 B7R1.21 COCC1(CC1)C 7a_100000698024_200000210301 [0,0,0,1,0,0|3,0,0]=4 585 B4R0.1 CC(C)N[13CH3] 2230a_100138425928_200025704644 [2,0,0,0,0,0|0,0,2]=4 586 B4R0.1 CC(C)N[13CH3] 34a_100138425928_200025704644 [2,0,0,0,0,0|0,0,2]=4 587 B4R0.1 CC(C)O[13CH3] 34a_100000212225_200025704644 [2,0,0,0,0,0|1,0,1]=4 588 B4R0.1 CC(C)S[13CH3] 62a_100000210206_200025704644 [2,0,0,0,0,0|1,0,1]=4 589 B4R0.1 CC(C)S[13CH3] 62a_200025704644_100000210206 [2,0,0,0,0,0|1,0,1]=4 590 B4R0.1 CCC(=O)C 1458a_100000070787_100000210202 [2,0,0,0,0,0|0,1,1]=4 591 B4R0.1 CCC(=O)C 1458a_100000210414_200000210301 [2,0,0,0,0,0|0,1,1]=4 592 B4R0.1 CCC(=O)[13CH3] 1458a_100000210414_200025704644 [2,0,0,0,0,0|0,1,1]=4 593 B4R0.1 CCN(C)C 2230a_100000225621_200000210301 [2,0,0,0,0,0|1,0,1]=4 594 B4R0.1 CCN(C)C 2230a_100102631434_100000210202 [2,0,0,0,0,0|1,0,1]=4 595 B4R0.1 CCN(C)C 269982a_100000225621_200000210301 [2,0,0,0,0,0|1,0,1]=4 596 B4R0.1 CCN(C)C 269982a_100102631434_100000204670 [2,0,0,0,0,0|1,0,1]=4 597 B4R0.1 CCN(C)[13CH3] 2230a_100000225621_200025704644 [2,0,0,0,0,0|1,0,1]=4 598 B4R0.1 CCN(C)[13CH3] 269982a_100000225621_200025704644 [2,0,0,0,0,0|1,0,1]=4 599 B4R0.1 CNC(C)C 2230a_100138425928_200000210301 [2,0,0,0,0,0|0,0,2]=4 600 B4R0.1 CNC(C)C 2230a_106832991635_100000210206 [2,0,0,0,0,0|0,0,2]=4 601 B4R0.1 CNC(C)C 34a_100102657272_100000210206 [2,0,0,0,0,0|0,0,2]=4 602 B4R0.1 CNC(C)C 34a_100138425928_200000210301 [2,0,0,0,0,0|0,0,2]=4 603 B4R0.1 CNC(C)C 7a_106832991635_100000210206 [2,0,0,0,0,0|0,0,2]=4 604 B4R0.1 COC(C)C 34a_100000212225_200000210301 [2,0,0,0,0,0|1,0,1]=4 605 B4R0.1 COC(C)C 34a_100138415774_100000210206 [2,0,0,0,0,0|1,0,1]=4 606 B4R0.1 CSC(C)C 62a_100000210206_200000210301 [2,0,0,0,0,0|1,0,1]=4 607 B4R0.1 CSC(C)C 62a_200000210301_100000210206 [2,0,0,0,0,0|1,0,1]=4 608 B4R0.2 CCCNC 2230a_106832991635_100000210303 [2,0,0,0,0,0|0,0,2]=4 609 B4R0.2 CCCNC 34a_100102657272_100000210303 [2,0,0,0,0,0|0,0,2]=4 610 B4R0.2 CCCNC 7a_106832991635_100000210303 [2,0,0,0,0,0|0,0,2]=4 611 B4R0.2 CCCOC 34a_100000210258_200000210301 [2,0,0,0,0,0|1,0,1]=4 612 B4R0.2 CCCOC 34a_100138415774_100000210303 [2,0,0,0,0,0|1,0,1]=4 613 B4R0.2 CCCO[13CH3] 34a_100000210258_200025704644 [2,0,0,0,0,0|1,0,1]=4 614 B4R0.2 CCCSC 62a_100000210303_200000210301 [2,0,0,0,0,0|1,0,1]=4 615 B4R0.2 CCCSC 62a_200000210301_100000210303 [2,0,0,0,0,0|1,0,1]=4 616 B4R0.2 CCCS[13CH3] 62a_100000210303_200025704644 [2,0,0,0,0,0|1,0,1]=4 617 B4R0.2 CCCS[13CH3] 62a_200025704644_100000210303 [2,0,0,0,0,0|1,0,1]=4 618 B6R0.4 CC=NNC(C)C 4a_100000741168_200000210099 [1,1,0,0,0,0|1,0,1]=4 619 B6R0.6 CC=NNCCC 4a_100000740057_200000210099 [1,1,0,0,0,0|1,0,1]=4 620 B6R0.8 CCC(C)(C)NC 2230a_100000211385_200000210301 [1,1,0,0,0,0|0,0,2]=4 621 B6R0.8 CCC(C)(C)NC 7a_106832991635_100000210677 [1,1,0,0,0,0|0,0,2]=4 622 B6R0.8 CCC(C)(C)N[13CH3] 2230a_100000211385_200025704644 [1,1,0,0,0,0|0,0,2]=4 623 B6R0.8 CCC(C)(C)OC 7a_100000210230_200000210301 [1,1,0,0,0,0|1,0,1]=4 624 B6R0.8 CCC(C)(C)O[13CH3] 7a_100000210230_200025704644 [1,1,0,0,0,0|1,0,1]=4 625 B6R0.8 CCC(C)(C)SC 62a_100000032637_200000210301 [1,1,0,0,0,0|1,0,1]=4 626 B6R0.8 CCC(C)(C)SC 62a_200000210301_100000032637 [1,1,0,0,0,0|1,0,1]=4 627 B6R0.8 CCC(C)(C)S[13CH3] 62a_100000032637_200025704644 [1,1,0,0,0,0|1,0,1]=4 628 B6R0.8 CCC(C)(C)S[13CH3] 62a_200025704644_100000032637 [1,1,0,0,0,0|1,0,1]=4 629 B6R0.9 C#CC(CC)OC 34a_100000758843_200000210301 [1,1,0,0,0,0|1,0,1]=4 630 B6R0.9 C#CC(CC)OC 7a_100000758843_200000210301 [1,1,0,0,0,0|1,0,1]=4 631 B6R0.9 C#CC(CC)O[13CH3] 34a_100000758843_200025704644 [1,1,0,0,0,0|1,0,1]=4 632 B6R0.9 C#CC(CC)O[13CH3] 7a_100000758843_200025704644 [1,1,0,0,0,0|1,0,1]=4 633 B6R0.9 C=CC(CC)OC 34a_100000766422_200000210301 [1,1,0,0,0,0|1,0,1]=4 634 B6R0.9 C=CC(CC)OC 7a_100000766422_200000210301 [1,1,0,0,0,0|1,0,1]=4 635 B6R0.9 C=CC(CC)O[13CH3] 34a_100000766422_200025704644 [1,1,0,0,0,0|1,0,1]=4 636 B6R0.9 C=CC(CC)O[13CH3] 7a_100000766422_200025704644 [1,1,0,0,0,0|1,0,1]=4 637 B6R0.9 CCC(CC)NC 2230a_100000199018_200000210301 [1,1,0,0,0,0|0,0,2]=4 638 B6R0.9 CCC(CC)NC 270004a_106832991635_100000210860 [1,1,0,0,0,0|0,0,2]=4 639 B6R0.9 CCC(CC)NC 7a_106832991635_100000210505 [1,1,0,0,0,0|0,0,2]=4 640 B6R0.9 CCC(CC)N[13CH3] 2230a_100000199018_200025704644 [1,1,0,0,0,0|0,0,2]=4 641 B6R0.9 CCC(CC)OC 7a_100000688536_200000210301 [1,1,0,0,0,0|1,0,1]=4 642 B6R0.9 CCC(CC)O[13CH3] 7a_100000688536_200025704644 [1,1,0,0,0,0|1,0,1]=4 643 B6R0.9 CCC(CC)SC 62a_100000210505_200000210301 [1,1,0,0,0,0|1,0,1]=4 644 B6R0.9 CCC(CC)SC 62a_200000210301_100000210505 [1,1,0,0,0,0|1,0,1]=4 645 B6R0.9 CCC(CC)S[13CH3] 62a_100000210505_200025704644 [1,1,0,0,0,0|1,0,1]=4 646 B6R0.9 CCC(CC)S[13CH3] 62a_200025704644_100000210505 [1,1,0,0,0,0|1,0,1]=4 647 B6R0.9 CC[C@@H](CO)NC 2230a_100000709445_200000210301 [1,1,0,0,0,0|0,0,2]=4 648 B6R0.9 CC[C@@H](CO)N[13CH3] 2230a_100000709445_200025704644 [1,1,0,0,0,0|0,0,2]=4 649 B8R0.6 CCC=NNC(C)CC 4a_100000718999_100000210100 [0,2,0,0,0,0|1,0,1]=4 650 B8R0.6 CCNN=CC(C)CC 4a_100000756455_100000243153 [0,2,0,0,0,0|1,0,1]=4 651 B8R0.11 CC=NNC(CC)CC 4a_100000756293_200000210099 [0,2,0,0,0,0|1,0,1]=4 652 B6R1.7 CC1(CC1)N[13CH3] 2230a_100000757604_200025704644 [1,0,0,1,0,0|0,0,2]=4 653 B6R1.7 CC1(CC1)O[13CH3] 7a_100011725673_200025704644 [1,0,0,1,0,0|1,0,1]=4 654 B6R1.7 CNC1(CC1)C 2230a_100000757604_200000210301 [1,0,0,1,0,0|0,0,2]=4 655 B6R1.7 COC1(CC1)C 7a_100011725673_200000210301 [1,0,0,1,0,0|1,0,1]=4 656 B8R1.10 CC=NNC1CCC1 4a_100000736358_200000210099 [0,1,0,1,0,0|1,0,1]=4