0 B7R0.7 C/C=C/C(C)OCC 34a_200102604097_100000210202 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.7 CC#CC(=O)CCC 1458a_100000763181_100000210303 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.7 CC#CC(C)OCC 34a_100011216543_100000210202 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.7 CC=CC(=O)CCC 1458a_100000210699_100000210303 [0,0,0,0,0,0|3,0,1]=4 4 B7R0.7 CC=CC(=O)NCC 11a_100015525214_100000210699 [0,0,0,0,0,0|3,0,1]=4 5 B7R0.7 CC=CC(=O)NCC 240690a_100015525214_100000210699 [0,0,0,0,0,0|3,0,1]=4 6 B7R0.7 CCCC(=O)CCC 1458a_100000211992_100000210303 [0,0,0,0,0,0|3,0,0]=3 7 B7R0.7 CCCC(=O)CCF 1458a_100000211992_100011217306 [0,0,0,0,0,0|4,0,0]=4 8 B7R0.7 CCCC(=O)CCO 1458a_100000211992_100000211926 [0,0,0,0,0,0|4,0,0]=4 9 B7R0.7 CCCC(=O)CCO 1458a_100011216618_100000210303 [0,0,0,0,0,0|4,0,0]=4 10 B7R0.7 CCCC(=O)CNC 2230a_106832991635_100000747444 [0,0,0,0,0,0|4,0,0]=4 11 B7R0.7 CCCC(=O)CNC 7a_106832991635_100000747444 [0,0,0,0,0,0|4,0,0]=4 12 B7R0.7 CCCC(=O)COC 1458a_100000210968_100000210303 [0,0,0,0,0,0|4,0,0]=4 13 B7R0.7 CCCC(=O)CSC 1458a_100000184570_100000210303 [0,0,0,0,0,0|4,0,0]=4 14 B7R0.7 CCCC(=O)CSC 62a_100000747444_200000210301 [0,0,0,0,0,0|4,0,0]=4 15 B7R0.7 CCCC(=O)CSC 62a_200000210301_100000747444 [0,0,0,0,0,0|4,0,0]=4 16 B7R0.7 CCCC(=O)CS[13CH3] 62a_100000747444_200025704644 [0,0,0,0,0,0|4,0,0]=4 17 B7R0.7 CCCC(=O)CS[13CH3] 62a_200025704644_100000747444 [0,0,0,0,0,0|4,0,0]=4 18 B7R0.7 CCCC(=O)NCC 11a_100015525214_100000211992 [0,0,0,0,0,0|3,0,0]=3 19 B7R0.7 CCCC(=O)NCC 240690a_100015525214_100000211992 [0,0,0,0,0,0|3,0,0]=3 20 B7R0.7 CCCC(=O)NCC 527a_100015525214_100000211992 [0,0,0,0,0,0|3,0,0]=3 21 B7R0.7 CCCC(=O)NNC 22a_100016993582_100000211992 [0,0,0,0,0,0|4,0,0]=4 22 B7R0.7 CCCC(C)NCC 2230a_100000741246_100000210202 [0,0,0,0,0,0|4,0,0]=4 23 B7R0.7 CCCC(C)NCC 2230a_100015525214_100000766640 [0,0,0,0,0,0|4,0,0]=4 24 B7R0.7 CCCC(C)NCC 270004a_100015525214_100000211909 [0,0,0,0,0,0|4,0,0]=4 25 B7R0.7 CCCC(C)OCC 34a_100000764384_100000210202 [0,0,0,0,0,0|3,0,0]=3 26 B7R0.7 CCCC(C)OCC 34a_100121572206_100000766640 [0,0,0,0,0,0|3,0,0]=3 27 B7R0.7 CCCC(C)OCC 7a_100000764384_100000210202 [0,0,0,0,0,0|3,0,0]=3 28 B7R0.7 CCCC(C)OCF 34a_100000764384_100015361967 [0,0,0,0,0,0|4,0,0]=4 29 B7R0.7 CCCC(C)OCF 7a_100000764384_100015361967 [0,0,0,0,0,0|4,0,0]=4 30 B7R0.7 CCCC(C)SCC 62a_100000210202_100000766640 [0,0,0,0,0,0|3,1,0]=4 31 B7R0.7 CCCC(C)SCC 62a_100000766640_100000210202 [0,0,0,0,0,0|3,1,0]=4 32 B7R0.7 CCCN(C)CCC 2230a_100000210455_200000210301 [0,0,0,0,0,0|3,1,0]=4 33 B7R0.7 CCCN(C)CCC 2230a_100000747261_100000210303 [0,0,0,0,0,0|3,1,0]=4 34 B7R0.7 CCCN(C)CCC 269982a_100000210455_200000210301 [0,0,0,0,0,0|3,1,0]=4 35 B7R0.7 CCCN(C)CCC 269982a_100000747261_100000210303 [0,0,0,0,0,0|3,1,0]=4 36 B7R0.7 CCCN([13CH3])CCC 2230a_100000210455_200025704644 [0,0,0,0,0,0|3,1,0]=4 37 B7R0.7 CCCN([13CH3])CCC 269982a_100000210455_200025704644 [0,0,0,0,0,0|3,1,0]=4 38 B7R0.7 CCNC(=O)CCO 240690a_100015525214_100011216618 [0,0,0,0,0,0|4,0,0]=4 39 B7R0.7 CCNC(=O)CNC 2230a_100016988866_200000210301 [0,0,0,0,0,0|4,0,0]=4 40 B7R0.7 CCNC(=O)CNC 2230a_106832991635_100000183381 [0,0,0,0,0,0|4,0,0]=4 41 B7R0.7 CCNC(=O)CNC 34a_100102657272_100000183381 [0,0,0,0,0,0|4,0,0]=4 42 B7R0.7 CCNC(=O)CNC 7a_106832991635_100000183381 [0,0,0,0,0,0|4,0,0]=4 43 B7R0.7 CCNC(=O)CN[13CH3] 2230a_100016988866_200025704644 [0,0,0,0,0,0|4,0,0]=4 44 B7R0.7 CCNC(=O)COC 11a_100015525214_100000210968 [0,0,0,0,0,0|4,0,0]=4 45 B7R0.7 CCNC(=O)COC 240690a_100015525214_100000210968 [0,0,0,0,0,0|4,0,0]=4 46 B7R0.7 CCNC(=O)COC 34a_100138415774_100000183381 [0,0,0,0,0,0|4,0,0]=4 47 B7R0.7 CCNC(=O)COC 527a_100015525214_100000210968 [0,0,0,0,0,0|4,0,0]=4 48 B7R0.7 CCNC(=O)CSC 11a_100015525214_100000184570 [0,0,0,0,0,0|4,0,0]=4 49 B7R0.7 CCNC(=O)CSC 240690a_100015525214_100000184570 [0,0,0,0,0,0|4,0,0]=4 50 B7R0.7 CCNC(=O)CSC 527a_100015525214_100000184570 [0,0,0,0,0,0|4,0,0]=4 51 B7R0.7 CCNC(=O)CSC 62a_100000183381_200000210301 [0,0,0,0,0,0|4,0,0]=4 52 B7R0.7 CCNC(=O)CSC 62a_200000210301_100000183381 [0,0,0,0,0,0|4,0,0]=4 53 B7R0.7 CCNC(=O)CS[13CH3] 62a_100000183381_200025704644 [0,0,0,0,0,0|4,0,0]=4 54 B7R0.7 CCNC(=O)CS[13CH3] 62a_200025704644_100000183381 [0,0,0,0,0,0|4,0,0]=4 55 B7R0.7 CCNC(=O)NCC 2708a_100015525214_100015525214 [0,0,0,0,0,0|3,0,0]=3 56 B7R0.7 CCNC(=O)NCC 273464a_100015525214_100015525214 [0,0,0,0,0,0|3,0,0]=3 57 B7R0.7 CCNC(=O)NCC 512a_100015525214_100015525214 [0,0,0,0,0,0|3,0,0]=3 58 B7R0.7 CCNC(=O)NNC 273464a_100015525214_100016993582 [0,0,0,0,0,0|4,0,0]=4 59 B7R0.7 CCNC(=O)NNC 512a_100015525214_100016993582 [0,0,0,0,0,0|4,0,0]=4 60 B7R0.7 CCNC(=O)NNC 512a_100016993582_100015525214 [0,0,0,0,0,0|4,0,0]=4 61 B7R0.7 CCOC(=O)CNC 2230a_106832991635_100000188475 [0,0,0,0,0,0|3,0,0]=3 62 B7R0.7 CCOC(=O)CNC 34a_100102657272_100000188475 [0,0,0,0,0,0|3,0,0]=3 63 B7R0.7 CCOC(=O)CNC 7a_106832991635_100000188475 [0,0,0,0,0,0|3,0,0]=3 64 B7R0.7 CCOC(=O)COC 34a_100138415774_100000188475 [0,0,0,0,0,0|3,0,0]=3 65 B7R0.7 CCOC(=O)CSC 62a_100000188475_200000210301 [0,0,0,0,0,0|3,0,0]=3 66 B7R0.7 CCOC(=O)CSC 62a_200000210301_100000188475 [0,0,0,0,0,0|3,0,0]=3 67 B7R0.7 CCOC(=O)CS[13CH3] 62a_100000188475_200025704644 [0,0,0,0,0,0|3,0,0]=3 68 B7R0.7 CCOC(=O)CS[13CH3] 62a_200025704644_100000188475 [0,0,0,0,0,0|3,0,0]=3 69 B7R0.7 CCOC(C)CCBr 34a_100012276601_100000210202 [0,0,0,0,0,0|4,0,0]=4 70 B7R0.7 CCOC(C)CCO 34a_100121572206_100009893172 [0,0,0,0,0,0|4,0,0]=4 71 B7R0.7 CCOC(C)COC 34a_100121572206_100000765312 [0,0,0,0,0,0|4,0,0]=4 72 B7R0.7 CCO[C@H](C)COC 34a_100011934205_100000210202 [0,0,0,0,0,0|4,0,0]=4 73 B6R0.1 CC#CC(=O)CC 1458a_100000763181_100000210202 [1,0,0,0,0,0|2,0,1]=4 74 B6R0.1 CC=CC(=O)CC 1458a_100000210699_100000210202 [1,0,0,0,0,0|2,0,1]=4 75 B6R0.1 CCC(=O)CCF 1458a_100000210414_100011217306 [1,0,0,0,0,0|3,0,0]=4 76 B6R0.1 CCC(=O)CCO 1458a_100000210414_100000211926 [1,0,0,0,0,0|3,0,0]=4 77 B6R0.1 CCC(=O)CCO 1458a_100011216618_100000210202 [1,0,0,0,0,0|3,0,0]=4 78 B6R0.1 CCC(=O)CNC 7a_106832991635_100000747405 [1,0,0,0,0,0|3,0,0]=4 79 B6R0.1 CCC(=O)COC 1458a_100000210968_100000210202 [1,0,0,0,0,0|3,0,0]=4 80 B6R0.1 CCC(=O)COC 34a_100000725409_200000210301 [1,0,0,0,0,0|3,0,0]=4 81 B6R0.1 CCC(=O)CO[13CH3] 34a_100000725409_200025704644 [1,0,0,0,0,0|3,0,0]=4 82 B6R0.1 CCC(=O)CSC 1458a_100000184570_100000210202 [1,0,0,0,0,0|3,0,0]=4 83 B6R0.1 CCC(=O)CSC 62a_100000747405_200000210301 [1,0,0,0,0,0|3,0,0]=4 84 B6R0.1 CCC(=O)CSC 62a_200000210301_100000747405 [1,0,0,0,0,0|3,0,0]=4 85 B6R0.1 CCC(=O)CS[13CH3] 62a_100000747405_200025704644 [1,0,0,0,0,0|3,0,0]=4 86 B6R0.1 CCC(=O)CS[13CH3] 62a_200025704644_100000747405 [1,0,0,0,0,0|3,0,0]=4 87 B6R0.1 CCC(=O)NNC 22a_100016993582_100000210414 [1,0,0,0,0,0|3,0,0]=4 88 B6R0.1 CCC(C)OCF 7a_100000210228_100015361967 [1,0,0,0,0,0|3,0,0]=4 89 B6R0.1 CCCC(=O)CC 1458a_100000210414_100000210303 [1,0,0,0,0,0|2,0,0]=3 90 B6R0.1 CCCC(=O)CC 1458a_100000211992_100000210202 [1,0,0,0,0,0|2,0,0]=3 91 B6R0.1 CCCC(=O)CF 1458a_100000211992_100015361967 [1,0,0,0,0,0|3,0,0]=4 92 B6R0.1 CCCC(=O)CO 1458a_100000210174_100000210303 [1,0,0,0,0,0|3,0,0]=4 93 B6R0.1 CCCC(=O)NC 11a_106832991635_100000211992 [1,0,0,0,0,0|3,0,0]=4 94 B6R0.1 CCCC(=O)NC 1626a_100102657272_100000211992 [1,0,0,0,0,0|3,0,0]=4 95 B6R0.1 CCCC(=O)NC 240690a_100102657272_100000211992 [1,0,0,0,0,0|3,0,0]=4 96 B6R0.1 CCCC(=O)NC 527a_100102657272_100000211992 [1,0,0,0,0,0|3,0,0]=4 97 B6R0.1 CCCC(C)OC 34a_100000764384_200000210301 [1,0,0,0,0,0|3,0,0]=4 98 B6R0.1 CCCC(C)OC 34a_100138415774_100000766640 [1,0,0,0,0,0|3,0,0]=4 99 B6R0.1 CCCC(C)OC 7a_100000764384_200000210301 [1,0,0,0,0,0|3,0,0]=4 100 B6R0.1 CCCC(C)O[13CH3] 34a_100000764384_200025704644 [1,0,0,0,0,0|3,0,0]=4 101 B6R0.1 CCCC(C)O[13CH3] 7a_100000764384_200025704644 [1,0,0,0,0,0|3,0,0]=4 102 B6R0.1 CCCN(C)CC 2230a_100000225621_100000210303 [1,0,0,0,0,0|2,1,0]=4 103 B6R0.1 CCCN(C)CC 2230a_100000226822_200000210301 [1,0,0,0,0,0|2,1,0]=4 104 B6R0.1 CCCN(C)CC 2230a_100000747261_100000210202 [1,0,0,0,0,0|2,1,0]=4 105 B6R0.1 CCCN(C)CC 269982a_100000225621_100000210303 [1,0,0,0,0,0|2,1,0]=4 106 B6R0.1 CCCN(C)CC 269982a_100000226822_200000210301 [1,0,0,0,0,0|2,1,0]=4 107 B6R0.1 CCCN(C)CC 269982a_100000747261_100000204670 [1,0,0,0,0,0|2,1,0]=4 108 B6R0.1 CCCN([13CH3])CC 2230a_100000226822_200025704644 [1,0,0,0,0,0|2,1,0]=4 109 B6R0.1 CCCN([13CH3])CC 269982a_100000226822_200025704644 [1,0,0,0,0,0|2,1,0]=4 110 B6R0.1 CCNC(=O)CC 11a_100015525214_100000210414 [1,0,0,0,0,0|2,0,0]=3 111 B6R0.1 CCNC(=O)CC 240690a_100015525214_100000210414 [1,0,0,0,0,0|2,0,0]=3 112 B6R0.1 CCNC(=O)CC 527a_100015525214_100000210414 [1,0,0,0,0,0|2,0,0]=3 113 B6R0.1 CCNC(=O)CO 240690a_100015525214_100000210174 [1,0,0,0,0,0|3,0,0]=4 114 B6R0.1 CCNC(=O)CO 527a_100015525214_100000210174 [1,0,0,0,0,0|3,0,0]=4 115 B6R0.1 CCNC(=O)NC 2708a_100015525214_106832991635 [1,0,0,0,0,0|3,0,0]=4 116 B6R0.1 CCNC(=O)NC 2708a_100102657272_100015525214 [1,0,0,0,0,0|3,0,0]=4 117 B6R0.1 CCNC(=O)NC 273464a_100015525214_100102657272 [1,0,0,0,0,0|3,0,0]=4 118 B6R0.1 CCNC(=O)NC 273464a_100102657272_100015525214 [1,0,0,0,0,0|3,0,0]=4 119 B6R0.1 CCNC(=O)NC 512a_100015525214_100102657272 [1,0,0,0,0,0|3,0,0]=4 120 B6R0.1 CCNC(=O)NC 512a_106832991638_100015525214 [1,0,0,0,0,0|3,0,0]=4 121 B6R0.1 CCNC(C)CC 2230a_100000209981_100000210202 [1,0,0,0,0,0|3,0,0]=4 122 B6R0.1 CCNC(C)CC 2230a_100015525214_100000758301 [1,0,0,0,0,0|3,0,0]=4 123 B6R0.1 CCOC(C)CC 34a_100121572206_100011215416 [1,0,0,0,0,0|2,0,0]=3 124 B6R0.1 CCOC(C)CC 7a_100000210228_100000210202 [1,0,0,0,0,0|2,0,0]=3 125 B6R0.1 CCOC(C)CF 34a_100016041109_100000210202 [1,0,0,0,0,0|3,0,0]=4 126 B6R0.1 CCOC(C)CF 7a_100016041109_100000210202 [1,0,0,0,0,0|3,0,0]=4 127 B6R0.1 CCOC(C)CN 34a_100000210904_100000210202 [1,0,0,0,0,0|3,0,0]=4 128 B6R0.1 CCOC(C)CO 34a_100121572206_100012180447 [1,0,0,0,0,0|3,0,0]=4 129 B6R0.1 CCSC(C)CC 62a_100000210202_100000758301 [1,0,0,0,0,0|2,1,0]=4 130 B6R0.1 CCSC(C)CC 62a_100000758301_100000210202 [1,0,0,0,0,0|2,1,0]=4 131 B6R0.1 CCSC(C)OC 62a_100000210202_100009879195 [1,0,0,0,0,0|2,1,0]=4 132 B6R0.1 CCSC(C)OC 62a_100009879195_100000210202 [1,0,0,0,0,0|2,1,0]=4 133 B6R0.1 CNCC(=O)OC 2230a_106832991635_100000747449 [1,0,0,0,0,0|3,0,0]=4 134 B6R0.1 CNCC(=O)OC 34a_100102657272_100000747449 [1,0,0,0,0,0|3,0,0]=4 135 B6R0.1 CNCC(=O)OC 7a_106832991635_100000747449 [1,0,0,0,0,0|3,0,0]=4 136 B6R0.1 COC(=O)CSC 62a_100000747449_200000210301 [1,0,0,0,0,0|3,0,0]=4 137 B6R0.1 COC(=O)CSC 62a_200000210301_100000747449 [1,0,0,0,0,0|3,0,0]=4 138 B6R0.1 COC(=O)CS[13CH3] 62a_100000747449_200025704644 [1,0,0,0,0,0|3,0,0]=4 139 B6R0.1 COC(=O)CS[13CH3] 62a_200025704644_100000747449 [1,0,0,0,0,0|3,0,0]=4 140 B6R0.1 COCC(=O)OC 34a_100138415774_100000747449 [1,0,0,0,0,0|3,0,0]=4 141 B6R0.6 C/C=C/COCC 34a_100016270725_100000210202 [1,0,0,0,0,0|2,0,1]=4 142 B6R0.6 C/C=C/COCC 34a_100121572206_100102629194 [1,0,0,0,0,0|2,0,1]=4 143 B6R0.6 CC#CCOCC 34a_100000761923_100000210202 [1,0,0,0,0,0|2,0,1]=4 144 B6R0.6 CC#CCOCC 34a_100121572206_100000748600 [1,0,0,0,0,0|2,0,1]=4 145 B6R0.6 CC=CCOCC 34a_100121572206_100000070051 [1,0,0,0,0,0|2,0,1]=4 146 B6R0.6 CCC=NNCC 4a_100000756455_100000210100 [1,0,0,0,0,0|2,1,0]=4 147 B6R0.6 CCCCNCC 2230a_100000102301_100000210202 [1,0,0,0,0,0|3,0,0]=4 148 B6R0.6 CCCCNCC 2230a_100015525214_100000210211 [1,0,0,0,0,0|3,0,0]=4 149 B6R0.6 CCCCNCC 7a_106832991798_100000210202 [1,0,0,0,0,0|3,0,0]=4 150 B6R0.6 CCCCOCC 34a_100000210227_100000210202 [1,0,0,0,0,0|2,0,0]=3 151 B6R0.6 CCCCOCC 34a_100121572206_100000210210 [1,0,0,0,0,0|2,0,0]=3 152 B6R0.6 CCCCOCC 7a_100000210227_100000210202 [1,0,0,0,0,0|2,0,0]=3 153 B6R0.6 CCCCOCF 34a_100000210227_100015361967 [1,0,0,0,0,0|3,0,0]=4 154 B6R0.6 CCCCOCF 7a_100000210227_100015361967 [1,0,0,0,0,0|3,0,0]=4 155 B6R0.6 CCCCSCC 62a_100000210202_100000210210 [1,0,0,0,0,0|2,1,0]=4 156 B6R0.6 CCCCSCC 62a_100000210211_100000210202 [1,0,0,0,0,0|2,1,0]=4 157 B6R0.6 CCCOCCC 34a_100000210258_100000210303 [1,0,0,0,0,0|3,0,0]=4 158 B6R0.6 CCCSCCC 62a_100000210303_100000210303 [1,0,0,0,0,0|3,0,0]=4 159 B6R0.6 CCOCCCBr 34a_100011217188_100000210202 [1,0,0,0,0,0|3,0,0]=4 160 B6R0.6 CCOCCCCl 34a_100000230001_100000210202 [1,0,0,0,0,0|3,0,0]=4 161 B6R0.6 CCOCCCF 34a_100000759539_100000210202 [1,0,0,0,0,0|3,0,0]=4 162 B6R0.6 CCOCCCF 34a_100121572206_100011934791 [1,0,0,0,0,0|3,0,0]=4 163 B6R0.6 CCOCCCN 34a_100000182051_100000210202 [1,0,0,0,0,0|3,0,0]=4 164 B6R0.6 CCOCCCO 34a_100121572206_100000230001 [1,0,0,0,0,0|3,0,0]=4 165 B6R0.6 CCOCCNC 2230a_102516460346_200000210301 [1,0,0,0,0,0|3,0,0]=4 166 B6R0.6 CCOCCNC 2230a_106832991635_100011215890 [1,0,0,0,0,0|3,0,0]=4 167 B6R0.6 CCOCCNC 34a_100102657272_100000210147 [1,0,0,0,0,0|3,0,0]=4 168 B6R0.6 CCOCCNC 34a_102516460346_200000210301 [1,0,0,0,0,0|3,0,0]=4 169 B6R0.6 CCOCCNC 7a_106832991635_100011215890 [1,0,0,0,0,0|3,0,0]=4 170 B6R0.6 CCOCCN[13CH3] 2230a_102516460346_200025704644 [1,0,0,0,0,0|3,0,0]=4 171 B6R0.6 CCOCCN[13CH3] 34a_102516460346_200025704644 [1,0,0,0,0,0|3,0,0]=4 172 B6R0.6 CCOCCOC 34a_100000210136_200000210301 [1,0,0,0,0,0|3,0,0]=4 173 B6R0.6 CCOCCOC 34a_100000210237_100000210202 [1,0,0,0,0,0|3,0,0]=4 174 B6R0.6 CCOCCOC 34a_100121572206_100011201679 [1,0,0,0,0,0|3,0,0]=4 175 B6R0.6 CCOCCOC 34a_100138415774_100000210147 [1,0,0,0,0,0|3,0,0]=4 176 B6R0.6 CCOCCOC 7a_100000210136_200000210301 [1,0,0,0,0,0|3,0,0]=4 177 B6R0.6 CCOCCO[13CH3] 34a_100000210136_200025704644 [1,0,0,0,0,0|3,0,0]=4 178 B6R0.6 CCOCCO[13CH3] 7a_100000210136_200025704644 [1,0,0,0,0,0|3,0,0]=4 179 B6R0.6 CCOCCSC 34a_100000230434_100000210202 [1,0,0,0,0,0|3,0,0]=4 180 B6R0.6 CCOCCSC 34a_100121572206_100000212216 [1,0,0,0,0,0|3,0,0]=4 181 B6R0.6 CCOCCSC 62a_100000210147_200000210301 [1,0,0,0,0,0|3,0,0]=4 182 B6R0.6 CCOCCSC 62a_200000210301_100011215890 [1,0,0,0,0,0|3,0,0]=4 183 B6R0.6 CCOCCSC 7a_100000230434_100000210202 [1,0,0,0,0,0|3,0,0]=4 184 B6R0.6 CCOCCS[13CH3] 62a_100000210147_200025704644 [1,0,0,0,0,0|3,0,0]=4 185 B6R0.6 CCOCCS[13CH3] 62a_200025704644_100011215890 [1,0,0,0,0,0|3,0,0]=4 186 B6R0.6 CCOCSCC 62a_100000210202_100000739092 [1,0,0,0,0,0|1,1,0]=3 187 B6R0.6 CCOCSCC 62a_100000739092_100000210202 [1,0,0,0,0,0|1,1,0]=3 188 B6R0.6 CCOCSCF 62a_100000739092_100015361967 [1,0,0,0,0,0|2,1,0]=4 189 B6R0.6 CCOCSCF 62a_100015361967_100000739092 [1,0,0,0,0,0|2,1,0]=4 190 B8R0.1 C=COC(=O)COCC 34a_100121572206_100000036128 [0,1,0,0,0,0|1,0,2]=4 191 B8R0.1 CCC#CC(=O)CCC 1458a_100011827653_100000210303 [0,1,0,0,0,0|3,0,0]=4 192 B8R0.1 CCC#CC(C)OCC 34a_100000033903_100000210202 [0,1,0,0,0,0|3,0,0]=4 193 B8R0.1 CCC#CC(C)OCC 7a_100000033903_100000210202 [0,1,0,0,0,0|3,0,0]=4 194 B8R0.1 CCC=CC(=O)CCC 1458a_100000212282_100000210303 [0,1,0,0,0,0|3,0,0]=4 195 B8R0.1 CCC=CC(=O)NCC 11a_100015525214_100000212282 [0,1,0,0,0,0|3,0,0]=4 196 B8R0.1 CCC=CC(=O)NCC 240690a_100015525214_100000212282 [0,1,0,0,0,0|3,0,0]=4 197 B8R0.1 CCCC(=O)CCCF 1458a_100000211992_100011934791 [0,1,0,0,0,0|3,0,0]=4 198 B8R0.1 CCCC(=O)CCCO 1458a_100000211992_100011215043 [0,1,0,0,0,0|3,0,0]=4 199 B8R0.1 CCCC(=O)CCOC 1458a_100000211992_100000233755 [0,1,0,0,0,0|3,0,0]=4 200 B8R0.1 CCCC(=O)CCOC 1458a_100000749529_100000210303 [0,1,0,0,0,0|3,0,0]=4 201 B8R0.1 CCCC(=O)CCSC 1458a_100000174002_100000210303 [0,1,0,0,0,0|3,0,0]=4 202 B8R0.1 CCCC(=O)CCSC 1458a_100000211992_100000751147 [0,1,0,0,0,0|3,0,0]=4 203 B8R0.1 CCCC(=O)CNCC 2230a_100015525214_100000747444 [0,1,0,0,0,0|3,0,0]=4 204 B8R0.1 CCCC(=O)COCC 1458a_100000211967_100000210303 [0,1,0,0,0,0|2,0,0]=3 205 B8R0.1 CCCC(=O)CSCC 1458a_100000230394_100000210303 [0,1,0,0,0,0|2,1,0]=4 206 B8R0.1 CCCC(=O)CSCC 62a_100000210202_100000747444 [0,1,0,0,0,0|2,1,0]=4 207 B8R0.1 CCCC(=O)CSCC 62a_100000747444_100000210202 [0,1,0,0,0,0|2,1,0]=4 208 B8R0.1 CCCC(=O)NCCF 11a_100000724931_100000211992 [0,1,0,0,0,0|3,0,0]=4 209 B8R0.1 CCCC(=O)NCCF 1626a_100000724931_100000211992 [0,1,0,0,0,0|3,0,0]=4 210 B8R0.1 CCCC(=O)NCCF 240690a_100000724931_100000211992 [0,1,0,0,0,0|3,0,0]=4 211 B8R0.1 CCCC(=O)NCCF 527a_100000724931_100000211992 [0,1,0,0,0,0|3,0,0]=4 212 B8R0.1 CCCC(=O)NCCO 240690a_100000210304_100000211992 [0,1,0,0,0,0|3,0,0]=4 213 B8R0.1 CCCC(=O)NCCO 527a_100000210304_100000211992 [0,1,0,0,0,0|3,0,0]=4 214 B8R0.1 CCCC(=O)NNCC 22a_100000756455_100000211992 [0,1,0,0,0,0|3,0,0]=4 215 B8R0.1 CCCC(=O)OCNC 2230a_106832991635_100000034017 [0,1,0,0,0,0|2,0,0]=3 216 B8R0.1 CCCC(=O)OCNC 34a_100102657272_100000034017 [0,1,0,0,0,0|2,0,0]=3 217 B8R0.1 CCCC(=O)OCOC 34a_100138415774_100000034017 [0,1,0,0,0,0|2,0,0]=3 218 B8R0.1 CCCC(=O)OCSC 62a_200000210301_100000034017 [0,1,0,0,0,0|2,0,0]=3 219 B8R0.1 CCCC(=O)OCS[13CH3] 62a_200025704644_100000034017 [0,1,0,0,0,0|2,0,0]=3 220 B8R0.1 CCCC(C)COCC 34a_100000688023_100000210202 [0,1,0,0,0,0|3,0,0]=4 221 B8R0.1 CCCC(C)COCC 34a_100121572206_100011216630 [0,1,0,0,0,0|3,0,0]=4 222 B8R0.1 CCCC(C)COCC 7a_100000688023_100000210202 [0,1,0,0,0,0|3,0,0]=4 223 B8R0.1 CCCC(C)OCCBr 34a_100000211926_100000766640 [0,1,0,0,0,0|3,0,0]=4 224 B8R0.1 CCCC(C)OCCF 34a_100000764384_100011217306 [0,1,0,0,0,0|3,0,0]=4 225 B8R0.1 CCCC(C)OCCF 7a_100000764384_100011217306 [0,1,0,0,0,0|3,0,0]=4 226 B8R0.1 CCCC(C)OCCN 34a_100000210304_100000766640 [0,1,0,0,0,0|3,0,0]=4 227 B8R0.1 CCCC(C)OCCO 34a_100000764384_100000211926 [0,1,0,0,0,0|3,0,0]=4 228 B8R0.1 CCCC(C)OCCO 7a_100000764384_100000211926 [0,1,0,0,0,0|3,0,0]=4 229 B8R0.1 CCCC(C)OCSC 34a_100000764384_100011218213 [0,1,0,0,0,0|3,0,0]=4 230 B8R0.1 CCCCC(=O)CCC 1458a_100000210183_100000210303 [0,1,0,0,0,0|3,0,0]=4 231 B8R0.1 CCCCC(=O)CCC 1458a_100000211992_100000210211 [0,1,0,0,0,0|3,0,0]=4 232 B8R0.1 CCCCC(=O)NCC 11a_100015525214_100000210183 [0,1,0,0,0,0|3,0,0]=4 233 B8R0.1 CCCCC(=O)NCC 240690a_100015525214_100000210183 [0,1,0,0,0,0|3,0,0]=4 234 B8R0.1 CCCCC(=O)NCC 527a_100015525214_100000210183 [0,1,0,0,0,0|3,0,0]=4 235 B8R0.1 CCCCC(C)OCC 34a_100000687866_100000210202 [0,1,0,0,0,0|3,0,0]=4 236 B8R0.1 CCCCC(C)OCC 34a_100121572206_200011215066 [0,1,0,0,0,0|3,0,0]=4 237 B8R0.1 CCCCC(C)OCC 7a_100000687866_100000210202 [0,1,0,0,0,0|3,0,0]=4 238 B8R0.1 CCCN(C)COCC 269982a_100000747261_100000739092 [0,1,0,0,0,0|2,1,0]=4 239 B8R0.1 CCCNC(=O)CCC 11a_100020643023_100000211992 [0,1,0,0,0,0|3,0,0]=4 240 B8R0.1 CCCNC(=O)CCC 1626a_100020643023_100000211992 [0,1,0,0,0,0|3,0,0]=4 241 B8R0.1 CCCNC(=O)CCC 240690a_100020643023_100000211992 [0,1,0,0,0,0|3,0,0]=4 242 B8R0.1 CCCNC(=O)CCC 527a_100020643023_100000211992 [0,1,0,0,0,0|3,0,0]=4 243 B8R0.1 CCCNC(=O)NCC 2708a_100015525214_100020643023 [0,1,0,0,0,0|3,0,0]=4 244 B8R0.1 CCCNC(=O)NCC 2708a_100020643023_100015525214 [0,1,0,0,0,0|3,0,0]=4 245 B8R0.1 CCCNC(=O)NCC 273464a_100015525214_100020643023 [0,1,0,0,0,0|3,0,0]=4 246 B8R0.1 CCCNC(=O)NCC 273464a_100020643023_100015525214 [0,1,0,0,0,0|3,0,0]=4 247 B8R0.1 CCCNC(=O)NCC 512a_100015525214_100020643023 [0,1,0,0,0,0|3,0,0]=4 248 B8R0.1 CCCNC(=O)NCC 512a_100020643023_100015525214 [0,1,0,0,0,0|3,0,0]=4 249 B8R0.1 CCCOC(=O)CNC 2230a_106832991635_200011215008 [0,1,0,0,0,0|3,0,0]=4 250 B8R0.1 CCCOC(=O)CNC 34a_100102657272_200011215008 [0,1,0,0,0,0|3,0,0]=4 251 B8R0.1 CCCOC(=O)CNC 7a_106832991635_200011215008 [0,1,0,0,0,0|3,0,0]=4 252 B8R0.1 CCCOC(=O)COC 34a_100138415774_200011215008 [0,1,0,0,0,0|3,0,0]=4 253 B8R0.1 CCCOC(=O)CSC 62a_200000210301_200011215008 [0,1,0,0,0,0|3,0,0]=4 254 B8R0.1 CCCOC(=O)CSC 62a_200011215008_200000210301 [0,1,0,0,0,0|3,0,0]=4 255 B8R0.1 CCCOC(=O)CS[13CH3] 62a_200011215008_200025704644 [0,1,0,0,0,0|3,0,0]=4 256 B8R0.1 CCCOC(=O)CS[13CH3] 62a_200025704644_200011215008 [0,1,0,0,0,0|3,0,0]=4 257 B8R0.1 CCCOC(C)CCC 34a_100000210258_100000766640 [0,1,0,0,0,0|3,0,0]=4 258 B8R0.1 CCCOC(C)CCC 34a_100000764384_100000210303 [0,1,0,0,0,0|3,0,0]=4 259 B8R0.1 CCCOC(C)CCC 7a_100000764384_100000210303 [0,1,0,0,0,0|3,0,0]=4 260 B8R0.1 CCC[C@H](N)COCC 34a_100000732646_100000210202 [0,1,0,0,0,0|3,0,0]=4 261 B8R0.1 CCNC(=O)CCNC 2230a_106832991635_100000737597 [0,1,0,0,0,0|3,0,0]=4 262 B8R0.1 CCNC(=O)CCNC 34a_100025743525_200000210301 [0,1,0,0,0,0|3,0,0]=4 263 B8R0.1 CCNC(=O)CCNC 7a_106832991635_100000737597 [0,1,0,0,0,0|3,0,0]=4 264 B8R0.1 CCNC(=O)CCN[13CH3] 34a_100025743525_200025704644 [0,1,0,0,0,0|3,0,0]=4 265 B8R0.1 CCNC(=O)CCOC 11a_100015525214_100000749529 [0,1,0,0,0,0|3,0,0]=4 266 B8R0.1 CCNC(=O)CCOC 240690a_100015525214_100000749529 [0,1,0,0,0,0|3,0,0]=4 267 B8R0.1 CCNC(=O)CCOC 527a_100015525214_100000749529 [0,1,0,0,0,0|3,0,0]=4 268 B8R0.1 CCNC(=O)CCSC 11a_100015525214_100000174002 [0,1,0,0,0,0|3,0,0]=4 269 B8R0.1 CCNC(=O)CCSC 240690a_100015525214_100000174002 [0,1,0,0,0,0|3,0,0]=4 270 B8R0.1 CCNC(=O)CCSC 527a_100015525214_100000174002 [0,1,0,0,0,0|3,0,0]=4 271 B8R0.1 CCNC(=O)CCSC 62a_100000737597_200000210301 [0,1,0,0,0,0|3,0,0]=4 272 B8R0.1 CCNC(=O)CCSC 62a_200000210301_100000737597 [0,1,0,0,0,0|3,0,0]=4 273 B8R0.1 CCNC(=O)CCS[13CH3] 62a_100000737597_200025704644 [0,1,0,0,0,0|3,0,0]=4 274 B8R0.1 CCNC(=O)CCS[13CH3] 62a_200025704644_100000737597 [0,1,0,0,0,0|3,0,0]=4 275 B8R0.1 CCNC(=O)COCC 11a_100015525214_100000211967 [0,1,0,0,0,0|2,0,0]=3 276 B8R0.1 CCNC(=O)COCC 240690a_100015525214_100000211967 [0,1,0,0,0,0|2,0,0]=3 277 B8R0.1 CCNC(=O)COCC 34a_100121572206_100000183381 [0,1,0,0,0,0|2,0,0]=3 278 B8R0.1 CCNC(=O)COCC 527a_100015525214_100000211967 [0,1,0,0,0,0|2,0,0]=3 279 B8R0.1 CCNC(=O)CSCC 11a_100015525214_100000230394 [0,1,0,0,0,0|2,1,0]=4 280 B8R0.1 CCNC(=O)CSCC 240690a_100015525214_100000230394 [0,1,0,0,0,0|2,1,0]=4 281 B8R0.1 CCNC(=O)CSCC 527a_100015525214_100000230394 [0,1,0,0,0,0|2,1,0]=4 282 B8R0.1 CCNC(=O)CSCC 62a_100000183381_100000210202 [0,1,0,0,0,0|2,1,0]=4 283 B8R0.1 CCNC(=O)CSCC 62a_100000210202_100000183381 [0,1,0,0,0,0|2,1,0]=4 284 B8R0.1 CCNC(=O)NCCF 2708a_100015525214_100000724931 [0,1,0,0,0,0|3,0,0]=4 285 B8R0.1 CCNC(=O)NCCF 273464a_100000724931_100015525214 [0,1,0,0,0,0|3,0,0]=4 286 B8R0.1 CCNC(=O)NCCF 273464a_100015525214_100000724931 [0,1,0,0,0,0|3,0,0]=4 287 B8R0.1 CCNC(=O)NCCF 512a_100015525214_100000724931 [0,1,0,0,0,0|3,0,0]=4 288 B8R0.1 CCNC(=O)NCCO 2708a_100015525214_100000210304 [0,1,0,0,0,0|3,0,0]=4 289 B8R0.1 CCNC(=O)NCCO 273464a_100000210304_100015525214 [0,1,0,0,0,0|3,0,0]=4 290 B8R0.1 CCNC(=O)NCCO 273464a_100015525214_100000210304 [0,1,0,0,0,0|3,0,0]=4 291 B8R0.1 CCNC(=O)NCCO 512a_100015525214_100000210304 [0,1,0,0,0,0|3,0,0]=4 292 B8R0.1 CCNCC(=O)NCC 2230a_100015525214_100000183381 [0,1,0,0,0,0|3,0,0]=4 293 B8R0.1 CCNCC(=O)NCC 2230a_100016988866_100000210202 [0,1,0,0,0,0|3,0,0]=4 294 B8R0.1 CCNCC(=O)OCC 2230a_100015525214_100000188475 [0,1,0,0,0,0|2,0,0]=3 295 B8R0.1 CCNNC(=O)NCC 273464a_100015525214_100000756455 [0,1,0,0,0,0|3,0,0]=4 296 B8R0.1 CCNNC(=O)NCC 512a_100000756455_100015525214 [0,1,0,0,0,0|3,0,0]=4 297 B8R0.1 CCNNC(=O)NCC 512a_100015525214_100000756455 [0,1,0,0,0,0|3,0,0]=4 298 B8R0.1 CCOC(=O)CCNC 2230a_106832991635_100011206558 [0,1,0,0,0,0|2,0,0]=3 299 B8R0.1 CCOC(=O)CCNC 34a_100102657272_100000765890 [0,1,0,0,0,0|2,0,0]=3 300 B8R0.1 CCOC(=O)CCNC 7a_106832991635_100011206558 [0,1,0,0,0,0|2,0,0]=3 301 B8R0.1 CCOC(=O)CCOC 34a_100138415774_100000765890 [0,1,0,0,0,0|2,0,0]=3 302 B8R0.1 CCOC(=O)CCSC 62a_100000765890_200000210301 [0,1,0,0,0,0|2,0,0]=3 303 B8R0.1 CCOC(=O)CCSC 62a_200000210301_100000765890 [0,1,0,0,0,0|2,0,0]=3 304 B8R0.1 CCOC(=O)CCS[13CH3] 62a_100000765890_200025704644 [0,1,0,0,0,0|2,0,0]=3 305 B8R0.1 CCOC(=O)CCS[13CH3] 62a_200025704644_100000765890 [0,1,0,0,0,0|2,0,0]=3 306 B8R0.1 CCOC(=O)CSCC 62a_100000188475_100000210202 [0,1,0,0,0,0|1,1,0]=3 307 B8R0.1 CCOC(=O)CSCC 62a_100000210202_100000188475 [0,1,0,0,0,0|1,1,0]=3 308 B8R0.1 CCOC(=O)CSCF 62a_100000188475_100015361967 [0,1,0,0,0,0|2,1,0]=4 309 B8R0.1 CCOC(=O)CSCF 62a_100015361967_100000188475 [0,1,0,0,0,0|2,1,0]=4 310 B8R0.1 CCOC(=O)OCSC 62a_200000210301_100000075025 [0,1,0,0,0,0|1,0,0]=2 311 B8R0.1 CCOC(=O)OCS[13CH3] 62a_200025704644_100000075025 [0,1,0,0,0,0|1,0,0]=2 312 B8R0.1 CCOC(C)CCCCl 34a_200000718107_100000210202 [0,1,0,0,0,0|3,0,0]=4 313 B8R0.1 CCOC(C)CCCCl 7a_200000718107_100000210202 [0,1,0,0,0,0|3,0,0]=4 314 B8R0.1 CCOCC(=O)CCF 1458a_100000211967_100011217306 [0,1,0,0,0,0|3,0,0]=4 315 B8R0.1 CCOCC(=O)CCO 1458a_100000211967_100000211926 [0,1,0,0,0,0|3,0,0]=4 316 B8R0.1 CCOCC(=O)NCO 34a_100121572206_100000185155 [0,1,0,0,0,0|3,0,0]=4 317 B8R0.1 CCOCC(=O)NNC 22a_100016993582_100000211967 [0,1,0,0,0,0|3,0,0]=4 318 B8R0.1 CCOCC(=O)OCC 34a_100121572206_100000188475 [0,1,0,0,0,0|1,0,0]=2 319 B8R0.1 CCOCC(C)OCC 34a_100000718985_100000210202 [0,1,0,0,0,0|2,0,0]=3 320 B8R0.1 CCOCC(C)OCC 7a_100000718985_100000210202 [0,1,0,0,0,0|2,0,0]=3 321 B8R0.1 CCOCC(C)OCF 34a_100000718985_100015361967 [0,1,0,0,0,0|3,0,0]=4 322 B8R0.1 CCOCC(C)OCF 7a_100000718985_100015361967 [0,1,0,0,0,0|3,0,0]=4 323 B8R0.3 CCCC(=O)C(C)CC 1458a_100000211992_100000758301 [0,1,0,0,0,0|3,0,0]=4 324 B8R0.3 CCCC(=O)C(C)CC 1458a_100011192722_100000210303 [0,1,0,0,0,0|3,0,0]=4 325 B8R0.3 CCCC(=O)C(O)CC 1458a_100011196387_100000210303 [0,1,0,0,0,0|3,0,0]=4 326 B8R0.3 CCCC(=O)N(C)CC 11a_100000225621_100000211992 [0,1,0,0,0,0|3,0,0]=4 327 B8R0.3 CCCC(=O)N(C)CC 1626a_100000225621_100000211992 [0,1,0,0,0,0|3,0,0]=4 328 B8R0.3 CCCC(=O)N(C)CC 240690a_100000225621_100000211992 [0,1,0,0,0,0|3,0,0]=4 329 B8R0.3 CCCC(=O)N(C)CC 527a_100000225621_100000211992 [0,1,0,0,0,0|3,0,0]=4 330 B8R0.3 CCNC(=O)C(=O)CC 1458a_200011297158_100000210202 [0,1,0,0,0,0|3,0,0]=4 331 B8R0.3 CCNC(=O)C(C)CC 11a_100015525214_100011192722 [0,1,0,0,0,0|3,0,0]=4 332 B8R0.3 CCNC(=O)C(C)CC 240690a_100015525214_100011192722 [0,1,0,0,0,0|3,0,0]=4 333 B8R0.3 CCNC(=O)C(C)CC 527a_100015525214_100011192722 [0,1,0,0,0,0|3,0,0]=4 334 B8R0.3 CCNC(=O)C(O)CC 240690a_100015525214_100011196387 [0,1,0,0,0,0|3,0,0]=4 335 B8R0.3 CCNC(=O)N(C)CC 2708a_100015525214_100000225621 [0,1,0,0,0,0|3,0,0]=4 336 B8R0.3 CCNC(=O)N(C)CC 273464a_100015525214_100000225621 [0,1,0,0,0,0|3,0,0]=4 337 B8R0.3 CCOC(=O)C(=O)NC 11a_106832991635_100014798877 [0,1,0,0,0,0|3,0,0]=4 338 B8R0.3 CCOC(=O)C(=O)NC 1626a_100102657272_100014798877 [0,1,0,0,0,0|3,0,0]=4 339 B8R0.3 CCOC(=O)C(=O)NC 240690a_100102657272_100014798877 [0,1,0,0,0,0|3,0,0]=4 340 B8R0.3 CCOC(=O)C(C)NC 2230a_106832991635_100011215307 [0,1,0,0,0,0|3,0,0]=4 341 B8R0.3 CCOC(=O)C(C)NC 34a_100102657272_100011216346 [0,1,0,0,0,0|3,0,0]=4 342 B8R0.3 CCOC(=O)C(C)NC 7a_106832991635_100011216346 [0,1,0,0,0,0|3,0,0]=4 343 B8R0.3 CCOC(=O)C(C)OC 34a_100138415774_100011216346 [0,1,0,0,0,0|3,0,0]=4 344 B8R0.3 CCOC(=O)C(C)SC 62a_100011216346_200000210301 [0,1,0,0,0,0|3,0,0]=4 345 B8R0.3 CCOC(=O)C(C)SC 62a_200000210301_100011216346 [0,1,0,0,0,0|3,0,0]=4 346 B8R0.3 CCOC(=O)C(C)S[13CH3] 62a_100011216346_200025704644 [0,1,0,0,0,0|3,0,0]=4 347 B8R0.3 CCOC(=O)C(C)S[13CH3] 62a_200025704644_100011216346 [0,1,0,0,0,0|3,0,0]=4 348 B8R0.3 CCOC(=O)C(F)NC 2230a_106832991635_100000760018 [0,1,0,0,0,0|3,0,0]=4 349 B8R0.3 CCOC(=O)C(F)NC 34a_100102657272_100000760018 [0,1,0,0,0,0|3,0,0]=4 350 B8R0.3 CCOC(=O)C(F)NC 7a_106832991635_100000040065 [0,1,0,0,0,0|3,0,0]=4 351 B8R0.3 CCOC(=O)C(F)OC 34a_100138415774_100000760018 [0,1,0,0,0,0|3,0,0]=4 352 B8R0.3 CCOC(=O)C(F)SC 62a_100000760018_200000210301 [0,1,0,0,0,0|3,0,0]=4 353 B8R0.3 CCOC(=O)C(F)SC 62a_200000210301_100000760018 [0,1,0,0,0,0|3,0,0]=4 354 B8R0.3 CCOC(=O)C(F)S[13CH3] 62a_100000760018_200025704644 [0,1,0,0,0,0|3,0,0]=4 355 B8R0.3 CCOC(=O)C(F)S[13CH3] 62a_200025704644_100000760018 [0,1,0,0,0,0|3,0,0]=4 356 B8R0.3 CCOC(=O)[C@H](C)OC 7a_100000751109_200000210301 [0,1,0,0,0,0|3,0,0]=4 357 B8R0.3 CCOC(=O)[C@H](C)O[13CH3] 7a_100000751109_200025704644 [0,1,0,0,0,0|3,0,0]=4 358 B8R0.3 CCOC(C)C(=O)CC 1458a_100000739345_100000210202 [0,1,0,0,0,0|3,0,0]=4 359 B8R0.3 CCOC(C)C(C)CC 7a_100011215189_100000210202 [0,1,0,0,0,0|3,0,0]=4 360 B8R0.5 CC(C)OC(=O)CS[13CH3] 62a_100011215430_200025704644 [0,1,0,0,0,0|3,0,0]=4 361 B8R0.5 CC(C)OC(=O)CS[13CH3] 62a_200025704644_100011215430 [0,1,0,0,0,0|3,0,0]=4 362 B8R0.5 CCCC(=O)CC(C)C 1458a_100000210554_100000210303 [0,1,0,0,0,0|3,0,0]=4 363 B8R0.5 CCCC(=O)CC(C)C 1458a_100000211992_100000210624 [0,1,0,0,0,0|3,0,0]=4 364 B8R0.5 CCCC(=O)CC(C)O 1458a_100000211992_100011218427 [0,1,0,0,0,0|3,0,0]=4 365 B8R0.5 CCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210303 [0,1,0,0,0,0|3,0,0]=4 366 B8R0.5 CCCC(=O)NC(C)C 11a_100138425928_100000211992 [0,1,0,0,0,0|3,0,0]=4 367 B8R0.5 CCCC(=O)NC(C)C 1626a_100138425928_100000211992 [0,1,0,0,0,0|3,0,0]=4 368 B8R0.5 CCCC(=O)NC(C)C 240690a_100138425928_100000211992 [0,1,0,0,0,0|3,0,0]=4 369 B8R0.5 CCCC(=O)NC(C)C 527a_100138425928_100000211992 [0,1,0,0,0,0|3,0,0]=4 370 B8R0.5 CCCC(C)OC(C)C 34a_100000212225_100000766640 [0,1,0,0,0,0|3,0,0]=4 371 B8R0.5 CCCC(C)OC(C)C 34a_100000764384_100000210206 [0,1,0,0,0,0|3,0,0]=4 372 B8R0.5 CCCC(C)OC(C)C 7a_100000764384_100000210206 [0,1,0,0,0,0|3,0,0]=4 373 B8R0.5 CCNC(=O)CC(C)C 11a_100015525214_100000210554 [0,1,0,0,0,0|3,0,0]=4 374 B8R0.5 CCNC(=O)CC(C)C 240690a_100015525214_100000210554 [0,1,0,0,0,0|3,0,0]=4 375 B8R0.5 CCNC(=O)CC(C)C 527a_100015525214_100000210554 [0,1,0,0,0,0|3,0,0]=4 376 B8R0.5 CCNC(=O)C[C@@H](C)O 240690a_100015525214_100011933948 [0,1,0,0,0,0|3,0,0]=4 377 B8R0.5 CCNC(=O)NC(C)C 2708a_100015525214_100138425928 [0,1,0,0,0,0|3,0,0]=4 378 B8R0.5 CCNC(=O)NC(C)C 2708a_100138425928_100015525214 [0,1,0,0,0,0|3,0,0]=4 379 B8R0.5 CCNC(=O)NC(C)C 273464a_100138425928_100015525214 [0,1,0,0,0,0|3,0,0]=4 380 B8R0.5 CCNC(=O)NC(C)C 512a_100015525214_100138425928 [0,1,0,0,0,0|3,0,0]=4 381 B8R0.5 CCNC(=O)NC(C)C 512a_100138425928_100015525214 [0,1,0,0,0,0|3,0,0]=4 382 B8R0.5 CCOC(=O)CC(=O)C 1458a_100000070787_100000188475 [0,1,0,0,0,0|2,0,1]=4 383 B8R0.5 CCOC(=O)CC(=O)C 1458a_100000243816_200000210301 [0,1,0,0,0,0|2,0,1]=4 384 B8R0.5 CCOC(=O)CC(=O)[13CH3] 1458a_100000243816_200025704644 [0,1,0,0,0,0|2,0,1]=4 385 B8R0.5 CCOC(=O)CN(C)C 2230a_100000220588_200000210301 [0,1,0,0,0,0|3,0,0]=4 386 B8R0.5 CCOC(=O)CN(C)C 2230a_100102631434_100000188475 [0,1,0,0,0,0|3,0,0]=4 387 B8R0.5 CCOC(=O)CN(C)C 269982a_100102631434_100000188475 [0,1,0,0,0,0|3,0,0]=4 388 B8R0.5 CCOC(=O)CN(C)[13CH3] 2230a_100000220588_200025704644 [0,1,0,0,0,0|3,0,0]=4 389 B8R0.5 CCOC(C)CC(C)C 34a_100000211805_100000210202 [0,1,0,0,0,0|3,0,0]=4 390 B8R0.5 CCOC(C)CC(C)C 34a_100121572206_100000731052 [0,1,0,0,0,0|3,0,0]=4 391 B8R0.5 CCOC(C)CC(C)C 7a_100000211805_100000210202 [0,1,0,0,0,0|3,0,0]=4 392 B8R0.5 CNCC(=O)OC(C)C 2230a_106832991635_100011215430 [0,1,0,0,0,0|3,0,0]=4 393 B8R0.5 CNCC(=O)OC(C)C 34a_100102657272_100011215430 [0,1,0,0,0,0|3,0,0]=4 394 B8R0.5 CNCC(=O)OC(C)C 7a_106832991635_100011215430 [0,1,0,0,0,0|3,0,0]=4 395 B8R0.5 COCC(=O)OC(C)C 34a_100138415774_100011215430 [0,1,0,0,0,0|3,0,0]=4 396 B8R0.5 CSCC(=O)OC(C)C 62a_100011215430_200000210301 [0,1,0,0,0,0|3,0,0]=4 397 B8R0.5 CSCC(=O)OC(C)C 62a_200000210301_100011215430 [0,1,0,0,0,0|3,0,0]=4 398 B8R0.22 C#CC(CCC)OCC 34a_200011217317_100000210202 [0,1,0,0,0,0|3,0,0]=4 399 B8R0.22 C#CC(CCC)OCC 7a_200011217317_100000210202 [0,1,0,0,0,0|3,0,0]=4 400 B8R0.22 C=CC(CCC)OCC 34a_100011216692_100000210202 [0,1,0,0,0,0|3,0,0]=4 401 B8R0.22 C=CC(CCC)OCC 7a_100011216692_100000210202 [0,1,0,0,0,0|3,0,0]=4 402 B8R0.22 CCCC(C#N)OCC 34a_100000686963_100000210202 [0,1,0,0,0,0|3,0,0]=4 403 B8R0.22 CCCC(C#N)OCC 7a_100000686963_100000210202 [0,1,0,0,0,0|3,0,0]=4 404 B8R0.22 CCCC(CC)OCC 34a_100000687864_100000210202 [0,1,0,0,0,0|3,0,0]=4 405 B8R0.22 CCCC(CC)OCC 7a_100000687864_100000210202 [0,1,0,0,0,0|3,0,0]=4 406 B8R0.30 CCCC(C)(C)OCC 7a_100000748436_100000210202 [0,1,0,0,0,0|3,0,0]=4 407 B8R0.30 CCCS(=O)(=O)NCC 270084a_100015525214_100000211391 [0,1,0,0,0,0|3,0,0]=4 408 B8R0.30 CCCS(=O)(=O)NCC 274078a_100015525214_100000211391 [0,1,0,0,0,0|3,0,0]=4 409 B8R0.30 CCCS(=O)(=O)NCC 40a_100015525214_100000054278 [0,1,0,0,0,0|3,0,0]=4 410 B8R1.4 CN1CCOC(=O)C1 2230a_100000131268_200000210301 [0,0,0,1,0,0|3,0,0]=4 411 B8R1.4 [13CH3]N1CCOC(=O)C1 2230a_100000131268_200025704644 [0,0,0,1,0,0|3,0,0]=4 412 B8R1.8 CCOC1CCCC1 34a_100000210269_100000210202 [0,0,0,1,0,0|3,0,0]=4 413 B8R1.8 CCOC1CCCC1 34a_100121572206_100000179811 [0,0,0,1,0,0|3,0,0]=4 414 B8R1.8 CCOC1CCCC1 7a_100000210269_100000210202 [0,0,0,1,0,0|3,0,0]=4 415 B8R1.8 CCOC1CCCO1 34a_100000085407_100000210202 [0,0,0,1,0,0|2,0,0]=3 416 B8R1.8 FCOC1CCCO1 34a_100000085407_100015361967 [0,0,0,1,0,0|3,0,0]=4 417 B8R1.11 CNC1CCOC1=O 2230a_106832991635_100000211211 [0,0,0,1,0,0|3,0,0]=4 418 B8R1.11 CNC1CCOC1=O 34a_100102657272_100000211211 [0,0,0,1,0,0|3,0,0]=4 419 B8R1.11 CNC1CCOC1=O 7a_106832991635_100000211211 [0,0,0,1,0,0|3,0,0]=4 420 B8R1.11 COC1CCOC1=O 34a_100138415774_100000211211 [0,0,0,1,0,0|3,0,0]=4 421 B8R1.11 CSC1CCOC1=O 62a_100000211211_200000210301 [0,0,0,1,0,0|3,0,0]=4 422 B8R1.11 CSC1CCOC1=O 62a_200000210301_100000211211 [0,0,0,1,0,0|3,0,0]=4 423 B8R1.11 [13CH3]SC1CCOC1=O 62a_100000211211_200025704644 [0,0,0,1,0,0|3,0,0]=4 424 B8R1.11 [13CH3]SC1CCOC1=O 62a_200025704644_100000211211 [0,0,0,1,0,0|3,0,0]=4 425 B8R1.37 CCCC(=O)C1CC1 1458a_100000210395_100000210303 [0,0,0,1,0,0|3,0,0]=4 426 B8R1.37 CCNC(=O)C1CC1 11a_100015525214_100000210395 [0,0,0,1,0,0|3,0,0]=4 427 B8R1.37 CCNC(=O)C1CC1 240690a_100015525214_100000210395 [0,0,0,1,0,0|3,0,0]=4 428 B8R1.37 CCNC(=O)C1CC1 527a_100015525214_100000210395 [0,0,0,1,0,0|3,0,0]=4 429 B8R1.37 CCOC(C)C1CC1 34a_100000744524_100000210202 [0,0,0,1,0,0|3,0,0]=4 430 B8R1.37 CCOC(C)C1CC1 7a_100000744524_100000210202 [0,0,0,1,0,0|3,0,0]=4 431 B8R1.66 CCOC1(CCC1)C 34a_100000759064_100000210202 [0,0,0,1,0,0|3,0,0]=4 432 B8R1.66 CCOC1(CCC1)C 7a_100000759064_100000210202 [0,0,0,1,0,0|3,0,0]=4 433 B5R0.1 CCCC(=O)C 1458a_100000070787_100000210303 [2,0,0,0,0,0|2,0,0]=4 434 B5R0.1 CCCC(=O)C 1458a_100000211992_200000210301 [2,0,0,0,0,0|2,0,0]=4 435 B5R0.1 CCCC(=O)[13CH3] 1458a_100000211992_200025704644 [2,0,0,0,0,0|2,0,0]=4 436 B5R0.1 CCNC(=O)C 11a_100015525214_100015343762 [2,0,0,0,0,0|2,0,0]=4 437 B5R0.1 CCNC(=O)C 240690a_100015525214_100015343762 [2,0,0,0,0,0|2,0,0]=4 438 B5R0.1 CCNC(=O)C 527a_100015525214_100103153847 [2,0,0,0,0,0|2,0,0]=4 439 B5R0.1 CCOC(C)C 34a_100000212225_100000210202 [2,0,0,0,0,0|2,0,0]=4 440 B5R0.1 CCOC(C)C 34a_100121572206_100000210206 [2,0,0,0,0,0|2,0,0]=4 441 B5R0.2 CCCCOC 34a_100000210227_200000210301 [2,0,0,0,0,0|2,0,0]=4 442 B5R0.2 CCCCOC 34a_100138415774_100000210210 [2,0,0,0,0,0|2,0,0]=4 443 B5R0.2 CCCCOC 7a_100000210227_200000210301 [2,0,0,0,0,0|2,0,0]=4 444 B5R0.2 CCCCO[13CH3] 34a_100000210227_200025704644 [2,0,0,0,0,0|2,0,0]=4 445 B5R0.2 CCCCO[13CH3] 7a_100000210227_200025704644 [2,0,0,0,0,0|2,0,0]=4 446 B5R0.2 CCCNCC 2230a_100015525214_100000210303 [2,0,0,0,0,0|1,1,0]=4 447 B5R0.2 CCCOCC 34a_100000210258_100000210202 [2,0,0,0,0,0|1,0,0]=3 448 B5R0.2 CCCOCC 34a_100121572206_100000210303 [2,0,0,0,0,0|1,0,0]=3 449 B5R0.2 CCCOCF 34a_100000210258_100015361967 [2,0,0,0,0,0|2,0,0]=4 450 B5R0.2 CCCSCC 62a_100000210202_100000210303 [2,0,0,0,0,0|1,1,0]=4 451 B5R0.2 CCCSCC 62a_100000210303_100000210202 [2,0,0,0,0,0|1,1,0]=4 452 B5R0.2 CCNCOC 2230a_100015525214_100000766300 [2,0,0,0,0,0|2,0,0]=4 453 B5R0.2 CCOCCBr 34a_100000211926_100000210202 [2,0,0,0,0,0|2,0,0]=4 454 B5R0.2 CCOCCF 34a_100121572206_100011217306 [2,0,0,0,0,0|2,0,0]=4 455 B5R0.2 CCOCCN 34a_100000210304_100000210202 [2,0,0,0,0,0|2,0,0]=4 456 B5R0.2 CCOCCO 34a_100121572206_100000211926 [2,0,0,0,0,0|2,0,0]=4 457 B5R0.2 CCOCSC 34a_100121572206_100011218213 [2,0,0,0,0,0|1,1,0]=4 458 B5R0.2 CCOCSC 62a_100000739092_200000210301 [2,0,0,0,0,0|1,1,0]=4 459 B5R0.2 CCOCSC 62a_200000210301_100000739092 [2,0,0,0,0,0|1,1,0]=4 460 B5R0.2 CCOCS[13CH3] 62a_100000739092_200025704644 [2,0,0,0,0,0|1,1,0]=4 461 B5R0.2 CCOCS[13CH3] 62a_200025704644_100000739092 [2,0,0,0,0,0|1,1,0]=4 462 B5R0.2 CCSCOC 62a_100000210202_100000766300 [2,0,0,0,0,0|1,1,0]=4 463 B5R0.2 CCSCOC 62a_100000766300_100000210202 [2,0,0,0,0,0|1,1,0]=4 464 B5R0.3 CCC(=O)CC 1458a_100000210414_100000210202 [2,0,0,0,0,0|1,0,0]=3 465 B5R0.3 CCC(=O)CF 1458a_100000210414_100015361967 [2,0,0,0,0,0|2,0,0]=4 466 B5R0.3 CCC(=O)CO 1458a_100000210174_100000210202 [2,0,0,0,0,0|2,0,0]=4 467 B5R0.3 CCC(=O)NC 11a_106832991635_100000210414 [2,0,0,0,0,0|2,0,0]=4 468 B5R0.3 CCC(=O)NC 1626a_100102657272_100000210414 [2,0,0,0,0,0|2,0,0]=4 469 B5R0.3 CCC(=O)NC 240690a_100102657272_100000210414 [2,0,0,0,0,0|2,0,0]=4 470 B5R0.3 CCC(=O)NC 527a_100102657272_100000210414 [2,0,0,0,0,0|2,0,0]=4 471 B5R0.3 CCC(C)OC 34a_100138415774_100011215416 [2,0,0,0,0,0|2,0,0]=4 472 B5R0.3 CCC(C)OC 7a_100000210228_200000210301 [2,0,0,0,0,0|2,0,0]=4 473 B5R0.3 CCC(C)O[13CH3] 7a_100000210228_200025704644 [2,0,0,0,0,0|2,0,0]=4 474 B5R0.3 CCN(C)CC 2230a_100000225621_100000210202 [2,0,0,0,0,0|1,1,0]=4 475 B5R0.3 CCN(C)CC 2230a_100000724800_200000210301 [2,0,0,0,0,0|1,1,0]=4 476 B5R0.3 CCN(C)CC 269956a_100000042499_200000210301 [2,0,0,0,0,0|1,1,0]=4 477 B5R0.3 CCN(C)CC 269982a_100000225621_100000204670 [2,0,0,0,0,0|1,1,0]=4 478 B5R0.3 CCN(C)CC 269982a_100000724800_200000210301 [2,0,0,0,0,0|1,1,0]=4 479 B5R0.3 CCN([13CH3])CC 2230a_100000724800_200025704644 [2,0,0,0,0,0|1,1,0]=4 480 B5R0.3 CCN([13CH3])CC 269956a_100000042499_200025704644 [2,0,0,0,0,0|1,1,0]=4 481 B5R0.3 CCN([13CH3])CC 269982a_100000724800_200025704644 [2,0,0,0,0,0|1,1,0]=4 482 B7R0.2 CCC(=O)CC(C)C 1458a_100000210414_100000210624 [1,1,0,0,0,0|2,0,0]=4 483 B7R0.2 CCC(=O)CC(C)C 1458a_100000210554_100000210202 [1,1,0,0,0,0|2,0,0]=4 484 B7R0.2 CCC(=O)CC(C)O 1458a_100000210414_100011218427 [1,1,0,0,0,0|2,0,0]=4 485 B7R0.2 CCC(=O)C[C@@H](C)O 1458a_100011933948_100000210202 [1,1,0,0,0,0|2,0,0]=4 486 B7R0.2 CCC(=O)NC(C)C 11a_100138425928_100000210414 [1,1,0,0,0,0|2,0,0]=4 487 B7R0.2 CCC(=O)NC(C)C 1626a_100138425928_100000210414 [1,1,0,0,0,0|2,0,0]=4 488 B7R0.2 CCC(=O)NC(C)C 240690a_100138425928_100000210414 [1,1,0,0,0,0|2,0,0]=4 489 B7R0.2 CCC(=O)NC(C)C 527a_100138425928_100000210414 [1,1,0,0,0,0|2,0,0]=4 490 B7R0.2 CCC(C)OC(C)C 34a_100000212225_100011215416 [1,1,0,0,0,0|2,0,0]=4 491 B7R0.2 CCC(C)OC(C)C 7a_100000210228_100000210206 [1,1,0,0,0,0|2,0,0]=4 492 B7R0.3 CCC#CC(=O)CC 1458a_100011827653_100000210202 [1,1,0,0,0,0|2,0,0]=4 493 B7R0.3 CCC(=O)CCCF 1458a_100000210414_100011934791 [1,1,0,0,0,0|2,0,0]=4 494 B7R0.3 CCC(=O)CCCO 1458a_100000210414_100011215043 [1,1,0,0,0,0|2,0,0]=4 495 B7R0.3 CCC(=O)CCOC 1458a_100000210414_100000233755 [1,1,0,0,0,0|2,0,0]=4 496 B7R0.3 CCC(=O)CCOC 1458a_100000749529_100000210202 [1,1,0,0,0,0|2,0,0]=4 497 B7R0.3 CCC(=O)CCSC 1458a_100000174002_100000210202 [1,1,0,0,0,0|2,0,0]=4 498 B7R0.3 CCC(=O)CCSC 1458a_100000210414_100000751147 [1,1,0,0,0,0|2,0,0]=4 499 B7R0.3 CCC(=O)COCF 34a_100000725409_100015361967 [1,1,0,0,0,0|2,0,0]=4 500 B7R0.3 CCC(=O)NCCF 11a_100000724931_100000210414 [1,1,0,0,0,0|2,0,0]=4 501 B7R0.3 CCC(=O)NCCF 1626a_100000724931_100000210414 [1,1,0,0,0,0|2,0,0]=4 502 B7R0.3 CCC(=O)NCCF 240690a_100000724931_100000210414 [1,1,0,0,0,0|2,0,0]=4 503 B7R0.3 CCC(=O)NCCF 527a_100000724931_100000210414 [1,1,0,0,0,0|2,0,0]=4 504 B7R0.3 CCC(=O)NCCO 240690a_100000210304_100000210414 [1,1,0,0,0,0|2,0,0]=4 505 B7R0.3 CCC(=O)NCCO 527a_100000210304_100000210414 [1,1,0,0,0,0|2,0,0]=4 506 B7R0.3 CCC(C)OCCBr 34a_100000211926_100011215416 [1,1,0,0,0,0|2,0,0]=4 507 B7R0.3 CCC(C)OCCF 7a_100000210228_100011217306 [1,1,0,0,0,0|2,0,0]=4 508 B7R0.3 CCC(C)OCCN 34a_100000210304_100011215416 [1,1,0,0,0,0|2,0,0]=4 509 B7R0.3 CCC(C)OCCO 7a_100000210228_100000211926 [1,1,0,0,0,0|2,0,0]=4 510 B7R0.3 CCC=CC(=O)CC 1458a_100000212282_100000210202 [1,1,0,0,0,0|2,0,0]=4 511 B7R0.3 CCCCC(=O)CC 1458a_100000210183_100000210202 [1,1,0,0,0,0|2,0,0]=4 512 B7R0.3 CCCCC(=O)CC 1458a_100000210414_100000210211 [1,1,0,0,0,0|2,0,0]=4 513 B7R0.3 CCCNC(=O)CC 11a_100020643023_100000210414 [1,1,0,0,0,0|2,0,0]=4 514 B7R0.3 CCCNC(=O)CC 1626a_100020643023_100000210414 [1,1,0,0,0,0|2,0,0]=4 515 B7R0.3 CCCNC(=O)CC 240690a_100020643023_100000210414 [1,1,0,0,0,0|2,0,0]=4 516 B7R0.3 CCCNC(=O)CC 527a_100020643023_100000210414 [1,1,0,0,0,0|2,0,0]=4 517 B7R0.3 CCCOC(C)CC 34a_100000210258_100011215416 [1,1,0,0,0,0|2,0,0]=4 518 B7R0.3 CCCOC(C)CC 7a_100000210228_100000210303 [1,1,0,0,0,0|2,0,0]=4 519 B7R0.3 CCNCC(=O)OC 2230a_100015525214_100000747449 [1,1,0,0,0,0|2,0,0]=4 520 B7R0.3 CCNNC(=O)CC 22a_100000756455_100000210414 [1,1,0,0,0,0|2,0,0]=4 521 B7R0.3 CCOCC(=O)CC 1458a_100000211967_100000210202 [1,1,0,0,0,0|1,0,0]=3 522 B7R0.3 CCOCC(=O)CC 34a_100000725409_100000210202 [1,1,0,0,0,0|1,0,0]=3 523 B7R0.3 CCOCC(=O)CF 1458a_100000211967_100015361967 [1,1,0,0,0,0|2,0,0]=4 524 B7R0.3 CCOCC(=O)NC 11a_106832991635_100000211967 [1,1,0,0,0,0|2,0,0]=4 525 B7R0.3 CCOCC(=O)NC 1626a_100102657272_100000211967 [1,1,0,0,0,0|2,0,0]=4 526 B7R0.3 CCOCC(=O)NC 240690a_100102657272_100000211967 [1,1,0,0,0,0|2,0,0]=4 527 B7R0.3 CCOCC(=O)NC 34a_100000750040_100000210202 [1,1,0,0,0,0|2,0,0]=4 528 B7R0.3 CCOCC(=O)NC 34a_100121572206_100000183359 [1,1,0,0,0,0|2,0,0]=4 529 B7R0.3 CCOCC(=O)NC 527a_100102657272_100000211967 [1,1,0,0,0,0|2,0,0]=4 530 B7R0.3 CCOCC(=O)OC 34a_100121572206_100000747449 [1,1,0,0,0,0|1,0,0]=3 531 B7R0.3 CCOCC(C)CC 34a_100121572206_100000748023 [1,1,0,0,0,0|2,0,0]=4 532 B7R0.3 CCOCC(C)OC 34a_100000690652_100000210202 [1,1,0,0,0,0|2,0,0]=4 533 B7R0.3 CCOCC(C)OC 34a_100000718985_200000210301 [1,1,0,0,0,0|2,0,0]=4 534 B7R0.3 CCOCC(C)OC 7a_100000718985_200000210301 [1,1,0,0,0,0|2,0,0]=4 535 B7R0.3 CCOCC(C)O[13CH3] 34a_100000718985_200025704644 [1,1,0,0,0,0|2,0,0]=4 536 B7R0.3 CCOCC(C)O[13CH3] 7a_100000718985_200025704644 [1,1,0,0,0,0|2,0,0]=4 537 B7R0.3 CCOCC(O)CC 34a_100121572206_100011218378 [1,1,0,0,0,0|1,0,1]=4 538 B7R0.3 CCOCN(C)CC 269982a_100000225621_100000739092 [1,1,0,0,0,0|1,1,0]=4 539 B7R0.3 CCOC[C@@H](C)CC 34a_100121572206_100009816398 [1,1,0,0,0,0|2,0,0]=4 540 B7R0.3 CCOC[C@@H](C)CC 7a_100009816381_100000210202 [1,1,0,0,0,0|2,0,0]=4 541 B7R0.3 CCSCC(=O)CC 1458a_100000230394_100000210202 [1,1,0,0,0,0|1,1,0]=4 542 B7R0.3 CCSCC(=O)CC 62a_100000210202_100000747405 [1,1,0,0,0,0|1,1,0]=4 543 B7R0.3 CCSCC(=O)CC 62a_100000747405_100000210202 [1,1,0,0,0,0|1,1,0]=4 544 B7R0.3 CCSCC(=O)OC 62a_100000210202_100000747449 [1,1,0,0,0,0|1,1,0]=4 545 B7R0.3 CCSCC(=O)OC 62a_100000747449_100000210202 [1,1,0,0,0,0|1,1,0]=4 546 B7R0.3 CNCCC(=O)OC 2230a_106832991635_100000204255 [1,1,0,0,0,0|2,0,0]=4 547 B7R0.3 CNCCC(=O)OC 34a_100102657272_100000742370 [1,1,0,0,0,0|2,0,0]=4 548 B7R0.3 CNCCC(=O)OC 7a_106832991635_100000204255 [1,1,0,0,0,0|2,0,0]=4 549 B7R0.3 COC(=O)CCSC 62a_100000204255_200000210301 [1,1,0,0,0,0|2,0,0]=4 550 B7R0.3 COC(=O)CCSC 62a_200000210301_100000204255 [1,1,0,0,0,0|2,0,0]=4 551 B7R0.3 COC(=O)CCS[13CH3] 62a_100000204255_200025704644 [1,1,0,0,0,0|2,0,0]=4 552 B7R0.3 COC(=O)CCS[13CH3] 62a_200025704644_100000204255 [1,1,0,0,0,0|2,0,0]=4 553 B7R0.3 COC(=O)OCSC 62a_200000210301_100000139417 [1,1,0,0,0,0|1,0,0]=3 554 B7R0.3 COC(=O)OCS[13CH3] 62a_200025704644_100000139417 [1,1,0,0,0,0|1,0,0]=3 555 B7R0.3 COCCC(=O)OC 34a_100138415774_100000742370 [1,1,0,0,0,0|2,0,0]=4 556 B7R0.5 CCCC(=O)C(C)C 1458a_100000210198_100000210303 [1,1,0,0,0,0|2,0,0]=4 557 B7R0.5 CCCC(=O)C(C)C 1458a_100000211992_100000210206 [1,1,0,0,0,0|2,0,0]=4 558 B7R0.5 CCCC(=O)C(C)F 1458a_100000062450_100000210303 [1,1,0,0,0,0|2,0,0]=4 559 B7R0.5 CCCC(=O)[C@@H](C)O 1458a_100000717761_100000210303 [1,1,0,0,0,0|2,0,0]=4 560 B7R0.5 CCCC(=O)[C@H](C)O 1458a_217856618621_100000210303 [1,1,0,0,0,0|2,0,0]=4 561 B7R0.5 CCNC(=O)C(C)C 11a_100015525214_100000210198 [1,1,0,0,0,0|2,0,0]=4 562 B7R0.5 CCNC(=O)C(C)C 240690a_100015525214_100000210198 [1,1,0,0,0,0|2,0,0]=4 563 B7R0.5 CCNC(=O)C(C)C 527a_100015525214_100000210198 [1,1,0,0,0,0|2,0,0]=4 564 B7R0.5 CCNC(=O)C(C)F 11a_100015525214_100000062450 [1,1,0,0,0,0|2,0,0]=4 565 B7R0.5 CCNC(=O)C(C)F 240690a_100015525214_100000062450 [1,1,0,0,0,0|2,0,0]=4 566 B7R0.5 CCNC(=O)C(C)F 527a_100015525214_100000062450 [1,1,0,0,0,0|2,0,0]=4 567 B7R0.5 CCNC(=O)[C@@H](C)O 240690a_100015525214_100000717761 [1,1,0,0,0,0|2,0,0]=4 568 B7R0.5 CCNC(=O)[C@H](C)O 240690a_100015525214_217856618621 [1,1,0,0,0,0|2,0,0]=4 569 B7R0.5 CCOC(C)C(C)C 7a_100000748068_100000210202 [1,1,0,0,0,0|2,0,0]=4 570 B7R0.10 CCC(=O)C(C)CC 1458a_100000210414_100000758301 [1,1,0,0,0,0|2,0,0]=4 571 B7R0.10 CCC(=O)C(C)CC 1458a_100011192722_100000210202 [1,1,0,0,0,0|2,0,0]=4 572 B7R0.10 CCC(=O)C(O)CC 1458a_100011196387_100000210202 [1,1,0,0,0,0|2,0,0]=4 573 B7R0.10 CCC(=O)N(C)CC 11a_100000225621_100000210414 [1,1,0,0,0,0|2,0,0]=4 574 B7R0.10 CCC(=O)N(C)CC 1626a_100000225621_100000210414 [1,1,0,0,0,0|2,0,0]=4 575 B7R0.10 CCC(=O)N(C)CC 240690a_100000225621_100000210414 [1,1,0,0,0,0|2,0,0]=4 576 B7R0.10 CCC(=O)N(C)CC 527a_100000225621_100000210414 [1,1,0,0,0,0|2,0,0]=4 577 B7R0.11 CCNS(=O)(=O)CC 270084a_100015525214_100000211323 [1,1,0,0,0,0|2,0,0]=4 578 B7R0.11 CCNS(=O)(=O)CC 274078a_100015525214_100000211323 [1,1,0,0,0,0|2,0,0]=4 579 B7R0.11 CCNS(=O)(=O)CC 40a_100015525214_100000053943 [1,1,0,0,0,0|2,0,0]=4 580 B7R0.11 CCOC(C)(C)CC 7a_100000210230_100000210202 [1,1,0,0,0,0|2,0,0]=4 581 B7R0.12 C#CC(CC)OCC 34a_100000758843_100000210202 [1,1,0,0,0,0|2,0,0]=4 582 B7R0.12 C#CC(CC)OCC 7a_100000758843_100000210202 [1,1,0,0,0,0|2,0,0]=4 583 B7R0.12 C=CC(CC)OCC 34a_100000766422_100000210202 [1,1,0,0,0,0|2,0,0]=4 584 B7R0.12 C=CC(CC)OCC 7a_100000766422_100000210202 [1,1,0,0,0,0|2,0,0]=4 585 B7R0.12 CCOC(CC)CC 7a_100000688536_100000210202 [1,1,0,0,0,0|2,0,0]=4 586 B7R0.1 CC/C=C\COCC 34a_100016268518_100000210202 [1,1,0,0,0,0|2,0,0]=4 587 B7R0.1 CC/C=C\COCC 34a_100121572206_100103147603 [1,1,0,0,0,0|2,0,0]=4 588 B7R0.1 CCC#CCOCC 34a_100000032950_100000210202 [1,1,0,0,0,0|2,0,0]=4 589 B7R0.1 CCC#CCOCC 34a_100121572206_100009813939 [1,1,0,0,0,0|2,0,0]=4 590 B7R0.1 CCCCCOCC 34a_100000210253_100000210202 [1,1,0,0,0,0|2,0,0]=4 591 B7R0.1 CCCCCOCC 34a_100121572206_100000718602 [1,1,0,0,0,0|2,0,0]=4 592 B7R0.1 CCCCCOCC 7a_100000210253_100000210202 [1,1,0,0,0,0|2,0,0]=4 593 B7R0.1 CCCCOCCBr 34a_100000211926_100000210210 [1,1,0,0,0,0|2,0,0]=4 594 B7R0.1 CCCCOCCC 34a_100000210227_100000210303 [1,1,0,0,0,0|2,0,0]=4 595 B7R0.1 CCCCOCCC 34a_100000210258_100000210210 [1,1,0,0,0,0|2,0,0]=4 596 B7R0.1 CCCCOCCC 7a_100000210227_100000210303 [1,1,0,0,0,0|2,0,0]=4 597 B7R0.1 CCCCOCCF 34a_100000210227_100011217306 [1,1,0,0,0,0|2,0,0]=4 598 B7R0.1 CCCCOCCF 7a_100000210227_100011217306 [1,1,0,0,0,0|2,0,0]=4 599 B7R0.1 CCCCOCCN 34a_100000210304_100000210210 [1,1,0,0,0,0|2,0,0]=4 600 B7R0.1 CCCCOCCO 34a_100000210227_100000211926 [1,1,0,0,0,0|2,0,0]=4 601 B7R0.1 CCCCOCCO 7a_100000210227_100000211926 [1,1,0,0,0,0|2,0,0]=4 602 B7R0.1 CCCCOCNC 2230a_106832991635_100011995733 [1,1,0,0,0,0|2,0,0]=4 603 B7R0.1 CCCCOCNC 34a_100102657272_100011995733 [1,1,0,0,0,0|2,0,0]=4 604 B7R0.1 CCCCOCOC 34a_100138415774_100011995733 [1,1,0,0,0,0|2,0,0]=4 605 B7R0.1 CCCCOCSC 34a_100000210227_100011218213 [1,1,0,0,0,0|2,0,0]=4 606 B7R0.1 CCCCOCSC 62a_100011995733_200000210301 [1,1,0,0,0,0|2,0,0]=4 607 B7R0.1 CCCCOCSC 62a_200000210301_100011995733 [1,1,0,0,0,0|2,0,0]=4 608 B7R0.1 CCCCOCS[13CH3] 62a_100011995733_200025704644 [1,1,0,0,0,0|2,0,0]=4 609 B7R0.1 CCCCOCS[13CH3] 62a_200025704644_100011995733 [1,1,0,0,0,0|2,0,0]=4 610 B7R0.1 CCCSCOCC 62a_100000210303_100000739092 [1,1,0,0,0,0|1,1,0]=4 611 B7R0.1 CCCSCOCC 62a_100000739092_100000210303 [1,1,0,0,0,0|1,1,0]=4 612 B7R0.1 CCNCCOCC 2230a_100015525214_100011215890 [1,1,0,0,0,0|2,0,0]=4 613 B7R0.1 CCNCCOCC 2230a_102516460346_100000210202 [1,1,0,0,0,0|2,0,0]=4 614 B7R0.1 CCNCCOCC 34a_102516460346_100000210202 [1,1,0,0,0,0|2,0,0]=4 615 B7R0.1 CCOCCCCBr 34a_100011216708_100000210202 [1,1,0,0,0,0|2,0,0]=4 616 B7R0.1 CCOCCCCCl 34a_100000210776_100000210202 [1,1,0,0,0,0|2,0,0]=4 617 B7R0.1 CCOCCCCCl 7a_100000210776_100000210202 [1,1,0,0,0,0|2,0,0]=4 618 B7R0.1 CCOCCCCF 34a_100011995726_100000210202 [1,1,0,0,0,0|2,0,0]=4 619 B7R0.1 CCOCCCCF 34a_100121572206_100000729493 [1,1,0,0,0,0|2,0,0]=4 620 B7R0.1 CCOCCCCF 7a_100011995726_100000210202 [1,1,0,0,0,0|2,0,0]=4 621 B7R0.1 CCOCCCCI 34a_200012148704_100000210202 [1,1,0,0,0,0|2,0,0]=4 622 B7R0.1 CCOCCCCN 34a_100000750430_100000210202 [1,1,0,0,0,0|2,0,0]=4 623 B7R0.1 CCOCCCCO 34a_100121572206_100011216708 [1,1,0,0,0,0|2,0,0]=4 624 B7R0.1 CCOCCCNC 2230a_100000210961_200000210301 [1,1,0,0,0,0|2,0,0]=4 625 B7R0.1 CCOCCCNC 2230a_106832991635_100012232248 [1,1,0,0,0,0|2,0,0]=4 626 B7R0.1 CCOCCCNC 34a_100000210961_200000210301 [1,1,0,0,0,0|2,0,0]=4 627 B7R0.1 CCOCCCNC 34a_100000213112_100000210202 [1,1,0,0,0,0|2,0,0]=4 628 B7R0.1 CCOCCCNC 34a_100102657272_100012232248 [1,1,0,0,0,0|2,0,0]=4 629 B7R0.1 CCOCCCNC 7a_106832991635_100012232248 [1,1,0,0,0,0|2,0,0]=4 630 B7R0.1 CCOCCCN[13CH3] 2230a_100000210961_200025704644 [1,1,0,0,0,0|2,0,0]=4 631 B7R0.1 CCOCCCN[13CH3] 34a_100000210961_200025704644 [1,1,0,0,0,0|2,0,0]=4 632 B7R0.1 CCOCCCOC 34a_100000740835_100000210202 [1,1,0,0,0,0|2,0,0]=4 633 B7R0.1 CCOCCCOC 34a_100000757476_200000210301 [1,1,0,0,0,0|2,0,0]=4 634 B7R0.1 CCOCCCOC 34a_100121572206_100000740836 [1,1,0,0,0,0|2,0,0]=4 635 B7R0.1 CCOCCCOC 34a_100138415774_100012232248 [1,1,0,0,0,0|2,0,0]=4 636 B7R0.1 CCOCCCOC 7a_100000757476_200000210301 [1,1,0,0,0,0|2,0,0]=4 637 B7R0.1 CCOCCCO[13CH3] 34a_100000757476_200025704644 [1,1,0,0,0,0|2,0,0]=4 638 B7R0.1 CCOCCCO[13CH3] 7a_100000757476_200025704644 [1,1,0,0,0,0|2,0,0]=4 639 B7R0.1 CCOCCCSC 34a_100000690336_100000210202 [1,1,0,0,0,0|2,0,0]=4 640 B7R0.1 CCOCCCSC 62a_100012232248_200000210301 [1,1,0,0,0,0|2,0,0]=4 641 B7R0.1 CCOCCCSC 62a_200000210301_100012232248 [1,1,0,0,0,0|2,0,0]=4 642 B7R0.1 CCOCCCSC 7a_100000690336_100000210202 [1,1,0,0,0,0|2,0,0]=4 643 B7R0.1 CCOCCCS[13CH3] 62a_100012232248_200025704644 [1,1,0,0,0,0|2,0,0]=4 644 B7R0.1 CCOCCCS[13CH3] 62a_200025704644_100012232248 [1,1,0,0,0,0|2,0,0]=4 645 B7R0.1 CCOCCOCC 34a_100000210136_100000210202 [1,1,0,0,0,0|1,0,0]=3 646 B7R0.1 CCOCCOCC 34a_100121572206_100000210147 [1,1,0,0,0,0|1,0,0]=3 647 B7R0.1 CCOCCOCC 7a_100000210136_100000210202 [1,1,0,0,0,0|1,0,0]=3 648 B7R0.1 CCOCCOCF 34a_100000210136_100015361967 [1,1,0,0,0,0|2,0,0]=4 649 B7R0.1 CCOCCOCF 7a_100000210136_100015361967 [1,1,0,0,0,0|2,0,0]=4 650 B7R0.1 CCOCCSCC 34a_100000212035_100000210202 [1,1,0,0,0,0|1,1,0]=4 651 B7R0.1 CCOCCSCC 34a_100121572206_100000757381 [1,1,0,0,0,0|1,1,0]=4 652 B7R0.1 CCOCCSCC 62a_100000210147_100000210202 [1,1,0,0,0,0|1,1,0]=4 653 B7R0.1 CCOCCSCC 62a_100000210202_100011215890 [1,1,0,0,0,0|1,1,0]=4 654 B7R0.1 CCOCCSCC 7a_100000212035_100000210202 [1,1,0,0,0,0|1,1,0]=4 655 B7R0.1 CCOCSCCF 62a_100000739092_100011217306 [1,1,0,0,0,0|1,1,0]=4 656 B7R0.1 CCOCSCCF 62a_100011217306_100000739092 [1,1,0,0,0,0|1,1,0]=4 657 B7R0.1 CCOCSCCO 62a_100000211926_100000739092 [1,1,0,0,0,0|1,1,0]=4 658 B7R0.1 CCOCSCCO 62a_100000739092_100000211926 [1,1,0,0,0,0|1,1,0]=4 659 B7R0.1 CCOCSCOC 62a_100000739092_100000766300 [1,1,0,0,0,0|1,1,0]=4 660 B7R0.1 CCOCSCOC 62a_100000766300_100000739092 [1,1,0,0,0,0|1,1,0]=4 661 B7R0.1 CCOCSCSC 62a_100000739092_100011218213 [1,1,0,0,0,0|1,1,0]=4 662 B7R0.1 CCOCSCSC 62a_100011218213_100000739092 [1,1,0,0,0,0|1,1,0]=4 663 B7R0.4 CCCCOC(C)C 34a_100000210227_100000210206 [1,1,0,0,0,0|2,0,0]=4 664 B7R0.4 CCCCOC(C)C 34a_100000212225_100000210210 [1,1,0,0,0,0|2,0,0]=4 665 B7R0.4 CCCCOC(C)C 7a_100000210227_100000210206 [1,1,0,0,0,0|2,0,0]=4 666 B7R0.4 CCNCOC(C)C 2230a_100015525214_100000709892 [1,1,0,0,0,0|2,0,0]=4 667 B7R0.4 CCOCCC(C)Br 34a_100009893172_100000210202 [1,1,0,0,0,0|2,0,0]=4 668 B7R0.4 CCOCCC(C)C 34a_100000210254_100000210202 [1,1,0,0,0,0|2,0,0]=4 669 B7R0.4 CCOCCC(C)C 34a_100121572206_100000210312 [1,1,0,0,0,0|2,0,0]=4 670 B7R0.4 CCOCCC(C)C 7a_100000210254_100000210202 [1,1,0,0,0,0|2,0,0]=4 671 B7R0.4 CCOCCC(C)O 34a_100121572206_100012276601 [1,1,0,0,0,0|2,0,0]=4 672 B7R0.4 CCOCC[C@@H](C)N 34a_100000706166_100000210202 [1,1,0,0,0,0|2,0,0]=4 673 B7R0.4 CCOCOC(=O)C 34a_100121572206_100009813279 [1,1,0,0,0,0|1,0,1]=4 674 B7R0.4 CCOCOC(C)C 34a_100121572206_100000709892 [1,1,0,0,0,0|1,0,0]=3 675 B7R0.4 CCOCSC(C)C 62a_100000210206_100000739092 [1,1,0,0,0,0|1,1,0]=4 676 B7R0.4 CCOCSC(C)C 62a_100000739092_100000210206 [1,1,0,0,0,0|1,1,0]=4 677 B7R0.4 CCSCOC(C)C 62a_100000210202_100000709892 [1,1,0,0,0,0|1,1,0]=4 678 B7R0.4 CCSCOC(C)C 62a_100000709892_100000210202 [1,1,0,0,0,0|1,1,0]=4 679 B9R0.4 CC(C)OC(=O)CCS[13CH3] 62a_100000760027_200025704644 [0,2,0,0,0,0|2,0,0]=4 680 B9R0.4 CC(C)OC(=O)CCS[13CH3] 62a_200025704644_100000760027 [0,2,0,0,0,0|2,0,0]=4 681 B9R0.4 CC(C)OC(=O)OCS[13CH3] 62a_100000003507_200025704644 [0,2,0,0,0,0|1,0,0]=3 682 B9R0.4 CC(C)OC(=O)OCS[13CH3] 62a_200025704644_100000003507 [0,2,0,0,0,0|1,0,0]=3 683 B9R0.4 CCNCC(=O)OC(C)C 2230a_100015525214_100011215430 [0,2,0,0,0,0|2,0,0]=4 684 B9R0.4 CCOCC(=O)CC(C)C 1458a_100000211967_100000210624 [0,2,0,0,0,0|2,0,0]=4 685 B9R0.4 CCOCC(=O)CC(C)O 1458a_100000211967_100011218427 [0,2,0,0,0,0|2,0,0]=4 686 B9R0.4 CCOCC(=O)NC(C)C 11a_100138425928_100000211967 [0,2,0,0,0,0|2,0,0]=4 687 B9R0.4 CCOCC(=O)NC(C)C 1626a_100138425928_100000211967 [0,2,0,0,0,0|2,0,0]=4 688 B9R0.4 CCOCC(=O)NC(C)C 240690a_100138425928_100000211967 [0,2,0,0,0,0|2,0,0]=4 689 B9R0.4 CCOCC(=O)NC(C)C 34a_100121572206_100000183996 [0,2,0,0,0,0|2,0,0]=4 690 B9R0.4 CCOCC(=O)NC(C)C 527a_100138425928_100000211967 [0,2,0,0,0,0|2,0,0]=4 691 B9R0.4 CCOCC(=O)OC(C)C 34a_100121572206_100011215430 [0,2,0,0,0,0|1,0,0]=3 692 B9R0.4 CCOCC(C)OC(C)C 34a_100000718985_100000210206 [0,2,0,0,0,0|2,0,0]=4 693 B9R0.4 CCOCC(C)OC(C)C 7a_100000718985_100000210206 [0,2,0,0,0,0|2,0,0]=4 694 B9R0.4 CCSCC(=O)OC(C)C 62a_100000210202_100011215430 [0,2,0,0,0,0|1,1,0]=4 695 B9R0.4 CCSCC(=O)OC(C)C 62a_100011215430_100000210202 [0,2,0,0,0,0|1,1,0]=4 696 B9R0.4 CNCCC(=O)OC(C)C 2230a_106832991635_100000760027 [0,2,0,0,0,0|2,0,0]=4 697 B9R0.4 CNCCC(=O)OC(C)C 7a_106832991635_100000760027 [0,2,0,0,0,0|2,0,0]=4 698 B9R0.4 CSCCC(=O)OC(C)C 62a_100000760027_200000210301 [0,2,0,0,0,0|2,0,0]=4 699 B9R0.4 CSCCC(=O)OC(C)C 62a_200000210301_100000760027 [0,2,0,0,0,0|2,0,0]=4 700 B9R0.4 CSCOC(=O)OC(C)C 62a_100000003507_200000210301 [0,2,0,0,0,0|1,0,0]=3 701 B9R0.4 CSCOC(=O)OC(C)C 62a_200000210301_100000003507 [0,2,0,0,0,0|1,0,0]=3 702 B9R0.5 C#CCOCC(=O)OCC 34a_100000210247_100000188475 [0,2,0,0,0,0|1,0,1]=4 703 B9R0.5 C=CCOCC(=O)OCC 34a_200000210373_100000188475 [0,2,0,0,0,0|1,0,1]=4 704 B9R0.5 CCCC(=O)C=COCC 1458a_100016266692_100000210303 [0,2,0,0,0,0|2,0,0]=4 705 B9R0.5 CCCC(=O)CCOCC 1458a_100000211992_100011215890 [0,2,0,0,0,0|2,0,0]=4 706 B9R0.5 CCCC(=O)CCOCC 1458a_100000749530_100000210303 [0,2,0,0,0,0|2,0,0]=4 707 B9R0.5 CCCC(=O)COCCO 1458a_100000708028_100000210303 [0,2,0,0,0,0|2,0,0]=4 708 B9R0.5 CCCC(=O)OCNCC 2230a_100015525214_100000034017 [0,2,0,0,0,0|2,0,0]=4 709 B9R0.5 CCCC(=O)OCOCC 34a_100121572206_100000034017 [0,2,0,0,0,0|2,0,0]=4 710 B9R0.5 CCCC(=O)OCSCC 62a_100000210202_100000034017 [0,2,0,0,0,0|2,0,0]=4 711 B9R0.5 CCCC(=O)OCSCF 62a_100015361967_100000034017 [0,2,0,0,0,0|2,0,0]=4 712 B9R0.5 CCCOCC(=O)CCC 1458a_100000745993_100000210303 [0,2,0,0,0,0|2,0,0]=4 713 B9R0.5 CCCOCC(=O)NCC 11a_100015525214_100000745993 [0,2,0,0,0,0|2,0,0]=4 714 B9R0.5 CCCOCC(=O)NCC 240690a_100015525214_100000745993 [0,2,0,0,0,0|2,0,0]=4 715 B9R0.5 CCCOCC(=O)NCC 34a_100000210258_100000183381 [0,2,0,0,0,0|2,0,0]=4 716 B9R0.5 CCCOCC(=O)NCC 527a_100015525214_100000745993 [0,2,0,0,0,0|2,0,0]=4 717 B9R0.5 CCCOCC(=O)OCC 34a_100000210258_100000188475 [0,2,0,0,0,0|1,0,0]=3 718 B9R0.5 CCCSCC(=O)OCC 62a_100000188475_100000210303 [0,2,0,0,0,0|1,1,0]=4 719 B9R0.5 CCCSCC(=O)OCC 62a_100000210303_100000188475 [0,2,0,0,0,0|1,1,0]=4 720 B9R0.5 CCNC(=O)C=COCC 11a_100015525214_100016266692 [0,2,0,0,0,0|2,0,0]=4 721 B9R0.5 CCNC(=O)C=COCC 240690a_100015525214_100016266692 [0,2,0,0,0,0|2,0,0]=4 722 B9R0.5 CCNC(=O)CCOCC 11a_100015525214_100000749530 [0,2,0,0,0,0|2,0,0]=4 723 B9R0.5 CCNC(=O)CCOCC 240690a_100015525214_100000749530 [0,2,0,0,0,0|2,0,0]=4 724 B9R0.5 CCNC(=O)CCOCC 527a_100015525214_100000749530 [0,2,0,0,0,0|2,0,0]=4 725 B9R0.5 CCNC(=O)COCCBr 34a_100000211926_100000183381 [0,2,0,0,0,0|2,0,0]=4 726 B9R0.5 CCNC(=O)COCCN 34a_100000210304_100000183381 [0,2,0,0,0,0|2,0,0]=4 727 B9R0.5 CCNC(=O)COCCO 240690a_100015525214_100000708028 [0,2,0,0,0,0|2,0,0]=4 728 B9R0.5 CCNCCC(=O)OCC 2230a_100015525214_100011206558 [0,2,0,0,0,0|2,0,0]=4 729 B9R0.5 CCNN=CC(=O)OCC 4a_100000756455_100000742314 [0,2,0,0,0,0|2,0,0]=4 730 B9R0.5 CCOC(=O)/C=C/CNC 2230a_106832991635_100016267167 [0,2,0,0,0,0|2,0,0]=4 731 B9R0.5 CCOC(=O)/C=C/CNC 34a_100102657272_100016267167 [0,2,0,0,0,0|2,0,0]=4 732 B9R0.5 CCOC(=O)/C=C/CNC 7a_106832991635_100016267167 [0,2,0,0,0,0|2,0,0]=4 733 B9R0.5 CCOC(=O)/C=C/COC 34a_100138415774_100016267167 [0,2,0,0,0,0|2,0,0]=4 734 B9R0.5 CCOC(=O)/C=C/CSC 62a_100016267167_200000210301 [0,2,0,0,0,0|2,0,0]=4 735 B9R0.5 CCOC(=O)/C=C/CSC 62a_200000210301_100016267167 [0,2,0,0,0,0|2,0,0]=4 736 B9R0.5 CCOC(=O)/C=C/CS[13CH3] 62a_100016267167_200025704644 [0,2,0,0,0,0|2,0,0]=4 737 B9R0.5 CCOC(=O)/C=C/CS[13CH3] 62a_200025704644_100016267167 [0,2,0,0,0,0|2,0,0]=4 738 B9R0.5 CCOC(=O)CCCNC 2230a_106832991635_100009991533 [0,2,0,0,0,0|2,0,0]=4 739 B9R0.5 CCOC(=O)CCCNC 34a_100102657272_100009991533 [0,2,0,0,0,0|2,0,0]=4 740 B9R0.5 CCOC(=O)CCCNC 7a_106832991635_100011215271 [0,2,0,0,0,0|2,0,0]=4 741 B9R0.5 CCOC(=O)CCCOC 34a_100138415774_100009991533 [0,2,0,0,0,0|2,0,0]=4 742 B9R0.5 CCOC(=O)CCCOC 7a_100012001163_200000210301 [0,2,0,0,0,0|2,0,0]=4 743 B9R0.5 CCOC(=O)CCCO[13CH3] 7a_100012001163_200025704644 [0,2,0,0,0,0|2,0,0]=4 744 B9R0.5 CCOC(=O)CCCSC 62a_100009991533_200000210301 [0,2,0,0,0,0|2,0,0]=4 745 B9R0.5 CCOC(=O)CCCSC 62a_200000210301_100009991533 [0,2,0,0,0,0|2,0,0]=4 746 B9R0.5 CCOC(=O)CCCS[13CH3] 62a_100009991533_200025704644 [0,2,0,0,0,0|2,0,0]=4 747 B9R0.5 CCOC(=O)CCCS[13CH3] 62a_200025704644_100009991533 [0,2,0,0,0,0|2,0,0]=4 748 B9R0.5 CCOC(=O)CCSCC 62a_100000210202_100000765890 [0,2,0,0,0,0|1,1,0]=4 749 B9R0.5 CCOC(=O)CCSCC 62a_100000765890_100000210202 [0,2,0,0,0,0|1,1,0]=4 750 B9R0.5 CCOC(=O)CCSCF 62a_100000765890_100015361967 [0,2,0,0,0,0|2,0,0]=4 751 B9R0.5 CCOC(=O)CCSCF 62a_100015361967_100000765890 [0,2,0,0,0,0|2,0,0]=4 752 B9R0.5 CCOC(=O)CNCCF 34a_100000724931_100000188475 [0,2,0,0,0,0|2,0,0]=4 753 B9R0.5 CCOC(=O)CNCCO 2230a_100016997473_100000188475 [0,2,0,0,0,0|2,0,0]=4 754 B9R0.5 CCOC(=O)CNCCO 34a_100016990907_100000188475 [0,2,0,0,0,0|2,0,0]=4 755 B9R0.5 CCOC(=O)COCCBr 34a_100000211926_100000188475 [0,2,0,0,0,0|1,0,0]=3 756 B9R0.5 CCOC(=O)COCCN 34a_100000210304_100000188475 [0,2,0,0,0,0|1,0,0]=3 757 B9R0.5 CCOC(=O)CSCCF 62a_100000188475_100011217306 [0,2,0,0,0,0|1,1,0]=4 758 B9R0.5 CCOC(=O)CSCCF 62a_100011217306_100000188475 [0,2,0,0,0,0|1,1,0]=4 759 B9R0.5 CCOC(=O)CSCCO 62a_100000188475_100000211926 [0,2,0,0,0,0|1,1,0]=4 760 B9R0.5 CCOC(=O)CSCCO 62a_100000211926_100000188475 [0,2,0,0,0,0|1,1,0]=4 761 B9R0.5 CCOC(=O)CSCOC 62a_100000188475_100000766300 [0,2,0,0,0,0|1,1,0]=4 762 B9R0.5 CCOC(=O)CSCOC 62a_100000766300_100000188475 [0,2,0,0,0,0|1,1,0]=4 763 B9R0.5 CCOC(=O)CSCSC 62a_100000188475_100011218213 [0,2,0,0,0,0|1,1,0]=4 764 B9R0.5 CCOC(=O)CSCSC 62a_100011218213_100000188475 [0,2,0,0,0,0|1,1,0]=4 765 B9R0.5 CCOC(=O)NCCNC 7a_106832991635_200011445536 [0,2,0,0,0,0|2,0,0]=4 766 B9R0.5 CCOC(=O)NCCOC 34a_100000158857_200000210301 [0,2,0,0,0,0|2,0,0]=4 767 B9R0.5 CCOC(=O)NCCO[13CH3] 34a_100000158857_200025704644 [0,2,0,0,0,0|2,0,0]=4 768 B9R0.5 CCOC(=O)NCCSC 62a_200000210301_200011445536 [0,2,0,0,0,0|2,0,0]=4 769 B9R0.5 CCOC(=O)NCCS[13CH3] 62a_200025704644_200011445536 [0,2,0,0,0,0|2,0,0]=4 770 B9R0.5 CCOC(=O)OCSCC 62a_100000210202_100000075025 [0,2,0,0,0,0|1,0,0]=3 771 B9R0.5 CCOC(=O)OCSCF 62a_100015361967_100000075025 [0,2,0,0,0,0|1,0,0]=3 772 B9R0.5 CCOCCC(=O)OCC 34a_100121572206_100000765890 [0,2,0,0,0,0|1,0,0]=3 773 B9R0.8 CCOCC(=O)C(C)CC 1458a_100000211967_100000758301 [0,2,0,0,0,0|2,0,0]=4 774 B9R0.8 CCOCC(=O)N(C)CC 11a_100000225621_100000211967 [0,2,0,0,0,0|2,0,0]=4 775 B9R0.8 CCOCC(=O)N(C)CC 1626a_100000225621_100000211967 [0,2,0,0,0,0|2,0,0]=4 776 B9R0.8 CCOCC(=O)N(C)CC 240690a_100000225621_100000211967 [0,2,0,0,0,0|2,0,0]=4 777 B9R0.8 CCOCC(=O)N(C)CC 34a_100121572206_100000738999 [0,2,0,0,0,0|2,0,0]=4 778 B9R0.8 CCOCC(=O)N(C)CC 527a_100000225621_100000211967 [0,2,0,0,0,0|2,0,0]=4 779 B9R0.18 C=C(COCC)OCOC 34a_100121572206_100000042856 [0,2,0,0,0,0|2,0,0]=4 780 B9R0.18 C=CCOC(=O)COCC 34a_100121572206_100000033060 [0,2,0,0,0,0|1,0,1]=4 781 B9R0.18 CCCCC(=O)COCC 1458a_100000211967_100000210211 [0,2,0,0,0,0|2,0,0]=4 782 B9R0.18 CCCNC(=O)COCC 11a_100020643023_100000211967 [0,2,0,0,0,0|2,0,0]=4 783 B9R0.18 CCCNC(=O)COCC 1626a_100020643023_100000211967 [0,2,0,0,0,0|2,0,0]=4 784 B9R0.18 CCCNC(=O)COCC 240690a_100020643023_100000211967 [0,2,0,0,0,0|2,0,0]=4 785 B9R0.18 CCCNC(=O)COCC 34a_100121572206_100000183358 [0,2,0,0,0,0|2,0,0]=4 786 B9R0.18 CCCNC(=O)COCC 527a_100020643023_100000211967 [0,2,0,0,0,0|2,0,0]=4 787 B9R0.18 CCCOC(=O)CNCC 2230a_100015525214_200011215008 [0,2,0,0,0,0|2,0,0]=4 788 B9R0.18 CCCOC(=O)COCC 34a_100121572206_200011215008 [0,2,0,0,0,0|1,0,0]=3 789 B9R0.18 CCCOC(=O)CSCC 62a_100000210202_200011215008 [0,2,0,0,0,0|1,1,0]=4 790 B9R0.18 CCCOC(=O)CSCC 62a_200011215008_100000210202 [0,2,0,0,0,0|1,1,0]=4 791 B9R0.18 CCCOC(=O)OCNC 34a_100102657272_200000139673 [0,2,0,0,0,0|1,0,0]=3 792 B9R0.18 CCCOC(=O)OCNC 7a_106832991635_200000139673 [0,2,0,0,0,0|1,0,0]=3 793 B9R0.18 CCCOC(=O)OCOC 34a_100138415774_200000139673 [0,2,0,0,0,0|1,0,0]=3 794 B9R0.18 CCCOC(=O)OCSC 62a_200000210301_200000139673 [0,2,0,0,0,0|1,0,0]=3 795 B9R0.18 CCCOC(=O)OCS[13CH3] 62a_200025704644_200000139673 [0,2,0,0,0,0|1,0,0]=3 796 B9R0.18 CCCOC(C)COCC 34a_100000718985_100000210303 [0,2,0,0,0,0|2,0,0]=4 797 B9R0.18 CCCOC(C)COCC 7a_100000718985_100000210303 [0,2,0,0,0,0|2,0,0]=4 798 B9R0.18 CCNNC(=O)COCC 22a_100000756455_100000211967 [0,2,0,0,0,0|2,0,0]=4 799 B9R0.18 CCOCC(=O)CCCF 1458a_100000211967_100011934791 [0,2,0,0,0,0|2,0,0]=4 800 B9R0.18 CCOCC(=O)CCCO 1458a_100000211967_100011215043 [0,2,0,0,0,0|2,0,0]=4 801 B9R0.18 CCOCC(=O)CCOC 1458a_100000211967_100000233755 [0,2,0,0,0,0|2,0,0]=4 802 B9R0.18 CCOCC(=O)CCSC 1458a_100000211967_100000751147 [0,2,0,0,0,0|2,0,0]=4 803 B9R0.18 CCOCC(=O)NCCF 11a_100000724931_100000211967 [0,2,0,0,0,0|2,0,0]=4 804 B9R0.18 CCOCC(=O)NCCF 1626a_100000724931_100000211967 [0,2,0,0,0,0|2,0,0]=4 805 B9R0.18 CCOCC(=O)NCCF 240690a_100000724931_100000211967 [0,2,0,0,0,0|2,0,0]=4 806 B9R0.18 CCOCC(=O)NCCF 527a_100000724931_100000211967 [0,2,0,0,0,0|2,0,0]=4 807 B9R0.18 CCOCC(=O)NCCO 240690a_100000210304_100000211967 [0,2,0,0,0,0|2,0,0]=4 808 B9R0.18 CCOCC(=O)NCCO 527a_100000210304_100000211967 [0,2,0,0,0,0|2,0,0]=4 809 B9R0.18 CCOCC(C)OCCF 34a_100000718985_100011217306 [0,2,0,0,0,0|2,0,0]=4 810 B9R0.18 CCOCC(C)OCCF 7a_100000718985_100011217306 [0,2,0,0,0,0|2,0,0]=4 811 B9R0.18 CCOCC(C)OCCO 34a_100000718985_100000211926 [0,2,0,0,0,0|2,0,0]=4 812 B9R0.18 CCOCC(C)OCCO 7a_100000718985_100000211926 [0,2,0,0,0,0|2,0,0]=4 813 B9R0.18 CCOCC(C)OCSC 34a_100000718985_100011218213 [0,2,0,0,0,0|2,0,0]=4 814 B9R0.18 CCOC[C@@H](C)OCOC 34a_100016172286_100000210202 [0,2,0,0,0,0|2,0,0]=4 815 B9R0.18 CCOC[C@@H](C)OCOC 7a_100016172286_100000210202 [0,2,0,0,0,0|2,0,0]=4 816 B9R0.34 CCOC(=O)CC(=O)CC 1458a_100000210414_100000188475 [0,2,0,0,0,0|2,0,0]=4 817 B9R0.34 CCOC(=O)CC(=O)CC 1458a_100000243816_100000210202 [0,2,0,0,0,0|2,0,0]=4 818 B9R0.34 CCOC(=O)CC(C)NC 2230a_106832991635_100009817359 [0,2,0,0,0,0|2,0,0]=4 819 B9R0.34 CCOC(=O)CC(C)NC 7a_106832991635_100009817359 [0,2,0,0,0,0|2,0,0]=4 820 B9R0.34 CCOC(=O)CC(C)SC 62a_100009817359_200000210301 [0,2,0,0,0,0|2,0,0]=4 821 B9R0.34 CCOC(=O)CC(C)SC 62a_200000210301_100009817359 [0,2,0,0,0,0|2,0,0]=4 822 B9R0.34 CCOC(=O)CC(C)S[13CH3] 62a_100009817359_200025704644 [0,2,0,0,0,0|2,0,0]=4 823 B9R0.34 CCOC(=O)CC(C)S[13CH3] 62a_200025704644_100009817359 [0,2,0,0,0,0|2,0,0]=4 824 B9R0.34 CCOC(=O)CN(C)CC 2230a_100000220588_100000210202 [0,2,0,0,0,0|2,0,0]=4 825 B9R0.34 CCOC(=O)CN(C)CC 2230a_100000220607_200000210301 [0,2,0,0,0,0|2,0,0]=4 826 B9R0.34 CCOC(=O)CN(C)CC 2230a_100000225621_100000188475 [0,2,0,0,0,0|2,0,0]=4 827 B9R0.34 CCOC(=O)CN(C)CC 269982a_100000220607_200000210301 [0,2,0,0,0,0|2,0,0]=4 828 B9R0.34 CCOC(=O)CN(C)CC 269982a_100000225621_100000188475 [0,2,0,0,0,0|2,0,0]=4 829 B9R0.34 CCOC(=O)CN([13CH3])CC 2230a_100000220607_200025704644 [0,2,0,0,0,0|2,0,0]=4 830 B9R0.34 CCOC(=O)CN([13CH3])CC 269982a_100000220607_200025704644 [0,2,0,0,0,0|2,0,0]=4 831 B9R0.34 CCOC(=O)C[C@@H](C)OC 7a_100009816390_200000210301 [0,2,0,0,0,0|2,0,0]=4 832 B9R0.34 CCOC(=O)C[C@@H](C)O[13CH3] 7a_100009816390_200025704644 [0,2,0,0,0,0|2,0,0]=4 833 B9R0.34 CCOC(=O)OC(C)SC 62a_100000036008_200000210301 [0,2,0,0,0,0|1,0,0]=3 834 B9R0.34 CCOC(=O)OC(C)SC 62a_200000210301_100000036008 [0,2,0,0,0,0|1,0,0]=3 835 B9R0.34 CCOC(=O)OC(C)S[13CH3] 62a_100000036008_200025704644 [0,2,0,0,0,0|1,0,0]=3 836 B9R0.34 CCOC(=O)OC(C)S[13CH3] 62a_200025704644_100000036008 [0,2,0,0,0,0|1,0,0]=3 837 B9R0.35 C=C(CNC)C(=O)OCC 34a_100102657272_100000755967 [0,2,0,0,0,0|2,0,0]=4 838 B9R0.35 C=C(CNC)C(=O)OCC 7a_106832991635_100000755967 [0,2,0,0,0,0|2,0,0]=4 839 B9R0.35 C=C(COC)C(=O)OCC 34a_100138415774_100000755967 [0,2,0,0,0,0|2,0,0]=4 840 B9R0.35 C=C(CSC)C(=O)OCC 62a_100000755967_200000210301 [0,2,0,0,0,0|2,0,0]=4 841 B9R0.35 C=C(CSC)C(=O)OCC 62a_200000210301_100000755967 [0,2,0,0,0,0|2,0,0]=4 842 B9R0.35 C=C(CS[13CH3])C(=O)OCC 62a_100000755967_200025704644 [0,2,0,0,0,0|2,0,0]=4 843 B9R0.35 C=C(CS[13CH3])C(=O)OCC 62a_200025704644_100000755967 [0,2,0,0,0,0|2,0,0]=4 844 B9R0.35 CCCC(=O)C(C)OCC 1458a_100000739345_100000210303 [0,2,0,0,0,0|2,0,0]=4 845 B9R0.35 CCNC(=O)C(=O)OCC 11a_100015525214_100014798877 [0,2,0,0,0,0|2,0,0]=4 846 B9R0.35 CCNC(=O)C(=O)OCC 240690a_100015525214_100014798877 [0,2,0,0,0,0|2,0,0]=4 847 B9R0.35 CCNC(=O)C(C)OCC 11a_100015525214_100000739345 [0,2,0,0,0,0|2,0,0]=4 848 B9R0.35 CCNC(=O)C(C)OCC 240690a_100015525214_100000739345 [0,2,0,0,0,0|2,0,0]=4 849 B9R0.35 CCNC(=O)C(C)OCC 34a_100121572206_100000230173 [0,2,0,0,0,0|2,0,0]=4 850 B9R0.35 CCNC(=O)C(C)OCC 527a_100015525214_100000739345 [0,2,0,0,0,0|2,0,0]=4 851 B9R0.35 CCNC(C)C(=O)OCC 2230a_100015525214_100011215307 [0,2,0,0,0,0|2,0,0]=4 852 B9R0.35 CCNC(F)C(=O)OCC 2230a_100015525214_100000760018 [0,2,0,0,0,0|2,0,0]=4 853 B9R0.35 CCOC(=O)C(=O)CSC 62a_100000211299_200000210301 [0,2,0,0,0,0|2,0,0]=4 854 B9R0.35 CCOC(=O)C(=O)CSC 62a_200000210301_100000211299 [0,2,0,0,0,0|2,0,0]=4 855 B9R0.35 CCOC(=O)C(=O)CS[13CH3] 62a_100000211299_200025704644 [0,2,0,0,0,0|2,0,0]=4 856 B9R0.35 CCOC(=O)C(=O)CS[13CH3] 62a_200025704644_100000211299 [0,2,0,0,0,0|2,0,0]=4 857 B9R0.35 CCOC(=O)C(C)OCC 34a_100121572206_100011216346 [0,2,0,0,0,0|1,0,0]=3 858 B9R0.35 CCOC(=O)C(C)SCC 62a_100000210202_100011216346 [0,2,0,0,0,0|1,1,0]=4 859 B9R0.35 CCOC(=O)C(C)SCC 62a_100011216346_100000210202 [0,2,0,0,0,0|1,1,0]=4 860 B9R0.35 CCOC(=O)C(F)OCC 34a_100121572206_100000760018 [0,2,0,0,0,0|1,0,0]=3 861 B9R0.35 CCOC(=O)C(F)SCC 62a_100000210202_100000760018 [0,2,0,0,0,0|1,1,0]=4 862 B9R0.35 CCOC(=O)C(F)SCC 62a_100000760018_100000210202 [0,2,0,0,0,0|1,1,0]=4 863 B9R0.35 CCOC(=O)[C@H](C)OCC 7a_100000751109_100000210202 [0,2,0,0,0,0|1,0,0]=3 864 B9R0.35 CCOC(=O)[C@H](C)OCF 7a_100000751109_100015361967 [0,2,0,0,0,0|2,0,0]=4 865 B9R0.40 CCOCC(CN)OCC 34a_102515437182_100000210202 [0,2,0,0,0,0|2,0,0]=4 866 B9R0.48 CCCC(=O)COC(C)C 1458a_100000745533_100000210303 [0,2,0,0,0,0|2,0,0]=4 867 B9R0.48 CCCC(=O)OCC(=O)C 1458a_100000070787_100000034017 [0,2,0,0,0,0|2,0,0]=4 868 B9R0.48 CCCC(=O)OCN(C)C 2230a_100102631434_100000034017 [0,2,0,0,0,0|2,0,0]=4 869 B9R0.48 CCCC(=O)OCN(C)C 269982a_100102631434_100000034017 [0,2,0,0,0,0|2,0,0]=4 870 B9R0.48 CCNC(=O)COC(C)C 11a_100015525214_100000745533 [0,2,0,0,0,0|2,0,0]=4 871 B9R0.48 CCNC(=O)COC(C)C 240690a_100015525214_100000745533 [0,2,0,0,0,0|2,0,0]=4 872 B9R0.48 CCNC(=O)COC(C)C 34a_100000212225_100000183381 [0,2,0,0,0,0|2,0,0]=4 873 B9R0.48 CCNC(=O)COC(C)C 527a_100015525214_100000745533 [0,2,0,0,0,0|2,0,0]=4 874 B9R0.48 CCOC(=O)CCC(=O)C 1458a_100000183558_200000210301 [0,2,0,0,0,0|2,0,0]=4 875 B9R0.48 CCOC(=O)CCC(=O)[13CH3] 1458a_100000183558_200025704644 [0,2,0,0,0,0|2,0,0]=4 876 B9R0.48 CCOC(=O)CCN(C)C 2230a_100000745921_200000210301 [0,2,0,0,0,0|2,0,0]=4 877 B9R0.48 CCOC(=O)CCN(C)C 2230a_100102631434_100011206558 [0,2,0,0,0,0|2,0,0]=4 878 B9R0.48 CCOC(=O)CCN(C)C 269982a_100000745921_200000210301 [0,2,0,0,0,0|2,0,0]=4 879 B9R0.48 CCOC(=O)CCN(C)C 269982a_100102631434_100011206558 [0,2,0,0,0,0|2,0,0]=4 880 B9R0.48 CCOC(=O)CCN(C)[13CH3] 2230a_100000745921_200025704644 [0,2,0,0,0,0|2,0,0]=4 881 B9R0.48 CCOC(=O)CCN(C)[13CH3] 269982a_100000745921_200025704644 [0,2,0,0,0,0|2,0,0]=4 882 B9R0.48 CCOC(=O)CNC(C)C 2230a_100138425928_100000188475 [0,2,0,0,0,0|2,0,0]=4 883 B9R0.48 CCOC(=O)CNC(C)C 34a_100138425928_100000188475 [0,2,0,0,0,0|2,0,0]=4 884 B9R0.48 CCOC(=O)COC(C)C 34a_100000212225_100000188475 [0,2,0,0,0,0|1,0,0]=3 885 B9R0.48 CCOC(=O)CSC(C)C 62a_100000188475_100000210206 [0,2,0,0,0,0|1,1,0]=4 886 B9R0.48 CCOC(=O)CSC(C)C 62a_100000210206_100000188475 [0,2,0,0,0,0|1,1,0]=4 887 B9R0.48 CCOC(=O)NCC(=O)C 1458a_100000190774_200000210301 [0,2,0,0,0,0|2,0,0]=4 888 B9R0.48 CCOC(=O)NCC(=O)[13CH3] 1458a_100000190774_200025704644 [0,2,0,0,0,0|2,0,0]=4 889 B9R0.37 CCOC(=O)C(CC)NC 2230a_106832991635_100000212269 [0,2,0,0,0,0|2,0,0]=4 890 B9R0.37 CCOC(=O)C(CC)NC 34a_100102657272_100000212269 [0,2,0,0,0,0|2,0,0]=4 891 B9R0.37 CCOC(=O)C(CC)NC 7a_106832991635_100000212269 [0,2,0,0,0,0|2,0,0]=4 892 B9R0.37 CCOC(=O)C(CC)OC 34a_100011216719_200000210301 [0,2,0,0,0,0|2,0,0]=4 893 B9R0.37 CCOC(=O)C(CC)OC 34a_100138415774_100000212269 [0,2,0,0,0,0|2,0,0]=4 894 B9R0.37 CCOC(=O)C(CC)OC 7a_100011216719_200000210301 [0,2,0,0,0,0|2,0,0]=4 895 B9R0.37 CCOC(=O)C(CC)O[13CH3] 34a_100011216719_200025704644 [0,2,0,0,0,0|2,0,0]=4 896 B9R0.37 CCOC(=O)C(CC)O[13CH3] 7a_100011216719_200025704644 [0,2,0,0,0,0|2,0,0]=4 897 B9R0.37 CCOC(=O)C(CC)SC 62a_100000212269_200000210301 [0,2,0,0,0,0|2,0,0]=4 898 B9R0.37 CCOC(=O)C(CC)SC 62a_200000210301_100000212269 [0,2,0,0,0,0|2,0,0]=4 899 B9R0.37 CCOC(=O)C(CC)S[13CH3] 62a_100000212269_200025704644 [0,2,0,0,0,0|2,0,0]=4 900 B9R0.37 CCOC(=O)C(CC)S[13CH3] 62a_200025704644_100000212269 [0,2,0,0,0,0|2,0,0]=4 901 B9R0.15 CCCC(OCC)C(=O)N 34a_100011626294_100000210202 [0,2,0,0,0,0|2,0,0]=4 902 B9R0.15 CCCC(OCC)C(=O)N 7a_100011626294_100000210202 [0,2,0,0,0,0|2,0,0]=4 903 B9R0.15 CCOC(OCC)C(=O)C 1458a_100000082760_200000210301 [0,2,0,0,0,0|1,0,0]=3 904 B9R0.15 CCOC(OCC)C(=O)[13CH3] 1458a_100000082760_200025704644 [0,2,0,0,0,0|1,0,0]=3 905 B9R0.15 CCOC(OCC)C(F)F 34a_100000038436_100000210202 [0,2,0,0,0,0|2,0,0]=4 906 B9R0.15 CCOC(OCC)C(F)F 7a_100000038436_100000210202 [0,2,0,0,0,0|2,0,0]=4 907 B9R0.17 CCOC(CNC)OCC 2230a_106832991635_100000210512 [0,2,0,0,0,0|2,0,0]=4 908 B9R0.17 CCOC(CNC)OCC 34a_100000211098_200000210301 [0,2,0,0,0,0|2,0,0]=4 909 B9R0.17 CCOC(CNC)OCC 34a_100102657272_100000210512 [0,2,0,0,0,0|2,0,0]=4 910 B9R0.17 CCOC(CNC)OCC 7a_106832991635_100000210512 [0,2,0,0,0,0|2,0,0]=4 911 B9R0.17 CCOC(CN[13CH3])OCC 34a_100000211098_200025704644 [0,2,0,0,0,0|2,0,0]=4 912 B9R0.17 CCOC(COC)OCC 34a_100011216334_200000210301 [0,2,0,0,0,0|1,0,1]=4 913 B9R0.17 CCOC(COC)OCC 34a_100138415774_100000210512 [0,2,0,0,0,0|1,0,1]=4 914 B9R0.17 CCOC(COC)OCC 7a_100011216334_200000210301 [0,2,0,0,0,0|1,0,1]=4 915 B9R0.17 CCOC(CO[13CH3])OCC 34a_100011216334_200025704644 [0,2,0,0,0,0|1,0,1]=4 916 B9R0.17 CCOC(CO[13CH3])OCC 7a_100011216334_200025704644 [0,2,0,0,0,0|1,0,1]=4 917 B9R0.17 CCOC(CSC)OCC 62a_100000210512_200000210301 [0,2,0,0,0,0|1,1,0]=4 918 B9R0.17 CCOC(CSC)OCC 62a_200000210301_100000210512 [0,2,0,0,0,0|1,1,0]=4 919 B9R0.17 CCOC(CS[13CH3])OCC 62a_100000210512_200025704644 [0,2,0,0,0,0|1,1,0]=4 920 B9R0.17 CCOC(CS[13CH3])OCC 62a_200025704644_100000210512 [0,2,0,0,0,0|1,1,0]=4 921 B7R1.1 COC1CCCO1 34a_100000085407_200000210301 [1,0,0,1,0,0|2,0,0]=4 922 B7R1.1 [13CH3]OC1CCCO1 34a_100000085407_200025704644 [1,0,0,1,0,0|2,0,0]=4 923 B7R1.6 CCOC1CCC1 34a_100000748187_100000210202 [1,0,0,1,0,0|2,0,0]=4 924 B7R1.6 CCOC1CCC1 34a_100121572206_100000749161 [1,0,0,1,0,0|2,0,0]=4 925 B7R1.21 CCOC1(CC1)C 7a_100011725673_100000210202 [1,0,0,1,0,0|2,0,0]=4 926 B7R1.22 CCC(=O)C1CC1 1458a_100000210395_100000210202 [1,0,0,1,0,0|2,0,0]=4 927 B7R1.7 CCOCC1CC1 34a_100000211283_100000210202 [1,0,0,1,0,0|2,0,0]=4 928 B7R1.7 CCOCC1CC1 34a_100121572206_100000742324 [1,0,0,1,0,0|2,0,0]=4 929 B9R1.2 CCN1CCOC(=O)C1 2230a_100000131268_100000210202 [0,1,0,1,0,0|2,0,0]=4 930 B9R1.8 CCOC1CCCCO1 34a_100000033831_100000210202 [0,1,0,1,0,0|2,0,0]=4 931 B9R1.8 CCOC1CCCOC1 34a_100000754041_100000210202 [0,1,0,1,0,0|2,0,0]=4 932 B9R1.8 CCOC1CCCOC1 34a_100121572206_100000693364 [0,1,0,1,0,0|2,0,0]=4 933 B9R1.12 CCCOC1CCCO1 34a_100000085407_100000210303 [0,1,0,1,0,0|2,0,0]=4 934 B9R1.12 CCOCC1CCCO1 34a_100000210270_100000210202 [0,1,0,1,0,0|2,0,0]=4 935 B9R1.12 CCOCC1CCCO1 7a_100000210270_100000210202 [0,1,0,1,0,0|2,0,0]=4 936 B9R1.12 CCOCC1OCCO1 34a_100000087154_100000210202 [0,1,0,1,0,0|1,0,1]=4 937 B9R1.12 CCOCC1OCCO1 34a_100121572206_100000755774 [0,1,0,1,0,0|1,0,1]=4 938 B9R1.12 CSCOC1CCCO1 34a_100000085407_100011218213 [0,1,0,1,0,0|2,0,0]=4 939 B9R1.12 FCCOC1CCCO1 34a_100000085407_100011217306 [0,1,0,1,0,0|2,0,0]=4 940 B9R1.12 OCCOC1CCCO1 34a_100000085407_100000211926 [0,1,0,1,0,0|2,0,0]=4 941 B9R1.33 CCNC1CCOC1=O 2230a_100015525214_100000211211 [0,1,0,1,0,0|2,0,0]=4 942 B9R1.33 CCOC1CCCC1=O 34a_100121572206_100000709159 [0,1,0,1,0,0|2,0,0]=4 943 B9R1.33 CCOC1CCCC1=O 34a_200000719330_100000210202 [0,1,0,1,0,0|2,0,0]=4 944 B9R1.33 CCOC1CCOC1=O 34a_100121572206_100000211211 [0,1,0,1,0,0|1,0,0]=3 945 B9R1.33 CCO[C@H]1CCNC1=O 34a_100000688343_100000210202 [0,1,0,1,0,0|2,0,0]=4 946 B9R1.33 CCSC1CCOC1=O 62a_100000210202_100000211211 [0,1,0,1,0,0|1,1,0]=4 947 B9R1.33 CCSC1CCOC1=O 62a_100000211211_100000210202 [0,1,0,1,0,0|1,1,0]=4 948 B9R1.73 CCCC(=O)C1CCO1 1458a_100000089072_100000210303 [0,1,0,1,0,0|2,0,0]=4 949 B9R1.73 CCNC(=O)C1CCO1 11a_100015525214_100000089072 [0,1,0,1,0,0|2,0,0]=4 950 B9R1.73 CCNC(=O)C1CCO1 240690a_100015525214_100000089072 [0,1,0,1,0,0|2,0,0]=4 951 B9R1.73 CCNC(=O)C1CCO1 527a_100015525214_100000089072 [0,1,0,1,0,0|2,0,0]=4 952 B9R1.100 CCOCC(=O)C1CC1 34a_100000686663_100000210202 [0,1,0,1,0,0|2,0,0]=4 953 B9R1.100 CCOCC(=O)C1CC1 34a_100121572206_100000746382 [0,1,0,1,0,0|2,0,0]=4 954 B9R1.100 CNCOC(=O)C1CC1 2230a_106832991635_100000140896 [0,1,0,1,0,0|2,0,0]=4 955 B9R1.100 CNCOC(=O)C1CC1 34a_100102657272_100000140896 [0,1,0,1,0,0|2,0,0]=4 956 B9R1.100 COCOC(=O)C1CC1 34a_100138415774_100000140896 [0,1,0,1,0,0|2,0,0]=4 957 B9R1.100 CSCOC(=O)C1CC1 62a_100000140896_200000210301 [0,1,0,1,0,0|2,0,0]=4 958 B9R1.100 CSCOC(=O)C1CC1 62a_200000210301_100000140896 [0,1,0,1,0,0|2,0,0]=4 959 B9R1.100 [13CH3]SCOC(=O)C1CC1 62a_100000140896_200025704644 [0,1,0,1,0,0|2,0,0]=4 960 B9R1.100 [13CH3]SCOC(=O)C1CC1 62a_200025704644_100000140896 [0,1,0,1,0,0|2,0,0]=4 961 B9R1.13 CC(C)OC1CCCO1 34a_100000085407_100000210206 [0,1,0,1,0,0|2,0,0]=4