0 B6R0.1 C#CC(=O)CC=C 1458a_100000211873_100000210623 [0,0,0,0,0,0|0,0,4]=4 1 B6R0.1 C#CC(=O)CCC 1458a_100000211873_100000210303 [0,0,0,0,0,0|0,0,4]=4 2 B6R0.1 C#CCC(=O)CC 1458a_100000210414_100000184674 [0,0,0,0,0,0|0,0,3]=3 3 B6R0.1 C#CCC(=O)CC 1458a_100011220946_100000210202 [0,0,0,0,0,0|0,0,3]=3 4 B6R0.1 C#CCC(=O)CF 1458a_100011220946_100015361967 [0,0,0,0,0,0|1,0,3]=4 5 B6R0.1 C#CCC(=O)CO 1458a_100000210174_100000184674 [0,0,0,0,0,0|1,0,3]=4 6 B6R0.1 C#CCC(=O)NC 1626a_100102657272_100011220946 [0,0,0,0,0,0|1,0,3]=4 7 B6R0.1 C#CCC(=O)NC 527a_100102657272_100011220946 [0,0,0,0,0,0|1,0,3]=4 8 B6R0.1 C/C=C/C(C)OC 34a_200102604097_200000210301 [0,0,0,0,0,0|2,0,1]=3 9 B6R0.1 C/C=C/C(C)O[13CH3] 34a_200102604097_200025704644 [0,0,0,0,0,0|2,0,1]=3 10 B6R0.1 C=CC(=O)CCC 1458a_100000185746_100000210303 [0,0,0,0,0,0|0,0,4]=4 11 B6R0.1 C=CC(=O)NCC 240690a_100015525214_200121576911 [0,0,0,0,0,0|1,0,3]=4 12 B6R0.1 C=CC(=O)NNC 22a_100016993582_100000185746 [0,0,0,0,0,0|2,0,2]=4 13 B6R0.1 C=CCC(=O)C=C 1458a_100000185746_100000210623 [0,0,0,0,0,0|0,0,4]=4 14 B6R0.1 C=CCC(=O)CC 1458a_100000210193_100000210202 [0,0,0,0,0,0|0,0,2]=2 15 B6R0.1 C=CCC(=O)CC 1458a_100000210414_100000210623 [0,0,0,0,0,0|0,0,2]=2 16 B6R0.1 C=CCC(=O)CF 1458a_100000210193_100015361967 [0,0,0,0,0,0|1,0,2]=3 17 B6R0.1 C=CCC(=O)CO 1458a_100000210174_100000210623 [0,0,0,0,0,0|1,0,2]=3 18 B6R0.1 C=CCC(=O)NC 11a_106832991635_100000210193 [0,0,0,0,0,0|1,0,2]=3 19 B6R0.1 C=CCC(=O)NC 1626a_100102657272_100000210193 [0,0,0,0,0,0|1,0,2]=3 20 B6R0.1 C=CCC(=O)NC 240690a_100102657272_100000210193 [0,0,0,0,0,0|1,0,2]=3 21 B6R0.1 C=CCC(=O)NC 527a_100102657272_100000210193 [0,0,0,0,0,0|1,0,2]=3 22 B6R0.1 C=CCN(C)CC 2230a_100000225617_100000210202 [0,0,0,0,0,0|2,0,2]=4 23 B6R0.1 C=CCN(C)CC 2230a_100000225621_100000210623 [0,0,0,0,0,0|2,0,2]=4 24 B6R0.1 C=CCN(C)CC 269982a_100000225617_100000204670 [0,0,0,0,0,0|2,0,2]=4 25 B6R0.1 C=CCN(C)CC 269982a_100000225621_100000210623 [0,0,0,0,0,0|2,0,2]=4 26 B6R0.1 CC#CC(=O)CC 1458a_100000763181_100000210202 [0,0,0,0,0,0|0,0,2]=2 27 B6R0.1 CC#CC(=O)CF 1458a_100000763181_100015361967 [0,0,0,0,0,0|1,0,2]=3 28 B6R0.1 CC=CC(=O)CC 1458a_100000210699_100000210202 [0,0,0,0,0,0|0,0,0]=0 29 B6R0.1 CC=CC(=O)CF 1458a_100000210699_100015361967 [0,0,0,0,0,0|1,0,0]=1 30 B6R0.1 CC=CC(=O)NC 11a_106832991635_100000210699 [0,0,0,0,0,0|1,0,0]=1 31 B6R0.1 CC=CC(=O)NC 1626a_100102657272_100000210699 [0,0,0,0,0,0|1,0,0]=1 32 B6R0.1 CC=CC(=O)NC 240690a_100102657272_100000210699 [0,0,0,0,0,0|1,0,0]=1 33 B6R0.1 CCC(=O)C=CBr 1458a_100016273825_100000210202 [0,0,0,0,0,0|1,0,0]=1 34 B6R0.1 CCC(=O)C=CCl 1458a_200016279998_100000210202 [0,0,0,0,0,0|1,0,0]=1 35 B6R0.1 CCC(=O)C=CI 1458a_100016256311_100000210202 [0,0,0,0,0,0|1,0,0]=1 36 B6R0.1 CCC(=O)CC#N 1458a_100000210414_100011214920 [0,0,0,0,0,0|1,0,2]=3 37 B6R0.1 CCC(=O)CC#N 1458a_100051588842_100000210202 [0,0,0,0,0,0|1,0,2]=3 38 B6R0.1 CCC(=O)CCF 1458a_100000210414_100011217306 [0,0,0,0,0,0|1,0,2]=3 39 B6R0.1 CCC(=O)CCO 1458a_100000210414_100000211926 [0,0,0,0,0,0|1,0,2]=3 40 B6R0.1 CCC(=O)CCO 1458a_100011216618_100000210202 [0,0,0,0,0,0|1,0,2]=3 41 B6R0.1 CCC(=O)CNC 7a_106832991635_100000747405 [0,0,0,0,0,0|1,0,1]=2 42 B6R0.1 CCC(=O)COC 1458a_100000210968_100000210202 [0,0,0,0,0,0|1,0,1]=2 43 B6R0.1 CCC(=O)COC 34a_100000725409_200000210301 [0,0,0,0,0,0|1,0,1]=2 44 B6R0.1 CCC(=O)CO[13CH3] 34a_100000725409_200025704644 [0,0,0,0,0,0|1,0,1]=2 45 B6R0.1 CCC(=O)CSC 1458a_100000184570_100000210202 [0,0,0,0,0,0|1,0,1]=2 46 B6R0.1 CCC(=O)CSC 62a_100000747405_200000210301 [0,0,0,0,0,0|1,0,1]=2 47 B6R0.1 CCC(=O)CSC 62a_200000210301_100000747405 [0,0,0,0,0,0|1,0,1]=2 48 B6R0.1 CCC(=O)CS[13CH3] 62a_100000747405_200025704644 [0,0,0,0,0,0|1,0,1]=2 49 B6R0.1 CCC(=O)CS[13CH3] 62a_200025704644_100000747405 [0,0,0,0,0,0|1,0,1]=2 50 B6R0.1 CCC(=O)NNC 22a_100016993582_100000210414 [0,0,0,0,0,0|2,0,0]=2 51 B6R0.1 CCC(C)CNC 2230a_100020588543_200000210301 [0,0,0,0,0,0|2,0,2]=4 52 B6R0.1 CCC(C)CNC 2230a_106832991635_100000748023 [0,0,0,0,0,0|2,0,2]=4 53 B6R0.1 CCC(C)CNC 270004a_106832991635_100000243153 [0,0,0,0,0,0|2,0,2]=4 54 B6R0.1 CCC(C)CNC 34a_100102657272_100000748023 [0,0,0,0,0,0|2,0,2]=4 55 B6R0.1 CCC(C)CNC 7a_106832991635_100000748023 [0,0,0,0,0,0|2,0,2]=4 56 B6R0.1 CCC(C)CN[13CH3] 2230a_100020588543_200025704644 [0,0,0,0,0,0|2,0,2]=4 57 B6R0.1 CCC(C)COC 34a_100138415774_100000748023 [0,0,0,0,0,0|2,0,2]=4 58 B6R0.1 CCC(C)CSC 62a_100000748023_200000210301 [0,0,0,0,0,0|2,0,2]=4 59 B6R0.1 CCC(C)CSC 62a_200000210301_100000748023 [0,0,0,0,0,0|2,0,2]=4 60 B6R0.1 CCC(C)CS[13CH3] 62a_100000748023_200025704644 [0,0,0,0,0,0|2,0,2]=4 61 B6R0.1 CCC(C)CS[13CH3] 62a_200025704644_100000748023 [0,0,0,0,0,0|2,0,2]=4 62 B6R0.1 CCC(O)CNC 2230a_100011218483_200000210301 [0,0,0,0,0,0|1,0,3]=4 63 B6R0.1 CCC(O)CNC 2230a_106832991635_100011218378 [0,0,0,0,0,0|1,0,3]=4 64 B6R0.1 CCC(O)CNC 34a_100102657272_100011218378 [0,0,0,0,0,0|1,0,3]=4 65 B6R0.1 CCC(O)CNC 7a_106832991635_100011218378 [0,0,0,0,0,0|1,0,3]=4 66 B6R0.1 CCC(O)CN[13CH3] 2230a_100011218483_200025704644 [0,0,0,0,0,0|1,0,3]=4 67 B6R0.1 CCC(O)COC 34a_100138415774_100011218378 [0,0,0,0,0,0|1,0,3]=4 68 B6R0.1 CCC(O)CSC 62a_100011218378_200000210301 [0,0,0,0,0,0|1,0,3]=4 69 B6R0.1 CCC(O)CSC 62a_200000210301_100011218378 [0,0,0,0,0,0|1,0,3]=4 70 B6R0.1 CCC(O)CS[13CH3] 62a_100011218378_200025704644 [0,0,0,0,0,0|1,0,3]=4 71 B6R0.1 CCC(O)CS[13CH3] 62a_200025704644_100011218378 [0,0,0,0,0,0|1,0,3]=4 72 B6R0.1 CCCC(=O)CC 1458a_100000210414_100000210303 [0,0,0,0,0,0|0,0,2]=2 73 B6R0.1 CCCC(=O)CC 1458a_100000211992_100000210202 [0,0,0,0,0,0|0,0,2]=2 74 B6R0.1 CCCC(=O)CF 1458a_100000211992_100015361967 [0,0,0,0,0,0|1,0,2]=3 75 B6R0.1 CCCC(=O)CO 1458a_100000210174_100000210303 [0,0,0,0,0,0|1,0,2]=3 76 B6R0.1 CCCC(=O)NC 11a_106832991635_100000211992 [0,0,0,0,0,0|1,0,2]=3 77 B6R0.1 CCCC(=O)NC 1626a_100102657272_100000211992 [0,0,0,0,0,0|1,0,2]=3 78 B6R0.1 CCCC(=O)NC 240690a_100102657272_100000211992 [0,0,0,0,0,0|1,0,2]=3 79 B6R0.1 CCCC(=O)NC 527a_100102657272_100000211992 [0,0,0,0,0,0|1,0,2]=3 80 B6R0.1 CCCN(C)CC 2230a_100000225621_100000210303 [0,0,0,0,0,0|2,0,2]=4 81 B6R0.1 CCCN(C)CC 2230a_100000226822_200000210301 [0,0,0,0,0,0|2,0,2]=4 82 B6R0.1 CCCN(C)CC 2230a_100000747261_100000210202 [0,0,0,0,0,0|2,0,2]=4 83 B6R0.1 CCCN(C)CC 269982a_100000225621_100000210303 [0,0,0,0,0,0|2,0,2]=4 84 B6R0.1 CCCN(C)CC 269982a_100000226822_200000210301 [0,0,0,0,0,0|2,0,2]=4 85 B6R0.1 CCCN(C)CC 269982a_100000747261_100000204670 [0,0,0,0,0,0|2,0,2]=4 86 B6R0.1 CCCN([13CH3])CC 2230a_100000226822_200025704644 [0,0,0,0,0,0|2,0,2]=4 87 B6R0.1 CCCN([13CH3])CC 269982a_100000226822_200025704644 [0,0,0,0,0,0|2,0,2]=4 88 B6R0.1 CCN(C)CC=O 2230a_100000225621_200015260668 [0,0,0,0,0,0|3,0,1]=4 89 B6R0.1 CCN(C)CC=O 269982a_100000225621_200015260668 [0,0,0,0,0,0|3,0,1]=4 90 B6R0.1 CCN(C)COC 2230a_100000225621_100000766300 [0,0,0,0,0,0|3,0,1]=4 91 B6R0.1 CCN(C)COC 269982a_100000225621_100000766300 [0,0,0,0,0,0|3,0,1]=4 92 B6R0.1 CCN(C)CSC 2230a_100000225621_100011218213 [0,0,0,0,0,0|3,0,1]=4 93 B6R0.1 CCN(C)CSC 269982a_100000225621_100011218213 [0,0,0,0,0,0|3,0,1]=4 94 B6R0.1 CCNC(=O)CC 11a_100015525214_100000210414 [0,0,0,0,0,0|1,0,1]=2 95 B6R0.1 CCNC(=O)CC 240690a_100015525214_100000210414 [0,0,0,0,0,0|1,0,1]=2 96 B6R0.1 CCNC(=O)CC 527a_100015525214_100000210414 [0,0,0,0,0,0|1,0,1]=2 97 B6R0.1 CCNC(=O)CO 240690a_100015525214_100000210174 [0,0,0,0,0,0|2,0,1]=3 98 B6R0.1 CCNC(=O)CO 527a_100015525214_100000210174 [0,0,0,0,0,0|2,0,1]=3 99 B6R0.1 CCNC(=O)NC 2708a_100015525214_106832991635 [0,0,0,0,0,0|2,0,1]=3 100 B6R0.1 CCNC(=O)NC 2708a_100102657272_100015525214 [0,0,0,0,0,0|2,0,1]=3 101 B6R0.1 CCNC(=O)NC 273464a_100015525214_100102657272 [0,0,0,0,0,0|2,0,1]=3 102 B6R0.1 CCNC(=O)NC 273464a_100102657272_100015525214 [0,0,0,0,0,0|2,0,1]=3 103 B6R0.1 CCNC(=O)NC 512a_100015525214_100102657272 [0,0,0,0,0,0|2,0,1]=3 104 B6R0.1 CCNC(=O)NC 512a_106832991638_100015525214 [0,0,0,0,0,0|2,0,1]=3 105 B6R0.1 CCNC(C)CC 2230a_100000209981_100000210202 [0,0,0,0,0,0|2,0,2]=4 106 B6R0.1 CCNC(C)CC 2230a_100015525214_100000758301 [0,0,0,0,0,0|2,0,2]=4 107 B6R0.1 CCOC(C)CC 34a_100121572206_100011215416 [0,0,0,0,0,0|2,0,2]=4 108 B6R0.1 CCOC(C)CC 7a_100000210228_100000210202 [0,0,0,0,0,0|2,0,2]=4 109 B6R0.1 CCSC(C)CC 62a_100000210202_100000758301 [0,0,0,0,0,0|2,0,2]=4 110 B6R0.1 CCSC(C)CC 62a_100000758301_100000210202 [0,0,0,0,0,0|2,0,2]=4 111 B6R0.1 CC[C@H](C)CNC 2230a_106832991635_100009816398 [0,0,0,0,0,0|2,0,2]=4 112 B6R0.1 CC[C@H](C)CNC 34a_100102657272_100009816398 [0,0,0,0,0,0|2,0,2]=4 113 B6R0.1 CC[C@H](C)CNC 7a_106832991635_100009816398 [0,0,0,0,0,0|2,0,2]=4 114 B6R0.1 CC[C@H](C)COC 34a_100138415774_100009816398 [0,0,0,0,0,0|2,0,2]=4 115 B6R0.1 CC[C@H](C)COC 7a_100009816381_200000210301 [0,0,0,0,0,0|2,0,2]=4 116 B6R0.1 CC[C@H](C)CO[13CH3] 7a_100009816381_200025704644 [0,0,0,0,0,0|2,0,2]=4 117 B6R0.1 CC[C@H](C)CSC 62a_100009816398_200000210301 [0,0,0,0,0,0|2,0,2]=4 118 B6R0.1 CC[C@H](C)CSC 62a_200000210301_100009816398 [0,0,0,0,0,0|2,0,2]=4 119 B6R0.1 CC[C@H](C)CS[13CH3] 62a_100009816398_200025704644 [0,0,0,0,0,0|2,0,2]=4 120 B6R0.1 CC[C@H](C)CS[13CH3] 62a_200025704644_100009816398 [0,0,0,0,0,0|2,0,2]=4 121 B6R0.1 CNC(=O)C=CBr 1626a_100102657272_100016273825 [0,0,0,0,0,0|2,0,0]=2 122 B6R0.1 CNC(=O)C=CBr 240690a_100102657272_100016273825 [0,0,0,0,0,0|2,0,0]=2 123 B6R0.1 CNC(=O)C=CCl 11a_106832991635_200016279998 [0,0,0,0,0,0|2,0,0]=2 124 B6R0.1 CNC(=O)C=CCl 1626a_100102657272_200016279998 [0,0,0,0,0,0|2,0,0]=2 125 B6R0.1 CNC(=O)C=CCl 240690a_100102657272_200016279998 [0,0,0,0,0,0|2,0,0]=2 126 B6R0.1 CNC(=O)C=CI 1626a_100102657272_100016256311 [0,0,0,0,0,0|2,0,0]=2 127 B6R0.1 CNC(=O)CC#N 1626a_100102657272_100051588842 [0,0,0,0,0,0|2,0,2]=4 128 B6R0.1 CNC(=O)CC#N 240690a_100102657272_100051588842 [0,0,0,0,0,0|2,0,2]=4 129 B6R0.1 CNC(=O)CCO 240690a_100102657272_100011216618 [0,0,0,0,0,0|2,0,2]=4 130 B6R0.1 CNC(=O)CN[13CH3] 2230a_100000693194_200025704644 [0,0,0,0,0,0|2,0,1]=3 131 B6R0.1 CNC(=O)COC 11a_106832991635_100000210968 [0,0,0,0,0,0|2,0,1]=3 132 B6R0.1 CNC(=O)COC 1626a_100102657272_100000210968 [0,0,0,0,0,0|2,0,1]=3 133 B6R0.1 CNC(=O)COC 240690a_100102657272_100000210968 [0,0,0,0,0,0|2,0,1]=3 134 B6R0.1 CNC(=O)COC 34a_100000750040_200000210301 [0,0,0,0,0,0|2,0,1]=3 135 B6R0.1 CNC(=O)COC 34a_100138415774_100000183359 [0,0,0,0,0,0|2,0,1]=3 136 B6R0.1 CNC(=O)COC 527a_100102657272_100000210968 [0,0,0,0,0,0|2,0,1]=3 137 B6R0.1 CNC(=O)CO[13CH3] 34a_100000750040_200025704644 [0,0,0,0,0,0|2,0,1]=3 138 B6R0.1 CNC(=O)CSC 11a_106832991635_100000184570 [0,0,0,0,0,0|2,0,1]=3 139 B6R0.1 CNC(=O)CSC 1626a_100102657272_100000184570 [0,0,0,0,0,0|2,0,1]=3 140 B6R0.1 CNC(=O)CSC 240690a_100102657272_100000184570 [0,0,0,0,0,0|2,0,1]=3 141 B6R0.1 CNC(=O)CSC 527a_100102657272_100000184570 [0,0,0,0,0,0|2,0,1]=3 142 B6R0.1 CNC(=O)CSC 62a_100000183359_200000210301 [0,0,0,0,0,0|2,0,1]=3 143 B6R0.1 CNC(=O)CSC 62a_200000210301_100000183359 [0,0,0,0,0,0|2,0,1]=3 144 B6R0.1 CNC(=O)CS[13CH3] 62a_100000183359_200025704644 [0,0,0,0,0,0|2,0,1]=3 145 B6R0.1 CNC(=O)CS[13CH3] 62a_200025704644_100000183359 [0,0,0,0,0,0|2,0,1]=3 146 B6R0.1 CNCC(=O)NC 2230a_100000693194_200000210301 [0,0,0,0,0,0|2,0,1]=3 147 B6R0.1 CNCC(=O)NC 2230a_106832991635_100000183359 [0,0,0,0,0,0|2,0,1]=3 148 B6R0.1 CNCC(=O)NC 34a_100102657272_100000183359 [0,0,0,0,0,0|2,0,1]=3 149 B6R0.1 CNCC(=O)NC 7a_106832991635_100000183359 [0,0,0,0,0,0|2,0,1]=3 150 B6R0.1 CNCC(=O)OC 2230a_106832991635_100000747449 [0,0,0,0,0,0|2,0,1]=3 151 B6R0.1 CNCC(=O)OC 34a_100102657272_100000747449 [0,0,0,0,0,0|2,0,1]=3 152 B6R0.1 CNCC(=O)OC 7a_106832991635_100000747449 [0,0,0,0,0,0|2,0,1]=3 153 B6R0.1 CNNC(=O)CO 22a_100016993582_100000210174 [0,0,0,0,0,0|3,0,0]=3 154 B6R0.1 CNNC(=O)NC 273464a_100102657272_100016993582 [0,0,0,0,0,0|3,0,0]=3 155 B6R0.1 CNNC(=O)NC 512a_100016993582_100102657272 [0,0,0,0,0,0|3,0,0]=3 156 B6R0.1 CNNC(=O)NC 512a_106832991638_100016993582 [0,0,0,0,0,0|3,0,0]=3 157 B6R0.1 COC(=O)CSC 62a_100000747449_200000210301 [0,0,0,0,0,0|2,0,1]=3 158 B6R0.1 COC(=O)CSC 62a_200000210301_100000747449 [0,0,0,0,0,0|2,0,1]=3 159 B6R0.1 COC(=O)CS[13CH3] 62a_100000747449_200025704644 [0,0,0,0,0,0|2,0,1]=3 160 B6R0.1 COC(=O)CS[13CH3] 62a_200025704644_100000747449 [0,0,0,0,0,0|2,0,1]=3 161 B6R0.1 COCC(=O)CF 1458a_100000210968_100015361967 [0,0,0,0,0,0|2,0,1]=3 162 B6R0.1 COCC(=O)OC 34a_100138415774_100000747449 [0,0,0,0,0,0|2,0,1]=3 163 B6R0.1 CSCC(=O)CF 1458a_100000184570_100015361967 [0,0,0,0,0,0|2,0,1]=3 164 B6R0.1 N#CCC(=O)CF 1458a_100051588842_100015361967 [0,0,0,0,0,0|2,0,2]=4 165 B6R0.1 N#CCC(=O)CO 1458a_100000210174_100011214920 [0,0,0,0,0,0|2,0,2]=4 166 B6R0.1 O=C(C=CBr)CF 1458a_100016273825_100015361967 [0,0,0,0,0,0|2,0,0]=2 167 B6R0.1 O=C(C=CCl)CF 1458a_200016279998_100015361967 [0,0,0,0,0,0|2,0,0]=2 168 B6R0.1 O=C(C=CI)CF 1458a_100016256311_100015361967 [0,0,0,0,0,0|2,0,0]=2 169 B6R0.1 O=C(CF)CCO 1458a_100011216618_100015361967 [0,0,0,0,0,0|2,0,2]=4 170 B6R0.1 O=C(CO)CCF 1458a_100000210174_100011217306 [0,0,0,0,0,0|2,0,2]=4 171 B6R0.1 O=C(CO)CCO 1458a_100000210174_100000211926 [0,0,0,0,0,0|2,0,2]=4 172 B5R0.1 C#CCC(=O)C 1458a_100000070787_100000184674 [1,0,0,0,0,0|0,0,3]=4 173 B5R0.1 C#CCC(=O)C 1458a_100011220946_200000210301 [1,0,0,0,0,0|0,0,3]=4 174 B5R0.1 C#CCC(=O)[13CH3] 1458a_100011220946_200025704644 [1,0,0,0,0,0|0,0,3]=4 175 B5R0.1 C=C(C)CNC 2230a_106832991635_100000748629 [1,0,0,0,0,0|2,0,1]=4 176 B5R0.1 C=C(C)CNC 34a_100102657272_100000748629 [1,0,0,0,0,0|2,0,1]=4 177 B5R0.1 C=C(C)CNC 7a_106832991635_100000748629 [1,0,0,0,0,0|2,0,1]=4 178 B5R0.1 C=C(C)COC 34a_100000210245_200000210301 [1,0,0,0,0,0|2,0,1]=4 179 B5R0.1 C=C(C)COC 34a_100138415774_100000748629 [1,0,0,0,0,0|2,0,1]=4 180 B5R0.1 C=C(C)CO[13CH3] 34a_100000210245_200025704644 [1,0,0,0,0,0|2,0,1]=4 181 B5R0.1 C=C(C)CSC 62a_100000748629_200000210301 [1,0,0,0,0,0|2,0,1]=4 182 B5R0.1 C=C(C)CSC 62a_200000210301_100000211660 [1,0,0,0,0,0|2,0,1]=4 183 B5R0.1 C=C(C)CS[13CH3] 62a_100000748629_200025704644 [1,0,0,0,0,0|2,0,1]=4 184 B5R0.1 C=C(C)CS[13CH3] 62a_200025704644_100000211660 [1,0,0,0,0,0|2,0,1]=4 185 B5R0.1 C=CCC(=O)C 1458a_100000070787_100000210623 [1,0,0,0,0,0|0,0,2]=3 186 B5R0.1 C=CCC(=O)C 1458a_100000210193_200000210301 [1,0,0,0,0,0|0,0,2]=3 187 B5R0.1 C=CCC(=O)[13CH3] 1458a_100000210193_200025704644 [1,0,0,0,0,0|0,0,2]=3 188 B5R0.1 CC#CC(=O)C 1458a_100000763181_200000210301 [1,0,0,0,0,0|0,0,2]=3 189 B5R0.1 CC#CC(=O)[13CH3] 1458a_100000763181_200025704644 [1,0,0,0,0,0|0,0,2]=3 190 B5R0.1 CC(=O)C=CBr 1458a_100016273825_200000210301 [1,0,0,0,0,0|1,0,0]=2 191 B5R0.1 CC(=O)C=CCl 1458a_200016279998_200000210301 [1,0,0,0,0,0|1,0,0]=2 192 B5R0.1 CC(=O)C=CI 1458a_100016256311_200000210301 [1,0,0,0,0,0|1,0,0]=2 193 B5R0.1 CC(=O)CC#N 1458a_100000070787_100011214920 [1,0,0,0,0,0|1,0,2]=4 194 B5R0.1 CC(=O)CC#N 1458a_100051588842_200000210301 [1,0,0,0,0,0|1,0,2]=4 195 B5R0.1 CC(=O)CCF 1458a_100000070787_100011217306 [1,0,0,0,0,0|1,0,2]=4 196 B5R0.1 CC(=O)CCO 1458a_100000070787_100000211926 [1,0,0,0,0,0|1,0,2]=4 197 B5R0.1 CC(=O)CCO 1458a_100011216618_200000210301 [1,0,0,0,0,0|1,0,2]=4 198 B5R0.1 CC(=O)CO[13CH3] 34a_100000211253_200025704644 [1,0,0,0,0,0|1,0,1]=3 199 B5R0.1 CC=CC(=O)C 1458a_100000210699_200000210301 [1,0,0,0,0,0|0,0,0]=1 200 B5R0.1 CC=CC(=O)[13CH3] 1458a_100000210699_200025704644 [1,0,0,0,0,0|0,0,0]=1 201 B5R0.1 CCCC(=O)C 1458a_100000070787_100000210303 [1,0,0,0,0,0|0,0,2]=3 202 B5R0.1 CCCC(=O)C 1458a_100000211992_200000210301 [1,0,0,0,0,0|0,0,2]=3 203 B5R0.1 CCCC(=O)[13CH3] 1458a_100000211992_200025704644 [1,0,0,0,0,0|0,0,2]=3 204 B5R0.1 CCNC(=O)C 11a_100015525214_100015343762 [1,0,0,0,0,0|1,0,1]=3 205 B5R0.1 CCNC(=O)C 240690a_100015525214_100015343762 [1,0,0,0,0,0|1,0,1]=3 206 B5R0.1 CCNC(=O)C 527a_100015525214_100103153847 [1,0,0,0,0,0|1,0,1]=3 207 B5R0.1 CNCC(=O)N 2230a_100000711301_200000210301 [1,0,0,0,0,0|2,0,1]=4 208 B5R0.1 CNCC(=O)N 2230a_106832991635_100000747473 [1,0,0,0,0,0|2,0,1]=4 209 B5R0.1 CNCC(=O)N 34a_100102657272_100000187820 [1,0,0,0,0,0|2,0,1]=4 210 B5R0.1 CNCC(=O)N 7a_106832991635_100000187820 [1,0,0,0,0,0|2,0,1]=4 211 B5R0.1 CNCC(=O)O 269956a_100016091260_200000210301 [1,0,0,0,0,0|2,0,1]=4 212 B5R0.1 CNCC(=O)[O-] 34a_100102657272_100020667443 [1,0,0,0,0,0|2,0,1]=4 213 B5R0.1 CNNC(=O)C 22a_100016993582_100000070787 [1,0,0,0,0,0|2,0,0]=3 214 B5R0.1 COCC(=O)C 1458a_100000210968_200000210301 [1,0,0,0,0,0|1,0,1]=3 215 B5R0.1 COCC(=O)C 34a_100000211253_200000210301 [1,0,0,0,0,0|1,0,1]=3 216 B5R0.1 COCC(=O)N 34a_100138415774_100000187820 [1,0,0,0,0,0|2,0,1]=4 217 B5R0.1 COCC(=O)[13CH3] 1458a_100000210968_200025704644 [1,0,0,0,0,0|1,0,1]=3 218 B5R0.1 COCC(=O)[O-] 34a_100138415774_100020667443 [1,0,0,0,0,0|2,0,1]=4 219 B5R0.1 CSCC(=O)C 1458a_100000184570_200000210301 [1,0,0,0,0,0|1,0,1]=3 220 B5R0.1 CSCC(=O)N 62a_100000747473_200000210301 [1,0,0,0,0,0|2,0,1]=4 221 B5R0.1 CSCC(=O)N 62a_200000210301_100000747473 [1,0,0,0,0,0|2,0,1]=4 222 B5R0.1 CSCC(=O)[13CH3] 1458a_100000184570_200025704644 [1,0,0,0,0,0|1,0,1]=3 223 B5R0.1 CSCC(=O)[O-] 62a_100020667443_200000210301 [1,0,0,0,0,0|2,0,1]=4 224 B5R0.1 CSCC(=O)[O-] 62a_200000210301_100020667443 [1,0,0,0,0,0|2,0,1]=4 225 B5R0.1 [13CH3]C(=O)C=CBr 1458a_100016273825_200025704644 [1,0,0,0,0,0|1,0,0]=2 226 B5R0.1 [13CH3]C(=O)C=CCl 1458a_200016279998_200025704644 [1,0,0,0,0,0|1,0,0]=2 227 B5R0.1 [13CH3]C(=O)C=CI 1458a_100016256311_200025704644 [1,0,0,0,0,0|1,0,0]=2 228 B5R0.1 [13CH3]C(=O)CC#N 1458a_100051588842_200025704644 [1,0,0,0,0,0|1,0,2]=4 229 B5R0.1 [13CH3]C(=O)CCO 1458a_100011216618_200025704644 [1,0,0,0,0,0|1,0,2]=4 230 B5R0.1 [13CH3]NCC(=O)N 2230a_100000711301_200025704644 [1,0,0,0,0,0|2,0,1]=4 231 B5R0.1 [13CH3]NCC(=O)O 269956a_100016091260_200025704644 [1,0,0,0,0,0|2,0,1]=4 232 B5R0.1 [13CH3]SCC(=O)N 62a_100000747473_200025704644 [1,0,0,0,0,0|2,0,1]=4 233 B5R0.1 [13CH3]SCC(=O)N 62a_200025704644_100000747473 [1,0,0,0,0,0|2,0,1]=4 234 B5R0.1 [13CH3]SCC(=O)[O-] 62a_100020667443_200025704644 [1,0,0,0,0,0|2,0,1]=4 235 B5R0.1 [13CH3]SCC(=O)[O-] 62a_200025704644_100020667443 [1,0,0,0,0,0|2,0,1]=4 236 B5R0.2 C/C=C/CNC 34a_100102657272_100102629194 [1,0,0,0,0,0|1,0,1]=3 237 B5R0.2 C/C=C/CNC 7a_106832991635_100102629194 [1,0,0,0,0,0|1,0,1]=3 238 B5R0.2 C/C=C/COC 34a_100016270725_200000210301 [1,0,0,0,0,0|1,0,1]=3 239 B5R0.2 C/C=C/COC 34a_100138415774_100102629194 [1,0,0,0,0,0|1,0,1]=3 240 B5R0.2 C/C=C/CO[13CH3] 34a_100016270725_200025704644 [1,0,0,0,0,0|1,0,1]=3 241 B5R0.2 C/C=C/CSC 62a_100102629194_200000210301 [1,0,0,0,0,0|1,0,1]=3 242 B5R0.2 C/C=C/CSC 62a_200000210301_100102629194 [1,0,0,0,0,0|1,0,1]=3 243 B5R0.2 C/C=C/CS[13CH3] 62a_100102629194_200025704644 [1,0,0,0,0,0|1,0,1]=3 244 B5R0.2 C/C=C/CS[13CH3] 62a_200025704644_100102629194 [1,0,0,0,0,0|1,0,1]=3 245 B5R0.2 C=CCNCC 2230a_100015525214_100000210623 [1,0,0,0,0,0|1,0,2]=4 246 B5R0.2 C=CCNCC 2230a_100020586998_100000210202 [1,0,0,0,0,0|1,0,2]=4 247 B5R0.2 C=CCOCC 34a_100121572206_100015514636 [1,0,0,0,0,0|1,0,2]=4 248 B5R0.2 C=CCOCC 34a_200000210373_100000210202 [1,0,0,0,0,0|1,0,2]=4 249 B5R0.2 C=CCSCC 62a_100000210202_100000210623 [1,0,0,0,0,0|1,0,2]=4 250 B5R0.2 C=CCSCC 62a_100000210623_100000210202 [1,0,0,0,0,0|1,0,2]=4 251 B5R0.2 CC=CCNC 2230a_106832991635_100000070051 [1,0,0,0,0,0|1,0,1]=3 252 B5R0.2 CC=CCNC 34a_100102657272_100000070051 [1,0,0,0,0,0|1,0,1]=3 253 B5R0.2 CC=CCNC 7a_106832991635_100000070051 [1,0,0,0,0,0|1,0,1]=3 254 B5R0.2 CC=CCOC 34a_100138415774_100000070051 [1,0,0,0,0,0|1,0,1]=3 255 B5R0.2 CC=CCSC 62a_100000070051_200000210301 [1,0,0,0,0,0|1,0,1]=3 256 B5R0.2 CC=CCSC 62a_200000210301_100000070051 [1,0,0,0,0,0|1,0,1]=3 257 B5R0.2 CC=CCS[13CH3] 62a_100000070051_200025704644 [1,0,0,0,0,0|1,0,1]=3 258 B5R0.2 CC=CCS[13CH3] 62a_200025704644_100000070051 [1,0,0,0,0,0|1,0,1]=3 259 B5R0.2 CC=NNCC 4a_100000756455_200000210099 [1,0,0,0,0,0|2,0,0]=3 260 B5R0.2 CCCCNC 2230a_100000102301_200000210301 [1,0,0,0,0,0|1,0,2]=4 261 B5R0.2 CCCCNC 2230a_106832991635_100000210211 [1,0,0,0,0,0|1,0,2]=4 262 B5R0.2 CCCCNC 34a_100102657272_100000210210 [1,0,0,0,0,0|1,0,2]=4 263 B5R0.2 CCCCNC 7a_106832991635_100000210211 [1,0,0,0,0,0|1,0,2]=4 264 B5R0.2 CCCCNC 7a_106832991798_200000210301 [1,0,0,0,0,0|1,0,2]=4 265 B5R0.2 CCCCN[13CH3] 2230a_100000102301_200025704644 [1,0,0,0,0,0|1,0,2]=4 266 B5R0.2 CCCCN[13CH3] 7a_106832991798_200025704644 [1,0,0,0,0,0|1,0,2]=4 267 B5R0.2 CCCCOC 34a_100000210227_200000210301 [1,0,0,0,0,0|1,0,2]=4 268 B5R0.2 CCCCOC 34a_100138415774_100000210210 [1,0,0,0,0,0|1,0,2]=4 269 B5R0.2 CCCCOC 7a_100000210227_200000210301 [1,0,0,0,0,0|1,0,2]=4 270 B5R0.2 CCCCO[13CH3] 34a_100000210227_200025704644 [1,0,0,0,0,0|1,0,2]=4 271 B5R0.2 CCCCO[13CH3] 7a_100000210227_200025704644 [1,0,0,0,0,0|1,0,2]=4 272 B5R0.2 CCCCSC 62a_100000210211_200000210301 [1,0,0,0,0,0|1,0,2]=4 273 B5R0.2 CCCCSC 62a_200000210301_100000210210 [1,0,0,0,0,0|1,0,2]=4 274 B5R0.2 CCCCS[13CH3] 62a_100000210211_200025704644 [1,0,0,0,0,0|1,0,2]=4 275 B5R0.2 CCCCS[13CH3] 62a_200025704644_100000210210 [1,0,0,0,0,0|1,0,2]=4 276 B5R0.2 CCCNCC 2230a_100015525214_100000210303 [1,0,0,0,0,0|1,0,2]=4 277 B5R0.2 CCCOCC 34a_100000210258_100000210202 [1,0,0,0,0,0|1,0,2]=4 278 B5R0.2 CCCOCC 34a_100121572206_100000210303 [1,0,0,0,0,0|1,0,2]=4 279 B5R0.2 CCCSCC 62a_100000210202_100000210303 [1,0,0,0,0,0|1,0,2]=4 280 B5R0.2 CCCSCC 62a_100000210303_100000210202 [1,0,0,0,0,0|1,0,2]=4 281 B5R0.2 CCNCC=O 2230a_100015525214_200015260668 [1,0,0,0,0,0|2,0,1]=4 282 B5R0.2 CCNCOC 2230a_100015525214_100000766300 [1,0,0,0,0,0|2,0,1]=4 283 B5R0.2 CCNCSC 2230a_100015525214_100011218213 [1,0,0,0,0,0|2,0,1]=4 284 B5R0.2 CCOCC=O 34a_100121572206_200009817547 [1,0,0,0,0,0|2,0,1]=4 285 B5R0.2 CCOCSC 34a_100121572206_100011218213 [1,0,0,0,0,0|2,0,1]=4 286 B5R0.2 CCOCSC 62a_100000739092_200000210301 [1,0,0,0,0,0|2,0,1]=4 287 B5R0.2 CCOCSC 62a_200000210301_100000739092 [1,0,0,0,0,0|2,0,1]=4 288 B5R0.2 CCOCS[13CH3] 62a_100000739092_200025704644 [1,0,0,0,0,0|2,0,1]=4 289 B5R0.2 CCOCS[13CH3] 62a_200025704644_100000739092 [1,0,0,0,0,0|2,0,1]=4 290 B5R0.2 CCSCC=O 62a_100000210202_200015260668 [1,0,0,0,0,0|2,0,1]=4 291 B5R0.2 CCSCC=O 62a_200015260668_100000210202 [1,0,0,0,0,0|2,0,1]=4 292 B5R0.2 CCSCOC 62a_100000210202_100000766300 [1,0,0,0,0,0|2,0,1]=4 293 B5R0.2 CCSCOC 62a_100000766300_100000210202 [1,0,0,0,0,0|2,0,1]=4 294 B5R0.2 CCSCSC 62a_100000210202_100011218213 [1,0,0,0,0,0|2,0,1]=4 295 B5R0.2 CCSCSC 62a_100011218213_100000210202 [1,0,0,0,0,0|2,0,1]=4 296 B5R0.3 C#CC(=O)CC 1458a_100000211873_100000210202 [1,0,0,0,0,0|0,0,2]=3 297 B5R0.3 C#CC(=O)CF 1458a_100000211873_100015361967 [1,0,0,0,0,0|1,0,2]=4 298 B5R0.3 C=CC(=O)CC 1458a_100000185746_100000210202 [1,0,0,0,0,0|0,0,0]=1 299 B5R0.3 C=CC(=O)CF 1458a_100000185746_100015361967 [1,0,0,0,0,0|1,0,0]=2 300 B5R0.3 C=CC(=O)NC 1626a_100102657272_100000185746 [1,0,0,0,0,0|1,0,0]=2 301 B5R0.3 C=CC(=O)NC 240690a_100102657272_200121576911 [1,0,0,0,0,0|1,0,0]=2 302 B5R0.3 C=CC(C)OC 34a_100000695699_200000210301 [1,0,0,0,0,0|2,0,1]=4 303 B5R0.3 C=CC(C)O[13CH3] 34a_100000695699_200025704644 [1,0,0,0,0,0|2,0,1]=4 304 B5R0.3 C=CC(C)SC 62a_100011215867_200000210301 [1,0,0,0,0,0|2,0,1]=4 305 B5R0.3 C=CC(C)S[13CH3] 62a_100011215867_200025704644 [1,0,0,0,0,0|2,0,1]=4 306 B5R0.3 CCC(=O)CC 1458a_100000210414_100000210202 [1,0,0,0,0,0|0,0,1]=2 307 B5R0.3 CCC(=O)CF 1458a_100000210414_100015361967 [1,0,0,0,0,0|1,0,1]=3 308 B5R0.3 CCC(=O)CO 1458a_100000210174_100000210202 [1,0,0,0,0,0|1,0,1]=3 309 B5R0.3 CCC(=O)NC 11a_106832991635_100000210414 [1,0,0,0,0,0|1,0,0]=2 310 B5R0.3 CCC(=O)NC 1626a_100102657272_100000210414 [1,0,0,0,0,0|1,0,0]=2 311 B5R0.3 CCC(=O)NC 240690a_100102657272_100000210414 [1,0,0,0,0,0|1,0,0]=2 312 B5R0.3 CCC(=O)NC 527a_100102657272_100000210414 [1,0,0,0,0,0|1,0,0]=2 313 B5R0.3 CCC(C)NC 2230a_100000209981_200000210301 [1,0,0,0,0,0|2,0,1]=4 314 B5R0.3 CCC(C)NC 2230a_106832991635_100000758301 [1,0,0,0,0,0|2,0,1]=4 315 B5R0.3 CCC(C)NC 34a_100102657272_100011215416 [1,0,0,0,0,0|2,0,1]=4 316 B5R0.3 CCC(C)NC 7a_106832991635_100000758301 [1,0,0,0,0,0|2,0,1]=4 317 B5R0.3 CCC(C)N[13CH3] 2230a_100000209981_200025704644 [1,0,0,0,0,0|2,0,1]=4 318 B5R0.3 CCC(C)OC 34a_100138415774_100011215416 [1,0,0,0,0,0|2,0,1]=4 319 B5R0.3 CCC(C)OC 7a_100000210228_200000210301 [1,0,0,0,0,0|2,0,1]=4 320 B5R0.3 CCC(C)O[13CH3] 7a_100000210228_200025704644 [1,0,0,0,0,0|2,0,1]=4 321 B5R0.3 CCC(C)SC 62a_100000758301_200000210301 [1,0,0,0,0,0|2,0,1]=4 322 B5R0.3 CCC(C)SC 62a_200000210301_100000758301 [1,0,0,0,0,0|2,0,1]=4 323 B5R0.3 CCC(C)S[13CH3] 62a_100000758301_200025704644 [1,0,0,0,0,0|2,0,1]=4 324 B5R0.3 CCC(C)S[13CH3] 62a_200025704644_100000758301 [1,0,0,0,0,0|2,0,1]=4 325 B5R0.3 CCN(C)CC 2230a_100000225621_100000210202 [1,0,0,0,0,0|2,0,1]=4 326 B5R0.3 CCN(C)CC 2230a_100000724800_200000210301 [1,0,0,0,0,0|2,0,1]=4 327 B5R0.3 CCN(C)CC 269956a_100000042499_200000210301 [1,0,0,0,0,0|2,0,1]=4 328 B5R0.3 CCN(C)CC 269982a_100000225621_100000204670 [1,0,0,0,0,0|2,0,1]=4 329 B5R0.3 CCN(C)CC 269982a_100000724800_200000210301 [1,0,0,0,0,0|2,0,1]=4 330 B5R0.3 CCN([13CH3])CC 2230a_100000724800_200025704644 [1,0,0,0,0,0|2,0,1]=4 331 B5R0.3 CCN([13CH3])CC 269956a_100000042499_200025704644 [1,0,0,0,0,0|2,0,1]=4 332 B5R0.3 CCN([13CH3])CC 269982a_100000724800_200025704644 [1,0,0,0,0,0|2,0,1]=4 333 B5R0.3 CNC(=O)CO 240690a_100102657272_100000210174 [1,0,0,0,0,0|2,0,0]=3 334 B5R0.3 CNC(=O)CO 527a_100102657272_100000210174 [1,0,0,0,0,0|2,0,0]=3 335 B5R0.3 CNC(=O)NC 2708a_100102657272_106832991635 [1,0,0,0,0,0|2,0,0]=3 336 B5R0.3 CNC(=O)NC 273464a_100102657272_100102657272 [1,0,0,0,0,0|2,0,0]=3 337 B5R0.3 CNC(=O)NC 512a_106832991638_100102657272 [1,0,0,0,0,0|2,0,0]=3 338 B5R0.3 O=C(CO)CF 1458a_100000210174_100015361967 [1,0,0,0,0,0|2,0,1]=4 339 B7R0.2 C#CC(=O)CC(=C)C 1458a_100000211873_100000748629 [0,1,0,0,0,0|0,0,3]=4 340 B7R0.2 C=C(C)CC(=O)CC 1458a_100000210414_100000748629 [0,1,0,0,0,0|0,0,1]=2 341 B7R0.2 C=C(C)CC(=O)CO 1458a_100000210174_100000748629 [0,1,0,0,0,0|1,0,1]=3 342 B7R0.2 C=C(C)CN(C)CC 2230a_100000211296_200000210301 [0,1,0,0,0,0|2,0,1]=4 343 B7R0.2 C=C(C)CN(C)CC 2230a_100000225621_100000748629 [0,1,0,0,0,0|2,0,1]=4 344 B7R0.2 C=C(C)CN(C)CC 2230a_100000225649_100000210202 [0,1,0,0,0,0|2,0,1]=4 345 B7R0.2 C=C(C)CN(C)CC 269982a_100000211296_200000210301 [0,1,0,0,0,0|2,0,1]=4 346 B7R0.2 C=C(C)CN(C)CC 269982a_100000225621_100000748629 [0,1,0,0,0,0|2,0,1]=4 347 B7R0.2 C=C(C)CN(C)CC 269982a_100000225649_100000204670 [0,1,0,0,0,0|2,0,1]=4 348 B7R0.2 C=C(C)CN([13CH3])CC 2230a_100000211296_200025704644 [0,1,0,0,0,0|2,0,1]=4 349 B7R0.2 C=C(C)CN([13CH3])CC 269982a_100000211296_200025704644 [0,1,0,0,0,0|2,0,1]=4 350 B7R0.2 C=C(F)CC(=O)CC 1458a_100000210414_100009893438 [0,1,0,0,0,0|0,0,2]=3 351 B7R0.2 C=C(F)CC(=O)CO 1458a_100000210174_100009893438 [0,1,0,0,0,0|1,0,2]=4 352 B7R0.2 C=CC(=O)CC(=C)C 1458a_100000185746_100000748629 [0,1,0,0,0,0|0,0,3]=4 353 B7R0.2 CC(=CC(=O)CF)C 1458a_100000211388_100015361967 [0,1,0,0,0,0|1,0,0]=2 354 B7R0.2 CC(=CC(=O)CF)Cl 1458a_200042562850_100015361967 [0,1,0,0,0,0|1,0,0]=2 355 B7R0.2 CC(=CC(=O)CF)I 1458a_100025716642_100015361967 [0,1,0,0,0,0|1,0,0]=2 356 B7R0.2 CC(=CC(C)O[13CH3])C 34a_100000717055_200025704644 [0,1,0,0,0,0|2,0,1]=4 357 B7R0.2 CC(C)CC(=O)CF 1458a_100000210554_100015361967 [0,1,0,0,0,0|1,0,2]=4 358 B7R0.2 CC(C)CC(=O)CO 1458a_100000210174_100000210624 [0,1,0,0,0,0|1,0,2]=4 359 B7R0.2 CC(C)NC(=O)CO 240690a_100138425928_100000210174 [0,1,0,0,0,0|2,0,1]=4 360 B7R0.2 CC(C)NC(=O)CO 527a_100138425928_100000210174 [0,1,0,0,0,0|2,0,1]=4 361 B7R0.2 CC(O)CC(=O)CO 1458a_100000210174_100011218427 [0,1,0,0,0,0|1,0,2]=4 362 B7R0.2 CCC(=CC(=O)C)C 1458a_100020758463_200000210301 [0,1,0,0,0,0|1,0,0]=2 363 B7R0.2 CCC(=CC(=O)[13CH3])C 1458a_100020758463_200025704644 [0,1,0,0,0,0|1,0,0]=2 364 B7R0.2 CCC(=O)C=C(C)C 1458a_100000211388_100000210202 [0,1,0,0,0,0|0,0,0]=1 365 B7R0.2 CCC(=O)C=C(C)Cl 1458a_200042562850_100000210202 [0,1,0,0,0,0|0,0,0]=1 366 B7R0.2 CCC(=O)C=C(C)I 1458a_100025716642_100000210202 [0,1,0,0,0,0|0,0,0]=1 367 B7R0.2 CCC(=O)C=C(Cl)Cl 1458a_100000137448_100000210202 [0,1,0,0,0,0|1,0,0]=2 368 B7R0.2 CCC(=O)CC(=O)C 1458a_100000070787_100000747405 [0,1,0,0,0,0|0,0,1]=2 369 B7R0.2 CCC(=O)CC(=O)N 1458a_100000210414_100000187820 [0,1,0,0,0,0|1,0,1]=3 370 B7R0.2 CCC(=O)CC(=O)N 1458a_100134613110_100000210202 [0,1,0,0,0,0|1,0,1]=3 371 B7R0.2 CCC(=O)CC(=O)[O-] 1458a_100000210414_100020667443 [0,1,0,0,0,0|1,0,1]=3 372 B7R0.2 CCC(=O)CC(C)C 1458a_100000210414_100000210624 [0,1,0,0,0,0|0,0,2]=3 373 B7R0.2 CCC(=O)CC(C)C 1458a_100000210554_100000210202 [0,1,0,0,0,0|0,0,2]=3 374 B7R0.2 CCC(=O)CC(C)O 1458a_100000210414_100011218427 [0,1,0,0,0,0|0,0,2]=3 375 B7R0.2 CCC(=O)CC(F)F 1458a_100000210414_100011934356 [0,1,0,0,0,0|1,0,2]=4 376 B7R0.2 CCC(=O)CN(C)C 1458a_100000750896_100000210202 [0,1,0,0,0,0|1,0,1]=3 377 B7R0.2 CCC(=O)CN(C)C 269982a_100102631434_100000747405 [0,1,0,0,0,0|1,0,1]=3 378 B7R0.2 CCC(=O)C[C@@H](C)O 1458a_100011933948_100000210202 [0,1,0,0,0,0|0,0,2]=3 379 B7R0.2 CCC(=O)C[N+](=O)[O-] 1458a_100000210414_100000761209 [0,1,0,0,0,0|2,0,1]=4 380 B7R0.2 CCC(=O)C[S+](C)C 1458a_200159257847_100000210202 [0,1,0,0,0,0|1,0,1]=3 381 B7R0.2 CCC(=O)NC(C)C 11a_100138425928_100000210414 [0,1,0,0,0,0|1,0,1]=3 382 B7R0.2 CCC(=O)NC(C)C 1626a_100138425928_100000210414 [0,1,0,0,0,0|1,0,1]=3 383 B7R0.2 CCC(=O)NC(C)C 240690a_100138425928_100000210414 [0,1,0,0,0,0|1,0,1]=3 384 B7R0.2 CCC(=O)NC(C)C 527a_100138425928_100000210414 [0,1,0,0,0,0|1,0,1]=3 385 B7R0.2 CCC(C)CC(=O)C 1458a_100000070787_100000748023 [0,1,0,0,0,0|1,0,2]=4 386 B7R0.2 CCC(C)CC(=O)C 1458a_100000708755_200000210301 [0,1,0,0,0,0|1,0,2]=4 387 B7R0.2 CCC(C)CC(=O)[13CH3] 1458a_100000708755_200025704644 [0,1,0,0,0,0|1,0,2]=4 388 B7R0.2 CCC(C)NC(=O)C 11a_100000209981_100015343762 [0,1,0,0,0,0|2,0,1]=4 389 B7R0.2 CCC(C)NC(=O)C 1626a_100000209981_100015343762 [0,1,0,0,0,0|2,0,1]=4 390 B7R0.2 CCC(C)NC(=O)C 240690a_100000209981_100015343762 [0,1,0,0,0,0|2,0,1]=4 391 B7R0.2 CCC(C)NC(=O)C 527a_100000209981_100103153847 [0,1,0,0,0,0|2,0,1]=4 392 B7R0.2 CCC(O)CC(=O)C 1458a_100000070787_100011218378 [0,1,0,0,0,0|0,0,3]=4 393 B7R0.2 CCC(O)CC(=O)C 1458a_100011667805_200000210301 [0,1,0,0,0,0|0,0,3]=4 394 B7R0.2 CCC(O)CC(=O)[13CH3] 1458a_100011667805_200025704644 [0,1,0,0,0,0|0,0,3]=4 395 B7R0.2 CCN(C)CC(=O)C 1458a_100116209913_200000210301 [0,1,0,0,0,0|2,0,1]=4 396 B7R0.2 CCN(C)CC(=O)[13CH3] 1458a_100116209913_200025704644 [0,1,0,0,0,0|2,0,1]=4 397 B7R0.2 CC[C@H](C)CC(=O)C 1458a_100000070787_100009816398 [0,1,0,0,0,0|1,0,2]=4 398 B7R0.2 CN(C)CC(=O)CF 1458a_100000750896_100015361967 [0,1,0,0,0,0|2,0,1]=4 399 B7R0.2 CNC(=O)C=C(C)C 11a_106832991635_100000211388 [0,1,0,0,0,0|1,0,0]=2 400 B7R0.2 CNC(=O)C=C(C)C 1626a_100102657272_100000211388 [0,1,0,0,0,0|1,0,0]=2 401 B7R0.2 CNC(=O)C=C(C)C 240690a_100102657272_100000211388 [0,1,0,0,0,0|1,0,0]=2 402 B7R0.2 CNC(=O)C=C(C)Cl 11a_106832991635_200042562850 [0,1,0,0,0,0|1,0,0]=2 403 B7R0.2 CNC(=O)C=C(C)Cl 1626a_100102657272_200042562850 [0,1,0,0,0,0|1,0,0]=2 404 B7R0.2 CNC(=O)C=C(C)Cl 240690a_100102657272_200042562850 [0,1,0,0,0,0|1,0,0]=2 405 B7R0.2 CNC(=O)C=C(C)I 11a_106832991635_100025716642 [0,1,0,0,0,0|1,0,0]=2 406 B7R0.2 CNC(=O)C=C(C)I 1626a_100102657272_100025716642 [0,1,0,0,0,0|1,0,0]=2 407 B7R0.2 CNC(=O)C=C(Cl)Cl 1626a_100102657272_100000137448 [0,1,0,0,0,0|2,0,0]=3 408 B7R0.2 CNC(=O)C=C(Cl)Cl 240690a_100102657272_100000137448 [0,1,0,0,0,0|2,0,0]=3 409 B7R0.2 CNC(=O)CC(=O)C 1458a_100000070787_100000183359 [0,1,0,0,0,0|1,0,1]=3 410 B7R0.2 CNC(=O)CC(=O)N 240690a_100102657272_100134613110 [0,1,0,0,0,0|2,0,1]=4 411 B7R0.2 CNC(=O)CC(=O)N 527a_100102657272_100134613110 [0,1,0,0,0,0|2,0,1]=4 412 B7R0.2 CNC(=O)CC(C)C 11a_106832991635_100000210554 [0,1,0,0,0,0|1,0,2]=4 413 B7R0.2 CNC(=O)CC(C)C 1626a_100102657272_100000210554 [0,1,0,0,0,0|1,0,2]=4 414 B7R0.2 CNC(=O)CC(C)C 240690a_100102657272_100000210554 [0,1,0,0,0,0|1,0,2]=4 415 B7R0.2 CNC(=O)CC(C)C 527a_100102657272_100000210554 [0,1,0,0,0,0|1,0,2]=4 416 B7R0.2 CNC(=O)CN(C)C 11a_106832991635_100000750896 [0,1,0,0,0,0|2,0,1]=4 417 B7R0.2 CNC(=O)CN(C)C 2230a_100000189611_200000210301 [0,1,0,0,0,0|2,0,1]=4 418 B7R0.2 CNC(=O)CN(C)C 2230a_100102631434_100000183359 [0,1,0,0,0,0|2,0,1]=4 419 B7R0.2 CNC(=O)CN(C)C 240690a_100102657272_100000750896 [0,1,0,0,0,0|2,0,1]=4 420 B7R0.2 CNC(=O)CN(C)C 269982a_100102631434_100000183359 [0,1,0,0,0,0|2,0,1]=4 421 B7R0.2 CNC(=O)CN(C)C 527a_100102657272_100000750896 [0,1,0,0,0,0|2,0,1]=4 422 B7R0.2 CNC(=O)CN(C)[13CH3] 2230a_100000189611_200025704644 [0,1,0,0,0,0|2,0,1]=4 423 B7R0.2 CNC(=O)C[C@@H](C)O 240690a_100102657272_100011933948 [0,1,0,0,0,0|1,0,2]=4 424 B7R0.2 CNC(=O)C[S+](C)C 11a_106832991635_200159257847 [0,1,0,0,0,0|2,0,1]=4 425 B7R0.2 CNC(=O)C[S+](C)C 1626a_100102657272_200159257847 [0,1,0,0,0,0|2,0,1]=4 426 B7R0.2 CNC(=O)C[S+](C)C 240690a_100102657272_200159257847 [0,1,0,0,0,0|2,0,1]=4 427 B7R0.2 CNC(=O)C[S+](C)C 527a_100102657272_200159257847 [0,1,0,0,0,0|2,0,1]=4 428 B7R0.2 CNC(=O)NC(C)C 2708a_100102657272_100138425928 [0,1,0,0,0,0|2,0,1]=4 429 B7R0.2 CNC(=O)NC(C)C 2708a_100138425928_106832991635 [0,1,0,0,0,0|2,0,1]=4 430 B7R0.2 CNC(=O)NC(C)C 273464a_100138425928_100102657272 [0,1,0,0,0,0|2,0,1]=4 431 B7R0.2 CNC(=O)NC(C)C 512a_100138425928_100102657272 [0,1,0,0,0,0|2,0,1]=4 432 B7R0.2 CNC(=O)NC(C)C 512a_106832991638_100138425928 [0,1,0,0,0,0|2,0,1]=4 433 B7R0.2 COC(=O)CC(=O)C 1458a_100000070787_100000747449 [0,1,0,0,0,0|1,0,1]=3 434 B7R0.2 COC(=O)CC(=O)C 1458a_100000211351_200000210301 [0,1,0,0,0,0|1,0,1]=3 435 B7R0.2 COC(=O)CC(=O)[13CH3] 1458a_100000211351_200025704644 [0,1,0,0,0,0|1,0,1]=3 436 B7R0.2 COC(=O)CN(C)C 2230a_100000198492_200000210301 [0,1,0,0,0,0|2,0,1]=4 437 B7R0.2 COC(=O)CN(C)C 2230a_100102631434_100000747449 [0,1,0,0,0,0|2,0,1]=4 438 B7R0.2 COC(=O)CN(C)C 269982a_100102631434_100000747449 [0,1,0,0,0,0|2,0,1]=4 439 B7R0.2 COC(=O)CN(C)[13CH3] 2230a_100000198492_200025704644 [0,1,0,0,0,0|2,0,1]=4 440 B7R0.2 COC(C)C=C(C)C 34a_100000717055_200000210301 [0,1,0,0,0,0|2,0,1]=4 441 B7R0.2 C[C@@H](O)CC(=O)CF 1458a_100011933948_100015361967 [0,1,0,0,0,0|1,0,2]=4 442 B7R0.2 C[S+](C)CC(=O)CF 1458a_200159257847_100015361967 [0,1,0,0,0,0|2,0,1]=4 443 B7R0.2 NC(=O)CC(=O)CF 1458a_100134613110_100015361967 [0,1,0,0,0,0|2,0,1]=4 444 B7R0.2 NC(=O)CC(=O)CO 1458a_100000210174_100000187820 [0,1,0,0,0,0|2,0,1]=4 445 B7R0.2 O=C(C=C(Cl)Cl)CF 1458a_100000137448_100015361967 [0,1,0,0,0,0|2,0,0]=3 446 B7R0.2 O=C([O-])CC(=O)CO 1458a_100000210174_100020667443 [0,1,0,0,0,0|2,0,1]=4 447 B7R0.3 C#CC(=O)C/C=C/C 1458a_100000211873_100102629194 [0,1,0,0,0,0|0,0,2]=3 448 B7R0.3 C#CC(=O)CC=CC 1458a_100000211873_100000070051 [0,1,0,0,0,0|0,0,2]=3 449 B7R0.3 C#CCCC(=O)CC 1458a_100000210414_100000753159 [0,1,0,0,0,0|0,0,3]=4 450 B7R0.3 C#CCCC(=O)CC 1458a_100000692101_100000210202 [0,1,0,0,0,0|0,0,3]=4 451 B7R0.3 C#CCNC(=O)CC 11a_100000212058_100000210414 [0,1,0,0,0,0|0,0,3]=4 452 B7R0.3 C#CCNC(=O)CC 1626a_100000212058_100000210414 [0,1,0,0,0,0|0,0,3]=4 453 B7R0.3 C#CCNC(=O)CC 240690a_100000212058_100000210414 [0,1,0,0,0,0|0,0,3]=4 454 B7R0.3 C#CCNC(=O)CC 527a_100000212058_100000210414 [0,1,0,0,0,0|0,0,3]=4 455 B7R0.3 C/C=C/CC(=O)CC 1458a_100000210414_100102629194 [0,1,0,0,0,0|0,0,0]=1 456 B7R0.3 C/C=C/CC(=O)CO 1458a_100000210174_100102629194 [0,1,0,0,0,0|1,0,0]=2 457 B7R0.3 C/C=C/CN(C)CC 269982a_100000225621_100102629194 [0,1,0,0,0,0|2,0,0]=3 458 B7R0.3 C=CC(=O)C/C=C/C 1458a_100000185746_100102629194 [0,1,0,0,0,0|0,0,2]=3 459 B7R0.3 C=CC(=O)CC=CC 1458a_100000185746_100000070051 [0,1,0,0,0,0|0,0,2]=3 460 B7R0.3 C=CC=CC(=O)CC 1458a_100016291481_100000210202 [0,1,0,0,0,0|0,0,1]=2 461 B7R0.3 C=CC=CC(=O)CF 1458a_100016291481_100015361967 [0,1,0,0,0,0|1,0,1]=3 462 B7R0.3 C=CC=CC(=O)NC 1626a_100102657272_100016291481 [0,1,0,0,0,0|1,0,1]=3 463 B7R0.3 C=CCCC(=O)CC 1458a_100000210414_100000754431 [0,1,0,0,0,0|0,0,2]=3 464 B7R0.3 C=CCCC(=O)CC 1458a_100000749702_100000210202 [0,1,0,0,0,0|0,0,2]=3 465 B7R0.3 C=CCCC(=O)CF 1458a_100000749702_100015361967 [0,1,0,0,0,0|1,0,2]=4 466 B7R0.3 C=CCCC(=O)CO 1458a_100000210174_100000754431 [0,1,0,0,0,0|1,0,2]=4 467 B7R0.3 C=CCCC(=O)NC 11a_106832991635_100000749702 [0,1,0,0,0,0|1,0,2]=4 468 B7R0.3 C=CCCC(=O)NC 1626a_100102657272_100000749702 [0,1,0,0,0,0|1,0,2]=4 469 B7R0.3 C=CCCC(=O)NC 240690a_100102657272_100000749702 [0,1,0,0,0,0|1,0,2]=4 470 B7R0.3 C=CCCC(=O)NC 527a_100102657272_100000749702 [0,1,0,0,0,0|1,0,2]=4 471 B7R0.3 C=CCNC(=O)CC 1626a_100020586998_100000210414 [0,1,0,0,0,0|0,0,2]=3 472 B7R0.3 C=CCNC(=O)CC 240690a_100020586998_100000210414 [0,1,0,0,0,0|0,0,2]=3 473 B7R0.3 C=CCNC(=O)CC 527a_100020586998_100000210414 [0,1,0,0,0,0|0,0,2]=3 474 B7R0.3 C=CCNC(=O)CO 240690a_100020586998_100000210174 [0,1,0,0,0,0|1,0,2]=4 475 B7R0.3 C=CCNC(=O)CO 527a_100020586998_100000210174 [0,1,0,0,0,0|1,0,2]=4 476 B7R0.3 C=CCNC(=O)NC 2708a_100102657272_100020586998 [0,1,0,0,0,0|1,0,2]=4 477 B7R0.3 C=CCNC(=O)NC 273464a_100020586998_100102657272 [0,1,0,0,0,0|1,0,2]=4 478 B7R0.3 C=CCNC(=O)NC 273464a_100102657272_100020586998 [0,1,0,0,0,0|1,0,2]=4 479 B7R0.3 C=CCNC(=O)NC 512a_100020586998_100102657272 [0,1,0,0,0,0|1,0,2]=4 480 B7R0.3 C=CCNC(=O)NC 512a_106832991638_100020586998 [0,1,0,0,0,0|1,0,2]=4 481 B7R0.3 CC#CCC(=O)CC 1458a_100000210414_100000748600 [0,1,0,0,0,0|0,0,2]=3 482 B7R0.3 CC#CCC(=O)CO 1458a_100000210174_100000748600 [0,1,0,0,0,0|1,0,2]=4 483 B7R0.3 CC=CCC(=O)CC 1458a_100000210414_100000070051 [0,1,0,0,0,0|0,0,0]=1 484 B7R0.3 CC=CCC(=O)CC 1458a_100121576822_100000210202 [0,1,0,0,0,0|0,0,0]=1 485 B7R0.3 CC=CCC(=O)CF 1458a_100121576822_100015361967 [0,1,0,0,0,0|1,0,0]=2 486 B7R0.3 CC=CCC(=O)CO 1458a_100000210174_100000070051 [0,1,0,0,0,0|1,0,0]=2 487 B7R0.3 CC=CCC(=O)NC 11a_106832991635_100121576822 [0,1,0,0,0,0|1,0,0]=2 488 B7R0.3 CC=CCC(=O)NC 1626a_100102657272_100121576822 [0,1,0,0,0,0|1,0,0]=2 489 B7R0.3 CC=CCC(=O)NC 240690a_100102657272_100121576822 [0,1,0,0,0,0|1,0,0]=2 490 B7R0.3 CC=CCC(=O)NC 527a_100102657272_100121576822 [0,1,0,0,0,0|1,0,0]=2 491 B7R0.3 CC=CCN(C)CC 2230a_100000225621_100000070051 [0,1,0,0,0,0|2,0,0]=3 492 B7R0.3 CC=NNC(=O)CC 4a_100000183195_200000210099 [0,1,0,0,0,0|1,0,0]=2 493 B7R0.3 CC=NNC(C)CC 4a_100000718999_200000210099 [0,1,0,0,0,0|2,0,1]=4 494 B7R0.3 CCC#CC(=O)CC 1458a_100011827653_100000210202 [0,1,0,0,0,0|0,0,2]=3 495 B7R0.3 CCC#CC(=O)CF 1458a_100011827653_100015361967 [0,1,0,0,0,0|1,0,2]=4 496 B7R0.3 CCC(=O)C#CCO 1458a_100000049017_100000210202 [0,1,0,0,0,0|0,0,2]=3 497 B7R0.3 CCC(=O)C=COC 1458a_100016268678_100000210202 [0,1,0,0,0,0|0,0,0]=1 498 B7R0.3 CCC(=O)CCC#N 1458a_100000210414_100011215226 [0,1,0,0,0,0|0,0,3]=4 499 B7R0.3 CCC(=O)CCC#N 1458a_100011934036_100000210202 [0,1,0,0,0,0|0,0,3]=4 500 B7R0.3 CCC(=O)CCCF 1458a_100000210414_100011934791 [0,1,0,0,0,0|0,0,2]=3 501 B7R0.3 CCC(=O)CCCO 1458a_100000210414_100011215043 [0,1,0,0,0,0|0,0,2]=3 502 B7R0.3 CCC(=O)CCOC 1458a_100000210414_100000233755 [0,1,0,0,0,0|0,0,2]=3 503 B7R0.3 CCC(=O)CCOC 1458a_100000749529_100000210202 [0,1,0,0,0,0|0,0,2]=3 504 B7R0.3 CCC(=O)CCSC 1458a_100000174002_100000210202 [0,1,0,0,0,0|0,0,2]=3 505 B7R0.3 CCC(=O)CCSC 1458a_100000210414_100000751147 [0,1,0,0,0,0|0,0,2]=3 506 B7R0.3 CCC(=O)COCF 34a_100000725409_100015361967 [0,1,0,0,0,0|1,0,1]=3 507 B7R0.3 CCC(=O)CSCF 62a_100000747405_100015361967 [0,1,0,0,0,0|1,0,1]=3 508 B7R0.3 CCC(=O)CSCF 62a_100015361967_100000747405 [0,1,0,0,0,0|1,0,1]=3 509 B7R0.3 CCC(=O)NCC#N 1626a_100000734998_100000210414 [0,1,0,0,0,0|1,0,2]=4 510 B7R0.3 CCC(=O)NCC#N 527a_100000734998_100000210414 [0,1,0,0,0,0|1,0,2]=4 511 B7R0.3 CCC(=O)NCCF 11a_100000724931_100000210414 [0,1,0,0,0,0|1,0,1]=3 512 B7R0.3 CCC(=O)NCCF 1626a_100000724931_100000210414 [0,1,0,0,0,0|1,0,1]=3 513 B7R0.3 CCC(=O)NCCF 240690a_100000724931_100000210414 [0,1,0,0,0,0|1,0,1]=3 514 B7R0.3 CCC(=O)NCCF 527a_100000724931_100000210414 [0,1,0,0,0,0|1,0,1]=3 515 B7R0.3 CCC(=O)NCCO 240690a_100000210304_100000210414 [0,1,0,0,0,0|1,0,1]=3 516 B7R0.3 CCC(=O)NCCO 527a_100000210304_100000210414 [0,1,0,0,0,0|1,0,1]=3 517 B7R0.3 CCC=CC(=O)CC 1458a_100000212282_100000210202 [0,1,0,0,0,0|0,0,0]=1 518 B7R0.3 CCC=CC(=O)CF 1458a_100000212282_100015361967 [0,1,0,0,0,0|1,0,0]=2 519 B7R0.3 CCC=CC(=O)NC 11a_106832991635_100000212282 [0,1,0,0,0,0|1,0,0]=2 520 B7R0.3 CCC=CC(=O)NC 1626a_100102657272_100000212282 [0,1,0,0,0,0|1,0,0]=2 521 B7R0.3 CCC=CC(=O)NC 240690a_100102657272_100000212282 [0,1,0,0,0,0|1,0,0]=2 522 B7R0.3 CCCCC(=O)CC 1458a_100000210183_100000210202 [0,1,0,0,0,0|0,0,2]=3 523 B7R0.3 CCCCC(=O)CC 1458a_100000210414_100000210211 [0,1,0,0,0,0|0,0,2]=3 524 B7R0.3 CCCCC(=O)CF 1458a_100000210183_100015361967 [0,1,0,0,0,0|1,0,2]=4 525 B7R0.3 CCCCC(=O)CO 1458a_100000210174_100000210211 [0,1,0,0,0,0|1,0,2]=4 526 B7R0.3 CCCCC(=O)NC 11a_106832991635_100000210183 [0,1,0,0,0,0|1,0,2]=4 527 B7R0.3 CCCCC(=O)NC 1626a_100102657272_100000210183 [0,1,0,0,0,0|1,0,2]=4 528 B7R0.3 CCCCC(=O)NC 240690a_100102657272_100000210183 [0,1,0,0,0,0|1,0,2]=4 529 B7R0.3 CCCCC(=O)NC 527a_100102657272_100000210183 [0,1,0,0,0,0|1,0,2]=4 530 B7R0.3 CCCNC(=O)CC 11a_100020643023_100000210414 [0,1,0,0,0,0|0,0,2]=3 531 B7R0.3 CCCNC(=O)CC 1626a_100020643023_100000210414 [0,1,0,0,0,0|0,0,2]=3 532 B7R0.3 CCCNC(=O)CC 240690a_100020643023_100000210414 [0,1,0,0,0,0|0,0,2]=3 533 B7R0.3 CCCNC(=O)CC 527a_100020643023_100000210414 [0,1,0,0,0,0|0,0,2]=3 534 B7R0.3 CCCNC(=O)CO 240690a_100020643023_100000210174 [0,1,0,0,0,0|1,0,2]=4 535 B7R0.3 CCCNC(=O)CO 527a_100020643023_100000210174 [0,1,0,0,0,0|1,0,2]=4 536 B7R0.3 CCCNC(=O)NC 2708a_100020643023_106832991635 [0,1,0,0,0,0|1,0,2]=4 537 B7R0.3 CCCNC(=O)NC 2708a_100102657272_100020643023 [0,1,0,0,0,0|1,0,2]=4 538 B7R0.3 CCCNC(=O)NC 273464a_100020643023_100102657272 [0,1,0,0,0,0|1,0,2]=4 539 B7R0.3 CCCNC(=O)NC 273464a_100102657272_100020643023 [0,1,0,0,0,0|1,0,2]=4 540 B7R0.3 CCCNC(=O)NC 512a_100020643023_100102657272 [0,1,0,0,0,0|1,0,2]=4 541 B7R0.3 CCCNC(=O)NC 512a_106832991638_100020643023 [0,1,0,0,0,0|1,0,2]=4 542 B7R0.3 CCNCC(=O)NC 2230a_100000693194_100000210202 [0,1,0,0,0,0|1,0,2]=4 543 B7R0.3 CCNCC(=O)NC 2230a_100015525214_100000183359 [0,1,0,0,0,0|1,0,2]=4 544 B7R0.3 CCNCC(=O)OC 2230a_100015525214_100000747449 [0,1,0,0,0,0|1,0,2]=4 545 B7R0.3 CCNNC(=O)CC 22a_100000756455_100000210414 [0,1,0,0,0,0|1,0,1]=3 546 B7R0.3 CCNNC(=O)CO 22a_100000756455_100000210174 [0,1,0,0,0,0|2,0,1]=4 547 B7R0.3 CCNNC(=O)NC 273464a_100102657272_100000756455 [0,1,0,0,0,0|2,0,1]=4 548 B7R0.3 CCNNC(=O)NC 512a_100000756455_100102657272 [0,1,0,0,0,0|2,0,1]=4 549 B7R0.3 CCNNC(=O)NC 512a_106832991638_100000756455 [0,1,0,0,0,0|2,0,1]=4 550 B7R0.3 CCOCC(=O)CC 1458a_100000211967_100000210202 [0,1,0,0,0,0|0,0,2]=3 551 B7R0.3 CCOCC(=O)CC 34a_100000725409_100000210202 [0,1,0,0,0,0|0,0,2]=3 552 B7R0.3 CCOCC(=O)CF 1458a_100000211967_100015361967 [0,1,0,0,0,0|1,0,2]=4 553 B7R0.3 CCOCC(=O)NC 11a_106832991635_100000211967 [0,1,0,0,0,0|1,0,2]=4 554 B7R0.3 CCOCC(=O)NC 1626a_100102657272_100000211967 [0,1,0,0,0,0|1,0,2]=4 555 B7R0.3 CCOCC(=O)NC 240690a_100102657272_100000211967 [0,1,0,0,0,0|1,0,2]=4 556 B7R0.3 CCOCC(=O)NC 34a_100000750040_100000210202 [0,1,0,0,0,0|1,0,2]=4 557 B7R0.3 CCOCC(=O)NC 34a_100121572206_100000183359 [0,1,0,0,0,0|1,0,2]=4 558 B7R0.3 CCOCC(=O)NC 527a_100102657272_100000211967 [0,1,0,0,0,0|1,0,2]=4 559 B7R0.3 CCOCC(=O)OC 34a_100121572206_100000747449 [0,1,0,0,0,0|1,0,2]=4 560 B7R0.3 CCSCC(=O)CC 1458a_100000230394_100000210202 [0,1,0,0,0,0|0,0,2]=3 561 B7R0.3 CCSCC(=O)CC 62a_100000210202_100000747405 [0,1,0,0,0,0|0,0,2]=3 562 B7R0.3 CCSCC(=O)CC 62a_100000747405_100000210202 [0,1,0,0,0,0|0,0,2]=3 563 B7R0.3 CCSCC(=O)CF 1458a_100000230394_100015361967 [0,1,0,0,0,0|1,0,2]=4 564 B7R0.3 CCSCC(=O)NC 11a_106832991635_100000230394 [0,1,0,0,0,0|1,0,2]=4 565 B7R0.3 CCSCC(=O)NC 1626a_100102657272_100000230394 [0,1,0,0,0,0|1,0,2]=4 566 B7R0.3 CCSCC(=O)NC 240690a_100102657272_100000230394 [0,1,0,0,0,0|1,0,2]=4 567 B7R0.3 CCSCC(=O)NC 527a_100102657272_100000230394 [0,1,0,0,0,0|1,0,2]=4 568 B7R0.3 CCSCC(=O)NC 62a_100000183359_100000210202 [0,1,0,0,0,0|1,0,2]=4 569 B7R0.3 CCSCC(=O)NC 62a_100000210202_100000183359 [0,1,0,0,0,0|1,0,2]=4 570 B7R0.3 CCSCC(=O)OC 62a_100000210202_100000747449 [0,1,0,0,0,0|1,0,2]=4 571 B7R0.3 CCSCC(=O)OC 62a_100000747449_100000210202 [0,1,0,0,0,0|1,0,2]=4 572 B7R0.3 CNC(=O)C=COC 1626a_100102657272_100016268678 [0,1,0,0,0,0|1,0,0]=2 573 B7R0.3 CNC(=O)C=COC 240690a_100102657272_100016268678 [0,1,0,0,0,0|1,0,0]=2 574 B7R0.3 CNC(=O)CCN[13CH3] 2230a_100000738227_200025704644 [0,1,0,0,0,0|1,0,2]=4 575 B7R0.3 CNC(=O)CCN[13CH3] 34a_100000738227_200025704644 [0,1,0,0,0,0|1,0,2]=4 576 B7R0.3 CNC(=O)CCOC 11a_106832991635_100000749529 [0,1,0,0,0,0|1,0,2]=4 577 B7R0.3 CNC(=O)CCOC 1626a_100102657272_100000749529 [0,1,0,0,0,0|1,0,2]=4 578 B7R0.3 CNC(=O)CCOC 240690a_100102657272_100000749529 [0,1,0,0,0,0|1,0,2]=4 579 B7R0.3 CNC(=O)CCOC 34a_100000754576_200000210301 [0,1,0,0,0,0|1,0,2]=4 580 B7R0.3 CNC(=O)CCOC 34a_100138415774_100012179268 [0,1,0,0,0,0|1,0,2]=4 581 B7R0.3 CNC(=O)CCOC 527a_100102657272_100000749529 [0,1,0,0,0,0|1,0,2]=4 582 B7R0.3 CNC(=O)CCO[13CH3] 34a_100000754576_200025704644 [0,1,0,0,0,0|1,0,2]=4 583 B7R0.3 CNC(=O)CCSC 11a_106832991635_100000174002 [0,1,0,0,0,0|1,0,2]=4 584 B7R0.3 CNC(=O)CCSC 1626a_100102657272_100000174002 [0,1,0,0,0,0|1,0,2]=4 585 B7R0.3 CNC(=O)CCSC 240690a_100102657272_100000174002 [0,1,0,0,0,0|1,0,2]=4 586 B7R0.3 CNC(=O)CCSC 527a_100102657272_100000174002 [0,1,0,0,0,0|1,0,2]=4 587 B7R0.3 CNC(=O)CCSC 62a_100000737683_200000210301 [0,1,0,0,0,0|1,0,2]=4 588 B7R0.3 CNC(=O)CCSC 62a_200000210301_100000737683 [0,1,0,0,0,0|1,0,2]=4 589 B7R0.3 CNC(=O)CCS[13CH3] 62a_100000737683_200025704644 [0,1,0,0,0,0|1,0,2]=4 590 B7R0.3 CNC(=O)CCS[13CH3] 62a_200025704644_100000737683 [0,1,0,0,0,0|1,0,2]=4 591 B7R0.3 CNC(=O)COCF 34a_100000750040_100015361967 [0,1,0,0,0,0|2,0,1]=4 592 B7R0.3 CNC(=O)CSCF 62a_100000183359_100015361967 [0,1,0,0,0,0|2,0,1]=4 593 B7R0.3 CNC(=O)CSCF 62a_100015361967_100000183359 [0,1,0,0,0,0|2,0,1]=4 594 B7R0.3 CNC(=O)NCCF 2708a_100102657272_100000724931 [0,1,0,0,0,0|2,0,1]=4 595 B7R0.3 CNC(=O)NCCF 273464a_100000724931_100102657272 [0,1,0,0,0,0|2,0,1]=4 596 B7R0.3 CNC(=O)NCCF 273464a_100102657272_100000724931 [0,1,0,0,0,0|2,0,1]=4 597 B7R0.3 CNC(=O)NCCF 512a_106832991638_100000724931 [0,1,0,0,0,0|2,0,1]=4 598 B7R0.3 CNC(=O)NCCO 2708a_100102657272_100000210304 [0,1,0,0,0,0|2,0,1]=4 599 B7R0.3 CNC(=O)NCCO 273464a_100000210304_100102657272 [0,1,0,0,0,0|2,0,1]=4 600 B7R0.3 CNC(=O)NCCO 273464a_100102657272_100000210304 [0,1,0,0,0,0|2,0,1]=4 601 B7R0.3 CNC(=O)NCCO 512a_106832991638_100000210304 [0,1,0,0,0,0|2,0,1]=4 602 B7R0.3 CNCCC(=O)NC 2230a_100000738227_200000210301 [0,1,0,0,0,0|1,0,2]=4 603 B7R0.3 CNCCC(=O)NC 2230a_106832991635_100000737683 [0,1,0,0,0,0|1,0,2]=4 604 B7R0.3 CNCCC(=O)NC 34a_100000738227_200000210301 [0,1,0,0,0,0|1,0,2]=4 605 B7R0.3 CNCCC(=O)NC 34a_100102657272_100012179268 [0,1,0,0,0,0|1,0,2]=4 606 B7R0.3 CNCCC(=O)NC 7a_106832991635_100000737683 [0,1,0,0,0,0|1,0,2]=4 607 B7R0.3 CNCCC(=O)OC 2230a_106832991635_100000204255 [0,1,0,0,0,0|1,0,2]=4 608 B7R0.3 CNCCC(=O)OC 34a_100102657272_100000742370 [0,1,0,0,0,0|1,0,2]=4 609 B7R0.3 CNCCC(=O)OC 7a_106832991635_100000204255 [0,1,0,0,0,0|1,0,2]=4 610 B7R0.3 COC(=O)CCSC 62a_100000204255_200000210301 [0,1,0,0,0,0|1,0,2]=4 611 B7R0.3 COC(=O)CCSC 62a_200000210301_100000204255 [0,1,0,0,0,0|1,0,2]=4 612 B7R0.3 COC(=O)CCS[13CH3] 62a_100000204255_200025704644 [0,1,0,0,0,0|1,0,2]=4 613 B7R0.3 COC(=O)CCS[13CH3] 62a_200025704644_100000204255 [0,1,0,0,0,0|1,0,2]=4 614 B7R0.3 COC(=O)CSCF 62a_100000747449_100015361967 [0,1,0,0,0,0|2,0,1]=4 615 B7R0.3 COC(=O)CSCF 62a_100015361967_100000747449 [0,1,0,0,0,0|2,0,1]=4 616 B7R0.3 COC(=O)OCSC 62a_200000210301_100000139417 [0,1,0,0,0,0|2,0,1]=4 617 B7R0.3 COC(=O)OCS[13CH3] 62a_200025704644_100000139417 [0,1,0,0,0,0|2,0,1]=4 618 B7R0.3 COC=CC(=O)CF 1458a_100016268678_100015361967 [0,1,0,0,0,0|1,0,0]=2 619 B7R0.3 COCCC(=O)CF 1458a_100000749529_100015361967 [0,1,0,0,0,0|1,0,2]=4 620 B7R0.3 COCCC(=O)CO 1458a_100000210174_100000233755 [0,1,0,0,0,0|1,0,2]=4 621 B7R0.3 COCCC(=O)OC 34a_100138415774_100000742370 [0,1,0,0,0,0|1,0,2]=4 622 B7R0.3 CSCCC(=O)CF 1458a_100000174002_100015361967 [0,1,0,0,0,0|1,0,2]=4 623 B7R0.3 CSCCC(=O)CO 1458a_100000210174_100000751147 [0,1,0,0,0,0|1,0,2]=4 624 B7R0.3 O=C(C#CCO)CF 1458a_100000049017_100015361967 [0,1,0,0,0,0|1,0,2]=4 625 B7R0.3 O=C(CO)CCCF 1458a_100000210174_100011934791 [0,1,0,0,0,0|1,0,2]=4 626 B7R0.3 O=C(CO)CCCO 1458a_100000210174_100011215043 [0,1,0,0,0,0|1,0,2]=4 627 B7R0.3 O=C(CO)NCCF 240690a_100000724931_100000210174 [0,1,0,0,0,0|2,0,1]=4 628 B7R0.3 O=C(CO)NCCF 527a_100000724931_100000210174 [0,1,0,0,0,0|2,0,1]=4 629 B7R0.3 O=C(CO)NCCO 240690a_100000210304_100000210174 [0,1,0,0,0,0|2,0,1]=4 630 B7R0.3 O=C(CO)NCCO 527a_100000210304_100000210174 [0,1,0,0,0,0|2,0,1]=4 631 B7R0.5 C#CCC(=O)C(C)C 1458a_100000210198_100000184674 [0,1,0,0,0,0|0,0,3]=4 632 B7R0.5 C#CCC(=O)C(C)C 1458a_100011220946_100000210206 [0,1,0,0,0,0|0,0,3]=4 633 B7R0.5 C#CCC(=O)C(C)F 1458a_100000062450_100000184674 [0,1,0,0,0,0|0,0,3]=4 634 B7R0.5 C#CCC(=O)[C@@H](C)O 1458a_100000717761_100000184674 [0,1,0,0,0,0|0,0,3]=4 635 B7R0.5 C#CCC(=O)[C@H](C)O 1458a_217856618621_100000184674 [0,1,0,0,0,0|0,0,3]=4 636 B7R0.5 C=C(C)C(=O)CCC 1458a_100000185857_100000210303 [0,1,0,0,0,0|0,0,3]=4 637 B7R0.5 C=C(C)C(=O)NCC 11a_100015525214_100000185857 [0,1,0,0,0,0|1,0,2]=4 638 B7R0.5 C=C(C)C(=O)NNC 22a_100016993582_100000185857 [0,1,0,0,0,0|2,0,1]=4 639 B7R0.5 C=CCC(=O)C(=C)C 1458a_100000185857_100000210623 [0,1,0,0,0,0|0,0,3]=4 640 B7R0.5 C=CCC(=O)C(C)C 1458a_100000210193_100000210206 [0,1,0,0,0,0|0,0,2]=3 641 B7R0.5 C=CCC(=O)C(C)C 1458a_100000210198_100000210623 [0,1,0,0,0,0|0,0,2]=3 642 B7R0.5 C=CCC(=O)C(C)F 1458a_100000062450_100000210623 [0,1,0,0,0,0|0,0,2]=3 643 B7R0.5 C=CCC(=O)C(O)O 1458a_100000233687_100000210623 [0,1,0,0,0,0|1,0,2]=4 644 B7R0.5 C=CCC(=O)N(C)C 11a_100102631434_100000210193 [0,1,0,0,0,0|1,0,2]=4 645 B7R0.5 C=CCC(=O)N(C)C 1626a_100102631434_100000210193 [0,1,0,0,0,0|1,0,2]=4 646 B7R0.5 C=CCC(=O)N(C)C 240690a_100102631434_100000210193 [0,1,0,0,0,0|1,0,2]=4 647 B7R0.5 C=CCC(=O)N(C)C 527a_100102631434_100000210193 [0,1,0,0,0,0|1,0,2]=4 648 B7R0.5 C=CCC(=O)[C@@H](C)O 1458a_100000717761_100000210623 [0,1,0,0,0,0|0,0,2]=3 649 B7R0.5 C=CCC(=O)[C@H](C)O 1458a_217856618621_100000210623 [0,1,0,0,0,0|0,0,2]=3 650 B7R0.5 CC#CC(=O)C(C)C 1458a_100000763181_100000210206 [0,1,0,0,0,0|0,0,2]=3 651 B7R0.5 CC(=O)C(=O)CS[13CH3] 62a_100011261029_200025704644 [0,1,0,0,0,0|1,0,2]=4 652 B7R0.5 CC(=O)C(=O)CS[13CH3] 62a_200025704644_100011261029 [0,1,0,0,0,0|1,0,2]=4 653 B7R0.5 CC(C)C(=O)C=CBr 1458a_100016273825_100000210206 [0,1,0,0,0,0|1,0,0]=2 654 B7R0.5 CC(C)C(=O)C=CCl 1458a_200016279998_100000210206 [0,1,0,0,0,0|1,0,0]=2 655 B7R0.5 CC(C)C(=O)C=CI 1458a_100016256311_100000210206 [0,1,0,0,0,0|1,0,0]=2 656 B7R0.5 CC(C)C(=O)CC#N 1458a_100000210198_100011214920 [0,1,0,0,0,0|1,0,2]=4 657 B7R0.5 CC(C)C(=O)CC#N 1458a_100051588842_100000210206 [0,1,0,0,0,0|1,0,2]=4 658 B7R0.5 CC(C)C(=O)CCF 1458a_100000210198_100011217306 [0,1,0,0,0,0|1,0,2]=4 659 B7R0.5 CC(C)C(=O)CCO 1458a_100000210198_100000211926 [0,1,0,0,0,0|1,0,2]=4 660 B7R0.5 CC(C)C(=O)CCO 1458a_100011216618_100000210206 [0,1,0,0,0,0|1,0,2]=4 661 B7R0.5 CC(C)C(=O)CS[13CH3] 62a_100000753385_200025704644 [0,1,0,0,0,0|1,0,1]=3 662 B7R0.5 CC(C)C(=O)CS[13CH3] 62a_200025704644_100000753385 [0,1,0,0,0,0|1,0,1]=3 663 B7R0.5 CC(F)C(=O)CC#N 1458a_100000062450_100011214920 [0,1,0,0,0,0|1,0,2]=4 664 B7R0.5 CC(F)C(=O)CCF 1458a_100000062450_100011217306 [0,1,0,0,0,0|1,0,2]=4 665 B7R0.5 CC(F)C(=O)CCO 1458a_100000062450_100000211926 [0,1,0,0,0,0|1,0,2]=4 666 B7R0.5 CC/C=C(\C)/C(=O)C 1458a_100016988807_200000210301 [0,1,0,0,0,0|1,0,2]=4 667 B7R0.5 CC/C=C(\C)/C(=O)[13CH3] 1458a_100016988807_200025704644 [0,1,0,0,0,0|1,0,2]=4 668 B7R0.5 CC=CC(=O)C(C)C 1458a_100000210699_100000210206 [0,1,0,0,0,0|0,0,0]=1 669 B7R0.5 CC=CC(=O)N(C)C 11a_100102631434_100000210699 [0,1,0,0,0,0|1,0,0]=2 670 B7R0.5 CC=CC(=O)N(C)C 1626a_100102631434_100000210699 [0,1,0,0,0,0|1,0,0]=2 671 B7R0.5 CC=CC(=O)N(C)C 240690a_100102631434_100000210699 [0,1,0,0,0,0|1,0,0]=2 672 B7R0.5 CCCC(=O)C(C)C 1458a_100000210198_100000210303 [0,1,0,0,0,0|0,0,2]=3 673 B7R0.5 CCCC(=O)C(C)C 1458a_100000211992_100000210206 [0,1,0,0,0,0|0,0,2]=3 674 B7R0.5 CCCC(=O)C(C)F 1458a_100000062450_100000210303 [0,1,0,0,0,0|0,0,2]=3 675 B7R0.5 CCCC(=O)C(O)O 1458a_100000233687_100000210303 [0,1,0,0,0,0|1,0,2]=4 676 B7R0.5 CCCC(=O)N(C)C 11a_100102631434_100000211992 [0,1,0,0,0,0|1,0,2]=4 677 B7R0.5 CCCC(=O)N(C)C 1626a_100102631434_100000211992 [0,1,0,0,0,0|1,0,2]=4 678 B7R0.5 CCCC(=O)N(C)C 240690a_100102631434_100000211992 [0,1,0,0,0,0|1,0,2]=4 679 B7R0.5 CCCC(=O)N(C)C 527a_100102631434_100000211992 [0,1,0,0,0,0|1,0,2]=4 680 B7R0.5 CCCC(=O)[C@@H](C)O 1458a_100000717761_100000210303 [0,1,0,0,0,0|0,0,2]=3 681 B7R0.5 CCCC(=O)[C@H](C)O 1458a_217856618621_100000210303 [0,1,0,0,0,0|0,0,2]=3 682 B7R0.5 CCNC(=O)C(=O)C 1458a_200011297158_200000210301 [0,1,0,0,0,0|1,0,2]=4 683 B7R0.5 CCNC(=O)C(=O)[13CH3] 1458a_200011297158_200025704644 [0,1,0,0,0,0|1,0,2]=4 684 B7R0.5 CCNC(=O)C(C)C 11a_100015525214_100000210198 [0,1,0,0,0,0|1,0,1]=3 685 B7R0.5 CCNC(=O)C(C)C 240690a_100015525214_100000210198 [0,1,0,0,0,0|1,0,1]=3 686 B7R0.5 CCNC(=O)C(C)C 527a_100015525214_100000210198 [0,1,0,0,0,0|1,0,1]=3 687 B7R0.5 CCNC(=O)C(C)F 11a_100015525214_100000062450 [0,1,0,0,0,0|1,0,1]=3 688 B7R0.5 CCNC(=O)C(C)F 240690a_100015525214_100000062450 [0,1,0,0,0,0|1,0,1]=3 689 B7R0.5 CCNC(=O)C(C)F 527a_100015525214_100000062450 [0,1,0,0,0,0|1,0,1]=3 690 B7R0.5 CCNC(=O)C(F)F 11a_100015525214_100000210393 [0,1,0,0,0,0|2,0,1]=4 691 B7R0.5 CCNC(=O)C(F)F 240690a_100015525214_100000210393 [0,1,0,0,0,0|2,0,1]=4 692 B7R0.5 CCNC(=O)C(F)F 527a_100015525214_100000210393 [0,1,0,0,0,0|2,0,1]=4 693 B7R0.5 CCNC(=O)C(O)O 240690a_100015525214_100000233687 [0,1,0,0,0,0|2,0,1]=4 694 B7R0.5 CCNC(=O)N(C)C 2708a_100015525214_100102631434 [0,1,0,0,0,0|2,0,1]=4 695 B7R0.5 CCNC(=O)[C@@H](C)O 240690a_100015525214_100000717761 [0,1,0,0,0,0|1,0,1]=3 696 B7R0.5 CCNC(=O)[C@H](C)O 240690a_100015525214_217856618621 [0,1,0,0,0,0|1,0,1]=3 697 B7R0.5 CN(C)C(=O)C=CBr 1626a_100102631434_100016273825 [0,1,0,0,0,0|2,0,0]=3 698 B7R0.5 CN(C)C(=O)C=CBr 240690a_100102631434_100016273825 [0,1,0,0,0,0|2,0,0]=3 699 B7R0.5 CN(C)C(=O)C=CCl 11a_100102631434_200016279998 [0,1,0,0,0,0|2,0,0]=3 700 B7R0.5 CN(C)C(=O)C=CCl 1626a_100102631434_200016279998 [0,1,0,0,0,0|2,0,0]=3 701 B7R0.5 CN(C)C(=O)C=CCl 240690a_100102631434_200016279998 [0,1,0,0,0,0|2,0,0]=3 702 B7R0.5 CN(C)C(=O)C=CI 1626a_100102631434_100016256311 [0,1,0,0,0,0|2,0,0]=3 703 B7R0.5 CN(C)C(=O)CN[13CH3] 2230a_100015183351_200025704644 [0,1,0,0,0,0|2,0,1]=4 704 B7R0.5 CN(C)C(=O)CS[13CH3] 62a_100000692301_200025704644 [0,1,0,0,0,0|2,0,1]=4 705 B7R0.5 CN(C)C(=O)CS[13CH3] 62a_200025704644_100000692301 [0,1,0,0,0,0|2,0,1]=4 706 B7R0.5 CNCC(=O)C(=O)C 34a_100102657272_100011261029 [0,1,0,0,0,0|1,0,2]=4 707 B7R0.5 CNCC(=O)C(C)C 2230a_106832991635_100000753385 [0,1,0,0,0,0|1,0,1]=3 708 B7R0.5 CNCC(=O)C(C)C 34a_100102657272_100000753385 [0,1,0,0,0,0|1,0,1]=3 709 B7R0.5 CNCC(=O)C(C)C 7a_106832991635_100000753385 [0,1,0,0,0,0|1,0,1]=3 710 B7R0.5 CNCC(=O)N(C)C 2230a_100015183351_200000210301 [0,1,0,0,0,0|2,0,1]=4 711 B7R0.5 CNCC(=O)N(C)C 2230a_106832991635_100000185267 [0,1,0,0,0,0|2,0,1]=4 712 B7R0.5 CNCC(=O)N(C)C 34a_100102657272_100000692301 [0,1,0,0,0,0|2,0,1]=4 713 B7R0.5 CNCC(=O)N(C)C 7a_106832991635_100000692301 [0,1,0,0,0,0|2,0,1]=4 714 B7R0.5 CNNC(=O)C(C)C 22a_100016993582_100000210198 [0,1,0,0,0,0|2,0,0]=3 715 B7R0.5 CNNC(=O)C(C)F 22a_100016993582_100000062450 [0,1,0,0,0,0|2,0,0]=3 716 B7R0.5 CNNC(=O)C(F)F 22a_100016993582_100000210393 [0,1,0,0,0,0|3,0,0]=4 717 B7R0.5 CNNC(=O)C(O)O 22a_100016993582_100000233687 [0,1,0,0,0,0|3,0,0]=4 718 B7R0.5 CNNC(=O)[C@@H](C)O 22a_100016993582_100000717761 [0,1,0,0,0,0|2,0,0]=3 719 B7R0.5 CNNC(=O)[C@H](C)O 22a_100016993582_217856618621 [0,1,0,0,0,0|2,0,0]=3 720 B7R0.5 COCC(=O)C(=O)C 34a_100138415774_100011261029 [0,1,0,0,0,0|1,0,2]=4 721 B7R0.5 COCC(=O)C(C)C 1458a_100000210968_100000210206 [0,1,0,0,0,0|1,0,1]=3 722 B7R0.5 COCC(=O)C(C)C 34a_100138415774_100000753385 [0,1,0,0,0,0|1,0,1]=3 723 B7R0.5 COCC(=O)N(C)C 11a_100102631434_100000210968 [0,1,0,0,0,0|2,0,1]=4 724 B7R0.5 COCC(=O)N(C)C 1626a_100102631434_100000210968 [0,1,0,0,0,0|2,0,1]=4 725 B7R0.5 COCC(=O)N(C)C 240690a_100102631434_100000210968 [0,1,0,0,0,0|2,0,1]=4 726 B7R0.5 COCC(=O)N(C)C 34a_100138415774_100000692301 [0,1,0,0,0,0|2,0,1]=4 727 B7R0.5 COCC(=O)N(C)C 527a_100102631434_100000210968 [0,1,0,0,0,0|2,0,1]=4 728 B7R0.5 CSCC(=O)C(=O)C 62a_100011261029_200000210301 [0,1,0,0,0,0|1,0,2]=4 729 B7R0.5 CSCC(=O)C(=O)C 62a_200000210301_100011261029 [0,1,0,0,0,0|1,0,2]=4 730 B7R0.5 CSCC(=O)C(C)C 1458a_100000184570_100000210206 [0,1,0,0,0,0|1,0,1]=3 731 B7R0.5 CSCC(=O)C(C)C 62a_100000753385_200000210301 [0,1,0,0,0,0|1,0,1]=3 732 B7R0.5 CSCC(=O)C(C)C 62a_200000210301_100000753385 [0,1,0,0,0,0|1,0,1]=3 733 B7R0.5 CSCC(=O)N(C)C 11a_100102631434_100000184570 [0,1,0,0,0,0|2,0,1]=4 734 B7R0.5 CSCC(=O)N(C)C 1626a_100102631434_100000184570 [0,1,0,0,0,0|2,0,1]=4 735 B7R0.5 CSCC(=O)N(C)C 240690a_100102631434_100000184570 [0,1,0,0,0,0|2,0,1]=4 736 B7R0.5 CSCC(=O)N(C)C 527a_100102631434_100000184570 [0,1,0,0,0,0|2,0,1]=4 737 B7R0.5 CSCC(=O)N(C)C 62a_100000692301_200000210301 [0,1,0,0,0,0|2,0,1]=4 738 B7R0.5 CSCC(=O)N(C)C 62a_200000210301_100000692301 [0,1,0,0,0,0|2,0,1]=4 739 B7R0.5 C[C@@H](O)C(=O)CC#N 1458a_100000717761_100011214920 [0,1,0,0,0,0|1,0,2]=4 740 B7R0.5 C[C@@H](O)C(=O)CCF 1458a_100000717761_100011217306 [0,1,0,0,0,0|1,0,2]=4 741 B7R0.5 C[C@@H](O)C(=O)CCO 1458a_100000717761_100000211926 [0,1,0,0,0,0|1,0,2]=4 742 B7R0.5 C[C@H](O)C(=O)CC#N 1458a_217856618621_100011214920 [0,1,0,0,0,0|1,0,2]=4 743 B7R0.5 C[C@H](O)C(=O)CCF 1458a_217856618621_100011217306 [0,1,0,0,0,0|1,0,2]=4 744 B7R0.5 C[C@H](O)C(=O)CCO 1458a_217856618621_100000211926 [0,1,0,0,0,0|1,0,2]=4 745 B7R0.7 C#CCC(=O)C#CC 1458a_100000763181_100000184674 [0,1,0,0,0,0|0,0,3]=4 746 B7R0.7 C#CCC(=O)C=CBr 1458a_100016273825_100000184674 [0,1,0,0,0,0|1,0,1]=3 747 B7R0.7 C#CCC(=O)C=CC 1458a_100000210699_100000184674 [0,1,0,0,0,0|0,0,1]=2 748 B7R0.7 C#CCC(=O)C=CCl 1458a_200016279998_100000184674 [0,1,0,0,0,0|1,0,1]=3 749 B7R0.7 C#CCC(=O)C=CI 1458a_100016256311_100000184674 [0,1,0,0,0,0|1,0,1]=3 750 B7R0.7 C#CCC(=O)CC=C 1458a_100000210193_100000184674 [0,1,0,0,0,0|0,0,3]=4 751 B7R0.7 C#CCC(=O)CC=C 1458a_100011220946_100000210623 [0,1,0,0,0,0|0,0,3]=4 752 B7R0.7 C#CCC(=O)CCC 1458a_100000211992_100000184674 [0,1,0,0,0,0|0,0,3]=4 753 B7R0.7 C#CCC(=O)CCC 1458a_100011220946_100000210303 [0,1,0,0,0,0|0,0,3]=4 754 B7R0.7 C#CCC(=O)CCF 1458a_100011220946_100011217306 [0,1,0,0,0,0|0,0,3]=4 755 B7R0.7 C#CCC(=O)CCO 1458a_100011216618_100000184674 [0,1,0,0,0,0|0,0,3]=4 756 B7R0.7 C#CCC(=O)CCO 1458a_100011220946_100000211926 [0,1,0,0,0,0|0,0,3]=4 757 B7R0.7 C#CCC(=O)COC 1458a_100000210968_100000184674 [0,1,0,0,0,0|0,0,3]=4 758 B7R0.7 C#CCC(=O)CSC 1458a_100000184570_100000184674 [0,1,0,0,0,0|0,0,3]=4 759 B7R0.7 C#CCC(=O)NCC 527a_100015525214_100011220946 [0,1,0,0,0,0|0,0,3]=4 760 B7R0.7 C/C=C/C(C)OCC 34a_200102604097_100000210202 [0,1,0,0,0,0|1,0,1]=3 761 B7R0.7 C/C=C/C(C)OCF 34a_200102604097_100015361967 [0,1,0,0,0,0|2,0,1]=4 762 B7R0.7 C=CCC(=O)C#CC 1458a_100000763181_100000210623 [0,1,0,0,0,0|0,0,3]=4 763 B7R0.7 C=CCC(=O)C=CBr 1458a_100016273825_100000210623 [0,1,0,0,0,0|1,0,1]=3 764 B7R0.7 C=CCC(=O)C=CC 1458a_100000210699_100000210623 [0,1,0,0,0,0|0,0,1]=2 765 B7R0.7 C=CCC(=O)C=CCl 1458a_200016279998_100000210623 [0,1,0,0,0,0|1,0,1]=3 766 B7R0.7 C=CCC(=O)C=CI 1458a_100016256311_100000210623 [0,1,0,0,0,0|1,0,1]=3 767 B7R0.7 C=CCC(=O)CC#N 1458a_100000210193_100011214920 [0,1,0,0,0,0|0,0,3]=4 768 B7R0.7 C=CCC(=O)CC#N 1458a_100051588842_100000210623 [0,1,0,0,0,0|0,0,3]=4 769 B7R0.7 C=CCC(=O)CC=C 1458a_100000210193_100000210623 [0,1,0,0,0,0|0,0,3]=4 770 B7R0.7 C=CCC(=O)CCC 1458a_100000210193_100000210303 [0,1,0,0,0,0|0,0,2]=3 771 B7R0.7 C=CCC(=O)CCC 1458a_100000211992_100000210623 [0,1,0,0,0,0|0,0,2]=3 772 B7R0.7 C=CCC(=O)CCF 1458a_100000210193_100011217306 [0,1,0,0,0,0|0,0,2]=3 773 B7R0.7 C=CCC(=O)CCO 1458a_100000210193_100000211926 [0,1,0,0,0,0|0,0,2]=3 774 B7R0.7 C=CCC(=O)CCO 1458a_100011216618_100000210623 [0,1,0,0,0,0|0,0,2]=3 775 B7R0.7 C=CCC(=O)COC 1458a_100000210968_100000210623 [0,1,0,0,0,0|0,0,2]=3 776 B7R0.7 C=CCC(=O)CSC 1458a_100000184570_100000210623 [0,1,0,0,0,0|0,0,2]=3 777 B7R0.7 C=CCC(=O)NCC 11a_100015525214_100000210193 [0,1,0,0,0,0|0,0,2]=3 778 B7R0.7 C=CCC(=O)NCC 240690a_100015525214_100000210193 [0,1,0,0,0,0|0,0,2]=3 779 B7R0.7 C=CCC(=O)NCC 527a_100015525214_100000210193 [0,1,0,0,0,0|0,0,2]=3 780 B7R0.7 C=CCC(=O)NNC 22a_100016993582_100000210193 [0,1,0,0,0,0|1,0,2]=4 781 B7R0.7 C=COC(=O)CNC 2230a_106832991635_100000036128 [0,1,0,0,0,0|1,0,1]=3 782 B7R0.7 C=COC(=O)CNC 34a_100102657272_100000036128 [0,1,0,0,0,0|1,0,1]=3 783 B7R0.7 C=COC(=O)COC 34a_100138415774_100000036128 [0,1,0,0,0,0|1,0,1]=3 784 B7R0.7 C=COC(=O)CSC 62a_100000036128_200000210301 [0,1,0,0,0,0|1,0,1]=3 785 B7R0.7 C=COC(=O)CSC 62a_200000210301_100000036128 [0,1,0,0,0,0|1,0,1]=3 786 B7R0.7 C=COC(=O)CS[13CH3] 62a_100000036128_200025704644 [0,1,0,0,0,0|1,0,1]=3 787 B7R0.7 C=COC(=O)CS[13CH3] 62a_200025704644_100000036128 [0,1,0,0,0,0|1,0,1]=3 788 B7R0.7 CC#CC(=O)CC#N 1458a_100000763181_100011214920 [0,1,0,0,0,0|0,0,3]=4 789 B7R0.7 CC#CC(=O)CCC 1458a_100000763181_100000210303 [0,1,0,0,0,0|0,0,2]=3 790 B7R0.7 CC#CC(=O)CCF 1458a_100000763181_100011217306 [0,1,0,0,0,0|0,0,2]=3 791 B7R0.7 CC#CC(=O)CCO 1458a_100000763181_100000211926 [0,1,0,0,0,0|0,0,2]=3 792 B7R0.7 CC#CC(=O)NNC 22a_100016993582_100000763181 [0,1,0,0,0,0|1,0,2]=4 793 B7R0.7 CC=CC(=O)CC#N 1458a_100000210699_100011214920 [0,1,0,0,0,0|0,0,1]=2 794 B7R0.7 CC=CC(=O)CCC 1458a_100000210699_100000210303 [0,1,0,0,0,0|0,0,0]=1 795 B7R0.7 CC=CC(=O)CCF 1458a_100000210699_100011217306 [0,1,0,0,0,0|0,0,0]=1 796 B7R0.7 CC=CC(=O)CCO 1458a_100000210699_100000211926 [0,1,0,0,0,0|0,0,0]=1 797 B7R0.7 CC=CC(=O)NCC 11a_100015525214_100000210699 [0,1,0,0,0,0|0,0,0]=1 798 B7R0.7 CC=CC(=O)NCC 240690a_100015525214_100000210699 [0,1,0,0,0,0|0,0,0]=1 799 B7R0.7 CC=CC(=O)NNC 22a_100016993582_100000210699 [0,1,0,0,0,0|1,0,0]=2 800 B7R0.7 CCCC(=O)C=CBr 1458a_100016273825_100000210303 [0,1,0,0,0,0|1,0,0]=2 801 B7R0.7 CCCC(=O)C=CCl 1458a_200016279998_100000210303 [0,1,0,0,0,0|1,0,0]=2 802 B7R0.7 CCCC(=O)C=CI 1458a_100016256311_100000210303 [0,1,0,0,0,0|1,0,0]=2 803 B7R0.7 CCCC(=O)CC#N 1458a_100000211992_100011214920 [0,1,0,0,0,0|0,0,3]=4 804 B7R0.7 CCCC(=O)CC#N 1458a_100051588842_100000210303 [0,1,0,0,0,0|0,0,3]=4 805 B7R0.7 CCCC(=O)CCC 1458a_100000211992_100000210303 [0,1,0,0,0,0|0,0,2]=3 806 B7R0.7 CCCC(=O)CCF 1458a_100000211992_100011217306 [0,1,0,0,0,0|0,0,2]=3 807 B7R0.7 CCCC(=O)CCO 1458a_100000211992_100000211926 [0,1,0,0,0,0|0,0,2]=3 808 B7R0.7 CCCC(=O)CCO 1458a_100011216618_100000210303 [0,1,0,0,0,0|0,0,2]=3 809 B7R0.7 CCCC(=O)CNC 2230a_106832991635_100000747444 [0,1,0,0,0,0|0,0,2]=3 810 B7R0.7 CCCC(=O)CNC 7a_106832991635_100000747444 [0,1,0,0,0,0|0,0,2]=3 811 B7R0.7 CCCC(=O)COC 1458a_100000210968_100000210303 [0,1,0,0,0,0|0,0,2]=3 812 B7R0.7 CCCC(=O)CSC 1458a_100000184570_100000210303 [0,1,0,0,0,0|0,0,2]=3 813 B7R0.7 CCCC(=O)CSC 62a_100000747444_200000210301 [0,1,0,0,0,0|0,0,2]=3 814 B7R0.7 CCCC(=O)CSC 62a_200000210301_100000747444 [0,1,0,0,0,0|0,0,2]=3 815 B7R0.7 CCCC(=O)CS[13CH3] 62a_100000747444_200025704644 [0,1,0,0,0,0|0,0,2]=3 816 B7R0.7 CCCC(=O)CS[13CH3] 62a_200025704644_100000747444 [0,1,0,0,0,0|0,0,2]=3 817 B7R0.7 CCCC(=O)NCC 11a_100015525214_100000211992 [0,1,0,0,0,0|0,0,2]=3 818 B7R0.7 CCCC(=O)NCC 240690a_100015525214_100000211992 [0,1,0,0,0,0|0,0,2]=3 819 B7R0.7 CCCC(=O)NCC 527a_100015525214_100000211992 [0,1,0,0,0,0|0,0,2]=3 820 B7R0.7 CCCC(=O)NNC 22a_100016993582_100000211992 [0,1,0,0,0,0|2,0,0]=3 821 B7R0.7 CCNC(=O)C=CBr 240690a_100015525214_100016273825 [0,1,0,0,0,0|1,0,0]=2 822 B7R0.7 CCNC(=O)C=CCl 11a_100015525214_200016279998 [0,1,0,0,0,0|1,0,0]=2 823 B7R0.7 CCNC(=O)C=CCl 240690a_100015525214_200016279998 [0,1,0,0,0,0|1,0,0]=2 824 B7R0.7 CCNC(=O)CC#N 240690a_100015525214_100051588842 [0,1,0,0,0,0|1,0,2]=4 825 B7R0.7 CCNC(=O)CCO 240690a_100015525214_100011216618 [0,1,0,0,0,0|1,0,1]=3 826 B7R0.7 CCNC(=O)CNC 2230a_100016988866_200000210301 [0,1,0,0,0,0|1,0,1]=3 827 B7R0.7 CCNC(=O)CNC 2230a_106832991635_100000183381 [0,1,0,0,0,0|1,0,1]=3 828 B7R0.7 CCNC(=O)CNC 34a_100102657272_100000183381 [0,1,0,0,0,0|1,0,1]=3 829 B7R0.7 CCNC(=O)CNC 7a_106832991635_100000183381 [0,1,0,0,0,0|1,0,1]=3 830 B7R0.7 CCNC(=O)CN[13CH3] 2230a_100016988866_200025704644 [0,1,0,0,0,0|1,0,1]=3 831 B7R0.7 CCNC(=O)COC 11a_100015525214_100000210968 [0,1,0,0,0,0|1,0,1]=3 832 B7R0.7 CCNC(=O)COC 240690a_100015525214_100000210968 [0,1,0,0,0,0|1,0,1]=3 833 B7R0.7 CCNC(=O)COC 34a_100138415774_100000183381 [0,1,0,0,0,0|1,0,1]=3 834 B7R0.7 CCNC(=O)COC 527a_100015525214_100000210968 [0,1,0,0,0,0|1,0,1]=3 835 B7R0.7 CCNC(=O)CSC 11a_100015525214_100000184570 [0,1,0,0,0,0|1,0,1]=3 836 B7R0.7 CCNC(=O)CSC 240690a_100015525214_100000184570 [0,1,0,0,0,0|1,0,1]=3 837 B7R0.7 CCNC(=O)CSC 527a_100015525214_100000184570 [0,1,0,0,0,0|1,0,1]=3 838 B7R0.7 CCNC(=O)CSC 62a_100000183381_200000210301 [0,1,0,0,0,0|1,0,1]=3 839 B7R0.7 CCNC(=O)CSC 62a_200000210301_100000183381 [0,1,0,0,0,0|1,0,1]=3 840 B7R0.7 CCNC(=O)CS[13CH3] 62a_100000183381_200025704644 [0,1,0,0,0,0|1,0,1]=3 841 B7R0.7 CCNC(=O)CS[13CH3] 62a_200025704644_100000183381 [0,1,0,0,0,0|1,0,1]=3 842 B7R0.7 CCNC(=O)NCC 2708a_100015525214_100015525214 [0,1,0,0,0,0|1,0,1]=3 843 B7R0.7 CCNC(=O)NCC 273464a_100015525214_100015525214 [0,1,0,0,0,0|1,0,1]=3 844 B7R0.7 CCNC(=O)NCC 512a_100015525214_100015525214 [0,1,0,0,0,0|1,0,1]=3 845 B7R0.7 CCNC(=O)NNC 273464a_100015525214_100016993582 [0,1,0,0,0,0|2,0,0]=3 846 B7R0.7 CCNC(=O)NNC 512a_100015525214_100016993582 [0,1,0,0,0,0|2,0,0]=3 847 B7R0.7 CCNC(=O)NNC 512a_100016993582_100015525214 [0,1,0,0,0,0|2,0,0]=3 848 B7R0.7 CCOC(=O)CNC 2230a_106832991635_100000188475 [0,1,0,0,0,0|1,0,1]=3 849 B7R0.7 CCOC(=O)CNC 34a_100102657272_100000188475 [0,1,0,0,0,0|1,0,1]=3 850 B7R0.7 CCOC(=O)CNC 7a_106832991635_100000188475 [0,1,0,0,0,0|1,0,1]=3 851 B7R0.7 CCOC(=O)COC 34a_100138415774_100000188475 [0,1,0,0,0,0|1,0,1]=3 852 B7R0.7 CCOC(=O)CSC 62a_100000188475_200000210301 [0,1,0,0,0,0|1,0,1]=3 853 B7R0.7 CCOC(=O)CSC 62a_200000210301_100000188475 [0,1,0,0,0,0|1,0,1]=3 854 B7R0.7 CCOC(=O)CS[13CH3] 62a_100000188475_200025704644 [0,1,0,0,0,0|1,0,1]=3 855 B7R0.7 CCOC(=O)CS[13CH3] 62a_200025704644_100000188475 [0,1,0,0,0,0|1,0,1]=3 856 B7R0.7 CNCC(=O)NCO 2230a_106832991635_100000185155 [0,1,0,0,0,0|2,0,1]=4 857 B7R0.7 CNCC(=O)NCO 34a_100102657272_100000185155 [0,1,0,0,0,0|2,0,1]=4 858 B7R0.7 CNCC(=O)NCO 7a_106832991635_100000185155 [0,1,0,0,0,0|2,0,1]=4 859 B7R0.7 CNNC(=O)CC#N 22a_100016993582_100051588842 [0,1,0,0,0,0|2,0,1]=4 860 B7R0.7 CNNC(=O)CCO 22a_100016993582_100011216618 [0,1,0,0,0,0|2,0,0]=3 861 B7R0.7 CNNC(=O)COC 22a_100016993582_100000210968 [0,1,0,0,0,0|2,0,0]=3 862 B7R0.7 CNNC(=O)CSC 22a_100016993582_100000184570 [0,1,0,0,0,0|2,0,0]=3 863 B7R0.7 CNNC(=O)NNC 512a_100016993582_100016993582 [0,1,0,0,0,0|3,0,0]=4 864 B7R0.7 COCC(=O)CC#N 1458a_100000210968_100011214920 [0,1,0,0,0,0|1,0,2]=4 865 B7R0.7 COCC(=O)CCF 1458a_100000210968_100011217306 [0,1,0,0,0,0|1,0,1]=3 866 B7R0.7 COCC(=O)CCO 1458a_100000210968_100000211926 [0,1,0,0,0,0|1,0,1]=3 867 B7R0.7 COCC(=O)NCO 34a_100138415774_100000185155 [0,1,0,0,0,0|2,0,1]=4 868 B7R0.7 CSCC(=O)CC#N 1458a_100000184570_100011214920 [0,1,0,0,0,0|1,0,2]=4 869 B7R0.7 CSCC(=O)CCF 1458a_100000184570_100011217306 [0,1,0,0,0,0|1,0,1]=3 870 B7R0.7 CSCC(=O)CCO 1458a_100000184570_100000211926 [0,1,0,0,0,0|1,0,1]=3 871 B7R0.7 CSCC(=O)NCO 62a_100000185155_200000210301 [0,1,0,0,0,0|2,0,1]=4 872 B7R0.7 CSCC(=O)NCO 62a_200000210301_100000185155 [0,1,0,0,0,0|2,0,1]=4 873 B7R0.7 N#CCC(=O)C=CBr 1458a_100016273825_100011214920 [0,1,0,0,0,0|1,0,1]=3 874 B7R0.7 N#CCC(=O)C=CCl 1458a_200016279998_100011214920 [0,1,0,0,0,0|1,0,1]=3 875 B7R0.7 N#CCC(=O)C=CI 1458a_100016256311_100011214920 [0,1,0,0,0,0|1,0,1]=3 876 B7R0.7 N#CCC(=O)CCF 1458a_100051588842_100011217306 [0,1,0,0,0,0|1,0,2]=4 877 B7R0.7 N#CCC(=O)CCO 1458a_100011216618_100011214920 [0,1,0,0,0,0|1,0,2]=4 878 B7R0.7 N#CCC(=O)CCO 1458a_100051588842_100000211926 [0,1,0,0,0,0|1,0,2]=4 879 B7R0.7 O=C(C=CBr)CCF 1458a_100016273825_100011217306 [0,1,0,0,0,0|1,0,0]=2 880 B7R0.7 O=C(C=CBr)CCO 1458a_100016273825_100000211926 [0,1,0,0,0,0|1,0,0]=2 881 B7R0.7 O=C(C=CCl)CCF 1458a_200016279998_100011217306 [0,1,0,0,0,0|1,0,0]=2 882 B7R0.7 O=C(C=CCl)CCO 1458a_200016279998_100000211926 [0,1,0,0,0,0|1,0,0]=2 883 B7R0.7 O=C(C=CI)CCF 1458a_100016256311_100011217306 [0,1,0,0,0,0|1,0,0]=2 884 B7R0.7 O=C(C=CI)CCO 1458a_100016256311_100000211926 [0,1,0,0,0,0|1,0,0]=2 885 B7R0.7 O=C(CCO)CCF 1458a_100011216618_100011217306 [0,1,0,0,0,0|1,0,2]=4 886 B7R0.7 O=C(CCO)CCO 1458a_100011216618_100000211926 [0,1,0,0,0,0|1,0,2]=4 887 B7R0.7 [13CH3]SCC(=O)NCO 62a_100000185155_200025704644 [0,1,0,0,0,0|2,0,1]=4 888 B7R0.7 [13CH3]SCC(=O)NCO 62a_200025704644_100000185155 [0,1,0,0,0,0|2,0,1]=4 889 B7R0.10 C#CC(C)C(=O)CC 1458a_100000210414_200000035995 [0,1,0,0,0,0|0,0,3]=4 890 B7R0.10 C/C=C(\C)/C(=O)CC 1458a_100020587367_100000210202 [0,1,0,0,0,0|0,0,0]=1 891 B7R0.10 C/C=C(\C)/C(=O)CF 1458a_100020587367_100015361967 [0,1,0,0,0,0|1,0,0]=2 892 B7R0.10 C/C=C(\C)/C(=O)NC 11a_106832991635_100020587367 [0,1,0,0,0,0|1,0,0]=2 893 B7R0.10 C/C=C(\C)/C(=O)NC 1626a_100102657272_100020587367 [0,1,0,0,0,0|1,0,0]=2 894 B7R0.10 C/C=C(\C)/C(C)NC 269862a_106832991636_100020675665 [0,1,0,0,0,0|2,0,1]=4 895 B7R0.10 C=CC(=O)C(C)CC 1458a_100000185746_100000758301 [0,1,0,0,0,0|1,0,2]=4 896 B7R0.10 C=CC(=O)N(C)CC 1626a_100000225621_100000185746 [0,1,0,0,0,0|2,0,1]=4 897 B7R0.10 C=CC(=O)N(C)CC 240690a_100000225621_200121576911 [0,1,0,0,0,0|2,0,1]=4 898 B7R0.10 C=CC(C)C(=O)CC 1458a_100011216780_100000210202 [0,1,0,0,0,0|0,0,2]=3 899 B7R0.10 C=CC(C)C(=O)CF 1458a_100011216780_100015361967 [0,1,0,0,0,0|1,0,2]=4 900 B7R0.10 C=CC(C)C(=O)NC 11a_106832991635_100011216780 [0,1,0,0,0,0|1,0,2]=4 901 B7R0.10 C=CC(C)C(=O)NC 1626a_100102657272_100011216780 [0,1,0,0,0,0|1,0,2]=4 902 B7R0.10 C=CC(C)C(=O)NC 240690a_100102657272_100011216780 [0,1,0,0,0,0|1,0,2]=4 903 B7R0.10 C=CC(C)C(=O)NC 527a_100102657272_100011216780 [0,1,0,0,0,0|1,0,2]=4 904 B7R0.10 CCC(=O)C(=O)NC 1458a_100011218921_100000210202 [0,1,0,0,0,0|1,0,0]=2 905 B7R0.10 CCC(=O)C(C)C#N 1458a_100000210414_100000703298 [0,1,0,0,0,0|1,0,2]=4 906 B7R0.10 CCC(=O)C(C)C#N 1458a_100000753662_100000210202 [0,1,0,0,0,0|1,0,2]=4 907 B7R0.10 CCC(=O)C(C)CC 1458a_100000210414_100000758301 [0,1,0,0,0,0|0,0,2]=3 908 B7R0.10 CCC(=O)C(C)CC 1458a_100011192722_100000210202 [0,1,0,0,0,0|0,0,2]=3 909 B7R0.10 CCC(=O)C(C)NC 2230a_106832991635_100000742827 [0,1,0,0,0,0|1,0,1]=3 910 B7R0.10 CCC(=O)C(C)NC 7a_106832991635_100000742827 [0,1,0,0,0,0|1,0,1]=3 911 B7R0.10 CCC(=O)C(C)OC 1458a_100000743197_100000210202 [0,1,0,0,0,0|1,0,1]=3 912 B7R0.10 CCC(=O)C(C)SC 1458a_100000149566_100000210202 [0,1,0,0,0,0|1,0,1]=3 913 B7R0.10 CCC(=O)C(C)SC 62a_100000742827_200000210301 [0,1,0,0,0,0|1,0,1]=3 914 B7R0.10 CCC(=O)C(C)SC 62a_200000210301_100000742827 [0,1,0,0,0,0|1,0,1]=3 915 B7R0.10 CCC(=O)C(C)S[13CH3] 62a_100000742827_200025704644 [0,1,0,0,0,0|1,0,1]=3 916 B7R0.10 CCC(=O)C(C)S[13CH3] 62a_200025704644_100000742827 [0,1,0,0,0,0|1,0,1]=3 917 B7R0.10 CCC(=O)C(O)CC 1458a_100011196387_100000210202 [0,1,0,0,0,0|0,0,2]=3 918 B7R0.10 CCC(=O)C(O)CO 1458a_100011215603_100000210202 [0,1,0,0,0,0|1,0,2]=4 919 B7R0.10 CCC(=O)N(C)CC 11a_100000225621_100000210414 [0,1,0,0,0,0|1,0,1]=3 920 B7R0.10 CCC(=O)N(C)CC 1626a_100000225621_100000210414 [0,1,0,0,0,0|1,0,1]=3 921 B7R0.10 CCC(=O)N(C)CC 240690a_100000225621_100000210414 [0,1,0,0,0,0|1,0,1]=3 922 B7R0.10 CCC(=O)N(C)CC 527a_100000225621_100000210414 [0,1,0,0,0,0|1,0,1]=3 923 B7R0.10 CCC(C)C(=O)CF 1458a_100011192722_100015361967 [0,1,0,0,0,0|1,0,2]=4 924 B7R0.10 CCC(C)C(=O)CO 1458a_100000210174_100000758301 [0,1,0,0,0,0|1,0,2]=4 925 B7R0.10 CCC(C)C(=O)NC 11a_106832991635_100011192722 [0,1,0,0,0,0|1,0,2]=4 926 B7R0.10 CCC(C)C(=O)NC 1626a_100102657272_100011192722 [0,1,0,0,0,0|1,0,2]=4 927 B7R0.10 CCC(C)C(=O)NC 240690a_100102657272_100011192722 [0,1,0,0,0,0|1,0,2]=4 928 B7R0.10 CCC(C)C(=O)NC 527a_100102657272_100011192722 [0,1,0,0,0,0|1,0,2]=4 929 B7R0.10 CCC(O)C(=O)CF 1458a_100011196387_100015361967 [0,1,0,0,0,0|1,0,2]=4 930 B7R0.10 CCC(O)C(=O)NC 240690a_100102657272_100011196387 [0,1,0,0,0,0|1,0,2]=4 931 B7R0.10 CCN(C)C(=O)CO 240690a_100000225621_100000210174 [0,1,0,0,0,0|2,0,1]=4 932 B7R0.10 CCN(C)C(=O)CO 527a_100000225621_100000210174 [0,1,0,0,0,0|2,0,1]=4 933 B7R0.10 CCN(C)C(=O)NC 2708a_100102657272_100000225621 [0,1,0,0,0,0|2,0,1]=4 934 B7R0.10 CCN(C)C(=O)NC 273464a_100102657272_100000225621 [0,1,0,0,0,0|2,0,1]=4 935 B7R0.10 CNC(=O)C(=O)CF 1458a_100011218921_100015361967 [0,1,0,0,0,0|2,0,0]=3 936 B7R0.10 CNC(=O)C(=O)NC 1626a_100102657272_100011218921 [0,1,0,0,0,0|2,0,0]=3 937 B7R0.10 CNC(=O)C(=O)NC 240690a_100102657272_100011218921 [0,1,0,0,0,0|2,0,0]=3 938 B7R0.10 CNC(=O)C(=O)NC 527a_100102657272_100011218921 [0,1,0,0,0,0|2,0,0]=3 939 B7R0.10 CNC(=O)C(=O)OC 11a_106832991635_100000024059 [0,1,0,0,0,0|2,0,0]=3 940 B7R0.10 CNC(=O)C(=O)OC 1626a_100102657272_100000024059 [0,1,0,0,0,0|2,0,0]=3 941 B7R0.10 CNC(=O)C(=O)OC 240690a_100102657272_100000024059 [0,1,0,0,0,0|2,0,0]=3 942 B7R0.10 CNC(=O)C(=O)OC 527a_100102657272_100000024059 [0,1,0,0,0,0|2,0,0]=3 943 B7R0.10 CNC(=O)C(C)NC 2230a_106832991635_100000731044 [0,1,0,0,0,0|2,0,1]=4 944 B7R0.10 CNC(=O)C(C)NC 34a_100102657272_100000731044 [0,1,0,0,0,0|2,0,1]=4 945 B7R0.10 CNC(=O)C(C)NC 7a_106832991635_100000209862 [0,1,0,0,0,0|2,0,1]=4 946 B7R0.10 CNC(=O)C(C)OC 11a_106832991635_100000743197 [0,1,0,0,0,0|2,0,1]=4 947 B7R0.10 CNC(=O)C(C)OC 1626a_100102657272_100000743197 [0,1,0,0,0,0|2,0,1]=4 948 B7R0.10 CNC(=O)C(C)OC 240690a_100102657272_100000743197 [0,1,0,0,0,0|2,0,1]=4 949 B7R0.10 CNC(=O)C(C)OC 34a_100138415774_100000731044 [0,1,0,0,0,0|2,0,1]=4 950 B7R0.10 CNC(=O)C(C)OC 527a_100102657272_100000743197 [0,1,0,0,0,0|2,0,1]=4 951 B7R0.10 CNC(=O)C(C)SC 11a_106832991635_100000149566 [0,1,0,0,0,0|2,0,1]=4 952 B7R0.10 CNC(=O)C(C)SC 1626a_100102657272_100000149566 [0,1,0,0,0,0|2,0,1]=4 953 B7R0.10 CNC(=O)C(C)SC 240690a_100102657272_100000149566 [0,1,0,0,0,0|2,0,1]=4 954 B7R0.10 CNC(=O)C(C)SC 527a_100102657272_100000149566 [0,1,0,0,0,0|2,0,1]=4 955 B7R0.10 CNC(=O)C(C)SC 62a_100000209862_200000210301 [0,1,0,0,0,0|2,0,1]=4 956 B7R0.10 CNC(=O)C(C)SC 62a_200000210301_100000731044 [0,1,0,0,0,0|2,0,1]=4 957 B7R0.10 CNC(=O)C(C)S[13CH3] 62a_100000209862_200025704644 [0,1,0,0,0,0|2,0,1]=4 958 B7R0.10 CNC(=O)C(C)S[13CH3] 62a_200025704644_100000731044 [0,1,0,0,0,0|2,0,1]=4 959 B7R0.10 CNC(=O)C(F)NC 2230a_106832991635_100009813575 [0,1,0,0,0,0|2,0,1]=4 960 B7R0.10 CNC(=O)C(F)NC 34a_100102657272_100009813575 [0,1,0,0,0,0|2,0,1]=4 961 B7R0.10 CNC(=O)C(F)NC 7a_106832991635_100009813575 [0,1,0,0,0,0|2,0,1]=4 962 B7R0.10 CNC(=O)C(F)OC 34a_100138415774_100009813575 [0,1,0,0,0,0|2,0,1]=4 963 B7R0.10 CNC(=O)C(F)SC 62a_100009813575_200000210301 [0,1,0,0,0,0|2,0,1]=4 964 B7R0.10 CNC(=O)C(F)SC 62a_200000210301_100009813575 [0,1,0,0,0,0|2,0,1]=4 965 B7R0.10 CNC(=O)C(F)S[13CH3] 62a_100009813575_200025704644 [0,1,0,0,0,0|2,0,1]=4 966 B7R0.10 CNC(=O)C(F)S[13CH3] 62a_200025704644_100009813575 [0,1,0,0,0,0|2,0,1]=4 967 B7R0.10 CNC(=O)[C@@H](C)NC 2230a_100000684985_200000210301 [0,1,0,0,0,0|2,0,1]=4 968 B7R0.10 CNC(=O)[C@@H](C)NC 34a_100000684985_200000210301 [0,1,0,0,0,0|2,0,1]=4 969 B7R0.10 CNC(=O)[C@@H](C)N[13CH3] 2230a_100000684985_200025704644 [0,1,0,0,0,0|2,0,1]=4 970 B7R0.10 CNC(=O)[C@@H](C)N[13CH3] 34a_100000684985_200025704644 [0,1,0,0,0,0|2,0,1]=4 971 B7R0.10 CNC(C)C(=O)OC 2230a_106832991635_100000211248 [0,1,0,0,0,0|2,0,1]=4 972 B7R0.10 CNC(C)C(=O)OC 34a_100102657272_100000211248 [0,1,0,0,0,0|2,0,1]=4 973 B7R0.10 CNC(C)C(=O)OC 7a_106832991635_100000211248 [0,1,0,0,0,0|2,0,1]=4 974 B7R0.10 COC(=O)C(C)OC 34a_100011215400_200000210301 [0,1,0,0,0,0|2,0,1]=4 975 B7R0.10 COC(=O)C(C)OC 34a_100138415774_100000211248 [0,1,0,0,0,0|2,0,1]=4 976 B7R0.10 COC(=O)C(C)O[13CH3] 34a_100011215400_200025704644 [0,1,0,0,0,0|2,0,1]=4 977 B7R0.10 COC(=O)C(C)SC 62a_100000211248_200000210301 [0,1,0,0,0,0|2,0,1]=4 978 B7R0.10 COC(=O)C(C)SC 62a_200000210301_100000211248 [0,1,0,0,0,0|2,0,1]=4 979 B7R0.10 COC(=O)C(C)S[13CH3] 62a_100000211248_200025704644 [0,1,0,0,0,0|2,0,1]=4 980 B7R0.10 COC(=O)C(C)S[13CH3] 62a_200025704644_100000211248 [0,1,0,0,0,0|2,0,1]=4 981 B7R0.10 COC(C)C(=O)CF 1458a_100000743197_100015361967 [0,1,0,0,0,0|2,0,1]=4 982 B7R0.10 CSC(C)C(=O)CF 1458a_100000149566_100015361967 [0,1,0,0,0,0|2,0,1]=4 983 B7R0.11 CCNS(=O)(=O)CC 270084a_100015525214_100000211323 [0,1,0,0,0,0|2,0,1]=4 984 B7R0.11 CCNS(=O)(=O)CC 274078a_100015525214_100000211323 [0,1,0,0,0,0|2,0,1]=4 985 B7R0.11 CCNS(=O)(=O)CC 40a_100015525214_100000053943 [0,1,0,0,0,0|2,0,1]=4 986 B7R0.11 CCS(=O)(=O)NNC 40a_100016993582_100000053943 [0,1,0,0,0,0|3,0,0]=4 987 B7R1.1 COc1ccsc1 34a_100000106738_200000210301 [0,0,0,1,0,0|3,0,0]=4 988 B7R1.1 COc1ccsc1 7a_100000106738_200000210301 [0,0,0,1,0,0|3,0,0]=4 989 B7R1.1 CSc1cc[nH]n1 62a_100000062575_200000210301 [0,0,0,1,0,0|3,0,0]=4 990 B7R1.1 CSc1cc[nH]n1 62a_200000210301_100000062575 [0,0,0,1,0,0|3,0,0]=4 991 B7R1.1 CSc1ccco1 62a_100009814098_200000210301 [0,0,0,1,0,0|1,0,2]=4 992 B7R1.1 CSc1ccco1 62a_200000210301_100009814098 [0,0,0,1,0,0|1,0,2]=4 993 B7R1.1 CSc1cccs1 62a_100011215356_200000210301 [0,0,0,1,0,0|1,1,1]=4 994 B7R1.1 CSc1cccs1 62a_200000210301_100011215356 [0,0,0,1,0,0|1,1,1]=4 995 B7R1.1 CSc1ccoc1 62a_100011215275_200000210301 [0,0,0,1,0,0|3,0,0]=4 996 B7R1.1 CSc1ccoc1 62a_200000210301_100011215275 [0,0,0,1,0,0|3,0,0]=4 997 B7R1.1 CSc1ccon1 62a_100009818083_200000210301 [0,0,0,1,0,0|3,0,0]=4 998 B7R1.1 CSc1ccon1 62a_200000210301_100009818083 [0,0,0,1,0,0|3,0,0]=4 999 B7R1.1 CSc1ccsc1 62a_100000738268_200000210301 [0,0,0,1,0,0|3,0,0]=4 1000 B7R1.1 CSc1ccsc1 62a_200000210301_100000738268 [0,0,0,1,0,0|3,0,0]=4 1001 B7R1.1 CSc1ccsn1 62a_100009818082_200000210301 [0,0,0,1,0,0|3,0,0]=4 1002 B7R1.1 CSc1ccsn1 62a_200000210301_100009818082 [0,0,0,1,0,0|3,0,0]=4 1003 B7R1.1 [13CH3]Oc1ccsc1 34a_100000106738_200025704644 [0,0,0,1,0,0|3,0,0]=4 1004 B7R1.1 [13CH3]Oc1ccsc1 7a_100000106738_200025704644 [0,0,0,1,0,0|3,0,0]=4 1005 B7R1.1 [13CH3]Sc1cc[nH]n1 62a_100000062575_200025704644 [0,0,0,1,0,0|3,0,0]=4 1006 B7R1.1 [13CH3]Sc1cc[nH]n1 62a_200025704644_100000062575 [0,0,0,1,0,0|3,0,0]=4 1007 B7R1.1 [13CH3]Sc1ccco1 62a_100009814098_200025704644 [0,0,0,1,0,0|1,0,2]=4 1008 B7R1.1 [13CH3]Sc1ccco1 62a_200025704644_100009814098 [0,0,0,1,0,0|1,0,2]=4 1009 B7R1.1 [13CH3]Sc1cccs1 62a_100011215356_200025704644 [0,0,0,1,0,0|1,1,1]=4 1010 B7R1.1 [13CH3]Sc1cccs1 62a_200025704644_100011215356 [0,0,0,1,0,0|1,1,1]=4 1011 B7R1.1 [13CH3]Sc1ccoc1 62a_100011215275_200025704644 [0,0,0,1,0,0|3,0,0]=4 1012 B7R1.1 [13CH3]Sc1ccoc1 62a_200025704644_100011215275 [0,0,0,1,0,0|3,0,0]=4 1013 B7R1.1 [13CH3]Sc1ccon1 62a_100009818083_200025704644 [0,0,0,1,0,0|3,0,0]=4 1014 B7R1.1 [13CH3]Sc1ccon1 62a_200025704644_100009818083 [0,0,0,1,0,0|3,0,0]=4 1015 B7R1.1 [13CH3]Sc1ccsc1 62a_100000738268_200025704644 [0,0,0,1,0,0|3,0,0]=4 1016 B7R1.1 [13CH3]Sc1ccsc1 62a_200025704644_100000738268 [0,0,0,1,0,0|3,0,0]=4 1017 B7R1.1 [13CH3]Sc1ccsn1 62a_100009818082_200025704644 [0,0,0,1,0,0|3,0,0]=4 1018 B7R1.1 [13CH3]Sc1ccsn1 62a_200025704644_100009818082 [0,0,0,1,0,0|3,0,0]=4 1019 B7R1.2 CN1CNC(=O)C1 2230a_200000708111_200000210301 [0,0,0,1,0,0|2,0,1]=4 1020 B7R1.2 Cc1cc(cs1)O 271570a_203496583355_100000759034 [0,0,0,1,0,0|1,0,2]=4 1021 B7R1.2 Cc1cc(n[nH]1)O 271570a_203496583355_100015199547 [0,0,0,1,0,0|2,0,1]=4 1022 B7R1.2 Cc1cc(sn1)O 271570a_203496583355_100009815735 [0,0,0,1,0,0|2,0,1]=4 1023 B7R1.2 Cc1csc(c1)O 271570a_203496583355_100009876951 [0,0,0,1,0,0|1,0,2]=4 1024 B7R1.2 [13CH3]N1CNC(=O)C1 2230a_200000708111_200025704644 [0,0,0,1,0,0|2,0,1]=4 1025 B7R1.4 Cc1sccc1O 271570a_203496583355_100000684487 [0,0,0,1,0,0|1,0,2]=4 1026 B7R1.4 Cn1nccc1O 271570a_203496583355_100000688441 [0,0,0,1,0,0|2,0,1]=4 1027 B7R1.8 CNC1CCC1=O 34a_100102657272_100009892977 [0,0,0,1,0,0|1,0,1]=3 1028 B7R1.8 CNC1CCC1=O 7a_106832991635_100009892977 [0,0,0,1,0,0|1,0,1]=3 1029 B7R1.8 COC1CCC1=O 34a_100138415774_100009892977 [0,0,0,1,0,0|1,0,1]=3 1030 B7R1.8 CSC1CCC1=O 62a_100009892977_200000210301 [0,0,0,1,0,0|1,0,1]=3 1031 B7R1.8 CSC1CCC1=O 62a_200000210301_100009892977 [0,0,0,1,0,0|1,0,1]=3 1032 B7R1.8 [13CH3]SC1CCC1=O 62a_100009892977_200025704644 [0,0,0,1,0,0|1,0,1]=3 1033 B7R1.8 [13CH3]SC1CCC1=O 62a_200025704644_100009892977 [0,0,0,1,0,0|1,0,1]=3 1034 B7R1.22 CCC(=O)C1CC1 1458a_100000210395_100000210202 [0,0,0,1,0,0|0,0,2]=3 1035 B7R1.22 CCC(=O)C1CO1 1458a_100000701028_100000210202 [0,0,0,1,0,0|1,0,1]=3 1036 B7R1.22 CNC(=O)C1CC1 11a_106832991635_100000210395 [0,0,0,1,0,0|1,0,2]=4 1037 B7R1.22 CNC(=O)C1CC1 1626a_100102657272_100000210395 [0,0,0,1,0,0|1,0,2]=4 1038 B7R1.22 CNC(=O)C1CC1 240690a_100102657272_100000210395 [0,0,0,1,0,0|1,0,2]=4 1039 B7R1.22 CNC(=O)C1CC1 527a_100102657272_100000210395 [0,0,0,1,0,0|1,0,2]=4 1040 B7R1.22 CNC(=O)C1CO1 11a_106832991635_100000701028 [0,0,0,1,0,0|2,0,1]=4 1041 B7R1.22 CNC(=O)C1CO1 1626a_100102657272_100000701028 [0,0,0,1,0,0|2,0,1]=4 1042 B7R1.22 CNC(=O)C1CO1 240690a_100102657272_100000701028 [0,0,0,1,0,0|2,0,1]=4 1043 B7R1.22 CNC(=O)C1CO1 527a_100102657272_100000701028 [0,0,0,1,0,0|2,0,1]=4 1044 B7R1.22 O=C(CF)C1CC1 1458a_100000210395_100015361967 [0,0,0,1,0,0|1,0,2]=4 1045 B7R1.22 O=C(CF)C1CO1 1458a_100000701028_100015361967 [0,0,0,1,0,0|2,0,1]=4 1046 B4R0.1 C#CC(=O)C 1458a_100000211873_200000210301 [2,0,0,0,0,0|0,0,2]=4 1047 B4R0.1 C#CC(=O)[13CH3] 1458a_100000211873_200025704644 [2,0,0,0,0,0|0,0,2]=4 1048 B4R0.1 C=CC(=O)C 1458a_100000185746_200000210301 [2,0,0,0,0,0|0,0,0]=2 1049 B4R0.1 C=CC(=O)[13CH3] 1458a_100000185746_200025704644 [2,0,0,0,0,0|0,0,0]=2 1050 B4R0.1 CC(=O)CF 1458a_100000070787_100015361967 [2,0,0,0,0,0|1,0,0]=3 1051 B4R0.1 CC(=O)CO 1458a_100000210174_200000210301 [2,0,0,0,0,0|1,0,0]=3 1052 B4R0.1 CCC(=O)C 1458a_100000070787_100000210202 [2,0,0,0,0,0|0,0,0]=2 1053 B4R0.1 CCC(=O)C 1458a_100000210414_200000210301 [2,0,0,0,0,0|0,0,0]=2 1054 B4R0.1 CCC(=O)[13CH3] 1458a_100000210414_200025704644 [2,0,0,0,0,0|0,0,0]=2 1055 B4R0.1 CCN(C)C 2230a_100000225621_200000210301 [2,0,0,0,0,0|2,0,0]=4 1056 B4R0.1 CCN(C)C 2230a_100102631434_100000210202 [2,0,0,0,0,0|2,0,0]=4 1057 B4R0.1 CCN(C)C 269982a_100000225621_200000210301 [2,0,0,0,0,0|2,0,0]=4 1058 B4R0.1 CCN(C)C 269982a_100102631434_100000204670 [2,0,0,0,0,0|2,0,0]=4 1059 B4R0.1 CCN(C)[13CH3] 2230a_100000225621_200025704644 [2,0,0,0,0,0|2,0,0]=4 1060 B4R0.1 CCN(C)[13CH3] 269982a_100000225621_200025704644 [2,0,0,0,0,0|2,0,0]=4 1061 B4R0.1 CNC(=O)C 11a_106832991635_100015343762 [2,0,0,0,0,0|1,0,0]=3 1062 B4R0.1 CNC(=O)C 1626a_100102657272_100015343762 [2,0,0,0,0,0|1,0,0]=3 1063 B4R0.1 CNC(=O)C 240690a_100102657272_100015343762 [2,0,0,0,0,0|1,0,0]=3 1064 B4R0.1 CNC(=O)C 527a_100102657272_100103153847 [2,0,0,0,0,0|1,0,0]=3 1065 B4R0.1 [13CH3]C(=O)CO 1458a_100000210174_200025704644 [2,0,0,0,0,0|1,0,0]=3 1066 B4R0.2 C=CCNC 2230a_100020586998_200000210301 [2,0,0,0,0,0|1,0,1]=4 1067 B4R0.2 C=CCNC 2230a_106832991635_100000210623 [2,0,0,0,0,0|1,0,1]=4 1068 B4R0.2 C=CCNC 34a_100102657272_100015514636 [2,0,0,0,0,0|1,0,1]=4 1069 B4R0.2 C=CCNC 7a_106832991635_100015514636 [2,0,0,0,0,0|1,0,1]=4 1070 B4R0.2 C=CCN[13CH3] 2230a_100020586998_200025704644 [2,0,0,0,0,0|1,0,1]=4 1071 B4R0.2 C=CCOC 34a_100138415774_100015514636 [2,0,0,0,0,0|1,0,1]=4 1072 B4R0.2 C=CCOC 34a_200000210373_200000210301 [2,0,0,0,0,0|1,0,1]=4 1073 B4R0.2 C=CCO[13CH3] 34a_200000210373_200025704644 [2,0,0,0,0,0|1,0,1]=4 1074 B4R0.2 C=CCSC 62a_100000210623_200000210301 [2,0,0,0,0,0|1,0,1]=4 1075 B4R0.2 C=CCSC 62a_200000210301_100000210623 [2,0,0,0,0,0|1,0,1]=4 1076 B4R0.2 C=CCS[13CH3] 62a_100000210623_200025704644 [2,0,0,0,0,0|1,0,1]=4 1077 B4R0.2 C=CCS[13CH3] 62a_200025704644_100000210623 [2,0,0,0,0,0|1,0,1]=4 1078 B4R0.2 CCCNC 2230a_106832991635_100000210303 [2,0,0,0,0,0|1,0,1]=4 1079 B4R0.2 CCCNC 34a_100102657272_100000210303 [2,0,0,0,0,0|1,0,1]=4 1080 B4R0.2 CCCNC 7a_106832991635_100000210303 [2,0,0,0,0,0|1,0,1]=4 1081 B4R0.2 CCCOC 34a_100000210258_200000210301 [2,0,0,0,0,0|1,0,1]=4 1082 B4R0.2 CCCOC 34a_100138415774_100000210303 [2,0,0,0,0,0|1,0,1]=4 1083 B4R0.2 CCCO[13CH3] 34a_100000210258_200025704644 [2,0,0,0,0,0|1,0,1]=4 1084 B4R0.2 CCCSC 62a_100000210303_200000210301 [2,0,0,0,0,0|1,0,1]=4 1085 B4R0.2 CCCSC 62a_200000210301_100000210303 [2,0,0,0,0,0|1,0,1]=4 1086 B4R0.2 CCCS[13CH3] 62a_100000210303_200025704644 [2,0,0,0,0,0|1,0,1]=4 1087 B4R0.2 CCCS[13CH3] 62a_200025704644_100000210303 [2,0,0,0,0,0|1,0,1]=4 1088 B4R0.2 CCNCC 2230a_100015525214_100000210202 [2,0,0,0,0,0|1,0,1]=4 1089 B4R0.2 CCOCC 34a_100121572206_100000210202 [2,0,0,0,0,0|1,0,1]=4 1090 B4R0.2 CCSCC 62a_100000210202_100000210202 [2,0,0,0,0,0|1,0,1]=4 1091 B4R0.2 CNCC=O 2230a_106832991635_200015260668 [2,0,0,0,0,0|1,0,1]=4 1092 B4R0.2 CNCC=O 34a_100102657272_200009817547 [2,0,0,0,0,0|1,0,1]=4 1093 B4R0.2 CNCC=O 7a_106832991635_200015260668 [2,0,0,0,0,0|1,0,1]=4 1094 B4R0.2 COCC=O 34a_100138415774_200009817547 [2,0,0,0,0,0|1,0,1]=4 1095 B4R0.2 CSCC=O 62a_200000210301_200015260668 [2,0,0,0,0,0|1,0,1]=4 1096 B4R0.2 CSCC=O 62a_200015260668_200000210301 [2,0,0,0,0,0|1,0,1]=4 1097 B4R0.2 [13CH3]SCC=O 62a_200015260668_200025704644 [2,0,0,0,0,0|1,0,1]=4 1098 B4R0.2 [13CH3]SCC=O 62a_200025704644_200015260668 [2,0,0,0,0,0|1,0,1]=4 1099 B6R0.2 C=C(C)CC(=O)C 1458a_100000070787_100000748629 [1,1,0,0,0,0|0,0,1]=3 1100 B6R0.2 C=C(F)CC(=O)C 1458a_100000070787_100009893438 [1,1,0,0,0,0|0,0,2]=4 1101 B6R0.2 CC(=CC(=O)[13CH3])C 1458a_100000211388_200025704644 [1,1,0,0,0,0|0,0,0]=2 1102 B6R0.2 CC(=CC(=O)[13CH3])Cl 1458a_200042562850_200025704644 [1,1,0,0,0,0|0,0,0]=2 1103 B6R0.2 CC(=CC(=O)[13CH3])I 1458a_100025716642_200025704644 [1,1,0,0,0,0|0,0,0]=2 1104 B6R0.2 CC(=O)C=C(C)C 1458a_100000211388_200000210301 [1,1,0,0,0,0|0,0,0]=2 1105 B6R0.2 CC(=O)C=C(C)Cl 1458a_200042562850_200000210301 [1,1,0,0,0,0|0,0,0]=2 1106 B6R0.2 CC(=O)C=C(C)I 1458a_100025716642_200000210301 [1,1,0,0,0,0|0,0,0]=2 1107 B6R0.2 CC(=O)C=C(Cl)Cl 1458a_100000137448_200000210301 [1,1,0,0,0,0|1,0,0]=3 1108 B6R0.2 CC(=O)CC(=O)N 1458a_100000070787_100000187820 [1,1,0,0,0,0|1,0,1]=4 1109 B6R0.2 CC(=O)CC(=O)N 1458a_100134613110_200000210301 [1,1,0,0,0,0|1,0,1]=4 1110 B6R0.2 CC(=O)CC(=O)[O-] 1458a_100000070787_100020667443 [1,1,0,0,0,0|1,0,1]=4 1111 B6R0.2 CC(=O)CC(C)C 1458a_100000070787_100000210624 [1,1,0,0,0,0|0,0,2]=4 1112 B6R0.2 CC(=O)CC(C)C 1458a_100000210554_200000210301 [1,1,0,0,0,0|0,0,2]=4 1113 B6R0.2 CC(=O)CC(C)O 1458a_100000070787_100011218427 [1,1,0,0,0,0|0,0,2]=4 1114 B6R0.2 CC(=O)CN(C)C 1458a_100000750896_200000210301 [1,1,0,0,0,0|1,0,1]=4 1115 B6R0.2 CC(=O)C[C@@H](C)O 1458a_100011933948_200000210301 [1,1,0,0,0,0|0,0,2]=4 1116 B6R0.2 CC(=O)C[S+](C)C 1458a_200159257847_200000210301 [1,1,0,0,0,0|1,0,1]=4 1117 B6R0.2 CC(=O)NC(C)C 11a_100138425928_100015343762 [1,1,0,0,0,0|1,0,1]=4 1118 B6R0.2 CC(=O)NC(C)C 1626a_100138425928_100015343762 [1,1,0,0,0,0|1,0,1]=4 1119 B6R0.2 CC(=O)NC(C)C 240690a_100138425928_100015343762 [1,1,0,0,0,0|1,0,1]=4 1120 B6R0.2 CC(=O)NC(C)C 527a_100138425928_100103153847 [1,1,0,0,0,0|1,0,1]=4 1121 B6R0.2 CC(C)CC(=O)[13CH3] 1458a_100000210554_200025704644 [1,1,0,0,0,0|0,0,2]=4 1122 B6R0.2 CN(C)CC(=O)[13CH3] 1458a_100000750896_200025704644 [1,1,0,0,0,0|1,0,1]=4 1123 B6R0.2 C[C@@H](O)CC(=O)[13CH3] 1458a_100011933948_200025704644 [1,1,0,0,0,0|0,0,2]=4 1124 B6R0.2 C[S+](C)CC(=O)[13CH3] 1458a_200159257847_200025704644 [1,1,0,0,0,0|1,0,1]=4 1125 B6R0.2 [13CH3]C(=O)C=C(Cl)Cl 1458a_100000137448_200025704644 [1,1,0,0,0,0|1,0,0]=3 1126 B6R0.2 [13CH3]C(=O)CC(=O)N 1458a_100134613110_200025704644 [1,1,0,0,0,0|1,0,1]=4 1127 B6R0.3 C/C=C(\C)/C(=O)C 1458a_100020587367_200000210301 [1,1,0,0,0,0|0,0,0]=2 1128 B6R0.3 C/C=C(\C)/C(=O)[13CH3] 1458a_100020587367_200025704644 [1,1,0,0,0,0|0,0,0]=2 1129 B6R0.3 C=C(C)C(=O)CC 1458a_100000185857_100000210202 [1,1,0,0,0,0|1,0,1]=4 1130 B6R0.3 C=C(C)C(=O)NC 11a_106832991635_100000185857 [1,1,0,0,0,0|2,0,0]=4 1131 B6R0.3 C=C(C)C(=O)NC 1626a_100102657272_100000185857 [1,1,0,0,0,0|2,0,0]=4 1132 B6R0.3 C=CC(C)C(=O)C 1458a_100011216780_200000210301 [1,1,0,0,0,0|0,0,2]=4 1133 B6R0.3 C=CC(C)C(=O)[13CH3] 1458a_100011216780_200025704644 [1,1,0,0,0,0|0,0,2]=4 1134 B6R0.3 CC(=O)C(C)O[13CH3] 34a_100000212229_200025704644 [1,1,0,0,0,0|1,0,1]=4 1135 B6R0.3 CC(=O)C(C)S[13CH3] 62a_100009814033_200025704644 [1,1,0,0,0,0|1,0,1]=4 1136 B6R0.3 CC(=O)C(C)S[13CH3] 62a_200025704644_100009814033 [1,1,0,0,0,0|1,0,1]=4 1137 B6R0.3 CCC(C)C(=O)C 1458a_100000070787_100000758301 [1,1,0,0,0,0|0,0,2]=4 1138 B6R0.3 CCC(C)C(=O)C 1458a_100011192722_200000210301 [1,1,0,0,0,0|0,0,2]=4 1139 B6R0.3 CCC(C)C(=O)[13CH3] 1458a_100011192722_200025704644 [1,1,0,0,0,0|0,0,2]=4 1140 B6R0.3 CCC(O)C(=O)C 1458a_100011196387_200000210301 [1,1,0,0,0,0|0,0,2]=4 1141 B6R0.3 CCC(O)C(=O)[13CH3] 1458a_100011196387_200025704644 [1,1,0,0,0,0|0,0,2]=4 1142 B6R0.3 CCN(C)C(=O)C 11a_100000225621_100015343762 [1,1,0,0,0,0|1,0,1]=4 1143 B6R0.3 CCN(C)C(=O)C 1626a_100000225621_100015343762 [1,1,0,0,0,0|1,0,1]=4 1144 B6R0.3 CCN(C)C(=O)C 240690a_100000225621_100015343762 [1,1,0,0,0,0|1,0,1]=4 1145 B6R0.3 CCN(C)C(=O)C 527a_100000225621_100103153847 [1,1,0,0,0,0|1,0,1]=4 1146 B6R0.3 CNC(=O)C(=O)C 1458a_100011218921_200000210301 [1,1,0,0,0,0|1,0,0]=3 1147 B6R0.3 CNC(=O)C(=O)N 240690a_100102657272_100011215815 [1,1,0,0,0,0|2,0,0]=4 1148 B6R0.3 CNC(=O)C(=O)[13CH3] 1458a_100011218921_200025704644 [1,1,0,0,0,0|1,0,0]=3 1149 B6R0.3 CNC(C)C(=O)C 2230a_106832991635_100009814033 [1,1,0,0,0,0|1,0,1]=4 1150 B6R0.3 CNC(C)C(=O)C 7a_106832991635_100000179758 [1,1,0,0,0,0|1,0,1]=4 1151 B6R0.3 COC(C)C(=O)C 1458a_100000743197_200000210301 [1,1,0,0,0,0|1,0,1]=4 1152 B6R0.3 COC(C)C(=O)C 34a_100000212229_200000210301 [1,1,0,0,0,0|1,0,1]=4 1153 B6R0.3 COC(C)C(=O)[13CH3] 1458a_100000743197_200025704644 [1,1,0,0,0,0|1,0,1]=4 1154 B6R0.3 CSC(C)C(=O)C 1458a_100000149566_200000210301 [1,1,0,0,0,0|1,0,1]=4 1155 B6R0.3 CSC(C)C(=O)C 62a_100009814033_200000210301 [1,1,0,0,0,0|1,0,1]=4 1156 B6R0.3 CSC(C)C(=O)C 62a_200000210301_100009814033 [1,1,0,0,0,0|1,0,1]=4 1157 B6R0.3 CSC(C)C(=O)[13CH3] 1458a_100000149566_200025704644 [1,1,0,0,0,0|1,0,1]=4 1158 B6R0.4 C/C=C/CC(=O)C 1458a_100000070787_100102629194 [1,1,0,0,0,0|0,0,0]=2 1159 B6R0.4 C/C=C/CN(C)C 269982a_100102631434_100102629194 [1,1,0,0,0,0|2,0,0]=4 1160 B6R0.4 C=CC=CC(=O)C 1458a_100016291481_200000210301 [1,1,0,0,0,0|0,0,1]=3 1161 B6R0.4 C=CC=CC(=O)[13CH3] 1458a_100016291481_200025704644 [1,1,0,0,0,0|0,0,1]=3 1162 B6R0.4 C=CCCC(=O)C 1458a_100000070787_100000754431 [1,1,0,0,0,0|0,0,2]=4 1163 B6R0.4 C=CCCC(=O)C 1458a_100000749702_200000210301 [1,1,0,0,0,0|0,0,2]=4 1164 B6R0.4 C=CCCC(=O)[13CH3] 1458a_100000749702_200025704644 [1,1,0,0,0,0|0,0,2]=4 1165 B6R0.4 C=CCNC(=O)C 1626a_100020586998_100015343762 [1,1,0,0,0,0|0,0,2]=4 1166 B6R0.4 C=CCNC(=O)C 240690a_100020586998_100015343762 [1,1,0,0,0,0|0,0,2]=4 1167 B6R0.4 C=CCNC(=O)C 527a_100020586998_100103153847 [1,1,0,0,0,0|0,0,2]=4 1168 B6R0.4 CC#CCC(=O)C 1458a_100000070787_100000748600 [1,1,0,0,0,0|0,0,2]=4 1169 B6R0.4 CC(=CCN[13CH3])C 34a_100000718196_200025704644 [1,1,0,0,0,0|1,0,1]=4 1170 B6R0.4 CC(=CCO[13CH3])C 34a_100000753907_200025704644 [1,1,0,0,0,0|1,0,1]=4 1171 B6R0.4 CC(=CCS[13CH3])C 62a_100000761012_200025704644 [1,1,0,0,0,0|1,0,1]=4 1172 B6R0.4 CC(=CCS[13CH3])C 62a_200025704644_100000761012 [1,1,0,0,0,0|1,0,1]=4 1173 B6R0.4 CC(=O)C#CCO 1458a_100000049017_200000210301 [1,1,0,0,0,0|0,0,2]=4 1174 B6R0.4 CC(=O)CCCF 1458a_100000070787_100011934791 [1,1,0,0,0,0|0,0,2]=4 1175 B6R0.4 CC(=O)CCCO 1458a_100000070787_100011215043 [1,1,0,0,0,0|0,0,2]=4 1176 B6R0.4 CC(=O)CCO[13CH3] 34a_100000759926_200025704644 [1,1,0,0,0,0|0,0,2]=4 1177 B6R0.4 CC(=O)CCO[13CH3] 7a_100000759926_200025704644 [1,1,0,0,0,0|0,0,2]=4 1178 B6R0.4 CC(=O)CCS[13CH3] 62a_100000053229_200025704644 [1,1,0,0,0,0|0,0,2]=4 1179 B6R0.4 CC(=O)CCS[13CH3] 62a_200025704644_100000053229 [1,1,0,0,0,0|0,0,2]=4 1180 B6R0.4 CC(=O)COCF 34a_100000211253_100015361967 [1,1,0,0,0,0|1,0,1]=4 1181 B6R0.4 CC(=O)NCCF 11a_100000724931_100015343762 [1,1,0,0,0,0|1,0,1]=4 1182 B6R0.4 CC(=O)NCCF 1626a_100000724931_100015343762 [1,1,0,0,0,0|1,0,1]=4 1183 B6R0.4 CC(=O)NCCF 240690a_100000724931_100015343762 [1,1,0,0,0,0|1,0,1]=4 1184 B6R0.4 CC(=O)NCCF 527a_100000724931_100103153847 [1,1,0,0,0,0|1,0,1]=4 1185 B6R0.4 CC(=O)NCCO 240690a_100000210304_100015343762 [1,1,0,0,0,0|1,0,1]=4 1186 B6R0.4 CC(=O)NCCO 527a_100000210304_100103153847 [1,1,0,0,0,0|1,0,1]=4 1187 B6R0.4 CC(=O)OCS[13CH3] 62a_100000076356_200025704644 [1,1,0,0,0,0|1,0,1]=4 1188 B6R0.4 CC(=O)OCS[13CH3] 62a_200025704644_100000076356 [1,1,0,0,0,0|1,0,1]=4 1189 B6R0.4 CC=CCC(=O)C 1458a_100000070787_100000070051 [1,1,0,0,0,0|0,0,0]=2 1190 B6R0.4 CC=CCC(=O)C 1458a_100121576822_200000210301 [1,1,0,0,0,0|0,0,0]=2 1191 B6R0.4 CC=CCC(=O)[13CH3] 1458a_100121576822_200025704644 [1,1,0,0,0,0|0,0,0]=2 1192 B6R0.4 CC=CCN(C)C 2230a_100102631434_100000070051 [1,1,0,0,0,0|2,0,0]=4 1193 B6R0.4 CC=NNC(=O)C 4a_100000189765_200000210099 [1,1,0,0,0,0|1,0,0]=3 1194 B6R0.4 CCC#CC(=O)C 1458a_100011827653_200000210301 [1,1,0,0,0,0|0,0,2]=4 1195 B6R0.4 CCC#CC(=O)[13CH3] 1458a_100011827653_200025704644 [1,1,0,0,0,0|0,0,2]=4 1196 B6R0.4 CCC=CC(=O)C 1458a_100000212282_200000210301 [1,1,0,0,0,0|0,0,0]=2 1197 B6R0.4 CCC=CC(=O)[13CH3] 1458a_100000212282_200025704644 [1,1,0,0,0,0|0,0,0]=2 1198 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [1,1,0,0,0,0|0,0,2]=4 1199 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [1,1,0,0,0,0|0,0,2]=4 1200 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [1,1,0,0,0,0|0,0,2]=4 1201 B6R0.4 CCCNC(=O)C 11a_100020643023_100015343762 [1,1,0,0,0,0|0,0,2]=4 1202 B6R0.4 CCCNC(=O)C 1626a_100020643023_100015343762 [1,1,0,0,0,0|0,0,2]=4 1203 B6R0.4 CCCNC(=O)C 240690a_100020643023_100015343762 [1,1,0,0,0,0|0,0,2]=4 1204 B6R0.4 CCCNC(=O)C 527a_100020643023_100103153847 [1,1,0,0,0,0|0,0,2]=4 1205 B6R0.4 CCNNC(=O)C 22a_100000756455_100000070787 [1,1,0,0,0,0|1,0,1]=4 1206 B6R0.4 CCOCC(=O)C 1458a_100000211967_200000210301 [1,1,0,0,0,0|0,0,2]=4 1207 B6R0.4 CCOCC(=O)C 34a_100000211253_100000210202 [1,1,0,0,0,0|0,0,2]=4 1208 B6R0.4 CCOCC(=O)[13CH3] 1458a_100000211967_200025704644 [1,1,0,0,0,0|0,0,2]=4 1209 B6R0.4 CCSCC(=O)C 1458a_100000230394_200000210301 [1,1,0,0,0,0|0,0,2]=4 1210 B6R0.4 CCSCC(=O)[13CH3] 1458a_100000230394_200025704644 [1,1,0,0,0,0|0,0,2]=4 1211 B6R0.4 CNCC=C(C)C 2230a_106832991635_100000761012 [1,1,0,0,0,0|1,0,1]=4 1212 B6R0.4 CNCC=C(C)C 34a_100000718196_200000210301 [1,1,0,0,0,0|1,0,1]=4 1213 B6R0.4 CNCC=C(C)C 34a_100102657272_100000761012 [1,1,0,0,0,0|1,0,1]=4 1214 B6R0.4 CNCC=C(C)C 7a_106832991635_100000761012 [1,1,0,0,0,0|1,0,1]=4 1215 B6R0.4 CNCCC(=O)C 7a_106832991635_100000053229 [1,1,0,0,0,0|0,0,2]=4 1216 B6R0.4 CNCOC(=O)C 34a_100102657272_100009813279 [1,1,0,0,0,0|1,0,1]=4 1217 B6R0.4 COC=CC(=O)C 1458a_100016268678_200000210301 [1,1,0,0,0,0|0,0,0]=2 1218 B6R0.4 COC=CC(=O)[13CH3] 1458a_100016268678_200025704644 [1,1,0,0,0,0|0,0,0]=2 1219 B6R0.4 COCC=C(C)C 34a_100000753907_200000210301 [1,1,0,0,0,0|1,0,1]=4 1220 B6R0.4 COCC=C(C)C 34a_100138415774_100000761012 [1,1,0,0,0,0|1,0,1]=4 1221 B6R0.4 COCCC(=O)C 1458a_100000070787_100000233755 [1,1,0,0,0,0|0,0,2]=4 1222 B6R0.4 COCCC(=O)C 1458a_100000749529_200000210301 [1,1,0,0,0,0|0,0,2]=4 1223 B6R0.4 COCCC(=O)C 34a_100000759926_200000210301 [1,1,0,0,0,0|0,0,2]=4 1224 B6R0.4 COCCC(=O)C 7a_100000759926_200000210301 [1,1,0,0,0,0|0,0,2]=4 1225 B6R0.4 COCCC(=O)[13CH3] 1458a_100000749529_200025704644 [1,1,0,0,0,0|0,0,2]=4 1226 B6R0.4 COCOC(=O)C 34a_100138415774_100009813279 [1,1,0,0,0,0|1,0,1]=4 1227 B6R0.4 CSCC=C(C)C 62a_100000761012_200000210301 [1,1,0,0,0,0|1,0,1]=4 1228 B6R0.4 CSCC=C(C)C 62a_200000210301_100000761012 [1,1,0,0,0,0|1,0,1]=4 1229 B6R0.4 CSCCC(=O)C 1458a_100000070787_100000751147 [1,1,0,0,0,0|0,0,2]=4 1230 B6R0.4 CSCCC(=O)C 1458a_100000174002_200000210301 [1,1,0,0,0,0|0,0,2]=4 1231 B6R0.4 CSCCC(=O)C 62a_100000053229_200000210301 [1,1,0,0,0,0|0,0,2]=4 1232 B6R0.4 CSCCC(=O)C 62a_200000210301_100000053229 [1,1,0,0,0,0|0,0,2]=4 1233 B6R0.4 CSCCC(=O)[13CH3] 1458a_100000174002_200025704644 [1,1,0,0,0,0|0,0,2]=4 1234 B6R0.4 CSCOC(=O)C 62a_100000076356_200000210301 [1,1,0,0,0,0|1,0,1]=4 1235 B6R0.4 CSCOC(=O)C 62a_200000210301_100000076356 [1,1,0,0,0,0|1,0,1]=4 1236 B6R0.4 [13CH3]C(=O)C#CCO 1458a_100000049017_200025704644 [1,1,0,0,0,0|0,0,2]=4 1237 B6R0.6 C/C=C/CCOC 34a_100016278192_200000210301 [1,1,0,0,0,0|0,0,1]=3 1238 B6R0.6 C/C=C/CCO[13CH3] 34a_100016278192_200025704644 [1,1,0,0,0,0|0,0,1]=3 1239 B6R0.6 C/C=C/COCC 34a_100016270725_100000210202 [1,1,0,0,0,0|0,0,1]=3 1240 B6R0.6 C/C=C/COCC 34a_100121572206_100102629194 [1,1,0,0,0,0|0,0,1]=3 1241 B6R0.6 C/C=C/COCF 34a_100016270725_100015361967 [1,1,0,0,0,0|1,0,1]=4 1242 B6R0.6 C/C=C/CSCC 62a_100000210202_100102629194 [1,1,0,0,0,0|0,0,1]=3 1243 B6R0.6 C/C=C/CSCC 62a_100102629194_100000210202 [1,1,0,0,0,0|0,0,1]=3 1244 B6R0.6 C/C=C/CSCF 62a_100015361967_100102629194 [1,1,0,0,0,0|1,0,1]=4 1245 B6R0.6 C/C=C/CSCF 62a_100102629194_100015361967 [1,1,0,0,0,0|1,0,1]=4 1246 B6R0.6 CC/C=C\CNC 2230a_106832991635_100103147603 [1,1,0,0,0,0|0,0,1]=3 1247 B6R0.6 CC/C=C\CNC 34a_100102657272_100103147603 [1,1,0,0,0,0|0,0,1]=3 1248 B6R0.6 CC/C=C\CNC 7a_106832991635_100103147603 [1,1,0,0,0,0|0,0,1]=3 1249 B6R0.6 CC/C=C\COC 34a_100016268518_200000210301 [1,1,0,0,0,0|0,0,1]=3 1250 B6R0.6 CC/C=C\COC 34a_100138415774_100103147603 [1,1,0,0,0,0|0,0,1]=3 1251 B6R0.6 CC/C=C\CO[13CH3] 34a_100016268518_200025704644 [1,1,0,0,0,0|0,0,1]=3 1252 B6R0.6 CC/C=C\CSC 62a_100103147603_200000210301 [1,1,0,0,0,0|0,0,1]=3 1253 B6R0.6 CC/C=C\CSC 62a_200000210301_100103147603 [1,1,0,0,0,0|0,0,1]=3 1254 B6R0.6 CC/C=C\CS[13CH3] 62a_100103147603_200025704644 [1,1,0,0,0,0|0,0,1]=3 1255 B6R0.6 CC/C=C\CS[13CH3] 62a_200025704644_100103147603 [1,1,0,0,0,0|0,0,1]=3 1256 B6R0.6 CC=CCNCC 2230a_100015525214_100000070051 [1,1,0,0,0,0|0,0,1]=3 1257 B6R0.6 CC=CCOCC 34a_100121572206_100000070051 [1,1,0,0,0,0|0,0,1]=3 1258 B6R0.6 CC=CCSCC 62a_100000070051_100000210202 [1,1,0,0,0,0|0,0,1]=3 1259 B6R0.6 CC=CCSCC 62a_100000210202_100000070051 [1,1,0,0,0,0|0,0,1]=3 1260 B6R0.6 CC=CCSCF 62a_100000070051_100015361967 [1,1,0,0,0,0|1,0,1]=4 1261 B6R0.6 CC=CCSCF 62a_100015361967_100000070051 [1,1,0,0,0,0|1,0,1]=4 1262 B6R0.6 CC=NNCCC 4a_100000740057_200000210099 [1,1,0,0,0,0|1,0,1]=4 1263 B6R0.6 CC=NNCCO 4a_100000210001_200000210099 [1,1,0,0,0,0|2,0,0]=4 1264 B6R0.6 CCC=NNCC 4a_100000756455_100000210100 [1,1,0,0,0,0|1,0,1]=4 1265 B6R0.8 CCS(=O)(=O)NC 270084a_100102657272_100000211323 [1,1,0,0,0,0|2,0,0]=4 1266 B6R0.8 CCS(=O)(=O)NC 274078a_100102657272_100000211323 [1,1,0,0,0,0|2,0,0]=4 1267 B6R0.8 CCS(=O)(=O)NC 40a_100102657272_100000053943 [1,1,0,0,0,0|2,0,0]=4 1268 B6R0.9 C=CC(CC)OC 34a_100000766422_200000210301 [1,1,0,0,0,0|0,0,2]=4 1269 B6R0.9 C=CC(CC)OC 7a_100000766422_200000210301 [1,1,0,0,0,0|0,0,2]=4 1270 B6R0.9 C=CC(CC)O[13CH3] 34a_100000766422_200025704644 [1,1,0,0,0,0|0,0,2]=4 1271 B6R0.9 C=CC(CC)O[13CH3] 7a_100000766422_200025704644 [1,1,0,0,0,0|0,0,2]=4 1272 B8R0.2 C/C=C(\C)/C(=O)C(C)C 1458a_100020587367_100000210206 [0,2,0,0,0,0|0,0,0]=2 1273 B8R0.2 C/C=C(\C)/C(=O)N(C)C 11a_100102631434_100020587367 [0,2,0,0,0,0|1,0,0]=3 1274 B8R0.2 C/C=C(\C)/C(=O)N(C)C 1626a_100102631434_100020587367 [0,2,0,0,0,0|1,0,0]=3 1275 B8R0.2 C=C(C)C(=O)C(C)CC 1458a_100000185857_100000758301 [0,2,0,0,0,0|1,0,1]=4 1276 B8R0.2 C=C(C)C(=O)N(C)CC 11a_100000225621_100000185857 [0,2,0,0,0,0|2,0,0]=4 1277 B8R0.2 C=C(C)C(=O)N(C)CC 1626a_100000225621_100000185857 [0,2,0,0,0,0|2,0,0]=4 1278 B8R0.2 C=CC(C)C(=O)C(C)C 1458a_100011216780_100000210206 [0,2,0,0,0,0|0,0,2]=4 1279 B8R0.2 CC(=O)C(C)C(=O)CO 1458a_100000210174_100000179758 [0,2,0,0,0,0|1,0,1]=4 1280 B8R0.2 CC(C)C(=O)C(C)S[13CH3] 62a_100009893295_200025704644 [0,2,0,0,0,0|1,0,1]=4 1281 B8R0.2 CC(C)C(=O)C(C)S[13CH3] 62a_200025704644_100009893295 [0,2,0,0,0,0|1,0,1]=4 1282 B8R0.2 CCC(=O)C(=O)N(C)C 1458a_100011218876_100000210202 [0,2,0,0,0,0|1,0,0]=3 1283 B8R0.2 CCC(=O)C(C)C(=O)C 1458a_100000070787_100000742827 [0,2,0,0,0,0|0,0,1]=3 1284 B8R0.2 CCC(=O)C(C)C(=O)C 1458a_100000210414_100000179758 [0,2,0,0,0,0|0,0,1]=3 1285 B8R0.2 CCC(=O)C(C)C(=O)N 1458a_100000210414_100000702099 [0,2,0,0,0,0|1,0,1]=4 1286 B8R0.2 CCC(=O)C(C)C(C)C 1458a_100000755409_100000210202 [0,2,0,0,0,0|0,0,2]=4 1287 B8R0.2 CCC(=O)C(C)N(C)C 2230a_100102631434_100000742827 [0,2,0,0,0,0|1,0,1]=4 1288 B8R0.2 CCC(=O)C(C)N(C)C 269982a_100102631434_100000742827 [0,2,0,0,0,0|1,0,1]=4 1289 B8R0.2 CCC(=O)C(F)C(=O)N 1458a_100000210414_100009813875 [0,2,0,0,0,0|1,0,1]=4 1290 B8R0.2 CCC(=O)C(F)C(=O)[O-] 1458a_100000210414_100020610796 [0,2,0,0,0,0|1,0,1]=4 1291 B8R0.2 CCC(=O)N(C)C(C)C 11a_200000211004_100000210414 [0,2,0,0,0,0|1,0,1]=4 1292 B8R0.2 CCC(=O)N(C)C(C)C 1626a_200000211004_100000210414 [0,2,0,0,0,0|1,0,1]=4 1293 B8R0.2 CCC(=O)N(C)C(C)C 240690a_200000211004_100000210414 [0,2,0,0,0,0|1,0,1]=4 1294 B8R0.2 CCC(=O)N(C)C(C)C 527a_200000211004_100000210414 [0,2,0,0,0,0|1,0,1]=4 1295 B8R0.2 CCC(=O)[C@H](C)N(C)C 1458a_100009822176_100000210202 [0,2,0,0,0,0|1,0,1]=4 1296 B8R0.2 CCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000210202 [0,2,0,0,0,0|0,0,2]=4 1297 B8R0.2 CCC(C)C(=O)C(C)C 1458a_100000210198_100000758301 [0,2,0,0,0,0|0,0,2]=4 1298 B8R0.2 CCC(C)C(=O)C(C)C 1458a_100011192722_100000210206 [0,2,0,0,0,0|0,0,2]=4 1299 B8R0.2 CCC(C)C(=O)C(C)F 1458a_100000062450_100000758301 [0,2,0,0,0,0|0,0,2]=4 1300 B8R0.2 CCC(C)C(=O)[C@@H](C)O 1458a_100000717761_100000758301 [0,2,0,0,0,0|0,0,2]=4 1301 B8R0.2 CCC(C)C(=O)[C@H](C)O 1458a_217856618621_100000758301 [0,2,0,0,0,0|0,0,2]=4 1302 B8R0.2 CCC(O)C(=O)C(C)C 1458a_100011196387_100000210206 [0,2,0,0,0,0|0,0,2]=4 1303 B8R0.2 CCN(C)C(=O)C(C)C 11a_100000225621_100000210198 [0,2,0,0,0,0|1,0,1]=4 1304 B8R0.2 CCN(C)C(=O)C(C)C 1626a_100000225621_100000210198 [0,2,0,0,0,0|1,0,1]=4 1305 B8R0.2 CCN(C)C(=O)C(C)C 240690a_100000225621_100000210198 [0,2,0,0,0,0|1,0,1]=4 1306 B8R0.2 CCN(C)C(=O)C(C)C 527a_100000225621_100000210198 [0,2,0,0,0,0|1,0,1]=4 1307 B8R0.2 CCN(C)C(=O)C(C)F 11a_100000225621_100000062450 [0,2,0,0,0,0|1,0,1]=4 1308 B8R0.2 CCN(C)C(=O)C(C)F 1626a_100000225621_100000062450 [0,2,0,0,0,0|1,0,1]=4 1309 B8R0.2 CCN(C)C(=O)C(C)F 240690a_100000225621_100000062450 [0,2,0,0,0,0|1,0,1]=4 1310 B8R0.2 CCN(C)C(=O)C(C)F 527a_100000225621_100000062450 [0,2,0,0,0,0|1,0,1]=4 1311 B8R0.2 CCN(C)C(=O)[C@@H](C)O 240690a_100000225621_100000717761 [0,2,0,0,0,0|1,0,1]=4 1312 B8R0.2 CCN(C)C(=O)[C@H](C)O 1626a_100000225621_217856618621 [0,2,0,0,0,0|1,0,1]=4 1313 B8R0.2 CCN(C)C(=O)[C@H](C)O 240690a_100000225621_217856618621 [0,2,0,0,0,0|1,0,1]=4 1314 B8R0.2 CN(C)C(=O)C(=O)CF 1458a_100011218876_100015361967 [0,2,0,0,0,0|2,0,0]=4 1315 B8R0.2 CNC(=O)C(=C(Cl)Cl)Cl 11a_106832991635_100000031907 [0,2,0,0,0,0|2,0,0]=4 1316 B8R0.2 CNC(=O)C(=C(Cl)Cl)Cl 1626a_100102657272_100000031907 [0,2,0,0,0,0|2,0,0]=4 1317 B8R0.2 CNC(=O)C(=C(Cl)Cl)Cl 240690a_100102657272_100000031907 [0,2,0,0,0,0|2,0,0]=4 1318 B8R0.2 CNC(=O)C(=O)C(C)C 1458a_100011218921_100000210206 [0,2,0,0,0,0|1,0,0]=3 1319 B8R0.2 CNC(=O)C(=O)N(C)C 1626a_100102631434_100011218921 [0,2,0,0,0,0|2,0,0]=4 1320 B8R0.2 CNC(=O)C(=O)N(C)C 1626a_100102657272_100011218876 [0,2,0,0,0,0|2,0,0]=4 1321 B8R0.2 CNC(=O)C(=O)N(C)C 240690a_100102631434_100011218921 [0,2,0,0,0,0|2,0,0]=4 1322 B8R0.2 CNC(=O)C(=O)N(C)C 240690a_100102657272_100011218876 [0,2,0,0,0,0|2,0,0]=4 1323 B8R0.2 CNC(=O)C(=O)N(C)C 527a_100102631434_100011218921 [0,2,0,0,0,0|2,0,0]=4 1324 B8R0.2 CNC(=O)C(=O)N(C)C 527a_100102657272_100011218876 [0,2,0,0,0,0|2,0,0]=4 1325 B8R0.2 CNC(=O)C(C)C(=O)C 1458a_100000070787_100000209862 [0,2,0,0,0,0|1,0,1]=4 1326 B8R0.2 CNC(=O)C(F)C(=O)C 1458a_100000070787_100009813575 [0,2,0,0,0,0|1,0,1]=4 1327 B8R0.2 CNC(C)C(=O)C(C)C 2230a_106832991635_100009893295 [0,2,0,0,0,0|1,0,1]=4 1328 B8R0.2 CNC(C)C(=O)C(C)C 7a_106832991635_100009893295 [0,2,0,0,0,0|1,0,1]=4 1329 B8R0.2 COC(=O)C(=O)N(C)C 11a_100102631434_100000024059 [0,2,0,0,0,0|2,0,0]=4 1330 B8R0.2 COC(=O)C(=O)N(C)C 1626a_100102631434_100000024059 [0,2,0,0,0,0|2,0,0]=4 1331 B8R0.2 COC(=O)C(=O)N(C)C 240690a_100102631434_100000024059 [0,2,0,0,0,0|2,0,0]=4 1332 B8R0.2 COC(=O)C(=O)N(C)C 527a_100102631434_100000024059 [0,2,0,0,0,0|2,0,0]=4 1333 B8R0.2 COC(=O)C(C)C(=O)C 1458a_100000070787_100000211248 [0,2,0,0,0,0|1,0,1]=4 1334 B8R0.2 COC(=O)C(C)C(=O)C 1458a_100012027023_200000210301 [0,2,0,0,0,0|1,0,1]=4 1335 B8R0.2 COC(=O)C(C)C(=O)[13CH3] 1458a_100012027023_200025704644 [0,2,0,0,0,0|1,0,1]=4 1336 B8R0.2 COC(C)C(=O)C(C)C 1458a_100000743197_100000210206 [0,2,0,0,0,0|1,0,1]=4 1337 B8R0.2 CSC(C)C(=O)C(C)C 1458a_100000149566_100000210206 [0,2,0,0,0,0|1,0,1]=4 1338 B8R0.2 CSC(C)C(=O)C(C)C 62a_100009893295_200000210301 [0,2,0,0,0,0|1,0,1]=4 1339 B8R0.2 CSC(C)C(=O)C(C)C 62a_200000210301_100009893295 [0,2,0,0,0,0|1,0,1]=4 1340 B8R0.5 C#CCC(=O)C=C(C)C 1458a_100000211388_100000184674 [0,2,0,0,0,0|0,0,1]=3 1341 B8R0.5 C#CCC(=O)C=C(C)Cl 1458a_200042562850_100000184674 [0,2,0,0,0,0|0,0,1]=3 1342 B8R0.5 C#CCC(=O)C=C(C)I 1458a_100025716642_100000184674 [0,2,0,0,0,0|0,0,1]=3 1343 B8R0.5 C#CCC(=O)C=C(Cl)Cl 1458a_100000137448_100000184674 [0,2,0,0,0,0|1,0,1]=4 1344 B8R0.5 C#CCC(=O)CC(=C)C 1458a_100011220946_100000748629 [0,2,0,0,0,0|0,0,2]=4 1345 B8R0.5 C/C=C/C(C)OC(C)C 34a_200102604097_100000210206 [0,2,0,0,0,0|1,0,1]=4 1346 B8R0.5 C=C(C)CC(=O)C#CC 1458a_100000763181_100000748629 [0,2,0,0,0,0|0,0,2]=4 1347 B8R0.5 C=C(C)CC(=O)C=CBr 1458a_100016273825_100000748629 [0,2,0,0,0,0|1,0,0]=3 1348 B8R0.5 C=C(C)CC(=O)C=CC 1458a_100000210699_100000748629 [0,2,0,0,0,0|0,0,0]=2 1349 B8R0.5 C=C(C)CC(=O)C=CCl 1458a_200016279998_100000748629 [0,2,0,0,0,0|1,0,0]=3 1350 B8R0.5 C=C(C)CC(=O)C=CI 1458a_100016256311_100000748629 [0,2,0,0,0,0|1,0,0]=3 1351 B8R0.5 C=C(C)CC(=O)CC#N 1458a_100051588842_100000748629 [0,2,0,0,0,0|0,0,2]=4 1352 B8R0.5 C=C(C)CC(=O)CCC 1458a_100000211992_100000748629 [0,2,0,0,0,0|0,0,1]=3 1353 B8R0.5 C=C(C)CC(=O)CCO 1458a_100011216618_100000748629 [0,2,0,0,0,0|0,0,1]=3 1354 B8R0.5 C=C(C)CC(=O)COC 1458a_100000210968_100000748629 [0,2,0,0,0,0|0,0,1]=3 1355 B8R0.5 C=C(C)CC(=O)CSC 1458a_100000184570_100000748629 [0,2,0,0,0,0|0,0,1]=3 1356 B8R0.5 C=C(CCC)CC(=O)C 1458a_100000138376_200000210301 [0,2,0,0,0,0|1,0,1]=4 1357 B8R0.5 C=C(CCC)CC(=O)[13CH3] 1458a_100000138376_200025704644 [0,2,0,0,0,0|1,0,1]=4 1358 B8R0.5 C=C(F)CC(=O)C=CBr 1458a_100016273825_100009893438 [0,2,0,0,0,0|1,0,1]=4 1359 B8R0.5 C=C(F)CC(=O)C=CC 1458a_100000210699_100009893438 [0,2,0,0,0,0|0,0,1]=3 1360 B8R0.5 C=C(F)CC(=O)C=CCl 1458a_200016279998_100009893438 [0,2,0,0,0,0|1,0,1]=4 1361 B8R0.5 C=C(F)CC(=O)C=CI 1458a_100016256311_100009893438 [0,2,0,0,0,0|1,0,1]=4 1362 B8R0.5 C=C(F)CC(=O)CCC 1458a_100000211992_100009893438 [0,2,0,0,0,0|0,0,2]=4 1363 B8R0.5 C=C(F)CC(=O)CCO 1458a_100011216618_100009893438 [0,2,0,0,0,0|0,0,2]=4 1364 B8R0.5 C=C(F)CC(=O)COC 1458a_100000210968_100009893438 [0,2,0,0,0,0|0,0,2]=4 1365 B8R0.5 C=C(F)CC(=O)CSC 1458a_100000184570_100009893438 [0,2,0,0,0,0|0,0,2]=4 1366 B8R0.5 C=CCC(=O)C=C(C)C 1458a_100000211388_100000210623 [0,2,0,0,0,0|0,0,1]=3 1367 B8R0.5 C=CCC(=O)C=C(C)Cl 1458a_200042562850_100000210623 [0,2,0,0,0,0|0,0,1]=3 1368 B8R0.5 C=CCC(=O)C=C(C)I 1458a_100025716642_100000210623 [0,2,0,0,0,0|0,0,1]=3 1369 B8R0.5 C=CCC(=O)C=C(Cl)Cl 1458a_100000137448_100000210623 [0,2,0,0,0,0|1,0,1]=4 1370 B8R0.5 C=CCC(=O)CC(=C)C 1458a_100000210193_100000748629 [0,2,0,0,0,0|0,0,2]=4 1371 B8R0.5 C=CCC(=O)CC(C)C 1458a_100000210193_100000210624 [0,2,0,0,0,0|0,0,2]=4 1372 B8R0.5 C=CCC(=O)CC(C)C 1458a_100000210554_100000210623 [0,2,0,0,0,0|0,0,2]=4 1373 B8R0.5 C=CCC(=O)CC(C)O 1458a_100000210193_100011218427 [0,2,0,0,0,0|0,0,2]=4 1374 B8R0.5 C=CCC(=O)CC(F)F 1458a_100000210193_100011934356 [0,2,0,0,0,0|0,0,2]=4 1375 B8R0.5 C=CCC(=O)CN(C)C 1458a_100000750896_100000210623 [0,2,0,0,0,0|0,0,2]=4 1376 B8R0.5 C=CCC(=O)C[C@@H](C)O 1458a_100011933948_100000210623 [0,2,0,0,0,0|0,0,2]=4 1377 B8R0.5 C=CCC(=O)C[S+](C)C 1458a_200159257847_100000210623 [0,2,0,0,0,0|0,0,2]=4 1378 B8R0.5 C=CCC(=O)NC(C)C 11a_100138425928_100000210193 [0,2,0,0,0,0|0,0,2]=4 1379 B8R0.5 C=CCC(=O)NC(C)C 1626a_100138425928_100000210193 [0,2,0,0,0,0|0,0,2]=4 1380 B8R0.5 C=CCC(=O)NC(C)C 240690a_100138425928_100000210193 [0,2,0,0,0,0|0,0,2]=4 1381 B8R0.5 C=CCC(=O)NC(C)C 527a_100138425928_100000210193 [0,2,0,0,0,0|0,0,2]=4 1382 B8R0.5 C=COC(=O)CC(=O)C 1458a_100000070787_100000036128 [0,2,0,0,0,0|1,0,1]=4 1383 B8R0.5 C=COC(=O)CN(C)C 2230a_100102631434_100000036128 [0,2,0,0,0,0|1,0,1]=4 1384 B8R0.5 C=COC(=O)CN(C)C 269982a_100102631434_100000036128 [0,2,0,0,0,0|1,0,1]=4 1385 B8R0.5 CC#CC(=O)CC(C)C 1458a_100000763181_100000210624 [0,2,0,0,0,0|0,0,2]=4 1386 B8R0.5 CC#CC(=O)CC(C)O 1458a_100000763181_100011218427 [0,2,0,0,0,0|0,0,2]=4 1387 B8R0.5 CC#CC(=O)CC(F)F 1458a_100000763181_100011934356 [0,2,0,0,0,0|0,0,2]=4 1388 B8R0.5 CC(=CC(=O)CC#N)C 1458a_100000211388_100011214920 [0,2,0,0,0,0|0,0,1]=3 1389 B8R0.5 CC(=CC(=O)CC#N)Cl 1458a_200042562850_100011214920 [0,2,0,0,0,0|0,0,1]=3 1390 B8R0.5 CC(=CC(=O)CC#N)I 1458a_100025716642_100011214920 [0,2,0,0,0,0|0,0,1]=3 1391 B8R0.5 CC(=CC(=O)CCF)C 1458a_100000211388_100011217306 [0,2,0,0,0,0|0,0,0]=2 1392 B8R0.5 CC(=CC(=O)CCF)Cl 1458a_200042562850_100011217306 [0,2,0,0,0,0|0,0,0]=2 1393 B8R0.5 CC(=CC(=O)CCF)I 1458a_100025716642_100011217306 [0,2,0,0,0,0|0,0,0]=2 1394 B8R0.5 CC(=CC(=O)CCO)C 1458a_100000211388_100000211926 [0,2,0,0,0,0|0,0,0]=2 1395 B8R0.5 CC(=CC(=O)CCO)Cl 1458a_200042562850_100000211926 [0,2,0,0,0,0|0,0,0]=2 1396 B8R0.5 CC(=CC(=O)CCO)I 1458a_100025716642_100000211926 [0,2,0,0,0,0|0,0,0]=2 1397 B8R0.5 CC(=O)CC(=O)NCO 1458a_100000070787_100000185155 [0,2,0,0,0,0|1,0,1]=4 1398 B8R0.5 CC(=O)NC(=O)CS[13CH3] 62a_200025704644_100000183797 [0,2,0,0,0,0|1,0,0]=3 1399 B8R0.5 CC(C)CC(=O)C=CBr 1458a_100016273825_100000210624 [0,2,0,0,0,0|1,0,0]=3 1400 B8R0.5 CC(C)CC(=O)C=CCl 1458a_200016279998_100000210624 [0,2,0,0,0,0|1,0,0]=3 1401 B8R0.5 CC(C)CC(=O)C=CI 1458a_100016256311_100000210624 [0,2,0,0,0,0|1,0,0]=3 1402 B8R0.5 CC(C)CC(=O)CCF 1458a_100000210554_100011217306 [0,2,0,0,0,0|0,0,2]=4 1403 B8R0.5 CC(C)CC(=O)CCO 1458a_100000210554_100000211926 [0,2,0,0,0,0|0,0,2]=4 1404 B8R0.5 CC(C)CC(=O)CCO 1458a_100011216618_100000210624 [0,2,0,0,0,0|0,0,2]=4 1405 B8R0.5 CC(C)NC(=O)C=CBr 1626a_100138425928_100016273825 [0,2,0,0,0,0|1,0,0]=3 1406 B8R0.5 CC(C)NC(=O)C=CBr 240690a_100138425928_100016273825 [0,2,0,0,0,0|1,0,0]=3 1407 B8R0.5 CC(C)NC(=O)C=CCl 11a_100138425928_200016279998 [0,2,0,0,0,0|1,0,0]=3 1408 B8R0.5 CC(C)NC(=O)C=CCl 1626a_100138425928_200016279998 [0,2,0,0,0,0|1,0,0]=3 1409 B8R0.5 CC(C)NC(=O)C=CCl 240690a_100138425928_200016279998 [0,2,0,0,0,0|1,0,0]=3 1410 B8R0.5 CC(C)NC(=O)C=CI 1626a_100138425928_100016256311 [0,2,0,0,0,0|1,0,0]=3 1411 B8R0.5 CC(C)NC(=O)CCO 240690a_100138425928_100011216618 [0,2,0,0,0,0|1,0,1]=4 1412 B8R0.5 CC(C)NC(=O)CN[13CH3] 2230a_100000168517_200025704644 [0,2,0,0,0,0|1,0,1]=4 1413 B8R0.5 CC(C)NC(=O)CS[13CH3] 62a_100000183996_200025704644 [0,2,0,0,0,0|1,0,1]=4 1414 B8R0.5 CC(C)NC(=O)CS[13CH3] 62a_200025704644_100000183996 [0,2,0,0,0,0|1,0,1]=4 1415 B8R0.5 CC(C)OC(=O)CS[13CH3] 62a_100011215430_200025704644 [0,2,0,0,0,0|1,0,1]=4 1416 B8R0.5 CC(C)OC(=O)CS[13CH3] 62a_200025704644_100011215430 [0,2,0,0,0,0|1,0,1]=4 1417 B8R0.5 CC(O)CC(=O)C=CBr 1458a_100016273825_100011218427 [0,2,0,0,0,0|1,0,0]=3 1418 B8R0.5 CC(O)CC(=O)C=CCl 1458a_200016279998_100011218427 [0,2,0,0,0,0|1,0,0]=3 1419 B8R0.5 CC(O)CC(=O)C=CI 1458a_100016256311_100011218427 [0,2,0,0,0,0|1,0,0]=3 1420 B8R0.5 CC(O)CC(=O)CCO 1458a_100011216618_100011218427 [0,2,0,0,0,0|0,0,2]=4 1421 B8R0.5 CC=CC(=O)CC(=O)N 1458a_100000210699_100000187820 [0,2,0,0,0,0|0,0,1]=3 1422 B8R0.5 CC=CC(=O)CC(=O)[O-] 1458a_100000210699_100020667443 [0,2,0,0,0,0|0,0,1]=3 1423 B8R0.5 CC=CC(=O)CC(C)C 1458a_100000210699_100000210624 [0,2,0,0,0,0|0,0,0]=2 1424 B8R0.5 CC=CC(=O)CC(C)O 1458a_100000210699_100011218427 [0,2,0,0,0,0|0,0,0]=2 1425 B8R0.5 CC=CC(=O)CC(F)F 1458a_100000210699_100011934356 [0,2,0,0,0,0|0,0,0]=2 1426 B8R0.5 CC=CC(=O)C[N+](=O)[O-] 1458a_100000210699_100000761209 [0,2,0,0,0,0|1,0,0]=3 1427 B8R0.5 CC=CC(=O)NC(C)C 11a_100138425928_100000210699 [0,2,0,0,0,0|0,0,0]=2 1428 B8R0.5 CC=CC(=O)NC(C)C 1626a_100138425928_100000210699 [0,2,0,0,0,0|0,0,0]=2 1429 B8R0.5 CC=CC(=O)NC(C)C 240690a_100138425928_100000210699 [0,2,0,0,0,0|0,0,0]=2 1430 B8R0.5 CCCC(=CC(=O)C)C 1458a_100020676950_200000210301 [0,2,0,0,0,0|1,0,0]=3 1431 B8R0.5 CCCC(=CC(=O)[13CH3])C 1458a_100020676950_200025704644 [0,2,0,0,0,0|1,0,0]=3 1432 B8R0.5 CCCC(=O)C=C(C)C 1458a_100000211388_100000210303 [0,2,0,0,0,0|0,0,0]=2 1433 B8R0.5 CCCC(=O)C=C(C)Cl 1458a_200042562850_100000210303 [0,2,0,0,0,0|0,0,0]=2 1434 B8R0.5 CCCC(=O)C=C(C)I 1458a_100025716642_100000210303 [0,2,0,0,0,0|0,0,0]=2 1435 B8R0.5 CCCC(=O)C=C(Cl)Cl 1458a_100000137448_100000210303 [0,2,0,0,0,0|1,0,0]=3 1436 B8R0.5 CCCC(=O)CC(=O)C 1458a_100000070787_100000747444 [0,2,0,0,0,0|0,0,1]=3 1437 B8R0.5 CCCC(=O)CC(=O)N 1458a_100000211992_100000187820 [0,2,0,0,0,0|1,0,1]=4 1438 B8R0.5 CCCC(=O)CC(=O)N 1458a_100134613110_100000210303 [0,2,0,0,0,0|1,0,1]=4 1439 B8R0.5 CCCC(=O)CC(=O)[O-] 1458a_100000211992_100020667443 [0,2,0,0,0,0|1,0,1]=4 1440 B8R0.5 CCCC(=O)CC(C)C 1458a_100000210554_100000210303 [0,2,0,0,0,0|0,0,2]=4 1441 B8R0.5 CCCC(=O)CC(C)C 1458a_100000211992_100000210624 [0,2,0,0,0,0|0,0,2]=4 1442 B8R0.5 CCCC(=O)CC(C)O 1458a_100000211992_100011218427 [0,2,0,0,0,0|0,0,2]=4 1443 B8R0.5 CCCC(=O)CC(F)F 1458a_100000211992_100011934356 [0,2,0,0,0,0|0,0,2]=4 1444 B8R0.5 CCCC(=O)CN(C)C 1458a_100000750896_100000210303 [0,2,0,0,0,0|0,0,2]=4 1445 B8R0.5 CCCC(=O)CN(C)C 2230a_100102631434_100000747444 [0,2,0,0,0,0|0,0,2]=4 1446 B8R0.5 CCCC(=O)CN(C)C 269982a_100102631434_100000747444 [0,2,0,0,0,0|0,0,2]=4 1447 B8R0.5 CCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210303 [0,2,0,0,0,0|0,0,2]=4 1448 B8R0.5 CCCC(=O)C[S+](C)C 1458a_200159257847_100000210303 [0,2,0,0,0,0|0,0,2]=4 1449 B8R0.5 CCCC(=O)NC(C)C 11a_100138425928_100000211992 [0,2,0,0,0,0|0,0,2]=4 1450 B8R0.5 CCCC(=O)NC(C)C 1626a_100138425928_100000211992 [0,2,0,0,0,0|0,0,2]=4 1451 B8R0.5 CCCC(=O)NC(C)C 240690a_100138425928_100000211992 [0,2,0,0,0,0|0,0,2]=4 1452 B8R0.5 CCCC(=O)NC(C)C 527a_100138425928_100000211992 [0,2,0,0,0,0|0,0,2]=4 1453 B8R0.5 CCCS(=O)CC(=O)C 1458a_100011387404_200000210301 [0,2,0,0,0,0|1,0,1]=4 1454 B8R0.5 CCCS(=O)CC(=O)[13CH3] 1458a_100011387404_200025704644 [0,2,0,0,0,0|1,0,1]=4 1455 B8R0.5 CCNC(=O)C=C(C)C 11a_100015525214_100000211388 [0,2,0,0,0,0|0,0,0]=2 1456 B8R0.5 CCNC(=O)C=C(C)C 240690a_100015525214_100000211388 [0,2,0,0,0,0|0,0,0]=2 1457 B8R0.5 CCNC(=O)C=C(C)Cl 11a_100015525214_200042562850 [0,2,0,0,0,0|0,0,0]=2 1458 B8R0.5 CCNC(=O)C=C(C)Cl 240690a_100015525214_200042562850 [0,2,0,0,0,0|0,0,0]=2 1459 B8R0.5 CCNC(=O)C=C(C)I 11a_100015525214_100025716642 [0,2,0,0,0,0|0,0,0]=2 1460 B8R0.5 CCNC(=O)C=C(Cl)Cl 240690a_100015525214_100000137448 [0,2,0,0,0,0|1,0,0]=3 1461 B8R0.5 CCNC(=O)CC(=O)C 1458a_100000070787_100000183381 [0,2,0,0,0,0|0,0,1]=3 1462 B8R0.5 CCNC(=O)CC(=O)N 240690a_100015525214_100134613110 [0,2,0,0,0,0|1,0,1]=4 1463 B8R0.5 CCNC(=O)CC(=O)N 527a_100015525214_100134613110 [0,2,0,0,0,0|1,0,1]=4 1464 B8R0.5 CCNC(=O)CC(C)C 11a_100015525214_100000210554 [0,2,0,0,0,0|0,0,2]=4 1465 B8R0.5 CCNC(=O)CC(C)C 240690a_100015525214_100000210554 [0,2,0,0,0,0|0,0,2]=4 1466 B8R0.5 CCNC(=O)CC(C)C 527a_100015525214_100000210554 [0,2,0,0,0,0|0,0,2]=4 1467 B8R0.5 CCNC(=O)CN(C)C 11a_100015525214_100000750896 [0,2,0,0,0,0|1,0,1]=4 1468 B8R0.5 CCNC(=O)CN(C)C 2230a_100000741943_200000210301 [0,2,0,0,0,0|1,0,1]=4 1469 B8R0.5 CCNC(=O)CN(C)C 2230a_100102631434_100000183381 [0,2,0,0,0,0|1,0,1]=4 1470 B8R0.5 CCNC(=O)CN(C)C 240690a_100015525214_100000750896 [0,2,0,0,0,0|1,0,1]=4 1471 B8R0.5 CCNC(=O)CN(C)C 269982a_100000741943_200000210301 [0,2,0,0,0,0|1,0,1]=4 1472 B8R0.5 CCNC(=O)CN(C)C 269982a_100102631434_100000183381 [0,2,0,0,0,0|1,0,1]=4 1473 B8R0.5 CCNC(=O)CN(C)C 527a_100015525214_100000750896 [0,2,0,0,0,0|1,0,1]=4 1474 B8R0.5 CCNC(=O)CN(C)[13CH3] 2230a_100000741943_200025704644 [0,2,0,0,0,0|1,0,1]=4 1475 B8R0.5 CCNC(=O)CN(C)[13CH3] 269982a_100000741943_200025704644 [0,2,0,0,0,0|1,0,1]=4 1476 B8R0.5 CCNC(=O)C[C@@H](C)O 240690a_100015525214_100011933948 [0,2,0,0,0,0|0,0,2]=4 1477 B8R0.5 CCNC(=O)C[S+](C)C 11a_100015525214_200159257847 [0,2,0,0,0,0|1,0,1]=4 1478 B8R0.5 CCNC(=O)C[S+](C)C 240690a_100015525214_200159257847 [0,2,0,0,0,0|1,0,1]=4 1479 B8R0.5 CCNC(=O)C[S+](C)C 527a_100015525214_200159257847 [0,2,0,0,0,0|1,0,1]=4 1480 B8R0.5 CCNC(=O)NC(C)C 2708a_100015525214_100138425928 [0,2,0,0,0,0|1,0,1]=4 1481 B8R0.5 CCNC(=O)NC(C)C 2708a_100138425928_100015525214 [0,2,0,0,0,0|1,0,1]=4 1482 B8R0.5 CCNC(=O)NC(C)C 273464a_100138425928_100015525214 [0,2,0,0,0,0|1,0,1]=4 1483 B8R0.5 CCNC(=O)NC(C)C 512a_100015525214_100138425928 [0,2,0,0,0,0|1,0,1]=4 1484 B8R0.5 CCNC(=O)NC(C)C 512a_100138425928_100015525214 [0,2,0,0,0,0|1,0,1]=4 1485 B8R0.5 CCOC(=O)CC(=O)C 1458a_100000070787_100000188475 [0,2,0,0,0,0|0,0,1]=3 1486 B8R0.5 CCOC(=O)CC(=O)C 1458a_100000243816_200000210301 [0,2,0,0,0,0|0,0,1]=3 1487 B8R0.5 CCOC(=O)CC(=O)[13CH3] 1458a_100000243816_200025704644 [0,2,0,0,0,0|0,0,1]=3 1488 B8R0.5 CCOC(=O)CN(C)C 2230a_100000220588_200000210301 [0,2,0,0,0,0|1,0,1]=4 1489 B8R0.5 CCOC(=O)CN(C)C 2230a_100102631434_100000188475 [0,2,0,0,0,0|1,0,1]=4 1490 B8R0.5 CCOC(=O)CN(C)C 269982a_100102631434_100000188475 [0,2,0,0,0,0|1,0,1]=4 1491 B8R0.5 CCOC(=O)CN(C)[13CH3] 2230a_100000220588_200025704644 [0,2,0,0,0,0|1,0,1]=4 1492 B8R0.5 CCOC(C)C=C(C)C 34a_100000717055_100000210202 [0,2,0,0,0,0|1,0,1]=4 1493 B8R0.5 CN(C)CC(=O)CCF 1458a_100000750896_100011217306 [0,2,0,0,0,0|1,0,1]=4 1494 B8R0.5 CN(C)CC(=O)CCO 1458a_100000750896_100000211926 [0,2,0,0,0,0|1,0,1]=4 1495 B8R0.5 CNCC(=O)NC(=O)C 7a_106832991635_100000183797 [0,2,0,0,0,0|1,0,0]=3 1496 B8R0.5 CNCC(=O)NC(=O)N 2230a_106832991635_100000182717 [0,2,0,0,0,0|2,0,0]=4 1497 B8R0.5 CNCC(=O)NC(=O)N 7a_106832991635_100000182717 [0,2,0,0,0,0|2,0,0]=4 1498 B8R0.5 CNCC(=O)NC(C)C 2230a_100000168517_200000210301 [0,2,0,0,0,0|1,0,1]=4 1499 B8R0.5 CNCC(=O)NC(C)C 2230a_106832991635_100000183996 [0,2,0,0,0,0|1,0,1]=4 1500 B8R0.5 CNCC(=O)NC(C)C 34a_100102657272_100000183996 [0,2,0,0,0,0|1,0,1]=4 1501 B8R0.5 CNCC(=O)NC(C)C 7a_106832991635_100000183996 [0,2,0,0,0,0|1,0,1]=4 1502 B8R0.5 CNCC(=O)OC(C)C 2230a_106832991635_100011215430 [0,2,0,0,0,0|1,0,1]=4 1503 B8R0.5 CNCC(=O)OC(C)C 34a_100102657272_100011215430 [0,2,0,0,0,0|1,0,1]=4 1504 B8R0.5 CNCC(=O)OC(C)C 7a_106832991635_100011215430 [0,2,0,0,0,0|1,0,1]=4 1505 B8R0.5 CNNC(=O)C=C(C)C 22a_100016993582_100000211388 [0,2,0,0,0,0|1,0,0]=3 1506 B8R0.5 CNNC(=O)C=C(C)Cl 22a_100016993582_200042562850 [0,2,0,0,0,0|1,0,0]=3 1507 B8R0.5 CNNC(=O)CC(C)C 22a_100016993582_100000210554 [0,2,0,0,0,0|2,0,0]=4 1508 B8R0.5 CNNC(=O)CN(C)C 22a_100016993582_100000750896 [0,2,0,0,0,0|2,0,0]=4 1509 B8R0.5 CNNC(=O)C[C@@H](C)O 22a_100016993582_100011933948 [0,2,0,0,0,0|2,0,0]=4 1510 B8R0.5 CNNC(=O)C[S+](C)C 22a_100016993582_200159257847 [0,2,0,0,0,0|2,0,0]=4 1511 B8R0.5 CNNC(=O)NC(C)C 273464a_100138425928_100016993582 [0,2,0,0,0,0|2,0,0]=4 1512 B8R0.5 CNNC(=O)NC(C)C 512a_100016993582_100138425928 [0,2,0,0,0,0|2,0,0]=4 1513 B8R0.5 CNNC(=O)NC(C)C 512a_100138425928_100016993582 [0,2,0,0,0,0|2,0,0]=4 1514 B8R0.5 COCC(=O)CC(=O)N 1458a_100000210968_100000187820 [0,2,0,0,0,0|1,0,1]=4 1515 B8R0.5 COCC(=O)CC(=O)[O-] 1458a_100000210968_100020667443 [0,2,0,0,0,0|1,0,1]=4 1516 B8R0.5 COCC(=O)CC(C)C 1458a_100000210968_100000210624 [0,2,0,0,0,0|0,0,2]=4 1517 B8R0.5 COCC(=O)CC(C)O 1458a_100000210968_100011218427 [0,2,0,0,0,0|0,0,2]=4 1518 B8R0.5 COCC(=O)CC(F)F 1458a_100000210968_100011934356 [0,2,0,0,0,0|1,0,1]=4 1519 B8R0.5 COCC(=O)NC(C)C 11a_100138425928_100000210968 [0,2,0,0,0,0|1,0,1]=4 1520 B8R0.5 COCC(=O)NC(C)C 1626a_100138425928_100000210968 [0,2,0,0,0,0|1,0,1]=4 1521 B8R0.5 COCC(=O)NC(C)C 240690a_100138425928_100000210968 [0,2,0,0,0,0|1,0,1]=4 1522 B8R0.5 COCC(=O)NC(C)C 34a_100138415774_100000183996 [0,2,0,0,0,0|1,0,1]=4 1523 B8R0.5 COCC(=O)NC(C)C 527a_100138425928_100000210968 [0,2,0,0,0,0|1,0,1]=4 1524 B8R0.5 COCC(=O)OC(C)C 34a_100138415774_100011215430 [0,2,0,0,0,0|1,0,1]=4 1525 B8R0.5 CSCC(=O)CC(=O)N 1458a_100000184570_100000187820 [0,2,0,0,0,0|1,0,1]=4 1526 B8R0.5 CSCC(=O)CC(=O)[O-] 1458a_100000184570_100020667443 [0,2,0,0,0,0|1,0,1]=4 1527 B8R0.5 CSCC(=O)CC(C)C 1458a_100000184570_100000210624 [0,2,0,0,0,0|0,0,2]=4 1528 B8R0.5 CSCC(=O)CC(C)O 1458a_100000184570_100011218427 [0,2,0,0,0,0|0,0,2]=4 1529 B8R0.5 CSCC(=O)CC(F)F 1458a_100000184570_100011934356 [0,2,0,0,0,0|1,0,1]=4 1530 B8R0.5 CSCC(=O)NC(=O)C 62a_200000210301_100000183797 [0,2,0,0,0,0|1,0,0]=3 1531 B8R0.5 CSCC(=O)NC(=O)N 62a_200000210301_100000182717 [0,2,0,0,0,0|2,0,0]=4 1532 B8R0.5 CSCC(=O)NC(C)C 11a_100138425928_100000184570 [0,2,0,0,0,0|1,0,1]=4 1533 B8R0.5 CSCC(=O)NC(C)C 1626a_100138425928_100000184570 [0,2,0,0,0,0|1,0,1]=4 1534 B8R0.5 CSCC(=O)NC(C)C 240690a_100138425928_100000184570 [0,2,0,0,0,0|1,0,1]=4 1535 B8R0.5 CSCC(=O)NC(C)C 527a_100138425928_100000184570 [0,2,0,0,0,0|1,0,1]=4 1536 B8R0.5 CSCC(=O)NC(C)C 62a_100000183996_200000210301 [0,2,0,0,0,0|1,0,1]=4 1537 B8R0.5 CSCC(=O)NC(C)C 62a_200000210301_100000183996 [0,2,0,0,0,0|1,0,1]=4 1538 B8R0.5 CSCC(=O)OC(C)C 62a_100011215430_200000210301 [0,2,0,0,0,0|1,0,1]=4 1539 B8R0.5 CSCC(=O)OC(C)C 62a_200000210301_100011215430 [0,2,0,0,0,0|1,0,1]=4 1540 B8R0.5 C[C@@H](O)CC(=O)CCF 1458a_100011933948_100011217306 [0,2,0,0,0,0|0,0,2]=4 1541 B8R0.5 C[C@@H](O)CC(=O)CCO 1458a_100011933948_100000211926 [0,2,0,0,0,0|0,0,2]=4 1542 B8R0.5 C[S+](C)CC(=O)CCF 1458a_200159257847_100011217306 [0,2,0,0,0,0|1,0,1]=4 1543 B8R0.5 C[S+](C)CC(=O)CCO 1458a_200159257847_100000211926 [0,2,0,0,0,0|1,0,1]=4 1544 B8R0.5 N#CCC(=O)C=C(Cl)Cl 1458a_100000137448_100011214920 [0,2,0,0,0,0|1,0,1]=4 1545 B8R0.5 NC(=O)CC(=O)C=CBr 1458a_100016273825_100000187820 [0,2,0,0,0,0|1,0,1]=4 1546 B8R0.5 NC(=O)CC(=O)C=CCl 1458a_200016279998_100000187820 [0,2,0,0,0,0|1,0,1]=4 1547 B8R0.5 NC(=O)CC(=O)C=CI 1458a_100016256311_100000187820 [0,2,0,0,0,0|1,0,1]=4 1548 B8R0.5 NC(=O)CC(=O)CCF 1458a_100134613110_100011217306 [0,2,0,0,0,0|1,0,1]=4 1549 B8R0.5 NC(=O)CC(=O)CCO 1458a_100011216618_100000187820 [0,2,0,0,0,0|1,0,1]=4 1550 B8R0.5 NC(=O)CC(=O)CCO 1458a_100134613110_100000211926 [0,2,0,0,0,0|1,0,1]=4 1551 B8R0.5 O=C(C=C(Cl)Cl)CCF 1458a_100000137448_100011217306 [0,2,0,0,0,0|1,0,0]=3 1552 B8R0.5 O=C(C=C(Cl)Cl)CCO 1458a_100000137448_100000211926 [0,2,0,0,0,0|1,0,0]=3 1553 B8R0.5 O=C(C=CBr)CC(F)F 1458a_100016273825_100011934356 [0,2,0,0,0,0|1,0,0]=3 1554 B8R0.5 O=C(C=CBr)C[N+](=O)[O-] 1458a_100016273825_100000761209 [0,2,0,0,0,0|2,0,0]=4 1555 B8R0.5 O=C(C=CCl)CC(F)F 1458a_200016279998_100011934356 [0,2,0,0,0,0|1,0,0]=3 1556 B8R0.5 O=C(C=CCl)C[N+](=O)[O-] 1458a_200016279998_100000761209 [0,2,0,0,0,0|2,0,0]=4 1557 B8R0.5 O=C(C=CI)CC(F)F 1458a_100016256311_100011934356 [0,2,0,0,0,0|1,0,0]=3 1558 B8R0.5 O=C(C=CI)C[N+](=O)[O-] 1458a_100016256311_100000761209 [0,2,0,0,0,0|2,0,0]=4 1559 B8R0.5 O=C([O-])CC(=O)C=CBr 1458a_100016273825_100020667443 [0,2,0,0,0,0|1,0,1]=4 1560 B8R0.5 O=C([O-])CC(=O)C=CCl 1458a_200016279998_100020667443 [0,2,0,0,0,0|1,0,1]=4 1561 B8R0.5 O=C([O-])CC(=O)C=CI 1458a_100016256311_100020667443 [0,2,0,0,0,0|1,0,1]=4 1562 B8R0.5 O=C([O-])CC(=O)CCO 1458a_100011216618_100020667443 [0,2,0,0,0,0|1,0,1]=4 1563 B8R0.5 [13CH3]SCC(=O)NC(=O)N 62a_200025704644_100000182717 [0,2,0,0,0,0|2,0,0]=4 1564 B8R0.19 C#CC(=O)CC(=O)CC 1458a_100000211873_100000747405 [0,2,0,0,0,0|0,0,2]=4 1565 B8R0.19 C#CC(C)NC(=O)CC 11a_100000707721_100000210414 [0,2,0,0,0,0|1,0,1]=4 1566 B8R0.19 C#CC(C)NC(=O)CC 1626a_100000707721_100000210414 [0,2,0,0,0,0|1,0,1]=4 1567 B8R0.19 C#CC(C)NC(=O)CC 240690a_100000707721_100000210414 [0,2,0,0,0,0|1,0,1]=4 1568 B8R0.19 C#CC(C)NC(=O)CC 527a_100000707721_100000210414 [0,2,0,0,0,0|1,0,1]=4 1569 B8R0.19 C=C(C#N)CC(=O)CC 1458a_100000210414_100000694840 [0,2,0,0,0,0|0,0,2]=4 1570 B8R0.19 C=CC(=O)CC(=O)CC 1458a_100000185746_100000747405 [0,2,0,0,0,0|0,0,1]=3 1571 B8R0.19 C=CC(=O)CC(=O)NC 1458a_100000185746_100000183359 [0,2,0,0,0,0|1,0,1]=4 1572 B8R0.19 C=CC(=O)CC(=O)OC 1458a_100000185746_100000747449 [0,2,0,0,0,0|1,0,1]=4 1573 B8R0.19 C=CC(C)CC(=O)CC 1458a_100011934298_100000210202 [0,2,0,0,0,0|0,0,2]=4 1574 B8R0.19 CCC(=CC(=O)CF)C 1458a_100020758463_100015361967 [0,2,0,0,0,0|1,0,0]=3 1575 B8R0.19 CCC(=CC(=O)NC)C 11a_106832991635_100020758463 [0,2,0,0,0,0|1,0,0]=3 1576 B8R0.19 CCC(=CC(=O)NC)C 1626a_100102657272_100020758463 [0,2,0,0,0,0|1,0,0]=3 1577 B8R0.19 CCC(=CC(=O)NC)C 240690a_100102657272_100020758463 [0,2,0,0,0,0|1,0,0]=3 1578 B8R0.19 CCC(=O)C=C(C)CC 1458a_100020758463_100000210202 [0,2,0,0,0,0|0,0,0]=2 1579 B8R0.19 CCC(=O)CC(=O)CC 1458a_100000210414_100000747405 [0,2,0,0,0,0|0,0,1]=3 1580 B8R0.19 CCC(=O)CC(=O)CO 1458a_100000210174_100000747405 [0,2,0,0,0,0|0,0,1]=3 1581 B8R0.19 CCC(=O)CC(=O)NC 1458a_100000210414_100000183359 [0,2,0,0,0,0|0,0,1]=3 1582 B8R0.19 CCC(=O)CC(=O)OC 1458a_100000210414_100000747449 [0,2,0,0,0,0|0,0,1]=3 1583 B8R0.19 CCC(=O)CC(=O)OC 1458a_100000211351_100000210202 [0,2,0,0,0,0|0,0,1]=3 1584 B8R0.19 CCC(=O)CC(C)CC 1458a_100000210414_100000748023 [0,2,0,0,0,0|0,0,2]=4 1585 B8R0.19 CCC(=O)CC(C)CC 1458a_100000708755_100000210202 [0,2,0,0,0,0|0,0,2]=4 1586 B8R0.19 CCC(=O)CC(O)CC 1458a_100000210414_100011218378 [0,2,0,0,0,0|0,0,2]=4 1587 B8R0.19 CCC(=O)CC(O)CC 1458a_100011667805_100000210202 [0,2,0,0,0,0|0,0,2]=4 1588 B8R0.19 CCC(=O)CN(C)CC 1458a_100116209913_100000210202 [0,2,0,0,0,0|0,0,2]=4 1589 B8R0.19 CCC(=O)CN(C)CC 269982a_100000225621_100000747405 [0,2,0,0,0,0|0,0,2]=4 1590 B8R0.19 CCC(=O)C[C@@H](C)CC 1458a_100000210414_100009816398 [0,2,0,0,0,0|0,0,2]=4 1591 B8R0.19 CCC(=O)C[C@@H](C)CO 1458a_100000210414_100000059175 [0,2,0,0,0,0|0,0,2]=4 1592 B8R0.19 CCC(=O)NC(C)C#N 11a_100000737613_100000210414 [0,2,0,0,0,0|1,0,1]=4 1593 B8R0.19 CCC(=O)NC(C)C#N 1626a_100000737613_100000210414 [0,2,0,0,0,0|1,0,1]=4 1594 B8R0.19 CCC(=O)NC(C)C#N 527a_100000737613_100000210414 [0,2,0,0,0,0|1,0,1]=4 1595 B8R0.19 CCC(=O)NC(C)CC 11a_100000209981_100000210414 [0,2,0,0,0,0|0,0,2]=4 1596 B8R0.19 CCC(=O)NC(C)CC 1626a_100000209981_100000210414 [0,2,0,0,0,0|0,0,2]=4 1597 B8R0.19 CCC(=O)NC(C)CC 240690a_100000209981_100000210414 [0,2,0,0,0,0|0,0,2]=4 1598 B8R0.19 CCC(=O)NC(C)CC 527a_100000209981_100000210414 [0,2,0,0,0,0|0,0,2]=4 1599 B8R0.19 CCC(=O)N[C@H](C)CF 11a_100102880703_100000210414 [0,2,0,0,0,0|1,0,1]=4 1600 B8R0.19 CCC(=O)N[C@H](C)CF 1626a_100102880703_100000210414 [0,2,0,0,0,0|1,0,1]=4 1601 B8R0.19 CCC(=O)N[C@H](C)CF 240690a_100102880703_100000210414 [0,2,0,0,0,0|1,0,1]=4 1602 B8R0.19 CCC(=O)N[C@H](C)CF 527a_100102880703_100000210414 [0,2,0,0,0,0|1,0,1]=4 1603 B8R0.19 CCC(=O)N[C@H](C)CO 240690a_100000737577_100000210414 [0,2,0,0,0,0|1,0,1]=4 1604 B8R0.19 CCC(=O)N[C@H](C)CO 527a_100000737577_100000210414 [0,2,0,0,0,0|1,0,1]=4 1605 B8R0.19 CNC(=O)CC(=O)CO 1458a_100000210174_100000183359 [0,2,0,0,0,0|1,0,1]=4 1606 B8R0.19 CNC(=O)CC(=O)OC 240690a_100102657272_100000211351 [0,2,0,0,0,0|1,0,1]=4 1607 B8R0.19 COC(=O)CC(=O)CF 1458a_100000211351_100015361967 [0,2,0,0,0,0|1,0,1]=4 1608 B8R0.19 COC(=O)CC(=O)CO 1458a_100000210174_100000747449 [0,2,0,0,0,0|1,0,1]=4 1609 B8R0.23 C=C(C)CC(=O)C(=C)C 1458a_100000185857_100000748629 [0,2,0,0,0,0|0,0,2]=4 1610 B8R0.23 C=C(C)CC(=O)C(C)C 1458a_100000210198_100000748629 [0,2,0,0,0,0|0,0,1]=3 1611 B8R0.23 C=C(C)CC(=O)C(C)F 1458a_100000062450_100000748629 [0,2,0,0,0,0|0,0,1]=3 1612 B8R0.23 C=C(C)CC(=O)C(O)O 1458a_100000233687_100000748629 [0,2,0,0,0,0|1,0,1]=4 1613 B8R0.23 C=C(C)CC(=O)[C@@H](C)O 1458a_100000717761_100000748629 [0,2,0,0,0,0|0,0,1]=3 1614 B8R0.23 C=C(C)CC(=O)[C@H](C)O 1458a_217856618621_100000748629 [0,2,0,0,0,0|0,0,1]=3 1615 B8R0.23 C=C(F)CC(=O)C(C)C 1458a_100000210198_100009893438 [0,2,0,0,0,0|0,0,2]=4 1616 B8R0.23 C=C(F)CC(=O)C(C)F 1458a_100000062450_100009893438 [0,2,0,0,0,0|0,0,2]=4 1617 B8R0.23 C=C(F)CC(=O)[C@@H](C)O 1458a_100000717761_100009893438 [0,2,0,0,0,0|0,0,2]=4 1618 B8R0.23 C=C(F)CC(=O)[C@H](C)O 1458a_217856618621_100009893438 [0,2,0,0,0,0|0,0,2]=4 1619 B8R0.23 CC(=CC(=O)C(C)C)C 1458a_100000211388_100000210206 [0,2,0,0,0,0|0,0,0]=2 1620 B8R0.23 CC(=CC(=O)C(C)C)Cl 1458a_200042562850_100000210206 [0,2,0,0,0,0|0,0,0]=2 1621 B8R0.23 CC(=CC(=O)C(C)C)I 1458a_100025716642_100000210206 [0,2,0,0,0,0|0,0,0]=2 1622 B8R0.23 CC(=CC(=O)N(C)C)C 11a_100102631434_100000211388 [0,2,0,0,0,0|1,0,0]=3 1623 B8R0.23 CC(=CC(=O)N(C)C)C 1626a_100102631434_100000211388 [0,2,0,0,0,0|1,0,0]=3 1624 B8R0.23 CC(=CC(=O)N(C)C)C 240690a_100102631434_100000211388 [0,2,0,0,0,0|1,0,0]=3 1625 B8R0.23 CC(=CC(=O)N(C)C)Cl 11a_100102631434_200042562850 [0,2,0,0,0,0|1,0,0]=3 1626 B8R0.23 CC(=CC(=O)N(C)C)Cl 1626a_100102631434_200042562850 [0,2,0,0,0,0|1,0,0]=3 1627 B8R0.23 CC(=CC(=O)N(C)C)Cl 240690a_100102631434_200042562850 [0,2,0,0,0,0|1,0,0]=3 1628 B8R0.23 CC(=CC(=O)N(C)C)I 11a_100102631434_100025716642 [0,2,0,0,0,0|1,0,0]=3 1629 B8R0.23 CC(=CC(=O)N(C)C)I 1626a_100102631434_100025716642 [0,2,0,0,0,0|1,0,0]=3 1630 B8R0.23 CC(=O)CC(=O)C(=O)C 1458a_100000070787_100011261029 [0,2,0,0,0,0|0,0,2]=4 1631 B8R0.23 CC(=O)CC(=O)C(C)C 1458a_100000070787_100000753385 [0,2,0,0,0,0|0,0,1]=3 1632 B8R0.23 CC(=O)CC(=O)N(C)C 1458a_100000070787_100000185267 [0,2,0,0,0,0|1,0,1]=4 1633 B8R0.23 CC(C)C(=O)C=C(Cl)Cl 1458a_100000137448_100000210206 [0,2,0,0,0,0|1,0,0]=3 1634 B8R0.23 CC(C)C(=O)CC(=O)N 1458a_100000210198_100000187820 [0,2,0,0,0,0|1,0,1]=4 1635 B8R0.23 CC(C)C(=O)CC(=O)N 1458a_100134613110_100000210206 [0,2,0,0,0,0|1,0,1]=4 1636 B8R0.23 CC(C)C(=O)CC(=O)[O-] 1458a_100000210198_100020667443 [0,2,0,0,0,0|1,0,1]=4 1637 B8R0.23 CC(C)C(=O)CN(C)C 1458a_100000750896_100000210206 [0,2,0,0,0,0|1,0,1]=4 1638 B8R0.23 CC(C)C(=O)CN(C)C 2230a_100102631434_100000753385 [0,2,0,0,0,0|1,0,1]=4 1639 B8R0.23 CC(C)C(=O)CN(C)C 269982a_100102631434_100000753385 [0,2,0,0,0,0|1,0,1]=4 1640 B8R0.23 CC(C)C(=O)C[C@@H](C)O 1458a_100011933948_100000210206 [0,2,0,0,0,0|0,0,2]=4 1641 B8R0.23 CC(C)C(=O)C[S+](C)C 1458a_200159257847_100000210206 [0,2,0,0,0,0|1,0,1]=4 1642 B8R0.23 CC(C)CC(=O)C(C)C 1458a_100000210198_100000210624 [0,2,0,0,0,0|0,0,2]=4 1643 B8R0.23 CC(C)CC(=O)C(C)C 1458a_100000210554_100000210206 [0,2,0,0,0,0|0,0,2]=4 1644 B8R0.23 CC(C)CC(=O)C(C)F 1458a_100000062450_100000210624 [0,2,0,0,0,0|0,0,2]=4 1645 B8R0.23 CC(C)CC(=O)[C@@H](C)O 1458a_100000717761_100000210624 [0,2,0,0,0,0|0,0,2]=4 1646 B8R0.23 CC(C)CC(=O)[C@H](C)O 1458a_217856618621_100000210624 [0,2,0,0,0,0|0,0,2]=4 1647 B8R0.23 CC(C)NC(=O)C(C)C 11a_100138425928_100000210198 [0,2,0,0,0,0|1,0,1]=4 1648 B8R0.23 CC(C)NC(=O)C(C)C 1626a_100138425928_100000210198 [0,2,0,0,0,0|1,0,1]=4 1649 B8R0.23 CC(C)NC(=O)C(C)C 240690a_100138425928_100000210198 [0,2,0,0,0,0|1,0,1]=4 1650 B8R0.23 CC(C)NC(=O)C(C)C 527a_100138425928_100000210198 [0,2,0,0,0,0|1,0,1]=4 1651 B8R0.23 CC(C)NC(=O)C(C)F 11a_100138425928_100000062450 [0,2,0,0,0,0|1,0,1]=4 1652 B8R0.23 CC(C)NC(=O)C(C)F 1626a_100138425928_100000062450 [0,2,0,0,0,0|1,0,1]=4 1653 B8R0.23 CC(C)NC(=O)C(C)F 240690a_100138425928_100000062450 [0,2,0,0,0,0|1,0,1]=4 1654 B8R0.23 CC(C)NC(=O)C(C)F 527a_100138425928_100000062450 [0,2,0,0,0,0|1,0,1]=4 1655 B8R0.23 CC(C)NC(=O)[C@@H](C)O 240690a_100138425928_100000717761 [0,2,0,0,0,0|1,0,1]=4 1656 B8R0.23 CC(C)NC(=O)[C@H](C)O 1626a_100138425928_217856618621 [0,2,0,0,0,0|1,0,1]=4 1657 B8R0.23 CC(C)NC(=O)[C@H](C)O 240690a_100138425928_217856618621 [0,2,0,0,0,0|1,0,1]=4 1658 B8R0.23 CC(F)C(=O)CC(=O)N 1458a_100000062450_100000187820 [0,2,0,0,0,0|1,0,1]=4 1659 B8R0.23 CC(F)C(=O)CC(=O)[O-] 1458a_100000062450_100020667443 [0,2,0,0,0,0|1,0,1]=4 1660 B8R0.23 CC(O)CC(=O)C(C)C 1458a_100000210198_100011218427 [0,2,0,0,0,0|0,0,2]=4 1661 B8R0.23 CC(O)CC(=O)C(C)F 1458a_100000062450_100011218427 [0,2,0,0,0,0|0,0,2]=4 1662 B8R0.23 CC(O)CC(=O)[C@@H](C)O 1458a_100000717761_100011218427 [0,2,0,0,0,0|0,0,2]=4 1663 B8R0.23 CC(O)CC(=O)[C@H](C)O 1458a_217856618621_100011218427 [0,2,0,0,0,0|0,0,2]=4 1664 B8R0.23 CN(C)C(=O)C=C(Cl)Cl 1626a_100102631434_100000137448 [0,2,0,0,0,0|2,0,0]=4 1665 B8R0.23 CN(C)C(=O)C=C(Cl)Cl 240690a_100102631434_100000137448 [0,2,0,0,0,0|2,0,0]=4 1666 B8R0.23 C[C@@H](O)C(=O)CC(=O)N 1458a_100000717761_100000187820 [0,2,0,0,0,0|1,0,1]=4 1667 B8R0.23 C[C@@H](O)C(=O)CC(=O)[O-] 1458a_100000717761_100020667443 [0,2,0,0,0,0|1,0,1]=4 1668 B8R0.23 C[C@H](O)C(=O)CC(=O)N 1458a_217856618621_100000187820 [0,2,0,0,0,0|1,0,1]=4 1669 B8R0.23 C[C@H](O)C(=O)CC(=O)[O-] 1458a_217856618621_100020667443 [0,2,0,0,0,0|1,0,1]=4 1670 B8R0.24 CCC(=O)CC(C)(C)C 1458a_100000211214_100000210202 [0,2,0,0,0,0|0,0,2]=4 1671 B8R0.24 CCC(=O)CC(C)(C)O 1458a_100000693243_100000210202 [0,2,0,0,0,0|0,0,2]=4 1672 B8R0.24 CCC(=O)CS(=O)(=O)C 1458a_100000744497_100000210202 [0,2,0,0,0,0|1,0,1]=4 1673 B8R0.24 CCC(=O)C[N+](C)(C)C 1458a_100000033712_100000210202 [0,2,0,0,0,0|1,0,1]=4 1674 B8R0.24 CCC(=O)C[Si](C)(C)C 1458a_100000210414_100000233785 [0,2,0,0,0,0|0,1,1]=4 1675 B8R0.24 CCC(=O)C[Si](C)(C)C 1458a_100011218504_100000210202 [0,2,0,0,0,0|0,1,1]=4 1676 B8R0.24 CCC(=O)NC(C)(C)C 11a_100000715429_100000210414 [0,2,0,0,0,0|1,0,1]=4 1677 B8R0.24 CCC(=O)NC(C)(C)C 1626a_100000715429_100000210414 [0,2,0,0,0,0|1,0,1]=4 1678 B8R0.24 CCC(=O)NC(C)(C)C 240690a_100000715429_100000210414 [0,2,0,0,0,0|1,0,1]=4 1679 B8R0.24 CCC(=O)NC(C)(C)C 527a_100000715429_100000210414 [0,2,0,0,0,0|1,0,1]=4 1680 B8R0.24 CCC(=O)NS(=O)(=O)C 2740a_100000171171_100000210414 [0,2,0,0,0,0|2,0,0]=4 1681 B8R0.34 CCS(=O)(=O)CC(=O)C 1458a_100000744335_200000210301 [0,2,0,0,0,0|1,0,1]=4 1682 B8R0.34 CCS(=O)(=O)CC(=O)[13CH3] 1458a_100000744335_200025704644 [0,2,0,0,0,0|1,0,1]=4 1683 B8R0.34 CCS(=O)(=O)NC(=O)C 2740a_100000171174_100015343762 [0,2,0,0,0,0|2,0,0]=4 1684 B8R0.1 C#CCC(=O)C/C=C/C 1458a_100011220946_100102629194 [0,2,0,0,0,0|0,0,1]=3 1685 B8R0.1 C#CCC(=O)C=CC=C 1458a_100016291481_100000184674 [0,2,0,0,0,0|0,0,2]=4 1686 B8R0.1 C#CCC(=O)C=CCC 1458a_100000212282_100000184674 [0,2,0,0,0,0|0,0,1]=3 1687 B8R0.1 C#CCC(=O)C=COC 1458a_100016268678_100000184674 [0,2,0,0,0,0|0,0,1]=3 1688 B8R0.1 C#CCC(=O)CC=CC 1458a_100011220946_100000070051 [0,2,0,0,0,0|0,0,1]=3 1689 B8R0.1 C#CCC(=O)CC=CC 1458a_100121576822_100000184674 [0,2,0,0,0,0|0,0,1]=3 1690 B8R0.1 C#CCCC(=O)C#CC 1458a_100000763181_100000753159 [0,2,0,0,0,0|0,0,2]=4 1691 B8R0.1 C#CCCC(=O)C=CBr 1458a_100016273825_100000753159 [0,2,0,0,0,0|1,0,0]=3 1692 B8R0.1 C#CCCC(=O)C=CC 1458a_100000210699_100000753159 [0,2,0,0,0,0|0,0,0]=2 1693 B8R0.1 C#CCCC(=O)C=CCl 1458a_200016279998_100000753159 [0,2,0,0,0,0|1,0,0]=3 1694 B8R0.1 C#CCCC(=O)C=CI 1458a_100016256311_100000753159 [0,2,0,0,0,0|1,0,0]=3 1695 B8R0.1 C#CCCC(=O)CC=C 1458a_100000210193_100000753159 [0,2,0,0,0,0|0,0,2]=4 1696 B8R0.1 C#CCCC(=O)CC=C 1458a_100000692101_100000210623 [0,2,0,0,0,0|0,0,2]=4 1697 B8R0.1 C#CCCC(=O)CCC 1458a_100000211992_100000753159 [0,2,0,0,0,0|0,0,2]=4 1698 B8R0.1 C#CCCC(=O)CCC 1458a_100000692101_100000210303 [0,2,0,0,0,0|0,0,2]=4 1699 B8R0.1 C#CCCC(=O)COC 1458a_100000210968_100000753159 [0,2,0,0,0,0|1,0,1]=4 1700 B8R0.1 C#CCCC(=O)CSC 1458a_100000184570_100000753159 [0,2,0,0,0,0|1,0,1]=4 1701 B8R0.1 C#CCCC(=O)NCC 11a_100015525214_100000692101 [0,2,0,0,0,0|1,0,1]=4 1702 B8R0.1 C#CCCC(=O)NCC 240690a_100015525214_100000692101 [0,2,0,0,0,0|1,0,1]=4 1703 B8R0.1 C#CCCC(=O)NCC 527a_100015525214_100000692101 [0,2,0,0,0,0|1,0,1]=4 1704 B8R0.1 C#CCCC(=O)NNC 22a_100016993582_100000692101 [0,2,0,0,0,0|2,0,0]=4 1705 B8R0.1 C#CCNC(=O)C=CBr 1626a_100000212058_100016273825 [0,2,0,0,0,0|1,0,1]=4 1706 B8R0.1 C#CCNC(=O)C=CBr 240690a_100000212058_100016273825 [0,2,0,0,0,0|1,0,1]=4 1707 B8R0.1 C#CCNC(=O)C=CC 11a_100000212058_100000210699 [0,2,0,0,0,0|0,0,1]=3 1708 B8R0.1 C#CCNC(=O)C=CC 1626a_100000212058_100000210699 [0,2,0,0,0,0|0,0,1]=3 1709 B8R0.1 C#CCNC(=O)C=CC 240690a_100000212058_100000210699 [0,2,0,0,0,0|0,0,1]=3 1710 B8R0.1 C#CCNC(=O)C=CCl 11a_100000212058_200016279998 [0,2,0,0,0,0|1,0,1]=4 1711 B8R0.1 C#CCNC(=O)C=CCl 1626a_100000212058_200016279998 [0,2,0,0,0,0|1,0,1]=4 1712 B8R0.1 C#CCNC(=O)C=CCl 240690a_100000212058_200016279998 [0,2,0,0,0,0|1,0,1]=4 1713 B8R0.1 C#CCNC(=O)C=CI 1626a_100000212058_100016256311 [0,2,0,0,0,0|1,0,1]=4 1714 B8R0.1 C/C=C/C(C)OCCC 34a_200102604097_100000210303 [0,2,0,0,0,0|1,0,1]=4 1715 B8R0.1 C/C=C/C(C)OCCF 34a_200102604097_100011217306 [0,2,0,0,0,0|1,0,1]=4 1716 B8R0.1 C/C=C/C(C)OCCO 34a_200102604097_100000211926 [0,2,0,0,0,0|1,0,1]=4 1717 B8R0.1 C/C=C/C(C)OCSC 34a_200102604097_100011218213 [0,2,0,0,0,0|1,0,1]=4 1718 B8R0.1 C/C=C/CC(=O)C=CBr 1458a_100016273825_100102629194 [0,2,0,0,0,0|1,0,0]=3 1719 B8R0.1 C/C=C/CC(=O)C=CCl 1458a_200016279998_100102629194 [0,2,0,0,0,0|1,0,0]=3 1720 B8R0.1 C/C=C/CC(=O)C=CI 1458a_100016256311_100102629194 [0,2,0,0,0,0|1,0,0]=3 1721 B8R0.1 C/C=C/CC(=O)CC#N 1458a_100051588842_100102629194 [0,2,0,0,0,0|0,0,1]=3 1722 B8R0.1 C/C=C/CC(=O)CCC 1458a_100000211992_100102629194 [0,2,0,0,0,0|0,0,0]=2 1723 B8R0.1 C/C=C/CC(=O)CCO 1458a_100011216618_100102629194 [0,2,0,0,0,0|0,0,0]=2 1724 B8R0.1 C/C=C/CC(=O)COC 1458a_100000210968_100102629194 [0,2,0,0,0,0|0,0,0]=2 1725 B8R0.1 C/C=C/CC(=O)CSC 1458a_100000184570_100102629194 [0,2,0,0,0,0|0,0,0]=2 1726 B8R0.1 C/C=C/CN(C)CCC 269982a_100000747261_100102629194 [0,2,0,0,0,0|2,0,0]=4 1727 B8R0.1 C/C=C/CN(C)CCO 269982a_100000210263_100102629194 [0,2,0,0,0,0|2,0,0]=4 1728 B8R0.1 C=CC=CC(=O)CC#N 1458a_100016291481_100011214920 [0,2,0,0,0,0|0,0,2]=4 1729 B8R0.1 C=CC=CC(=O)CC=C 1458a_100016291481_100000210623 [0,2,0,0,0,0|0,0,2]=4 1730 B8R0.1 C=CC=CC(=O)CCC 1458a_100016291481_100000210303 [0,2,0,0,0,0|0,0,1]=3 1731 B8R0.1 C=CC=CC(=O)CCF 1458a_100016291481_100011217306 [0,2,0,0,0,0|0,0,1]=3 1732 B8R0.1 C=CC=CC(=O)CCO 1458a_100016291481_100000211926 [0,2,0,0,0,0|0,0,1]=3 1733 B8R0.1 C=CC=CC(=O)NNC 22a_100016993582_100016291481 [0,2,0,0,0,0|1,0,1]=4 1734 B8R0.1 C=CCC(=O)C#CCC 1458a_100011827653_100000210623 [0,2,0,0,0,0|0,0,2]=4 1735 B8R0.1 C=CCC(=O)C/C=C/C 1458a_100000210193_100102629194 [0,2,0,0,0,0|0,0,1]=3 1736 B8R0.1 C=CCC(=O)C=CCC 1458a_100000212282_100000210623 [0,2,0,0,0,0|0,0,1]=3 1737 B8R0.1 C=CCC(=O)C=COC 1458a_100016268678_100000210623 [0,2,0,0,0,0|0,0,1]=3 1738 B8R0.1 C=CCC(=O)CC#CC 1458a_100000210193_100000748600 [0,2,0,0,0,0|0,0,2]=4 1739 B8R0.1 C=CCC(=O)CC=CC 1458a_100000210193_100000070051 [0,2,0,0,0,0|0,0,1]=3 1740 B8R0.1 C=CCC(=O)CC=CC 1458a_100121576822_100000210623 [0,2,0,0,0,0|0,0,1]=3 1741 B8R0.1 C=CCC(=O)CCC#N 1458a_100000210193_100011215226 [0,2,0,0,0,0|0,0,2]=4 1742 B8R0.1 C=CCC(=O)CCC#N 1458a_100011934036_100000210623 [0,2,0,0,0,0|0,0,2]=4 1743 B8R0.1 C=CCC(=O)CCCC 1458a_100000210183_100000210623 [0,2,0,0,0,0|0,0,2]=4 1744 B8R0.1 C=CCC(=O)CCCC 1458a_100000210193_100000210211 [0,2,0,0,0,0|0,0,2]=4 1745 B8R0.1 C=CCC(=O)CCCF 1458a_100000210193_100011934791 [0,2,0,0,0,0|0,0,2]=4 1746 B8R0.1 C=CCC(=O)CCCO 1458a_100000210193_100011215043 [0,2,0,0,0,0|0,0,2]=4 1747 B8R0.1 C=CCC(=O)CCOC 1458a_100000210193_100000233755 [0,2,0,0,0,0|0,0,2]=4 1748 B8R0.1 C=CCC(=O)CCOC 1458a_100000749529_100000210623 [0,2,0,0,0,0|0,0,2]=4 1749 B8R0.1 C=CCC(=O)CCSC 1458a_100000174002_100000210623 [0,2,0,0,0,0|0,0,2]=4 1750 B8R0.1 C=CCC(=O)CCSC 1458a_100000210193_100000751147 [0,2,0,0,0,0|0,0,2]=4 1751 B8R0.1 C=CCC(=O)COCC 1458a_100000211967_100000210623 [0,2,0,0,0,0|0,0,2]=4 1752 B8R0.1 C=CCC(=O)CSCC 1458a_100000230394_100000210623 [0,2,0,0,0,0|0,0,2]=4 1753 B8R0.1 C=CCC(=O)NCCC 11a_100020643023_100000210193 [0,2,0,0,0,0|0,0,2]=4 1754 B8R0.1 C=CCC(=O)NCCC 1626a_100020643023_100000210193 [0,2,0,0,0,0|0,0,2]=4 1755 B8R0.1 C=CCC(=O)NCCC 240690a_100020643023_100000210193 [0,2,0,0,0,0|0,0,2]=4 1756 B8R0.1 C=CCC(=O)NCCC 527a_100020643023_100000210193 [0,2,0,0,0,0|0,0,2]=4 1757 B8R0.1 C=CCC(=O)NCCF 11a_100000724931_100000210193 [0,2,0,0,0,0|0,0,2]=4 1758 B8R0.1 C=CCC(=O)NCCF 1626a_100000724931_100000210193 [0,2,0,0,0,0|0,0,2]=4 1759 B8R0.1 C=CCC(=O)NCCF 240690a_100000724931_100000210193 [0,2,0,0,0,0|0,0,2]=4 1760 B8R0.1 C=CCC(=O)NCCF 527a_100000724931_100000210193 [0,2,0,0,0,0|0,0,2]=4 1761 B8R0.1 C=CCC(=O)NCCO 240690a_100000210304_100000210193 [0,2,0,0,0,0|0,0,2]=4 1762 B8R0.1 C=CCC(=O)NCCO 527a_100000210304_100000210193 [0,2,0,0,0,0|0,0,2]=4 1763 B8R0.1 C=CCC(=O)NNCC 22a_100000756455_100000210193 [0,2,0,0,0,0|0,0,2]=4 1764 B8R0.1 C=CCCC(=O)C#CC 1458a_100000763181_100000754431 [0,2,0,0,0,0|0,0,2]=4 1765 B8R0.1 C=CCCC(=O)C=CBr 1458a_100016273825_100000754431 [0,2,0,0,0,0|1,0,0]=3 1766 B8R0.1 C=CCCC(=O)C=CC 1458a_100000210699_100000754431 [0,2,0,0,0,0|0,0,0]=2 1767 B8R0.1 C=CCCC(=O)C=CCl 1458a_200016279998_100000754431 [0,2,0,0,0,0|1,0,0]=3 1768 B8R0.1 C=CCCC(=O)C=CI 1458a_100016256311_100000754431 [0,2,0,0,0,0|1,0,0]=3 1769 B8R0.1 C=CCCC(=O)CC=C 1458a_100000210193_100000754431 [0,2,0,0,0,0|0,0,2]=4 1770 B8R0.1 C=CCCC(=O)CC=C 1458a_100000749702_100000210623 [0,2,0,0,0,0|0,0,2]=4 1771 B8R0.1 C=CCCC(=O)CCC 1458a_100000211992_100000754431 [0,2,0,0,0,0|0,0,2]=4 1772 B8R0.1 C=CCCC(=O)CCC 1458a_100000749702_100000210303 [0,2,0,0,0,0|0,0,2]=4 1773 B8R0.1 C=CCCC(=O)CCF 1458a_100000749702_100011217306 [0,2,0,0,0,0|0,0,2]=4 1774 B8R0.1 C=CCCC(=O)CCO 1458a_100000749702_100000211926 [0,2,0,0,0,0|0,0,2]=4 1775 B8R0.1 C=CCCC(=O)CCO 1458a_100011216618_100000754431 [0,2,0,0,0,0|0,0,2]=4 1776 B8R0.1 C=CCCC(=O)COC 1458a_100000210968_100000754431 [0,2,0,0,0,0|0,0,2]=4 1777 B8R0.1 C=CCCC(=O)CSC 1458a_100000184570_100000754431 [0,2,0,0,0,0|0,0,2]=4 1778 B8R0.1 C=CCCC(=O)NCC 11a_100015525214_100000749702 [0,2,0,0,0,0|0,0,2]=4 1779 B8R0.1 C=CCCC(=O)NCC 240690a_100015525214_100000749702 [0,2,0,0,0,0|0,0,2]=4 1780 B8R0.1 C=CCCC(=O)NCC 527a_100015525214_100000749702 [0,2,0,0,0,0|0,0,2]=4 1781 B8R0.1 C=CCCC(=O)NNC 22a_100016993582_100000749702 [0,2,0,0,0,0|2,0,0]=4 1782 B8R0.1 C=CCNC(=O)C=CBr 1626a_100020586998_100016273825 [0,2,0,0,0,0|1,0,1]=4 1783 B8R0.1 C=CCNC(=O)C=CBr 240690a_100020586998_100016273825 [0,2,0,0,0,0|1,0,1]=4 1784 B8R0.1 C=CCNC(=O)C=CC 1626a_100020586998_100000210699 [0,2,0,0,0,0|0,0,1]=3 1785 B8R0.1 C=CCNC(=O)C=CC 240690a_100020586998_100000210699 [0,2,0,0,0,0|0,0,1]=3 1786 B8R0.1 C=CCNC(=O)C=CCl 1626a_100020586998_200016279998 [0,2,0,0,0,0|1,0,1]=4 1787 B8R0.1 C=CCNC(=O)C=CCl 240690a_100020586998_200016279998 [0,2,0,0,0,0|1,0,1]=4 1788 B8R0.1 C=CCNC(=O)C=CI 1626a_100020586998_100016256311 [0,2,0,0,0,0|1,0,1]=4 1789 B8R0.1 C=CCNC(=O)CCC 1626a_100020586998_100000211992 [0,2,0,0,0,0|0,0,2]=4 1790 B8R0.1 C=CCNC(=O)CCC 240690a_100020586998_100000211992 [0,2,0,0,0,0|0,0,2]=4 1791 B8R0.1 C=CCNC(=O)CCC 527a_100020586998_100000211992 [0,2,0,0,0,0|0,0,2]=4 1792 B8R0.1 C=CCNC(=O)CCO 240690a_100020586998_100011216618 [0,2,0,0,0,0|0,0,2]=4 1793 B8R0.1 C=CCNC(=O)CNC 2230a_106832991635_100000183597 [0,2,0,0,0,0|0,0,2]=4 1794 B8R0.1 C=CCNC(=O)CNC 7a_106832991635_100000183597 [0,2,0,0,0,0|0,0,2]=4 1795 B8R0.1 C=CCNC(=O)COC 1626a_100020586998_100000210968 [0,2,0,0,0,0|0,0,2]=4 1796 B8R0.1 C=CCNC(=O)COC 240690a_100020586998_100000210968 [0,2,0,0,0,0|0,0,2]=4 1797 B8R0.1 C=CCNC(=O)COC 527a_100020586998_100000210968 [0,2,0,0,0,0|0,0,2]=4 1798 B8R0.1 C=CCNC(=O)CSC 1626a_100020586998_100000184570 [0,2,0,0,0,0|0,0,2]=4 1799 B8R0.1 C=CCNC(=O)CSC 240690a_100020586998_100000184570 [0,2,0,0,0,0|0,0,2]=4 1800 B8R0.1 C=CCNC(=O)CSC 527a_100020586998_100000184570 [0,2,0,0,0,0|0,0,2]=4 1801 B8R0.1 C=CCNC(=O)CSC 62a_100000183597_200000210301 [0,2,0,0,0,0|0,0,2]=4 1802 B8R0.1 C=CCNC(=O)CSC 62a_200000210301_100000183597 [0,2,0,0,0,0|0,0,2]=4 1803 B8R0.1 C=CCNC(=O)CS[13CH3] 62a_100000183597_200025704644 [0,2,0,0,0,0|0,0,2]=4 1804 B8R0.1 C=CCNC(=O)CS[13CH3] 62a_200025704644_100000183597 [0,2,0,0,0,0|0,0,2]=4 1805 B8R0.1 C=CCNC(=O)NCC 2708a_100015525214_100020586998 [0,2,0,0,0,0|0,0,2]=4 1806 B8R0.1 C=CCNC(=O)NCC 273464a_100015525214_100020586998 [0,2,0,0,0,0|0,0,2]=4 1807 B8R0.1 C=CCNC(=O)NCC 273464a_100020586998_100015525214 [0,2,0,0,0,0|0,0,2]=4 1808 B8R0.1 C=CCNC(=O)NCC 512a_100015525214_100020586998 [0,2,0,0,0,0|0,0,2]=4 1809 B8R0.1 C=CCNC(=O)NCC 512a_100020586998_100015525214 [0,2,0,0,0,0|0,0,2]=4 1810 B8R0.1 C=CCOC(=O)CNC 2230a_106832991635_100000033060 [0,2,0,0,0,0|0,0,2]=4 1811 B8R0.1 C=CCOC(=O)CNC 34a_100102657272_100000033060 [0,2,0,0,0,0|0,0,2]=4 1812 B8R0.1 C=CCOC(=O)CNC 7a_106832991635_100000033060 [0,2,0,0,0,0|0,0,2]=4 1813 B8R0.1 C=CCOC(=O)COC 34a_100138415774_100000033060 [0,2,0,0,0,0|0,0,2]=4 1814 B8R0.1 C=CCOC(=O)CSC 62a_100000033060_200000210301 [0,2,0,0,0,0|0,0,2]=4 1815 B8R0.1 C=CCOC(=O)CSC 62a_200000210301_100000033060 [0,2,0,0,0,0|0,0,2]=4 1816 B8R0.1 C=CCOC(=O)CS[13CH3] 62a_100000033060_200025704644 [0,2,0,0,0,0|0,0,2]=4 1817 B8R0.1 C=CCOC(=O)CS[13CH3] 62a_200025704644_100000033060 [0,2,0,0,0,0|0,0,2]=4 1818 B8R0.1 C=COC(=O)CNCC 2230a_100015525214_100000036128 [0,2,0,0,0,0|1,0,1]=4 1819 B8R0.1 C=COC(=O)COCC 34a_100121572206_100000036128 [0,2,0,0,0,0|1,0,1]=4 1820 B8R0.1 C=COC(=O)CSCC 62a_100000036128_100000210202 [0,2,0,0,0,0|1,0,1]=4 1821 B8R0.1 C=COC(=O)CSCC 62a_100000210202_100000036128 [0,2,0,0,0,0|1,0,1]=4 1822 B8R0.1 C=COC(=O)CSCF 62a_100000036128_100015361967 [0,2,0,0,0,0|1,0,1]=4 1823 B8R0.1 C=COC(=O)CSCF 62a_100015361967_100000036128 [0,2,0,0,0,0|1,0,1]=4 1824 B8R0.1 CC#CC(=O)C/C=C/C 1458a_100000763181_100102629194 [0,2,0,0,0,0|0,0,1]=3 1825 B8R0.1 CC#CC(=O)CC=CC 1458a_100000763181_100000070051 [0,2,0,0,0,0|0,0,1]=3 1826 B8R0.1 CC#CC(=O)CCC#N 1458a_100000763181_100011215226 [0,2,0,0,0,0|0,0,2]=4 1827 B8R0.1 CC#CC(=O)CCCC 1458a_100000763181_100000210211 [0,2,0,0,0,0|0,0,2]=4 1828 B8R0.1 CC#CC(=O)CCCF 1458a_100000763181_100011934791 [0,2,0,0,0,0|0,0,2]=4 1829 B8R0.1 CC#CC(=O)CCCO 1458a_100000763181_100011215043 [0,2,0,0,0,0|0,0,2]=4 1830 B8R0.1 CC#CC(=O)CCOC 1458a_100000763181_100000233755 [0,2,0,0,0,0|0,0,2]=4 1831 B8R0.1 CC#CC(=O)CCSC 1458a_100000763181_100000751147 [0,2,0,0,0,0|0,0,2]=4 1832 B8R0.1 CC#CC(=O)NNCC 22a_100000756455_100000763181 [0,2,0,0,0,0|0,0,2]=4 1833 B8R0.1 CC#CCC(=O)C#CC 1458a_100000763181_100000748600 [0,2,0,0,0,0|0,0,2]=4 1834 B8R0.1 CC#CCC(=O)C=CBr 1458a_100016273825_100000748600 [0,2,0,0,0,0|1,0,0]=3 1835 B8R0.1 CC#CCC(=O)C=CC 1458a_100000210699_100000748600 [0,2,0,0,0,0|0,0,0]=2 1836 B8R0.1 CC#CCC(=O)C=CCl 1458a_200016279998_100000748600 [0,2,0,0,0,0|1,0,0]=3 1837 B8R0.1 CC#CCC(=O)C=CI 1458a_100016256311_100000748600 [0,2,0,0,0,0|1,0,0]=3 1838 B8R0.1 CC#CCC(=O)CCC 1458a_100000211992_100000748600 [0,2,0,0,0,0|0,0,2]=4 1839 B8R0.1 CC#CCC(=O)CCO 1458a_100011216618_100000748600 [0,2,0,0,0,0|0,0,2]=4 1840 B8R0.1 CC#CCC(=O)COC 1458a_100000210968_100000748600 [0,2,0,0,0,0|0,0,2]=4 1841 B8R0.1 CC#CCC(=O)CSC 1458a_100000184570_100000748600 [0,2,0,0,0,0|0,0,2]=4 1842 B8R0.1 CC=CC(=NNCC)C 4a_100000756455_100011218416 [0,2,0,0,0,0|1,0,0]=3 1843 B8R0.1 CC=CC(=O)C/C=C/C 1458a_100000210699_100102629194 [0,2,0,0,0,0|0,0,0]=2 1844 B8R0.1 CC=CC(=O)CCC#N 1458a_100000210699_100011215226 [0,2,0,0,0,0|0,0,0]=2 1845 B8R0.1 CC=CC(=O)CCCC 1458a_100000210699_100000210211 [0,2,0,0,0,0|0,0,0]=2 1846 B8R0.1 CC=CC(=O)CCCF 1458a_100000210699_100011934791 [0,2,0,0,0,0|0,0,0]=2 1847 B8R0.1 CC=CC(=O)CCCO 1458a_100000210699_100011215043 [0,2,0,0,0,0|0,0,0]=2 1848 B8R0.1 CC=CC(=O)CCOC 1458a_100000210699_100000233755 [0,2,0,0,0,0|0,0,0]=2 1849 B8R0.1 CC=CC(=O)CCSC 1458a_100000210699_100000751147 [0,2,0,0,0,0|0,0,0]=2 1850 B8R0.1 CC=CC(=O)NCC#N 1626a_100000734998_100000210699 [0,2,0,0,0,0|0,0,1]=3 1851 B8R0.1 CC=CC(=O)NCCC 11a_100020643023_100000210699 [0,2,0,0,0,0|0,0,0]=2 1852 B8R0.1 CC=CC(=O)NCCC 1626a_100020643023_100000210699 [0,2,0,0,0,0|0,0,0]=2 1853 B8R0.1 CC=CC(=O)NCCC 240690a_100020643023_100000210699 [0,2,0,0,0,0|0,0,0]=2 1854 B8R0.1 CC=CC(=O)NCCF 11a_100000724931_100000210699 [0,2,0,0,0,0|0,0,0]=2 1855 B8R0.1 CC=CC(=O)NCCF 1626a_100000724931_100000210699 [0,2,0,0,0,0|0,0,0]=2 1856 B8R0.1 CC=CC(=O)NCCF 240690a_100000724931_100000210699 [0,2,0,0,0,0|0,0,0]=2 1857 B8R0.1 CC=CC(=O)NCCO 240690a_100000210304_100000210699 [0,2,0,0,0,0|0,0,0]=2 1858 B8R0.1 CC=CC(=O)NNCC 22a_100000756455_100000210699 [0,2,0,0,0,0|0,0,0]=2 1859 B8R0.1 CC=CCC(=O)C=CBr 1458a_100016273825_100000070051 [0,2,0,0,0,0|1,0,0]=3 1860 B8R0.1 CC=CCC(=O)C=CC 1458a_100000210699_100000070051 [0,2,0,0,0,0|0,0,0]=2 1861 B8R0.1 CC=CCC(=O)C=CCl 1458a_200016279998_100000070051 [0,2,0,0,0,0|1,0,0]=3 1862 B8R0.1 CC=CCC(=O)C=CI 1458a_100016256311_100000070051 [0,2,0,0,0,0|1,0,0]=3 1863 B8R0.1 CC=CCC(=O)CC#N 1458a_100051588842_100000070051 [0,2,0,0,0,0|0,0,1]=3 1864 B8R0.1 CC=CCC(=O)CC#N 1458a_100121576822_100011214920 [0,2,0,0,0,0|0,0,1]=3 1865 B8R0.1 CC=CCC(=O)CCC 1458a_100000211992_100000070051 [0,2,0,0,0,0|0,0,0]=2 1866 B8R0.1 CC=CCC(=O)CCC 1458a_100121576822_100000210303 [0,2,0,0,0,0|0,0,0]=2 1867 B8R0.1 CC=CCC(=O)CCF 1458a_100121576822_100011217306 [0,2,0,0,0,0|0,0,0]=2 1868 B8R0.1 CC=CCC(=O)CCO 1458a_100011216618_100000070051 [0,2,0,0,0,0|0,0,0]=2 1869 B8R0.1 CC=CCC(=O)CCO 1458a_100121576822_100000211926 [0,2,0,0,0,0|0,0,0]=2 1870 B8R0.1 CC=CCC(=O)COC 1458a_100000210968_100000070051 [0,2,0,0,0,0|0,0,0]=2 1871 B8R0.1 CC=CCC(=O)CSC 1458a_100000184570_100000070051 [0,2,0,0,0,0|0,0,0]=2 1872 B8R0.1 CC=CCC(=O)NCC 11a_100015525214_100121576822 [0,2,0,0,0,0|0,0,0]=2 1873 B8R0.1 CC=CCC(=O)NCC 240690a_100015525214_100121576822 [0,2,0,0,0,0|0,0,0]=2 1874 B8R0.1 CC=CCC(=O)NCC 527a_100015525214_100121576822 [0,2,0,0,0,0|0,0,0]=2 1875 B8R0.1 CC=CCC(=O)NNC 22a_100016993582_100121576822 [0,2,0,0,0,0|1,0,0]=3 1876 B8R0.1 CC=CCN(C)CCC 2230a_100000747261_100000070051 [0,2,0,0,0,0|2,0,0]=4 1877 B8R0.1 CC=CCN(C)CCO 2230a_100000210263_100000070051 [0,2,0,0,0,0|2,0,0]=4 1878 B8R0.1 CC=NNC(=O)CC#N 4a_100000210509_200000210099 [0,2,0,0,0,0|1,0,1]=4 1879 B8R0.1 CC=NNC(=O)CCC 4a_100000189770_200000210099 [0,2,0,0,0,0|1,0,0]=3 1880 B8R0.1 CC=NNC(=O)COC 4a_100000216845_200000210099 [0,2,0,0,0,0|1,0,0]=3 1881 B8R0.1 CCC#CC(=O)CCC 1458a_100011827653_100000210303 [0,2,0,0,0,0|0,0,2]=4 1882 B8R0.1 CCC#CC(=O)CCF 1458a_100011827653_100011217306 [0,2,0,0,0,0|0,0,2]=4 1883 B8R0.1 CCC#CC(=O)CCO 1458a_100011827653_100000211926 [0,2,0,0,0,0|0,0,2]=4 1884 B8R0.1 CCC#CC(=O)NNC 22a_100016993582_100011827653 [0,2,0,0,0,0|2,0,0]=4 1885 B8R0.1 CCC=CC(=O)CC#N 1458a_100000212282_100011214920 [0,2,0,0,0,0|0,0,1]=3 1886 B8R0.1 CCC=CC(=O)CCC 1458a_100000212282_100000210303 [0,2,0,0,0,0|0,0,0]=2 1887 B8R0.1 CCC=CC(=O)CCF 1458a_100000212282_100011217306 [0,2,0,0,0,0|0,0,0]=2 1888 B8R0.1 CCC=CC(=O)CCO 1458a_100000212282_100000211926 [0,2,0,0,0,0|0,0,0]=2 1889 B8R0.1 CCC=CC(=O)NCC 11a_100015525214_100000212282 [0,2,0,0,0,0|0,0,0]=2 1890 B8R0.1 CCC=CC(=O)NCC 240690a_100015525214_100000212282 [0,2,0,0,0,0|0,0,0]=2 1891 B8R0.1 CCC=CC(=O)NNC 22a_100016993582_100000212282 [0,2,0,0,0,0|1,0,0]=3 1892 B8R0.1 CCCC(=O)C#CCO 1458a_100000049017_100000210303 [0,2,0,0,0,0|0,0,2]=4 1893 B8R0.1 CCCC(=O)C=COC 1458a_100016268678_100000210303 [0,2,0,0,0,0|0,0,0]=2 1894 B8R0.1 CCCC(=O)CCC#N 1458a_100000211992_100011215226 [0,2,0,0,0,0|0,0,2]=4 1895 B8R0.1 CCCC(=O)CCC#N 1458a_100011934036_100000210303 [0,2,0,0,0,0|0,0,2]=4 1896 B8R0.1 CCCC(=O)CCCF 1458a_100000211992_100011934791 [0,2,0,0,0,0|0,0,2]=4 1897 B8R0.1 CCCC(=O)CCCO 1458a_100000211992_100011215043 [0,2,0,0,0,0|0,0,2]=4 1898 B8R0.1 CCCC(=O)CCOC 1458a_100000211992_100000233755 [0,2,0,0,0,0|0,0,2]=4 1899 B8R0.1 CCCC(=O)CCOC 1458a_100000749529_100000210303 [0,2,0,0,0,0|0,0,2]=4 1900 B8R0.1 CCCC(=O)CCSC 1458a_100000174002_100000210303 [0,2,0,0,0,0|0,0,2]=4 1901 B8R0.1 CCCC(=O)CCSC 1458a_100000211992_100000751147 [0,2,0,0,0,0|0,0,2]=4 1902 B8R0.1 CCCC(=O)CNCC 2230a_100015525214_100000747444 [0,2,0,0,0,0|0,0,2]=4 1903 B8R0.1 CCCC(=O)COCC 1458a_100000211967_100000210303 [0,2,0,0,0,0|0,0,2]=4 1904 B8R0.1 CCCC(=O)CSCC 1458a_100000230394_100000210303 [0,2,0,0,0,0|0,0,2]=4 1905 B8R0.1 CCCC(=O)CSCC 62a_100000210202_100000747444 [0,2,0,0,0,0|0,0,2]=4 1906 B8R0.1 CCCC(=O)CSCC 62a_100000747444_100000210202 [0,2,0,0,0,0|0,0,2]=4 1907 B8R0.1 CCCC(=O)CSCF 62a_100000747444_100015361967 [0,2,0,0,0,0|0,0,2]=4 1908 B8R0.1 CCCC(=O)CSCF 62a_100015361967_100000747444 [0,2,0,0,0,0|0,0,2]=4 1909 B8R0.1 CCCC(=O)NCCF 11a_100000724931_100000211992 [0,2,0,0,0,0|0,0,2]=4 1910 B8R0.1 CCCC(=O)NCCF 1626a_100000724931_100000211992 [0,2,0,0,0,0|0,0,2]=4 1911 B8R0.1 CCCC(=O)NCCF 240690a_100000724931_100000211992 [0,2,0,0,0,0|0,0,2]=4 1912 B8R0.1 CCCC(=O)NCCF 527a_100000724931_100000211992 [0,2,0,0,0,0|0,0,2]=4 1913 B8R0.1 CCCC(=O)NCCO 240690a_100000210304_100000211992 [0,2,0,0,0,0|0,0,2]=4 1914 B8R0.1 CCCC(=O)NCCO 527a_100000210304_100000211992 [0,2,0,0,0,0|0,0,2]=4 1915 B8R0.1 CCCC(=O)NNCC 22a_100000756455_100000211992 [0,2,0,0,0,0|0,0,2]=4 1916 B8R0.1 CCCC(=O)OCNC 2230a_106832991635_100000034017 [0,2,0,0,0,0|0,0,2]=4 1917 B8R0.1 CCCC(=O)OCNC 34a_100102657272_100000034017 [0,2,0,0,0,0|0,0,2]=4 1918 B8R0.1 CCCC(=O)OCOC 34a_100138415774_100000034017 [0,2,0,0,0,0|0,0,2]=4 1919 B8R0.1 CCCC(=O)OCSC 62a_200000210301_100000034017 [0,2,0,0,0,0|0,0,2]=4 1920 B8R0.1 CCCC(=O)OCS[13CH3] 62a_200025704644_100000034017 [0,2,0,0,0,0|0,0,2]=4 1921 B8R0.1 CCCCC(=O)C=CBr 1458a_100016273825_100000210211 [0,2,0,0,0,0|1,0,0]=3 1922 B8R0.1 CCCCC(=O)C=CCl 1458a_200016279998_100000210211 [0,2,0,0,0,0|1,0,0]=3 1923 B8R0.1 CCCCC(=O)C=CI 1458a_100016256311_100000210211 [0,2,0,0,0,0|1,0,0]=3 1924 B8R0.1 CCCCC(=O)CCC 1458a_100000210183_100000210303 [0,2,0,0,0,0|0,0,2]=4 1925 B8R0.1 CCCCC(=O)CCC 1458a_100000211992_100000210211 [0,2,0,0,0,0|0,0,2]=4 1926 B8R0.1 CCCCC(=O)CCF 1458a_100000210183_100011217306 [0,2,0,0,0,0|0,0,2]=4 1927 B8R0.1 CCCCC(=O)CCO 1458a_100000210183_100000211926 [0,2,0,0,0,0|0,0,2]=4 1928 B8R0.1 CCCCC(=O)CCO 1458a_100011216618_100000210211 [0,2,0,0,0,0|0,0,2]=4 1929 B8R0.1 CCCCC(=O)COC 1458a_100000210968_100000210211 [0,2,0,0,0,0|0,0,2]=4 1930 B8R0.1 CCCCC(=O)CSC 1458a_100000184570_100000210211 [0,2,0,0,0,0|0,0,2]=4 1931 B8R0.1 CCCCC(=O)NCC 11a_100015525214_100000210183 [0,2,0,0,0,0|0,0,2]=4 1932 B8R0.1 CCCCC(=O)NCC 240690a_100015525214_100000210183 [0,2,0,0,0,0|0,0,2]=4 1933 B8R0.1 CCCCC(=O)NCC 527a_100015525214_100000210183 [0,2,0,0,0,0|0,0,2]=4 1934 B8R0.1 CCCCC(=O)NNC 22a_100016993582_100000210183 [0,2,0,0,0,0|2,0,0]=4 1935 B8R0.1 CCCNC(=O)C=CBr 1626a_100020643023_100016273825 [0,2,0,0,0,0|1,0,0]=3 1936 B8R0.1 CCCNC(=O)C=CBr 240690a_100020643023_100016273825 [0,2,0,0,0,0|1,0,0]=3 1937 B8R0.1 CCCNC(=O)C=CCl 11a_100020643023_200016279998 [0,2,0,0,0,0|1,0,0]=3 1938 B8R0.1 CCCNC(=O)C=CCl 1626a_100020643023_200016279998 [0,2,0,0,0,0|1,0,0]=3 1939 B8R0.1 CCCNC(=O)C=CCl 240690a_100020643023_200016279998 [0,2,0,0,0,0|1,0,0]=3 1940 B8R0.1 CCCNC(=O)C=CI 1626a_100020643023_100016256311 [0,2,0,0,0,0|1,0,0]=3 1941 B8R0.1 CCCNC(=O)CCC 11a_100020643023_100000211992 [0,2,0,0,0,0|0,0,2]=4 1942 B8R0.1 CCCNC(=O)CCC 1626a_100020643023_100000211992 [0,2,0,0,0,0|0,0,2]=4 1943 B8R0.1 CCCNC(=O)CCC 240690a_100020643023_100000211992 [0,2,0,0,0,0|0,0,2]=4 1944 B8R0.1 CCCNC(=O)CCC 527a_100020643023_100000211992 [0,2,0,0,0,0|0,0,2]=4 1945 B8R0.1 CCCNC(=O)CCO 240690a_100020643023_100011216618 [0,2,0,0,0,0|0,0,2]=4 1946 B8R0.1 CCCNC(=O)CNC 2230a_100000174927_200000210301 [0,2,0,0,0,0|0,0,2]=4 1947 B8R0.1 CCCNC(=O)CNC 2230a_106832991635_100000183358 [0,2,0,0,0,0|0,0,2]=4 1948 B8R0.1 CCCNC(=O)CNC 34a_100102657272_100000183358 [0,2,0,0,0,0|0,0,2]=4 1949 B8R0.1 CCCNC(=O)CNC 7a_106832991635_100000183358 [0,2,0,0,0,0|0,0,2]=4 1950 B8R0.1 CCCNC(=O)CN[13CH3] 2230a_100000174927_200025704644 [0,2,0,0,0,0|0,0,2]=4 1951 B8R0.1 CCCNC(=O)COC 11a_100020643023_100000210968 [0,2,0,0,0,0|0,0,2]=4 1952 B8R0.1 CCCNC(=O)COC 1626a_100020643023_100000210968 [0,2,0,0,0,0|0,0,2]=4 1953 B8R0.1 CCCNC(=O)COC 240690a_100020643023_100000210968 [0,2,0,0,0,0|0,0,2]=4 1954 B8R0.1 CCCNC(=O)COC 34a_100138415774_100000183358 [0,2,0,0,0,0|0,0,2]=4 1955 B8R0.1 CCCNC(=O)COC 527a_100020643023_100000210968 [0,2,0,0,0,0|0,0,2]=4 1956 B8R0.1 CCCNC(=O)CSC 11a_100020643023_100000184570 [0,2,0,0,0,0|0,0,2]=4 1957 B8R0.1 CCCNC(=O)CSC 1626a_100020643023_100000184570 [0,2,0,0,0,0|0,0,2]=4 1958 B8R0.1 CCCNC(=O)CSC 240690a_100020643023_100000184570 [0,2,0,0,0,0|0,0,2]=4 1959 B8R0.1 CCCNC(=O)CSC 527a_100020643023_100000184570 [0,2,0,0,0,0|0,0,2]=4 1960 B8R0.1 CCCNC(=O)CSC 62a_100000183358_200000210301 [0,2,0,0,0,0|0,0,2]=4 1961 B8R0.1 CCCNC(=O)CSC 62a_200000210301_100000183358 [0,2,0,0,0,0|0,0,2]=4 1962 B8R0.1 CCCNC(=O)CS[13CH3] 62a_100000183358_200025704644 [0,2,0,0,0,0|0,0,2]=4 1963 B8R0.1 CCCNC(=O)CS[13CH3] 62a_200025704644_100000183358 [0,2,0,0,0,0|0,0,2]=4 1964 B8R0.1 CCCNC(=O)NCC 2708a_100015525214_100020643023 [0,2,0,0,0,0|0,0,2]=4 1965 B8R0.1 CCCNC(=O)NCC 2708a_100020643023_100015525214 [0,2,0,0,0,0|0,0,2]=4 1966 B8R0.1 CCCNC(=O)NCC 273464a_100015525214_100020643023 [0,2,0,0,0,0|0,0,2]=4 1967 B8R0.1 CCCNC(=O)NCC 273464a_100020643023_100015525214 [0,2,0,0,0,0|0,0,2]=4 1968 B8R0.1 CCCNC(=O)NCC 512a_100015525214_100020643023 [0,2,0,0,0,0|0,0,2]=4 1969 B8R0.1 CCCNC(=O)NCC 512a_100020643023_100015525214 [0,2,0,0,0,0|0,0,2]=4 1970 B8R0.1 CCCNC(=O)NNC 273464a_100020643023_100016993582 [0,2,0,0,0,0|2,0,0]=4 1971 B8R0.1 CCCNC(=O)NNC 512a_100016993582_100020643023 [0,2,0,0,0,0|2,0,0]=4 1972 B8R0.1 CCCNC(=O)NNC 512a_100020643023_100016993582 [0,2,0,0,0,0|2,0,0]=4 1973 B8R0.1 CCCOC(=O)CNC 2230a_106832991635_200011215008 [0,2,0,0,0,0|0,0,2]=4 1974 B8R0.1 CCCOC(=O)CNC 34a_100102657272_200011215008 [0,2,0,0,0,0|0,0,2]=4 1975 B8R0.1 CCCOC(=O)CNC 7a_106832991635_200011215008 [0,2,0,0,0,0|0,0,2]=4 1976 B8R0.1 CCCOC(=O)COC 34a_100138415774_200011215008 [0,2,0,0,0,0|0,0,2]=4 1977 B8R0.1 CCCOC(=O)CSC 62a_200000210301_200011215008 [0,2,0,0,0,0|0,0,2]=4 1978 B8R0.1 CCCOC(=O)CSC 62a_200011215008_200000210301 [0,2,0,0,0,0|0,0,2]=4 1979 B8R0.1 CCCOC(=O)CS[13CH3] 62a_200011215008_200025704644 [0,2,0,0,0,0|0,0,2]=4 1980 B8R0.1 CCCOC(=O)CS[13CH3] 62a_200025704644_200011215008 [0,2,0,0,0,0|0,0,2]=4 1981 B8R0.1 CCNC(=O)C=COC 240690a_100015525214_100016268678 [0,2,0,0,0,0|0,0,0]=2 1982 B8R0.1 CCNC(=O)CCC#N 11a_100015525214_100011934036 [0,2,0,0,0,0|1,0,1]=4 1983 B8R0.1 CCNC(=O)CCC#N 240690a_100015525214_100011934036 [0,2,0,0,0,0|1,0,1]=4 1984 B8R0.1 CCNC(=O)CCC#N 527a_100015525214_100011934036 [0,2,0,0,0,0|1,0,1]=4 1985 B8R0.1 CCNC(=O)CCNC 2230a_106832991635_100000737597 [0,2,0,0,0,0|0,0,2]=4 1986 B8R0.1 CCNC(=O)CCNC 34a_100025743525_200000210301 [0,2,0,0,0,0|0,0,2]=4 1987 B8R0.1 CCNC(=O)CCNC 7a_106832991635_100000737597 [0,2,0,0,0,0|0,0,2]=4 1988 B8R0.1 CCNC(=O)CCN[13CH3] 34a_100025743525_200025704644 [0,2,0,0,0,0|0,0,2]=4 1989 B8R0.1 CCNC(=O)CCOC 11a_100015525214_100000749529 [0,2,0,0,0,0|0,0,2]=4 1990 B8R0.1 CCNC(=O)CCOC 240690a_100015525214_100000749529 [0,2,0,0,0,0|0,0,2]=4 1991 B8R0.1 CCNC(=O)CCOC 527a_100015525214_100000749529 [0,2,0,0,0,0|0,0,2]=4 1992 B8R0.1 CCNC(=O)CCSC 11a_100015525214_100000174002 [0,2,0,0,0,0|0,0,2]=4 1993 B8R0.1 CCNC(=O)CCSC 240690a_100015525214_100000174002 [0,2,0,0,0,0|0,0,2]=4 1994 B8R0.1 CCNC(=O)CCSC 527a_100015525214_100000174002 [0,2,0,0,0,0|0,0,2]=4 1995 B8R0.1 CCNC(=O)CCSC 62a_100000737597_200000210301 [0,2,0,0,0,0|0,0,2]=4 1996 B8R0.1 CCNC(=O)CCSC 62a_200000210301_100000737597 [0,2,0,0,0,0|0,0,2]=4 1997 B8R0.1 CCNC(=O)CCS[13CH3] 62a_100000737597_200025704644 [0,2,0,0,0,0|0,0,2]=4 1998 B8R0.1 CCNC(=O)CCS[13CH3] 62a_200025704644_100000737597 [0,2,0,0,0,0|0,0,2]=4 1999 B8R0.1 CCNC(=O)COCC 11a_100015525214_100000211967 [0,2,0,0,0,0|0,0,2]=4 2000 B8R0.1 CCNC(=O)COCC 240690a_100015525214_100000211967 [0,2,0,0,0,0|0,0,2]=4 2001 B8R0.1 CCNC(=O)COCC 34a_100121572206_100000183381 [0,2,0,0,0,0|0,0,2]=4 2002 B8R0.1 CCNC(=O)COCC 527a_100015525214_100000211967 [0,2,0,0,0,0|0,0,2]=4 2003 B8R0.1 CCNC(=O)CSCC 11a_100015525214_100000230394 [0,2,0,0,0,0|0,0,2]=4 2004 B8R0.1 CCNC(=O)CSCC 240690a_100015525214_100000230394 [0,2,0,0,0,0|0,0,2]=4 2005 B8R0.1 CCNC(=O)CSCC 527a_100015525214_100000230394 [0,2,0,0,0,0|0,0,2]=4 2006 B8R0.1 CCNC(=O)CSCC 62a_100000183381_100000210202 [0,2,0,0,0,0|0,0,2]=4 2007 B8R0.1 CCNC(=O)CSCC 62a_100000210202_100000183381 [0,2,0,0,0,0|0,0,2]=4 2008 B8R0.1 CCNC(=O)CSCF 62a_100000183381_100015361967 [0,2,0,0,0,0|1,0,1]=4 2009 B8R0.1 CCNC(=O)CSCF 62a_100015361967_100000183381 [0,2,0,0,0,0|1,0,1]=4 2010 B8R0.1 CCNC(=O)NCCF 2708a_100015525214_100000724931 [0,2,0,0,0,0|1,0,1]=4 2011 B8R0.1 CCNC(=O)NCCF 273464a_100000724931_100015525214 [0,2,0,0,0,0|1,0,1]=4 2012 B8R0.1 CCNC(=O)NCCF 273464a_100015525214_100000724931 [0,2,0,0,0,0|1,0,1]=4 2013 B8R0.1 CCNC(=O)NCCF 512a_100015525214_100000724931 [0,2,0,0,0,0|1,0,1]=4 2014 B8R0.1 CCNC(=O)NCCO 2708a_100015525214_100000210304 [0,2,0,0,0,0|1,0,1]=4 2015 B8R0.1 CCNC(=O)NCCO 273464a_100000210304_100015525214 [0,2,0,0,0,0|1,0,1]=4 2016 B8R0.1 CCNC(=O)NCCO 273464a_100015525214_100000210304 [0,2,0,0,0,0|1,0,1]=4 2017 B8R0.1 CCNC(=O)NCCO 512a_100015525214_100000210304 [0,2,0,0,0,0|1,0,1]=4 2018 B8R0.1 CCNCC(=O)NCC 2230a_100015525214_100000183381 [0,2,0,0,0,0|0,0,2]=4 2019 B8R0.1 CCNCC(=O)NCC 2230a_100016988866_100000210202 [0,2,0,0,0,0|0,0,2]=4 2020 B8R0.1 CCNCC(=O)OCC 2230a_100015525214_100000188475 [0,2,0,0,0,0|0,0,2]=4 2021 B8R0.1 CCNNC(=O)CCO 22a_100000756455_100011216618 [0,2,0,0,0,0|1,0,1]=4 2022 B8R0.1 CCNNC(=O)COC 22a_100000756455_100000210968 [0,2,0,0,0,0|1,0,1]=4 2023 B8R0.1 CCNNC(=O)CSC 22a_100000756455_100000184570 [0,2,0,0,0,0|1,0,1]=4 2024 B8R0.1 CCNNC(=O)NCC 273464a_100015525214_100000756455 [0,2,0,0,0,0|1,0,1]=4 2025 B8R0.1 CCNNC(=O)NCC 512a_100000756455_100015525214 [0,2,0,0,0,0|1,0,1]=4 2026 B8R0.1 CCNNC(=O)NCC 512a_100015525214_100000756455 [0,2,0,0,0,0|1,0,1]=4 2027 B8R0.1 CCNNC(=O)NNC 512a_100000756455_100016993582 [0,2,0,0,0,0|2,0,0]=4 2028 B8R0.1 CCNNC(=O)NNC 512a_100016993582_100000756455 [0,2,0,0,0,0|2,0,0]=4 2029 B8R0.1 CCOC(=O)CCNC 2230a_106832991635_100011206558 [0,2,0,0,0,0|0,0,2]=4 2030 B8R0.1 CCOC(=O)CCNC 34a_100102657272_100000765890 [0,2,0,0,0,0|0,0,2]=4 2031 B8R0.1 CCOC(=O)CCNC 7a_106832991635_100011206558 [0,2,0,0,0,0|0,0,2]=4 2032 B8R0.1 CCOC(=O)CCOC 34a_100138415774_100000765890 [0,2,0,0,0,0|0,0,2]=4 2033 B8R0.1 CCOC(=O)CCSC 62a_100000765890_200000210301 [0,2,0,0,0,0|0,0,2]=4 2034 B8R0.1 CCOC(=O)CCSC 62a_200000210301_100000765890 [0,2,0,0,0,0|0,0,2]=4 2035 B8R0.1 CCOC(=O)CCS[13CH3] 62a_100000765890_200025704644 [0,2,0,0,0,0|0,0,2]=4 2036 B8R0.1 CCOC(=O)CCS[13CH3] 62a_200025704644_100000765890 [0,2,0,0,0,0|0,0,2]=4 2037 B8R0.1 CCOC(=O)CSCC 62a_100000188475_100000210202 [0,2,0,0,0,0|0,0,2]=4 2038 B8R0.1 CCOC(=O)CSCC 62a_100000210202_100000188475 [0,2,0,0,0,0|0,0,2]=4 2039 B8R0.1 CCOC(=O)CSCF 62a_100000188475_100015361967 [0,2,0,0,0,0|1,0,1]=4 2040 B8R0.1 CCOC(=O)CSCF 62a_100015361967_100000188475 [0,2,0,0,0,0|1,0,1]=4 2041 B8R0.1 CCOC(=O)OCSC 62a_200000210301_100000075025 [0,2,0,0,0,0|1,0,1]=4 2042 B8R0.1 CCOC(=O)OCS[13CH3] 62a_200025704644_100000075025 [0,2,0,0,0,0|1,0,1]=4 2043 B8R0.1 CCOCC(=O)CCF 1458a_100000211967_100011217306 [0,2,0,0,0,0|0,0,2]=4 2044 B8R0.1 CCOCC(=O)CCO 1458a_100000211967_100000211926 [0,2,0,0,0,0|0,0,2]=4 2045 B8R0.1 CCOCC(=O)NNC 22a_100016993582_100000211967 [0,2,0,0,0,0|2,0,0]=4 2046 B8R0.1 CCOCC(=O)OCC 34a_100121572206_100000188475 [0,2,0,0,0,0|0,0,2]=4 2047 B8R0.1 CCSCC(=O)CCF 1458a_100000230394_100011217306 [0,2,0,0,0,0|0,0,2]=4 2048 B8R0.1 CCSCC(=O)CCO 1458a_100000230394_100000211926 [0,2,0,0,0,0|0,0,2]=4 2049 B8R0.1 CCSCC(=O)NNC 22a_100016993582_100000230394 [0,2,0,0,0,0|2,0,0]=4 2050 B8R0.1 CNCC(=O)NCCF 2230a_100000725713_200000210301 [0,2,0,0,0,0|1,0,1]=4 2051 B8R0.1 CNNC(=O)C=COC 22a_100016993582_100016268678 [0,2,0,0,0,0|1,0,0]=3 2052 B8R0.1 CNNC(=O)CCC#N 22a_100016993582_100011934036 [0,2,0,0,0,0|2,0,0]=4 2053 B8R0.1 CNNC(=O)CCOC 22a_100016993582_100000749529 [0,2,0,0,0,0|2,0,0]=4 2054 B8R0.1 CNNC(=O)CCSC 22a_100016993582_100000174002 [0,2,0,0,0,0|2,0,0]=4 2055 B8R0.1 CNNC(=O)NCCF 273464a_100000724931_100016993582 [0,2,0,0,0,0|2,0,0]=4 2056 B8R0.1 CNNC(=O)NCCF 512a_100016993582_100000724931 [0,2,0,0,0,0|2,0,0]=4 2057 B8R0.1 CNNC(=O)NCCO 273464a_100000210304_100016993582 [0,2,0,0,0,0|2,0,0]=4 2058 B8R0.1 CNNC(=O)NCCO 512a_100016993582_100000210304 [0,2,0,0,0,0|2,0,0]=4 2059 B8R0.1 COC=CC(=O)CC#N 1458a_100016268678_100011214920 [0,2,0,0,0,0|0,0,1]=3 2060 B8R0.1 COC=CC(=O)CCF 1458a_100016268678_100011217306 [0,2,0,0,0,0|0,0,0]=2 2061 B8R0.1 COC=CC(=O)CCO 1458a_100016268678_100000211926 [0,2,0,0,0,0|0,0,0]=2 2062 B8R0.1 COCC(=O)CCC#N 1458a_100000210968_100011215226 [0,2,0,0,0,0|1,0,1]=4 2063 B8R0.1 COCC(=O)CCCF 1458a_100000210968_100011934791 [0,2,0,0,0,0|0,0,2]=4 2064 B8R0.1 COCC(=O)CCCO 1458a_100000210968_100011215043 [0,2,0,0,0,0|0,0,2]=4 2065 B8R0.1 COCC(=O)CCSC 1458a_100000210968_100000751147 [0,2,0,0,0,0|0,0,2]=4 2066 B8R0.1 COCC(=O)NCCF 11a_100000724931_100000210968 [0,2,0,0,0,0|1,0,1]=4 2067 B8R0.1 COCC(=O)NCCF 1626a_100000724931_100000210968 [0,2,0,0,0,0|1,0,1]=4 2068 B8R0.1 COCC(=O)NCCF 240690a_100000724931_100000210968 [0,2,0,0,0,0|1,0,1]=4 2069 B8R0.1 COCC(=O)NCCF 527a_100000724931_100000210968 [0,2,0,0,0,0|1,0,1]=4 2070 B8R0.1 COCC(=O)NCCO 240690a_100000210304_100000210968 [0,2,0,0,0,0|1,0,1]=4 2071 B8R0.1 COCC(=O)NCCO 527a_100000210304_100000210968 [0,2,0,0,0,0|1,0,1]=4 2072 B8R0.1 COCCC(=O)C=CBr 1458a_100016273825_100000233755 [0,2,0,0,0,0|1,0,0]=3 2073 B8R0.1 COCCC(=O)C=CCl 1458a_200016279998_100000233755 [0,2,0,0,0,0|1,0,0]=3 2074 B8R0.1 COCCC(=O)C=CI 1458a_100016256311_100000233755 [0,2,0,0,0,0|1,0,0]=3 2075 B8R0.1 COCCC(=O)CCF 1458a_100000749529_100011217306 [0,2,0,0,0,0|0,0,2]=4 2076 B8R0.1 COCCC(=O)CCO 1458a_100000749529_100000211926 [0,2,0,0,0,0|0,0,2]=4 2077 B8R0.1 COCCC(=O)CCO 1458a_100011216618_100000233755 [0,2,0,0,0,0|0,0,2]=4 2078 B8R0.1 COCCC(=O)COC 1458a_100000210968_100000233755 [0,2,0,0,0,0|0,0,2]=4 2079 B8R0.1 COCCC(=O)CSC 1458a_100000184570_100000233755 [0,2,0,0,0,0|0,0,2]=4 2080 B8R0.1 CSCC(=O)CCC#N 1458a_100000184570_100011215226 [0,2,0,0,0,0|1,0,1]=4 2081 B8R0.1 CSCC(=O)CCCF 1458a_100000184570_100011934791 [0,2,0,0,0,0|0,0,2]=4 2082 B8R0.1 CSCC(=O)CCCO 1458a_100000184570_100011215043 [0,2,0,0,0,0|0,0,2]=4 2083 B8R0.1 CSCC(=O)NCCF 11a_100000724931_100000184570 [0,2,0,0,0,0|1,0,1]=4 2084 B8R0.1 CSCC(=O)NCCF 1626a_100000724931_100000184570 [0,2,0,0,0,0|1,0,1]=4 2085 B8R0.1 CSCC(=O)NCCF 240690a_100000724931_100000184570 [0,2,0,0,0,0|1,0,1]=4 2086 B8R0.1 CSCC(=O)NCCF 527a_100000724931_100000184570 [0,2,0,0,0,0|1,0,1]=4 2087 B8R0.1 CSCC(=O)NCCO 240690a_100000210304_100000184570 [0,2,0,0,0,0|1,0,1]=4 2088 B8R0.1 CSCC(=O)NCCO 527a_100000210304_100000184570 [0,2,0,0,0,0|1,0,1]=4 2089 B8R0.1 CSCCC(=O)C=CBr 1458a_100016273825_100000751147 [0,2,0,0,0,0|1,0,0]=3 2090 B8R0.1 CSCCC(=O)C=CCl 1458a_200016279998_100000751147 [0,2,0,0,0,0|1,0,0]=3 2091 B8R0.1 CSCCC(=O)C=CI 1458a_100016256311_100000751147 [0,2,0,0,0,0|1,0,0]=3 2092 B8R0.1 CSCCC(=O)CCF 1458a_100000174002_100011217306 [0,2,0,0,0,0|0,0,2]=4 2093 B8R0.1 CSCCC(=O)CCO 1458a_100000174002_100000211926 [0,2,0,0,0,0|0,0,2]=4 2094 B8R0.1 CSCCC(=O)CCO 1458a_100011216618_100000751147 [0,2,0,0,0,0|0,0,2]=4 2095 B8R0.1 CSCCC(=O)CSC 1458a_100000184570_100000751147 [0,2,0,0,0,0|0,0,2]=4 2096 B8R0.1 N#CCCC(=O)C=CBr 1458a_100016273825_100011215226 [0,2,0,0,0,0|1,0,0]=3 2097 B8R0.1 N#CCCC(=O)C=CCl 1458a_200016279998_100011215226 [0,2,0,0,0,0|1,0,0]=3 2098 B8R0.1 N#CCCC(=O)C=CI 1458a_100016256311_100011215226 [0,2,0,0,0,0|1,0,0]=3 2099 B8R0.1 N#CCNC(=O)C=CBr 1626a_100000734998_100016273825 [0,2,0,0,0,0|1,0,1]=4 2100 B8R0.1 N#CCNC(=O)C=CCl 1626a_100000734998_200016279998 [0,2,0,0,0,0|1,0,1]=4 2101 B8R0.1 N#CCNC(=O)C=CI 1626a_100000734998_100016256311 [0,2,0,0,0,0|1,0,1]=4 2102 B8R0.1 O=C(C#CCO)CCF 1458a_100000049017_100011217306 [0,2,0,0,0,0|0,0,2]=4 2103 B8R0.1 O=C(C#CCO)CCO 1458a_100000049017_100000211926 [0,2,0,0,0,0|0,0,2]=4 2104 B8R0.1 O=C(C=CBr)CCCF 1458a_100016273825_100011934791 [0,2,0,0,0,0|1,0,0]=3 2105 B8R0.1 O=C(C=CBr)CCCO 1458a_100016273825_100011215043 [0,2,0,0,0,0|1,0,0]=3 2106 B8R0.1 O=C(C=CBr)NCCF 1626a_100000724931_100016273825 [0,2,0,0,0,0|1,0,0]=3 2107 B8R0.1 O=C(C=CBr)NCCF 240690a_100000724931_100016273825 [0,2,0,0,0,0|1,0,0]=3 2108 B8R0.1 O=C(C=CBr)NCCO 240690a_100000210304_100016273825 [0,2,0,0,0,0|1,0,0]=3 2109 B8R0.1 O=C(C=CCl)CCCF 1458a_200016279998_100011934791 [0,2,0,0,0,0|1,0,0]=3 2110 B8R0.1 O=C(C=CCl)CCCO 1458a_200016279998_100011215043 [0,2,0,0,0,0|1,0,0]=3 2111 B8R0.1 O=C(C=CCl)NCCF 11a_100000724931_200016279998 [0,2,0,0,0,0|1,0,0]=3 2112 B8R0.1 O=C(C=CCl)NCCF 1626a_100000724931_200016279998 [0,2,0,0,0,0|1,0,0]=3 2113 B8R0.1 O=C(C=CCl)NCCF 240690a_100000724931_200016279998 [0,2,0,0,0,0|1,0,0]=3 2114 B8R0.1 O=C(C=CCl)NCCO 240690a_100000210304_200016279998 [0,2,0,0,0,0|1,0,0]=3 2115 B8R0.1 O=C(C=CI)CCCF 1458a_100016256311_100011934791 [0,2,0,0,0,0|1,0,0]=3 2116 B8R0.1 O=C(C=CI)CCCO 1458a_100016256311_100011215043 [0,2,0,0,0,0|1,0,0]=3 2117 B8R0.1 O=C(C=CI)NCCF 1626a_100000724931_100016256311 [0,2,0,0,0,0|1,0,0]=3 2118 B8R0.1 O=C(CCO)CCCF 1458a_100011216618_100011934791 [0,2,0,0,0,0|0,0,2]=4 2119 B8R0.1 O=C(CCO)CCCO 1458a_100011216618_100011215043 [0,2,0,0,0,0|0,0,2]=4 2120 B8R0.1 O=C(CCO)NCCF 240690a_100000724931_100011216618 [0,2,0,0,0,0|1,0,1]=4 2121 B8R0.1 O=C(CCO)NCCO 240690a_100000210304_100011216618 [0,2,0,0,0,0|1,0,1]=4 2122 B8R0.1 [13CH3]NCC(=O)NCCF 2230a_100000725713_200025704644 [0,2,0,0,0,0|1,0,1]=4 2123 B8R0.3 C#CC(C)C(=O)C#CC 1458a_100000763181_200000035995 [0,2,0,0,0,0|0,0,2]=4 2124 B8R0.3 C#CC(C)C(=O)C=CBr 1458a_100016273825_200000035995 [0,2,0,0,0,0|1,0,0]=3 2125 B8R0.3 C#CC(C)C(=O)C=CC 1458a_100000210699_200000035995 [0,2,0,0,0,0|0,0,0]=2 2126 B8R0.3 C#CC(C)C(=O)C=CCl 1458a_200016279998_200000035995 [0,2,0,0,0,0|1,0,0]=3 2127 B8R0.3 C#CC(C)C(=O)C=CI 1458a_100016256311_200000035995 [0,2,0,0,0,0|1,0,0]=3 2128 B8R0.3 C#CC(C)C(=O)CC=C 1458a_100000210193_200000035995 [0,2,0,0,0,0|0,0,2]=4 2129 B8R0.3 C#CC(C)C(=O)CCC 1458a_100000211992_200000035995 [0,2,0,0,0,0|0,0,2]=4 2130 B8R0.3 C#CC(C)C(=O)COC 1458a_100000210968_200000035995 [0,2,0,0,0,0|1,0,1]=4 2131 B8R0.3 C#CC(C)C(=O)CSC 1458a_100000184570_200000035995 [0,2,0,0,0,0|1,0,1]=4 2132 B8R0.3 C#CCC(=O)/C(=C/C)/C 1458a_100020587367_100000184674 [0,2,0,0,0,0|0,0,1]=3 2133 B8R0.3 C#CCC(=O)C(=O)NC 1458a_100011218921_100000184674 [0,2,0,0,0,0|1,0,1]=4 2134 B8R0.3 C/C=C(\C)/C(=O)CC#N 1458a_100020587367_100011214920 [0,2,0,0,0,0|0,0,1]=3 2135 B8R0.3 C/C=C(\C)/C(=O)CCC 1458a_100020587367_100000210303 [0,2,0,0,0,0|0,0,0]=2 2136 B8R0.3 C/C=C(\C)/C(=O)CCF 1458a_100020587367_100011217306 [0,2,0,0,0,0|0,0,0]=2 2137 B8R0.3 C/C=C(\C)/C(=O)CCO 1458a_100020587367_100000211926 [0,2,0,0,0,0|0,0,0]=2 2138 B8R0.3 C/C=C(\C)/C(=O)NCC 11a_100015525214_100020587367 [0,2,0,0,0,0|0,0,0]=2 2139 B8R0.3 C/C=C(\C)/C(=O)NNC 22a_100016993582_100020587367 [0,2,0,0,0,0|1,0,0]=3 2140 B8R0.3 C/C=C(\C)/C(C)NCC 269862a_100015525214_100020675665 [0,2,0,0,0,0|1,0,1]=4 2141 B8R0.3 C=C(CNC)C(=O)OC 34a_100102657272_100009813391 [0,2,0,0,0,0|1,0,1]=4 2142 B8R0.3 C=C(COC)C(=O)OC 34a_100138415774_100009813391 [0,2,0,0,0,0|1,0,1]=4 2143 B8R0.3 C=C(CSC)C(=O)OC 62a_100009813391_200000210301 [0,2,0,0,0,0|1,0,1]=4 2144 B8R0.3 C=C(CSC)C(=O)OC 62a_200000210301_100009813391 [0,2,0,0,0,0|1,0,1]=4 2145 B8R0.3 C=C(CS[13CH3])C(=O)OC 62a_100009813391_200025704644 [0,2,0,0,0,0|1,0,1]=4 2146 B8R0.3 C=C(CS[13CH3])C(=O)OC 62a_200025704644_100009813391 [0,2,0,0,0,0|1,0,1]=4 2147 B8R0.3 C=CC(C)C(=O)CCC 1458a_100011216780_100000210303 [0,2,0,0,0,0|0,0,2]=4 2148 B8R0.3 C=CC(C)C(=O)CCF 1458a_100011216780_100011217306 [0,2,0,0,0,0|0,0,2]=4 2149 B8R0.3 C=CC(C)C(=O)CCO 1458a_100011216780_100000211926 [0,2,0,0,0,0|0,0,2]=4 2150 B8R0.3 C=CC(C)C(=O)NCC 11a_100015525214_100011216780 [0,2,0,0,0,0|0,0,2]=4 2151 B8R0.3 C=CC(C)C(=O)NCC 240690a_100015525214_100011216780 [0,2,0,0,0,0|0,0,2]=4 2152 B8R0.3 C=CC(C)C(=O)NCC 527a_100015525214_100011216780 [0,2,0,0,0,0|0,0,2]=4 2153 B8R0.3 C=CC(C)C(=O)NNC 22a_100016993582_100011216780 [0,2,0,0,0,0|2,0,0]=4 2154 B8R0.3 C=CCC(=O)/C(=C/C)/C 1458a_100020587367_100000210623 [0,2,0,0,0,0|0,0,1]=3 2155 B8R0.3 C=CCC(=O)C(=O)NC 1458a_100011218921_100000210623 [0,2,0,0,0,0|1,0,1]=4 2156 B8R0.3 C=CCC(=O)C(C)C#N 1458a_100000210193_100000703298 [0,2,0,0,0,0|0,0,2]=4 2157 B8R0.3 C=CCC(=O)C(C)C#N 1458a_100000753662_100000210623 [0,2,0,0,0,0|0,0,2]=4 2158 B8R0.3 C=CCC(=O)C(C)C=C 1458a_100011216780_100000210623 [0,2,0,0,0,0|0,0,2]=4 2159 B8R0.3 C=CCC(=O)C(C)CC 1458a_100000210193_100000758301 [0,2,0,0,0,0|0,0,2]=4 2160 B8R0.3 C=CCC(=O)C(C)CC 1458a_100011192722_100000210623 [0,2,0,0,0,0|0,0,2]=4 2161 B8R0.3 C=CCC(=O)C(C)OC 1458a_100000743197_100000210623 [0,2,0,0,0,0|0,0,2]=4 2162 B8R0.3 C=CCC(=O)C(C)SC 1458a_100000149566_100000210623 [0,2,0,0,0,0|0,0,2]=4 2163 B8R0.3 C=CCC(=O)C(O)CC 1458a_100011196387_100000210623 [0,2,0,0,0,0|0,0,2]=4 2164 B8R0.3 C=CCC(=O)C(O)CO 1458a_100011215603_100000210623 [0,2,0,0,0,0|0,0,2]=4 2165 B8R0.3 C=CCC(=O)N(C)CC 11a_100000225621_100000210193 [0,2,0,0,0,0|0,0,2]=4 2166 B8R0.3 C=CCC(=O)N(C)CC 1626a_100000225621_100000210193 [0,2,0,0,0,0|0,0,2]=4 2167 B8R0.3 C=CCC(=O)N(C)CC 240690a_100000225621_100000210193 [0,2,0,0,0,0|0,0,2]=4 2168 B8R0.3 C=CCC(=O)N(C)CC 527a_100000225621_100000210193 [0,2,0,0,0,0|0,0,2]=4 2169 B8R0.3 C=CCC(C)C(=O)CC 1458a_100011216819_100000210202 [0,2,0,0,0,0|0,0,2]=4 2170 B8R0.3 C=CCN(C)C(=O)CC 11a_100000225617_100000210414 [0,2,0,0,0,0|0,0,2]=4 2171 B8R0.3 C=CCN(C)C(=O)CC 1626a_100000225617_100000210414 [0,2,0,0,0,0|0,0,2]=4 2172 B8R0.3 C=CCN(C)C(=O)CC 240690a_100000225617_100000210414 [0,2,0,0,0,0|0,0,2]=4 2173 B8R0.3 C=CCN(C)C(=O)CC 527a_100000225617_100000210414 [0,2,0,0,0,0|0,0,2]=4 2174 B8R0.3 CC#CC(=O)C(C)C#N 1458a_100000763181_100000703298 [0,2,0,0,0,0|0,0,2]=4 2175 B8R0.3 CC#CC(=O)C(C)CC 1458a_100000763181_100000758301 [0,2,0,0,0,0|0,0,2]=4 2176 B8R0.3 CC(C#N)C(=O)C=CBr 1458a_100016273825_100000703298 [0,2,0,0,0,0|1,0,0]=3 2177 B8R0.3 CC(C#N)C(=O)C=CCl 1458a_200016279998_100000703298 [0,2,0,0,0,0|1,0,0]=3 2178 B8R0.3 CC(C#N)C(=O)C=CI 1458a_100016256311_100000703298 [0,2,0,0,0,0|1,0,0]=3 2179 B8R0.3 CC/C=C(\C)/C(=O)CC 1458a_100016988807_100000210202 [0,2,0,0,0,0|0,0,0]=2 2180 B8R0.3 CC/C=C(\C)/C(=O)CF 1458a_100016988807_100015361967 [0,2,0,0,0,0|1,0,0]=3 2181 B8R0.3 CC/C=C(\C)/C(=O)NC 11a_106832991635_100016988807 [0,2,0,0,0,0|1,0,0]=3 2182 B8R0.3 CC/C=C(\C)/C(=O)NC 1626a_100102657272_100016988807 [0,2,0,0,0,0|1,0,0]=3 2183 B8R0.3 CC/C=C(\C)/C(=O)NC 240690a_100102657272_100016988807 [0,2,0,0,0,0|1,0,0]=3 2184 B8R0.3 CC/C=C(\C)/C(=O)NC 527a_100102657272_100016988807 [0,2,0,0,0,0|1,0,0]=3 2185 B8R0.3 CC=CC(=O)C(C)C#N 1458a_100000210699_100000703298 [0,2,0,0,0,0|0,0,0]=2 2186 B8R0.3 CC=CC(=O)C(C)CC 1458a_100000210699_100000758301 [0,2,0,0,0,0|0,0,0]=2 2187 B8R0.3 CC=CC(=O)N(C)CC 11a_100000225621_100000210699 [0,2,0,0,0,0|0,0,0]=2 2188 B8R0.3 CC=CC(=O)N(C)CC 1626a_100000225621_100000210699 [0,2,0,0,0,0|0,0,0]=2 2189 B8R0.3 CC=CC(=O)N(C)CC 240690a_100000225621_100000210699 [0,2,0,0,0,0|0,0,0]=2 2190 B8R0.3 CCC(=O)/C(=N/OC)/C 1458a_100160996864_100000210202 [0,2,0,0,0,0|1,0,0]=3 2191 B8R0.3 CCC(=O)C(C)CCO 1458a_100000210414_100009893172 [0,2,0,0,0,0|0,0,2]=4 2192 B8R0.3 CCC(=O)C(C)COC 1458a_100000210414_100000765312 [0,2,0,0,0,0|0,0,2]=4 2193 B8R0.3 CCC(=O)C(C)COC 1458a_100000751857_100000210202 [0,2,0,0,0,0|0,0,2]=4 2194 B8R0.3 CCC(=O)C(C)CSC 1458a_100000753918_100000210202 [0,2,0,0,0,0|0,0,2]=4 2195 B8R0.3 CCC(=O)C(C)SCF 62a_100000742827_100015361967 [0,2,0,0,0,0|1,0,1]=4 2196 B8R0.3 CCC(=O)C(C)SCF 62a_100015361967_100000742827 [0,2,0,0,0,0|1,0,1]=4 2197 B8R0.3 CCC(=O)N(C)CCO 240690a_100000210263_100000210414 [0,2,0,0,0,0|1,0,1]=4 2198 B8R0.3 CCC(=O)N(C)CCO 527a_100000210263_100000210414 [0,2,0,0,0,0|1,0,1]=4 2199 B8R0.3 CCC(C)C(=O)C=CBr 1458a_100016273825_100000758301 [0,2,0,0,0,0|1,0,0]=3 2200 B8R0.3 CCC(C)C(=O)C=CCl 1458a_200016279998_100000758301 [0,2,0,0,0,0|1,0,0]=3 2201 B8R0.3 CCC(C)C(=O)C=CI 1458a_100016256311_100000758301 [0,2,0,0,0,0|1,0,0]=3 2202 B8R0.3 CCC(C)C(=O)CCF 1458a_100011192722_100011217306 [0,2,0,0,0,0|0,0,2]=4 2203 B8R0.3 CCC(C)C(=O)CCO 1458a_100011192722_100000211926 [0,2,0,0,0,0|0,0,2]=4 2204 B8R0.3 CCC(C)C(=O)CCO 1458a_100011216618_100000758301 [0,2,0,0,0,0|0,0,2]=4 2205 B8R0.3 CCC(C)C(=O)COC 1458a_100000210968_100000758301 [0,2,0,0,0,0|0,0,2]=4 2206 B8R0.3 CCC(C)C(=O)CSC 1458a_100000184570_100000758301 [0,2,0,0,0,0|0,0,2]=4 2207 B8R0.3 CCC(C)C(=O)NNC 22a_100016993582_100011192722 [0,2,0,0,0,0|2,0,0]=4 2208 B8R0.3 CCC(O)C(=O)CCF 1458a_100011196387_100011217306 [0,2,0,0,0,0|0,0,2]=4 2209 B8R0.3 CCC(O)C(=O)CCO 1458a_100011196387_100000211926 [0,2,0,0,0,0|0,0,2]=4 2210 B8R0.3 CCC(O)C(=O)NNC 22a_100016993582_100011196387 [0,2,0,0,0,0|2,0,0]=4 2211 B8R0.3 CCCC(=O)C(=O)NC 1458a_100011218921_100000210303 [0,2,0,0,0,0|1,0,0]=3 2212 B8R0.3 CCCC(=O)C(C)C#N 1458a_100000211992_100000703298 [0,2,0,0,0,0|0,0,2]=4 2213 B8R0.3 CCCC(=O)C(C)C#N 1458a_100000753662_100000210303 [0,2,0,0,0,0|0,0,2]=4 2214 B8R0.3 CCCC(=O)C(C)CC 1458a_100000211992_100000758301 [0,2,0,0,0,0|0,0,2]=4 2215 B8R0.3 CCCC(=O)C(C)CC 1458a_100011192722_100000210303 [0,2,0,0,0,0|0,0,2]=4 2216 B8R0.3 CCCC(=O)C(C)OC 1458a_100000743197_100000210303 [0,2,0,0,0,0|0,0,2]=4 2217 B8R0.3 CCCC(=O)C(C)SC 1458a_100000149566_100000210303 [0,2,0,0,0,0|0,0,2]=4 2218 B8R0.3 CCCC(=O)C(O)CC 1458a_100011196387_100000210303 [0,2,0,0,0,0|0,0,2]=4 2219 B8R0.3 CCCC(=O)C(O)CO 1458a_100011215603_100000210303 [0,2,0,0,0,0|0,0,2]=4 2220 B8R0.3 CCCC(=O)N(C)CC 11a_100000225621_100000211992 [0,2,0,0,0,0|0,0,2]=4 2221 B8R0.3 CCCC(=O)N(C)CC 1626a_100000225621_100000211992 [0,2,0,0,0,0|0,0,2]=4 2222 B8R0.3 CCCC(=O)N(C)CC 240690a_100000225621_100000211992 [0,2,0,0,0,0|0,0,2]=4 2223 B8R0.3 CCCC(=O)N(C)CC 527a_100000225621_100000211992 [0,2,0,0,0,0|0,0,2]=4 2224 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210414_100000766640 [0,2,0,0,0,0|0,0,2]=4 2225 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210906_100000210202 [0,2,0,0,0,0|0,0,2]=4 2226 B8R0.3 CCCN(C)C(=O)CC 11a_100000747261_100000210414 [0,2,0,0,0,0|0,0,2]=4 2227 B8R0.3 CCCN(C)C(=O)CC 1626a_100000747261_100000210414 [0,2,0,0,0,0|0,0,2]=4 2228 B8R0.3 CCCN(C)C(=O)CC 240690a_100000747261_100000210414 [0,2,0,0,0,0|0,0,2]=4 2229 B8R0.3 CCCN(C)C(=O)CC 527a_100000747261_100000210414 [0,2,0,0,0,0|0,0,2]=4 2230 B8R0.3 CCC[C@H](O)C(=O)CC 1458a_100009822183_100000210202 [0,2,0,0,0,0|0,0,2]=4 2231 B8R0.3 CCN(C)C(=O)C=CBr 1626a_100000225621_100016273825 [0,2,0,0,0,0|1,0,0]=3 2232 B8R0.3 CCN(C)C(=O)C=CBr 240690a_100000225621_100016273825 [0,2,0,0,0,0|1,0,0]=3 2233 B8R0.3 CCN(C)C(=O)C=CCl 11a_100000225621_200016279998 [0,2,0,0,0,0|1,0,0]=3 2234 B8R0.3 CCN(C)C(=O)C=CCl 1626a_100000225621_200016279998 [0,2,0,0,0,0|1,0,0]=3 2235 B8R0.3 CCN(C)C(=O)C=CCl 240690a_100000225621_200016279998 [0,2,0,0,0,0|1,0,0]=3 2236 B8R0.3 CCN(C)C(=O)C=CI 1626a_100000225621_100016256311 [0,2,0,0,0,0|1,0,0]=3 2237 B8R0.3 CCN(C)C(=O)CCO 240690a_100000225621_100011216618 [0,2,0,0,0,0|1,0,1]=4 2238 B8R0.3 CCN(C)C(=O)CNC 2230a_106832991635_100000738999 [0,2,0,0,0,0|1,0,1]=4 2239 B8R0.3 CCN(C)C(=O)CNC 34a_100102657272_100000738999 [0,2,0,0,0,0|1,0,1]=4 2240 B8R0.3 CCN(C)C(=O)CNC 7a_106832991635_100000738999 [0,2,0,0,0,0|1,0,1]=4 2241 B8R0.3 CCN(C)C(=O)COC 11a_100000225621_100000210968 [0,2,0,0,0,0|1,0,1]=4 2242 B8R0.3 CCN(C)C(=O)COC 1626a_100000225621_100000210968 [0,2,0,0,0,0|1,0,1]=4 2243 B8R0.3 CCN(C)C(=O)COC 240690a_100000225621_100000210968 [0,2,0,0,0,0|1,0,1]=4 2244 B8R0.3 CCN(C)C(=O)COC 34a_100138415774_100000738999 [0,2,0,0,0,0|1,0,1]=4 2245 B8R0.3 CCN(C)C(=O)COC 527a_100000225621_100000210968 [0,2,0,0,0,0|1,0,1]=4 2246 B8R0.3 CCN(C)C(=O)CSC 11a_100000225621_100000184570 [0,2,0,0,0,0|1,0,1]=4 2247 B8R0.3 CCN(C)C(=O)CSC 1626a_100000225621_100000184570 [0,2,0,0,0,0|1,0,1]=4 2248 B8R0.3 CCN(C)C(=O)CSC 240690a_100000225621_100000184570 [0,2,0,0,0,0|1,0,1]=4 2249 B8R0.3 CCN(C)C(=O)CSC 527a_100000225621_100000184570 [0,2,0,0,0,0|1,0,1]=4 2250 B8R0.3 CCN(C)C(=O)CSC 62a_100000738999_200000210301 [0,2,0,0,0,0|1,0,1]=4 2251 B8R0.3 CCN(C)C(=O)CSC 62a_200000210301_100000738999 [0,2,0,0,0,0|1,0,1]=4 2252 B8R0.3 CCN(C)C(=O)CS[13CH3] 62a_100000738999_200025704644 [0,2,0,0,0,0|1,0,1]=4 2253 B8R0.3 CCN(C)C(=O)CS[13CH3] 62a_200025704644_100000738999 [0,2,0,0,0,0|1,0,1]=4 2254 B8R0.3 CCNC(=O)C(=O)CC 1458a_200011297158_100000210202 [0,2,0,0,0,0|0,0,1]=3 2255 B8R0.3 CCNC(=O)C(=O)CF 1458a_200011297158_100015361967 [0,2,0,0,0,0|1,0,1]=4 2256 B8R0.3 CCNC(=O)C(=O)NC 1626a_100102657272_200011297158 [0,2,0,0,0,0|1,0,0]=3 2257 B8R0.3 CCNC(=O)C(=O)NC 240690a_100015525214_100011218921 [0,2,0,0,0,0|1,0,0]=3 2258 B8R0.3 CCNC(=O)C(=O)NC 240690a_100102657272_200011297158 [0,2,0,0,0,0|1,0,0]=3 2259 B8R0.3 CCNC(=O)C(=O)NC 527a_100015525214_100011218921 [0,2,0,0,0,0|1,0,0]=3 2260 B8R0.3 CCNC(=O)C(=O)NC 527a_100102657272_200011297158 [0,2,0,0,0,0|1,0,0]=3 2261 B8R0.3 CCNC(=O)C(=O)OC 11a_100015525214_100000024059 [0,2,0,0,0,0|1,0,0]=3 2262 B8R0.3 CCNC(=O)C(=O)OC 240690a_100015525214_100000024059 [0,2,0,0,0,0|1,0,0]=3 2263 B8R0.3 CCNC(=O)C(=O)OC 527a_100015525214_100000024059 [0,2,0,0,0,0|1,0,0]=3 2264 B8R0.3 CCNC(=O)C(C)C#N 11a_100015525214_100000753662 [0,2,0,0,0,0|1,0,1]=4 2265 B8R0.3 CCNC(=O)C(C)C#N 240690a_100015525214_100000753662 [0,2,0,0,0,0|1,0,1]=4 2266 B8R0.3 CCNC(=O)C(C)C#N 527a_100015525214_100000753662 [0,2,0,0,0,0|1,0,1]=4 2267 B8R0.3 CCNC(=O)C(C)CC 11a_100015525214_100011192722 [0,2,0,0,0,0|0,0,2]=4 2268 B8R0.3 CCNC(=O)C(C)CC 240690a_100015525214_100011192722 [0,2,0,0,0,0|0,0,2]=4 2269 B8R0.3 CCNC(=O)C(C)CC 527a_100015525214_100011192722 [0,2,0,0,0,0|0,0,2]=4 2270 B8R0.3 CCNC(=O)C(C)NC 2230a_100000736553_200000210301 [0,2,0,0,0,0|1,0,1]=4 2271 B8R0.3 CCNC(=O)C(C)NC 2230a_106832991635_100000230173 [0,2,0,0,0,0|1,0,1]=4 2272 B8R0.3 CCNC(=O)C(C)NC 34a_100000736553_200000210301 [0,2,0,0,0,0|1,0,1]=4 2273 B8R0.3 CCNC(=O)C(C)NC 34a_100102657272_100000230173 [0,2,0,0,0,0|1,0,1]=4 2274 B8R0.3 CCNC(=O)C(C)NC 7a_106832991635_100000230173 [0,2,0,0,0,0|1,0,1]=4 2275 B8R0.3 CCNC(=O)C(C)N[13CH3] 2230a_100000736553_200025704644 [0,2,0,0,0,0|1,0,1]=4 2276 B8R0.3 CCNC(=O)C(C)N[13CH3] 34a_100000736553_200025704644 [0,2,0,0,0,0|1,0,1]=4 2277 B8R0.3 CCNC(=O)C(C)OC 11a_100015525214_100000743197 [0,2,0,0,0,0|1,0,1]=4 2278 B8R0.3 CCNC(=O)C(C)OC 240690a_100015525214_100000743197 [0,2,0,0,0,0|1,0,1]=4 2279 B8R0.3 CCNC(=O)C(C)OC 34a_100138415774_100000230173 [0,2,0,0,0,0|1,0,1]=4 2280 B8R0.3 CCNC(=O)C(C)OC 527a_100015525214_100000743197 [0,2,0,0,0,0|1,0,1]=4 2281 B8R0.3 CCNC(=O)C(C)SC 11a_100015525214_100000149566 [0,2,0,0,0,0|1,0,1]=4 2282 B8R0.3 CCNC(=O)C(C)SC 240690a_100015525214_100000149566 [0,2,0,0,0,0|1,0,1]=4 2283 B8R0.3 CCNC(=O)C(C)SC 527a_100015525214_100000149566 [0,2,0,0,0,0|1,0,1]=4 2284 B8R0.3 CCNC(=O)C(C)SC 62a_100000230173_200000210301 [0,2,0,0,0,0|1,0,1]=4 2285 B8R0.3 CCNC(=O)C(C)SC 62a_200000210301_100000230173 [0,2,0,0,0,0|1,0,1]=4 2286 B8R0.3 CCNC(=O)C(C)S[13CH3] 62a_100000230173_200025704644 [0,2,0,0,0,0|1,0,1]=4 2287 B8R0.3 CCNC(=O)C(C)S[13CH3] 62a_200025704644_100000230173 [0,2,0,0,0,0|1,0,1]=4 2288 B8R0.3 CCNC(=O)C(O)CC 240690a_100015525214_100011196387 [0,2,0,0,0,0|0,0,2]=4 2289 B8R0.3 CCNC(=O)C(O)CO 240690a_100015525214_100011215603 [0,2,0,0,0,0|1,0,1]=4 2290 B8R0.3 CCNC(=O)N(C)CC 2708a_100015525214_100000225621 [0,2,0,0,0,0|1,0,1]=4 2291 B8R0.3 CCNC(=O)N(C)CC 273464a_100015525214_100000225621 [0,2,0,0,0,0|1,0,1]=4 2292 B8R0.3 CCNC(C)C(=O)CC 2230a_100015525214_100000742827 [0,2,0,0,0,0|0,0,2]=4 2293 B8R0.3 CCOC(=O)C(=O)NC 11a_106832991635_100014798877 [0,2,0,0,0,0|1,0,0]=3 2294 B8R0.3 CCOC(=O)C(=O)NC 1626a_100102657272_100014798877 [0,2,0,0,0,0|1,0,0]=3 2295 B8R0.3 CCOC(=O)C(=O)NC 240690a_100102657272_100014798877 [0,2,0,0,0,0|1,0,0]=3 2296 B8R0.3 CCOC(=O)C(C)NC 2230a_106832991635_100011215307 [0,2,0,0,0,0|1,0,1]=4 2297 B8R0.3 CCOC(=O)C(C)NC 34a_100102657272_100011216346 [0,2,0,0,0,0|1,0,1]=4 2298 B8R0.3 CCOC(=O)C(C)NC 7a_106832991635_100011216346 [0,2,0,0,0,0|1,0,1]=4 2299 B8R0.3 CCOC(=O)C(C)OC 34a_100138415774_100011216346 [0,2,0,0,0,0|1,0,1]=4 2300 B8R0.3 CCOC(=O)C(C)SC 62a_100011216346_200000210301 [0,2,0,0,0,0|1,0,1]=4 2301 B8R0.3 CCOC(=O)C(C)SC 62a_200000210301_100011216346 [0,2,0,0,0,0|1,0,1]=4 2302 B8R0.3 CCOC(=O)C(C)S[13CH3] 62a_100011216346_200025704644 [0,2,0,0,0,0|1,0,1]=4 2303 B8R0.3 CCOC(=O)C(C)S[13CH3] 62a_200025704644_100011216346 [0,2,0,0,0,0|1,0,1]=4 2304 B8R0.3 CCOC(=O)C(F)NC 2230a_106832991635_100000760018 [0,2,0,0,0,0|1,0,1]=4 2305 B8R0.3 CCOC(=O)C(F)NC 34a_100102657272_100000760018 [0,2,0,0,0,0|1,0,1]=4 2306 B8R0.3 CCOC(=O)C(F)NC 7a_106832991635_100000040065 [0,2,0,0,0,0|1,0,1]=4 2307 B8R0.3 CCOC(=O)C(F)OC 34a_100138415774_100000760018 [0,2,0,0,0,0|1,0,1]=4 2308 B8R0.3 CCOC(=O)C(F)SC 62a_100000760018_200000210301 [0,2,0,0,0,0|1,0,1]=4 2309 B8R0.3 CCOC(=O)C(F)SC 62a_200000210301_100000760018 [0,2,0,0,0,0|1,0,1]=4 2310 B8R0.3 CCOC(=O)C(F)S[13CH3] 62a_100000760018_200025704644 [0,2,0,0,0,0|1,0,1]=4 2311 B8R0.3 CCOC(=O)C(F)S[13CH3] 62a_200025704644_100000760018 [0,2,0,0,0,0|1,0,1]=4 2312 B8R0.3 CCOC(=O)[C@H](C)OC 7a_100000751109_200000210301 [0,2,0,0,0,0|1,0,1]=4 2313 B8R0.3 CCOC(=O)[C@H](C)O[13CH3] 7a_100000751109_200025704644 [0,2,0,0,0,0|1,0,1]=4 2314 B8R0.3 CCOC(C)C(=O)CC 1458a_100000739345_100000210202 [0,2,0,0,0,0|0,0,2]=4 2315 B8R0.3 CCSC(=O)[C@H](C)NC 2230a_100103168634_200000210301 [0,2,0,0,0,0|1,0,1]=4 2316 B8R0.3 CCSC(=O)[C@H](C)N[13CH3] 2230a_100103168634_200025704644 [0,2,0,0,0,0|1,0,1]=4 2317 B8R0.3 CCSC(C)C(=O)CC 1458a_100000230601_100000210202 [0,2,0,0,0,0|0,0,2]=4 2318 B8R0.3 CCSC(C)C(=O)CC 62a_100000210202_100000742827 [0,2,0,0,0,0|0,0,2]=4 2319 B8R0.3 CCSC(C)C(=O)CC 62a_100000742827_100000210202 [0,2,0,0,0,0|0,0,2]=4 2320 B8R0.3 CNC(=O)/C(=N/OC)/C 11a_106832991635_100160996864 [0,2,0,0,0,0|2,0,0]=4 2321 B8R0.3 CNC(=O)/C(=N/OC)/C 240690a_100102657272_100160996864 [0,2,0,0,0,0|2,0,0]=4 2322 B8R0.3 CNC(=O)C(=O)CC#N 1458a_100011218921_100011214920 [0,2,0,0,0,0|1,0,1]=4 2323 B8R0.3 CNC(=O)C(=O)CCF 1458a_100011218921_100011217306 [0,2,0,0,0,0|1,0,0]=3 2324 B8R0.3 CNC(=O)C(=O)CCO 1458a_100011218921_100000211926 [0,2,0,0,0,0|1,0,0]=3 2325 B8R0.3 CNCC(=O)C(=O)OC 34a_100102657272_100011610305 [0,2,0,0,0,0|1,0,0]=3 2326 B8R0.3 CNCC(=O)N(C)OC 2230a_100015207273_200000210301 [0,2,0,0,0,0|2,0,0]=4 2327 B8R0.3 CNCC(=O)N(C)OC 2230a_106832991635_100000764215 [0,2,0,0,0,0|2,0,0]=4 2328 B8R0.3 CNCC(=O)N(C)OC 7a_106832991635_100000764215 [0,2,0,0,0,0|2,0,0]=4 2329 B8R0.3 CNNC(=O)C(=O)NC 22a_100016993582_100011218921 [0,2,0,0,0,0|2,0,0]=4 2330 B8R0.3 CNNC(=O)C(C)C#N 22a_100016993582_100000753662 [0,2,0,0,0,0|2,0,0]=4 2331 B8R0.3 CNNC(=O)C(C)OC 22a_100016993582_100000743197 [0,2,0,0,0,0|2,0,0]=4 2332 B8R0.3 CNNC(=O)C(C)SC 22a_100016993582_100000149566 [0,2,0,0,0,0|2,0,0]=4 2333 B8R0.3 CNNC(=O)C(O)CO 22a_100016993582_100011215603 [0,2,0,0,0,0|2,0,0]=4 2334 B8R0.3 CO/N=C(\C)/C(=O)CF 1458a_100160996864_100015361967 [0,2,0,0,0,0|2,0,0]=4 2335 B8R0.3 COC(=O)C(=O)CSC 62a_100011610305_200000210301 [0,2,0,0,0,0|1,0,0]=3 2336 B8R0.3 COC(=O)C(=O)CSC 62a_200000210301_100011610305 [0,2,0,0,0,0|1,0,0]=3 2337 B8R0.3 COC(=O)C(=O)CS[13CH3] 62a_100011610305_200025704644 [0,2,0,0,0,0|1,0,0]=3 2338 B8R0.3 COC(=O)C(=O)CS[13CH3] 62a_200025704644_100011610305 [0,2,0,0,0,0|1,0,0]=3 2339 B8R0.3 COC(C)C(=O)CCF 1458a_100000743197_100011217306 [0,2,0,0,0,0|1,0,1]=4 2340 B8R0.3 COC(C)C(=O)CCO 1458a_100000743197_100000211926 [0,2,0,0,0,0|1,0,1]=4 2341 B8R0.3 COCC(=O)C(=O)OC 34a_100138415774_100011610305 [0,2,0,0,0,0|1,0,0]=3 2342 B8R0.3 COCC(=O)C(C)C#N 1458a_100000210968_100000703298 [0,2,0,0,0,0|1,0,1]=4 2343 B8R0.3 CON(C)C(=O)CN[13CH3] 2230a_100015207273_200025704644 [0,2,0,0,0,0|2,0,0]=4 2344 B8R0.3 CON(C)C(=O)CSC 62a_100000764215_200000210301 [0,2,0,0,0,0|2,0,0]=4 2345 B8R0.3 CON(C)C(=O)CSC 62a_200000210301_100000764215 [0,2,0,0,0,0|2,0,0]=4 2346 B8R0.3 CON(C)C(=O)CS[13CH3] 62a_100000764215_200025704644 [0,2,0,0,0,0|2,0,0]=4 2347 B8R0.3 CON(C)C(=O)CS[13CH3] 62a_200025704644_100000764215 [0,2,0,0,0,0|2,0,0]=4 2348 B8R0.3 CSC(C)C(=O)CCF 1458a_100000149566_100011217306 [0,2,0,0,0,0|1,0,1]=4 2349 B8R0.3 CSC(C)C(=O)CCO 1458a_100000149566_100000211926 [0,2,0,0,0,0|1,0,1]=4 2350 B8R0.3 CSCC(=O)C(C)C#N 1458a_100000184570_100000703298 [0,2,0,0,0,0|1,0,1]=4 2351 B8R0.6 C#CC(=O)C/C=C\CC 1458a_100000211873_100103147603 [0,2,0,0,0,0|0,0,2]=4 2352 B8R0.6 C#CCCCC(=O)CC 1458a_100000210414_100000731252 [0,2,0,0,0,0|0,0,2]=4 2353 B8R0.6 C#CCCCC(=O)CC 1458a_100000690238_100000210202 [0,2,0,0,0,0|0,0,2]=4 2354 B8R0.6 C#CCCNC(=O)CC 11a_100000755551_100000210414 [0,2,0,0,0,0|1,0,1]=4 2355 B8R0.6 C#CCCNC(=O)CC 1626a_100000755551_100000210414 [0,2,0,0,0,0|1,0,1]=4 2356 B8R0.6 C#CCCNC(=O)CC 240690a_100000755551_100000210414 [0,2,0,0,0,0|1,0,1]=4 2357 B8R0.6 C#CCCNC(=O)CC 527a_100000755551_100000210414 [0,2,0,0,0,0|1,0,1]=4 2358 B8R0.6 C#CCOCC(=O)CC 1458a_100011251226_100000210202 [0,2,0,0,0,0|1,0,1]=4 2359 B8R0.6 C#CCOCC(=O)CC 34a_100000725409_100000184674 [0,2,0,0,0,0|1,0,1]=4 2360 B8R0.6 C#CCSCC(=O)CC 62a_100000038162_100000747405 [0,2,0,0,0,0|1,0,1]=4 2361 B8R0.6 C/C=C/C=CC(=O)CC 1458a_100000185730_100000210202 [0,2,0,0,0,0|0,0,0]=2 2362 B8R0.6 C/C=C/C=CC(=O)CF 1458a_100000185730_100015361967 [0,2,0,0,0,0|1,0,0]=3 2363 B8R0.6 C/C=C/C=CC(=O)NC 11a_106832991635_100000185730 [0,2,0,0,0,0|1,0,0]=3 2364 B8R0.6 C/C=C/C=CC(=O)NC 1626a_100102657272_100000185730 [0,2,0,0,0,0|1,0,0]=3 2365 B8R0.6 C/C=C/C=CC(=O)NC 240690a_100102657272_100000185730 [0,2,0,0,0,0|1,0,0]=3 2366 B8R0.6 C/C=C/COC(C)CC 34a_100016270725_100011215416 [0,2,0,0,0,0|1,0,1]=4 2367 B8R0.6 C/C=C/COC(C)CC 7a_100000210228_100102629194 [0,2,0,0,0,0|1,0,1]=4 2368 B8R0.6 C/C=C/CSC(C)CC 62a_100000758301_100102629194 [0,2,0,0,0,0|1,0,1]=4 2369 B8R0.6 C/C=C/CSC(C)CC 62a_100102629194_100000758301 [0,2,0,0,0,0|1,0,1]=4 2370 B8R0.6 C=CC(=O)C/C=C\CC 1458a_100000185746_100103147603 [0,2,0,0,0,0|0,0,2]=4 2371 B8R0.6 C=CCCCC(=O)CC 1458a_100000210414_100000757094 [0,2,0,0,0,0|0,0,2]=4 2372 B8R0.6 C=CCCCC(=O)CC 1458a_100000766728_100000210202 [0,2,0,0,0,0|0,0,2]=4 2373 B8R0.6 C=CCCNC(=O)CC 11a_100015191253_100000210414 [0,2,0,0,0,0|0,0,2]=4 2374 B8R0.6 C=CCCNC(=O)CC 1626a_100015191253_100000210414 [0,2,0,0,0,0|0,0,2]=4 2375 B8R0.6 C=CCCNC(=O)CC 240690a_100015191253_100000210414 [0,2,0,0,0,0|0,0,2]=4 2376 B8R0.6 C=CCCNC(=O)CC 527a_100015191253_100000210414 [0,2,0,0,0,0|0,0,2]=4 2377 B8R0.6 C=CCNNC(=O)CC 22a_100020588587_100000210414 [0,2,0,0,0,0|0,0,2]=4 2378 B8R0.6 C=CCOCC(=O)CC 34a_100000725409_100015514636 [0,2,0,0,0,0|0,0,2]=4 2379 B8R0.6 C=CCSCC(=O)CC 1458a_100000230395_100000210202 [0,2,0,0,0,0|0,0,2]=4 2380 B8R0.6 C=CCSCC(=O)CC 62a_100000210623_100000747405 [0,2,0,0,0,0|0,0,2]=4 2381 B8R0.6 C=CCSCC(=O)CC 62a_100000747405_100000210623 [0,2,0,0,0,0|0,0,2]=4 2382 B8R0.6 C=COCCC(=O)CC 1458a_100000210414_100000039644 [0,2,0,0,0,0|0,0,2]=4 2383 B8R0.6 CC#CCNC(=O)CC 11a_100000685387_100000210414 [0,2,0,0,0,0|0,0,2]=4 2384 B8R0.6 CC#CCNC(=O)CC 1626a_100000685387_100000210414 [0,2,0,0,0,0|0,0,2]=4 2385 B8R0.6 CC#CCNC(=O)CC 527a_100000685387_100000210414 [0,2,0,0,0,0|0,0,2]=4 2386 B8R0.6 CC/C=C/CC(=O)CC 1458a_100016274230_100000210202 [0,2,0,0,0,0|0,0,0]=2 2387 B8R0.6 CC/C=C/CC(=O)CF 1458a_100016274230_100015361967 [0,2,0,0,0,0|1,0,0]=3 2388 B8R0.6 CC/C=C/CC(=O)NC 11a_106832991635_100016274230 [0,2,0,0,0,0|1,0,0]=3 2389 B8R0.6 CC/C=C/CC(=O)NC 1626a_100102657272_100016274230 [0,2,0,0,0,0|1,0,0]=3 2390 B8R0.6 CC/C=C/CC(=O)NC 240690a_100102657272_100016274230 [0,2,0,0,0,0|1,0,0]=3 2391 B8R0.6 CC/C=C/CC(=O)NC 527a_100102657272_100016274230 [0,2,0,0,0,0|1,0,0]=3 2392 B8R0.6 CC/C=C\CC(=O)CC 1458a_100000210414_100103147603 [0,2,0,0,0,0|0,0,0]=2 2393 B8R0.6 CC/C=C\CC(=O)CO 1458a_100000210174_100103147603 [0,2,0,0,0,0|1,0,0]=3 2394 B8R0.6 CC/C=C\CN(C)CC 2230a_100000225621_100103147603 [0,2,0,0,0,0|2,0,0]=4 2395 B8R0.6 CC/C=C\CN(C)CC 269982a_100000225621_100103147603 [0,2,0,0,0,0|2,0,0]=4 2396 B8R0.6 CC=CCNC(C)CC 2230a_100000209981_100000070051 [0,2,0,0,0,0|1,0,1]=4 2397 B8R0.6 CC=CCOC(C)CC 7a_100000210228_100000070051 [0,2,0,0,0,0|1,0,1]=4 2398 B8R0.6 CC=CCSC(C)CC 62a_100000070051_100000758301 [0,2,0,0,0,0|1,0,1]=4 2399 B8R0.6 CC=CCSC(C)CC 62a_100000758301_100000070051 [0,2,0,0,0,0|1,0,1]=4 2400 B8R0.6 CCC#CCC(=O)CC 1458a_100000210414_100009813939 [0,2,0,0,0,0|0,0,2]=4 2401 B8R0.6 CCC(=O)C=CCOC 1458a_100016285016_100000210202 [0,2,0,0,0,0|0,0,0]=2 2402 B8R0.6 CCC(=O)CC#CCO 1458a_100000210414_200000047223 [0,2,0,0,0,0|0,0,2]=4 2403 B8R0.6 CCC(=O)CCCC#N 1458a_100000075515_100000210202 [0,2,0,0,0,0|0,0,2]=4 2404 B8R0.6 CCC(=O)CCCC#N 1458a_100000210414_100000211468 [0,2,0,0,0,0|0,0,2]=4 2405 B8R0.6 CCC(=O)CCCCF 1458a_100000210414_100000729493 [0,2,0,0,0,0|0,0,2]=4 2406 B8R0.6 CCC(=O)CCCCO 1458a_100000210414_100000210776 [0,2,0,0,0,0|0,0,2]=4 2407 B8R0.6 CCC(=O)CCCCO 1458a_100000695505_100000210202 [0,2,0,0,0,0|0,0,2]=4 2408 B8R0.6 CCC(=O)CCCOC 1458a_100000210414_100000740836 [0,2,0,0,0,0|0,0,2]=4 2409 B8R0.6 CCC(=O)CCCOC 1458a_100000741012_100000210202 [0,2,0,0,0,0|0,0,2]=4 2410 B8R0.6 CCC(=O)CCCSC 1458a_100000173376_100000210202 [0,2,0,0,0,0|0,0,2]=4 2411 B8R0.6 CCC(=O)COCC=O 34a_100000725409_200009817547 [0,2,0,0,0,0|1,0,1]=4 2412 B8R0.6 CCC(=O)COCCF 34a_100000725409_100011217306 [0,2,0,0,0,0|0,0,2]=4 2413 B8R0.6 CCC(=O)COCCO 1458a_100000708028_100000210202 [0,2,0,0,0,0|0,0,2]=4 2414 B8R0.6 CCC(=O)COCCO 34a_100000725409_100000211926 [0,2,0,0,0,0|0,0,2]=4 2415 B8R0.6 CCC(=O)COCSC 34a_100000725409_100011218213 [0,2,0,0,0,0|0,0,2]=4 2416 B8R0.6 CCC(=O)CSCC#N 1458a_100000150266_100000210202 [0,2,0,0,0,0|1,0,1]=4 2417 B8R0.6 CCC(=O)CSCC#N 62a_100000747405_100011215382 [0,2,0,0,0,0|1,0,1]=4 2418 B8R0.6 CCC(=O)CSCC#N 62a_100011215382_100000747405 [0,2,0,0,0,0|1,0,1]=4 2419 B8R0.6 CCC(=O)CSCC=O 62a_100000747405_200015260668 [0,2,0,0,0,0|1,0,1]=4 2420 B8R0.6 CCC(=O)CSCC=O 62a_200015260668_100000747405 [0,2,0,0,0,0|1,0,1]=4 2421 B8R0.6 CCC(=O)CSCCF 62a_100000747405_100011217306 [0,2,0,0,0,0|0,0,2]=4 2422 B8R0.6 CCC(=O)CSCCF 62a_100011217306_100000747405 [0,2,0,0,0,0|0,0,2]=4 2423 B8R0.6 CCC(=O)CSCCO 62a_100000211926_100000747405 [0,2,0,0,0,0|0,0,2]=4 2424 B8R0.6 CCC(=O)CSCCO 62a_100000747405_100000211926 [0,2,0,0,0,0|0,0,2]=4 2425 B8R0.6 CCC(=O)CSCOC 62a_100000747405_100000766300 [0,2,0,0,0,0|0,0,2]=4 2426 B8R0.6 CCC(=O)CSCOC 62a_100000766300_100000747405 [0,2,0,0,0,0|0,0,2]=4 2427 B8R0.6 CCC(=O)CSCSC 62a_100000747405_100011218213 [0,2,0,0,0,0|0,0,2]=4 2428 B8R0.6 CCC(=O)CSCSC 62a_100011218213_100000747405 [0,2,0,0,0,0|0,0,2]=4 2429 B8R0.6 CCC(=O)NCCC#N 11a_100000720768_100000210414 [0,2,0,0,0,0|1,0,1]=4 2430 B8R0.6 CCC(=O)NCCC#N 1626a_100000720768_100000210414 [0,2,0,0,0,0|1,0,1]=4 2431 B8R0.6 CCC(=O)NCCC#N 240690a_100000720768_100000210414 [0,2,0,0,0,0|1,0,1]=4 2432 B8R0.6 CCC(=O)NCCC#N 527a_100000720768_100000210414 [0,2,0,0,0,0|1,0,1]=4 2433 B8R0.6 CCC(=O)NCCCF 11a_100015189416_100000210414 [0,2,0,0,0,0|0,0,2]=4 2434 B8R0.6 CCC(=O)NCCCF 1626a_100015189416_100000210414 [0,2,0,0,0,0|0,0,2]=4 2435 B8R0.6 CCC(=O)NCCCF 240690a_100015189416_100000210414 [0,2,0,0,0,0|0,0,2]=4 2436 B8R0.6 CCC(=O)NCCCF 527a_100015189416_100000210414 [0,2,0,0,0,0|0,0,2]=4 2437 B8R0.6 CCC(=O)NCCCO 240690a_100000182051_100000210414 [0,2,0,0,0,0|0,0,2]=4 2438 B8R0.6 CCC(=O)NCCCO 527a_100000182051_100000210414 [0,2,0,0,0,0|0,0,2]=4 2439 B8R0.6 CCC(=O)NCCNC 34a_100132302217_200000210301 [0,2,0,0,0,0|0,0,2]=4 2440 B8R0.6 CCC(=O)NCCN[13CH3] 34a_100132302217_200025704644 [0,2,0,0,0,0|0,0,2]=4 2441 B8R0.6 CCC(=O)NCCOC 1626a_100000209980_100000210414 [0,2,0,0,0,0|0,0,2]=4 2442 B8R0.6 CCC(=O)NCCOC 240690a_100000209980_100000210414 [0,2,0,0,0,0|0,0,2]=4 2443 B8R0.6 CCC(=O)NCCOC 34a_200000158885_200000210301 [0,2,0,0,0,0|0,0,2]=4 2444 B8R0.6 CCC(=O)NCCOC 527a_100000209980_100000210414 [0,2,0,0,0,0|0,0,2]=4 2445 B8R0.6 CCC(=O)NCCOC 7a_200000158885_200000210301 [0,2,0,0,0,0|0,0,2]=4 2446 B8R0.6 CCC(=O)NCCO[13CH3] 34a_200000158885_200025704644 [0,2,0,0,0,0|0,0,2]=4 2447 B8R0.6 CCC(=O)NCCO[13CH3] 7a_200000158885_200025704644 [0,2,0,0,0,0|0,0,2]=4 2448 B8R0.6 CCC(=O)NCCSC 11a_100020590264_100000210414 [0,2,0,0,0,0|0,0,2]=4 2449 B8R0.6 CCC(=O)NCCSC 1626a_100020590264_100000210414 [0,2,0,0,0,0|0,0,2]=4 2450 B8R0.6 CCC(=O)NCCSC 240690a_100020590264_100000210414 [0,2,0,0,0,0|0,0,2]=4 2451 B8R0.6 CCC(=O)NCCSC 527a_100020590264_100000210414 [0,2,0,0,0,0|0,0,2]=4 2452 B8R0.6 CCC(=O)NNCCO 22a_100000210001_100000210414 [0,2,0,0,0,0|1,0,1]=4 2453 B8R0.6 CCC(=O)OCCOC 7a_200000031056_200000210301 [0,2,0,0,0,0|0,0,2]=4 2454 B8R0.6 CCC(=O)OCCO[13CH3] 7a_200000031056_200025704644 [0,2,0,0,0,0|0,0,2]=4 2455 B8R0.6 CCC=NNC(=O)CC 4a_100000183195_100000210100 [0,2,0,0,0,0|0,0,1]=3 2456 B8R0.6 CCCC#CC(=O)CC 1458a_200011218047_100000210202 [0,2,0,0,0,0|0,0,2]=4 2457 B8R0.6 CCCC=CC(=O)CC 1458a_100000212230_100000210202 [0,2,0,0,0,0|0,0,0]=2 2458 B8R0.6 CCCC=CC(=O)CF 1458a_100000212230_100015361967 [0,2,0,0,0,0|1,0,0]=3 2459 B8R0.6 CCCC=CC(=O)NC 11a_106832991635_100000212230 [0,2,0,0,0,0|1,0,0]=3 2460 B8R0.6 CCCC=CC(=O)NC 1626a_100102657272_100000212230 [0,2,0,0,0,0|1,0,0]=3 2461 B8R0.6 CCCC=CC(=O)NC 240690a_100102657272_100000212230 [0,2,0,0,0,0|1,0,0]=3 2462 B8R0.6 CCCCCC(=O)CC 1458a_100000210414_100000210326 [0,2,0,0,0,0|0,0,2]=4 2463 B8R0.6 CCCCCC(=O)CC 1458a_100000212188_100000210202 [0,2,0,0,0,0|0,0,2]=4 2464 B8R0.6 CCCCNC(=O)CC 11a_100000102301_100000210414 [0,2,0,0,0,0|0,0,2]=4 2465 B8R0.6 CCCCNC(=O)CC 1626a_100000102301_100000210414 [0,2,0,0,0,0|0,0,2]=4 2466 B8R0.6 CCCCNC(=O)CC 240690a_100000102301_100000210414 [0,2,0,0,0,0|0,0,2]=4 2467 B8R0.6 CCCCNC(=O)CC 527a_100000102301_100000210414 [0,2,0,0,0,0|0,0,2]=4 2468 B8R0.6 CCCNNC(=O)CC 22a_100000740057_100000210414 [0,2,0,0,0,0|0,0,2]=4 2469 B8R0.6 CCCOCC(=O)CC 1458a_100000745993_100000210202 [0,2,0,0,0,0|0,0,2]=4 2470 B8R0.6 CCCOCC(=O)CC 34a_100000725409_100000210303 [0,2,0,0,0,0|0,0,2]=4 2471 B8R0.6 CCCSCC(=O)CC 1458a_100000217233_100000210202 [0,2,0,0,0,0|0,0,2]=4 2472 B8R0.6 CCCSCC(=O)CC 62a_100000210303_100000747405 [0,2,0,0,0,0|0,0,2]=4 2473 B8R0.6 CCCSCC(=O)CC 62a_100000747405_100000210303 [0,2,0,0,0,0|0,0,2]=4 2474 B8R0.6 CCNN=CC(=O)OC 4a_100000756455_200011823558 [0,2,0,0,0,0|1,0,1]=4 2475 B8R0.6 CCOC=CC(=O)CC 1458a_100016266692_100000210202 [0,2,0,0,0,0|0,0,0]=2 2476 B8R0.6 CCOC=CC(=O)CF 1458a_100016266692_100015361967 [0,2,0,0,0,0|1,0,0]=3 2477 B8R0.6 CCOC=CC(=O)NC 11a_106832991635_100016266692 [0,2,0,0,0,0|1,0,0]=3 2478 B8R0.6 CCOC=CC(=O)NC 1626a_100102657272_100016266692 [0,2,0,0,0,0|1,0,0]=3 2479 B8R0.6 CCOC=CC(=O)NC 240690a_100102657272_100016266692 [0,2,0,0,0,0|1,0,0]=3 2480 B8R0.6 CCOCCC(=O)CC 1458a_100000210414_100011215890 [0,2,0,0,0,0|0,0,2]=4 2481 B8R0.6 CCOCCC(=O)CC 1458a_100000749530_100000210202 [0,2,0,0,0,0|0,0,2]=4 2482 B8R0.6 CCSCCC(=O)CC 1458a_100000210414_100000757381 [0,2,0,0,0,0|0,0,2]=4 2483 B8R0.6 CCSCCC(=O)CC 1458a_100000230768_100000210202 [0,2,0,0,0,0|0,0,2]=4 2484 B8R0.6 CNC(=O)C=CCOC 11a_106832991635_100016285016 [0,2,0,0,0,0|1,0,0]=3 2485 B8R0.6 CNC(=O)C=CCOC 1626a_100102657272_100016285016 [0,2,0,0,0,0|1,0,0]=3 2486 B8R0.6 CNC(=O)C=CCOC 240690a_100102657272_100016285016 [0,2,0,0,0,0|1,0,0]=3 2487 B8R0.6 CNC/C=C/C(=O)OC 2230a_106832991635_100000742655 [0,2,0,0,0,0|1,0,0]=3 2488 B8R0.6 CNC/C=C/C(=O)OC 34a_100102657272_100000742655 [0,2,0,0,0,0|1,0,0]=3 2489 B8R0.6 CNC/C=C/C(=O)OC 7a_106832991635_100000742655 [0,2,0,0,0,0|1,0,0]=3 2490 B8R0.6 COC(=O)/C=C/CSC 62a_100000742655_200000210301 [0,2,0,0,0,0|1,0,0]=3 2491 B8R0.6 COC(=O)/C=C/CSC 62a_200000210301_100000742655 [0,2,0,0,0,0|1,0,0]=3 2492 B8R0.6 COC(=O)/C=C/CS[13CH3] 62a_100000742655_200025704644 [0,2,0,0,0,0|1,0,0]=3 2493 B8R0.6 COC(=O)/C=C/CS[13CH3] 62a_200025704644_100000742655 [0,2,0,0,0,0|1,0,0]=3 2494 B8R0.6 COC/C=C/C(=O)OC 34a_100138415774_100000742655 [0,2,0,0,0,0|1,0,0]=3 2495 B8R0.6 COCC=CC(=O)CF 1458a_100016285016_100015361967 [0,2,0,0,0,0|1,0,0]=3 2496 B8R0.8 C/C=C/CC(=O)C(C)C 1458a_100000210198_100102629194 [0,2,0,0,0,0|0,0,0]=2 2497 B8R0.8 C/C=C/CC(=O)C(C)F 1458a_100000062450_100102629194 [0,2,0,0,0,0|0,0,0]=2 2498 B8R0.8 C/C=C/CC(=O)C(O)O 1458a_100000233687_100102629194 [0,2,0,0,0,0|1,0,0]=3 2499 B8R0.8 C/C=C/CC(=O)[C@@H](C)O 1458a_100000717761_100102629194 [0,2,0,0,0,0|0,0,0]=2 2500 B8R0.8 C/C=C/CC(=O)[C@H](C)O 1458a_217856618621_100102629194 [0,2,0,0,0,0|0,0,0]=2 2501 B8R0.8 C/C=C/CN(C)C(C)C 269982a_200000211004_100102629194 [0,2,0,0,0,0|2,0,0]=4 2502 B8R0.8 C=C(C)C(=O)C/C=C/C 1458a_100000185857_100102629194 [0,2,0,0,0,0|0,0,1]=3 2503 B8R0.8 C=C(C)C(=O)CC=CC 1458a_100000185857_100000070051 [0,2,0,0,0,0|0,0,1]=3 2504 B8R0.8 C=CC=CC(=O)C(C)C 1458a_100016291481_100000210206 [0,2,0,0,0,0|0,0,1]=3 2505 B8R0.8 C=CC=CC(=O)N(C)C 1626a_100102631434_100016291481 [0,2,0,0,0,0|1,0,1]=4 2506 B8R0.8 C=CCCC(=O)C(C)C 1458a_100000210198_100000754431 [0,2,0,0,0,0|0,0,2]=4 2507 B8R0.8 C=CCCC(=O)C(C)C 1458a_100000749702_100000210206 [0,2,0,0,0,0|0,0,2]=4 2508 B8R0.8 C=CCCC(=O)C(C)F 1458a_100000062450_100000754431 [0,2,0,0,0,0|0,0,2]=4 2509 B8R0.8 C=CCCC(=O)[C@@H](C)O 1458a_100000717761_100000754431 [0,2,0,0,0,0|0,0,2]=4 2510 B8R0.8 C=CCCC(=O)[C@H](C)O 1458a_217856618621_100000754431 [0,2,0,0,0,0|0,0,2]=4 2511 B8R0.8 C=CCNC(=O)C(C)C 1626a_100020586998_100000210198 [0,2,0,0,0,0|0,0,2]=4 2512 B8R0.8 C=CCNC(=O)C(C)C 240690a_100020586998_100000210198 [0,2,0,0,0,0|0,0,2]=4 2513 B8R0.8 C=CCNC(=O)C(C)C 527a_100020586998_100000210198 [0,2,0,0,0,0|0,0,2]=4 2514 B8R0.8 C=CCNC(=O)C(C)F 1626a_100020586998_100000062450 [0,2,0,0,0,0|0,0,2]=4 2515 B8R0.8 C=CCNC(=O)C(C)F 240690a_100020586998_100000062450 [0,2,0,0,0,0|0,0,2]=4 2516 B8R0.8 C=CCNC(=O)C(C)F 527a_100020586998_100000062450 [0,2,0,0,0,0|0,0,2]=4 2517 B8R0.8 C=CCNC(=O)[C@@H](C)O 240690a_100020586998_100000717761 [0,2,0,0,0,0|0,0,2]=4 2518 B8R0.8 C=CCNC(=O)[C@H](C)O 1626a_100020586998_217856618621 [0,2,0,0,0,0|0,0,2]=4 2519 B8R0.8 C=CCNC(=O)[C@H](C)O 240690a_100020586998_217856618621 [0,2,0,0,0,0|0,0,2]=4 2520 B8R0.8 CC#CCC(=O)C(C)C 1458a_100000210198_100000748600 [0,2,0,0,0,0|0,0,2]=4 2521 B8R0.8 CC#CCC(=O)C(C)F 1458a_100000062450_100000748600 [0,2,0,0,0,0|0,0,2]=4 2522 B8R0.8 CC#CCC(=O)[C@@H](C)O 1458a_100000717761_100000748600 [0,2,0,0,0,0|0,0,2]=4 2523 B8R0.8 CC#CCC(=O)[C@H](C)O 1458a_217856618621_100000748600 [0,2,0,0,0,0|0,0,2]=4 2524 B8R0.8 CC(C)C(=O)C#CCO 1458a_100000049017_100000210206 [0,2,0,0,0,0|0,0,2]=4 2525 B8R0.8 CC(C)C(=O)CCCF 1458a_100000210198_100011934791 [0,2,0,0,0,0|0,0,2]=4 2526 B8R0.8 CC(C)C(=O)CCCO 1458a_100000210198_100011215043 [0,2,0,0,0,0|0,0,2]=4 2527 B8R0.8 CC(C)C(=O)CSCF 62a_100000753385_100015361967 [0,2,0,0,0,0|1,0,1]=4 2528 B8R0.8 CC(C)C(=O)CSCF 62a_100015361967_100000753385 [0,2,0,0,0,0|1,0,1]=4 2529 B8R0.8 CC(C)C(=O)NCCF 11a_100000724931_100000210198 [0,2,0,0,0,0|1,0,1]=4 2530 B8R0.8 CC(C)C(=O)NCCF 1626a_100000724931_100000210198 [0,2,0,0,0,0|1,0,1]=4 2531 B8R0.8 CC(C)C(=O)NCCF 240690a_100000724931_100000210198 [0,2,0,0,0,0|1,0,1]=4 2532 B8R0.8 CC(C)C(=O)NCCF 527a_100000724931_100000210198 [0,2,0,0,0,0|1,0,1]=4 2533 B8R0.8 CC(C)C(=O)NCCO 240690a_100000210304_100000210198 [0,2,0,0,0,0|1,0,1]=4 2534 B8R0.8 CC(C)C(=O)NCCO 527a_100000210304_100000210198 [0,2,0,0,0,0|1,0,1]=4 2535 B8R0.8 CC(C)C(=O)OCS[13CH3] 62a_100000139345_200025704644 [0,2,0,0,0,0|1,0,1]=4 2536 B8R0.8 CC(C)C(=O)OCS[13CH3] 62a_200025704644_100000139345 [0,2,0,0,0,0|1,0,1]=4 2537 B8R0.8 CC(F)C(=O)CCCF 1458a_100000062450_100011934791 [0,2,0,0,0,0|0,0,2]=4 2538 B8R0.8 CC(F)C(=O)CCCO 1458a_100000062450_100011215043 [0,2,0,0,0,0|0,0,2]=4 2539 B8R0.8 CC(F)C(=O)NCCF 11a_100000724931_100000062450 [0,2,0,0,0,0|1,0,1]=4 2540 B8R0.8 CC(F)C(=O)NCCF 1626a_100000724931_100000062450 [0,2,0,0,0,0|1,0,1]=4 2541 B8R0.8 CC(F)C(=O)NCCF 240690a_100000724931_100000062450 [0,2,0,0,0,0|1,0,1]=4 2542 B8R0.8 CC(F)C(=O)NCCF 527a_100000724931_100000062450 [0,2,0,0,0,0|1,0,1]=4 2543 B8R0.8 CC(F)C(=O)NCCO 240690a_100000210304_100000062450 [0,2,0,0,0,0|1,0,1]=4 2544 B8R0.8 CC(F)C(=O)NCCO 527a_100000210304_100000062450 [0,2,0,0,0,0|1,0,1]=4 2545 B8R0.8 CC=CCC(=O)C(C)C 1458a_100000210198_100000070051 [0,2,0,0,0,0|0,0,0]=2 2546 B8R0.8 CC=CCC(=O)C(C)C 1458a_100121576822_100000210206 [0,2,0,0,0,0|0,0,0]=2 2547 B8R0.8 CC=CCC(=O)C(C)F 1458a_100000062450_100000070051 [0,2,0,0,0,0|0,0,0]=2 2548 B8R0.8 CC=CCC(=O)C(O)O 1458a_100000233687_100000070051 [0,2,0,0,0,0|1,0,0]=3 2549 B8R0.8 CC=CCC(=O)N(C)C 11a_100102631434_100121576822 [0,2,0,0,0,0|1,0,0]=3 2550 B8R0.8 CC=CCC(=O)N(C)C 1626a_100102631434_100121576822 [0,2,0,0,0,0|1,0,0]=3 2551 B8R0.8 CC=CCC(=O)N(C)C 240690a_100102631434_100121576822 [0,2,0,0,0,0|1,0,0]=3 2552 B8R0.8 CC=CCC(=O)N(C)C 527a_100102631434_100121576822 [0,2,0,0,0,0|1,0,0]=3 2553 B8R0.8 CC=CCC(=O)[C@@H](C)O 1458a_100000717761_100000070051 [0,2,0,0,0,0|0,0,0]=2 2554 B8R0.8 CC=CCC(=O)[C@H](C)O 1458a_217856618621_100000070051 [0,2,0,0,0,0|0,0,0]=2 2555 B8R0.8 CC=NNC(=O)C(C)C 4a_100000184118_200000210099 [0,2,0,0,0,0|1,0,0]=3 2556 B8R0.8 CCC#CC(=O)C(C)C 1458a_100011827653_100000210206 [0,2,0,0,0,0|0,0,2]=4 2557 B8R0.8 CCC=CC(=O)C(C)C 1458a_100000212282_100000210206 [0,2,0,0,0,0|0,0,0]=2 2558 B8R0.8 CCC=CC(=O)N(C)C 11a_100102631434_100000212282 [0,2,0,0,0,0|1,0,0]=3 2559 B8R0.8 CCC=CC(=O)N(C)C 1626a_100102631434_100000212282 [0,2,0,0,0,0|1,0,0]=3 2560 B8R0.8 CCC=CC(=O)N(C)C 240690a_100102631434_100000212282 [0,2,0,0,0,0|1,0,0]=3 2561 B8R0.8 CCCCC(=O)C(C)C 1458a_100000210183_100000210206 [0,2,0,0,0,0|0,0,2]=4 2562 B8R0.8 CCCCC(=O)C(C)C 1458a_100000210198_100000210211 [0,2,0,0,0,0|0,0,2]=4 2563 B8R0.8 CCCCC(=O)C(C)F 1458a_100000062450_100000210211 [0,2,0,0,0,0|0,0,2]=4 2564 B8R0.8 CCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210211 [0,2,0,0,0,0|0,0,2]=4 2565 B8R0.8 CCCCC(=O)[C@H](C)O 1458a_217856618621_100000210211 [0,2,0,0,0,0|0,0,2]=4 2566 B8R0.8 CCCNC(=O)C(C)C 11a_100020643023_100000210198 [0,2,0,0,0,0|0,0,2]=4 2567 B8R0.8 CCCNC(=O)C(C)C 1626a_100020643023_100000210198 [0,2,0,0,0,0|0,0,2]=4 2568 B8R0.8 CCCNC(=O)C(C)C 240690a_100020643023_100000210198 [0,2,0,0,0,0|0,0,2]=4 2569 B8R0.8 CCCNC(=O)C(C)C 527a_100020643023_100000210198 [0,2,0,0,0,0|0,0,2]=4 2570 B8R0.8 CCCNC(=O)C(C)F 11a_100020643023_100000062450 [0,2,0,0,0,0|0,0,2]=4 2571 B8R0.8 CCCNC(=O)C(C)F 1626a_100020643023_100000062450 [0,2,0,0,0,0|0,0,2]=4 2572 B8R0.8 CCCNC(=O)C(C)F 240690a_100020643023_100000062450 [0,2,0,0,0,0|0,0,2]=4 2573 B8R0.8 CCCNC(=O)C(C)F 527a_100020643023_100000062450 [0,2,0,0,0,0|0,0,2]=4 2574 B8R0.8 CCCNC(=O)[C@@H](C)O 240690a_100020643023_100000717761 [0,2,0,0,0,0|0,0,2]=4 2575 B8R0.8 CCCNC(=O)[C@H](C)O 1626a_100020643023_217856618621 [0,2,0,0,0,0|0,0,2]=4 2576 B8R0.8 CCCNC(=O)[C@H](C)O 240690a_100020643023_217856618621 [0,2,0,0,0,0|0,0,2]=4 2577 B8R0.8 CCNCC(=O)C(C)C 2230a_100015525214_100000753385 [0,2,0,0,0,0|0,0,2]=4 2578 B8R0.8 CCNNC(=O)C(C)C 22a_100000756455_100000210198 [0,2,0,0,0,0|1,0,1]=4 2579 B8R0.8 CCNNC(=O)C(C)F 22a_100000756455_100000062450 [0,2,0,0,0,0|1,0,1]=4 2580 B8R0.8 CCNNC(=O)[C@@H](C)O 22a_100000756455_100000717761 [0,2,0,0,0,0|1,0,1]=4 2581 B8R0.8 CCNNC(=O)[C@H](C)O 22a_100000756455_217856618621 [0,2,0,0,0,0|1,0,1]=4 2582 B8R0.8 CCOCC(=O)C(C)C 1458a_100000211967_100000210206 [0,2,0,0,0,0|0,0,2]=4 2583 B8R0.8 CCOCC(=O)C(C)C 34a_100121572206_100000753385 [0,2,0,0,0,0|0,0,2]=4 2584 B8R0.8 CCSCC(=O)C(C)C 1458a_100000230394_100000210206 [0,2,0,0,0,0|0,0,2]=4 2585 B8R0.8 CCSCC(=O)C(C)C 62a_100000210202_100000753385 [0,2,0,0,0,0|0,0,2]=4 2586 B8R0.8 CCSCC(=O)C(C)C 62a_100000753385_100000210202 [0,2,0,0,0,0|0,0,2]=4 2587 B8R0.8 COC=CC(=O)C(C)C 1458a_100016268678_100000210206 [0,2,0,0,0,0|0,0,0]=2 2588 B8R0.8 COC=CC(=O)N(C)C 1626a_100102631434_100016268678 [0,2,0,0,0,0|1,0,0]=3 2589 B8R0.8 COC=CC(=O)N(C)C 240690a_100102631434_100016268678 [0,2,0,0,0,0|1,0,0]=3 2590 B8R0.8 COCCC(=O)C(C)C 1458a_100000210198_100000233755 [0,2,0,0,0,0|0,0,2]=4 2591 B8R0.8 COCCC(=O)C(C)C 1458a_100000749529_100000210206 [0,2,0,0,0,0|0,0,2]=4 2592 B8R0.8 COCCC(=O)C(C)F 1458a_100000062450_100000233755 [0,2,0,0,0,0|0,0,2]=4 2593 B8R0.8 COCCC(=O)[C@@H](C)O 1458a_100000717761_100000233755 [0,2,0,0,0,0|0,0,2]=4 2594 B8R0.8 COCCC(=O)[C@H](C)O 1458a_217856618621_100000233755 [0,2,0,0,0,0|0,0,2]=4 2595 B8R0.8 CSCCC(=O)C(C)C 1458a_100000174002_100000210206 [0,2,0,0,0,0|0,0,2]=4 2596 B8R0.8 CSCCC(=O)C(C)C 1458a_100000210198_100000751147 [0,2,0,0,0,0|0,0,2]=4 2597 B8R0.8 CSCCC(=O)C(C)F 1458a_100000062450_100000751147 [0,2,0,0,0,0|0,0,2]=4 2598 B8R0.8 CSCCC(=O)[C@@H](C)O 1458a_100000717761_100000751147 [0,2,0,0,0,0|0,0,2]=4 2599 B8R0.8 CSCCC(=O)[C@H](C)O 1458a_217856618621_100000751147 [0,2,0,0,0,0|0,0,2]=4 2600 B8R0.8 CSCOC(=O)C(C)C 62a_100000139345_200000210301 [0,2,0,0,0,0|1,0,1]=4 2601 B8R0.8 CSCOC(=O)C(C)C 62a_200000210301_100000139345 [0,2,0,0,0,0|1,0,1]=4 2602 B8R0.8 C[C@@H](O)C(=O)CCCF 1458a_100000717761_100011934791 [0,2,0,0,0,0|0,0,2]=4 2603 B8R0.8 C[C@@H](O)C(=O)CCCO 1458a_100000717761_100011215043 [0,2,0,0,0,0|0,0,2]=4 2604 B8R0.8 C[C@@H](O)C(=O)NCCF 240690a_100000724931_100000717761 [0,2,0,0,0,0|1,0,1]=4 2605 B8R0.8 C[C@@H](O)C(=O)NCCO 240690a_100000210304_100000717761 [0,2,0,0,0,0|1,0,1]=4 2606 B8R0.8 C[C@H](O)C(=O)CCCF 1458a_217856618621_100011934791 [0,2,0,0,0,0|0,0,2]=4 2607 B8R0.8 C[C@H](O)C(=O)CCCO 1458a_217856618621_100011215043 [0,2,0,0,0,0|0,0,2]=4 2608 B8R0.8 C[C@H](O)C(=O)NCCF 1626a_100000724931_217856618621 [0,2,0,0,0,0|1,0,1]=4 2609 B8R0.8 C[C@H](O)C(=O)NCCF 240690a_100000724931_217856618621 [0,2,0,0,0,0|1,0,1]=4 2610 B8R0.8 C[C@H](O)C(=O)NCCO 240690a_100000210304_217856618621 [0,2,0,0,0,0|1,0,1]=4 2611 B8R0.9 C#CC(=O)CC=C(C)C 1458a_100000211873_100000761012 [0,2,0,0,0,0|0,0,2]=4 2612 B8R0.9 C=C(C)CCC(=O)CC 1458a_100000210414_100000730704 [0,2,0,0,0,0|0,0,1]=3 2613 B8R0.9 C=C(C)CCC(=O)CC 1458a_200000688413_100000210202 [0,2,0,0,0,0|0,0,1]=3 2614 B8R0.9 C=C(C)CCC(=O)CF 1458a_200000688413_100015361967 [0,2,0,0,0,0|1,0,1]=4 2615 B8R0.9 C=C(C)CCC(=O)CO 1458a_100000210174_100000730704 [0,2,0,0,0,0|1,0,1]=4 2616 B8R0.9 C=C(C)CCC(=O)NC 11a_106832991635_200000688413 [0,2,0,0,0,0|1,0,1]=4 2617 B8R0.9 C=C(C)CCC(=O)NC 1626a_100102657272_200000688413 [0,2,0,0,0,0|1,0,1]=4 2618 B8R0.9 C=C(C)CCC(=O)NC 240690a_100102657272_200000688413 [0,2,0,0,0,0|1,0,1]=4 2619 B8R0.9 C=C(C)CCC(=O)NC 527a_100102657272_200000688413 [0,2,0,0,0,0|1,0,1]=4 2620 B8R0.9 C=C(C)CNC(=O)CC 11a_100000765925_100000210414 [0,2,0,0,0,0|0,0,1]=3 2621 B8R0.9 C=C(C)CNC(=O)CC 1626a_100000765925_100000210414 [0,2,0,0,0,0|0,0,1]=3 2622 B8R0.9 C=C(C)CNC(=O)CC 240690a_100000765925_100000210414 [0,2,0,0,0,0|0,0,1]=3 2623 B8R0.9 C=C(C)CNC(=O)CC 527a_100000765925_100000210414 [0,2,0,0,0,0|0,0,1]=3 2624 B8R0.9 C=C(C)CNC(=O)CO 240690a_100000765925_100000210174 [0,2,0,0,0,0|1,0,1]=4 2625 B8R0.9 C=C(C)CNC(=O)CO 527a_100000765925_100000210174 [0,2,0,0,0,0|1,0,1]=4 2626 B8R0.9 C=C(C)CNC(=O)NC 2708a_100000765925_106832991635 [0,2,0,0,0,0|1,0,1]=4 2627 B8R0.9 C=C(C)CNC(=O)NC 2708a_100102657272_100000765925 [0,2,0,0,0,0|1,0,1]=4 2628 B8R0.9 C=C(C)CNC(=O)NC 273464a_100000765925_100102657272 [0,2,0,0,0,0|1,0,1]=4 2629 B8R0.9 C=C(C)CNC(=O)NC 273464a_100102657272_100000765925 [0,2,0,0,0,0|1,0,1]=4 2630 B8R0.9 C=C(C)CNC(=O)NC 512a_100000765925_100102657272 [0,2,0,0,0,0|1,0,1]=4 2631 B8R0.9 C=C(C)CNC(=O)NC 512a_106832991638_100000765925 [0,2,0,0,0,0|1,0,1]=4 2632 B8R0.9 C=CC(=O)CC=C(C)C 1458a_100000185746_100000761012 [0,2,0,0,0,0|0,0,2]=4 2633 B8R0.9 CC(=CCC(=O)CF)C 1458a_100011220947_100015361967 [0,2,0,0,0,0|1,0,0]=3 2634 B8R0.9 CC(=CCC(=O)CO)C 1458a_100000210174_100000761012 [0,2,0,0,0,0|1,0,0]=3 2635 B8R0.9 CC(=O)NCC(=O)CF 1458a_100000194580_100015361967 [0,2,0,0,0,0|1,0,1]=4 2636 B8R0.9 CC(=O)NNC(=O)CO 22a_100000189765_100000210174 [0,2,0,0,0,0|2,0,0]=4 2637 B8R0.9 CC(=O)OCC(=O)CF 1458a_100000183556_100015361967 [0,2,0,0,0,0|1,0,1]=4 2638 B8R0.9 CC(=O)SCC(=O)CF 1458a_100000049016_100015361967 [0,2,0,0,0,0|1,0,1]=4 2639 B8R0.9 CC(C)C=CC(=O)CF 1458a_100016268746_100015361967 [0,2,0,0,0,0|1,0,0]=3 2640 B8R0.9 CC=C(C)C=CC(=O)C 1458a_100000692105_200000210301 [0,2,0,0,0,0|1,0,1]=4 2641 B8R0.9 CC=C(C)C=CC(=O)[13CH3] 1458a_100000692105_200025704644 [0,2,0,0,0,0|1,0,1]=4 2642 B8R0.9 CCC(=O)C=CC(C)C 1458a_100016268746_100000210202 [0,2,0,0,0,0|0,0,0]=2 2643 B8R0.9 CCC(=O)CC=C(C)C 1458a_100000210414_100000761012 [0,2,0,0,0,0|0,0,0]=2 2644 B8R0.9 CCC(=O)CC=C(C)C 1458a_100011220947_100000210202 [0,2,0,0,0,0|0,0,0]=2 2645 B8R0.9 CCC(=O)CCC(=O)N 1458a_100011215257_100000210202 [0,2,0,0,0,0|1,0,1]=4 2646 B8R0.9 CCC(=O)CCC(C)C 1458a_100000181311_100000210202 [0,2,0,0,0,0|0,0,2]=4 2647 B8R0.9 CCC(=O)CCC(C)C 1458a_100000210414_100000210312 [0,2,0,0,0,0|0,0,2]=4 2648 B8R0.9 CCC(=O)CCC(C)O 1458a_100000210414_100012276601 [0,2,0,0,0,0|0,0,2]=4 2649 B8R0.9 CCC(=O)CC[S+](C)C 1458a_100009452791_100000210202 [0,2,0,0,0,0|0,0,2]=4 2650 B8R0.9 CCC(=O)CNC(=O)C 1458a_100000194580_100000210202 [0,2,0,0,0,0|0,0,1]=3 2651 B8R0.9 CCC(=O)CNC(=O)N 1458a_100000184981_100000210202 [0,2,0,0,0,0|1,0,1]=4 2652 B8R0.9 CCC(=O)COC(=O)C 1458a_100000183556_100000210202 [0,2,0,0,0,0|0,0,1]=3 2653 B8R0.9 CCC(=O)COC(C)C 1458a_100000745533_100000210202 [0,2,0,0,0,0|0,0,2]=4 2654 B8R0.9 CCC(=O)COC(C)C 34a_100000725409_100000210206 [0,2,0,0,0,0|0,0,2]=4 2655 B8R0.9 CCC(=O)COC(F)F 1458a_200000719455_100000210202 [0,2,0,0,0,0|1,0,1]=4 2656 B8R0.9 CCC(=O)CSC(=O)C 1458a_100000049016_100000210202 [0,2,0,0,0,0|0,0,1]=3 2657 B8R0.9 CCC(=O)CSC(C)C 1458a_100000241585_100000210202 [0,2,0,0,0,0|0,0,2]=4 2658 B8R0.9 CCC(=O)CSC(C)C 62a_100000210206_100000747405 [0,2,0,0,0,0|0,0,2]=4 2659 B8R0.9 CCC(=O)CSC(C)C 62a_100000747405_100000210206 [0,2,0,0,0,0|0,0,2]=4 2660 B8R0.9 CCC(=O)CSC(F)F 1458a_114828291038_100000210202 [0,2,0,0,0,0|1,0,1]=4 2661 B8R0.9 CCC(=O)NCC(=O)C 1458a_100000194589_200000210301 [0,2,0,0,0,0|0,0,1]=3 2662 B8R0.9 CCC(=O)NCC(=O)N 11a_100000711301_100000210414 [0,2,0,0,0,0|1,0,1]=4 2663 B8R0.9 CCC(=O)NCC(=O)N 240690a_100000711301_100000210414 [0,2,0,0,0,0|1,0,1]=4 2664 B8R0.9 CCC(=O)NCC(=O)N 527a_100000711301_100000210414 [0,2,0,0,0,0|1,0,1]=4 2665 B8R0.9 CCC(=O)NCC(=O)[13CH3] 1458a_100000194589_200025704644 [0,2,0,0,0,0|0,0,1]=3 2666 B8R0.9 CCC(=O)NCC(C)C 11a_100000210953_100000210414 [0,2,0,0,0,0|0,0,2]=4 2667 B8R0.9 CCC(=O)NCC(C)C 1626a_100000210953_100000210414 [0,2,0,0,0,0|0,0,2]=4 2668 B8R0.9 CCC(=O)NCC(C)C 240690a_100000210953_100000210414 [0,2,0,0,0,0|0,0,2]=4 2669 B8R0.9 CCC(=O)NCC(C)C 527a_100000210953_100000210414 [0,2,0,0,0,0|0,0,2]=4 2670 B8R0.9 CCC(=O)NCC(C)O 11a_100000210904_100000210414 [0,2,0,0,0,0|0,0,2]=4 2671 B8R0.9 CCC(=O)NCC(C)O 240690a_100000210904_100000210414 [0,2,0,0,0,0|0,0,2]=4 2672 B8R0.9 CCC(=O)NCC(C)O 527a_100000210904_100000210414 [0,2,0,0,0,0|0,0,2]=4 2673 B8R0.9 CCC(=O)NCC(F)F 11a_100000765723_100000210414 [0,2,0,0,0,0|1,0,1]=4 2674 B8R0.9 CCC(=O)NCC(F)F 1626a_100000765723_100000210414 [0,2,0,0,0,0|1,0,1]=4 2675 B8R0.9 CCC(=O)NCC(F)F 240690a_100000765723_100000210414 [0,2,0,0,0,0|1,0,1]=4 2676 B8R0.9 CCC(=O)NCC(F)F 527a_100000765723_100000210414 [0,2,0,0,0,0|1,0,1]=4 2677 B8R0.9 CCC(=O)NNC(=O)C 22a_100000183195_100000070787 [0,2,0,0,0,0|1,0,0]=3 2678 B8R0.9 CCC(=O)NNC(=O)C 22a_100000189765_100000210414 [0,2,0,0,0,0|1,0,0]=3 2679 B8R0.9 CCC(=O)NNC(C)C 22a_100000741168_100000210414 [0,2,0,0,0,0|1,0,1]=4 2680 B8R0.9 CCN(C)CC=C(C)C 2230a_100000225621_100000761012 [0,2,0,0,0,0|2,0,0]=4 2681 B8R0.9 CCN(C)CC=C(C)C 269982a_100000225621_100000761012 [0,2,0,0,0,0|2,0,0]=4 2682 B8R0.9 CCS(=O)CCC(=O)C 1458a_100011387550_200000210301 [0,2,0,0,0,0|1,0,1]=4 2683 B8R0.9 CCS(=O)CCC(=O)[13CH3] 1458a_100011387550_200025704644 [0,2,0,0,0,0|1,0,1]=4 2684 B8R0.9 CNC(=O)C=CC(=O)C 1458a_100016259477_200000210301 [0,2,0,0,0,0|1,0,0]=3 2685 B8R0.9 CNC(=O)C=CC(=O)[13CH3] 1458a_100016259477_200025704644 [0,2,0,0,0,0|1,0,0]=3 2686 B8R0.9 CNC(=O)C=CC(C)C 11a_106832991635_100016268746 [0,2,0,0,0,0|1,0,0]=3 2687 B8R0.9 CNC(=O)C=CC(C)C 1626a_100102657272_100016268746 [0,2,0,0,0,0|1,0,0]=3 2688 B8R0.9 CNC(=O)C=CC(C)C 240690a_100102657272_100016268746 [0,2,0,0,0,0|1,0,0]=3 2689 B8R0.9 CNC(=O)CC=C(C)C 11a_106832991635_100011220947 [0,2,0,0,0,0|1,0,0]=3 2690 B8R0.9 CNC(=O)CC=C(C)C 1626a_100102657272_100011220947 [0,2,0,0,0,0|1,0,0]=3 2691 B8R0.9 CNC(=O)CC=C(C)C 240690a_100102657272_100011220947 [0,2,0,0,0,0|1,0,0]=3 2692 B8R0.9 CNC(=O)CC=C(C)C 527a_100102657272_100011220947 [0,2,0,0,0,0|1,0,0]=3 2693 B8R0.9 CNC(=O)CCC(=O)C 1458a_100011309844_200000210301 [0,2,0,0,0,0|1,0,1]=4 2694 B8R0.9 CNC(=O)CCC(=O)[13CH3] 1458a_100011309844_200025704644 [0,2,0,0,0,0|1,0,1]=4 2695 B8R0.9 CNC(=O)CNC(=O)C 11a_100000693194_100015343762 [0,2,0,0,0,0|1,0,1]=4 2696 B8R0.9 CNC(=O)CNC(=O)C 11a_106832991635_100000194580 [0,2,0,0,0,0|1,0,1]=4 2697 B8R0.9 CNC(=O)CNC(=O)C 1626a_100102657272_100000194580 [0,2,0,0,0,0|1,0,1]=4 2698 B8R0.9 CNC(=O)CNC(=O)C 240690a_100000693194_100015343762 [0,2,0,0,0,0|1,0,1]=4 2699 B8R0.9 CNC(=O)CNC(=O)C 240690a_100102657272_100000194580 [0,2,0,0,0,0|1,0,1]=4 2700 B8R0.9 CNC(=O)CNC(=O)C 527a_100000693194_100103153847 [0,2,0,0,0,0|1,0,1]=4 2701 B8R0.9 CNC(=O)CNC(=O)C 527a_100102657272_100000194580 [0,2,0,0,0,0|1,0,1]=4 2702 B8R0.9 CNC(=O)COC(=O)C 1626a_100102657272_100000183556 [0,2,0,0,0,0|1,0,1]=4 2703 B8R0.9 CNC(=O)COC(=O)C 240690a_100102657272_100000183556 [0,2,0,0,0,0|1,0,1]=4 2704 B8R0.9 CNC(=O)COC(=O)C 527a_100102657272_100000183556 [0,2,0,0,0,0|1,0,1]=4 2705 B8R0.9 CNC(=O)CSC(=O)C 11a_106832991635_100000049016 [0,2,0,0,0,0|1,0,1]=4 2706 B8R0.9 CNC(=O)CSC(=O)C 1626a_100102657272_100000049016 [0,2,0,0,0,0|1,0,1]=4 2707 B8R0.9 CNC(=O)CSC(=O)C 240690a_100102657272_100000049016 [0,2,0,0,0,0|1,0,1]=4 2708 B8R0.9 CNC(=O)NNC(=O)C 273464a_100102657272_100000189765 [0,2,0,0,0,0|2,0,0]=4 2709 B8R0.9 CNC(=O)NNC(=O)C 512a_100000189765_100102657272 [0,2,0,0,0,0|2,0,0]=4 2710 B8R0.9 COC(=O)CCC(=O)C 1458a_100000187943_200000210301 [0,2,0,0,0,0|1,0,1]=4 2711 B8R0.9 COC(=O)CCC(=O)[13CH3] 1458a_100000187943_200025704644 [0,2,0,0,0,0|1,0,1]=4 2712 B8R0.9 COC(=O)CNC(=O)C 188690a_100000185156_100015343762 [0,2,0,0,0,0|1,0,1]=4 2713 B8R0.9 COC(=O)NCC(=O)C 1458a_100000215747_200000210301 [0,2,0,0,0,0|1,0,1]=4 2714 B8R0.9 COC(=O)NCC(=O)[13CH3] 1458a_100000215747_200025704644 [0,2,0,0,0,0|1,0,1]=4 2715 B8R0.11 C/C=C/CN(CC)CC 269956a_100000042499_100102629194 [0,2,0,0,0,0|2,0,0]=4 2716 B8R0.11 C/C=C/CN(CC)CC 269982a_100000724800_100102629194 [0,2,0,0,0,0|2,0,0]=4 2717 B8R0.11 CC=CCN(CC)CC 2230a_100000724800_100000070051 [0,2,0,0,0,0|2,0,0]=4 2718 B8R0.14 C=CCC(=O)C(C)(C)C 1458a_106744555173_100000210623 [0,2,0,0,0,0|0,0,2]=4 2719 B8R0.14 C=CCC(=O)C(C)(C)F 1458a_100000765255_100000210623 [0,2,0,0,0,0|0,0,2]=4 2720 B8R0.14 C=CCC(=O)C(C)(C)O 1458a_100000242741_100000210623 [0,2,0,0,0,0|0,0,2]=4 2721 B8R0.14 CC(C)(C)C(=O)CO[13CH3] 34a_200011592769_200025704644 [0,2,0,0,0,0|1,0,1]=4 2722 B8R0.14 CC(C)(C)C(=O)CO[13CH3] 7a_200011592769_200025704644 [0,2,0,0,0,0|1,0,1]=4 2723 B8R0.14 CC(C)(C)C(=O)CS[13CH3] 62a_100000210923_200025704644 [0,2,0,0,0,0|1,0,1]=4 2724 B8R0.14 CC(C)(C)C(=O)CS[13CH3] 62a_200025704644_100000210923 [0,2,0,0,0,0|1,0,1]=4 2725 B8R0.14 CC=CC(=O)C(F)(F)F 1458a_100000210699_200000243211 [0,2,0,0,0,0|1,0,0]=3 2726 B8R0.14 CCCC(=O)C(C)(C)C 1458a_106744555173_100000210303 [0,2,0,0,0,0|0,0,2]=4 2727 B8R0.14 CCCC(=O)C(C)(C)F 1458a_100000765255_100000210303 [0,2,0,0,0,0|0,0,2]=4 2728 B8R0.14 CCCC(=O)C(C)(C)O 1458a_100000242741_100000210303 [0,2,0,0,0,0|0,0,2]=4 2729 B8R0.14 CCNC(=O)C(C)(C)C 11a_100015525214_106744555173 [0,2,0,0,0,0|1,0,1]=4 2730 B8R0.14 CCNC(=O)C(C)(C)C 240690a_100015525214_106744555173 [0,2,0,0,0,0|1,0,1]=4 2731 B8R0.14 CCNC(=O)C(C)(C)C 527a_100015525214_106744555173 [0,2,0,0,0,0|1,0,1]=4 2732 B8R0.14 CCNC(=O)C(C)(C)F 11a_100015525214_100000765255 [0,2,0,0,0,0|1,0,1]=4 2733 B8R0.14 CCNC(=O)C(C)(C)F 240690a_100015525214_100000765255 [0,2,0,0,0,0|1,0,1]=4 2734 B8R0.14 CCNC(=O)C(C)(C)F 527a_100015525214_100000765255 [0,2,0,0,0,0|1,0,1]=4 2735 B8R0.14 CCNC(=O)C(C)(C)O 240690a_100015525214_100000242741 [0,2,0,0,0,0|1,0,1]=4 2736 B8R0.14 CCNC(=O)C(C)(F)F 11a_100015525214_100000042251 [0,2,0,0,0,0|1,0,1]=4 2737 B8R0.14 CCNC(=O)C(C)(F)F 240690a_100015525214_100000042251 [0,2,0,0,0,0|1,0,1]=4 2738 B8R0.14 CCNC(=O)C(C)(F)F 527a_100015525214_100000042251 [0,2,0,0,0,0|1,0,1]=4 2739 B8R0.14 CNCC(=O)C(C)(C)C 34a_100102657272_100000229897 [0,2,0,0,0,0|1,0,1]=4 2740 B8R0.14 CNCC(=O)C(C)(C)C 7a_106832991635_100000210923 [0,2,0,0,0,0|1,0,1]=4 2741 B8R0.14 CNNC(=O)C(C)(C)C 22a_100016993582_106744555173 [0,2,0,0,0,0|2,0,0]=4 2742 B8R0.14 CNNC(=O)C(C)(C)F 22a_100016993582_100000765255 [0,2,0,0,0,0|2,0,0]=4 2743 B8R0.14 CNNC(=O)C(C)(C)O 22a_100016993582_100000242741 [0,2,0,0,0,0|2,0,0]=4 2744 B8R0.14 CNNC(=O)C(C)(F)F 22a_100016993582_100000042251 [0,2,0,0,0,0|2,0,0]=4 2745 B8R0.14 COCC(=O)C(C)(C)C 34a_100138415774_100000229897 [0,2,0,0,0,0|1,0,1]=4 2746 B8R0.14 COCC(=O)C(C)(C)C 34a_200011592769_200000210301 [0,2,0,0,0,0|1,0,1]=4 2747 B8R0.14 COCC(=O)C(C)(C)C 7a_200011592769_200000210301 [0,2,0,0,0,0|1,0,1]=4 2748 B8R0.14 CSCC(=O)C(C)(C)C 62a_100000210923_200000210301 [0,2,0,0,0,0|1,0,1]=4 2749 B8R0.14 CSCC(=O)C(C)(C)C 62a_200000210301_100000210923 [0,2,0,0,0,0|1,0,1]=4 2750 B8R0.14 O=C(C=CBr)C(F)(F)F 1458a_100016273825_200000243211 [0,2,0,0,0,0|2,0,0]=4 2751 B8R0.14 O=C(C=CCl)C(F)(F)F 1458a_200016279998_200000243211 [0,2,0,0,0,0|2,0,0]=4 2752 B8R0.14 O=C(C=CI)C(F)(F)F 1458a_100016256311_200000243211 [0,2,0,0,0,0|2,0,0]=4 2753 B8R0.22 C/C=C/C(CCC)OC 34a_200016264281_200000210301 [0,2,0,0,0,0|0,0,2]=4 2754 B8R0.22 C/C=C/C(CCC)OC 7a_200016264281_200000210301 [0,2,0,0,0,0|0,0,2]=4 2755 B8R0.22 C/C=C/C(CCC)O[13CH3] 34a_200016264281_200025704644 [0,2,0,0,0,0|0,0,2]=4 2756 B8R0.22 C/C=C/C(CCC)O[13CH3] 7a_200016264281_200025704644 [0,2,0,0,0,0|0,0,2]=4 2757 B8R0.13 C=CC(C)(C)C(=O)CC 1458a_100012027013_100000210202 [0,2,0,0,0,0|0,0,2]=4 2758 B8R0.13 CCC(=O)C(C)(C)CC 1458a_100000749717_100000210202 [0,2,0,0,0,0|0,0,2]=4 2759 B8R0.13 CCC(=O)C(C)(C)OC 1458a_100000753492_100000210202 [0,2,0,0,0,0|1,0,1]=4 2760 B8R0.13 CCC(=O)C(C)(O)CC 1458a_100011219770_100000210202 [0,2,0,0,0,0|0,0,2]=4 2761 B8R0.13 CCC(=O)C(F)(F)CC 1458a_100000061896_100000210202 [0,2,0,0,0,0|0,0,2]=4 2762 B8R0.20 CCC(=O)C(CC)CC 1458a_100000210414_100000210505 [0,2,0,0,0,0|0,0,2]=4 2763 B8R0.20 CCC(=O)C(CC)CC 1458a_100000211163_100000210202 [0,2,0,0,0,0|0,0,2]=4 2764 B8R0.20 CCC(=O)C(CC)OC 1458a_100000747056_100000210202 [0,2,0,0,0,0|0,0,2]=4 2765 B8R0.20 CCC(=O)C(CC)OC 34a_200011218131_200000210301 [0,2,0,0,0,0|0,0,2]=4 2766 B8R0.20 CCC(=O)C(CC)OC 7a_200011218131_200000210301 [0,2,0,0,0,0|0,0,2]=4 2767 B8R0.20 CCC(=O)C(CC)O[13CH3] 34a_200011218131_200025704644 [0,2,0,0,0,0|0,0,2]=4 2768 B8R0.20 CCC(=O)C(CC)O[13CH3] 7a_200011218131_200025704644 [0,2,0,0,0,0|0,0,2]=4 2769 B8R0.20 CCC(=O)C(OC)OC 1458a_100000046285_100000210202 [0,2,0,0,0,0|1,0,1]=4 2770 B8R0.20 CCC(=O)N(CC)CC 11a_100000724800_100000210414 [0,2,0,0,0,0|1,0,1]=4 2771 B8R0.20 CCC(=O)N(CC)CC 1626a_100000724800_100000210414 [0,2,0,0,0,0|1,0,1]=4 2772 B8R0.20 CCC(=O)N(CC)CC 240690a_100000724800_100000210414 [0,2,0,0,0,0|1,0,1]=4 2773 B8R0.20 CCC(=O)N(CC)CC 527a_100000724800_100000210414 [0,2,0,0,0,0|1,0,1]=4 2774 B6R1.11 CC(=O)C1CC1 1458a_100000210395_200000210301 [1,0,0,1,0,0|0,0,2]=4 2775 B6R1.11 CC(=O)C1CO1 1458a_100000701028_200000210301 [1,0,0,1,0,0|1,0,1]=4 2776 B6R1.11 [13CH3]C(=O)C1CC1 1458a_100000210395_200025704644 [1,0,0,1,0,0|0,0,2]=4 2777 B6R1.11 [13CH3]C(=O)C1CO1 1458a_100000701028_200025704644 [1,0,0,1,0,0|1,0,1]=4 2778 B8R1.1 CCc1cc(cs1)O 271570a_203496583355_100009846239 [0,1,0,1,0,0|0,1,1]=4 2779 B8R1.1 CCc1ccc(s1)O 271570a_203496583355_100009844052 [0,1,0,1,0,0|0,1,1]=4 2780 B8R1.1 CCc1nc(no1)C 270196a_100000212224_100000210414 [0,1,0,1,0,0|1,0,1]=4 2781 B8R1.1 CCc1noc(n1)C 270196a_200000212204_100000070787 [0,1,0,1,0,0|1,0,1]=4 2782 B8R1.1 CCn1cc(nn1)C 274090a_100000204670_200000242740 [0,1,0,1,0,0|2,0,0]=4 2783 B8R1.1 COC1CCC(=O)C1 34a_100012614533_200000210301 [0,1,0,1,0,0|0,0,2]=4 2784 B8R1.1 COc1ccn(n1)C 34a_100012642153_200000210301 [0,1,0,1,0,0|2,0,0]=4 2785 B8R1.1 CSc1c[nH]c(n1)C 62a_100009814057_200000210301 [0,1,0,1,0,0|2,0,0]=4 2786 B8R1.1 CSc1c[nH]c(n1)C 62a_200000210301_100009814057 [0,1,0,1,0,0|2,0,0]=4 2787 B8R1.1 CSc1cc([nH]n1)C 62a_100009819999_200000210301 [0,1,0,1,0,0|2,0,0]=4 2788 B8R1.1 CSc1cc([nH]n1)C 62a_200000210301_100009819999 [0,1,0,1,0,0|2,0,0]=4 2789 B8R1.1 CSc1cc(cs1)C 62a_100009876951_200000210301 [0,1,0,1,0,0|1,1,0]=4 2790 B8R1.1 CSc1cc(cs1)C 62a_200000210301_100009876951 [0,1,0,1,0,0|1,1,0]=4 2791 B8R1.1 CSc1cc(ns1)C 62a_100009815735_200000210301 [0,1,0,1,0,0|1,1,0]=4 2792 B8R1.1 CSc1cc(ns1)C 62a_200000210301_100009815735 [0,1,0,1,0,0|1,1,0]=4 2793 B8R1.1 CSc1cc(on1)C 62a_100000716708_200000210301 [0,1,0,1,0,0|1,0,1]=4 2794 B8R1.1 CSc1cc(on1)C 62a_200000210301_100000716708 [0,1,0,1,0,0|1,0,1]=4 2795 B8R1.1 CSc1ccc(s1)C 62a_100000031368_200000210301 [0,1,0,1,0,0|1,1,0]=4 2796 B8R1.1 CSc1ccc(s1)C 62a_200000210301_100000031368 [0,1,0,1,0,0|1,1,0]=4 2797 B8R1.1 CSc1ccn(n1)C 62a_100000752436_200000210301 [0,1,0,1,0,0|2,0,0]=4 2798 B8R1.1 CSc1ccn(n1)C 62a_200000210301_100000752436 [0,1,0,1,0,0|2,0,0]=4 2799 B8R1.1 CSc1cnc(s1)C 62a_100000764884_200000210301 [0,1,0,1,0,0|1,1,0]=4 2800 B8R1.1 CSc1cnc(s1)C 62a_200000210301_100000764884 [0,1,0,1,0,0|1,1,0]=4 2801 B8R1.1 CSc1csc(c1)C 62a_100000759034_200000210301 [0,1,0,1,0,0|1,1,0]=4 2802 B8R1.1 CSc1csc(c1)C 62a_200000210301_100000759034 [0,1,0,1,0,0|1,1,0]=4 2803 B8R1.1 CSc1csc(n1)C 62a_100011934587_200000210301 [0,1,0,1,0,0|2,0,0]=4 2804 B8R1.1 CSc1csc(n1)C 62a_200000210301_100011934587 [0,1,0,1,0,0|2,0,0]=4 2805 B8R1.1 CSc1nc(c[nH]1)C 62a_100161115468_200000210301 [0,1,0,1,0,0|2,0,0]=4 2806 B8R1.1 CSc1nc(c[nH]1)C 62a_200000210301_100161115468 [0,1,0,1,0,0|2,0,0]=4 2807 B8R1.1 CSc1nc(cs1)C 62a_100011291629_200000210301 [0,1,0,1,0,0|2,0,0]=4 2808 B8R1.1 CSc1nc(cs1)C 62a_200000210301_100011291629 [0,1,0,1,0,0|2,0,0]=4 2809 B8R1.1 CSc1ncc(s1)C 62a_100000690809_200000210301 [0,1,0,1,0,0|1,1,0]=4 2810 B8R1.1 CSc1ncc(s1)C 62a_200000210301_100000690809 [0,1,0,1,0,0|1,1,0]=4 2811 B8R1.1 Cc1c[nH]c(n1)S[13CH3] 62a_100161115468_200025704644 [0,1,0,1,0,0|2,0,0]=4 2812 B8R1.1 Cc1c[nH]c(n1)S[13CH3] 62a_200025704644_100161115468 [0,1,0,1,0,0|2,0,0]=4 2813 B8R1.1 Cc1cc(cs1)S[13CH3] 62a_100000759034_200025704644 [0,1,0,1,0,0|1,1,0]=4 2814 B8R1.1 Cc1cc(cs1)S[13CH3] 62a_200025704644_100000759034 [0,1,0,1,0,0|1,1,0]=4 2815 B8R1.1 Cc1cc(n[nH]1)S[13CH3] 62a_100009819999_200025704644 [0,1,0,1,0,0|2,0,0]=4 2816 B8R1.1 Cc1cc(n[nH]1)S[13CH3] 62a_200025704644_100009819999 [0,1,0,1,0,0|2,0,0]=4 2817 B8R1.1 Cc1cc(no1)S[13CH3] 62a_100000716708_200025704644 [0,1,0,1,0,0|1,0,1]=4 2818 B8R1.1 Cc1cc(no1)S[13CH3] 62a_200025704644_100000716708 [0,1,0,1,0,0|1,0,1]=4 2819 B8R1.1 Cc1cc(sn1)S[13CH3] 62a_100009815735_200025704644 [0,1,0,1,0,0|1,1,0]=4 2820 B8R1.1 Cc1cc(sn1)S[13CH3] 62a_200025704644_100009815735 [0,1,0,1,0,0|1,1,0]=4 2821 B8R1.1 Cc1ccc(s1)S[13CH3] 62a_100000031368_200025704644 [0,1,0,1,0,0|1,1,0]=4 2822 B8R1.1 Cc1ccc(s1)S[13CH3] 62a_200025704644_100000031368 [0,1,0,1,0,0|1,1,0]=4 2823 B8R1.1 Cc1cnc(s1)S[13CH3] 62a_100000690809_200025704644 [0,1,0,1,0,0|1,1,0]=4 2824 B8R1.1 Cc1cnc(s1)S[13CH3] 62a_200025704644_100000690809 [0,1,0,1,0,0|1,1,0]=4 2825 B8R1.1 Cc1csc(c1)S[13CH3] 62a_100009876951_200025704644 [0,1,0,1,0,0|1,1,0]=4 2826 B8R1.1 Cc1csc(c1)S[13CH3] 62a_200025704644_100009876951 [0,1,0,1,0,0|1,1,0]=4 2827 B8R1.1 Cc1csc(n1)S[13CH3] 62a_100011291629_200025704644 [0,1,0,1,0,0|2,0,0]=4 2828 B8R1.1 Cc1csc(n1)S[13CH3] 62a_200025704644_100011291629 [0,1,0,1,0,0|2,0,0]=4 2829 B8R1.1 Cc1nc(c[nH]1)S[13CH3] 62a_100009814057_200025704644 [0,1,0,1,0,0|2,0,0]=4 2830 B8R1.1 Cc1nc(c[nH]1)S[13CH3] 62a_200025704644_100009814057 [0,1,0,1,0,0|2,0,0]=4 2831 B8R1.1 Cc1nc(cs1)S[13CH3] 62a_100011934587_200025704644 [0,1,0,1,0,0|2,0,0]=4 2832 B8R1.1 Cc1nc(cs1)S[13CH3] 62a_200025704644_100011934587 [0,1,0,1,0,0|2,0,0]=4 2833 B8R1.1 Cc1ncc(s1)S[13CH3] 62a_100000764884_200025704644 [0,1,0,1,0,0|1,1,0]=4 2834 B8R1.1 Cc1ncc(s1)S[13CH3] 62a_200025704644_100000764884 [0,1,0,1,0,0|1,1,0]=4 2835 B8R1.1 Cn1ccc(n1)O[13CH3] 34a_100012642153_200025704644 [0,1,0,1,0,0|2,0,0]=4 2836 B8R1.1 Cn1ccc(n1)S[13CH3] 62a_100000752436_200025704644 [0,1,0,1,0,0|2,0,0]=4 2837 B8R1.1 Cn1ccc(n1)S[13CH3] 62a_200025704644_100000752436 [0,1,0,1,0,0|2,0,0]=4 2838 B8R1.1 [13CH3]OC1CCC(=O)C1 34a_100012614533_200025704644 [0,1,0,1,0,0|0,0,2]=4 2839 B8R1.4 CC1=CCCN(C1)C 2230a_100000725631_200000210301 [0,1,0,1,0,0|1,0,1]=4 2840 B8R1.4 CC1=CCCN(C1)C 269982a_100000725631_200000210301 [0,1,0,1,0,0|1,0,1]=4 2841 B8R1.4 CC1=CCCN(C1)C 34a_100000725631_200000210301 [0,1,0,1,0,0|1,0,1]=4 2842 B8R1.4 CC1=CCCN(C1)[13CH3] 2230a_100000725631_200025704644 [0,1,0,1,0,0|1,0,1]=4 2843 B8R1.4 CC1=CCCN(C1)[13CH3] 269982a_100000725631_200025704644 [0,1,0,1,0,0|1,0,1]=4 2844 B8R1.4 CC1=CCCN(C1)[13CH3] 34a_100000725631_200025704644 [0,1,0,1,0,0|1,0,1]=4 2845 B8R1.4 CN1CCNC(=O)C1 2230a_100000184651_200000210301 [0,1,0,1,0,0|1,0,1]=4 2846 B8R1.4 CN1CCOC(=O)C1 2230a_100000131268_200000210301 [0,1,0,1,0,0|1,0,1]=4 2847 B8R1.4 [13CH3]N1CCNC(=O)C1 2230a_100000184651_200025704644 [0,1,0,1,0,0|1,0,1]=4 2848 B8R1.4 [13CH3]N1CCOC(=O)C1 2230a_100000131268_200025704644 [0,1,0,1,0,0|1,0,1]=4 2849 B8R1.18 Cc1cc(c(s1)C)O 271570a_203496583355_100000688054 [0,1,0,1,0,0|0,0,2]=4 2850 B8R1.18 Cc1cc(n(n1)C)O 271570a_203496583355_100009818511 [0,1,0,1,0,0|1,0,1]=4 2851 B8R1.18 Cc1cc(nn1C)O 271570a_203496583355_100012001299 [0,1,0,1,0,0|1,0,1]=4 2852 B8R1.18 Cc1cc(sc1C)O 271570a_203496583355_100009850898 [0,1,0,1,0,0|0,0,2]=4 2853 B8R1.31 CC(=O)C1CCC1=O 1458a_100000070787_100009892977 [0,1,0,1,0,0|0,0,1]=3 2854 B8R1.31 CN(C)C1CCC1=O 269982a_100102631434_100009892977 [0,1,0,1,0,0|1,0,1]=4 2855 B8R1.34 CC(=O)C=C1CCC1 1458a_100000686340_200000210301 [0,1,0,1,0,0|1,0,0]=3 2856 B8R1.34 [13CH3]C(=O)C=C1CCC1 1458a_100000686340_200025704644 [0,1,0,1,0,0|1,0,0]=3 2857 B8R1.40 CCC(=O)CC1CC1 1458a_100000210414_100000742324 [0,1,0,1,0,0|0,0,2]=4 2858 B8R1.40 CCC(=O)CC1CC1 1458a_100000738066_100000210202 [0,1,0,1,0,0|0,0,2]=4 2859 B8R1.40 CCC(=O)CC1CO1 1458a_100000210414_100011216344 [0,1,0,1,0,0|0,0,2]=4 2860 B8R1.40 CCC(=O)CC1CS1 1458a_100000210414_100000031435 [0,1,0,1,0,0|0,0,2]=4 2861 B8R1.40 CCC(=O)C[C@@H]1CO1 1458a_100000210414_100000745022 [0,1,0,1,0,0|0,0,2]=4 2862 B8R1.40 CCC(=O)NC1CC1 1626a_100000212008_100000210414 [0,1,0,1,0,0|0,0,2]=4 2863 B8R1.40 CCC(=O)NC1CC1 240690a_100000212008_100000210414 [0,1,0,1,0,0|0,0,2]=4 2864 B8R1.40 CCC(=O)NC1CC1 527a_100000212008_100000210414 [0,1,0,1,0,0|0,0,2]=4 2865 B8R1.83 CCC(=O)C1CC1C 1458a_100000211227_100000210202 [0,1,0,1,0,0|0,0,2]=4 2866 B8R1.83 CCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000210202 [0,1,0,1,0,0|0,0,2]=4 2867 B8R1.2 CCN1CC=CCC1 2230a_100000698166_100000210202 [0,1,0,1,0,0|2,0,0]=4 2868 B8R1.2 CCN1CC=CCC1 269982a_100000698166_100000204670 [0,1,0,1,0,0|2,0,0]=4 2869 B8R1.2 CCN1CC=CCC1 34a_100000698166_100000210202 [0,1,0,1,0,0|2,0,0]=4 2870 B8R1.2 CNC1C=CCCC1 2230a_106832991635_100000751183 [0,1,0,1,0,0|1,0,1]=4 2871 B8R1.2 CNC1C=CCCC1 7a_106832991635_100000751183 [0,1,0,1,0,0|1,0,1]=4 2872 B8R1.2 COC1C=CCCC1 34a_100011215024_200000210301 [0,1,0,1,0,0|0,0,2]=4 2873 B8R1.2 CSC1C=CCCC1 62a_100000751183_200000210301 [0,1,0,1,0,0|0,1,1]=4 2874 B8R1.2 CSC1C=CCCC1 62a_200000210301_100000751183 [0,1,0,1,0,0|0,1,1]=4 2875 B8R1.2 [13CH3]OC1C=CCCC1 34a_100011215024_200025704644 [0,1,0,1,0,0|0,0,2]=4 2876 B8R1.2 [13CH3]SC1C=CCCC1 62a_100000751183_200025704644 [0,1,0,1,0,0|0,1,1]=4 2877 B8R1.2 [13CH3]SC1C=CCCC1 62a_200025704644_100000751183 [0,1,0,1,0,0|0,1,1]=4 2878 B8R1.3 CC1=CCN(CC1)C 2230a_100000693516_200000210301 [0,1,0,1,0,0|1,0,1]=4 2879 B8R1.3 CC1=CCN(CC1)C 269982a_100000693516_200000210301 [0,1,0,1,0,0|1,0,1]=4 2880 B8R1.3 CC1=CCN(CC1)C 34a_100000693516_200000210301 [0,1,0,1,0,0|1,0,1]=4 2881 B8R1.3 CC1=CCN(CC1)[13CH3] 2230a_100000693516_200025704644 [0,1,0,1,0,0|1,0,1]=4 2882 B8R1.3 CC1=CCN(CC1)[13CH3] 269982a_100000693516_200025704644 [0,1,0,1,0,0|1,0,1]=4 2883 B8R1.3 CC1=CCN(CC1)[13CH3] 34a_100000693516_200025704644 [0,1,0,1,0,0|1,0,1]=4 2884 B8R1.10 C/C=C/CN1CCC1 269982a_100000754969_100102629194 [0,1,0,1,0,0|2,0,0]=4 2885 B8R1.13 CCOC1CCC1=O 34a_100121572206_100009892977 [0,1,0,1,0,0|0,0,2]=4 2886 B8R1.13 CCSC1CCC1=O 62a_100000210202_100009892977 [0,1,0,1,0,0|0,0,2]=4 2887 B8R1.13 CCSC1CCC1=O 62a_100009892977_100000210202 [0,1,0,1,0,0|0,0,2]=4 2888 B8R1.13 O=C1CCC1SCF 62a_100009892977_100015361967 [0,1,0,1,0,0|1,0,1]=4 2889 B8R1.13 O=C1CCC1SCF 62a_100015361967_100009892977 [0,1,0,1,0,0|1,0,1]=4 2890 B8R1.38 CCC(=O)C1CCC1 1458a_100000209988_100000210202 [0,1,0,1,0,0|0,0,2]=4 2891 B8R1.38 CCC(=O)C1CCC1 1458a_100000210414_100000749161 [0,1,0,1,0,0|0,0,2]=4 2892 B8R1.38 CCC(=O)C1CCO1 1458a_100000089072_100000210202 [0,1,0,1,0,0|0,0,2]=4 2893 B8R1.38 CCC(=O)C1COC1 1458a_100000210414_100000687716 [0,1,0,1,0,0|0,0,2]=4 2894 B8R1.38 CCC(=O)C1COC1 1458a_100000758290_100000210202 [0,1,0,1,0,0|0,0,2]=4 2895 B8R1.38 CCC(=O)N1CCC1 11a_100000754969_100000210414 [0,1,0,1,0,0|0,0,2]=4 2896 B8R1.38 CCC(=O)N1CCC1 240690a_100000754969_100000210414 [0,1,0,1,0,0|0,0,2]=4 2897 B8R1.38 CCC(=O)N1CCC1 527a_100000754969_100000210414 [0,1,0,1,0,0|0,0,2]=4 2898 B8R1.50 Cc1[nH][nH]c(=O)c1O 271570a_203496583355_100000686169 [0,1,0,1,0,0|2,0,0]=4 2899 B8R1.50 Cc1cnc(n1C)O 271570a_203496583355_100009816807 [0,1,0,1,0,0|1,0,1]=4 2900 B8R1.50 Cc1ncc(n1C)O 271570a_203496583355_100000762843 [0,1,0,1,0,0|1,0,1]=4 2901 B8R1.50 Cc1scc(c1C)O 271570a_203496583355_100009820295 [0,1,0,1,0,0|0,0,2]=4 2902 B8R1.37 C=CCC(=O)C1CC1 1458a_100000210395_100000210623 [0,1,0,1,0,0|0,0,2]=4 2903 B8R1.37 C=CCC(=O)C1CO1 1458a_100000701028_100000210623 [0,1,0,1,0,0|0,0,2]=4 2904 B8R1.37 CCCC(=O)C1CC1 1458a_100000210395_100000210303 [0,1,0,1,0,0|0,0,2]=4 2905 B8R1.37 CCCC(=O)C1CO1 1458a_100000701028_100000210303 [0,1,0,1,0,0|0,0,2]=4 2906 B8R1.37 CCNC(=O)C1CC1 11a_100015525214_100000210395 [0,1,0,1,0,0|0,0,2]=4 2907 B8R1.37 CCNC(=O)C1CC1 240690a_100015525214_100000210395 [0,1,0,1,0,0|0,0,2]=4 2908 B8R1.37 CCNC(=O)C1CC1 527a_100015525214_100000210395 [0,1,0,1,0,0|0,0,2]=4 2909 B8R1.37 CCNC(=O)C1CO1 11a_100015525214_100000701028 [0,1,0,1,0,0|1,0,1]=4 2910 B8R1.37 CCNC(=O)C1CO1 240690a_100015525214_100000701028 [0,1,0,1,0,0|1,0,1]=4 2911 B8R1.37 CCNC(=O)C1CO1 527a_100015525214_100000701028 [0,1,0,1,0,0|1,0,1]=4 2912 B8R1.37 CNCC(=O)C1CC1 2230a_106832991635_100000746382 [0,1,0,1,0,0|0,0,2]=4 2913 B8R1.37 CNCC(=O)C1CC1 34a_100102657272_100000746382 [0,1,0,1,0,0|0,0,2]=4 2914 B8R1.37 CNCC(=O)C1CC1 7a_106832991635_100000746382 [0,1,0,1,0,0|0,0,2]=4 2915 B8R1.37 CNNC(=O)C1CC1 22a_100016993582_100000210395 [0,1,0,1,0,0|2,0,0]=4 2916 B8R1.37 CNNC(=O)C1CO1 22a_100016993582_100000701028 [0,1,0,1,0,0|2,0,0]=4 2917 B8R1.37 COCC(=O)C1CC1 34a_100000686663_200000210301 [0,1,0,1,0,0|0,0,2]=4 2918 B8R1.37 COCC(=O)C1CC1 34a_100138415774_100000746382 [0,1,0,1,0,0|0,0,2]=4 2919 B8R1.37 CSCC(=O)C1CC1 62a_100000746382_200000210301 [0,1,0,1,0,0|0,0,2]=4 2920 B8R1.37 CSCC(=O)C1CC1 62a_200000210301_100000746382 [0,1,0,1,0,0|0,0,2]=4 2921 B8R1.37 O=C(CCF)C1CC1 1458a_100000210395_100011217306 [0,1,0,1,0,0|0,0,2]=4 2922 B8R1.37 O=C(CCF)C1CO1 1458a_100000701028_100011217306 [0,1,0,1,0,0|1,0,1]=4 2923 B8R1.37 O=C(CCO)C1CC1 1458a_100000210395_100000211926 [0,1,0,1,0,0|0,0,2]=4 2924 B8R1.37 O=C(CCO)C1CO1 1458a_100000701028_100000211926 [0,1,0,1,0,0|1,0,1]=4 2925 B8R1.37 [13CH3]OCC(=O)C1CC1 34a_100000686663_200025704644 [0,1,0,1,0,0|0,0,2]=4 2926 B8R1.37 [13CH3]SCC(=O)C1CC1 62a_100000746382_200025704644 [0,1,0,1,0,0|0,0,2]=4 2927 B8R1.37 [13CH3]SCC(=O)C1CC1 62a_200025704644_100000746382 [0,1,0,1,0,0|0,0,2]=4 2928 B8R1.54 CC(C)C(=O)C1CC1 1458a_100000210395_100000210206 [0,1,0,1,0,0|0,0,2]=4 2929 B8R1.54 CC(C)C(=O)C1CO1 1458a_100000701028_100000210206 [0,1,0,1,0,0|1,0,1]=4 2930 B8R1.8 CCOc1ccsc1 34a_100000106738_100000210202 [0,1,0,1,0,0|2,0,0]=4 2931 B8R1.8 CCOc1ccsc1 7a_100000106738_100000210202 [0,1,0,1,0,0|2,0,0]=4 2932 B8R1.8 CCSc1cc[nH]n1 62a_100000062575_100000210202 [0,1,0,1,0,0|2,0,0]=4 2933 B8R1.8 CCSc1cc[nH]n1 62a_100000210202_100000062575 [0,1,0,1,0,0|2,0,0]=4 2934 B8R1.8 CCSc1ccco1 62a_100000210202_100009814098 [0,1,0,1,0,0|0,0,2]=4 2935 B8R1.8 CCSc1ccco1 62a_100009814098_100000210202 [0,1,0,1,0,0|0,0,2]=4 2936 B8R1.8 CCSc1cccs1 62a_100000210202_100011215356 [0,1,0,1,0,0|0,1,1]=4 2937 B8R1.8 CCSc1cccs1 62a_100011215356_100000210202 [0,1,0,1,0,0|0,1,1]=4 2938 B8R1.8 CCSc1ccoc1 62a_100000210202_100011215275 [0,1,0,1,0,0|2,0,0]=4 2939 B8R1.8 CCSc1ccoc1 62a_100011215275_100000210202 [0,1,0,1,0,0|2,0,0]=4 2940 B8R1.8 CCSc1ccon1 62a_100000210202_100009818083 [0,1,0,1,0,0|2,0,0]=4 2941 B8R1.8 CCSc1ccon1 62a_100009818083_100000210202 [0,1,0,1,0,0|2,0,0]=4 2942 B8R1.8 CCSc1ccsc1 62a_100000210202_100000738268 [0,1,0,1,0,0|2,0,0]=4 2943 B8R1.8 CCSc1ccsc1 62a_100000738268_100000210202 [0,1,0,1,0,0|2,0,0]=4 2944 B8R1.8 CCSc1ccsn1 62a_100000210202_100009818082 [0,1,0,1,0,0|2,0,0]=4 2945 B8R1.8 CCSc1ccsn1 62a_100009818082_100000210202 [0,1,0,1,0,0|2,0,0]=4 2946 B8R1.8 CNCc1cc[nH]n1 207a_100102657272_100000738523 [0,1,0,1,0,0|2,0,0]=4 2947 B8R1.8 CNCc1cc[nH]n1 270004a_106832991635_100000738523 [0,1,0,1,0,0|2,0,0]=4 2948 B8R1.8 CNCc1ccco1 207a_100102657272_100000186105 [0,1,0,1,0,0|0,0,2]=4 2949 B8R1.8 CNCc1ccco1 2230a_100000185738_200000210301 [0,1,0,1,0,0|0,0,2]=4 2950 B8R1.8 CNCc1ccco1 270004a_106832991635_100000186105 [0,1,0,1,0,0|0,0,2]=4 2951 B8R1.8 CNCc1ccco1 34a_100000185738_200000210301 [0,1,0,1,0,0|0,0,2]=4 2952 B8R1.8 CNCc1cccs1 207a_100102657272_100000209959 [0,1,0,1,0,0|0,1,1]=4 2953 B8R1.8 CNCc1cccs1 2230a_100000211653_200000210301 [0,1,0,1,0,0|0,1,1]=4 2954 B8R1.8 CNCc1cccs1 270004a_106832991635_100000209959 [0,1,0,1,0,0|0,1,1]=4 2955 B8R1.8 CNCc1ccn[nH]1 2230a_106832991635_100000728653 [0,1,0,1,0,0|2,0,0]=4 2956 B8R1.8 CNCc1ccn[nH]1 34a_100102657272_100000728653 [0,1,0,1,0,0|2,0,0]=4 2957 B8R1.8 CNCc1ccn[nH]1 7a_106832991635_100000728653 [0,1,0,1,0,0|2,0,0]=4 2958 B8R1.8 CNCc1ccoc1 207a_100102657272_100011215517 [0,1,0,1,0,0|2,0,0]=4 2959 B8R1.8 CNCc1ccoc1 2230a_100015206860_200000210301 [0,1,0,1,0,0|2,0,0]=4 2960 B8R1.8 CNCc1ccoc1 270004a_106832991635_100011215517 [0,1,0,1,0,0|2,0,0]=4 2961 B8R1.8 CNCc1ccoc1 34a_100015206860_200000210301 [0,1,0,1,0,0|2,0,0]=4 2962 B8R1.8 CNCc1ccon1 2230a_106832991635_100000234950 [0,1,0,1,0,0|2,0,0]=4 2963 B8R1.8 CNCc1ccon1 34a_100102657272_100000234950 [0,1,0,1,0,0|2,0,0]=4 2964 B8R1.8 CNCc1ccon1 7a_106832991635_100000234950 [0,1,0,1,0,0|2,0,0]=4 2965 B8R1.8 CNCc1ccsc1 207a_100102657272_100000188534 [0,1,0,1,0,0|2,0,0]=4 2966 B8R1.8 CNCc1ccsc1 2230a_100000186416_200000210301 [0,1,0,1,0,0|2,0,0]=4 2967 B8R1.8 CNCc1ccsc1 2230a_106832991635_100011261437 [0,1,0,1,0,0|2,0,0]=4 2968 B8R1.8 CNCc1ccsc1 270004a_106832991635_100000188534 [0,1,0,1,0,0|2,0,0]=4 2969 B8R1.8 CNCc1ccsc1 34a_100000186416_200000210301 [0,1,0,1,0,0|2,0,0]=4 2970 B8R1.8 CNCc1ccsc1 34a_100102657272_100011261437 [0,1,0,1,0,0|2,0,0]=4 2971 B8R1.8 CNCc1ccsc1 7a_106832991635_100011261437 [0,1,0,1,0,0|2,0,0]=4 2972 B8R1.8 COCc1ccco1 34a_100000210059_200000210301 [0,1,0,1,0,0|0,0,2]=4 2973 B8R1.8 COCc1cccs1 34a_100000211240_200000210301 [0,1,0,1,0,0|0,1,1]=4 2974 B8R1.8 COCc1ccn[nH]1 34a_100138415774_100000728653 [0,1,0,1,0,0|2,0,0]=4 2975 B8R1.8 COCc1ccno1 34a_100000740478_200000210301 [0,1,0,1,0,0|1,0,1]=4 2976 B8R1.8 COCc1ccoc1 34a_100011215357_200000210301 [0,1,0,1,0,0|2,0,0]=4 2977 B8R1.8 COCc1ccon1 34a_100138415774_100000234950 [0,1,0,1,0,0|2,0,0]=4 2978 B8R1.8 COCc1ccsc1 34a_100011215551_200000210301 [0,1,0,1,0,0|2,0,0]=4 2979 B8R1.8 COCc1ccsc1 34a_100138415774_100011261437 [0,1,0,1,0,0|2,0,0]=4 2980 B8R1.8 CSCc1ccn[nH]1 62a_100000728653_200000210301 [0,1,0,1,0,0|2,0,0]=4 2981 B8R1.8 CSCc1ccn[nH]1 62a_200000210301_100000728653 [0,1,0,1,0,0|2,0,0]=4 2982 B8R1.8 CSCc1ccon1 62a_100000234950_200000210301 [0,1,0,1,0,0|2,0,0]=4 2983 B8R1.8 CSCc1ccon1 62a_200000210301_100000234950 [0,1,0,1,0,0|2,0,0]=4 2984 B8R1.8 CSCc1ccsc1 62a_100011261437_200000210301 [0,1,0,1,0,0|2,0,0]=4 2985 B8R1.8 CSCc1ccsc1 62a_200000210301_100011233845 [0,1,0,1,0,0|2,0,0]=4 2986 B8R1.8 [13CH3]NCc1ccco1 2230a_100000185738_200025704644 [0,1,0,1,0,0|0,0,2]=4 2987 B8R1.8 [13CH3]NCc1ccco1 34a_100000185738_200025704644 [0,1,0,1,0,0|0,0,2]=4 2988 B8R1.8 [13CH3]NCc1cccs1 2230a_100000211653_200025704644 [0,1,0,1,0,0|0,1,1]=4 2989 B8R1.8 [13CH3]NCc1ccoc1 2230a_100015206860_200025704644 [0,1,0,1,0,0|2,0,0]=4 2990 B8R1.8 [13CH3]NCc1ccoc1 34a_100015206860_200025704644 [0,1,0,1,0,0|2,0,0]=4 2991 B8R1.8 [13CH3]NCc1ccsc1 2230a_100000186416_200025704644 [0,1,0,1,0,0|2,0,0]=4 2992 B8R1.8 [13CH3]NCc1ccsc1 34a_100000186416_200025704644 [0,1,0,1,0,0|2,0,0]=4 2993 B8R1.8 [13CH3]OCc1ccco1 34a_100000210059_200025704644 [0,1,0,1,0,0|0,0,2]=4 2994 B8R1.8 [13CH3]OCc1cccs1 34a_100000211240_200025704644 [0,1,0,1,0,0|0,1,1]=4 2995 B8R1.8 [13CH3]OCc1ccno1 34a_100000740478_200025704644 [0,1,0,1,0,0|1,0,1]=4 2996 B8R1.8 [13CH3]OCc1ccoc1 34a_100011215357_200025704644 [0,1,0,1,0,0|2,0,0]=4 2997 B8R1.8 [13CH3]OCc1ccsc1 34a_100011215551_200025704644 [0,1,0,1,0,0|2,0,0]=4 2998 B8R1.8 [13CH3]SCc1ccn[nH]1 62a_100000728653_200025704644 [0,1,0,1,0,0|2,0,0]=4 2999 B8R1.8 [13CH3]SCc1ccn[nH]1 62a_200025704644_100000728653 [0,1,0,1,0,0|2,0,0]=4 3000 B8R1.8 [13CH3]SCc1ccon1 62a_100000234950_200025704644 [0,1,0,1,0,0|2,0,0]=4 3001 B8R1.8 [13CH3]SCc1ccon1 62a_200025704644_100000234950 [0,1,0,1,0,0|2,0,0]=4 3002 B8R1.8 [13CH3]SCc1ccsc1 62a_100011261437_200025704644 [0,1,0,1,0,0|2,0,0]=4 3003 B8R1.8 [13CH3]SCc1ccsc1 62a_200025704644_100011233845 [0,1,0,1,0,0|2,0,0]=4 3004 B8R1.11 CCC1C=CCN1C 2230a_100000730860_200000210301 [0,1,0,1,0,0|1,0,1]=4 3005 B8R1.11 CCC1C=CCN1C 269982a_100000730860_200000210301 [0,1,0,1,0,0|1,0,1]=4 3006 B8R1.11 CCC1C=CCN1C 34a_100000730860_200000210301 [0,1,0,1,0,0|1,0,1]=4 3007 B8R1.11 CCC1C=CCN1[13CH3] 2230a_100000730860_200025704644 [0,1,0,1,0,0|1,0,1]=4 3008 B8R1.11 CCC1C=CCN1[13CH3] 269982a_100000730860_200025704644 [0,1,0,1,0,0|1,0,1]=4 3009 B8R1.11 CCC1C=CCN1[13CH3] 34a_100000730860_200025704644 [0,1,0,1,0,0|1,0,1]=4 3010 B8R1.11 CCc1ccsc1O 271570a_203496583355_200009875468 [0,1,0,1,0,0|1,0,1]=4 3011 B8R1.11 CCc1cscc1O 271570a_203496583355_100011068457 [0,1,0,1,0,0|2,0,0]=4 3012 B8R1.11 CCn1nccc1O 271570a_203496583355_100000728327 [0,1,0,1,0,0|1,0,1]=4 3013 B8R1.11 CNC1CCCC1=O 2230a_106832991635_100000211823 [0,1,0,1,0,0|0,0,2]=4 3014 B8R1.11 CNC1CCCC1=O 34a_100102657272_100000709159 [0,1,0,1,0,0|0,0,2]=4 3015 B8R1.11 CNC1CCCC1=O 7a_106832991635_100000211823 [0,1,0,1,0,0|0,0,2]=4 3016 B8R1.11 CNC1CCNC1=O 2230a_100016995588_200000210301 [0,1,0,1,0,0|1,0,1]=4 3017 B8R1.11 CNC1CCNC1=O 34a_100016995588_200000210301 [0,1,0,1,0,0|1,0,1]=4 3018 B8R1.11 CNC1CCOC1=O 2230a_106832991635_100000211211 [0,1,0,1,0,0|1,0,1]=4 3019 B8R1.11 CNC1CCOC1=O 34a_100102657272_100000211211 [0,1,0,1,0,0|1,0,1]=4 3020 B8R1.11 CNC1CCOC1=O 7a_106832991635_100000211211 [0,1,0,1,0,0|1,0,1]=4 3021 B8R1.11 CN[C@@H]1CONC1=O 2230a_100000765999_200000210301 [0,1,0,1,0,0|2,0,0]=4 3022 B8R1.11 CN[C@@H]1CONC1=O 34a_100000765999_200000210301 [0,1,0,1,0,0|2,0,0]=4 3023 B8R1.11 COC1CCCC1=O 34a_100138415774_100000709159 [0,1,0,1,0,0|0,0,2]=4 3024 B8R1.11 COC1CCCC1=O 34a_200000719330_200000210301 [0,1,0,1,0,0|0,0,2]=4 3025 B8R1.11 COC1CCOC1=O 34a_100138415774_100000211211 [0,1,0,1,0,0|1,0,1]=4 3026 B8R1.11 CO[C@H]1CCNC1=O 34a_100000688343_200000210301 [0,1,0,1,0,0|1,0,1]=4 3027 B8R1.11 CSC1CCCC1=O 62a_100000211823_200000210301 [0,1,0,1,0,0|0,0,2]=4 3028 B8R1.11 CSC1CCCC1=O 62a_200000210301_100000211823 [0,1,0,1,0,0|0,0,2]=4 3029 B8R1.11 CSC1CCOC1=O 62a_100000211211_200000210301 [0,1,0,1,0,0|1,0,1]=4 3030 B8R1.11 CSC1CCOC1=O 62a_200000210301_100000211211 [0,1,0,1,0,0|1,0,1]=4 3031 B8R1.11 [13CH3]NC1CCNC1=O 2230a_100016995588_200025704644 [0,1,0,1,0,0|1,0,1]=4 3032 B8R1.11 [13CH3]NC1CCNC1=O 34a_100016995588_200025704644 [0,1,0,1,0,0|1,0,1]=4 3033 B8R1.11 [13CH3]N[C@@H]1CONC1=O 2230a_100000765999_200025704644 [0,1,0,1,0,0|2,0,0]=4 3034 B8R1.11 [13CH3]N[C@@H]1CONC1=O 34a_100000765999_200025704644 [0,1,0,1,0,0|2,0,0]=4 3035 B8R1.11 [13CH3]OC1CCCC1=O 34a_200000719330_200025704644 [0,1,0,1,0,0|0,0,2]=4 3036 B8R1.11 [13CH3]O[C@H]1CCNC1=O 34a_100000688343_200025704644 [0,1,0,1,0,0|1,0,1]=4 3037 B8R1.11 [13CH3]SC1CCCC1=O 62a_100000211823_200025704644 [0,1,0,1,0,0|0,0,2]=4 3038 B8R1.11 [13CH3]SC1CCCC1=O 62a_200025704644_100000211823 [0,1,0,1,0,0|0,0,2]=4 3039 B8R1.11 [13CH3]SC1CCOC1=O 62a_100000211211_200025704644 [0,1,0,1,0,0|1,0,1]=4 3040 B8R1.11 [13CH3]SC1CCOC1=O 62a_200025704644_100000211211 [0,1,0,1,0,0|1,0,1]=4 3041 B8R1.39 CCC(=O)C1(CC1)C 1458a_100000756474_100000210202 [0,1,0,1,0,0|0,0,2]=4 3042 B8R1.39 CCC(=O)C1(CC1)F 1458a_100000055089_100000210202 [0,1,0,1,0,0|0,0,2]=4 3043 B8R1.39 CCC(=O)C1(CC1)O 1458a_100000241761_100000210202 [0,1,0,1,0,0|0,0,2]=4