0 B7R0.7 C#CCC(=O)C#CC 1458a_100000763181_100000184674 [0,0,0,0,0,0|2,0,2]=4 1 B7R0.7 C#CCC(=O)C=CC 1458a_100000210699_100000184674 [0,0,0,0,0,0|2,0,2]=4 2 B7R0.7 C#CCC(=O)CCC 1458a_100000211992_100000184674 [0,0,0,0,0,0|2,0,1]=3 3 B7R0.7 C#CCC(=O)CCC 1458a_100011220946_100000210303 [0,0,0,0,0,0|2,0,1]=3 4 B7R0.7 C#CCC(=O)CCF 1458a_100011220946_100011217306 [0,0,0,0,0,0|3,0,1]=4 5 B7R0.7 C#CCC(=O)CCO 1458a_100011216618_100000184674 [0,0,0,0,0,0|3,0,1]=4 6 B7R0.7 C#CCC(=O)CCO 1458a_100011220946_100000211926 [0,0,0,0,0,0|3,0,1]=4 7 B7R0.7 C#CCC(=O)COC 1458a_100000210968_100000184674 [0,0,0,0,0,0|1,1,2]=4 8 B7R0.7 C#CCC(=O)CSC 1458a_100000184570_100000184674 [0,0,0,0,0,0|1,0,2]=3 9 B7R0.7 C#CCC(=O)NCC 527a_100015525214_100011220946 [0,0,0,0,0,0|2,0,1]=3 10 B7R0.7 C#CCC(C)OCC 34a_100000685586_100000210202 [0,0,0,0,0,0|2,0,2]=4 11 B7R0.7 C#CCC(C)OCC 7a_100000685586_100000210202 [0,0,0,0,0,0|2,0,2]=4 12 B7R0.7 C/C=C/C(C)OCC 34a_200102604097_100000210202 [0,0,0,0,0,0|2,0,2]=4 13 B7R0.7 C=CCC(=O)C#CC 1458a_100000763181_100000210623 [0,0,0,0,0,0|2,0,2]=4 14 B7R0.7 C=CCC(=O)C=CC 1458a_100000210699_100000210623 [0,0,0,0,0,0|2,0,2]=4 15 B7R0.7 C=CCC(=O)CCC 1458a_100000210193_100000210303 [0,0,0,0,0,0|2,0,1]=3 16 B7R0.7 C=CCC(=O)CCC 1458a_100000211992_100000210623 [0,0,0,0,0,0|2,0,1]=3 17 B7R0.7 C=CCC(=O)CCF 1458a_100000210193_100011217306 [0,0,0,0,0,0|3,0,1]=4 18 B7R0.7 C=CCC(=O)CCO 1458a_100000210193_100000211926 [0,0,0,0,0,0|3,0,1]=4 19 B7R0.7 C=CCC(=O)CCO 1458a_100011216618_100000210623 [0,0,0,0,0,0|3,0,1]=4 20 B7R0.7 C=CCC(=O)COC 1458a_100000210968_100000210623 [0,0,0,0,0,0|1,1,2]=4 21 B7R0.7 C=CCC(=O)CSC 1458a_100000184570_100000210623 [0,0,0,0,0,0|1,0,2]=3 22 B7R0.7 C=CCC(=O)NCC 11a_100015525214_100000210193 [0,0,0,0,0,0|2,0,1]=3 23 B7R0.7 C=CCC(=O)NCC 240690a_100015525214_100000210193 [0,0,0,0,0,0|2,0,1]=3 24 B7R0.7 C=CCC(=O)NCC 527a_100015525214_100000210193 [0,0,0,0,0,0|2,0,1]=3 25 B7R0.7 C=CCC(=O)NNC 22a_100016993582_100000210193 [0,0,0,0,0,0|3,0,1]=4 26 B7R0.7 C=CC[C@@H](C)OCC 34a_100000731007_100000210202 [0,0,0,0,0,0|2,0,2]=4 27 B7R0.7 C=CC[C@@H](C)OCC 7a_100000731007_100000210202 [0,0,0,0,0,0|2,0,2]=4 28 B7R0.7 C=COC(=O)CNC 2230a_106832991635_100000036128 [0,0,0,0,0,0|1,0,2]=3 29 B7R0.7 C=COC(=O)CNC 34a_100102657272_100000036128 [0,0,0,0,0,0|1,0,2]=3 30 B7R0.7 C=COC(=O)COC 34a_100138415774_100000036128 [0,0,0,0,0,0|0,1,2]=3 31 B7R0.7 C=COC(=O)CSC 62a_100000036128_200000210301 [0,0,0,0,0,0|0,0,2]=2 32 B7R0.7 C=COC(=O)CSC 62a_200000210301_100000036128 [0,0,0,0,0,0|0,0,2]=2 33 B7R0.7 C=COC(=O)CS[13CH3] 62a_100000036128_200025704644 [0,0,0,0,0,0|0,0,2]=2 34 B7R0.7 C=COC(=O)CS[13CH3] 62a_200025704644_100000036128 [0,0,0,0,0,0|0,0,2]=2 35 B7R0.7 CC#CC(=O)CC#N 1458a_100000763181_100011214920 [0,0,0,0,0,0|3,0,1]=4 36 B7R0.7 CC#CC(=O)CCC 1458a_100000763181_100000210303 [0,0,0,0,0,0|2,0,1]=3 37 B7R0.7 CC#CC(=O)CCF 1458a_100000763181_100011217306 [0,0,0,0,0,0|3,0,1]=4 38 B7R0.7 CC#CC(=O)CCO 1458a_100000763181_100000211926 [0,0,0,0,0,0|3,0,1]=4 39 B7R0.7 CC#CC(=O)NNC 22a_100016993582_100000763181 [0,0,0,0,0,0|3,0,1]=4 40 B7R0.7 CC#CC(C)OCC 34a_100011216543_100000210202 [0,0,0,0,0,0|2,0,2]=4 41 B7R0.7 CC=CC(=O)CC#N 1458a_100000210699_100011214920 [0,0,0,0,0,0|3,0,1]=4 42 B7R0.7 CC=CC(=O)CCC 1458a_100000210699_100000210303 [0,0,0,0,0,0|2,0,1]=3 43 B7R0.7 CC=CC(=O)CCF 1458a_100000210699_100011217306 [0,0,0,0,0,0|3,0,1]=4 44 B7R0.7 CC=CC(=O)CCO 1458a_100000210699_100000211926 [0,0,0,0,0,0|3,0,1]=4 45 B7R0.7 CC=CC(=O)NCC 11a_100015525214_100000210699 [0,0,0,0,0,0|2,0,1]=3 46 B7R0.7 CC=CC(=O)NCC 240690a_100015525214_100000210699 [0,0,0,0,0,0|2,0,1]=3 47 B7R0.7 CC=CC(=O)NNC 22a_100016993582_100000210699 [0,0,0,0,0,0|3,0,1]=4 48 B7R0.7 CCCC(=O)C=CBr 1458a_100016273825_100000210303 [0,0,0,0,0,0|3,0,1]=4 49 B7R0.7 CCCC(=O)C=CCl 1458a_200016279998_100000210303 [0,0,0,0,0,0|3,0,1]=4 50 B7R0.7 CCCC(=O)C=CI 1458a_100016256311_100000210303 [0,0,0,0,0,0|3,0,1]=4 51 B7R0.7 CCCC(=O)CC#N 1458a_100000211992_100011214920 [0,0,0,0,0,0|3,0,0]=3 52 B7R0.7 CCCC(=O)CC#N 1458a_100051588842_100000210303 [0,0,0,0,0,0|3,0,0]=3 53 B7R0.7 CCCC(=O)CCC 1458a_100000211992_100000210303 [0,0,0,0,0,0|2,0,0]=2 54 B7R0.7 CCCC(=O)CCF 1458a_100000211992_100011217306 [0,0,0,0,0,0|3,0,0]=3 55 B7R0.7 CCCC(=O)CCO 1458a_100000211992_100000211926 [0,0,0,0,0,0|3,0,0]=3 56 B7R0.7 CCCC(=O)CCO 1458a_100011216618_100000210303 [0,0,0,0,0,0|3,0,0]=3 57 B7R0.7 CCCC(=O)CNC 2230a_106832991635_100000747444 [0,0,0,0,0,0|2,0,0]=2 58 B7R0.7 CCCC(=O)CNC 7a_106832991635_100000747444 [0,0,0,0,0,0|2,0,0]=2 59 B7R0.7 CCCC(=O)COC 1458a_100000210968_100000210303 [0,0,0,0,0,0|1,1,0]=2 60 B7R0.7 CCCC(=O)CSC 1458a_100000184570_100000210303 [0,0,0,0,0,0|1,0,0]=1 61 B7R0.7 CCCC(=O)CSC 62a_100000747444_200000210301 [0,0,0,0,0,0|1,0,0]=1 62 B7R0.7 CCCC(=O)CSC 62a_200000210301_100000747444 [0,0,0,0,0,0|1,0,0]=1 63 B7R0.7 CCCC(=O)CS[13CH3] 62a_100000747444_200025704644 [0,0,0,0,0,0|1,0,0]=1 64 B7R0.7 CCCC(=O)CS[13CH3] 62a_200025704644_100000747444 [0,0,0,0,0,0|1,0,0]=1 65 B7R0.7 CCCC(=O)NCC 11a_100015525214_100000211992 [0,0,0,0,0,0|2,0,0]=2 66 B7R0.7 CCCC(=O)NCC 240690a_100015525214_100000211992 [0,0,0,0,0,0|2,0,0]=2 67 B7R0.7 CCCC(=O)NCC 527a_100015525214_100000211992 [0,0,0,0,0,0|2,0,0]=2 68 B7R0.7 CCCC(=O)NNC 22a_100016993582_100000211992 [0,0,0,0,0,0|3,0,0]=3 69 B7R0.7 CCCC(C)CNC 2230a_106832991635_100011216630 [0,0,0,0,0,0|3,0,1]=4 70 B7R0.7 CCCC(C)CNC 270004a_106832991635_100000243154 [0,0,0,0,0,0|3,0,1]=4 71 B7R0.7 CCCC(C)CNC 34a_100102657272_100011216630 [0,0,0,0,0,0|3,0,1]=4 72 B7R0.7 CCCC(C)CNC 7a_106832991635_100011216630 [0,0,0,0,0,0|3,0,1]=4 73 B7R0.7 CCCC(C)COC 34a_100000688023_200000210301 [0,0,0,0,0,0|2,1,1]=4 74 B7R0.7 CCCC(C)COC 34a_100138415774_100011216630 [0,0,0,0,0,0|2,1,1]=4 75 B7R0.7 CCCC(C)COC 7a_100000688023_200000210301 [0,0,0,0,0,0|2,1,1]=4 76 B7R0.7 CCCC(C)CO[13CH3] 34a_100000688023_200025704644 [0,0,0,0,0,0|2,1,1]=4 77 B7R0.7 CCCC(C)CO[13CH3] 7a_100000688023_200025704644 [0,0,0,0,0,0|2,1,1]=4 78 B7R0.7 CCCC(C)CSC 62a_100011216630_200000210301 [0,0,0,0,0,0|2,0,1]=3 79 B7R0.7 CCCC(C)CSC 62a_200000210301_100011216630 [0,0,0,0,0,0|2,0,1]=3 80 B7R0.7 CCCC(C)CS[13CH3] 62a_100011216630_200025704644 [0,0,0,0,0,0|2,0,1]=3 81 B7R0.7 CCCC(C)CS[13CH3] 62a_200025704644_100011216630 [0,0,0,0,0,0|2,0,1]=3 82 B7R0.7 CCCC(C)NCC 2230a_100000741246_100000210202 [0,0,0,0,0,0|3,0,1]=4 83 B7R0.7 CCCC(C)NCC 2230a_100015525214_100000766640 [0,0,0,0,0,0|3,0,1]=4 84 B7R0.7 CCCC(C)NCC 270004a_100015525214_100000211909 [0,0,0,0,0,0|3,0,1]=4 85 B7R0.7 CCCC(C)OCC 34a_100000764384_100000210202 [0,0,0,0,0,0|2,0,1]=3 86 B7R0.7 CCCC(C)OCC 34a_100121572206_100000766640 [0,0,0,0,0,0|2,0,1]=3 87 B7R0.7 CCCC(C)OCC 7a_100000764384_100000210202 [0,0,0,0,0,0|2,0,1]=3 88 B7R0.7 CCCC(C)OCF 34a_100000764384_100015361967 [0,0,0,0,0,0|3,0,1]=4 89 B7R0.7 CCCC(C)OCF 7a_100000764384_100015361967 [0,0,0,0,0,0|3,0,1]=4 90 B7R0.7 CCCC(C)SCC 62a_100000210202_100000766640 [0,0,0,0,0,0|2,1,1]=4 91 B7R0.7 CCCC(C)SCC 62a_100000766640_100000210202 [0,0,0,0,0,0|2,1,1]=4 92 B7R0.7 CCCN(C)CCC 2230a_100000210455_200000210301 [0,0,0,0,0,0|4,0,0]=4 93 B7R0.7 CCCN(C)CCC 2230a_100000747261_100000210303 [0,0,0,0,0,0|4,0,0]=4 94 B7R0.7 CCCN(C)CCC 269982a_100000210455_200000210301 [0,0,0,0,0,0|4,0,0]=4 95 B7R0.7 CCCN(C)CCC 269982a_100000747261_100000210303 [0,0,0,0,0,0|4,0,0]=4 96 B7R0.7 CCCN(C)COC 2230a_100000747261_100000766300 [0,0,0,0,0,0|3,1,0]=4 97 B7R0.7 CCCN(C)COC 269982a_100000747261_100000766300 [0,0,0,0,0,0|3,1,0]=4 98 B7R0.7 CCCN(C)CSC 2230a_100000747261_100011218213 [0,0,0,0,0,0|3,0,0]=3 99 B7R0.7 CCCN(C)CSC 269982a_100000747261_100011218213 [0,0,0,0,0,0|3,0,0]=3 100 B7R0.7 CCCN([13CH3])CCC 2230a_100000210455_200025704644 [0,0,0,0,0,0|4,0,0]=4 101 B7R0.7 CCCN([13CH3])CCC 269982a_100000210455_200025704644 [0,0,0,0,0,0|4,0,0]=4 102 B7R0.7 CCC[C@H](N)COC 34a_100000732646_200000210301 [0,0,0,0,0,0|2,1,1]=4 103 B7R0.7 CCC[C@H](N)CO[13CH3] 34a_100000732646_200025704644 [0,0,0,0,0,0|2,1,1]=4 104 B7R0.7 CCNC(=O)C=CBr 240690a_100015525214_100016273825 [0,0,0,0,0,0|3,0,1]=4 105 B7R0.7 CCNC(=O)C=CCl 11a_100015525214_200016279998 [0,0,0,0,0,0|3,0,1]=4 106 B7R0.7 CCNC(=O)C=CCl 240690a_100015525214_200016279998 [0,0,0,0,0,0|3,0,1]=4 107 B7R0.7 CCNC(=O)CC#N 240690a_100015525214_100051588842 [0,0,0,0,0,0|3,0,0]=3 108 B7R0.7 CCNC(=O)CCO 240690a_100015525214_100011216618 [0,0,0,0,0,0|3,0,0]=3 109 B7R0.7 CCNC(=O)CNC 2230a_100016988866_200000210301 [0,0,0,0,0,0|2,0,0]=2 110 B7R0.7 CCNC(=O)CNC 2230a_106832991635_100000183381 [0,0,0,0,0,0|2,0,0]=2 111 B7R0.7 CCNC(=O)CNC 34a_100102657272_100000183381 [0,0,0,0,0,0|2,0,0]=2 112 B7R0.7 CCNC(=O)CNC 7a_106832991635_100000183381 [0,0,0,0,0,0|2,0,0]=2 113 B7R0.7 CCNC(=O)CN[13CH3] 2230a_100016988866_200025704644 [0,0,0,0,0,0|2,0,0]=2 114 B7R0.7 CCNC(=O)COC 11a_100015525214_100000210968 [0,0,0,0,0,0|1,1,0]=2 115 B7R0.7 CCNC(=O)COC 240690a_100015525214_100000210968 [0,0,0,0,0,0|1,1,0]=2 116 B7R0.7 CCNC(=O)COC 34a_100138415774_100000183381 [0,0,0,0,0,0|1,1,0]=2 117 B7R0.7 CCNC(=O)COC 527a_100015525214_100000210968 [0,0,0,0,0,0|1,1,0]=2 118 B7R0.7 CCNC(=O)CSC 11a_100015525214_100000184570 [0,0,0,0,0,0|1,0,0]=1 119 B7R0.7 CCNC(=O)CSC 240690a_100015525214_100000184570 [0,0,0,0,0,0|1,0,0]=1 120 B7R0.7 CCNC(=O)CSC 527a_100015525214_100000184570 [0,0,0,0,0,0|1,0,0]=1 121 B7R0.7 CCNC(=O)CSC 62a_100000183381_200000210301 [0,0,0,0,0,0|1,0,0]=1 122 B7R0.7 CCNC(=O)CSC 62a_200000210301_100000183381 [0,0,0,0,0,0|1,0,0]=1 123 B7R0.7 CCNC(=O)CS[13CH3] 62a_100000183381_200025704644 [0,0,0,0,0,0|1,0,0]=1 124 B7R0.7 CCNC(=O)CS[13CH3] 62a_200025704644_100000183381 [0,0,0,0,0,0|1,0,0]=1 125 B7R0.7 CCNC(=O)NCC 2708a_100015525214_100015525214 [0,0,0,0,0,0|3,0,0]=3 126 B7R0.7 CCNC(=O)NCC 273464a_100015525214_100015525214 [0,0,0,0,0,0|3,0,0]=3 127 B7R0.7 CCNC(=O)NCC 512a_100015525214_100015525214 [0,0,0,0,0,0|3,0,0]=3 128 B7R0.7 CCNC(=O)NNC 273464a_100015525214_100016993582 [0,0,0,0,0,0|3,0,0]=3 129 B7R0.7 CCNC(=O)NNC 512a_100015525214_100016993582 [0,0,0,0,0,0|3,0,0]=3 130 B7R0.7 CCNC(=O)NNC 512a_100016993582_100015525214 [0,0,0,0,0,0|3,0,0]=3 131 B7R0.7 CCNC(C)COC 2230a_100015525214_100000765312 [0,0,0,0,0,0|2,1,1]=4 132 B7R0.7 CCNC(C)COC 270004a_100015525214_100000749346 [0,0,0,0,0,0|2,1,1]=4 133 B7R0.7 CCNC(C)CSC 270004a_100015525214_100011216314 [0,0,0,0,0,0|2,0,1]=3 134 B7R0.7 CCN[C@H](C)COC 2230a_100000764878_100000210202 [0,0,0,0,0,0|2,1,1]=4 135 B7R0.7 CCOC(=O)CNC 2230a_106832991635_100000188475 [0,0,0,0,0,0|1,0,0]=1 136 B7R0.7 CCOC(=O)CNC 34a_100102657272_100000188475 [0,0,0,0,0,0|1,0,0]=1 137 B7R0.7 CCOC(=O)CNC 7a_106832991635_100000188475 [0,0,0,0,0,0|1,0,0]=1 138 B7R0.7 CCOC(=O)COC 34a_100138415774_100000188475 [0,0,0,0,0,0|0,1,0]=1 139 B7R0.7 CCOC(=O)CSC 62a_100000188475_200000210301 [0,0,0,0,0,0|0,0,0]=0 140 B7R0.7 CCOC(=O)CSC 62a_200000210301_100000188475 [0,0,0,0,0,0|0,0,0]=0 141 B7R0.7 CCOC(=O)CS[13CH3] 62a_100000188475_200025704644 [0,0,0,0,0,0|0,0,0]=0 142 B7R0.7 CCOC(=O)CS[13CH3] 62a_200025704644_100000188475 [0,0,0,0,0,0|0,0,0]=0 143 B7R0.7 CCOC(C)CCBr 34a_100012276601_100000210202 [0,0,0,0,0,0|3,0,1]=4 144 B7R0.7 CCOC(C)CCO 34a_100121572206_100009893172 [0,0,0,0,0,0|3,0,1]=4 145 B7R0.7 CCOC(C)COC 34a_100121572206_100000765312 [0,0,0,0,0,0|1,1,1]=3 146 B7R0.7 CCO[C@H](C)COC 34a_100011934205_100000210202 [0,0,0,0,0,0|1,1,1]=3 147 B7R0.7 CCSC(C)COC 62a_100000210202_100000765312 [0,0,0,0,0,0|1,2,1]=4 148 B7R0.7 CCSC(C)COC 62a_100000765312_100000210202 [0,0,0,0,0,0|1,2,1]=4 149 B7R0.7 CNCC(=O)NCO 2230a_106832991635_100000185155 [0,0,0,0,0,0|3,0,0]=3 150 B7R0.7 CNCC(=O)NCO 34a_100102657272_100000185155 [0,0,0,0,0,0|3,0,0]=3 151 B7R0.7 CNCC(=O)NCO 7a_106832991635_100000185155 [0,0,0,0,0,0|3,0,0]=3 152 B7R0.7 CNNC(=O)CC#N 22a_100016993582_100051588842 [0,0,0,0,0,0|4,0,0]=4 153 B7R0.7 CNNC(=O)CCO 22a_100016993582_100011216618 [0,0,0,0,0,0|4,0,0]=4 154 B7R0.7 CNNC(=O)COC 22a_100016993582_100000210968 [0,0,0,0,0,0|2,1,0]=3 155 B7R0.7 CNNC(=O)CSC 22a_100016993582_100000184570 [0,0,0,0,0,0|2,0,0]=2 156 B7R0.7 CNNC(=O)NNC 512a_100016993582_100016993582 [0,0,0,0,0,0|4,0,0]=4 157 B7R0.7 COCC(=O)CC#N 1458a_100000210968_100011214920 [0,0,0,0,0,0|2,1,1]=4 158 B7R0.7 COCC(=O)CCF 1458a_100000210968_100011217306 [0,0,0,0,0,0|2,1,0]=3 159 B7R0.7 COCC(=O)CCO 1458a_100000210968_100000211926 [0,0,0,0,0,0|2,1,0]=3 160 B7R0.7 COCC(=O)NCO 34a_100138415774_100000185155 [0,0,0,0,0,0|2,1,0]=3 161 B7R0.7 COCC(O)CSC 62a_100011215053_200000210301 [0,0,0,0,0,0|2,0,2]=4 162 B7R0.7 COCC(O)CSC 62a_200000210301_100011215053 [0,0,0,0,0,0|2,0,2]=4 163 B7R0.7 COCC(O)CS[13CH3] 62a_100011215053_200025704644 [0,0,0,0,0,0|2,0,2]=4 164 B7R0.7 COCC(O)CS[13CH3] 62a_200025704644_100011215053 [0,0,0,0,0,0|2,0,2]=4 165 B7R0.7 COC[C@@H](C)OCF 34a_100011934205_100015361967 [0,0,0,0,0,0|2,1,1]=4 166 B7R0.7 CSCC(=O)CC#N 1458a_100000184570_100011214920 [0,0,0,0,0,0|2,0,1]=3 167 B7R0.7 CSCC(=O)CCF 1458a_100000184570_100011217306 [0,0,0,0,0,0|2,0,0]=2 168 B7R0.7 CSCC(=O)CCO 1458a_100000184570_100000211926 [0,0,0,0,0,0|2,0,0]=2 169 B7R0.7 CSCC(=O)NCO 62a_100000185155_200000210301 [0,0,0,0,0,0|2,0,0]=2 170 B7R0.7 CSCC(=O)NCO 62a_200000210301_100000185155 [0,0,0,0,0,0|2,0,0]=2 171 B7R0.7 CSCN(C)CCO 2230a_100000210263_100011218213 [0,0,0,0,0,0|4,0,0]=4 172 B7R0.7 CSCN(C)CCO 269982a_100000210263_100011218213 [0,0,0,0,0,0|4,0,0]=4 173 B7R0.7 N#CCC(=O)CCF 1458a_100051588842_100011217306 [0,0,0,0,0,0|4,0,0]=4 174 B7R0.7 N#CCC(=O)CCO 1458a_100011216618_100011214920 [0,0,0,0,0,0|4,0,0]=4 175 B7R0.7 N#CCC(=O)CCO 1458a_100051588842_100000211926 [0,0,0,0,0,0|4,0,0]=4 176 B7R0.7 O=C(CCO)CCF 1458a_100011216618_100011217306 [0,0,0,0,0,0|4,0,0]=4 177 B7R0.7 O=C(CCO)CCO 1458a_100011216618_100000211926 [0,0,0,0,0,0|4,0,0]=4 178 B7R0.7 [13CH3]SCC(=O)NCO 62a_100000185155_200025704644 [0,0,0,0,0,0|2,0,0]=2 179 B7R0.7 [13CH3]SCC(=O)NCO 62a_200025704644_100000185155 [0,0,0,0,0,0|2,0,0]=2 180 B6R0.1 C#CC(=O)CCC 1458a_100000211873_100000210303 [1,0,0,0,0,0|1,0,2]=4 181 B6R0.1 C#CCC(=O)CC 1458a_100000210414_100000184674 [1,0,0,0,0,0|1,0,1]=3 182 B6R0.1 C#CCC(=O)CC 1458a_100011220946_100000210202 [1,0,0,0,0,0|1,0,1]=3 183 B6R0.1 C#CCC(=O)CF 1458a_100011220946_100015361967 [1,0,0,0,0,0|2,0,1]=4 184 B6R0.1 C#CCC(=O)CO 1458a_100000210174_100000184674 [1,0,0,0,0,0|2,0,1]=4 185 B6R0.1 C#CCC(=O)NC 1626a_100102657272_100011220946 [1,0,0,0,0,0|2,0,1]=4 186 B6R0.1 C#CCC(=O)NC 527a_100102657272_100011220946 [1,0,0,0,0,0|2,0,1]=4 187 B6R0.1 C=C(C#N)CSC 62a_200000210301_100000694840 [1,0,0,0,0,0|2,0,1]=4 188 B6R0.1 C=C(C#N)CS[13CH3] 62a_200025704644_100000694840 [1,0,0,0,0,0|2,0,1]=4 189 B6R0.1 C=CC(=O)CCC 1458a_100000185746_100000210303 [1,0,0,0,0,0|1,0,2]=4 190 B6R0.1 C=CC(=O)NCC 240690a_100015525214_200121576911 [1,0,0,0,0,0|1,0,2]=4 191 B6R0.1 C=CCC(=O)CC 1458a_100000210193_100000210202 [1,0,0,0,0,0|1,0,1]=3 192 B6R0.1 C=CCC(=O)CC 1458a_100000210414_100000210623 [1,0,0,0,0,0|1,0,1]=3 193 B6R0.1 C=CCC(=O)CF 1458a_100000210193_100015361967 [1,0,0,0,0,0|2,0,1]=4 194 B6R0.1 C=CCC(=O)CO 1458a_100000210174_100000210623 [1,0,0,0,0,0|2,0,1]=4 195 B6R0.1 C=CCC(=O)NC 11a_106832991635_100000210193 [1,0,0,0,0,0|2,0,1]=4 196 B6R0.1 C=CCC(=O)NC 1626a_100102657272_100000210193 [1,0,0,0,0,0|2,0,1]=4 197 B6R0.1 C=CCC(=O)NC 240690a_100102657272_100000210193 [1,0,0,0,0,0|2,0,1]=4 198 B6R0.1 C=CCC(=O)NC 527a_100102657272_100000210193 [1,0,0,0,0,0|2,0,1]=4 199 B6R0.1 CC#CC(=O)CC 1458a_100000763181_100000210202 [1,0,0,0,0,0|1,0,1]=3 200 B6R0.1 CC#CC(=O)CF 1458a_100000763181_100015361967 [1,0,0,0,0,0|2,0,1]=4 201 B6R0.1 CC=CC(=O)CC 1458a_100000210699_100000210202 [1,0,0,0,0,0|1,0,1]=3 202 B6R0.1 CC=CC(=O)CF 1458a_100000210699_100015361967 [1,0,0,0,0,0|2,0,1]=4 203 B6R0.1 CC=CC(=O)NC 11a_106832991635_100000210699 [1,0,0,0,0,0|2,0,1]=4 204 B6R0.1 CC=CC(=O)NC 1626a_100102657272_100000210699 [1,0,0,0,0,0|2,0,1]=4 205 B6R0.1 CC=CC(=O)NC 240690a_100102657272_100000210699 [1,0,0,0,0,0|2,0,1]=4 206 B6R0.1 CCC(=O)C=CBr 1458a_100016273825_100000210202 [1,0,0,0,0,0|2,0,1]=4 207 B6R0.1 CCC(=O)C=CCl 1458a_200016279998_100000210202 [1,0,0,0,0,0|2,0,1]=4 208 B6R0.1 CCC(=O)C=CI 1458a_100016256311_100000210202 [1,0,0,0,0,0|2,0,1]=4 209 B6R0.1 CCC(=O)CC#N 1458a_100000210414_100011214920 [1,0,0,0,0,0|2,0,0]=3 210 B6R0.1 CCC(=O)CC#N 1458a_100051588842_100000210202 [1,0,0,0,0,0|2,0,0]=3 211 B6R0.1 CCC(=O)CCF 1458a_100000210414_100011217306 [1,0,0,0,0,0|2,0,0]=3 212 B6R0.1 CCC(=O)CCO 1458a_100000210414_100000211926 [1,0,0,0,0,0|2,0,0]=3 213 B6R0.1 CCC(=O)CCO 1458a_100011216618_100000210202 [1,0,0,0,0,0|2,0,0]=3 214 B6R0.1 CCC(=O)CNC 7a_106832991635_100000747405 [1,0,0,0,0,0|1,0,0]=2 215 B6R0.1 CCC(=O)COC 1458a_100000210968_100000210202 [1,0,0,0,0,0|0,1,0]=2 216 B6R0.1 CCC(=O)COC 34a_100000725409_200000210301 [1,0,0,0,0,0|0,1,0]=2 217 B6R0.1 CCC(=O)CO[13CH3] 34a_100000725409_200025704644 [1,0,0,0,0,0|0,1,0]=2 218 B6R0.1 CCC(=O)CSC 1458a_100000184570_100000210202 [1,0,0,0,0,0|0,0,0]=1 219 B6R0.1 CCC(=O)CSC 62a_100000747405_200000210301 [1,0,0,0,0,0|0,0,0]=1 220 B6R0.1 CCC(=O)CSC 62a_200000210301_100000747405 [1,0,0,0,0,0|0,0,0]=1 221 B6R0.1 CCC(=O)CS[13CH3] 62a_100000747405_200025704644 [1,0,0,0,0,0|0,0,0]=1 222 B6R0.1 CCC(=O)CS[13CH3] 62a_200025704644_100000747405 [1,0,0,0,0,0|0,0,0]=1 223 B6R0.1 CCC(=O)NNC 22a_100016993582_100000210414 [1,0,0,0,0,0|2,0,0]=3 224 B6R0.1 CCC(C)CNC 2230a_100020588543_200000210301 [1,0,0,0,0,0|2,0,1]=4 225 B6R0.1 CCC(C)CNC 2230a_106832991635_100000748023 [1,0,0,0,0,0|2,0,1]=4 226 B6R0.1 CCC(C)CNC 270004a_106832991635_100000243153 [1,0,0,0,0,0|2,0,1]=4 227 B6R0.1 CCC(C)CNC 34a_100102657272_100000748023 [1,0,0,0,0,0|2,0,1]=4 228 B6R0.1 CCC(C)CNC 7a_106832991635_100000748023 [1,0,0,0,0,0|2,0,1]=4 229 B6R0.1 CCC(C)CN[13CH3] 2230a_100020588543_200025704644 [1,0,0,0,0,0|2,0,1]=4 230 B6R0.1 CCC(C)COC 34a_100138415774_100000748023 [1,0,0,0,0,0|1,1,1]=4 231 B6R0.1 CCC(C)CSC 62a_100000748023_200000210301 [1,0,0,0,0,0|1,0,1]=3 232 B6R0.1 CCC(C)CSC 62a_200000210301_100000748023 [1,0,0,0,0,0|1,0,1]=3 233 B6R0.1 CCC(C)CS[13CH3] 62a_100000748023_200025704644 [1,0,0,0,0,0|1,0,1]=3 234 B6R0.1 CCC(C)CS[13CH3] 62a_200025704644_100000748023 [1,0,0,0,0,0|1,0,1]=3 235 B6R0.1 CCC(C)OCF 7a_100000210228_100015361967 [1,0,0,0,0,0|2,0,1]=4 236 B6R0.1 CCC(O)CNC 2230a_100011218483_200000210301 [1,0,0,0,0,0|1,0,2]=4 237 B6R0.1 CCC(O)CNC 2230a_106832991635_100011218378 [1,0,0,0,0,0|1,0,2]=4 238 B6R0.1 CCC(O)CNC 34a_100102657272_100011218378 [1,0,0,0,0,0|1,0,2]=4 239 B6R0.1 CCC(O)CNC 7a_106832991635_100011218378 [1,0,0,0,0,0|1,0,2]=4 240 B6R0.1 CCC(O)CN[13CH3] 2230a_100011218483_200025704644 [1,0,0,0,0,0|1,0,2]=4 241 B6R0.1 CCC(O)COC 34a_100138415774_100011218378 [1,0,0,0,0,0|0,1,2]=4 242 B6R0.1 CCC(O)CSC 62a_100011218378_200000210301 [1,0,0,0,0,0|0,0,2]=3 243 B6R0.1 CCC(O)CSC 62a_200000210301_100011218378 [1,0,0,0,0,0|0,0,2]=3 244 B6R0.1 CCC(O)CS[13CH3] 62a_100011218378_200025704644 [1,0,0,0,0,0|0,0,2]=3 245 B6R0.1 CCC(O)CS[13CH3] 62a_200025704644_100011218378 [1,0,0,0,0,0|0,0,2]=3 246 B6R0.1 CCCC(=O)CC 1458a_100000210414_100000210303 [1,0,0,0,0,0|1,0,0]=2 247 B6R0.1 CCCC(=O)CC 1458a_100000211992_100000210202 [1,0,0,0,0,0|1,0,0]=2 248 B6R0.1 CCCC(=O)CF 1458a_100000211992_100015361967 [1,0,0,0,0,0|2,0,0]=3 249 B6R0.1 CCCC(=O)CO 1458a_100000210174_100000210303 [1,0,0,0,0,0|1,1,0]=3 250 B6R0.1 CCCC(=O)NC 11a_106832991635_100000211992 [1,0,0,0,0,0|2,0,0]=3 251 B6R0.1 CCCC(=O)NC 1626a_100102657272_100000211992 [1,0,0,0,0,0|2,0,0]=3 252 B6R0.1 CCCC(=O)NC 240690a_100102657272_100000211992 [1,0,0,0,0,0|2,0,0]=3 253 B6R0.1 CCCC(=O)NC 527a_100102657272_100000211992 [1,0,0,0,0,0|2,0,0]=3 254 B6R0.1 CCCC(C)OC 34a_100000764384_200000210301 [1,0,0,0,0,0|2,0,1]=4 255 B6R0.1 CCCC(C)OC 34a_100138415774_100000766640 [1,0,0,0,0,0|2,0,1]=4 256 B6R0.1 CCCC(C)OC 7a_100000764384_200000210301 [1,0,0,0,0,0|2,0,1]=4 257 B6R0.1 CCCC(C)O[13CH3] 34a_100000764384_200025704644 [1,0,0,0,0,0|2,0,1]=4 258 B6R0.1 CCCC(C)O[13CH3] 7a_100000764384_200025704644 [1,0,0,0,0,0|2,0,1]=4 259 B6R0.1 CCCC(C)SC 62a_100000766640_200000210301 [1,0,0,0,0,0|2,0,1]=4 260 B6R0.1 CCCC(C)SC 62a_200000210301_100000766640 [1,0,0,0,0,0|2,0,1]=4 261 B6R0.1 CCCC(C)S[13CH3] 62a_100000766640_200025704644 [1,0,0,0,0,0|2,0,1]=4 262 B6R0.1 CCCC(C)S[13CH3] 62a_200025704644_100000766640 [1,0,0,0,0,0|2,0,1]=4 263 B6R0.1 CCCN(C)CC 2230a_100000225621_100000210303 [1,0,0,0,0,0|3,0,0]=4 264 B6R0.1 CCCN(C)CC 2230a_100000226822_200000210301 [1,0,0,0,0,0|3,0,0]=4 265 B6R0.1 CCCN(C)CC 2230a_100000747261_100000210202 [1,0,0,0,0,0|3,0,0]=4 266 B6R0.1 CCCN(C)CC 269982a_100000225621_100000210303 [1,0,0,0,0,0|3,0,0]=4 267 B6R0.1 CCCN(C)CC 269982a_100000226822_200000210301 [1,0,0,0,0,0|3,0,0]=4 268 B6R0.1 CCCN(C)CC 269982a_100000747261_100000204670 [1,0,0,0,0,0|3,0,0]=4 269 B6R0.1 CCCN([13CH3])CC 2230a_100000226822_200025704644 [1,0,0,0,0,0|3,0,0]=4 270 B6R0.1 CCCN([13CH3])CC 269982a_100000226822_200025704644 [1,0,0,0,0,0|3,0,0]=4 271 B6R0.1 CCN(C)COC 2230a_100000225621_100000766300 [1,0,0,0,0,0|2,1,0]=4 272 B6R0.1 CCN(C)COC 269982a_100000225621_100000766300 [1,0,0,0,0,0|2,1,0]=4 273 B6R0.1 CCN(C)CSC 2230a_100000225621_100011218213 [1,0,0,0,0,0|2,0,0]=3 274 B6R0.1 CCN(C)CSC 269982a_100000225621_100011218213 [1,0,0,0,0,0|2,0,0]=3 275 B6R0.1 CCNC(=O)CC 11a_100015525214_100000210414 [1,0,0,0,0,0|1,0,0]=2 276 B6R0.1 CCNC(=O)CC 240690a_100015525214_100000210414 [1,0,0,0,0,0|1,0,0]=2 277 B6R0.1 CCNC(=O)CC 527a_100015525214_100000210414 [1,0,0,0,0,0|1,0,0]=2 278 B6R0.1 CCNC(=O)CO 240690a_100015525214_100000210174 [1,0,0,0,0,0|1,1,0]=3 279 B6R0.1 CCNC(=O)CO 527a_100015525214_100000210174 [1,0,0,0,0,0|1,1,0]=3 280 B6R0.1 CCNC(=O)NC 2708a_100015525214_106832991635 [1,0,0,0,0,0|2,0,0]=3 281 B6R0.1 CCNC(=O)NC 2708a_100102657272_100015525214 [1,0,0,0,0,0|2,0,0]=3 282 B6R0.1 CCNC(=O)NC 273464a_100015525214_100102657272 [1,0,0,0,0,0|2,0,0]=3 283 B6R0.1 CCNC(=O)NC 273464a_100102657272_100015525214 [1,0,0,0,0,0|2,0,0]=3 284 B6R0.1 CCNC(=O)NC 512a_100015525214_100102657272 [1,0,0,0,0,0|2,0,0]=3 285 B6R0.1 CCNC(=O)NC 512a_106832991638_100015525214 [1,0,0,0,0,0|2,0,0]=3 286 B6R0.1 CCNC(C)CC 2230a_100000209981_100000210202 [1,0,0,0,0,0|2,0,1]=4 287 B6R0.1 CCNC(C)CC 2230a_100015525214_100000758301 [1,0,0,0,0,0|2,0,1]=4 288 B6R0.1 CCOC(C)CC 34a_100121572206_100011215416 [1,0,0,0,0,0|1,0,1]=3 289 B6R0.1 CCOC(C)CC 7a_100000210228_100000210202 [1,0,0,0,0,0|1,0,1]=3 290 B6R0.1 CCOC(C)CF 34a_100016041109_100000210202 [1,0,0,0,0,0|2,0,1]=4 291 B6R0.1 CCOC(C)CF 7a_100016041109_100000210202 [1,0,0,0,0,0|2,0,1]=4 292 B6R0.1 CCOC(C)CN 34a_100000210904_100000210202 [1,0,0,0,0,0|2,0,1]=4 293 B6R0.1 CCOC(C)CO 34a_100121572206_100012180447 [1,0,0,0,0,0|1,1,1]=4 294 B6R0.1 CCSC(C)CC 62a_100000210202_100000758301 [1,0,0,0,0,0|1,1,1]=4 295 B6R0.1 CCSC(C)CC 62a_100000758301_100000210202 [1,0,0,0,0,0|1,1,1]=4 296 B6R0.1 CC[C@H](C)CNC 2230a_106832991635_100009816398 [1,0,0,0,0,0|2,0,1]=4 297 B6R0.1 CC[C@H](C)CNC 34a_100102657272_100009816398 [1,0,0,0,0,0|2,0,1]=4 298 B6R0.1 CC[C@H](C)CNC 7a_106832991635_100009816398 [1,0,0,0,0,0|2,0,1]=4 299 B6R0.1 CC[C@H](C)COC 34a_100138415774_100009816398 [1,0,0,0,0,0|1,1,1]=4 300 B6R0.1 CC[C@H](C)COC 7a_100009816381_200000210301 [1,0,0,0,0,0|1,1,1]=4 301 B6R0.1 CC[C@H](C)CO[13CH3] 7a_100009816381_200025704644 [1,0,0,0,0,0|1,1,1]=4 302 B6R0.1 CC[C@H](C)CSC 62a_100009816398_200000210301 [1,0,0,0,0,0|1,0,1]=3 303 B6R0.1 CC[C@H](C)CSC 62a_200000210301_100009816398 [1,0,0,0,0,0|1,0,1]=3 304 B6R0.1 CC[C@H](C)CS[13CH3] 62a_100009816398_200025704644 [1,0,0,0,0,0|1,0,1]=3 305 B6R0.1 CC[C@H](C)CS[13CH3] 62a_200025704644_100009816398 [1,0,0,0,0,0|1,0,1]=3 306 B6R0.1 CNC(=O)CC#N 1626a_100102657272_100051588842 [1,0,0,0,0,0|3,0,0]=4 307 B6R0.1 CNC(=O)CC#N 240690a_100102657272_100051588842 [1,0,0,0,0,0|3,0,0]=4 308 B6R0.1 CNC(=O)CCO 240690a_100102657272_100011216618 [1,0,0,0,0,0|3,0,0]=4 309 B6R0.1 CNC(=O)CN[13CH3] 2230a_100000693194_200025704644 [1,0,0,0,0,0|2,0,0]=3 310 B6R0.1 CNC(=O)COC 11a_106832991635_100000210968 [1,0,0,0,0,0|1,1,0]=3 311 B6R0.1 CNC(=O)COC 1626a_100102657272_100000210968 [1,0,0,0,0,0|1,1,0]=3 312 B6R0.1 CNC(=O)COC 240690a_100102657272_100000210968 [1,0,0,0,0,0|1,1,0]=3 313 B6R0.1 CNC(=O)COC 34a_100000750040_200000210301 [1,0,0,0,0,0|1,1,0]=3 314 B6R0.1 CNC(=O)COC 34a_100138415774_100000183359 [1,0,0,0,0,0|1,1,0]=3 315 B6R0.1 CNC(=O)COC 527a_100102657272_100000210968 [1,0,0,0,0,0|1,1,0]=3 316 B6R0.1 CNC(=O)CO[13CH3] 34a_100000750040_200025704644 [1,0,0,0,0,0|1,1,0]=3 317 B6R0.1 CNC(=O)CSC 11a_106832991635_100000184570 [1,0,0,0,0,0|1,0,0]=2 318 B6R0.1 CNC(=O)CSC 1626a_100102657272_100000184570 [1,0,0,0,0,0|1,0,0]=2 319 B6R0.1 CNC(=O)CSC 240690a_100102657272_100000184570 [1,0,0,0,0,0|1,0,0]=2 320 B6R0.1 CNC(=O)CSC 527a_100102657272_100000184570 [1,0,0,0,0,0|1,0,0]=2 321 B6R0.1 CNC(=O)CSC 62a_100000183359_200000210301 [1,0,0,0,0,0|1,0,0]=2 322 B6R0.1 CNC(=O)CSC 62a_200000210301_100000183359 [1,0,0,0,0,0|1,0,0]=2 323 B6R0.1 CNC(=O)CS[13CH3] 62a_100000183359_200025704644 [1,0,0,0,0,0|1,0,0]=2 324 B6R0.1 CNC(=O)CS[13CH3] 62a_200025704644_100000183359 [1,0,0,0,0,0|1,0,0]=2 325 B6R0.1 CNC(C)CSC 270004a_106832991635_100011216314 [1,0,0,0,0,0|2,0,1]=4 326 B6R0.1 CNCC(=O)NC 2230a_100000693194_200000210301 [1,0,0,0,0,0|2,0,0]=3 327 B6R0.1 CNCC(=O)NC 2230a_106832991635_100000183359 [1,0,0,0,0,0|2,0,0]=3 328 B6R0.1 CNCC(=O)NC 34a_100102657272_100000183359 [1,0,0,0,0,0|2,0,0]=3 329 B6R0.1 CNCC(=O)NC 7a_106832991635_100000183359 [1,0,0,0,0,0|2,0,0]=3 330 B6R0.1 CNCC(=O)OC 2230a_106832991635_100000747449 [1,0,0,0,0,0|1,0,0]=2 331 B6R0.1 CNCC(=O)OC 34a_100102657272_100000747449 [1,0,0,0,0,0|1,0,0]=2 332 B6R0.1 CNCC(=O)OC 7a_106832991635_100000747449 [1,0,0,0,0,0|1,0,0]=2 333 B6R0.1 CNC[C@@H](C)OC 2230a_100020591295_200000210301 [1,0,0,0,0,0|2,0,1]=4 334 B6R0.1 CNNC(=O)CO 22a_100016993582_100000210174 [1,0,0,0,0,0|2,1,0]=4 335 B6R0.1 CNNC(=O)NC 273464a_100102657272_100016993582 [1,0,0,0,0,0|3,0,0]=4 336 B6R0.1 CNNC(=O)NC 512a_100016993582_100102657272 [1,0,0,0,0,0|3,0,0]=4 337 B6R0.1 CNNC(=O)NC 512a_106832991638_100016993582 [1,0,0,0,0,0|3,0,0]=4 338 B6R0.1 COC(=O)CSC 62a_100000747449_200000210301 [1,0,0,0,0,0|0,0,0]=1 339 B6R0.1 COC(=O)CSC 62a_200000210301_100000747449 [1,0,0,0,0,0|0,0,0]=1 340 B6R0.1 COC(=O)CS[13CH3] 62a_100000747449_200025704644 [1,0,0,0,0,0|0,0,0]=1 341 B6R0.1 COC(=O)CS[13CH3] 62a_200025704644_100000747449 [1,0,0,0,0,0|0,0,0]=1 342 B6R0.1 COC(C)CO[13CH3] 34a_100000690652_200025704644 [1,0,0,0,0,0|1,1,1]=4 343 B6R0.1 COCC(=O)CF 1458a_100000210968_100015361967 [1,0,0,0,0,0|1,1,0]=3 344 B6R0.1 COCC(=O)OC 34a_100138415774_100000747449 [1,0,0,0,0,0|0,1,0]=2 345 B6R0.1 COCC(C)OC 34a_100000690652_200000210301 [1,0,0,0,0,0|1,1,1]=4 346 B6R0.1 COCC(C)OC 34a_100138415774_100000765312 [1,0,0,0,0,0|1,1,1]=4 347 B6R0.1 COC[C@@H](C)OC 34a_100011934205_200000210301 [1,0,0,0,0,0|1,1,1]=4 348 B6R0.1 COC[C@@H](C)O[13CH3] 34a_100011934205_200025704644 [1,0,0,0,0,0|1,1,1]=4 349 B6R0.1 CO[C@H](C)CN[13CH3] 2230a_100020591295_200025704644 [1,0,0,0,0,0|2,0,1]=4 350 B6R0.1 CSCC(=O)CF 1458a_100000184570_100015361967 [1,0,0,0,0,0|1,0,0]=2 351 B6R0.1 CSCC(O)CO 62a_100011219619_200000210301 [1,0,0,0,0,0|1,0,2]=4 352 B6R0.1 CSCC(O)CO 62a_200000210301_100011219619 [1,0,0,0,0,0|1,0,2]=4 353 B6R0.1 CSC[C@@H](C)CO 62a_100000059175_200000210301 [1,0,0,0,0,0|2,0,1]=4 354 B6R0.1 CSC[C@@H](C)CO 62a_200000210301_100000059175 [1,0,0,0,0,0|2,0,1]=4 355 B6R0.1 CSC[C@@H](O)CF 62a_100015614560_200000210301 [1,0,0,0,0,0|1,0,2]=4 356 B6R0.1 CSC[C@@H](O)CF 62a_200000210301_100015614560 [1,0,0,0,0,0|1,0,2]=4 357 B6R0.1 CSC[C@@H](O)CO 62a_100009815848_200000210301 [1,0,0,0,0,0|1,0,2]=4 358 B6R0.1 CSC[C@@H](O)CO 62a_200000210301_100009815848 [1,0,0,0,0,0|1,0,2]=4 359 B6R0.1 C[C@@H](CO)CS[13CH3] 62a_100000059175_200025704644 [1,0,0,0,0,0|2,0,1]=4 360 B6R0.1 C[C@@H](CO)CS[13CH3] 62a_200025704644_100000059175 [1,0,0,0,0,0|2,0,1]=4 361 B6R0.1 N#CCC(=O)CF 1458a_100051588842_100015361967 [1,0,0,0,0,0|3,0,0]=4 362 B6R0.1 N#CCC(=O)CO 1458a_100000210174_100011214920 [1,0,0,0,0,0|3,0,0]=4 363 B6R0.1 O=C(CF)CCO 1458a_100011216618_100015361967 [1,0,0,0,0,0|3,0,0]=4 364 B6R0.1 O=C(CO)CCF 1458a_100000210174_100011217306 [1,0,0,0,0,0|2,1,0]=4 365 B6R0.1 O=C(CO)CCO 1458a_100000210174_100000211926 [1,0,0,0,0,0|2,1,0]=4 366 B6R0.1 [13CH3]SCC(O)CO 62a_100011219619_200025704644 [1,0,0,0,0,0|1,0,2]=4 367 B6R0.1 [13CH3]SCC(O)CO 62a_200025704644_100011219619 [1,0,0,0,0,0|1,0,2]=4 368 B6R0.1 [13CH3]SC[C@@H](O)CF 62a_100015614560_200025704644 [1,0,0,0,0,0|1,0,2]=4 369 B6R0.1 [13CH3]SC[C@@H](O)CF 62a_200025704644_100015614560 [1,0,0,0,0,0|1,0,2]=4 370 B6R0.1 [13CH3]SC[C@@H](O)CO 62a_100009815848_200025704644 [1,0,0,0,0,0|1,0,2]=4 371 B6R0.1 [13CH3]SC[C@@H](O)CO 62a_200025704644_100009815848 [1,0,0,0,0,0|1,0,2]=4 372 B6R0.6 C#CCCOCC 34a_100011215631_100000210202 [1,0,0,0,0,0|1,0,2]=4 373 B6R0.6 C#CCCOCC 34a_100121572206_100000688953 [1,0,0,0,0,0|1,0,2]=4 374 B6R0.6 C/C=C/COCC 34a_100016270725_100000210202 [1,0,0,0,0,0|1,0,2]=4 375 B6R0.6 C/C=C/COCC 34a_100121572206_100102629194 [1,0,0,0,0,0|1,0,2]=4 376 B6R0.6 C=CCCOCC 34a_100011205117_100000210202 [1,0,0,0,0,0|1,0,2]=4 377 B6R0.6 C=CCCOCC 34a_100121572206_100000754431 [1,0,0,0,0,0|1,0,2]=4 378 B6R0.6 C=COCCSC 62a_100000039644_200000210301 [1,0,0,0,0,0|0,0,3]=4 379 B6R0.6 C=COCCSC 62a_200000210301_100000039644 [1,0,0,0,0,0|0,0,3]=4 380 B6R0.6 C=COCCS[13CH3] 62a_100000039644_200025704644 [1,0,0,0,0,0|0,0,3]=4 381 B6R0.6 C=COCCS[13CH3] 62a_200025704644_100000039644 [1,0,0,0,0,0|0,0,3]=4 382 B6R0.6 CC#CCOCC 34a_100000761923_100000210202 [1,0,0,0,0,0|1,0,2]=4 383 B6R0.6 CC#CCOCC 34a_100121572206_100000748600 [1,0,0,0,0,0|1,0,2]=4 384 B6R0.6 CC/C=C\CNC 2230a_106832991635_100103147603 [1,0,0,0,0,0|2,0,0]=3 385 B6R0.6 CC/C=C\CNC 34a_100102657272_100103147603 [1,0,0,0,0,0|2,0,0]=3 386 B6R0.6 CC/C=C\CNC 7a_106832991635_100103147603 [1,0,0,0,0,0|2,0,0]=3 387 B6R0.6 CC/C=C\COC 34a_100016268518_200000210301 [1,0,0,0,0,0|1,1,0]=3 388 B6R0.6 CC/C=C\COC 34a_100138415774_100103147603 [1,0,0,0,0,0|1,1,0]=3 389 B6R0.6 CC/C=C\CO[13CH3] 34a_100016268518_200025704644 [1,0,0,0,0,0|1,1,0]=3 390 B6R0.6 CC/C=C\CSC 62a_100103147603_200000210301 [1,0,0,0,0,0|1,0,0]=2 391 B6R0.6 CC/C=C\CSC 62a_200000210301_100103147603 [1,0,0,0,0,0|1,0,0]=2 392 B6R0.6 CC/C=C\CS[13CH3] 62a_100103147603_200025704644 [1,0,0,0,0,0|1,0,0]=2 393 B6R0.6 CC/C=C\CS[13CH3] 62a_200025704644_100103147603 [1,0,0,0,0,0|1,0,0]=2 394 B6R0.6 CC=CCOCC 34a_100121572206_100000070051 [1,0,0,0,0,0|1,0,2]=4 395 B6R0.6 CCC#CCNC 2230a_106832991635_100009813939 [1,0,0,0,0,0|2,0,1]=4 396 B6R0.6 CCC#CCNC 34a_100102657272_100009813939 [1,0,0,0,0,0|2,0,1]=4 397 B6R0.6 CCC#CCNC 7a_106832991635_100009813939 [1,0,0,0,0,0|2,0,1]=4 398 B6R0.6 CCC#CCOC 34a_100000032950_200000210301 [1,0,0,0,0,0|1,1,1]=4 399 B6R0.6 CCC#CCOC 34a_100138415774_100009813939 [1,0,0,0,0,0|1,1,1]=4 400 B6R0.6 CCC#CCO[13CH3] 34a_100000032950_200025704644 [1,0,0,0,0,0|1,1,1]=4 401 B6R0.6 CCC#CCSC 62a_100009813939_200000210301 [1,0,0,0,0,0|1,0,1]=3 402 B6R0.6 CCC#CCSC 62a_200000210301_100009813939 [1,0,0,0,0,0|1,0,1]=3 403 B6R0.6 CCC#CCS[13CH3] 62a_100009813939_200025704644 [1,0,0,0,0,0|1,0,1]=3 404 B6R0.6 CCC#CCS[13CH3] 62a_200025704644_100009813939 [1,0,0,0,0,0|1,0,1]=3 405 B6R0.6 CCCCCNC 2230a_100000209983_200000210301 [1,0,0,0,0,0|2,0,1]=4 406 B6R0.6 CCCCCNC 2230a_106832991635_100000210326 [1,0,0,0,0,0|2,0,1]=4 407 B6R0.6 CCCCCNC 34a_100102657272_100000718602 [1,0,0,0,0,0|2,0,1]=4 408 B6R0.6 CCCCCNC 7a_106832991635_100000210326 [1,0,0,0,0,0|2,0,1]=4 409 B6R0.6 CCCCCN[13CH3] 2230a_100000209983_200025704644 [1,0,0,0,0,0|2,0,1]=4 410 B6R0.6 CCCCCOC 34a_100000210253_200000210301 [1,0,0,0,0,0|1,1,1]=4 411 B6R0.6 CCCCCOC 34a_100138415774_100000718602 [1,0,0,0,0,0|1,1,1]=4 412 B6R0.6 CCCCCOC 7a_100000210253_200000210301 [1,0,0,0,0,0|1,1,1]=4 413 B6R0.6 CCCCCO[13CH3] 34a_100000210253_200025704644 [1,0,0,0,0,0|1,1,1]=4 414 B6R0.6 CCCCCO[13CH3] 7a_100000210253_200025704644 [1,0,0,0,0,0|1,1,1]=4 415 B6R0.6 CCCCCSC 62a_100000210326_200000210301 [1,0,0,0,0,0|1,0,1]=3 416 B6R0.6 CCCCCSC 62a_200000210301_100000210326 [1,0,0,0,0,0|1,0,1]=3 417 B6R0.6 CCCCCS[13CH3] 62a_100000210326_200025704644 [1,0,0,0,0,0|1,0,1]=3 418 B6R0.6 CCCCCS[13CH3] 62a_200025704644_100000210326 [1,0,0,0,0,0|1,0,1]=3 419 B6R0.6 CCCCNCC 2230a_100000102301_100000210202 [1,0,0,0,0,0|2,0,1]=4 420 B6R0.6 CCCCNCC 2230a_100015525214_100000210211 [1,0,0,0,0,0|2,0,1]=4 421 B6R0.6 CCCCNCC 7a_106832991798_100000210202 [1,0,0,0,0,0|2,0,1]=4 422 B6R0.6 CCCCOCC 34a_100000210227_100000210202 [1,0,0,0,0,0|1,0,1]=3 423 B6R0.6 CCCCOCC 34a_100121572206_100000210210 [1,0,0,0,0,0|1,0,1]=3 424 B6R0.6 CCCCOCC 7a_100000210227_100000210202 [1,0,0,0,0,0|1,0,1]=3 425 B6R0.6 CCCCOCF 34a_100000210227_100015361967 [1,0,0,0,0,0|2,0,1]=4 426 B6R0.6 CCCCOCF 7a_100000210227_100015361967 [1,0,0,0,0,0|2,0,1]=4 427 B6R0.6 CCCCSCC 62a_100000210202_100000210210 [1,0,0,0,0,0|1,1,1]=4 428 B6R0.6 CCCCSCC 62a_100000210211_100000210202 [1,0,0,0,0,0|1,1,1]=4 429 B6R0.6 CCCOCCC 34a_100000210258_100000210303 [1,0,0,0,0,0|3,0,0]=4 430 B6R0.6 CCCOCSC 34a_100000210258_100011218213 [1,0,0,0,0,0|2,0,0]=3 431 B6R0.6 CCCSCCC 62a_100000210303_100000210303 [1,0,0,0,0,0|3,0,0]=4 432 B6R0.6 CCCSCOC 62a_100000210303_100000766300 [1,0,0,0,0,0|2,1,0]=4 433 B6R0.6 CCCSCOC 62a_100000766300_100000210303 [1,0,0,0,0,0|2,1,0]=4 434 B6R0.6 CCCSCSC 62a_100000210303_100011218213 [1,0,0,0,0,0|2,0,0]=3 435 B6R0.6 CCCSCSC 62a_100011218213_100000210303 [1,0,0,0,0,0|2,0,0]=3 436 B6R0.6 CCNCCOC 2230a_100000209980_100000210202 [1,0,0,0,0,0|1,1,1]=4 437 B6R0.6 CCNCCOC 2230a_100015525214_100011201679 [1,0,0,0,0,0|1,1,1]=4 438 B6R0.6 CCNCCSC 2230a_100015525214_100000751147 [1,0,0,0,0,0|1,0,1]=3 439 B6R0.6 CCNCCSC 2230a_100020590264_100000210202 [1,0,0,0,0,0|1,0,1]=3 440 B6R0.6 CCOCCCBr 34a_100011217188_100000210202 [1,0,0,0,0,0|2,0,1]=4 441 B6R0.6 CCOCCCCl 34a_100000230001_100000210202 [1,0,0,0,0,0|2,0,1]=4 442 B6R0.6 CCOCCCF 34a_100000759539_100000210202 [1,0,0,0,0,0|2,0,1]=4 443 B6R0.6 CCOCCCF 34a_100121572206_100011934791 [1,0,0,0,0,0|2,0,1]=4 444 B6R0.6 CCOCCCN 34a_100000182051_100000210202 [1,0,0,0,0,0|2,0,1]=4 445 B6R0.6 CCOCCCO 34a_100121572206_100000230001 [1,0,0,0,0,0|2,0,1]=4 446 B6R0.6 CCOCCNC 2230a_102516460346_200000210301 [1,0,0,0,0,0|1,0,1]=3 447 B6R0.6 CCOCCNC 2230a_106832991635_100011215890 [1,0,0,0,0,0|1,0,1]=3 448 B6R0.6 CCOCCNC 34a_100102657272_100000210147 [1,0,0,0,0,0|1,0,1]=3 449 B6R0.6 CCOCCNC 34a_102516460346_200000210301 [1,0,0,0,0,0|1,0,1]=3 450 B6R0.6 CCOCCNC 7a_106832991635_100011215890 [1,0,0,0,0,0|1,0,1]=3 451 B6R0.6 CCOCCN[13CH3] 2230a_102516460346_200025704644 [1,0,0,0,0,0|1,0,1]=3 452 B6R0.6 CCOCCN[13CH3] 34a_102516460346_200025704644 [1,0,0,0,0,0|1,0,1]=3 453 B6R0.6 CCOCCOC 34a_100000210136_200000210301 [1,0,0,0,0,0|0,1,1]=3 454 B6R0.6 CCOCCOC 34a_100000210237_100000210202 [1,0,0,0,0,0|0,1,1]=3 455 B6R0.6 CCOCCOC 34a_100121572206_100011201679 [1,0,0,0,0,0|0,1,1]=3 456 B6R0.6 CCOCCOC 34a_100138415774_100000210147 [1,0,0,0,0,0|0,1,1]=3 457 B6R0.6 CCOCCOC 7a_100000210136_200000210301 [1,0,0,0,0,0|0,1,1]=3 458 B6R0.6 CCOCCON 34a_100000700252_100000210202 [1,0,0,0,0,0|1,1,1]=4 459 B6R0.6 CCOCCO[13CH3] 34a_100000210136_200025704644 [1,0,0,0,0,0|0,1,1]=3 460 B6R0.6 CCOCCO[13CH3] 7a_100000210136_200025704644 [1,0,0,0,0,0|0,1,1]=3 461 B6R0.6 CCOCCSC 34a_100000230434_100000210202 [1,0,0,0,0,0|0,0,1]=2 462 B6R0.6 CCOCCSC 34a_100121572206_100000212216 [1,0,0,0,0,0|0,0,1]=2 463 B6R0.6 CCOCCSC 62a_100000210147_200000210301 [1,0,0,0,0,0|0,0,1]=2 464 B6R0.6 CCOCCSC 62a_200000210301_100011215890 [1,0,0,0,0,0|0,0,1]=2 465 B6R0.6 CCOCCSC 7a_100000230434_100000210202 [1,0,0,0,0,0|0,0,1]=2 466 B6R0.6 CCOCCS[13CH3] 62a_100000210147_200025704644 [1,0,0,0,0,0|0,0,1]=2 467 B6R0.6 CCOCCS[13CH3] 62a_200025704644_100011215890 [1,0,0,0,0,0|0,0,1]=2 468 B6R0.6 CCOCSCC 62a_100000210202_100000739092 [1,0,0,0,0,0|2,0,1]=4 469 B6R0.6 CCOCSCC 62a_100000739092_100000210202 [1,0,0,0,0,0|2,0,1]=4 470 B6R0.6 CCSCCNC 2230a_100000106463_200000210301 [1,0,0,0,0,0|1,1,1]=4 471 B6R0.6 CCSCCNC 2230a_106832991635_100000757381 [1,0,0,0,0,0|1,1,1]=4 472 B6R0.6 CCSCCNC 34a_100102657272_100000757381 [1,0,0,0,0,0|1,1,1]=4 473 B6R0.6 CCSCCNC 7a_106832991635_100000757381 [1,0,0,0,0,0|1,1,1]=4 474 B6R0.6 CCSCCN[13CH3] 2230a_100000106463_200025704644 [1,0,0,0,0,0|1,1,1]=4 475 B6R0.6 CCSCCOC 34a_100000212035_200000210301 [1,0,0,0,0,0|0,2,1]=4 476 B6R0.6 CCSCCOC 34a_100138415774_100000757381 [1,0,0,0,0,0|0,2,1]=4 477 B6R0.6 CCSCCOC 62a_100000210202_100000233755 [1,0,0,0,0,0|0,2,1]=4 478 B6R0.6 CCSCCOC 62a_100000233755_100000210202 [1,0,0,0,0,0|0,2,1]=4 479 B6R0.6 CCSCCOC 7a_100000212035_200000210301 [1,0,0,0,0,0|0,2,1]=4 480 B6R0.6 CCSCCO[13CH3] 34a_100000212035_200025704644 [1,0,0,0,0,0|0,2,1]=4 481 B6R0.6 CCSCCO[13CH3] 7a_100000212035_200025704644 [1,0,0,0,0,0|0,2,1]=4 482 B6R0.6 CCSCCSC 62a_100000210202_100000751147 [1,0,0,0,0,0|0,1,1]=3 483 B6R0.6 CCSCCSC 62a_100000212216_100000210202 [1,0,0,0,0,0|0,1,1]=3 484 B6R0.6 CCSCCSC 62a_100000757381_200000210301 [1,0,0,0,0,0|0,1,1]=3 485 B6R0.6 CCSCCSC 62a_200000210301_100000757381 [1,0,0,0,0,0|0,1,1]=3 486 B6R0.6 CCSCCS[13CH3] 62a_100000757381_200025704644 [1,0,0,0,0,0|0,1,1]=3 487 B6R0.6 CCSCCS[13CH3] 62a_200025704644_100000757381 [1,0,0,0,0,0|0,1,1]=3 488 B6R0.6 CNCCCSC 2230a_100000749238_200000210301 [1,0,0,0,0,0|2,0,1]=4 489 B6R0.6 COCCCSC 34a_100000690336_200000210301 [1,0,0,0,0,0|2,0,1]=4 490 B6R0.6 COCCCSC 62a_100000709357_200000210301 [1,0,0,0,0,0|2,0,1]=4 491 B6R0.6 COCCCSC 62a_200000210301_100000709357 [1,0,0,0,0,0|2,0,1]=4 492 B6R0.6 COCCCSC 7a_100000690336_200000210301 [1,0,0,0,0,0|2,0,1]=4 493 B6R0.6 COCCCS[13CH3] 62a_100000709357_200025704644 [1,0,0,0,0,0|2,0,1]=4 494 B6R0.6 COCCCS[13CH3] 62a_200025704644_100000709357 [1,0,0,0,0,0|2,0,1]=4 495 B6R0.6 COCCOCF 34a_100000210237_100015361967 [1,0,0,0,0,0|1,1,1]=4 496 B6R0.6 COCSCSC 62a_100000766300_100011218213 [1,0,0,0,0,0|3,0,0]=4 497 B6R0.6 COCSCSC 62a_100011218213_100000766300 [1,0,0,0,0,0|3,0,0]=4 498 B6R0.6 CSCC#CCO 62a_200000047223_200000210301 [1,0,0,0,0,0|2,0,1]=4 499 B6R0.6 CSCC#CCO 62a_200000210301_200000047223 [1,0,0,0,0,0|2,0,1]=4 500 B6R0.6 CSCCCCF 62a_100000729493_200000210301 [1,0,0,0,0,0|2,0,1]=4 501 B6R0.6 CSCCCCF 62a_200000210301_100000729493 [1,0,0,0,0,0|2,0,1]=4 502 B6R0.6 CSCCCCO 62a_100000210776_200000210301 [1,0,0,0,0,0|2,0,1]=4 503 B6R0.6 CSCCCCO 62a_200000210301_100000210776 [1,0,0,0,0,0|2,0,1]=4 504 B6R0.6 CSCCCN[13CH3] 2230a_100000749238_200025704644 [1,0,0,0,0,0|2,0,1]=4 505 B6R0.6 CSCCCO[13CH3] 34a_100000690336_200025704644 [1,0,0,0,0,0|2,0,1]=4 506 B6R0.6 CSCCCO[13CH3] 7a_100000690336_200025704644 [1,0,0,0,0,0|2,0,1]=4 507 B6R0.6 CSCCOCF 34a_100000230434_100015361967 [1,0,0,0,0,0|1,0,1]=3 508 B6R0.6 CSCCOCF 7a_100000230434_100015361967 [1,0,0,0,0,0|1,0,1]=3 509 B6R0.6 CSCCSCF 62a_100000212216_100015361967 [1,0,0,0,0,0|1,1,1]=4 510 B6R0.6 CSCCSCF 62a_100015361967_100000751147 [1,0,0,0,0,0|1,1,1]=4 511 B6R0.6 CSCNCCF 34a_100000724931_100011218213 [1,0,0,0,0,0|3,0,0]=4 512 B6R0.6 CSCNCCO 2230a_100016997473_100011218213 [1,0,0,0,0,0|3,0,0]=4 513 B6R0.6 CSCNCCO 34a_100016990907_100011218213 [1,0,0,0,0,0|3,0,0]=4 514 B6R0.6 CSCOCCBr 34a_100000211926_100011218213 [1,0,0,0,0,0|3,0,0]=4 515 B6R0.6 CSCOCCN 34a_100000210304_100011218213 [1,0,0,0,0,0|3,0,0]=4 516 B6R0.6 CSCSCCF 62a_100011217306_100011218213 [1,0,0,0,0,0|3,0,0]=4 517 B6R0.6 CSCSCCF 62a_100011218213_100011217306 [1,0,0,0,0,0|3,0,0]=4 518 B6R0.6 CSCSCCO 62a_100000211926_100011218213 [1,0,0,0,0,0|3,0,0]=4 519 B6R0.6 CSCSCCO 62a_100011218213_100000211926 [1,0,0,0,0,0|3,0,0]=4 520 B6R0.6 CSCSCSC 62a_100011218213_100011218213 [1,0,0,0,0,0|3,0,0]=4 521 B6R0.6 [13CH3]SCC#CCO 62a_200000047223_200025704644 [1,0,0,0,0,0|2,0,1]=4 522 B6R0.6 [13CH3]SCC#CCO 62a_200025704644_200000047223 [1,0,0,0,0,0|2,0,1]=4 523 B6R0.6 [13CH3]SCCCCF 62a_100000729493_200025704644 [1,0,0,0,0,0|2,0,1]=4 524 B6R0.6 [13CH3]SCCCCF 62a_200025704644_100000729493 [1,0,0,0,0,0|2,0,1]=4 525 B6R0.6 [13CH3]SCCCCO 62a_100000210776_200025704644 [1,0,0,0,0,0|2,0,1]=4 526 B6R0.6 [13CH3]SCCCCO 62a_200025704644_100000210776 [1,0,0,0,0,0|2,0,1]=4 527 B8R0.1 C#CCC(=O)C#CCC 1458a_100011827653_100000184674 [0,1,0,0,0,0|2,0,1]=4 528 B8R0.1 C#CCC(=O)C=CCC 1458a_100000212282_100000184674 [0,1,0,0,0,0|2,0,1]=4 529 B8R0.1 C#CCC(=O)CCCC 1458a_100000210183_100000184674 [0,1,0,0,0,0|2,0,1]=4 530 B8R0.1 C#CCC(=O)CCCC 1458a_100011220946_100000210211 [0,1,0,0,0,0|2,0,1]=4 531 B8R0.1 C#CCC(=O)CCCF 1458a_100011220946_100011934791 [0,1,0,0,0,0|2,0,1]=4 532 B8R0.1 C#CCC(=O)CCCO 1458a_100011220946_100011215043 [0,1,0,0,0,0|2,0,1]=4 533 B8R0.1 C#CCC(=O)CCOC 1458a_100000749529_100000184674 [0,1,0,0,0,0|2,0,1]=4 534 B8R0.1 C#CCC(=O)CCOC 1458a_100011220946_100000233755 [0,1,0,0,0,0|2,0,1]=4 535 B8R0.1 C#CCC(=O)CCSC 1458a_100000174002_100000184674 [0,1,0,0,0,0|1,0,2]=4 536 B8R0.1 C#CCC(=O)CCSC 1458a_100011220946_100000751147 [0,1,0,0,0,0|1,0,2]=4 537 B8R0.1 C#CCC(=O)COCC 1458a_100000211967_100000184674 [0,1,0,0,0,0|1,0,1]=3 538 B8R0.1 C#CCC(=O)CSCC 1458a_100000230394_100000184674 [0,1,0,0,0,0|1,0,2]=4 539 B8R0.1 C#CCC(=O)NCCC 1626a_100020643023_100011220946 [0,1,0,0,0,0|2,0,1]=4 540 B8R0.1 C#CCC(=O)NCCC 527a_100020643023_100011220946 [0,1,0,0,0,0|2,0,1]=4 541 B8R0.1 C#CCC(=O)NCCF 1626a_100000724931_100011220946 [0,1,0,0,0,0|2,0,1]=4 542 B8R0.1 C#CCC(=O)NCCF 527a_100000724931_100011220946 [0,1,0,0,0,0|2,0,1]=4 543 B8R0.1 C#CCC(=O)NCCO 527a_100000210304_100011220946 [0,1,0,0,0,0|2,0,1]=4 544 B8R0.1 C#CCCC(=O)CCC 1458a_100000211992_100000753159 [0,1,0,0,0,0|2,0,1]=4 545 B8R0.1 C#CCCC(=O)CCC 1458a_100000692101_100000210303 [0,1,0,0,0,0|2,0,1]=4 546 B8R0.1 C#CCCC(=O)COC 1458a_100000210968_100000753159 [0,1,0,0,0,0|1,1,1]=4 547 B8R0.1 C#CCCC(=O)CSC 1458a_100000184570_100000753159 [0,1,0,0,0,0|1,0,1]=3 548 B8R0.1 C#CCCC(=O)NCC 11a_100015525214_100000692101 [0,1,0,0,0,0|2,0,1]=4 549 B8R0.1 C#CCCC(=O)NCC 240690a_100015525214_100000692101 [0,1,0,0,0,0|2,0,1]=4 550 B8R0.1 C#CCCC(=O)NCC 527a_100015525214_100000692101 [0,1,0,0,0,0|2,0,1]=4 551 B8R0.1 C#CCNC(=O)CCC 11a_100000212058_100000211992 [0,1,0,0,0,0|2,0,1]=4 552 B8R0.1 C#CCNC(=O)CCC 1626a_100000212058_100000211992 [0,1,0,0,0,0|2,0,1]=4 553 B8R0.1 C#CCNC(=O)CCC 240690a_100000212058_100000211992 [0,1,0,0,0,0|2,0,1]=4 554 B8R0.1 C#CCNC(=O)CCC 527a_100000212058_100000211992 [0,1,0,0,0,0|2,0,1]=4 555 B8R0.1 C#CCNC(=O)CNC 2230a_100000747989_200000210301 [0,1,0,0,0,0|2,0,1]=4 556 B8R0.1 C#CCNC(=O)CNC 34a_100000747989_200000210301 [0,1,0,0,0,0|2,0,1]=4 557 B8R0.1 C#CCNC(=O)CN[13CH3] 2230a_100000747989_200025704644 [0,1,0,0,0,0|2,0,1]=4 558 B8R0.1 C#CCNC(=O)CN[13CH3] 34a_100000747989_200025704644 [0,1,0,0,0,0|2,0,1]=4 559 B8R0.1 C#CCNC(=O)COC 11a_100000212058_100000210968 [0,1,0,0,0,0|1,1,1]=4 560 B8R0.1 C#CCNC(=O)COC 1626a_100000212058_100000210968 [0,1,0,0,0,0|1,1,1]=4 561 B8R0.1 C#CCNC(=O)COC 240690a_100000212058_100000210968 [0,1,0,0,0,0|1,1,1]=4 562 B8R0.1 C#CCNC(=O)COC 527a_100000212058_100000210968 [0,1,0,0,0,0|1,1,1]=4 563 B8R0.1 C#CCNC(=O)CSC 11a_100000212058_100000184570 [0,1,0,0,0,0|1,0,1]=3 564 B8R0.1 C#CCNC(=O)CSC 1626a_100000212058_100000184570 [0,1,0,0,0,0|1,0,1]=3 565 B8R0.1 C#CCNC(=O)CSC 240690a_100000212058_100000184570 [0,1,0,0,0,0|1,0,1]=3 566 B8R0.1 C#CCNC(=O)CSC 527a_100000212058_100000184570 [0,1,0,0,0,0|1,0,1]=3 567 B8R0.1 C#CCNC(=O)NCC 2708a_100000212058_100015525214 [0,1,0,0,0,0|2,0,1]=4 568 B8R0.1 C#CCNC(=O)NCC 2708a_100015525214_100000212058 [0,1,0,0,0,0|2,0,1]=4 569 B8R0.1 C#CCNC(=O)NCC 273464a_100000212058_100015525214 [0,1,0,0,0,0|2,0,1]=4 570 B8R0.1 C#CCNC(=O)NCC 273464a_100015525214_100000212058 [0,1,0,0,0,0|2,0,1]=4 571 B8R0.1 C#CCNC(=O)NCC 512a_100000212058_100015525214 [0,1,0,0,0,0|2,0,1]=4 572 B8R0.1 C#CCNC(=O)NCC 512a_100015525214_100000212058 [0,1,0,0,0,0|2,0,1]=4 573 B8R0.1 C/C=C/CC(=O)CCC 1458a_100000211992_100102629194 [0,1,0,0,0,0|2,0,0]=3 574 B8R0.1 C/C=C/CC(=O)CCO 1458a_100011216618_100102629194 [0,1,0,0,0,0|3,0,0]=4 575 B8R0.1 C/C=C/CC(=O)COC 1458a_100000210968_100102629194 [0,1,0,0,0,0|1,1,1]=4 576 B8R0.1 C/C=C/CC(=O)CSC 1458a_100000184570_100102629194 [0,1,0,0,0,0|1,0,1]=3 577 B8R0.1 C=C(CNC)OCOC 34a_100102657272_100000042856 [0,1,0,0,0,0|2,0,0]=3 578 B8R0.1 C=C(COC)OCOC 34a_100138415774_100000042856 [0,1,0,0,0,0|1,1,0]=3 579 B8R0.1 C=C(CSC)OCOC 62a_100000042856_200000210301 [0,1,0,0,0,0|1,0,0]=2 580 B8R0.1 C=C(CSC)OCOC 62a_200000210301_100000042856 [0,1,0,0,0,0|1,0,0]=2 581 B8R0.1 C=C(CS[13CH3])OCOC 62a_100000042856_200025704644 [0,1,0,0,0,0|1,0,0]=2 582 B8R0.1 C=C(CS[13CH3])OCOC 62a_200025704644_100000042856 [0,1,0,0,0,0|1,0,0]=2 583 B8R0.1 C=CCC(=O)C#CCC 1458a_100011827653_100000210623 [0,1,0,0,0,0|2,0,1]=4 584 B8R0.1 C=CCC(=O)C=CCC 1458a_100000212282_100000210623 [0,1,0,0,0,0|2,0,1]=4 585 B8R0.1 C=CCC(=O)CCCC 1458a_100000210183_100000210623 [0,1,0,0,0,0|2,0,1]=4 586 B8R0.1 C=CCC(=O)CCCC 1458a_100000210193_100000210211 [0,1,0,0,0,0|2,0,1]=4 587 B8R0.1 C=CCC(=O)CCCF 1458a_100000210193_100011934791 [0,1,0,0,0,0|2,0,1]=4 588 B8R0.1 C=CCC(=O)CCCO 1458a_100000210193_100011215043 [0,1,0,0,0,0|2,0,1]=4 589 B8R0.1 C=CCC(=O)CCOC 1458a_100000210193_100000233755 [0,1,0,0,0,0|2,0,1]=4 590 B8R0.1 C=CCC(=O)CCOC 1458a_100000749529_100000210623 [0,1,0,0,0,0|2,0,1]=4 591 B8R0.1 C=CCC(=O)CCSC 1458a_100000174002_100000210623 [0,1,0,0,0,0|1,0,2]=4 592 B8R0.1 C=CCC(=O)CCSC 1458a_100000210193_100000751147 [0,1,0,0,0,0|1,0,2]=4 593 B8R0.1 C=CCC(=O)COCC 1458a_100000211967_100000210623 [0,1,0,0,0,0|1,0,1]=3 594 B8R0.1 C=CCC(=O)CSCC 1458a_100000230394_100000210623 [0,1,0,0,0,0|1,0,2]=4 595 B8R0.1 C=CCC(=O)NCCC 11a_100020643023_100000210193 [0,1,0,0,0,0|2,0,1]=4 596 B8R0.1 C=CCC(=O)NCCC 1626a_100020643023_100000210193 [0,1,0,0,0,0|2,0,1]=4 597 B8R0.1 C=CCC(=O)NCCC 240690a_100020643023_100000210193 [0,1,0,0,0,0|2,0,1]=4 598 B8R0.1 C=CCC(=O)NCCC 527a_100020643023_100000210193 [0,1,0,0,0,0|2,0,1]=4 599 B8R0.1 C=CCC(=O)NCCF 11a_100000724931_100000210193 [0,1,0,0,0,0|2,0,1]=4 600 B8R0.1 C=CCC(=O)NCCF 1626a_100000724931_100000210193 [0,1,0,0,0,0|2,0,1]=4 601 B8R0.1 C=CCC(=O)NCCF 240690a_100000724931_100000210193 [0,1,0,0,0,0|2,0,1]=4 602 B8R0.1 C=CCC(=O)NCCF 527a_100000724931_100000210193 [0,1,0,0,0,0|2,0,1]=4 603 B8R0.1 C=CCC(=O)NCCO 240690a_100000210304_100000210193 [0,1,0,0,0,0|2,0,1]=4 604 B8R0.1 C=CCC(=O)NCCO 527a_100000210304_100000210193 [0,1,0,0,0,0|2,0,1]=4 605 B8R0.1 C=CCC(=O)NNCC 22a_100000756455_100000210193 [0,1,0,0,0,0|2,0,1]=4 606 B8R0.1 C=CCCC(=O)CCC 1458a_100000211992_100000754431 [0,1,0,0,0,0|2,0,1]=4 607 B8R0.1 C=CCCC(=O)CCC 1458a_100000749702_100000210303 [0,1,0,0,0,0|2,0,1]=4 608 B8R0.1 C=CCCC(=O)COC 1458a_100000210968_100000754431 [0,1,0,0,0,0|1,1,1]=4 609 B8R0.1 C=CCCC(=O)CSC 1458a_100000184570_100000754431 [0,1,0,0,0,0|1,0,1]=3 610 B8R0.1 C=CCCC(=O)NCC 11a_100015525214_100000749702 [0,1,0,0,0,0|2,0,1]=4 611 B8R0.1 C=CCCC(=O)NCC 240690a_100015525214_100000749702 [0,1,0,0,0,0|2,0,1]=4 612 B8R0.1 C=CCCC(=O)NCC 527a_100015525214_100000749702 [0,1,0,0,0,0|2,0,1]=4 613 B8R0.1 C=CCNC(=O)CCC 1626a_100020586998_100000211992 [0,1,0,0,0,0|2,0,1]=4 614 B8R0.1 C=CCNC(=O)CCC 240690a_100020586998_100000211992 [0,1,0,0,0,0|2,0,1]=4 615 B8R0.1 C=CCNC(=O)CCC 527a_100020586998_100000211992 [0,1,0,0,0,0|2,0,1]=4 616 B8R0.1 C=CCNC(=O)CNC 2230a_106832991635_100000183597 [0,1,0,0,0,0|2,0,1]=4 617 B8R0.1 C=CCNC(=O)CNC 7a_106832991635_100000183597 [0,1,0,0,0,0|2,0,1]=4 618 B8R0.1 C=CCNC(=O)COC 1626a_100020586998_100000210968 [0,1,0,0,0,0|1,1,1]=4 619 B8R0.1 C=CCNC(=O)COC 240690a_100020586998_100000210968 [0,1,0,0,0,0|1,1,1]=4 620 B8R0.1 C=CCNC(=O)COC 527a_100020586998_100000210968 [0,1,0,0,0,0|1,1,1]=4 621 B8R0.1 C=CCNC(=O)CSC 1626a_100020586998_100000184570 [0,1,0,0,0,0|1,0,1]=3 622 B8R0.1 C=CCNC(=O)CSC 240690a_100020586998_100000184570 [0,1,0,0,0,0|1,0,1]=3 623 B8R0.1 C=CCNC(=O)CSC 527a_100020586998_100000184570 [0,1,0,0,0,0|1,0,1]=3 624 B8R0.1 C=CCNC(=O)CSC 62a_100000183597_200000210301 [0,1,0,0,0,0|1,0,1]=3 625 B8R0.1 C=CCNC(=O)CSC 62a_200000210301_100000183597 [0,1,0,0,0,0|1,0,1]=3 626 B8R0.1 C=CCNC(=O)CS[13CH3] 62a_100000183597_200025704644 [0,1,0,0,0,0|1,0,1]=3 627 B8R0.1 C=CCNC(=O)CS[13CH3] 62a_200025704644_100000183597 [0,1,0,0,0,0|1,0,1]=3 628 B8R0.1 C=CCNC(=O)NCC 2708a_100015525214_100020586998 [0,1,0,0,0,0|2,0,1]=4 629 B8R0.1 C=CCNC(=O)NCC 273464a_100015525214_100020586998 [0,1,0,0,0,0|2,0,1]=4 630 B8R0.1 C=CCNC(=O)NCC 273464a_100020586998_100015525214 [0,1,0,0,0,0|2,0,1]=4 631 B8R0.1 C=CCNC(=O)NCC 512a_100015525214_100020586998 [0,1,0,0,0,0|2,0,1]=4 632 B8R0.1 C=CCNC(=O)NCC 512a_100020586998_100015525214 [0,1,0,0,0,0|2,0,1]=4 633 B8R0.1 C=CCOC(=O)CNC 2230a_106832991635_100000033060 [0,1,0,0,0,0|1,0,1]=3 634 B8R0.1 C=CCOC(=O)CNC 34a_100102657272_100000033060 [0,1,0,0,0,0|1,0,1]=3 635 B8R0.1 C=CCOC(=O)CNC 7a_106832991635_100000033060 [0,1,0,0,0,0|1,0,1]=3 636 B8R0.1 C=CCOC(=O)COC 34a_100138415774_100000033060 [0,1,0,0,0,0|0,1,1]=3 637 B8R0.1 C=CCOC(=O)CSC 62a_100000033060_200000210301 [0,1,0,0,0,0|0,0,1]=2 638 B8R0.1 C=CCOC(=O)CSC 62a_200000210301_100000033060 [0,1,0,0,0,0|0,0,1]=2 639 B8R0.1 C=CCOC(=O)CS[13CH3] 62a_100000033060_200025704644 [0,1,0,0,0,0|0,0,1]=2 640 B8R0.1 C=CCOC(=O)CS[13CH3] 62a_200025704644_100000033060 [0,1,0,0,0,0|0,0,1]=2 641 B8R0.1 C=COC(=O)CNCC 2230a_100015525214_100000036128 [0,1,0,0,0,0|1,0,2]=4 642 B8R0.1 C=COC(=O)COCC 34a_100121572206_100000036128 [0,1,0,0,0,0|0,1,2]=4 643 B8R0.1 C=COC(=O)CSCC 62a_100000036128_100000210202 [0,1,0,0,0,0|0,0,2]=3 644 B8R0.1 C=COC(=O)CSCC 62a_100000210202_100000036128 [0,1,0,0,0,0|0,0,2]=3 645 B8R0.1 C=COC(=O)CSCF 62a_100000036128_100015361967 [0,1,0,0,0,0|0,0,2]=3 646 B8R0.1 C=COC(=O)CSCF 62a_100015361967_100000036128 [0,1,0,0,0,0|0,0,2]=3 647 B8R0.1 CC#CC(=O)C/C=C/C 1458a_100000763181_100102629194 [0,1,0,0,0,0|2,0,1]=4 648 B8R0.1 CC#CC(=O)CC=CC 1458a_100000763181_100000070051 [0,1,0,0,0,0|2,0,1]=4 649 B8R0.1 CC#CC(=O)CCCC 1458a_100000763181_100000210211 [0,1,0,0,0,0|2,0,1]=4 650 B8R0.1 CC#CC(=O)CCCF 1458a_100000763181_100011934791 [0,1,0,0,0,0|2,0,1]=4 651 B8R0.1 CC#CC(=O)CCCO 1458a_100000763181_100011215043 [0,1,0,0,0,0|2,0,1]=4 652 B8R0.1 CC#CC(=O)CCOC 1458a_100000763181_100000233755 [0,1,0,0,0,0|1,1,1]=4 653 B8R0.1 CC#CC(=O)CCSC 1458a_100000763181_100000751147 [0,1,0,0,0,0|1,0,1]=3 654 B8R0.1 CC#CC(=O)NNCC 22a_100000756455_100000763181 [0,1,0,0,0,0|2,0,1]=4 655 B8R0.1 CC#CCC(=O)C#CC 1458a_100000763181_100000748600 [0,1,0,0,0,0|2,0,1]=4 656 B8R0.1 CC#CCC(=O)C=CC 1458a_100000210699_100000748600 [0,1,0,0,0,0|2,0,1]=4 657 B8R0.1 CC#CCC(=O)CCC 1458a_100000211992_100000748600 [0,1,0,0,0,0|2,0,0]=3 658 B8R0.1 CC#CCC(=O)CCO 1458a_100011216618_100000748600 [0,1,0,0,0,0|3,0,0]=4 659 B8R0.1 CC#CCC(=O)COC 1458a_100000210968_100000748600 [0,1,0,0,0,0|1,1,1]=4 660 B8R0.1 CC#CCC(=O)CSC 1458a_100000184570_100000748600 [0,1,0,0,0,0|1,0,1]=3 661 B8R0.1 CC=CC(=O)C/C=C/C 1458a_100000210699_100102629194 [0,1,0,0,0,0|2,0,1]=4 662 B8R0.1 CC=CC(=O)CCCC 1458a_100000210699_100000210211 [0,1,0,0,0,0|2,0,1]=4 663 B8R0.1 CC=CC(=O)CCCF 1458a_100000210699_100011934791 [0,1,0,0,0,0|2,0,1]=4 664 B8R0.1 CC=CC(=O)CCCO 1458a_100000210699_100011215043 [0,1,0,0,0,0|2,0,1]=4 665 B8R0.1 CC=CC(=O)CCOC 1458a_100000210699_100000233755 [0,1,0,0,0,0|1,1,1]=4 666 B8R0.1 CC=CC(=O)CCSC 1458a_100000210699_100000751147 [0,1,0,0,0,0|1,0,1]=3 667 B8R0.1 CC=CC(=O)NCCC 11a_100020643023_100000210699 [0,1,0,0,0,0|2,0,1]=4 668 B8R0.1 CC=CC(=O)NCCC 1626a_100020643023_100000210699 [0,1,0,0,0,0|2,0,1]=4 669 B8R0.1 CC=CC(=O)NCCC 240690a_100020643023_100000210699 [0,1,0,0,0,0|2,0,1]=4 670 B8R0.1 CC=CC(=O)NCCF 11a_100000724931_100000210699 [0,1,0,0,0,0|2,0,1]=4 671 B8R0.1 CC=CC(=O)NCCF 1626a_100000724931_100000210699 [0,1,0,0,0,0|2,0,1]=4 672 B8R0.1 CC=CC(=O)NCCF 240690a_100000724931_100000210699 [0,1,0,0,0,0|2,0,1]=4 673 B8R0.1 CC=CC(=O)NCCO 240690a_100000210304_100000210699 [0,1,0,0,0,0|2,0,1]=4 674 B8R0.1 CC=CC(=O)NNCC 22a_100000756455_100000210699 [0,1,0,0,0,0|2,0,1]=4 675 B8R0.1 CC=CCC(=O)C=CC 1458a_100000210699_100000070051 [0,1,0,0,0,0|2,0,1]=4 676 B8R0.1 CC=CCC(=O)CCC 1458a_100000211992_100000070051 [0,1,0,0,0,0|2,0,0]=3 677 B8R0.1 CC=CCC(=O)CCC 1458a_100121576822_100000210303 [0,1,0,0,0,0|2,0,0]=3 678 B8R0.1 CC=CCC(=O)CCF 1458a_100121576822_100011217306 [0,1,0,0,0,0|3,0,0]=4 679 B8R0.1 CC=CCC(=O)CCO 1458a_100011216618_100000070051 [0,1,0,0,0,0|3,0,0]=4 680 B8R0.1 CC=CCC(=O)CCO 1458a_100121576822_100000211926 [0,1,0,0,0,0|3,0,0]=4 681 B8R0.1 CC=CCC(=O)COC 1458a_100000210968_100000070051 [0,1,0,0,0,0|1,1,1]=4 682 B8R0.1 CC=CCC(=O)CSC 1458a_100000184570_100000070051 [0,1,0,0,0,0|1,0,1]=3 683 B8R0.1 CC=CCC(=O)NCC 11a_100015525214_100121576822 [0,1,0,0,0,0|2,0,0]=3 684 B8R0.1 CC=CCC(=O)NCC 240690a_100015525214_100121576822 [0,1,0,0,0,0|2,0,0]=3 685 B8R0.1 CC=CCC(=O)NCC 527a_100015525214_100121576822 [0,1,0,0,0,0|2,0,0]=3 686 B8R0.1 CC=CCC(=O)NNC 22a_100016993582_100121576822 [0,1,0,0,0,0|3,0,0]=4 687 B8R0.1 CC=NNC(=O)CCC 4a_100000189770_200000210099 [0,1,0,0,0,0|2,0,1]=4 688 B8R0.1 CC=NNC(=O)COC 4a_100000216845_200000210099 [0,1,0,0,0,0|1,1,1]=4 689 B8R0.1 CCC#CC(=O)CC#N 1458a_100011827653_100011214920 [0,1,0,0,0,0|3,0,0]=4 690 B8R0.1 CCC#CC(=O)CCC 1458a_100011827653_100000210303 [0,1,0,0,0,0|2,0,0]=3 691 B8R0.1 CCC#CC(=O)CCF 1458a_100011827653_100011217306 [0,1,0,0,0,0|3,0,0]=4 692 B8R0.1 CCC#CC(=O)CCO 1458a_100011827653_100000211926 [0,1,0,0,0,0|3,0,0]=4 693 B8R0.1 CCC#CC(=O)NNC 22a_100016993582_100011827653 [0,1,0,0,0,0|3,0,0]=4 694 B8R0.1 CCC=CC(=O)CC#N 1458a_100000212282_100011214920 [0,1,0,0,0,0|3,0,0]=4 695 B8R0.1 CCC=CC(=O)CCC 1458a_100000212282_100000210303 [0,1,0,0,0,0|2,0,0]=3 696 B8R0.1 CCC=CC(=O)CCF 1458a_100000212282_100011217306 [0,1,0,0,0,0|3,0,0]=4 697 B8R0.1 CCC=CC(=O)CCO 1458a_100000212282_100000211926 [0,1,0,0,0,0|3,0,0]=4 698 B8R0.1 CCC=CC(=O)NCC 11a_100015525214_100000212282 [0,1,0,0,0,0|2,0,1]=4 699 B8R0.1 CCC=CC(=O)NCC 240690a_100015525214_100000212282 [0,1,0,0,0,0|2,0,1]=4 700 B8R0.1 CCC=CC(=O)NNC 22a_100016993582_100000212282 [0,1,0,0,0,0|3,0,0]=4 701 B8R0.1 CCCC(=NNCC)C 4a_100000756455_100000211909 [0,1,0,0,0,0|3,0,0]=4 702 B8R0.1 CCCC(=O)C#CCO 1458a_100000049017_100000210303 [0,1,0,0,0,0|2,0,1]=4 703 B8R0.1 CCCC(=O)C=COC 1458a_100016268678_100000210303 [0,1,0,0,0,0|1,1,1]=4 704 B8R0.1 CCCC(=O)CCC#N 1458a_100000211992_100011215226 [0,1,0,0,0,0|2,0,1]=4 705 B8R0.1 CCCC(=O)CCC#N 1458a_100011934036_100000210303 [0,1,0,0,0,0|2,0,1]=4 706 B8R0.1 CCCC(=O)CCCF 1458a_100000211992_100011934791 [0,1,0,0,0,0|2,0,0]=3 707 B8R0.1 CCCC(=O)CCCO 1458a_100000211992_100011215043 [0,1,0,0,0,0|2,0,0]=3 708 B8R0.1 CCCC(=O)CCOC 1458a_100000211992_100000233755 [0,1,0,0,0,0|1,1,0]=3 709 B8R0.1 CCCC(=O)CCOC 1458a_100000749529_100000210303 [0,1,0,0,0,0|1,1,0]=3 710 B8R0.1 CCCC(=O)CCSC 1458a_100000174002_100000210303 [0,1,0,0,0,0|1,0,0]=2 711 B8R0.1 CCCC(=O)CCSC 1458a_100000211992_100000751147 [0,1,0,0,0,0|1,0,0]=2 712 B8R0.1 CCCC(=O)CNCC 2230a_100015525214_100000747444 [0,1,0,0,0,0|2,0,0]=3 713 B8R0.1 CCCC(=O)COCC 1458a_100000211967_100000210303 [0,1,0,0,0,0|1,0,0]=2 714 B8R0.1 CCCC(=O)CSCC 1458a_100000230394_100000210303 [0,1,0,0,0,0|1,0,0]=2 715 B8R0.1 CCCC(=O)CSCC 62a_100000210202_100000747444 [0,1,0,0,0,0|1,0,0]=2 716 B8R0.1 CCCC(=O)CSCC 62a_100000747444_100000210202 [0,1,0,0,0,0|1,0,0]=2 717 B8R0.1 CCCC(=O)CSCF 62a_100000747444_100015361967 [0,1,0,0,0,0|1,0,0]=2 718 B8R0.1 CCCC(=O)CSCF 62a_100015361967_100000747444 [0,1,0,0,0,0|1,0,0]=2 719 B8R0.1 CCCC(=O)NCC#N 1626a_100000734998_100000211992 [0,1,0,0,0,0|2,0,1]=4 720 B8R0.1 CCCC(=O)NCC#N 527a_100000734998_100000211992 [0,1,0,0,0,0|2,0,1]=4 721 B8R0.1 CCCC(=O)NCCF 11a_100000724931_100000211992 [0,1,0,0,0,0|2,0,0]=3 722 B8R0.1 CCCC(=O)NCCF 1626a_100000724931_100000211992 [0,1,0,0,0,0|2,0,0]=3 723 B8R0.1 CCCC(=O)NCCF 240690a_100000724931_100000211992 [0,1,0,0,0,0|2,0,0]=3 724 B8R0.1 CCCC(=O)NCCF 527a_100000724931_100000211992 [0,1,0,0,0,0|2,0,0]=3 725 B8R0.1 CCCC(=O)NCCO 240690a_100000210304_100000211992 [0,1,0,0,0,0|2,0,0]=3 726 B8R0.1 CCCC(=O)NCCO 527a_100000210304_100000211992 [0,1,0,0,0,0|2,0,0]=3 727 B8R0.1 CCCC(=O)NNCC 22a_100000756455_100000211992 [0,1,0,0,0,0|2,0,0]=3 728 B8R0.1 CCCC(=O)OCNC 2230a_106832991635_100000034017 [0,1,0,0,0,0|1,0,0]=2 729 B8R0.1 CCCC(=O)OCNC 34a_100102657272_100000034017 [0,1,0,0,0,0|1,0,0]=2 730 B8R0.1 CCCC(=O)OCOC 34a_100138415774_100000034017 [0,1,0,0,0,0|1,0,0]=2 731 B8R0.1 CCCC(=O)OCSC 62a_200000210301_100000034017 [0,1,0,0,0,0|1,0,0]=2 732 B8R0.1 CCCC(=O)OCS[13CH3] 62a_200025704644_100000034017 [0,1,0,0,0,0|1,0,0]=2 733 B8R0.1 CCCC(C)COCC 34a_100000688023_100000210202 [0,1,0,0,0,0|2,0,1]=4 734 B8R0.1 CCCC(C)COCC 34a_100121572206_100011216630 [0,1,0,0,0,0|2,0,1]=4 735 B8R0.1 CCCC(C)COCC 7a_100000688023_100000210202 [0,1,0,0,0,0|2,0,1]=4 736 B8R0.1 CCCC(C)CSCC 62a_100000210202_100011216630 [0,1,0,0,0,0|2,0,1]=4 737 B8R0.1 CCCC(C)CSCC 62a_100011216630_100000210202 [0,1,0,0,0,0|2,0,1]=4 738 B8R0.1 CCCC(C)CSCF 62a_100011216630_100015361967 [0,1,0,0,0,0|2,0,1]=4 739 B8R0.1 CCCC(C)CSCF 62a_100015361967_100011216630 [0,1,0,0,0,0|2,0,1]=4 740 B8R0.1 CCCC(C)NCSC 2230a_100000741246_100011218213 [0,1,0,0,0,0|2,0,1]=4 741 B8R0.1 CCCC(C)OCCBr 34a_100000211926_100000766640 [0,1,0,0,0,0|2,0,1]=4 742 B8R0.1 CCCC(C)OCCF 34a_100000764384_100011217306 [0,1,0,0,0,0|2,0,1]=4 743 B8R0.1 CCCC(C)OCCF 7a_100000764384_100011217306 [0,1,0,0,0,0|2,0,1]=4 744 B8R0.1 CCCC(C)OCCN 34a_100000210304_100000766640 [0,1,0,0,0,0|2,0,1]=4 745 B8R0.1 CCCC(C)OCCO 34a_100000764384_100000211926 [0,1,0,0,0,0|2,0,1]=4 746 B8R0.1 CCCC(C)OCCO 7a_100000764384_100000211926 [0,1,0,0,0,0|2,0,1]=4 747 B8R0.1 CCCC(C)OCSC 34a_100000764384_100011218213 [0,1,0,0,0,0|2,0,1]=4 748 B8R0.1 CCCC(C)SCSC 62a_100000766640_100011218213 [0,1,0,0,0,0|2,0,1]=4 749 B8R0.1 CCCC(C)SCSC 62a_100011218213_100000766640 [0,1,0,0,0,0|2,0,1]=4 750 B8R0.1 CCCCC(=O)CC#N 1458a_100000210183_100011214920 [0,1,0,0,0,0|3,0,0]=4 751 B8R0.1 CCCCC(=O)CC#N 1458a_100051588842_100000210211 [0,1,0,0,0,0|3,0,0]=4 752 B8R0.1 CCCCC(=O)CCC 1458a_100000210183_100000210303 [0,1,0,0,0,0|2,0,0]=3 753 B8R0.1 CCCCC(=O)CCC 1458a_100000211992_100000210211 [0,1,0,0,0,0|2,0,0]=3 754 B8R0.1 CCCCC(=O)CCF 1458a_100000210183_100011217306 [0,1,0,0,0,0|3,0,0]=4 755 B8R0.1 CCCCC(=O)CCO 1458a_100000210183_100000211926 [0,1,0,0,0,0|3,0,0]=4 756 B8R0.1 CCCCC(=O)CCO 1458a_100011216618_100000210211 [0,1,0,0,0,0|3,0,0]=4 757 B8R0.1 CCCCC(=O)COC 1458a_100000210968_100000210211 [0,1,0,0,0,0|1,1,0]=3 758 B8R0.1 CCCCC(=O)CSC 1458a_100000184570_100000210211 [0,1,0,0,0,0|1,0,0]=2 759 B8R0.1 CCCCC(=O)NCC 11a_100015525214_100000210183 [0,1,0,0,0,0|2,0,0]=3 760 B8R0.1 CCCCC(=O)NCC 240690a_100015525214_100000210183 [0,1,0,0,0,0|2,0,0]=3 761 B8R0.1 CCCCC(=O)NCC 527a_100015525214_100000210183 [0,1,0,0,0,0|2,0,0]=3 762 B8R0.1 CCCCC(=O)NNC 22a_100016993582_100000210183 [0,1,0,0,0,0|3,0,0]=4 763 B8R0.1 CCCCC(C)OCC 34a_100000687866_100000210202 [0,1,0,0,0,0|2,0,1]=4 764 B8R0.1 CCCCC(C)OCC 34a_100121572206_200011215066 [0,1,0,0,0,0|2,0,1]=4 765 B8R0.1 CCCCC(C)OCC 7a_100000687866_100000210202 [0,1,0,0,0,0|2,0,1]=4 766 B8R0.1 CCCCN(C)CSC 2230a_100000207549_100011218213 [0,1,0,0,0,0|3,0,0]=4 767 B8R0.1 CCCCN(C)CSC 269982a_100000207549_100011218213 [0,1,0,0,0,0|3,0,0]=4 768 B8R0.1 CCCN(C)CCSC 2230a_100000686725_100000210303 [0,1,0,0,0,0|3,0,0]=4 769 B8R0.1 CCCN(C)CCSC 2230a_100000747261_100000751147 [0,1,0,0,0,0|3,0,0]=4 770 B8R0.1 CCCN(C)CCSC 269982a_100000686725_100000210303 [0,1,0,0,0,0|3,0,0]=4 771 B8R0.1 CCCN(C)CCSC 269982a_100000747261_100000212216 [0,1,0,0,0,0|3,0,0]=4 772 B8R0.1 CCCN(C)COCC 269982a_100000747261_100000739092 [0,1,0,0,0,0|3,0,0]=4 773 B8R0.1 CCCNC(=O)CC#N 1626a_100020643023_100051588842 [0,1,0,0,0,0|3,0,0]=4 774 B8R0.1 CCCNC(=O)CC#N 240690a_100020643023_100051588842 [0,1,0,0,0,0|3,0,0]=4 775 B8R0.1 CCCNC(=O)CCC 11a_100020643023_100000211992 [0,1,0,0,0,0|2,0,0]=3 776 B8R0.1 CCCNC(=O)CCC 1626a_100020643023_100000211992 [0,1,0,0,0,0|2,0,0]=3 777 B8R0.1 CCCNC(=O)CCC 240690a_100020643023_100000211992 [0,1,0,0,0,0|2,0,0]=3 778 B8R0.1 CCCNC(=O)CCC 527a_100020643023_100000211992 [0,1,0,0,0,0|2,0,0]=3 779 B8R0.1 CCCNC(=O)CCO 240690a_100020643023_100011216618 [0,1,0,0,0,0|3,0,0]=4 780 B8R0.1 CCCNC(=O)CNC 2230a_100000174927_200000210301 [0,1,0,0,0,0|2,0,0]=3 781 B8R0.1 CCCNC(=O)CNC 2230a_106832991635_100000183358 [0,1,0,0,0,0|2,0,0]=3 782 B8R0.1 CCCNC(=O)CNC 34a_100102657272_100000183358 [0,1,0,0,0,0|2,0,0]=3 783 B8R0.1 CCCNC(=O)CNC 7a_106832991635_100000183358 [0,1,0,0,0,0|2,0,0]=3 784 B8R0.1 CCCNC(=O)CN[13CH3] 2230a_100000174927_200025704644 [0,1,0,0,0,0|2,0,0]=3 785 B8R0.1 CCCNC(=O)COC 11a_100020643023_100000210968 [0,1,0,0,0,0|1,1,0]=3 786 B8R0.1 CCCNC(=O)COC 1626a_100020643023_100000210968 [0,1,0,0,0,0|1,1,0]=3 787 B8R0.1 CCCNC(=O)COC 240690a_100020643023_100000210968 [0,1,0,0,0,0|1,1,0]=3 788 B8R0.1 CCCNC(=O)COC 34a_100138415774_100000183358 [0,1,0,0,0,0|1,1,0]=3 789 B8R0.1 CCCNC(=O)COC 527a_100020643023_100000210968 [0,1,0,0,0,0|1,1,0]=3 790 B8R0.1 CCCNC(=O)CSC 11a_100020643023_100000184570 [0,1,0,0,0,0|1,0,0]=2 791 B8R0.1 CCCNC(=O)CSC 1626a_100020643023_100000184570 [0,1,0,0,0,0|1,0,0]=2 792 B8R0.1 CCCNC(=O)CSC 240690a_100020643023_100000184570 [0,1,0,0,0,0|1,0,0]=2 793 B8R0.1 CCCNC(=O)CSC 527a_100020643023_100000184570 [0,1,0,0,0,0|1,0,0]=2 794 B8R0.1 CCCNC(=O)CSC 62a_100000183358_200000210301 [0,1,0,0,0,0|1,0,0]=2 795 B8R0.1 CCCNC(=O)CSC 62a_200000210301_100000183358 [0,1,0,0,0,0|1,0,0]=2 796 B8R0.1 CCCNC(=O)CS[13CH3] 62a_100000183358_200025704644 [0,1,0,0,0,0|1,0,0]=2 797 B8R0.1 CCCNC(=O)CS[13CH3] 62a_200025704644_100000183358 [0,1,0,0,0,0|1,0,0]=2 798 B8R0.1 CCCNC(=O)NCC 2708a_100015525214_100020643023 [0,1,0,0,0,0|2,0,0]=3 799 B8R0.1 CCCNC(=O)NCC 2708a_100020643023_100015525214 [0,1,0,0,0,0|2,0,0]=3 800 B8R0.1 CCCNC(=O)NCC 273464a_100015525214_100020643023 [0,1,0,0,0,0|2,0,0]=3 801 B8R0.1 CCCNC(=O)NCC 273464a_100020643023_100015525214 [0,1,0,0,0,0|2,0,0]=3 802 B8R0.1 CCCNC(=O)NCC 512a_100015525214_100020643023 [0,1,0,0,0,0|2,0,0]=3 803 B8R0.1 CCCNC(=O)NCC 512a_100020643023_100015525214 [0,1,0,0,0,0|2,0,0]=3 804 B8R0.1 CCCNC(=O)NNC 273464a_100020643023_100016993582 [0,1,0,0,0,0|3,0,0]=4 805 B8R0.1 CCCNC(=O)NNC 512a_100016993582_100020643023 [0,1,0,0,0,0|3,0,0]=4 806 B8R0.1 CCCNC(=O)NNC 512a_100020643023_100016993582 [0,1,0,0,0,0|3,0,0]=4 807 B8R0.1 CCCNC(C)CSC 270004a_100020643023_100011216314 [0,1,0,0,0,0|2,0,1]=4 808 B8R0.1 CCCOC(=O)CNC 2230a_106832991635_200011215008 [0,1,0,0,0,0|1,0,0]=2 809 B8R0.1 CCCOC(=O)CNC 34a_100102657272_200011215008 [0,1,0,0,0,0|1,0,0]=2 810 B8R0.1 CCCOC(=O)CNC 7a_106832991635_200011215008 [0,1,0,0,0,0|1,0,0]=2 811 B8R0.1 CCCOC(=O)COC 34a_100138415774_200011215008 [0,1,0,0,0,0|0,1,0]=2 812 B8R0.1 CCCOC(=O)CSC 62a_200000210301_200011215008 [0,1,0,0,0,0|0,0,0]=1 813 B8R0.1 CCCOC(=O)CSC 62a_200011215008_200000210301 [0,1,0,0,0,0|0,0,0]=1 814 B8R0.1 CCCOC(=O)CS[13CH3] 62a_200011215008_200025704644 [0,1,0,0,0,0|0,0,0]=1 815 B8R0.1 CCCOC(=O)CS[13CH3] 62a_200025704644_200011215008 [0,1,0,0,0,0|0,0,0]=1 816 B8R0.1 CCCOC(C)CCC 34a_100000210258_100000766640 [0,1,0,0,0,0|2,0,1]=4 817 B8R0.1 CCCOC(C)CCC 34a_100000764384_100000210303 [0,1,0,0,0,0|2,0,1]=4 818 B8R0.1 CCCOC(C)CCC 7a_100000764384_100000210303 [0,1,0,0,0,0|2,0,1]=4 819 B8R0.1 CCCOC(C)CNC 2230a_100015185124_200000210301 [0,1,0,0,0,0|2,0,1]=4 820 B8R0.1 CCCOC(C)CNC 34a_100015185124_200000210301 [0,1,0,0,0,0|2,0,1]=4 821 B8R0.1 CCCOC(C)CN[13CH3] 2230a_100015185124_200025704644 [0,1,0,0,0,0|2,0,1]=4 822 B8R0.1 CCCOC(C)CN[13CH3] 34a_100015185124_200025704644 [0,1,0,0,0,0|2,0,1]=4 823 B8R0.1 CCCOC(C)COC 34a_100000210258_100000765312 [0,1,0,0,0,0|1,1,1]=4 824 B8R0.1 CCCO[C@H](C)COC 34a_100011934205_100000210303 [0,1,0,0,0,0|1,1,1]=4 825 B8R0.1 CCC[C@H](N)COCC 34a_100000732646_100000210202 [0,1,0,0,0,0|2,0,1]=4 826 B8R0.1 CCNC(=O)C=COC 240690a_100015525214_100016268678 [0,1,0,0,0,0|1,1,1]=4 827 B8R0.1 CCNC(=O)CCC#N 11a_100015525214_100011934036 [0,1,0,0,0,0|2,0,1]=4 828 B8R0.1 CCNC(=O)CCC#N 240690a_100015525214_100011934036 [0,1,0,0,0,0|2,0,1]=4 829 B8R0.1 CCNC(=O)CCC#N 527a_100015525214_100011934036 [0,1,0,0,0,0|2,0,1]=4 830 B8R0.1 CCNC(=O)CCNC 2230a_106832991635_100000737597 [0,1,0,0,0,0|2,0,0]=3 831 B8R0.1 CCNC(=O)CCNC 34a_100025743525_200000210301 [0,1,0,0,0,0|2,0,0]=3 832 B8R0.1 CCNC(=O)CCNC 7a_106832991635_100000737597 [0,1,0,0,0,0|2,0,0]=3 833 B8R0.1 CCNC(=O)CCN[13CH3] 34a_100025743525_200025704644 [0,1,0,0,0,0|2,0,0]=3 834 B8R0.1 CCNC(=O)CCOC 11a_100015525214_100000749529 [0,1,0,0,0,0|1,1,0]=3 835 B8R0.1 CCNC(=O)CCOC 240690a_100015525214_100000749529 [0,1,0,0,0,0|1,1,0]=3 836 B8R0.1 CCNC(=O)CCOC 527a_100015525214_100000749529 [0,1,0,0,0,0|1,1,0]=3 837 B8R0.1 CCNC(=O)CCSC 11a_100015525214_100000174002 [0,1,0,0,0,0|1,0,0]=2 838 B8R0.1 CCNC(=O)CCSC 240690a_100015525214_100000174002 [0,1,0,0,0,0|1,0,0]=2 839 B8R0.1 CCNC(=O)CCSC 527a_100015525214_100000174002 [0,1,0,0,0,0|1,0,0]=2 840 B8R0.1 CCNC(=O)CCSC 62a_100000737597_200000210301 [0,1,0,0,0,0|1,0,0]=2 841 B8R0.1 CCNC(=O)CCSC 62a_200000210301_100000737597 [0,1,0,0,0,0|1,0,0]=2 842 B8R0.1 CCNC(=O)CCS[13CH3] 62a_100000737597_200025704644 [0,1,0,0,0,0|1,0,0]=2 843 B8R0.1 CCNC(=O)CCS[13CH3] 62a_200025704644_100000737597 [0,1,0,0,0,0|1,0,0]=2 844 B8R0.1 CCNC(=O)CN=[N+]=[N-] 11a_100015525214_100000751907 [0,1,0,0,0,0|3,0,0]=4 845 B8R0.1 CCNC(=O)CN=[N+]=[N-] 240690a_100015525214_100000751907 [0,1,0,0,0,0|3,0,0]=4 846 B8R0.1 CCNC(=O)COCC 11a_100015525214_100000211967 [0,1,0,0,0,0|1,1,0]=3 847 B8R0.1 CCNC(=O)COCC 240690a_100015525214_100000211967 [0,1,0,0,0,0|1,1,0]=3 848 B8R0.1 CCNC(=O)COCC 34a_100121572206_100000183381 [0,1,0,0,0,0|1,1,0]=3 849 B8R0.1 CCNC(=O)COCC 527a_100015525214_100000211967 [0,1,0,0,0,0|1,1,0]=3 850 B8R0.1 CCNC(=O)CSCC 11a_100015525214_100000230394 [0,1,0,0,0,0|1,0,0]=2 851 B8R0.1 CCNC(=O)CSCC 240690a_100015525214_100000230394 [0,1,0,0,0,0|1,0,0]=2 852 B8R0.1 CCNC(=O)CSCC 527a_100015525214_100000230394 [0,1,0,0,0,0|1,0,0]=2 853 B8R0.1 CCNC(=O)CSCC 62a_100000183381_100000210202 [0,1,0,0,0,0|1,0,0]=2 854 B8R0.1 CCNC(=O)CSCC 62a_100000210202_100000183381 [0,1,0,0,0,0|1,0,0]=2 855 B8R0.1 CCNC(=O)CSCF 62a_100000183381_100015361967 [0,1,0,0,0,0|1,0,0]=2 856 B8R0.1 CCNC(=O)CSCF 62a_100015361967_100000183381 [0,1,0,0,0,0|1,0,0]=2 857 B8R0.1 CCNC(=O)NCC#N 2708a_100000734998_100015525214 [0,1,0,0,0,0|3,0,0]=4 858 B8R0.1 CCNC(=O)NCC#N 273464a_100000734998_100015525214 [0,1,0,0,0,0|3,0,0]=4 859 B8R0.1 CCNC(=O)NCC#N 273464a_100015525214_100000734998 [0,1,0,0,0,0|3,0,0]=4 860 B8R0.1 CCNC(=O)NCC#N 512a_100000734998_100015525214 [0,1,0,0,0,0|3,0,0]=4 861 B8R0.1 CCNC(=O)NCC#N 512a_100015525214_100000734998 [0,1,0,0,0,0|3,0,0]=4 862 B8R0.1 CCNC(=O)NCCF 2708a_100015525214_100000724931 [0,1,0,0,0,0|3,0,0]=4 863 B8R0.1 CCNC(=O)NCCF 273464a_100000724931_100015525214 [0,1,0,0,0,0|3,0,0]=4 864 B8R0.1 CCNC(=O)NCCF 273464a_100015525214_100000724931 [0,1,0,0,0,0|3,0,0]=4 865 B8R0.1 CCNC(=O)NCCF 512a_100015525214_100000724931 [0,1,0,0,0,0|3,0,0]=4 866 B8R0.1 CCNC(=O)NCCO 2708a_100015525214_100000210304 [0,1,0,0,0,0|3,0,0]=4 867 B8R0.1 CCNC(=O)NCCO 273464a_100000210304_100015525214 [0,1,0,0,0,0|3,0,0]=4 868 B8R0.1 CCNC(=O)NCCO 273464a_100015525214_100000210304 [0,1,0,0,0,0|3,0,0]=4 869 B8R0.1 CCNC(=O)NCCO 512a_100015525214_100000210304 [0,1,0,0,0,0|3,0,0]=4 870 B8R0.1 CCNC(C)CCSC 270004a_100015525214_100011217047 [0,1,0,0,0,0|2,0,1]=4 871 B8R0.1 CCNC(C)CSCC 270004a_100015525214_200011216171 [0,1,0,0,0,0|2,0,1]=4 872 B8R0.1 CCNCC(=O)NCC 2230a_100015525214_100000183381 [0,1,0,0,0,0|2,0,0]=3 873 B8R0.1 CCNCC(=O)NCC 2230a_100016988866_100000210202 [0,1,0,0,0,0|2,0,0]=3 874 B8R0.1 CCNCC(=O)NCO 2230a_100015525214_100000185155 [0,1,0,0,0,0|3,0,0]=4 875 B8R0.1 CCNCC(=O)OCC 2230a_100015525214_100000188475 [0,1,0,0,0,0|1,0,0]=2 876 B8R0.1 CCNN=C(C)COC 4a_100000756455_100000749346 [0,1,0,0,0,0|2,1,0]=4 877 B8R0.1 CCNN=C(C)CSC 4a_100000756455_100011216314 [0,1,0,0,0,0|2,0,0]=3 878 B8R0.1 CCNNC(=O)CC#N 22a_100000756455_100051588842 [0,1,0,0,0,0|3,0,0]=4 879 B8R0.1 CCNNC(=O)CCO 22a_100000756455_100011216618 [0,1,0,0,0,0|3,0,0]=4 880 B8R0.1 CCNNC(=O)COC 22a_100000756455_100000210968 [0,1,0,0,0,0|1,1,0]=3 881 B8R0.1 CCNNC(=O)CSC 22a_100000756455_100000184570 [0,1,0,0,0,0|1,0,0]=2 882 B8R0.1 CCNNC(=O)NCC 273464a_100015525214_100000756455 [0,1,0,0,0,0|3,0,0]=4 883 B8R0.1 CCNNC(=O)NCC 512a_100000756455_100015525214 [0,1,0,0,0,0|3,0,0]=4 884 B8R0.1 CCNNC(=O)NCC 512a_100015525214_100000756455 [0,1,0,0,0,0|3,0,0]=4 885 B8R0.1 CCNNC(=O)NNC 512a_100000756455_100016993582 [0,1,0,0,0,0|3,0,0]=4 886 B8R0.1 CCNNC(=O)NNC 512a_100016993582_100000756455 [0,1,0,0,0,0|3,0,0]=4 887 B8R0.1 CCOC(=O)CCNC 2230a_106832991635_100011206558 [0,1,0,0,0,0|1,0,0]=2 888 B8R0.1 CCOC(=O)CCNC 34a_100102657272_100000765890 [0,1,0,0,0,0|1,0,0]=2 889 B8R0.1 CCOC(=O)CCNC 7a_106832991635_100011206558 [0,1,0,0,0,0|1,0,0]=2 890 B8R0.1 CCOC(=O)CCOC 34a_100138415774_100000765890 [0,1,0,0,0,0|0,1,0]=2 891 B8R0.1 CCOC(=O)CCSC 62a_100000765890_200000210301 [0,1,0,0,0,0|0,0,0]=1 892 B8R0.1 CCOC(=O)CCSC 62a_200000210301_100000765890 [0,1,0,0,0,0|0,0,0]=1 893 B8R0.1 CCOC(=O)CCS[13CH3] 62a_100000765890_200025704644 [0,1,0,0,0,0|0,0,0]=1 894 B8R0.1 CCOC(=O)CCS[13CH3] 62a_200025704644_100000765890 [0,1,0,0,0,0|0,0,0]=1 895 B8R0.1 CCOC(=O)CSCC 62a_100000188475_100000210202 [0,1,0,0,0,0|0,0,0]=1 896 B8R0.1 CCOC(=O)CSCC 62a_100000210202_100000188475 [0,1,0,0,0,0|0,0,0]=1 897 B8R0.1 CCOC(=O)CSCF 62a_100000188475_100015361967 [0,1,0,0,0,0|0,0,0]=1 898 B8R0.1 CCOC(=O)CSCF 62a_100015361967_100000188475 [0,1,0,0,0,0|0,0,0]=1 899 B8R0.1 CCOC(=O)OCSC 62a_200000210301_100000075025 [0,1,0,0,0,0|0,0,0]=1 900 B8R0.1 CCOC(=O)OCS[13CH3] 62a_200025704644_100000075025 [0,1,0,0,0,0|0,0,0]=1 901 B8R0.1 CCOC(C)CCCCl 34a_200000718107_100000210202 [0,1,0,0,0,0|2,0,1]=4 902 B8R0.1 CCOC(C)CCCCl 7a_200000718107_100000210202 [0,1,0,0,0,0|2,0,1]=4 903 B8R0.1 CCOCC(=O)CC#N 1458a_100000211967_100011214920 [0,1,0,0,0,0|2,0,0]=3 904 B8R0.1 CCOCC(=O)CCF 1458a_100000211967_100011217306 [0,1,0,0,0,0|2,0,0]=3 905 B8R0.1 CCOCC(=O)CCO 1458a_100000211967_100000211926 [0,1,0,0,0,0|2,0,0]=3 906 B8R0.1 CCOCC(=O)NCO 34a_100121572206_100000185155 [0,1,0,0,0,0|2,1,0]=4 907 B8R0.1 CCOCC(=O)NNC 22a_100016993582_100000211967 [0,1,0,0,0,0|2,0,0]=3 908 B8R0.1 CCOCC(=O)OCC 34a_100121572206_100000188475 [0,1,0,0,0,0|0,1,0]=2 909 B8R0.1 CCOCC(C)OCC 34a_100000718985_100000210202 [0,1,0,0,0,0|1,1,1]=4 910 B8R0.1 CCOCC(C)OCC 7a_100000718985_100000210202 [0,1,0,0,0,0|1,1,1]=4 911 B8R0.1 CCOCC(N)COC 34a_100000724102_100000210202 [0,1,0,0,0,0|1,1,1]=4 912 B8R0.1 CCOCC(O)CNC 2230a_102515437182_200000210301 [0,1,0,0,0,0|1,0,2]=4 913 B8R0.1 CCOCC(O)CNC 34a_102515437182_200000210301 [0,1,0,0,0,0|1,0,2]=4 914 B8R0.1 CCOCC(O)CN[13CH3] 2230a_102515437182_200025704644 [0,1,0,0,0,0|1,0,2]=4 915 B8R0.1 CCOCC(O)CN[13CH3] 34a_102515437182_200025704644 [0,1,0,0,0,0|1,0,2]=4 916 B8R0.1 CCOCC(O)COC 34a_100121572206_100011215053 [0,1,0,0,0,0|0,1,2]=4 917 B8R0.1 CCSCC(=O)CC#N 1458a_100000230394_100011214920 [0,1,0,0,0,0|2,0,1]=4 918 B8R0.1 CCSCC(=O)CCF 1458a_100000230394_100011217306 [0,1,0,0,0,0|2,0,0]=3 919 B8R0.1 CCSCC(=O)CCO 1458a_100000230394_100000211926 [0,1,0,0,0,0|2,0,0]=3 920 B8R0.1 CCSCC(=O)NCO 62a_100000185155_100000210202 [0,1,0,0,0,0|2,0,0]=3 921 B8R0.1 CCSCC(=O)NCO 62a_100000210202_100000185155 [0,1,0,0,0,0|2,0,0]=3 922 B8R0.1 CCSCC(=O)NNC 22a_100016993582_100000230394 [0,1,0,0,0,0|2,0,0]=3 923 B8R0.1 CNCC(=O)NCC#N 2230a_106832991635_100000736037 [0,1,0,0,0,0|2,0,1]=4 924 B8R0.1 CNCC(=O)NCC#N 7a_106832991635_100000736037 [0,1,0,0,0,0|2,0,1]=4 925 B8R0.1 CNCC(=O)NCCF 2230a_100000725713_200000210301 [0,1,0,0,0,0|2,0,0]=3 926 B8R0.1 CNNC(=O)CCOC 22a_100016993582_100000749529 [0,1,0,0,0,0|2,1,0]=4 927 B8R0.1 CNNC(=O)CCSC 22a_100016993582_100000174002 [0,1,0,0,0,0|2,0,0]=3 928 B8R0.1 CNNC(=O)NCCF 273464a_100000724931_100016993582 [0,1,0,0,0,0|3,0,0]=4 929 B8R0.1 CNNC(=O)NCCF 512a_100016993582_100000724931 [0,1,0,0,0,0|3,0,0]=4 930 B8R0.1 CNNC(=O)NCCO 273464a_100000210304_100016993582 [0,1,0,0,0,0|3,0,0]=4 931 B8R0.1 CNNC(=O)NCCO 512a_100016993582_100000210304 [0,1,0,0,0,0|3,0,0]=4 932 B8R0.1 COCC(=O)CCC#N 1458a_100000210968_100011215226 [0,1,0,0,0,0|1,1,1]=4 933 B8R0.1 COCC(=O)CCCF 1458a_100000210968_100011934791 [0,1,0,0,0,0|1,1,0]=3 934 B8R0.1 COCC(=O)CCCO 1458a_100000210968_100011215043 [0,1,0,0,0,0|1,1,0]=3 935 B8R0.1 COCC(=O)CCSC 1458a_100000210968_100000751147 [0,1,0,0,0,0|1,1,0]=3 936 B8R0.1 COCC(=O)NCC#N 1626a_100000734998_100000210968 [0,1,0,0,0,0|1,1,1]=4 937 B8R0.1 COCC(=O)NCC#N 527a_100000734998_100000210968 [0,1,0,0,0,0|1,1,1]=4 938 B8R0.1 COCC(=O)NCCF 11a_100000724931_100000210968 [0,1,0,0,0,0|1,1,0]=3 939 B8R0.1 COCC(=O)NCCF 1626a_100000724931_100000210968 [0,1,0,0,0,0|1,1,0]=3 940 B8R0.1 COCC(=O)NCCF 240690a_100000724931_100000210968 [0,1,0,0,0,0|1,1,0]=3 941 B8R0.1 COCC(=O)NCCF 527a_100000724931_100000210968 [0,1,0,0,0,0|1,1,0]=3 942 B8R0.1 COCC(=O)NCCO 240690a_100000210304_100000210968 [0,1,0,0,0,0|1,1,0]=3 943 B8R0.1 COCC(=O)NCCO 527a_100000210304_100000210968 [0,1,0,0,0,0|1,1,0]=3 944 B8R0.1 COCC(C)OCCBr 34a_100000211926_100000765312 [0,1,0,0,0,0|1,1,1]=4 945 B8R0.1 COCC(C)OCCN 34a_100000210304_100000765312 [0,1,0,0,0,0|1,1,1]=4 946 B8R0.1 COCCC(=O)CC#N 1458a_100000749529_100011214920 [0,1,0,0,0,0|3,0,0]=4 947 B8R0.1 COCCC(=O)CC#N 1458a_100051588842_100000233755 [0,1,0,0,0,0|3,0,0]=4 948 B8R0.1 COCCC(=O)CCF 1458a_100000749529_100011217306 [0,1,0,0,0,0|2,1,0]=4 949 B8R0.1 COCCC(=O)CCO 1458a_100000749529_100000211926 [0,1,0,0,0,0|2,1,0]=4 950 B8R0.1 COCCC(=O)CCO 1458a_100011216618_100000233755 [0,1,0,0,0,0|2,1,0]=4 951 B8R0.1 COCCC(=O)COC 1458a_100000210968_100000233755 [0,1,0,0,0,0|1,1,0]=3 952 B8R0.1 COCCC(=O)CSC 1458a_100000184570_100000233755 [0,1,0,0,0,0|1,0,0]=2 953 B8R0.1 COCCN(C)CSC 2230a_100000743101_100011218213 [0,1,0,0,0,0|3,0,0]=4 954 B8R0.1 COCCN(C)CSC 269982a_100000743101_100011218213 [0,1,0,0,0,0|3,0,0]=4 955 B8R0.1 COCO[C@H](C)COC 34a_100016172286_200000210301 [0,1,0,0,0,0|1,1,1]=4 956 B8R0.1 COCO[C@H](C)COC 7a_100016172286_200000210301 [0,1,0,0,0,0|1,1,1]=4 957 B8R0.1 COCO[C@H](C)CO[13CH3] 34a_100016172286_200025704644 [0,1,0,0,0,0|1,1,1]=4 958 B8R0.1 COCO[C@H](C)CO[13CH3] 7a_100016172286_200025704644 [0,1,0,0,0,0|1,1,1]=4 959 B8R0.1 COC[C@@H](C)OCCF 34a_100011934205_100011217306 [0,1,0,0,0,0|1,1,1]=4 960 B8R0.1 COC[C@@H](C)OCCO 34a_100011934205_100000211926 [0,1,0,0,0,0|1,1,1]=4 961 B8R0.1 COC[C@@H](C)OCSC 34a_100011934205_100011218213 [0,1,0,0,0,0|1,1,1]=4 962 B8R0.1 CSCC(=O)CCC#N 1458a_100000184570_100011215226 [0,1,0,0,0,0|1,0,1]=3 963 B8R0.1 CSCC(=O)CCCF 1458a_100000184570_100011934791 [0,1,0,0,0,0|1,0,0]=2 964 B8R0.1 CSCC(=O)CCCO 1458a_100000184570_100011215043 [0,1,0,0,0,0|1,0,0]=2 965 B8R0.1 CSCC(=O)NCC#N 1626a_100000734998_100000184570 [0,1,0,0,0,0|1,0,1]=3 966 B8R0.1 CSCC(=O)NCC#N 527a_100000734998_100000184570 [0,1,0,0,0,0|1,0,1]=3 967 B8R0.1 CSCC(=O)NCC#N 62a_100000736037_200000210301 [0,1,0,0,0,0|1,0,1]=3 968 B8R0.1 CSCC(=O)NCC#N 62a_200000210301_100000736037 [0,1,0,0,0,0|1,0,1]=3 969 B8R0.1 CSCC(=O)NCCF 11a_100000724931_100000184570 [0,1,0,0,0,0|1,0,0]=2 970 B8R0.1 CSCC(=O)NCCF 1626a_100000724931_100000184570 [0,1,0,0,0,0|1,0,0]=2 971 B8R0.1 CSCC(=O)NCCF 240690a_100000724931_100000184570 [0,1,0,0,0,0|1,0,0]=2 972 B8R0.1 CSCC(=O)NCCF 527a_100000724931_100000184570 [0,1,0,0,0,0|1,0,0]=2 973 B8R0.1 CSCC(=O)NCCO 240690a_100000210304_100000184570 [0,1,0,0,0,0|1,0,0]=2 974 B8R0.1 CSCC(=O)NCCO 527a_100000210304_100000184570 [0,1,0,0,0,0|1,0,0]=2 975 B8R0.1 CSCC(C)NCCO 270004a_100000210304_100011216314 [0,1,0,0,0,0|2,0,1]=4 976 B8R0.1 CSCCC(=O)C=CBr 1458a_100016273825_100000751147 [0,1,0,0,0,0|2,0,1]=4 977 B8R0.1 CSCCC(=O)C=CCl 1458a_200016279998_100000751147 [0,1,0,0,0,0|2,0,1]=4 978 B8R0.1 CSCCC(=O)C=CI 1458a_100016256311_100000751147 [0,1,0,0,0,0|2,0,1]=4 979 B8R0.1 CSCCC(=O)CC#N 1458a_100000174002_100011214920 [0,1,0,0,0,0|2,0,1]=4 980 B8R0.1 CSCCC(=O)CC#N 1458a_100051588842_100000751147 [0,1,0,0,0,0|2,0,1]=4 981 B8R0.1 CSCCC(=O)CCF 1458a_100000174002_100011217306 [0,1,0,0,0,0|2,0,0]=3 982 B8R0.1 CSCCC(=O)CCO 1458a_100000174002_100000211926 [0,1,0,0,0,0|2,0,0]=3 983 B8R0.1 CSCCC(=O)CCO 1458a_100011216618_100000751147 [0,1,0,0,0,0|2,0,0]=3 984 B8R0.1 CSCCC(=O)CSC 1458a_100000184570_100000751147 [0,1,0,0,0,0|1,0,0]=2 985 B8R0.1 CSCCN(C)CSC 2230a_100000686725_100011218213 [0,1,0,0,0,0|3,0,0]=4 986 B8R0.1 CSCCN(C)CSC 269982a_100000686725_100011218213 [0,1,0,0,0,0|3,0,0]=4 987 B8R0.1 CSCN(C)CCCO 2230a_100000213112_100011218213 [0,1,0,0,0,0|3,0,0]=4 988 B8R0.1 CSCN(C)CCCO 269982a_100000213112_100011218213 [0,1,0,0,0,0|3,0,0]=4 989 B8R0.1 N#CCC(=O)CCCF 1458a_100051588842_100011934791 [0,1,0,0,0,0|3,0,0]=4 990 B8R0.1 N#CCC(=O)CCCO 1458a_100051588842_100011215043 [0,1,0,0,0,0|3,0,0]=4 991 B8R0.1 N#CCC(=O)NCCF 1626a_100000724931_100051588842 [0,1,0,0,0,0|3,0,0]=4 992 B8R0.1 N#CCC(=O)NCCF 240690a_100000724931_100051588842 [0,1,0,0,0,0|3,0,0]=4 993 B8R0.1 N#CCC(=O)NCCO 240690a_100000210304_100051588842 [0,1,0,0,0,0|3,0,0]=4 994 B8R0.1 O=C(CCO)CCCF 1458a_100011216618_100011934791 [0,1,0,0,0,0|3,0,0]=4 995 B8R0.1 O=C(CCO)CCCO 1458a_100011216618_100011215043 [0,1,0,0,0,0|3,0,0]=4 996 B8R0.1 O=C(CCO)NCCF 240690a_100000724931_100011216618 [0,1,0,0,0,0|3,0,0]=4 997 B8R0.1 O=C(CCO)NCCO 240690a_100000210304_100011216618 [0,1,0,0,0,0|3,0,0]=4 998 B8R0.1 O=C(CSCF)NCO 62a_100000185155_100015361967 [0,1,0,0,0,0|2,0,0]=3 999 B8R0.1 O=C(CSCF)NCO 62a_100015361967_100000185155 [0,1,0,0,0,0|2,0,0]=3 1000 B8R0.1 [13CH3]NCC(=O)NCCF 2230a_100000725713_200025704644 [0,1,0,0,0,0|2,0,0]=3 1001 B8R0.1 [13CH3]SCC(=O)NCC#N 62a_100000736037_200025704644 [0,1,0,0,0,0|1,0,1]=3 1002 B8R0.1 [13CH3]SCC(=O)NCC#N 62a_200025704644_100000736037 [0,1,0,0,0,0|1,0,1]=3 1003 B8R0.3 C#CC(C)C(=O)CCC 1458a_100000211992_200000035995 [0,1,0,0,0,0|2,0,1]=4 1004 B8R0.3 C#CC(C)C(=O)CSC 1458a_100000184570_200000035995 [0,1,0,0,0,0|1,0,2]=4 1005 B8R0.3 C#CCC(=O)C(C)CC 1458a_100011192722_100000184674 [0,1,0,0,0,0|2,0,1]=4 1006 B8R0.3 C#CCC(=O)C(C)CC 1458a_100011220946_100000758301 [0,1,0,0,0,0|2,0,1]=4 1007 B8R0.3 C#CCC(=O)C(C)SC 1458a_100000149566_100000184674 [0,1,0,0,0,0|1,0,2]=4 1008 B8R0.3 C#CCC(=O)C(O)CC 1458a_100011196387_100000184674 [0,1,0,0,0,0|2,0,1]=4 1009 B8R0.3 C#CCC(=O)N(C)CC 1626a_100000225621_100011220946 [0,1,0,0,0,0|2,0,1]=4 1010 B8R0.3 C#CCC(=O)N(C)CC 527a_100000225621_100011220946 [0,1,0,0,0,0|2,0,1]=4 1011 B8R0.3 C/C=C(\C)/C(=O)CCC 1458a_100020587367_100000210303 [0,1,0,0,0,0|2,0,1]=4 1012 B8R0.3 C/C=C(\C)/C(=O)NCC 11a_100015525214_100020587367 [0,1,0,0,0,0|2,0,1]=4 1013 B8R0.3 C=C(CSC)C(=O)OC 62a_100009813391_200000210301 [0,1,0,0,0,0|3,0,0]=4 1014 B8R0.3 C=C(CSC)C(=O)OC 62a_200000210301_100009813391 [0,1,0,0,0,0|3,0,0]=4 1015 B8R0.3 C=C(CS[13CH3])C(=O)OC 62a_100009813391_200025704644 [0,1,0,0,0,0|3,0,0]=4 1016 B8R0.3 C=C(CS[13CH3])C(=O)OC 62a_200025704644_100009813391 [0,1,0,0,0,0|3,0,0]=4 1017 B8R0.3 C=CC(C)C(=O)CCC 1458a_100011216780_100000210303 [0,1,0,0,0,0|2,0,1]=4 1018 B8R0.3 C=CC(C)C(=O)NCC 11a_100015525214_100011216780 [0,1,0,0,0,0|2,0,1]=4 1019 B8R0.3 C=CC(C)C(=O)NCC 240690a_100015525214_100011216780 [0,1,0,0,0,0|2,0,1]=4 1020 B8R0.3 C=CC(C)C(=O)NCC 527a_100015525214_100011216780 [0,1,0,0,0,0|2,0,1]=4 1021 B8R0.3 C=CCC(=O)C(C)CC 1458a_100000210193_100000758301 [0,1,0,0,0,0|2,0,1]=4 1022 B8R0.3 C=CCC(=O)C(C)CC 1458a_100011192722_100000210623 [0,1,0,0,0,0|2,0,1]=4 1023 B8R0.3 C=CCC(=O)C(C)SC 1458a_100000149566_100000210623 [0,1,0,0,0,0|1,0,2]=4 1024 B8R0.3 C=CCC(=O)C(O)CC 1458a_100011196387_100000210623 [0,1,0,0,0,0|2,0,1]=4 1025 B8R0.3 C=CCC(=O)N(C)CC 11a_100000225621_100000210193 [0,1,0,0,0,0|2,0,1]=4 1026 B8R0.3 C=CCC(=O)N(C)CC 1626a_100000225621_100000210193 [0,1,0,0,0,0|2,0,1]=4 1027 B8R0.3 C=CCC(=O)N(C)CC 240690a_100000225621_100000210193 [0,1,0,0,0,0|2,0,1]=4 1028 B8R0.3 C=CCC(=O)N(C)CC 527a_100000225621_100000210193 [0,1,0,0,0,0|2,0,1]=4 1029 B8R0.3 CC#CC(=O)C(C)CC 1458a_100000763181_100000758301 [0,1,0,0,0,0|2,0,1]=4 1030 B8R0.3 CC=CC(=O)C(C)CC 1458a_100000210699_100000758301 [0,1,0,0,0,0|2,0,1]=4 1031 B8R0.3 CC=CC(=O)N(C)CC 11a_100000225621_100000210699 [0,1,0,0,0,0|2,0,1]=4 1032 B8R0.3 CC=CC(=O)N(C)CC 1626a_100000225621_100000210699 [0,1,0,0,0,0|2,0,1]=4 1033 B8R0.3 CC=CC(=O)N(C)CC 240690a_100000225621_100000210699 [0,1,0,0,0,0|2,0,1]=4 1034 B8R0.3 CCC(=O)C(C)CSC 1458a_100000753918_100000210202 [0,1,0,0,0,0|2,0,1]=4 1035 B8R0.3 CCC(C)C(=O)CC#N 1458a_100011192722_100011214920 [0,1,0,0,0,0|3,0,0]=4 1036 B8R0.3 CCC(C)C(=O)CC#N 1458a_100051588842_100000758301 [0,1,0,0,0,0|3,0,0]=4 1037 B8R0.3 CCC(C)C(=O)CCF 1458a_100011192722_100011217306 [0,1,0,0,0,0|3,0,0]=4 1038 B8R0.3 CCC(C)C(=O)CCO 1458a_100011192722_100000211926 [0,1,0,0,0,0|3,0,0]=4 1039 B8R0.3 CCC(C)C(=O)CCO 1458a_100011216618_100000758301 [0,1,0,0,0,0|3,0,0]=4 1040 B8R0.3 CCC(C)C(=O)COC 1458a_100000210968_100000758301 [0,1,0,0,0,0|1,1,0]=3 1041 B8R0.3 CCC(C)C(=O)CSC 1458a_100000184570_100000758301 [0,1,0,0,0,0|1,0,0]=2 1042 B8R0.3 CCC(C)C(=O)NNC 22a_100016993582_100011192722 [0,1,0,0,0,0|3,0,0]=4 1043 B8R0.3 CCC(C)N(C)CSC 2230a_100000741768_100011218213 [0,1,0,0,0,0|3,0,0]=4 1044 B8R0.3 CCC(C)N(C)CSC 269982a_100000741768_100011218213 [0,1,0,0,0,0|3,0,0]=4 1045 B8R0.3 CCC(O)C(=O)CC#N 1458a_100011196387_100011214920 [0,1,0,0,0,0|3,0,0]=4 1046 B8R0.3 CCC(O)C(=O)CCF 1458a_100011196387_100011217306 [0,1,0,0,0,0|3,0,0]=4 1047 B8R0.3 CCC(O)C(=O)CCO 1458a_100011196387_100000211926 [0,1,0,0,0,0|3,0,0]=4 1048 B8R0.3 CCC(O)C(=O)NNC 22a_100016993582_100011196387 [0,1,0,0,0,0|3,0,0]=4 1049 B8R0.3 CCCC(=O)C(=O)NC 1458a_100011218921_100000210303 [0,1,0,0,0,0|2,0,1]=4 1050 B8R0.3 CCCC(=O)C(C)C#N 1458a_100000211992_100000703298 [0,1,0,0,0,0|3,0,0]=4 1051 B8R0.3 CCCC(=O)C(C)C#N 1458a_100000753662_100000210303 [0,1,0,0,0,0|3,0,0]=4 1052 B8R0.3 CCCC(=O)C(C)CC 1458a_100000211992_100000758301 [0,1,0,0,0,0|2,0,0]=3 1053 B8R0.3 CCCC(=O)C(C)CC 1458a_100011192722_100000210303 [0,1,0,0,0,0|2,0,0]=3 1054 B8R0.3 CCCC(=O)C(C)OC 1458a_100000743197_100000210303 [0,1,0,0,0,0|1,1,0]=3 1055 B8R0.3 CCCC(=O)C(C)SC 1458a_100000149566_100000210303 [0,1,0,0,0,0|1,0,0]=2 1056 B8R0.3 CCCC(=O)C(O)CC 1458a_100011196387_100000210303 [0,1,0,0,0,0|2,0,0]=3 1057 B8R0.3 CCCC(=O)C(O)CO 1458a_100011215603_100000210303 [0,1,0,0,0,0|3,0,0]=4 1058 B8R0.3 CCCC(=O)N(C)CC 11a_100000225621_100000211992 [0,1,0,0,0,0|2,0,0]=3 1059 B8R0.3 CCCC(=O)N(C)CC 1626a_100000225621_100000211992 [0,1,0,0,0,0|2,0,0]=3 1060 B8R0.3 CCCC(=O)N(C)CC 240690a_100000225621_100000211992 [0,1,0,0,0,0|2,0,0]=3 1061 B8R0.3 CCCC(=O)N(C)CC 527a_100000225621_100000211992 [0,1,0,0,0,0|2,0,0]=3 1062 B8R0.3 CCN(C)C(=O)CC#N 1626a_100000225621_100051588842 [0,1,0,0,0,0|3,0,0]=4 1063 B8R0.3 CCN(C)C(=O)CC#N 240690a_100000225621_100051588842 [0,1,0,0,0,0|3,0,0]=4 1064 B8R0.3 CCN(C)C(=O)CCO 240690a_100000225621_100011216618 [0,1,0,0,0,0|3,0,0]=4 1065 B8R0.3 CCN(C)C(=O)CNC 2230a_106832991635_100000738999 [0,1,0,0,0,0|2,0,0]=3 1066 B8R0.3 CCN(C)C(=O)CNC 34a_100102657272_100000738999 [0,1,0,0,0,0|2,0,0]=3 1067 B8R0.3 CCN(C)C(=O)CNC 7a_106832991635_100000738999 [0,1,0,0,0,0|2,0,0]=3 1068 B8R0.3 CCN(C)C(=O)COC 11a_100000225621_100000210968 [0,1,0,0,0,0|1,1,0]=3 1069 B8R0.3 CCN(C)C(=O)COC 1626a_100000225621_100000210968 [0,1,0,0,0,0|1,1,0]=3 1070 B8R0.3 CCN(C)C(=O)COC 240690a_100000225621_100000210968 [0,1,0,0,0,0|1,1,0]=3 1071 B8R0.3 CCN(C)C(=O)COC 34a_100138415774_100000738999 [0,1,0,0,0,0|1,1,0]=3 1072 B8R0.3 CCN(C)C(=O)COC 527a_100000225621_100000210968 [0,1,0,0,0,0|1,1,0]=3 1073 B8R0.3 CCN(C)C(=O)CSC 11a_100000225621_100000184570 [0,1,0,0,0,0|1,0,0]=2 1074 B8R0.3 CCN(C)C(=O)CSC 1626a_100000225621_100000184570 [0,1,0,0,0,0|1,0,0]=2 1075 B8R0.3 CCN(C)C(=O)CSC 240690a_100000225621_100000184570 [0,1,0,0,0,0|1,0,0]=2 1076 B8R0.3 CCN(C)C(=O)CSC 527a_100000225621_100000184570 [0,1,0,0,0,0|1,0,0]=2 1077 B8R0.3 CCN(C)C(=O)CSC 62a_100000738999_200000210301 [0,1,0,0,0,0|1,0,0]=2 1078 B8R0.3 CCN(C)C(=O)CSC 62a_200000210301_100000738999 [0,1,0,0,0,0|1,0,0]=2 1079 B8R0.3 CCN(C)C(=O)CS[13CH3] 62a_100000738999_200025704644 [0,1,0,0,0,0|1,0,0]=2 1080 B8R0.3 CCN(C)C(=O)CS[13CH3] 62a_200025704644_100000738999 [0,1,0,0,0,0|1,0,0]=2 1081 B8R0.3 CCNC(=O)C(=O)CC 1458a_200011297158_100000210202 [0,1,0,0,0,0|2,0,1]=4 1082 B8R0.3 CCNC(=O)C(=O)NC 1626a_100102657272_200011297158 [0,1,0,0,0,0|2,0,1]=4 1083 B8R0.3 CCNC(=O)C(=O)NC 240690a_100015525214_100011218921 [0,1,0,0,0,0|2,0,1]=4 1084 B8R0.3 CCNC(=O)C(=O)NC 240690a_100102657272_200011297158 [0,1,0,0,0,0|2,0,1]=4 1085 B8R0.3 CCNC(=O)C(=O)NC 527a_100015525214_100011218921 [0,1,0,0,0,0|2,0,1]=4 1086 B8R0.3 CCNC(=O)C(=O)NC 527a_100102657272_200011297158 [0,1,0,0,0,0|2,0,1]=4 1087 B8R0.3 CCNC(=O)C(=O)OC 11a_100015525214_100000024059 [0,1,0,0,0,0|1,1,1]=4 1088 B8R0.3 CCNC(=O)C(=O)OC 240690a_100015525214_100000024059 [0,1,0,0,0,0|1,1,1]=4 1089 B8R0.3 CCNC(=O)C(=O)OC 527a_100015525214_100000024059 [0,1,0,0,0,0|1,1,1]=4 1090 B8R0.3 CCNC(=O)C(C)C#N 11a_100015525214_100000753662 [0,1,0,0,0,0|3,0,0]=4 1091 B8R0.3 CCNC(=O)C(C)C#N 240690a_100015525214_100000753662 [0,1,0,0,0,0|3,0,0]=4 1092 B8R0.3 CCNC(=O)C(C)C#N 527a_100015525214_100000753662 [0,1,0,0,0,0|3,0,0]=4 1093 B8R0.3 CCNC(=O)C(C)CC 11a_100015525214_100011192722 [0,1,0,0,0,0|2,0,0]=3 1094 B8R0.3 CCNC(=O)C(C)CC 240690a_100015525214_100011192722 [0,1,0,0,0,0|2,0,0]=3 1095 B8R0.3 CCNC(=O)C(C)CC 527a_100015525214_100011192722 [0,1,0,0,0,0|2,0,0]=3 1096 B8R0.3 CCNC(=O)C(C)NC 2230a_100000736553_200000210301 [0,1,0,0,0,0|2,0,0]=3 1097 B8R0.3 CCNC(=O)C(C)NC 2230a_106832991635_100000230173 [0,1,0,0,0,0|2,0,0]=3 1098 B8R0.3 CCNC(=O)C(C)NC 34a_100000736553_200000210301 [0,1,0,0,0,0|2,0,0]=3 1099 B8R0.3 CCNC(=O)C(C)NC 34a_100102657272_100000230173 [0,1,0,0,0,0|2,0,0]=3 1100 B8R0.3 CCNC(=O)C(C)NC 7a_106832991635_100000230173 [0,1,0,0,0,0|2,0,0]=3 1101 B8R0.3 CCNC(=O)C(C)N[13CH3] 2230a_100000736553_200025704644 [0,1,0,0,0,0|2,0,0]=3 1102 B8R0.3 CCNC(=O)C(C)N[13CH3] 34a_100000736553_200025704644 [0,1,0,0,0,0|2,0,0]=3 1103 B8R0.3 CCNC(=O)C(C)OC 11a_100015525214_100000743197 [0,1,0,0,0,0|1,1,0]=3 1104 B8R0.3 CCNC(=O)C(C)OC 240690a_100015525214_100000743197 [0,1,0,0,0,0|1,1,0]=3 1105 B8R0.3 CCNC(=O)C(C)OC 34a_100138415774_100000230173 [0,1,0,0,0,0|1,1,0]=3 1106 B8R0.3 CCNC(=O)C(C)OC 527a_100015525214_100000743197 [0,1,0,0,0,0|1,1,0]=3 1107 B8R0.3 CCNC(=O)C(C)SC 11a_100015525214_100000149566 [0,1,0,0,0,0|1,0,0]=2 1108 B8R0.3 CCNC(=O)C(C)SC 240690a_100015525214_100000149566 [0,1,0,0,0,0|1,0,0]=2 1109 B8R0.3 CCNC(=O)C(C)SC 527a_100015525214_100000149566 [0,1,0,0,0,0|1,0,0]=2 1110 B8R0.3 CCNC(=O)C(C)SC 62a_100000230173_200000210301 [0,1,0,0,0,0|1,0,0]=2 1111 B8R0.3 CCNC(=O)C(C)SC 62a_200000210301_100000230173 [0,1,0,0,0,0|1,0,0]=2 1112 B8R0.3 CCNC(=O)C(C)S[13CH3] 62a_100000230173_200025704644 [0,1,0,0,0,0|1,0,0]=2 1113 B8R0.3 CCNC(=O)C(C)S[13CH3] 62a_200025704644_100000230173 [0,1,0,0,0,0|1,0,0]=2 1114 B8R0.3 CCNC(=O)C(O)CC 240690a_100015525214_100011196387 [0,1,0,0,0,0|2,0,0]=3 1115 B8R0.3 CCNC(=O)C(O)CO 240690a_100015525214_100011215603 [0,1,0,0,0,0|3,0,0]=4 1116 B8R0.3 CCNC(=O)N(C)CC 2708a_100015525214_100000225621 [0,1,0,0,0,0|3,0,0]=4 1117 B8R0.3 CCNC(=O)N(C)CC 273464a_100015525214_100000225621 [0,1,0,0,0,0|3,0,0]=4 1118 B8R0.3 CCOC(=O)C(=O)NC 11a_106832991635_100014798877 [0,1,0,0,0,0|1,0,1]=3 1119 B8R0.3 CCOC(=O)C(=O)NC 1626a_100102657272_100014798877 [0,1,0,0,0,0|1,0,1]=3 1120 B8R0.3 CCOC(=O)C(=O)NC 240690a_100102657272_100014798877 [0,1,0,0,0,0|1,0,1]=3 1121 B8R0.3 CCOC(=O)C(C)NC 2230a_106832991635_100011215307 [0,1,0,0,0,0|1,0,0]=2 1122 B8R0.3 CCOC(=O)C(C)NC 34a_100102657272_100011216346 [0,1,0,0,0,0|1,0,0]=2 1123 B8R0.3 CCOC(=O)C(C)NC 7a_106832991635_100011216346 [0,1,0,0,0,0|1,0,0]=2 1124 B8R0.3 CCOC(=O)C(C)OC 34a_100138415774_100011216346 [0,1,0,0,0,0|0,1,0]=2 1125 B8R0.3 CCOC(=O)C(C)SC 62a_100011216346_200000210301 [0,1,0,0,0,0|0,0,0]=1 1126 B8R0.3 CCOC(=O)C(C)SC 62a_200000210301_100011216346 [0,1,0,0,0,0|0,0,0]=1 1127 B8R0.3 CCOC(=O)C(C)S[13CH3] 62a_100011216346_200025704644 [0,1,0,0,0,0|0,0,0]=1 1128 B8R0.3 CCOC(=O)C(C)S[13CH3] 62a_200025704644_100011216346 [0,1,0,0,0,0|0,0,0]=1 1129 B8R0.3 CCOC(=O)C(F)NC 2230a_106832991635_100000760018 [0,1,0,0,0,0|1,0,0]=2 1130 B8R0.3 CCOC(=O)C(F)NC 34a_100102657272_100000760018 [0,1,0,0,0,0|1,0,0]=2 1131 B8R0.3 CCOC(=O)C(F)NC 7a_106832991635_100000040065 [0,1,0,0,0,0|1,0,0]=2 1132 B8R0.3 CCOC(=O)C(F)OC 34a_100138415774_100000760018 [0,1,0,0,0,0|0,1,0]=2 1133 B8R0.3 CCOC(=O)C(F)SC 62a_100000760018_200000210301 [0,1,0,0,0,0|0,0,0]=1 1134 B8R0.3 CCOC(=O)C(F)SC 62a_200000210301_100000760018 [0,1,0,0,0,0|0,0,0]=1 1135 B8R0.3 CCOC(=O)C(F)S[13CH3] 62a_100000760018_200025704644 [0,1,0,0,0,0|0,0,0]=1 1136 B8R0.3 CCOC(=O)C(F)S[13CH3] 62a_200025704644_100000760018 [0,1,0,0,0,0|0,0,0]=1 1137 B8R0.3 CCOC(=O)[C@H](C)OC 7a_100000751109_200000210301 [0,1,0,0,0,0|0,1,0]=2 1138 B8R0.3 CCOC(=O)[C@H](C)O[13CH3] 7a_100000751109_200025704644 [0,1,0,0,0,0|0,1,0]=2 1139 B8R0.3 CCOC(C)C(C)CC 7a_100011215189_100000210202 [0,1,0,0,0,0|2,0,1]=4 1140 B8R0.3 CCSC(=O)[C@H](C)NC 2230a_100103168634_200000210301 [0,1,0,0,0,0|1,1,0]=3 1141 B8R0.3 CCSC(=O)[C@H](C)N[13CH3] 2230a_100103168634_200025704644 [0,1,0,0,0,0|1,1,0]=3 1142 B8R0.3 CNCC(=O)C(=O)OC 34a_100102657272_100011610305 [0,1,0,0,0,0|3,0,0]=4 1143 B8R0.3 CNCC(=O)N(C)OC 2230a_100015207273_200000210301 [0,1,0,0,0,0|3,0,0]=4 1144 B8R0.3 CNCC(=O)N(C)OC 2230a_106832991635_100000764215 [0,1,0,0,0,0|3,0,0]=4 1145 B8R0.3 CNCC(=O)N(C)OC 7a_106832991635_100000764215 [0,1,0,0,0,0|3,0,0]=4 1146 B8R0.3 CNNC(=O)C(C)OC 22a_100016993582_100000743197 [0,1,0,0,0,0|2,1,0]=4 1147 B8R0.3 CNNC(=O)C(C)SC 22a_100016993582_100000149566 [0,1,0,0,0,0|2,0,0]=3 1148 B8R0.3 COC(=O)C(=O)CSC 62a_100011610305_200000210301 [0,1,0,0,0,0|2,0,0]=3 1149 B8R0.3 COC(=O)C(=O)CSC 62a_200000210301_100011610305 [0,1,0,0,0,0|2,0,0]=3 1150 B8R0.3 COC(=O)C(=O)CS[13CH3] 62a_100011610305_200025704644 [0,1,0,0,0,0|2,0,0]=3 1151 B8R0.3 COC(=O)C(=O)CS[13CH3] 62a_200025704644_100011610305 [0,1,0,0,0,0|2,0,0]=3 1152 B8R0.3 COC(C)C(=O)CCF 1458a_100000743197_100011217306 [0,1,0,0,0,0|2,1,0]=4 1153 B8R0.3 COC(C)C(=O)CCO 1458a_100000743197_100000211926 [0,1,0,0,0,0|2,1,0]=4 1154 B8R0.3 COCC(=O)C(=O)OC 34a_100138415774_100011610305 [0,1,0,0,0,0|2,1,0]=4 1155 B8R0.3 CON(C)C(=O)CN[13CH3] 2230a_100015207273_200025704644 [0,1,0,0,0,0|3,0,0]=4 1156 B8R0.3 CON(C)C(=O)CSC 62a_100000764215_200000210301 [0,1,0,0,0,0|2,0,0]=3 1157 B8R0.3 CON(C)C(=O)CSC 62a_200000210301_100000764215 [0,1,0,0,0,0|2,0,0]=3 1158 B8R0.3 CON(C)C(=O)CS[13CH3] 62a_100000764215_200025704644 [0,1,0,0,0,0|2,0,0]=3 1159 B8R0.3 CON(C)C(=O)CS[13CH3] 62a_200025704644_100000764215 [0,1,0,0,0,0|2,0,0]=3 1160 B8R0.3 CSC(C)C(=O)CC#N 1458a_100000149566_100011214920 [0,1,0,0,0,0|2,0,1]=4 1161 B8R0.3 CSC(C)C(=O)CCF 1458a_100000149566_100011217306 [0,1,0,0,0,0|2,0,0]=3 1162 B8R0.3 CSC(C)C(=O)CCO 1458a_100000149566_100000211926 [0,1,0,0,0,0|2,0,0]=3 1163 B8R0.3 CSCC(=O)C(C)C#N 1458a_100000184570_100000703298 [0,1,0,0,0,0|2,0,1]=4 1164 B8R0.5 C#CCC(=O)CC(C)C 1458a_100000210554_100000184674 [0,1,0,0,0,0|2,0,1]=4 1165 B8R0.5 C#CCC(=O)CC(C)C 1458a_100011220946_100000210624 [0,1,0,0,0,0|2,0,1]=4 1166 B8R0.5 C#CCC(=O)CC(C)O 1458a_100011220946_100011218427 [0,1,0,0,0,0|2,0,1]=4 1167 B8R0.5 C#CCC(=O)C[C@@H](C)O 1458a_100011933948_100000184674 [0,1,0,0,0,0|2,0,1]=4 1168 B8R0.5 C#CCC(=O)NC(C)C 1626a_100138425928_100011220946 [0,1,0,0,0,0|2,0,1]=4 1169 B8R0.5 C#CCC(=O)NC(C)C 527a_100138425928_100011220946 [0,1,0,0,0,0|2,0,1]=4 1170 B8R0.5 C=C(C)CC(=O)C#CC 1458a_100000763181_100000748629 [0,1,0,0,0,0|2,0,1]=4 1171 B8R0.5 C=C(C)CC(=O)C=CC 1458a_100000210699_100000748629 [0,1,0,0,0,0|2,0,1]=4 1172 B8R0.5 C=C(C)CC(=O)CCC 1458a_100000211992_100000748629 [0,1,0,0,0,0|2,0,0]=3 1173 B8R0.5 C=C(C)CC(=O)CCO 1458a_100011216618_100000748629 [0,1,0,0,0,0|3,0,0]=4 1174 B8R0.5 C=C(C)CC(=O)COC 1458a_100000210968_100000748629 [0,1,0,0,0,0|1,1,1]=4 1175 B8R0.5 C=C(C)CC(=O)CSC 1458a_100000184570_100000748629 [0,1,0,0,0,0|1,0,1]=3 1176 B8R0.5 C=C(CCC)CC(=O)C 1458a_100000138376_200000210301 [0,1,0,0,0,0|3,0,0]=4 1177 B8R0.5 C=C(CCC)CC(=O)[13CH3] 1458a_100000138376_200025704644 [0,1,0,0,0,0|3,0,0]=4 1178 B8R0.5 C=C(F)CC(=O)CCC 1458a_100000211992_100009893438 [0,1,0,0,0,0|2,0,1]=4 1179 B8R0.5 C=C(F)CC(=O)CSC 1458a_100000184570_100009893438 [0,1,0,0,0,0|1,0,2]=4 1180 B8R0.5 C=CCC(=O)CC(C)C 1458a_100000210193_100000210624 [0,1,0,0,0,0|2,0,1]=4 1181 B8R0.5 C=CCC(=O)CC(C)C 1458a_100000210554_100000210623 [0,1,0,0,0,0|2,0,1]=4 1182 B8R0.5 C=CCC(=O)CC(C)O 1458a_100000210193_100011218427 [0,1,0,0,0,0|2,0,1]=4 1183 B8R0.5 C=CCC(=O)C[C@@H](C)O 1458a_100011933948_100000210623 [0,1,0,0,0,0|2,0,1]=4 1184 B8R0.5 C=CCC(=O)NC(C)C 11a_100138425928_100000210193 [0,1,0,0,0,0|2,0,1]=4 1185 B8R0.5 C=CCC(=O)NC(C)C 1626a_100138425928_100000210193 [0,1,0,0,0,0|2,0,1]=4 1186 B8R0.5 C=CCC(=O)NC(C)C 240690a_100138425928_100000210193 [0,1,0,0,0,0|2,0,1]=4 1187 B8R0.5 C=CCC(=O)NC(C)C 527a_100138425928_100000210193 [0,1,0,0,0,0|2,0,1]=4 1188 B8R0.5 C=COC(=O)CC(=O)C 1458a_100000070787_100000036128 [0,1,0,0,0,0|1,0,2]=4 1189 B8R0.5 C=COC(=O)CN(C)C 2230a_100102631434_100000036128 [0,1,0,0,0,0|1,0,2]=4 1190 B8R0.5 C=COC(=O)CN(C)C 269982a_100102631434_100000036128 [0,1,0,0,0,0|1,0,2]=4 1191 B8R0.5 CC#CC(=O)CC(C)C 1458a_100000763181_100000210624 [0,1,0,0,0,0|2,0,1]=4 1192 B8R0.5 CC#CC(=O)CC(C)O 1458a_100000763181_100011218427 [0,1,0,0,0,0|2,0,1]=4 1193 B8R0.5 CC(=O)CC(=O)NCO 1458a_100000070787_100000185155 [0,1,0,0,0,0|3,0,0]=4 1194 B8R0.5 CC(=O)NC(=O)CS[13CH3] 62a_200025704644_100000183797 [0,1,0,0,0,0|1,0,1]=3 1195 B8R0.5 CC(C)CC(=O)CC#N 1458a_100000210554_100011214920 [0,1,0,0,0,0|3,0,0]=4 1196 B8R0.5 CC(C)CC(=O)CC#N 1458a_100051588842_100000210624 [0,1,0,0,0,0|3,0,0]=4 1197 B8R0.5 CC(C)CC(=O)CCF 1458a_100000210554_100011217306 [0,1,0,0,0,0|3,0,0]=4 1198 B8R0.5 CC(C)CC(=O)CCO 1458a_100000210554_100000211926 [0,1,0,0,0,0|3,0,0]=4 1199 B8R0.5 CC(C)CC(=O)CCO 1458a_100011216618_100000210624 [0,1,0,0,0,0|3,0,0]=4 1200 B8R0.5 CC(C)NC(=O)CC#N 1626a_100138425928_100051588842 [0,1,0,0,0,0|3,0,0]=4 1201 B8R0.5 CC(C)NC(=O)CC#N 240690a_100138425928_100051588842 [0,1,0,0,0,0|3,0,0]=4 1202 B8R0.5 CC(C)NC(=O)CCO 240690a_100138425928_100011216618 [0,1,0,0,0,0|3,0,0]=4 1203 B8R0.5 CC(C)NC(=O)CN[13CH3] 2230a_100000168517_200025704644 [0,1,0,0,0,0|2,0,0]=3 1204 B8R0.5 CC(C)NC(=O)CS[13CH3] 62a_100000183996_200025704644 [0,1,0,0,0,0|1,0,0]=2 1205 B8R0.5 CC(C)NC(=O)CS[13CH3] 62a_200025704644_100000183996 [0,1,0,0,0,0|1,0,0]=2 1206 B8R0.5 CC(C)OC(=O)CS[13CH3] 62a_100011215430_200025704644 [0,1,0,0,0,0|0,0,0]=1 1207 B8R0.5 CC(C)OC(=O)CS[13CH3] 62a_200025704644_100011215430 [0,1,0,0,0,0|0,0,0]=1 1208 B8R0.5 CC(O)CC(=O)CC#N 1458a_100051588842_100011218427 [0,1,0,0,0,0|3,0,0]=4 1209 B8R0.5 CC(O)CC(=O)CCO 1458a_100011216618_100011218427 [0,1,0,0,0,0|3,0,0]=4 1210 B8R0.5 CC=CC(=O)CC(C)C 1458a_100000210699_100000210624 [0,1,0,0,0,0|2,0,1]=4 1211 B8R0.5 CC=CC(=O)CC(C)O 1458a_100000210699_100011218427 [0,1,0,0,0,0|2,0,1]=4 1212 B8R0.5 CC=CC(=O)NC(C)C 11a_100138425928_100000210699 [0,1,0,0,0,0|2,0,1]=4 1213 B8R0.5 CC=CC(=O)NC(C)C 1626a_100138425928_100000210699 [0,1,0,0,0,0|2,0,1]=4 1214 B8R0.5 CC=CC(=O)NC(C)C 240690a_100138425928_100000210699 [0,1,0,0,0,0|2,0,1]=4 1215 B8R0.5 CCCC(=O)C=C(C)C 1458a_100000211388_100000210303 [0,1,0,0,0,0|2,0,1]=4 1216 B8R0.5 CCCC(=O)C=C(C)Cl 1458a_200042562850_100000210303 [0,1,0,0,0,0|2,0,1]=4 1217 B8R0.5 CCCC(=O)C=C(C)I 1458a_100025716642_100000210303 [0,1,0,0,0,0|2,0,1]=4 1218 B8R0.5 CCCC(=O)CC(=O)C 1458a_100000070787_100000747444 [0,1,0,0,0,0|2,0,0]=3 1219 B8R0.5 CCCC(=O)CC(=O)N 1458a_100000211992_100000187820 [0,1,0,0,0,0|3,0,0]=4 1220 B8R0.5 CCCC(=O)CC(=O)N 1458a_100134613110_100000210303 [0,1,0,0,0,0|3,0,0]=4 1221 B8R0.5 CCCC(=O)CC(=O)[O-] 1458a_100000211992_100020667443 [0,1,0,0,0,0|3,0,0]=4 1222 B8R0.5 CCCC(=O)CC(C)C 1458a_100000210554_100000210303 [0,1,0,0,0,0|2,0,0]=3 1223 B8R0.5 CCCC(=O)CC(C)C 1458a_100000211992_100000210624 [0,1,0,0,0,0|2,0,0]=3 1224 B8R0.5 CCCC(=O)CC(C)O 1458a_100000211992_100011218427 [0,1,0,0,0,0|2,0,0]=3 1225 B8R0.5 CCCC(=O)CC(F)F 1458a_100000211992_100011934356 [0,1,0,0,0,0|3,0,0]=4 1226 B8R0.5 CCCC(=O)CN(C)C 1458a_100000750896_100000210303 [0,1,0,0,0,0|2,0,0]=3 1227 B8R0.5 CCCC(=O)CN(C)C 2230a_100102631434_100000747444 [0,1,0,0,0,0|2,0,0]=3 1228 B8R0.5 CCCC(=O)CN(C)C 269982a_100102631434_100000747444 [0,1,0,0,0,0|2,0,0]=3 1229 B8R0.5 CCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210303 [0,1,0,0,0,0|2,0,0]=3 1230 B8R0.5 CCCC(=O)C[N+](=O)[O-] 1458a_100000211992_100000761209 [0,1,0,0,0,0|3,0,0]=4 1231 B8R0.5 CCCC(=O)C[S+](C)C 1458a_200159257847_100000210303 [0,1,0,0,0,0|1,0,1]=3 1232 B8R0.5 CCCC(=O)NC(C)C 11a_100138425928_100000211992 [0,1,0,0,0,0|2,0,0]=3 1233 B8R0.5 CCCC(=O)NC(C)C 1626a_100138425928_100000211992 [0,1,0,0,0,0|2,0,0]=3 1234 B8R0.5 CCCC(=O)NC(C)C 240690a_100138425928_100000211992 [0,1,0,0,0,0|2,0,0]=3 1235 B8R0.5 CCCC(=O)NC(C)C 527a_100138425928_100000211992 [0,1,0,0,0,0|2,0,0]=3 1236 B8R0.5 CCCC(C)OC(C)C 34a_100000212225_100000766640 [0,1,0,0,0,0|2,0,1]=4 1237 B8R0.5 CCCC(C)OC(C)C 34a_100000764384_100000210206 [0,1,0,0,0,0|2,0,1]=4 1238 B8R0.5 CCCC(C)OC(C)C 7a_100000764384_100000210206 [0,1,0,0,0,0|2,0,1]=4 1239 B8R0.5 CCCS(=O)CC(=O)C 1458a_100011387404_200000210301 [0,1,0,0,0,0|3,0,0]=4 1240 B8R0.5 CCCS(=O)CC(=O)[13CH3] 1458a_100011387404_200025704644 [0,1,0,0,0,0|3,0,0]=4 1241 B8R0.5 CCNC(=O)C=C(C)C 11a_100015525214_100000211388 [0,1,0,0,0,0|2,0,1]=4 1242 B8R0.5 CCNC(=O)C=C(C)C 240690a_100015525214_100000211388 [0,1,0,0,0,0|2,0,1]=4 1243 B8R0.5 CCNC(=O)C=C(C)Cl 11a_100015525214_200042562850 [0,1,0,0,0,0|2,0,1]=4 1244 B8R0.5 CCNC(=O)C=C(C)Cl 240690a_100015525214_200042562850 [0,1,0,0,0,0|2,0,1]=4 1245 B8R0.5 CCNC(=O)C=C(C)I 11a_100015525214_100025716642 [0,1,0,0,0,0|2,0,1]=4 1246 B8R0.5 CCNC(=O)CC(=O)C 1458a_100000070787_100000183381 [0,1,0,0,0,0|2,0,0]=3 1247 B8R0.5 CCNC(=O)CC(=O)N 240690a_100015525214_100134613110 [0,1,0,0,0,0|3,0,0]=4 1248 B8R0.5 CCNC(=O)CC(=O)N 527a_100015525214_100134613110 [0,1,0,0,0,0|3,0,0]=4 1249 B8R0.5 CCNC(=O)CC(C)C 11a_100015525214_100000210554 [0,1,0,0,0,0|2,0,0]=3 1250 B8R0.5 CCNC(=O)CC(C)C 240690a_100015525214_100000210554 [0,1,0,0,0,0|2,0,0]=3 1251 B8R0.5 CCNC(=O)CC(C)C 527a_100015525214_100000210554 [0,1,0,0,0,0|2,0,0]=3 1252 B8R0.5 CCNC(=O)CN(C)C 11a_100015525214_100000750896 [0,1,0,0,0,0|2,0,0]=3 1253 B8R0.5 CCNC(=O)CN(C)C 2230a_100000741943_200000210301 [0,1,0,0,0,0|2,0,0]=3 1254 B8R0.5 CCNC(=O)CN(C)C 2230a_100102631434_100000183381 [0,1,0,0,0,0|2,0,0]=3 1255 B8R0.5 CCNC(=O)CN(C)C 240690a_100015525214_100000750896 [0,1,0,0,0,0|2,0,0]=3 1256 B8R0.5 CCNC(=O)CN(C)C 269982a_100000741943_200000210301 [0,1,0,0,0,0|2,0,0]=3 1257 B8R0.5 CCNC(=O)CN(C)C 269982a_100102631434_100000183381 [0,1,0,0,0,0|2,0,0]=3 1258 B8R0.5 CCNC(=O)CN(C)C 527a_100015525214_100000750896 [0,1,0,0,0,0|2,0,0]=3 1259 B8R0.5 CCNC(=O)CN(C)[13CH3] 2230a_100000741943_200025704644 [0,1,0,0,0,0|2,0,0]=3 1260 B8R0.5 CCNC(=O)CN(C)[13CH3] 269982a_100000741943_200025704644 [0,1,0,0,0,0|2,0,0]=3 1261 B8R0.5 CCNC(=O)C[C@@H](C)O 240690a_100015525214_100011933948 [0,1,0,0,0,0|2,0,0]=3 1262 B8R0.5 CCNC(=O)C[S+](C)C 11a_100015525214_200159257847 [0,1,0,0,0,0|1,0,1]=3 1263 B8R0.5 CCNC(=O)C[S+](C)C 240690a_100015525214_200159257847 [0,1,0,0,0,0|1,0,1]=3 1264 B8R0.5 CCNC(=O)C[S+](C)C 527a_100015525214_200159257847 [0,1,0,0,0,0|1,0,1]=3 1265 B8R0.5 CCNC(=O)NC(C)C 2708a_100015525214_100138425928 [0,1,0,0,0,0|3,0,0]=4 1266 B8R0.5 CCNC(=O)NC(C)C 2708a_100138425928_100015525214 [0,1,0,0,0,0|3,0,0]=4 1267 B8R0.5 CCNC(=O)NC(C)C 273464a_100138425928_100015525214 [0,1,0,0,0,0|3,0,0]=4 1268 B8R0.5 CCNC(=O)NC(C)C 512a_100015525214_100138425928 [0,1,0,0,0,0|3,0,0]=4 1269 B8R0.5 CCNC(=O)NC(C)C 512a_100138425928_100015525214 [0,1,0,0,0,0|3,0,0]=4 1270 B8R0.5 CCOC(=O)CC(=O)C 1458a_100000070787_100000188475 [0,1,0,0,0,0|1,0,0]=2 1271 B8R0.5 CCOC(=O)CC(=O)C 1458a_100000243816_200000210301 [0,1,0,0,0,0|1,0,0]=2 1272 B8R0.5 CCOC(=O)CC(=O)[13CH3] 1458a_100000243816_200025704644 [0,1,0,0,0,0|1,0,0]=2 1273 B8R0.5 CCOC(=O)CN(C)C 2230a_100000220588_200000210301 [0,1,0,0,0,0|1,0,0]=2 1274 B8R0.5 CCOC(=O)CN(C)C 2230a_100102631434_100000188475 [0,1,0,0,0,0|1,0,0]=2 1275 B8R0.5 CCOC(=O)CN(C)C 269982a_100102631434_100000188475 [0,1,0,0,0,0|1,0,0]=2 1276 B8R0.5 CCOC(=O)CN(C)[13CH3] 2230a_100000220588_200025704644 [0,1,0,0,0,0|1,0,0]=2 1277 B8R0.5 CCOC(C)CC(C)C 34a_100000211805_100000210202 [0,1,0,0,0,0|2,0,1]=4 1278 B8R0.5 CCOC(C)CC(C)C 34a_100121572206_100000731052 [0,1,0,0,0,0|2,0,1]=4 1279 B8R0.5 CCOC(C)CC(C)C 7a_100000211805_100000210202 [0,1,0,0,0,0|2,0,1]=4 1280 B8R0.5 CN(C)CC(=O)CCF 1458a_100000750896_100011217306 [0,1,0,0,0,0|3,0,0]=4 1281 B8R0.5 CN(C)CC(=O)CCO 1458a_100000750896_100000211926 [0,1,0,0,0,0|3,0,0]=4 1282 B8R0.5 CN(C)CC(=O)NCO 2230a_100102631434_100000185155 [0,1,0,0,0,0|3,0,0]=4 1283 B8R0.5 CN(C)CC(=O)NCO 269982a_100102631434_100000185155 [0,1,0,0,0,0|3,0,0]=4 1284 B8R0.5 CNCC(=O)NC(=O)C 7a_106832991635_100000183797 [0,1,0,0,0,0|2,0,1]=4 1285 B8R0.5 CNCC(=O)NC(C)C 2230a_100000168517_200000210301 [0,1,0,0,0,0|2,0,0]=3 1286 B8R0.5 CNCC(=O)NC(C)C 2230a_106832991635_100000183996 [0,1,0,0,0,0|2,0,0]=3 1287 B8R0.5 CNCC(=O)NC(C)C 34a_100102657272_100000183996 [0,1,0,0,0,0|2,0,0]=3 1288 B8R0.5 CNCC(=O)NC(C)C 7a_106832991635_100000183996 [0,1,0,0,0,0|2,0,0]=3 1289 B8R0.5 CNCC(=O)OC(C)C 2230a_106832991635_100011215430 [0,1,0,0,0,0|1,0,0]=2 1290 B8R0.5 CNCC(=O)OC(C)C 34a_100102657272_100011215430 [0,1,0,0,0,0|1,0,0]=2 1291 B8R0.5 CNCC(=O)OC(C)C 7a_106832991635_100011215430 [0,1,0,0,0,0|1,0,0]=2 1292 B8R0.5 CNNC(=O)CC(C)C 22a_100016993582_100000210554 [0,1,0,0,0,0|3,0,0]=4 1293 B8R0.5 CNNC(=O)CN(C)C 22a_100016993582_100000750896 [0,1,0,0,0,0|3,0,0]=4 1294 B8R0.5 CNNC(=O)C[C@@H](C)O 22a_100016993582_100011933948 [0,1,0,0,0,0|3,0,0]=4 1295 B8R0.5 CNNC(=O)C[S+](C)C 22a_100016993582_200159257847 [0,1,0,0,0,0|2,0,1]=4 1296 B8R0.5 CNNC(=O)NC(C)C 273464a_100138425928_100016993582 [0,1,0,0,0,0|3,0,0]=4 1297 B8R0.5 CNNC(=O)NC(C)C 512a_100016993582_100138425928 [0,1,0,0,0,0|3,0,0]=4 1298 B8R0.5 CNNC(=O)NC(C)C 512a_100138425928_100016993582 [0,1,0,0,0,0|3,0,0]=4 1299 B8R0.5 COCC(=O)CC(C)C 1458a_100000210968_100000210624 [0,1,0,0,0,0|1,1,0]=3 1300 B8R0.5 COCC(=O)CC(C)O 1458a_100000210968_100011218427 [0,1,0,0,0,0|1,1,0]=3 1301 B8R0.5 COCC(=O)CC(F)F 1458a_100000210968_100011934356 [0,1,0,0,0,0|2,1,0]=4 1302 B8R0.5 COCC(=O)NC(C)C 11a_100138425928_100000210968 [0,1,0,0,0,0|1,1,0]=3 1303 B8R0.5 COCC(=O)NC(C)C 1626a_100138425928_100000210968 [0,1,0,0,0,0|1,1,0]=3 1304 B8R0.5 COCC(=O)NC(C)C 240690a_100138425928_100000210968 [0,1,0,0,0,0|1,1,0]=3 1305 B8R0.5 COCC(=O)NC(C)C 34a_100138415774_100000183996 [0,1,0,0,0,0|1,1,0]=3 1306 B8R0.5 COCC(=O)NC(C)C 527a_100138425928_100000210968 [0,1,0,0,0,0|1,1,0]=3 1307 B8R0.5 COCC(=O)OC(C)C 34a_100138415774_100011215430 [0,1,0,0,0,0|0,1,0]=2 1308 B8R0.5 COCC(C)OC(C)C 34a_100000212225_100000765312 [0,1,0,0,0,0|1,1,1]=4 1309 B8R0.5 COC[C@@H](C)OC(C)C 34a_100011934205_100000210206 [0,1,0,0,0,0|1,1,1]=4 1310 B8R0.5 CSCC(=O)CC(=O)N 1458a_100000184570_100000187820 [0,1,0,0,0,0|2,0,1]=4 1311 B8R0.5 CSCC(=O)CC(=O)[O-] 1458a_100000184570_100020667443 [0,1,0,0,0,0|2,0,1]=4 1312 B8R0.5 CSCC(=O)CC(C)C 1458a_100000184570_100000210624 [0,1,0,0,0,0|1,0,0]=2 1313 B8R0.5 CSCC(=O)CC(C)O 1458a_100000184570_100011218427 [0,1,0,0,0,0|1,0,0]=2 1314 B8R0.5 CSCC(=O)CC(F)F 1458a_100000184570_100011934356 [0,1,0,0,0,0|2,0,0]=3 1315 B8R0.5 CSCC(=O)C[N+](=O)[O-] 1458a_100000184570_100000761209 [0,1,0,0,0,0|3,0,0]=4 1316 B8R0.5 CSCC(=O)NC(=O)C 62a_200000210301_100000183797 [0,1,0,0,0,0|1,0,1]=3 1317 B8R0.5 CSCC(=O)NC(=O)N 62a_200000210301_100000182717 [0,1,0,0,0,0|2,0,1]=4 1318 B8R0.5 CSCC(=O)NC(C)C 11a_100138425928_100000184570 [0,1,0,0,0,0|1,0,0]=2 1319 B8R0.5 CSCC(=O)NC(C)C 1626a_100138425928_100000184570 [0,1,0,0,0,0|1,0,0]=2 1320 B8R0.5 CSCC(=O)NC(C)C 240690a_100138425928_100000184570 [0,1,0,0,0,0|1,0,0]=2 1321 B8R0.5 CSCC(=O)NC(C)C 527a_100138425928_100000184570 [0,1,0,0,0,0|1,0,0]=2 1322 B8R0.5 CSCC(=O)NC(C)C 62a_100000183996_200000210301 [0,1,0,0,0,0|1,0,0]=2 1323 B8R0.5 CSCC(=O)NC(C)C 62a_200000210301_100000183996 [0,1,0,0,0,0|1,0,0]=2 1324 B8R0.5 CSCC(=O)OC(C)C 62a_100011215430_200000210301 [0,1,0,0,0,0|0,0,0]=1 1325 B8R0.5 CSCC(=O)OC(C)C 62a_200000210301_100011215430 [0,1,0,0,0,0|0,0,0]=1 1326 B8R0.5 CSCN(C)CC(C)C 2230a_100000747067_100011218213 [0,1,0,0,0,0|3,0,0]=4 1327 B8R0.5 CSCN(C)CC(C)C 269982a_100000747067_100011218213 [0,1,0,0,0,0|3,0,0]=4 1328 B8R0.5 CSCN(C)CC(C)O 2230a_100000227577_100011218213 [0,1,0,0,0,0|3,0,0]=4 1329 B8R0.5 CSCN(C)CC(C)O 269982a_100000227577_100011218213 [0,1,0,0,0,0|3,0,0]=4 1330 B8R0.5 C[C@@H](O)CC(=O)CC#N 1458a_100011933948_100011214920 [0,1,0,0,0,0|3,0,0]=4 1331 B8R0.5 C[C@@H](O)CC(=O)CCF 1458a_100011933948_100011217306 [0,1,0,0,0,0|3,0,0]=4 1332 B8R0.5 C[C@@H](O)CC(=O)CCO 1458a_100011933948_100000211926 [0,1,0,0,0,0|3,0,0]=4 1333 B8R0.5 C[S+](C)CC(=O)CCF 1458a_200159257847_100011217306 [0,1,0,0,0,0|2,0,1]=4 1334 B8R0.5 C[S+](C)CC(=O)CCO 1458a_200159257847_100000211926 [0,1,0,0,0,0|2,0,1]=4 1335 B8R0.5 [13CH3]SCC(=O)NC(=O)N 62a_200025704644_100000182717 [0,1,0,0,0,0|2,0,1]=4 1336 B8R0.22 C#CC(CCC)OCC 34a_200011217317_100000210202 [0,1,0,0,0,0|2,0,1]=4 1337 B8R0.22 C#CC(CCC)OCC 7a_200011217317_100000210202 [0,1,0,0,0,0|2,0,1]=4 1338 B8R0.22 C=CC(CCC)OCC 34a_100011216692_100000210202 [0,1,0,0,0,0|2,0,1]=4 1339 B8R0.22 C=CC(CCC)OCC 7a_100011216692_100000210202 [0,1,0,0,0,0|2,0,1]=4 1340 B8R0.22 CCCC(C#N)OCC 34a_100000686963_100000210202 [0,1,0,0,0,0|2,0,1]=4 1341 B8R0.22 CCCC(C#N)OCC 7a_100000686963_100000210202 [0,1,0,0,0,0|2,0,1]=4 1342 B8R0.22 CCCC(CC)OCC 34a_100000687864_100000210202 [0,1,0,0,0,0|2,0,1]=4 1343 B8R0.22 CCCC(CC)OCC 7a_100000687864_100000210202 [0,1,0,0,0,0|2,0,1]=4 1344 B8R0.22 CCCN(CC)CSC 2230a_100000226822_100011218213 [0,1,0,0,0,0|3,0,0]=4 1345 B8R0.22 CCCN(CC)CSC 269982a_100000226822_100011218213 [0,1,0,0,0,0|3,0,0]=4 1346 B8R0.22 CCOC(CC)CNC 2230a_100015183923_200000210301 [0,1,0,0,0,0|2,0,1]=4 1347 B8R0.22 CCOC(CC)CNC 34a_100015183923_200000210301 [0,1,0,0,0,0|2,0,1]=4 1348 B8R0.22 CCOC(CC)CN[13CH3] 2230a_100015183923_200025704644 [0,1,0,0,0,0|2,0,1]=4 1349 B8R0.22 CCOC(CC)CN[13CH3] 34a_100015183923_200025704644 [0,1,0,0,0,0|2,0,1]=4 1350 B8R0.22 CCOC(CC)COC 7a_200011214946_100000210202 [0,1,0,0,0,0|1,1,1]=4 1351 B8R0.22 CCOC(CCl)COC 34a_100011215053_100000210202 [0,1,0,0,0,0|1,1,1]=4 1352 B8R0.22 CCOC(CN)COC 34a_100000756049_100000210202 [0,1,0,0,0,0|1,1,1]=4 1353 B8R0.30 CCCC(C)(C)OCC 7a_100000748436_100000210202 [0,1,0,0,0,0|2,0,1]=4 1354 B8R0.30 CCCS(=O)(=O)NCC 270084a_100015525214_100000211391 [0,1,0,0,0,0|3,0,0]=4 1355 B8R0.30 CCCS(=O)(=O)NCC 274078a_100015525214_100000211391 [0,1,0,0,0,0|3,0,0]=4 1356 B8R0.30 CCCS(=O)(=O)NCC 40a_100015525214_100000054278 [0,1,0,0,0,0|3,0,0]=4 1357 B8R0.30 CCNC(C)(C)CSC 2230a_100000759623_100000210202 [0,1,0,0,0,0|2,0,1]=4 1358 B8R0.30 CCNC(C)(C)CSC 7a_100000759623_100000210202 [0,1,0,0,0,0|2,0,1]=4 1359 B8R0.30 CCO[Si](C)(C)CSC 62a_200000065227_200000210301 [0,1,0,0,0,0|1,1,0]=3 1360 B8R0.30 CCO[Si](C)(C)CSC 62a_200000210301_200000065227 [0,1,0,0,0,0|1,1,0]=3 1361 B8R0.30 CCO[Si](C)(C)CS[13CH3] 62a_200000065227_200025704644 [0,1,0,0,0,0|1,1,0]=3 1362 B8R0.30 CCO[Si](C)(C)CS[13CH3] 62a_200025704644_200000065227 [0,1,0,0,0,0|1,1,0]=3 1363 B8R1.4 CC1=CCCN(C1)C 2230a_100000725631_200000210301 [0,0,0,1,0,0|3,0,0]=4 1364 B8R1.4 CC1=CCCN(C1)C 269982a_100000725631_200000210301 [0,0,0,1,0,0|3,0,0]=4 1365 B8R1.4 CC1=CCCN(C1)C 34a_100000725631_200000210301 [0,0,0,1,0,0|3,0,0]=4 1366 B8R1.4 CC1=CCCN(C1)[13CH3] 2230a_100000725631_200025704644 [0,0,0,1,0,0|3,0,0]=4 1367 B8R1.4 CC1=CCCN(C1)[13CH3] 269982a_100000725631_200025704644 [0,0,0,1,0,0|3,0,0]=4 1368 B8R1.4 CC1=CCCN(C1)[13CH3] 34a_100000725631_200025704644 [0,0,0,1,0,0|3,0,0]=4 1369 B8R1.4 CC1CN(CCO1)C 2230a_100000729577_200000210301 [0,0,0,1,0,0|2,0,1]=4 1370 B8R1.4 CC1CN(CCO1)C 269982a_100000729577_200000210301 [0,0,0,1,0,0|2,0,1]=4 1371 B8R1.4 CC1CN(CCO1)C 34a_100000729577_200000210301 [0,0,0,1,0,0|2,0,1]=4 1372 B8R1.4 CC1CN(CCO1)[13CH3] 2230a_100000729577_200025704644 [0,0,0,1,0,0|2,0,1]=4 1373 B8R1.4 CC1CN(CCO1)[13CH3] 269982a_100000729577_200025704644 [0,0,0,1,0,0|2,0,1]=4 1374 B8R1.4 CC1CN(CCO1)[13CH3] 34a_100000729577_200025704644 [0,0,0,1,0,0|2,0,1]=4 1375 B8R1.4 CN1CCNC(=O)C1 2230a_100000184651_200000210301 [0,0,0,1,0,0|2,0,0]=3 1376 B8R1.4 CN1CCOC(=O)C1 2230a_100000131268_200000210301 [0,0,0,1,0,0|1,0,0]=2 1377 B8R1.4 CN1CCOC(C1)O 2230a_100000688207_200000210301 [0,0,0,1,0,0|1,0,2]=4 1378 B8R1.4 CN1CCOC(C1)O 269982a_100000688207_200000210301 [0,0,0,1,0,0|1,0,2]=4 1379 B8R1.4 [13CH3]N1CCNC(=O)C1 2230a_100000184651_200025704644 [0,0,0,1,0,0|2,0,0]=3 1380 B8R1.4 [13CH3]N1CCOC(=O)C1 2230a_100000131268_200025704644 [0,0,0,1,0,0|1,0,0]=2 1381 B8R1.4 [13CH3]N1CCOC(C1)O 2230a_100000688207_200025704644 [0,0,0,1,0,0|1,0,2]=4 1382 B8R1.4 [13CH3]N1CCOC(C1)O 269982a_100000688207_200025704644 [0,0,0,1,0,0|1,0,2]=4 1383 B8R1.6 CCOC1CN(C1)C 269982a_100000732654_200000210301 [0,0,0,1,0,0|2,0,1]=4 1384 B8R1.6 CCOC1CN(C1)C 34a_100000732654_200000210301 [0,0,0,1,0,0|2,0,1]=4 1385 B8R1.6 CCOC1CN(C1)[13CH3] 269982a_100000732654_200025704644 [0,0,0,1,0,0|2,0,1]=4 1386 B8R1.6 CCOC1CN(C1)[13CH3] 34a_100000732654_200025704644 [0,0,0,1,0,0|2,0,1]=4 1387 B8R1.6 CSCN1CC(C1)C 2230a_100000702820_100011218213 [0,0,0,1,0,0|3,0,0]=4 1388 B8R1.6 CSCN1CC(C1)C 269982a_100000702820_100011218213 [0,0,0,1,0,0|3,0,0]=4 1389 B8R1.6 CSCN1CC(C1)C 34a_100000702820_100011218213 [0,0,0,1,0,0|3,0,0]=4 1390 B8R1.8 CCCN1CCSC1 2230a_100011215254_100000210303 [0,0,0,1,0,0|3,0,0]=4 1391 B8R1.8 CCCN1CCSC1 269982a_100011215254_100000210303 [0,0,0,1,0,0|3,0,0]=4 1392 B8R1.8 CCNC1CCSC1 270004a_100015525214_100000212027 [0,0,0,1,0,0|2,0,1]=4 1393 B8R1.8 CCOC1CCCC1 34a_100000210269_100000210202 [0,0,0,1,0,0|2,0,1]=4 1394 B8R1.8 CCOC1CCCC1 34a_100121572206_100000179811 [0,0,0,1,0,0|2,0,1]=4 1395 B8R1.8 CCOC1CCCC1 7a_100000210269_100000210202 [0,0,0,1,0,0|2,0,1]=4 1396 B8R1.8 CCOC1CCCO1 34a_100000085407_100000210202 [0,0,0,1,0,0|1,0,2]=4 1397 B8R1.8 CCOC1CCOC1 34a_100121572206_100000690089 [0,0,0,1,0,0|1,1,1]=4 1398 B8R1.8 CCOC1CCSC1 7a_100011232664_100000210202 [0,0,0,1,0,0|1,0,1]=3 1399 B8R1.8 CCO[C@H]1CCOC1 34a_100000717292_100000210202 [0,0,0,1,0,0|1,1,1]=4 1400 B8R1.8 CCOc1ccsc1 34a_100000106738_100000210202 [0,0,0,1,0,0|1,0,2]=4 1401 B8R1.8 CCOc1ccsc1 7a_100000106738_100000210202 [0,0,0,1,0,0|1,0,2]=4 1402 B8R1.8 CNCC1=NCCN1 34a_100102657272_100000737910 [0,0,0,1,0,0|3,0,0]=4 1403 B8R1.8 CNCC1=NCCN1 7a_106832991635_100000737910 [0,0,0,1,0,0|3,0,0]=4 1404 B8R1.8 CNCC1CCCO1 2230a_106832991635_100000203698 [0,0,0,1,0,0|2,0,1]=4 1405 B8R1.8 CNCC1CCCO1 7a_106832991635_100000203698 [0,0,0,1,0,0|2,0,1]=4 1406 B8R1.8 CNCC1OCCO1 2230a_100000036311_200000210301 [0,0,0,1,0,0|1,0,2]=4 1407 B8R1.8 CNCC1OCCO1 2230a_106832991635_100000755774 [0,0,0,1,0,0|1,0,2]=4 1408 B8R1.8 CNCC1OCCO1 34a_100000036311_200000210301 [0,0,0,1,0,0|1,0,2]=4 1409 B8R1.8 CNCC1OCCO1 34a_100102657272_100000755774 [0,0,0,1,0,0|1,0,2]=4 1410 B8R1.8 CNCC1OCCO1 7a_106832991635_100000755774 [0,0,0,1,0,0|1,0,2]=4 1411 B8R1.8 CNC[C@@H]1CCCO1 2230a_100020590478_200000210301 [0,0,0,1,0,0|2,0,1]=4 1412 B8R1.8 CNC[C@@H]1CCCO1 34a_100020590478_200000210301 [0,0,0,1,0,0|2,0,1]=4 1413 B8R1.8 COCC1=NCCN1 34a_100138415774_100000737910 [0,0,0,1,0,0|2,1,0]=4 1414 B8R1.8 COCC1CCCO1 34a_100000210270_200000210301 [0,0,0,1,0,0|1,1,1]=4 1415 B8R1.8 COCC1CCCO1 7a_100000210270_200000210301 [0,0,0,1,0,0|1,1,1]=4 1416 B8R1.8 COCC1OCCO1 34a_100000087154_200000210301 [0,0,0,1,0,0|0,1,2]=4 1417 B8R1.8 COCC1OCCO1 34a_100138415774_100000755774 [0,0,0,1,0,0|0,1,2]=4 1418 B8R1.8 CSCC1=NCCN1 62a_100000737910_200000210301 [0,0,0,1,0,0|2,0,0]=3 1419 B8R1.8 CSCC1=NCCN1 62a_200000210301_100000737910 [0,0,0,1,0,0|2,0,0]=3 1420 B8R1.8 CSCC1CCCC1 62a_100000740388_200000210301 [0,0,0,1,0,0|2,0,1]=4 1421 B8R1.8 CSCC1CCCC1 62a_200000210301_100000740388 [0,0,0,1,0,0|2,0,1]=4 1422 B8R1.8 CSCC1CCCO1 62a_100000203698_200000210301 [0,0,0,1,0,0|1,0,1]=3 1423 B8R1.8 CSCC1CCCO1 62a_200000210301_100000203698 [0,0,0,1,0,0|1,0,1]=3 1424 B8R1.8 CSCC1OCCO1 62a_100000755774_200000210301 [0,0,0,1,0,0|0,0,2]=3 1425 B8R1.8 CSCC1OCCO1 62a_200000210301_100000755774 [0,0,0,1,0,0|0,0,2]=3 1426 B8R1.8 CSCN1CCCC1 2230a_100000188435_100011218213 [0,0,0,1,0,0|3,0,0]=4 1427 B8R1.8 CSCN1CCCC1 269982a_100000188435_100011218213 [0,0,0,1,0,0|3,0,0]=4 1428 B8R1.8 CSCc1ncco1 62a_103436540062_200000210301 [0,0,0,1,0,0|1,0,2]=4 1429 B8R1.8 CSCc1ncco1 62a_200000210301_103436540062 [0,0,0,1,0,0|1,0,2]=4 1430 B8R1.8 FCOC1CCSC1 7a_100011232664_100015361967 [0,0,0,1,0,0|2,0,1]=4 1431 B8R1.8 [13CH3]NCC1OCCO1 2230a_100000036311_200025704644 [0,0,0,1,0,0|1,0,2]=4 1432 B8R1.8 [13CH3]NCC1OCCO1 34a_100000036311_200025704644 [0,0,0,1,0,0|1,0,2]=4 1433 B8R1.8 [13CH3]NC[C@@H]1CCCO1 2230a_100020590478_200025704644 [0,0,0,1,0,0|2,0,1]=4 1434 B8R1.8 [13CH3]NC[C@@H]1CCCO1 34a_100020590478_200025704644 [0,0,0,1,0,0|2,0,1]=4 1435 B8R1.8 [13CH3]OCC1CCCO1 34a_100000210270_200025704644 [0,0,0,1,0,0|1,1,1]=4 1436 B8R1.8 [13CH3]OCC1CCCO1 7a_100000210270_200025704644 [0,0,0,1,0,0|1,1,1]=4 1437 B8R1.8 [13CH3]OCC1OCCO1 34a_100000087154_200025704644 [0,0,0,1,0,0|0,1,2]=4 1438 B8R1.8 [13CH3]SCC1=NCCN1 62a_100000737910_200025704644 [0,0,0,1,0,0|2,0,0]=3 1439 B8R1.8 [13CH3]SCC1=NCCN1 62a_200025704644_100000737910 [0,0,0,1,0,0|2,0,0]=3 1440 B8R1.8 [13CH3]SCC1CCCC1 62a_100000740388_200025704644 [0,0,0,1,0,0|2,0,1]=4 1441 B8R1.8 [13CH3]SCC1CCCC1 62a_200025704644_100000740388 [0,0,0,1,0,0|2,0,1]=4 1442 B8R1.8 [13CH3]SCC1CCCO1 62a_100000203698_200025704644 [0,0,0,1,0,0|1,0,1]=3 1443 B8R1.8 [13CH3]SCC1CCCO1 62a_200025704644_100000203698 [0,0,0,1,0,0|1,0,1]=3 1444 B8R1.8 [13CH3]SCC1OCCO1 62a_100000755774_200025704644 [0,0,0,1,0,0|0,0,2]=3 1445 B8R1.8 [13CH3]SCC1OCCO1 62a_200025704644_100000755774 [0,0,0,1,0,0|0,0,2]=3 1446 B8R1.8 [13CH3]SCc1ncco1 62a_103436540062_200025704644 [0,0,0,1,0,0|1,0,2]=4 1447 B8R1.8 [13CH3]SCc1ncco1 62a_200025704644_103436540062 [0,0,0,1,0,0|1,0,2]=4 1448 B8R1.11 CNC1CCCC1=O 2230a_106832991635_100000211823 [0,0,0,1,0,0|2,0,0]=3 1449 B8R1.11 CNC1CCCC1=O 34a_100102657272_100000709159 [0,0,0,1,0,0|2,0,0]=3 1450 B8R1.11 CNC1CCCC1=O 7a_106832991635_100000211823 [0,0,0,1,0,0|2,0,0]=3 1451 B8R1.11 CNC1CCNC1=O 2230a_100016995588_200000210301 [0,0,0,1,0,0|2,0,0]=3 1452 B8R1.11 CNC1CCNC1=O 34a_100016995588_200000210301 [0,0,0,1,0,0|2,0,0]=3 1453 B8R1.11 CNC1CCOC1=O 2230a_106832991635_100000211211 [0,0,0,1,0,0|1,0,0]=2 1454 B8R1.11 CNC1CCOC1=O 34a_100102657272_100000211211 [0,0,0,1,0,0|1,0,0]=2 1455 B8R1.11 CNC1CCOC1=O 7a_106832991635_100000211211 [0,0,0,1,0,0|1,0,0]=2 1456 B8R1.11 CNC1CCOC1C 270004a_106832991635_100000691750 [0,0,0,1,0,0|2,0,1]=4 1457 B8R1.11 CN[C@@H]1CONC1=O 2230a_100000765999_200000210301 [0,0,0,1,0,0|3,0,0]=4 1458 B8R1.11 CN[C@@H]1CONC1=O 34a_100000765999_200000210301 [0,0,0,1,0,0|3,0,0]=4 1459 B8R1.11 COC1CCCC1=O 34a_100138415774_100000709159 [0,0,0,1,0,0|1,1,0]=3 1460 B8R1.11 COC1CCCC1=O 34a_200000719330_200000210301 [0,0,0,1,0,0|1,1,0]=3 1461 B8R1.11 COC1CCOC1=O 34a_100138415774_100000211211 [0,0,0,1,0,0|0,1,0]=2 1462 B8R1.11 CO[C@H]1CCNC1=O 34a_100000688343_200000210301 [0,0,0,1,0,0|1,1,0]=3 1463 B8R1.11 CSC1CCCC1=O 62a_100000211823_200000210301 [0,0,0,1,0,0|1,0,0]=2 1464 B8R1.11 CSC1CCCC1=O 62a_200000210301_100000211823 [0,0,0,1,0,0|1,0,0]=2 1465 B8R1.11 CSC1CCOC1=O 62a_100000211211_200000210301 [0,0,0,1,0,0|0,0,0]=1 1466 B8R1.11 CSC1CCOC1=O 62a_200000210301_100000211211 [0,0,0,1,0,0|0,0,0]=1 1467 B8R1.11 CS[C@@H]1CCC[C@H]1O 62a_200000210301_200016002552 [0,0,0,1,0,0|1,0,2]=4 1468 B8R1.11 CS[C@@H]1CCC[C@H]1O 62a_200016002552_200000210301 [0,0,0,1,0,0|1,0,2]=4 1469 B8R1.11 [13CH3]NC1CCNC1=O 2230a_100016995588_200025704644 [0,0,0,1,0,0|2,0,0]=3 1470 B8R1.11 [13CH3]NC1CCNC1=O 34a_100016995588_200025704644 [0,0,0,1,0,0|2,0,0]=3 1471 B8R1.11 [13CH3]N[C@@H]1CONC1=O 2230a_100000765999_200025704644 [0,0,0,1,0,0|3,0,0]=4 1472 B8R1.11 [13CH3]N[C@@H]1CONC1=O 34a_100000765999_200025704644 [0,0,0,1,0,0|3,0,0]=4 1473 B8R1.11 [13CH3]OC1CCCC1=O 34a_200000719330_200025704644 [0,0,0,1,0,0|1,1,0]=3 1474 B8R1.11 [13CH3]O[C@H]1CCNC1=O 34a_100000688343_200025704644 [0,0,0,1,0,0|1,1,0]=3 1475 B8R1.11 [13CH3]SC1CCCC1=O 62a_100000211823_200025704644 [0,0,0,1,0,0|1,0,0]=2 1476 B8R1.11 [13CH3]SC1CCCC1=O 62a_200025704644_100000211823 [0,0,0,1,0,0|1,0,0]=2 1477 B8R1.11 [13CH3]SC1CCOC1=O 62a_100000211211_200025704644 [0,0,0,1,0,0|0,0,0]=1 1478 B8R1.11 [13CH3]SC1CCOC1=O 62a_200025704644_100000211211 [0,0,0,1,0,0|0,0,0]=1 1479 B8R1.11 [13CH3]S[C@@H]1CCC[C@H]1O 62a_200016002552_200025704644 [0,0,0,1,0,0|1,0,2]=4 1480 B8R1.11 [13CH3]S[C@@H]1CCC[C@H]1O 62a_200025704644_200016002552 [0,0,0,1,0,0|1,0,2]=4 1481 B8R1.37 C#CCC(=O)C1CC1 1458a_100000210395_100000184674 [0,0,0,1,0,0|2,0,1]=4 1482 B8R1.37 C=CCC(=O)C1CC1 1458a_100000210395_100000210623 [0,0,0,1,0,0|2,0,1]=4 1483 B8R1.37 CCCC(=O)C1CC1 1458a_100000210395_100000210303 [0,0,0,1,0,0|2,0,0]=3 1484 B8R1.37 CCCC(=O)C1CO1 1458a_100000701028_100000210303 [0,0,0,1,0,0|1,1,0]=3 1485 B8R1.37 CCNC(=O)C1CC1 11a_100015525214_100000210395 [0,0,0,1,0,0|2,0,0]=3 1486 B8R1.37 CCNC(=O)C1CC1 240690a_100015525214_100000210395 [0,0,0,1,0,0|2,0,0]=3 1487 B8R1.37 CCNC(=O)C1CC1 527a_100015525214_100000210395 [0,0,0,1,0,0|2,0,0]=3 1488 B8R1.37 CCNC(=O)C1CO1 11a_100015525214_100000701028 [0,0,0,1,0,0|1,1,0]=3 1489 B8R1.37 CCNC(=O)C1CO1 240690a_100015525214_100000701028 [0,0,0,1,0,0|1,1,0]=3 1490 B8R1.37 CCNC(=O)C1CO1 527a_100015525214_100000701028 [0,0,0,1,0,0|1,1,0]=3 1491 B8R1.37 CCOC(C)C1CC1 34a_100000744524_100000210202 [0,0,0,1,0,0|2,0,1]=4 1492 B8R1.37 CCOC(C)C1CC1 7a_100000744524_100000210202 [0,0,0,1,0,0|2,0,1]=4 1493 B8R1.37 CNCC(=O)C1CC1 2230a_106832991635_100000746382 [0,0,0,1,0,0|2,0,0]=3 1494 B8R1.37 CNCC(=O)C1CC1 34a_100102657272_100000746382 [0,0,0,1,0,0|2,0,0]=3 1495 B8R1.37 CNCC(=O)C1CC1 7a_106832991635_100000746382 [0,0,0,1,0,0|2,0,0]=3 1496 B8R1.37 CNNC(=O)C1CC1 22a_100016993582_100000210395 [0,0,0,1,0,0|3,0,0]=4 1497 B8R1.37 CNNC(=O)C1CO1 22a_100016993582_100000701028 [0,0,0,1,0,0|2,1,0]=4 1498 B8R1.37 COCC(=O)C1CC1 34a_100000686663_200000210301 [0,0,0,1,0,0|1,1,0]=3 1499 B8R1.37 COCC(=O)C1CC1 34a_100138415774_100000746382 [0,0,0,1,0,0|1,1,0]=3 1500 B8R1.37 CSCC(=O)C1CC1 62a_100000746382_200000210301 [0,0,0,1,0,0|1,0,0]=2 1501 B8R1.37 CSCC(=O)C1CC1 62a_200000210301_100000746382 [0,0,0,1,0,0|1,0,0]=2 1502 B8R1.37 CSCN(C)C1CC1 2230a_100000226674_100011218213 [0,0,0,1,0,0|3,0,0]=4 1503 B8R1.37 CSCN(C)C1CC1 269982a_100000226674_100011218213 [0,0,0,1,0,0|3,0,0]=4 1504 B8R1.37 N#CCC(=O)C1CC1 1458a_100000210395_100011214920 [0,0,0,1,0,0|3,0,0]=4 1505 B8R1.37 O=C(CCF)C1CC1 1458a_100000210395_100011217306 [0,0,0,1,0,0|3,0,0]=4 1506 B8R1.37 O=C(CCF)C1CO1 1458a_100000701028_100011217306 [0,0,0,1,0,0|2,1,0]=4 1507 B8R1.37 O=C(CCO)C1CC1 1458a_100000210395_100000211926 [0,0,0,1,0,0|3,0,0]=4 1508 B8R1.37 O=C(CCO)C1CO1 1458a_100000701028_100000211926 [0,0,0,1,0,0|2,1,0]=4 1509 B8R1.37 [13CH3]OCC(=O)C1CC1 34a_100000686663_200025704644 [0,0,0,1,0,0|1,1,0]=3 1510 B8R1.37 [13CH3]SCC(=O)C1CC1 62a_100000746382_200025704644 [0,0,0,1,0,0|1,0,0]=2 1511 B8R1.37 [13CH3]SCC(=O)C1CC1 62a_200025704644_100000746382 [0,0,0,1,0,0|1,0,0]=2 1512 B8R1.66 CC1(CCC1)CS[13CH3] 62a_100000726658_200025704644 [0,0,0,1,0,0|2,0,1]=4 1513 B8R1.66 CC1(CCC1)CS[13CH3] 62a_200025704644_100000726658 [0,0,0,1,0,0|2,0,1]=4 1514 B8R1.66 CC1(CSC1)OCF 7a_100016018533_100015361967 [0,0,0,1,0,0|2,0,1]=4 1515 B8R1.66 CCOC1(CCC1)C 34a_100000759064_100000210202 [0,0,0,1,0,0|2,0,1]=4 1516 B8R1.66 CCOC1(CCC1)C 7a_100000759064_100000210202 [0,0,0,1,0,0|2,0,1]=4 1517 B8R1.66 CCOC1(CSC1)C 7a_100016018533_100000210202 [0,0,0,1,0,0|1,0,1]=3 1518 B8R1.66 CSCC1(CCC1)C 62a_100000726658_200000210301 [0,0,0,1,0,0|2,0,1]=4 1519 B8R1.66 CSCC1(CCC1)C 62a_200000210301_100000726658 [0,0,0,1,0,0|2,0,1]=4 1520 B5R0.1 C#CCC(=O)C 1458a_100000070787_100000184674 [2,0,0,0,0,0|1,0,1]=4 1521 B5R0.1 C#CCC(=O)C 1458a_100011220946_200000210301 [2,0,0,0,0,0|1,0,1]=4 1522 B5R0.1 C#CCC(=O)[13CH3] 1458a_100011220946_200025704644 [2,0,0,0,0,0|1,0,1]=4 1523 B5R0.1 C=C(C)CNC 2230a_106832991635_100000748629 [2,0,0,0,0,0|2,0,0]=4 1524 B5R0.1 C=C(C)CNC 34a_100102657272_100000748629 [2,0,0,0,0,0|2,0,0]=4 1525 B5R0.1 C=C(C)CNC 7a_106832991635_100000748629 [2,0,0,0,0,0|2,0,0]=4 1526 B5R0.1 C=C(C)COC 34a_100000210245_200000210301 [2,0,0,0,0,0|1,1,0]=4 1527 B5R0.1 C=C(C)COC 34a_100138415774_100000748629 [2,0,0,0,0,0|1,1,0]=4 1528 B5R0.1 C=C(C)CO[13CH3] 34a_100000210245_200025704644 [2,0,0,0,0,0|1,1,0]=4 1529 B5R0.1 C=C(C)CSC 62a_100000748629_200000210301 [2,0,0,0,0,0|1,0,0]=3 1530 B5R0.1 C=C(C)CSC 62a_200000210301_100000211660 [2,0,0,0,0,0|1,0,0]=3 1531 B5R0.1 C=C(C)CS[13CH3] 62a_100000748629_200025704644 [2,0,0,0,0,0|1,0,0]=3 1532 B5R0.1 C=C(C)CS[13CH3] 62a_200025704644_100000211660 [2,0,0,0,0,0|1,0,0]=3 1533 B5R0.1 C=C(F)CSC 62a_100000042424_200000210301 [2,0,0,0,0,0|1,0,1]=4 1534 B5R0.1 C=C(F)CSC 62a_200000210301_100000042424 [2,0,0,0,0,0|1,0,1]=4 1535 B5R0.1 C=C(F)CS[13CH3] 62a_100000042424_200025704644 [2,0,0,0,0,0|1,0,1]=4 1536 B5R0.1 C=C(F)CS[13CH3] 62a_200025704644_100000042424 [2,0,0,0,0,0|1,0,1]=4 1537 B5R0.1 C=CCC(=O)C 1458a_100000070787_100000210623 [2,0,0,0,0,0|1,0,1]=4 1538 B5R0.1 C=CCC(=O)C 1458a_100000210193_200000210301 [2,0,0,0,0,0|1,0,1]=4 1539 B5R0.1 C=CCC(=O)[13CH3] 1458a_100000210193_200025704644 [2,0,0,0,0,0|1,0,1]=4 1540 B5R0.1 CC#CC(=O)C 1458a_100000763181_200000210301 [2,0,0,0,0,0|1,0,1]=4 1541 B5R0.1 CC#CC(=O)[13CH3] 1458a_100000763181_200025704644 [2,0,0,0,0,0|1,0,1]=4 1542 B5R0.1 CC(=O)CC#N 1458a_100000070787_100011214920 [2,0,0,0,0,0|2,0,0]=4 1543 B5R0.1 CC(=O)CC#N 1458a_100051588842_200000210301 [2,0,0,0,0,0|2,0,0]=4 1544 B5R0.1 CC(=O)CCF 1458a_100000070787_100011217306 [2,0,0,0,0,0|2,0,0]=4 1545 B5R0.1 CC(=O)CCO 1458a_100000070787_100000211926 [2,0,0,0,0,0|2,0,0]=4 1546 B5R0.1 CC(=O)CCO 1458a_100011216618_200000210301 [2,0,0,0,0,0|2,0,0]=4 1547 B5R0.1 CC(=O)CO[13CH3] 34a_100000211253_200025704644 [2,0,0,0,0,0|0,1,0]=3 1548 B5R0.1 CC(C)CS[13CH3] 62a_100000210624_200025704644 [2,0,0,0,0,0|1,0,1]=4 1549 B5R0.1 CC(C)CS[13CH3] 62a_200025704644_100000210760 [2,0,0,0,0,0|1,0,1]=4 1550 B5R0.1 CC(O)CS[13CH3] 62a_100011218427_200025704644 [2,0,0,0,0,0|0,0,2]=4 1551 B5R0.1 CC(O)CS[13CH3] 62a_200025704644_100011218427 [2,0,0,0,0,0|0,0,2]=4 1552 B5R0.1 CC=CC(=O)C 1458a_100000210699_200000210301 [2,0,0,0,0,0|1,0,1]=4 1553 B5R0.1 CC=CC(=O)[13CH3] 1458a_100000210699_200025704644 [2,0,0,0,0,0|1,0,1]=4 1554 B5R0.1 CCCC(=O)C 1458a_100000070787_100000210303 [2,0,0,0,0,0|1,0,0]=3 1555 B5R0.1 CCCC(=O)C 1458a_100000211992_200000210301 [2,0,0,0,0,0|1,0,0]=3 1556 B5R0.1 CCCC(=O)[13CH3] 1458a_100000211992_200025704644 [2,0,0,0,0,0|1,0,0]=3 1557 B5R0.1 CCNC(=O)C 11a_100015525214_100015343762 [2,0,0,0,0,0|1,0,0]=3 1558 B5R0.1 CCNC(=O)C 240690a_100015525214_100015343762 [2,0,0,0,0,0|1,0,0]=3 1559 B5R0.1 CCNC(=O)C 527a_100015525214_100103153847 [2,0,0,0,0,0|1,0,0]=3 1560 B5R0.1 CCOC(C)C 34a_100000212225_100000210202 [2,0,0,0,0,0|1,0,1]=4 1561 B5R0.1 CCOC(C)C 34a_100121572206_100000210206 [2,0,0,0,0,0|1,0,1]=4 1562 B5R0.1 CNCC(=O)N 2230a_100000711301_200000210301 [2,0,0,0,0,0|2,0,0]=4 1563 B5R0.1 CNCC(=O)N 2230a_106832991635_100000747473 [2,0,0,0,0,0|2,0,0]=4 1564 B5R0.1 CNCC(=O)N 34a_100102657272_100000187820 [2,0,0,0,0,0|2,0,0]=4 1565 B5R0.1 CNCC(=O)N 7a_106832991635_100000187820 [2,0,0,0,0,0|2,0,0]=4 1566 B5R0.1 CNCC(=O)O 269956a_100016091260_200000210301 [2,0,0,0,0,0|1,0,0]=3 1567 B5R0.1 CNCC(=O)[O-] 34a_100102657272_100020667443 [2,0,0,0,0,0|1,0,1]=4 1568 B5R0.1 CNNC(=O)C 22a_100016993582_100000070787 [2,0,0,0,0,0|2,0,0]=4 1569 B5R0.1 COCC(=O)C 1458a_100000210968_200000210301 [2,0,0,0,0,0|0,1,0]=3 1570 B5R0.1 COCC(=O)C 34a_100000211253_200000210301 [2,0,0,0,0,0|0,1,0]=3 1571 B5R0.1 COCC(=O)N 34a_100138415774_100000187820 [2,0,0,0,0,0|1,1,0]=4 1572 B5R0.1 COCC(=O)[13CH3] 1458a_100000210968_200025704644 [2,0,0,0,0,0|0,1,0]=3 1573 B5R0.1 COCC(=O)[O-] 34a_100138415774_100020667443 [2,0,0,0,0,0|0,1,1]=4 1574 B5R0.1 CSCC(=O)C 1458a_100000184570_200000210301 [2,0,0,0,0,0|0,0,0]=2 1575 B5R0.1 CSCC(=O)N 62a_100000747473_200000210301 [2,0,0,0,0,0|1,0,0]=3 1576 B5R0.1 CSCC(=O)N 62a_200000210301_100000747473 [2,0,0,0,0,0|1,0,0]=3 1577 B5R0.1 CSCC(=O)[13CH3] 1458a_100000184570_200025704644 [2,0,0,0,0,0|0,0,0]=2 1578 B5R0.1 CSCC(=O)[O-] 62a_100020667443_200000210301 [2,0,0,0,0,0|0,0,1]=3 1579 B5R0.1 CSCC(=O)[O-] 62a_200000210301_100020667443 [2,0,0,0,0,0|0,0,1]=3 1580 B5R0.1 CSCC(C)C 62a_100000210624_200000210301 [2,0,0,0,0,0|1,0,1]=4 1581 B5R0.1 CSCC(C)C 62a_200000210301_100000210760 [2,0,0,0,0,0|1,0,1]=4 1582 B5R0.1 CSCC(C)O 62a_100011218427_200000210301 [2,0,0,0,0,0|0,0,2]=4 1583 B5R0.1 CSCC(C)O 62a_200000210301_100011218427 [2,0,0,0,0,0|0,0,2]=4 1584 B5R0.1 CSCN(C)C 2230a_100102631434_100011218213 [2,0,0,0,0,0|2,0,0]=4 1585 B5R0.1 CSCN(C)C 269982a_100102631434_100011218213 [2,0,0,0,0,0|2,0,0]=4 1586 B5R0.1 CSC[C@@H](C)O 62a_100009817552_200000210301 [2,0,0,0,0,0|0,0,2]=4 1587 B5R0.1 CSC[C@@H](C)O 62a_200000210301_100009817552 [2,0,0,0,0,0|0,0,2]=4 1588 B5R0.1 CSC[N+](=O)[O-] 62a_200000210301_100000761209 [2,0,0,0,0,0|1,0,1]=4 1589 B5R0.1 C[C@@H](O)CS[13CH3] 62a_100009817552_200025704644 [2,0,0,0,0,0|0,0,2]=4 1590 B5R0.1 C[C@@H](O)CS[13CH3] 62a_200025704644_100009817552 [2,0,0,0,0,0|0,0,2]=4 1591 B5R0.1 [13CH3]C(=O)CC#N 1458a_100051588842_200025704644 [2,0,0,0,0,0|2,0,0]=4 1592 B5R0.1 [13CH3]C(=O)CCO 1458a_100011216618_200025704644 [2,0,0,0,0,0|2,0,0]=4 1593 B5R0.1 [13CH3]NCC(=O)N 2230a_100000711301_200025704644 [2,0,0,0,0,0|2,0,0]=4 1594 B5R0.1 [13CH3]NCC(=O)O 269956a_100016091260_200025704644 [2,0,0,0,0,0|1,0,0]=3 1595 B5R0.1 [13CH3]SCC(=O)N 62a_100000747473_200025704644 [2,0,0,0,0,0|1,0,0]=3 1596 B5R0.1 [13CH3]SCC(=O)N 62a_200025704644_100000747473 [2,0,0,0,0,0|1,0,0]=3 1597 B5R0.1 [13CH3]SCC(=O)[O-] 62a_100020667443_200025704644 [2,0,0,0,0,0|0,0,1]=3 1598 B5R0.1 [13CH3]SCC(=O)[O-] 62a_200025704644_100020667443 [2,0,0,0,0,0|0,0,1]=3 1599 B5R0.1 [13CH3]SC[N+](=O)[O-] 62a_200025704644_100000761209 [2,0,0,0,0,0|1,0,1]=4 1600 B5R0.2 C#CCOCC 34a_100000210247_100000210202 [2,0,0,0,0,0|1,0,1]=4 1601 B5R0.2 C#CCOCC 34a_100121572206_100000184674 [2,0,0,0,0,0|1,0,1]=4 1602 B5R0.2 C/C=C/CNC 34a_100102657272_100102629194 [2,0,0,0,0,0|1,0,1]=4 1603 B5R0.2 C/C=C/CNC 7a_106832991635_100102629194 [2,0,0,0,0,0|1,0,1]=4 1604 B5R0.2 C/C=C/COC 34a_100016270725_200000210301 [2,0,0,0,0,0|0,1,1]=4 1605 B5R0.2 C/C=C/COC 34a_100138415774_100102629194 [2,0,0,0,0,0|0,1,1]=4 1606 B5R0.2 C/C=C/CO[13CH3] 34a_100016270725_200025704644 [2,0,0,0,0,0|0,1,1]=4 1607 B5R0.2 C/C=C/CSC 62a_100102629194_200000210301 [2,0,0,0,0,0|0,0,1]=3 1608 B5R0.2 C/C=C/CSC 62a_200000210301_100102629194 [2,0,0,0,0,0|0,0,1]=3 1609 B5R0.2 C/C=C/CS[13CH3] 62a_100102629194_200025704644 [2,0,0,0,0,0|0,0,1]=3 1610 B5R0.2 C/C=C/CS[13CH3] 62a_200025704644_100102629194 [2,0,0,0,0,0|0,0,1]=3 1611 B5R0.2 C=CCOCC 34a_100121572206_100015514636 [2,0,0,0,0,0|1,0,1]=4 1612 B5R0.2 C=CCOCC 34a_200000210373_100000210202 [2,0,0,0,0,0|1,0,1]=4 1613 B5R0.2 CC#CCSC 62a_100000748600_200000210301 [2,0,0,0,0,0|0,0,2]=4 1614 B5R0.2 CC#CCSC 62a_200000210301_100000748600 [2,0,0,0,0,0|0,0,2]=4 1615 B5R0.2 CC#CCS[13CH3] 62a_100000748600_200025704644 [2,0,0,0,0,0|0,0,2]=4 1616 B5R0.2 CC#CCS[13CH3] 62a_200025704644_100000748600 [2,0,0,0,0,0|0,0,2]=4 1617 B5R0.2 CC=CCNC 2230a_106832991635_100000070051 [2,0,0,0,0,0|1,0,1]=4 1618 B5R0.2 CC=CCNC 34a_100102657272_100000070051 [2,0,0,0,0,0|1,0,1]=4 1619 B5R0.2 CC=CCNC 7a_106832991635_100000070051 [2,0,0,0,0,0|1,0,1]=4 1620 B5R0.2 CC=CCOC 34a_100138415774_100000070051 [2,0,0,0,0,0|0,1,1]=4 1621 B5R0.2 CC=CCSC 62a_100000070051_200000210301 [2,0,0,0,0,0|0,0,1]=3 1622 B5R0.2 CC=CCSC 62a_200000210301_100000070051 [2,0,0,0,0,0|0,0,1]=3 1623 B5R0.2 CC=CCS[13CH3] 62a_100000070051_200025704644 [2,0,0,0,0,0|0,0,1]=3 1624 B5R0.2 CC=CCS[13CH3] 62a_200025704644_100000070051 [2,0,0,0,0,0|0,0,1]=3 1625 B5R0.2 CCCCNC 2230a_100000102301_200000210301 [2,0,0,0,0,0|1,0,1]=4 1626 B5R0.2 CCCCNC 2230a_106832991635_100000210211 [2,0,0,0,0,0|1,0,1]=4 1627 B5R0.2 CCCCNC 34a_100102657272_100000210210 [2,0,0,0,0,0|1,0,1]=4 1628 B5R0.2 CCCCNC 7a_106832991635_100000210211 [2,0,0,0,0,0|1,0,1]=4 1629 B5R0.2 CCCCNC 7a_106832991798_200000210301 [2,0,0,0,0,0|1,0,1]=4 1630 B5R0.2 CCCCN[13CH3] 2230a_100000102301_200025704644 [2,0,0,0,0,0|1,0,1]=4 1631 B5R0.2 CCCCN[13CH3] 7a_106832991798_200025704644 [2,0,0,0,0,0|1,0,1]=4 1632 B5R0.2 CCCCOC 34a_100000210227_200000210301 [2,0,0,0,0,0|0,1,1]=4 1633 B5R0.2 CCCCOC 34a_100138415774_100000210210 [2,0,0,0,0,0|0,1,1]=4 1634 B5R0.2 CCCCOC 7a_100000210227_200000210301 [2,0,0,0,0,0|0,1,1]=4 1635 B5R0.2 CCCCO[13CH3] 34a_100000210227_200025704644 [2,0,0,0,0,0|0,1,1]=4 1636 B5R0.2 CCCCO[13CH3] 7a_100000210227_200025704644 [2,0,0,0,0,0|0,1,1]=4 1637 B5R0.2 CCCCSC 62a_100000210211_200000210301 [2,0,0,0,0,0|0,0,1]=3 1638 B5R0.2 CCCCSC 62a_200000210301_100000210210 [2,0,0,0,0,0|0,0,1]=3 1639 B5R0.2 CCCCS[13CH3] 62a_100000210211_200025704644 [2,0,0,0,0,0|0,0,1]=3 1640 B5R0.2 CCCCS[13CH3] 62a_200025704644_100000210210 [2,0,0,0,0,0|0,0,1]=3 1641 B5R0.2 CCCNCC 2230a_100015525214_100000210303 [2,0,0,0,0,0|1,0,1]=4 1642 B5R0.2 CCCOCC 34a_100000210258_100000210202 [2,0,0,0,0,0|0,0,1]=3 1643 B5R0.2 CCCOCC 34a_100121572206_100000210303 [2,0,0,0,0,0|0,0,1]=3 1644 B5R0.2 CCCOCF 34a_100000210258_100015361967 [2,0,0,0,0,0|1,0,1]=4 1645 B5R0.2 CCCSCC 62a_100000210202_100000210303 [2,0,0,0,0,0|0,1,1]=4 1646 B5R0.2 CCCSCC 62a_100000210303_100000210202 [2,0,0,0,0,0|0,1,1]=4 1647 B5R0.2 CCNCOC 2230a_100015525214_100000766300 [2,0,0,0,0,0|1,1,0]=4 1648 B5R0.2 CCNCSC 2230a_100015525214_100011218213 [2,0,0,0,0,0|1,0,0]=3 1649 B5R0.2 CCOCC=O 34a_100121572206_200009817547 [2,0,0,0,0,0|2,0,0]=4 1650 B5R0.2 CCOCCBr 34a_100000211926_100000210202 [2,0,0,0,0,0|1,0,1]=4 1651 B5R0.2 CCOCCF 34a_100121572206_100011217306 [2,0,0,0,0,0|1,0,1]=4 1652 B5R0.2 CCOCCN 34a_100000210304_100000210202 [2,0,0,0,0,0|1,0,1]=4 1653 B5R0.2 CCOCCO 34a_100121572206_100000211926 [2,0,0,0,0,0|0,1,1]=4 1654 B5R0.2 CCOCSC 34a_100121572206_100011218213 [2,0,0,0,0,0|0,0,0]=2 1655 B5R0.2 CCOCSC 62a_100000739092_200000210301 [2,0,0,0,0,0|0,0,0]=2 1656 B5R0.2 CCOCSC 62a_200000210301_100000739092 [2,0,0,0,0,0|0,0,0]=2 1657 B5R0.2 CCOCS[13CH3] 62a_100000739092_200025704644 [2,0,0,0,0,0|0,0,0]=2 1658 B5R0.2 CCOCS[13CH3] 62a_200025704644_100000739092 [2,0,0,0,0,0|0,0,0]=2 1659 B5R0.2 CCSCOC 62a_100000210202_100000766300 [2,0,0,0,0,0|0,2,0]=4 1660 B5R0.2 CCSCOC 62a_100000766300_100000210202 [2,0,0,0,0,0|0,2,0]=4 1661 B5R0.2 CCSCSC 62a_100000210202_100011218213 [2,0,0,0,0,0|0,1,0]=3 1662 B5R0.2 CCSCSC 62a_100011218213_100000210202 [2,0,0,0,0,0|0,1,0]=3 1663 B5R0.2 CNCCOC 2230a_100000209980_200000210301 [2,0,0,0,0,0|1,0,1]=4 1664 B5R0.2 CNCCOC 2230a_106832991635_100011201679 [2,0,0,0,0,0|1,0,1]=4 1665 B5R0.2 CNCCOC 34a_100102657272_100011201679 [2,0,0,0,0,0|1,0,1]=4 1666 B5R0.2 CNCCOC 7a_106832991635_100000233755 [2,0,0,0,0,0|1,0,1]=4 1667 B5R0.2 CNCCSC 2230a_100020590264_200000210301 [2,0,0,0,0,0|1,0,1]=4 1668 B5R0.2 CNCCSC 2230a_106832991635_100000751147 [2,0,0,0,0,0|1,0,1]=4 1669 B5R0.2 CNCCSC 34a_100102657272_100000212216 [2,0,0,0,0,0|1,0,1]=4 1670 B5R0.2 CNCCSC 7a_106832991635_100000212216 [2,0,0,0,0,0|1,0,1]=4 1671 B5R0.2 COCCN[13CH3] 2230a_100000209980_200025704644 [2,0,0,0,0,0|1,0,1]=4 1672 B5R0.2 COCCOC 34a_100000210237_200000210301 [2,0,0,0,0,0|0,1,1]=4 1673 B5R0.2 COCCOC 34a_100138415774_100011201679 [2,0,0,0,0,0|0,1,1]=4 1674 B5R0.2 COCCO[13CH3] 34a_100000210237_200025704644 [2,0,0,0,0,0|0,1,1]=4 1675 B5R0.2 COCCSC 34a_100000230434_200000210301 [2,0,0,0,0,0|0,0,1]=3 1676 B5R0.2 COCCSC 34a_100138415774_100000212216 [2,0,0,0,0,0|0,0,1]=3 1677 B5R0.2 COCCSC 62a_100000233755_200000210301 [2,0,0,0,0,0|0,0,1]=3 1678 B5R0.2 COCCSC 62a_200000210301_100000233755 [2,0,0,0,0,0|0,0,1]=3 1679 B5R0.2 COCCSC 7a_100000230434_200000210301 [2,0,0,0,0,0|0,0,1]=3 1680 B5R0.2 COCCS[13CH3] 62a_100000233755_200025704644 [2,0,0,0,0,0|0,0,1]=3 1681 B5R0.2 COCCS[13CH3] 62a_200025704644_100000233755 [2,0,0,0,0,0|0,0,1]=3 1682 B5R0.2 CSCCCF 62a_100011934791_200000210301 [2,0,0,0,0,0|1,0,1]=4 1683 B5R0.2 CSCCCF 62a_200000210301_100011934791 [2,0,0,0,0,0|1,0,1]=4 1684 B5R0.2 CSCCCO 62a_100011215043_200000210301 [2,0,0,0,0,0|1,0,1]=4 1685 B5R0.2 CSCCCO 62a_200000210301_100011215043 [2,0,0,0,0,0|1,0,1]=4 1686 B5R0.2 CSCCN[13CH3] 2230a_100020590264_200025704644 [2,0,0,0,0,0|1,0,1]=4 1687 B5R0.2 CSCCO[13CH3] 34a_100000230434_200025704644 [2,0,0,0,0,0|0,0,1]=3 1688 B5R0.2 CSCCO[13CH3] 7a_100000230434_200025704644 [2,0,0,0,0,0|0,0,1]=3 1689 B5R0.2 CSCCSC 62a_100000212216_200000210301 [2,0,0,0,0,0|0,1,1]=4 1690 B5R0.2 CSCCSC 62a_200000210301_100000751147 [2,0,0,0,0,0|0,1,1]=4 1691 B5R0.2 CSCCS[13CH3] 62a_100000212216_200025704644 [2,0,0,0,0,0|0,1,1]=4 1692 B5R0.2 CSCCS[13CH3] 62a_200025704644_100000751147 [2,0,0,0,0,0|0,1,1]=4 1693 B5R0.2 CSCSCF 62a_100011218213_100015361967 [2,0,0,0,0,0|1,1,0]=4 1694 B5R0.2 CSCSCF 62a_100015361967_100011218213 [2,0,0,0,0,0|1,1,0]=4 1695 B5R0.2 [13CH3]SCCCF 62a_100011934791_200025704644 [2,0,0,0,0,0|1,0,1]=4 1696 B5R0.2 [13CH3]SCCCF 62a_200025704644_100011934791 [2,0,0,0,0,0|1,0,1]=4 1697 B5R0.2 [13CH3]SCCCO 62a_100011215043_200025704644 [2,0,0,0,0,0|1,0,1]=4 1698 B5R0.2 [13CH3]SCCCO 62a_200025704644_100011215043 [2,0,0,0,0,0|1,0,1]=4 1699 B5R0.3 C#CC(=O)CC 1458a_100000211873_100000210202 [2,0,0,0,0,0|0,0,2]=4 1700 B5R0.3 C=CC(=O)CC 1458a_100000185746_100000210202 [2,0,0,0,0,0|0,0,2]=4 1701 B5R0.3 CCC(=O)CC 1458a_100000210414_100000210202 [2,0,0,0,0,0|0,0,0]=2 1702 B5R0.3 CCC(=O)CF 1458a_100000210414_100015361967 [2,0,0,0,0,0|1,0,0]=3 1703 B5R0.3 CCC(=O)CO 1458a_100000210174_100000210202 [2,0,0,0,0,0|0,1,0]=3 1704 B5R0.3 CCC(=O)NC 11a_106832991635_100000210414 [2,0,0,0,0,0|1,0,0]=3 1705 B5R0.3 CCC(=O)NC 1626a_100102657272_100000210414 [2,0,0,0,0,0|1,0,0]=3 1706 B5R0.3 CCC(=O)NC 240690a_100102657272_100000210414 [2,0,0,0,0,0|1,0,0]=3 1707 B5R0.3 CCC(=O)NC 527a_100102657272_100000210414 [2,0,0,0,0,0|1,0,0]=3 1708 B5R0.3 CCC(C)OC 34a_100138415774_100011215416 [2,0,0,0,0,0|1,0,1]=4 1709 B5R0.3 CCC(C)OC 7a_100000210228_200000210301 [2,0,0,0,0,0|1,0,1]=4 1710 B5R0.3 CCC(C)O[13CH3] 7a_100000210228_200025704644 [2,0,0,0,0,0|1,0,1]=4 1711 B5R0.3 CCC(C)SC 62a_100000758301_200000210301 [2,0,0,0,0,0|1,0,1]=4 1712 B5R0.3 CCC(C)SC 62a_200000210301_100000758301 [2,0,0,0,0,0|1,0,1]=4 1713 B5R0.3 CCC(C)S[13CH3] 62a_100000758301_200025704644 [2,0,0,0,0,0|1,0,1]=4 1714 B5R0.3 CCC(C)S[13CH3] 62a_200025704644_100000758301 [2,0,0,0,0,0|1,0,1]=4 1715 B5R0.3 CCN(C)CC 2230a_100000225621_100000210202 [2,0,0,0,0,0|2,0,0]=4 1716 B5R0.3 CCN(C)CC 2230a_100000724800_200000210301 [2,0,0,0,0,0|2,0,0]=4 1717 B5R0.3 CCN(C)CC 269956a_100000042499_200000210301 [2,0,0,0,0,0|2,0,0]=4 1718 B5R0.3 CCN(C)CC 269982a_100000225621_100000204670 [2,0,0,0,0,0|2,0,0]=4 1719 B5R0.3 CCN(C)CC 269982a_100000724800_200000210301 [2,0,0,0,0,0|2,0,0]=4 1720 B5R0.3 CCN([13CH3])CC 2230a_100000724800_200025704644 [2,0,0,0,0,0|2,0,0]=4 1721 B5R0.3 CCN([13CH3])CC 269956a_100000042499_200025704644 [2,0,0,0,0,0|2,0,0]=4 1722 B5R0.3 CCN([13CH3])CC 269982a_100000724800_200025704644 [2,0,0,0,0,0|2,0,0]=4 1723 B5R0.3 CNC(=O)CO 240690a_100102657272_100000210174 [2,0,0,0,0,0|1,1,0]=4 1724 B5R0.3 CNC(=O)CO 527a_100102657272_100000210174 [2,0,0,0,0,0|1,1,0]=4 1725 B5R0.3 CNC(=O)NC 2708a_100102657272_106832991635 [2,0,0,0,0,0|2,0,0]=4 1726 B5R0.3 CNC(=O)NC 273464a_100102657272_100102657272 [2,0,0,0,0,0|2,0,0]=4 1727 B5R0.3 CNC(=O)NC 512a_106832991638_100102657272 [2,0,0,0,0,0|2,0,0]=4 1728 B5R0.3 COC(C)SC 62a_100009879195_200000210301 [2,0,0,0,0,0|1,0,1]=4 1729 B5R0.3 COC(C)SC 62a_200000210301_100009879195 [2,0,0,0,0,0|1,0,1]=4 1730 B5R0.3 COC(C)S[13CH3] 62a_100009879195_200025704644 [2,0,0,0,0,0|1,0,1]=4 1731 B5R0.3 COC(C)S[13CH3] 62a_200025704644_100009879195 [2,0,0,0,0,0|1,0,1]=4 1732 B5R0.3 O=C(CO)CF 1458a_100000210174_100015361967 [2,0,0,0,0,0|1,1,0]=4 1733 B7R0.2 C=C(C)CC(=O)CC 1458a_100000210414_100000748629 [1,1,0,0,0,0|1,0,0]=3 1734 B7R0.2 C=C(C)CC(=O)CO 1458a_100000210174_100000748629 [1,1,0,0,0,0|2,0,0]=4 1735 B7R0.2 C=C(F)CC(=O)CC 1458a_100000210414_100009893438 [1,1,0,0,0,0|1,0,1]=4 1736 B7R0.2 CC(C)CC(=O)CF 1458a_100000210554_100015361967 [1,1,0,0,0,0|2,0,0]=4 1737 B7R0.2 CC(C)CC(=O)CO 1458a_100000210174_100000210624 [1,1,0,0,0,0|1,1,0]=4 1738 B7R0.2 CC(C)NC(=O)CO 240690a_100138425928_100000210174 [1,1,0,0,0,0|1,1,0]=4 1739 B7R0.2 CC(C)NC(=O)CO 527a_100138425928_100000210174 [1,1,0,0,0,0|1,1,0]=4 1740 B7R0.2 CC(O)CC(=O)CO 1458a_100000210174_100011218427 [1,1,0,0,0,0|1,1,0]=4 1741 B7R0.2 CCC(=O)C=C(C)C 1458a_100000211388_100000210202 [1,1,0,0,0,0|1,0,1]=4 1742 B7R0.2 CCC(=O)C=C(C)Cl 1458a_200042562850_100000210202 [1,1,0,0,0,0|1,0,1]=4 1743 B7R0.2 CCC(=O)C=C(C)I 1458a_100025716642_100000210202 [1,1,0,0,0,0|1,0,1]=4 1744 B7R0.2 CCC(=O)CC(=O)C 1458a_100000070787_100000747405 [1,1,0,0,0,0|1,0,0]=3 1745 B7R0.2 CCC(=O)CC(=O)N 1458a_100000210414_100000187820 [1,1,0,0,0,0|2,0,0]=4 1746 B7R0.2 CCC(=O)CC(=O)N 1458a_100134613110_100000210202 [1,1,0,0,0,0|2,0,0]=4 1747 B7R0.2 CCC(=O)CC(=O)[O-] 1458a_100000210414_100020667443 [1,1,0,0,0,0|2,0,0]=4 1748 B7R0.2 CCC(=O)CC(C)C 1458a_100000210414_100000210624 [1,1,0,0,0,0|1,0,0]=3 1749 B7R0.2 CCC(=O)CC(C)C 1458a_100000210554_100000210202 [1,1,0,0,0,0|1,0,0]=3 1750 B7R0.2 CCC(=O)CC(C)O 1458a_100000210414_100011218427 [1,1,0,0,0,0|1,0,0]=3 1751 B7R0.2 CCC(=O)CC(F)F 1458a_100000210414_100011934356 [1,1,0,0,0,0|2,0,0]=4 1752 B7R0.2 CCC(=O)CN(C)C 1458a_100000750896_100000210202 [1,1,0,0,0,0|1,0,0]=3 1753 B7R0.2 CCC(=O)CN(C)C 269982a_100102631434_100000747405 [1,1,0,0,0,0|1,0,0]=3 1754 B7R0.2 CCC(=O)C[C@@H](C)O 1458a_100011933948_100000210202 [1,1,0,0,0,0|1,0,0]=3 1755 B7R0.2 CCC(=O)C[N+](=O)[O-] 1458a_100000210414_100000761209 [1,1,0,0,0,0|2,0,0]=4 1756 B7R0.2 CCC(=O)C[S+](C)C 1458a_200159257847_100000210202 [1,1,0,0,0,0|0,0,1]=3 1757 B7R0.2 CCC(=O)NC(C)C 11a_100138425928_100000210414 [1,1,0,0,0,0|1,0,0]=3 1758 B7R0.2 CCC(=O)NC(C)C 1626a_100138425928_100000210414 [1,1,0,0,0,0|1,0,0]=3 1759 B7R0.2 CCC(=O)NC(C)C 240690a_100138425928_100000210414 [1,1,0,0,0,0|1,0,0]=3 1760 B7R0.2 CCC(=O)NC(C)C 527a_100138425928_100000210414 [1,1,0,0,0,0|1,0,0]=3 1761 B7R0.2 CCC(C)OC(C)C 34a_100000212225_100011215416 [1,1,0,0,0,0|1,0,1]=4 1762 B7R0.2 CCC(C)OC(C)C 7a_100000210228_100000210206 [1,1,0,0,0,0|1,0,1]=4 1763 B7R0.2 CN(C)CC(=O)CF 1458a_100000750896_100015361967 [1,1,0,0,0,0|2,0,0]=4 1764 B7R0.2 CNC(=O)CC(=O)C 1458a_100000070787_100000183359 [1,1,0,0,0,0|2,0,0]=4 1765 B7R0.2 CNC(=O)CC(C)C 11a_106832991635_100000210554 [1,1,0,0,0,0|2,0,0]=4 1766 B7R0.2 CNC(=O)CC(C)C 1626a_100102657272_100000210554 [1,1,0,0,0,0|2,0,0]=4 1767 B7R0.2 CNC(=O)CC(C)C 240690a_100102657272_100000210554 [1,1,0,0,0,0|2,0,0]=4 1768 B7R0.2 CNC(=O)CC(C)C 527a_100102657272_100000210554 [1,1,0,0,0,0|2,0,0]=4 1769 B7R0.2 CNC(=O)CN(C)C 11a_106832991635_100000750896 [1,1,0,0,0,0|2,0,0]=4 1770 B7R0.2 CNC(=O)CN(C)C 2230a_100000189611_200000210301 [1,1,0,0,0,0|2,0,0]=4 1771 B7R0.2 CNC(=O)CN(C)C 2230a_100102631434_100000183359 [1,1,0,0,0,0|2,0,0]=4 1772 B7R0.2 CNC(=O)CN(C)C 240690a_100102657272_100000750896 [1,1,0,0,0,0|2,0,0]=4 1773 B7R0.2 CNC(=O)CN(C)C 269982a_100102631434_100000183359 [1,1,0,0,0,0|2,0,0]=4 1774 B7R0.2 CNC(=O)CN(C)C 527a_100102657272_100000750896 [1,1,0,0,0,0|2,0,0]=4 1775 B7R0.2 CNC(=O)CN(C)[13CH3] 2230a_100000189611_200025704644 [1,1,0,0,0,0|2,0,0]=4 1776 B7R0.2 CNC(=O)C[C@@H](C)O 240690a_100102657272_100011933948 [1,1,0,0,0,0|2,0,0]=4 1777 B7R0.2 CNC(=O)C[S+](C)C 11a_106832991635_200159257847 [1,1,0,0,0,0|1,0,1]=4 1778 B7R0.2 CNC(=O)C[S+](C)C 1626a_100102657272_200159257847 [1,1,0,0,0,0|1,0,1]=4 1779 B7R0.2 CNC(=O)C[S+](C)C 240690a_100102657272_200159257847 [1,1,0,0,0,0|1,0,1]=4 1780 B7R0.2 CNC(=O)C[S+](C)C 527a_100102657272_200159257847 [1,1,0,0,0,0|1,0,1]=4 1781 B7R0.2 CNC(=O)NC(C)C 2708a_100102657272_100138425928 [1,1,0,0,0,0|2,0,0]=4 1782 B7R0.2 CNC(=O)NC(C)C 2708a_100138425928_106832991635 [1,1,0,0,0,0|2,0,0]=4 1783 B7R0.2 CNC(=O)NC(C)C 273464a_100138425928_100102657272 [1,1,0,0,0,0|2,0,0]=4 1784 B7R0.2 CNC(=O)NC(C)C 512a_100138425928_100102657272 [1,1,0,0,0,0|2,0,0]=4 1785 B7R0.2 CNC(=O)NC(C)C 512a_106832991638_100138425928 [1,1,0,0,0,0|2,0,0]=4 1786 B7R0.2 COC(=O)CC(=O)C 1458a_100000070787_100000747449 [1,1,0,0,0,0|1,0,0]=3 1787 B7R0.2 COC(=O)CC(=O)C 1458a_100000211351_200000210301 [1,1,0,0,0,0|1,0,0]=3 1788 B7R0.2 COC(=O)CC(=O)[13CH3] 1458a_100000211351_200025704644 [1,1,0,0,0,0|1,0,0]=3 1789 B7R0.2 COC(=O)CN(C)C 2230a_100000198492_200000210301 [1,1,0,0,0,0|1,0,0]=3 1790 B7R0.2 COC(=O)CN(C)C 2230a_100102631434_100000747449 [1,1,0,0,0,0|1,0,0]=3 1791 B7R0.2 COC(=O)CN(C)C 269982a_100102631434_100000747449 [1,1,0,0,0,0|1,0,0]=3 1792 B7R0.2 COC(=O)CN(C)[13CH3] 2230a_100000198492_200025704644 [1,1,0,0,0,0|1,0,0]=3 1793 B7R0.2 C[C@@H](O)CC(=O)CF 1458a_100011933948_100015361967 [1,1,0,0,0,0|2,0,0]=4 1794 B7R0.2 C[S+](C)CC(=O)CF 1458a_200159257847_100015361967 [1,1,0,0,0,0|1,0,1]=4 1795 B7R0.3 C#CC(=O)CCSC 1458a_100000211873_100000751147 [1,1,0,0,0,0|0,0,2]=4 1796 B7R0.3 C#CCCC(=O)CC 1458a_100000210414_100000753159 [1,1,0,0,0,0|1,0,1]=4 1797 B7R0.3 C#CCCC(=O)CC 1458a_100000692101_100000210202 [1,1,0,0,0,0|1,0,1]=4 1798 B7R0.3 C#CCNC(=O)CC 11a_100000212058_100000210414 [1,1,0,0,0,0|1,0,1]=4 1799 B7R0.3 C#CCNC(=O)CC 1626a_100000212058_100000210414 [1,1,0,0,0,0|1,0,1]=4 1800 B7R0.3 C#CCNC(=O)CC 240690a_100000212058_100000210414 [1,1,0,0,0,0|1,0,1]=4 1801 B7R0.3 C#CCNC(=O)CC 527a_100000212058_100000210414 [1,1,0,0,0,0|1,0,1]=4 1802 B7R0.3 C/C=C/CC(=O)CC 1458a_100000210414_100102629194 [1,1,0,0,0,0|1,0,0]=3 1803 B7R0.3 C/C=C/CC(=O)CO 1458a_100000210174_100102629194 [1,1,0,0,0,0|2,0,0]=4 1804 B7R0.3 C=CC(=O)CCSC 1458a_100000185746_100000751147 [1,1,0,0,0,0|0,0,2]=4 1805 B7R0.3 C=CCCC(=O)CC 1458a_100000210414_100000754431 [1,1,0,0,0,0|1,0,1]=4 1806 B7R0.3 C=CCCC(=O)CC 1458a_100000749702_100000210202 [1,1,0,0,0,0|1,0,1]=4 1807 B7R0.3 C=CCNC(=O)CC 1626a_100020586998_100000210414 [1,1,0,0,0,0|1,0,1]=4 1808 B7R0.3 C=CCNC(=O)CC 240690a_100020586998_100000210414 [1,1,0,0,0,0|1,0,1]=4 1809 B7R0.3 C=CCNC(=O)CC 527a_100020586998_100000210414 [1,1,0,0,0,0|1,0,1]=4 1810 B7R0.3 CC#CCC(=O)CC 1458a_100000210414_100000748600 [1,1,0,0,0,0|1,0,0]=3 1811 B7R0.3 CC#CCC(=O)CO 1458a_100000210174_100000748600 [1,1,0,0,0,0|2,0,0]=4 1812 B7R0.3 CC=CCC(=O)CC 1458a_100000210414_100000070051 [1,1,0,0,0,0|1,0,0]=3 1813 B7R0.3 CC=CCC(=O)CC 1458a_100121576822_100000210202 [1,1,0,0,0,0|1,0,0]=3 1814 B7R0.3 CC=CCC(=O)CF 1458a_100121576822_100015361967 [1,1,0,0,0,0|2,0,0]=4 1815 B7R0.3 CC=CCC(=O)CO 1458a_100000210174_100000070051 [1,1,0,0,0,0|2,0,0]=4 1816 B7R0.3 CC=CCC(=O)NC 11a_106832991635_100121576822 [1,1,0,0,0,0|2,0,0]=4 1817 B7R0.3 CC=CCC(=O)NC 1626a_100102657272_100121576822 [1,1,0,0,0,0|2,0,0]=4 1818 B7R0.3 CC=CCC(=O)NC 240690a_100102657272_100121576822 [1,1,0,0,0,0|2,0,0]=4 1819 B7R0.3 CC=CCC(=O)NC 527a_100102657272_100121576822 [1,1,0,0,0,0|2,0,0]=4 1820 B7R0.3 CC=NNC(=O)CC 4a_100000183195_200000210099 [1,1,0,0,0,0|1,0,1]=4 1821 B7R0.3 CCC#CC(=O)CC 1458a_100011827653_100000210202 [1,1,0,0,0,0|1,0,0]=3 1822 B7R0.3 CCC#CC(=O)CF 1458a_100011827653_100015361967 [1,1,0,0,0,0|2,0,0]=4 1823 B7R0.3 CCC(=O)C#CCO 1458a_100000049017_100000210202 [1,1,0,0,0,0|1,0,1]=4 1824 B7R0.3 CCC(=O)C=COC 1458a_100016268678_100000210202 [1,1,0,0,0,0|0,1,1]=4 1825 B7R0.3 CCC(=O)CCC#N 1458a_100000210414_100011215226 [1,1,0,0,0,0|1,0,1]=4 1826 B7R0.3 CCC(=O)CCC#N 1458a_100011934036_100000210202 [1,1,0,0,0,0|1,0,1]=4 1827 B7R0.3 CCC(=O)CCCF 1458a_100000210414_100011934791 [1,1,0,0,0,0|1,0,0]=3 1828 B7R0.3 CCC(=O)CCCO 1458a_100000210414_100011215043 [1,1,0,0,0,0|1,0,0]=3 1829 B7R0.3 CCC(=O)CCOC 1458a_100000210414_100000233755 [1,1,0,0,0,0|0,1,0]=3 1830 B7R0.3 CCC(=O)CCOC 1458a_100000749529_100000210202 [1,1,0,0,0,0|0,1,0]=3 1831 B7R0.3 CCC(=O)CCSC 1458a_100000174002_100000210202 [1,1,0,0,0,0|0,0,0]=2 1832 B7R0.3 CCC(=O)CCSC 1458a_100000210414_100000751147 [1,1,0,0,0,0|0,0,0]=2 1833 B7R0.3 CCC(=O)COCF 34a_100000725409_100015361967 [1,1,0,0,0,0|0,1,0]=3 1834 B7R0.3 CCC(=O)CSCF 62a_100000747405_100015361967 [1,1,0,0,0,0|0,0,0]=2 1835 B7R0.3 CCC(=O)CSCF 62a_100015361967_100000747405 [1,1,0,0,0,0|0,0,0]=2 1836 B7R0.3 CCC(=O)NCC#N 1626a_100000734998_100000210414 [1,1,0,0,0,0|1,0,1]=4 1837 B7R0.3 CCC(=O)NCC#N 527a_100000734998_100000210414 [1,1,0,0,0,0|1,0,1]=4 1838 B7R0.3 CCC(=O)NCCF 11a_100000724931_100000210414 [1,1,0,0,0,0|1,0,0]=3 1839 B7R0.3 CCC(=O)NCCF 1626a_100000724931_100000210414 [1,1,0,0,0,0|1,0,0]=3 1840 B7R0.3 CCC(=O)NCCF 240690a_100000724931_100000210414 [1,1,0,0,0,0|1,0,0]=3 1841 B7R0.3 CCC(=O)NCCF 527a_100000724931_100000210414 [1,1,0,0,0,0|1,0,0]=3 1842 B7R0.3 CCC(=O)NCCO 240690a_100000210304_100000210414 [1,1,0,0,0,0|1,0,0]=3 1843 B7R0.3 CCC(=O)NCCO 527a_100000210304_100000210414 [1,1,0,0,0,0|1,0,0]=3 1844 B7R0.3 CCC(C)CSCF 62a_100000748023_100015361967 [1,1,0,0,0,0|1,0,1]=4 1845 B7R0.3 CCC(C)CSCF 62a_100015361967_100000748023 [1,1,0,0,0,0|1,0,1]=4 1846 B7R0.3 CCC(C)NCSC 2230a_100000209981_100011218213 [1,1,0,0,0,0|1,0,1]=4 1847 B7R0.3 CCC(C)OCCBr 34a_100000211926_100011215416 [1,1,0,0,0,0|1,0,1]=4 1848 B7R0.3 CCC(C)OCCF 7a_100000210228_100011217306 [1,1,0,0,0,0|1,0,1]=4 1849 B7R0.3 CCC(C)OCCN 34a_100000210304_100011215416 [1,1,0,0,0,0|1,0,1]=4 1850 B7R0.3 CCC(C)OCCO 7a_100000210228_100000211926 [1,1,0,0,0,0|1,0,1]=4 1851 B7R0.3 CCC(C)SCSC 62a_100000758301_100011218213 [1,1,0,0,0,0|1,0,1]=4 1852 B7R0.3 CCC(C)SCSC 62a_100011218213_100000758301 [1,1,0,0,0,0|1,0,1]=4 1853 B7R0.3 CCC(O)CSCF 62a_100011218378_100015361967 [1,1,0,0,0,0|0,0,2]=4 1854 B7R0.3 CCC(O)CSCF 62a_100015361967_100011218378 [1,1,0,0,0,0|0,0,2]=4 1855 B7R0.3 CCC=CC(=O)CC 1458a_100000212282_100000210202 [1,1,0,0,0,0|1,0,0]=3 1856 B7R0.3 CCC=CC(=O)CF 1458a_100000212282_100015361967 [1,1,0,0,0,0|2,0,0]=4 1857 B7R0.3 CCC=CC(=O)NC 11a_106832991635_100000212282 [1,1,0,0,0,0|2,0,0]=4 1858 B7R0.3 CCC=CC(=O)NC 1626a_100102657272_100000212282 [1,1,0,0,0,0|2,0,0]=4 1859 B7R0.3 CCC=CC(=O)NC 240690a_100102657272_100000212282 [1,1,0,0,0,0|2,0,0]=4 1860 B7R0.3 CCCCC(=O)CC 1458a_100000210183_100000210202 [1,1,0,0,0,0|1,0,0]=3 1861 B7R0.3 CCCCC(=O)CC 1458a_100000210414_100000210211 [1,1,0,0,0,0|1,0,0]=3 1862 B7R0.3 CCCCC(=O)CF 1458a_100000210183_100015361967 [1,1,0,0,0,0|2,0,0]=4 1863 B7R0.3 CCCCC(=O)CO 1458a_100000210174_100000210211 [1,1,0,0,0,0|1,1,0]=4 1864 B7R0.3 CCCCC(=O)NC 11a_106832991635_100000210183 [1,1,0,0,0,0|2,0,0]=4 1865 B7R0.3 CCCCC(=O)NC 1626a_100102657272_100000210183 [1,1,0,0,0,0|2,0,0]=4 1866 B7R0.3 CCCCC(=O)NC 240690a_100102657272_100000210183 [1,1,0,0,0,0|2,0,0]=4 1867 B7R0.3 CCCCC(=O)NC 527a_100102657272_100000210183 [1,1,0,0,0,0|2,0,0]=4 1868 B7R0.3 CCCNC(=O)CC 11a_100020643023_100000210414 [1,1,0,0,0,0|1,0,0]=3 1869 B7R0.3 CCCNC(=O)CC 1626a_100020643023_100000210414 [1,1,0,0,0,0|1,0,0]=3 1870 B7R0.3 CCCNC(=O)CC 240690a_100020643023_100000210414 [1,1,0,0,0,0|1,0,0]=3 1871 B7R0.3 CCCNC(=O)CC 527a_100020643023_100000210414 [1,1,0,0,0,0|1,0,0]=3 1872 B7R0.3 CCCNC(=O)CO 240690a_100020643023_100000210174 [1,1,0,0,0,0|1,1,0]=4 1873 B7R0.3 CCCNC(=O)CO 527a_100020643023_100000210174 [1,1,0,0,0,0|1,1,0]=4 1874 B7R0.3 CCCNC(=O)NC 2708a_100020643023_106832991635 [1,1,0,0,0,0|2,0,0]=4 1875 B7R0.3 CCCNC(=O)NC 2708a_100102657272_100020643023 [1,1,0,0,0,0|2,0,0]=4 1876 B7R0.3 CCCNC(=O)NC 273464a_100020643023_100102657272 [1,1,0,0,0,0|2,0,0]=4 1877 B7R0.3 CCCNC(=O)NC 273464a_100102657272_100020643023 [1,1,0,0,0,0|2,0,0]=4 1878 B7R0.3 CCCNC(=O)NC 512a_100020643023_100102657272 [1,1,0,0,0,0|2,0,0]=4 1879 B7R0.3 CCCNC(=O)NC 512a_106832991638_100020643023 [1,1,0,0,0,0|2,0,0]=4 1880 B7R0.3 CCCOC(C)CC 34a_100000210258_100011215416 [1,1,0,0,0,0|1,0,1]=4 1881 B7R0.3 CCCOC(C)CC 7a_100000210228_100000210303 [1,1,0,0,0,0|1,0,1]=4 1882 B7R0.3 CCN(C)CCSC 2230a_100000225621_100000751147 [1,1,0,0,0,0|2,0,0]=4 1883 B7R0.3 CCN(C)CCSC 2230a_100000686725_100000210202 [1,1,0,0,0,0|2,0,0]=4 1884 B7R0.3 CCN(C)CCSC 269982a_100000225621_100000212216 [1,1,0,0,0,0|2,0,0]=4 1885 B7R0.3 CCN(C)CCSC 269982a_100000686725_100000204670 [1,1,0,0,0,0|2,0,0]=4 1886 B7R0.3 CCNCC(=O)NC 2230a_100000693194_100000210202 [1,1,0,0,0,0|2,0,0]=4 1887 B7R0.3 CCNCC(=O)NC 2230a_100015525214_100000183359 [1,1,0,0,0,0|2,0,0]=4 1888 B7R0.3 CCNCC(=O)OC 2230a_100015525214_100000747449 [1,1,0,0,0,0|1,0,0]=3 1889 B7R0.3 CCNNC(=O)CC 22a_100000756455_100000210414 [1,1,0,0,0,0|1,0,0]=3 1890 B7R0.3 CCNNC(=O)CO 22a_100000756455_100000210174 [1,1,0,0,0,0|1,1,0]=4 1891 B7R0.3 CCNNC(=O)NC 273464a_100102657272_100000756455 [1,1,0,0,0,0|2,0,0]=4 1892 B7R0.3 CCNNC(=O)NC 512a_100000756455_100102657272 [1,1,0,0,0,0|2,0,0]=4 1893 B7R0.3 CCNNC(=O)NC 512a_106832991638_100000756455 [1,1,0,0,0,0|2,0,0]=4 1894 B7R0.3 CCOCC(=O)CC 1458a_100000211967_100000210202 [1,1,0,0,0,0|0,0,0]=2 1895 B7R0.3 CCOCC(=O)CC 34a_100000725409_100000210202 [1,1,0,0,0,0|0,0,0]=2 1896 B7R0.3 CCOCC(=O)CF 1458a_100000211967_100015361967 [1,1,0,0,0,0|1,0,0]=3 1897 B7R0.3 CCOCC(=O)NC 11a_106832991635_100000211967 [1,1,0,0,0,0|1,0,0]=3 1898 B7R0.3 CCOCC(=O)NC 1626a_100102657272_100000211967 [1,1,0,0,0,0|1,0,0]=3 1899 B7R0.3 CCOCC(=O)NC 240690a_100102657272_100000211967 [1,1,0,0,0,0|1,0,0]=3 1900 B7R0.3 CCOCC(=O)NC 34a_100000750040_100000210202 [1,1,0,0,0,0|1,0,0]=3 1901 B7R0.3 CCOCC(=O)NC 34a_100121572206_100000183359 [1,1,0,0,0,0|1,0,0]=3 1902 B7R0.3 CCOCC(=O)NC 527a_100102657272_100000211967 [1,1,0,0,0,0|1,0,0]=3 1903 B7R0.3 CCOCC(=O)OC 34a_100121572206_100000747449 [1,1,0,0,0,0|0,1,0]=3 1904 B7R0.3 CCOCC(C)CC 34a_100121572206_100000748023 [1,1,0,0,0,0|1,0,1]=4 1905 B7R0.3 CCOCC(O)CC 34a_100121572206_100011218378 [1,1,0,0,0,0|0,0,2]=4 1906 B7R0.3 CCOCN(C)CC 269982a_100000225621_100000739092 [1,1,0,0,0,0|2,0,0]=4 1907 B7R0.3 CCOC[C@@H](C)CC 34a_100121572206_100009816398 [1,1,0,0,0,0|1,0,1]=4 1908 B7R0.3 CCOC[C@@H](C)CC 7a_100009816381_100000210202 [1,1,0,0,0,0|1,0,1]=4 1909 B7R0.3 CCSCC(=O)CC 1458a_100000230394_100000210202 [1,1,0,0,0,0|0,0,0]=2 1910 B7R0.3 CCSCC(=O)CC 62a_100000210202_100000747405 [1,1,0,0,0,0|0,0,0]=2 1911 B7R0.3 CCSCC(=O)CC 62a_100000747405_100000210202 [1,1,0,0,0,0|0,0,0]=2 1912 B7R0.3 CCSCC(=O)CF 1458a_100000230394_100015361967 [1,1,0,0,0,0|1,0,0]=3 1913 B7R0.3 CCSCC(=O)NC 11a_106832991635_100000230394 [1,1,0,0,0,0|1,0,0]=3 1914 B7R0.3 CCSCC(=O)NC 1626a_100102657272_100000230394 [1,1,0,0,0,0|1,0,0]=3 1915 B7R0.3 CCSCC(=O)NC 240690a_100102657272_100000230394 [1,1,0,0,0,0|1,0,0]=3 1916 B7R0.3 CCSCC(=O)NC 527a_100102657272_100000230394 [1,1,0,0,0,0|1,0,0]=3 1917 B7R0.3 CCSCC(=O)NC 62a_100000183359_100000210202 [1,1,0,0,0,0|1,0,0]=3 1918 B7R0.3 CCSCC(=O)NC 62a_100000210202_100000183359 [1,1,0,0,0,0|1,0,0]=3 1919 B7R0.3 CCSCC(=O)OC 62a_100000210202_100000747449 [1,1,0,0,0,0|0,0,0]=2 1920 B7R0.3 CCSCC(=O)OC 62a_100000747449_100000210202 [1,1,0,0,0,0|0,0,0]=2 1921 B7R0.3 CCSCC(C)CC 62a_100000210202_100000748023 [1,1,0,0,0,0|1,0,1]=4 1922 B7R0.3 CCSCC(C)CC 62a_100000748023_100000210202 [1,1,0,0,0,0|1,0,1]=4 1923 B7R0.3 CCSCC(O)CC 62a_100000210202_100011218378 [1,1,0,0,0,0|0,0,2]=4 1924 B7R0.3 CCSCC(O)CC 62a_100011218378_100000210202 [1,1,0,0,0,0|0,0,2]=4 1925 B7R0.3 CCSC[C@@H](C)CC 62a_100000210202_100009816398 [1,1,0,0,0,0|1,0,1]=4 1926 B7R0.3 CCSC[C@@H](C)CC 62a_100009816398_100000210202 [1,1,0,0,0,0|1,0,1]=4 1927 B7R0.3 CC[C@H](C)CSCF 62a_100009816398_100015361967 [1,1,0,0,0,0|1,0,1]=4 1928 B7R0.3 CC[C@H](C)CSCF 62a_100015361967_100009816398 [1,1,0,0,0,0|1,0,1]=4 1929 B7R0.3 CNC(=O)CCN[13CH3] 2230a_100000738227_200025704644 [1,1,0,0,0,0|2,0,0]=4 1930 B7R0.3 CNC(=O)CCN[13CH3] 34a_100000738227_200025704644 [1,1,0,0,0,0|2,0,0]=4 1931 B7R0.3 CNC(=O)CCOC 11a_106832991635_100000749529 [1,1,0,0,0,0|1,1,0]=4 1932 B7R0.3 CNC(=O)CCOC 1626a_100102657272_100000749529 [1,1,0,0,0,0|1,1,0]=4 1933 B7R0.3 CNC(=O)CCOC 240690a_100102657272_100000749529 [1,1,0,0,0,0|1,1,0]=4 1934 B7R0.3 CNC(=O)CCOC 34a_100000754576_200000210301 [1,1,0,0,0,0|1,1,0]=4 1935 B7R0.3 CNC(=O)CCOC 34a_100138415774_100012179268 [1,1,0,0,0,0|1,1,0]=4 1936 B7R0.3 CNC(=O)CCOC 527a_100102657272_100000749529 [1,1,0,0,0,0|1,1,0]=4 1937 B7R0.3 CNC(=O)CCO[13CH3] 34a_100000754576_200025704644 [1,1,0,0,0,0|1,1,0]=4 1938 B7R0.3 CNC(=O)CCSC 11a_106832991635_100000174002 [1,1,0,0,0,0|1,0,0]=3 1939 B7R0.3 CNC(=O)CCSC 1626a_100102657272_100000174002 [1,1,0,0,0,0|1,0,0]=3 1940 B7R0.3 CNC(=O)CCSC 240690a_100102657272_100000174002 [1,1,0,0,0,0|1,0,0]=3 1941 B7R0.3 CNC(=O)CCSC 527a_100102657272_100000174002 [1,1,0,0,0,0|1,0,0]=3 1942 B7R0.3 CNC(=O)CCSC 62a_100000737683_200000210301 [1,1,0,0,0,0|1,0,0]=3 1943 B7R0.3 CNC(=O)CCSC 62a_200000210301_100000737683 [1,1,0,0,0,0|1,0,0]=3 1944 B7R0.3 CNC(=O)CCS[13CH3] 62a_100000737683_200025704644 [1,1,0,0,0,0|1,0,0]=3 1945 B7R0.3 CNC(=O)CCS[13CH3] 62a_200025704644_100000737683 [1,1,0,0,0,0|1,0,0]=3 1946 B7R0.3 CNC(=O)COCF 34a_100000750040_100015361967 [1,1,0,0,0,0|1,1,0]=4 1947 B7R0.3 CNC(=O)CSCF 62a_100000183359_100015361967 [1,1,0,0,0,0|1,0,0]=3 1948 B7R0.3 CNC(=O)CSCF 62a_100015361967_100000183359 [1,1,0,0,0,0|1,0,0]=3 1949 B7R0.3 CNC(=O)NCCF 2708a_100102657272_100000724931 [1,1,0,0,0,0|2,0,0]=4 1950 B7R0.3 CNC(=O)NCCF 273464a_100000724931_100102657272 [1,1,0,0,0,0|2,0,0]=4 1951 B7R0.3 CNC(=O)NCCF 273464a_100102657272_100000724931 [1,1,0,0,0,0|2,0,0]=4 1952 B7R0.3 CNC(=O)NCCF 512a_106832991638_100000724931 [1,1,0,0,0,0|2,0,0]=4 1953 B7R0.3 CNC(=O)NCCO 2708a_100102657272_100000210304 [1,1,0,0,0,0|2,0,0]=4 1954 B7R0.3 CNC(=O)NCCO 273464a_100000210304_100102657272 [1,1,0,0,0,0|2,0,0]=4 1955 B7R0.3 CNC(=O)NCCO 273464a_100102657272_100000210304 [1,1,0,0,0,0|2,0,0]=4 1956 B7R0.3 CNC(=O)NCCO 512a_106832991638_100000210304 [1,1,0,0,0,0|2,0,0]=4 1957 B7R0.3 CNCCC(=O)NC 2230a_100000738227_200000210301 [1,1,0,0,0,0|2,0,0]=4 1958 B7R0.3 CNCCC(=O)NC 2230a_106832991635_100000737683 [1,1,0,0,0,0|2,0,0]=4 1959 B7R0.3 CNCCC(=O)NC 34a_100000738227_200000210301 [1,1,0,0,0,0|2,0,0]=4 1960 B7R0.3 CNCCC(=O)NC 34a_100102657272_100012179268 [1,1,0,0,0,0|2,0,0]=4 1961 B7R0.3 CNCCC(=O)NC 7a_106832991635_100000737683 [1,1,0,0,0,0|2,0,0]=4 1962 B7R0.3 CNCCC(=O)OC 2230a_106832991635_100000204255 [1,1,0,0,0,0|1,0,0]=3 1963 B7R0.3 CNCCC(=O)OC 34a_100102657272_100000742370 [1,1,0,0,0,0|1,0,0]=3 1964 B7R0.3 CNCCC(=O)OC 7a_106832991635_100000204255 [1,1,0,0,0,0|1,0,0]=3 1965 B7R0.3 COC(=O)CCSC 62a_100000204255_200000210301 [1,1,0,0,0,0|0,0,0]=2 1966 B7R0.3 COC(=O)CCSC 62a_200000210301_100000204255 [1,1,0,0,0,0|0,0,0]=2 1967 B7R0.3 COC(=O)CCS[13CH3] 62a_100000204255_200025704644 [1,1,0,0,0,0|0,0,0]=2 1968 B7R0.3 COC(=O)CCS[13CH3] 62a_200025704644_100000204255 [1,1,0,0,0,0|0,0,0]=2 1969 B7R0.3 COC(=O)CSCF 62a_100000747449_100015361967 [1,1,0,0,0,0|0,0,0]=2 1970 B7R0.3 COC(=O)CSCF 62a_100015361967_100000747449 [1,1,0,0,0,0|0,0,0]=2 1971 B7R0.3 COC(=O)OCSC 62a_200000210301_100000139417 [1,1,0,0,0,0|0,0,0]=2 1972 B7R0.3 COC(=O)OCS[13CH3] 62a_200025704644_100000139417 [1,1,0,0,0,0|0,0,0]=2 1973 B7R0.3 COC(C)SCSC 62a_100009879195_100011218213 [1,1,0,0,0,0|1,0,1]=4 1974 B7R0.3 COC(C)SCSC 62a_100011218213_100009879195 [1,1,0,0,0,0|1,0,1]=4 1975 B7R0.3 COCCC(=O)CF 1458a_100000749529_100015361967 [1,1,0,0,0,0|1,1,0]=4 1976 B7R0.3 COCCC(=O)CO 1458a_100000210174_100000233755 [1,1,0,0,0,0|1,1,0]=4 1977 B7R0.3 COCCC(=O)OC 34a_100138415774_100000742370 [1,1,0,0,0,0|0,1,0]=3 1978 B7R0.3 CSCCC(=O)CF 1458a_100000174002_100015361967 [1,1,0,0,0,0|1,0,0]=3 1979 B7R0.3 CSCCC(=O)CO 1458a_100000210174_100000751147 [1,1,0,0,0,0|1,0,0]=3 1980 B7R0.3 O=C(CO)CCCF 1458a_100000210174_100011934791 [1,1,0,0,0,0|1,1,0]=4 1981 B7R0.3 O=C(CO)CCCO 1458a_100000210174_100011215043 [1,1,0,0,0,0|1,1,0]=4 1982 B7R0.3 O=C(CO)NCCF 240690a_100000724931_100000210174 [1,1,0,0,0,0|1,1,0]=4 1983 B7R0.3 O=C(CO)NCCF 527a_100000724931_100000210174 [1,1,0,0,0,0|1,1,0]=4 1984 B7R0.3 O=C(CO)NCCO 240690a_100000210304_100000210174 [1,1,0,0,0,0|1,1,0]=4 1985 B7R0.3 O=C(CO)NCCO 527a_100000210304_100000210174 [1,1,0,0,0,0|1,1,0]=4 1986 B7R0.5 C#CCC(=O)C(C)C 1458a_100000210198_100000184674 [1,1,0,0,0,0|1,0,1]=4 1987 B7R0.5 C#CCC(=O)C(C)C 1458a_100011220946_100000210206 [1,1,0,0,0,0|1,0,1]=4 1988 B7R0.5 C#CCC(=O)C(C)F 1458a_100000062450_100000184674 [1,1,0,0,0,0|1,0,1]=4 1989 B7R0.5 C#CCC(=O)[C@@H](C)O 1458a_100000717761_100000184674 [1,1,0,0,0,0|1,0,1]=4 1990 B7R0.5 C#CCC(=O)[C@H](C)O 1458a_217856618621_100000184674 [1,1,0,0,0,0|1,0,1]=4 1991 B7R0.5 C=C(C)C(=O)CCC 1458a_100000185857_100000210303 [1,1,0,0,0,0|1,0,1]=4 1992 B7R0.5 C=C(C)C(=O)NCC 11a_100015525214_100000185857 [1,1,0,0,0,0|1,0,1]=4 1993 B7R0.5 C=CCC(=O)C(C)C 1458a_100000210193_100000210206 [1,1,0,0,0,0|1,0,1]=4 1994 B7R0.5 C=CCC(=O)C(C)C 1458a_100000210198_100000210623 [1,1,0,0,0,0|1,0,1]=4 1995 B7R0.5 C=CCC(=O)C(C)F 1458a_100000062450_100000210623 [1,1,0,0,0,0|1,0,1]=4 1996 B7R0.5 C=CCC(=O)[C@@H](C)O 1458a_100000717761_100000210623 [1,1,0,0,0,0|1,0,1]=4 1997 B7R0.5 C=CCC(=O)[C@H](C)O 1458a_217856618621_100000210623 [1,1,0,0,0,0|1,0,1]=4 1998 B7R0.5 CC#CC(=O)C(C)C 1458a_100000763181_100000210206 [1,1,0,0,0,0|1,0,1]=4 1999 B7R0.5 CC(=O)C(=O)CS[13CH3] 62a_100011261029_200025704644 [1,1,0,0,0,0|0,0,1]=3 2000 B7R0.5 CC(=O)C(=O)CS[13CH3] 62a_200025704644_100011261029 [1,1,0,0,0,0|0,0,1]=3 2001 B7R0.5 CC(C)C(=O)CC#N 1458a_100000210198_100011214920 [1,1,0,0,0,0|2,0,0]=4 2002 B7R0.5 CC(C)C(=O)CC#N 1458a_100051588842_100000210206 [1,1,0,0,0,0|2,0,0]=4 2003 B7R0.5 CC(C)C(=O)CCF 1458a_100000210198_100011217306 [1,1,0,0,0,0|2,0,0]=4 2004 B7R0.5 CC(C)C(=O)CCO 1458a_100000210198_100000211926 [1,1,0,0,0,0|2,0,0]=4 2005 B7R0.5 CC(C)C(=O)CCO 1458a_100011216618_100000210206 [1,1,0,0,0,0|2,0,0]=4 2006 B7R0.5 CC(C)C(=O)CS[13CH3] 62a_100000753385_200025704644 [1,1,0,0,0,0|0,0,0]=2 2007 B7R0.5 CC(C)C(=O)CS[13CH3] 62a_200025704644_100000753385 [1,1,0,0,0,0|0,0,0]=2 2008 B7R0.5 CC(F)C(=O)CC#N 1458a_100000062450_100011214920 [1,1,0,0,0,0|2,0,0]=4 2009 B7R0.5 CC(F)C(=O)CCF 1458a_100000062450_100011217306 [1,1,0,0,0,0|2,0,0]=4 2010 B7R0.5 CC(F)C(=O)CCO 1458a_100000062450_100000211926 [1,1,0,0,0,0|2,0,0]=4 2011 B7R0.5 CC=CC(=O)C(C)C 1458a_100000210699_100000210206 [1,1,0,0,0,0|1,0,1]=4 2012 B7R0.5 CCCC(=O)C(C)C 1458a_100000210198_100000210303 [1,1,0,0,0,0|1,0,0]=3 2013 B7R0.5 CCCC(=O)C(C)C 1458a_100000211992_100000210206 [1,1,0,0,0,0|1,0,0]=3 2014 B7R0.5 CCCC(=O)C(C)F 1458a_100000062450_100000210303 [1,1,0,0,0,0|1,0,0]=3 2015 B7R0.5 CCCC(=O)C(O)O 1458a_100000233687_100000210303 [1,1,0,0,0,0|1,1,0]=4 2016 B7R0.5 CCCC(=O)N(C)C 11a_100102631434_100000211992 [1,1,0,0,0,0|2,0,0]=4 2017 B7R0.5 CCCC(=O)N(C)C 1626a_100102631434_100000211992 [1,1,0,0,0,0|2,0,0]=4 2018 B7R0.5 CCCC(=O)N(C)C 240690a_100102631434_100000211992 [1,1,0,0,0,0|2,0,0]=4 2019 B7R0.5 CCCC(=O)N(C)C 527a_100102631434_100000211992 [1,1,0,0,0,0|2,0,0]=4 2020 B7R0.5 CCCC(=O)[C@@H](C)O 1458a_100000717761_100000210303 [1,1,0,0,0,0|1,0,0]=3 2021 B7R0.5 CCCC(=O)[C@H](C)O 1458a_217856618621_100000210303 [1,1,0,0,0,0|1,0,0]=3 2022 B7R0.5 CCNC(=O)C(=O)C 1458a_200011297158_200000210301 [1,1,0,0,0,0|1,0,1]=4 2023 B7R0.5 CCNC(=O)C(=O)[13CH3] 1458a_200011297158_200025704644 [1,1,0,0,0,0|1,0,1]=4 2024 B7R0.5 CCNC(=O)C(C)C 11a_100015525214_100000210198 [1,1,0,0,0,0|1,0,0]=3 2025 B7R0.5 CCNC(=O)C(C)C 240690a_100015525214_100000210198 [1,1,0,0,0,0|1,0,0]=3 2026 B7R0.5 CCNC(=O)C(C)C 527a_100015525214_100000210198 [1,1,0,0,0,0|1,0,0]=3 2027 B7R0.5 CCNC(=O)C(C)F 11a_100015525214_100000062450 [1,1,0,0,0,0|1,0,0]=3 2028 B7R0.5 CCNC(=O)C(C)F 240690a_100015525214_100000062450 [1,1,0,0,0,0|1,0,0]=3 2029 B7R0.5 CCNC(=O)C(C)F 527a_100015525214_100000062450 [1,1,0,0,0,0|1,0,0]=3 2030 B7R0.5 CCNC(=O)C(F)F 11a_100015525214_100000210393 [1,1,0,0,0,0|2,0,0]=4 2031 B7R0.5 CCNC(=O)C(F)F 240690a_100015525214_100000210393 [1,1,0,0,0,0|2,0,0]=4 2032 B7R0.5 CCNC(=O)C(F)F 527a_100015525214_100000210393 [1,1,0,0,0,0|2,0,0]=4 2033 B7R0.5 CCNC(=O)C(O)O 240690a_100015525214_100000233687 [1,1,0,0,0,0|1,1,0]=4 2034 B7R0.5 CCNC(=O)N(C)C 2708a_100015525214_100102631434 [1,1,0,0,0,0|2,0,0]=4 2035 B7R0.5 CCNC(=O)[C@@H](C)O 240690a_100015525214_100000717761 [1,1,0,0,0,0|1,0,0]=3 2036 B7R0.5 CCNC(=O)[C@H](C)O 240690a_100015525214_217856618621 [1,1,0,0,0,0|1,0,0]=3 2037 B7R0.5 CCOC(C)C(C)C 7a_100000748068_100000210202 [1,1,0,0,0,0|1,0,1]=4 2038 B7R0.5 CN(C)C(=O)CN[13CH3] 2230a_100015183351_200025704644 [1,1,0,0,0,0|2,0,0]=4 2039 B7R0.5 CN(C)C(=O)CS[13CH3] 62a_100000692301_200025704644 [1,1,0,0,0,0|1,0,0]=3 2040 B7R0.5 CN(C)C(=O)CS[13CH3] 62a_200025704644_100000692301 [1,1,0,0,0,0|1,0,0]=3 2041 B7R0.5 CNCC(=O)C(=O)C 34a_100102657272_100011261029 [1,1,0,0,0,0|1,0,1]=4 2042 B7R0.5 CNCC(=O)C(C)C 2230a_106832991635_100000753385 [1,1,0,0,0,0|1,0,0]=3 2043 B7R0.5 CNCC(=O)C(C)C 34a_100102657272_100000753385 [1,1,0,0,0,0|1,0,0]=3 2044 B7R0.5 CNCC(=O)C(C)C 7a_106832991635_100000753385 [1,1,0,0,0,0|1,0,0]=3 2045 B7R0.5 CNCC(=O)N(C)C 2230a_100015183351_200000210301 [1,1,0,0,0,0|2,0,0]=4 2046 B7R0.5 CNCC(=O)N(C)C 2230a_106832991635_100000185267 [1,1,0,0,0,0|2,0,0]=4 2047 B7R0.5 CNCC(=O)N(C)C 34a_100102657272_100000692301 [1,1,0,0,0,0|2,0,0]=4 2048 B7R0.5 CNCC(=O)N(C)C 7a_106832991635_100000692301 [1,1,0,0,0,0|2,0,0]=4 2049 B7R0.5 CNNC(=O)C(C)C 22a_100016993582_100000210198 [1,1,0,0,0,0|2,0,0]=4 2050 B7R0.5 CNNC(=O)C(C)F 22a_100016993582_100000062450 [1,1,0,0,0,0|2,0,0]=4 2051 B7R0.5 CNNC(=O)[C@@H](C)O 22a_100016993582_100000717761 [1,1,0,0,0,0|2,0,0]=4 2052 B7R0.5 CNNC(=O)[C@H](C)O 22a_100016993582_217856618621 [1,1,0,0,0,0|2,0,0]=4 2053 B7R0.5 COCC(=O)C(=O)C 34a_100138415774_100011261029 [1,1,0,0,0,0|0,1,1]=4 2054 B7R0.5 COCC(=O)C(C)C 1458a_100000210968_100000210206 [1,1,0,0,0,0|0,1,0]=3 2055 B7R0.5 COCC(=O)C(C)C 34a_100138415774_100000753385 [1,1,0,0,0,0|0,1,0]=3 2056 B7R0.5 COCC(=O)N(C)C 11a_100102631434_100000210968 [1,1,0,0,0,0|1,1,0]=4 2057 B7R0.5 COCC(=O)N(C)C 1626a_100102631434_100000210968 [1,1,0,0,0,0|1,1,0]=4 2058 B7R0.5 COCC(=O)N(C)C 240690a_100102631434_100000210968 [1,1,0,0,0,0|1,1,0]=4 2059 B7R0.5 COCC(=O)N(C)C 34a_100138415774_100000692301 [1,1,0,0,0,0|1,1,0]=4 2060 B7R0.5 COCC(=O)N(C)C 527a_100102631434_100000210968 [1,1,0,0,0,0|1,1,0]=4 2061 B7R0.5 CSCC(=O)C(=O)C 62a_100011261029_200000210301 [1,1,0,0,0,0|0,0,1]=3 2062 B7R0.5 CSCC(=O)C(=O)C 62a_200000210301_100011261029 [1,1,0,0,0,0|0,0,1]=3 2063 B7R0.5 CSCC(=O)C(C)C 1458a_100000184570_100000210206 [1,1,0,0,0,0|0,0,0]=2 2064 B7R0.5 CSCC(=O)C(C)C 62a_100000753385_200000210301 [1,1,0,0,0,0|0,0,0]=2 2065 B7R0.5 CSCC(=O)C(C)C 62a_200000210301_100000753385 [1,1,0,0,0,0|0,0,0]=2 2066 B7R0.5 CSCC(=O)N(C)C 11a_100102631434_100000184570 [1,1,0,0,0,0|1,0,0]=3 2067 B7R0.5 CSCC(=O)N(C)C 1626a_100102631434_100000184570 [1,1,0,0,0,0|1,0,0]=3 2068 B7R0.5 CSCC(=O)N(C)C 240690a_100102631434_100000184570 [1,1,0,0,0,0|1,0,0]=3 2069 B7R0.5 CSCC(=O)N(C)C 527a_100102631434_100000184570 [1,1,0,0,0,0|1,0,0]=3 2070 B7R0.5 CSCC(=O)N(C)C 62a_100000692301_200000210301 [1,1,0,0,0,0|1,0,0]=3 2071 B7R0.5 CSCC(=O)N(C)C 62a_200000210301_100000692301 [1,1,0,0,0,0|1,0,0]=3 2072 B7R0.5 CSCN(C)C(C)C 269982a_200000211004_100011218213 [1,1,0,0,0,0|2,0,0]=4 2073 B7R0.5 C[C@@H](O)C(=O)CC#N 1458a_100000717761_100011214920 [1,1,0,0,0,0|2,0,0]=4 2074 B7R0.5 C[C@@H](O)C(=O)CCF 1458a_100000717761_100011217306 [1,1,0,0,0,0|2,0,0]=4 2075 B7R0.5 C[C@@H](O)C(=O)CCO 1458a_100000717761_100000211926 [1,1,0,0,0,0|2,0,0]=4 2076 B7R0.5 C[C@H](O)C(=O)CC#N 1458a_217856618621_100011214920 [1,1,0,0,0,0|2,0,0]=4 2077 B7R0.5 C[C@H](O)C(=O)CCF 1458a_217856618621_100011217306 [1,1,0,0,0,0|2,0,0]=4 2078 B7R0.5 C[C@H](O)C(=O)CCO 1458a_217856618621_100000211926 [1,1,0,0,0,0|2,0,0]=4 2079 B7R0.10 C#CC(C)C(=O)CC 1458a_100000210414_200000035995 [1,1,0,0,0,0|1,0,1]=4 2080 B7R0.10 C/C=C(\C)/C(=O)CC 1458a_100020587367_100000210202 [1,1,0,0,0,0|1,0,1]=4 2081 B7R0.10 C=CC(C)C(=O)CC 1458a_100011216780_100000210202 [1,1,0,0,0,0|1,0,1]=4 2082 B7R0.10 CCC(=O)C(=O)NC 1458a_100011218921_100000210202 [1,1,0,0,0,0|1,0,1]=4 2083 B7R0.10 CCC(=O)C(C)C#N 1458a_100000210414_100000703298 [1,1,0,0,0,0|2,0,0]=4 2084 B7R0.10 CCC(=O)C(C)C#N 1458a_100000753662_100000210202 [1,1,0,0,0,0|2,0,0]=4 2085 B7R0.10 CCC(=O)C(C)CC 1458a_100000210414_100000758301 [1,1,0,0,0,0|1,0,0]=3 2086 B7R0.10 CCC(=O)C(C)CC 1458a_100011192722_100000210202 [1,1,0,0,0,0|1,0,0]=3 2087 B7R0.10 CCC(=O)C(C)NC 2230a_106832991635_100000742827 [1,1,0,0,0,0|1,0,0]=3 2088 B7R0.10 CCC(=O)C(C)NC 7a_106832991635_100000742827 [1,1,0,0,0,0|1,0,0]=3 2089 B7R0.10 CCC(=O)C(C)OC 1458a_100000743197_100000210202 [1,1,0,0,0,0|0,1,0]=3 2090 B7R0.10 CCC(=O)C(C)SC 1458a_100000149566_100000210202 [1,1,0,0,0,0|0,0,0]=2 2091 B7R0.10 CCC(=O)C(C)SC 62a_100000742827_200000210301 [1,1,0,0,0,0|0,0,0]=2 2092 B7R0.10 CCC(=O)C(C)SC 62a_200000210301_100000742827 [1,1,0,0,0,0|0,0,0]=2 2093 B7R0.10 CCC(=O)C(C)S[13CH3] 62a_100000742827_200025704644 [1,1,0,0,0,0|0,0,0]=2 2094 B7R0.10 CCC(=O)C(C)S[13CH3] 62a_200025704644_100000742827 [1,1,0,0,0,0|0,0,0]=2 2095 B7R0.10 CCC(=O)C(O)CC 1458a_100011196387_100000210202 [1,1,0,0,0,0|1,0,0]=3 2096 B7R0.10 CCC(=O)C(O)CO 1458a_100011215603_100000210202 [1,1,0,0,0,0|2,0,0]=4 2097 B7R0.10 CCC(=O)N(C)CC 11a_100000225621_100000210414 [1,1,0,0,0,0|1,0,0]=3 2098 B7R0.10 CCC(=O)N(C)CC 1626a_100000225621_100000210414 [1,1,0,0,0,0|1,0,0]=3 2099 B7R0.10 CCC(=O)N(C)CC 240690a_100000225621_100000210414 [1,1,0,0,0,0|1,0,0]=3 2100 B7R0.10 CCC(=O)N(C)CC 527a_100000225621_100000210414 [1,1,0,0,0,0|1,0,0]=3 2101 B7R0.10 CCC(C)C(=O)CF 1458a_100011192722_100015361967 [1,1,0,0,0,0|2,0,0]=4 2102 B7R0.10 CCC(C)C(=O)CO 1458a_100000210174_100000758301 [1,1,0,0,0,0|1,1,0]=4 2103 B7R0.10 CCC(C)C(=O)NC 11a_106832991635_100011192722 [1,1,0,0,0,0|2,0,0]=4 2104 B7R0.10 CCC(C)C(=O)NC 1626a_100102657272_100011192722 [1,1,0,0,0,0|2,0,0]=4 2105 B7R0.10 CCC(C)C(=O)NC 240690a_100102657272_100011192722 [1,1,0,0,0,0|2,0,0]=4 2106 B7R0.10 CCC(C)C(=O)NC 527a_100102657272_100011192722 [1,1,0,0,0,0|2,0,0]=4 2107 B7R0.10 CCC(O)C(=O)CF 1458a_100011196387_100015361967 [1,1,0,0,0,0|2,0,0]=4 2108 B7R0.10 CCC(O)C(=O)NC 240690a_100102657272_100011196387 [1,1,0,0,0,0|2,0,0]=4 2109 B7R0.10 CCN(C)C(=O)CO 240690a_100000225621_100000210174 [1,1,0,0,0,0|1,1,0]=4 2110 B7R0.10 CCN(C)C(=O)CO 527a_100000225621_100000210174 [1,1,0,0,0,0|1,1,0]=4 2111 B7R0.10 CCN(C)C(=O)NC 2708a_100102657272_100000225621 [1,1,0,0,0,0|2,0,0]=4 2112 B7R0.10 CCN(C)C(=O)NC 273464a_100102657272_100000225621 [1,1,0,0,0,0|2,0,0]=4 2113 B7R0.10 CNC(=O)C(=O)OC 11a_106832991635_100000024059 [1,1,0,0,0,0|1,0,1]=4 2114 B7R0.10 CNC(=O)C(=O)OC 1626a_100102657272_100000024059 [1,1,0,0,0,0|1,0,1]=4 2115 B7R0.10 CNC(=O)C(=O)OC 240690a_100102657272_100000024059 [1,1,0,0,0,0|1,0,1]=4 2116 B7R0.10 CNC(=O)C(=O)OC 527a_100102657272_100000024059 [1,1,0,0,0,0|1,0,1]=4 2117 B7R0.10 CNC(=O)C(C)NC 2230a_106832991635_100000731044 [1,1,0,0,0,0|2,0,0]=4 2118 B7R0.10 CNC(=O)C(C)NC 34a_100102657272_100000731044 [1,1,0,0,0,0|2,0,0]=4 2119 B7R0.10 CNC(=O)C(C)NC 7a_106832991635_100000209862 [1,1,0,0,0,0|2,0,0]=4 2120 B7R0.10 CNC(=O)C(C)OC 11a_106832991635_100000743197 [1,1,0,0,0,0|1,1,0]=4 2121 B7R0.10 CNC(=O)C(C)OC 1626a_100102657272_100000743197 [1,1,0,0,0,0|1,1,0]=4 2122 B7R0.10 CNC(=O)C(C)OC 240690a_100102657272_100000743197 [1,1,0,0,0,0|1,1,0]=4 2123 B7R0.10 CNC(=O)C(C)OC 34a_100138415774_100000731044 [1,1,0,0,0,0|1,1,0]=4 2124 B7R0.10 CNC(=O)C(C)OC 527a_100102657272_100000743197 [1,1,0,0,0,0|1,1,0]=4 2125 B7R0.10 CNC(=O)C(C)SC 11a_106832991635_100000149566 [1,1,0,0,0,0|1,0,0]=3 2126 B7R0.10 CNC(=O)C(C)SC 1626a_100102657272_100000149566 [1,1,0,0,0,0|1,0,0]=3 2127 B7R0.10 CNC(=O)C(C)SC 240690a_100102657272_100000149566 [1,1,0,0,0,0|1,0,0]=3 2128 B7R0.10 CNC(=O)C(C)SC 527a_100102657272_100000149566 [1,1,0,0,0,0|1,0,0]=3 2129 B7R0.10 CNC(=O)C(C)SC 62a_100000209862_200000210301 [1,1,0,0,0,0|1,0,0]=3 2130 B7R0.10 CNC(=O)C(C)SC 62a_200000210301_100000731044 [1,1,0,0,0,0|1,0,0]=3 2131 B7R0.10 CNC(=O)C(C)S[13CH3] 62a_100000209862_200025704644 [1,1,0,0,0,0|1,0,0]=3 2132 B7R0.10 CNC(=O)C(C)S[13CH3] 62a_200025704644_100000731044 [1,1,0,0,0,0|1,0,0]=3 2133 B7R0.10 CNC(=O)C(F)NC 2230a_106832991635_100009813575 [1,1,0,0,0,0|2,0,0]=4 2134 B7R0.10 CNC(=O)C(F)NC 34a_100102657272_100009813575 [1,1,0,0,0,0|2,0,0]=4 2135 B7R0.10 CNC(=O)C(F)NC 7a_106832991635_100009813575 [1,1,0,0,0,0|2,0,0]=4 2136 B7R0.10 CNC(=O)C(F)OC 34a_100138415774_100009813575 [1,1,0,0,0,0|1,1,0]=4 2137 B7R0.10 CNC(=O)C(F)SC 62a_100009813575_200000210301 [1,1,0,0,0,0|1,0,0]=3 2138 B7R0.10 CNC(=O)C(F)SC 62a_200000210301_100009813575 [1,1,0,0,0,0|1,0,0]=3 2139 B7R0.10 CNC(=O)C(F)S[13CH3] 62a_100009813575_200025704644 [1,1,0,0,0,0|1,0,0]=3 2140 B7R0.10 CNC(=O)C(F)S[13CH3] 62a_200025704644_100009813575 [1,1,0,0,0,0|1,0,0]=3 2141 B7R0.10 CNC(=O)[C@@H](C)NC 2230a_100000684985_200000210301 [1,1,0,0,0,0|2,0,0]=4 2142 B7R0.10 CNC(=O)[C@@H](C)NC 34a_100000684985_200000210301 [1,1,0,0,0,0|2,0,0]=4 2143 B7R0.10 CNC(=O)[C@@H](C)N[13CH3] 2230a_100000684985_200025704644 [1,1,0,0,0,0|2,0,0]=4 2144 B7R0.10 CNC(=O)[C@@H](C)N[13CH3] 34a_100000684985_200025704644 [1,1,0,0,0,0|2,0,0]=4 2145 B7R0.10 CNC(C)C(=O)OC 2230a_106832991635_100000211248 [1,1,0,0,0,0|1,0,0]=3 2146 B7R0.10 CNC(C)C(=O)OC 34a_100102657272_100000211248 [1,1,0,0,0,0|1,0,0]=3 2147 B7R0.10 CNC(C)C(=O)OC 7a_106832991635_100000211248 [1,1,0,0,0,0|1,0,0]=3 2148 B7R0.10 COC(=O)C(C)OC 34a_100011215400_200000210301 [1,1,0,0,0,0|0,1,0]=3 2149 B7R0.10 COC(=O)C(C)OC 34a_100138415774_100000211248 [1,1,0,0,0,0|0,1,0]=3 2150 B7R0.10 COC(=O)C(C)O[13CH3] 34a_100011215400_200025704644 [1,1,0,0,0,0|0,1,0]=3 2151 B7R0.10 COC(=O)C(C)SC 62a_100000211248_200000210301 [1,1,0,0,0,0|0,0,0]=2 2152 B7R0.10 COC(=O)C(C)SC 62a_200000210301_100000211248 [1,1,0,0,0,0|0,0,0]=2 2153 B7R0.10 COC(=O)C(C)S[13CH3] 62a_100000211248_200025704644 [1,1,0,0,0,0|0,0,0]=2 2154 B7R0.10 COC(=O)C(C)S[13CH3] 62a_200025704644_100000211248 [1,1,0,0,0,0|0,0,0]=2 2155 B7R0.10 COC(C)C(=O)CF 1458a_100000743197_100015361967 [1,1,0,0,0,0|1,1,0]=4 2156 B7R0.10 CSC(C)C(=O)CF 1458a_100000149566_100015361967 [1,1,0,0,0,0|1,0,0]=3 2157 B7R0.11 CCNS(=O)(=O)CC 270084a_100015525214_100000211323 [1,1,0,0,0,0|2,0,0]=4 2158 B7R0.11 CCNS(=O)(=O)CC 274078a_100015525214_100000211323 [1,1,0,0,0,0|2,0,0]=4 2159 B7R0.11 CCNS(=O)(=O)CC 40a_100015525214_100000053943 [1,1,0,0,0,0|2,0,0]=4 2160 B7R0.11 CCOC(C)(C)CC 7a_100000210230_100000210202 [1,1,0,0,0,0|1,0,1]=4 2161 B7R0.11 COC(C)(C)CSC 62a_100000701081_200000210301 [1,1,0,0,0,0|1,0,1]=4 2162 B7R0.11 COC(C)(C)CSC 62a_200000210301_100000701081 [1,1,0,0,0,0|1,0,1]=4 2163 B7R0.11 COC(C)(C)CS[13CH3] 62a_100000701081_200025704644 [1,1,0,0,0,0|1,0,1]=4 2164 B7R0.11 COC(C)(C)CS[13CH3] 62a_200025704644_100000701081 [1,1,0,0,0,0|1,0,1]=4 2165 B7R0.12 C#CC(CC)OCC 34a_100000758843_100000210202 [1,1,0,0,0,0|1,0,1]=4 2166 B7R0.12 C#CC(CC)OCC 7a_100000758843_100000210202 [1,1,0,0,0,0|1,0,1]=4 2167 B7R0.12 C=CC(CC)OCC 34a_100000766422_100000210202 [1,1,0,0,0,0|1,0,1]=4 2168 B7R0.12 C=CC(CC)OCC 7a_100000766422_100000210202 [1,1,0,0,0,0|1,0,1]=4 2169 B7R0.12 CCC(CC)CSC 62a_100011215472_200000210301 [1,1,0,0,0,0|1,0,1]=4 2170 B7R0.12 CCC(CC)CSC 62a_200000210301_100011215472 [1,1,0,0,0,0|1,0,1]=4 2171 B7R0.12 CCC(CC)CS[13CH3] 62a_100011215472_200025704644 [1,1,0,0,0,0|1,0,1]=4 2172 B7R0.12 CCC(CC)CS[13CH3] 62a_200025704644_100011215472 [1,1,0,0,0,0|1,0,1]=4 2173 B7R0.12 CCN(CC)CSC 2230a_100000724800_100011218213 [1,1,0,0,0,0|2,0,0]=4 2174 B7R0.12 CCN(CC)CSC 269956a_100000042499_100011218213 [1,1,0,0,0,0|2,0,0]=4 2175 B7R0.12 CCN(CC)CSC 269982a_100000724800_100011218213 [1,1,0,0,0,0|2,0,0]=4 2176 B7R0.12 CCOC(CC)CC 7a_100000688536_100000210202 [1,1,0,0,0,0|1,0,1]=4 2177 B7R0.12 COC(CSC)OC 62a_100000751394_200000210301 [1,1,0,0,0,0|0,0,2]=4 2178 B7R0.12 COC(CSC)OC 62a_200000210301_100000751394 [1,1,0,0,0,0|0,0,2]=4 2179 B7R0.12 COC(CS[13CH3])OC 62a_100000751394_200025704644 [1,1,0,0,0,0|0,0,2]=4 2180 B7R0.12 COC(CS[13CH3])OC 62a_200025704644_100000751394 [1,1,0,0,0,0|0,0,2]=4 2181 B7R0.1 C#CCOCCSC 34a_100000210247_100000212216 [1,1,0,0,0,0|0,0,2]=4 2182 B7R0.1 C#CCOCCSC 34a_100000230434_100000184674 [1,1,0,0,0,0|0,0,2]=4 2183 B7R0.1 C#CCOCCSC 62a_100010402529_200000210301 [1,1,0,0,0,0|0,0,2]=4 2184 B7R0.1 C#CCOCCSC 62a_200000210301_100010402529 [1,1,0,0,0,0|0,0,2]=4 2185 B7R0.1 C#CCOCCSC 7a_100000230434_100000038162 [1,1,0,0,0,0|0,0,2]=4 2186 B7R0.1 C#CCOCCS[13CH3] 62a_100010402529_200025704644 [1,1,0,0,0,0|0,0,2]=4 2187 B7R0.1 C#CCOCCS[13CH3] 62a_200025704644_100010402529 [1,1,0,0,0,0|0,0,2]=4 2188 B7R0.1 C/C=C/CCOCC 34a_100016278192_100000210202 [1,1,0,0,0,0|1,0,1]=4 2189 B7R0.1 C=CCOCCSC 34a_100000230434_100015514636 [1,1,0,0,0,0|0,0,2]=4 2190 B7R0.1 C=CCOCCSC 34a_200000210373_100000212216 [1,1,0,0,0,0|0,0,2]=4 2191 B7R0.1 C=CCOCCSC 7a_100000230434_100015514636 [1,1,0,0,0,0|0,0,2]=4 2192 B7R0.1 CC#CCCOCC 34a_100000750427_100000210202 [1,1,0,0,0,0|1,0,1]=4 2193 B7R0.1 CC/C=C\CCNC 2230a_106832991635_100015370543 [1,1,0,0,0,0|2,0,0]=4 2194 B7R0.1 CC/C=C\CCNC 34a_100102657272_100015370543 [1,1,0,0,0,0|2,0,0]=4 2195 B7R0.1 CC/C=C\CCNC 7a_106832991635_100015370543 [1,1,0,0,0,0|2,0,0]=4 2196 B7R0.1 CC/C=C\CCOC 34a_100016288707_200000210301 [1,1,0,0,0,0|1,1,0]=4 2197 B7R0.1 CC/C=C\CCOC 34a_100138415774_100015370543 [1,1,0,0,0,0|1,1,0]=4 2198 B7R0.1 CC/C=C\CCOC 7a_100016288707_200000210301 [1,1,0,0,0,0|1,1,0]=4 2199 B7R0.1 CC/C=C\CCO[13CH3] 34a_100016288707_200025704644 [1,1,0,0,0,0|1,1,0]=4 2200 B7R0.1 CC/C=C\CCO[13CH3] 7a_100016288707_200025704644 [1,1,0,0,0,0|1,1,0]=4 2201 B7R0.1 CC/C=C\CCSC 62a_100015370543_200000210301 [1,1,0,0,0,0|1,0,0]=3 2202 B7R0.1 CC/C=C\CCSC 62a_200000210301_100015370543 [1,1,0,0,0,0|1,0,0]=3 2203 B7R0.1 CC/C=C\CCS[13CH3] 62a_100015370543_200025704644 [1,1,0,0,0,0|1,0,0]=3 2204 B7R0.1 CC/C=C\CCS[13CH3] 62a_200025704644_100015370543 [1,1,0,0,0,0|1,0,0]=3 2205 B7R0.1 CC/C=C\CNCC 2230a_100015525214_100103147603 [1,1,0,0,0,0|2,0,0]=4 2206 B7R0.1 CC/C=C\COCC 34a_100016268518_100000210202 [1,1,0,0,0,0|1,0,1]=4 2207 B7R0.1 CC/C=C\COCC 34a_100121572206_100103147603 [1,1,0,0,0,0|1,0,1]=4 2208 B7R0.1 CC/C=C\COCF 34a_100016268518_100015361967 [1,1,0,0,0,0|1,1,0]=4 2209 B7R0.1 CC/C=C\CSCC 62a_100000210202_100103147603 [1,1,0,0,0,0|1,0,0]=3 2210 B7R0.1 CC/C=C\CSCC 62a_100103147603_100000210202 [1,1,0,0,0,0|1,0,0]=3 2211 B7R0.1 CC/C=C\CSCF 62a_100015361967_100103147603 [1,1,0,0,0,0|1,0,0]=3 2212 B7R0.1 CC/C=C\CSCF 62a_100103147603_100015361967 [1,1,0,0,0,0|1,0,0]=3 2213 B7R0.1 CCC#CCSCC 62a_100000210202_100009813939 [1,1,0,0,0,0|1,0,1]=4 2214 B7R0.1 CCC#CCSCC 62a_100009813939_100000210202 [1,1,0,0,0,0|1,0,1]=4 2215 B7R0.1 CCC#CCSCF 62a_100009813939_100015361967 [1,1,0,0,0,0|1,0,1]=4 2216 B7R0.1 CCC#CCSCF 62a_100015361967_100009813939 [1,1,0,0,0,0|1,0,1]=4 2217 B7R0.1 CCC/C=C/COC 34a_100016278788_200000210301 [1,1,0,0,0,0|1,1,0]=4 2218 B7R0.1 CCC/C=C/COC 7a_100016278788_200000210301 [1,1,0,0,0,0|1,1,0]=4 2219 B7R0.1 CCC/C=C/CO[13CH3] 34a_100016278788_200025704644 [1,1,0,0,0,0|1,1,0]=4 2220 B7R0.1 CCC/C=C/CO[13CH3] 7a_100016278788_200025704644 [1,1,0,0,0,0|1,1,0]=4 2221 B7R0.1 CCCC=NNCC 4a_100000756455_100000185831 [1,1,0,0,0,0|2,0,0]=4 2222 B7R0.1 CCCCCCSC 62a_100000210314_200000210301 [1,1,0,0,0,0|1,0,1]=4 2223 B7R0.1 CCCCCCSC 62a_200000210301_100000210757 [1,1,0,0,0,0|1,0,1]=4 2224 B7R0.1 CCCCCCS[13CH3] 62a_100000210314_200025704644 [1,1,0,0,0,0|1,0,1]=4 2225 B7R0.1 CCCCCCS[13CH3] 62a_200025704644_100000210757 [1,1,0,0,0,0|1,0,1]=4 2226 B7R0.1 CCCCCOCC 34a_100000210253_100000210202 [1,1,0,0,0,0|1,0,1]=4 2227 B7R0.1 CCCCCOCC 34a_100121572206_100000718602 [1,1,0,0,0,0|1,0,1]=4 2228 B7R0.1 CCCCCOCC 7a_100000210253_100000210202 [1,1,0,0,0,0|1,0,1]=4 2229 B7R0.1 CCCCCSCC 62a_100000210202_100000210326 [1,1,0,0,0,0|1,0,1]=4 2230 B7R0.1 CCCCCSCC 62a_100000210326_100000210202 [1,1,0,0,0,0|1,0,1]=4 2231 B7R0.1 CCCCCSCF 62a_100000210326_100015361967 [1,1,0,0,0,0|1,0,1]=4 2232 B7R0.1 CCCCCSCF 62a_100015361967_100000210326 [1,1,0,0,0,0|1,0,1]=4 2233 B7R0.1 CCCCNCSC 2230a_100000102301_100011218213 [1,1,0,0,0,0|1,0,1]=4 2234 B7R0.1 CCCCOCCBr 34a_100000211926_100000210210 [1,1,0,0,0,0|1,0,1]=4 2235 B7R0.1 CCCCOCCC 34a_100000210227_100000210303 [1,1,0,0,0,0|1,0,1]=4 2236 B7R0.1 CCCCOCCC 34a_100000210258_100000210210 [1,1,0,0,0,0|1,0,1]=4 2237 B7R0.1 CCCCOCCC 7a_100000210227_100000210303 [1,1,0,0,0,0|1,0,1]=4 2238 B7R0.1 CCCCOCCF 34a_100000210227_100011217306 [1,1,0,0,0,0|1,0,1]=4 2239 B7R0.1 CCCCOCCF 7a_100000210227_100011217306 [1,1,0,0,0,0|1,0,1]=4 2240 B7R0.1 CCCCOCCN 34a_100000210304_100000210210 [1,1,0,0,0,0|1,0,1]=4 2241 B7R0.1 CCCCOCCO 34a_100000210227_100000211926 [1,1,0,0,0,0|1,0,1]=4 2242 B7R0.1 CCCCOCCO 7a_100000210227_100000211926 [1,1,0,0,0,0|1,0,1]=4 2243 B7R0.1 CCCCOCNC 2230a_106832991635_100011995733 [1,1,0,0,0,0|1,0,1]=4 2244 B7R0.1 CCCCOCNC 34a_100102657272_100011995733 [1,1,0,0,0,0|1,0,1]=4 2245 B7R0.1 CCCCOCOC 34a_100138415774_100011995733 [1,1,0,0,0,0|1,0,1]=4 2246 B7R0.1 CCCCOCSC 34a_100000210227_100011218213 [1,1,0,0,0,0|1,0,1]=4 2247 B7R0.1 CCCCOCSC 62a_100011995733_200000210301 [1,1,0,0,0,0|1,0,1]=4 2248 B7R0.1 CCCCOCSC 62a_200000210301_100011995733 [1,1,0,0,0,0|1,0,1]=4 2249 B7R0.1 CCCCOCS[13CH3] 62a_100011995733_200025704644 [1,1,0,0,0,0|1,0,1]=4 2250 B7R0.1 CCCCOCS[13CH3] 62a_200025704644_100011995733 [1,1,0,0,0,0|1,0,1]=4 2251 B7R0.1 CCCCSCSC 62a_100000210211_100011218213 [1,1,0,0,0,0|1,0,1]=4 2252 B7R0.1 CCCCSCSC 62a_100011218213_100000210210 [1,1,0,0,0,0|1,0,1]=4 2253 B7R0.1 CCCNCCSC 2230a_100020590264_100000210303 [1,1,0,0,0,0|1,0,1]=4 2254 B7R0.1 CCCOCCNC 2230a_100161115042_200000210301 [1,1,0,0,0,0|1,0,1]=4 2255 B7R0.1 CCCOCCNC 2230a_106832991635_100011215938 [1,1,0,0,0,0|1,0,1]=4 2256 B7R0.1 CCCOCCNC 34a_100102657272_100011215938 [1,1,0,0,0,0|1,0,1]=4 2257 B7R0.1 CCCOCCNC 34a_100161115042_200000210301 [1,1,0,0,0,0|1,0,1]=4 2258 B7R0.1 CCCOCCNC 7a_106832991635_100011215938 [1,1,0,0,0,0|1,0,1]=4 2259 B7R0.1 CCCOCCN[13CH3] 2230a_100161115042_200025704644 [1,1,0,0,0,0|1,0,1]=4 2260 B7R0.1 CCCOCCN[13CH3] 34a_100161115042_200025704644 [1,1,0,0,0,0|1,0,1]=4 2261 B7R0.1 CCCOCCOC 34a_100000210237_100000210303 [1,1,0,0,0,0|0,1,1]=4 2262 B7R0.1 CCCOCCOC 34a_100000210258_100011201679 [1,1,0,0,0,0|0,1,1]=4 2263 B7R0.1 CCCOCCOC 34a_100000752267_200000210301 [1,1,0,0,0,0|0,1,1]=4 2264 B7R0.1 CCCOCCOC 34a_100138415774_100011215938 [1,1,0,0,0,0|0,1,1]=4 2265 B7R0.1 CCCOCCOC 7a_100000752267_200000210301 [1,1,0,0,0,0|0,1,1]=4 2266 B7R0.1 CCCOCCO[13CH3] 34a_100000752267_200025704644 [1,1,0,0,0,0|0,1,1]=4 2267 B7R0.1 CCCOCCO[13CH3] 7a_100000752267_200025704644 [1,1,0,0,0,0|0,1,1]=4 2268 B7R0.1 CCCOCCSC 34a_100000210258_100000212216 [1,1,0,0,0,0|0,0,1]=3 2269 B7R0.1 CCCOCCSC 34a_100000230434_100000210303 [1,1,0,0,0,0|0,0,1]=3 2270 B7R0.1 CCCOCCSC 62a_100011215938_200000210301 [1,1,0,0,0,0|0,0,1]=3 2271 B7R0.1 CCCOCCSC 62a_200000210301_100011215938 [1,1,0,0,0,0|0,0,1]=3 2272 B7R0.1 CCCOCCSC 7a_100000230434_100000210303 [1,1,0,0,0,0|0,0,1]=3 2273 B7R0.1 CCCOCCS[13CH3] 62a_100011215938_200025704644 [1,1,0,0,0,0|0,0,1]=3 2274 B7R0.1 CCCOCCS[13CH3] 62a_200025704644_100011215938 [1,1,0,0,0,0|0,0,1]=3 2275 B7R0.1 CCCSCCSC 62a_100000210303_100000751147 [1,1,0,0,0,0|0,1,1]=4 2276 B7R0.1 CCCSCCSC 62a_100000212216_100000210303 [1,1,0,0,0,0|0,1,1]=4 2277 B7R0.1 CCCSCOCC 62a_100000210303_100000739092 [1,1,0,0,0,0|1,0,1]=4 2278 B7R0.1 CCCSCOCC 62a_100000739092_100000210303 [1,1,0,0,0,0|1,0,1]=4 2279 B7R0.1 CCNCCCSC 2230a_100000749238_100000210202 [1,1,0,0,0,0|1,0,1]=4 2280 B7R0.1 CCNCCOCC 2230a_100015525214_100011215890 [1,1,0,0,0,0|1,0,1]=4 2281 B7R0.1 CCNCCOCC 2230a_102516460346_100000210202 [1,1,0,0,0,0|1,0,1]=4 2282 B7R0.1 CCNCCOCC 34a_102516460346_100000210202 [1,1,0,0,0,0|1,0,1]=4 2283 B7R0.1 CCNCCSCC 2230a_100000106463_100000210202 [1,1,0,0,0,0|1,0,1]=4 2284 B7R0.1 CCNCCSCC 2230a_100015525214_100000757381 [1,1,0,0,0,0|1,0,1]=4 2285 B7R0.1 CCOCCCCBr 34a_100011216708_100000210202 [1,1,0,0,0,0|1,0,1]=4 2286 B7R0.1 CCOCCCCCl 34a_100000210776_100000210202 [1,1,0,0,0,0|1,0,1]=4 2287 B7R0.1 CCOCCCCCl 7a_100000210776_100000210202 [1,1,0,0,0,0|1,0,1]=4 2288 B7R0.1 CCOCCCCF 34a_100011995726_100000210202 [1,1,0,0,0,0|1,0,1]=4 2289 B7R0.1 CCOCCCCF 34a_100121572206_100000729493 [1,1,0,0,0,0|1,0,1]=4 2290 B7R0.1 CCOCCCCF 7a_100011995726_100000210202 [1,1,0,0,0,0|1,0,1]=4 2291 B7R0.1 CCOCCCCI 34a_200012148704_100000210202 [1,1,0,0,0,0|1,0,1]=4 2292 B7R0.1 CCOCCCCN 34a_100000750430_100000210202 [1,1,0,0,0,0|1,0,1]=4 2293 B7R0.1 CCOCCCCO 34a_100121572206_100011216708 [1,1,0,0,0,0|1,0,1]=4 2294 B7R0.1 CCOCCCNC 2230a_100000210961_200000210301 [1,1,0,0,0,0|1,0,1]=4 2295 B7R0.1 CCOCCCNC 2230a_106832991635_100012232248 [1,1,0,0,0,0|1,0,1]=4 2296 B7R0.1 CCOCCCNC 34a_100000210961_200000210301 [1,1,0,0,0,0|1,0,1]=4 2297 B7R0.1 CCOCCCNC 34a_100000213112_100000210202 [1,1,0,0,0,0|1,0,1]=4 2298 B7R0.1 CCOCCCNC 34a_100102657272_100012232248 [1,1,0,0,0,0|1,0,1]=4 2299 B7R0.1 CCOCCCNC 7a_106832991635_100012232248 [1,1,0,0,0,0|1,0,1]=4 2300 B7R0.1 CCOCCCN[13CH3] 2230a_100000210961_200025704644 [1,1,0,0,0,0|1,0,1]=4 2301 B7R0.1 CCOCCCN[13CH3] 34a_100000210961_200025704644 [1,1,0,0,0,0|1,0,1]=4 2302 B7R0.1 CCOCCCOC 34a_100000740835_100000210202 [1,1,0,0,0,0|0,1,1]=4 2303 B7R0.1 CCOCCCOC 34a_100000757476_200000210301 [1,1,0,0,0,0|0,1,1]=4 2304 B7R0.1 CCOCCCOC 34a_100121572206_100000740836 [1,1,0,0,0,0|0,1,1]=4 2305 B7R0.1 CCOCCCOC 34a_100138415774_100012232248 [1,1,0,0,0,0|0,1,1]=4 2306 B7R0.1 CCOCCCOC 7a_100000757476_200000210301 [1,1,0,0,0,0|0,1,1]=4 2307 B7R0.1 CCOCCCO[13CH3] 34a_100000757476_200025704644 [1,1,0,0,0,0|0,1,1]=4 2308 B7R0.1 CCOCCCO[13CH3] 7a_100000757476_200025704644 [1,1,0,0,0,0|0,1,1]=4 2309 B7R0.1 CCOCCCSC 34a_100000690336_100000210202 [1,1,0,0,0,0|0,0,1]=3 2310 B7R0.1 CCOCCCSC 62a_100012232248_200000210301 [1,1,0,0,0,0|0,0,1]=3 2311 B7R0.1 CCOCCCSC 62a_200000210301_100012232248 [1,1,0,0,0,0|0,0,1]=3 2312 B7R0.1 CCOCCCSC 7a_100000690336_100000210202 [1,1,0,0,0,0|0,0,1]=3 2313 B7R0.1 CCOCCCS[13CH3] 62a_100012232248_200025704644 [1,1,0,0,0,0|0,0,1]=3 2314 B7R0.1 CCOCCCS[13CH3] 62a_200025704644_100012232248 [1,1,0,0,0,0|0,0,1]=3 2315 B7R0.1 CCOCCNCF 34a_102516460346_100015361967 [1,1,0,0,0,0|1,0,1]=4 2316 B7R0.1 CCOCCOCC 34a_100000210136_100000210202 [1,1,0,0,0,0|0,1,1]=4 2317 B7R0.1 CCOCCOCC 34a_100121572206_100000210147 [1,1,0,0,0,0|0,1,1]=4 2318 B7R0.1 CCOCCOCC 7a_100000210136_100000210202 [1,1,0,0,0,0|0,1,1]=4 2319 B7R0.1 CCOCCOCF 34a_100000210136_100015361967 [1,1,0,0,0,0|0,1,1]=4 2320 B7R0.1 CCOCCOCF 7a_100000210136_100015361967 [1,1,0,0,0,0|0,1,1]=4 2321 B7R0.1 CCOCCSCC 34a_100000212035_100000210202 [1,1,0,0,0,0|0,0,1]=3 2322 B7R0.1 CCOCCSCC 34a_100121572206_100000757381 [1,1,0,0,0,0|0,0,1]=3 2323 B7R0.1 CCOCCSCC 62a_100000210147_100000210202 [1,1,0,0,0,0|0,0,1]=3 2324 B7R0.1 CCOCCSCC 62a_100000210202_100011215890 [1,1,0,0,0,0|0,0,1]=3 2325 B7R0.1 CCOCCSCC 7a_100000212035_100000210202 [1,1,0,0,0,0|0,0,1]=3 2326 B7R0.1 CCOCCSCF 62a_100000210147_100015361967 [1,1,0,0,0,0|0,0,1]=3 2327 B7R0.1 CCOCCSCF 62a_100015361967_100011215890 [1,1,0,0,0,0|0,0,1]=3 2328 B7R0.1 CCOCSCOC 62a_100000739092_100000766300 [1,1,0,0,0,0|0,1,1]=4 2329 B7R0.1 CCOCSCOC 62a_100000766300_100000739092 [1,1,0,0,0,0|0,1,1]=4 2330 B7R0.1 CCOCSCSC 62a_100000739092_100011218213 [1,1,0,0,0,0|0,0,1]=3 2331 B7R0.1 CCOCSCSC 62a_100011218213_100000739092 [1,1,0,0,0,0|0,0,1]=3 2332 B7R0.1 CCSCCOCF 34a_100000212035_100015361967 [1,1,0,0,0,0|1,0,1]=4 2333 B7R0.1 CCSCCOCF 7a_100000212035_100015361967 [1,1,0,0,0,0|1,0,1]=4 2334 B7R0.1 CCSCCSCC 62a_100000210202_100000757381 [1,1,0,0,0,0|0,1,1]=4 2335 B7R0.1 CCSCCSCC 62a_100000757381_100000210202 [1,1,0,0,0,0|0,1,1]=4 2336 B7R0.1 CCSCCSCF 62a_100000757381_100015361967 [1,1,0,0,0,0|0,1,1]=4 2337 B7R0.1 CCSCCSCF 62a_100015361967_100000757381 [1,1,0,0,0,0|0,1,1]=4 2338 B7R0.1 CNCCOCCO 2230a_100000211614_200000210301 [1,1,0,0,0,0|1,0,1]=4 2339 B7R0.1 CNCCOCCO 2230a_106832991635_100011215305 [1,1,0,0,0,0|1,0,1]=4 2340 B7R0.1 CNCCOCCO 34a_100000211614_200000210301 [1,1,0,0,0,0|1,0,1]=4 2341 B7R0.1 CNCCOCCO 34a_100102657272_100000692535 [1,1,0,0,0,0|1,0,1]=4 2342 B7R0.1 CNCCOCCO 7a_106832991635_100011215305 [1,1,0,0,0,0|1,0,1]=4 2343 B7R0.1 CNCOCCOC 2230a_106832991635_100000231047 [1,1,0,0,0,0|0,1,1]=4 2344 B7R0.1 COCCCCSC 34a_100011217163_200000210301 [1,1,0,0,0,0|1,0,1]=4 2345 B7R0.1 COCCCCSC 62a_100000730899_200000210301 [1,1,0,0,0,0|1,0,1]=4 2346 B7R0.1 COCCCCSC 62a_200000210301_100000730899 [1,1,0,0,0,0|1,0,1]=4 2347 B7R0.1 COCCCCSC 7a_100011217163_200000210301 [1,1,0,0,0,0|1,0,1]=4 2348 B7R0.1 COCCCCS[13CH3] 62a_100000730899_200025704644 [1,1,0,0,0,0|1,0,1]=4 2349 B7R0.1 COCCCCS[13CH3] 62a_200025704644_100000730899 [1,1,0,0,0,0|1,0,1]=4 2350 B7R0.1 COCCNCSC 2230a_100000209980_100011218213 [1,1,0,0,0,0|2,0,0]=4 2351 B7R0.1 COCCOCCBr 34a_100000211926_100011201679 [1,1,0,0,0,0|0,1,1]=4 2352 B7R0.1 COCCOCCBr 34a_100000692535_200000210301 [1,1,0,0,0,0|0,1,1]=4 2353 B7R0.1 COCCOCCBr 7a_100000692535_200000210301 [1,1,0,0,0,0|0,1,1]=4 2354 B7R0.1 COCCOCCCl 34a_100011215305_200000210301 [1,1,0,0,0,0|0,1,1]=4 2355 B7R0.1 COCCOCCCl 7a_100011215305_200000210301 [1,1,0,0,0,0|0,1,1]=4 2356 B7R0.1 COCCOCCF 34a_100000210237_100011217306 [1,1,0,0,0,0|0,1,1]=4 2357 B7R0.1 COCCOCCF 34a_200015357709_200000210301 [1,1,0,0,0,0|0,1,1]=4 2358 B7R0.1 COCCOCCF 7a_200015357709_200000210301 [1,1,0,0,0,0|0,1,1]=4 2359 B7R0.1 COCCOCCI 34a_100012149058_200000210301 [1,1,0,0,0,0|0,1,1]=4 2360 B7R0.1 COCCOCCI 7a_100012149058_200000210301 [1,1,0,0,0,0|0,1,1]=4 2361 B7R0.1 COCCOCCN 34a_100000210304_100011201679 [1,1,0,0,0,0|0,1,1]=4 2362 B7R0.1 COCCOCCN 34a_100000211614_200000210301 [1,1,0,0,0,0|0,1,1]=4 2363 B7R0.1 COCCOCCO 34a_100000210237_100000211926 [1,1,0,0,0,0|0,1,1]=4 2364 B7R0.1 COCCOCCO 34a_100138415774_100000692535 [1,1,0,0,0,0|0,1,1]=4 2365 B7R0.1 COCCOCSC 34a_100000210237_100011218213 [1,1,0,0,0,0|0,1,1]=4 2366 B7R0.1 COCCOCSC 62a_100000231047_200000210301 [1,1,0,0,0,0|0,1,1]=4 2367 B7R0.1 COCCOCSC 62a_200000210301_100000231047 [1,1,0,0,0,0|0,1,1]=4 2368 B7R0.1 COCCOCS[13CH3] 62a_100000231047_200025704644 [1,1,0,0,0,0|0,1,1]=4 2369 B7R0.1 COCCOCS[13CH3] 62a_200025704644_100000231047 [1,1,0,0,0,0|0,1,1]=4 2370 B7R0.1 COCCSCSC 62a_100000233755_100011218213 [1,1,0,0,0,0|2,0,0]=4 2371 B7R0.1 COCCSCSC 62a_100011218213_100000233755 [1,1,0,0,0,0|2,0,0]=4 2372 B7R0.1 COCNCCSC 2230a_100020590264_100000766300 [1,1,0,0,0,0|1,0,1]=4 2373 B7R0.1 COCSCCSC 62a_100000212216_100000766300 [1,1,0,0,0,0|0,1,1]=4 2374 B7R0.1 COCSCCSC 62a_100000766300_100000751147 [1,1,0,0,0,0|0,1,1]=4 2375 B7R0.1 CSCCCCCF 62a_100000729378_200000210301 [1,1,0,0,0,0|1,0,1]=4 2376 B7R0.1 CSCCCCCF 62a_200000210301_100000729378 [1,1,0,0,0,0|1,0,1]=4 2377 B7R0.1 CSCCCCCO 62a_100000746330_200000210301 [1,1,0,0,0,0|1,0,1]=4 2378 B7R0.1 CSCCCCCO 62a_200000210301_100000746330 [1,1,0,0,0,0|1,0,1]=4 2379 B7R0.1 CSCCCCO[13CH3] 34a_100011217163_200025704644 [1,1,0,0,0,0|1,0,1]=4 2380 B7R0.1 CSCCCCO[13CH3] 7a_100011217163_200025704644 [1,1,0,0,0,0|1,0,1]=4 2381 B7R0.1 CSCCCOCF 34a_100000690336_100015361967 [1,1,0,0,0,0|1,0,1]=4 2382 B7R0.1 CSCCCOCF 7a_100000690336_100015361967 [1,1,0,0,0,0|1,0,1]=4 2383 B7R0.1 CSCCNCCF 2230a_100020590264_100011217306 [1,1,0,0,0,0|1,0,1]=4 2384 B7R0.1 CSCCNCCF 34a_100000724931_100000212216 [1,1,0,0,0,0|1,0,1]=4 2385 B7R0.1 CSCCNCCO 2230a_100016997473_100000751147 [1,1,0,0,0,0|1,0,1]=4 2386 B7R0.1 CSCCNCCO 2230a_100020590264_100000211926 [1,1,0,0,0,0|1,0,1]=4 2387 B7R0.1 CSCCNCCO 34a_100016990907_100000212216 [1,1,0,0,0,0|1,0,1]=4 2388 B7R0.1 CSCCNCSC 2230a_100020590264_100011218213 [1,1,0,0,0,0|1,0,1]=4 2389 B7R0.1 CSCCOCC#N 62a_200000047693_200000210301 [1,1,0,0,0,0|0,0,2]=4 2390 B7R0.1 CSCCOCC#N 62a_200000210301_200000047693 [1,1,0,0,0,0|0,0,2]=4 2391 B7R0.1 CSCCOCC#N 7a_100000230434_100011215382 [1,1,0,0,0,0|0,0,2]=4 2392 B7R0.1 CSCCOCC=O 34a_100000230434_200009817547 [1,1,0,0,0,0|0,0,2]=4 2393 B7R0.1 CSCCOCC=O 7a_100000230434_200015260668 [1,1,0,0,0,0|0,0,2]=4 2394 B7R0.1 CSCCOCCBr 34a_100000211926_100000212216 [1,1,0,0,0,0|0,0,1]=3 2395 B7R0.1 CSCCOCCF 34a_100000230434_100011217306 [1,1,0,0,0,0|0,0,1]=3 2396 B7R0.1 CSCCOCCF 7a_100000230434_100011217306 [1,1,0,0,0,0|0,0,1]=3 2397 B7R0.1 CSCCOCCN 34a_100000210304_100000212216 [1,1,0,0,0,0|0,0,1]=3 2398 B7R0.1 CSCCOCCO 34a_100000230434_100000211926 [1,1,0,0,0,0|0,0,1]=3 2399 B7R0.1 CSCCOCCO 62a_100011215305_200000210301 [1,1,0,0,0,0|0,0,1]=3 2400 B7R0.1 CSCCOCCO 62a_200000210301_100011215305 [1,1,0,0,0,0|0,0,1]=3 2401 B7R0.1 CSCCOCCO 7a_100000230434_100000211926 [1,1,0,0,0,0|0,0,1]=3 2402 B7R0.1 CSCCOCSC 34a_100000230434_100011218213 [1,1,0,0,0,0|0,0,1]=3 2403 B7R0.1 CSCCSCCF 62a_100000212216_100011217306 [1,1,0,0,0,0|0,1,1]=4 2404 B7R0.1 CSCCSCCF 62a_100011217306_100000751147 [1,1,0,0,0,0|0,1,1]=4 2405 B7R0.1 CSCCSCCO 62a_100000211926_100000751147 [1,1,0,0,0,0|0,1,1]=4 2406 B7R0.1 CSCCSCCO 62a_100000212216_100000211926 [1,1,0,0,0,0|0,1,1]=4 2407 B7R0.1 CSCCSCSC 62a_100000212216_100011218213 [1,1,0,0,0,0|0,1,1]=4 2408 B7R0.1 CSCCSCSC 62a_100011218213_100000751147 [1,1,0,0,0,0|0,1,1]=4 2409 B7R0.1 CSCNCCCF 2230a_100015189416_100011218213 [1,1,0,0,0,0|2,0,0]=4 2410 B7R0.1 CSCNCCCF 34a_100015189416_100011218213 [1,1,0,0,0,0|2,0,0]=4 2411 B7R0.1 CSCOCCCBr 34a_100011217188_100011218213 [1,1,0,0,0,0|2,0,0]=4 2412 B7R0.1 CSCOCCCCl 34a_100000230001_100011218213 [1,1,0,0,0,0|2,0,0]=4 2413 B7R0.1 CSCOCCCF 34a_100000759539_100011218213 [1,1,0,0,0,0|2,0,0]=4 2414 B7R0.1 CSCOCCCN 34a_100000182051_100011218213 [1,1,0,0,0,0|2,0,0]=4 2415 B7R0.1 CSCSCCCF 62a_100011218213_100011934791 [1,1,0,0,0,0|2,0,0]=4 2416 B7R0.1 CSCSCCCF 62a_100011934791_100011218213 [1,1,0,0,0,0|2,0,0]=4 2417 B7R0.1 CSCSCCCO 62a_100011215043_100011218213 [1,1,0,0,0,0|2,0,0]=4 2418 B7R0.1 CSCSCCCO 62a_100011218213_100011215043 [1,1,0,0,0,0|2,0,0]=4 2419 B7R0.1 [13CH3]NCCOCCO 2230a_100000211614_200025704644 [1,1,0,0,0,0|1,0,1]=4 2420 B7R0.1 [13CH3]NCCOCCO 34a_100000211614_200025704644 [1,1,0,0,0,0|1,0,1]=4 2421 B7R0.1 [13CH3]OCCOCCBr 34a_100000692535_200025704644 [1,1,0,0,0,0|0,1,1]=4 2422 B7R0.1 [13CH3]OCCOCCBr 7a_100000692535_200025704644 [1,1,0,0,0,0|0,1,1]=4 2423 B7R0.1 [13CH3]OCCOCCCl 34a_100011215305_200025704644 [1,1,0,0,0,0|0,1,1]=4 2424 B7R0.1 [13CH3]OCCOCCCl 7a_100011215305_200025704644 [1,1,0,0,0,0|0,1,1]=4 2425 B7R0.1 [13CH3]OCCOCCF 34a_200015357709_200025704644 [1,1,0,0,0,0|0,1,1]=4 2426 B7R0.1 [13CH3]OCCOCCF 7a_200015357709_200025704644 [1,1,0,0,0,0|0,1,1]=4 2427 B7R0.1 [13CH3]OCCOCCI 34a_100012149058_200025704644 [1,1,0,0,0,0|0,1,1]=4 2428 B7R0.1 [13CH3]OCCOCCI 7a_100012149058_200025704644 [1,1,0,0,0,0|0,1,1]=4 2429 B7R0.1 [13CH3]OCCOCCN 34a_100000211614_200025704644 [1,1,0,0,0,0|0,1,1]=4 2430 B7R0.1 [13CH3]SCCCCCF 62a_100000729378_200025704644 [1,1,0,0,0,0|1,0,1]=4 2431 B7R0.1 [13CH3]SCCCCCF 62a_200025704644_100000729378 [1,1,0,0,0,0|1,0,1]=4 2432 B7R0.1 [13CH3]SCCCCCO 62a_100000746330_200025704644 [1,1,0,0,0,0|1,0,1]=4 2433 B7R0.1 [13CH3]SCCCCCO 62a_200025704644_100000746330 [1,1,0,0,0,0|1,0,1]=4 2434 B7R0.1 [13CH3]SCCOCC#N 62a_200000047693_200025704644 [1,1,0,0,0,0|0,0,2]=4 2435 B7R0.1 [13CH3]SCCOCC#N 62a_200025704644_200000047693 [1,1,0,0,0,0|0,0,2]=4 2436 B7R0.1 [13CH3]SCCOCCO 62a_100011215305_200025704644 [1,1,0,0,0,0|0,0,1]=3 2437 B7R0.1 [13CH3]SCCOCCO 62a_200025704644_100011215305 [1,1,0,0,0,0|0,0,1]=3 2438 B7R0.4 C=C(C)CCOCC 34a_100000764851_100000210202 [1,1,0,0,0,0|1,0,1]=4 2439 B7R0.4 C=C(C)CCOCC 34a_100121572206_100000730704 [1,1,0,0,0,0|1,0,1]=4 2440 B7R0.4 CC(=O)OCCS[13CH3] 62a_100009814007_200025704644 [1,1,0,0,0,0|0,0,2]=4 2441 B7R0.4 CC(=O)OCCS[13CH3] 62a_200025704644_100009814007 [1,1,0,0,0,0|0,0,2]=4 2442 B7R0.4 CC(C)CCCS[13CH3] 62a_100011214892_200025704644 [1,1,0,0,0,0|1,0,1]=4 2443 B7R0.4 CC(C)CCCS[13CH3] 62a_200025704644_100011214892 [1,1,0,0,0,0|1,0,1]=4 2444 B7R0.4 CC(C)OCCN[13CH3] 2230a_100000701111_200025704644 [1,1,0,0,0,0|1,0,1]=4 2445 B7R0.4 CC(C)OCCN[13CH3] 34a_100000701111_200025704644 [1,1,0,0,0,0|1,0,1]=4 2446 B7R0.4 CC(C)OCCO[13CH3] 34a_100000211219_200025704644 [1,1,0,0,0,0|0,1,1]=4 2447 B7R0.4 CC(C)OCCO[13CH3] 7a_100000211219_200025704644 [1,1,0,0,0,0|0,1,1]=4 2448 B7R0.4 CC(C)OCCS[13CH3] 62a_100000211751_200025704644 [1,1,0,0,0,0|0,0,1]=3 2449 B7R0.4 CC(C)OCCS[13CH3] 62a_200025704644_100000211751 [1,1,0,0,0,0|0,0,1]=3 2450 B7R0.4 CC(C)SCCS[13CH3] 62a_100000730970_200025704644 [1,1,0,0,0,0|0,1,1]=4 2451 B7R0.4 CC(C)SCCS[13CH3] 62a_200025704644_100000730970 [1,1,0,0,0,0|0,1,1]=4 2452 B7R0.4 CC(O)CCCS[13CH3] 62a_200000718107_200025704644 [1,1,0,0,0,0|1,0,1]=4 2453 B7R0.4 CC(O)CCCS[13CH3] 62a_200025704644_200000718107 [1,1,0,0,0,0|1,0,1]=4 2454 B7R0.4 CC/C=C/CC(=O)C 1458a_100016274230_200000210301 [1,1,0,0,0,0|2,0,0]=4 2455 B7R0.4 CC/C=C/CC(=O)[13CH3] 1458a_100016274230_200025704644 [1,1,0,0,0,0|2,0,0]=4 2456 B7R0.4 CC/C=C\CC(=O)C 1458a_100000070787_100103147603 [1,1,0,0,0,0|2,0,0]=4 2457 B7R0.4 CC/C=C\CN(C)C 2230a_100102631434_100103147603 [1,1,0,0,0,0|2,0,0]=4 2458 B7R0.4 CC/C=C\CN(C)C 269982a_100102631434_100103147603 [1,1,0,0,0,0|2,0,0]=4 2459 B7R0.4 CCCCOC(C)C 34a_100000210227_100000210206 [1,1,0,0,0,0|1,0,1]=4 2460 B7R0.4 CCCCOC(C)C 34a_100000212225_100000210210 [1,1,0,0,0,0|1,0,1]=4 2461 B7R0.4 CCCCOC(C)C 7a_100000210227_100000210206 [1,1,0,0,0,0|1,0,1]=4 2462 B7R0.4 CCOC=CC(=O)C 1458a_100016266692_200000210301 [1,1,0,0,0,0|1,0,1]=4 2463 B7R0.4 CCOC=CC(=O)[13CH3] 1458a_100016266692_200025704644 [1,1,0,0,0,0|1,0,1]=4 2464 B7R0.4 CCOCCC(=O)C 1458a_100000070787_100011215890 [1,1,0,0,0,0|1,0,1]=4 2465 B7R0.4 CCOCCC(=O)C 1458a_100000749530_200000210301 [1,1,0,0,0,0|1,0,1]=4 2466 B7R0.4 CCOCCC(=O)C 34a_100000759926_100000210202 [1,1,0,0,0,0|1,0,1]=4 2467 B7R0.4 CCOCCC(=O)C 7a_100000759926_100000210202 [1,1,0,0,0,0|1,0,1]=4 2468 B7R0.4 CCOCCC(=O)[13CH3] 1458a_100000749530_200025704644 [1,1,0,0,0,0|1,0,1]=4 2469 B7R0.4 CCOCCC(C)Br 34a_100009893172_100000210202 [1,1,0,0,0,0|1,0,1]=4 2470 B7R0.4 CCOCCC(C)C 34a_100000210254_100000210202 [1,1,0,0,0,0|1,0,1]=4 2471 B7R0.4 CCOCCC(C)C 34a_100121572206_100000210312 [1,1,0,0,0,0|1,0,1]=4 2472 B7R0.4 CCOCCC(C)C 7a_100000210254_100000210202 [1,1,0,0,0,0|1,0,1]=4 2473 B7R0.4 CCOCCC(C)O 34a_100121572206_100012276601 [1,1,0,0,0,0|1,0,1]=4 2474 B7R0.4 CCOCCN(C)C 2230a_100102631434_100011215890 [1,1,0,0,0,0|1,0,1]=4 2475 B7R0.4 CCOCCN(C)C 269982a_100102631434_100011215890 [1,1,0,0,0,0|1,0,1]=4 2476 B7R0.4 CCOCC[C@@H](C)N 34a_100000706166_100000210202 [1,1,0,0,0,0|1,0,1]=4 2477 B7R0.4 CNCCOC(C)C 2230a_100000701111_200000210301 [1,1,0,0,0,0|1,0,1]=4 2478 B7R0.4 CNCCOC(C)C 2230a_106832991635_100000211751 [1,1,0,0,0,0|1,0,1]=4 2479 B7R0.4 CNCCOC(C)C 34a_100000701111_200000210301 [1,1,0,0,0,0|1,0,1]=4 2480 B7R0.4 CNCCOC(C)C 34a_100102657272_100000211751 [1,1,0,0,0,0|1,0,1]=4 2481 B7R0.4 CNCCOC(C)C 7a_106832991635_100000211751 [1,1,0,0,0,0|1,0,1]=4 2482 B7R0.4 COCCOC(C)C 34a_100000210237_100000210206 [1,1,0,0,0,0|0,1,1]=4 2483 B7R0.4 COCCOC(C)C 34a_100000211219_200000210301 [1,1,0,0,0,0|0,1,1]=4 2484 B7R0.4 COCCOC(C)C 34a_100000212225_100011201679 [1,1,0,0,0,0|0,1,1]=4 2485 B7R0.4 COCCOC(C)C 34a_100138415774_100000211751 [1,1,0,0,0,0|0,1,1]=4 2486 B7R0.4 COCCOC(C)C 7a_100000211219_200000210301 [1,1,0,0,0,0|0,1,1]=4 2487 B7R0.4 CSCCCC(C)C 62a_100011214892_200000210301 [1,1,0,0,0,0|1,0,1]=4 2488 B7R0.4 CSCCCC(C)C 62a_200000210301_100011214892 [1,1,0,0,0,0|1,0,1]=4 2489 B7R0.4 CSCCCC(C)O 62a_200000210301_200000718107 [1,1,0,0,0,0|1,0,1]=4 2490 B7R0.4 CSCCCC(C)O 62a_200000718107_200000210301 [1,1,0,0,0,0|1,0,1]=4 2491 B7R0.4 CSCCNC(C)C 2230a_100020590264_100000210206 [1,1,0,0,0,0|1,0,1]=4 2492 B7R0.4 CSCCNC(C)C 2230a_100138425928_100000751147 [1,1,0,0,0,0|1,0,1]=4 2493 B7R0.4 CSCCNC(C)C 34a_100138425928_100000212216 [1,1,0,0,0,0|1,0,1]=4 2494 B7R0.4 CSCCOC(=O)C 62a_100009814007_200000210301 [1,1,0,0,0,0|0,0,2]=4 2495 B7R0.4 CSCCOC(=O)C 62a_200000210301_100009814007 [1,1,0,0,0,0|0,0,2]=4 2496 B7R0.4 CSCCOC(C)C 34a_100000212225_100000212216 [1,1,0,0,0,0|0,0,1]=3 2497 B7R0.4 CSCCOC(C)C 34a_100000230434_100000210206 [1,1,0,0,0,0|0,0,1]=3 2498 B7R0.4 CSCCOC(C)C 62a_100000211751_200000210301 [1,1,0,0,0,0|0,0,1]=3 2499 B7R0.4 CSCCOC(C)C 62a_200000210301_100000211751 [1,1,0,0,0,0|0,0,1]=3 2500 B7R0.4 CSCCOC(C)C 7a_100000230434_100000210206 [1,1,0,0,0,0|0,0,1]=3 2501 B7R0.4 CSCCSC(C)C 62a_100000210206_100000751147 [1,1,0,0,0,0|0,1,1]=4 2502 B7R0.4 CSCCSC(C)C 62a_100000212216_100000210206 [1,1,0,0,0,0|0,1,1]=4 2503 B7R0.4 CSCCSC(C)C 62a_100000730970_200000210301 [1,1,0,0,0,0|0,1,1]=4 2504 B7R0.4 CSCCSC(C)C 62a_200000210301_100000730970 [1,1,0,0,0,0|0,1,1]=4 2505 B7R0.4 CSCNCC(C)C 2230a_100000210953_100011218213 [1,1,0,0,0,0|2,0,0]=4 2506 B7R0.4 CSCNCC(C)C 34a_100000210953_100011218213 [1,1,0,0,0,0|2,0,0]=4 2507 B7R0.4 CSCNCC(C)O 2230a_100000210904_100011218213 [1,1,0,0,0,0|2,0,0]=4 2508 B7R0.4 CSCNCC(C)O 34a_100000210904_100011218213 [1,1,0,0,0,0|2,0,0]=4 2509 B7R0.4 CSCOCC(C)Br 34a_100012180447_100011218213 [1,1,0,0,0,0|2,0,0]=4 2510 B7R0.4 CSCOCC(C)C 34a_100000210257_100011218213 [1,1,0,0,0,0|2,0,0]=4 2511 B7R0.4 CSCOCC(C)F 34a_100015925927_100011218213 [1,1,0,0,0,0|2,0,0]=4 2512 B7R0.4 CSCOC[C@@H](C)Cl 34a_100016084084_100011218213 [1,1,0,0,0,0|2,0,0]=4 2513 B7R0.4 CSCOC[C@@H](C)N 34a_100000737577_100011218213 [1,1,0,0,0,0|2,0,0]=4 2514 B7R0.4 CSCSCC(C)C 62a_100000210624_100011218213 [1,1,0,0,0,0|2,0,0]=4 2515 B7R0.4 CSCSCC(C)C 62a_100011218213_100000210760 [1,1,0,0,0,0|2,0,0]=4 2516 B7R0.4 CSCSCC(C)O 62a_100011218213_100011218427 [1,1,0,0,0,0|2,0,0]=4 2517 B7R0.4 CSCSCC(C)O 62a_100011218427_100011218213 [1,1,0,0,0,0|2,0,0]=4 2518 B7R0.4 CSCSC[C@@H](C)O 62a_100009817552_100011218213 [1,1,0,0,0,0|2,0,0]=4 2519 B7R0.4 CSCSC[C@@H](C)O 62a_100011218213_100009817552 [1,1,0,0,0,0|2,0,0]=4 2520 B9R0.4 C/C=C/CC(=O)CC(C)C 1458a_100000210554_100102629194 [0,2,0,0,0,0|2,0,0]=4 2521 B9R0.4 C/C=C/CC(=O)C[C@@H](C)O 1458a_100011933948_100102629194 [0,2,0,0,0,0|2,0,0]=4 2522 B9R0.4 C=C(C)CC(=O)C#CCC 1458a_100011827653_100000748629 [0,2,0,0,0,0|2,0,0]=4 2523 B9R0.4 C=C(C)CC(=O)C=CCC 1458a_100000212282_100000748629 [0,2,0,0,0,0|2,0,0]=4 2524 B9R0.4 C=C(C)CC(=O)CCCC 1458a_100000210183_100000748629 [0,2,0,0,0,0|2,0,0]=4 2525 B9R0.4 C=C(C)CC(=O)CCOC 1458a_100000749529_100000748629 [0,2,0,0,0,0|2,0,0]=4 2526 B9R0.4 C=C(C)CC(=O)CCSC 1458a_100000174002_100000748629 [0,2,0,0,0,0|1,0,1]=4 2527 B9R0.4 C=C(C)CC(=O)COCC 1458a_100000211967_100000748629 [0,2,0,0,0,0|1,0,0]=3 2528 B9R0.4 C=C(C)CC(=O)CSCC 1458a_100000230394_100000748629 [0,2,0,0,0,0|1,0,1]=4 2529 B9R0.4 C=C(CC(=O)C)OCOC 1458a_100000070787_100000042856 [0,2,0,0,0,0|2,0,0]=4 2530 B9R0.4 C=C(CN(C)C)OCOC 269982a_100102631434_100000042856 [0,2,0,0,0,0|2,0,0]=4 2531 B9R0.4 C=C(F)CC(=O)COCC 1458a_100000211967_100009893438 [0,2,0,0,0,0|1,0,1]=4 2532 B9R0.4 C=CCOC(=O)CC(=O)C 1458a_100000070787_100000033060 [0,2,0,0,0,0|1,0,1]=4 2533 B9R0.4 C=CCOC(=O)CN(C)C 2230a_100102631434_100000033060 [0,2,0,0,0,0|1,0,1]=4 2534 B9R0.4 C=CCOC(=O)CN(C)C 269982a_100102631434_100000033060 [0,2,0,0,0,0|1,0,1]=4 2535 B9R0.4 CC#CCC(=O)CC(C)C 1458a_100000210554_100000748600 [0,2,0,0,0,0|2,0,0]=4 2536 B9R0.4 CC#CCC(=O)C[C@@H](C)O 1458a_100011933948_100000748600 [0,2,0,0,0,0|2,0,0]=4 2537 B9R0.4 CC(=O)NC(=O)CSCF 62a_100015361967_100000183797 [0,2,0,0,0,0|1,0,1]=4 2538 B9R0.4 CC(C)CC(=O)CCCF 1458a_100000210554_100011934791 [0,2,0,0,0,0|2,0,0]=4 2539 B9R0.4 CC(C)CC(=O)CCCO 1458a_100000210554_100011215043 [0,2,0,0,0,0|2,0,0]=4 2540 B9R0.4 CC(C)CC(=O)NCCF 11a_100000724931_100000210554 [0,2,0,0,0,0|2,0,0]=4 2541 B9R0.4 CC(C)CC(=O)NCCF 1626a_100000724931_100000210554 [0,2,0,0,0,0|2,0,0]=4 2542 B9R0.4 CC(C)CC(=O)NCCF 240690a_100000724931_100000210554 [0,2,0,0,0,0|2,0,0]=4 2543 B9R0.4 CC(C)CC(=O)NCCF 527a_100000724931_100000210554 [0,2,0,0,0,0|2,0,0]=4 2544 B9R0.4 CC(C)CC(=O)NCCO 240690a_100000210304_100000210554 [0,2,0,0,0,0|2,0,0]=4 2545 B9R0.4 CC(C)CC(=O)NCCO 527a_100000210304_100000210554 [0,2,0,0,0,0|2,0,0]=4 2546 B9R0.4 CC(C)NC(=O)CCS[13CH3] 62a_100000737564_200025704644 [0,2,0,0,0,0|1,0,0]=3 2547 B9R0.4 CC(C)NC(=O)CCS[13CH3] 62a_200025704644_100000737564 [0,2,0,0,0,0|1,0,0]=3 2548 B9R0.4 CC(C)NC(=O)CSCF 62a_100000183996_100015361967 [0,2,0,0,0,0|1,0,0]=3 2549 B9R0.4 CC(C)NC(=O)CSCF 62a_100015361967_100000183996 [0,2,0,0,0,0|1,0,0]=3 2550 B9R0.4 CC(C)OC(=O)CCS[13CH3] 62a_100000760027_200025704644 [0,2,0,0,0,0|0,0,0]=2 2551 B9R0.4 CC(C)OC(=O)CCS[13CH3] 62a_200025704644_100000760027 [0,2,0,0,0,0|0,0,0]=2 2552 B9R0.4 CC(C)OC(=O)CSCF 62a_100011215430_100015361967 [0,2,0,0,0,0|0,0,0]=2 2553 B9R0.4 CC(C)OC(=O)CSCF 62a_100015361967_100011215430 [0,2,0,0,0,0|0,0,0]=2 2554 B9R0.4 CC(C)OC(=O)OCS[13CH3] 62a_100000003507_200025704644 [0,2,0,0,0,0|0,0,0]=2 2555 B9R0.4 CC(C)OC(=O)OCS[13CH3] 62a_200025704644_100000003507 [0,2,0,0,0,0|0,0,0]=2 2556 B9R0.4 CC=CCC(=O)CC(C)C 1458a_100000210554_100000070051 [0,2,0,0,0,0|2,0,0]=4 2557 B9R0.4 CC=CCC(=O)CC(C)C 1458a_100121576822_100000210624 [0,2,0,0,0,0|2,0,0]=4 2558 B9R0.4 CC=CCC(=O)CC(C)O 1458a_100121576822_100011218427 [0,2,0,0,0,0|2,0,0]=4 2559 B9R0.4 CC=CCC(=O)C[C@@H](C)O 1458a_100011933948_100000070051 [0,2,0,0,0,0|2,0,0]=4 2560 B9R0.4 CC=CCC(=O)NC(C)C 11a_100138425928_100121576822 [0,2,0,0,0,0|2,0,0]=4 2561 B9R0.4 CC=CCC(=O)NC(C)C 1626a_100138425928_100121576822 [0,2,0,0,0,0|2,0,0]=4 2562 B9R0.4 CC=CCC(=O)NC(C)C 240690a_100138425928_100121576822 [0,2,0,0,0,0|2,0,0]=4 2563 B9R0.4 CC=CCC(=O)NC(C)C 527a_100138425928_100121576822 [0,2,0,0,0,0|2,0,0]=4 2564 B9R0.4 CCC#CC(=O)CC(C)C 1458a_100011827653_100000210624 [0,2,0,0,0,0|2,0,0]=4 2565 B9R0.4 CCC#CC(=O)CC(C)O 1458a_100011827653_100011218427 [0,2,0,0,0,0|2,0,0]=4 2566 B9R0.4 CCC=CC(=O)CC(C)C 1458a_100000212282_100000210624 [0,2,0,0,0,0|2,0,0]=4 2567 B9R0.4 CCC=CC(=O)CC(C)O 1458a_100000212282_100011218427 [0,2,0,0,0,0|2,0,0]=4 2568 B9R0.4 CCCCC(=O)CC(C)C 1458a_100000210183_100000210624 [0,2,0,0,0,0|2,0,0]=4 2569 B9R0.4 CCCCC(=O)CC(C)C 1458a_100000210554_100000210211 [0,2,0,0,0,0|2,0,0]=4 2570 B9R0.4 CCCCC(=O)CC(C)O 1458a_100000210183_100011218427 [0,2,0,0,0,0|2,0,0]=4 2571 B9R0.4 CCCCC(=O)CN(C)C 1458a_100000750896_100000210211 [0,2,0,0,0,0|2,0,0]=4 2572 B9R0.4 CCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210211 [0,2,0,0,0,0|2,0,0]=4 2573 B9R0.4 CCCCC(=O)C[S+](C)C 1458a_200159257847_100000210211 [0,2,0,0,0,0|1,0,1]=4 2574 B9R0.4 CCCCC(=O)NC(C)C 11a_100138425928_100000210183 [0,2,0,0,0,0|2,0,0]=4 2575 B9R0.4 CCCCC(=O)NC(C)C 1626a_100138425928_100000210183 [0,2,0,0,0,0|2,0,0]=4 2576 B9R0.4 CCCCC(=O)NC(C)C 240690a_100138425928_100000210183 [0,2,0,0,0,0|2,0,0]=4 2577 B9R0.4 CCCCC(=O)NC(C)C 527a_100138425928_100000210183 [0,2,0,0,0,0|2,0,0]=4 2578 B9R0.4 CCCNC(=O)CC(=O)C 1458a_100000070787_100000183358 [0,2,0,0,0,0|2,0,0]=4 2579 B9R0.4 CCCNC(=O)CC(C)C 11a_100020643023_100000210554 [0,2,0,0,0,0|2,0,0]=4 2580 B9R0.4 CCCNC(=O)CC(C)C 1626a_100020643023_100000210554 [0,2,0,0,0,0|2,0,0]=4 2581 B9R0.4 CCCNC(=O)CC(C)C 240690a_100020643023_100000210554 [0,2,0,0,0,0|2,0,0]=4 2582 B9R0.4 CCCNC(=O)CC(C)C 527a_100020643023_100000210554 [0,2,0,0,0,0|2,0,0]=4 2583 B9R0.4 CCCNC(=O)CN(C)C 11a_100020643023_100000750896 [0,2,0,0,0,0|2,0,0]=4 2584 B9R0.4 CCCNC(=O)CN(C)C 2230a_100000684209_200000210301 [0,2,0,0,0,0|2,0,0]=4 2585 B9R0.4 CCCNC(=O)CN(C)C 2230a_100102631434_100000183358 [0,2,0,0,0,0|2,0,0]=4 2586 B9R0.4 CCCNC(=O)CN(C)C 240690a_100020643023_100000750896 [0,2,0,0,0,0|2,0,0]=4 2587 B9R0.4 CCCNC(=O)CN(C)C 269982a_100000684209_200000210301 [0,2,0,0,0,0|2,0,0]=4 2588 B9R0.4 CCCNC(=O)CN(C)C 269982a_100102631434_100000183358 [0,2,0,0,0,0|2,0,0]=4 2589 B9R0.4 CCCNC(=O)CN(C)C 527a_100020643023_100000750896 [0,2,0,0,0,0|2,0,0]=4 2590 B9R0.4 CCCNC(=O)CN(C)[13CH3] 2230a_100000684209_200025704644 [0,2,0,0,0,0|2,0,0]=4 2591 B9R0.4 CCCNC(=O)CN(C)[13CH3] 269982a_100000684209_200025704644 [0,2,0,0,0,0|2,0,0]=4 2592 B9R0.4 CCCNC(=O)C[C@@H](C)O 240690a_100020643023_100011933948 [0,2,0,0,0,0|2,0,0]=4 2593 B9R0.4 CCCNC(=O)C[S+](C)C 11a_100020643023_200159257847 [0,2,0,0,0,0|1,0,1]=4 2594 B9R0.4 CCCNC(=O)C[S+](C)C 1626a_100020643023_200159257847 [0,2,0,0,0,0|1,0,1]=4 2595 B9R0.4 CCCNC(=O)C[S+](C)C 240690a_100020643023_200159257847 [0,2,0,0,0,0|1,0,1]=4 2596 B9R0.4 CCCNC(=O)C[S+](C)C 527a_100020643023_200159257847 [0,2,0,0,0,0|1,0,1]=4 2597 B9R0.4 CCCNC(=O)NC(C)C 2708a_100020643023_100138425928 [0,2,0,0,0,0|2,0,0]=4 2598 B9R0.4 CCCNC(=O)NC(C)C 2708a_100138425928_100020643023 [0,2,0,0,0,0|2,0,0]=4 2599 B9R0.4 CCCNC(=O)NC(C)C 273464a_100138425928_100020643023 [0,2,0,0,0,0|2,0,0]=4 2600 B9R0.4 CCCNC(=O)NC(C)C 512a_100020643023_100138425928 [0,2,0,0,0,0|2,0,0]=4 2601 B9R0.4 CCCNC(=O)NC(C)C 512a_100138425928_100020643023 [0,2,0,0,0,0|2,0,0]=4 2602 B9R0.4 CCCOC(=O)CC(=O)C 1458a_100000070787_200011215008 [0,2,0,0,0,0|1,0,0]=3 2603 B9R0.4 CCCOC(=O)CN(C)C 2230a_100102631434_200011215008 [0,2,0,0,0,0|1,0,0]=3 2604 B9R0.4 CCCOC(=O)CN(C)C 269982a_100102631434_200011215008 [0,2,0,0,0,0|1,0,0]=3 2605 B9R0.4 CCNCC(=O)NC(C)C 2230a_100000168517_100000210202 [0,2,0,0,0,0|2,0,0]=4 2606 B9R0.4 CCNCC(=O)NC(C)C 2230a_100015525214_100000183996 [0,2,0,0,0,0|2,0,0]=4 2607 B9R0.4 CCNCC(=O)OC(C)C 2230a_100015525214_100011215430 [0,2,0,0,0,0|1,0,0]=3 2608 B9R0.4 CCNNC(=O)CC(C)C 22a_100000756455_100000210554 [0,2,0,0,0,0|2,0,0]=4 2609 B9R0.4 CCNNC(=O)CN(C)C 22a_100000756455_100000750896 [0,2,0,0,0,0|2,0,0]=4 2610 B9R0.4 CCNNC(=O)C[C@@H](C)O 22a_100000756455_100011933948 [0,2,0,0,0,0|2,0,0]=4 2611 B9R0.4 CCNNC(=O)C[S+](C)C 22a_100000756455_200159257847 [0,2,0,0,0,0|1,0,1]=4 2612 B9R0.4 CCOCC(=O)CC(=O)N 1458a_100000211967_100000187820 [0,2,0,0,0,0|2,0,0]=4 2613 B9R0.4 CCOCC(=O)CC(=O)[O-] 1458a_100000211967_100020667443 [0,2,0,0,0,0|2,0,0]=4 2614 B9R0.4 CCOCC(=O)CC(C)C 1458a_100000211967_100000210624 [0,2,0,0,0,0|1,0,0]=3 2615 B9R0.4 CCOCC(=O)CC(C)O 1458a_100000211967_100011218427 [0,2,0,0,0,0|1,0,0]=3 2616 B9R0.4 CCOCC(=O)CC(F)F 1458a_100000211967_100011934356 [0,2,0,0,0,0|2,0,0]=4 2617 B9R0.4 CCOCC(=O)C[N+](=O)[O-] 1458a_100000211967_100000761209 [0,2,0,0,0,0|2,0,0]=4 2618 B9R0.4 CCOCC(=O)NC(C)C 11a_100138425928_100000211967 [0,2,0,0,0,0|1,1,0]=4 2619 B9R0.4 CCOCC(=O)NC(C)C 1626a_100138425928_100000211967 [0,2,0,0,0,0|1,1,0]=4 2620 B9R0.4 CCOCC(=O)NC(C)C 240690a_100138425928_100000211967 [0,2,0,0,0,0|1,1,0]=4 2621 B9R0.4 CCOCC(=O)NC(C)C 34a_100121572206_100000183996 [0,2,0,0,0,0|1,1,0]=4 2622 B9R0.4 CCOCC(=O)NC(C)C 527a_100138425928_100000211967 [0,2,0,0,0,0|1,1,0]=4 2623 B9R0.4 CCOCC(=O)OC(C)C 34a_100121572206_100011215430 [0,2,0,0,0,0|0,1,0]=3 2624 B9R0.4 CCSCC(=O)CC(C)C 1458a_100000230394_100000210624 [0,2,0,0,0,0|1,0,0]=3 2625 B9R0.4 CCSCC(=O)CC(C)O 1458a_100000230394_100011218427 [0,2,0,0,0,0|1,0,0]=3 2626 B9R0.4 CCSCC(=O)CC(F)F 1458a_100000230394_100011934356 [0,2,0,0,0,0|2,0,0]=4 2627 B9R0.4 CCSCC(=O)NC(=O)C 62a_100000210202_100000183797 [0,2,0,0,0,0|1,0,1]=4 2628 B9R0.4 CCSCC(=O)NC(C)C 11a_100138425928_100000230394 [0,2,0,0,0,0|1,0,0]=3 2629 B9R0.4 CCSCC(=O)NC(C)C 1626a_100138425928_100000230394 [0,2,0,0,0,0|1,0,0]=3 2630 B9R0.4 CCSCC(=O)NC(C)C 240690a_100138425928_100000230394 [0,2,0,0,0,0|1,0,0]=3 2631 B9R0.4 CCSCC(=O)NC(C)C 527a_100138425928_100000230394 [0,2,0,0,0,0|1,0,0]=3 2632 B9R0.4 CCSCC(=O)NC(C)C 62a_100000183996_100000210202 [0,2,0,0,0,0|1,0,0]=3 2633 B9R0.4 CCSCC(=O)NC(C)C 62a_100000210202_100000183996 [0,2,0,0,0,0|1,0,0]=3 2634 B9R0.4 CCSCC(=O)OC(C)C 62a_100000210202_100011215430 [0,2,0,0,0,0|0,0,0]=2 2635 B9R0.4 CCSCC(=O)OC(C)C 62a_100011215430_100000210202 [0,2,0,0,0,0|0,0,0]=2 2636 B9R0.4 CN(C)CC(=O)CCCF 1458a_100000750896_100011934791 [0,2,0,0,0,0|2,0,0]=4 2637 B9R0.4 CN(C)CC(=O)CCCO 1458a_100000750896_100011215043 [0,2,0,0,0,0|2,0,0]=4 2638 B9R0.4 CN(C)CC(=O)NCCF 11a_100000724931_100000750896 [0,2,0,0,0,0|2,0,0]=4 2639 B9R0.4 CN(C)CC(=O)NCCF 240690a_100000724931_100000750896 [0,2,0,0,0,0|2,0,0]=4 2640 B9R0.4 CN(C)CC(=O)NCCF 527a_100000724931_100000750896 [0,2,0,0,0,0|2,0,0]=4 2641 B9R0.4 CN(C)CC(=O)NCCO 240690a_100000210304_100000750896 [0,2,0,0,0,0|2,0,0]=4 2642 B9R0.4 CN(C)CC(=O)NCCO 527a_100000210304_100000750896 [0,2,0,0,0,0|2,0,0]=4 2643 B9R0.4 CNCCC(=O)NC(C)C 2230a_106832991635_100000737564 [0,2,0,0,0,0|2,0,0]=4 2644 B9R0.4 CNCCC(=O)NC(C)C 7a_106832991635_100000737564 [0,2,0,0,0,0|2,0,0]=4 2645 B9R0.4 CNCCC(=O)OC(C)C 2230a_106832991635_100000760027 [0,2,0,0,0,0|1,0,0]=3 2646 B9R0.4 CNCCC(=O)OC(C)C 7a_106832991635_100000760027 [0,2,0,0,0,0|1,0,0]=3 2647 B9R0.4 COCCC(=O)CC(C)C 1458a_100000210554_100000233755 [0,2,0,0,0,0|1,1,0]=4 2648 B9R0.4 COCCC(=O)CC(C)C 1458a_100000749529_100000210624 [0,2,0,0,0,0|1,1,0]=4 2649 B9R0.4 COCCC(=O)CC(C)O 1458a_100000749529_100011218427 [0,2,0,0,0,0|1,1,0]=4 2650 B9R0.4 COCCC(=O)CN(C)C 1458a_100000750896_100000233755 [0,2,0,0,0,0|2,0,0]=4 2651 B9R0.4 COCCC(=O)C[C@@H](C)O 1458a_100011933948_100000233755 [0,2,0,0,0,0|1,1,0]=4 2652 B9R0.4 COCCC(=O)C[S+](C)C 1458a_200159257847_100000233755 [0,2,0,0,0,0|1,0,1]=4 2653 B9R0.4 COCCC(=O)NC(C)C 11a_100138425928_100000749529 [0,2,0,0,0,0|1,1,0]=4 2654 B9R0.4 COCCC(=O)NC(C)C 1626a_100138425928_100000749529 [0,2,0,0,0,0|1,1,0]=4 2655 B9R0.4 COCCC(=O)NC(C)C 240690a_100138425928_100000749529 [0,2,0,0,0,0|1,1,0]=4 2656 B9R0.4 COCCC(=O)NC(C)C 527a_100138425928_100000749529 [0,2,0,0,0,0|1,1,0]=4 2657 B9R0.4 CSCCC(=O)C=C(C)C 1458a_100000211388_100000751147 [0,2,0,0,0,0|1,0,1]=4 2658 B9R0.4 CSCCC(=O)C=C(C)Cl 1458a_200042562850_100000751147 [0,2,0,0,0,0|1,0,1]=4 2659 B9R0.4 CSCCC(=O)C=C(C)I 1458a_100025716642_100000751147 [0,2,0,0,0,0|1,0,1]=4 2660 B9R0.4 CSCCC(=O)CC(C)C 1458a_100000174002_100000210624 [0,2,0,0,0,0|1,0,0]=3 2661 B9R0.4 CSCCC(=O)CC(C)C 1458a_100000210554_100000751147 [0,2,0,0,0,0|1,0,0]=3 2662 B9R0.4 CSCCC(=O)CC(C)O 1458a_100000174002_100011218427 [0,2,0,0,0,0|1,0,0]=3 2663 B9R0.4 CSCCC(=O)CC(F)F 1458a_100000174002_100011934356 [0,2,0,0,0,0|2,0,0]=4 2664 B9R0.4 CSCCC(=O)CN(C)C 1458a_100000750896_100000751147 [0,2,0,0,0,0|2,0,0]=4 2665 B9R0.4 CSCCC(=O)C[C@@H](C)O 1458a_100011933948_100000751147 [0,2,0,0,0,0|1,0,0]=3 2666 B9R0.4 CSCCC(=O)C[S+](C)C 1458a_200159257847_100000751147 [0,2,0,0,0,0|1,0,1]=4 2667 B9R0.4 CSCCC(=O)NC(C)C 11a_100138425928_100000174002 [0,2,0,0,0,0|1,0,0]=3 2668 B9R0.4 CSCCC(=O)NC(C)C 1626a_100138425928_100000174002 [0,2,0,0,0,0|1,0,0]=3 2669 B9R0.4 CSCCC(=O)NC(C)C 240690a_100138425928_100000174002 [0,2,0,0,0,0|1,0,0]=3 2670 B9R0.4 CSCCC(=O)NC(C)C 527a_100138425928_100000174002 [0,2,0,0,0,0|1,0,0]=3 2671 B9R0.4 CSCCC(=O)NC(C)C 62a_100000737564_200000210301 [0,2,0,0,0,0|1,0,0]=3 2672 B9R0.4 CSCCC(=O)NC(C)C 62a_200000210301_100000737564 [0,2,0,0,0,0|1,0,0]=3 2673 B9R0.4 CSCCC(=O)OC(C)C 62a_100000760027_200000210301 [0,2,0,0,0,0|0,0,0]=2 2674 B9R0.4 CSCCC(=O)OC(C)C 62a_200000210301_100000760027 [0,2,0,0,0,0|0,0,0]=2 2675 B9R0.4 CSCOC(=O)OC(C)C 62a_100000003507_200000210301 [0,2,0,0,0,0|0,0,0]=2 2676 B9R0.4 CSCOC(=O)OC(C)C 62a_200000210301_100000003507 [0,2,0,0,0,0|0,0,0]=2 2677 B9R0.4 C[C@@H](O)CC(=O)CCCF 1458a_100011933948_100011934791 [0,2,0,0,0,0|2,0,0]=4 2678 B9R0.4 C[C@@H](O)CC(=O)CCCO 1458a_100011933948_100011215043 [0,2,0,0,0,0|2,0,0]=4 2679 B9R0.4 C[C@@H](O)CC(=O)NCCF 240690a_100000724931_100011933948 [0,2,0,0,0,0|2,0,0]=4 2680 B9R0.4 C[C@@H](O)CC(=O)NCCO 240690a_100000210304_100011933948 [0,2,0,0,0,0|2,0,0]=4 2681 B9R0.4 C[S+](C)CC(=O)CCCF 1458a_200159257847_100011934791 [0,2,0,0,0,0|1,0,1]=4 2682 B9R0.4 C[S+](C)CC(=O)CCCO 1458a_200159257847_100011215043 [0,2,0,0,0,0|1,0,1]=4 2683 B9R0.4 C[S+](C)CC(=O)NCCF 11a_100000724931_200159257847 [0,2,0,0,0,0|1,0,1]=4 2684 B9R0.4 C[S+](C)CC(=O)NCCF 1626a_100000724931_200159257847 [0,2,0,0,0,0|1,0,1]=4 2685 B9R0.4 C[S+](C)CC(=O)NCCF 240690a_100000724931_200159257847 [0,2,0,0,0,0|1,0,1]=4 2686 B9R0.4 C[S+](C)CC(=O)NCCF 527a_100000724931_200159257847 [0,2,0,0,0,0|1,0,1]=4 2687 B9R0.4 C[S+](C)CC(=O)NCCO 240690a_100000210304_200159257847 [0,2,0,0,0,0|1,0,1]=4 2688 B9R0.4 C[S+](C)CC(=O)NCCO 527a_100000210304_200159257847 [0,2,0,0,0,0|1,0,1]=4 2689 B9R0.5 C#CCC(=O)C=COCC 1458a_100016266692_100000184674 [0,2,0,0,0,0|1,0,1]=4 2690 B9R0.5 C#CCC(=O)CCOCC 1458a_100000749530_100000184674 [0,2,0,0,0,0|1,0,1]=4 2691 B9R0.5 C#CCC(=O)CCOCC 1458a_100011220946_100011215890 [0,2,0,0,0,0|1,0,1]=4 2692 B9R0.5 C#CCC(=O)COCCC 1458a_100000745993_100000184674 [0,2,0,0,0,0|1,0,1]=4 2693 B9R0.5 C#CCC(=O)COCCO 1458a_100000708028_100000184674 [0,2,0,0,0,0|1,0,1]=4 2694 B9R0.5 C#CCCCC(=O)CCC 1458a_100000211992_100000731252 [0,2,0,0,0,0|2,0,0]=4 2695 B9R0.5 C#CCCCC(=O)CCC 1458a_100000690238_100000210303 [0,2,0,0,0,0|2,0,0]=4 2696 B9R0.5 C#CCCCC(=O)COC 1458a_100000210968_100000731252 [0,2,0,0,0,0|1,1,0]=4 2697 B9R0.5 C#CCCCC(=O)CSC 1458a_100000184570_100000731252 [0,2,0,0,0,0|1,0,0]=3 2698 B9R0.5 C#CCCCC(=O)NCC 11a_100015525214_100000690238 [0,2,0,0,0,0|2,0,0]=4 2699 B9R0.5 C#CCCCC(=O)NCC 240690a_100015525214_100000690238 [0,2,0,0,0,0|2,0,0]=4 2700 B9R0.5 C#CCCCC(=O)NCC 527a_100015525214_100000690238 [0,2,0,0,0,0|2,0,0]=4 2701 B9R0.5 C#CCCNC(=O)CCC 11a_100000755551_100000211992 [0,2,0,0,0,0|2,0,0]=4 2702 B9R0.5 C#CCCNC(=O)CCC 1626a_100000755551_100000211992 [0,2,0,0,0,0|2,0,0]=4 2703 B9R0.5 C#CCCNC(=O)CCC 240690a_100000755551_100000211992 [0,2,0,0,0,0|2,0,0]=4 2704 B9R0.5 C#CCCNC(=O)CCC 527a_100000755551_100000211992 [0,2,0,0,0,0|2,0,0]=4 2705 B9R0.5 C#CCCNC(=O)COC 11a_100000755551_100000210968 [0,2,0,0,0,0|1,1,0]=4 2706 B9R0.5 C#CCCNC(=O)COC 1626a_100000755551_100000210968 [0,2,0,0,0,0|1,1,0]=4 2707 B9R0.5 C#CCCNC(=O)COC 240690a_100000755551_100000210968 [0,2,0,0,0,0|1,1,0]=4 2708 B9R0.5 C#CCCNC(=O)COC 527a_100000755551_100000210968 [0,2,0,0,0,0|1,1,0]=4 2709 B9R0.5 C#CCCNC(=O)CSC 11a_100000755551_100000184570 [0,2,0,0,0,0|1,0,0]=3 2710 B9R0.5 C#CCCNC(=O)CSC 1626a_100000755551_100000184570 [0,2,0,0,0,0|1,0,0]=3 2711 B9R0.5 C#CCCNC(=O)CSC 240690a_100000755551_100000184570 [0,2,0,0,0,0|1,0,0]=3 2712 B9R0.5 C#CCCNC(=O)CSC 527a_100000755551_100000184570 [0,2,0,0,0,0|1,0,0]=3 2713 B9R0.5 C#CCNCC(=O)NCC 2230a_100016988866_100000038162 [0,2,0,0,0,0|2,0,0]=4 2714 B9R0.5 C#CCNCC(=O)NCC 34a_100000212058_100000183381 [0,2,0,0,0,0|2,0,0]=4 2715 B9R0.5 C#CCNCC(=O)OCC 34a_100000212058_100000188475 [0,2,0,0,0,0|1,0,0]=3 2716 B9R0.5 C#CCOCC(=O)CCC 1458a_100011251226_100000210303 [0,2,0,0,0,0|1,0,1]=4 2717 B9R0.5 C#CCOCC(=O)NCC 11a_100015525214_100011251226 [0,2,0,0,0,0|1,1,0]=4 2718 B9R0.5 C#CCOCC(=O)NCC 34a_100000210247_100000183381 [0,2,0,0,0,0|1,1,0]=4 2719 B9R0.5 C#CCOCC(=O)NCC 527a_100015525214_100011251226 [0,2,0,0,0,0|1,1,0]=4 2720 B9R0.5 C#CCOCC(=O)OCC 34a_100000210247_100000188475 [0,2,0,0,0,0|0,1,0]=3 2721 B9R0.5 C#CCSCC(=O)CCC 62a_100000038162_100000747444 [0,2,0,0,0,0|1,0,0]=3 2722 B9R0.5 C#CCSCC(=O)NCC 62a_100000038162_100000183381 [0,2,0,0,0,0|1,0,0]=3 2723 B9R0.5 C#CCSCC(=O)NCO 62a_100000038162_100000185155 [0,2,0,0,0,0|2,0,0]=4 2724 B9R0.5 C#CCSCC(=O)OC=C 62a_100000038162_100000036128 [0,2,0,0,0,0|0,0,2]=4 2725 B9R0.5 C#CCSCC(=O)OCC 62a_100000038162_100000188475 [0,2,0,0,0,0|0,0,0]=2 2726 B9R0.5 C=CCC(=O)C=COCC 1458a_100016266692_100000210623 [0,2,0,0,0,0|1,0,1]=4 2727 B9R0.5 C=CCC(=O)CCOCC 1458a_100000210193_100011215890 [0,2,0,0,0,0|1,0,1]=4 2728 B9R0.5 C=CCC(=O)CCOCC 1458a_100000749530_100000210623 [0,2,0,0,0,0|1,0,1]=4 2729 B9R0.5 C=CCC(=O)COCCC 1458a_100000745993_100000210623 [0,2,0,0,0,0|1,0,1]=4 2730 B9R0.5 C=CCC(=O)COCCO 1458a_100000708028_100000210623 [0,2,0,0,0,0|1,0,1]=4 2731 B9R0.5 C=CCCCC(=O)CCC 1458a_100000211992_100000757094 [0,2,0,0,0,0|2,0,0]=4 2732 B9R0.5 C=CCCCC(=O)CCC 1458a_100000766728_100000210303 [0,2,0,0,0,0|2,0,0]=4 2733 B9R0.5 C=CCCCC(=O)COC 1458a_100000210968_100000757094 [0,2,0,0,0,0|1,1,0]=4 2734 B9R0.5 C=CCCCC(=O)CSC 1458a_100000184570_100000757094 [0,2,0,0,0,0|1,0,0]=3 2735 B9R0.5 C=CCCCC(=O)NCC 11a_100015525214_100000766728 [0,2,0,0,0,0|2,0,0]=4 2736 B9R0.5 C=CCCCC(=O)NCC 240690a_100015525214_100000766728 [0,2,0,0,0,0|2,0,0]=4 2737 B9R0.5 C=CCCCC(=O)NCC 527a_100015525214_100000766728 [0,2,0,0,0,0|2,0,0]=4 2738 B9R0.5 C=CCCNC(=O)CCC 11a_100015191253_100000211992 [0,2,0,0,0,0|2,0,0]=4 2739 B9R0.5 C=CCCNC(=O)CCC 1626a_100015191253_100000211992 [0,2,0,0,0,0|2,0,0]=4 2740 B9R0.5 C=CCCNC(=O)CCC 240690a_100015191253_100000211992 [0,2,0,0,0,0|2,0,0]=4 2741 B9R0.5 C=CCCNC(=O)CCC 527a_100015191253_100000211992 [0,2,0,0,0,0|2,0,0]=4 2742 B9R0.5 C=CCCNC(=O)COC 11a_100015191253_100000210968 [0,2,0,0,0,0|1,1,0]=4 2743 B9R0.5 C=CCCNC(=O)COC 1626a_100015191253_100000210968 [0,2,0,0,0,0|1,1,0]=4 2744 B9R0.5 C=CCCNC(=O)COC 240690a_100015191253_100000210968 [0,2,0,0,0,0|1,1,0]=4 2745 B9R0.5 C=CCCNC(=O)COC 527a_100015191253_100000210968 [0,2,0,0,0,0|1,1,0]=4 2746 B9R0.5 C=CCCNC(=O)CSC 11a_100015191253_100000184570 [0,2,0,0,0,0|1,0,0]=3 2747 B9R0.5 C=CCCNC(=O)CSC 1626a_100015191253_100000184570 [0,2,0,0,0,0|1,0,0]=3 2748 B9R0.5 C=CCCNC(=O)CSC 240690a_100015191253_100000184570 [0,2,0,0,0,0|1,0,0]=3 2749 B9R0.5 C=CCCNC(=O)CSC 527a_100015191253_100000184570 [0,2,0,0,0,0|1,0,0]=3 2750 B9R0.5 C=CCNCC(=O)CCC 2230a_100020586998_100000747444 [0,2,0,0,0,0|2,0,0]=4 2751 B9R0.5 C=CCNCC(=O)NCC 2230a_100016988866_100000210623 [0,2,0,0,0,0|2,0,0]=4 2752 B9R0.5 C=CCNCC(=O)NCC 2230a_100020586998_100000183381 [0,2,0,0,0,0|2,0,0]=4 2753 B9R0.5 C=CCNCC(=O)OCC 2230a_100020586998_100000188475 [0,2,0,0,0,0|1,0,0]=3 2754 B9R0.5 C=CCNNC(=O)CSC 22a_100020588587_100000184570 [0,2,0,0,0,0|1,0,1]=4 2755 B9R0.5 C=CCOCC(=O)NCC 34a_200000210373_100000183381 [0,2,0,0,0,0|1,1,0]=4 2756 B9R0.5 C=CCOCC(=O)OCC 34a_200000210373_100000188475 [0,2,0,0,0,0|0,1,0]=3 2757 B9R0.5 C=CCSCC(=O)CCC 1458a_100000230395_100000210303 [0,2,0,0,0,0|1,0,0]=3 2758 B9R0.5 C=CCSCC(=O)CCC 62a_100000210623_100000747444 [0,2,0,0,0,0|1,0,0]=3 2759 B9R0.5 C=CCSCC(=O)CCC 62a_100000747444_100000210623 [0,2,0,0,0,0|1,0,0]=3 2760 B9R0.5 C=CCSCC(=O)CCF 1458a_100000230395_100011217306 [0,2,0,0,0,0|2,0,0]=4 2761 B9R0.5 C=CCSCC(=O)CCO 1458a_100000230395_100000211926 [0,2,0,0,0,0|2,0,0]=4 2762 B9R0.5 C=CCSCC(=O)NCC 11a_100015525214_100000230395 [0,2,0,0,0,0|1,0,0]=3 2763 B9R0.5 C=CCSCC(=O)NCC 240690a_100015525214_100000230395 [0,2,0,0,0,0|1,0,0]=3 2764 B9R0.5 C=CCSCC(=O)NCC 527a_100015525214_100000230395 [0,2,0,0,0,0|1,0,0]=3 2765 B9R0.5 C=CCSCC(=O)NCC 62a_100000183381_100000210623 [0,2,0,0,0,0|1,0,0]=3 2766 B9R0.5 C=CCSCC(=O)NCC 62a_100000210623_100000183381 [0,2,0,0,0,0|1,0,0]=3 2767 B9R0.5 C=CCSCC(=O)NCO 62a_100000185155_100000210623 [0,2,0,0,0,0|2,0,0]=4 2768 B9R0.5 C=CCSCC(=O)NCO 62a_100000210623_100000185155 [0,2,0,0,0,0|2,0,0]=4 2769 B9R0.5 C=CCSCC(=O)NNC 22a_100016993582_100000230395 [0,2,0,0,0,0|2,0,0]=4 2770 B9R0.5 C=CCSCC(=O)OC=C 62a_100000036128_100000210623 [0,2,0,0,0,0|0,0,2]=4 2771 B9R0.5 C=CCSCC(=O)OC=C 62a_100000210623_100000036128 [0,2,0,0,0,0|0,0,2]=4 2772 B9R0.5 C=CCSCC(=O)OCC 62a_100000188475_100000210623 [0,2,0,0,0,0|0,0,0]=2 2773 B9R0.5 C=CCSCC(=O)OCC 62a_100000210623_100000188475 [0,2,0,0,0,0|0,0,0]=2 2774 B9R0.5 C=COC(=O)CSCC#N 62a_100000036128_100011215382 [0,2,0,0,0,0|0,0,2]=4 2775 B9R0.5 C=COC(=O)CSCC#N 62a_100011215382_100000036128 [0,2,0,0,0,0|0,0,2]=4 2776 B9R0.5 C=COC(=O)CSCC=O 62a_100000036128_200015260668 [0,2,0,0,0,0|0,0,2]=4 2777 B9R0.5 C=COC(=O)CSCC=O 62a_200015260668_100000036128 [0,2,0,0,0,0|0,0,2]=4 2778 B9R0.5 C=COC(=O)CSCCC 62a_100000036128_100000210303 [0,2,0,0,0,0|0,0,2]=4 2779 B9R0.5 C=COC(=O)CSCCC 62a_100000210303_100000036128 [0,2,0,0,0,0|0,0,2]=4 2780 B9R0.5 C=COC(=O)CSCCF 62a_100000036128_100011217306 [0,2,0,0,0,0|0,0,2]=4 2781 B9R0.5 C=COC(=O)CSCCF 62a_100011217306_100000036128 [0,2,0,0,0,0|0,0,2]=4 2782 B9R0.5 C=COC(=O)CSCCO 62a_100000036128_100000211926 [0,2,0,0,0,0|0,0,2]=4 2783 B9R0.5 C=COC(=O)CSCCO 62a_100000211926_100000036128 [0,2,0,0,0,0|0,0,2]=4 2784 B9R0.5 C=COC(=O)CSCOC 62a_100000036128_100000766300 [0,2,0,0,0,0|0,0,2]=4 2785 B9R0.5 C=COC(=O)CSCOC 62a_100000766300_100000036128 [0,2,0,0,0,0|0,0,2]=4 2786 B9R0.5 C=COC(=O)CSCSC 62a_100000036128_100011218213 [0,2,0,0,0,0|0,0,2]=4 2787 B9R0.5 C=COC(=O)CSCSC 62a_100011218213_100000036128 [0,2,0,0,0,0|0,0,2]=4 2788 B9R0.5 C=COCCC(=O)CSC 1458a_100000184570_100000039644 [0,2,0,0,0,0|0,0,2]=4 2789 B9R0.5 CC#CC(=O)CCOCC 1458a_100000763181_100011215890 [0,2,0,0,0,0|1,0,1]=4 2790 B9R0.5 CC#CC(=O)CCSCC 1458a_100000763181_100000757381 [0,2,0,0,0,0|1,0,1]=4 2791 B9R0.5 CC#CCNC(=O)CCC 11a_100000685387_100000211992 [0,2,0,0,0,0|2,0,0]=4 2792 B9R0.5 CC#CCNC(=O)CCC 1626a_100000685387_100000211992 [0,2,0,0,0,0|2,0,0]=4 2793 B9R0.5 CC#CCNC(=O)CCC 527a_100000685387_100000211992 [0,2,0,0,0,0|2,0,0]=4 2794 B9R0.5 CC#CCNC(=O)COC 11a_100000685387_100000210968 [0,2,0,0,0,0|1,1,0]=4 2795 B9R0.5 CC#CCNC(=O)COC 1626a_100000685387_100000210968 [0,2,0,0,0,0|1,1,0]=4 2796 B9R0.5 CC#CCNC(=O)COC 527a_100000685387_100000210968 [0,2,0,0,0,0|1,1,0]=4 2797 B9R0.5 CC#CCNC(=O)CSC 11a_100000685387_100000184570 [0,2,0,0,0,0|1,0,0]=3 2798 B9R0.5 CC#CCNC(=O)CSC 1626a_100000685387_100000184570 [0,2,0,0,0,0|1,0,0]=3 2799 B9R0.5 CC#CCNC(=O)CSC 527a_100000685387_100000184570 [0,2,0,0,0,0|1,0,0]=3 2800 B9R0.5 CC#CCNC(=O)NCC 2708a_100015525214_100000685387 [0,2,0,0,0,0|2,0,0]=4 2801 B9R0.5 CC#CCNC(=O)NCC 273464a_100000685387_100015525214 [0,2,0,0,0,0|2,0,0]=4 2802 B9R0.5 CC#CCNC(=O)NCC 273464a_100015525214_100000685387 [0,2,0,0,0,0|2,0,0]=4 2803 B9R0.5 CC#CCNC(=O)NCC 512a_100000685387_100015525214 [0,2,0,0,0,0|2,0,0]=4 2804 B9R0.5 CC#CCNC(=O)NCC 512a_100015525214_100000685387 [0,2,0,0,0,0|2,0,0]=4 2805 B9R0.5 CC/C=C/CC(=O)CCC 1458a_100016274230_100000210303 [0,2,0,0,0,0|2,0,0]=4 2806 B9R0.5 CC/C=C/CC(=O)NCC 11a_100015525214_100016274230 [0,2,0,0,0,0|2,0,0]=4 2807 B9R0.5 CC/C=C/CC(=O)NCC 240690a_100015525214_100016274230 [0,2,0,0,0,0|2,0,0]=4 2808 B9R0.5 CC/C=C/CC(=O)NCC 527a_100015525214_100016274230 [0,2,0,0,0,0|2,0,0]=4 2809 B9R0.5 CC/C=C\CC(=O)CCC 1458a_100000211992_100103147603 [0,2,0,0,0,0|2,0,0]=4 2810 B9R0.5 CC/C=C\CC(=O)COC 1458a_100000210968_100103147603 [0,2,0,0,0,0|1,1,0]=4 2811 B9R0.5 CC/C=C\CC(=O)CSC 1458a_100000184570_100103147603 [0,2,0,0,0,0|1,0,0]=3 2812 B9R0.5 CC=CC(=O)CCOCC 1458a_100000210699_100011215890 [0,2,0,0,0,0|1,0,1]=4 2813 B9R0.5 CC=CC(=O)CCSCC 1458a_100000210699_100000757381 [0,2,0,0,0,0|1,0,1]=4 2814 B9R0.5 CC=CC(=O)NCCSC 11a_100020590264_100000210699 [0,2,0,0,0,0|1,0,1]=4 2815 B9R0.5 CC=CC(=O)NCCSC 1626a_100020590264_100000210699 [0,2,0,0,0,0|1,0,1]=4 2816 B9R0.5 CC=CC(=O)NCCSC 240690a_100020590264_100000210699 [0,2,0,0,0,0|1,0,1]=4 2817 B9R0.5 CCC#CCC(=O)CCC 1458a_100000211992_100009813939 [0,2,0,0,0,0|2,0,0]=4 2818 B9R0.5 CCC#CCC(=O)COC 1458a_100000210968_100009813939 [0,2,0,0,0,0|1,1,0]=4 2819 B9R0.5 CCC#CCC(=O)CSC 1458a_100000184570_100009813939 [0,2,0,0,0,0|1,0,0]=3 2820 B9R0.5 CCC=NNC(=O)CCC 4a_100000189770_100000210100 [0,2,0,0,0,0|2,0,0]=4 2821 B9R0.5 CCC=NNC(=O)COC 4a_100000216845_100000210100 [0,2,0,0,0,0|1,1,0]=4 2822 B9R0.5 CCCC#CC(=O)CCC 1458a_200011218047_100000210303 [0,2,0,0,0,0|2,0,0]=4 2823 B9R0.5 CCCC#CC(=O)NCC 240690a_100015525214_200011218047 [0,2,0,0,0,0|2,0,0]=4 2824 B9R0.5 CCCC(=O)C=CCOC 1458a_100016285016_100000210303 [0,2,0,0,0,0|1,1,0]=4 2825 B9R0.5 CCCC(=O)C=COCC 1458a_100016266692_100000210303 [0,2,0,0,0,0|1,0,0]=3 2826 B9R0.5 CCCC(=O)CC#CCO 1458a_100000211992_200000047223 [0,2,0,0,0,0|2,0,0]=4 2827 B9R0.5 CCCC(=O)CCCC#N 1458a_100000075515_100000210303 [0,2,0,0,0,0|2,0,0]=4 2828 B9R0.5 CCCC(=O)CCCC#N 1458a_100000211992_100000211468 [0,2,0,0,0,0|2,0,0]=4 2829 B9R0.5 CCCC(=O)CCCCF 1458a_100000211992_100000729493 [0,2,0,0,0,0|2,0,0]=4 2830 B9R0.5 CCCC(=O)CCCCO 1458a_100000211992_100000210776 [0,2,0,0,0,0|2,0,0]=4 2831 B9R0.5 CCCC(=O)CCCCO 1458a_100000695505_100000210303 [0,2,0,0,0,0|2,0,0]=4 2832 B9R0.5 CCCC(=O)CCCOC 1458a_100000211992_100000740836 [0,2,0,0,0,0|1,1,0]=4 2833 B9R0.5 CCCC(=O)CCCOC 1458a_100000741012_100000210303 [0,2,0,0,0,0|1,1,0]=4 2834 B9R0.5 CCCC(=O)CCCSC 1458a_100000173376_100000210303 [0,2,0,0,0,0|1,0,0]=3 2835 B9R0.5 CCCC(=O)CCOCC 1458a_100000211992_100011215890 [0,2,0,0,0,0|1,0,0]=3 2836 B9R0.5 CCCC(=O)CCOCC 1458a_100000749530_100000210303 [0,2,0,0,0,0|1,0,0]=3 2837 B9R0.5 CCCC(=O)CCSCC 1458a_100000211992_100000757381 [0,2,0,0,0,0|1,0,0]=3 2838 B9R0.5 CCCC(=O)CCSCC 1458a_100000230768_100000210303 [0,2,0,0,0,0|1,0,0]=3 2839 B9R0.5 CCCC(=O)CNCCO 2230a_100016997473_100000747444 [0,2,0,0,0,0|2,0,0]=4 2840 B9R0.5 CCCC(=O)COCCO 1458a_100000708028_100000210303 [0,2,0,0,0,0|1,0,0]=3 2841 B9R0.5 CCCC(=O)CSCC#N 1458a_100000150266_100000210303 [0,2,0,0,0,0|1,0,0]=3 2842 B9R0.5 CCCC(=O)CSCC#N 62a_100000747444_100011215382 [0,2,0,0,0,0|1,0,0]=3 2843 B9R0.5 CCCC(=O)CSCC#N 62a_100011215382_100000747444 [0,2,0,0,0,0|1,0,0]=3 2844 B9R0.5 CCCC(=O)CSCC=O 62a_100000747444_200015260668 [0,2,0,0,0,0|1,0,0]=3 2845 B9R0.5 CCCC(=O)CSCC=O 62a_200015260668_100000747444 [0,2,0,0,0,0|1,0,0]=3 2846 B9R0.5 CCCC(=O)CSCCF 62a_100000747444_100011217306 [0,2,0,0,0,0|1,0,0]=3 2847 B9R0.5 CCCC(=O)CSCCF 62a_100011217306_100000747444 [0,2,0,0,0,0|1,0,0]=3 2848 B9R0.5 CCCC(=O)CSCCO 62a_100000211926_100000747444 [0,2,0,0,0,0|1,0,0]=3 2849 B9R0.5 CCCC(=O)CSCCO 62a_100000747444_100000211926 [0,2,0,0,0,0|1,0,0]=3 2850 B9R0.5 CCCC(=O)CSCOC 62a_100000747444_100000766300 [0,2,0,0,0,0|1,0,0]=3 2851 B9R0.5 CCCC(=O)CSCOC 62a_100000766300_100000747444 [0,2,0,0,0,0|1,0,0]=3 2852 B9R0.5 CCCC(=O)CSCSC 62a_100000747444_100011218213 [0,2,0,0,0,0|1,0,0]=3 2853 B9R0.5 CCCC(=O)CSCSC 62a_100011218213_100000747444 [0,2,0,0,0,0|1,0,0]=3 2854 B9R0.5 CCCC(=O)NCCC#N 11a_100000720768_100000211992 [0,2,0,0,0,0|2,0,0]=4 2855 B9R0.5 CCCC(=O)NCCC#N 1626a_100000720768_100000211992 [0,2,0,0,0,0|2,0,0]=4 2856 B9R0.5 CCCC(=O)NCCC#N 240690a_100000720768_100000211992 [0,2,0,0,0,0|2,0,0]=4 2857 B9R0.5 CCCC(=O)NCCC#N 527a_100000720768_100000211992 [0,2,0,0,0,0|2,0,0]=4 2858 B9R0.5 CCCC(=O)NCCCF 11a_100015189416_100000211992 [0,2,0,0,0,0|2,0,0]=4 2859 B9R0.5 CCCC(=O)NCCCF 1626a_100015189416_100000211992 [0,2,0,0,0,0|2,0,0]=4 2860 B9R0.5 CCCC(=O)NCCCF 240690a_100015189416_100000211992 [0,2,0,0,0,0|2,0,0]=4 2861 B9R0.5 CCCC(=O)NCCCF 527a_100015189416_100000211992 [0,2,0,0,0,0|2,0,0]=4 2862 B9R0.5 CCCC(=O)NCCCO 240690a_100000182051_100000211992 [0,2,0,0,0,0|2,0,0]=4 2863 B9R0.5 CCCC(=O)NCCCO 527a_100000182051_100000211992 [0,2,0,0,0,0|2,0,0]=4 2864 B9R0.5 CCCC(=O)NCCOC 1626a_100000209980_100000211992 [0,2,0,0,0,0|1,1,0]=4 2865 B9R0.5 CCCC(=O)NCCOC 240690a_100000209980_100000211992 [0,2,0,0,0,0|1,1,0]=4 2866 B9R0.5 CCCC(=O)NCCOC 527a_100000209980_100000211992 [0,2,0,0,0,0|1,1,0]=4 2867 B9R0.5 CCCC(=O)NCCSC 11a_100020590264_100000211992 [0,2,0,0,0,0|1,0,0]=3 2868 B9R0.5 CCCC(=O)NCCSC 1626a_100020590264_100000211992 [0,2,0,0,0,0|1,0,0]=3 2869 B9R0.5 CCCC(=O)NCCSC 240690a_100020590264_100000211992 [0,2,0,0,0,0|1,0,0]=3 2870 B9R0.5 CCCC(=O)NCCSC 527a_100020590264_100000211992 [0,2,0,0,0,0|1,0,0]=3 2871 B9R0.5 CCCC(=O)NNCCO 22a_100000210001_100000211992 [0,2,0,0,0,0|2,0,0]=4 2872 B9R0.5 CCCC(=O)OCNCC 2230a_100015525214_100000034017 [0,2,0,0,0,0|1,0,0]=3 2873 B9R0.5 CCCC(=O)OCOCC 34a_100121572206_100000034017 [0,2,0,0,0,0|1,0,0]=3 2874 B9R0.5 CCCC(=O)OCSCC 62a_100000210202_100000034017 [0,2,0,0,0,0|1,0,0]=3 2875 B9R0.5 CCCC(=O)OCSCF 62a_100015361967_100000034017 [0,2,0,0,0,0|1,0,0]=3 2876 B9R0.5 CCCC=CC(=O)CCC 1458a_100000212230_100000210303 [0,2,0,0,0,0|2,0,0]=4 2877 B9R0.5 CCCC=CC(=O)NCC 11a_100015525214_100000212230 [0,2,0,0,0,0|2,0,0]=4 2878 B9R0.5 CCCC=CC(=O)NCC 240690a_100015525214_100000212230 [0,2,0,0,0,0|2,0,0]=4 2879 B9R0.5 CCCCCC(=O)CCC 1458a_100000211992_100000210326 [0,2,0,0,0,0|2,0,0]=4 2880 B9R0.5 CCCCCC(=O)CCC 1458a_100000212188_100000210303 [0,2,0,0,0,0|2,0,0]=4 2881 B9R0.5 CCCCCC(=O)CNC 2230a_106832991635_200012276598 [0,2,0,0,0,0|2,0,0]=4 2882 B9R0.5 CCCCCC(=O)CNC 34a_100102657272_200012276598 [0,2,0,0,0,0|2,0,0]=4 2883 B9R0.5 CCCCCC(=O)CNC 7a_106832991635_200012276598 [0,2,0,0,0,0|2,0,0]=4 2884 B9R0.5 CCCCCC(=O)COC 1458a_100000210968_100000210326 [0,2,0,0,0,0|1,1,0]=4 2885 B9R0.5 CCCCCC(=O)COC 34a_100138415774_200012276598 [0,2,0,0,0,0|1,1,0]=4 2886 B9R0.5 CCCCCC(=O)CSC 1458a_100000184570_100000210326 [0,2,0,0,0,0|1,0,0]=3 2887 B9R0.5 CCCCCC(=O)CSC 62a_200000210301_200012276598 [0,2,0,0,0,0|1,0,0]=3 2888 B9R0.5 CCCCCC(=O)CSC 62a_200012276598_200000210301 [0,2,0,0,0,0|1,0,0]=3 2889 B9R0.5 CCCCCC(=O)CS[13CH3] 62a_200012276598_200025704644 [0,2,0,0,0,0|1,0,0]=3 2890 B9R0.5 CCCCCC(=O)CS[13CH3] 62a_200025704644_200012276598 [0,2,0,0,0,0|1,0,0]=3 2891 B9R0.5 CCCCCC(=O)NCC 11a_100015525214_100000212188 [0,2,0,0,0,0|2,0,0]=4 2892 B9R0.5 CCCCCC(=O)NCC 240690a_100015525214_100000212188 [0,2,0,0,0,0|2,0,0]=4 2893 B9R0.5 CCCCCC(=O)NCC 527a_100015525214_100000212188 [0,2,0,0,0,0|2,0,0]=4 2894 B9R0.5 CCCCNC(=O)CCC 11a_100000102301_100000211992 [0,2,0,0,0,0|2,0,0]=4 2895 B9R0.5 CCCCNC(=O)CCC 1626a_100000102301_100000211992 [0,2,0,0,0,0|2,0,0]=4 2896 B9R0.5 CCCCNC(=O)CCC 240690a_100000102301_100000211992 [0,2,0,0,0,0|2,0,0]=4 2897 B9R0.5 CCCCNC(=O)CCC 527a_100000102301_100000211992 [0,2,0,0,0,0|2,0,0]=4 2898 B9R0.5 CCCCNC(=O)CNC 2230a_106832991635_100000182744 [0,2,0,0,0,0|2,0,0]=4 2899 B9R0.5 CCCCNC(=O)CNC 34a_100102657272_100000182744 [0,2,0,0,0,0|2,0,0]=4 2900 B9R0.5 CCCCNC(=O)CNC 7a_106832991635_100000182744 [0,2,0,0,0,0|2,0,0]=4 2901 B9R0.5 CCCCNC(=O)COC 11a_100000102301_100000210968 [0,2,0,0,0,0|1,1,0]=4 2902 B9R0.5 CCCCNC(=O)COC 1626a_100000102301_100000210968 [0,2,0,0,0,0|1,1,0]=4 2903 B9R0.5 CCCCNC(=O)COC 240690a_100000102301_100000210968 [0,2,0,0,0,0|1,1,0]=4 2904 B9R0.5 CCCCNC(=O)COC 34a_100138415774_100000182744 [0,2,0,0,0,0|1,1,0]=4 2905 B9R0.5 CCCCNC(=O)COC 527a_100000102301_100000210968 [0,2,0,0,0,0|1,1,0]=4 2906 B9R0.5 CCCCNC(=O)CSC 11a_100000102301_100000184570 [0,2,0,0,0,0|1,0,0]=3 2907 B9R0.5 CCCCNC(=O)CSC 1626a_100000102301_100000184570 [0,2,0,0,0,0|1,0,0]=3 2908 B9R0.5 CCCCNC(=O)CSC 240690a_100000102301_100000184570 [0,2,0,0,0,0|1,0,0]=3 2909 B9R0.5 CCCCNC(=O)CSC 527a_100000102301_100000184570 [0,2,0,0,0,0|1,0,0]=3 2910 B9R0.5 CCCCNC(=O)CSC 62a_100000182744_200000210301 [0,2,0,0,0,0|1,0,0]=3 2911 B9R0.5 CCCCNC(=O)CSC 62a_200000210301_100000182744 [0,2,0,0,0,0|1,0,0]=3 2912 B9R0.5 CCCCNC(=O)CS[13CH3] 62a_100000182744_200025704644 [0,2,0,0,0,0|1,0,0]=3 2913 B9R0.5 CCCCNC(=O)CS[13CH3] 62a_200025704644_100000182744 [0,2,0,0,0,0|1,0,0]=3 2914 B9R0.5 CCCCNC(=O)NCC 2708a_100000102301_100015525214 [0,2,0,0,0,0|2,0,0]=4 2915 B9R0.5 CCCCNC(=O)NCC 2708a_100015525214_100000102301 [0,2,0,0,0,0|2,0,0]=4 2916 B9R0.5 CCCCNC(=O)NCC 273464a_100000102301_100015525214 [0,2,0,0,0,0|2,0,0]=4 2917 B9R0.5 CCCCNC(=O)NCC 273464a_100015525214_100000102301 [0,2,0,0,0,0|2,0,0]=4 2918 B9R0.5 CCCCNC(=O)NCC 512a_100000102301_100015525214 [0,2,0,0,0,0|2,0,0]=4 2919 B9R0.5 CCCCNC(=O)NCC 512a_100015525214_100000102301 [0,2,0,0,0,0|2,0,0]=4 2920 B9R0.5 CCCCOC(=O)CNC 2230a_106832991635_100000211628 [0,2,0,0,0,0|1,0,0]=3 2921 B9R0.5 CCCCOC(=O)CNC 34a_100102657272_100000211628 [0,2,0,0,0,0|1,0,0]=3 2922 B9R0.5 CCCCOC(=O)CNC 7a_106832991635_100000211628 [0,2,0,0,0,0|1,0,0]=3 2923 B9R0.5 CCCCOC(=O)COC 34a_100138415774_100000211628 [0,2,0,0,0,0|0,1,0]=3 2924 B9R0.5 CCCCOC(=O)CSC 62a_100000211628_200000210301 [0,2,0,0,0,0|0,0,0]=2 2925 B9R0.5 CCCCOC(=O)CSC 62a_200000210301_100000211628 [0,2,0,0,0,0|0,0,0]=2 2926 B9R0.5 CCCCOC(=O)CS[13CH3] 62a_100000211628_200025704644 [0,2,0,0,0,0|0,0,0]=2 2927 B9R0.5 CCCCOC(=O)CS[13CH3] 62a_200025704644_100000211628 [0,2,0,0,0,0|0,0,0]=2 2928 B9R0.5 CCCNCC(=O)NCC 2230a_100016988866_100000210303 [0,2,0,0,0,0|2,0,0]=4 2929 B9R0.5 CCCNN=C(C)CSC 4a_100000740057_100011216314 [0,2,0,0,0,0|2,0,0]=4 2930 B9R0.5 CCCNNC(=O)CCC 22a_100000740057_100000211992 [0,2,0,0,0,0|2,0,0]=4 2931 B9R0.5 CCCNNC(=O)COC 22a_100000740057_100000210968 [0,2,0,0,0,0|1,1,0]=4 2932 B9R0.5 CCCNNC(=O)CSC 22a_100000740057_100000184570 [0,2,0,0,0,0|1,0,0]=3 2933 B9R0.5 CCCNNC(=O)NCC 273464a_100015525214_100000740057 [0,2,0,0,0,0|2,0,0]=4 2934 B9R0.5 CCCNNC(=O)NCC 512a_100000740057_100015525214 [0,2,0,0,0,0|2,0,0]=4 2935 B9R0.5 CCCNNC(=O)NCC 512a_100015525214_100000740057 [0,2,0,0,0,0|2,0,0]=4 2936 B9R0.5 CCCOCC(=O)CC#N 1458a_100000745993_100011214920 [0,2,0,0,0,0|2,0,0]=4 2937 B9R0.5 CCCOCC(=O)CCC 1458a_100000745993_100000210303 [0,2,0,0,0,0|1,0,0]=3 2938 B9R0.5 CCCOCC(=O)CCF 1458a_100000745993_100011217306 [0,2,0,0,0,0|2,0,0]=4 2939 B9R0.5 CCCOCC(=O)CCO 1458a_100000745993_100000211926 [0,2,0,0,0,0|2,0,0]=4 2940 B9R0.5 CCCOCC(=O)NCC 11a_100015525214_100000745993 [0,2,0,0,0,0|1,1,0]=4 2941 B9R0.5 CCCOCC(=O)NCC 240690a_100015525214_100000745993 [0,2,0,0,0,0|1,1,0]=4 2942 B9R0.5 CCCOCC(=O)NCC 34a_100000210258_100000183381 [0,2,0,0,0,0|1,1,0]=4 2943 B9R0.5 CCCOCC(=O)NCC 527a_100015525214_100000745993 [0,2,0,0,0,0|1,1,0]=4 2944 B9R0.5 CCCOCC(=O)NNC 22a_100016993582_100000745993 [0,2,0,0,0,0|2,0,0]=4 2945 B9R0.5 CCCOCC(=O)OCC 34a_100000210258_100000188475 [0,2,0,0,0,0|0,1,0]=3 2946 B9R0.5 CCCSCC(=O)CCC 1458a_100000217233_100000210303 [0,2,0,0,0,0|1,0,0]=3 2947 B9R0.5 CCCSCC(=O)CCC 62a_100000210303_100000747444 [0,2,0,0,0,0|1,0,0]=3 2948 B9R0.5 CCCSCC(=O)CCC 62a_100000747444_100000210303 [0,2,0,0,0,0|1,0,0]=3 2949 B9R0.5 CCCSCC(=O)CCF 1458a_100000217233_100011217306 [0,2,0,0,0,0|2,0,0]=4 2950 B9R0.5 CCCSCC(=O)CCO 1458a_100000217233_100000211926 [0,2,0,0,0,0|2,0,0]=4 2951 B9R0.5 CCCSCC(=O)NCC 11a_100015525214_100000217233 [0,2,0,0,0,0|1,0,0]=3 2952 B9R0.5 CCCSCC(=O)NCC 240690a_100015525214_100000217233 [0,2,0,0,0,0|1,0,0]=3 2953 B9R0.5 CCCSCC(=O)NCC 527a_100015525214_100000217233 [0,2,0,0,0,0|1,0,0]=3 2954 B9R0.5 CCCSCC(=O)NCC 62a_100000183381_100000210303 [0,2,0,0,0,0|1,0,0]=3 2955 B9R0.5 CCCSCC(=O)NCC 62a_100000210303_100000183381 [0,2,0,0,0,0|1,0,0]=3 2956 B9R0.5 CCCSCC(=O)NCO 62a_100000185155_100000210303 [0,2,0,0,0,0|2,0,0]=4 2957 B9R0.5 CCCSCC(=O)NCO 62a_100000210303_100000185155 [0,2,0,0,0,0|2,0,0]=4 2958 B9R0.5 CCCSCC(=O)NNC 22a_100016993582_100000217233 [0,2,0,0,0,0|2,0,0]=4 2959 B9R0.5 CCCSCC(=O)OCC 62a_100000188475_100000210303 [0,2,0,0,0,0|0,0,0]=2 2960 B9R0.5 CCCSCC(=O)OCC 62a_100000210303_100000188475 [0,2,0,0,0,0|0,0,0]=2 2961 B9R0.5 CCNC(=O)C=CCOC 11a_100015525214_100016285016 [0,2,0,0,0,0|1,1,0]=4 2962 B9R0.5 CCNC(=O)C=CCOC 240690a_100015525214_100016285016 [0,2,0,0,0,0|1,1,0]=4 2963 B9R0.5 CCNC(=O)C=COCC 11a_100015525214_100016266692 [0,2,0,0,0,0|2,0,0]=4 2964 B9R0.5 CCNC(=O)C=COCC 240690a_100015525214_100016266692 [0,2,0,0,0,0|2,0,0]=4 2965 B9R0.5 CCNC(=O)CCCC#N 11a_100015525214_100000075515 [0,2,0,0,0,0|2,0,0]=4 2966 B9R0.5 CCNC(=O)CCCC#N 240690a_100015525214_100000075515 [0,2,0,0,0,0|2,0,0]=4 2967 B9R0.5 CCNC(=O)CCCC#N 527a_100015525214_100000075515 [0,2,0,0,0,0|2,0,0]=4 2968 B9R0.5 CCNC(=O)CCCOC 11a_100015525214_100000741012 [0,2,0,0,0,0|1,1,0]=4 2969 B9R0.5 CCNC(=O)CCCOC 240690a_100015525214_100000741012 [0,2,0,0,0,0|1,1,0]=4 2970 B9R0.5 CCNC(=O)CCCOC 527a_100015525214_100000741012 [0,2,0,0,0,0|1,1,0]=4 2971 B9R0.5 CCNC(=O)CCCSC 11a_100015525214_100000173376 [0,2,0,0,0,0|1,0,0]=3 2972 B9R0.5 CCNC(=O)CCCSC 240690a_100015525214_100000173376 [0,2,0,0,0,0|1,0,0]=3 2973 B9R0.5 CCNC(=O)CCCSC 527a_100015525214_100000173376 [0,2,0,0,0,0|1,0,0]=3 2974 B9R0.5 CCNC(=O)CCNCF 34a_100025743525_100015361967 [0,2,0,0,0,0|2,0,0]=4 2975 B9R0.5 CCNC(=O)CCOCC 11a_100015525214_100000749530 [0,2,0,0,0,0|1,1,0]=4 2976 B9R0.5 CCNC(=O)CCOCC 240690a_100015525214_100000749530 [0,2,0,0,0,0|1,1,0]=4 2977 B9R0.5 CCNC(=O)CCOCC 527a_100015525214_100000749530 [0,2,0,0,0,0|1,1,0]=4 2978 B9R0.5 CCNC(=O)CCSCC 11a_100015525214_100000230768 [0,2,0,0,0,0|1,0,0]=3 2979 B9R0.5 CCNC(=O)CCSCC 240690a_100015525214_100000230768 [0,2,0,0,0,0|1,0,0]=3 2980 B9R0.5 CCNC(=O)CCSCC 527a_100015525214_100000230768 [0,2,0,0,0,0|1,0,0]=3 2981 B9R0.5 CCNC(=O)CCSCC 62a_100000210202_100000737597 [0,2,0,0,0,0|1,0,0]=3 2982 B9R0.5 CCNC(=O)CCSCC 62a_100000737597_100000210202 [0,2,0,0,0,0|1,0,0]=3 2983 B9R0.5 CCNC(=O)CCSCF 62a_100000737597_100015361967 [0,2,0,0,0,0|1,0,0]=3 2984 B9R0.5 CCNC(=O)CCSCF 62a_100015361967_100000737597 [0,2,0,0,0,0|1,0,0]=3 2985 B9R0.5 CCNC(=O)CNCC#N 2230a_100016988866_100011215382 [0,2,0,0,0,0|2,0,0]=4 2986 B9R0.5 CCNC(=O)CNCC=O 2230a_100016988866_200015260668 [0,2,0,0,0,0|2,0,0]=4 2987 B9R0.5 CCNC(=O)CNCCF 2230a_100016988866_100011217306 [0,2,0,0,0,0|2,0,0]=4 2988 B9R0.5 CCNC(=O)CNCCF 34a_100000724931_100000183381 [0,2,0,0,0,0|2,0,0]=4 2989 B9R0.5 CCNC(=O)CNCCO 2230a_100016988866_100000211926 [0,2,0,0,0,0|2,0,0]=4 2990 B9R0.5 CCNC(=O)CNCCO 2230a_100016997473_100000183381 [0,2,0,0,0,0|2,0,0]=4 2991 B9R0.5 CCNC(=O)CNCCO 34a_100016990907_100000183381 [0,2,0,0,0,0|2,0,0]=4 2992 B9R0.5 CCNC(=O)CNCOC 2230a_100016988866_100000766300 [0,2,0,0,0,0|1,1,0]=4 2993 B9R0.5 CCNC(=O)CNCSC 2230a_100016988866_100011218213 [0,2,0,0,0,0|1,0,0]=3 2994 B9R0.5 CCNC(=O)COCCBr 34a_100000211926_100000183381 [0,2,0,0,0,0|1,1,0]=4 2995 B9R0.5 CCNC(=O)COCCN 34a_100000210304_100000183381 [0,2,0,0,0,0|1,1,0]=4 2996 B9R0.5 CCNC(=O)COCCO 240690a_100015525214_100000708028 [0,2,0,0,0,0|1,1,0]=4 2997 B9R0.5 CCNC(=O)CSCC#N 11a_100015525214_100000150266 [0,2,0,0,0,0|1,0,0]=3 2998 B9R0.5 CCNC(=O)CSCC#N 240690a_100015525214_100000150266 [0,2,0,0,0,0|1,0,0]=3 2999 B9R0.5 CCNC(=O)CSCC#N 62a_100000183381_100011215382 [0,2,0,0,0,0|1,0,0]=3 3000 B9R0.5 CCNC(=O)CSCC#N 62a_100011215382_100000183381 [0,2,0,0,0,0|1,0,0]=3 3001 B9R0.5 CCNC(=O)CSCC=O 62a_100000183381_200015260668 [0,2,0,0,0,0|1,0,0]=3 3002 B9R0.5 CCNC(=O)CSCC=O 62a_200015260668_100000183381 [0,2,0,0,0,0|1,0,0]=3 3003 B9R0.5 CCNC(=O)CSCCF 62a_100000183381_100011217306 [0,2,0,0,0,0|1,0,0]=3 3004 B9R0.5 CCNC(=O)CSCCF 62a_100011217306_100000183381 [0,2,0,0,0,0|1,0,0]=3 3005 B9R0.5 CCNC(=O)CSCCO 62a_100000183381_100000211926 [0,2,0,0,0,0|1,0,0]=3 3006 B9R0.5 CCNC(=O)CSCCO 62a_100000211926_100000183381 [0,2,0,0,0,0|1,0,0]=3 3007 B9R0.5 CCNC(=O)CSCOC 62a_100000183381_100000766300 [0,2,0,0,0,0|1,0,0]=3 3008 B9R0.5 CCNC(=O)CSCOC 62a_100000766300_100000183381 [0,2,0,0,0,0|1,0,0]=3 3009 B9R0.5 CCNC(=O)CSCSC 62a_100000183381_100011218213 [0,2,0,0,0,0|1,0,0]=3 3010 B9R0.5 CCNC(=O)CSCSC 62a_100011218213_100000183381 [0,2,0,0,0,0|1,0,0]=3 3011 B9R0.5 CCNC(=O)NCCCF 2708a_100015189416_100015525214 [0,2,0,0,0,0|2,0,0]=4 3012 B9R0.5 CCNC(=O)NCCCF 2708a_100015525214_100015189416 [0,2,0,0,0,0|2,0,0]=4 3013 B9R0.5 CCNC(=O)NCCCF 273464a_100015189416_100015525214 [0,2,0,0,0,0|2,0,0]=4 3014 B9R0.5 CCNC(=O)NCCCF 273464a_100015525214_100015189416 [0,2,0,0,0,0|2,0,0]=4 3015 B9R0.5 CCNC(=O)NCCCF 512a_100015189416_100015525214 [0,2,0,0,0,0|2,0,0]=4 3016 B9R0.5 CCNC(=O)NCCCF 512a_100015525214_100015189416 [0,2,0,0,0,0|2,0,0]=4 3017 B9R0.5 CCNC(=O)NCCCO 2708a_100015525214_100000182051 [0,2,0,0,0,0|2,0,0]=4 3018 B9R0.5 CCNC(=O)NCCCO 273464a_100000182051_100015525214 [0,2,0,0,0,0|2,0,0]=4 3019 B9R0.5 CCNC(=O)NCCCO 273464a_100015525214_100000182051 [0,2,0,0,0,0|2,0,0]=4 3020 B9R0.5 CCNC(=O)NCCCO 512a_100015525214_100000182051 [0,2,0,0,0,0|2,0,0]=4 3021 B9R0.5 CCNC(=O)NCCOC 2708a_100015525214_100000209980 [0,2,0,0,0,0|1,1,0]=4 3022 B9R0.5 CCNC(=O)NCCOC 273464a_100000209980_100015525214 [0,2,0,0,0,0|1,1,0]=4 3023 B9R0.5 CCNC(=O)NCCOC 273464a_100015525214_100000209980 [0,2,0,0,0,0|1,1,0]=4 3024 B9R0.5 CCNC(=O)NCCSC 2708a_100015525214_100020590264 [0,2,0,0,0,0|1,0,0]=3 3025 B9R0.5 CCNC(=O)NCCSC 2708a_100020590264_100015525214 [0,2,0,0,0,0|1,0,0]=3 3026 B9R0.5 CCNC(=O)NCCSC 273464a_100015525214_100020590264 [0,2,0,0,0,0|1,0,0]=3 3027 B9R0.5 CCNC(=O)NCCSC 273464a_100020590264_100015525214 [0,2,0,0,0,0|1,0,0]=3 3028 B9R0.5 CCNC(=O)NCCSC 512a_100015525214_100020590264 [0,2,0,0,0,0|1,0,0]=3 3029 B9R0.5 CCNC(=O)NCCSC 512a_100020590264_100015525214 [0,2,0,0,0,0|1,0,0]=3 3030 B9R0.5 CCNCCC(=O)NCC 2230a_100015525214_100000737597 [0,2,0,0,0,0|2,0,0]=4 3031 B9R0.5 CCNCCC(=O)NCC 34a_100025743525_100000210202 [0,2,0,0,0,0|2,0,0]=4 3032 B9R0.5 CCNCCC(=O)OCC 2230a_100015525214_100011206558 [0,2,0,0,0,0|1,0,0]=3 3033 B9R0.5 CCNN=CC(=O)OCC 4a_100000756455_100000742314 [0,2,0,0,0,0|1,0,1]=4 3034 B9R0.5 CCOC(=O)/C=C/CNC 2230a_106832991635_100016267167 [0,2,0,0,0,0|1,0,0]=3 3035 B9R0.5 CCOC(=O)/C=C/CNC 34a_100102657272_100016267167 [0,2,0,0,0,0|1,0,0]=3 3036 B9R0.5 CCOC(=O)/C=C/CNC 7a_106832991635_100016267167 [0,2,0,0,0,0|1,0,0]=3 3037 B9R0.5 CCOC(=O)/C=C/COC 34a_100138415774_100016267167 [0,2,0,0,0,0|0,1,0]=3 3038 B9R0.5 CCOC(=O)/C=C/CSC 62a_100016267167_200000210301 [0,2,0,0,0,0|0,0,0]=2 3039 B9R0.5 CCOC(=O)/C=C/CSC 62a_200000210301_100016267167 [0,2,0,0,0,0|0,0,0]=2 3040 B9R0.5 CCOC(=O)/C=C/CS[13CH3] 62a_100016267167_200025704644 [0,2,0,0,0,0|0,0,0]=2 3041 B9R0.5 CCOC(=O)/C=C/CS[13CH3] 62a_200025704644_100016267167 [0,2,0,0,0,0|0,0,0]=2 3042 B9R0.5 CCOC(=O)CCCNC 2230a_106832991635_100009991533 [0,2,0,0,0,0|1,0,0]=3 3043 B9R0.5 CCOC(=O)CCCNC 34a_100102657272_100009991533 [0,2,0,0,0,0|1,0,0]=3 3044 B9R0.5 CCOC(=O)CCCNC 7a_106832991635_100011215271 [0,2,0,0,0,0|1,0,0]=3 3045 B9R0.5 CCOC(=O)CCCOC 34a_100138415774_100009991533 [0,2,0,0,0,0|0,1,0]=3 3046 B9R0.5 CCOC(=O)CCCOC 7a_100012001163_200000210301 [0,2,0,0,0,0|0,1,0]=3 3047 B9R0.5 CCOC(=O)CCCO[13CH3] 7a_100012001163_200025704644 [0,2,0,0,0,0|0,1,0]=3 3048 B9R0.5 CCOC(=O)CCCSC 62a_100009991533_200000210301 [0,2,0,0,0,0|0,0,0]=2 3049 B9R0.5 CCOC(=O)CCCSC 62a_200000210301_100009991533 [0,2,0,0,0,0|0,0,0]=2 3050 B9R0.5 CCOC(=O)CCCS[13CH3] 62a_100009991533_200025704644 [0,2,0,0,0,0|0,0,0]=2 3051 B9R0.5 CCOC(=O)CCCS[13CH3] 62a_200025704644_100009991533 [0,2,0,0,0,0|0,0,0]=2 3052 B9R0.5 CCOC(=O)CCSCC 62a_100000210202_100000765890 [0,2,0,0,0,0|0,0,0]=2 3053 B9R0.5 CCOC(=O)CCSCC 62a_100000765890_100000210202 [0,2,0,0,0,0|0,0,0]=2 3054 B9R0.5 CCOC(=O)CCSCF 62a_100000765890_100015361967 [0,2,0,0,0,0|0,0,0]=2 3055 B9R0.5 CCOC(=O)CCSCF 62a_100015361967_100000765890 [0,2,0,0,0,0|0,0,0]=2 3056 B9R0.5 CCOC(=O)CNCCF 34a_100000724931_100000188475 [0,2,0,0,0,0|1,0,0]=3 3057 B9R0.5 CCOC(=O)CNCCO 2230a_100016997473_100000188475 [0,2,0,0,0,0|1,0,0]=3 3058 B9R0.5 CCOC(=O)CNCCO 34a_100016990907_100000188475 [0,2,0,0,0,0|1,0,0]=3 3059 B9R0.5 CCOC(=O)COCCBr 34a_100000211926_100000188475 [0,2,0,0,0,0|0,1,0]=3 3060 B9R0.5 CCOC(=O)COCCN 34a_100000210304_100000188475 [0,2,0,0,0,0|0,1,0]=3 3061 B9R0.5 CCOC(=O)CSCC#N 62a_100000188475_100011215382 [0,2,0,0,0,0|0,0,0]=2 3062 B9R0.5 CCOC(=O)CSCC#N 62a_100011215382_100000188475 [0,2,0,0,0,0|0,0,0]=2 3063 B9R0.5 CCOC(=O)CSCC=O 62a_100000188475_200015260668 [0,2,0,0,0,0|0,0,0]=2 3064 B9R0.5 CCOC(=O)CSCC=O 62a_200015260668_100000188475 [0,2,0,0,0,0|0,0,0]=2 3065 B9R0.5 CCOC(=O)CSCCF 62a_100000188475_100011217306 [0,2,0,0,0,0|0,0,0]=2 3066 B9R0.5 CCOC(=O)CSCCF 62a_100011217306_100000188475 [0,2,0,0,0,0|0,0,0]=2 3067 B9R0.5 CCOC(=O)CSCCO 62a_100000188475_100000211926 [0,2,0,0,0,0|0,0,0]=2 3068 B9R0.5 CCOC(=O)CSCCO 62a_100000211926_100000188475 [0,2,0,0,0,0|0,0,0]=2 3069 B9R0.5 CCOC(=O)CSCOC 62a_100000188475_100000766300 [0,2,0,0,0,0|0,0,0]=2 3070 B9R0.5 CCOC(=O)CSCOC 62a_100000766300_100000188475 [0,2,0,0,0,0|0,0,0]=2 3071 B9R0.5 CCOC(=O)CSCSC 62a_100000188475_100011218213 [0,2,0,0,0,0|0,0,0]=2 3072 B9R0.5 CCOC(=O)CSCSC 62a_100011218213_100000188475 [0,2,0,0,0,0|0,0,0]=2 3073 B9R0.5 CCOC(=O)NCCNC 7a_106832991635_200011445536 [0,2,0,0,0,0|1,0,0]=3 3074 B9R0.5 CCOC(=O)NCCOC 34a_100000158857_200000210301 [0,2,0,0,0,0|0,1,0]=3 3075 B9R0.5 CCOC(=O)NCCO[13CH3] 34a_100000158857_200025704644 [0,2,0,0,0,0|0,1,0]=3 3076 B9R0.5 CCOC(=O)NCCSC 62a_200000210301_200011445536 [0,2,0,0,0,0|0,0,0]=2 3077 B9R0.5 CCOC(=O)NCCS[13CH3] 62a_200025704644_200011445536 [0,2,0,0,0,0|0,0,0]=2 3078 B9R0.5 CCOC(=O)OCSCC 62a_100000210202_100000075025 [0,2,0,0,0,0|0,0,0]=2 3079 B9R0.5 CCOC(=O)OCSCF 62a_100015361967_100000075025 [0,2,0,0,0,0|0,0,0]=2 3080 B9R0.5 CCOC=CC(=O)CC#N 1458a_100016266692_100011214920 [0,2,0,0,0,0|2,0,0]=4 3081 B9R0.5 CCOC=CC(=O)CCF 1458a_100016266692_100011217306 [0,2,0,0,0,0|2,0,0]=4 3082 B9R0.5 CCOC=CC(=O)CCO 1458a_100016266692_100000211926 [0,2,0,0,0,0|2,0,0]=4 3083 B9R0.5 CCOC=CC(=O)NNC 22a_100016993582_100016266692 [0,2,0,0,0,0|2,0,0]=4 3084 B9R0.5 CCOCCC(=O)CC#N 1458a_100000749530_100011214920 [0,2,0,0,0,0|2,0,0]=4 3085 B9R0.5 CCOCCC(=O)CC#N 1458a_100051588842_100011215890 [0,2,0,0,0,0|2,0,0]=4 3086 B9R0.5 CCOCCC(=O)CCF 1458a_100000749530_100011217306 [0,2,0,0,0,0|2,0,0]=4 3087 B9R0.5 CCOCCC(=O)CCO 1458a_100000749530_100000211926 [0,2,0,0,0,0|2,0,0]=4 3088 B9R0.5 CCOCCC(=O)CCO 1458a_100011216618_100011215890 [0,2,0,0,0,0|2,0,0]=4 3089 B9R0.5 CCOCCC(=O)COC 1458a_100000210968_100011215890 [0,2,0,0,0,0|0,1,0]=3 3090 B9R0.5 CCOCCC(=O)CSC 1458a_100000184570_100011215890 [0,2,0,0,0,0|0,0,0]=2 3091 B9R0.5 CCOCCC(=O)NNC 22a_100016993582_100000749530 [0,2,0,0,0,0|2,0,0]=4 3092 B9R0.5 CCOCCC(=O)OCC 34a_100121572206_100000765890 [0,2,0,0,0,0|0,1,0]=3 3093 B9R0.5 CCSCCC(=O)CCF 1458a_100000230768_100011217306 [0,2,0,0,0,0|2,0,0]=4 3094 B9R0.5 CCSCCC(=O)CCO 1458a_100000230768_100000211926 [0,2,0,0,0,0|2,0,0]=4 3095 B9R0.5 CCSCCC(=O)CCO 1458a_100011216618_100000757381 [0,2,0,0,0,0|2,0,0]=4 3096 B9R0.5 CCSCCC(=O)COC 1458a_100000210968_100000757381 [0,2,0,0,0,0|0,2,0]=4 3097 B9R0.5 CCSCCC(=O)CSC 1458a_100000184570_100000757381 [0,2,0,0,0,0|0,1,0]=3 3098 B9R0.5 CCSCCC(=O)NNC 22a_100016993582_100000230768 [0,2,0,0,0,0|2,0,0]=4 3099 B9R0.5 CNCC(=O)NCCOC 2230a_100000754632_200000210301 [0,2,0,0,0,0|2,0,0]=4 3100 B9R0.5 CNCC(=O)NCCOC 2230a_106832991635_100000183275 [0,2,0,0,0,0|2,0,0]=4 3101 B9R0.5 CNCC(=O)NCCOC 34a_100102657272_100000183275 [0,2,0,0,0,0|2,0,0]=4 3102 B9R0.5 CNCC(=O)NCCOC 7a_106832991635_100000183275 [0,2,0,0,0,0|2,0,0]=4 3103 B9R0.5 CNCC(=O)OCCOC 2230a_106832991635_200000040189 [0,2,0,0,0,0|1,0,0]=3 3104 B9R0.5 CNCC(=O)OCCOC 34a_100102657272_200000040189 [0,2,0,0,0,0|1,0,0]=3 3105 B9R0.5 CNCC(=O)OCCOC 7a_106832991635_200000040189 [0,2,0,0,0,0|1,0,0]=3 3106 B9R0.5 CNNC(=O)CCCSC 22a_100016993582_100000173376 [0,2,0,0,0,0|2,0,0]=4 3107 B9R0.5 CNNC(=O)CSCC#N 22a_100016993582_100000150266 [0,2,0,0,0,0|2,0,0]=4 3108 B9R0.5 CNNC(=O)NCCSC 273464a_100020590264_100016993582 [0,2,0,0,0,0|2,0,0]=4 3109 B9R0.5 CNNC(=O)NCCSC 512a_100016993582_100020590264 [0,2,0,0,0,0|2,0,0]=4 3110 B9R0.5 CNNC(=O)NCCSC 512a_100020590264_100016993582 [0,2,0,0,0,0|2,0,0]=4 3111 B9R0.5 COCC(=O)CCCC#N 1458a_100000210968_100000211468 [0,2,0,0,0,0|1,1,0]=4 3112 B9R0.5 COCC(=O)CCCCF 1458a_100000210968_100000729493 [0,2,0,0,0,0|1,1,0]=4 3113 B9R0.5 COCC(=O)CCCCO 1458a_100000210968_100000210776 [0,2,0,0,0,0|1,1,0]=4 3114 B9R0.5 COCC(=O)NCCC#N 11a_100000720768_100000210968 [0,2,0,0,0,0|1,1,0]=4 3115 B9R0.5 COCC(=O)NCCC#N 1626a_100000720768_100000210968 [0,2,0,0,0,0|1,1,0]=4 3116 B9R0.5 COCC(=O)NCCC#N 240690a_100000720768_100000210968 [0,2,0,0,0,0|1,1,0]=4 3117 B9R0.5 COCC(=O)NCCC#N 527a_100000720768_100000210968 [0,2,0,0,0,0|1,1,0]=4 3118 B9R0.5 COCC(=O)NCCCF 11a_100015189416_100000210968 [0,2,0,0,0,0|1,1,0]=4 3119 B9R0.5 COCC(=O)NCCCF 1626a_100015189416_100000210968 [0,2,0,0,0,0|1,1,0]=4 3120 B9R0.5 COCC(=O)NCCCF 240690a_100015189416_100000210968 [0,2,0,0,0,0|1,1,0]=4 3121 B9R0.5 COCC(=O)NCCCF 527a_100015189416_100000210968 [0,2,0,0,0,0|1,1,0]=4 3122 B9R0.5 COCC(=O)NCCCO 240690a_100000182051_100000210968 [0,2,0,0,0,0|1,1,0]=4 3123 B9R0.5 COCC(=O)NCCCO 527a_100000182051_100000210968 [0,2,0,0,0,0|1,1,0]=4 3124 B9R0.5 COCC(=O)NCCSC 11a_100020590264_100000210968 [0,2,0,0,0,0|1,1,0]=4 3125 B9R0.5 COCC(=O)NCCSC 1626a_100020590264_100000210968 [0,2,0,0,0,0|1,1,0]=4 3126 B9R0.5 COCC(=O)NCCSC 240690a_100020590264_100000210968 [0,2,0,0,0,0|1,1,0]=4 3127 B9R0.5 COCC(=O)NCCSC 527a_100020590264_100000210968 [0,2,0,0,0,0|1,1,0]=4 3128 B9R0.5 COCC(=O)NNCCO 22a_100000210001_100000210968 [0,2,0,0,0,0|1,1,0]=4 3129 B9R0.5 COCCCC(=O)COC 1458a_100000210968_100000740836 [0,2,0,0,0,0|1,1,0]=4 3130 B9R0.5 COCCCC(=O)CSC 1458a_100000184570_100000740836 [0,2,0,0,0,0|1,0,0]=3 3131 B9R0.5 COCCNC(=O)CN[13CH3] 2230a_100000754632_200025704644 [0,2,0,0,0,0|2,0,0]=4 3132 B9R0.5 COCCNC(=O)COC 1626a_100000209980_100000210968 [0,2,0,0,0,0|1,1,0]=4 3133 B9R0.5 COCCNC(=O)COC 240690a_100000209980_100000210968 [0,2,0,0,0,0|1,1,0]=4 3134 B9R0.5 COCCNC(=O)COC 34a_100138415774_100000183275 [0,2,0,0,0,0|1,1,0]=4 3135 B9R0.5 COCCNC(=O)COC 527a_100000209980_100000210968 [0,2,0,0,0,0|1,1,0]=4 3136 B9R0.5 COCCNC(=O)CSC 1626a_100000209980_100000184570 [0,2,0,0,0,0|1,0,0]=3 3137 B9R0.5 COCCNC(=O)CSC 240690a_100000209980_100000184570 [0,2,0,0,0,0|1,0,0]=3 3138 B9R0.5 COCCNC(=O)CSC 527a_100000209980_100000184570 [0,2,0,0,0,0|1,0,0]=3 3139 B9R0.5 COCCNC(=O)CSC 62a_100000183275_200000210301 [0,2,0,0,0,0|1,0,0]=3 3140 B9R0.5 COCCNC(=O)CSC 62a_200000210301_100000183275 [0,2,0,0,0,0|1,0,0]=3 3141 B9R0.5 COCCNC(=O)CS[13CH3] 62a_100000183275_200025704644 [0,2,0,0,0,0|1,0,0]=3 3142 B9R0.5 COCCNC(=O)CS[13CH3] 62a_200025704644_100000183275 [0,2,0,0,0,0|1,0,0]=3 3143 B9R0.5 COCCOC(=O)COC 34a_100138415774_200000040189 [0,2,0,0,0,0|0,1,0]=3 3144 B9R0.5 COCCOC(=O)CSC 62a_200000040189_200000210301 [0,2,0,0,0,0|0,0,0]=2 3145 B9R0.5 COCCOC(=O)CSC 62a_200000210301_200000040189 [0,2,0,0,0,0|0,0,0]=2 3146 B9R0.5 COCCOC(=O)CS[13CH3] 62a_200000040189_200025704644 [0,2,0,0,0,0|0,0,0]=2 3147 B9R0.5 COCCOC(=O)CS[13CH3] 62a_200025704644_200000040189 [0,2,0,0,0,0|0,0,0]=2 3148 B9R0.5 COCSCC(=O)NCO 62a_100000185155_100000766300 [0,2,0,0,0,0|2,0,0]=4 3149 B9R0.5 COCSCC(=O)NCO 62a_100000766300_100000185155 [0,2,0,0,0,0|2,0,0]=4 3150 B9R0.5 CSCC(=NNCCO)C 4a_100000210001_100011216314 [0,2,0,0,0,0|2,0,0]=4 3151 B9R0.5 CSCC(=O)CC#CCO 1458a_100000184570_200000047223 [0,2,0,0,0,0|1,0,1]=4 3152 B9R0.5 CSCC(=O)CCCC#N 1458a_100000184570_100000211468 [0,2,0,0,0,0|1,0,0]=3 3153 B9R0.5 CSCC(=O)CCCCF 1458a_100000184570_100000729493 [0,2,0,0,0,0|1,0,0]=3 3154 B9R0.5 CSCC(=O)CCCCO 1458a_100000184570_100000210776 [0,2,0,0,0,0|1,0,0]=3 3155 B9R0.5 CSCC(=O)NCCC#N 11a_100000720768_100000184570 [0,2,0,0,0,0|1,0,0]=3 3156 B9R0.5 CSCC(=O)NCCC#N 1626a_100000720768_100000184570 [0,2,0,0,0,0|1,0,0]=3 3157 B9R0.5 CSCC(=O)NCCC#N 240690a_100000720768_100000184570 [0,2,0,0,0,0|1,0,0]=3 3158 B9R0.5 CSCC(=O)NCCC#N 527a_100000720768_100000184570 [0,2,0,0,0,0|1,0,0]=3 3159 B9R0.5 CSCC(=O)NCCCF 11a_100015189416_100000184570 [0,2,0,0,0,0|1,0,0]=3 3160 B9R0.5 CSCC(=O)NCCCF 1626a_100015189416_100000184570 [0,2,0,0,0,0|1,0,0]=3 3161 B9R0.5 CSCC(=O)NCCCF 240690a_100015189416_100000184570 [0,2,0,0,0,0|1,0,0]=3 3162 B9R0.5 CSCC(=O)NCCCF 527a_100015189416_100000184570 [0,2,0,0,0,0|1,0,0]=3 3163 B9R0.5 CSCC(=O)NCCCO 240690a_100000182051_100000184570 [0,2,0,0,0,0|1,0,0]=3 3164 B9R0.5 CSCC(=O)NCCCO 527a_100000182051_100000184570 [0,2,0,0,0,0|1,0,0]=3 3165 B9R0.5 CSCC(=O)NNCCO 22a_100000210001_100000184570 [0,2,0,0,0,0|1,0,0]=3 3166 B9R0.5 CSCCCC(=O)CCF 1458a_100000173376_100011217306 [0,2,0,0,0,0|2,0,0]=4 3167 B9R0.5 CSCCCC(=O)CCO 1458a_100000173376_100000211926 [0,2,0,0,0,0|2,0,0]=4 3168 B9R0.5 CSCCNC(=O)CCO 240690a_100020590264_100011216618 [0,2,0,0,0,0|2,0,0]=4 3169 B9R0.5 CSCCNC(=O)CSC 11a_100020590264_100000184570 [0,2,0,0,0,0|1,0,0]=3 3170 B9R0.5 CSCCNC(=O)CSC 1626a_100020590264_100000184570 [0,2,0,0,0,0|1,0,0]=3 3171 B9R0.5 CSCCNC(=O)CSC 240690a_100020590264_100000184570 [0,2,0,0,0,0|1,0,0]=3 3172 B9R0.5 CSCCNC(=O)CSC 527a_100020590264_100000184570 [0,2,0,0,0,0|1,0,0]=3 3173 B9R0.5 CSCSCC(=O)NCO 62a_100000185155_100011218213 [0,2,0,0,0,0|2,0,0]=4 3174 B9R0.5 CSCSCC(=O)NCO 62a_100011218213_100000185155 [0,2,0,0,0,0|2,0,0]=4 3175 B9R0.5 N#CCC(=O)COCCO 1458a_100000708028_100011214920 [0,2,0,0,0,0|2,0,0]=4 3176 B9R0.5 N#CCSCC(=O)CCF 1458a_100000150266_100011217306 [0,2,0,0,0,0|2,0,0]=4 3177 B9R0.5 N#CCSCC(=O)CCO 1458a_100000150266_100000211926 [0,2,0,0,0,0|2,0,0]=4 3178 B9R0.5 N#CCSCC(=O)NCO 62a_100000185155_100011215382 [0,2,0,0,0,0|2,0,0]=4 3179 B9R0.5 N#CCSCC(=O)NCO 62a_100011215382_100000185155 [0,2,0,0,0,0|2,0,0]=4 3180 B9R0.5 O=C(CCF)COCCO 1458a_100000708028_100011217306 [0,2,0,0,0,0|2,0,0]=4 3181 B9R0.5 O=C(CCO)COCCO 1458a_100000708028_100000211926 [0,2,0,0,0,0|2,0,0]=4 3182 B9R0.5 O=C(CSCCF)NCO 62a_100000185155_100011217306 [0,2,0,0,0,0|2,0,0]=4 3183 B9R0.5 O=C(CSCCF)NCO 62a_100011217306_100000185155 [0,2,0,0,0,0|2,0,0]=4 3184 B9R0.5 O=C(CSCCO)NCO 62a_100000185155_100000211926 [0,2,0,0,0,0|2,0,0]=4 3185 B9R0.5 O=C(CSCCO)NCO 62a_100000211926_100000185155 [0,2,0,0,0,0|2,0,0]=4 3186 B9R0.5 O=CCSCC(=O)NCO 62a_100000185155_200015260668 [0,2,0,0,0,0|2,0,0]=4 3187 B9R0.5 O=CCSCC(=O)NCO 62a_200015260668_100000185155 [0,2,0,0,0,0|2,0,0]=4 3188 B9R0.8 C#CC(C)C(=O)COCC 1458a_100000211967_200000035995 [0,2,0,0,0,0|1,0,1]=4 3189 B9R0.8 C#CCCC(=O)C(C)SC 1458a_100000149566_100000753159 [0,2,0,0,0,0|1,0,1]=4 3190 B9R0.8 C#CCNC(=O)C(C)SC 11a_100000212058_100000149566 [0,2,0,0,0,0|1,0,1]=4 3191 B9R0.8 C#CCNC(=O)C(C)SC 1626a_100000212058_100000149566 [0,2,0,0,0,0|1,0,1]=4 3192 B9R0.8 C#CCNC(=O)C(C)SC 240690a_100000212058_100000149566 [0,2,0,0,0,0|1,0,1]=4 3193 B9R0.8 C#CCNC(=O)C(C)SC 527a_100000212058_100000149566 [0,2,0,0,0,0|1,0,1]=4 3194 B9R0.8 C#CCNC(=O)C(C)SC 62a_100000735948_200000210301 [0,2,0,0,0,0|1,0,1]=4 3195 B9R0.8 C#CCNC(=O)C(C)SC 62a_200000210301_100000735948 [0,2,0,0,0,0|1,0,1]=4 3196 B9R0.8 C#CCNC(=O)C(C)S[13CH3] 62a_100000735948_200025704644 [0,2,0,0,0,0|1,0,1]=4 3197 B9R0.8 C#CCNC(=O)C(C)S[13CH3] 62a_200025704644_100000735948 [0,2,0,0,0,0|1,0,1]=4 3198 B9R0.8 C/C=C(\C)/C(=O)CCSC 1458a_100020587367_100000751147 [0,2,0,0,0,0|1,0,1]=4 3199 B9R0.8 C/C=C/CC(=O)C(C)CC 1458a_100011192722_100102629194 [0,2,0,0,0,0|2,0,0]=4 3200 B9R0.8 C/C=C/CC(=O)C(C)SC 1458a_100000149566_100102629194 [0,2,0,0,0,0|1,0,1]=4 3201 B9R0.8 C/C=C/CC(=O)C(O)CC 1458a_100011196387_100102629194 [0,2,0,0,0,0|2,0,0]=4 3202 B9R0.8 C=CCCC(=O)C(C)SC 1458a_100000149566_100000754431 [0,2,0,0,0,0|1,0,1]=4 3203 B9R0.8 C=CCNC(=O)C(C)SC 1626a_100020586998_100000149566 [0,2,0,0,0,0|1,0,1]=4 3204 B9R0.8 C=CCNC(=O)C(C)SC 240690a_100020586998_100000149566 [0,2,0,0,0,0|1,0,1]=4 3205 B9R0.8 C=CCNC(=O)C(C)SC 527a_100020586998_100000149566 [0,2,0,0,0,0|1,0,1]=4 3206 B9R0.8 C=CCNC(=O)C(C)SC 62a_100000230288_200000210301 [0,2,0,0,0,0|1,0,1]=4 3207 B9R0.8 C=CCNC(=O)C(C)SC 62a_200000210301_100000230288 [0,2,0,0,0,0|1,0,1]=4 3208 B9R0.8 C=CCNC(=O)C(C)S[13CH3] 62a_100000230288_200025704644 [0,2,0,0,0,0|1,0,1]=4 3209 B9R0.8 C=CCNC(=O)C(C)S[13CH3] 62a_200025704644_100000230288 [0,2,0,0,0,0|1,0,1]=4 3210 B9R0.8 CC#CCC(=O)C(C)CC 1458a_100011192722_100000748600 [0,2,0,0,0,0|2,0,0]=4 3211 B9R0.8 CC#CCC(=O)C(C)SC 1458a_100000149566_100000748600 [0,2,0,0,0,0|1,0,1]=4 3212 B9R0.8 CC#CCC(=O)C(O)CC 1458a_100011196387_100000748600 [0,2,0,0,0,0|2,0,0]=4 3213 B9R0.8 CC=CCC(=O)C(C)CC 1458a_100011192722_100000070051 [0,2,0,0,0,0|2,0,0]=4 3214 B9R0.8 CC=CCC(=O)C(C)CC 1458a_100121576822_100000758301 [0,2,0,0,0,0|2,0,0]=4 3215 B9R0.8 CC=CCC(=O)C(C)SC 1458a_100000149566_100000070051 [0,2,0,0,0,0|1,0,1]=4 3216 B9R0.8 CC=CCC(=O)C(O)CC 1458a_100011196387_100000070051 [0,2,0,0,0,0|2,0,0]=4 3217 B9R0.8 CC=CCC(=O)N(C)CC 11a_100000225621_100121576822 [0,2,0,0,0,0|2,0,0]=4 3218 B9R0.8 CC=CCC(=O)N(C)CC 1626a_100000225621_100121576822 [0,2,0,0,0,0|2,0,0]=4 3219 B9R0.8 CC=CCC(=O)N(C)CC 240690a_100000225621_100121576822 [0,2,0,0,0,0|2,0,0]=4 3220 B9R0.8 CC=CCC(=O)N(C)CC 527a_100000225621_100121576822 [0,2,0,0,0,0|2,0,0]=4 3221 B9R0.8 CCC#CC(=O)C(C)CC 1458a_100011827653_100000758301 [0,2,0,0,0,0|2,0,0]=4 3222 B9R0.8 CCC(C)C(=O)CCCF 1458a_100011192722_100011934791 [0,2,0,0,0,0|2,0,0]=4 3223 B9R0.8 CCC(C)C(=O)CCCO 1458a_100011192722_100011215043 [0,2,0,0,0,0|2,0,0]=4 3224 B9R0.8 CCC(C)C(=O)CCOC 1458a_100000749529_100000758301 [0,2,0,0,0,0|1,1,0]=4 3225 B9R0.8 CCC(C)C(=O)CCOC 1458a_100011192722_100000233755 [0,2,0,0,0,0|1,1,0]=4 3226 B9R0.8 CCC(C)C(=O)CCSC 1458a_100000174002_100000758301 [0,2,0,0,0,0|1,0,0]=3 3227 B9R0.8 CCC(C)C(=O)CCSC 1458a_100011192722_100000751147 [0,2,0,0,0,0|1,0,0]=3 3228 B9R0.8 CCC(C)C(=O)NCCF 11a_100000724931_100011192722 [0,2,0,0,0,0|2,0,0]=4 3229 B9R0.8 CCC(C)C(=O)NCCF 1626a_100000724931_100011192722 [0,2,0,0,0,0|2,0,0]=4 3230 B9R0.8 CCC(C)C(=O)NCCF 240690a_100000724931_100011192722 [0,2,0,0,0,0|2,0,0]=4 3231 B9R0.8 CCC(C)C(=O)NCCF 527a_100000724931_100011192722 [0,2,0,0,0,0|2,0,0]=4 3232 B9R0.8 CCC(C)C(=O)NCCO 240690a_100000210304_100011192722 [0,2,0,0,0,0|2,0,0]=4 3233 B9R0.8 CCC(C)C(=O)NCCO 527a_100000210304_100011192722 [0,2,0,0,0,0|2,0,0]=4 3234 B9R0.8 CCC(O)C(=O)CCCF 1458a_100011196387_100011934791 [0,2,0,0,0,0|2,0,0]=4 3235 B9R0.8 CCC(O)C(=O)CCCO 1458a_100011196387_100011215043 [0,2,0,0,0,0|2,0,0]=4 3236 B9R0.8 CCC(O)C(=O)CCOC 1458a_100011196387_100000233755 [0,2,0,0,0,0|1,1,0]=4 3237 B9R0.8 CCC(O)C(=O)CCSC 1458a_100011196387_100000751147 [0,2,0,0,0,0|1,0,0]=3 3238 B9R0.8 CCC(O)C(=O)NCCF 240690a_100000724931_100011196387 [0,2,0,0,0,0|2,0,0]=4 3239 B9R0.8 CCC(O)C(=O)NCCO 240690a_100000210304_100011196387 [0,2,0,0,0,0|2,0,0]=4 3240 B9R0.8 CCC=CC(=O)C(C)CC 1458a_100000212282_100000758301 [0,2,0,0,0,0|2,0,0]=4 3241 B9R0.8 CCCCC(=O)C(C)CC 1458a_100000210183_100000758301 [0,2,0,0,0,0|2,0,0]=4 3242 B9R0.8 CCCCC(=O)C(C)CC 1458a_100011192722_100000210211 [0,2,0,0,0,0|2,0,0]=4 3243 B9R0.8 CCCCC(=O)C(C)OC 1458a_100000743197_100000210211 [0,2,0,0,0,0|1,1,0]=4 3244 B9R0.8 CCCCC(=O)C(C)SC 1458a_100000149566_100000210211 [0,2,0,0,0,0|1,0,0]=3 3245 B9R0.8 CCCCC(=O)C(O)CC 1458a_100011196387_100000210211 [0,2,0,0,0,0|2,0,0]=4 3246 B9R0.8 CCCCC(=O)N(C)CC 11a_100000225621_100000210183 [0,2,0,0,0,0|2,0,0]=4 3247 B9R0.8 CCCCC(=O)N(C)CC 1626a_100000225621_100000210183 [0,2,0,0,0,0|2,0,0]=4 3248 B9R0.8 CCCCC(=O)N(C)CC 240690a_100000225621_100000210183 [0,2,0,0,0,0|2,0,0]=4 3249 B9R0.8 CCCCC(=O)N(C)CC 527a_100000225621_100000210183 [0,2,0,0,0,0|2,0,0]=4 3250 B9R0.8 CCCNC(=O)C(=O)CC 1458a_200011297150_100000210202 [0,2,0,0,0,0|2,0,0]=4 3251 B9R0.8 CCCNC(=O)C(C)CC 11a_100020643023_100011192722 [0,2,0,0,0,0|2,0,0]=4 3252 B9R0.8 CCCNC(=O)C(C)CC 1626a_100020643023_100011192722 [0,2,0,0,0,0|2,0,0]=4 3253 B9R0.8 CCCNC(=O)C(C)CC 240690a_100020643023_100011192722 [0,2,0,0,0,0|2,0,0]=4 3254 B9R0.8 CCCNC(=O)C(C)CC 527a_100020643023_100011192722 [0,2,0,0,0,0|2,0,0]=4 3255 B9R0.8 CCCNC(=O)C(C)NC 2230a_100025744714_200000210301 [0,2,0,0,0,0|2,0,0]=4 3256 B9R0.8 CCCNC(=O)C(C)NC 2230a_106832991635_100000230305 [0,2,0,0,0,0|2,0,0]=4 3257 B9R0.8 CCCNC(=O)C(C)NC 34a_100025744714_200000210301 [0,2,0,0,0,0|2,0,0]=4 3258 B9R0.8 CCCNC(=O)C(C)NC 34a_100102657272_100000230305 [0,2,0,0,0,0|2,0,0]=4 3259 B9R0.8 CCCNC(=O)C(C)NC 7a_106832991635_100000230305 [0,2,0,0,0,0|2,0,0]=4 3260 B9R0.8 CCCNC(=O)C(C)N[13CH3] 2230a_100025744714_200025704644 [0,2,0,0,0,0|2,0,0]=4 3261 B9R0.8 CCCNC(=O)C(C)N[13CH3] 34a_100025744714_200025704644 [0,2,0,0,0,0|2,0,0]=4 3262 B9R0.8 CCCNC(=O)C(C)OC 11a_100020643023_100000743197 [0,2,0,0,0,0|1,1,0]=4 3263 B9R0.8 CCCNC(=O)C(C)OC 1626a_100020643023_100000743197 [0,2,0,0,0,0|1,1,0]=4 3264 B9R0.8 CCCNC(=O)C(C)OC 240690a_100020643023_100000743197 [0,2,0,0,0,0|1,1,0]=4 3265 B9R0.8 CCCNC(=O)C(C)OC 34a_100138415774_100000230305 [0,2,0,0,0,0|1,1,0]=4 3266 B9R0.8 CCCNC(=O)C(C)OC 527a_100020643023_100000743197 [0,2,0,0,0,0|1,1,0]=4 3267 B9R0.8 CCCNC(=O)C(C)SC 11a_100020643023_100000149566 [0,2,0,0,0,0|1,0,0]=3 3268 B9R0.8 CCCNC(=O)C(C)SC 1626a_100020643023_100000149566 [0,2,0,0,0,0|1,0,0]=3 3269 B9R0.8 CCCNC(=O)C(C)SC 240690a_100020643023_100000149566 [0,2,0,0,0,0|1,0,0]=3 3270 B9R0.8 CCCNC(=O)C(C)SC 527a_100020643023_100000149566 [0,2,0,0,0,0|1,0,0]=3 3271 B9R0.8 CCCNC(=O)C(C)SC 62a_100000230305_200000210301 [0,2,0,0,0,0|1,0,0]=3 3272 B9R0.8 CCCNC(=O)C(C)SC 62a_200000210301_100000230305 [0,2,0,0,0,0|1,0,0]=3 3273 B9R0.8 CCCNC(=O)C(C)S[13CH3] 62a_100000230305_200025704644 [0,2,0,0,0,0|1,0,0]=3 3274 B9R0.8 CCCNC(=O)C(C)S[13CH3] 62a_200025704644_100000230305 [0,2,0,0,0,0|1,0,0]=3 3275 B9R0.8 CCCNC(=O)C(O)CC 240690a_100020643023_100011196387 [0,2,0,0,0,0|2,0,0]=4 3276 B9R0.8 CCCNC(=O)N(C)CC 2708a_100020643023_100000225621 [0,2,0,0,0,0|2,0,0]=4 3277 B9R0.8 CCCNC(=O)N(C)CC 273464a_100020643023_100000225621 [0,2,0,0,0,0|2,0,0]=4 3278 B9R0.8 CCCOC(=O)C(C)NC 2230a_106832991635_100000760410 [0,2,0,0,0,0|1,0,0]=3 3279 B9R0.8 CCCOC(=O)C(C)NC 34a_100102657272_100000760410 [0,2,0,0,0,0|1,0,0]=3 3280 B9R0.8 CCCOC(=O)C(C)NC 7a_106832991635_100000760410 [0,2,0,0,0,0|1,0,0]=3 3281 B9R0.8 CCCOC(=O)C(C)OC 34a_100000037348_200000210301 [0,2,0,0,0,0|0,1,0]=3 3282 B9R0.8 CCCOC(=O)C(C)OC 34a_100138415774_100000760410 [0,2,0,0,0,0|0,1,0]=3 3283 B9R0.8 CCCOC(=O)C(C)OC 7a_100000037348_200000210301 [0,2,0,0,0,0|0,1,0]=3 3284 B9R0.8 CCCOC(=O)C(C)O[13CH3] 34a_100000037348_200025704644 [0,2,0,0,0,0|0,1,0]=3 3285 B9R0.8 CCCOC(=O)C(C)O[13CH3] 7a_100000037348_200025704644 [0,2,0,0,0,0|0,1,0]=3 3286 B9R0.8 CCCOC(=O)C(C)SC 62a_100000760410_200000210301 [0,2,0,0,0,0|0,0,0]=2 3287 B9R0.8 CCCOC(=O)C(C)SC 62a_200000210301_100000760410 [0,2,0,0,0,0|0,0,0]=2 3288 B9R0.8 CCCOC(=O)C(C)S[13CH3] 62a_100000760410_200025704644 [0,2,0,0,0,0|0,0,0]=2 3289 B9R0.8 CCCOC(=O)C(C)S[13CH3] 62a_200025704644_100000760410 [0,2,0,0,0,0|0,0,0]=2 3290 B9R0.8 CCN(C)C(=O)CCOC 11a_100000225621_100000749529 [0,2,0,0,0,0|1,1,0]=4 3291 B9R0.8 CCN(C)C(=O)CCOC 1626a_100000225621_100000749529 [0,2,0,0,0,0|1,1,0]=4 3292 B9R0.8 CCN(C)C(=O)CCOC 240690a_100000225621_100000749529 [0,2,0,0,0,0|1,1,0]=4 3293 B9R0.8 CCN(C)C(=O)CCOC 527a_100000225621_100000749529 [0,2,0,0,0,0|1,1,0]=4 3294 B9R0.8 CCN(C)C(=O)CCSC 11a_100000225621_100000174002 [0,2,0,0,0,0|1,0,0]=3 3295 B9R0.8 CCN(C)C(=O)CCSC 1626a_100000225621_100000174002 [0,2,0,0,0,0|1,0,0]=3 3296 B9R0.8 CCN(C)C(=O)CCSC 240690a_100000225621_100000174002 [0,2,0,0,0,0|1,0,0]=3 3297 B9R0.8 CCN(C)C(=O)CCSC 527a_100000225621_100000174002 [0,2,0,0,0,0|1,0,0]=3 3298 B9R0.8 CCN(C)C(=O)CSCF 62a_100000738999_100015361967 [0,2,0,0,0,0|1,0,0]=3 3299 B9R0.8 CCN(C)C(=O)CSCF 62a_100015361967_100000738999 [0,2,0,0,0,0|1,0,0]=3 3300 B9R0.8 CCNCC(=O)N(C)CC 2230a_100015525214_100000738999 [0,2,0,0,0,0|2,0,0]=4 3301 B9R0.8 CCNN=C(C)C(C)SC 4a_100000756455_200011218923 [0,2,0,0,0,0|2,0,0]=4 3302 B9R0.8 CCNNC(=O)C(C)CC 22a_100000756455_100011192722 [0,2,0,0,0,0|2,0,0]=4 3303 B9R0.8 CCNNC(=O)C(C)OC 22a_100000756455_100000743197 [0,2,0,0,0,0|1,1,0]=4 3304 B9R0.8 CCNNC(=O)C(C)SC 22a_100000756455_100000149566 [0,2,0,0,0,0|1,0,0]=3 3305 B9R0.8 CCNNC(=O)C(O)CC 22a_100000756455_100011196387 [0,2,0,0,0,0|2,0,0]=4 3306 B9R0.8 CCOCC(=O)C(=O)OC 34a_100121572206_100011610305 [0,2,0,0,0,0|0,1,1]=4 3307 B9R0.8 CCOCC(=O)C(C)C#N 1458a_100000211967_100000703298 [0,2,0,0,0,0|2,0,0]=4 3308 B9R0.8 CCOCC(=O)C(C)CC 1458a_100000211967_100000758301 [0,2,0,0,0,0|1,0,0]=3 3309 B9R0.8 CCOCC(=O)N(C)CC 11a_100000225621_100000211967 [0,2,0,0,0,0|1,1,0]=4 3310 B9R0.8 CCOCC(=O)N(C)CC 1626a_100000225621_100000211967 [0,2,0,0,0,0|1,1,0]=4 3311 B9R0.8 CCOCC(=O)N(C)CC 240690a_100000225621_100000211967 [0,2,0,0,0,0|1,1,0]=4 3312 B9R0.8 CCOCC(=O)N(C)CC 34a_100121572206_100000738999 [0,2,0,0,0,0|1,1,0]=4 3313 B9R0.8 CCOCC(=O)N(C)CC 527a_100000225621_100000211967 [0,2,0,0,0,0|1,1,0]=4 3314 B9R0.8 CCSCC(=O)C(=O)OC 62a_100000210202_100011610305 [0,2,0,0,0,0|2,0,0]=4 3315 B9R0.8 CCSCC(=O)C(=O)OC 62a_100011610305_100000210202 [0,2,0,0,0,0|2,0,0]=4 3316 B9R0.8 CCSCC(=O)C(C)CC 1458a_100000230394_100000758301 [0,2,0,0,0,0|1,0,0]=3 3317 B9R0.8 CCSCC(=O)N(C)CC 11a_100000225621_100000230394 [0,2,0,0,0,0|1,0,0]=3 3318 B9R0.8 CCSCC(=O)N(C)CC 1626a_100000225621_100000230394 [0,2,0,0,0,0|1,0,0]=3 3319 B9R0.8 CCSCC(=O)N(C)CC 240690a_100000225621_100000230394 [0,2,0,0,0,0|1,0,0]=3 3320 B9R0.8 CCSCC(=O)N(C)CC 527a_100000225621_100000230394 [0,2,0,0,0,0|1,0,0]=3 3321 B9R0.8 CCSCC(=O)N(C)CC 62a_100000210202_100000738999 [0,2,0,0,0,0|1,0,0]=3 3322 B9R0.8 CCSCC(=O)N(C)CC 62a_100000738999_100000210202 [0,2,0,0,0,0|1,0,0]=3 3323 B9R0.8 CCSCC(=O)N(C)OC 62a_100000210202_100000764215 [0,2,0,0,0,0|2,0,0]=4 3324 B9R0.8 CCSCC(=O)N(C)OC 62a_100000764215_100000210202 [0,2,0,0,0,0|2,0,0]=4 3325 B9R0.8 CNC(=O)C(=O)CCSC 1458a_100011218921_100000751147 [0,2,0,0,0,0|2,0,0]=4 3326 B9R0.8 COC(=O)C(=O)CSCF 62a_100011610305_100015361967 [0,2,0,0,0,0|2,0,0]=4 3327 B9R0.8 COC(=O)C(=O)CSCF 62a_100015361967_100011610305 [0,2,0,0,0,0|2,0,0]=4 3328 B9R0.8 COC(C)C(=O)CCCF 1458a_100000743197_100011934791 [0,2,0,0,0,0|1,1,0]=4 3329 B9R0.8 COC(C)C(=O)CCCO 1458a_100000743197_100011215043 [0,2,0,0,0,0|1,1,0]=4 3330 B9R0.8 COC(C)C(=O)CCSC 1458a_100000743197_100000751147 [0,2,0,0,0,0|1,1,0]=4 3331 B9R0.8 COC(C)C(=O)NCCF 11a_100000724931_100000743197 [0,2,0,0,0,0|1,1,0]=4 3332 B9R0.8 COC(C)C(=O)NCCF 1626a_100000724931_100000743197 [0,2,0,0,0,0|1,1,0]=4 3333 B9R0.8 COC(C)C(=O)NCCF 240690a_100000724931_100000743197 [0,2,0,0,0,0|1,1,0]=4 3334 B9R0.8 COC(C)C(=O)NCCF 527a_100000724931_100000743197 [0,2,0,0,0,0|1,1,0]=4 3335 B9R0.8 COC(C)C(=O)NCCO 240690a_100000210304_100000743197 [0,2,0,0,0,0|1,1,0]=4 3336 B9R0.8 COC(C)C(=O)NCCO 527a_100000210304_100000743197 [0,2,0,0,0,0|1,1,0]=4 3337 B9R0.8 COCCC(=O)C(C)OC 1458a_100000743197_100000233755 [0,2,0,0,0,0|1,1,0]=4 3338 B9R0.8 COCCC(=O)C(C)SC 1458a_100000149566_100000233755 [0,2,0,0,0,0|1,0,0]=3 3339 B9R0.8 CON(C)C(=O)CSCF 62a_100000764215_100015361967 [0,2,0,0,0,0|2,0,0]=4 3340 B9R0.8 CON(C)C(=O)CSCF 62a_100015361967_100000764215 [0,2,0,0,0,0|2,0,0]=4 3341 B9R0.8 CSC(C)C(=O)CCC#N 1458a_100000149566_100011215226 [0,2,0,0,0,0|1,0,1]=4 3342 B9R0.8 CSC(C)C(=O)CCCF 1458a_100000149566_100011934791 [0,2,0,0,0,0|1,0,0]=3 3343 B9R0.8 CSC(C)C(=O)CCCO 1458a_100000149566_100011215043 [0,2,0,0,0,0|1,0,0]=3 3344 B9R0.8 CSC(C)C(=O)NCC#N 1626a_100000734998_100000149566 [0,2,0,0,0,0|1,0,1]=4 3345 B9R0.8 CSC(C)C(=O)NCC#N 527a_100000734998_100000149566 [0,2,0,0,0,0|1,0,1]=4 3346 B9R0.8 CSC(C)C(=O)NCCF 11a_100000724931_100000149566 [0,2,0,0,0,0|1,0,0]=3 3347 B9R0.8 CSC(C)C(=O)NCCF 1626a_100000724931_100000149566 [0,2,0,0,0,0|1,0,0]=3 3348 B9R0.8 CSC(C)C(=O)NCCF 240690a_100000724931_100000149566 [0,2,0,0,0,0|1,0,0]=3 3349 B9R0.8 CSC(C)C(=O)NCCF 527a_100000724931_100000149566 [0,2,0,0,0,0|1,0,0]=3 3350 B9R0.8 CSC(C)C(=O)NCCO 240690a_100000210304_100000149566 [0,2,0,0,0,0|1,0,0]=3 3351 B9R0.8 CSC(C)C(=O)NCCO 527a_100000210304_100000149566 [0,2,0,0,0,0|1,0,0]=3 3352 B9R0.8 CSCCC(=O)C(C)SC 1458a_100000149566_100000751147 [0,2,0,0,0,0|1,0,0]=3 3353 B9R0.8 CSCCC(=O)C(O)CO 1458a_100011215603_100000751147 [0,2,0,0,0,0|2,0,0]=4 3354 B9R0.18 C#CCCC(=O)CCSC 1458a_100000174002_100000753159 [0,2,0,0,0,0|1,0,1]=4 3355 B9R0.18 C#CCCC(=O)CCSC 1458a_100000692101_100000751147 [0,2,0,0,0,0|1,0,1]=4 3356 B9R0.18 C#CCCC(=O)COCC 1458a_100000211967_100000753159 [0,2,0,0,0,0|1,0,1]=4 3357 B9R0.18 C#CCCC(=O)CSCC 1458a_100000230394_100000753159 [0,2,0,0,0,0|1,0,1]=4 3358 B9R0.18 C#CCNC(=O)CCSC 11a_100000212058_100000174002 [0,2,0,0,0,0|1,0,1]=4 3359 B9R0.18 C#CCNC(=O)CCSC 1626a_100000212058_100000174002 [0,2,0,0,0,0|1,0,1]=4 3360 B9R0.18 C#CCNC(=O)CCSC 240690a_100000212058_100000174002 [0,2,0,0,0,0|1,0,1]=4 3361 B9R0.18 C#CCNC(=O)CCSC 527a_100000212058_100000174002 [0,2,0,0,0,0|1,0,1]=4 3362 B9R0.18 C#CCNC(=O)COCC 11a_100000212058_100000211967 [0,2,0,0,0,0|1,0,1]=4 3363 B9R0.18 C#CCNC(=O)COCC 1626a_100000212058_100000211967 [0,2,0,0,0,0|1,0,1]=4 3364 B9R0.18 C#CCNC(=O)COCC 240690a_100000212058_100000211967 [0,2,0,0,0,0|1,0,1]=4 3365 B9R0.18 C#CCNC(=O)COCC 527a_100000212058_100000211967 [0,2,0,0,0,0|1,0,1]=4 3366 B9R0.18 C#CCNC(=O)CSCC 11a_100000212058_100000230394 [0,2,0,0,0,0|1,0,1]=4 3367 B9R0.18 C#CCNC(=O)CSCC 1626a_100000212058_100000230394 [0,2,0,0,0,0|1,0,1]=4 3368 B9R0.18 C#CCNC(=O)CSCC 240690a_100000212058_100000230394 [0,2,0,0,0,0|1,0,1]=4 3369 B9R0.18 C#CCNC(=O)CSCC 527a_100000212058_100000230394 [0,2,0,0,0,0|1,0,1]=4 3370 B9R0.18 C/C=C/CC(=O)C#CCC 1458a_100011827653_100102629194 [0,2,0,0,0,0|2,0,0]=4 3371 B9R0.18 C/C=C/CC(=O)C=CCC 1458a_100000212282_100102629194 [0,2,0,0,0,0|2,0,0]=4 3372 B9R0.18 C/C=C/CC(=O)CCCC 1458a_100000210183_100102629194 [0,2,0,0,0,0|2,0,0]=4 3373 B9R0.18 C/C=C/CC(=O)CCOC 1458a_100000749529_100102629194 [0,2,0,0,0,0|2,0,0]=4 3374 B9R0.18 C/C=C/CC(=O)CCSC 1458a_100000174002_100102629194 [0,2,0,0,0,0|1,0,1]=4 3375 B9R0.18 C/C=C/CC(=O)COCC 1458a_100000211967_100102629194 [0,2,0,0,0,0|1,0,0]=3 3376 B9R0.18 C/C=C/CC(=O)CSCC 1458a_100000230394_100102629194 [0,2,0,0,0,0|1,0,1]=4 3377 B9R0.18 C=C(COCC)OCOC 34a_100121572206_100000042856 [0,2,0,0,0,0|1,1,0]=4 3378 B9R0.18 C=C(CSCC)OCOC 62a_100000042856_100000210202 [0,2,0,0,0,0|1,0,0]=3 3379 B9R0.18 C=C(CSCC)OCOC 62a_100000210202_100000042856 [0,2,0,0,0,0|1,0,0]=3 3380 B9R0.18 C=C(CSCF)OCOC 62a_100000042856_100015361967 [0,2,0,0,0,0|1,0,0]=3 3381 B9R0.18 C=C(CSCF)OCOC 62a_100015361967_100000042856 [0,2,0,0,0,0|1,0,0]=3 3382 B9R0.18 C=CCCC(=O)CCSC 1458a_100000174002_100000754431 [0,2,0,0,0,0|1,0,1]=4 3383 B9R0.18 C=CCCC(=O)CCSC 1458a_100000749702_100000751147 [0,2,0,0,0,0|1,0,1]=4 3384 B9R0.18 C=CCCC(=O)COCC 1458a_100000211967_100000754431 [0,2,0,0,0,0|1,0,1]=4 3385 B9R0.18 C=CCCC(=O)CSCC 1458a_100000230394_100000754431 [0,2,0,0,0,0|1,0,1]=4 3386 B9R0.18 C=CCNC(=O)CCSC 1626a_100020586998_100000174002 [0,2,0,0,0,0|1,0,1]=4 3387 B9R0.18 C=CCNC(=O)CCSC 240690a_100020586998_100000174002 [0,2,0,0,0,0|1,0,1]=4 3388 B9R0.18 C=CCNC(=O)CCSC 527a_100020586998_100000174002 [0,2,0,0,0,0|1,0,1]=4 3389 B9R0.18 C=CCNC(=O)CCSC 62a_100011222895_200000210301 [0,2,0,0,0,0|1,0,1]=4 3390 B9R0.18 C=CCNC(=O)CCSC 62a_200000210301_100011222895 [0,2,0,0,0,0|1,0,1]=4 3391 B9R0.18 C=CCNC(=O)CCS[13CH3] 62a_100011222895_200025704644 [0,2,0,0,0,0|1,0,1]=4 3392 B9R0.18 C=CCNC(=O)CCS[13CH3] 62a_200025704644_100011222895 [0,2,0,0,0,0|1,0,1]=4 3393 B9R0.18 C=CCNC(=O)COCC 1626a_100020586998_100000211967 [0,2,0,0,0,0|1,0,1]=4 3394 B9R0.18 C=CCNC(=O)COCC 240690a_100020586998_100000211967 [0,2,0,0,0,0|1,0,1]=4 3395 B9R0.18 C=CCNC(=O)COCC 527a_100020586998_100000211967 [0,2,0,0,0,0|1,0,1]=4 3396 B9R0.18 C=CCNC(=O)CSCC 1626a_100020586998_100000230394 [0,2,0,0,0,0|1,0,1]=4 3397 B9R0.18 C=CCNC(=O)CSCC 240690a_100020586998_100000230394 [0,2,0,0,0,0|1,0,1]=4 3398 B9R0.18 C=CCNC(=O)CSCC 527a_100020586998_100000230394 [0,2,0,0,0,0|1,0,1]=4 3399 B9R0.18 C=CCNC(=O)CSCC 62a_100000183597_100000210202 [0,2,0,0,0,0|1,0,1]=4 3400 B9R0.18 C=CCNC(=O)CSCC 62a_100000210202_100000183597 [0,2,0,0,0,0|1,0,1]=4 3401 B9R0.18 C=CCNC(=O)CSCF 62a_100000183597_100015361967 [0,2,0,0,0,0|1,0,1]=4 3402 B9R0.18 C=CCNC(=O)CSCF 62a_100015361967_100000183597 [0,2,0,0,0,0|1,0,1]=4 3403 B9R0.18 C=CCOC(=O)CNCC 2230a_100015525214_100000033060 [0,2,0,0,0,0|1,0,1]=4 3404 B9R0.18 C=CCOC(=O)COCC 34a_100121572206_100000033060 [0,2,0,0,0,0|0,1,1]=4 3405 B9R0.18 C=CCOC(=O)CSCC 62a_100000033060_100000210202 [0,2,0,0,0,0|0,0,1]=3 3406 B9R0.18 C=CCOC(=O)CSCC 62a_100000210202_100000033060 [0,2,0,0,0,0|0,0,1]=3 3407 B9R0.18 C=CCOC(=O)CSCF 62a_100000033060_100015361967 [0,2,0,0,0,0|0,0,1]=3 3408 B9R0.18 C=CCOC(=O)CSCF 62a_100015361967_100000033060 [0,2,0,0,0,0|0,0,1]=3 3409 B9R0.18 CC#CCC(=O)C#CCC 1458a_100011827653_100000748600 [0,2,0,0,0,0|2,0,0]=4 3410 B9R0.18 CC#CCC(=O)C=CCC 1458a_100000212282_100000748600 [0,2,0,0,0,0|2,0,0]=4 3411 B9R0.18 CC#CCC(=O)CCCC 1458a_100000210183_100000748600 [0,2,0,0,0,0|2,0,0]=4 3412 B9R0.18 CC#CCC(=O)CCOC 1458a_100000749529_100000748600 [0,2,0,0,0,0|2,0,0]=4 3413 B9R0.18 CC#CCC(=O)CCSC 1458a_100000174002_100000748600 [0,2,0,0,0,0|1,0,1]=4 3414 B9R0.18 CC#CCC(=O)COCC 1458a_100000211967_100000748600 [0,2,0,0,0,0|1,0,0]=3 3415 B9R0.18 CC#CCC(=O)CSCC 1458a_100000230394_100000748600 [0,2,0,0,0,0|1,0,1]=4 3416 B9R0.18 CC=CCC(=O)C#CCC 1458a_100011827653_100000070051 [0,2,0,0,0,0|2,0,0]=4 3417 B9R0.18 CC=CCC(=O)C=CCC 1458a_100000212282_100000070051 [0,2,0,0,0,0|2,0,0]=4 3418 B9R0.18 CC=CCC(=O)CCCC 1458a_100000210183_100000070051 [0,2,0,0,0,0|2,0,0]=4 3419 B9R0.18 CC=CCC(=O)CCCC 1458a_100121576822_100000210211 [0,2,0,0,0,0|2,0,0]=4 3420 B9R0.18 CC=CCC(=O)CCCF 1458a_100121576822_100011934791 [0,2,0,0,0,0|2,0,0]=4 3421 B9R0.18 CC=CCC(=O)CCCO 1458a_100121576822_100011215043 [0,2,0,0,0,0|2,0,0]=4 3422 B9R0.18 CC=CCC(=O)CCOC 1458a_100000749529_100000070051 [0,2,0,0,0,0|2,0,0]=4 3423 B9R0.18 CC=CCC(=O)CCOC 1458a_100121576822_100000233755 [0,2,0,0,0,0|2,0,0]=4 3424 B9R0.18 CC=CCC(=O)CCSC 1458a_100000174002_100000070051 [0,2,0,0,0,0|1,0,1]=4 3425 B9R0.18 CC=CCC(=O)CCSC 1458a_100121576822_100000751147 [0,2,0,0,0,0|1,0,1]=4 3426 B9R0.18 CC=CCC(=O)COCC 1458a_100000211967_100000070051 [0,2,0,0,0,0|1,0,0]=3 3427 B9R0.18 CC=CCC(=O)CSCC 1458a_100000230394_100000070051 [0,2,0,0,0,0|1,0,1]=4 3428 B9R0.18 CC=CCC(=O)NCCC 11a_100020643023_100121576822 [0,2,0,0,0,0|2,0,0]=4 3429 B9R0.18 CC=CCC(=O)NCCC 1626a_100020643023_100121576822 [0,2,0,0,0,0|2,0,0]=4 3430 B9R0.18 CC=CCC(=O)NCCC 240690a_100020643023_100121576822 [0,2,0,0,0,0|2,0,0]=4 3431 B9R0.18 CC=CCC(=O)NCCC 527a_100020643023_100121576822 [0,2,0,0,0,0|2,0,0]=4 3432 B9R0.18 CC=CCC(=O)NCCF 11a_100000724931_100121576822 [0,2,0,0,0,0|2,0,0]=4 3433 B9R0.18 CC=CCC(=O)NCCF 1626a_100000724931_100121576822 [0,2,0,0,0,0|2,0,0]=4 3434 B9R0.18 CC=CCC(=O)NCCF 240690a_100000724931_100121576822 [0,2,0,0,0,0|2,0,0]=4 3435 B9R0.18 CC=CCC(=O)NCCF 527a_100000724931_100121576822 [0,2,0,0,0,0|2,0,0]=4 3436 B9R0.18 CC=CCC(=O)NCCO 240690a_100000210304_100121576822 [0,2,0,0,0,0|2,0,0]=4 3437 B9R0.18 CC=CCC(=O)NCCO 527a_100000210304_100121576822 [0,2,0,0,0,0|2,0,0]=4 3438 B9R0.18 CC=CCC(=O)NNCC 22a_100000756455_100121576822 [0,2,0,0,0,0|2,0,0]=4 3439 B9R0.18 CC=NNC(=O)COCC 4a_100000216846_200000210099 [0,2,0,0,0,0|2,0,0]=4 3440 B9R0.18 CCC#CC(=O)CCCC 1458a_100011827653_100000210211 [0,2,0,0,0,0|2,0,0]=4 3441 B9R0.18 CCC#CC(=O)CCCF 1458a_100011827653_100011934791 [0,2,0,0,0,0|2,0,0]=4 3442 B9R0.18 CCC#CC(=O)CCCO 1458a_100011827653_100011215043 [0,2,0,0,0,0|2,0,0]=4 3443 B9R0.18 CCC#CC(=O)CCOC 1458a_100011827653_100000233755 [0,2,0,0,0,0|1,1,0]=4 3444 B9R0.18 CCC#CC(=O)CCSC 1458a_100011827653_100000751147 [0,2,0,0,0,0|1,0,0]=3 3445 B9R0.18 CCC=CC(=O)CCCC 1458a_100000212282_100000210211 [0,2,0,0,0,0|2,0,0]=4 3446 B9R0.18 CCC=CC(=O)CCCF 1458a_100000212282_100011934791 [0,2,0,0,0,0|2,0,0]=4 3447 B9R0.18 CCC=CC(=O)CCCO 1458a_100000212282_100011215043 [0,2,0,0,0,0|2,0,0]=4 3448 B9R0.18 CCC=CC(=O)CCOC 1458a_100000212282_100000233755 [0,2,0,0,0,0|1,1,0]=4 3449 B9R0.18 CCC=CC(=O)CCSC 1458a_100000212282_100000751147 [0,2,0,0,0,0|1,0,0]=3 3450 B9R0.18 CCC=CC(=O)NCCC 11a_100020643023_100000212282 [0,2,0,0,0,0|2,0,0]=4 3451 B9R0.18 CCC=CC(=O)NCCC 1626a_100020643023_100000212282 [0,2,0,0,0,0|2,0,0]=4 3452 B9R0.18 CCC=CC(=O)NCCC 240690a_100020643023_100000212282 [0,2,0,0,0,0|2,0,0]=4 3453 B9R0.18 CCCCC(=O)CCCC 1458a_100000210183_100000210211 [0,2,0,0,0,0|2,0,0]=4 3454 B9R0.18 CCCCC(=O)CCCF 1458a_100000210183_100011934791 [0,2,0,0,0,0|2,0,0]=4 3455 B9R0.18 CCCCC(=O)CCCO 1458a_100000210183_100011215043 [0,2,0,0,0,0|2,0,0]=4 3456 B9R0.18 CCCCC(=O)CCOC 1458a_100000210183_100000233755 [0,2,0,0,0,0|1,1,0]=4 3457 B9R0.18 CCCCC(=O)CCOC 1458a_100000749529_100000210211 [0,2,0,0,0,0|1,1,0]=4 3458 B9R0.18 CCCCC(=O)CCSC 1458a_100000174002_100000210211 [0,2,0,0,0,0|1,0,0]=3 3459 B9R0.18 CCCCC(=O)CCSC 1458a_100000210183_100000751147 [0,2,0,0,0,0|1,0,0]=3 3460 B9R0.18 CCCCC(=O)COCC 1458a_100000211967_100000210211 [0,2,0,0,0,0|1,0,0]=3 3461 B9R0.18 CCCCC(=O)CSCC 1458a_100000230394_100000210211 [0,2,0,0,0,0|1,0,0]=3 3462 B9R0.18 CCCCC(=O)NCCC 11a_100020643023_100000210183 [0,2,0,0,0,0|2,0,0]=4 3463 B9R0.18 CCCCC(=O)NCCC 1626a_100020643023_100000210183 [0,2,0,0,0,0|2,0,0]=4 3464 B9R0.18 CCCCC(=O)NCCC 240690a_100020643023_100000210183 [0,2,0,0,0,0|2,0,0]=4 3465 B9R0.18 CCCCC(=O)NCCC 527a_100020643023_100000210183 [0,2,0,0,0,0|2,0,0]=4 3466 B9R0.18 CCCCC(=O)NCCF 11a_100000724931_100000210183 [0,2,0,0,0,0|2,0,0]=4 3467 B9R0.18 CCCCC(=O)NCCF 1626a_100000724931_100000210183 [0,2,0,0,0,0|2,0,0]=4 3468 B9R0.18 CCCCC(=O)NCCF 240690a_100000724931_100000210183 [0,2,0,0,0,0|2,0,0]=4 3469 B9R0.18 CCCCC(=O)NCCF 527a_100000724931_100000210183 [0,2,0,0,0,0|2,0,0]=4 3470 B9R0.18 CCCCC(=O)NCCO 240690a_100000210304_100000210183 [0,2,0,0,0,0|2,0,0]=4 3471 B9R0.18 CCCCC(=O)NCCO 527a_100000210304_100000210183 [0,2,0,0,0,0|2,0,0]=4 3472 B9R0.18 CCCCC(=O)NNCC 22a_100000756455_100000210183 [0,2,0,0,0,0|2,0,0]=4 3473 B9R0.18 CCCNC(=O)CCOC 11a_100020643023_100000749529 [0,2,0,0,0,0|1,1,0]=4 3474 B9R0.18 CCCNC(=O)CCOC 1626a_100020643023_100000749529 [0,2,0,0,0,0|1,1,0]=4 3475 B9R0.18 CCCNC(=O)CCOC 240690a_100020643023_100000749529 [0,2,0,0,0,0|1,1,0]=4 3476 B9R0.18 CCCNC(=O)CCOC 527a_100020643023_100000749529 [0,2,0,0,0,0|1,1,0]=4 3477 B9R0.18 CCCNC(=O)CCSC 11a_100020643023_100000174002 [0,2,0,0,0,0|1,0,0]=3 3478 B9R0.18 CCCNC(=O)CCSC 1626a_100020643023_100000174002 [0,2,0,0,0,0|1,0,0]=3 3479 B9R0.18 CCCNC(=O)CCSC 240690a_100020643023_100000174002 [0,2,0,0,0,0|1,0,0]=3 3480 B9R0.18 CCCNC(=O)CCSC 527a_100020643023_100000174002 [0,2,0,0,0,0|1,0,0]=3 3481 B9R0.18 CCCNC(=O)CNCC 2230a_100000174927_100000210202 [0,2,0,0,0,0|2,0,0]=4 3482 B9R0.18 CCCNC(=O)CNCC 2230a_100015525214_100000183358 [0,2,0,0,0,0|2,0,0]=4 3483 B9R0.18 CCCNC(=O)COCC 11a_100020643023_100000211967 [0,2,0,0,0,0|1,0,0]=3 3484 B9R0.18 CCCNC(=O)COCC 1626a_100020643023_100000211967 [0,2,0,0,0,0|1,0,0]=3 3485 B9R0.18 CCCNC(=O)COCC 240690a_100020643023_100000211967 [0,2,0,0,0,0|1,0,0]=3 3486 B9R0.18 CCCNC(=O)COCC 34a_100121572206_100000183358 [0,2,0,0,0,0|1,0,0]=3 3487 B9R0.18 CCCNC(=O)COCC 527a_100020643023_100000211967 [0,2,0,0,0,0|1,0,0]=3 3488 B9R0.18 CCCNC(=O)CSCC 11a_100020643023_100000230394 [0,2,0,0,0,0|1,0,0]=3 3489 B9R0.18 CCCNC(=O)CSCC 1626a_100020643023_100000230394 [0,2,0,0,0,0|1,0,0]=3 3490 B9R0.18 CCCNC(=O)CSCC 240690a_100020643023_100000230394 [0,2,0,0,0,0|1,0,0]=3 3491 B9R0.18 CCCNC(=O)CSCC 527a_100020643023_100000230394 [0,2,0,0,0,0|1,0,0]=3 3492 B9R0.18 CCCNC(=O)CSCC 62a_100000183358_100000210202 [0,2,0,0,0,0|1,0,0]=3 3493 B9R0.18 CCCNC(=O)CSCC 62a_100000210202_100000183358 [0,2,0,0,0,0|1,0,0]=3 3494 B9R0.18 CCCNC(=O)CSCF 62a_100000183358_100015361967 [0,2,0,0,0,0|1,0,0]=3 3495 B9R0.18 CCCNC(=O)CSCF 62a_100015361967_100000183358 [0,2,0,0,0,0|1,0,0]=3 3496 B9R0.18 CCCNC(=O)NCCC 2708a_100020643023_100020643023 [0,2,0,0,0,0|2,0,0]=4 3497 B9R0.18 CCCNC(=O)NCCC 273464a_100020643023_100020643023 [0,2,0,0,0,0|2,0,0]=4 3498 B9R0.18 CCCNC(=O)NCCC 512a_100020643023_100020643023 [0,2,0,0,0,0|2,0,0]=4 3499 B9R0.18 CCCNC(=O)NCCF 2708a_100020643023_100000724931 [0,2,0,0,0,0|2,0,0]=4 3500 B9R0.18 CCCNC(=O)NCCF 273464a_100000724931_100020643023 [0,2,0,0,0,0|2,0,0]=4 3501 B9R0.18 CCCNC(=O)NCCF 273464a_100020643023_100000724931 [0,2,0,0,0,0|2,0,0]=4 3502 B9R0.18 CCCNC(=O)NCCF 512a_100020643023_100000724931 [0,2,0,0,0,0|2,0,0]=4 3503 B9R0.18 CCCNC(=O)NCCO 2708a_100020643023_100000210304 [0,2,0,0,0,0|2,0,0]=4 3504 B9R0.18 CCCNC(=O)NCCO 273464a_100000210304_100020643023 [0,2,0,0,0,0|2,0,0]=4 3505 B9R0.18 CCCNC(=O)NCCO 273464a_100020643023_100000210304 [0,2,0,0,0,0|2,0,0]=4 3506 B9R0.18 CCCNC(=O)NCCO 512a_100020643023_100000210304 [0,2,0,0,0,0|2,0,0]=4 3507 B9R0.18 CCCNC(=O)NNCC 273464a_100020643023_100000756455 [0,2,0,0,0,0|2,0,0]=4 3508 B9R0.18 CCCNC(=O)NNCC 512a_100000756455_100020643023 [0,2,0,0,0,0|2,0,0]=4 3509 B9R0.18 CCCNC(=O)NNCC 512a_100020643023_100000756455 [0,2,0,0,0,0|2,0,0]=4 3510 B9R0.18 CCCOC(=O)CNCC 2230a_100015525214_200011215008 [0,2,0,0,0,0|1,0,0]=3 3511 B9R0.18 CCCOC(=O)COCC 34a_100121572206_200011215008 [0,2,0,0,0,0|0,1,0]=3 3512 B9R0.18 CCCOC(=O)CSCC 62a_100000210202_200011215008 [0,2,0,0,0,0|0,0,0]=2 3513 B9R0.18 CCCOC(=O)CSCC 62a_200011215008_100000210202 [0,2,0,0,0,0|0,0,0]=2 3514 B9R0.18 CCCOC(=O)CSCF 62a_100015361967_200011215008 [0,2,0,0,0,0|0,0,0]=2 3515 B9R0.18 CCCOC(=O)CSCF 62a_200011215008_100015361967 [0,2,0,0,0,0|0,0,0]=2 3516 B9R0.18 CCCOC(=O)OCNC 34a_100102657272_200000139673 [0,2,0,0,0,0|1,0,0]=3 3517 B9R0.18 CCCOC(=O)OCNC 7a_106832991635_200000139673 [0,2,0,0,0,0|1,0,0]=3 3518 B9R0.18 CCCOC(=O)OCOC 34a_100138415774_200000139673 [0,2,0,0,0,0|0,1,0]=3 3519 B9R0.18 CCCOC(=O)OCSC 62a_200000210301_200000139673 [0,2,0,0,0,0|0,0,0]=2 3520 B9R0.18 CCCOC(=O)OCS[13CH3] 62a_200025704644_200000139673 [0,2,0,0,0,0|0,0,0]=2 3521 B9R0.18 CCNCC(=O)NCCF 2230a_100000725713_100000210202 [0,2,0,0,0,0|2,0,0]=4 3522 B9R0.18 CCNN=C(C)CCSC 4a_100000756455_100011217047 [0,2,0,0,0,0|2,0,0]=4 3523 B9R0.18 CCNN=C(C)CSCC 4a_100000756455_200011216171 [0,2,0,0,0,0|2,0,0]=4 3524 B9R0.18 CCNNC(=O)CCOC 22a_100000756455_100000749529 [0,2,0,0,0,0|1,1,0]=4 3525 B9R0.18 CCNNC(=O)CCSC 22a_100000756455_100000174002 [0,2,0,0,0,0|1,0,0]=3 3526 B9R0.18 CCNNC(=O)COCC 22a_100000756455_100000211967 [0,2,0,0,0,0|1,1,0]=4 3527 B9R0.18 CCNNC(=O)CSCC 22a_100000756455_100000230394 [0,2,0,0,0,0|1,0,0]=3 3528 B9R0.18 CCOCC(=O)CCC#N 1458a_100000211967_100011215226 [0,2,0,0,0,0|1,0,1]=4 3529 B9R0.18 CCOCC(=O)CCCF 1458a_100000211967_100011934791 [0,2,0,0,0,0|1,0,0]=3 3530 B9R0.18 CCOCC(=O)CCCO 1458a_100000211967_100011215043 [0,2,0,0,0,0|1,0,0]=3 3531 B9R0.18 CCOCC(=O)CCOC 1458a_100000211967_100000233755 [0,2,0,0,0,0|0,1,0]=3 3532 B9R0.18 CCOCC(=O)CCSC 1458a_100000211967_100000751147 [0,2,0,0,0,0|0,0,0]=2 3533 B9R0.18 CCOCC(=O)NCC#N 1626a_100000734998_100000211967 [0,2,0,0,0,0|2,0,0]=4 3534 B9R0.18 CCOCC(=O)NCC#N 527a_100000734998_100000211967 [0,2,0,0,0,0|2,0,0]=4 3535 B9R0.18 CCOCC(=O)NCCF 11a_100000724931_100000211967 [0,2,0,0,0,0|1,1,0]=4 3536 B9R0.18 CCOCC(=O)NCCF 1626a_100000724931_100000211967 [0,2,0,0,0,0|1,1,0]=4 3537 B9R0.18 CCOCC(=O)NCCF 240690a_100000724931_100000211967 [0,2,0,0,0,0|1,1,0]=4 3538 B9R0.18 CCOCC(=O)NCCF 527a_100000724931_100000211967 [0,2,0,0,0,0|1,1,0]=4 3539 B9R0.18 CCOCC(=O)NCCO 240690a_100000210304_100000211967 [0,2,0,0,0,0|1,1,0]=4 3540 B9R0.18 CCOCC(=O)NCCO 527a_100000210304_100000211967 [0,2,0,0,0,0|1,1,0]=4 3541 B9R0.18 CCOCC(C)OCSC 34a_100000718985_100011218213 [0,2,0,0,0,0|1,0,1]=4 3542 B9R0.18 CCOCN(C)CCSC 269982a_100000686725_100000739092 [0,2,0,0,0,0|2,0,0]=4 3543 B9R0.18 CCOC[C@@H](N)CCSC 34a_100011827619_100000210202 [0,2,0,0,0,0|1,0,1]=4 3544 B9R0.18 CCSCC(=O)CCC#N 1458a_100000230394_100011215226 [0,2,0,0,0,0|1,0,1]=4 3545 B9R0.18 CCSCC(=O)CCCF 1458a_100000230394_100011934791 [0,2,0,0,0,0|1,0,0]=3 3546 B9R0.18 CCSCC(=O)CCCO 1458a_100000230394_100011215043 [0,2,0,0,0,0|1,0,0]=3 3547 B9R0.18 CCSCC(=O)CCOC 1458a_100000230394_100000233755 [0,2,0,0,0,0|1,0,0]=3 3548 B9R0.18 CCSCC(=O)CCSC 1458a_100000230394_100000751147 [0,2,0,0,0,0|0,1,0]=3 3549 B9R0.18 CCSCC(=O)NCC#N 1626a_100000734998_100000230394 [0,2,0,0,0,0|1,0,1]=4 3550 B9R0.18 CCSCC(=O)NCC#N 527a_100000734998_100000230394 [0,2,0,0,0,0|1,0,1]=4 3551 B9R0.18 CCSCC(=O)NCC#N 62a_100000210202_100000736037 [0,2,0,0,0,0|1,0,1]=4 3552 B9R0.18 CCSCC(=O)NCC#N 62a_100000736037_100000210202 [0,2,0,0,0,0|1,0,1]=4 3553 B9R0.18 CCSCC(=O)NCCF 11a_100000724931_100000230394 [0,2,0,0,0,0|1,0,0]=3 3554 B9R0.18 CCSCC(=O)NCCF 1626a_100000724931_100000230394 [0,2,0,0,0,0|1,0,0]=3 3555 B9R0.18 CCSCC(=O)NCCF 240690a_100000724931_100000230394 [0,2,0,0,0,0|1,0,0]=3 3556 B9R0.18 CCSCC(=O)NCCF 527a_100000724931_100000230394 [0,2,0,0,0,0|1,0,0]=3 3557 B9R0.18 CCSCC(=O)NCCO 240690a_100000210304_100000230394 [0,2,0,0,0,0|1,0,0]=3 3558 B9R0.18 CCSCC(=O)NCCO 527a_100000210304_100000230394 [0,2,0,0,0,0|1,0,0]=3 3559 B9R0.18 COC=CC(=O)CCSC 1458a_100016268678_100000751147 [0,2,0,0,0,0|1,0,1]=4 3560 B9R0.18 COCCC(=O)CCCF 1458a_100000749529_100011934791 [0,2,0,0,0,0|1,1,0]=4 3561 B9R0.18 COCCC(=O)CCCO 1458a_100000749529_100011215043 [0,2,0,0,0,0|1,1,0]=4 3562 B9R0.18 COCCC(=O)CCOC 1458a_100000749529_100000233755 [0,2,0,0,0,0|1,1,0]=4 3563 B9R0.18 COCCC(=O)CCSC 1458a_100000174002_100000233755 [0,2,0,0,0,0|1,0,0]=3 3564 B9R0.18 COCCC(=O)CCSC 1458a_100000749529_100000751147 [0,2,0,0,0,0|1,0,0]=3 3565 B9R0.18 COCCC(=O)NCCF 11a_100000724931_100000749529 [0,2,0,0,0,0|1,1,0]=4 3566 B9R0.18 COCCC(=O)NCCF 1626a_100000724931_100000749529 [0,2,0,0,0,0|1,1,0]=4 3567 B9R0.18 COCCC(=O)NCCF 240690a_100000724931_100000749529 [0,2,0,0,0,0|1,1,0]=4 3568 B9R0.18 COCCC(=O)NCCF 527a_100000724931_100000749529 [0,2,0,0,0,0|1,1,0]=4 3569 B9R0.18 COCCC(=O)NCCO 240690a_100000210304_100000749529 [0,2,0,0,0,0|1,1,0]=4 3570 B9R0.18 COCCC(=O)NCCO 527a_100000210304_100000749529 [0,2,0,0,0,0|1,1,0]=4 3571 B9R0.18 CSCCC(=O)C#CCO 1458a_100000049017_100000751147 [0,2,0,0,0,0|1,0,1]=4 3572 B9R0.18 CSCCC(=O)CCC#N 1458a_100000174002_100011215226 [0,2,0,0,0,0|1,0,1]=4 3573 B9R0.18 CSCCC(=O)CCC#N 1458a_100011934036_100000751147 [0,2,0,0,0,0|1,0,1]=4 3574 B9R0.18 CSCCC(=O)CCCF 1458a_100000174002_100011934791 [0,2,0,0,0,0|1,0,0]=3 3575 B9R0.18 CSCCC(=O)CCCO 1458a_100000174002_100011215043 [0,2,0,0,0,0|1,0,0]=3 3576 B9R0.18 CSCCC(=O)CCSC 1458a_100000174002_100000751147 [0,2,0,0,0,0|1,0,0]=3 3577 B9R0.18 CSCCC(=O)NCC#N 1626a_100000734998_100000174002 [0,2,0,0,0,0|1,0,1]=4 3578 B9R0.18 CSCCC(=O)NCC#N 527a_100000734998_100000174002 [0,2,0,0,0,0|1,0,1]=4 3579 B9R0.18 CSCCC(=O)NCCF 11a_100000724931_100000174002 [0,2,0,0,0,0|1,0,0]=3 3580 B9R0.18 CSCCC(=O)NCCF 1626a_100000724931_100000174002 [0,2,0,0,0,0|1,0,0]=3 3581 B9R0.18 CSCCC(=O)NCCF 240690a_100000724931_100000174002 [0,2,0,0,0,0|1,0,0]=3 3582 B9R0.18 CSCCC(=O)NCCF 527a_100000724931_100000174002 [0,2,0,0,0,0|1,0,0]=3 3583 B9R0.18 CSCCC(=O)NCCO 240690a_100000210304_100000174002 [0,2,0,0,0,0|1,0,0]=3 3584 B9R0.18 CSCCC(=O)NCCO 527a_100000210304_100000174002 [0,2,0,0,0,0|1,0,0]=3 3585 B9R0.18 N#CCNC(=O)CSCF 62a_100000736037_100015361967 [0,2,0,0,0,0|1,0,1]=4 3586 B9R0.18 N#CCNC(=O)CSCF 62a_100015361967_100000736037 [0,2,0,0,0,0|1,0,1]=4 3587 B9R0.34 C#CC(=O)CC(=O)OCC 1458a_100000211873_100000188475 [0,2,0,0,0,0|1,0,1]=4 3588 B9R0.34 C#CC(C)NC(=O)CCC 11a_100000707721_100000211992 [0,2,0,0,0,0|2,0,0]=4 3589 B9R0.34 C#CC(C)NC(=O)CCC 1626a_100000707721_100000211992 [0,2,0,0,0,0|2,0,0]=4 3590 B9R0.34 C#CC(C)NC(=O)CCC 240690a_100000707721_100000211992 [0,2,0,0,0,0|2,0,0]=4 3591 B9R0.34 C#CC(C)NC(=O)CCC 527a_100000707721_100000211992 [0,2,0,0,0,0|2,0,0]=4 3592 B9R0.34 C#CC(C)NC(=O)COC 11a_100000707721_100000210968 [0,2,0,0,0,0|1,1,0]=4 3593 B9R0.34 C#CC(C)NC(=O)COC 1626a_100000707721_100000210968 [0,2,0,0,0,0|1,1,0]=4 3594 B9R0.34 C#CC(C)NC(=O)COC 240690a_100000707721_100000210968 [0,2,0,0,0,0|1,1,0]=4 3595 B9R0.34 C#CC(C)NC(=O)COC 527a_100000707721_100000210968 [0,2,0,0,0,0|1,1,0]=4 3596 B9R0.34 C#CC(C)NC(=O)CSC 11a_100000707721_100000184570 [0,2,0,0,0,0|1,0,0]=3 3597 B9R0.34 C#CC(C)NC(=O)CSC 1626a_100000707721_100000184570 [0,2,0,0,0,0|1,0,0]=3 3598 B9R0.34 C#CC(C)NC(=O)CSC 240690a_100000707721_100000184570 [0,2,0,0,0,0|1,0,0]=3 3599 B9R0.34 C#CC(C)NC(=O)CSC 527a_100000707721_100000184570 [0,2,0,0,0,0|1,0,0]=3 3600 B9R0.34 C=CC(=O)CC(=O)OCC 1458a_100000185746_100000188475 [0,2,0,0,0,0|1,0,1]=4 3601 B9R0.34 C=CC(C)CC(=O)CCC 1458a_100011934298_100000210303 [0,2,0,0,0,0|2,0,0]=4 3602 B9R0.34 C=CC(C)CC(=O)NCC 11a_100015525214_100011934298 [0,2,0,0,0,0|2,0,0]=4 3603 B9R0.34 C=CC(C)CC(=O)NCC 240690a_100015525214_100011934298 [0,2,0,0,0,0|2,0,0]=4 3604 B9R0.34 C=CC(C)CC(=O)NCC 527a_100015525214_100011934298 [0,2,0,0,0,0|2,0,0]=4 3605 B9R0.34 CCC(=O)CC(=O)COC 1458a_100000210968_100000747405 [0,2,0,0,0,0|1,1,0]=4 3606 B9R0.34 CCC(=O)CC(=O)CSC 1458a_100000184570_100000747405 [0,2,0,0,0,0|1,0,0]=3 3607 B9R0.34 CCC(C)CC(=O)COC 1458a_100000210968_100000748023 [0,2,0,0,0,0|1,1,0]=4 3608 B9R0.34 CCC(C)CC(=O)CSC 1458a_100000184570_100000748023 [0,2,0,0,0,0|1,0,0]=3 3609 B9R0.34 CCC(C)NC(=O)CNC 2230a_106832991635_100000182745 [0,2,0,0,0,0|2,0,0]=4 3610 B9R0.34 CCC(C)NC(=O)CNC 34a_100102657272_100000182745 [0,2,0,0,0,0|2,0,0]=4 3611 B9R0.34 CCC(C)NC(=O)CNC 7a_106832991635_100000182745 [0,2,0,0,0,0|2,0,0]=4 3612 B9R0.34 CCC(C)NC(=O)COC 11a_100000209981_100000210968 [0,2,0,0,0,0|1,1,0]=4 3613 B9R0.34 CCC(C)NC(=O)COC 1626a_100000209981_100000210968 [0,2,0,0,0,0|1,1,0]=4 3614 B9R0.34 CCC(C)NC(=O)COC 240690a_100000209981_100000210968 [0,2,0,0,0,0|1,1,0]=4 3615 B9R0.34 CCC(C)NC(=O)COC 34a_100138415774_100000182745 [0,2,0,0,0,0|1,1,0]=4 3616 B9R0.34 CCC(C)NC(=O)COC 527a_100000209981_100000210968 [0,2,0,0,0,0|1,1,0]=4 3617 B9R0.34 CCC(C)NC(=O)CSC 11a_100000209981_100000184570 [0,2,0,0,0,0|1,0,0]=3 3618 B9R0.34 CCC(C)NC(=O)CSC 1626a_100000209981_100000184570 [0,2,0,0,0,0|1,0,0]=3 3619 B9R0.34 CCC(C)NC(=O)CSC 240690a_100000209981_100000184570 [0,2,0,0,0,0|1,0,0]=3 3620 B9R0.34 CCC(C)NC(=O)CSC 527a_100000209981_100000184570 [0,2,0,0,0,0|1,0,0]=3 3621 B9R0.34 CCC(C)NC(=O)CSC 62a_100000182745_200000210301 [0,2,0,0,0,0|1,0,0]=3 3622 B9R0.34 CCC(C)NC(=O)CSC 62a_200000210301_100000182745 [0,2,0,0,0,0|1,0,0]=3 3623 B9R0.34 CCC(C)NC(=O)CS[13CH3] 62a_100000182745_200025704644 [0,2,0,0,0,0|1,0,0]=3 3624 B9R0.34 CCC(C)NC(=O)CS[13CH3] 62a_200025704644_100000182745 [0,2,0,0,0,0|1,0,0]=3 3625 B9R0.34 CCC(O)CC(=O)COC 1458a_100000210968_100011218378 [0,2,0,0,0,0|1,1,0]=4 3626 B9R0.34 CCC(O)CC(=O)CSC 1458a_100000184570_100011218378 [0,2,0,0,0,0|1,0,0]=3 3627 B9R0.34 CCCC(=O)C=C(C)CC 1458a_100020758463_100000210303 [0,2,0,0,0,0|2,0,0]=4 3628 B9R0.34 CCCC(=O)CC(=O)CC 1458a_100000210414_100000747444 [0,2,0,0,0,0|2,0,0]=4 3629 B9R0.34 CCCC(=O)CC(=O)CC 1458a_100000211992_100000747405 [0,2,0,0,0,0|2,0,0]=4 3630 B9R0.34 CCCC(=O)CC(=O)CO 1458a_100000210174_100000747444 [0,2,0,0,0,0|2,0,0]=4 3631 B9R0.34 CCCC(=O)CC(=O)NC 1458a_100000211992_100000183359 [0,2,0,0,0,0|2,0,0]=4 3632 B9R0.34 CCCC(=O)CC(=O)OC 1458a_100000211351_100000210303 [0,2,0,0,0,0|1,1,0]=4 3633 B9R0.34 CCCC(=O)CC(=O)OC 1458a_100000211992_100000747449 [0,2,0,0,0,0|1,1,0]=4 3634 B9R0.34 CCCC(=O)CC(C)CC 1458a_100000211992_100000748023 [0,2,0,0,0,0|2,0,0]=4 3635 B9R0.34 CCCC(=O)CC(C)CC 1458a_100000708755_100000210303 [0,2,0,0,0,0|2,0,0]=4 3636 B9R0.34 CCCC(=O)CC(O)CC 1458a_100000211992_100011218378 [0,2,0,0,0,0|2,0,0]=4 3637 B9R0.34 CCCC(=O)CC(O)CC 1458a_100011667805_100000210303 [0,2,0,0,0,0|2,0,0]=4 3638 B9R0.34 CCCC(=O)CN(C)CC 1458a_100116209913_100000210303 [0,2,0,0,0,0|2,0,0]=4 3639 B9R0.34 CCCC(=O)CN(C)CC 2230a_100000225621_100000747444 [0,2,0,0,0,0|2,0,0]=4 3640 B9R0.34 CCCC(=O)CN(C)CC 269982a_100000225621_100000747444 [0,2,0,0,0,0|2,0,0]=4 3641 B9R0.34 CCCC(=O)C[C@@H](C)CC 1458a_100000211992_100009816398 [0,2,0,0,0,0|2,0,0]=4 3642 B9R0.34 CCCC(=O)C[C@@H](C)CO 1458a_100000211992_100000059175 [0,2,0,0,0,0|2,0,0]=4 3643 B9R0.34 CCCC(=O)NC(C)C#N 11a_100000737613_100000211992 [0,2,0,0,0,0|2,0,0]=4 3644 B9R0.34 CCCC(=O)NC(C)C#N 1626a_100000737613_100000211992 [0,2,0,0,0,0|2,0,0]=4 3645 B9R0.34 CCCC(=O)NC(C)C#N 527a_100000737613_100000211992 [0,2,0,0,0,0|2,0,0]=4 3646 B9R0.34 CCCC(=O)NC(C)CC 11a_100000209981_100000211992 [0,2,0,0,0,0|2,0,0]=4 3647 B9R0.34 CCCC(=O)NC(C)CC 1626a_100000209981_100000211992 [0,2,0,0,0,0|2,0,0]=4 3648 B9R0.34 CCCC(=O)NC(C)CC 240690a_100000209981_100000211992 [0,2,0,0,0,0|2,0,0]=4 3649 B9R0.34 CCCC(=O)NC(C)CC 527a_100000209981_100000211992 [0,2,0,0,0,0|2,0,0]=4 3650 B9R0.34 CCCC(=O)N[C@H](C)CF 11a_100102880703_100000211992 [0,2,0,0,0,0|2,0,0]=4 3651 B9R0.34 CCCC(=O)N[C@H](C)CF 1626a_100102880703_100000211992 [0,2,0,0,0,0|2,0,0]=4 3652 B9R0.34 CCCC(=O)N[C@H](C)CF 240690a_100102880703_100000211992 [0,2,0,0,0,0|2,0,0]=4 3653 B9R0.34 CCCC(=O)N[C@H](C)CF 527a_100102880703_100000211992 [0,2,0,0,0,0|2,0,0]=4 3654 B9R0.34 CCCC(=O)N[C@H](C)CO 240690a_100000737577_100000211992 [0,2,0,0,0,0|2,0,0]=4 3655 B9R0.34 CCCC(=O)N[C@H](C)CO 527a_100000737577_100000211992 [0,2,0,0,0,0|2,0,0]=4 3656 B9R0.34 CCNC(=O)CC(=O)CC 1458a_100000210414_100000183381 [0,2,0,0,0,0|2,0,0]=4 3657 B9R0.34 CCNC(=O)CC(=O)CO 1458a_100000210174_100000183381 [0,2,0,0,0,0|2,0,0]=4 3658 B9R0.34 CCNC(=O)CC(=O)OC 240690a_100015525214_100000211351 [0,2,0,0,0,0|1,1,0]=4 3659 B9R0.34 CCNC(=O)CC(C)CC 11a_100015525214_100000708755 [0,2,0,0,0,0|2,0,0]=4 3660 B9R0.34 CCNC(=O)CC(C)CC 240690a_100015525214_100000708755 [0,2,0,0,0,0|2,0,0]=4 3661 B9R0.34 CCNC(=O)CC(C)CC 527a_100015525214_100000708755 [0,2,0,0,0,0|2,0,0]=4 3662 B9R0.34 CCNC(=O)CC(O)CC 240690a_100015525214_100011667805 [0,2,0,0,0,0|2,0,0]=4 3663 B9R0.34 CCNC(=O)CN(C)CC 2230a_100000225621_100000183381 [0,2,0,0,0,0|2,0,0]=4 3664 B9R0.34 CCNC(=O)CN(C)CC 2230a_100000741943_100000210202 [0,2,0,0,0,0|2,0,0]=4 3665 B9R0.34 CCNC(=O)CN(C)CC 240690a_100015525214_100116209913 [0,2,0,0,0,0|2,0,0]=4 3666 B9R0.34 CCNC(=O)CN(C)CC 269982a_100000225621_100000183381 [0,2,0,0,0,0|2,0,0]=4 3667 B9R0.34 CCNC(=O)CN(C)CC 269982a_100000741943_100000204670 [0,2,0,0,0,0|2,0,0]=4 3668 B9R0.34 CCNC(=O)CN(C)CC 527a_100015525214_100116209913 [0,2,0,0,0,0|2,0,0]=4 3669 B9R0.34 CCNC(=O)CN(C)CF 269982a_100000741943_100015361967 [0,2,0,0,0,0|2,0,0]=4 3670 B9R0.34 CCNC(=O)NC(C)CC 2708a_100000209981_100015525214 [0,2,0,0,0,0|2,0,0]=4 3671 B9R0.34 CCNC(=O)NC(C)CC 2708a_100015525214_100000209981 [0,2,0,0,0,0|2,0,0]=4 3672 B9R0.34 CCNC(=O)NC(C)CC 273464a_100000209981_100015525214 [0,2,0,0,0,0|2,0,0]=4 3673 B9R0.34 CCNC(=O)NC(C)CC 273464a_100015525214_100000209981 [0,2,0,0,0,0|2,0,0]=4 3674 B9R0.34 CCNC(=O)NC(C)CC 512a_100000209981_100015525214 [0,2,0,0,0,0|2,0,0]=4 3675 B9R0.34 CCNC(=O)NC(C)CC 512a_100015525214_100000209981 [0,2,0,0,0,0|2,0,0]=4 3676 B9R0.34 CCOC(=O)CC(=O)CC 1458a_100000210414_100000188475 [0,2,0,0,0,0|1,0,0]=3 3677 B9R0.34 CCOC(=O)CC(=O)CC 1458a_100000243816_100000210202 [0,2,0,0,0,0|1,0,0]=3 3678 B9R0.34 CCOC(=O)CC(=O)CF 1458a_100000243816_100015361967 [0,2,0,0,0,0|1,0,0]=3 3679 B9R0.34 CCOC(=O)CC(=O)CO 1458a_100000210174_100000188475 [0,2,0,0,0,0|1,0,0]=3 3680 B9R0.34 CCOC(=O)CC(=O)NC 240690a_100102657272_100000243816 [0,2,0,0,0,0|1,0,0]=3 3681 B9R0.34 CCOC(=O)CC(C)NC 2230a_106832991635_100009817359 [0,2,0,0,0,0|1,0,0]=3 3682 B9R0.34 CCOC(=O)CC(C)NC 7a_106832991635_100009817359 [0,2,0,0,0,0|1,0,0]=3 3683 B9R0.34 CCOC(=O)CC(C)SC 62a_100009817359_200000210301 [0,2,0,0,0,0|0,0,0]=2 3684 B9R0.34 CCOC(=O)CC(C)SC 62a_200000210301_100009817359 [0,2,0,0,0,0|0,0,0]=2 3685 B9R0.34 CCOC(=O)CC(C)S[13CH3] 62a_100009817359_200025704644 [0,2,0,0,0,0|0,0,0]=2 3686 B9R0.34 CCOC(=O)CC(C)S[13CH3] 62a_200025704644_100009817359 [0,2,0,0,0,0|0,0,0]=2 3687 B9R0.34 CCOC(=O)CN(C)CC 2230a_100000220588_100000210202 [0,2,0,0,0,0|1,0,0]=3 3688 B9R0.34 CCOC(=O)CN(C)CC 2230a_100000220607_200000210301 [0,2,0,0,0,0|1,0,0]=3 3689 B9R0.34 CCOC(=O)CN(C)CC 2230a_100000225621_100000188475 [0,2,0,0,0,0|1,0,0]=3 3690 B9R0.34 CCOC(=O)CN(C)CC 269982a_100000220607_200000210301 [0,2,0,0,0,0|1,0,0]=3 3691 B9R0.34 CCOC(=O)CN(C)CC 269982a_100000225621_100000188475 [0,2,0,0,0,0|1,0,0]=3 3692 B9R0.34 CCOC(=O)CN([13CH3])CC 2230a_100000220607_200025704644 [0,2,0,0,0,0|1,0,0]=3 3693 B9R0.34 CCOC(=O)CN([13CH3])CC 269982a_100000220607_200025704644 [0,2,0,0,0,0|1,0,0]=3 3694 B9R0.34 CCOC(=O)C[C@@H](C)OC 7a_100009816390_200000210301 [0,2,0,0,0,0|0,1,0]=3 3695 B9R0.34 CCOC(=O)C[C@@H](C)O[13CH3] 7a_100009816390_200025704644 [0,2,0,0,0,0|0,1,0]=3 3696 B9R0.34 CCOC(=O)OC(C)SC 62a_100000036008_200000210301 [0,2,0,0,0,0|0,0,0]=2 3697 B9R0.34 CCOC(=O)OC(C)SC 62a_200000210301_100000036008 [0,2,0,0,0,0|0,0,0]=2 3698 B9R0.34 CCOC(=O)OC(C)S[13CH3] 62a_100000036008_200025704644 [0,2,0,0,0,0|0,0,0]=2 3699 B9R0.34 CCOC(=O)OC(C)S[13CH3] 62a_200025704644_100000036008 [0,2,0,0,0,0|0,0,0]=2 3700 B9R0.34 CC[C@H](C)CC(=O)COC 1458a_100000210968_100009816398 [0,2,0,0,0,0|1,1,0]=4 3701 B9R0.34 CC[C@H](C)CC(=O)CSC 1458a_100000184570_100009816398 [0,2,0,0,0,0|1,0,0]=3 3702 B9R0.34 CNC(=O)CC(=O)CSC 1458a_100000184570_100000183359 [0,2,0,0,0,0|1,0,1]=4 3703 B9R0.34 COC(=O)CC(=O)CSC 1458a_100000184570_100000747449 [0,2,0,0,0,0|1,0,1]=4 3704 B9R0.34 COC(=O)CC(=O)CSC 62a_100000210525_200000210301 [0,2,0,0,0,0|1,0,1]=4 3705 B9R0.34 COC(=O)CC(=O)CSC 62a_200000210301_100000210525 [0,2,0,0,0,0|1,0,1]=4 3706 B9R0.34 COC(=O)CC(=O)CS[13CH3] 62a_100000210525_200025704644 [0,2,0,0,0,0|1,0,1]=4 3707 B9R0.34 COC(=O)CC(=O)CS[13CH3] 62a_200025704644_100000210525 [0,2,0,0,0,0|1,0,1]=4 3708 B9R0.34 COC(=O)NC(=O)CSC 62a_200000210301_100000010850 [0,2,0,0,0,0|1,0,1]=4 3709 B9R0.34 COC(=O)NC(=O)CS[13CH3] 62a_200025704644_100000010850 [0,2,0,0,0,0|1,0,1]=4 3710 B9R0.34 COCC(=O)C[C@@H](C)CO 1458a_100000210968_100000059175 [0,2,0,0,0,0|1,1,0]=4 3711 B9R0.34 COCC(=O)NC(C)C#N 11a_100000737613_100000210968 [0,2,0,0,0,0|1,1,0]=4 3712 B9R0.34 COCC(=O)NC(C)C#N 1626a_100000737613_100000210968 [0,2,0,0,0,0|1,1,0]=4 3713 B9R0.34 COCC(=O)NC(C)C#N 527a_100000737613_100000210968 [0,2,0,0,0,0|1,1,0]=4 3714 B9R0.34 COCC(=O)N[C@H](C)CF 11a_100102880703_100000210968 [0,2,0,0,0,0|1,1,0]=4 3715 B9R0.34 COCC(=O)N[C@H](C)CF 1626a_100102880703_100000210968 [0,2,0,0,0,0|1,1,0]=4 3716 B9R0.34 COCC(=O)N[C@H](C)CF 240690a_100102880703_100000210968 [0,2,0,0,0,0|1,1,0]=4 3717 B9R0.34 COCC(=O)N[C@H](C)CF 527a_100102880703_100000210968 [0,2,0,0,0,0|1,1,0]=4 3718 B9R0.34 COCC(=O)N[C@H](C)CO 240690a_100000737577_100000210968 [0,2,0,0,0,0|1,1,0]=4 3719 B9R0.34 COCC(=O)N[C@H](C)CO 527a_100000737577_100000210968 [0,2,0,0,0,0|1,1,0]=4 3720 B9R0.34 CSCC(=O)C[C@@H](C)CO 1458a_100000184570_100000059175 [0,2,0,0,0,0|1,0,0]=3 3721 B9R0.34 CSCC(=O)NC(C)C#N 11a_100000737613_100000184570 [0,2,0,0,0,0|1,0,0]=3 3722 B9R0.34 CSCC(=O)NC(C)C#N 1626a_100000737613_100000184570 [0,2,0,0,0,0|1,0,0]=3 3723 B9R0.34 CSCC(=O)NC(C)C#N 527a_100000737613_100000184570 [0,2,0,0,0,0|1,0,0]=3 3724 B9R0.34 CSCC(=O)N[C@H](C)CF 11a_100102880703_100000184570 [0,2,0,0,0,0|1,0,0]=3 3725 B9R0.34 CSCC(=O)N[C@H](C)CF 1626a_100102880703_100000184570 [0,2,0,0,0,0|1,0,0]=3 3726 B9R0.34 CSCC(=O)N[C@H](C)CF 240690a_100102880703_100000184570 [0,2,0,0,0,0|1,0,0]=3 3727 B9R0.34 CSCC(=O)N[C@H](C)CF 527a_100102880703_100000184570 [0,2,0,0,0,0|1,0,0]=3 3728 B9R0.34 CSCC(=O)N[C@H](C)CO 240690a_100000737577_100000184570 [0,2,0,0,0,0|1,0,0]=3 3729 B9R0.34 CSCC(=O)N[C@H](C)CO 527a_100000737577_100000184570 [0,2,0,0,0,0|1,0,0]=3 3730 B9R0.35 C#CCC(=O)C(C)OCC 1458a_100000739345_100000184674 [0,2,0,0,0,0|1,0,1]=4 3731 B9R0.35 C#CCN(C)C(=O)CSC 11a_100000225692_100000184570 [0,2,0,0,0,0|1,0,1]=4 3732 B9R0.35 C#CCN(C)C(=O)CSC 1626a_100000225692_100000184570 [0,2,0,0,0,0|1,0,1]=4 3733 B9R0.35 C#CCN(C)C(=O)CSC 527a_100000225692_100000184570 [0,2,0,0,0,0|1,0,1]=4 3734 B9R0.35 C=C(CNC)C(=O)OCC 34a_100102657272_100000755967 [0,2,0,0,0,0|1,0,0]=3 3735 B9R0.35 C=C(CNC)C(=O)OCC 7a_106832991635_100000755967 [0,2,0,0,0,0|1,0,0]=3 3736 B9R0.35 C=C(COC)C(=O)OCC 34a_100138415774_100000755967 [0,2,0,0,0,0|0,1,0]=3 3737 B9R0.35 C=C(CSC)C(=O)OCC 62a_100000755967_200000210301 [0,2,0,0,0,0|0,0,0]=2 3738 B9R0.35 C=C(CSC)C(=O)OCC 62a_200000210301_100000755967 [0,2,0,0,0,0|0,0,0]=2 3739 B9R0.35 C=C(CS[13CH3])C(=O)OCC 62a_100000755967_200025704644 [0,2,0,0,0,0|0,0,0]=2 3740 B9R0.35 C=C(CS[13CH3])C(=O)OCC 62a_200025704644_100000755967 [0,2,0,0,0,0|0,0,0]=2 3741 B9R0.35 C=CCC(=O)C(C)OCC 1458a_100000739345_100000210623 [0,2,0,0,0,0|1,0,1]=4 3742 B9R0.35 C=CCN(C)C(=O)CSC 11a_100000225617_100000184570 [0,2,0,0,0,0|1,0,1]=4 3743 B9R0.35 C=CCN(C)C(=O)CSC 1626a_100000225617_100000184570 [0,2,0,0,0,0|1,0,1]=4 3744 B9R0.35 C=CCN(C)C(=O)CSC 240690a_100000225617_100000184570 [0,2,0,0,0,0|1,0,1]=4 3745 B9R0.35 C=CCN(C)C(=O)CSC 527a_100000225617_100000184570 [0,2,0,0,0,0|1,0,1]=4 3746 B9R0.35 CC/C=C(\C)/C(=O)CCC 1458a_100016988807_100000210303 [0,2,0,0,0,0|2,0,0]=4 3747 B9R0.35 CCCC(=O)C(=O)NCC 1458a_200011297158_100000210303 [0,2,0,0,0,0|2,0,0]=4 3748 B9R0.35 CCCC(=O)C(C)CCC 1458a_100000210906_100000210303 [0,2,0,0,0,0|2,0,0]=4 3749 B9R0.35 CCCC(=O)C(C)CCC 1458a_100000211992_100000766640 [0,2,0,0,0,0|2,0,0]=4 3750 B9R0.35 CCCC(=O)C(C)CCO 1458a_100000211992_100009893172 [0,2,0,0,0,0|2,0,0]=4 3751 B9R0.35 CCCC(=O)C(C)COC 1458a_100000211992_100000765312 [0,2,0,0,0,0|1,1,0]=4 3752 B9R0.35 CCCC(=O)C(C)COC 1458a_100000751857_100000210303 [0,2,0,0,0,0|1,1,0]=4 3753 B9R0.35 CCCC(=O)C(C)CSC 1458a_100000753918_100000210303 [0,2,0,0,0,0|1,0,0]=3 3754 B9R0.35 CCCC(=O)C(C)OCC 1458a_100000739345_100000210303 [0,2,0,0,0,0|1,0,0]=3 3755 B9R0.35 CCCC(=O)C(C)SCC 1458a_100000230601_100000210303 [0,2,0,0,0,0|1,0,0]=3 3756 B9R0.35 CCCC(=O)N(C)CCC 11a_100000747261_100000211992 [0,2,0,0,0,0|2,0,0]=4 3757 B9R0.35 CCCC(=O)N(C)CCC 1626a_100000747261_100000211992 [0,2,0,0,0,0|2,0,0]=4 3758 B9R0.35 CCCC(=O)N(C)CCC 240690a_100000747261_100000211992 [0,2,0,0,0,0|2,0,0]=4 3759 B9R0.35 CCCC(=O)N(C)CCC 527a_100000747261_100000211992 [0,2,0,0,0,0|2,0,0]=4 3760 B9R0.35 CCCC(=O)N(C)CCO 240690a_100000210263_100000211992 [0,2,0,0,0,0|2,0,0]=4 3761 B9R0.35 CCCC(=O)N(C)CCO 527a_100000210263_100000211992 [0,2,0,0,0,0|2,0,0]=4 3762 B9R0.35 CCCC(=O)[C@@H](O)CCC 1458a_100009822183_100000210303 [0,2,0,0,0,0|2,0,0]=4 3763 B9R0.35 CCCC(C)C(=O)COC 1458a_100000210968_100000766640 [0,2,0,0,0,0|1,1,0]=4 3764 B9R0.35 CCCC(C)C(=O)CSC 1458a_100000184570_100000766640 [0,2,0,0,0,0|1,0,0]=3 3765 B9R0.35 CCCC(C)C(=O)NCC 11a_100015525214_100000210906 [0,2,0,0,0,0|2,0,0]=4 3766 B9R0.35 CCCC(C)C(=O)NCC 240690a_100015525214_100000210906 [0,2,0,0,0,0|2,0,0]=4 3767 B9R0.35 CCCC(C)C(=O)NCC 527a_100015525214_100000210906 [0,2,0,0,0,0|2,0,0]=4 3768 B9R0.35 CCCN(C)C(=O)COC 11a_100000747261_100000210968 [0,2,0,0,0,0|1,1,0]=4 3769 B9R0.35 CCCN(C)C(=O)COC 1626a_100000747261_100000210968 [0,2,0,0,0,0|1,1,0]=4 3770 B9R0.35 CCCN(C)C(=O)COC 240690a_100000747261_100000210968 [0,2,0,0,0,0|1,1,0]=4 3771 B9R0.35 CCCN(C)C(=O)COC 527a_100000747261_100000210968 [0,2,0,0,0,0|1,1,0]=4 3772 B9R0.35 CCCN(C)C(=O)CSC 11a_100000747261_100000184570 [0,2,0,0,0,0|1,0,0]=3 3773 B9R0.35 CCCN(C)C(=O)CSC 1626a_100000747261_100000184570 [0,2,0,0,0,0|1,0,0]=3 3774 B9R0.35 CCCN(C)C(=O)CSC 240690a_100000747261_100000184570 [0,2,0,0,0,0|1,0,0]=3 3775 B9R0.35 CCCN(C)C(=O)CSC 527a_100000747261_100000184570 [0,2,0,0,0,0|1,0,0]=3 3776 B9R0.35 CCCN(C)C(=O)NCC 2708a_100015525214_100000747261 [0,2,0,0,0,0|2,0,0]=4 3777 B9R0.35 CCCN(C)C(=O)NCC 273464a_100015525214_100000747261 [0,2,0,0,0,0|2,0,0]=4 3778 B9R0.35 CCC[C@H](O)C(=O)NCC 240690a_100015525214_100009822183 [0,2,0,0,0,0|2,0,0]=4 3779 B9R0.35 CCNC(=O)C(=O)OCC 11a_100015525214_100014798877 [0,2,0,0,0,0|1,0,1]=4 3780 B9R0.35 CCNC(=O)C(=O)OCC 240690a_100015525214_100014798877 [0,2,0,0,0,0|1,0,1]=4 3781 B9R0.35 CCNC(=O)C(C)COC 11a_100015525214_100000751857 [0,2,0,0,0,0|1,1,0]=4 3782 B9R0.35 CCNC(=O)C(C)COC 240690a_100015525214_100000751857 [0,2,0,0,0,0|1,1,0]=4 3783 B9R0.35 CCNC(=O)C(C)COC 527a_100015525214_100000751857 [0,2,0,0,0,0|1,1,0]=4 3784 B9R0.35 CCNC(=O)C(C)CSC 11a_100015525214_100000753918 [0,2,0,0,0,0|1,0,0]=3 3785 B9R0.35 CCNC(=O)C(C)CSC 240690a_100015525214_100000753918 [0,2,0,0,0,0|1,0,0]=3 3786 B9R0.35 CCNC(=O)C(C)CSC 527a_100015525214_100000753918 [0,2,0,0,0,0|1,0,0]=3 3787 B9R0.35 CCNC(=O)C(C)NCC 2230a_100000736553_100000210202 [0,2,0,0,0,0|2,0,0]=4 3788 B9R0.35 CCNC(=O)C(C)NCC 2230a_100015525214_100000230173 [0,2,0,0,0,0|2,0,0]=4 3789 B9R0.35 CCNC(=O)C(C)NCC 34a_100000736553_100000210202 [0,2,0,0,0,0|2,0,0]=4 3790 B9R0.35 CCNC(=O)C(C)NCF 34a_100000736553_100015361967 [0,2,0,0,0,0|2,0,0]=4 3791 B9R0.35 CCNC(=O)C(C)OCC 11a_100015525214_100000739345 [0,2,0,0,0,0|1,1,0]=4 3792 B9R0.35 CCNC(=O)C(C)OCC 240690a_100015525214_100000739345 [0,2,0,0,0,0|1,1,0]=4 3793 B9R0.35 CCNC(=O)C(C)OCC 34a_100121572206_100000230173 [0,2,0,0,0,0|1,1,0]=4 3794 B9R0.35 CCNC(=O)C(C)OCC 527a_100015525214_100000739345 [0,2,0,0,0,0|1,1,0]=4 3795 B9R0.35 CCNC(=O)C(C)SCC 11a_100015525214_100000230601 [0,2,0,0,0,0|1,0,0]=3 3796 B9R0.35 CCNC(=O)C(C)SCC 240690a_100015525214_100000230601 [0,2,0,0,0,0|1,0,0]=3 3797 B9R0.35 CCNC(=O)C(C)SCC 527a_100015525214_100000230601 [0,2,0,0,0,0|1,0,0]=3 3798 B9R0.35 CCNC(=O)C(C)SCC 62a_100000210202_100000230173 [0,2,0,0,0,0|1,0,0]=3 3799 B9R0.35 CCNC(=O)C(C)SCC 62a_100000230173_100000210202 [0,2,0,0,0,0|1,0,0]=3 3800 B9R0.35 CCNC(=O)C(C)SCF 62a_100000230173_100015361967 [0,2,0,0,0,0|1,0,0]=3 3801 B9R0.35 CCNC(=O)C(C)SCF 62a_100015361967_100000230173 [0,2,0,0,0,0|1,0,0]=3 3802 B9R0.35 CCNC(C)C(=O)OCC 2230a_100015525214_100011215307 [0,2,0,0,0,0|1,0,0]=3 3803 B9R0.35 CCNC(F)C(=O)OCC 2230a_100015525214_100000760018 [0,2,0,0,0,0|1,0,0]=3 3804 B9R0.35 CCN[C@@H](C)C(=O)SCC 2230a_100103168634_100000210202 [0,2,0,0,0,0|1,1,0]=4 3805 B9R0.35 CCOC(=O)C(=O)CSC 62a_100000211299_200000210301 [0,2,0,0,0,0|0,0,0]=2 3806 B9R0.35 CCOC(=O)C(=O)CSC 62a_200000210301_100000211299 [0,2,0,0,0,0|0,0,0]=2 3807 B9R0.35 CCOC(=O)C(=O)CS[13CH3] 62a_100000211299_200025704644 [0,2,0,0,0,0|0,0,0]=2 3808 B9R0.35 CCOC(=O)C(=O)CS[13CH3] 62a_200025704644_100000211299 [0,2,0,0,0,0|0,0,0]=2 3809 B9R0.35 CCOC(=O)C(C)OCC 34a_100121572206_100011216346 [0,2,0,0,0,0|0,1,0]=3 3810 B9R0.35 CCOC(=O)C(C)SCC 62a_100000210202_100011216346 [0,2,0,0,0,0|0,0,0]=2 3811 B9R0.35 CCOC(=O)C(C)SCC 62a_100011216346_100000210202 [0,2,0,0,0,0|0,0,0]=2 3812 B9R0.35 CCOC(=O)C(C)SCF 62a_100011216346_100015361967 [0,2,0,0,0,0|0,0,0]=2 3813 B9R0.35 CCOC(=O)C(C)SCF 62a_100015361967_100011216346 [0,2,0,0,0,0|0,0,0]=2 3814 B9R0.35 CCOC(=O)C(F)OCC 34a_100121572206_100000760018 [0,2,0,0,0,0|0,1,0]=3 3815 B9R0.35 CCOC(=O)C(F)SCC 62a_100000210202_100000760018 [0,2,0,0,0,0|0,0,0]=2 3816 B9R0.35 CCOC(=O)C(F)SCC 62a_100000760018_100000210202 [0,2,0,0,0,0|0,0,0]=2 3817 B9R0.35 CCOC(=O)C(F)SCF 62a_100000760018_100015361967 [0,2,0,0,0,0|0,0,0]=2 3818 B9R0.35 CCOC(=O)C(F)SCF 62a_100015361967_100000760018 [0,2,0,0,0,0|0,0,0]=2 3819 B9R0.35 CCOC(=O)[C@H](C)OCC 7a_100000751109_100000210202 [0,2,0,0,0,0|0,1,0]=3 3820 B9R0.35 CCOC(=O)[C@H](C)OCF 7a_100000751109_100015361967 [0,2,0,0,0,0|0,1,0]=3 3821 B9R0.35 CCOC(C)C(=O)CC#N 1458a_100000739345_100011214920 [0,2,0,0,0,0|2,0,0]=4 3822 B9R0.35 CCOC(C)C(=O)CCF 1458a_100000739345_100011217306 [0,2,0,0,0,0|2,0,0]=4 3823 B9R0.35 CCOC(C)C(=O)CCO 1458a_100000739345_100000211926 [0,2,0,0,0,0|2,0,0]=4 3824 B9R0.35 CCOC(C)C(=O)NNC 22a_100016993582_100000739345 [0,2,0,0,0,0|2,0,0]=4 3825 B9R0.35 CCSC(C)C(=O)CCF 1458a_100000230601_100011217306 [0,2,0,0,0,0|2,0,0]=4 3826 B9R0.35 CCSC(C)C(=O)CCO 1458a_100000230601_100000211926 [0,2,0,0,0,0|2,0,0]=4 3827 B9R0.35 CCSC(C)C(=O)NNC 22a_100016993582_100000230601 [0,2,0,0,0,0|2,0,0]=4 3828 B9R0.35 CNNC(=O)C(C)CSC 22a_100016993582_100000753918 [0,2,0,0,0,0|2,0,0]=4 3829 B9R0.35 COCC(=O)C(C)CCO 1458a_100000210968_100009893172 [0,2,0,0,0,0|1,1,0]=4 3830 B9R0.35 COCC(=O)C(C)COC 1458a_100000210968_100000765312 [0,2,0,0,0,0|1,1,0]=4 3831 B9R0.35 COCC(=O)N(C)CCO 240690a_100000210263_100000210968 [0,2,0,0,0,0|1,1,0]=4 3832 B9R0.35 COCC(=O)N(C)CCO 527a_100000210263_100000210968 [0,2,0,0,0,0|1,1,0]=4 3833 B9R0.35 COCC(C)C(=O)CSC 1458a_100000184570_100000765312 [0,2,0,0,0,0|1,0,0]=3 3834 B9R0.35 CSCC(=O)C(C)CC#N 1458a_100000184570_100009813641 [0,2,0,0,0,0|1,0,1]=4 3835 B9R0.35 CSCC(=O)C(C)CCO 1458a_100000184570_100009893172 [0,2,0,0,0,0|1,0,0]=3 3836 B9R0.35 CSCC(=O)N(C)CC#N 11a_100000748184_100000184570 [0,2,0,0,0,0|1,0,1]=4 3837 B9R0.35 CSCC(=O)N(C)CC#N 1626a_100000748184_100000184570 [0,2,0,0,0,0|1,0,1]=4 3838 B9R0.35 CSCC(=O)N(C)CCO 240690a_100000210263_100000184570 [0,2,0,0,0,0|1,0,0]=3 3839 B9R0.35 CSCC(=O)N(C)CCO 527a_100000210263_100000184570 [0,2,0,0,0,0|1,0,0]=3 3840 B9R0.35 CSCC(C)C(=O)CCF 1458a_100000753918_100011217306 [0,2,0,0,0,0|2,0,0]=4 3841 B9R0.35 CSCC(C)C(=O)CCO 1458a_100000753918_100000211926 [0,2,0,0,0,0|2,0,0]=4 3842 B9R0.48 C#CCC(=O)COC(C)C 1458a_100000745533_100000184674 [0,2,0,0,0,0|1,0,1]=4 3843 B9R0.48 C=C(C)CCC(=O)CCC 1458a_100000211992_100000730704 [0,2,0,0,0,0|2,0,0]=4 3844 B9R0.48 C=C(C)CCC(=O)CCC 1458a_200000688413_100000210303 [0,2,0,0,0,0|2,0,0]=4 3845 B9R0.48 C=C(C)CCC(=O)COC 1458a_100000210968_100000730704 [0,2,0,0,0,0|1,1,0]=4 3846 B9R0.48 C=C(C)CCC(=O)CSC 1458a_100000184570_100000730704 [0,2,0,0,0,0|1,0,0]=3 3847 B9R0.48 C=C(C)CCC(=O)NCC 11a_100015525214_200000688413 [0,2,0,0,0,0|2,0,0]=4 3848 B9R0.48 C=C(C)CCC(=O)NCC 240690a_100015525214_200000688413 [0,2,0,0,0,0|2,0,0]=4 3849 B9R0.48 C=C(C)CCC(=O)NCC 527a_100015525214_200000688413 [0,2,0,0,0,0|2,0,0]=4 3850 B9R0.48 C=C(C)CNC(=O)CCC 11a_100000765925_100000211992 [0,2,0,0,0,0|2,0,0]=4 3851 B9R0.48 C=C(C)CNC(=O)CCC 1626a_100000765925_100000211992 [0,2,0,0,0,0|2,0,0]=4 3852 B9R0.48 C=C(C)CNC(=O)CCC 240690a_100000765925_100000211992 [0,2,0,0,0,0|2,0,0]=4 3853 B9R0.48 C=C(C)CNC(=O)CCC 527a_100000765925_100000211992 [0,2,0,0,0,0|2,0,0]=4 3854 B9R0.48 C=C(C)CNC(=O)COC 11a_100000765925_100000210968 [0,2,0,0,0,0|1,1,0]=4 3855 B9R0.48 C=C(C)CNC(=O)COC 1626a_100000765925_100000210968 [0,2,0,0,0,0|1,1,0]=4 3856 B9R0.48 C=C(C)CNC(=O)COC 240690a_100000765925_100000210968 [0,2,0,0,0,0|1,1,0]=4 3857 B9R0.48 C=C(C)CNC(=O)COC 527a_100000765925_100000210968 [0,2,0,0,0,0|1,1,0]=4 3858 B9R0.48 C=C(C)CNC(=O)CSC 11a_100000765925_100000184570 [0,2,0,0,0,0|1,0,0]=3 3859 B9R0.48 C=C(C)CNC(=O)CSC 1626a_100000765925_100000184570 [0,2,0,0,0,0|1,0,0]=3 3860 B9R0.48 C=C(C)CNC(=O)CSC 240690a_100000765925_100000184570 [0,2,0,0,0,0|1,0,0]=3 3861 B9R0.48 C=C(C)CNC(=O)CSC 527a_100000765925_100000184570 [0,2,0,0,0,0|1,0,0]=3 3862 B9R0.48 C=C(C)CNC(=O)NCC 2708a_100000765925_100015525214 [0,2,0,0,0,0|2,0,0]=4 3863 B9R0.48 C=C(C)CNC(=O)NCC 2708a_100015525214_100000765925 [0,2,0,0,0,0|2,0,0]=4 3864 B9R0.48 C=C(C)CNC(=O)NCC 273464a_100000765925_100015525214 [0,2,0,0,0,0|2,0,0]=4 3865 B9R0.48 C=C(C)CNC(=O)NCC 273464a_100015525214_100000765925 [0,2,0,0,0,0|2,0,0]=4 3866 B9R0.48 C=C(C)CNC(=O)NCC 512a_100000765925_100015525214 [0,2,0,0,0,0|2,0,0]=4 3867 B9R0.48 C=C(C)CNC(=O)NCC 512a_100015525214_100000765925 [0,2,0,0,0,0|2,0,0]=4 3868 B9R0.48 C=CCC(=O)COC(C)C 1458a_100000745533_100000210623 [0,2,0,0,0,0|1,0,1]=4 3869 B9R0.48 C=COC(=O)CSC(C)C 62a_100000036128_100000210206 [0,2,0,0,0,0|0,0,2]=4 3870 B9R0.48 C=COC(=O)CSC(C)C 62a_100000210206_100000036128 [0,2,0,0,0,0|0,0,2]=4 3871 B9R0.48 CC(=O)NNC(=O)CS[13CH3] 62a_100000181415_200025704644 [0,2,0,0,0,0|1,0,1]=4 3872 B9R0.48 CC(=O)NNC(=O)CS[13CH3] 62a_200025704644_100000181415 [0,2,0,0,0,0|1,0,1]=4 3873 B9R0.48 CC(=O)OCC(=O)CS[13CH3] 62a_100000036994_200025704644 [0,2,0,0,0,0|0,0,1]=3 3874 B9R0.48 CC(=O)OCC(=O)CS[13CH3] 62a_200025704644_100000036994 [0,2,0,0,0,0|0,0,1]=3 3875 B9R0.48 CC(=O)SCC(=O)CCF 1458a_100000049016_100011217306 [0,2,0,0,0,0|2,0,0]=4 3876 B9R0.48 CC(=O)SCC(=O)CCO 1458a_100000049016_100000211926 [0,2,0,0,0,0|2,0,0]=4 3877 B9R0.48 CC(C)CNC(=O)CS[13CH3] 62a_100000183291_200025704644 [0,2,0,0,0,0|1,0,0]=3 3878 B9R0.48 CC(C)CNC(=O)CS[13CH3] 62a_200025704644_100000183291 [0,2,0,0,0,0|1,0,0]=3 3879 B9R0.48 CC(C)OCC(=O)CC#N 1458a_100000745533_100011214920 [0,2,0,0,0,0|2,0,0]=4 3880 B9R0.48 CC(C)OCC(=O)CCF 1458a_100000745533_100011217306 [0,2,0,0,0,0|2,0,0]=4 3881 B9R0.48 CC(C)OCC(=O)CCO 1458a_100000745533_100000211926 [0,2,0,0,0,0|2,0,0]=4 3882 B9R0.48 CC(C)SCC(=O)CCF 1458a_100000241585_100011217306 [0,2,0,0,0,0|2,0,0]=4 3883 B9R0.48 CC(C)SCC(=O)CCO 1458a_100000241585_100000211926 [0,2,0,0,0,0|2,0,0]=4 3884 B9R0.48 CC(C)SCC(=O)NCO 62a_100000185155_100000210206 [0,2,0,0,0,0|2,0,0]=4 3885 B9R0.48 CC(C)SCC(=O)NCO 62a_100000210206_100000185155 [0,2,0,0,0,0|2,0,0]=4 3886 B9R0.48 CCCC(=O)C=CC(C)C 1458a_100016268746_100000210303 [0,2,0,0,0,0|2,0,0]=4 3887 B9R0.48 CCCC(=O)CC=C(C)C 1458a_100000211992_100000761012 [0,2,0,0,0,0|2,0,0]=4 3888 B9R0.48 CCCC(=O)CC=C(C)C 1458a_100011220947_100000210303 [0,2,0,0,0,0|2,0,0]=4 3889 B9R0.48 CCCC(=O)CCC(C)C 1458a_100000181311_100000210303 [0,2,0,0,0,0|2,0,0]=4 3890 B9R0.48 CCCC(=O)CCC(C)C 1458a_100000211992_100000210312 [0,2,0,0,0,0|2,0,0]=4 3891 B9R0.48 CCCC(=O)CCC(C)O 1458a_100000211992_100012276601 [0,2,0,0,0,0|2,0,0]=4 3892 B9R0.48 CCCC(=O)CC[S+](C)C 1458a_100009452791_100000210303 [0,2,0,0,0,0|1,0,1]=4 3893 B9R0.48 CCCC(=O)CNC(=O)C 1458a_100000194580_100000210303 [0,2,0,0,0,0|2,0,0]=4 3894 B9R0.48 CCCC(=O)CNC(C)C 2230a_100138425928_100000747444 [0,2,0,0,0,0|2,0,0]=4 3895 B9R0.48 CCCC(=O)COC(=O)C 1458a_100000183556_100000210303 [0,2,0,0,0,0|1,0,1]=4 3896 B9R0.48 CCCC(=O)COC(C)C 1458a_100000745533_100000210303 [0,2,0,0,0,0|1,0,0]=3 3897 B9R0.48 CCCC(=O)COC(F)F 1458a_200000719455_100000210303 [0,2,0,0,0,0|1,1,0]=4 3898 B9R0.48 CCCC(=O)CSC(=O)C 1458a_100000049016_100000210303 [0,2,0,0,0,0|1,0,0]=3 3899 B9R0.48 CCCC(=O)CSC(C)C 1458a_100000241585_100000210303 [0,2,0,0,0,0|1,0,0]=3 3900 B9R0.48 CCCC(=O)CSC(C)C 62a_100000210206_100000747444 [0,2,0,0,0,0|1,0,0]=3 3901 B9R0.48 CCCC(=O)CSC(C)C 62a_100000747444_100000210206 [0,2,0,0,0,0|1,0,0]=3 3902 B9R0.48 CCCC(=O)CSC(F)F 1458a_114828291038_100000210303 [0,2,0,0,0,0|1,0,0]=3 3903 B9R0.48 CCCC(=O)NCC(C)C 11a_100000210953_100000211992 [0,2,0,0,0,0|2,0,0]=4 3904 B9R0.48 CCCC(=O)NCC(C)C 1626a_100000210953_100000211992 [0,2,0,0,0,0|2,0,0]=4 3905 B9R0.48 CCCC(=O)NCC(C)C 240690a_100000210953_100000211992 [0,2,0,0,0,0|2,0,0]=4 3906 B9R0.48 CCCC(=O)NCC(C)C 527a_100000210953_100000211992 [0,2,0,0,0,0|2,0,0]=4 3907 B9R0.48 CCCC(=O)NCC(C)O 11a_100000210904_100000211992 [0,2,0,0,0,0|2,0,0]=4 3908 B9R0.48 CCCC(=O)NCC(C)O 240690a_100000210904_100000211992 [0,2,0,0,0,0|2,0,0]=4 3909 B9R0.48 CCCC(=O)NCC(C)O 527a_100000210904_100000211992 [0,2,0,0,0,0|2,0,0]=4 3910 B9R0.48 CCCC(=O)NCC(F)F 11a_100000765723_100000211992 [0,2,0,0,0,0|2,0,0]=4 3911 B9R0.48 CCCC(=O)NCC(F)F 1626a_100000765723_100000211992 [0,2,0,0,0,0|2,0,0]=4 3912 B9R0.48 CCCC(=O)NCC(F)F 240690a_100000765723_100000211992 [0,2,0,0,0,0|2,0,0]=4 3913 B9R0.48 CCCC(=O)NCC(F)F 527a_100000765723_100000211992 [0,2,0,0,0,0|2,0,0]=4 3914 B9R0.48 CCCC(=O)NNC(C)C 22a_100000741168_100000211992 [0,2,0,0,0,0|2,0,0]=4 3915 B9R0.48 CCCC(=O)OCC(=O)C 1458a_100000070787_100000034017 [0,2,0,0,0,0|1,0,0]=3 3916 B9R0.48 CCCC(=O)OCN(C)C 2230a_100102631434_100000034017 [0,2,0,0,0,0|1,0,0]=3 3917 B9R0.48 CCCC(=O)OCN(C)C 269982a_100102631434_100000034017 [0,2,0,0,0,0|1,0,0]=3 3918 B9R0.48 CCNC(=O)CC=C(C)C 11a_100015525214_100011220947 [0,2,0,0,0,0|2,0,0]=4 3919 B9R0.48 CCNC(=O)CC=C(C)C 240690a_100015525214_100011220947 [0,2,0,0,0,0|2,0,0]=4 3920 B9R0.48 CCNC(=O)CC=C(C)C 527a_100015525214_100011220947 [0,2,0,0,0,0|2,0,0]=4 3921 B9R0.48 CCNC(=O)CCC(=O)C 1458a_100000199579_200000210301 [0,2,0,0,0,0|2,0,0]=4 3922 B9R0.48 CCNC(=O)CCC(=O)[13CH3] 1458a_100000199579_200025704644 [0,2,0,0,0,0|2,0,0]=4 3923 B9R0.48 CCNC(=O)CCC(C)C 11a_100015525214_100000181311 [0,2,0,0,0,0|2,0,0]=4 3924 B9R0.48 CCNC(=O)CCC(C)C 240690a_100015525214_100000181311 [0,2,0,0,0,0|2,0,0]=4 3925 B9R0.48 CCNC(=O)CCC(C)C 527a_100015525214_100000181311 [0,2,0,0,0,0|2,0,0]=4 3926 B9R0.48 CCNC(=O)CCN(C)C 11a_100015525214_100000689311 [0,2,0,0,0,0|2,0,0]=4 3927 B9R0.48 CCNC(=O)CCN(C)C 2230a_100102631434_100000737597 [0,2,0,0,0,0|2,0,0]=4 3928 B9R0.48 CCNC(=O)CCN(C)C 240690a_100015525214_100000689311 [0,2,0,0,0,0|2,0,0]=4 3929 B9R0.48 CCNC(=O)CCN(C)C 269982a_100102631434_100000737597 [0,2,0,0,0,0|2,0,0]=4 3930 B9R0.48 CCNC(=O)CCN(C)C 527a_100015525214_100000689311 [0,2,0,0,0,0|2,0,0]=4 3931 B9R0.48 CCNC(=O)CC[S+](C)C 11a_100015525214_100009452791 [0,2,0,0,0,0|1,0,1]=4 3932 B9R0.48 CCNC(=O)CC[S+](C)C 240690a_100015525214_100009452791 [0,2,0,0,0,0|1,0,1]=4 3933 B9R0.48 CCNC(=O)CNC(=O)C 11a_100015525214_100000194580 [0,2,0,0,0,0|2,0,0]=4 3934 B9R0.48 CCNC(=O)CNC(=O)C 11a_100016988866_100015343762 [0,2,0,0,0,0|2,0,0]=4 3935 B9R0.48 CCNC(=O)CNC(=O)C 1626a_100016988866_100015343762 [0,2,0,0,0,0|2,0,0]=4 3936 B9R0.48 CCNC(=O)CNC(=O)C 240690a_100015525214_100000194580 [0,2,0,0,0,0|2,0,0]=4 3937 B9R0.48 CCNC(=O)CNC(=O)C 240690a_100016988866_100015343762 [0,2,0,0,0,0|2,0,0]=4 3938 B9R0.48 CCNC(=O)CNC(=O)C 527a_100015525214_100000194580 [0,2,0,0,0,0|2,0,0]=4 3939 B9R0.48 CCNC(=O)CNC(=O)C 527a_100016988866_100103153847 [0,2,0,0,0,0|2,0,0]=4 3940 B9R0.48 CCNC(=O)CNC(C)C 2230a_100016988866_100000210206 [0,2,0,0,0,0|2,0,0]=4 3941 B9R0.48 CCNC(=O)CNC(C)C 2230a_100138425928_100000183381 [0,2,0,0,0,0|2,0,0]=4 3942 B9R0.48 CCNC(=O)CNC(C)C 34a_100138425928_100000183381 [0,2,0,0,0,0|2,0,0]=4 3943 B9R0.48 CCNC(=O)COC(=O)C 240690a_100015525214_100000183556 [0,2,0,0,0,0|1,1,0]=4 3944 B9R0.48 CCNC(=O)COC(=O)C 527a_100015525214_100000183556 [0,2,0,0,0,0|1,1,0]=4 3945 B9R0.48 CCNC(=O)COC(C)C 11a_100015525214_100000745533 [0,2,0,0,0,0|1,1,0]=4 3946 B9R0.48 CCNC(=O)COC(C)C 240690a_100015525214_100000745533 [0,2,0,0,0,0|1,1,0]=4 3947 B9R0.48 CCNC(=O)COC(C)C 34a_100000212225_100000183381 [0,2,0,0,0,0|1,1,0]=4 3948 B9R0.48 CCNC(=O)COC(C)C 527a_100015525214_100000745533 [0,2,0,0,0,0|1,1,0]=4 3949 B9R0.48 CCNC(=O)COC(F)F 11a_100015525214_200000719455 [0,2,0,0,0,0|1,1,0]=4 3950 B9R0.48 CCNC(=O)COC(F)F 240690a_100015525214_200000719455 [0,2,0,0,0,0|1,1,0]=4 3951 B9R0.48 CCNC(=O)COC(F)F 527a_100015525214_200000719455 [0,2,0,0,0,0|1,1,0]=4 3952 B9R0.48 CCNC(=O)CSC(=O)C 11a_100015525214_100000049016 [0,2,0,0,0,0|1,0,0]=3 3953 B9R0.48 CCNC(=O)CSC(=O)C 240690a_100015525214_100000049016 [0,2,0,0,0,0|1,0,0]=3 3954 B9R0.48 CCNC(=O)CSC(=O)N 240690a_100015525214_200015941356 [0,2,0,0,0,0|1,0,1]=4 3955 B9R0.48 CCNC(=O)CSC(C)C 11a_100015525214_100000241585 [0,2,0,0,0,0|1,0,0]=3 3956 B9R0.48 CCNC(=O)CSC(C)C 240690a_100015525214_100000241585 [0,2,0,0,0,0|1,0,0]=3 3957 B9R0.48 CCNC(=O)CSC(C)C 527a_100015525214_100000241585 [0,2,0,0,0,0|1,0,0]=3 3958 B9R0.48 CCNC(=O)CSC(C)C 62a_100000183381_100000210206 [0,2,0,0,0,0|1,0,0]=3 3959 B9R0.48 CCNC(=O)CSC(C)C 62a_100000210206_100000183381 [0,2,0,0,0,0|1,0,0]=3 3960 B9R0.48 CCNC(=O)CSC(F)F 11a_100015525214_114828291038 [0,2,0,0,0,0|1,0,0]=3 3961 B9R0.48 CCNC(=O)CSC(F)F 240690a_100015525214_114828291038 [0,2,0,0,0,0|1,0,0]=3 3962 B9R0.48 CCNC(=O)CSC(F)F 527a_100015525214_114828291038 [0,2,0,0,0,0|1,0,0]=3 3963 B9R0.48 CCNC(=O)NCC(C)C 2708a_100000210953_100015525214 [0,2,0,0,0,0|2,0,0]=4 3964 B9R0.48 CCNC(=O)NCC(C)C 2708a_100015525214_100000210953 [0,2,0,0,0,0|2,0,0]=4 3965 B9R0.48 CCNC(=O)NCC(C)C 273464a_100000210953_100015525214 [0,2,0,0,0,0|2,0,0]=4 3966 B9R0.48 CCNC(=O)NCC(C)C 273464a_100015525214_100000210953 [0,2,0,0,0,0|2,0,0]=4 3967 B9R0.48 CCNC(=O)NCC(C)C 512a_100000210953_100015525214 [0,2,0,0,0,0|2,0,0]=4 3968 B9R0.48 CCNC(=O)NCC(C)C 512a_100015525214_100000210953 [0,2,0,0,0,0|2,0,0]=4 3969 B9R0.48 CCNC(=O)NCC(C)O 2708a_100015525214_100000210904 [0,2,0,0,0,0|2,0,0]=4 3970 B9R0.48 CCNC(=O)NCC(C)O 273464a_100000210904_100015525214 [0,2,0,0,0,0|2,0,0]=4 3971 B9R0.48 CCNC(=O)NCC(C)O 273464a_100015525214_100000210904 [0,2,0,0,0,0|2,0,0]=4 3972 B9R0.48 CCNC(=O)NCC(C)O 512a_100000210904_100015525214 [0,2,0,0,0,0|2,0,0]=4 3973 B9R0.48 CCNC(=O)NCC(C)O 512a_100015525214_100000210904 [0,2,0,0,0,0|2,0,0]=4 3974 B9R0.48 CCOC(=O)C=CC(=O)C 1458a_100000210415_200000210301 [0,2,0,0,0,0|1,0,1]=4 3975 B9R0.48 CCOC(=O)C=CC(=O)[13CH3] 1458a_100000210415_200025704644 [0,2,0,0,0,0|1,0,1]=4 3976 B9R0.48 CCOC(=O)CCC(=O)C 1458a_100000183558_200000210301 [0,2,0,0,0,0|1,0,0]=3 3977 B9R0.48 CCOC(=O)CCC(=O)[13CH3] 1458a_100000183558_200025704644 [0,2,0,0,0,0|1,0,0]=3 3978 B9R0.48 CCOC(=O)CCN(C)C 2230a_100000745921_200000210301 [0,2,0,0,0,0|1,0,0]=3 3979 B9R0.48 CCOC(=O)CCN(C)C 2230a_100102631434_100011206558 [0,2,0,0,0,0|1,0,0]=3 3980 B9R0.48 CCOC(=O)CCN(C)C 269982a_100000745921_200000210301 [0,2,0,0,0,0|1,0,0]=3 3981 B9R0.48 CCOC(=O)CCN(C)C 269982a_100102631434_100011206558 [0,2,0,0,0,0|1,0,0]=3 3982 B9R0.48 CCOC(=O)CCN(C)[13CH3] 2230a_100000745921_200025704644 [0,2,0,0,0,0|1,0,0]=3 3983 B9R0.48 CCOC(=O)CCN(C)[13CH3] 269982a_100000745921_200025704644 [0,2,0,0,0,0|1,0,0]=3 3984 B9R0.48 CCOC(=O)CNC(=O)C 188690a_100000741813_100015343762 [0,2,0,0,0,0|1,0,0]=3 3985 B9R0.48 CCOC(=O)CNC(C)C 2230a_100138425928_100000188475 [0,2,0,0,0,0|1,0,0]=3 3986 B9R0.48 CCOC(=O)CNC(C)C 34a_100138425928_100000188475 [0,2,0,0,0,0|1,0,0]=3 3987 B9R0.48 CCOC(=O)COC(C)C 34a_100000212225_100000188475 [0,2,0,0,0,0|0,1,0]=3 3988 B9R0.48 CCOC(=O)CSC(C)C 62a_100000188475_100000210206 [0,2,0,0,0,0|0,0,0]=2 3989 B9R0.48 CCOC(=O)CSC(C)C 62a_100000210206_100000188475 [0,2,0,0,0,0|0,0,0]=2 3990 B9R0.48 CCOC(=O)NCC(=O)C 1458a_100000190774_200000210301 [0,2,0,0,0,0|1,0,0]=3 3991 B9R0.48 CCOC(=O)NCC(=O)[13CH3] 1458a_100000190774_200025704644 [0,2,0,0,0,0|1,0,0]=3 3992 B9R0.48 CNCC(=O)COC(=O)C 34a_100102657272_100000036994 [0,2,0,0,0,0|1,0,1]=4 3993 B9R0.48 CNCC(=O)NCC(C)C 2230a_106832991635_100000183291 [0,2,0,0,0,0|2,0,0]=4 3994 B9R0.48 CNCC(=O)NCC(C)C 34a_100102657272_100000183291 [0,2,0,0,0,0|2,0,0]=4 3995 B9R0.48 CNCC(=O)NCC(C)C 7a_106832991635_100000183291 [0,2,0,0,0,0|2,0,0]=4 3996 B9R0.48 CNNC(=O)COC(C)C 22a_100016993582_100000745533 [0,2,0,0,0,0|2,0,0]=4 3997 B9R0.48 CNNC(=O)CSC(C)C 22a_100016993582_100000241585 [0,2,0,0,0,0|2,0,0]=4 3998 B9R0.48 CNNC(=O)CSC(F)F 22a_100016993582_114828291038 [0,2,0,0,0,0|2,0,0]=4 3999 B9R0.48 COCC(=O)CCC(C)C 1458a_100000210968_100000210312 [0,2,0,0,0,0|1,1,0]=4 4000 B9R0.48 COCC(=O)CCC(C)O 1458a_100000210968_100012276601 [0,2,0,0,0,0|1,1,0]=4 4001 B9R0.48 COCC(=O)COC(=O)C 34a_100138415774_100000036994 [0,2,0,0,0,0|0,1,1]=4 4002 B9R0.48 COCC(=O)NCC(C)C 11a_100000210953_100000210968 [0,2,0,0,0,0|1,1,0]=4 4003 B9R0.48 COCC(=O)NCC(C)C 1626a_100000210953_100000210968 [0,2,0,0,0,0|1,1,0]=4 4004 B9R0.48 COCC(=O)NCC(C)C 240690a_100000210953_100000210968 [0,2,0,0,0,0|1,1,0]=4 4005 B9R0.48 COCC(=O)NCC(C)C 34a_100138415774_100000183291 [0,2,0,0,0,0|1,1,0]=4 4006 B9R0.48 COCC(=O)NCC(C)C 527a_100000210953_100000210968 [0,2,0,0,0,0|1,1,0]=4 4007 B9R0.48 COCC(=O)NCC(C)O 11a_100000210904_100000210968 [0,2,0,0,0,0|1,1,0]=4 4008 B9R0.48 COCC(=O)NCC(C)O 240690a_100000210904_100000210968 [0,2,0,0,0,0|1,1,0]=4 4009 B9R0.48 COCC(=O)NCC(C)O 527a_100000210904_100000210968 [0,2,0,0,0,0|1,1,0]=4 4010 B9R0.48 COCC(=O)NCC(F)F 11a_100000765723_100000210968 [0,2,0,0,0,0|1,1,0]=4 4011 B9R0.48 COCC(=O)NCC(F)F 1626a_100000765723_100000210968 [0,2,0,0,0,0|1,1,0]=4 4012 B9R0.48 COCC(=O)NCC(F)F 240690a_100000765723_100000210968 [0,2,0,0,0,0|1,1,0]=4 4013 B9R0.48 COCC(=O)NCC(F)F 527a_100000765723_100000210968 [0,2,0,0,0,0|1,1,0]=4 4014 B9R0.48 COCC(=O)NNC(C)C 22a_100000741168_100000210968 [0,2,0,0,0,0|1,1,0]=4 4015 B9R0.48 CSCC(=NNC(C)C)C 4a_100000741168_100011216314 [0,2,0,0,0,0|2,0,0]=4 4016 B9R0.48 CSCC(=O)CC=C(C)C 1458a_100000184570_100000761012 [0,2,0,0,0,0|1,0,1]=4 4017 B9R0.48 CSCC(=O)CCC(C)C 1458a_100000184570_100000210312 [0,2,0,0,0,0|1,0,0]=3 4018 B9R0.48 CSCC(=O)CCC(C)O 1458a_100000184570_100012276601 [0,2,0,0,0,0|1,0,0]=3 4019 B9R0.48 CSCC(=O)COC(=O)C 62a_100000036994_200000210301 [0,2,0,0,0,0|0,0,1]=3 4020 B9R0.48 CSCC(=O)COC(=O)C 62a_200000210301_100000036994 [0,2,0,0,0,0|0,0,1]=3 4021 B9R0.48 CSCC(=O)NCC(=O)N 11a_100000711301_100000184570 [0,2,0,0,0,0|1,0,1]=4 4022 B9R0.48 CSCC(=O)NCC(=O)N 240690a_100000711301_100000184570 [0,2,0,0,0,0|1,0,1]=4 4023 B9R0.48 CSCC(=O)NCC(=O)N 527a_100000711301_100000184570 [0,2,0,0,0,0|1,0,1]=4 4024 B9R0.48 CSCC(=O)NCC(C)C 11a_100000210953_100000184570 [0,2,0,0,0,0|1,0,0]=3 4025 B9R0.48 CSCC(=O)NCC(C)C 1626a_100000210953_100000184570 [0,2,0,0,0,0|1,0,0]=3 4026 B9R0.48 CSCC(=O)NCC(C)C 240690a_100000210953_100000184570 [0,2,0,0,0,0|1,0,0]=3 4027 B9R0.48 CSCC(=O)NCC(C)C 527a_100000210953_100000184570 [0,2,0,0,0,0|1,0,0]=3 4028 B9R0.48 CSCC(=O)NCC(C)C 62a_100000183291_200000210301 [0,2,0,0,0,0|1,0,0]=3 4029 B9R0.48 CSCC(=O)NCC(C)C 62a_200000210301_100000183291 [0,2,0,0,0,0|1,0,0]=3 4030 B9R0.48 CSCC(=O)NCC(C)O 11a_100000210904_100000184570 [0,2,0,0,0,0|1,0,0]=3 4031 B9R0.48 CSCC(=O)NCC(C)O 240690a_100000210904_100000184570 [0,2,0,0,0,0|1,0,0]=3 4032 B9R0.48 CSCC(=O)NCC(C)O 527a_100000210904_100000184570 [0,2,0,0,0,0|1,0,0]=3 4033 B9R0.48 CSCC(=O)NCC(F)F 11a_100000765723_100000184570 [0,2,0,0,0,0|1,0,0]=3 4034 B9R0.48 CSCC(=O)NCC(F)F 1626a_100000765723_100000184570 [0,2,0,0,0,0|1,0,0]=3 4035 B9R0.48 CSCC(=O)NCC(F)F 240690a_100000765723_100000184570 [0,2,0,0,0,0|1,0,0]=3 4036 B9R0.48 CSCC(=O)NCC(F)F 527a_100000765723_100000184570 [0,2,0,0,0,0|1,0,0]=3 4037 B9R0.48 CSCC(=O)NNC(=O)C 22a_100000189765_100000184570 [0,2,0,0,0,0|1,0,1]=4 4038 B9R0.48 CSCC(=O)NNC(=O)C 62a_100000181415_200000210301 [0,2,0,0,0,0|1,0,1]=4 4039 B9R0.48 CSCC(=O)NNC(=O)C 62a_200000210301_100000181415 [0,2,0,0,0,0|1,0,1]=4 4040 B9R0.48 CSCC(=O)NNC(C)C 22a_100000741168_100000184570 [0,2,0,0,0,0|1,0,0]=3 4041 B9R0.48 O=C(CCF)CSC(F)F 1458a_114828291038_100011217306 [0,2,0,0,0,0|2,0,0]=4 4042 B9R0.48 O=C(CCO)CSC(F)F 1458a_114828291038_100000211926 [0,2,0,0,0,0|2,0,0]=4 4043 B9R0.66 CCO[Si](C)(C)CSCC 62a_100000210202_200000065227 [0,2,0,0,0,0|1,1,0]=4 4044 B9R0.66 CCO[Si](C)(C)CSCC 62a_200000065227_100000210202 [0,2,0,0,0,0|1,1,0]=4 4045 B9R0.66 CCO[Si](C)(C)CSCF 62a_100015361967_200000065227 [0,2,0,0,0,0|1,1,0]=4 4046 B9R0.66 CCO[Si](C)(C)CSCF 62a_200000065227_100015361967 [0,2,0,0,0,0|1,1,0]=4 4047 B9R0.6 CC(C)N(C)C(=O)CS[13CH3] 62a_100000230190_200025704644 [0,2,0,0,0,0|1,0,0]=3 4048 B9R0.6 CC(C)N(C)C(=O)CS[13CH3] 62a_200025704644_100000230190 [0,2,0,0,0,0|1,0,0]=3 4049 B9R0.6 CCCC(=O)C(C)C(=O)C 1458a_100000211992_100000179758 [0,2,0,0,0,0|2,0,0]=4 4050 B9R0.6 CCCC(=O)C(C)C(C)C 1458a_100000755409_100000210303 [0,2,0,0,0,0|2,0,0]=4 4051 B9R0.6 CCCC(=O)N(C)C(C)C 11a_200000211004_100000211992 [0,2,0,0,0,0|2,0,0]=4 4052 B9R0.6 CCCC(=O)N(C)C(C)C 1626a_200000211004_100000211992 [0,2,0,0,0,0|2,0,0]=4 4053 B9R0.6 CCCC(=O)N(C)C(C)C 240690a_200000211004_100000211992 [0,2,0,0,0,0|2,0,0]=4 4054 B9R0.6 CCCC(=O)N(C)C(C)C 527a_200000211004_100000211992 [0,2,0,0,0,0|2,0,0]=4 4055 B9R0.6 CCCC(=O)[C@H](C)N(C)C 1458a_100009822176_100000210303 [0,2,0,0,0,0|2,0,0]=4 4056 B9R0.6 CCCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000210303 [0,2,0,0,0,0|2,0,0]=4 4057 B9R0.6 CCNC(=O)C(C)C(=O)C 1458a_100000070787_100000230173 [0,2,0,0,0,0|2,0,0]=4 4058 B9R0.6 CCNC(=O)C(C)C(C)C 11a_100015525214_100000755409 [0,2,0,0,0,0|2,0,0]=4 4059 B9R0.6 CCNC(=O)C(C)C(C)C 240690a_100015525214_100000755409 [0,2,0,0,0,0|2,0,0]=4 4060 B9R0.6 CCNC(=O)C(C)C(C)C 527a_100015525214_100000755409 [0,2,0,0,0,0|2,0,0]=4 4061 B9R0.6 CCNC(=O)C(C)N(C)C 2230a_100102631434_100000230173 [0,2,0,0,0,0|2,0,0]=4 4062 B9R0.6 CCNC(=O)C(C)N(C)C 269982a_100102631434_100000230173 [0,2,0,0,0,0|2,0,0]=4 4063 B9R0.6 CCNC(=O)[C@H](C)N(C)C 240690a_100015525214_100009822176 [0,2,0,0,0,0|2,0,0]=4 4064 B9R0.6 CCNC(=O)[C@H](C)N(C)C 527a_100015525214_100009822176 [0,2,0,0,0,0|2,0,0]=4 4065 B9R0.6 CCNC(=O)[C@H](O)C(C)C 240690a_100015525214_100000691806 [0,2,0,0,0,0|2,0,0]=4 4066 B9R0.6 CCOC(=O)C(=O)N(C)C 11a_100102631434_100014798877 [0,2,0,0,0,0|1,0,1]=4 4067 B9R0.6 CCOC(=O)C(=O)N(C)C 1626a_100102631434_100014798877 [0,2,0,0,0,0|1,0,1]=4 4068 B9R0.6 CCOC(=O)C(=O)N(C)C 240690a_100102631434_100014798877 [0,2,0,0,0,0|1,0,1]=4 4069 B9R0.6 CCOC(=O)C(C)C(=O)C 1458a_100000070787_100011216346 [0,2,0,0,0,0|1,0,0]=3 4070 B9R0.6 CCOC(=O)C(C)C(=O)C 1458a_100132301724_200000210301 [0,2,0,0,0,0|1,0,0]=3 4071 B9R0.6 CCOC(=O)C(C)C(=O)[13CH3] 1458a_100132301724_200025704644 [0,2,0,0,0,0|1,0,0]=3 4072 B9R0.6 CCOC(=O)C(C)N(C)C 2230a_100102631434_100011215307 [0,2,0,0,0,0|1,0,0]=3 4073 B9R0.6 CCOC(=O)C(C)N(C)C 269982a_100102631434_100011216346 [0,2,0,0,0,0|1,0,0]=3 4074 B9R0.6 CCOC(=O)C(F)C(=O)C 1458a_100000070787_100000760018 [0,2,0,0,0,0|1,0,0]=3 4075 B9R0.6 CCOC(=O)C(F)N(C)C 2230a_100102631434_100000760018 [0,2,0,0,0,0|1,0,0]=3 4076 B9R0.6 CCOC(=O)C(F)N(C)C 269982a_100102631434_100000760018 [0,2,0,0,0,0|1,0,0]=3 4077 B9R0.6 CNCC(=O)N(C)C(C)C 2230a_106832991635_100000230190 [0,2,0,0,0,0|2,0,0]=4 4078 B9R0.6 CNCC(=O)N(C)C(C)C 34a_100102657272_100000230190 [0,2,0,0,0,0|2,0,0]=4 4079 B9R0.6 CNCC(=O)N(C)C(C)C 7a_106832991635_100000230190 [0,2,0,0,0,0|2,0,0]=4 4080 B9R0.6 COCC(=O)N(C)C(C)C 11a_200000211004_100000210968 [0,2,0,0,0,0|1,1,0]=4 4081 B9R0.6 COCC(=O)N(C)C(C)C 1626a_200000211004_100000210968 [0,2,0,0,0,0|1,1,0]=4 4082 B9R0.6 COCC(=O)N(C)C(C)C 240690a_200000211004_100000210968 [0,2,0,0,0,0|1,1,0]=4 4083 B9R0.6 COCC(=O)N(C)C(C)C 34a_100138415774_100000230190 [0,2,0,0,0,0|1,1,0]=4 4084 B9R0.6 COCC(=O)N(C)C(C)C 527a_200000211004_100000210968 [0,2,0,0,0,0|1,1,0]=4 4085 B9R0.6 CSCC(=O)C(C)C(=O)C 1458a_100000184570_100000179758 [0,2,0,0,0,0|1,0,1]=4 4086 B9R0.6 CSCC(=O)N(C)C(C)C 11a_200000211004_100000184570 [0,2,0,0,0,0|1,0,0]=3 4087 B9R0.6 CSCC(=O)N(C)C(C)C 1626a_200000211004_100000184570 [0,2,0,0,0,0|1,0,0]=3 4088 B9R0.6 CSCC(=O)N(C)C(C)C 240690a_200000211004_100000184570 [0,2,0,0,0,0|1,0,0]=3 4089 B9R0.6 CSCC(=O)N(C)C(C)C 527a_200000211004_100000184570 [0,2,0,0,0,0|1,0,0]=3 4090 B9R0.6 CSCC(=O)N(C)C(C)C 62a_100000230190_200000210301 [0,2,0,0,0,0|1,0,0]=3 4091 B9R0.6 CSCC(=O)N(C)C(C)C 62a_200000210301_100000230190 [0,2,0,0,0,0|1,0,0]=3 4092 B9R0.19 CCCC(=O)C(C)(C)CC 1458a_100000749717_100000210303 [0,2,0,0,0,0|2,0,0]=4 4093 B9R0.19 CCCC(=O)C(C)(C)OC 1458a_100000753492_100000210303 [0,2,0,0,0,0|1,1,0]=4 4094 B9R0.19 CCCC(=O)C(C)(O)CC 1458a_100011219770_100000210303 [0,2,0,0,0,0|2,0,0]=4 4095 B9R0.19 CCCC(=O)C(F)(F)CC 1458a_100000061896_100000210303 [0,2,0,0,0,0|2,0,0]=4 4096 B9R0.19 CCNC(=O)C(C)(C)CC 11a_100015525214_100000749717 [0,2,0,0,0,0|2,0,0]=4 4097 B9R0.19 CCNC(=O)C(C)(C)CC 240690a_100015525214_100000749717 [0,2,0,0,0,0|2,0,0]=4 4098 B9R0.19 CCNC(=O)C(C)(C)CC 527a_100015525214_100000749717 [0,2,0,0,0,0|2,0,0]=4 4099 B9R0.19 CCNC(=O)C(C)(C)OC 11a_100015525214_100000753492 [0,2,0,0,0,0|1,1,0]=4 4100 B9R0.19 CCNC(=O)C(C)(C)OC 240690a_100015525214_100000753492 [0,2,0,0,0,0|1,1,0]=4 4101 B9R0.19 CCNC(=O)C(C)(C)OC 527a_100015525214_100000753492 [0,2,0,0,0,0|1,1,0]=4 4102 B9R0.19 CCNC(=O)C(C)(O)CC 240690a_100015525214_100011219770 [0,2,0,0,0,0|2,0,0]=4 4103 B9R0.19 CCNC(=O)C(F)(F)CC 11a_100015525214_100000061896 [0,2,0,0,0,0|2,0,0]=4 4104 B9R0.19 CCNC(=O)C(F)(F)CC 240690a_100015525214_100000061896 [0,2,0,0,0,0|2,0,0]=4 4105 B9R0.19 CCNC(=O)C(F)(F)CC 527a_100015525214_100000061896 [0,2,0,0,0,0|2,0,0]=4 4106 B9R0.19 CCOC(=O)C(C)(C)NC 2230a_106832991635_100011216345 [0,2,0,0,0,0|1,0,0]=3 4107 B9R0.19 CCOC(=O)C(C)(C)NC 7a_106832991635_100011216345 [0,2,0,0,0,0|1,0,0]=3 4108 B9R0.19 CCOC(=O)C(C)(C)OC 34a_100000686869_200000210301 [0,2,0,0,0,0|0,1,0]=3 4109 B9R0.19 CCOC(=O)C(C)(C)OC 7a_100000686869_200000210301 [0,2,0,0,0,0|0,1,0]=3 4110 B9R0.19 CCOC(=O)C(C)(C)O[13CH3] 34a_100000686869_200025704644 [0,2,0,0,0,0|0,1,0]=3 4111 B9R0.19 CCOC(=O)C(C)(C)O[13CH3] 7a_100000686869_200025704644 [0,2,0,0,0,0|0,1,0]=3 4112 B9R0.19 CCOC(=O)C(C)(C)SC 62a_100011216345_200000210301 [0,2,0,0,0,0|0,0,0]=2 4113 B9R0.19 CCOC(=O)C(C)(C)SC 62a_200000210301_100011216345 [0,2,0,0,0,0|0,0,0]=2 4114 B9R0.19 CCOC(=O)C(C)(C)S[13CH3] 62a_100011216345_200025704644 [0,2,0,0,0,0|0,0,0]=2 4115 B9R0.19 CCOC(=O)C(C)(C)S[13CH3] 62a_200025704644_100011216345 [0,2,0,0,0,0|0,0,0]=2 4116 B9R0.19 CCOC(=O)C(F)(F)NC 34a_100102657272_100000210910 [0,2,0,0,0,0|1,0,0]=3 4117 B9R0.19 CCOC(=O)C(F)(F)NC 7a_106832991635_100000210910 [0,2,0,0,0,0|1,0,0]=3 4118 B9R0.19 CCOC(=O)C(F)(F)OC 34a_100138415774_100000210910 [0,2,0,0,0,0|0,1,0]=3 4119 B9R0.19 CCOC(=O)C(F)(F)SC 62a_100000210910_200000210301 [0,2,0,0,0,0|0,0,0]=2 4120 B9R0.19 CCOC(=O)C(F)(F)SC 62a_200000210301_100000210910 [0,2,0,0,0,0|0,0,0]=2 4121 B9R0.19 CCOC(=O)C(F)(F)S[13CH3] 62a_100000210910_200025704644 [0,2,0,0,0,0|0,0,0]=2 4122 B9R0.19 CCOC(=O)C(F)(F)S[13CH3] 62a_200025704644_100000210910 [0,2,0,0,0,0|0,0,0]=2 4123 B9R0.23 C=C(C)CC(=O)C(C)CC 1458a_100011192722_100000748629 [0,2,0,0,0,0|2,0,0]=4 4124 B9R0.23 C=C(C)CC(=O)C(C)SC 1458a_100000149566_100000748629 [0,2,0,0,0,0|1,0,1]=4 4125 B9R0.23 C=C(C)CC(=O)C(O)CC 1458a_100011196387_100000748629 [0,2,0,0,0,0|2,0,0]=4 4126 B9R0.23 CC(C)NC(=O)C(C)N[13CH3] 2230a_100015205314_200025704644 [0,2,0,0,0,0|2,0,0]=4 4127 B9R0.23 CC(C)NC(=O)C(C)N[13CH3] 34a_100015205314_200025704644 [0,2,0,0,0,0|2,0,0]=4 4128 B9R0.23 CC(C)NC(=O)C(C)S[13CH3] 62a_100000195394_200025704644 [0,2,0,0,0,0|1,0,0]=3 4129 B9R0.23 CC(C)NC(=O)C(C)S[13CH3] 62a_200025704644_100000195394 [0,2,0,0,0,0|1,0,0]=3 4130 B9R0.23 CC(C)OC(=O)[C@@H](C)O[13CH3] 34a_100015307928_200025704644 [0,2,0,0,0,0|0,1,0]=3 4131 B9R0.23 CC(C)OC(=O)[C@@H](C)O[13CH3] 7a_100015307928_200025704644 [0,2,0,0,0,0|0,1,0]=3 4132 B9R0.23 CCC(C)C(=O)CC(C)C 1458a_100000210554_100000758301 [0,2,0,0,0,0|2,0,0]=4 4133 B9R0.23 CCC(C)C(=O)CC(C)C 1458a_100011192722_100000210624 [0,2,0,0,0,0|2,0,0]=4 4134 B9R0.23 CCC(C)C(=O)CC(C)O 1458a_100011192722_100011218427 [0,2,0,0,0,0|2,0,0]=4 4135 B9R0.23 CCC(C)C(=O)CN(C)C 1458a_100000750896_100000758301 [0,2,0,0,0,0|2,0,0]=4 4136 B9R0.23 CCC(C)C(=O)C[C@@H](C)O 1458a_100011933948_100000758301 [0,2,0,0,0,0|2,0,0]=4 4137 B9R0.23 CCC(C)C(=O)C[S+](C)C 1458a_200159257847_100000758301 [0,2,0,0,0,0|1,0,1]=4 4138 B9R0.23 CCC(C)C(=O)NC(C)C 11a_100138425928_100011192722 [0,2,0,0,0,0|2,0,0]=4 4139 B9R0.23 CCC(C)C(=O)NC(C)C 1626a_100138425928_100011192722 [0,2,0,0,0,0|2,0,0]=4 4140 B9R0.23 CCC(C)C(=O)NC(C)C 240690a_100138425928_100011192722 [0,2,0,0,0,0|2,0,0]=4 4141 B9R0.23 CCC(C)C(=O)NC(C)C 527a_100138425928_100011192722 [0,2,0,0,0,0|2,0,0]=4 4142 B9R0.23 CCC(O)C(=O)CC(C)C 1458a_100011196387_100000210624 [0,2,0,0,0,0|2,0,0]=4 4143 B9R0.23 CCC(O)C(=O)CC(C)O 1458a_100011196387_100011218427 [0,2,0,0,0,0|2,0,0]=4 4144 B9R0.23 CCC(O)C(=O)NC(C)C 240690a_100138425928_100011196387 [0,2,0,0,0,0|2,0,0]=4 4145 B9R0.23 CCN(C)C(=O)CC(=O)C 1458a_100000070787_100011894763 [0,2,0,0,0,0|2,0,0]=4 4146 B9R0.23 CCN(C)C(=O)CC(C)C 11a_100000225621_100000210554 [0,2,0,0,0,0|2,0,0]=4 4147 B9R0.23 CCN(C)C(=O)CC(C)C 1626a_100000225621_100000210554 [0,2,0,0,0,0|2,0,0]=4 4148 B9R0.23 CCN(C)C(=O)CC(C)C 240690a_100000225621_100000210554 [0,2,0,0,0,0|2,0,0]=4 4149 B9R0.23 CCN(C)C(=O)CC(C)C 527a_100000225621_100000210554 [0,2,0,0,0,0|2,0,0]=4 4150 B9R0.23 CCN(C)C(=O)CN(C)C 11a_100000225621_100000750896 [0,2,0,0,0,0|2,0,0]=4 4151 B9R0.23 CCN(C)C(=O)CN(C)C 2230a_100102631434_100000738999 [0,2,0,0,0,0|2,0,0]=4 4152 B9R0.23 CCN(C)C(=O)CN(C)C 240690a_100000225621_100000750896 [0,2,0,0,0,0|2,0,0]=4 4153 B9R0.23 CCN(C)C(=O)CN(C)C 269982a_100102631434_100000738999 [0,2,0,0,0,0|2,0,0]=4 4154 B9R0.23 CCN(C)C(=O)CN(C)C 527a_100000225621_100000750896 [0,2,0,0,0,0|2,0,0]=4 4155 B9R0.23 CCN(C)C(=O)C[C@@H](C)O 240690a_100000225621_100011933948 [0,2,0,0,0,0|2,0,0]=4 4156 B9R0.23 CCN(C)C(=O)C[S+](C)C 11a_100000225621_200159257847 [0,2,0,0,0,0|1,0,1]=4 4157 B9R0.23 CCN(C)C(=O)C[S+](C)C 1626a_100000225621_200159257847 [0,2,0,0,0,0|1,0,1]=4 4158 B9R0.23 CCN(C)C(=O)C[S+](C)C 240690a_100000225621_200159257847 [0,2,0,0,0,0|1,0,1]=4 4159 B9R0.23 CCN(C)C(=O)C[S+](C)C 527a_100000225621_200159257847 [0,2,0,0,0,0|1,0,1]=4 4160 B9R0.23 CNC(C)C(=O)NC(C)C 2230a_100015205314_200000210301 [0,2,0,0,0,0|2,0,0]=4 4161 B9R0.23 CNC(C)C(=O)NC(C)C 2230a_106832991635_100000195394 [0,2,0,0,0,0|2,0,0]=4 4162 B9R0.23 CNC(C)C(=O)NC(C)C 34a_100015205314_200000210301 [0,2,0,0,0,0|2,0,0]=4 4163 B9R0.23 CNC(C)C(=O)NC(C)C 34a_100102657272_100000195394 [0,2,0,0,0,0|2,0,0]=4 4164 B9R0.23 CNC(C)C(=O)NC(C)C 7a_106832991635_100000195394 [0,2,0,0,0,0|2,0,0]=4 4165 B9R0.23 COC(C)C(=O)CC(C)C 1458a_100000743197_100000210624 [0,2,0,0,0,0|1,1,0]=4 4166 B9R0.23 COC(C)C(=O)CC(C)O 1458a_100000743197_100011218427 [0,2,0,0,0,0|1,1,0]=4 4167 B9R0.23 COC(C)C(=O)NC(C)C 11a_100138425928_100000743197 [0,2,0,0,0,0|1,1,0]=4 4168 B9R0.23 COC(C)C(=O)NC(C)C 1626a_100138425928_100000743197 [0,2,0,0,0,0|1,1,0]=4 4169 B9R0.23 COC(C)C(=O)NC(C)C 240690a_100138425928_100000743197 [0,2,0,0,0,0|1,1,0]=4 4170 B9R0.23 COC(C)C(=O)NC(C)C 34a_100138415774_100000195394 [0,2,0,0,0,0|1,1,0]=4 4171 B9R0.23 COC(C)C(=O)NC(C)C 527a_100138425928_100000743197 [0,2,0,0,0,0|1,1,0]=4 4172 B9R0.23 CO[C@H](C)C(=O)OC(C)C 34a_100015307928_200000210301 [0,2,0,0,0,0|0,1,0]=3 4173 B9R0.23 CO[C@H](C)C(=O)OC(C)C 7a_100015307928_200000210301 [0,2,0,0,0,0|0,1,0]=3 4174 B9R0.23 CSC(C)C(=O)CC(C)C 1458a_100000149566_100000210624 [0,2,0,0,0,0|1,0,0]=3 4175 B9R0.23 CSC(C)C(=O)CC(C)O 1458a_100000149566_100011218427 [0,2,0,0,0,0|1,0,0]=3 4176 B9R0.23 CSC(C)C(=O)CC(F)F 1458a_100000149566_100011934356 [0,2,0,0,0,0|2,0,0]=4 4177 B9R0.23 CSC(C)C(=O)NC(C)C 11a_100138425928_100000149566 [0,2,0,0,0,0|1,0,0]=3 4178 B9R0.23 CSC(C)C(=O)NC(C)C 1626a_100138425928_100000149566 [0,2,0,0,0,0|1,0,0]=3 4179 B9R0.23 CSC(C)C(=O)NC(C)C 240690a_100138425928_100000149566 [0,2,0,0,0,0|1,0,0]=3 4180 B9R0.23 CSC(C)C(=O)NC(C)C 527a_100138425928_100000149566 [0,2,0,0,0,0|1,0,0]=3 4181 B9R0.23 CSC(C)C(=O)NC(C)C 62a_100000195394_200000210301 [0,2,0,0,0,0|1,0,0]=3 4182 B9R0.23 CSC(C)C(=O)NC(C)C 62a_200000210301_100000195394 [0,2,0,0,0,0|1,0,0]=3 4183 B9R0.27 CCC(C)C(=O)C(C)CC 1458a_100011192722_100000758301 [0,2,0,0,0,0|2,0,0]=4 4184 B9R0.27 CCC(C)C(=O)C(C)OC 1458a_100000743197_100000758301 [0,2,0,0,0,0|1,1,0]=4 4185 B9R0.27 CCC(C)C(=O)C(C)SC 1458a_100000149566_100000758301 [0,2,0,0,0,0|1,0,0]=3 4186 B9R0.27 CCC(C)C(=O)C(O)CC 1458a_100011196387_100000758301 [0,2,0,0,0,0|2,0,0]=4 4187 B9R0.27 CCC(C)C(=O)N(C)CC 11a_100000225621_100011192722 [0,2,0,0,0,0|2,0,0]=4 4188 B9R0.27 CCC(C)C(=O)N(C)CC 1626a_100000225621_100011192722 [0,2,0,0,0,0|2,0,0]=4 4189 B9R0.27 CCC(C)C(=O)N(C)CC 240690a_100000225621_100011192722 [0,2,0,0,0,0|2,0,0]=4 4190 B9R0.27 CCC(C)C(=O)N(C)CC 527a_100000225621_100011192722 [0,2,0,0,0,0|2,0,0]=4 4191 B9R0.27 CCC(O)C(=O)N(C)CC 240690a_100000225621_100011196387 [0,2,0,0,0,0|2,0,0]=4 4192 B9R0.27 CCN(C)C(=O)C(C)NC 2230a_106832991635_200012002205 [0,2,0,0,0,0|2,0,0]=4 4193 B9R0.27 CCN(C)C(=O)C(C)NC 34a_100102657272_200012002205 [0,2,0,0,0,0|2,0,0]=4 4194 B9R0.27 CCN(C)C(=O)C(C)NC 7a_106832991635_200012002205 [0,2,0,0,0,0|2,0,0]=4 4195 B9R0.27 CCN(C)C(=O)C(C)OC 11a_100000225621_100000743197 [0,2,0,0,0,0|1,1,0]=4 4196 B9R0.27 CCN(C)C(=O)C(C)OC 1626a_100000225621_100000743197 [0,2,0,0,0,0|1,1,0]=4 4197 B9R0.27 CCN(C)C(=O)C(C)OC 240690a_100000225621_100000743197 [0,2,0,0,0,0|1,1,0]=4 4198 B9R0.27 CCN(C)C(=O)C(C)OC 34a_100138415774_200012002205 [0,2,0,0,0,0|1,1,0]=4 4199 B9R0.27 CCN(C)C(=O)C(C)OC 527a_100000225621_100000743197 [0,2,0,0,0,0|1,1,0]=4 4200 B9R0.27 CCN(C)C(=O)C(C)SC 11a_100000225621_100000149566 [0,2,0,0,0,0|1,0,0]=3 4201 B9R0.27 CCN(C)C(=O)C(C)SC 1626a_100000225621_100000149566 [0,2,0,0,0,0|1,0,0]=3 4202 B9R0.27 CCN(C)C(=O)C(C)SC 240690a_100000225621_100000149566 [0,2,0,0,0,0|1,0,0]=3 4203 B9R0.27 CCN(C)C(=O)C(C)SC 527a_100000225621_100000149566 [0,2,0,0,0,0|1,0,0]=3 4204 B9R0.27 CCN(C)C(=O)C(C)SC 62a_200000210301_200012002205 [0,2,0,0,0,0|1,0,0]=3 4205 B9R0.27 CCN(C)C(=O)C(C)SC 62a_200012002205_200000210301 [0,2,0,0,0,0|1,0,0]=3 4206 B9R0.27 CCN(C)C(=O)C(C)S[13CH3] 62a_200012002205_200025704644 [0,2,0,0,0,0|1,0,0]=3 4207 B9R0.27 CCN(C)C(=O)C(C)S[13CH3] 62a_200025704644_200012002205 [0,2,0,0,0,0|1,0,0]=3 4208 B9R0.27 COC(=O)C(=O)C(C)SC 62a_100000692041_200000210301 [0,2,0,0,0,0|2,0,0]=4 4209 B9R0.27 COC(=O)C(=O)C(C)SC 62a_200000210301_100000692041 [0,2,0,0,0,0|2,0,0]=4 4210 B9R0.27 COC(=O)C(=O)C(C)S[13CH3] 62a_100000692041_200025704644 [0,2,0,0,0,0|2,0,0]=4 4211 B9R0.27 COC(=O)C(=O)C(C)S[13CH3] 62a_200025704644_100000692041 [0,2,0,0,0,0|2,0,0]=4 4212 B9R0.37 CCC(CC)C(=O)COC 1458a_100000210968_100000210505 [0,2,0,0,0,0|1,1,0]=4 4213 B9R0.37 CCC(CC)C(=O)CSC 1458a_100000184570_100000210505 [0,2,0,0,0,0|1,0,0]=3 4214 B9R0.37 CCCC(=O)C(CC)CC 1458a_100000211163_100000210303 [0,2,0,0,0,0|2,0,0]=4 4215 B9R0.37 CCCC(=O)C(CC)CC 1458a_100000211992_100000210505 [0,2,0,0,0,0|2,0,0]=4 4216 B9R0.37 CCCC(=O)C(CC)OC 1458a_100000747056_100000210303 [0,2,0,0,0,0|1,1,0]=4 4217 B9R0.37 CCCC(=O)C(OC)OC 1458a_100000046285_100000210303 [0,2,0,0,0,0|1,1,0]=4 4218 B9R0.37 CCCC(=O)N(CC)CC 11a_100000724800_100000211992 [0,2,0,0,0,0|2,0,0]=4 4219 B9R0.37 CCCC(=O)N(CC)CC 1626a_100000724800_100000211992 [0,2,0,0,0,0|2,0,0]=4 4220 B9R0.37 CCCC(=O)N(CC)CC 240690a_100000724800_100000211992 [0,2,0,0,0,0|2,0,0]=4 4221 B9R0.37 CCCC(=O)N(CC)CC 527a_100000724800_100000211992 [0,2,0,0,0,0|2,0,0]=4 4222 B9R0.37 CCN(CC)C(=O)CNC 2230a_100000174916_200000210301 [0,2,0,0,0,0|2,0,0]=4 4223 B9R0.37 CCN(CC)C(=O)CNC 2230a_106832991635_100000211521 [0,2,0,0,0,0|2,0,0]=4 4224 B9R0.37 CCN(CC)C(=O)CNC 34a_100102657272_100000211521 [0,2,0,0,0,0|2,0,0]=4 4225 B9R0.37 CCN(CC)C(=O)CNC 7a_106832991635_100000211521 [0,2,0,0,0,0|2,0,0]=4 4226 B9R0.37 CCN(CC)C(=O)CN[13CH3] 2230a_100000174916_200025704644 [0,2,0,0,0,0|2,0,0]=4 4227 B9R0.37 CCN(CC)C(=O)COC 11a_100000724800_100000210968 [0,2,0,0,0,0|1,1,0]=4 4228 B9R0.37 CCN(CC)C(=O)COC 1626a_100000724800_100000210968 [0,2,0,0,0,0|1,1,0]=4 4229 B9R0.37 CCN(CC)C(=O)COC 240690a_100000724800_100000210968 [0,2,0,0,0,0|1,1,0]=4 4230 B9R0.37 CCN(CC)C(=O)COC 34a_100138415774_100000211521 [0,2,0,0,0,0|1,1,0]=4 4231 B9R0.37 CCN(CC)C(=O)COC 527a_100000724800_100000210968 [0,2,0,0,0,0|1,1,0]=4 4232 B9R0.37 CCN(CC)C(=O)COC 7a_200000238847_200000210301 [0,2,0,0,0,0|1,1,0]=4 4233 B9R0.37 CCN(CC)C(=O)CO[13CH3] 7a_200000238847_200025704644 [0,2,0,0,0,0|1,1,0]=4 4234 B9R0.37 CCN(CC)C(=O)CSC 11a_100000724800_100000184570 [0,2,0,0,0,0|1,0,0]=3 4235 B9R0.37 CCN(CC)C(=O)CSC 1626a_100000724800_100000184570 [0,2,0,0,0,0|1,0,0]=3 4236 B9R0.37 CCN(CC)C(=O)CSC 240690a_100000724800_100000184570 [0,2,0,0,0,0|1,0,0]=3 4237 B9R0.37 CCN(CC)C(=O)CSC 527a_100000724800_100000184570 [0,2,0,0,0,0|1,0,0]=3 4238 B9R0.37 CCN(CC)C(=O)CSC 62a_100000211521_200000210301 [0,2,0,0,0,0|1,0,0]=3 4239 B9R0.37 CCN(CC)C(=O)CSC 62a_200000210301_100000211521 [0,2,0,0,0,0|1,0,0]=3 4240 B9R0.37 CCN(CC)C(=O)CS[13CH3] 62a_100000211521_200025704644 [0,2,0,0,0,0|1,0,0]=3 4241 B9R0.37 CCN(CC)C(=O)CS[13CH3] 62a_200025704644_100000211521 [0,2,0,0,0,0|1,0,0]=3 4242 B9R0.37 CCNC(=O)C(CC)CC 11a_100015525214_100000211163 [0,2,0,0,0,0|2,0,0]=4 4243 B9R0.37 CCNC(=O)C(CC)CC 240690a_100015525214_100000211163 [0,2,0,0,0,0|2,0,0]=4 4244 B9R0.37 CCNC(=O)C(CC)CC 527a_100015525214_100000211163 [0,2,0,0,0,0|2,0,0]=4 4245 B9R0.37 CCNC(=O)C(CC)OC 11a_100015525214_100000747056 [0,2,0,0,0,0|1,1,0]=4 4246 B9R0.37 CCNC(=O)C(CC)OC 240690a_100015525214_100000747056 [0,2,0,0,0,0|1,1,0]=4 4247 B9R0.37 CCNC(=O)C(CC)OC 527a_100015525214_100000747056 [0,2,0,0,0,0|1,1,0]=4 4248 B9R0.37 CCNC(=O)C(OC)OC 11a_100015525214_100000046285 [0,2,0,0,0,0|1,1,0]=4 4249 B9R0.37 CCNC(=O)C(OC)OC 240690a_100015525214_100000046285 [0,2,0,0,0,0|1,1,0]=4 4250 B9R0.37 CCNC(=O)C(OC)OC 527a_100015525214_100000046285 [0,2,0,0,0,0|1,1,0]=4 4251 B9R0.37 CCOC(=O)C(C=O)SC 62a_100000053139_200000210301 [0,2,0,0,0,0|0,0,0]=2 4252 B9R0.37 CCOC(=O)C(C=O)SC 62a_200000210301_100000053139 [0,2,0,0,0,0|0,0,0]=2 4253 B9R0.37 CCOC(=O)C(C=O)S[13CH3] 62a_100000053139_200025704644 [0,2,0,0,0,0|0,0,0]=2 4254 B9R0.37 CCOC(=O)C(C=O)S[13CH3] 62a_200025704644_100000053139 [0,2,0,0,0,0|0,0,0]=2 4255 B9R0.37 CCOC(=O)C(CC)NC 2230a_106832991635_100000212269 [0,2,0,0,0,0|1,0,0]=3 4256 B9R0.37 CCOC(=O)C(CC)NC 34a_100102657272_100000212269 [0,2,0,0,0,0|1,0,0]=3 4257 B9R0.37 CCOC(=O)C(CC)NC 7a_106832991635_100000212269 [0,2,0,0,0,0|1,0,0]=3 4258 B9R0.37 CCOC(=O)C(CC)OC 34a_100011216719_200000210301 [0,2,0,0,0,0|0,1,0]=3 4259 B9R0.37 CCOC(=O)C(CC)OC 34a_100138415774_100000212269 [0,2,0,0,0,0|0,1,0]=3 4260 B9R0.37 CCOC(=O)C(CC)OC 7a_100011216719_200000210301 [0,2,0,0,0,0|0,1,0]=3 4261 B9R0.37 CCOC(=O)C(CC)O[13CH3] 34a_100011216719_200025704644 [0,2,0,0,0,0|0,1,0]=3 4262 B9R0.37 CCOC(=O)C(CC)O[13CH3] 7a_100011216719_200025704644 [0,2,0,0,0,0|0,1,0]=3 4263 B9R0.37 CCOC(=O)C(CC)SC 62a_100000212269_200000210301 [0,2,0,0,0,0|0,0,0]=2 4264 B9R0.37 CCOC(=O)C(CC)SC 62a_200000210301_100000212269 [0,2,0,0,0,0|0,0,0]=2 4265 B9R0.37 CCOC(=O)C(CC)S[13CH3] 62a_100000212269_200025704644 [0,2,0,0,0,0|0,0,0]=2 4266 B9R0.37 CCOC(=O)C(CC)S[13CH3] 62a_200025704644_100000212269 [0,2,0,0,0,0|0,0,0]=2 4267 B9R0.37 CCOC(=O)C(NC)SC 34a_100102657272_100009893047 [0,2,0,0,0,0|0,0,0]=2 4268 B9R0.37 CCOC(=O)C(OC)SC 34a_100138415774_100009893047 [0,2,0,0,0,0|0,0,0]=2 4269 B9R0.37 CCOC(=O)C(SC)SC 62a_100009893047_200000210301 [0,2,0,0,0,0|0,0,0]=2 4270 B9R0.37 CCOC(=O)C(SC)SC 62a_200000210301_100009893047 [0,2,0,0,0,0|0,0,0]=2 4271 B9R0.37 CCOC(=O)C(SC)S[13CH3] 62a_100009893047_200025704644 [0,2,0,0,0,0|0,0,0]=2 4272 B9R0.37 CCOC(=O)C(SC)S[13CH3] 62a_200025704644_100009893047 [0,2,0,0,0,0|0,0,0]=2 4273 B9R0.60 CCOC(F)(F)C(F)SC 62a_100000036135_200000210301 [0,2,0,0,0,0|1,0,1]=4 4274 B9R0.60 CCOC(F)(F)C(F)SC 62a_200000210301_100000036135 [0,2,0,0,0,0|1,0,1]=4 4275 B9R0.60 CCOC(F)(F)C(F)S[13CH3] 62a_100000036135_200025704644 [0,2,0,0,0,0|1,0,1]=4 4276 B9R0.60 CCOC(F)(F)C(F)S[13CH3] 62a_200025704644_100000036135 [0,2,0,0,0,0|1,0,1]=4 4277 B9R0.44 CC(C)(C)NC(=O)CN[13CH3] 2230a_100000174917_200025704644 [0,2,0,0,0,0|2,0,0]=4 4278 B9R0.44 CC(C)(C)NC(=O)CN[13CH3] 34a_100000174917_200025704644 [0,2,0,0,0,0|2,0,0]=4 4279 B9R0.44 CC(C)(C)NC(=O)CS[13CH3] 62a_100000182746_200025704644 [0,2,0,0,0,0|1,0,0]=3 4280 B9R0.44 CC(C)(C)NC(=O)CS[13CH3] 62a_200025704644_100000182746 [0,2,0,0,0,0|1,0,0]=3 4281 B9R0.44 CC(C)(C)OC(=O)CO[13CH3] 34a_100000752683_200025704644 [0,2,0,0,0,0|0,1,0]=3 4282 B9R0.44 CC(C)(C)OC(=O)CS[13CH3] 62a_100000183872_200025704644 [0,2,0,0,0,0|0,0,0]=2 4283 B9R0.44 CC(C)(C)OC(=O)CS[13CH3] 62a_200025704644_100000183872 [0,2,0,0,0,0|0,0,0]=2 4284 B9R0.44 CCCC(=O)CC(C)(C)C 1458a_100000211214_100000210303 [0,2,0,0,0,0|2,0,0]=4 4285 B9R0.44 CCCC(=O)CC(C)(C)O 1458a_100000693243_100000210303 [0,2,0,0,0,0|2,0,0]=4 4286 B9R0.44 CCCC(=O)CS(=O)(=O)C 1458a_100000744497_100000210303 [0,2,0,0,0,0|1,0,1]=4 4287 B9R0.44 CCCC(=O)C[N+](C)(C)C 1458a_100000033712_100000210303 [0,2,0,0,0,0|2,0,0]=4 4288 B9R0.44 CCCC(=O)C[Si](C)(C)C 1458a_100000211992_100000233785 [0,2,0,0,0,0|2,0,0]=4 4289 B9R0.44 CCCC(=O)C[Si](C)(C)C 1458a_100011218504_100000210303 [0,2,0,0,0,0|2,0,0]=4 4290 B9R0.44 CCCC(=O)NC(C)(C)C 11a_100000715429_100000211992 [0,2,0,0,0,0|2,0,0]=4 4291 B9R0.44 CCCC(=O)NC(C)(C)C 1626a_100000715429_100000211992 [0,2,0,0,0,0|2,0,0]=4 4292 B9R0.44 CCCC(=O)NC(C)(C)C 240690a_100000715429_100000211992 [0,2,0,0,0,0|2,0,0]=4 4293 B9R0.44 CCCC(=O)NC(C)(C)C 527a_100000715429_100000211992 [0,2,0,0,0,0|2,0,0]=4 4294 B9R0.44 CCNC(=O)CC(C)(C)C 11a_100015525214_100000211214 [0,2,0,0,0,0|2,0,0]=4 4295 B9R0.44 CCNC(=O)CC(C)(C)C 240690a_100015525214_100000211214 [0,2,0,0,0,0|2,0,0]=4 4296 B9R0.44 CCNC(=O)CC(C)(C)C 527a_100015525214_100000211214 [0,2,0,0,0,0|2,0,0]=4 4297 B9R0.44 CCNC(=O)CC(C)(C)O 527a_100015525214_100000693243 [0,2,0,0,0,0|2,0,0]=4 4298 B9R0.44 CCNC(=O)CS(=O)(=O)C 11a_100015525214_100000744497 [0,2,0,0,0,0|1,0,1]=4 4299 B9R0.44 CCNC(=O)CS(=O)(=O)C 240690a_100015525214_100000744497 [0,2,0,0,0,0|1,0,1]=4 4300 B9R0.44 CCNC(=O)CS(=O)(=O)C 527a_100015525214_100000744497 [0,2,0,0,0,0|1,0,1]=4 4301 B9R0.44 CCNC(=O)C[N+](C)(C)C 11a_100015525214_100000033712 [0,2,0,0,0,0|2,0,0]=4 4302 B9R0.44 CCNC(=O)C[N+](C)(C)C 240690a_100015525214_100000033712 [0,2,0,0,0,0|2,0,0]=4 4303 B9R0.44 CCNC(=O)C[N+](C)(C)C 527a_100015525214_100000033712 [0,2,0,0,0,0|2,0,0]=4 4304 B9R0.44 CCNC(=O)C[Si](C)(C)C 11a_100015525214_100011218504 [0,2,0,0,0,0|2,0,0]=4 4305 B9R0.44 CNCC(=O)NC(C)(C)C 2230a_100000174917_200000210301 [0,2,0,0,0,0|2,0,0]=4 4306 B9R0.44 CNCC(=O)NC(C)(C)C 2230a_106832991635_100000182746 [0,2,0,0,0,0|2,0,0]=4 4307 B9R0.44 CNCC(=O)NC(C)(C)C 34a_100000174917_200000210301 [0,2,0,0,0,0|2,0,0]=4 4308 B9R0.44 CNCC(=O)NC(C)(C)C 34a_100102657272_100000182746 [0,2,0,0,0,0|2,0,0]=4 4309 B9R0.44 CNCC(=O)NC(C)(C)C 7a_106832991635_100000182746 [0,2,0,0,0,0|2,0,0]=4 4310 B9R0.44 CNCC(=O)OC(C)(C)C 2230a_106832991635_100000183872 [0,2,0,0,0,0|1,0,0]=3 4311 B9R0.44 CNCC(=O)OC(C)(C)C 34a_100102657272_100000183872 [0,2,0,0,0,0|1,0,0]=3 4312 B9R0.44 CNCC(=O)OC(C)(C)C 7a_106832991635_100000183872 [0,2,0,0,0,0|1,0,0]=3 4313 B9R0.44 CNCC(=O)O[Si](C)(C)C 2230a_106832991635_200009813336 [0,2,0,0,0,0|1,1,0]=4 4314 B9R0.44 CNCC(=O)O[Si](C)(C)C 34a_100102657272_200009813336 [0,2,0,0,0,0|1,1,0]=4 4315 B9R0.44 CNCC(=O)O[Si](C)(C)C 7a_106832991635_200009813336 [0,2,0,0,0,0|1,1,0]=4 4316 B9R0.44 COCC(=O)NC(C)(C)C 11a_100000715429_100000210968 [0,2,0,0,0,0|1,1,0]=4 4317 B9R0.44 COCC(=O)NC(C)(C)C 1626a_100000715429_100000210968 [0,2,0,0,0,0|1,1,0]=4 4318 B9R0.44 COCC(=O)NC(C)(C)C 240690a_100000715429_100000210968 [0,2,0,0,0,0|1,1,0]=4 4319 B9R0.44 COCC(=O)NC(C)(C)C 34a_100138415774_100000182746 [0,2,0,0,0,0|1,1,0]=4 4320 B9R0.44 COCC(=O)NC(C)(C)C 527a_100000715429_100000210968 [0,2,0,0,0,0|1,1,0]=4 4321 B9R0.44 COCC(=O)OC(C)(C)C 34a_100000752683_200000210301 [0,2,0,0,0,0|0,1,0]=3 4322 B9R0.44 COCC(=O)OC(C)(C)C 34a_100138415774_100000183872 [0,2,0,0,0,0|0,1,0]=3 4323 B9R0.44 COCC(=O)O[Si](C)(C)C 34a_100138415774_200009813336 [0,2,0,0,0,0|0,2,0]=4 4324 B9R0.44 CS(=O)(=O)NC(=O)CS[13CH3] 62a_100009907230_200025704644 [0,2,0,0,0,0|2,0,0]=4 4325 B9R0.44 CS(=O)(=O)NC(=O)CS[13CH3] 62a_200025704644_100009907230 [0,2,0,0,0,0|2,0,0]=4 4326 B9R0.44 CSCC(=O)C[Si](C)(C)C 1458a_100000184570_100000233785 [0,2,0,0,0,0|1,1,0]=4 4327 B9R0.44 CSCC(=O)NC(C)(C)C 11a_100000715429_100000184570 [0,2,0,0,0,0|1,0,0]=3 4328 B9R0.44 CSCC(=O)NC(C)(C)C 1626a_100000715429_100000184570 [0,2,0,0,0,0|1,0,0]=3 4329 B9R0.44 CSCC(=O)NC(C)(C)C 240690a_100000715429_100000184570 [0,2,0,0,0,0|1,0,0]=3 4330 B9R0.44 CSCC(=O)NC(C)(C)C 527a_100000715429_100000184570 [0,2,0,0,0,0|1,0,0]=3 4331 B9R0.44 CSCC(=O)NC(C)(C)C 62a_100000182746_200000210301 [0,2,0,0,0,0|1,0,0]=3 4332 B9R0.44 CSCC(=O)NC(C)(C)C 62a_200000210301_100000182746 [0,2,0,0,0,0|1,0,0]=3 4333 B9R0.44 CSCC(=O)NS(=O)(=O)C 2740a_100000171171_100000184570 [0,2,0,0,0,0|2,0,0]=4 4334 B9R0.44 CSCC(=O)NS(=O)(=O)C 62a_100009907230_200000210301 [0,2,0,0,0,0|2,0,0]=4 4335 B9R0.44 CSCC(=O)NS(=O)(=O)C 62a_200000210301_100009907230 [0,2,0,0,0,0|2,0,0]=4 4336 B9R0.44 CSCC(=O)OC(C)(C)C 62a_100000183872_200000210301 [0,2,0,0,0,0|0,0,0]=2 4337 B9R0.44 CSCC(=O)OC(C)(C)C 62a_200000210301_100000183872 [0,2,0,0,0,0|0,0,0]=2 4338 B9R0.44 CSCC(=O)O[Si](C)(C)C 62a_200000210301_200009813336 [0,2,0,0,0,0|0,1,0]=3 4339 B9R0.44 CSCC(=O)O[Si](C)(C)C 62a_200009813336_200000210301 [0,2,0,0,0,0|0,1,0]=3 4340 B9R0.44 C[Si](C)(C)OC(=O)CS[13CH3] 62a_200009813336_200025704644 [0,2,0,0,0,0|0,1,0]=3 4341 B9R0.44 C[Si](C)(C)OC(=O)CS[13CH3] 62a_200025704644_200009813336 [0,2,0,0,0,0|0,1,0]=3 4342 B9R0.53 C=C(C)CC(=O)CC(C)C 1458a_100000210554_100000748629 [0,2,0,0,0,0|2,0,0]=4 4343 B9R0.53 C=C(C)CC(=O)C[C@@H](C)O 1458a_100011933948_100000748629 [0,2,0,0,0,0|2,0,0]=4 4344 B9R0.53 CC(=O)CC(=O)NC(C)C 1458a_100000070787_100000183996 [0,2,0,0,0,0|2,0,0]=4 4345 B9R0.53 CC(=O)CC(=O)OC(C)C 1458a_100000070787_100011215430 [0,2,0,0,0,0|1,0,0]=3 4346 B9R0.53 CC(C)CC(=O)CC(C)C 1458a_100000210554_100000210624 [0,2,0,0,0,0|2,0,0]=4 4347 B9R0.53 CC(C)CC(=O)CC(C)O 1458a_100000210554_100011218427 [0,2,0,0,0,0|2,0,0]=4 4348 B9R0.53 CC(C)CC(=O)CN(C)C 1458a_100000750896_100000210624 [0,2,0,0,0,0|2,0,0]=4 4349 B9R0.53 CC(C)CC(=O)C[C@@H](C)O 1458a_100011933948_100000210624 [0,2,0,0,0,0|2,0,0]=4 4350 B9R0.53 CC(C)CC(=O)C[S+](C)C 1458a_200159257847_100000210624 [0,2,0,0,0,0|1,0,1]=4 4351 B9R0.53 CC(C)CC(=O)NC(C)C 11a_100138425928_100000210554 [0,2,0,0,0,0|2,0,0]=4 4352 B9R0.53 CC(C)CC(=O)NC(C)C 1626a_100138425928_100000210554 [0,2,0,0,0,0|2,0,0]=4 4353 B9R0.53 CC(C)CC(=O)NC(C)C 240690a_100138425928_100000210554 [0,2,0,0,0,0|2,0,0]=4 4354 B9R0.53 CC(C)CC(=O)NC(C)C 527a_100138425928_100000210554 [0,2,0,0,0,0|2,0,0]=4 4355 B9R0.53 CC(C)NC(=O)CN(C)C 11a_100138425928_100000750896 [0,2,0,0,0,0|2,0,0]=4 4356 B9R0.53 CC(C)NC(=O)CN(C)C 2230a_100000168146_200000210301 [0,2,0,0,0,0|2,0,0]=4 4357 B9R0.53 CC(C)NC(=O)CN(C)C 2230a_100102631434_100000183996 [0,2,0,0,0,0|2,0,0]=4 4358 B9R0.53 CC(C)NC(=O)CN(C)C 240690a_100138425928_100000750896 [0,2,0,0,0,0|2,0,0]=4 4359 B9R0.53 CC(C)NC(=O)CN(C)C 269982a_100000168146_200000210301 [0,2,0,0,0,0|2,0,0]=4 4360 B9R0.53 CC(C)NC(=O)CN(C)C 269982a_100102631434_100000183996 [0,2,0,0,0,0|2,0,0]=4 4361 B9R0.53 CC(C)NC(=O)CN(C)C 527a_100138425928_100000750896 [0,2,0,0,0,0|2,0,0]=4 4362 B9R0.53 CC(C)NC(=O)CN(C)[13CH3] 2230a_100000168146_200025704644 [0,2,0,0,0,0|2,0,0]=4 4363 B9R0.53 CC(C)NC(=O)CN(C)[13CH3] 269982a_100000168146_200025704644 [0,2,0,0,0,0|2,0,0]=4 4364 B9R0.53 CC(C)NC(=O)C[C@@H](C)O 240690a_100138425928_100011933948 [0,2,0,0,0,0|2,0,0]=4 4365 B9R0.53 CC(C)NC(=O)C[S+](C)C 11a_100138425928_200159257847 [0,2,0,0,0,0|1,0,1]=4 4366 B9R0.53 CC(C)NC(=O)C[S+](C)C 1626a_100138425928_200159257847 [0,2,0,0,0,0|1,0,1]=4 4367 B9R0.53 CC(C)NC(=O)C[S+](C)C 240690a_100138425928_200159257847 [0,2,0,0,0,0|1,0,1]=4 4368 B9R0.53 CC(C)NC(=O)C[S+](C)C 527a_100138425928_200159257847 [0,2,0,0,0,0|1,0,1]=4 4369 B9R0.53 CC(C)OC(=O)CN(C)C 2230a_100102631434_100011215430 [0,2,0,0,0,0|1,0,0]=3 4370 B9R0.53 CC(C)OC(=O)CN(C)C 269982a_100102631434_100011215430 [0,2,0,0,0,0|1,0,0]=3 4371 B9R0.53 CC(O)CC(=O)CN(C)C 1458a_100000750896_100011218427 [0,2,0,0,0,0|2,0,0]=4 4372 B9R0.53 CC(O)CC(=O)C[C@@H](C)O 1458a_100011933948_100011218427 [0,2,0,0,0,0|2,0,0]=4 4373 B9R0.53 CC(O)CC(=O)C[S+](C)C 1458a_200159257847_100011218427 [0,2,0,0,0,0|1,0,1]=4 4374 B9R0.58 CC(C)O[Si](C)(C)CS[13CH3] 62a_200000042613_200025704644 [0,2,0,0,0,0|1,1,0]=4 4375 B9R0.58 CC(C)O[Si](C)(C)CS[13CH3] 62a_200025704644_200000042613 [0,2,0,0,0,0|1,1,0]=4 4376 B9R0.58 CSC[Si](C)(C)OC(C)C 62a_200000042613_200000210301 [0,2,0,0,0,0|1,1,0]=4 4377 B9R0.58 CSC[Si](C)(C)OC(C)C 62a_200000210301_200000042613 [0,2,0,0,0,0|1,1,0]=4 4378 B9R0.15 CCCC(OCC)C(=O)N 34a_100011626294_100000210202 [0,2,0,0,0,0|1,0,1]=4 4379 B9R0.15 CCCC(OCC)C(=O)N 7a_100011626294_100000210202 [0,2,0,0,0,0|1,0,1]=4 4380 B9R0.15 CCN[C@@H](CSC)C(=O)O 269956a_100011421858_100000210202 [0,2,0,0,0,0|1,0,1]=4 4381 B9R0.17 CCOC(CSC)CSC 7a_200000036665_100000210202 [0,2,0,0,0,0|0,1,1]=4 4382 B9R0.17 CCOC(CSC)OCC 62a_100000210512_200000210301 [0,2,0,0,0,0|0,0,2]=4 4383 B9R0.17 CCOC(CSC)OCC 62a_200000210301_100000210512 [0,2,0,0,0,0|0,0,2]=4 4384 B9R0.17 CCOC(CS[13CH3])OCC 62a_100000210512_200025704644 [0,2,0,0,0,0|0,0,2]=4 4385 B9R0.17 CCOC(CS[13CH3])OCC 62a_200025704644_100000210512 [0,2,0,0,0,0|0,0,2]=4 4386 B7R1.1 CCN1CCSC1 2230a_100011215254_100000210202 [1,0,0,1,0,0|2,0,0]=4 4387 B7R1.1 CCN1CCSC1 269982a_100011215254_100000204670 [1,0,0,1,0,0|2,0,0]=4 4388 B7R1.1 COC1CCSC1 7a_100011232664_200000210301 [1,0,0,1,0,0|1,0,1]=4 4389 B7R1.1 [13CH3]OC1CCSC1 7a_100011232664_200025704644 [1,0,0,1,0,0|1,0,1]=4 4390 B7R1.2 CN1CNC(=O)C1 2230a_200000708111_200000210301 [1,0,0,1,0,0|2,0,0]=4 4391 B7R1.2 [13CH3]N1CNC(=O)C1 2230a_200000708111_200025704644 [1,0,0,1,0,0|2,0,0]=4 4392 B7R1.6 CCOC1CCC1 34a_100000748187_100000210202 [1,0,0,1,0,0|1,0,1]=4 4393 B7R1.6 CCOC1CCC1 34a_100121572206_100000749161 [1,0,0,1,0,0|1,0,1]=4 4394 B7R1.6 CCOC1CSC1 7a_100000072292_100000210202 [1,0,0,1,0,0|1,0,1]=4 4395 B7R1.6 CSCC1CCC1 62a_100000763275_200000210301 [1,0,0,1,0,0|1,0,1]=4 4396 B7R1.6 CSCC1CCC1 62a_200000210301_100000763275 [1,0,0,1,0,0|1,0,1]=4 4397 B7R1.6 CSCC1CCO1 62a_100000103362_200000210301 [1,0,0,1,0,0|0,0,2]=4 4398 B7R1.6 CSCC1CCO1 62a_200000210301_100000103362 [1,0,0,1,0,0|0,0,2]=4 4399 B7R1.6 CSCN1CCC1 269982a_100000754969_100011218213 [1,0,0,1,0,0|2,0,0]=4 4400 B7R1.6 [13CH3]SCC1CCC1 62a_100000763275_200025704644 [1,0,0,1,0,0|1,0,1]=4 4401 B7R1.6 [13CH3]SCC1CCC1 62a_200025704644_100000763275 [1,0,0,1,0,0|1,0,1]=4 4402 B7R1.6 [13CH3]SCC1CCO1 62a_100000103362_200025704644 [1,0,0,1,0,0|0,0,2]=4 4403 B7R1.6 [13CH3]SCC1CCO1 62a_200025704644_100000103362 [1,0,0,1,0,0|0,0,2]=4 4404 B7R1.8 CNC1CCC1=O 34a_100102657272_100009892977 [1,0,0,1,0,0|1,0,0]=3 4405 B7R1.8 CNC1CCC1=O 7a_106832991635_100009892977 [1,0,0,1,0,0|1,0,0]=3 4406 B7R1.8 COC1CCC1=O 34a_100138415774_100009892977 [1,0,0,1,0,0|0,1,0]=3 4407 B7R1.8 CSC1CCC1=O 62a_100009892977_200000210301 [1,0,0,1,0,0|0,0,0]=2 4408 B7R1.8 CSC1CCC1=O 62a_200000210301_100009892977 [1,0,0,1,0,0|0,0,0]=2 4409 B7R1.8 [13CH3]SC1CCC1=O 62a_100009892977_200025704644 [1,0,0,1,0,0|0,0,0]=2 4410 B7R1.8 [13CH3]SC1CCC1=O 62a_200025704644_100009892977 [1,0,0,1,0,0|0,0,0]=2 4411 B7R1.21 CC1(CO1)CS[13CH3] 62a_100000760498_200025704644 [1,0,0,1,0,0|1,0,1]=4 4412 B7R1.21 CC1(CO1)CS[13CH3] 62a_200025704644_100000760498 [1,0,0,1,0,0|1,0,1]=4 4413 B7R1.21 CCOC1(CC1)C 7a_100011725673_100000210202 [1,0,0,1,0,0|1,0,1]=4 4414 B7R1.21 CSCC1(CO1)C 62a_100000760498_200000210301 [1,0,0,1,0,0|1,0,1]=4 4415 B7R1.21 CSCC1(CO1)C 62a_200000210301_100000760498 [1,0,0,1,0,0|1,0,1]=4 4416 B7R1.22 CCC(=O)C1CC1 1458a_100000210395_100000210202 [1,0,0,1,0,0|1,0,0]=3 4417 B7R1.22 CCC(=O)C1CO1 1458a_100000701028_100000210202 [1,0,0,1,0,0|0,1,0]=3 4418 B7R1.22 CNC(=O)C1CC1 11a_106832991635_100000210395 [1,0,0,1,0,0|2,0,0]=4 4419 B7R1.22 CNC(=O)C1CC1 1626a_100102657272_100000210395 [1,0,0,1,0,0|2,0,0]=4 4420 B7R1.22 CNC(=O)C1CC1 240690a_100102657272_100000210395 [1,0,0,1,0,0|2,0,0]=4 4421 B7R1.22 CNC(=O)C1CC1 527a_100102657272_100000210395 [1,0,0,1,0,0|2,0,0]=4 4422 B7R1.22 CNC(=O)C1CO1 11a_106832991635_100000701028 [1,0,0,1,0,0|1,1,0]=4 4423 B7R1.22 CNC(=O)C1CO1 1626a_100102657272_100000701028 [1,0,0,1,0,0|1,1,0]=4 4424 B7R1.22 CNC(=O)C1CO1 240690a_100102657272_100000701028 [1,0,0,1,0,0|1,1,0]=4 4425 B7R1.22 CNC(=O)C1CO1 527a_100102657272_100000701028 [1,0,0,1,0,0|1,1,0]=4 4426 B7R1.22 O=C(CF)C1CC1 1458a_100000210395_100015361967 [1,0,0,1,0,0|2,0,0]=4 4427 B7R1.22 O=C(CF)C1CO1 1458a_100000701028_100015361967 [1,0,0,1,0,0|1,1,0]=4 4428 B7R1.25 CC1(CSC1)O[13CH3] 7a_100016018533_200025704644 [1,0,0,1,0,0|1,0,1]=4 4429 B7R1.25 COC1(CSC1)C 7a_100016018533_200000210301 [1,0,0,1,0,0|1,0,1]=4 4430 B7R1.7 CCOCC1CC1 34a_100000211283_100000210202 [1,0,0,1,0,0|1,0,1]=4 4431 B7R1.7 CCOCC1CC1 34a_100121572206_100000742324 [1,0,0,1,0,0|1,0,1]=4 4432 B7R1.7 CCOCC1CO1 34a_100121572206_102125554688 [1,0,0,1,0,0|0,1,1]=4 4433 B7R1.7 CCOC[C@@H]1CO1 34a_100000757423_100000210202 [1,0,0,1,0,0|0,1,1]=4 4434 B7R1.7 CCSCC1CS1 62a_100000031435_100000210202 [1,0,0,1,0,0|0,1,1]=4 4435 B7R1.7 CCSCC1CS1 62a_100000210202_100000031435 [1,0,0,1,0,0|0,1,1]=4 4436 B7R1.7 CSCCC1CC1 62a_100000764125_200000210301 [1,0,0,1,0,0|1,0,1]=4 4437 B7R1.7 CSCCC1CC1 62a_200000210301_100000764125 [1,0,0,1,0,0|1,0,1]=4 4438 B7R1.7 CSCNC1CC1 34a_100000212008_100011218213 [1,0,0,1,0,0|2,0,0]=4 4439 B7R1.7 CSCSC1CC1 62a_100011218213_100000211595 [1,0,0,1,0,0|2,0,0]=4 4440 B7R1.7 [13CH3]SCCC1CC1 62a_100000764125_200025704644 [1,0,0,1,0,0|1,0,1]=4 4441 B7R1.7 [13CH3]SCCC1CC1 62a_200025704644_100000764125 [1,0,0,1,0,0|1,0,1]=4 4442 B9R1.2 CCN1CCNC(=O)C1 2230a_100000184651_100000210202 [0,1,0,1,0,0|2,0,0]=4 4443 B9R1.2 CCN1CCOC(=O)C1 2230a_100000131268_100000210202 [0,1,0,1,0,0|1,0,0]=3 4444 B9R1.2 CNC1CCNC(=O)C1 2230a_100016994916_200000210301 [0,1,0,1,0,0|2,0,0]=4 4445 B9R1.2 CNC1CCNC(=O)C1 34a_100016994916_200000210301 [0,1,0,1,0,0|2,0,0]=4 4446 B9R1.2 COC1CCCC(=O)C1 34a_100012613340_200000210301 [0,1,0,1,0,0|1,1,0]=4 4447 B9R1.2 CO[C@@H]1CCNC(=O)C1 34a_100015189427_200000210301 [0,1,0,1,0,0|1,1,0]=4 4448 B9R1.2 [13CH3]NC1CCNC(=O)C1 2230a_100016994916_200025704644 [0,1,0,1,0,0|2,0,0]=4 4449 B9R1.2 [13CH3]NC1CCNC(=O)C1 34a_100016994916_200025704644 [0,1,0,1,0,0|2,0,0]=4 4450 B9R1.2 [13CH3]OC1CCCC(=O)C1 34a_100012613340_200025704644 [0,1,0,1,0,0|1,1,0]=4 4451 B9R1.2 [13CH3]O[C@@H]1CCNC(=O)C1 34a_100015189427_200025704644 [0,1,0,1,0,0|1,1,0]=4 4452 B9R1.7 CSCc1cc(no1)C 62a_100000707947_200000210301 [0,1,0,1,0,0|1,0,1]=4 4453 B9R1.7 CSCc1cc(no1)C 62a_200000210301_100000707947 [0,1,0,1,0,0|1,0,1]=4 4454 B9R1.7 CSCc1cc(on1)C 62a_100000199038_200000210301 [0,1,0,1,0,0|1,0,1]=4 4455 B9R1.7 CSCc1cc(on1)C 62a_200000210301_100000199038 [0,1,0,1,0,0|1,0,1]=4 4456 B9R1.7 CSCc1nc(no1)C 270196a_100000212224_100000184570 [0,1,0,1,0,0|1,0,1]=4 4457 B9R1.7 CSCc1nc(no1)C 62a_100000735555_200000210301 [0,1,0,1,0,0|1,0,1]=4 4458 B9R1.7 CSCc1nc(no1)C 62a_200000210301_100000735555 [0,1,0,1,0,0|1,0,1]=4 4459 B9R1.7 CSCc1nnc(o1)C 62a_100000181450_200000210301 [0,1,0,1,0,0|1,0,1]=4 4460 B9R1.7 CSCc1nnc(o1)C 62a_200000210301_100000181450 [0,1,0,1,0,0|1,0,1]=4 4461 B9R1.7 CSCc1noc(n1)C 270196a_100000749773_100000070787 [0,1,0,1,0,0|1,0,1]=4 4462 B9R1.7 CSCc1noc(n1)C 62a_100000231061_200000210301 [0,1,0,1,0,0|1,0,1]=4 4463 B9R1.7 CSCc1noc(n1)C 62a_200000210301_100000231061 [0,1,0,1,0,0|1,0,1]=4 4464 B9R1.7 Cc1cc(no1)CS[13CH3] 62a_100000199038_200025704644 [0,1,0,1,0,0|1,0,1]=4 4465 B9R1.7 Cc1cc(no1)CS[13CH3] 62a_200025704644_100000199038 [0,1,0,1,0,0|1,0,1]=4 4466 B9R1.7 Cc1cc(on1)CS[13CH3] 62a_100000707947_200025704644 [0,1,0,1,0,0|1,0,1]=4 4467 B9R1.7 Cc1cc(on1)CS[13CH3] 62a_200025704644_100000707947 [0,1,0,1,0,0|1,0,1]=4 4468 B9R1.7 Cc1nc(no1)CS[13CH3] 62a_100000231061_200025704644 [0,1,0,1,0,0|1,0,1]=4 4469 B9R1.7 Cc1nc(no1)CS[13CH3] 62a_200025704644_100000231061 [0,1,0,1,0,0|1,0,1]=4 4470 B9R1.7 Cc1nnc(o1)CS[13CH3] 62a_100000181450_200025704644 [0,1,0,1,0,0|1,0,1]=4 4471 B9R1.7 Cc1nnc(o1)CS[13CH3] 62a_200025704644_100000181450 [0,1,0,1,0,0|1,0,1]=4 4472 B9R1.7 Cc1noc(n1)CS[13CH3] 62a_100000735555_200025704644 [0,1,0,1,0,0|1,0,1]=4 4473 B9R1.7 Cc1noc(n1)CS[13CH3] 62a_200025704644_100000735555 [0,1,0,1,0,0|1,0,1]=4 4474 B9R1.8 CCOC1CCCSC1 7a_100015962668_100000210202 [0,1,0,1,0,0|1,0,1]=4 4475 B9R1.8 CCOC1CCSCC1 34a_100000731022_100000210202 [0,1,0,1,0,0|1,0,1]=4 4476 B9R1.8 CCOC1CCSCC1 34a_100121572206_100000069128 [0,1,0,1,0,0|1,0,1]=4 4477 B9R1.8 CCOC1CCSCC1 7a_100000731022_100000210202 [0,1,0,1,0,0|1,0,1]=4 4478 B9R1.8 CSCC1CCCCO1 62a_100000211543_200000210301 [0,1,0,1,0,0|1,0,1]=4 4479 B9R1.8 CSCC1CCCCO1 62a_200000210301_100000211543 [0,1,0,1,0,0|1,0,1]=4 4480 B9R1.8 CSCC1CCCOC1 62a_100000741521_200000210301 [0,1,0,1,0,0|1,0,1]=4 4481 B9R1.8 CSCC1CCCOC1 62a_200000210301_100000741521 [0,1,0,1,0,0|1,0,1]=4 4482 B9R1.8 CSCN1CCCOC1 2230a_100000131196_100011218213 [0,1,0,1,0,0|2,0,0]=4 4483 B9R1.8 CSCN1CCCOC1 269982a_100000131196_100011218213 [0,1,0,1,0,0|2,0,0]=4 4484 B9R1.8 CSCN1CCCOC1 34a_100000131196_100011218213 [0,1,0,1,0,0|2,0,0]=4 4485 B9R1.8 [13CH3]SCC1CCCCO1 62a_100000211543_200025704644 [0,1,0,1,0,0|1,0,1]=4 4486 B9R1.8 [13CH3]SCC1CCCCO1 62a_200025704644_100000211543 [0,1,0,1,0,0|1,0,1]=4 4487 B9R1.8 [13CH3]SCC1CCCOC1 62a_100000741521_200025704644 [0,1,0,1,0,0|1,0,1]=4 4488 B9R1.8 [13CH3]SCC1CCCOC1 62a_200025704644_100000741521 [0,1,0,1,0,0|1,0,1]=4 4489 B9R1.12 CCCOC1CCSC1 7a_100011232664_100000210303 [0,1,0,1,0,0|1,0,1]=4 4490 B9R1.12 CCNN=C1CCSC1 4a_100000756455_100000212027 [0,1,0,1,0,0|2,0,0]=4 4491 B9R1.12 CCOCN1CCSC1 269982a_100011215254_100000739092 [0,1,0,1,0,0|2,0,0]=4 4492 B9R1.12 CCSCC1=NCCN1 62a_100000210202_100000737910 [0,1,0,1,0,0|2,0,0]=4 4493 B9R1.12 CCSCC1=NCCN1 62a_100000737910_100000210202 [0,1,0,1,0,0|2,0,0]=4 4494 B9R1.12 CCSCC1CCCO1 62a_100000203698_100000210202 [0,1,0,1,0,0|1,0,1]=4 4495 B9R1.12 CCSCC1CCCO1 62a_100000210202_100000203698 [0,1,0,1,0,0|1,0,1]=4 4496 B9R1.12 CCSCC1OCCO1 62a_100000210202_100000755774 [0,1,0,1,0,0|0,0,2]=4 4497 B9R1.12 CCSCC1OCCO1 62a_100000755774_100000210202 [0,1,0,1,0,0|0,0,2]=4 4498 B9R1.12 CSCCC1OCCO1 62a_200000210301_100000740749 [0,1,0,1,0,0|0,0,2]=4 4499 B9R1.12 CSCOC1CCCO1 34a_100000085407_100011218213 [0,1,0,1,0,0|1,0,1]=4 4500 B9R1.12 FCCOC1CCSC1 7a_100011232664_100011217306 [0,1,0,1,0,0|1,0,1]=4 4501 B9R1.12 FCSCC1=NCCN1 62a_100000737910_100015361967 [0,1,0,1,0,0|2,0,0]=4 4502 B9R1.12 FCSCC1=NCCN1 62a_100015361967_100000737910 [0,1,0,1,0,0|2,0,0]=4 4503 B9R1.12 FCSCC1CCCO1 62a_100000203698_100015361967 [0,1,0,1,0,0|1,0,1]=4 4504 B9R1.12 FCSCC1CCCO1 62a_100015361967_100000203698 [0,1,0,1,0,0|1,0,1]=4 4505 B9R1.12 FCSCC1OCCO1 62a_100000755774_100015361967 [0,1,0,1,0,0|0,0,2]=4 4506 B9R1.12 FCSCC1OCCO1 62a_100015361967_100000755774 [0,1,0,1,0,0|0,0,2]=4 4507 B9R1.12 OCCOC1CCSC1 7a_100011232664_100000211926 [0,1,0,1,0,0|1,0,1]=4 4508 B9R1.12 [13CH3]SCCC1OCCO1 62a_200025704644_100000740749 [0,1,0,1,0,0|0,0,2]=4 4509 B9R1.15 CNC1CCCCC1=O 34a_100102657272_100000754470 [0,1,0,1,0,0|2,0,0]=4 4510 B9R1.15 CNC1CCCCC1=O 7a_106832991635_100000204591 [0,1,0,1,0,0|2,0,0]=4 4511 B9R1.15 CNC1CCCNC1=O 2230a_100000747585_200000210301 [0,1,0,1,0,0|2,0,0]=4 4512 B9R1.15 CNC1CCCNC1=O 2230a_106832991635_100000687798 [0,1,0,1,0,0|2,0,0]=4 4513 B9R1.15 CNC1CCCNC1=O 34a_100000747585_200000210301 [0,1,0,1,0,0|2,0,0]=4 4514 B9R1.15 CNC1CCCNC1=O 34a_100102657272_100000687798 [0,1,0,1,0,0|2,0,0]=4 4515 B9R1.15 CNC1CCCNC1=O 7a_106832991635_100000687798 [0,1,0,1,0,0|2,0,0]=4 4516 B9R1.15 CNC1COCCC1=O 34a_100102657272_100012180262 [0,1,0,1,0,0|2,0,0]=4 4517 B9R1.15 CNC1COCCC1=O 7a_106832991635_100012180262 [0,1,0,1,0,0|2,0,0]=4 4518 B9R1.15 COC1CCCCC1=O 34a_100011214950_200000210301 [0,1,0,1,0,0|1,1,0]=4 4519 B9R1.15 COC1CCCCC1=O 34a_100138415774_100000754470 [0,1,0,1,0,0|1,1,0]=4 4520 B9R1.15 COC1CCCNC1=O 34a_100000073722_200000210301 [0,1,0,1,0,0|1,1,0]=4 4521 B9R1.15 COC1CCCNC1=O 34a_100138415774_100000687798 [0,1,0,1,0,0|1,1,0]=4 4522 B9R1.15 COC1COCCC1=O 34a_100138415774_100012180262 [0,1,0,1,0,0|1,1,0]=4 4523 B9R1.15 CSC1CCCCC1=O 62a_100000204591_200000210301 [0,1,0,1,0,0|1,0,0]=3 4524 B9R1.15 CSC1CCCCC1=O 62a_200000210301_100000204591 [0,1,0,1,0,0|1,0,0]=3 4525 B9R1.15 CSC1CCCNC1=O 62a_100000687798_200000210301 [0,1,0,1,0,0|1,0,0]=3 4526 B9R1.15 CSC1CCCNC1=O 62a_200000210301_100000687798 [0,1,0,1,0,0|1,0,0]=3 4527 B9R1.15 CSC1COCCC1=O 62a_100012180262_200000210301 [0,1,0,1,0,0|1,0,0]=3 4528 B9R1.15 CSC1COCCC1=O 62a_200000210301_100012180262 [0,1,0,1,0,0|1,0,0]=3 4529 B9R1.15 [13CH3]NC1CCCNC1=O 2230a_100000747585_200025704644 [0,1,0,1,0,0|2,0,0]=4 4530 B9R1.15 [13CH3]NC1CCCNC1=O 34a_100000747585_200025704644 [0,1,0,1,0,0|2,0,0]=4 4531 B9R1.15 [13CH3]OC1CCCCC1=O 34a_100011214950_200025704644 [0,1,0,1,0,0|1,1,0]=4 4532 B9R1.15 [13CH3]OC1CCCNC1=O 34a_100000073722_200025704644 [0,1,0,1,0,0|1,1,0]=4 4533 B9R1.15 [13CH3]SC1CCCCC1=O 62a_100000204591_200025704644 [0,1,0,1,0,0|1,0,0]=3 4534 B9R1.15 [13CH3]SC1CCCCC1=O 62a_200025704644_100000204591 [0,1,0,1,0,0|1,0,0]=3 4535 B9R1.15 [13CH3]SC1CCCNC1=O 62a_100000687798_200025704644 [0,1,0,1,0,0|1,0,0]=3 4536 B9R1.15 [13CH3]SC1CCCNC1=O 62a_200025704644_100000687798 [0,1,0,1,0,0|1,0,0]=3 4537 B9R1.15 [13CH3]SC1COCCC1=O 62a_100012180262_200025704644 [0,1,0,1,0,0|1,0,0]=3 4538 B9R1.15 [13CH3]SC1COCCC1=O 62a_200025704644_100012180262 [0,1,0,1,0,0|1,0,0]=3 4539 B9R1.22 CC1CC(C(=O)O1)S[13CH3] 62a_200000216747_200025704644 [0,1,0,1,0,0|0,0,0]=2 4540 B9R1.22 CC1CC(C(=O)O1)S[13CH3] 62a_200025704644_200000216747 [0,1,0,1,0,0|0,0,0]=2 4541 B9R1.22 CNC1CC(OC1=O)C 2230a_106832991635_200000216747 [0,1,0,1,0,0|1,0,0]=3 4542 B9R1.22 CNC1CC(OC1=O)C 34a_100102657272_200000216747 [0,1,0,1,0,0|1,0,0]=3 4543 B9R1.22 CNC1CC(OC1=O)C 7a_106832991635_200000216747 [0,1,0,1,0,0|1,0,0]=3 4544 B9R1.22 COC1CC(OC1=O)C 34a_100138415774_200000216747 [0,1,0,1,0,0|0,1,0]=3 4545 B9R1.22 CSC1CC(OC1=O)C 62a_200000210301_200000216747 [0,1,0,1,0,0|0,0,0]=2 4546 B9R1.22 CSC1CC(OC1=O)C 62a_200000216747_200000210301 [0,1,0,1,0,0|0,0,0]=2 4547 B9R1.27 CC1=NNC(=O)C1S[13CH3] 62a_200025704644_200009843013 [0,1,0,1,0,0|1,0,1]=4 4548 B9R1.27 CNC1C(=O)COC1=O 34a_100102657272_100000032967 [0,1,0,1,0,0|1,0,1]=4 4549 B9R1.27 COC1C(=O)COC1=O 34a_100138415774_100000032967 [0,1,0,1,0,0|0,1,1]=4 4550 B9R1.27 CSC1C(=O)CCC1=O 62a_100009820769_200000210301 [0,1,0,1,0,0|1,0,1]=4 4551 B9R1.27 CSC1C(=O)CCC1=O 62a_200000210301_100009820769 [0,1,0,1,0,0|1,0,1]=4 4552 B9R1.27 CSC1C(=O)COC1=O 62a_200000210301_100000032967 [0,1,0,1,0,0|0,0,1]=3 4553 B9R1.27 CSC1C(=O)NN=C1C 62a_200000210301_200009843013 [0,1,0,1,0,0|1,0,1]=4 4554 B9R1.27 [13CH3]SC1C(=O)CCC1=O 62a_100009820769_200025704644 [0,1,0,1,0,0|1,0,1]=4 4555 B9R1.27 [13CH3]SC1C(=O)CCC1=O 62a_200025704644_100009820769 [0,1,0,1,0,0|1,0,1]=4 4556 B9R1.27 [13CH3]SC1C(=O)COC1=O 62a_200025704644_100000032967 [0,1,0,1,0,0|0,0,1]=3 4557 B9R1.33 CCNC1CCCC1=O 2230a_100015525214_100000211823 [0,1,0,1,0,0|2,0,0]=4 4558 B9R1.33 CCNC1CCNC1=O 2230a_100016995588_100000210202 [0,1,0,1,0,0|2,0,0]=4 4559 B9R1.33 CCNC1CCNC1=O 34a_100016995588_100000210202 [0,1,0,1,0,0|2,0,0]=4 4560 B9R1.33 CCNC1CCOC1=O 2230a_100015525214_100000211211 [0,1,0,1,0,0|1,0,0]=3 4561 B9R1.33 CCOC1CCCC1=O 34a_100121572206_100000709159 [0,1,0,1,0,0|1,0,0]=3 4562 B9R1.33 CCOC1CCCC1=O 34a_200000719330_100000210202 [0,1,0,1,0,0|1,0,0]=3 4563 B9R1.33 CCOC1CCOC1=O 34a_100121572206_100000211211 [0,1,0,1,0,0|0,1,0]=3 4564 B9R1.33 CCO[C@H]1CCNC1=O 34a_100000688343_100000210202 [0,1,0,1,0,0|1,1,0]=4 4565 B9R1.33 CCSC1CCCC1=O 62a_100000210202_100000211823 [0,1,0,1,0,0|1,0,0]=3 4566 B9R1.33 CCSC1CCCC1=O 62a_100000211823_100000210202 [0,1,0,1,0,0|1,0,0]=3 4567 B9R1.33 CCSC1CCOC1=O 62a_100000210202_100000211211 [0,1,0,1,0,0|0,0,0]=2 4568 B9R1.33 CCSC1CCOC1=O 62a_100000211211_100000210202 [0,1,0,1,0,0|0,0,0]=2 4569 B9R1.33 COCC1=CCCC1=O 34a_100000087531_200000210301 [0,1,0,1,0,0|1,1,0]=4 4570 B9R1.33 COCC1CCNC1=O 34a_100000133458_200000210301 [0,1,0,1,0,0|1,1,0]=4 4571 B9R1.33 CSCN1CCCC1=O 62a_100000026320_200000210301 [0,1,0,1,0,0|1,0,0]=3 4572 B9R1.33 CSCN1CCCC1=O 62a_200000210301_100000026320 [0,1,0,1,0,0|1,0,0]=3 4573 B9R1.33 O=C1CCCC1OCF 34a_200000719330_100015361967 [0,1,0,1,0,0|1,1,0]=4 4574 B9R1.33 O=C1CCCC1SCF 62a_100000211823_100015361967 [0,1,0,1,0,0|1,0,0]=3 4575 B9R1.33 O=C1CCCC1SCF 62a_100015361967_100000211823 [0,1,0,1,0,0|1,0,0]=3 4576 B9R1.33 O=C1NCCC1NCF 34a_100016995588_100015361967 [0,1,0,1,0,0|2,0,0]=4 4577 B9R1.33 O=C1NCC[C@@H]1OCF 34a_100000688343_100015361967 [0,1,0,1,0,0|1,1,0]=4 4578 B9R1.33 O=C1OCCC1SCF 62a_100000211211_100015361967 [0,1,0,1,0,0|0,0,0]=2 4579 B9R1.33 O=C1OCCC1SCF 62a_100015361967_100000211211 [0,1,0,1,0,0|0,0,0]=2 4580 B9R1.33 [13CH3]OCC1=CCCC1=O 34a_100000087531_200025704644 [0,1,0,1,0,0|1,1,0]=4 4581 B9R1.33 [13CH3]OCC1CCNC1=O 34a_100000133458_200025704644 [0,1,0,1,0,0|1,1,0]=4 4582 B9R1.33 [13CH3]SCN1CCCC1=O 62a_100000026320_200025704644 [0,1,0,1,0,0|1,0,0]=3 4583 B9R1.33 [13CH3]SCN1CCCC1=O 62a_200025704644_100000026320 [0,1,0,1,0,0|1,0,0]=3 4584 B9R1.48 CN1CCCNC(=O)C1 2230a_100015190381_200000210301 [0,1,0,1,0,0|2,0,0]=4 4585 B9R1.48 [13CH3]N1CCCNC(=O)C1 2230a_100015190381_200025704644 [0,1,0,1,0,0|2,0,0]=4 4586 B9R1.49 CN1CCNC(=O)CC1 2230a_100000698595_200000210301 [0,1,0,1,0,0|2,0,0]=4 4587 B9R1.49 CN1CCNC(=O)CC1 269982a_100000698595_200000210301 [0,1,0,1,0,0|2,0,0]=4 4588 B9R1.49 [13CH3]N1CCNC(=O)CC1 2230a_100000698595_200025704644 [0,1,0,1,0,0|2,0,0]=4 4589 B9R1.49 [13CH3]N1CCNC(=O)CC1 269982a_100000698595_200025704644 [0,1,0,1,0,0|2,0,0]=4 4590 B9R1.69 CN1CCN(C(=O)C1)C 2230a_100000187256_200000210301 [0,1,0,1,0,0|2,0,0]=4 4591 B9R1.69 CN1CCN(C(=O)C1)C 269982a_100000187256_200000210301 [0,1,0,1,0,0|2,0,0]=4 4592 B9R1.69 CN1CCN(CC1=O)[13CH3] 2230a_100000187256_200025704644 [0,1,0,1,0,0|2,0,0]=4 4593 B9R1.69 CN1CCN(CC1=O)[13CH3] 269982a_100000187256_200025704644 [0,1,0,1,0,0|2,0,0]=4 4594 B9R1.73 C#CCC(=O)C1CCO1 1458a_100000089072_100000184674 [0,1,0,1,0,0|1,0,1]=4 4595 B9R1.73 C=CCC(=O)C1CCO1 1458a_100000089072_100000210623 [0,1,0,1,0,0|1,0,1]=4 4596 B9R1.73 CCCC(=O)C1CCC1 1458a_100000209988_100000210303 [0,1,0,1,0,0|2,0,0]=4 4597 B9R1.73 CCCC(=O)C1CCC1 1458a_100000211992_100000749161 [0,1,0,1,0,0|2,0,0]=4 4598 B9R1.73 CCCC(=O)C1CCO1 1458a_100000089072_100000210303 [0,1,0,1,0,0|1,0,0]=3 4599 B9R1.73 CCCC(=O)C1COC1 1458a_100000211992_100000687716 [0,1,0,1,0,0|1,1,0]=4 4600 B9R1.73 CCCC(=O)C1COC1 1458a_100000758290_100000210303 [0,1,0,1,0,0|1,1,0]=4 4601 B9R1.73 CCCC(=O)N1CCC1 11a_100000754969_100000211992 [0,1,0,1,0,0|2,0,0]=4 4602 B9R1.73 CCCC(=O)N1CCC1 240690a_100000754969_100000211992 [0,1,0,1,0,0|2,0,0]=4 4603 B9R1.73 CCCC(=O)N1CCC1 527a_100000754969_100000211992 [0,1,0,1,0,0|2,0,0]=4 4604 B9R1.73 CCNC(=O)C1CCC1 11a_100015525214_100000209988 [0,1,0,1,0,0|2,0,0]=4 4605 B9R1.73 CCNC(=O)C1CCC1 240690a_100015525214_100000209988 [0,1,0,1,0,0|2,0,0]=4 4606 B9R1.73 CCNC(=O)C1CCC1 527a_100015525214_100000209988 [0,1,0,1,0,0|2,0,0]=4 4607 B9R1.73 CCNC(=O)C1CCO1 11a_100015525214_100000089072 [0,1,0,1,0,0|1,1,0]=4 4608 B9R1.73 CCNC(=O)C1CCO1 240690a_100015525214_100000089072 [0,1,0,1,0,0|1,1,0]=4 4609 B9R1.73 CCNC(=O)C1CCO1 527a_100015525214_100000089072 [0,1,0,1,0,0|1,1,0]=4 4610 B9R1.73 CCNC(=O)C1COC1 11a_100015525214_100000758290 [0,1,0,1,0,0|1,1,0]=4 4611 B9R1.73 CCNC(=O)C1COC1 240690a_100015525214_100000758290 [0,1,0,1,0,0|1,1,0]=4 4612 B9R1.73 CCNC(=O)C1COC1 527a_100015525214_100000758290 [0,1,0,1,0,0|1,1,0]=4 4613 B9R1.73 CCNC(=O)N1CCC1 2708a_100015525214_100000754969 [0,1,0,1,0,0|2,0,0]=4 4614 B9R1.73 CCNC(=O)N1CCC1 273464a_100015525214_100000754969 [0,1,0,1,0,0|2,0,0]=4 4615 B9R1.73 CNCC(=O)C1CCC1 2230a_106832991635_100000686122 [0,1,0,1,0,0|2,0,0]=4 4616 B9R1.73 CNCC(=O)C1CCC1 34a_100102657272_100000686122 [0,1,0,1,0,0|2,0,0]=4 4617 B9R1.73 CNCC(=O)C1CCC1 7a_106832991635_100000686122 [0,1,0,1,0,0|2,0,0]=4 4618 B9R1.73 CNCC(=O)N1CCC1 2230a_106832991635_100000185095 [0,1,0,1,0,0|2,0,0]=4 4619 B9R1.73 CNCC(=O)N1CCC1 34a_100102657272_100000185095 [0,1,0,1,0,0|2,0,0]=4 4620 B9R1.73 CNCC(=O)N1CCC1 7a_106832991635_100000185095 [0,1,0,1,0,0|2,0,0]=4 4621 B9R1.73 CNNC(=O)C1CCO1 22a_100016993582_100000089072 [0,1,0,1,0,0|2,0,0]=4 4622 B9R1.73 COCC(=O)C1CCC1 1458a_100000210968_100000749161 [0,1,0,1,0,0|1,1,0]=4 4623 B9R1.73 COCC(=O)C1CCC1 34a_100138415774_100000686122 [0,1,0,1,0,0|1,1,0]=4 4624 B9R1.73 COCC(=O)C1COC1 1458a_100000210968_100000687716 [0,1,0,1,0,0|1,1,0]=4 4625 B9R1.73 COCC(=O)N1CCC1 11a_100000754969_100000210968 [0,1,0,1,0,0|1,1,0]=4 4626 B9R1.73 COCC(=O)N1CCC1 240690a_100000754969_100000210968 [0,1,0,1,0,0|1,1,0]=4 4627 B9R1.73 COCC(=O)N1CCC1 34a_100138415774_100000185095 [0,1,0,1,0,0|1,1,0]=4 4628 B9R1.73 COCC(=O)N1CCC1 527a_100000754969_100000210968 [0,1,0,1,0,0|1,1,0]=4 4629 B9R1.73 CSCC(=O)C1CCC1 1458a_100000184570_100000749161 [0,1,0,1,0,0|1,0,0]=3 4630 B9R1.73 CSCC(=O)C1CCC1 62a_100000686122_200000210301 [0,1,0,1,0,0|1,0,0]=3 4631 B9R1.73 CSCC(=O)C1CCC1 62a_200000210301_100000686122 [0,1,0,1,0,0|1,0,0]=3 4632 B9R1.73 CSCC(=O)C1COC1 1458a_100000184570_100000687716 [0,1,0,1,0,0|1,0,0]=3 4633 B9R1.73 CSCC(=O)N1CCC1 11a_100000754969_100000184570 [0,1,0,1,0,0|1,0,0]=3 4634 B9R1.73 CSCC(=O)N1CCC1 240690a_100000754969_100000184570 [0,1,0,1,0,0|1,0,0]=3 4635 B9R1.73 CSCC(=O)N1CCC1 527a_100000754969_100000184570 [0,1,0,1,0,0|1,0,0]=3 4636 B9R1.73 CSCC(=O)N1CCC1 62a_100000185095_200000210301 [0,1,0,1,0,0|1,0,0]=3 4637 B9R1.73 CSCC(=O)N1CCC1 62a_200000210301_100000185095 [0,1,0,1,0,0|1,0,0]=3 4638 B9R1.73 N#CCC(=O)C1CCO1 1458a_100000089072_100011214920 [0,1,0,1,0,0|2,0,0]=4 4639 B9R1.73 O=C(CCF)C1CCO1 1458a_100000089072_100011217306 [0,1,0,1,0,0|2,0,0]=4 4640 B9R1.73 O=C(CCO)C1CCO1 1458a_100000089072_100000211926 [0,1,0,1,0,0|2,0,0]=4 4641 B9R1.73 [13CH3]SCC(=O)C1CCC1 62a_100000686122_200025704644 [0,1,0,1,0,0|1,0,0]=3 4642 B9R1.73 [13CH3]SCC(=O)C1CCC1 62a_200025704644_100000686122 [0,1,0,1,0,0|1,0,0]=3 4643 B9R1.73 [13CH3]SCC(=O)N1CCC1 62a_100000185095_200025704644 [0,1,0,1,0,0|1,0,0]=3 4644 B9R1.73 [13CH3]SCC(=O)N1CCC1 62a_200025704644_100000185095 [0,1,0,1,0,0|1,0,0]=3 4645 B9R1.75 CC#CC(=O)CC1CS1 1458a_100000763181_100000031435 [0,1,0,1,0,0|1,0,1]=4 4646 B9R1.75 CC=CC(=O)CC1CS1 1458a_100000210699_100000031435 [0,1,0,1,0,0|1,0,1]=4 4647 B9R1.75 CCCC(=O)CC1CC1 1458a_100000211992_100000742324 [0,1,0,1,0,0|2,0,0]=4 4648 B9R1.75 CCCC(=O)CC1CC1 1458a_100000738066_100000210303 [0,1,0,1,0,0|2,0,0]=4 4649 B9R1.75 CCCC(=O)CC1CO1 1458a_100000211992_100011216344 [0,1,0,1,0,0|1,1,0]=4 4650 B9R1.75 CCCC(=O)CC1CS1 1458a_100000211992_100000031435 [0,1,0,1,0,0|1,0,0]=3 4651 B9R1.75 CCCC(=O)C[C@@H]1CO1 1458a_100000211992_100000745022 [0,1,0,1,0,0|1,1,0]=4 4652 B9R1.75 CCCC(=O)NC1CC1 1626a_100000212008_100000211992 [0,1,0,1,0,0|2,0,0]=4 4653 B9R1.75 CCCC(=O)NC1CC1 240690a_100000212008_100000211992 [0,1,0,1,0,0|2,0,0]=4 4654 B9R1.75 CCCC(=O)NC1CC1 527a_100000212008_100000211992 [0,1,0,1,0,0|2,0,0]=4 4655 B9R1.75 CCNC(=O)CC1CC1 11a_100015525214_100000738066 [0,1,0,1,0,0|2,0,0]=4 4656 B9R1.75 CCNC(=O)CC1CC1 240690a_100015525214_100000738066 [0,1,0,1,0,0|2,0,0]=4 4657 B9R1.75 CCNC(=O)CC1CC1 527a_100015525214_100000738066 [0,1,0,1,0,0|2,0,0]=4 4658 B9R1.75 CCNC(=O)NC1CC1 2708a_100000212008_100015525214 [0,1,0,1,0,0|2,0,0]=4 4659 B9R1.75 CCNC(=O)NC1CC1 2708a_100015525214_100000212008 [0,1,0,1,0,0|2,0,0]=4 4660 B9R1.75 CCNC(=O)NC1CC1 273464a_100000212008_100015525214 [0,1,0,1,0,0|2,0,0]=4 4661 B9R1.75 CCNC(=O)NC1CC1 273464a_100015525214_100000212008 [0,1,0,1,0,0|2,0,0]=4 4662 B9R1.75 CCNC(=O)NC1CC1 512a_100000212008_100015525214 [0,1,0,1,0,0|2,0,0]=4 4663 B9R1.75 CNCC(=O)NC1CC1 2230a_100000702991_200000210301 [0,1,0,1,0,0|2,0,0]=4 4664 B9R1.75 CNCC(=O)NC1CC1 2230a_106832991635_100000182950 [0,1,0,1,0,0|2,0,0]=4 4665 B9R1.75 CNCC(=O)NC1CC1 34a_100102657272_100000182950 [0,1,0,1,0,0|2,0,0]=4 4666 B9R1.75 CNCC(=O)NC1CC1 7a_106832991635_100000182950 [0,1,0,1,0,0|2,0,0]=4 4667 B9R1.75 COCC(=O)CC1CC1 1458a_100000210968_100000742324 [0,1,0,1,0,0|1,1,0]=4 4668 B9R1.75 COCC(=O)CC1CO1 1458a_100000210968_100011216344 [0,1,0,1,0,0|1,1,0]=4 4669 B9R1.75 COCC(=O)CC1CS1 1458a_100000210968_100000031435 [0,1,0,1,0,0|1,1,0]=4 4670 B9R1.75 COCC(=O)C[C@@H]1CO1 1458a_100000210968_100000745022 [0,1,0,1,0,0|1,1,0]=4 4671 B9R1.75 COCC(=O)NC1CC1 1626a_100000212008_100000210968 [0,1,0,1,0,0|1,1,0]=4 4672 B9R1.75 COCC(=O)NC1CC1 240690a_100000212008_100000210968 [0,1,0,1,0,0|1,1,0]=4 4673 B9R1.75 COCC(=O)NC1CC1 34a_100138415774_100000182950 [0,1,0,1,0,0|1,1,0]=4 4674 B9R1.75 COCC(=O)NC1CC1 527a_100000212008_100000210968 [0,1,0,1,0,0|1,1,0]=4 4675 B9R1.75 CSCC(=O)CC1CC1 1458a_100000184570_100000742324 [0,1,0,1,0,0|1,0,0]=3 4676 B9R1.75 CSCC(=O)CC1CO1 1458a_100000184570_100011216344 [0,1,0,1,0,0|1,0,0]=3 4677 B9R1.75 CSCC(=O)CC1CS1 1458a_100000184570_100000031435 [0,1,0,1,0,0|1,0,0]=3 4678 B9R1.75 CSCC(=O)C[C@@H]1CO1 1458a_100000184570_100000745022 [0,1,0,1,0,0|1,0,0]=3 4679 B9R1.75 CSCC(=O)NC1CC1 1626a_100000212008_100000184570 [0,1,0,1,0,0|1,0,0]=3 4680 B9R1.75 CSCC(=O)NC1CC1 240690a_100000212008_100000184570 [0,1,0,1,0,0|1,0,0]=3 4681 B9R1.75 CSCC(=O)NC1CC1 527a_100000212008_100000184570 [0,1,0,1,0,0|1,0,0]=3 4682 B9R1.75 CSCC(=O)NC1CC1 62a_100000182950_200000210301 [0,1,0,1,0,0|1,0,0]=3 4683 B9R1.75 CSCC(=O)NC1CC1 62a_200000210301_100000182950 [0,1,0,1,0,0|1,0,0]=3 4684 B9R1.75 O=C(CCO)CC1CS1 1458a_100011216618_100000031435 [0,1,0,1,0,0|2,0,0]=4 4685 B9R1.75 [13CH3]NCC(=O)NC1CC1 2230a_100000702991_200025704644 [0,1,0,1,0,0|2,0,0]=4 4686 B9R1.75 [13CH3]SCC(=O)NC1CC1 62a_100000182950_200025704644 [0,1,0,1,0,0|1,0,0]=3 4687 B9R1.75 [13CH3]SCC(=O)NC1CC1 62a_200025704644_100000182950 [0,1,0,1,0,0|1,0,0]=3 4688 B9R1.100 C/C=C/CC(=O)C1CC1 1458a_100000210395_100102629194 [0,1,0,1,0,0|2,0,0]=4 4689 B9R1.100 CC#CCC(=O)C1CC1 1458a_100000210395_100000748600 [0,1,0,1,0,0|2,0,0]=4 4690 B9R1.100 CC=CCC(=O)C1CC1 1458a_100000210395_100000070051 [0,1,0,1,0,0|2,0,0]=4 4691 B9R1.100 CCCCC(=O)C1CC1 1458a_100000210395_100000210211 [0,1,0,1,0,0|2,0,0]=4 4692 B9R1.100 CCCCC(=O)C1CO1 1458a_100000701028_100000210211 [0,1,0,1,0,0|1,1,0]=4 4693 B9R1.100 CCCNC(=O)C1CC1 11a_100020643023_100000210395 [0,1,0,1,0,0|2,0,0]=4 4694 B9R1.100 CCCNC(=O)C1CC1 1626a_100020643023_100000210395 [0,1,0,1,0,0|2,0,0]=4 4695 B9R1.100 CCCNC(=O)C1CC1 240690a_100020643023_100000210395 [0,1,0,1,0,0|2,0,0]=4 4696 B9R1.100 CCCNC(=O)C1CC1 527a_100020643023_100000210395 [0,1,0,1,0,0|2,0,0]=4 4697 B9R1.100 CCCNC(=O)C1CO1 11a_100020643023_100000701028 [0,1,0,1,0,0|1,1,0]=4 4698 B9R1.100 CCCNC(=O)C1CO1 1626a_100020643023_100000701028 [0,1,0,1,0,0|1,1,0]=4 4699 B9R1.100 CCCNC(=O)C1CO1 240690a_100020643023_100000701028 [0,1,0,1,0,0|1,1,0]=4 4700 B9R1.100 CCCNC(=O)C1CO1 527a_100020643023_100000701028 [0,1,0,1,0,0|1,1,0]=4 4701 B9R1.100 CCNCC(=O)C1CC1 2230a_100015525214_100000746382 [0,1,0,1,0,0|2,0,0]=4 4702 B9R1.100 CCNNC(=O)C1CC1 22a_100000756455_100000210395 [0,1,0,1,0,0|2,0,0]=4 4703 B9R1.100 CCNNC(=O)C1CO1 22a_100000756455_100000701028 [0,1,0,1,0,0|1,1,0]=4 4704 B9R1.100 CCOCC(=O)C1CC1 34a_100000686663_100000210202 [0,1,0,1,0,0|1,0,0]=3 4705 B9R1.100 CCOCC(=O)C1CC1 34a_100121572206_100000746382 [0,1,0,1,0,0|1,0,0]=3 4706 B9R1.100 CCSCC(=O)C1CC1 62a_100000210202_100000746382 [0,1,0,1,0,0|1,0,0]=3 4707 B9R1.100 CCSCC(=O)C1CC1 62a_100000746382_100000210202 [0,1,0,1,0,0|1,0,0]=3 4708 B9R1.100 CNCOC(=O)C1CC1 2230a_106832991635_100000140896 [0,1,0,1,0,0|1,0,0]=3 4709 B9R1.100 CNCOC(=O)C1CC1 34a_100102657272_100000140896 [0,1,0,1,0,0|1,0,0]=3 4710 B9R1.100 COCCC(=O)C1CC1 1458a_100000210395_100000233755 [0,1,0,1,0,0|1,1,0]=4 4711 B9R1.100 COCCC(=O)C1CO1 1458a_100000701028_100000233755 [0,1,0,1,0,0|1,1,0]=4 4712 B9R1.100 COCOC(=O)C1CC1 34a_100138415774_100000140896 [0,1,0,1,0,0|1,0,0]=3 4713 B9R1.100 CSCCC(=O)C1CC1 1458a_100000210395_100000751147 [0,1,0,1,0,0|1,0,0]=3 4714 B9R1.100 CSCCC(=O)C1CO1 1458a_100000701028_100000751147 [0,1,0,1,0,0|1,1,0]=4 4715 B9R1.100 CSCOC(=O)C1CC1 62a_100000140896_200000210301 [0,1,0,1,0,0|1,0,0]=3 4716 B9R1.100 CSCOC(=O)C1CC1 62a_200000210301_100000140896 [0,1,0,1,0,0|1,0,0]=3 4717 B9R1.100 O=C(CCCF)C1CC1 1458a_100000210395_100011934791 [0,1,0,1,0,0|2,0,0]=4 4718 B9R1.100 O=C(CCCF)C1CO1 1458a_100000701028_100011934791 [0,1,0,1,0,0|1,1,0]=4 4719 B9R1.100 O=C(CCCO)C1CC1 1458a_100000210395_100011215043 [0,1,0,1,0,0|2,0,0]=4 4720 B9R1.100 O=C(CCCO)C1CO1 1458a_100000701028_100011215043 [0,1,0,1,0,0|1,1,0]=4 4721 B9R1.100 O=C(COCF)C1CC1 34a_100000686663_100015361967 [0,1,0,1,0,0|1,1,0]=4 4722 B9R1.100 O=C(CSCF)C1CC1 62a_100000746382_100015361967 [0,1,0,1,0,0|1,0,0]=3 4723 B9R1.100 O=C(CSCF)C1CC1 62a_100015361967_100000746382 [0,1,0,1,0,0|1,0,0]=3 4724 B9R1.100 O=C(NCCF)C1CC1 11a_100000724931_100000210395 [0,1,0,1,0,0|2,0,0]=4 4725 B9R1.100 O=C(NCCF)C1CC1 1626a_100000724931_100000210395 [0,1,0,1,0,0|2,0,0]=4 4726 B9R1.100 O=C(NCCF)C1CC1 240690a_100000724931_100000210395 [0,1,0,1,0,0|2,0,0]=4 4727 B9R1.100 O=C(NCCF)C1CC1 527a_100000724931_100000210395 [0,1,0,1,0,0|2,0,0]=4 4728 B9R1.100 O=C(NCCF)C1CO1 11a_100000724931_100000701028 [0,1,0,1,0,0|1,1,0]=4 4729 B9R1.100 O=C(NCCF)C1CO1 1626a_100000724931_100000701028 [0,1,0,1,0,0|1,1,0]=4 4730 B9R1.100 O=C(NCCF)C1CO1 240690a_100000724931_100000701028 [0,1,0,1,0,0|1,1,0]=4 4731 B9R1.100 O=C(NCCF)C1CO1 527a_100000724931_100000701028 [0,1,0,1,0,0|1,1,0]=4 4732 B9R1.100 O=C(NCCO)C1CC1 240690a_100000210304_100000210395 [0,1,0,1,0,0|2,0,0]=4 4733 B9R1.100 O=C(NCCO)C1CC1 527a_100000210304_100000210395 [0,1,0,1,0,0|2,0,0]=4 4734 B9R1.100 O=C(NCCO)C1CO1 240690a_100000210304_100000701028 [0,1,0,1,0,0|1,1,0]=4 4735 B9R1.100 O=C(NCCO)C1CO1 527a_100000210304_100000701028 [0,1,0,1,0,0|1,1,0]=4 4736 B9R1.100 [13CH3]SCOC(=O)C1CC1 62a_100000140896_200025704644 [0,1,0,1,0,0|1,0,0]=3 4737 B9R1.100 [13CH3]SCOC(=O)C1CC1 62a_200025704644_100000140896 [0,1,0,1,0,0|1,0,0]=3 4738 B9R1.117 CC1(CSC1)OCCF 7a_100016018533_100011217306 [0,1,0,1,0,0|1,0,1]=4 4739 B9R1.117 CC1(CSC1)OCCO 7a_100016018533_100000211926 [0,1,0,1,0,0|1,0,1]=4 4740 B9R1.117 CCCOC1(CSC1)C 7a_100016018533_100000210303 [0,1,0,1,0,0|1,0,1]=4 4741 B9R1.117 CCOCC1(CSC1)C 34a_100000732658_100000210202 [0,1,0,1,0,0|1,0,1]=4 4742 B9R1.117 CCOCC1(CSC1)C 7a_100000732658_100000210202 [0,1,0,1,0,0|1,0,1]=4 4743 B9R1.134 CC1(OCCO1)CS[13CH3] 62a_100009818610_200025704644 [0,1,0,1,0,0|0,0,2]=4 4744 B9R1.134 CC1(OCCO1)CS[13CH3] 62a_200025704644_100009818610 [0,1,0,1,0,0|0,0,2]=4 4745 B9R1.134 CSCC1(OCCO1)C 62a_100009818610_200000210301 [0,1,0,1,0,0|0,0,2]=4 4746 B9R1.134 CSCC1(OCCO1)C 62a_200000210301_100009818610 [0,1,0,1,0,0|0,0,2]=4 4747 B9R1.183 CCCC(=O)C1CC1C 1458a_100000211227_100000210303 [0,1,0,1,0,0|2,0,0]=4 4748 B9R1.183 CCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000210303 [0,1,0,1,0,0|2,0,0]=4 4749 B9R1.183 CCNC(=O)C1CC1C 11a_100015525214_100000211227 [0,1,0,1,0,0|2,0,0]=4 4750 B9R1.183 CCNC(=O)C1CC1C 527a_100015525214_100000211227 [0,1,0,1,0,0|2,0,0]=4 4751 B9R1.183 CCNC(=O)[C@@H]1C[C@@H]1F 11a_100015525214_100015396687 [0,1,0,1,0,0|2,0,0]=4 4752 B9R1.183 CCNC(=O)[C@@H]1C[C@@H]1F 240690a_100015525214_100015396687 [0,1,0,1,0,0|2,0,0]=4 4753 B9R1.183 CCNC(=O)[C@@H]1C[C@@H]1F 527a_100015525214_100015396687 [0,1,0,1,0,0|2,0,0]=4 4754 B9R1.3 CC1C(=O)NCCN1C 2230a_100000750721_200000210301 [0,1,0,1,0,0|2,0,0]=4 4755 B9R1.3 CC1C(=O)NCCN1C 269982a_100000750721_200000210301 [0,1,0,1,0,0|2,0,0]=4 4756 B9R1.3 CC1C(=O)NCCN1C 34a_100000750721_200000210301 [0,1,0,1,0,0|2,0,0]=4 4757 B9R1.3 CC1C(=O)NCCN1[13CH3] 2230a_100000750721_200025704644 [0,1,0,1,0,0|2,0,0]=4 4758 B9R1.3 CC1C(=O)NCCN1[13CH3] 269982a_100000750721_200025704644 [0,1,0,1,0,0|2,0,0]=4 4759 B9R1.3 CC1C(=O)NCCN1[13CH3] 34a_100000750721_200025704644 [0,1,0,1,0,0|2,0,0]=4 4760 B9R1.74 CCCC(=O)C1(CC1)C 1458a_100000756474_100000210303 [0,1,0,1,0,0|2,0,0]=4 4761 B9R1.74 CCCC(=O)C1(CC1)F 1458a_100000055089_100000210303 [0,1,0,1,0,0|2,0,0]=4 4762 B9R1.74 CCCC(=O)C1(CC1)O 1458a_100000241761_100000210303 [0,1,0,1,0,0|2,0,0]=4 4763 B9R1.74 CCNC(=O)C1(CC1)C 11a_100015525214_100000756474 [0,1,0,1,0,0|2,0,0]=4 4764 B9R1.74 CCNC(=O)C1(CC1)C 240690a_100015525214_100000756474 [0,1,0,1,0,0|2,0,0]=4 4765 B9R1.74 CCNC(=O)C1(CC1)C 527a_100015525214_100000756474 [0,1,0,1,0,0|2,0,0]=4 4766 B9R1.74 CCNC(=O)C1(CC1)F 11a_100015525214_100000055089 [0,1,0,1,0,0|2,0,0]=4 4767 B9R1.74 CCNC(=O)C1(CC1)F 240690a_100015525214_100000055089 [0,1,0,1,0,0|2,0,0]=4 4768 B9R1.74 CCNC(=O)C1(CC1)F 527a_100015525214_100000055089 [0,1,0,1,0,0|2,0,0]=4 4769 B9R1.74 CCNC(=O)C1(CC1)O 240690a_100015525214_100000241761 [0,1,0,1,0,0|2,0,0]=4 4770 B9R1.101 CCC(C)C(=O)C1CC1 1458a_100000210395_100000758301 [0,1,0,1,0,0|2,0,0]=4 4771 B9R1.101 CCC(C)C(=O)C1CO1 1458a_100000701028_100000758301 [0,1,0,1,0,0|1,1,0]=4 4772 B9R1.101 CCN(C)C(=O)C1CC1 11a_100000225621_100000210395 [0,1,0,1,0,0|2,0,0]=4 4773 B9R1.101 CCN(C)C(=O)C1CC1 1626a_100000225621_100000210395 [0,1,0,1,0,0|2,0,0]=4 4774 B9R1.101 CCN(C)C(=O)C1CC1 240690a_100000225621_100000210395 [0,1,0,1,0,0|2,0,0]=4 4775 B9R1.101 CCN(C)C(=O)C1CC1 527a_100000225621_100000210395 [0,1,0,1,0,0|2,0,0]=4 4776 B9R1.101 CCN(C)C(=O)C1CO1 11a_100000225621_100000701028 [0,1,0,1,0,0|1,1,0]=4 4777 B9R1.101 CCN(C)C(=O)C1CO1 1626a_100000225621_100000701028 [0,1,0,1,0,0|1,1,0]=4 4778 B9R1.101 CCN(C)C(=O)C1CO1 240690a_100000225621_100000701028 [0,1,0,1,0,0|1,1,0]=4 4779 B9R1.101 CCN(C)C(=O)C1CO1 527a_100000225621_100000701028 [0,1,0,1,0,0|1,1,0]=4 4780 B9R1.132 CN1CCC(C1=O)S[13CH3] 62a_100000755940_200025704644 [0,1,0,1,0,0|1,0,0]=3 4781 B9R1.132 CN1CCC(C1=O)S[13CH3] 62a_200025704644_100000755940 [0,1,0,1,0,0|1,0,0]=3 4782 B9R1.132 CNC1CCN(C1=O)C 2230a_106832991635_100000755940 [0,1,0,1,0,0|2,0,0]=4 4783 B9R1.132 CNC1CCN(C1=O)C 34a_100102657272_100000755940 [0,1,0,1,0,0|2,0,0]=4 4784 B9R1.132 CNC1CCN(C1=O)C 7a_106832991635_100000755940 [0,1,0,1,0,0|2,0,0]=4 4785 B9R1.132 COC1CCN(C1=O)C 34a_100138415774_100000755940 [0,1,0,1,0,0|1,1,0]=4 4786 B9R1.132 CSC1CCN(C1=O)C 62a_100000755940_200000210301 [0,1,0,1,0,0|1,0,0]=3 4787 B9R1.132 CSC1CCN(C1=O)C 62a_200000210301_100000755940 [0,1,0,1,0,0|1,0,0]=3 4788 B9R1.13 CC(C)OC1CCSC1 7a_100011232664_100000210206 [0,1,0,1,0,0|1,0,1]=4 4789 B9R1.41 CC(=O)C1CCCC1=O 1458a_100000070787_100000211823 [0,1,0,1,0,0|2,0,0]=4 4790 B9R1.41 CC(=O)C1CCOC1=O 1458a_100000070787_100000211211 [0,1,0,1,0,0|1,0,0]=3 4791 B9R1.41 CN(C)C1CCCC1=O 2230a_100102631434_100000211823 [0,1,0,1,0,0|2,0,0]=4 4792 B9R1.41 CN(C)C1CCCC1=O 269982a_100102631434_100000211823 [0,1,0,1,0,0|2,0,0]=4 4793 B9R1.41 CN(C)C1CCOC1=O 2230a_100102631434_100000211211 [0,1,0,1,0,0|1,0,0]=3 4794 B9R1.41 CN(C)C1CCOC1=O 269982a_100102631434_100000211211 [0,1,0,1,0,0|1,0,0]=3 4795 B9R1.137 C=C(C)CC(=O)C1CC1 1458a_100000210395_100000748629 [0,1,0,1,0,0|2,0,0]=4 4796 B9R1.137 CC(=O)CC(=O)C1CC1 1458a_100000070787_100000746382 [0,1,0,1,0,0|2,0,0]=4 4797 B9R1.137 CC(C)CC(=O)C1CC1 1458a_100000210395_100000210624 [0,1,0,1,0,0|2,0,0]=4 4798 B9R1.137 CC(C)CC(=O)C1CO1 1458a_100000701028_100000210624 [0,1,0,1,0,0|1,1,0]=4 4799 B9R1.137 CC(C)NC(=O)C1CC1 11a_100138425928_100000210395 [0,1,0,1,0,0|2,0,0]=4 4800 B9R1.137 CC(C)NC(=O)C1CC1 1626a_100138425928_100000210395 [0,1,0,1,0,0|2,0,0]=4 4801 B9R1.137 CC(C)NC(=O)C1CC1 240690a_100138425928_100000210395 [0,1,0,1,0,0|2,0,0]=4 4802 B9R1.137 CC(C)NC(=O)C1CC1 527a_100138425928_100000210395 [0,1,0,1,0,0|2,0,0]=4 4803 B9R1.137 CC(C)NC(=O)C1CO1 11a_100138425928_100000701028 [0,1,0,1,0,0|1,1,0]=4 4804 B9R1.137 CC(C)NC(=O)C1CO1 1626a_100138425928_100000701028 [0,1,0,1,0,0|1,1,0]=4 4805 B9R1.137 CC(C)NC(=O)C1CO1 240690a_100138425928_100000701028 [0,1,0,1,0,0|1,1,0]=4 4806 B9R1.137 CC(C)NC(=O)C1CO1 527a_100138425928_100000701028 [0,1,0,1,0,0|1,1,0]=4 4807 B9R1.137 CC(O)CC(=O)C1CC1 1458a_100000210395_100011218427 [0,1,0,1,0,0|2,0,0]=4 4808 B9R1.137 CC(O)CC(=O)C1CO1 1458a_100000701028_100011218427 [0,1,0,1,0,0|1,1,0]=4 4809 B9R1.137 CN(C)CC(=O)C1CC1 2230a_100102631434_100000746382 [0,1,0,1,0,0|2,0,0]=4 4810 B9R1.137 CN(C)CC(=O)C1CC1 269982a_100102631434_100000746382 [0,1,0,1,0,0|2,0,0]=4 4811 B9R1.171 CC(C)OC1(CSC1)C 7a_100016018533_100000210206 [0,1,0,1,0,0|1,0,1]=4