0 B7R0.5 C#CCC(=O)C(C)C 1458a_100000210198_100000184674 [0,0,0,0,0,0|2,0,2]=4 1 B7R0.5 C#CCC(=O)C(C)C 1458a_100011220946_100000210206 [0,0,0,0,0,0|2,0,2]=4 2 B7R0.5 C#CCC(=O)C(C)F 1458a_100000062450_100000184674 [0,0,0,0,0,0|2,0,2]=4 3 B7R0.5 C#CCC(=O)[C@@H](C)O 1458a_100000717761_100000184674 [0,0,0,0,0,0|1,1,2]=4 4 B7R0.5 C#CCC(=O)[C@H](C)O 1458a_217856618621_100000184674 [0,0,0,0,0,0|1,1,2]=4 5 B7R0.5 C=C(Br)C(=O)NCC 11a_100015525214_100009813364 [0,0,0,0,0,0|2,0,2]=4 6 B7R0.5 C=C(C)C(=O)CCC 1458a_100000185857_100000210303 [0,0,0,0,0,0|2,0,1]=3 7 B7R0.5 C=C(C)C(=O)CCF 1458a_100000185857_100011217306 [0,0,0,0,0,0|3,0,1]=4 8 B7R0.5 C=C(C)C(=O)CCO 1458a_100000185857_100000211926 [0,0,0,0,0,0|3,0,1]=4 9 B7R0.5 C=C(C)C(=O)NCC 11a_100015525214_100000185857 [0,0,0,0,0,0|2,0,1]=3 10 B7R0.5 C=C(C)C(=O)NNC 22a_100016993582_100000185857 [0,0,0,0,0,0|3,0,1]=4 11 B7R0.5 C=C(Cl)C(=O)NCC 11a_100015525214_100000039160 [0,0,0,0,0,0|2,0,2]=4 12 B7R0.5 C=C(F)C(=O)NCC 11a_100015525214_100000036797 [0,0,0,0,0,0|2,0,2]=4 13 B7R0.5 C=CCC(=O)C(C)C 1458a_100000210193_100000210206 [0,0,0,0,0,0|2,0,2]=4 14 B7R0.5 C=CCC(=O)C(C)C 1458a_100000210198_100000210623 [0,0,0,0,0,0|2,0,2]=4 15 B7R0.5 C=CCC(=O)C(C)F 1458a_100000062450_100000210623 [0,0,0,0,0,0|2,0,2]=4 16 B7R0.5 C=CCC(=O)[C@@H](C)O 1458a_100000717761_100000210623 [0,0,0,0,0,0|1,1,2]=4 17 B7R0.5 C=CCC(=O)[C@H](C)O 1458a_217856618621_100000210623 [0,0,0,0,0,0|1,1,2]=4 18 B7R0.5 CC#CC(=O)C(C)C 1458a_100000763181_100000210206 [0,0,0,0,0,0|2,0,1]=3 19 B7R0.5 CC(=O)C(=O)CS[13CH3] 62a_100011261029_200025704644 [0,0,0,0,0,0|2,1,1]=4 20 B7R0.5 CC(=O)C(=O)CS[13CH3] 62a_200025704644_100011261029 [0,0,0,0,0,0|2,1,1]=4 21 B7R0.5 CC(C)C(=O)C=CBr 1458a_100016273825_100000210206 [0,0,0,0,0,0|3,0,1]=4 22 B7R0.5 CC(C)C(=O)C=CCl 1458a_200016279998_100000210206 [0,0,0,0,0,0|3,0,1]=4 23 B7R0.5 CC(C)C(=O)C=CI 1458a_100016256311_100000210206 [0,0,0,0,0,0|3,0,1]=4 24 B7R0.5 CC(C)C(=O)CC#N 1458a_100000210198_100011214920 [0,0,0,0,0,0|3,0,1]=4 25 B7R0.5 CC(C)C(=O)CC#N 1458a_100051588842_100000210206 [0,0,0,0,0,0|3,0,1]=4 26 B7R0.5 CC(C)C(=O)CCF 1458a_100000210198_100011217306 [0,0,0,0,0,0|3,0,0]=3 27 B7R0.5 CC(C)C(=O)CCO 1458a_100000210198_100000211926 [0,0,0,0,0,0|3,0,0]=3 28 B7R0.5 CC(C)C(=O)CCO 1458a_100011216618_100000210206 [0,0,0,0,0,0|3,0,0]=3 29 B7R0.5 CC(C)C(=O)CS[13CH3] 62a_100000753385_200025704644 [0,0,0,0,0,0|3,0,0]=3 30 B7R0.5 CC(C)C(=O)CS[13CH3] 62a_200025704644_100000753385 [0,0,0,0,0,0|3,0,0]=3 31 B7R0.5 CC(C)C(C)OCF 7a_100000748068_100015361967 [0,0,0,0,0,0|3,0,1]=4 32 B7R0.5 CC(F)C(=O)CC#N 1458a_100000062450_100011214920 [0,0,0,0,0,0|3,0,1]=4 33 B7R0.5 CC(F)C(=O)CCF 1458a_100000062450_100011217306 [0,0,0,0,0,0|3,0,0]=3 34 B7R0.5 CC(F)C(=O)CCO 1458a_100000062450_100000211926 [0,0,0,0,0,0|3,0,0]=3 35 B7R0.5 CC/C=C(\C)/C(=O)C 1458a_100016988807_200000210301 [0,0,0,0,0,0|2,1,1]=4 36 B7R0.5 CC/C=C(\C)/C(=O)[13CH3] 1458a_100016988807_200025704644 [0,0,0,0,0,0|2,1,1]=4 37 B7R0.5 CC=CC(=O)C(C)C 1458a_100000210699_100000210206 [0,0,0,0,0,0|2,0,1]=3 38 B7R0.5 CC=CC(=O)N(C)C 11a_100102631434_100000210699 [0,0,0,0,0,0|3,0,1]=4 39 B7R0.5 CC=CC(=O)N(C)C 1626a_100102631434_100000210699 [0,0,0,0,0,0|3,0,1]=4 40 B7R0.5 CC=CC(=O)N(C)C 240690a_100102631434_100000210699 [0,0,0,0,0,0|3,0,1]=4 41 B7R0.5 CCCC(=O)C(C)C 1458a_100000210198_100000210303 [0,0,0,0,0,0|2,0,0]=2 42 B7R0.5 CCCC(=O)C(C)C 1458a_100000211992_100000210206 [0,0,0,0,0,0|2,0,0]=2 43 B7R0.5 CCCC(=O)C(C)F 1458a_100000062450_100000210303 [0,0,0,0,0,0|2,0,0]=2 44 B7R0.5 CCCC(=O)C(O)O 1458a_100000233687_100000210303 [0,0,0,0,0,0|2,1,0]=3 45 B7R0.5 CCCC(=O)N(C)C 11a_100102631434_100000211992 [0,0,0,0,0,0|3,0,0]=3 46 B7R0.5 CCCC(=O)N(C)C 1626a_100102631434_100000211992 [0,0,0,0,0,0|3,0,0]=3 47 B7R0.5 CCCC(=O)N(C)C 240690a_100102631434_100000211992 [0,0,0,0,0,0|3,0,0]=3 48 B7R0.5 CCCC(=O)N(C)C 527a_100102631434_100000211992 [0,0,0,0,0,0|3,0,0]=3 49 B7R0.5 CCCC(=O)[C@@H](C)O 1458a_100000717761_100000210303 [0,0,0,0,0,0|1,1,0]=2 50 B7R0.5 CCCC(=O)[C@H](C)O 1458a_217856618621_100000210303 [0,0,0,0,0,0|1,1,0]=2 51 B7R0.5 CCCN(C)C(C)C 2230a_100000747261_100000210206 [0,0,0,0,0,0|4,0,0]=4 52 B7R0.5 CCCN(C)C(C)C 2230a_106256033942_200000210301 [0,0,0,0,0,0|4,0,0]=4 53 B7R0.5 CCCN(C)C(C)C 269982a_100000747261_100000210206 [0,0,0,0,0,0|4,0,0]=4 54 B7R0.5 CCCN(C)C(C)C 269982a_106256033942_200000210301 [0,0,0,0,0,0|4,0,0]=4 55 B7R0.5 CCCN(C)C(C)C 269982a_200000211004_100000210303 [0,0,0,0,0,0|4,0,0]=4 56 B7R0.5 CCCN([13CH3])C(C)C 2230a_106256033942_200025704644 [0,0,0,0,0,0|4,0,0]=4 57 B7R0.5 CCCN([13CH3])C(C)C 269982a_106256033942_200025704644 [0,0,0,0,0,0|4,0,0]=4 58 B7R0.5 CCNC(=O)C(=O)C 1458a_200011297158_200000210301 [0,0,0,0,0,0|1,1,1]=3 59 B7R0.5 CCNC(=O)C(=O)N 240690a_100015525214_100011215815 [0,0,0,0,0,0|2,1,1]=4 60 B7R0.5 CCNC(=O)C(=O)[13CH3] 1458a_200011297158_200025704644 [0,0,0,0,0,0|1,1,1]=3 61 B7R0.5 CCNC(=O)C(C)C 11a_100015525214_100000210198 [0,0,0,0,0,0|2,0,0]=2 62 B7R0.5 CCNC(=O)C(C)C 240690a_100015525214_100000210198 [0,0,0,0,0,0|2,0,0]=2 63 B7R0.5 CCNC(=O)C(C)C 527a_100015525214_100000210198 [0,0,0,0,0,0|2,0,0]=2 64 B7R0.5 CCNC(=O)C(C)F 11a_100015525214_100000062450 [0,0,0,0,0,0|2,0,0]=2 65 B7R0.5 CCNC(=O)C(C)F 240690a_100015525214_100000062450 [0,0,0,0,0,0|2,0,0]=2 66 B7R0.5 CCNC(=O)C(C)F 527a_100015525214_100000062450 [0,0,0,0,0,0|2,0,0]=2 67 B7R0.5 CCNC(=O)C(F)F 11a_100015525214_100000210393 [0,0,0,0,0,0|3,0,0]=3 68 B7R0.5 CCNC(=O)C(F)F 240690a_100015525214_100000210393 [0,0,0,0,0,0|3,0,0]=3 69 B7R0.5 CCNC(=O)C(F)F 527a_100015525214_100000210393 [0,0,0,0,0,0|3,0,0]=3 70 B7R0.5 CCNC(=O)C(O)O 240690a_100015525214_100000233687 [0,0,0,0,0,0|2,1,0]=3 71 B7R0.5 CCNC(=O)N(C)C 2708a_100015525214_100102631434 [0,0,0,0,0,0|3,0,0]=3 72 B7R0.5 CCNC(=O)[C@@H](C)O 240690a_100015525214_100000717761 [0,0,0,0,0,0|1,1,0]=2 73 B7R0.5 CCNC(=O)[C@H](C)O 240690a_100015525214_217856618621 [0,0,0,0,0,0|1,1,0]=2 74 B7R0.5 CCNC(C)C(C)C 2230a_100000211541_100000210202 [0,0,0,0,0,0|3,0,1]=4 75 B7R0.5 CCOC(C)C(=O)C 1458a_100000739345_200000210301 [0,0,0,0,0,0|1,1,2]=4 76 B7R0.5 CCOC(C)C(=O)C 34a_100000212229_100000210202 [0,0,0,0,0,0|1,1,2]=4 77 B7R0.5 CCOC(C)C(=O)[13CH3] 1458a_100000739345_200025704644 [0,0,0,0,0,0|1,1,2]=4 78 B7R0.5 CCOC(C)C(C)C 7a_100000748068_100000210202 [0,0,0,0,0,0|2,0,1]=3 79 B7R0.5 CN(C)C(=O)CCO 240690a_100102631434_100011216618 [0,0,0,0,0,0|4,0,0]=4 80 B7R0.5 CN(C)C(=O)CN[13CH3] 2230a_100015183351_200025704644 [0,0,0,0,0,0|4,0,0]=4 81 B7R0.5 CN(C)C(=O)CS[13CH3] 62a_100000692301_200025704644 [0,0,0,0,0,0|4,0,0]=4 82 B7R0.5 CN(C)C(=O)CS[13CH3] 62a_200025704644_100000692301 [0,0,0,0,0,0|4,0,0]=4 83 B7R0.5 CNCC(=O)C(=O)C 34a_100102657272_100011261029 [0,0,0,0,0,0|2,1,1]=4 84 B7R0.5 CNCC(=O)C(C)C 2230a_106832991635_100000753385 [0,0,0,0,0,0|3,0,0]=3 85 B7R0.5 CNCC(=O)C(C)C 34a_100102657272_100000753385 [0,0,0,0,0,0|3,0,0]=3 86 B7R0.5 CNCC(=O)C(C)C 7a_106832991635_100000753385 [0,0,0,0,0,0|3,0,0]=3 87 B7R0.5 CNCC(=O)N(C)C 2230a_100015183351_200000210301 [0,0,0,0,0,0|4,0,0]=4 88 B7R0.5 CNCC(=O)N(C)C 2230a_106832991635_100000185267 [0,0,0,0,0,0|4,0,0]=4 89 B7R0.5 CNCC(=O)N(C)C 34a_100102657272_100000692301 [0,0,0,0,0,0|4,0,0]=4 90 B7R0.5 CNCC(=O)N(C)C 7a_106832991635_100000692301 [0,0,0,0,0,0|4,0,0]=4 91 B7R0.5 CNNC(=O)C(C)C 22a_100016993582_100000210198 [0,0,0,0,0,0|3,0,0]=3 92 B7R0.5 CNNC(=O)C(C)F 22a_100016993582_100000062450 [0,0,0,0,0,0|3,0,0]=3 93 B7R0.5 CNNC(=O)C(F)F 22a_100016993582_100000210393 [0,0,0,0,0,0|4,0,0]=4 94 B7R0.5 CNNC(=O)C(O)O 22a_100016993582_100000233687 [0,0,0,0,0,0|3,1,0]=4 95 B7R0.5 CNNC(=O)[C@@H](C)O 22a_100016993582_100000717761 [0,0,0,0,0,0|2,1,0]=3 96 B7R0.5 CNNC(=O)[C@H](C)O 22a_100016993582_217856618621 [0,0,0,0,0,0|2,1,0]=3 97 B7R0.5 COCC(=O)C(=O)C 34a_100138415774_100011261029 [0,0,0,0,0,0|2,1,1]=4 98 B7R0.5 COCC(=O)C(C)C 1458a_100000210968_100000210206 [0,0,0,0,0,0|3,0,0]=3 99 B7R0.5 COCC(=O)C(C)C 34a_100138415774_100000753385 [0,0,0,0,0,0|3,0,0]=3 100 B7R0.5 COCC(=O)N(C)C 11a_100102631434_100000210968 [0,0,0,0,0,0|4,0,0]=4 101 B7R0.5 COCC(=O)N(C)C 1626a_100102631434_100000210968 [0,0,0,0,0,0|4,0,0]=4 102 B7R0.5 COCC(=O)N(C)C 240690a_100102631434_100000210968 [0,0,0,0,0,0|4,0,0]=4 103 B7R0.5 COCC(=O)N(C)C 34a_100138415774_100000692301 [0,0,0,0,0,0|4,0,0]=4 104 B7R0.5 COCC(=O)N(C)C 527a_100102631434_100000210968 [0,0,0,0,0,0|4,0,0]=4 105 B7R0.5 CSCC(=O)C(=O)C 62a_100011261029_200000210301 [0,0,0,0,0,0|2,1,1]=4 106 B7R0.5 CSCC(=O)C(=O)C 62a_200000210301_100011261029 [0,0,0,0,0,0|2,1,1]=4 107 B7R0.5 CSCC(=O)C(C)C 1458a_100000184570_100000210206 [0,0,0,0,0,0|3,0,0]=3 108 B7R0.5 CSCC(=O)C(C)C 62a_100000753385_200000210301 [0,0,0,0,0,0|3,0,0]=3 109 B7R0.5 CSCC(=O)C(C)C 62a_200000210301_100000753385 [0,0,0,0,0,0|3,0,0]=3 110 B7R0.5 CSCC(=O)N(C)C 11a_100102631434_100000184570 [0,0,0,0,0,0|4,0,0]=4 111 B7R0.5 CSCC(=O)N(C)C 1626a_100102631434_100000184570 [0,0,0,0,0,0|4,0,0]=4 112 B7R0.5 CSCC(=O)N(C)C 240690a_100102631434_100000184570 [0,0,0,0,0,0|4,0,0]=4 113 B7R0.5 CSCC(=O)N(C)C 527a_100102631434_100000184570 [0,0,0,0,0,0|4,0,0]=4 114 B7R0.5 CSCC(=O)N(C)C 62a_100000692301_200000210301 [0,0,0,0,0,0|4,0,0]=4 115 B7R0.5 CSCC(=O)N(C)C 62a_200000210301_100000692301 [0,0,0,0,0,0|4,0,0]=4 116 B7R0.5 C[C@@H](O)C(=O)CC#N 1458a_100000717761_100011214920 [0,0,0,0,0,0|2,1,1]=4 117 B7R0.5 C[C@@H](O)C(=O)CCF 1458a_100000717761_100011217306 [0,0,0,0,0,0|2,1,0]=3 118 B7R0.5 C[C@@H](O)C(=O)CCO 1458a_100000717761_100000211926 [0,0,0,0,0,0|2,1,0]=3 119 B7R0.5 C[C@H](O)C(=O)CC#N 1458a_217856618621_100011214920 [0,0,0,0,0,0|2,1,1]=4 120 B7R0.5 C[C@H](O)C(=O)CCF 1458a_217856618621_100011217306 [0,0,0,0,0,0|2,1,0]=3 121 B7R0.5 C[C@H](O)C(=O)CCO 1458a_217856618621_100000211926 [0,0,0,0,0,0|2,1,0]=3 122 B7R0.5 O=C(CCF)C(O)O 1458a_100000233687_100011217306 [0,0,0,0,0,0|3,1,0]=4 123 B7R0.5 O=C(CCO)C(O)O 1458a_100000233687_100000211926 [0,0,0,0,0,0|3,1,0]=4 124 B6R0.1 C#CC(=O)CCC 1458a_100000211873_100000210303 [1,0,0,0,0,0|1,0,2]=4 125 B6R0.1 C#CCC(=O)CC 1458a_100000210414_100000184674 [1,0,0,0,0,0|1,0,2]=4 126 B6R0.1 C#CCC(=O)CC 1458a_100011220946_100000210202 [1,0,0,0,0,0|1,0,2]=4 127 B6R0.1 C=CC(=O)CCC 1458a_100000185746_100000210303 [1,0,0,0,0,0|1,0,2]=4 128 B6R0.1 C=CC(=O)NCC 240690a_100015525214_200121576911 [1,0,0,0,0,0|1,0,2]=4 129 B6R0.1 C=CCC(=O)CC 1458a_100000210193_100000210202 [1,0,0,0,0,0|1,0,2]=4 130 B6R0.1 C=CCC(=O)CC 1458a_100000210414_100000210623 [1,0,0,0,0,0|1,0,2]=4 131 B6R0.1 CC#CC(=O)CC 1458a_100000763181_100000210202 [1,0,0,0,0,0|1,0,1]=3 132 B6R0.1 CC#CC(=O)CF 1458a_100000763181_100015361967 [1,0,0,0,0,0|2,0,1]=4 133 B6R0.1 CC=CC(=O)CC 1458a_100000210699_100000210202 [1,0,0,0,0,0|1,0,1]=3 134 B6R0.1 CC=CC(=O)CF 1458a_100000210699_100015361967 [1,0,0,0,0,0|2,0,1]=4 135 B6R0.1 CC=CC(=O)NC 11a_106832991635_100000210699 [1,0,0,0,0,0|2,0,1]=4 136 B6R0.1 CC=CC(=O)NC 1626a_100102657272_100000210699 [1,0,0,0,0,0|2,0,1]=4 137 B6R0.1 CC=CC(=O)NC 240690a_100102657272_100000210699 [1,0,0,0,0,0|2,0,1]=4 138 B6R0.1 CCC(=O)C=CBr 1458a_100016273825_100000210202 [1,0,0,0,0,0|2,0,1]=4 139 B6R0.1 CCC(=O)C=CCl 1458a_200016279998_100000210202 [1,0,0,0,0,0|2,0,1]=4 140 B6R0.1 CCC(=O)C=CI 1458a_100016256311_100000210202 [1,0,0,0,0,0|2,0,1]=4 141 B6R0.1 CCC(=O)CC#N 1458a_100000210414_100011214920 [1,0,0,0,0,0|2,0,1]=4 142 B6R0.1 CCC(=O)CC#N 1458a_100051588842_100000210202 [1,0,0,0,0,0|2,0,1]=4 143 B6R0.1 CCC(=O)CCF 1458a_100000210414_100011217306 [1,0,0,0,0,0|2,0,0]=3 144 B6R0.1 CCC(=O)CCO 1458a_100000210414_100000211926 [1,0,0,0,0,0|2,0,0]=3 145 B6R0.1 CCC(=O)CCO 1458a_100011216618_100000210202 [1,0,0,0,0,0|2,0,0]=3 146 B6R0.1 CCC(=O)CNC 7a_106832991635_100000747405 [1,0,0,0,0,0|2,0,0]=3 147 B6R0.1 CCC(=O)COC 1458a_100000210968_100000210202 [1,0,0,0,0,0|2,0,0]=3 148 B6R0.1 CCC(=O)COC 34a_100000725409_200000210301 [1,0,0,0,0,0|2,0,0]=3 149 B6R0.1 CCC(=O)CO[13CH3] 34a_100000725409_200025704644 [1,0,0,0,0,0|2,0,0]=3 150 B6R0.1 CCC(=O)CSC 1458a_100000184570_100000210202 [1,0,0,0,0,0|2,0,0]=3 151 B6R0.1 CCC(=O)CSC 62a_100000747405_200000210301 [1,0,0,0,0,0|2,0,0]=3 152 B6R0.1 CCC(=O)CSC 62a_200000210301_100000747405 [1,0,0,0,0,0|2,0,0]=3 153 B6R0.1 CCC(=O)CS[13CH3] 62a_100000747405_200025704644 [1,0,0,0,0,0|2,0,0]=3 154 B6R0.1 CCC(=O)CS[13CH3] 62a_200025704644_100000747405 [1,0,0,0,0,0|2,0,0]=3 155 B6R0.1 CCC(=O)NNC 22a_100016993582_100000210414 [1,0,0,0,0,0|2,0,0]=3 156 B6R0.1 CCC(C)OCF 7a_100000210228_100015361967 [1,0,0,0,0,0|2,0,1]=4 157 B6R0.1 CCCC(=O)CC 1458a_100000210414_100000210303 [1,0,0,0,0,0|1,0,0]=2 158 B6R0.1 CCCC(=O)CC 1458a_100000211992_100000210202 [1,0,0,0,0,0|1,0,0]=2 159 B6R0.1 CCCC(=O)CF 1458a_100000211992_100015361967 [1,0,0,0,0,0|2,0,0]=3 160 B6R0.1 CCCC(=O)CO 1458a_100000210174_100000210303 [1,0,0,0,0,0|1,1,0]=3 161 B6R0.1 CCCC(=O)NC 11a_106832991635_100000211992 [1,0,0,0,0,0|2,0,0]=3 162 B6R0.1 CCCC(=O)NC 1626a_100102657272_100000211992 [1,0,0,0,0,0|2,0,0]=3 163 B6R0.1 CCCC(=O)NC 240690a_100102657272_100000211992 [1,0,0,0,0,0|2,0,0]=3 164 B6R0.1 CCCC(=O)NC 527a_100102657272_100000211992 [1,0,0,0,0,0|2,0,0]=3 165 B6R0.1 CCCN(C)CC 2230a_100000225621_100000210303 [1,0,0,0,0,0|3,0,0]=4 166 B6R0.1 CCCN(C)CC 2230a_100000226822_200000210301 [1,0,0,0,0,0|3,0,0]=4 167 B6R0.1 CCCN(C)CC 2230a_100000747261_100000210202 [1,0,0,0,0,0|3,0,0]=4 168 B6R0.1 CCCN(C)CC 269982a_100000225621_100000210303 [1,0,0,0,0,0|3,0,0]=4 169 B6R0.1 CCCN(C)CC 269982a_100000226822_200000210301 [1,0,0,0,0,0|3,0,0]=4 170 B6R0.1 CCCN(C)CC 269982a_100000747261_100000204670 [1,0,0,0,0,0|3,0,0]=4 171 B6R0.1 CCCN([13CH3])CC 2230a_100000226822_200025704644 [1,0,0,0,0,0|3,0,0]=4 172 B6R0.1 CCCN([13CH3])CC 269982a_100000226822_200025704644 [1,0,0,0,0,0|3,0,0]=4 173 B6R0.1 CCNC(=O)CC 11a_100015525214_100000210414 [1,0,0,0,0,0|1,0,0]=2 174 B6R0.1 CCNC(=O)CC 240690a_100015525214_100000210414 [1,0,0,0,0,0|1,0,0]=2 175 B6R0.1 CCNC(=O)CC 527a_100015525214_100000210414 [1,0,0,0,0,0|1,0,0]=2 176 B6R0.1 CCNC(=O)CO 240690a_100015525214_100000210174 [1,0,0,0,0,0|1,1,0]=3 177 B6R0.1 CCNC(=O)CO 527a_100015525214_100000210174 [1,0,0,0,0,0|1,1,0]=3 178 B6R0.1 CCNC(=O)NC 2708a_100015525214_106832991635 [1,0,0,0,0,0|2,0,0]=3 179 B6R0.1 CCNC(=O)NC 2708a_100102657272_100015525214 [1,0,0,0,0,0|2,0,0]=3 180 B6R0.1 CCNC(=O)NC 273464a_100015525214_100102657272 [1,0,0,0,0,0|2,0,0]=3 181 B6R0.1 CCNC(=O)NC 273464a_100102657272_100015525214 [1,0,0,0,0,0|2,0,0]=3 182 B6R0.1 CCNC(=O)NC 512a_100015525214_100102657272 [1,0,0,0,0,0|2,0,0]=3 183 B6R0.1 CCNC(=O)NC 512a_106832991638_100015525214 [1,0,0,0,0,0|2,0,0]=3 184 B6R0.1 CCNC(C)CC 2230a_100000209981_100000210202 [1,0,0,0,0,0|2,0,1]=4 185 B6R0.1 CCNC(C)CC 2230a_100015525214_100000758301 [1,0,0,0,0,0|2,0,1]=4 186 B6R0.1 CCOC(C)CC 34a_100121572206_100011215416 [1,0,0,0,0,0|1,0,1]=3 187 B6R0.1 CCOC(C)CC 7a_100000210228_100000210202 [1,0,0,0,0,0|1,0,1]=3 188 B6R0.1 CCOC(C)CF 34a_100016041109_100000210202 [1,0,0,0,0,0|2,0,1]=4 189 B6R0.1 CCOC(C)CF 7a_100016041109_100000210202 [1,0,0,0,0,0|2,0,1]=4 190 B6R0.1 CCOC(C)CN 34a_100000210904_100000210202 [1,0,0,0,0,0|2,0,1]=4 191 B6R0.1 CCOC(C)CO 34a_100121572206_100012180447 [1,0,0,0,0,0|1,1,1]=4 192 B6R0.1 CCSC(C)CC 62a_100000210202_100000758301 [1,0,0,0,0,0|1,1,1]=4 193 B6R0.1 CCSC(C)CC 62a_100000758301_100000210202 [1,0,0,0,0,0|1,1,1]=4 194 B6R0.1 CNC(=O)CCO 240690a_100102657272_100011216618 [1,0,0,0,0,0|3,0,0]=4 195 B6R0.1 CNC(=O)CN[13CH3] 2230a_100000693194_200025704644 [1,0,0,0,0,0|3,0,0]=4 196 B6R0.1 CNC(=O)COC 11a_106832991635_100000210968 [1,0,0,0,0,0|3,0,0]=4 197 B6R0.1 CNC(=O)COC 1626a_100102657272_100000210968 [1,0,0,0,0,0|3,0,0]=4 198 B6R0.1 CNC(=O)COC 240690a_100102657272_100000210968 [1,0,0,0,0,0|3,0,0]=4 199 B6R0.1 CNC(=O)COC 34a_100000750040_200000210301 [1,0,0,0,0,0|3,0,0]=4 200 B6R0.1 CNC(=O)COC 34a_100138415774_100000183359 [1,0,0,0,0,0|3,0,0]=4 201 B6R0.1 CNC(=O)COC 527a_100102657272_100000210968 [1,0,0,0,0,0|3,0,0]=4 202 B6R0.1 CNC(=O)CO[13CH3] 34a_100000750040_200025704644 [1,0,0,0,0,0|3,0,0]=4 203 B6R0.1 CNC(=O)CSC 11a_106832991635_100000184570 [1,0,0,0,0,0|3,0,0]=4 204 B6R0.1 CNC(=O)CSC 1626a_100102657272_100000184570 [1,0,0,0,0,0|3,0,0]=4 205 B6R0.1 CNC(=O)CSC 240690a_100102657272_100000184570 [1,0,0,0,0,0|3,0,0]=4 206 B6R0.1 CNC(=O)CSC 527a_100102657272_100000184570 [1,0,0,0,0,0|3,0,0]=4 207 B6R0.1 CNC(=O)CSC 62a_100000183359_200000210301 [1,0,0,0,0,0|3,0,0]=4 208 B6R0.1 CNC(=O)CSC 62a_200000210301_100000183359 [1,0,0,0,0,0|3,0,0]=4 209 B6R0.1 CNC(=O)CS[13CH3] 62a_100000183359_200025704644 [1,0,0,0,0,0|3,0,0]=4 210 B6R0.1 CNC(=O)CS[13CH3] 62a_200025704644_100000183359 [1,0,0,0,0,0|3,0,0]=4 211 B6R0.1 CNCC(=O)NC 2230a_100000693194_200000210301 [1,0,0,0,0,0|3,0,0]=4 212 B6R0.1 CNCC(=O)NC 2230a_106832991635_100000183359 [1,0,0,0,0,0|3,0,0]=4 213 B6R0.1 CNCC(=O)NC 34a_100102657272_100000183359 [1,0,0,0,0,0|3,0,0]=4 214 B6R0.1 CNCC(=O)NC 7a_106832991635_100000183359 [1,0,0,0,0,0|3,0,0]=4 215 B6R0.1 CNCC(=O)OC 2230a_106832991635_100000747449 [1,0,0,0,0,0|3,0,0]=4 216 B6R0.1 CNCC(=O)OC 34a_100102657272_100000747449 [1,0,0,0,0,0|3,0,0]=4 217 B6R0.1 CNCC(=O)OC 7a_106832991635_100000747449 [1,0,0,0,0,0|3,0,0]=4 218 B6R0.1 CNNC(=O)CO 22a_100016993582_100000210174 [1,0,0,0,0,0|2,1,0]=4 219 B6R0.1 CNNC(=O)NC 273464a_100102657272_100016993582 [1,0,0,0,0,0|3,0,0]=4 220 B6R0.1 CNNC(=O)NC 512a_100016993582_100102657272 [1,0,0,0,0,0|3,0,0]=4 221 B6R0.1 CNNC(=O)NC 512a_106832991638_100016993582 [1,0,0,0,0,0|3,0,0]=4 222 B6R0.1 COC(=O)CSC 62a_100000747449_200000210301 [1,0,0,0,0,0|3,0,0]=4 223 B6R0.1 COC(=O)CSC 62a_200000210301_100000747449 [1,0,0,0,0,0|3,0,0]=4 224 B6R0.1 COC(=O)CS[13CH3] 62a_100000747449_200025704644 [1,0,0,0,0,0|3,0,0]=4 225 B6R0.1 COC(=O)CS[13CH3] 62a_200025704644_100000747449 [1,0,0,0,0,0|3,0,0]=4 226 B6R0.1 COCC(=O)CF 1458a_100000210968_100015361967 [1,0,0,0,0,0|3,0,0]=4 227 B6R0.1 COCC(=O)OC 34a_100138415774_100000747449 [1,0,0,0,0,0|3,0,0]=4 228 B6R0.1 CSCC(=O)CF 1458a_100000184570_100015361967 [1,0,0,0,0,0|3,0,0]=4 229 B6R0.1 O=C(CF)CCO 1458a_100011216618_100015361967 [1,0,0,0,0,0|3,0,0]=4 230 B6R0.1 O=C(CO)CCF 1458a_100000210174_100011217306 [1,0,0,0,0,0|2,1,0]=4 231 B6R0.1 O=C(CO)CCO 1458a_100000210174_100000211926 [1,0,0,0,0,0|2,1,0]=4 232 B6R0.3 C#CC(=O)C(C)C 1458a_100000211873_100000210206 [1,0,0,0,0,0|1,0,2]=4 233 B6R0.3 C=C(C)C(=O)CC 1458a_100000185857_100000210202 [1,0,0,0,0,0|1,0,1]=3 234 B6R0.3 C=C(C)C(=O)CF 1458a_100000185857_100015361967 [1,0,0,0,0,0|2,0,1]=4 235 B6R0.3 C=C(C)C(=O)NC 11a_106832991635_100000185857 [1,0,0,0,0,0|2,0,1]=4 236 B6R0.3 C=C(C)C(=O)NC 1626a_100102657272_100000185857 [1,0,0,0,0,0|2,0,1]=4 237 B6R0.3 C=CC(=O)C(C)C 1458a_100000185746_100000210206 [1,0,0,0,0,0|1,0,2]=4 238 B6R0.3 CC(C)C(=O)CF 1458a_100000210198_100015361967 [1,0,0,0,0,0|2,0,0]=3 239 B6R0.3 CC(C)C(=O)CO 1458a_100000210174_100000210206 [1,0,0,0,0,0|2,0,0]=3 240 B6R0.3 CC(C)C(C)O[13CH3] 7a_100000748068_200025704644 [1,0,0,0,0,0|2,0,1]=4 241 B6R0.3 CC(F)C(=O)CF 1458a_100000062450_100015361967 [1,0,0,0,0,0|2,0,0]=3 242 B6R0.3 CCC(=O)C(C)C 1458a_100000210198_100000210202 [1,0,0,0,0,0|1,0,0]=2 243 B6R0.3 CCC(=O)C(C)C 1458a_100000210414_100000210206 [1,0,0,0,0,0|1,0,0]=2 244 B6R0.3 CCC(=O)C(C)F 1458a_100000062450_100000210202 [1,0,0,0,0,0|1,0,0]=2 245 B6R0.3 CCC(=O)C(O)O 1458a_100000233687_100000210202 [1,0,0,0,0,0|1,1,0]=3 246 B6R0.3 CCC(=O)N(C)C 11a_100102631434_100000210414 [1,0,0,0,0,0|2,0,0]=3 247 B6R0.3 CCC(=O)N(C)C 1626a_100102631434_100000210414 [1,0,0,0,0,0|2,0,0]=3 248 B6R0.3 CCC(=O)N(C)C 240690a_100102631434_100000210414 [1,0,0,0,0,0|2,0,0]=3 249 B6R0.3 CCC(=O)N(C)C 527a_100102631434_100000210414 [1,0,0,0,0,0|2,0,0]=3 250 B6R0.3 CCC(=O)[C@@H](C)O 1458a_100000717761_100000210202 [1,0,0,0,0,0|0,1,0]=2 251 B6R0.3 CCC(=O)[C@H](C)O 1458a_217856618621_100000210202 [1,0,0,0,0,0|0,1,0]=2 252 B6R0.3 CCN(C)C(C)C 2230a_100000223864_200000210301 [1,0,0,0,0,0|3,0,0]=4 253 B6R0.3 CCN(C)C(C)C 2230a_100000225621_100000210206 [1,0,0,0,0,0|3,0,0]=4 254 B6R0.3 CCN(C)C(C)C 269982a_100000223864_200000210301 [1,0,0,0,0,0|3,0,0]=4 255 B6R0.3 CCN(C)C(C)C 269982a_100000225621_100000210206 [1,0,0,0,0,0|3,0,0]=4 256 B6R0.3 CCN(C)C(C)C 269982a_200000211004_100000204670 [1,0,0,0,0,0|3,0,0]=4 257 B6R0.3 CCN([13CH3])C(C)C 2230a_100000223864_200025704644 [1,0,0,0,0,0|3,0,0]=4 258 B6R0.3 CCN([13CH3])C(C)C 269982a_100000223864_200025704644 [1,0,0,0,0,0|3,0,0]=4 259 B6R0.3 CN(C)C(=O)CO 240690a_100102631434_100000210174 [1,0,0,0,0,0|3,0,0]=4 260 B6R0.3 CN(C)C(=O)CO 527a_100102631434_100000210174 [1,0,0,0,0,0|3,0,0]=4 261 B6R0.3 CNC(=O)C(=O)C 1458a_100011218921_200000210301 [1,0,0,0,0,0|1,1,1]=4 262 B6R0.3 CNC(=O)C(=O)[13CH3] 1458a_100011218921_200025704644 [1,0,0,0,0,0|1,1,1]=4 263 B6R0.3 CNC(=O)C(C)C 11a_106832991635_100000210198 [1,0,0,0,0,0|2,0,0]=3 264 B6R0.3 CNC(=O)C(C)C 1626a_100102657272_100000210198 [1,0,0,0,0,0|2,0,0]=3 265 B6R0.3 CNC(=O)C(C)C 240690a_100102657272_100000210198 [1,0,0,0,0,0|2,0,0]=3 266 B6R0.3 CNC(=O)C(C)C 527a_100102657272_100000210198 [1,0,0,0,0,0|2,0,0]=3 267 B6R0.3 CNC(=O)C(C)F 11a_106832991635_100000062450 [1,0,0,0,0,0|2,0,0]=3 268 B6R0.3 CNC(=O)C(C)F 1626a_100102657272_100000062450 [1,0,0,0,0,0|2,0,0]=3 269 B6R0.3 CNC(=O)C(C)F 240690a_100102657272_100000062450 [1,0,0,0,0,0|2,0,0]=3 270 B6R0.3 CNC(=O)C(C)F 527a_100102657272_100000062450 [1,0,0,0,0,0|2,0,0]=3 271 B6R0.3 CNC(=O)C(F)F 11a_106832991635_100000210393 [1,0,0,0,0,0|3,0,0]=4 272 B6R0.3 CNC(=O)C(F)F 1626a_100102657272_100000210393 [1,0,0,0,0,0|3,0,0]=4 273 B6R0.3 CNC(=O)C(F)F 240690a_100102657272_100000210393 [1,0,0,0,0,0|3,0,0]=4 274 B6R0.3 CNC(=O)C(F)F 527a_100102657272_100000210393 [1,0,0,0,0,0|3,0,0]=4 275 B6R0.3 CNC(=O)C(O)O 240690a_100102657272_100000233687 [1,0,0,0,0,0|2,1,0]=4 276 B6R0.3 CNC(=O)N(C)C 2708a_100102657272_100102631434 [1,0,0,0,0,0|3,0,0]=4 277 B6R0.3 CNC(=O)[C@@H](C)O 240690a_100102657272_100000717761 [1,0,0,0,0,0|1,1,0]=3 278 B6R0.3 CNC(=O)[C@H](C)O 1626a_100102657272_217856618621 [1,0,0,0,0,0|1,1,0]=3 279 B6R0.3 CNC(=O)[C@H](C)O 240690a_100102657272_217856618621 [1,0,0,0,0,0|1,1,0]=3 280 B6R0.3 COC(C)C(C)C 7a_100000748068_200000210301 [1,0,0,0,0,0|2,0,1]=4 281 B6R0.3 C[C@@H](O)C(=O)CF 1458a_100000717761_100015361967 [1,0,0,0,0,0|1,1,0]=3 282 B6R0.3 C[C@H](O)C(=O)CF 1458a_217856618621_100015361967 [1,0,0,0,0,0|1,1,0]=3 283 B6R0.3 O=C(CF)C(O)O 1458a_100000233687_100015361967 [1,0,0,0,0,0|2,1,0]=4 284 B6R0.4 C=C(C)COCC 34a_100000210245_100000210202 [1,0,0,0,0,0|1,0,2]=4 285 B6R0.4 C=C(C)COCC 34a_100121572206_100000748629 [1,0,0,0,0,0|1,0,2]=4 286 B6R0.4 CC(Br)COCF 34a_100012180447_100015361967 [1,0,0,0,0,0|2,0,1]=4 287 B6R0.4 CC(C)COCF 34a_100000210257_100015361967 [1,0,0,0,0,0|2,0,1]=4 288 B6R0.4 CC(F)COCF 34a_100015925927_100015361967 [1,0,0,0,0,0|2,0,1]=4 289 B6R0.4 CCC=CC(=O)C 1458a_100000212282_200000210301 [1,0,0,0,0,0|1,1,1]=4 290 B6R0.4 CCC=CC(=O)[13CH3] 1458a_100000212282_200025704644 [1,0,0,0,0,0|1,1,1]=4 291 B6R0.4 CCCNC(C)C 2230a_100138425928_100000210303 [1,0,0,0,0,0|3,0,0]=4 292 B6R0.4 CCCNC(C)C 34a_100138425928_100000210303 [1,0,0,0,0,0|3,0,0]=4 293 B6R0.4 CCCOC(C)C 34a_100000210258_100000210206 [1,0,0,0,0,0|3,0,0]=4 294 B6R0.4 CCCOC(C)C 34a_100000212225_100000210303 [1,0,0,0,0,0|3,0,0]=4 295 B6R0.4 CCCSC(C)C 62a_100000210206_100000210303 [1,0,0,0,0,0|3,0,0]=4 296 B6R0.4 CCCSC(C)C 62a_100000210303_100000210206 [1,0,0,0,0,0|3,0,0]=4 297 B6R0.4 CCNCC(C)C 2230a_100000210953_100000210202 [1,0,0,0,0,0|2,0,1]=4 298 B6R0.4 CCNCC(C)C 2230a_100015525214_100000210760 [1,0,0,0,0,0|2,0,1]=4 299 B6R0.4 CCNCC(C)C 270004a_100015525214_100000210432 [1,0,0,0,0,0|2,0,1]=4 300 B6R0.4 CCNCC(C)C 34a_100000210953_100000210202 [1,0,0,0,0,0|2,0,1]=4 301 B6R0.4 CCNCC(C)O 2230a_100000210904_100000210202 [1,0,0,0,0,0|1,1,1]=4 302 B6R0.4 CCNCC(C)O 2230a_100015525214_100011218427 [1,0,0,0,0,0|1,1,1]=4 303 B6R0.4 CCNCC(C)O 34a_100000210904_100000210202 [1,0,0,0,0,0|1,1,1]=4 304 B6R0.4 CCNC[C@@H](C)O 2230a_100015525214_100009817552 [1,0,0,0,0,0|1,1,1]=4 305 B6R0.4 CCOCC(=O)C 1458a_100000211967_200000210301 [1,0,0,0,0,0|0,1,2]=4 306 B6R0.4 CCOCC(=O)C 34a_100000211253_100000210202 [1,0,0,0,0,0|0,1,2]=4 307 B6R0.4 CCOCC(=O)[13CH3] 1458a_100000211967_200025704644 [1,0,0,0,0,0|0,1,2]=4 308 B6R0.4 CCOCC(C)Br 34a_100012180447_100000210202 [1,0,0,0,0,0|1,0,1]=3 309 B6R0.4 CCOCC(C)C 34a_100000210257_100000210202 [1,0,0,0,0,0|1,0,1]=3 310 B6R0.4 CCOCC(C)C 34a_100121572206_100000210624 [1,0,0,0,0,0|1,0,1]=3 311 B6R0.4 CCOCC(C)F 34a_100015925927_100000210202 [1,0,0,0,0,0|1,0,1]=3 312 B6R0.4 CCOCC(C)O 34a_100121572206_100011218427 [1,0,0,0,0,0|0,1,1]=3 313 B6R0.4 CCOCC(F)F 34a_100000743014_100000210202 [1,0,0,0,0,0|2,0,1]=4 314 B6R0.4 CCOCC(F)F 34a_100121572206_100011934356 [1,0,0,0,0,0|2,0,1]=4 315 B6R0.4 CCOCN(C)C 269982a_100102631434_100000739092 [1,0,0,0,0,0|2,0,1]=4 316 B6R0.4 CCOC[C@@H](C)Cl 34a_100016084084_100000210202 [1,0,0,0,0,0|1,0,1]=3 317 B6R0.4 CCOC[C@@H](C)N 34a_100000737577_100000210202 [1,0,0,0,0,0|1,0,1]=3 318 B6R0.4 CCOC[C@@H](C)O 34a_100121572206_100009817552 [1,0,0,0,0,0|0,1,1]=3 319 B6R0.4 CCSCC(C)C 62a_100000210202_100000210760 [1,0,0,0,0,0|1,1,1]=4 320 B6R0.4 CCSCC(C)C 62a_100000210624_100000210202 [1,0,0,0,0,0|1,1,1]=4 321 B6R0.4 CCSCC(C)O 62a_100000210202_100011218427 [1,0,0,0,0,0|0,2,1]=4 322 B6R0.4 CCSCC(C)O 62a_100011218427_100000210202 [1,0,0,0,0,0|0,2,1]=4 323 B6R0.4 CCSC[C@@H](C)O 62a_100000210202_100009817552 [1,0,0,0,0,0|0,2,1]=4 324 B6R0.4 CCSC[C@@H](C)O 62a_100009817552_100000210202 [1,0,0,0,0,0|0,2,1]=4 325 B6R0.4 C[C@@H](Cl)COCF 34a_100016084084_100015361967 [1,0,0,0,0,0|2,0,1]=4 326 B6R0.4 C[C@@H](N)COCF 34a_100000737577_100015361967 [1,0,0,0,0,0|2,0,1]=4 327 B8R0.2 C/C=C(\C)/C(=O)C(C)C 1458a_100020587367_100000210206 [0,1,0,0,0,0|2,0,1]=4 328 B8R0.2 C=C(C)C(=O)C(C)CC 1458a_100000185857_100000758301 [0,1,0,0,0,0|2,0,1]=4 329 B8R0.2 C=C(C)C(=O)N(C)CC 11a_100000225621_100000185857 [0,1,0,0,0,0|2,0,1]=4 330 B8R0.2 C=C(C)C(=O)N(C)CC 1626a_100000225621_100000185857 [0,1,0,0,0,0|2,0,1]=4 331 B8R0.2 CC(C)C(=O)C(C)S[13CH3] 62a_100009893295_200025704644 [0,1,0,0,0,0|3,0,0]=4 332 B8R0.2 CC(C)C(=O)C(C)S[13CH3] 62a_200025704644_100009893295 [0,1,0,0,0,0|3,0,0]=4 333 B8R0.2 CC(C)C(=O)C(O)CO 1458a_100011215603_100000210206 [0,1,0,0,0,0|3,0,0]=4 334 B8R0.2 CCC(=O)C(=O)N(C)C 1458a_100011218876_100000210202 [0,1,0,0,0,0|3,0,0]=4 335 B8R0.2 CCC(C)C(=O)C(C)C 1458a_100000210198_100000758301 [0,1,0,0,0,0|2,0,0]=3 336 B8R0.2 CCC(C)C(=O)C(C)C 1458a_100011192722_100000210206 [0,1,0,0,0,0|2,0,0]=3 337 B8R0.2 CCC(C)C(=O)C(C)F 1458a_100000062450_100000758301 [0,1,0,0,0,0|2,0,0]=3 338 B8R0.2 CCC(C)C(=O)C(O)O 1458a_100000233687_100000758301 [0,1,0,0,0,0|2,1,0]=4 339 B8R0.2 CCC(C)C(=O)N(C)C 11a_100102631434_100011192722 [0,1,0,0,0,0|3,0,0]=4 340 B8R0.2 CCC(C)C(=O)N(C)C 1626a_100102631434_100011192722 [0,1,0,0,0,0|3,0,0]=4 341 B8R0.2 CCC(C)C(=O)N(C)C 240690a_100102631434_100011192722 [0,1,0,0,0,0|3,0,0]=4 342 B8R0.2 CCC(C)C(=O)N(C)C 527a_100102631434_100011192722 [0,1,0,0,0,0|3,0,0]=4 343 B8R0.2 CCC(C)C(=O)[C@@H](C)O 1458a_100000717761_100000758301 [0,1,0,0,0,0|1,1,0]=3 344 B8R0.2 CCC(C)C(=O)[C@H](C)O 1458a_217856618621_100000758301 [0,1,0,0,0,0|1,1,0]=3 345 B8R0.2 CCC(O)C(=O)C(C)C 1458a_100011196387_100000210206 [0,1,0,0,0,0|2,0,0]=3 346 B8R0.2 CCC(O)C(=O)N(C)C 240690a_100102631434_100011196387 [0,1,0,0,0,0|3,0,0]=4 347 B8R0.2 CCN(C)C(=O)C(C)C 11a_100000225621_100000210198 [0,1,0,0,0,0|2,0,0]=3 348 B8R0.2 CCN(C)C(=O)C(C)C 1626a_100000225621_100000210198 [0,1,0,0,0,0|2,0,0]=3 349 B8R0.2 CCN(C)C(=O)C(C)C 240690a_100000225621_100000210198 [0,1,0,0,0,0|2,0,0]=3 350 B8R0.2 CCN(C)C(=O)C(C)C 527a_100000225621_100000210198 [0,1,0,0,0,0|2,0,0]=3 351 B8R0.2 CCN(C)C(=O)C(C)F 11a_100000225621_100000062450 [0,1,0,0,0,0|2,0,0]=3 352 B8R0.2 CCN(C)C(=O)C(C)F 1626a_100000225621_100000062450 [0,1,0,0,0,0|2,0,0]=3 353 B8R0.2 CCN(C)C(=O)C(C)F 240690a_100000225621_100000062450 [0,1,0,0,0,0|2,0,0]=3 354 B8R0.2 CCN(C)C(=O)C(C)F 527a_100000225621_100000062450 [0,1,0,0,0,0|2,0,0]=3 355 B8R0.2 CCN(C)C(=O)C(F)F 11a_100000225621_100000210393 [0,1,0,0,0,0|3,0,0]=4 356 B8R0.2 CCN(C)C(=O)C(F)F 1626a_100000225621_100000210393 [0,1,0,0,0,0|3,0,0]=4 357 B8R0.2 CCN(C)C(=O)C(F)F 240690a_100000225621_100000210393 [0,1,0,0,0,0|3,0,0]=4 358 B8R0.2 CCN(C)C(=O)C(F)F 527a_100000225621_100000210393 [0,1,0,0,0,0|3,0,0]=4 359 B8R0.2 CCN(C)C(=O)C(O)O 240690a_100000225621_100000233687 [0,1,0,0,0,0|2,1,0]=4 360 B8R0.2 CCN(C)C(=O)[C@@H](C)O 240690a_100000225621_100000717761 [0,1,0,0,0,0|1,1,0]=3 361 B8R0.2 CCN(C)C(=O)[C@H](C)O 1626a_100000225621_217856618621 [0,1,0,0,0,0|1,1,0]=3 362 B8R0.2 CCN(C)C(=O)[C@H](C)O 240690a_100000225621_217856618621 [0,1,0,0,0,0|1,1,0]=3 363 B8R0.2 CNC(=O)C(=O)C(C)C 1458a_100011218921_100000210206 [0,1,0,0,0,0|3,0,0]=4 364 B8R0.2 CNC(C)C(=O)C(C)C 2230a_106832991635_100009893295 [0,1,0,0,0,0|3,0,0]=4 365 B8R0.2 CNC(C)C(=O)C(C)C 7a_106832991635_100009893295 [0,1,0,0,0,0|3,0,0]=4 366 B8R0.2 COC(C)C(=O)C(C)C 1458a_100000743197_100000210206 [0,1,0,0,0,0|3,0,0]=4 367 B8R0.2 CSC(C)C(=O)C(C)C 1458a_100000149566_100000210206 [0,1,0,0,0,0|3,0,0]=4 368 B8R0.2 CSC(C)C(=O)C(C)C 62a_100009893295_200000210301 [0,1,0,0,0,0|3,0,0]=4 369 B8R0.2 CSC(C)C(=O)C(C)C 62a_200000210301_100009893295 [0,1,0,0,0,0|3,0,0]=4 370 B8R0.3 C#CC(C)C(=O)C#CC 1458a_100000763181_200000035995 [0,1,0,0,0,0|2,0,1]=4 371 B8R0.3 C#CC(C)C(=O)C=CC 1458a_100000210699_200000035995 [0,1,0,0,0,0|2,0,1]=4 372 B8R0.3 C#CC(C)C(=O)CCC 1458a_100000211992_200000035995 [0,1,0,0,0,0|2,0,0]=3 373 B8R0.3 C#CC(C)C(=O)CCO 1458a_100011216618_200000035995 [0,1,0,0,0,0|3,0,0]=4 374 B8R0.3 C#CC(C)C(=O)COC 1458a_100000210968_200000035995 [0,1,0,0,0,0|3,0,0]=4 375 B8R0.3 C#CC(C)C(=O)CSC 1458a_100000184570_200000035995 [0,1,0,0,0,0|3,0,0]=4 376 B8R0.3 C#CCC(=O)C(C)SC 1458a_100000149566_100000184674 [0,1,0,0,0,0|1,0,2]=4 377 B8R0.3 C/C=C(\C)/C(=O)CCC 1458a_100020587367_100000210303 [0,1,0,0,0,0|2,0,1]=4 378 B8R0.3 C/C=C(\C)/C(=O)NCC 11a_100015525214_100020587367 [0,1,0,0,0,0|2,0,1]=4 379 B8R0.3 C=CC(C)C(=O)CCC 1458a_100011216780_100000210303 [0,1,0,0,0,0|2,0,0]=3 380 B8R0.3 C=CC(C)C(=O)CCF 1458a_100011216780_100011217306 [0,1,0,0,0,0|3,0,0]=4 381 B8R0.3 C=CC(C)C(=O)CCO 1458a_100011216780_100000211926 [0,1,0,0,0,0|3,0,0]=4 382 B8R0.3 C=CC(C)C(=O)NCC 11a_100015525214_100011216780 [0,1,0,0,0,0|2,0,0]=3 383 B8R0.3 C=CC(C)C(=O)NCC 240690a_100015525214_100011216780 [0,1,0,0,0,0|2,0,0]=3 384 B8R0.3 C=CC(C)C(=O)NCC 527a_100015525214_100011216780 [0,1,0,0,0,0|2,0,0]=3 385 B8R0.3 C=CC(C)C(=O)NNC 22a_100016993582_100011216780 [0,1,0,0,0,0|3,0,0]=4 386 B8R0.3 C=CCC(=O)C(C)SC 1458a_100000149566_100000210623 [0,1,0,0,0,0|1,0,2]=4 387 B8R0.3 C=C[C@@H](C)[C@@H](C)OCC 34a_100015455354_100000210202 [0,1,0,0,0,0|2,0,1]=4 388 B8R0.3 C=C[C@@H](C)[C@@H](C)OCC 7a_100015455354_100000210202 [0,1,0,0,0,0|2,0,1]=4 389 B8R0.3 CC#CC(=O)C(C)C#N 1458a_100000763181_100000703298 [0,1,0,0,0,0|2,0,1]=4 390 B8R0.3 CC#CC(=O)C(C)CC 1458a_100000763181_100000758301 [0,1,0,0,0,0|2,0,1]=4 391 B8R0.3 CC(C#N)C(=O)CCF 1458a_100000753662_100011217306 [0,1,0,0,0,0|3,0,0]=4 392 B8R0.3 CC(C#N)C(=O)CCO 1458a_100000753662_100000211926 [0,1,0,0,0,0|3,0,0]=4 393 B8R0.3 CC(C#N)C(=O)CCO 1458a_100011216618_100000703298 [0,1,0,0,0,0|3,0,0]=4 394 B8R0.3 CC=CC(=O)C(C)C#N 1458a_100000210699_100000703298 [0,1,0,0,0,0|2,0,1]=4 395 B8R0.3 CC=CC(=O)C(C)CC 1458a_100000210699_100000758301 [0,1,0,0,0,0|2,0,1]=4 396 B8R0.3 CCC(C)C(=O)CCF 1458a_100011192722_100011217306 [0,1,0,0,0,0|3,0,0]=4 397 B8R0.3 CCC(C)C(=O)CCO 1458a_100011192722_100000211926 [0,1,0,0,0,0|3,0,0]=4 398 B8R0.3 CCC(C)C(=O)CCO 1458a_100011216618_100000758301 [0,1,0,0,0,0|3,0,0]=4 399 B8R0.3 CCC(C)C(=O)COC 1458a_100000210968_100000758301 [0,1,0,0,0,0|3,0,0]=4 400 B8R0.3 CCC(C)C(=O)CSC 1458a_100000184570_100000758301 [0,1,0,0,0,0|3,0,0]=4 401 B8R0.3 CCC(C)C(=O)NNC 22a_100016993582_100011192722 [0,1,0,0,0,0|3,0,0]=4 402 B8R0.3 CCC(O)C(=O)CCF 1458a_100011196387_100011217306 [0,1,0,0,0,0|2,1,0]=4 403 B8R0.3 CCC(O)C(=O)CCO 1458a_100011196387_100000211926 [0,1,0,0,0,0|2,1,0]=4 404 B8R0.3 CCC(O)C(=O)NNC 22a_100016993582_100011196387 [0,1,0,0,0,0|2,1,0]=4 405 B8R0.3 CCCC(=O)C(=O)NC 1458a_100011218921_100000210303 [0,1,0,0,0,0|1,1,1]=4 406 B8R0.3 CCCC(=O)C(C)C#N 1458a_100000211992_100000703298 [0,1,0,0,0,0|2,0,0]=3 407 B8R0.3 CCCC(=O)C(C)C#N 1458a_100000753662_100000210303 [0,1,0,0,0,0|2,0,0]=3 408 B8R0.3 CCCC(=O)C(C)CC 1458a_100000211992_100000758301 [0,1,0,0,0,0|2,0,0]=3 409 B8R0.3 CCCC(=O)C(C)CC 1458a_100011192722_100000210303 [0,1,0,0,0,0|2,0,0]=3 410 B8R0.3 CCCC(=O)C(C)OC 1458a_100000743197_100000210303 [0,1,0,0,0,0|1,1,0]=3 411 B8R0.3 CCCC(=O)C(C)SC 1458a_100000149566_100000210303 [0,1,0,0,0,0|1,0,0]=2 412 B8R0.3 CCCC(=O)C(O)CC 1458a_100011196387_100000210303 [0,1,0,0,0,0|1,1,0]=3 413 B8R0.3 CCCC(=O)C(O)CO 1458a_100011215603_100000210303 [0,1,0,0,0,0|1,1,0]=3 414 B8R0.3 CCCC(=O)N(C)CC 11a_100000225621_100000211992 [0,1,0,0,0,0|3,0,0]=4 415 B8R0.3 CCCC(=O)N(C)CC 1626a_100000225621_100000211992 [0,1,0,0,0,0|3,0,0]=4 416 B8R0.3 CCCC(=O)N(C)CC 240690a_100000225621_100000211992 [0,1,0,0,0,0|3,0,0]=4 417 B8R0.3 CCCC(=O)N(C)CC 527a_100000225621_100000211992 [0,1,0,0,0,0|3,0,0]=4 418 B8R0.3 CCNC(=O)C(=O)CC 1458a_200011297158_100000210202 [0,1,0,0,0,0|1,1,1]=4 419 B8R0.3 CCNC(=O)C(=O)CF 1458a_200011297158_100015361967 [0,1,0,0,0,0|1,1,1]=4 420 B8R0.3 CCNC(=O)C(=O)NC 1626a_100102657272_200011297158 [0,1,0,0,0,0|1,1,1]=4 421 B8R0.3 CCNC(=O)C(=O)NC 240690a_100015525214_100011218921 [0,1,0,0,0,0|1,1,1]=4 422 B8R0.3 CCNC(=O)C(=O)NC 240690a_100102657272_200011297158 [0,1,0,0,0,0|1,1,1]=4 423 B8R0.3 CCNC(=O)C(=O)NC 527a_100015525214_100011218921 [0,1,0,0,0,0|1,1,1]=4 424 B8R0.3 CCNC(=O)C(=O)NC 527a_100102657272_200011297158 [0,1,0,0,0,0|1,1,1]=4 425 B8R0.3 CCNC(=O)C(=O)OC 11a_100015525214_100000024059 [0,1,0,0,0,0|1,1,1]=4 426 B8R0.3 CCNC(=O)C(=O)OC 240690a_100015525214_100000024059 [0,1,0,0,0,0|1,1,1]=4 427 B8R0.3 CCNC(=O)C(=O)OC 527a_100015525214_100000024059 [0,1,0,0,0,0|1,1,1]=4 428 B8R0.3 CCNC(=O)C(C)C#N 11a_100015525214_100000753662 [0,1,0,0,0,0|2,0,0]=3 429 B8R0.3 CCNC(=O)C(C)C#N 240690a_100015525214_100000753662 [0,1,0,0,0,0|2,0,0]=3 430 B8R0.3 CCNC(=O)C(C)C#N 527a_100015525214_100000753662 [0,1,0,0,0,0|2,0,0]=3 431 B8R0.3 CCNC(=O)C(C)CC 11a_100015525214_100011192722 [0,1,0,0,0,0|2,0,0]=3 432 B8R0.3 CCNC(=O)C(C)CC 240690a_100015525214_100011192722 [0,1,0,0,0,0|2,0,0]=3 433 B8R0.3 CCNC(=O)C(C)CC 527a_100015525214_100011192722 [0,1,0,0,0,0|2,0,0]=3 434 B8R0.3 CCNC(=O)C(C)NC 2230a_100000736553_200000210301 [0,1,0,0,0,0|2,0,0]=3 435 B8R0.3 CCNC(=O)C(C)NC 2230a_106832991635_100000230173 [0,1,0,0,0,0|2,0,0]=3 436 B8R0.3 CCNC(=O)C(C)NC 34a_100000736553_200000210301 [0,1,0,0,0,0|2,0,0]=3 437 B8R0.3 CCNC(=O)C(C)NC 34a_100102657272_100000230173 [0,1,0,0,0,0|2,0,0]=3 438 B8R0.3 CCNC(=O)C(C)NC 7a_106832991635_100000230173 [0,1,0,0,0,0|2,0,0]=3 439 B8R0.3 CCNC(=O)C(C)N[13CH3] 2230a_100000736553_200025704644 [0,1,0,0,0,0|2,0,0]=3 440 B8R0.3 CCNC(=O)C(C)N[13CH3] 34a_100000736553_200025704644 [0,1,0,0,0,0|2,0,0]=3 441 B8R0.3 CCNC(=O)C(C)OC 11a_100015525214_100000743197 [0,1,0,0,0,0|1,1,0]=3 442 B8R0.3 CCNC(=O)C(C)OC 240690a_100015525214_100000743197 [0,1,0,0,0,0|1,1,0]=3 443 B8R0.3 CCNC(=O)C(C)OC 34a_100138415774_100000230173 [0,1,0,0,0,0|1,1,0]=3 444 B8R0.3 CCNC(=O)C(C)OC 527a_100015525214_100000743197 [0,1,0,0,0,0|1,1,0]=3 445 B8R0.3 CCNC(=O)C(C)SC 11a_100015525214_100000149566 [0,1,0,0,0,0|1,0,0]=2 446 B8R0.3 CCNC(=O)C(C)SC 240690a_100015525214_100000149566 [0,1,0,0,0,0|1,0,0]=2 447 B8R0.3 CCNC(=O)C(C)SC 527a_100015525214_100000149566 [0,1,0,0,0,0|1,0,0]=2 448 B8R0.3 CCNC(=O)C(C)SC 62a_100000230173_200000210301 [0,1,0,0,0,0|1,0,0]=2 449 B8R0.3 CCNC(=O)C(C)SC 62a_200000210301_100000230173 [0,1,0,0,0,0|1,0,0]=2 450 B8R0.3 CCNC(=O)C(C)S[13CH3] 62a_100000230173_200025704644 [0,1,0,0,0,0|1,0,0]=2 451 B8R0.3 CCNC(=O)C(C)S[13CH3] 62a_200025704644_100000230173 [0,1,0,0,0,0|1,0,0]=2 452 B8R0.3 CCNC(=O)C(O)CC 240690a_100015525214_100011196387 [0,1,0,0,0,0|1,1,0]=3 453 B8R0.3 CCNC(=O)C(O)CO 240690a_100015525214_100011215603 [0,1,0,0,0,0|1,1,0]=3 454 B8R0.3 CCNC(=O)N(C)CC 2708a_100015525214_100000225621 [0,1,0,0,0,0|3,0,0]=4 455 B8R0.3 CCNC(=O)N(C)CC 273464a_100015525214_100000225621 [0,1,0,0,0,0|3,0,0]=4 456 B8R0.3 CCOC(=O)C(=O)NC 11a_106832991635_100014798877 [0,1,0,0,0,0|0,1,1]=3 457 B8R0.3 CCOC(=O)C(=O)NC 1626a_100102657272_100014798877 [0,1,0,0,0,0|0,1,1]=3 458 B8R0.3 CCOC(=O)C(=O)NC 240690a_100102657272_100014798877 [0,1,0,0,0,0|0,1,1]=3 459 B8R0.3 CCOC(=O)C(C)NC 2230a_106832991635_100011215307 [0,1,0,0,0,0|1,0,0]=2 460 B8R0.3 CCOC(=O)C(C)NC 34a_100102657272_100011216346 [0,1,0,0,0,0|1,0,0]=2 461 B8R0.3 CCOC(=O)C(C)NC 7a_106832991635_100011216346 [0,1,0,0,0,0|1,0,0]=2 462 B8R0.3 CCOC(=O)C(C)OC 34a_100138415774_100011216346 [0,1,0,0,0,0|0,1,0]=2 463 B8R0.3 CCOC(=O)C(C)SC 62a_100011216346_200000210301 [0,1,0,0,0,0|0,0,0]=1 464 B8R0.3 CCOC(=O)C(C)SC 62a_200000210301_100011216346 [0,1,0,0,0,0|0,0,0]=1 465 B8R0.3 CCOC(=O)C(C)S[13CH3] 62a_100011216346_200025704644 [0,1,0,0,0,0|0,0,0]=1 466 B8R0.3 CCOC(=O)C(C)S[13CH3] 62a_200025704644_100011216346 [0,1,0,0,0,0|0,0,0]=1 467 B8R0.3 CCOC(=O)C(F)NC 2230a_106832991635_100000760018 [0,1,0,0,0,0|1,0,0]=2 468 B8R0.3 CCOC(=O)C(F)NC 34a_100102657272_100000760018 [0,1,0,0,0,0|1,0,0]=2 469 B8R0.3 CCOC(=O)C(F)NC 7a_106832991635_100000040065 [0,1,0,0,0,0|1,0,0]=2 470 B8R0.3 CCOC(=O)C(F)OC 34a_100138415774_100000760018 [0,1,0,0,0,0|1,0,0]=2 471 B8R0.3 CCOC(=O)C(F)SC 62a_100000760018_200000210301 [0,1,0,0,0,0|1,0,0]=2 472 B8R0.3 CCOC(=O)C(F)SC 62a_200000210301_100000760018 [0,1,0,0,0,0|1,0,0]=2 473 B8R0.3 CCOC(=O)C(F)S[13CH3] 62a_100000760018_200025704644 [0,1,0,0,0,0|1,0,0]=2 474 B8R0.3 CCOC(=O)C(F)S[13CH3] 62a_200025704644_100000760018 [0,1,0,0,0,0|1,0,0]=2 475 B8R0.3 CCOC(=O)[C@H](C)OC 7a_100000751109_200000210301 [0,1,0,0,0,0|0,1,0]=2 476 B8R0.3 CCOC(=O)[C@H](C)O[13CH3] 7a_100000751109_200025704644 [0,1,0,0,0,0|0,1,0]=2 477 B8R0.3 CCOC(C)C(C)CC 7a_100011215189_100000210202 [0,1,0,0,0,0|2,0,1]=4 478 B8R0.3 CCSC(=O)[C@H](C)NC 2230a_100103168634_200000210301 [0,1,0,0,0,0|1,1,0]=3 479 B8R0.3 CCSC(=O)[C@H](C)N[13CH3] 2230a_100103168634_200025704644 [0,1,0,0,0,0|1,1,0]=3 480 B8R0.3 CNNC(=O)C(C)C#N 22a_100016993582_100000753662 [0,1,0,0,0,0|3,0,0]=4 481 B8R0.3 CNNC(=O)C(C)OC 22a_100016993582_100000743197 [0,1,0,0,0,0|2,1,0]=4 482 B8R0.3 CNNC(=O)C(C)SC 22a_100016993582_100000149566 [0,1,0,0,0,0|2,0,0]=3 483 B8R0.3 CNNC(=O)C(O)CO 22a_100016993582_100011215603 [0,1,0,0,0,0|2,1,0]=4 484 B8R0.3 COC(C)C(=O)CCF 1458a_100000743197_100011217306 [0,1,0,0,0,0|2,1,0]=4 485 B8R0.3 COC(C)C(=O)CCO 1458a_100000743197_100000211926 [0,1,0,0,0,0|2,1,0]=4 486 B8R0.3 COCC(=O)C(C)C#N 1458a_100000210968_100000703298 [0,1,0,0,0,0|3,0,0]=4 487 B8R0.3 CSC(C)C(=O)CC#N 1458a_100000149566_100011214920 [0,1,0,0,0,0|2,0,1]=4 488 B8R0.3 CSC(C)C(=O)CCF 1458a_100000149566_100011217306 [0,1,0,0,0,0|2,0,0]=3 489 B8R0.3 CSC(C)C(=O)CCO 1458a_100000149566_100000211926 [0,1,0,0,0,0|2,0,0]=3 490 B8R0.3 CSCC(=O)C(C)C#N 1458a_100000184570_100000703298 [0,1,0,0,0,0|3,0,0]=4 491 B8R0.3 O=C(CCF)C(O)CO 1458a_100011215603_100011217306 [0,1,0,0,0,0|2,1,0]=4 492 B8R0.3 O=C(CCO)C(O)CO 1458a_100011215603_100000211926 [0,1,0,0,0,0|2,1,0]=4 493 B8R0.8 C#CCCC(=O)C(C)C 1458a_100000210198_100000753159 [0,1,0,0,0,0|2,0,1]=4 494 B8R0.8 C#CCCC(=O)C(C)C 1458a_100000692101_100000210206 [0,1,0,0,0,0|2,0,1]=4 495 B8R0.8 C#CCCC(=O)C(C)F 1458a_100000062450_100000753159 [0,1,0,0,0,0|2,0,1]=4 496 B8R0.8 C#CCCC(=O)[C@@H](C)O 1458a_100000717761_100000753159 [0,1,0,0,0,0|1,1,1]=4 497 B8R0.8 C#CCCC(=O)[C@H](C)O 1458a_217856618621_100000753159 [0,1,0,0,0,0|1,1,1]=4 498 B8R0.8 C#CCNC(=O)C(C)C 11a_100000212058_100000210198 [0,1,0,0,0,0|2,0,1]=4 499 B8R0.8 C#CCNC(=O)C(C)C 1626a_100000212058_100000210198 [0,1,0,0,0,0|2,0,1]=4 500 B8R0.8 C#CCNC(=O)C(C)C 240690a_100000212058_100000210198 [0,1,0,0,0,0|2,0,1]=4 501 B8R0.8 C#CCNC(=O)C(C)C 527a_100000212058_100000210198 [0,1,0,0,0,0|2,0,1]=4 502 B8R0.8 C#CCNC(=O)C(C)F 11a_100000212058_100000062450 [0,1,0,0,0,0|2,0,1]=4 503 B8R0.8 C#CCNC(=O)C(C)F 1626a_100000212058_100000062450 [0,1,0,0,0,0|2,0,1]=4 504 B8R0.8 C#CCNC(=O)C(C)F 240690a_100000212058_100000062450 [0,1,0,0,0,0|2,0,1]=4 505 B8R0.8 C#CCNC(=O)C(C)F 527a_100000212058_100000062450 [0,1,0,0,0,0|2,0,1]=4 506 B8R0.8 C#CCNC(=O)[C@@H](C)O 240690a_100000212058_100000717761 [0,1,0,0,0,0|1,1,1]=4 507 B8R0.8 C#CCNC(=O)[C@H](C)O 1626a_100000212058_217856618621 [0,1,0,0,0,0|1,1,1]=4 508 B8R0.8 C#CCNC(=O)[C@H](C)O 240690a_100000212058_217856618621 [0,1,0,0,0,0|1,1,1]=4 509 B8R0.8 C/C=C/CC(=O)C(C)C 1458a_100000210198_100102629194 [0,1,0,0,0,0|2,0,1]=4 510 B8R0.8 C/C=C/CC(=O)C(C)F 1458a_100000062450_100102629194 [0,1,0,0,0,0|2,0,1]=4 511 B8R0.8 C/C=C/CC(=O)[C@@H](C)O 1458a_100000717761_100102629194 [0,1,0,0,0,0|1,1,1]=4 512 B8R0.8 C/C=C/CC(=O)[C@H](C)O 1458a_217856618621_100102629194 [0,1,0,0,0,0|1,1,1]=4 513 B8R0.8 C=C(C)C(=O)CCCC 1458a_100000185857_100000210211 [0,1,0,0,0,0|2,0,1]=4 514 B8R0.8 C=C(C)C(=O)CCCF 1458a_100000185857_100011934791 [0,1,0,0,0,0|2,0,1]=4 515 B8R0.8 C=C(C)C(=O)CCCO 1458a_100000185857_100011215043 [0,1,0,0,0,0|2,0,1]=4 516 B8R0.8 C=C(C)C(=O)CCOC 1458a_100000185857_100000233755 [0,1,0,0,0,0|2,0,1]=4 517 B8R0.8 C=C(C)C(=O)CCSC 1458a_100000185857_100000751147 [0,1,0,0,0,0|2,0,1]=4 518 B8R0.8 C=C(C)C(=O)NCCC 11a_100020643023_100000185857 [0,1,0,0,0,0|2,0,1]=4 519 B8R0.8 C=C(C)C(=O)NCCC 1626a_100020643023_100000185857 [0,1,0,0,0,0|2,0,1]=4 520 B8R0.8 C=C(C)C(=O)NCCF 11a_100000724931_100000185857 [0,1,0,0,0,0|2,0,1]=4 521 B8R0.8 C=C(C)C(=O)NCCF 1626a_100000724931_100000185857 [0,1,0,0,0,0|2,0,1]=4 522 B8R0.8 C=C(C)C(=O)NNCC 22a_100000756455_100000185857 [0,1,0,0,0,0|2,0,1]=4 523 B8R0.8 C=CCCC(=O)C(C)C 1458a_100000210198_100000754431 [0,1,0,0,0,0|2,0,1]=4 524 B8R0.8 C=CCCC(=O)C(C)C 1458a_100000749702_100000210206 [0,1,0,0,0,0|2,0,1]=4 525 B8R0.8 C=CCCC(=O)C(C)F 1458a_100000062450_100000754431 [0,1,0,0,0,0|2,0,1]=4 526 B8R0.8 C=CCCC(=O)[C@@H](C)O 1458a_100000717761_100000754431 [0,1,0,0,0,0|1,1,1]=4 527 B8R0.8 C=CCCC(=O)[C@H](C)O 1458a_217856618621_100000754431 [0,1,0,0,0,0|1,1,1]=4 528 B8R0.8 C=CCNC(=O)C(C)C 1626a_100020586998_100000210198 [0,1,0,0,0,0|2,0,1]=4 529 B8R0.8 C=CCNC(=O)C(C)C 240690a_100020586998_100000210198 [0,1,0,0,0,0|2,0,1]=4 530 B8R0.8 C=CCNC(=O)C(C)C 527a_100020586998_100000210198 [0,1,0,0,0,0|2,0,1]=4 531 B8R0.8 C=CCNC(=O)C(C)F 1626a_100020586998_100000062450 [0,1,0,0,0,0|2,0,1]=4 532 B8R0.8 C=CCNC(=O)C(C)F 240690a_100020586998_100000062450 [0,1,0,0,0,0|2,0,1]=4 533 B8R0.8 C=CCNC(=O)C(C)F 527a_100020586998_100000062450 [0,1,0,0,0,0|2,0,1]=4 534 B8R0.8 C=CCNC(=O)[C@@H](C)O 240690a_100020586998_100000717761 [0,1,0,0,0,0|1,1,1]=4 535 B8R0.8 C=CCNC(=O)[C@H](C)O 1626a_100020586998_217856618621 [0,1,0,0,0,0|1,1,1]=4 536 B8R0.8 C=CCNC(=O)[C@H](C)O 240690a_100020586998_217856618621 [0,1,0,0,0,0|1,1,1]=4 537 B8R0.8 CC#CCC(=O)C(C)C 1458a_100000210198_100000748600 [0,1,0,0,0,0|2,0,1]=4 538 B8R0.8 CC#CCC(=O)C(C)F 1458a_100000062450_100000748600 [0,1,0,0,0,0|2,0,1]=4 539 B8R0.8 CC#CCC(=O)[C@@H](C)O 1458a_100000717761_100000748600 [0,1,0,0,0,0|1,1,1]=4 540 B8R0.8 CC#CCC(=O)[C@H](C)O 1458a_217856618621_100000748600 [0,1,0,0,0,0|1,1,1]=4 541 B8R0.8 CC(C)C(=O)C#CCO 1458a_100000049017_100000210206 [0,1,0,0,0,0|2,0,1]=4 542 B8R0.8 CC(C)C(=O)CCC#N 1458a_100000210198_100011215226 [0,1,0,0,0,0|2,0,1]=4 543 B8R0.8 CC(C)C(=O)CCC#N 1458a_100011934036_100000210206 [0,1,0,0,0,0|2,0,1]=4 544 B8R0.8 CC(C)C(=O)CCCF 1458a_100000210198_100011934791 [0,1,0,0,0,0|2,0,0]=3 545 B8R0.8 CC(C)C(=O)CCCO 1458a_100000210198_100011215043 [0,1,0,0,0,0|2,0,0]=3 546 B8R0.8 CC(C)C(=O)CSCF 62a_100000753385_100015361967 [0,1,0,0,0,0|2,1,0]=4 547 B8R0.8 CC(C)C(=O)CSCF 62a_100015361967_100000753385 [0,1,0,0,0,0|2,1,0]=4 548 B8R0.8 CC(C)C(=O)NCC#N 1626a_100000734998_100000210198 [0,1,0,0,0,0|2,0,1]=4 549 B8R0.8 CC(C)C(=O)NCC#N 527a_100000734998_100000210198 [0,1,0,0,0,0|2,0,1]=4 550 B8R0.8 CC(C)C(=O)NCCF 11a_100000724931_100000210198 [0,1,0,0,0,0|2,0,0]=3 551 B8R0.8 CC(C)C(=O)NCCF 1626a_100000724931_100000210198 [0,1,0,0,0,0|2,0,0]=3 552 B8R0.8 CC(C)C(=O)NCCF 240690a_100000724931_100000210198 [0,1,0,0,0,0|2,0,0]=3 553 B8R0.8 CC(C)C(=O)NCCF 527a_100000724931_100000210198 [0,1,0,0,0,0|2,0,0]=3 554 B8R0.8 CC(C)C(=O)NCCO 240690a_100000210304_100000210198 [0,1,0,0,0,0|2,0,0]=3 555 B8R0.8 CC(C)C(=O)NCCO 527a_100000210304_100000210198 [0,1,0,0,0,0|2,0,0]=3 556 B8R0.8 CC(C)C(=O)OCS[13CH3] 62a_100000139345_200025704644 [0,1,0,0,0,0|1,0,0]=2 557 B8R0.8 CC(C)C(=O)OCS[13CH3] 62a_200025704644_100000139345 [0,1,0,0,0,0|1,0,0]=2 558 B8R0.8 CC(C)C(C)OCCF 7a_100000748068_100011217306 [0,1,0,0,0,0|2,0,1]=4 559 B8R0.8 CC(C)C(C)OCCO 7a_100000748068_100000211926 [0,1,0,0,0,0|2,0,1]=4 560 B8R0.8 CC(F)C(=O)CCC#N 1458a_100000062450_100011215226 [0,1,0,0,0,0|2,0,1]=4 561 B8R0.8 CC(F)C(=O)CCCF 1458a_100000062450_100011934791 [0,1,0,0,0,0|2,0,0]=3 562 B8R0.8 CC(F)C(=O)CCCO 1458a_100000062450_100011215043 [0,1,0,0,0,0|2,0,0]=3 563 B8R0.8 CC(F)C(=O)NCC#N 1626a_100000734998_100000062450 [0,1,0,0,0,0|2,0,1]=4 564 B8R0.8 CC(F)C(=O)NCC#N 527a_100000734998_100000062450 [0,1,0,0,0,0|2,0,1]=4 565 B8R0.8 CC(F)C(=O)NCCF 11a_100000724931_100000062450 [0,1,0,0,0,0|2,0,0]=3 566 B8R0.8 CC(F)C(=O)NCCF 1626a_100000724931_100000062450 [0,1,0,0,0,0|2,0,0]=3 567 B8R0.8 CC(F)C(=O)NCCF 240690a_100000724931_100000062450 [0,1,0,0,0,0|2,0,0]=3 568 B8R0.8 CC(F)C(=O)NCCF 527a_100000724931_100000062450 [0,1,0,0,0,0|2,0,0]=3 569 B8R0.8 CC(F)C(=O)NCCO 240690a_100000210304_100000062450 [0,1,0,0,0,0|2,0,0]=3 570 B8R0.8 CC(F)C(=O)NCCO 527a_100000210304_100000062450 [0,1,0,0,0,0|2,0,0]=3 571 B8R0.8 CC=CCC(=O)C(C)C 1458a_100000210198_100000070051 [0,1,0,0,0,0|2,0,1]=4 572 B8R0.8 CC=CCC(=O)C(C)C 1458a_100121576822_100000210206 [0,1,0,0,0,0|2,0,1]=4 573 B8R0.8 CC=CCC(=O)C(C)F 1458a_100000062450_100000070051 [0,1,0,0,0,0|2,0,1]=4 574 B8R0.8 CC=CCC(=O)[C@@H](C)O 1458a_100000717761_100000070051 [0,1,0,0,0,0|1,1,1]=4 575 B8R0.8 CC=CCC(=O)[C@H](C)O 1458a_217856618621_100000070051 [0,1,0,0,0,0|1,1,1]=4 576 B8R0.8 CC=NNC(=O)C(C)C 4a_100000184118_200000210099 [0,1,0,0,0,0|2,0,1]=4 577 B8R0.8 CCC#CC(=O)C(C)C 1458a_100011827653_100000210206 [0,1,0,0,0,0|2,0,0]=3 578 B8R0.8 CCC=CC(=O)C(C)C 1458a_100000212282_100000210206 [0,1,0,0,0,0|2,0,0]=3 579 B8R0.8 CCC=CC(=O)N(C)C 11a_100102631434_100000212282 [0,1,0,0,0,0|3,0,0]=4 580 B8R0.8 CCC=CC(=O)N(C)C 1626a_100102631434_100000212282 [0,1,0,0,0,0|3,0,0]=4 581 B8R0.8 CCC=CC(=O)N(C)C 240690a_100102631434_100000212282 [0,1,0,0,0,0|3,0,0]=4 582 B8R0.8 CCCCC(=O)C(C)C 1458a_100000210183_100000210206 [0,1,0,0,0,0|2,0,0]=3 583 B8R0.8 CCCCC(=O)C(C)C 1458a_100000210198_100000210211 [0,1,0,0,0,0|2,0,0]=3 584 B8R0.8 CCCCC(=O)C(C)F 1458a_100000062450_100000210211 [0,1,0,0,0,0|2,0,0]=3 585 B8R0.8 CCCCC(=O)C(O)O 1458a_100000233687_100000210211 [0,1,0,0,0,0|2,1,0]=4 586 B8R0.8 CCCCC(=O)N(C)C 11a_100102631434_100000210183 [0,1,0,0,0,0|3,0,0]=4 587 B8R0.8 CCCCC(=O)N(C)C 1626a_100102631434_100000210183 [0,1,0,0,0,0|3,0,0]=4 588 B8R0.8 CCCCC(=O)N(C)C 240690a_100102631434_100000210183 [0,1,0,0,0,0|3,0,0]=4 589 B8R0.8 CCCCC(=O)N(C)C 527a_100102631434_100000210183 [0,1,0,0,0,0|3,0,0]=4 590 B8R0.8 CCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210211 [0,1,0,0,0,0|1,1,0]=3 591 B8R0.8 CCCCC(=O)[C@H](C)O 1458a_217856618621_100000210211 [0,1,0,0,0,0|1,1,0]=3 592 B8R0.8 CCCNC(=O)C(=O)C 1458a_200011297150_200000210301 [0,1,0,0,0,0|1,1,1]=4 593 B8R0.8 CCCNC(=O)C(=O)[13CH3] 1458a_200011297150_200025704644 [0,1,0,0,0,0|1,1,1]=4 594 B8R0.8 CCCNC(=O)C(C)C 11a_100020643023_100000210198 [0,1,0,0,0,0|2,0,0]=3 595 B8R0.8 CCCNC(=O)C(C)C 1626a_100020643023_100000210198 [0,1,0,0,0,0|2,0,0]=3 596 B8R0.8 CCCNC(=O)C(C)C 240690a_100020643023_100000210198 [0,1,0,0,0,0|2,0,0]=3 597 B8R0.8 CCCNC(=O)C(C)C 527a_100020643023_100000210198 [0,1,0,0,0,0|2,0,0]=3 598 B8R0.8 CCCNC(=O)C(C)F 11a_100020643023_100000062450 [0,1,0,0,0,0|2,0,0]=3 599 B8R0.8 CCCNC(=O)C(C)F 1626a_100020643023_100000062450 [0,1,0,0,0,0|2,0,0]=3 600 B8R0.8 CCCNC(=O)C(C)F 240690a_100020643023_100000062450 [0,1,0,0,0,0|2,0,0]=3 601 B8R0.8 CCCNC(=O)C(C)F 527a_100020643023_100000062450 [0,1,0,0,0,0|2,0,0]=3 602 B8R0.8 CCCNC(=O)C(F)F 11a_100020643023_100000210393 [0,1,0,0,0,0|3,0,0]=4 603 B8R0.8 CCCNC(=O)C(F)F 1626a_100020643023_100000210393 [0,1,0,0,0,0|3,0,0]=4 604 B8R0.8 CCCNC(=O)C(F)F 240690a_100020643023_100000210393 [0,1,0,0,0,0|3,0,0]=4 605 B8R0.8 CCCNC(=O)C(F)F 527a_100020643023_100000210393 [0,1,0,0,0,0|3,0,0]=4 606 B8R0.8 CCCNC(=O)C(O)O 240690a_100020643023_100000233687 [0,1,0,0,0,0|2,1,0]=4 607 B8R0.8 CCCNC(=O)N(C)C 2708a_100020643023_100102631434 [0,1,0,0,0,0|3,0,0]=4 608 B8R0.8 CCCNC(=O)[C@@H](C)O 240690a_100020643023_100000717761 [0,1,0,0,0,0|1,1,0]=3 609 B8R0.8 CCCNC(=O)[C@H](C)O 1626a_100020643023_217856618621 [0,1,0,0,0,0|1,1,0]=3 610 B8R0.8 CCCNC(=O)[C@H](C)O 240690a_100020643023_217856618621 [0,1,0,0,0,0|1,1,0]=3 611 B8R0.8 CCCOC(C)C(C)C 7a_100000748068_100000210303 [0,1,0,0,0,0|2,0,1]=4 612 B8R0.8 CCNCC(=O)C(C)C 2230a_100015525214_100000753385 [0,1,0,0,0,0|2,0,0]=3 613 B8R0.8 CCNCC(=O)N(C)C 2230a_100015183351_100000210202 [0,1,0,0,0,0|3,0,0]=4 614 B8R0.8 CCNCC(=O)N(C)C 2230a_100015525214_100000185267 [0,1,0,0,0,0|3,0,0]=4 615 B8R0.8 CCNN=C(C)C(C)C 4a_100000756455_100000211110 [0,1,0,0,0,0|3,0,0]=4 616 B8R0.8 CCNN=C(C)C(C)O 4a_100000756455_100000212229 [0,1,0,0,0,0|2,1,0]=4 617 B8R0.8 CCNNC(=O)C(C)C 22a_100000756455_100000210198 [0,1,0,0,0,0|2,0,0]=3 618 B8R0.8 CCNNC(=O)C(C)F 22a_100000756455_100000062450 [0,1,0,0,0,0|2,0,0]=3 619 B8R0.8 CCNNC(=O)C(F)F 22a_100000756455_100000210393 [0,1,0,0,0,0|3,0,0]=4 620 B8R0.8 CCNNC(=O)C(O)O 22a_100000756455_100000233687 [0,1,0,0,0,0|2,1,0]=4 621 B8R0.8 CCNNC(=O)[C@@H](C)O 22a_100000756455_100000717761 [0,1,0,0,0,0|1,1,0]=3 622 B8R0.8 CCNNC(=O)[C@H](C)O 22a_100000756455_217856618621 [0,1,0,0,0,0|1,1,0]=3 623 B8R0.8 CCOCC(=O)C(=O)C 34a_100121572206_100011261029 [0,1,0,0,0,0|0,1,1]=3 624 B8R0.8 CCOCC(=O)C(C)C 1458a_100000211967_100000210206 [0,1,0,0,0,0|1,0,0]=2 625 B8R0.8 CCOCC(=O)C(C)C 34a_100121572206_100000753385 [0,1,0,0,0,0|1,0,0]=2 626 B8R0.8 CCOCC(=O)N(C)C 11a_100102631434_100000211967 [0,1,0,0,0,0|2,0,0]=3 627 B8R0.8 CCOCC(=O)N(C)C 1626a_100102631434_100000211967 [0,1,0,0,0,0|2,0,0]=3 628 B8R0.8 CCOCC(=O)N(C)C 240690a_100102631434_100000211967 [0,1,0,0,0,0|2,0,0]=3 629 B8R0.8 CCOCC(=O)N(C)C 34a_100121572206_100000692301 [0,1,0,0,0,0|2,0,0]=3 630 B8R0.8 CCOCC(=O)N(C)C 527a_100102631434_100000211967 [0,1,0,0,0,0|2,0,0]=3 631 B8R0.8 CCOCN(C)C(C)C 269982a_200000211004_100000739092 [0,1,0,0,0,0|3,0,0]=4 632 B8R0.8 CCOC[C@H](N)C(C)C 34a_100011830312_100000210202 [0,1,0,0,0,0|2,0,1]=4 633 B8R0.8 CCSCC(=O)C(=O)C 62a_100000210202_100011261029 [0,1,0,0,0,0|0,2,1]=4 634 B8R0.8 CCSCC(=O)C(=O)C 62a_100011261029_100000210202 [0,1,0,0,0,0|0,2,1]=4 635 B8R0.8 CCSCC(=O)C(C)C 1458a_100000230394_100000210206 [0,1,0,0,0,0|1,1,0]=3 636 B8R0.8 CCSCC(=O)C(C)C 62a_100000210202_100000753385 [0,1,0,0,0,0|1,1,0]=3 637 B8R0.8 CCSCC(=O)C(C)C 62a_100000753385_100000210202 [0,1,0,0,0,0|1,1,0]=3 638 B8R0.8 CCSCC(=O)N(C)C 11a_100102631434_100000230394 [0,1,0,0,0,0|2,1,0]=4 639 B8R0.8 CCSCC(=O)N(C)C 1626a_100102631434_100000230394 [0,1,0,0,0,0|2,1,0]=4 640 B8R0.8 CCSCC(=O)N(C)C 240690a_100102631434_100000230394 [0,1,0,0,0,0|2,1,0]=4 641 B8R0.8 CCSCC(=O)N(C)C 527a_100102631434_100000230394 [0,1,0,0,0,0|2,1,0]=4 642 B8R0.8 CCSCC(=O)N(C)C 62a_100000210202_100000692301 [0,1,0,0,0,0|2,1,0]=4 643 B8R0.8 CCSCC(=O)N(C)C 62a_100000692301_100000210202 [0,1,0,0,0,0|2,1,0]=4 644 B8R0.8 CN(C)C(=O)CCN[13CH3] 2230a_100000738053_200025704644 [0,1,0,0,0,0|3,0,0]=4 645 B8R0.8 CN(C)C(=O)CCO[13CH3] 34a_200000747469_200025704644 [0,1,0,0,0,0|3,0,0]=4 646 B8R0.8 CN(C)C(=O)CCS[13CH3] 62a_100000737620_200025704644 [0,1,0,0,0,0|3,0,0]=4 647 B8R0.8 CN(C)C(=O)CCS[13CH3] 62a_200025704644_100000737620 [0,1,0,0,0,0|3,0,0]=4 648 B8R0.8 CNCCC(=O)N(C)C 2230a_100000738053_200000210301 [0,1,0,0,0,0|3,0,0]=4 649 B8R0.8 CNCCC(=O)N(C)C 2230a_106832991635_100000737620 [0,1,0,0,0,0|3,0,0]=4 650 B8R0.8 CNCCC(=O)N(C)C 7a_106832991635_100000737620 [0,1,0,0,0,0|3,0,0]=4 651 B8R0.8 COC=CC(=O)C(C)C 1458a_100016268678_100000210206 [0,1,0,0,0,0|2,0,1]=4 652 B8R0.8 COCCC(=O)C(C)C 1458a_100000210198_100000233755 [0,1,0,0,0,0|2,0,0]=3 653 B8R0.8 COCCC(=O)C(C)C 1458a_100000749529_100000210206 [0,1,0,0,0,0|2,0,0]=3 654 B8R0.8 COCCC(=O)C(C)F 1458a_100000062450_100000233755 [0,1,0,0,0,0|2,0,0]=3 655 B8R0.8 COCCC(=O)C(O)O 1458a_100000233687_100000233755 [0,1,0,0,0,0|2,1,0]=4 656 B8R0.8 COCCC(=O)N(C)C 11a_100102631434_100000749529 [0,1,0,0,0,0|3,0,0]=4 657 B8R0.8 COCCC(=O)N(C)C 1626a_100102631434_100000749529 [0,1,0,0,0,0|3,0,0]=4 658 B8R0.8 COCCC(=O)N(C)C 240690a_100102631434_100000749529 [0,1,0,0,0,0|3,0,0]=4 659 B8R0.8 COCCC(=O)N(C)C 34a_200000747469_200000210301 [0,1,0,0,0,0|3,0,0]=4 660 B8R0.8 COCCC(=O)N(C)C 527a_100102631434_100000749529 [0,1,0,0,0,0|3,0,0]=4 661 B8R0.8 COCCC(=O)[C@@H](C)O 1458a_100000717761_100000233755 [0,1,0,0,0,0|1,1,0]=3 662 B8R0.8 COCCC(=O)[C@H](C)O 1458a_217856618621_100000233755 [0,1,0,0,0,0|1,1,0]=3 663 B8R0.8 CSCCC(=O)C(C)C 1458a_100000174002_100000210206 [0,1,0,0,0,0|2,0,0]=3 664 B8R0.8 CSCCC(=O)C(C)C 1458a_100000210198_100000751147 [0,1,0,0,0,0|2,0,0]=3 665 B8R0.8 CSCCC(=O)C(C)F 1458a_100000062450_100000751147 [0,1,0,0,0,0|2,0,0]=3 666 B8R0.8 CSCCC(=O)C(O)O 1458a_100000233687_100000751147 [0,1,0,0,0,0|2,1,0]=4 667 B8R0.8 CSCCC(=O)N(C)C 11a_100102631434_100000174002 [0,1,0,0,0,0|3,0,0]=4 668 B8R0.8 CSCCC(=O)N(C)C 1626a_100102631434_100000174002 [0,1,0,0,0,0|3,0,0]=4 669 B8R0.8 CSCCC(=O)N(C)C 240690a_100102631434_100000174002 [0,1,0,0,0,0|3,0,0]=4 670 B8R0.8 CSCCC(=O)N(C)C 527a_100102631434_100000174002 [0,1,0,0,0,0|3,0,0]=4 671 B8R0.8 CSCCC(=O)N(C)C 62a_100000737620_200000210301 [0,1,0,0,0,0|3,0,0]=4 672 B8R0.8 CSCCC(=O)N(C)C 62a_200000210301_100000737620 [0,1,0,0,0,0|3,0,0]=4 673 B8R0.8 CSCCC(=O)[C@@H](C)O 1458a_100000717761_100000751147 [0,1,0,0,0,0|1,1,0]=3 674 B8R0.8 CSCCC(=O)[C@H](C)O 1458a_217856618621_100000751147 [0,1,0,0,0,0|1,1,0]=3 675 B8R0.8 CSCOC(=O)C(C)C 62a_100000139345_200000210301 [0,1,0,0,0,0|1,0,0]=2 676 B8R0.8 CSCOC(=O)C(C)C 62a_200000210301_100000139345 [0,1,0,0,0,0|1,0,0]=2 677 B8R0.8 C[C@@H](O)C(=O)CCC#N 1458a_100000717761_100011215226 [0,1,0,0,0,0|1,1,1]=4 678 B8R0.8 C[C@@H](O)C(=O)CCCF 1458a_100000717761_100011934791 [0,1,0,0,0,0|1,1,0]=3 679 B8R0.8 C[C@@H](O)C(=O)CCCO 1458a_100000717761_100011215043 [0,1,0,0,0,0|1,1,0]=3 680 B8R0.8 C[C@@H](O)C(=O)NCCF 240690a_100000724931_100000717761 [0,1,0,0,0,0|1,1,0]=3 681 B8R0.8 C[C@@H](O)C(=O)NCCO 240690a_100000210304_100000717761 [0,1,0,0,0,0|1,1,0]=3 682 B8R0.8 C[C@H](O)C(=O)CCC#N 1458a_217856618621_100011215226 [0,1,0,0,0,0|1,1,1]=4 683 B8R0.8 C[C@H](O)C(=O)CCCF 1458a_217856618621_100011934791 [0,1,0,0,0,0|1,1,0]=3 684 B8R0.8 C[C@H](O)C(=O)CCCO 1458a_217856618621_100011215043 [0,1,0,0,0,0|1,1,0]=3 685 B8R0.8 C[C@H](O)C(=O)NCC#N 1626a_100000734998_217856618621 [0,1,0,0,0,0|1,1,1]=4 686 B8R0.8 C[C@H](O)C(=O)NCCF 1626a_100000724931_217856618621 [0,1,0,0,0,0|1,1,0]=3 687 B8R0.8 C[C@H](O)C(=O)NCCF 240690a_100000724931_217856618621 [0,1,0,0,0,0|1,1,0]=3 688 B8R0.8 C[C@H](O)C(=O)NCCO 240690a_100000210304_217856618621 [0,1,0,0,0,0|1,1,0]=3 689 B8R0.8 O=C(CCCF)C(O)O 1458a_100000233687_100011934791 [0,1,0,0,0,0|2,1,0]=4 690 B8R0.8 O=C(CCCO)C(O)O 1458a_100000233687_100011215043 [0,1,0,0,0,0|2,1,0]=4 691 B8R0.8 O=C(NCCF)C(F)F 11a_100000724931_100000210393 [0,1,0,0,0,0|3,0,0]=4 692 B8R0.8 O=C(NCCF)C(F)F 1626a_100000724931_100000210393 [0,1,0,0,0,0|3,0,0]=4 693 B8R0.8 O=C(NCCF)C(F)F 240690a_100000724931_100000210393 [0,1,0,0,0,0|3,0,0]=4 694 B8R0.8 O=C(NCCF)C(F)F 527a_100000724931_100000210393 [0,1,0,0,0,0|3,0,0]=4 695 B8R0.8 O=C(NCCF)C(O)O 240690a_100000724931_100000233687 [0,1,0,0,0,0|2,1,0]=4 696 B8R0.8 O=C(NCCO)C(F)F 240690a_100000210304_100000210393 [0,1,0,0,0,0|3,0,0]=4 697 B8R0.8 O=C(NCCO)C(F)F 527a_100000210304_100000210393 [0,1,0,0,0,0|3,0,0]=4 698 B8R0.8 O=C(NCCO)C(O)O 240690a_100000210304_100000233687 [0,1,0,0,0,0|2,1,0]=4 699 B8R0.12 CCNS(=O)(=O)C(C)C 270084a_100015525214_100000742656 [0,1,0,0,0,0|3,0,0]=4 700 B8R0.12 CCNS(=O)(=O)C(C)C 274078a_100015525214_100000742656 [0,1,0,0,0,0|3,0,0]=4 701 B8R0.12 CCOC(C)(C)C(C)C 7a_100011215261_100000210202 [0,1,0,0,0,0|2,0,1]=4 702 B8R0.14 CC(C)(C)C(=O)CCF 1458a_106744555173_100011217306 [0,1,0,0,0,0|3,0,0]=4 703 B8R0.14 CC(C)(C)C(=O)CCO 1458a_106744555173_100000211926 [0,1,0,0,0,0|3,0,0]=4 704 B8R0.14 CC(C)(C)C(=O)CO[13CH3] 34a_200011592769_200025704644 [0,1,0,0,0,0|3,0,0]=4 705 B8R0.14 CC(C)(C)C(=O)CO[13CH3] 7a_200011592769_200025704644 [0,1,0,0,0,0|3,0,0]=4 706 B8R0.14 CC(C)(C)C(=O)CS[13CH3] 62a_100000210923_200025704644 [0,1,0,0,0,0|3,0,0]=4 707 B8R0.14 CC(C)(C)C(=O)CS[13CH3] 62a_200025704644_100000210923 [0,1,0,0,0,0|3,0,0]=4 708 B8R0.14 CC(C)(F)C(=O)CCF 1458a_100000765255_100011217306 [0,1,0,0,0,0|3,0,0]=4 709 B8R0.14 CC(C)(F)C(=O)CCO 1458a_100000765255_100000211926 [0,1,0,0,0,0|3,0,0]=4 710 B8R0.14 CC(C)(O)C(=O)CCF 1458a_100000242741_100011217306 [0,1,0,0,0,0|2,1,0]=4 711 B8R0.14 CC(C)(O)C(=O)CCO 1458a_100000242741_100000211926 [0,1,0,0,0,0|2,1,0]=4 712 B8R0.14 CCCC(=O)C(C)(C)C 1458a_106744555173_100000210303 [0,1,0,0,0,0|2,0,0]=3 713 B8R0.14 CCCC(=O)C(C)(C)F 1458a_100000765255_100000210303 [0,1,0,0,0,0|2,0,0]=3 714 B8R0.14 CCCC(=O)C(C)(C)O 1458a_100000242741_100000210303 [0,1,0,0,0,0|1,1,0]=3 715 B8R0.14 CCCC(=O)C(F)(F)F 1458a_100000211992_200000243211 [0,1,0,0,0,0|3,0,0]=4 716 B8R0.14 CCCC(=O)C(F)(F)F 1458a_100015355933_100000210303 [0,1,0,0,0,0|3,0,0]=4 717 B8R0.14 CCNC(=O)C(C)(C)C 11a_100015525214_106744555173 [0,1,0,0,0,0|2,0,0]=3 718 B8R0.14 CCNC(=O)C(C)(C)C 240690a_100015525214_106744555173 [0,1,0,0,0,0|2,0,0]=3 719 B8R0.14 CCNC(=O)C(C)(C)C 527a_100015525214_106744555173 [0,1,0,0,0,0|2,0,0]=3 720 B8R0.14 CCNC(=O)C(C)(C)F 11a_100015525214_100000765255 [0,1,0,0,0,0|2,0,0]=3 721 B8R0.14 CCNC(=O)C(C)(C)F 240690a_100015525214_100000765255 [0,1,0,0,0,0|2,0,0]=3 722 B8R0.14 CCNC(=O)C(C)(C)F 527a_100015525214_100000765255 [0,1,0,0,0,0|2,0,0]=3 723 B8R0.14 CCNC(=O)C(C)(C)O 240690a_100015525214_100000242741 [0,1,0,0,0,0|1,1,0]=3 724 B8R0.14 CCNC(=O)C(C)(F)F 11a_100015525214_100000042251 [0,1,0,0,0,0|2,0,0]=3 725 B8R0.14 CCNC(=O)C(C)(F)F 240690a_100015525214_100000042251 [0,1,0,0,0,0|2,0,0]=3 726 B8R0.14 CCNC(=O)C(C)(F)F 527a_100015525214_100000042251 [0,1,0,0,0,0|2,0,0]=3 727 B8R0.14 CCNC(=O)C(F)(F)F 11a_100015525214_100015355933 [0,1,0,0,0,0|3,0,0]=4 728 B8R0.14 CCNC(=O)C(F)(F)F 240690a_100015525214_100015355933 [0,1,0,0,0,0|3,0,0]=4 729 B8R0.14 CCNC(=O)C(F)(F)F 527a_100015525214_100000210220 [0,1,0,0,0,0|3,0,0]=4 730 B8R0.14 CNCC(=O)C(C)(C)C 34a_100102657272_100000229897 [0,1,0,0,0,0|3,0,0]=4 731 B8R0.14 CNCC(=O)C(C)(C)C 7a_106832991635_100000210923 [0,1,0,0,0,0|3,0,0]=4 732 B8R0.14 CNNC(=O)C(C)(C)C 22a_100016993582_106744555173 [0,1,0,0,0,0|3,0,0]=4 733 B8R0.14 CNNC(=O)C(C)(C)F 22a_100016993582_100000765255 [0,1,0,0,0,0|3,0,0]=4 734 B8R0.14 CNNC(=O)C(C)(C)O 22a_100016993582_100000242741 [0,1,0,0,0,0|2,1,0]=4 735 B8R0.14 CNNC(=O)C(C)(F)F 22a_100016993582_100000042251 [0,1,0,0,0,0|3,0,0]=4 736 B8R0.14 COCC(=O)C(C)(C)C 34a_100138415774_100000229897 [0,1,0,0,0,0|3,0,0]=4 737 B8R0.14 COCC(=O)C(C)(C)C 34a_200011592769_200000210301 [0,1,0,0,0,0|3,0,0]=4 738 B8R0.14 COCC(=O)C(C)(C)C 7a_200011592769_200000210301 [0,1,0,0,0,0|3,0,0]=4 739 B8R0.14 CSCC(=O)C(C)(C)C 62a_100000210923_200000210301 [0,1,0,0,0,0|3,0,0]=4 740 B8R0.14 CSCC(=O)C(C)(C)C 62a_200000210301_100000210923 [0,1,0,0,0,0|3,0,0]=4 741 B8R0.14 [2H]C([2H])([2H])C(=O)NCC 11a_100015525214_200015216371 [0,1,0,0,0,0|3,0,0]=4 742 B8R0.14 [2H]C([2H])([2H])C(=O)NCC 240690a_100015525214_200015216371 [0,1,0,0,0,0|3,0,0]=4 743 B8R0.14 [2H]C([2H])([2H])C(=O)NCC 527a_100015525214_200015216371 [0,1,0,0,0,0|3,0,0]=4 744 B8R0.15 C#CC(OCC)C(C)C 34a_100011217124_100000210202 [0,1,0,0,0,0|2,0,1]=4 745 B8R0.15 C#CC(OCC)C(C)C 7a_100011217124_100000210202 [0,1,0,0,0,0|2,0,1]=4 746 B8R0.15 C=CC(OCC)C(C)C 34a_100000732651_100000210202 [0,1,0,0,0,0|2,0,1]=4 747 B8R0.15 C=CC(OCC)C(C)C 7a_100000732651_100000210202 [0,1,0,0,0,0|2,0,1]=4 748 B8R0.15 CCOC(C#N)C(C)C 34a_100000748901_100000210202 [0,1,0,0,0,0|2,0,1]=4 749 B8R0.15 CCOC(C#N)C(C)C 7a_100000748901_100000210202 [0,1,0,0,0,0|2,0,1]=4 750 B8R0.15 CCOC(CC)C(C)C 34a_100011218073_100000210202 [0,1,0,0,0,0|2,0,1]=4 751 B8R0.15 CCOC(CC)C(C)C 7a_100011218073_100000210202 [0,1,0,0,0,0|2,0,1]=4 752 B8R0.15 CCOC(CN)C(C)C 34a_100000759067_100000210202 [0,1,0,0,0,0|2,0,1]=4 753 B8R0.23 C=C(C)C(=O)CC(C)C 1458a_100000185857_100000210624 [0,1,0,0,0,0|2,0,1]=4 754 B8R0.23 C=C(C)C(=O)CC(C)O 1458a_100000185857_100011218427 [0,1,0,0,0,0|2,0,1]=4 755 B8R0.23 C=C(C)C(=O)NC(C)C 11a_100138425928_100000185857 [0,1,0,0,0,0|2,0,1]=4 756 B8R0.23 C=C(C)C(=O)NC(C)C 1626a_100138425928_100000185857 [0,1,0,0,0,0|2,0,1]=4 757 B8R0.23 C=C(C)CC(=O)C(C)C 1458a_100000210198_100000748629 [0,1,0,0,0,0|2,0,1]=4 758 B8R0.23 C=C(C)CC(=O)C(C)F 1458a_100000062450_100000748629 [0,1,0,0,0,0|2,0,1]=4 759 B8R0.23 C=C(C)CC(=O)[C@@H](C)O 1458a_100000717761_100000748629 [0,1,0,0,0,0|1,1,1]=4 760 B8R0.23 C=C(C)CC(=O)[C@H](C)O 1458a_217856618621_100000748629 [0,1,0,0,0,0|1,1,1]=4 761 B8R0.23 CC(=CC(=O)C(C)C)C 1458a_100000211388_100000210206 [0,1,0,0,0,0|2,0,1]=4 762 B8R0.23 CC(=CC(=O)C(C)C)Cl 1458a_200042562850_100000210206 [0,1,0,0,0,0|2,0,1]=4 763 B8R0.23 CC(=CC(=O)C(C)C)I 1458a_100025716642_100000210206 [0,1,0,0,0,0|2,0,1]=4 764 B8R0.23 CC(=O)C(=O)NC(C)C 1458a_100011220036_200000210301 [0,1,0,0,0,0|1,1,1]=4 765 B8R0.23 CC(=O)CC(=O)C(C)C 1458a_100000070787_100000753385 [0,1,0,0,0,0|2,0,1]=4 766 B8R0.23 CC(C)C(=O)CC(F)F 1458a_100000210198_100011934356 [0,1,0,0,0,0|3,0,0]=4 767 B8R0.23 CC(C)C(=O)CN(C)C 1458a_100000750896_100000210206 [0,1,0,0,0,0|3,0,0]=4 768 B8R0.23 CC(C)C(=O)CN(C)C 2230a_100102631434_100000753385 [0,1,0,0,0,0|3,0,0]=4 769 B8R0.23 CC(C)C(=O)CN(C)C 269982a_100102631434_100000753385 [0,1,0,0,0,0|3,0,0]=4 770 B8R0.23 CC(C)C(=O)C[C@@H](C)O 1458a_100011933948_100000210206 [0,1,0,0,0,0|2,0,0]=3 771 B8R0.23 CC(C)C(=O)C[S+](C)C 1458a_200159257847_100000210206 [0,1,0,0,0,0|3,0,0]=4 772 B8R0.23 CC(C)CC(=O)C(C)C 1458a_100000210198_100000210624 [0,1,0,0,0,0|2,0,0]=3 773 B8R0.23 CC(C)CC(=O)C(C)C 1458a_100000210554_100000210206 [0,1,0,0,0,0|2,0,0]=3 774 B8R0.23 CC(C)CC(=O)C(C)F 1458a_100000062450_100000210624 [0,1,0,0,0,0|2,0,0]=3 775 B8R0.23 CC(C)CC(=O)C(O)O 1458a_100000233687_100000210624 [0,1,0,0,0,0|2,1,0]=4 776 B8R0.23 CC(C)CC(=O)N(C)C 11a_100102631434_100000210554 [0,1,0,0,0,0|3,0,0]=4 777 B8R0.23 CC(C)CC(=O)N(C)C 1626a_100102631434_100000210554 [0,1,0,0,0,0|3,0,0]=4 778 B8R0.23 CC(C)CC(=O)N(C)C 240690a_100102631434_100000210554 [0,1,0,0,0,0|3,0,0]=4 779 B8R0.23 CC(C)CC(=O)N(C)C 527a_100102631434_100000210554 [0,1,0,0,0,0|3,0,0]=4 780 B8R0.23 CC(C)CC(=O)[C@@H](C)O 1458a_100000717761_100000210624 [0,1,0,0,0,0|1,1,0]=3 781 B8R0.23 CC(C)CC(=O)[C@H](C)O 1458a_217856618621_100000210624 [0,1,0,0,0,0|1,1,0]=3 782 B8R0.23 CC(C)NC(=O)C(=O)[13CH3] 1458a_100011220036_200025704644 [0,1,0,0,0,0|1,1,1]=4 783 B8R0.23 CC(C)NC(=O)C(C)C 11a_100138425928_100000210198 [0,1,0,0,0,0|2,0,0]=3 784 B8R0.23 CC(C)NC(=O)C(C)C 1626a_100138425928_100000210198 [0,1,0,0,0,0|2,0,0]=3 785 B8R0.23 CC(C)NC(=O)C(C)C 240690a_100138425928_100000210198 [0,1,0,0,0,0|2,0,0]=3 786 B8R0.23 CC(C)NC(=O)C(C)C 527a_100138425928_100000210198 [0,1,0,0,0,0|2,0,0]=3 787 B8R0.23 CC(C)NC(=O)C(C)F 11a_100138425928_100000062450 [0,1,0,0,0,0|2,0,0]=3 788 B8R0.23 CC(C)NC(=O)C(C)F 1626a_100138425928_100000062450 [0,1,0,0,0,0|2,0,0]=3 789 B8R0.23 CC(C)NC(=O)C(C)F 240690a_100138425928_100000062450 [0,1,0,0,0,0|2,0,0]=3 790 B8R0.23 CC(C)NC(=O)C(C)F 527a_100138425928_100000062450 [0,1,0,0,0,0|2,0,0]=3 791 B8R0.23 CC(C)NC(=O)C(F)F 11a_100138425928_100000210393 [0,1,0,0,0,0|3,0,0]=4 792 B8R0.23 CC(C)NC(=O)C(F)F 1626a_100138425928_100000210393 [0,1,0,0,0,0|3,0,0]=4 793 B8R0.23 CC(C)NC(=O)C(F)F 240690a_100138425928_100000210393 [0,1,0,0,0,0|3,0,0]=4 794 B8R0.23 CC(C)NC(=O)C(F)F 527a_100138425928_100000210393 [0,1,0,0,0,0|3,0,0]=4 795 B8R0.23 CC(C)NC(=O)C(O)O 240690a_100138425928_100000233687 [0,1,0,0,0,0|2,1,0]=4 796 B8R0.23 CC(C)NC(=O)N(C)C 2708a_100138425928_100102631434 [0,1,0,0,0,0|3,0,0]=4 797 B8R0.23 CC(C)NC(=O)[C@@H](C)O 240690a_100138425928_100000717761 [0,1,0,0,0,0|1,1,0]=3 798 B8R0.23 CC(C)NC(=O)[C@H](C)O 1626a_100138425928_217856618621 [0,1,0,0,0,0|1,1,0]=3 799 B8R0.23 CC(C)NC(=O)[C@H](C)O 240690a_100138425928_217856618621 [0,1,0,0,0,0|1,1,0]=3 800 B8R0.23 CC(C)OC(C)C(C)C 7a_100000748068_100000210206 [0,1,0,0,0,0|2,0,1]=4 801 B8R0.23 CC(F)C(=O)CC(F)F 1458a_100000062450_100011934356 [0,1,0,0,0,0|3,0,0]=4 802 B8R0.23 CC(O)CC(=O)C(C)C 1458a_100000210198_100011218427 [0,1,0,0,0,0|2,0,0]=3 803 B8R0.23 CC(O)CC(=O)C(C)F 1458a_100000062450_100011218427 [0,1,0,0,0,0|2,0,0]=3 804 B8R0.23 CC(O)CC(=O)C(O)O 1458a_100000233687_100011218427 [0,1,0,0,0,0|2,1,0]=4 805 B8R0.23 CC(O)CC(=O)[C@@H](C)O 1458a_100000717761_100011218427 [0,1,0,0,0,0|1,1,0]=3 806 B8R0.23 CC(O)CC(=O)[C@H](C)O 1458a_217856618621_100011218427 [0,1,0,0,0,0|1,1,0]=3 807 B8R0.23 C[C@@H](O)C(=O)CC(F)F 1458a_100000717761_100011934356 [0,1,0,0,0,0|2,1,0]=4 808 B8R0.23 C[C@@H](O)CC(=O)N(C)C 240690a_100102631434_100011933948 [0,1,0,0,0,0|3,0,0]=4 809 B8R0.23 C[C@H](O)C(=O)CC(F)F 1458a_217856618621_100011934356 [0,1,0,0,0,0|2,1,0]=4 810 B8R1.37 CCCC(=O)C1CC1 1458a_100000210395_100000210303 [0,0,0,1,0,0|2,0,0]=3 811 B8R1.37 CCCC(=O)C1CO1 1458a_100000701028_100000210303 [0,0,0,1,0,0|1,1,0]=3 812 B8R1.37 CCNC(=O)C1CC1 11a_100015525214_100000210395 [0,0,0,1,0,0|2,0,0]=3 813 B8R1.37 CCNC(=O)C1CC1 240690a_100015525214_100000210395 [0,0,0,1,0,0|2,0,0]=3 814 B8R1.37 CCNC(=O)C1CC1 527a_100015525214_100000210395 [0,0,0,1,0,0|2,0,0]=3 815 B8R1.37 CCNC(=O)C1CO1 11a_100015525214_100000701028 [0,0,0,1,0,0|1,1,0]=3 816 B8R1.37 CCNC(=O)C1CO1 240690a_100015525214_100000701028 [0,0,0,1,0,0|1,1,0]=3 817 B8R1.37 CCNC(=O)C1CO1 527a_100015525214_100000701028 [0,0,0,1,0,0|1,1,0]=3 818 B8R1.37 CCOC(C)C1CC1 34a_100000744524_100000210202 [0,0,0,1,0,0|2,0,1]=4 819 B8R1.37 CCOC(C)C1CC1 7a_100000744524_100000210202 [0,0,0,1,0,0|2,0,1]=4 820 B8R1.37 CNCC(=O)C1CC1 2230a_106832991635_100000746382 [0,0,0,1,0,0|3,0,0]=4 821 B8R1.37 CNCC(=O)C1CC1 34a_100102657272_100000746382 [0,0,0,1,0,0|3,0,0]=4 822 B8R1.37 CNCC(=O)C1CC1 7a_106832991635_100000746382 [0,0,0,1,0,0|3,0,0]=4 823 B8R1.37 CNNC(=O)C1CC1 22a_100016993582_100000210395 [0,0,0,1,0,0|3,0,0]=4 824 B8R1.37 CNNC(=O)C1CO1 22a_100016993582_100000701028 [0,0,0,1,0,0|2,1,0]=4 825 B8R1.37 COCC(=O)C1CC1 34a_100000686663_200000210301 [0,0,0,1,0,0|3,0,0]=4 826 B8R1.37 COCC(=O)C1CC1 34a_100138415774_100000746382 [0,0,0,1,0,0|3,0,0]=4 827 B8R1.37 CSCC(=O)C1CC1 62a_100000746382_200000210301 [0,0,0,1,0,0|3,0,0]=4 828 B8R1.37 CSCC(=O)C1CC1 62a_200000210301_100000746382 [0,0,0,1,0,0|3,0,0]=4 829 B8R1.37 O=C(CCF)C1CC1 1458a_100000210395_100011217306 [0,0,0,1,0,0|3,0,0]=4 830 B8R1.37 O=C(CCF)C1CO1 1458a_100000701028_100011217306 [0,0,0,1,0,0|2,1,0]=4 831 B8R1.37 O=C(CCO)C1CC1 1458a_100000210395_100000211926 [0,0,0,1,0,0|3,0,0]=4 832 B8R1.37 O=C(CCO)C1CO1 1458a_100000701028_100000211926 [0,0,0,1,0,0|2,1,0]=4 833 B8R1.37 [13CH3]OCC(=O)C1CC1 34a_100000686663_200025704644 [0,0,0,1,0,0|3,0,0]=4 834 B8R1.37 [13CH3]SCC(=O)C1CC1 62a_100000746382_200025704644 [0,0,0,1,0,0|3,0,0]=4 835 B8R1.37 [13CH3]SCC(=O)C1CC1 62a_200025704644_100000746382 [0,0,0,1,0,0|3,0,0]=4 836 B8R1.54 CC(C)C(=O)C1CC1 1458a_100000210395_100000210206 [0,0,0,1,0,0|2,0,0]=3 837 B8R1.54 CC(C)C(=O)C1CO1 1458a_100000701028_100000210206 [0,0,0,1,0,0|3,0,0]=4 838 B8R1.54 CN(C)C(=O)C1CC1 11a_100102631434_100000210395 [0,0,0,1,0,0|3,0,0]=4 839 B8R1.54 CN(C)C(=O)C1CC1 1626a_100102631434_100000210395 [0,0,0,1,0,0|3,0,0]=4 840 B8R1.54 CN(C)C(=O)C1CC1 240690a_100102631434_100000210395 [0,0,0,1,0,0|3,0,0]=4 841 B8R1.54 CN(C)C(=O)C1CC1 527a_100102631434_100000210395 [0,0,0,1,0,0|3,0,0]=4 842 B8R0.5 C=C(C)CC(=O)CCC 1458a_100000211992_100000748629 [0,0,0,0,0,1|2,0,1]=4 843 B8R0.5 CC#CC(=O)CC(C)C 1458a_100000763181_100000210624 [0,0,0,0,0,1|2,0,1]=4 844 B8R0.5 CC#CC(=O)CC(C)O 1458a_100000763181_100011218427 [0,0,0,0,0,1|1,1,1]=4 845 B8R0.5 CC(C)CC(=O)CCF 1458a_100000210554_100011217306 [0,0,0,0,0,1|3,0,0]=4 846 B8R0.5 CC(C)CC(=O)CCO 1458a_100000210554_100000211926 [0,0,0,0,0,1|3,0,0]=4 847 B8R0.5 CC(C)CC(=O)CCO 1458a_100011216618_100000210624 [0,0,0,0,0,1|3,0,0]=4 848 B8R0.5 CC(C)NC(=O)CCO 240690a_100138425928_100011216618 [0,0,0,0,0,1|3,0,0]=4 849 B8R0.5 CC(C)NC(=O)CN[13CH3] 2230a_100000168517_200025704644 [0,0,0,0,0,1|3,0,0]=4 850 B8R0.5 CC(C)NC(=O)CS[13CH3] 62a_100000183996_200025704644 [0,0,0,0,0,1|3,0,0]=4 851 B8R0.5 CC(C)NC(=O)CS[13CH3] 62a_200025704644_100000183996 [0,0,0,0,0,1|3,0,0]=4 852 B8R0.5 CC(C)OC(=O)CS[13CH3] 62a_100011215430_200025704644 [0,0,0,0,0,1|3,0,0]=4 853 B8R0.5 CC(C)OC(=O)CS[13CH3] 62a_200025704644_100011215430 [0,0,0,0,0,1|3,0,0]=4 854 B8R0.5 CC(O)CC(=O)CCO 1458a_100011216618_100011218427 [0,0,0,0,0,1|2,1,0]=4 855 B8R0.5 CC=CC(=O)CC(C)C 1458a_100000210699_100000210624 [0,0,0,0,0,1|2,0,1]=4 856 B8R0.5 CC=CC(=O)CC(C)O 1458a_100000210699_100011218427 [0,0,0,0,0,1|1,1,1]=4 857 B8R0.5 CC=CC(=O)NC(C)C 11a_100138425928_100000210699 [0,0,0,0,0,1|2,0,1]=4 858 B8R0.5 CC=CC(=O)NC(C)C 1626a_100138425928_100000210699 [0,0,0,0,0,1|2,0,1]=4 859 B8R0.5 CC=CC(=O)NC(C)C 240690a_100138425928_100000210699 [0,0,0,0,0,1|2,0,1]=4 860 B8R0.5 CCCC(=O)C=C(C)C 1458a_100000211388_100000210303 [0,0,0,0,0,1|2,0,1]=4 861 B8R0.5 CCCC(=O)C=C(C)Cl 1458a_200042562850_100000210303 [0,0,0,0,0,1|2,0,1]=4 862 B8R0.5 CCCC(=O)C=C(C)I 1458a_100025716642_100000210303 [0,0,0,0,0,1|2,0,1]=4 863 B8R0.5 CCCC(=O)CC(=O)C 1458a_100000070787_100000747444 [0,0,0,0,0,1|1,1,1]=4 864 B8R0.5 CCCC(=O)CC(C)C 1458a_100000210554_100000210303 [0,0,0,0,0,1|2,0,0]=3 865 B8R0.5 CCCC(=O)CC(C)C 1458a_100000211992_100000210624 [0,0,0,0,0,1|2,0,0]=3 866 B8R0.5 CCCC(=O)CC(C)O 1458a_100000211992_100011218427 [0,0,0,0,0,1|1,1,0]=3 867 B8R0.5 CCCC(=O)CC(F)F 1458a_100000211992_100011934356 [0,0,0,0,0,1|3,0,0]=4 868 B8R0.5 CCCC(=O)CN(C)C 1458a_100000750896_100000210303 [0,0,0,0,0,1|3,0,0]=4 869 B8R0.5 CCCC(=O)CN(C)C 2230a_100102631434_100000747444 [0,0,0,0,0,1|3,0,0]=4 870 B8R0.5 CCCC(=O)CN(C)C 269982a_100102631434_100000747444 [0,0,0,0,0,1|3,0,0]=4 871 B8R0.5 CCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210303 [0,0,0,0,0,1|1,1,0]=3 872 B8R0.5 CCCC(=O)C[S+](C)C 1458a_200159257847_100000210303 [0,0,0,0,0,1|3,0,0]=4 873 B8R0.5 CCCC(=O)NC(C)C 11a_100138425928_100000211992 [0,0,0,0,0,1|2,0,0]=3 874 B8R0.5 CCCC(=O)NC(C)C 1626a_100138425928_100000211992 [0,0,0,0,0,1|2,0,0]=3 875 B8R0.5 CCCC(=O)NC(C)C 240690a_100138425928_100000211992 [0,0,0,0,0,1|2,0,0]=3 876 B8R0.5 CCCC(=O)NC(C)C 527a_100138425928_100000211992 [0,0,0,0,0,1|2,0,0]=3 877 B8R0.5 CCNC(=O)C=C(C)C 11a_100015525214_100000211388 [0,0,0,0,0,1|2,0,1]=4 878 B8R0.5 CCNC(=O)C=C(C)C 240690a_100015525214_100000211388 [0,0,0,0,0,1|2,0,1]=4 879 B8R0.5 CCNC(=O)C=C(C)Cl 11a_100015525214_200042562850 [0,0,0,0,0,1|2,0,1]=4 880 B8R0.5 CCNC(=O)C=C(C)Cl 240690a_100015525214_200042562850 [0,0,0,0,0,1|2,0,1]=4 881 B8R0.5 CCNC(=O)C=C(C)I 11a_100015525214_100025716642 [0,0,0,0,0,1|2,0,1]=4 882 B8R0.5 CCNC(=O)CC(=O)C 1458a_100000070787_100000183381 [0,0,0,0,0,1|1,1,1]=4 883 B8R0.5 CCNC(=O)CC(C)C 11a_100015525214_100000210554 [0,0,0,0,0,1|2,0,0]=3 884 B8R0.5 CCNC(=O)CC(C)C 240690a_100015525214_100000210554 [0,0,0,0,0,1|2,0,0]=3 885 B8R0.5 CCNC(=O)CC(C)C 527a_100015525214_100000210554 [0,0,0,0,0,1|2,0,0]=3 886 B8R0.5 CCNC(=O)CN(C)C 11a_100015525214_100000750896 [0,0,0,0,0,1|3,0,0]=4 887 B8R0.5 CCNC(=O)CN(C)C 2230a_100000741943_200000210301 [0,0,0,0,0,1|3,0,0]=4 888 B8R0.5 CCNC(=O)CN(C)C 2230a_100102631434_100000183381 [0,0,0,0,0,1|3,0,0]=4 889 B8R0.5 CCNC(=O)CN(C)C 240690a_100015525214_100000750896 [0,0,0,0,0,1|3,0,0]=4 890 B8R0.5 CCNC(=O)CN(C)C 269982a_100000741943_200000210301 [0,0,0,0,0,1|3,0,0]=4 891 B8R0.5 CCNC(=O)CN(C)C 269982a_100102631434_100000183381 [0,0,0,0,0,1|3,0,0]=4 892 B8R0.5 CCNC(=O)CN(C)C 527a_100015525214_100000750896 [0,0,0,0,0,1|3,0,0]=4 893 B8R0.5 CCNC(=O)CN(C)[13CH3] 2230a_100000741943_200025704644 [0,0,0,0,0,1|3,0,0]=4 894 B8R0.5 CCNC(=O)CN(C)[13CH3] 269982a_100000741943_200025704644 [0,0,0,0,0,1|3,0,0]=4 895 B8R0.5 CCNC(=O)C[C@@H](C)O 240690a_100015525214_100011933948 [0,0,0,0,0,1|1,1,0]=3 896 B8R0.5 CCNC(=O)C[S+](C)C 11a_100015525214_200159257847 [0,0,0,0,0,1|3,0,0]=4 897 B8R0.5 CCNC(=O)C[S+](C)C 240690a_100015525214_200159257847 [0,0,0,0,0,1|3,0,0]=4 898 B8R0.5 CCNC(=O)C[S+](C)C 527a_100015525214_200159257847 [0,0,0,0,0,1|3,0,0]=4 899 B8R0.5 CCNC(=O)NC(C)C 2708a_100015525214_100138425928 [0,0,0,0,0,1|2,0,0]=3 900 B8R0.5 CCNC(=O)NC(C)C 2708a_100138425928_100015525214 [0,0,0,0,0,1|2,0,0]=3 901 B8R0.5 CCNC(=O)NC(C)C 273464a_100138425928_100015525214 [0,0,0,0,0,1|2,0,0]=3 902 B8R0.5 CCNC(=O)NC(C)C 512a_100015525214_100138425928 [0,0,0,0,0,1|2,0,0]=3 903 B8R0.5 CCNC(=O)NC(C)C 512a_100138425928_100015525214 [0,0,0,0,0,1|2,0,0]=3 904 B8R0.5 CCOC(=O)CC(=O)C 1458a_100000070787_100000188475 [0,0,0,0,0,1|0,1,1]=3 905 B8R0.5 CCOC(=O)CC(=O)C 1458a_100000243816_200000210301 [0,0,0,0,0,1|0,1,1]=3 906 B8R0.5 CCOC(=O)CC(=O)[13CH3] 1458a_100000243816_200025704644 [0,0,0,0,0,1|0,1,1]=3 907 B8R0.5 CCOC(=O)CN(C)C 2230a_100000220588_200000210301 [0,0,0,0,0,1|2,0,0]=3 908 B8R0.5 CCOC(=O)CN(C)C 2230a_100102631434_100000188475 [0,0,0,0,0,1|2,0,0]=3 909 B8R0.5 CCOC(=O)CN(C)C 269982a_100102631434_100000188475 [0,0,0,0,0,1|2,0,0]=3 910 B8R0.5 CCOC(=O)CN(C)[13CH3] 2230a_100000220588_200025704644 [0,0,0,0,0,1|2,0,0]=3 911 B8R0.5 CCOC(C)CC(C)C 34a_100000211805_100000210202 [0,0,0,0,0,1|2,0,1]=4 912 B8R0.5 CCOC(C)CC(C)C 34a_100121572206_100000731052 [0,0,0,0,0,1|2,0,1]=4 913 B8R0.5 CCOC(C)CC(C)C 7a_100000211805_100000210202 [0,0,0,0,0,1|2,0,1]=4 914 B8R0.5 CNCC(=O)NC(C)C 2230a_100000168517_200000210301 [0,0,0,0,0,1|3,0,0]=4 915 B8R0.5 CNCC(=O)NC(C)C 2230a_106832991635_100000183996 [0,0,0,0,0,1|3,0,0]=4 916 B8R0.5 CNCC(=O)NC(C)C 34a_100102657272_100000183996 [0,0,0,0,0,1|3,0,0]=4 917 B8R0.5 CNCC(=O)NC(C)C 7a_106832991635_100000183996 [0,0,0,0,0,1|3,0,0]=4 918 B8R0.5 CNCC(=O)OC(C)C 2230a_106832991635_100011215430 [0,0,0,0,0,1|3,0,0]=4 919 B8R0.5 CNCC(=O)OC(C)C 34a_100102657272_100011215430 [0,0,0,0,0,1|3,0,0]=4 920 B8R0.5 CNCC(=O)OC(C)C 7a_106832991635_100011215430 [0,0,0,0,0,1|3,0,0]=4 921 B8R0.5 CNNC(=O)CC(C)C 22a_100016993582_100000210554 [0,0,0,0,0,1|3,0,0]=4 922 B8R0.5 CNNC(=O)C[C@@H](C)O 22a_100016993582_100011933948 [0,0,0,0,0,1|2,1,0]=4 923 B8R0.5 CNNC(=O)NC(C)C 273464a_100138425928_100016993582 [0,0,0,0,0,1|3,0,0]=4 924 B8R0.5 CNNC(=O)NC(C)C 512a_100016993582_100138425928 [0,0,0,0,0,1|3,0,0]=4 925 B8R0.5 CNNC(=O)NC(C)C 512a_100138425928_100016993582 [0,0,0,0,0,1|3,0,0]=4 926 B8R0.5 COCC(=O)CC(C)C 1458a_100000210968_100000210624 [0,0,0,0,0,1|3,0,0]=4 927 B8R0.5 COCC(=O)CC(C)O 1458a_100000210968_100011218427 [0,0,0,0,0,1|2,1,0]=4 928 B8R0.5 COCC(=O)NC(C)C 11a_100138425928_100000210968 [0,0,0,0,0,1|3,0,0]=4 929 B8R0.5 COCC(=O)NC(C)C 1626a_100138425928_100000210968 [0,0,0,0,0,1|3,0,0]=4 930 B8R0.5 COCC(=O)NC(C)C 240690a_100138425928_100000210968 [0,0,0,0,0,1|3,0,0]=4 931 B8R0.5 COCC(=O)NC(C)C 34a_100138415774_100000183996 [0,0,0,0,0,1|3,0,0]=4 932 B8R0.5 COCC(=O)NC(C)C 527a_100138425928_100000210968 [0,0,0,0,0,1|3,0,0]=4 933 B8R0.5 COCC(=O)OC(C)C 34a_100138415774_100011215430 [0,0,0,0,0,1|3,0,0]=4 934 B8R0.5 CSCC(=O)CC(C)C 1458a_100000184570_100000210624 [0,0,0,0,0,1|3,0,0]=4 935 B8R0.5 CSCC(=O)CC(C)O 1458a_100000184570_100011218427 [0,0,0,0,0,1|2,1,0]=4 936 B8R0.5 CSCC(=O)NC(C)C 11a_100138425928_100000184570 [0,0,0,0,0,1|3,0,0]=4 937 B8R0.5 CSCC(=O)NC(C)C 1626a_100138425928_100000184570 [0,0,0,0,0,1|3,0,0]=4 938 B8R0.5 CSCC(=O)NC(C)C 240690a_100138425928_100000184570 [0,0,0,0,0,1|3,0,0]=4 939 B8R0.5 CSCC(=O)NC(C)C 527a_100138425928_100000184570 [0,0,0,0,0,1|3,0,0]=4 940 B8R0.5 CSCC(=O)NC(C)C 62a_100000183996_200000210301 [0,0,0,0,0,1|3,0,0]=4 941 B8R0.5 CSCC(=O)NC(C)C 62a_200000210301_100000183996 [0,0,0,0,0,1|3,0,0]=4 942 B8R0.5 CSCC(=O)OC(C)C 62a_100011215430_200000210301 [0,0,0,0,0,1|3,0,0]=4 943 B8R0.5 CSCC(=O)OC(C)C 62a_200000210301_100011215430 [0,0,0,0,0,1|3,0,0]=4 944 B8R0.5 C[C@@H](O)CC(=O)CCF 1458a_100011933948_100011217306 [0,0,0,0,0,1|2,1,0]=4 945 B8R0.5 C[C@@H](O)CC(=O)CCO 1458a_100011933948_100000211926 [0,0,0,0,0,1|2,1,0]=4 946 B5R0.1 CC#CC(=O)C 1458a_100000763181_200000210301 [2,0,0,0,0,0|1,0,1]=4 947 B5R0.1 CC#CC(=O)[13CH3] 1458a_100000763181_200025704644 [2,0,0,0,0,0|1,0,1]=4 948 B5R0.1 CC(=O)CCF 1458a_100000070787_100011217306 [2,0,0,0,0,0|2,0,0]=4 949 B5R0.1 CC(=O)CCO 1458a_100000070787_100000211926 [2,0,0,0,0,0|2,0,0]=4 950 B5R0.1 CC(=O)CCO 1458a_100011216618_200000210301 [2,0,0,0,0,0|2,0,0]=4 951 B5R0.1 CC(=O)CO[13CH3] 34a_100000211253_200025704644 [2,0,0,0,0,0|2,0,0]=4 952 B5R0.1 CC(Br)CO[13CH3] 34a_100012180447_200025704644 [2,0,0,0,0,0|1,0,1]=4 953 B5R0.1 CC(C)CO[13CH3] 34a_100000210257_200025704644 [2,0,0,0,0,0|1,0,1]=4 954 B5R0.1 CC(C)OCF 34a_100000212225_100015361967 [2,0,0,0,0,0|2,0,0]=4 955 B5R0.1 CC(F)CO[13CH3] 34a_100015925927_200025704644 [2,0,0,0,0,0|1,0,1]=4 956 B5R0.1 CC=CC(=O)C 1458a_100000210699_200000210301 [2,0,0,0,0,0|1,0,1]=4 957 B5R0.1 CC=CC(=O)[13CH3] 1458a_100000210699_200025704644 [2,0,0,0,0,0|1,0,1]=4 958 B5R0.1 CCCC(=O)C 1458a_100000070787_100000210303 [2,0,0,0,0,0|1,0,0]=3 959 B5R0.1 CCCC(=O)C 1458a_100000211992_200000210301 [2,0,0,0,0,0|1,0,0]=3 960 B5R0.1 CCCC(=O)[13CH3] 1458a_100000211992_200025704644 [2,0,0,0,0,0|1,0,0]=3 961 B5R0.1 CCNC(=O)C 11a_100015525214_100015343762 [2,0,0,0,0,0|1,0,0]=3 962 B5R0.1 CCNC(=O)C 240690a_100015525214_100015343762 [2,0,0,0,0,0|1,0,0]=3 963 B5R0.1 CCNC(=O)C 527a_100015525214_100103153847 [2,0,0,0,0,0|1,0,0]=3 964 B5R0.1 CCNC(C)C 2230a_100015525214_100000210206 [2,0,0,0,0,0|2,0,0]=4 965 B5R0.1 CCNC(C)C 2230a_100138425928_100000210202 [2,0,0,0,0,0|2,0,0]=4 966 B5R0.1 CCNC(C)C 34a_100138425928_100000210202 [2,0,0,0,0,0|2,0,0]=4 967 B5R0.1 CCOC(C)C 34a_100000212225_100000210202 [2,0,0,0,0,0|1,0,0]=3 968 B5R0.1 CCOC(C)C 34a_100121572206_100000210206 [2,0,0,0,0,0|1,0,0]=3 969 B5R0.1 CCSC(C)C 62a_100000210202_100000210206 [2,0,0,0,0,0|1,1,0]=4 970 B5R0.1 CCSC(C)C 62a_100000210206_100000210202 [2,0,0,0,0,0|1,1,0]=4 971 B5R0.1 CNNC(=O)C 22a_100016993582_100000070787 [2,0,0,0,0,0|2,0,0]=4 972 B5R0.1 COCC(=O)C 1458a_100000210968_200000210301 [2,0,0,0,0,0|2,0,0]=4 973 B5R0.1 COCC(=O)C 34a_100000211253_200000210301 [2,0,0,0,0,0|2,0,0]=4 974 B5R0.1 COCC(=O)[13CH3] 1458a_100000210968_200025704644 [2,0,0,0,0,0|2,0,0]=4 975 B5R0.1 COCC(C)Br 34a_100012180447_200000210301 [2,0,0,0,0,0|1,0,1]=4 976 B5R0.1 COCC(C)C 34a_100000210257_200000210301 [2,0,0,0,0,0|1,0,1]=4 977 B5R0.1 COCC(C)C 34a_100138415774_100000210624 [2,0,0,0,0,0|1,0,1]=4 978 B5R0.1 COCC(C)F 34a_100015925927_200000210301 [2,0,0,0,0,0|1,0,1]=4 979 B5R0.1 COCC(C)O 34a_100138415774_100011218427 [2,0,0,0,0,0|0,1,1]=4 980 B5R0.1 COC[C@@H](C)Cl 34a_100016084084_200000210301 [2,0,0,0,0,0|1,0,1]=4 981 B5R0.1 COC[C@@H](C)N 34a_100000737577_200000210301 [2,0,0,0,0,0|1,0,1]=4 982 B5R0.1 COC[C@@H](C)O 34a_100138415774_100009817552 [2,0,0,0,0,0|0,1,1]=4 983 B5R0.1 CSCC(=O)C 1458a_100000184570_200000210301 [2,0,0,0,0,0|2,0,0]=4 984 B5R0.1 CSCC(=O)[13CH3] 1458a_100000184570_200025704644 [2,0,0,0,0,0|2,0,0]=4 985 B5R0.1 C[C@@H](Cl)CO[13CH3] 34a_100016084084_200025704644 [2,0,0,0,0,0|1,0,1]=4 986 B5R0.1 C[C@@H](N)CO[13CH3] 34a_100000737577_200025704644 [2,0,0,0,0,0|1,0,1]=4 987 B5R0.1 [13CH3]C(=O)CCO 1458a_100011216618_200025704644 [2,0,0,0,0,0|2,0,0]=4 988 B5R0.2 CCCNCC 2230a_100015525214_100000210303 [2,0,0,0,0,0|1,0,1]=4 989 B5R0.2 CCCOCC 34a_100000210258_100000210202 [2,0,0,0,0,0|0,0,1]=3 990 B5R0.2 CCCOCC 34a_100121572206_100000210303 [2,0,0,0,0,0|0,0,1]=3 991 B5R0.2 CCCOCF 34a_100000210258_100015361967 [2,0,0,0,0,0|1,0,1]=4 992 B5R0.2 CCCSCC 62a_100000210202_100000210303 [2,0,0,0,0,0|0,1,1]=4 993 B5R0.2 CCCSCC 62a_100000210303_100000210202 [2,0,0,0,0,0|0,1,1]=4 994 B5R0.2 CCOCCBr 34a_100000211926_100000210202 [2,0,0,0,0,0|1,0,1]=4 995 B5R0.2 CCOCCF 34a_100121572206_100011217306 [2,0,0,0,0,0|1,0,1]=4 996 B5R0.2 CCOCCN 34a_100000210304_100000210202 [2,0,0,0,0,0|1,0,1]=4 997 B5R0.2 CCOCCO 34a_100121572206_100000211926 [2,0,0,0,0,0|0,1,1]=4 998 B5R0.2 CCOCSC 34a_100121572206_100011218213 [2,0,0,0,0,0|1,0,1]=4 999 B5R0.2 CCOCSC 62a_100000739092_200000210301 [2,0,0,0,0,0|1,0,1]=4 1000 B5R0.2 CCOCSC 62a_200000210301_100000739092 [2,0,0,0,0,0|1,0,1]=4 1001 B5R0.2 CCOCS[13CH3] 62a_100000739092_200025704644 [2,0,0,0,0,0|1,0,1]=4 1002 B5R0.2 CCOCS[13CH3] 62a_200025704644_100000739092 [2,0,0,0,0,0|1,0,1]=4 1003 B5R0.3 C#CC(=O)CC 1458a_100000211873_100000210202 [2,0,0,0,0,0|0,0,2]=4 1004 B5R0.3 C=CC(=O)CC 1458a_100000185746_100000210202 [2,0,0,0,0,0|0,0,2]=4 1005 B5R0.3 CCC(=O)CC 1458a_100000210414_100000210202 [2,0,0,0,0,0|0,0,0]=2 1006 B5R0.3 CCC(=O)CF 1458a_100000210414_100015361967 [2,0,0,0,0,0|1,0,0]=3 1007 B5R0.3 CCC(=O)CO 1458a_100000210174_100000210202 [2,0,0,0,0,0|0,1,0]=3 1008 B5R0.3 CCC(=O)NC 11a_106832991635_100000210414 [2,0,0,0,0,0|1,0,0]=3 1009 B5R0.3 CCC(=O)NC 1626a_100102657272_100000210414 [2,0,0,0,0,0|1,0,0]=3 1010 B5R0.3 CCC(=O)NC 240690a_100102657272_100000210414 [2,0,0,0,0,0|1,0,0]=3 1011 B5R0.3 CCC(=O)NC 527a_100102657272_100000210414 [2,0,0,0,0,0|1,0,0]=3 1012 B5R0.3 CCC(C)OC 34a_100138415774_100011215416 [2,0,0,0,0,0|1,0,1]=4 1013 B5R0.3 CCC(C)OC 7a_100000210228_200000210301 [2,0,0,0,0,0|1,0,1]=4 1014 B5R0.3 CCC(C)O[13CH3] 7a_100000210228_200025704644 [2,0,0,0,0,0|1,0,1]=4 1015 B5R0.3 CCN(C)CC 2230a_100000225621_100000210202 [2,0,0,0,0,0|2,0,0]=4 1016 B5R0.3 CCN(C)CC 2230a_100000724800_200000210301 [2,0,0,0,0,0|2,0,0]=4 1017 B5R0.3 CCN(C)CC 269956a_100000042499_200000210301 [2,0,0,0,0,0|2,0,0]=4 1018 B5R0.3 CCN(C)CC 269982a_100000225621_100000204670 [2,0,0,0,0,0|2,0,0]=4 1019 B5R0.3 CCN(C)CC 269982a_100000724800_200000210301 [2,0,0,0,0,0|2,0,0]=4 1020 B5R0.3 CCN([13CH3])CC 2230a_100000724800_200025704644 [2,0,0,0,0,0|2,0,0]=4 1021 B5R0.3 CCN([13CH3])CC 269956a_100000042499_200025704644 [2,0,0,0,0,0|2,0,0]=4 1022 B5R0.3 CCN([13CH3])CC 269982a_100000724800_200025704644 [2,0,0,0,0,0|2,0,0]=4 1023 B5R0.3 CNC(=O)CO 240690a_100102657272_100000210174 [2,0,0,0,0,0|1,1,0]=4 1024 B5R0.3 CNC(=O)CO 527a_100102657272_100000210174 [2,0,0,0,0,0|1,1,0]=4 1025 B5R0.3 CNC(=O)NC 2708a_100102657272_106832991635 [2,0,0,0,0,0|2,0,0]=4 1026 B5R0.3 CNC(=O)NC 273464a_100102657272_100102657272 [2,0,0,0,0,0|2,0,0]=4 1027 B5R0.3 CNC(=O)NC 512a_106832991638_100102657272 [2,0,0,0,0,0|2,0,0]=4 1028 B5R0.3 O=C(CO)CF 1458a_100000210174_100015361967 [2,0,0,0,0,0|1,1,0]=4 1029 B5R0.5 C=C(C)C(=O)C 1458a_100000185857_200000210301 [2,0,0,0,0,0|1,0,1]=4 1030 B5R0.5 C=C(C)C(=O)[13CH3] 1458a_100000185857_200025704644 [2,0,0,0,0,0|1,0,1]=4 1031 B5R0.5 CC(=O)C(C)C 1458a_100000070787_100000210206 [2,0,0,0,0,0|1,0,0]=3 1032 B5R0.5 CC(=O)C(C)C 1458a_100000210198_200000210301 [2,0,0,0,0,0|1,0,0]=3 1033 B5R0.5 CC(=O)C(C)F 1458a_100000062450_200000210301 [2,0,0,0,0,0|1,0,0]=3 1034 B5R0.5 CC(=O)C(O)O 1458a_100000233687_200000210301 [2,0,0,0,0,0|1,1,0]=4 1035 B5R0.5 CC(=O)N(C)C 11a_100102631434_100015343762 [2,0,0,0,0,0|2,0,0]=4 1036 B5R0.5 CC(=O)N(C)C 1626a_100102631434_100015343762 [2,0,0,0,0,0|2,0,0]=4 1037 B5R0.5 CC(=O)N(C)C 240690a_100102631434_100015343762 [2,0,0,0,0,0|2,0,0]=4 1038 B5R0.5 CC(=O)N(C)C 527a_100102631434_100103153847 [2,0,0,0,0,0|2,0,0]=4 1039 B5R0.5 CC(=O)[C@@H](C)O 1458a_100000717761_200000210301 [2,0,0,0,0,0|0,1,0]=3 1040 B5R0.5 CC(=O)[C@H](C)O 1458a_217856618621_200000210301 [2,0,0,0,0,0|0,1,0]=3 1041 B5R0.5 CC(C)C(=O)[13CH3] 1458a_100000210198_200025704644 [2,0,0,0,0,0|1,0,0]=3 1042 B5R0.5 CC(F)C(=O)[13CH3] 1458a_100000062450_200025704644 [2,0,0,0,0,0|1,0,0]=3 1043 B5R0.5 C[C@@H](O)C(=O)[13CH3] 1458a_100000717761_200025704644 [2,0,0,0,0,0|0,1,0]=3 1044 B5R0.5 C[C@H](O)C(=O)[13CH3] 1458a_217856618621_200025704644 [2,0,0,0,0,0|0,1,0]=3 1045 B5R0.5 [13CH3]C(=O)C(O)O 1458a_100000233687_200025704644 [2,0,0,0,0,0|1,1,0]=4 1046 B7R0.2 C=C(C)CC(=O)CC 1458a_100000210414_100000748629 [1,1,0,0,0,0|1,0,1]=4 1047 B7R0.2 CC(C)CC(=O)CF 1458a_100000210554_100015361967 [1,1,0,0,0,0|2,0,0]=4 1048 B7R0.2 CC(C)CC(=O)CO 1458a_100000210174_100000210624 [1,1,0,0,0,0|1,1,0]=4 1049 B7R0.2 CC(C)NC(=O)CO 240690a_100138425928_100000210174 [1,1,0,0,0,0|1,1,0]=4 1050 B7R0.2 CC(C)NC(=O)CO 527a_100138425928_100000210174 [1,1,0,0,0,0|1,1,0]=4 1051 B7R0.2 CC(O)CC(=O)CO 1458a_100000210174_100011218427 [1,1,0,0,0,0|1,1,0]=4 1052 B7R0.2 CCC(=O)C=C(C)C 1458a_100000211388_100000210202 [1,1,0,0,0,0|1,0,1]=4 1053 B7R0.2 CCC(=O)C=C(C)Cl 1458a_200042562850_100000210202 [1,1,0,0,0,0|1,0,1]=4 1054 B7R0.2 CCC(=O)C=C(C)I 1458a_100025716642_100000210202 [1,1,0,0,0,0|1,0,1]=4 1055 B7R0.2 CCC(=O)CC(=O)C 1458a_100000070787_100000747405 [1,1,0,0,0,0|1,0,1]=4 1056 B7R0.2 CCC(=O)CC(C)C 1458a_100000210414_100000210624 [1,1,0,0,0,0|1,0,0]=3 1057 B7R0.2 CCC(=O)CC(C)C 1458a_100000210554_100000210202 [1,1,0,0,0,0|1,0,0]=3 1058 B7R0.2 CCC(=O)CC(C)O 1458a_100000210414_100011218427 [1,1,0,0,0,0|1,0,0]=3 1059 B7R0.2 CCC(=O)CC(F)F 1458a_100000210414_100011934356 [1,1,0,0,0,0|2,0,0]=4 1060 B7R0.2 CCC(=O)CN(C)C 1458a_100000750896_100000210202 [1,1,0,0,0,0|2,0,0]=4 1061 B7R0.2 CCC(=O)CN(C)C 269982a_100102631434_100000747405 [1,1,0,0,0,0|2,0,0]=4 1062 B7R0.2 CCC(=O)C[C@@H](C)O 1458a_100011933948_100000210202 [1,1,0,0,0,0|1,0,0]=3 1063 B7R0.2 CCC(=O)C[S+](C)C 1458a_200159257847_100000210202 [1,1,0,0,0,0|2,0,0]=4 1064 B7R0.2 CCC(=O)NC(C)C 11a_100138425928_100000210414 [1,1,0,0,0,0|1,0,0]=3 1065 B7R0.2 CCC(=O)NC(C)C 1626a_100138425928_100000210414 [1,1,0,0,0,0|1,0,0]=3 1066 B7R0.2 CCC(=O)NC(C)C 240690a_100138425928_100000210414 [1,1,0,0,0,0|1,0,0]=3 1067 B7R0.2 CCC(=O)NC(C)C 527a_100138425928_100000210414 [1,1,0,0,0,0|1,0,0]=3 1068 B7R0.2 CCC(C)OC(C)C 34a_100000212225_100011215416 [1,1,0,0,0,0|1,0,1]=4 1069 B7R0.2 CCC(C)OC(C)C 7a_100000210228_100000210206 [1,1,0,0,0,0|1,0,1]=4 1070 B7R0.2 CNC(=O)CC(C)C 11a_106832991635_100000210554 [1,1,0,0,0,0|2,0,0]=4 1071 B7R0.2 CNC(=O)CC(C)C 1626a_100102657272_100000210554 [1,1,0,0,0,0|2,0,0]=4 1072 B7R0.2 CNC(=O)CC(C)C 240690a_100102657272_100000210554 [1,1,0,0,0,0|2,0,0]=4 1073 B7R0.2 CNC(=O)CC(C)C 527a_100102657272_100000210554 [1,1,0,0,0,0|2,0,0]=4 1074 B7R0.2 CNC(=O)C[C@@H](C)O 240690a_100102657272_100011933948 [1,1,0,0,0,0|2,0,0]=4 1075 B7R0.2 CNC(=O)NC(C)C 2708a_100102657272_100138425928 [1,1,0,0,0,0|2,0,0]=4 1076 B7R0.2 CNC(=O)NC(C)C 2708a_100138425928_106832991635 [1,1,0,0,0,0|2,0,0]=4 1077 B7R0.2 CNC(=O)NC(C)C 273464a_100138425928_100102657272 [1,1,0,0,0,0|2,0,0]=4 1078 B7R0.2 CNC(=O)NC(C)C 512a_100138425928_100102657272 [1,1,0,0,0,0|2,0,0]=4 1079 B7R0.2 CNC(=O)NC(C)C 512a_106832991638_100138425928 [1,1,0,0,0,0|2,0,0]=4 1080 B7R0.2 C[C@@H](O)CC(=O)CF 1458a_100011933948_100015361967 [1,1,0,0,0,0|2,0,0]=4 1081 B7R0.3 C#CCCC(=O)CC 1458a_100000210414_100000753159 [1,1,0,0,0,0|1,0,1]=4 1082 B7R0.3 C#CCCC(=O)CC 1458a_100000692101_100000210202 [1,1,0,0,0,0|1,0,1]=4 1083 B7R0.3 C#CCNC(=O)CC 11a_100000212058_100000210414 [1,1,0,0,0,0|1,0,1]=4 1084 B7R0.3 C#CCNC(=O)CC 1626a_100000212058_100000210414 [1,1,0,0,0,0|1,0,1]=4 1085 B7R0.3 C#CCNC(=O)CC 240690a_100000212058_100000210414 [1,1,0,0,0,0|1,0,1]=4 1086 B7R0.3 C#CCNC(=O)CC 527a_100000212058_100000210414 [1,1,0,0,0,0|1,0,1]=4 1087 B7R0.3 C/C=C/CC(=O)CC 1458a_100000210414_100102629194 [1,1,0,0,0,0|1,0,1]=4 1088 B7R0.3 C=CCCC(=O)CC 1458a_100000210414_100000754431 [1,1,0,0,0,0|1,0,1]=4 1089 B7R0.3 C=CCCC(=O)CC 1458a_100000749702_100000210202 [1,1,0,0,0,0|1,0,1]=4 1090 B7R0.3 C=CCNC(=O)CC 1626a_100020586998_100000210414 [1,1,0,0,0,0|1,0,1]=4 1091 B7R0.3 C=CCNC(=O)CC 240690a_100020586998_100000210414 [1,1,0,0,0,0|1,0,1]=4 1092 B7R0.3 C=CCNC(=O)CC 527a_100020586998_100000210414 [1,1,0,0,0,0|1,0,1]=4 1093 B7R0.3 CC#CCC(=O)CC 1458a_100000210414_100000748600 [1,1,0,0,0,0|1,0,1]=4 1094 B7R0.3 CC=CCC(=O)CC 1458a_100000210414_100000070051 [1,1,0,0,0,0|1,0,1]=4 1095 B7R0.3 CC=CCC(=O)CC 1458a_100121576822_100000210202 [1,1,0,0,0,0|1,0,1]=4 1096 B7R0.3 CC=NNC(=O)CC 4a_100000183195_200000210099 [1,1,0,0,0,0|1,0,1]=4 1097 B7R0.3 CCC#CC(=O)CC 1458a_100011827653_100000210202 [1,1,0,0,0,0|1,0,0]=3 1098 B7R0.3 CCC#CC(=O)CF 1458a_100011827653_100015361967 [1,1,0,0,0,0|2,0,0]=4 1099 B7R0.3 CCC(=O)C#CCO 1458a_100000049017_100000210202 [1,1,0,0,0,0|1,0,1]=4 1100 B7R0.3 CCC(=O)C=COC 1458a_100016268678_100000210202 [1,1,0,0,0,0|1,0,1]=4 1101 B7R0.3 CCC(=O)CCC#N 1458a_100000210414_100011215226 [1,1,0,0,0,0|1,0,1]=4 1102 B7R0.3 CCC(=O)CCC#N 1458a_100011934036_100000210202 [1,1,0,0,0,0|1,0,1]=4 1103 B7R0.3 CCC(=O)CCCF 1458a_100000210414_100011934791 [1,1,0,0,0,0|1,0,0]=3 1104 B7R0.3 CCC(=O)CCCO 1458a_100000210414_100011215043 [1,1,0,0,0,0|1,0,0]=3 1105 B7R0.3 CCC(=O)CCOC 1458a_100000210414_100000233755 [1,1,0,0,0,0|1,0,0]=3 1106 B7R0.3 CCC(=O)CCOC 1458a_100000749529_100000210202 [1,1,0,0,0,0|1,0,0]=3 1107 B7R0.3 CCC(=O)CCSC 1458a_100000174002_100000210202 [1,1,0,0,0,0|1,0,0]=3 1108 B7R0.3 CCC(=O)CCSC 1458a_100000210414_100000751147 [1,1,0,0,0,0|1,0,0]=3 1109 B7R0.3 CCC(=O)COCF 34a_100000725409_100015361967 [1,1,0,0,0,0|1,0,0]=3 1110 B7R0.3 CCC(=O)CSCF 62a_100000747405_100015361967 [1,1,0,0,0,0|1,1,0]=4 1111 B7R0.3 CCC(=O)CSCF 62a_100015361967_100000747405 [1,1,0,0,0,0|1,1,0]=4 1112 B7R0.3 CCC(=O)NCC#N 1626a_100000734998_100000210414 [1,1,0,0,0,0|1,0,1]=4 1113 B7R0.3 CCC(=O)NCC#N 527a_100000734998_100000210414 [1,1,0,0,0,0|1,0,1]=4 1114 B7R0.3 CCC(=O)NCCF 11a_100000724931_100000210414 [1,1,0,0,0,0|1,0,0]=3 1115 B7R0.3 CCC(=O)NCCF 1626a_100000724931_100000210414 [1,1,0,0,0,0|1,0,0]=3 1116 B7R0.3 CCC(=O)NCCF 240690a_100000724931_100000210414 [1,1,0,0,0,0|1,0,0]=3 1117 B7R0.3 CCC(=O)NCCF 527a_100000724931_100000210414 [1,1,0,0,0,0|1,0,0]=3 1118 B7R0.3 CCC(=O)NCCO 240690a_100000210304_100000210414 [1,1,0,0,0,0|1,0,0]=3 1119 B7R0.3 CCC(=O)NCCO 527a_100000210304_100000210414 [1,1,0,0,0,0|1,0,0]=3 1120 B7R0.3 CCC(C)OCCBr 34a_100000211926_100011215416 [1,1,0,0,0,0|1,0,1]=4 1121 B7R0.3 CCC(C)OCCF 7a_100000210228_100011217306 [1,1,0,0,0,0|1,0,1]=4 1122 B7R0.3 CCC(C)OCCN 34a_100000210304_100011215416 [1,1,0,0,0,0|1,0,1]=4 1123 B7R0.3 CCC(C)OCCO 7a_100000210228_100000211926 [1,1,0,0,0,0|1,0,1]=4 1124 B7R0.3 CCC=CC(=O)CC 1458a_100000212282_100000210202 [1,1,0,0,0,0|1,0,0]=3 1125 B7R0.3 CCC=CC(=O)CF 1458a_100000212282_100015361967 [1,1,0,0,0,0|2,0,0]=4 1126 B7R0.3 CCC=CC(=O)NC 11a_106832991635_100000212282 [1,1,0,0,0,0|2,0,0]=4 1127 B7R0.3 CCC=CC(=O)NC 1626a_100102657272_100000212282 [1,1,0,0,0,0|2,0,0]=4 1128 B7R0.3 CCC=CC(=O)NC 240690a_100102657272_100000212282 [1,1,0,0,0,0|2,0,0]=4 1129 B7R0.3 CCCCC(=O)CC 1458a_100000210183_100000210202 [1,1,0,0,0,0|1,0,0]=3 1130 B7R0.3 CCCCC(=O)CC 1458a_100000210414_100000210211 [1,1,0,0,0,0|1,0,0]=3 1131 B7R0.3 CCCCC(=O)CF 1458a_100000210183_100015361967 [1,1,0,0,0,0|2,0,0]=4 1132 B7R0.3 CCCCC(=O)CO 1458a_100000210174_100000210211 [1,1,0,0,0,0|1,1,0]=4 1133 B7R0.3 CCCCC(=O)NC 11a_106832991635_100000210183 [1,1,0,0,0,0|2,0,0]=4 1134 B7R0.3 CCCCC(=O)NC 1626a_100102657272_100000210183 [1,1,0,0,0,0|2,0,0]=4 1135 B7R0.3 CCCCC(=O)NC 240690a_100102657272_100000210183 [1,1,0,0,0,0|2,0,0]=4 1136 B7R0.3 CCCCC(=O)NC 527a_100102657272_100000210183 [1,1,0,0,0,0|2,0,0]=4 1137 B7R0.3 CCCNC(=O)CC 11a_100020643023_100000210414 [1,1,0,0,0,0|1,0,0]=3 1138 B7R0.3 CCCNC(=O)CC 1626a_100020643023_100000210414 [1,1,0,0,0,0|1,0,0]=3 1139 B7R0.3 CCCNC(=O)CC 240690a_100020643023_100000210414 [1,1,0,0,0,0|1,0,0]=3 1140 B7R0.3 CCCNC(=O)CC 527a_100020643023_100000210414 [1,1,0,0,0,0|1,0,0]=3 1141 B7R0.3 CCCNC(=O)CO 240690a_100020643023_100000210174 [1,1,0,0,0,0|1,1,0]=4 1142 B7R0.3 CCCNC(=O)CO 527a_100020643023_100000210174 [1,1,0,0,0,0|1,1,0]=4 1143 B7R0.3 CCCNC(=O)NC 2708a_100020643023_106832991635 [1,1,0,0,0,0|2,0,0]=4 1144 B7R0.3 CCCNC(=O)NC 2708a_100102657272_100020643023 [1,1,0,0,0,0|2,0,0]=4 1145 B7R0.3 CCCNC(=O)NC 273464a_100020643023_100102657272 [1,1,0,0,0,0|2,0,0]=4 1146 B7R0.3 CCCNC(=O)NC 273464a_100102657272_100020643023 [1,1,0,0,0,0|2,0,0]=4 1147 B7R0.3 CCCNC(=O)NC 512a_100020643023_100102657272 [1,1,0,0,0,0|2,0,0]=4 1148 B7R0.3 CCCNC(=O)NC 512a_106832991638_100020643023 [1,1,0,0,0,0|2,0,0]=4 1149 B7R0.3 CCCOC(C)CC 34a_100000210258_100011215416 [1,1,0,0,0,0|1,0,1]=4 1150 B7R0.3 CCCOC(C)CC 7a_100000210228_100000210303 [1,1,0,0,0,0|1,0,1]=4 1151 B7R0.3 CCNCC(=O)NC 2230a_100000693194_100000210202 [1,1,0,0,0,0|2,0,0]=4 1152 B7R0.3 CCNCC(=O)NC 2230a_100015525214_100000183359 [1,1,0,0,0,0|2,0,0]=4 1153 B7R0.3 CCNCC(=O)OC 2230a_100015525214_100000747449 [1,1,0,0,0,0|2,0,0]=4 1154 B7R0.3 CCNNC(=O)CC 22a_100000756455_100000210414 [1,1,0,0,0,0|1,0,0]=3 1155 B7R0.3 CCNNC(=O)CO 22a_100000756455_100000210174 [1,1,0,0,0,0|1,1,0]=4 1156 B7R0.3 CCNNC(=O)NC 273464a_100102657272_100000756455 [1,1,0,0,0,0|2,0,0]=4 1157 B7R0.3 CCNNC(=O)NC 512a_100000756455_100102657272 [1,1,0,0,0,0|2,0,0]=4 1158 B7R0.3 CCNNC(=O)NC 512a_106832991638_100000756455 [1,1,0,0,0,0|2,0,0]=4 1159 B7R0.3 CCOCC(=O)CC 1458a_100000211967_100000210202 [1,1,0,0,0,0|0,0,0]=2 1160 B7R0.3 CCOCC(=O)CC 34a_100000725409_100000210202 [1,1,0,0,0,0|0,0,0]=2 1161 B7R0.3 CCOCC(=O)CF 1458a_100000211967_100015361967 [1,1,0,0,0,0|1,0,0]=3 1162 B7R0.3 CCOCC(=O)NC 11a_106832991635_100000211967 [1,1,0,0,0,0|1,0,0]=3 1163 B7R0.3 CCOCC(=O)NC 1626a_100102657272_100000211967 [1,1,0,0,0,0|1,0,0]=3 1164 B7R0.3 CCOCC(=O)NC 240690a_100102657272_100000211967 [1,1,0,0,0,0|1,0,0]=3 1165 B7R0.3 CCOCC(=O)NC 34a_100000750040_100000210202 [1,1,0,0,0,0|1,0,0]=3 1166 B7R0.3 CCOCC(=O)NC 34a_100121572206_100000183359 [1,1,0,0,0,0|1,0,0]=3 1167 B7R0.3 CCOCC(=O)NC 527a_100102657272_100000211967 [1,1,0,0,0,0|1,0,0]=3 1168 B7R0.3 CCOCC(=O)OC 34a_100121572206_100000747449 [1,1,0,0,0,0|1,0,0]=3 1169 B7R0.3 CCOCC(C)CC 34a_100121572206_100000748023 [1,1,0,0,0,0|1,0,1]=4 1170 B7R0.3 CCOCC(O)CC 34a_100121572206_100011218378 [1,1,0,0,0,0|0,0,2]=4 1171 B7R0.3 CCOCN(C)CC 269982a_100000225621_100000739092 [1,1,0,0,0,0|2,0,0]=4 1172 B7R0.3 CCOC[C@@H](C)CC 34a_100121572206_100009816398 [1,1,0,0,0,0|1,0,1]=4 1173 B7R0.3 CCOC[C@@H](C)CC 7a_100009816381_100000210202 [1,1,0,0,0,0|1,0,1]=4 1174 B7R0.3 CCSCC(=O)CC 1458a_100000230394_100000210202 [1,1,0,0,0,0|0,1,0]=3 1175 B7R0.3 CCSCC(=O)CC 62a_100000210202_100000747405 [1,1,0,0,0,0|0,1,0]=3 1176 B7R0.3 CCSCC(=O)CC 62a_100000747405_100000210202 [1,1,0,0,0,0|0,1,0]=3 1177 B7R0.3 CCSCC(=O)CF 1458a_100000230394_100015361967 [1,1,0,0,0,0|1,1,0]=4 1178 B7R0.3 CCSCC(=O)NC 11a_106832991635_100000230394 [1,1,0,0,0,0|1,1,0]=4 1179 B7R0.3 CCSCC(=O)NC 1626a_100102657272_100000230394 [1,1,0,0,0,0|1,1,0]=4 1180 B7R0.3 CCSCC(=O)NC 240690a_100102657272_100000230394 [1,1,0,0,0,0|1,1,0]=4 1181 B7R0.3 CCSCC(=O)NC 527a_100102657272_100000230394 [1,1,0,0,0,0|1,1,0]=4 1182 B7R0.3 CCSCC(=O)NC 62a_100000183359_100000210202 [1,1,0,0,0,0|1,1,0]=4 1183 B7R0.3 CCSCC(=O)NC 62a_100000210202_100000183359 [1,1,0,0,0,0|1,1,0]=4 1184 B7R0.3 CCSCC(=O)OC 62a_100000210202_100000747449 [1,1,0,0,0,0|1,1,0]=4 1185 B7R0.3 CCSCC(=O)OC 62a_100000747449_100000210202 [1,1,0,0,0,0|1,1,0]=4 1186 B7R0.3 CNC(=O)CCN[13CH3] 2230a_100000738227_200025704644 [1,1,0,0,0,0|2,0,0]=4 1187 B7R0.3 CNC(=O)CCN[13CH3] 34a_100000738227_200025704644 [1,1,0,0,0,0|2,0,0]=4 1188 B7R0.3 CNC(=O)CCOC 11a_106832991635_100000749529 [1,1,0,0,0,0|2,0,0]=4 1189 B7R0.3 CNC(=O)CCOC 1626a_100102657272_100000749529 [1,1,0,0,0,0|2,0,0]=4 1190 B7R0.3 CNC(=O)CCOC 240690a_100102657272_100000749529 [1,1,0,0,0,0|2,0,0]=4 1191 B7R0.3 CNC(=O)CCOC 34a_100000754576_200000210301 [1,1,0,0,0,0|2,0,0]=4 1192 B7R0.3 CNC(=O)CCOC 34a_100138415774_100012179268 [1,1,0,0,0,0|2,0,0]=4 1193 B7R0.3 CNC(=O)CCOC 527a_100102657272_100000749529 [1,1,0,0,0,0|2,0,0]=4 1194 B7R0.3 CNC(=O)CCO[13CH3] 34a_100000754576_200025704644 [1,1,0,0,0,0|2,0,0]=4 1195 B7R0.3 CNC(=O)CCSC 11a_106832991635_100000174002 [1,1,0,0,0,0|2,0,0]=4 1196 B7R0.3 CNC(=O)CCSC 1626a_100102657272_100000174002 [1,1,0,0,0,0|2,0,0]=4 1197 B7R0.3 CNC(=O)CCSC 240690a_100102657272_100000174002 [1,1,0,0,0,0|2,0,0]=4 1198 B7R0.3 CNC(=O)CCSC 527a_100102657272_100000174002 [1,1,0,0,0,0|2,0,0]=4 1199 B7R0.3 CNC(=O)CCSC 62a_100000737683_200000210301 [1,1,0,0,0,0|2,0,0]=4 1200 B7R0.3 CNC(=O)CCSC 62a_200000210301_100000737683 [1,1,0,0,0,0|2,0,0]=4 1201 B7R0.3 CNC(=O)CCS[13CH3] 62a_100000737683_200025704644 [1,1,0,0,0,0|2,0,0]=4 1202 B7R0.3 CNC(=O)CCS[13CH3] 62a_200025704644_100000737683 [1,1,0,0,0,0|2,0,0]=4 1203 B7R0.3 CNC(=O)COCF 34a_100000750040_100015361967 [1,1,0,0,0,0|2,0,0]=4 1204 B7R0.3 CNC(=O)NCCF 2708a_100102657272_100000724931 [1,1,0,0,0,0|2,0,0]=4 1205 B7R0.3 CNC(=O)NCCF 273464a_100000724931_100102657272 [1,1,0,0,0,0|2,0,0]=4 1206 B7R0.3 CNC(=O)NCCF 273464a_100102657272_100000724931 [1,1,0,0,0,0|2,0,0]=4 1207 B7R0.3 CNC(=O)NCCF 512a_106832991638_100000724931 [1,1,0,0,0,0|2,0,0]=4 1208 B7R0.3 CNC(=O)NCCO 2708a_100102657272_100000210304 [1,1,0,0,0,0|2,0,0]=4 1209 B7R0.3 CNC(=O)NCCO 273464a_100000210304_100102657272 [1,1,0,0,0,0|2,0,0]=4 1210 B7R0.3 CNC(=O)NCCO 273464a_100102657272_100000210304 [1,1,0,0,0,0|2,0,0]=4 1211 B7R0.3 CNC(=O)NCCO 512a_106832991638_100000210304 [1,1,0,0,0,0|2,0,0]=4 1212 B7R0.3 CNCCC(=O)NC 2230a_100000738227_200000210301 [1,1,0,0,0,0|2,0,0]=4 1213 B7R0.3 CNCCC(=O)NC 2230a_106832991635_100000737683 [1,1,0,0,0,0|2,0,0]=4 1214 B7R0.3 CNCCC(=O)NC 34a_100000738227_200000210301 [1,1,0,0,0,0|2,0,0]=4 1215 B7R0.3 CNCCC(=O)NC 34a_100102657272_100012179268 [1,1,0,0,0,0|2,0,0]=4 1216 B7R0.3 CNCCC(=O)NC 7a_106832991635_100000737683 [1,1,0,0,0,0|2,0,0]=4 1217 B7R0.3 CNCCC(=O)OC 2230a_106832991635_100000204255 [1,1,0,0,0,0|2,0,0]=4 1218 B7R0.3 CNCCC(=O)OC 34a_100102657272_100000742370 [1,1,0,0,0,0|2,0,0]=4 1219 B7R0.3 CNCCC(=O)OC 7a_106832991635_100000204255 [1,1,0,0,0,0|2,0,0]=4 1220 B7R0.3 COC(=O)CCSC 62a_100000204255_200000210301 [1,1,0,0,0,0|2,0,0]=4 1221 B7R0.3 COC(=O)CCSC 62a_200000210301_100000204255 [1,1,0,0,0,0|2,0,0]=4 1222 B7R0.3 COC(=O)CCS[13CH3] 62a_100000204255_200025704644 [1,1,0,0,0,0|2,0,0]=4 1223 B7R0.3 COC(=O)CCS[13CH3] 62a_200025704644_100000204255 [1,1,0,0,0,0|2,0,0]=4 1224 B7R0.3 COC(=O)OCSC 62a_200000210301_100000139417 [1,1,0,0,0,0|1,0,0]=3 1225 B7R0.3 COC(=O)OCS[13CH3] 62a_200025704644_100000139417 [1,1,0,0,0,0|1,0,0]=3 1226 B7R0.3 COCCC(=O)CF 1458a_100000749529_100015361967 [1,1,0,0,0,0|2,0,0]=4 1227 B7R0.3 COCCC(=O)CO 1458a_100000210174_100000233755 [1,1,0,0,0,0|1,1,0]=4 1228 B7R0.3 COCCC(=O)OC 34a_100138415774_100000742370 [1,1,0,0,0,0|2,0,0]=4 1229 B7R0.3 CSCCC(=O)CF 1458a_100000174002_100015361967 [1,1,0,0,0,0|2,0,0]=4 1230 B7R0.3 CSCCC(=O)CO 1458a_100000210174_100000751147 [1,1,0,0,0,0|1,1,0]=4 1231 B7R0.3 O=C(CO)CCCF 1458a_100000210174_100011934791 [1,1,0,0,0,0|1,1,0]=4 1232 B7R0.3 O=C(CO)CCCO 1458a_100000210174_100011215043 [1,1,0,0,0,0|1,1,0]=4 1233 B7R0.3 O=C(CO)NCCF 240690a_100000724931_100000210174 [1,1,0,0,0,0|1,1,0]=4 1234 B7R0.3 O=C(CO)NCCF 527a_100000724931_100000210174 [1,1,0,0,0,0|1,1,0]=4 1235 B7R0.3 O=C(CO)NCCO 240690a_100000210304_100000210174 [1,1,0,0,0,0|1,1,0]=4 1236 B7R0.3 O=C(CO)NCCO 527a_100000210304_100000210174 [1,1,0,0,0,0|1,1,0]=4 1237 B7R0.7 C#CCC(=O)CCC 1458a_100000211992_100000184674 [1,1,0,0,0,0|1,0,1]=4 1238 B7R0.7 C#CCC(=O)CCC 1458a_100011220946_100000210303 [1,1,0,0,0,0|1,0,1]=4 1239 B7R0.7 C#CCC(=O)NCC 527a_100015525214_100011220946 [1,1,0,0,0,0|1,0,1]=4 1240 B7R0.7 C=CCC(=O)CCC 1458a_100000210193_100000210303 [1,1,0,0,0,0|1,0,1]=4 1241 B7R0.7 C=CCC(=O)CCC 1458a_100000211992_100000210623 [1,1,0,0,0,0|1,0,1]=4 1242 B7R0.7 C=CCC(=O)NCC 11a_100015525214_100000210193 [1,1,0,0,0,0|1,0,1]=4 1243 B7R0.7 C=CCC(=O)NCC 240690a_100015525214_100000210193 [1,1,0,0,0,0|1,0,1]=4 1244 B7R0.7 C=CCC(=O)NCC 527a_100015525214_100000210193 [1,1,0,0,0,0|1,0,1]=4 1245 B7R0.7 C=COC(=O)CNC 2230a_106832991635_100000036128 [1,1,0,0,0,0|0,0,2]=4 1246 B7R0.7 C=COC(=O)CNC 34a_100102657272_100000036128 [1,1,0,0,0,0|0,0,2]=4 1247 B7R0.7 C=COC(=O)COC 34a_100138415774_100000036128 [1,1,0,0,0,0|0,0,2]=4 1248 B7R0.7 C=COC(=O)CSC 62a_100000036128_200000210301 [1,1,0,0,0,0|0,0,2]=4 1249 B7R0.7 C=COC(=O)CSC 62a_200000210301_100000036128 [1,1,0,0,0,0|0,0,2]=4 1250 B7R0.7 C=COC(=O)CS[13CH3] 62a_100000036128_200025704644 [1,1,0,0,0,0|0,0,2]=4 1251 B7R0.7 C=COC(=O)CS[13CH3] 62a_200025704644_100000036128 [1,1,0,0,0,0|0,0,2]=4 1252 B7R0.7 CC#CC(=O)CCC 1458a_100000763181_100000210303 [1,1,0,0,0,0|1,0,1]=4 1253 B7R0.7 CC#CC(=O)CCF 1458a_100000763181_100011217306 [1,1,0,0,0,0|1,0,1]=4 1254 B7R0.7 CC#CC(=O)CCO 1458a_100000763181_100000211926 [1,1,0,0,0,0|1,0,1]=4 1255 B7R0.7 CC=CC(=O)CCC 1458a_100000210699_100000210303 [1,1,0,0,0,0|1,0,1]=4 1256 B7R0.7 CC=CC(=O)CCF 1458a_100000210699_100011217306 [1,1,0,0,0,0|1,0,1]=4 1257 B7R0.7 CC=CC(=O)CCO 1458a_100000210699_100000211926 [1,1,0,0,0,0|1,0,1]=4 1258 B7R0.7 CC=CC(=O)NCC 11a_100015525214_100000210699 [1,1,0,0,0,0|1,0,1]=4 1259 B7R0.7 CC=CC(=O)NCC 240690a_100015525214_100000210699 [1,1,0,0,0,0|1,0,1]=4 1260 B7R0.7 CCCC(=O)CC#N 1458a_100000211992_100011214920 [1,1,0,0,0,0|1,0,1]=4 1261 B7R0.7 CCCC(=O)CC#N 1458a_100051588842_100000210303 [1,1,0,0,0,0|1,0,1]=4 1262 B7R0.7 CCCC(=O)CCC 1458a_100000211992_100000210303 [1,1,0,0,0,0|1,0,0]=3 1263 B7R0.7 CCCC(=O)CCF 1458a_100000211992_100011217306 [1,1,0,0,0,0|1,0,0]=3 1264 B7R0.7 CCCC(=O)CCO 1458a_100000211992_100000211926 [1,1,0,0,0,0|1,0,0]=3 1265 B7R0.7 CCCC(=O)CCO 1458a_100011216618_100000210303 [1,1,0,0,0,0|1,0,0]=3 1266 B7R0.7 CCCC(=O)CNC 2230a_106832991635_100000747444 [1,1,0,0,0,0|1,0,0]=3 1267 B7R0.7 CCCC(=O)CNC 7a_106832991635_100000747444 [1,1,0,0,0,0|1,0,0]=3 1268 B7R0.7 CCCC(=O)COC 1458a_100000210968_100000210303 [1,1,0,0,0,0|1,0,0]=3 1269 B7R0.7 CCCC(=O)CSC 1458a_100000184570_100000210303 [1,1,0,0,0,0|1,0,0]=3 1270 B7R0.7 CCCC(=O)CSC 62a_100000747444_200000210301 [1,1,0,0,0,0|1,0,0]=3 1271 B7R0.7 CCCC(=O)CSC 62a_200000210301_100000747444 [1,1,0,0,0,0|1,0,0]=3 1272 B7R0.7 CCCC(=O)CS[13CH3] 62a_100000747444_200025704644 [1,1,0,0,0,0|1,0,0]=3 1273 B7R0.7 CCCC(=O)CS[13CH3] 62a_200025704644_100000747444 [1,1,0,0,0,0|1,0,0]=3 1274 B7R0.7 CCCC(=O)NCC 11a_100015525214_100000211992 [1,1,0,0,0,0|1,0,0]=3 1275 B7R0.7 CCCC(=O)NCC 240690a_100015525214_100000211992 [1,1,0,0,0,0|1,0,0]=3 1276 B7R0.7 CCCC(=O)NCC 527a_100015525214_100000211992 [1,1,0,0,0,0|1,0,0]=3 1277 B7R0.7 CCCC(=O)NNC 22a_100016993582_100000211992 [1,1,0,0,0,0|2,0,0]=4 1278 B7R0.7 CCCC(C)OCC 34a_100000764384_100000210202 [1,1,0,0,0,0|1,0,1]=4 1279 B7R0.7 CCCC(C)OCC 34a_100121572206_100000766640 [1,1,0,0,0,0|1,0,1]=4 1280 B7R0.7 CCCC(C)OCC 7a_100000764384_100000210202 [1,1,0,0,0,0|1,0,1]=4 1281 B7R0.7 CCNC(=O)CC#N 240690a_100015525214_100051588842 [1,1,0,0,0,0|1,0,1]=4 1282 B7R0.7 CCNC(=O)CCO 240690a_100015525214_100011216618 [1,1,0,0,0,0|1,0,0]=3 1283 B7R0.7 CCNC(=O)CNC 2230a_100016988866_200000210301 [1,1,0,0,0,0|1,0,0]=3 1284 B7R0.7 CCNC(=O)CNC 2230a_106832991635_100000183381 [1,1,0,0,0,0|1,0,0]=3 1285 B7R0.7 CCNC(=O)CNC 34a_100102657272_100000183381 [1,1,0,0,0,0|1,0,0]=3 1286 B7R0.7 CCNC(=O)CNC 7a_106832991635_100000183381 [1,1,0,0,0,0|1,0,0]=3 1287 B7R0.7 CCNC(=O)CN[13CH3] 2230a_100016988866_200025704644 [1,1,0,0,0,0|1,0,0]=3 1288 B7R0.7 CCNC(=O)COC 11a_100015525214_100000210968 [1,1,0,0,0,0|1,0,0]=3 1289 B7R0.7 CCNC(=O)COC 240690a_100015525214_100000210968 [1,1,0,0,0,0|1,0,0]=3 1290 B7R0.7 CCNC(=O)COC 34a_100138415774_100000183381 [1,1,0,0,0,0|1,0,0]=3 1291 B7R0.7 CCNC(=O)COC 527a_100015525214_100000210968 [1,1,0,0,0,0|1,0,0]=3 1292 B7R0.7 CCNC(=O)CSC 11a_100015525214_100000184570 [1,1,0,0,0,0|1,0,0]=3 1293 B7R0.7 CCNC(=O)CSC 240690a_100015525214_100000184570 [1,1,0,0,0,0|1,0,0]=3 1294 B7R0.7 CCNC(=O)CSC 527a_100015525214_100000184570 [1,1,0,0,0,0|1,0,0]=3 1295 B7R0.7 CCNC(=O)CSC 62a_100000183381_200000210301 [1,1,0,0,0,0|1,0,0]=3 1296 B7R0.7 CCNC(=O)CSC 62a_200000210301_100000183381 [1,1,0,0,0,0|1,0,0]=3 1297 B7R0.7 CCNC(=O)CS[13CH3] 62a_100000183381_200025704644 [1,1,0,0,0,0|1,0,0]=3 1298 B7R0.7 CCNC(=O)CS[13CH3] 62a_200025704644_100000183381 [1,1,0,0,0,0|1,0,0]=3 1299 B7R0.7 CCNC(=O)NCC 2708a_100015525214_100015525214 [1,1,0,0,0,0|1,0,0]=3 1300 B7R0.7 CCNC(=O)NCC 273464a_100015525214_100015525214 [1,1,0,0,0,0|1,0,0]=3 1301 B7R0.7 CCNC(=O)NCC 512a_100015525214_100015525214 [1,1,0,0,0,0|1,0,0]=3 1302 B7R0.7 CCNC(=O)NNC 273464a_100015525214_100016993582 [1,1,0,0,0,0|2,0,0]=4 1303 B7R0.7 CCNC(=O)NNC 512a_100015525214_100016993582 [1,1,0,0,0,0|2,0,0]=4 1304 B7R0.7 CCNC(=O)NNC 512a_100016993582_100015525214 [1,1,0,0,0,0|2,0,0]=4 1305 B7R0.7 CCOC(=O)CNC 2230a_106832991635_100000188475 [1,1,0,0,0,0|0,0,0]=2 1306 B7R0.7 CCOC(=O)CNC 34a_100102657272_100000188475 [1,1,0,0,0,0|0,0,0]=2 1307 B7R0.7 CCOC(=O)CNC 7a_106832991635_100000188475 [1,1,0,0,0,0|0,0,0]=2 1308 B7R0.7 CCOC(=O)COC 34a_100138415774_100000188475 [1,1,0,0,0,0|0,0,0]=2 1309 B7R0.7 CCOC(=O)CSC 62a_100000188475_200000210301 [1,1,0,0,0,0|0,0,0]=2 1310 B7R0.7 CCOC(=O)CSC 62a_200000210301_100000188475 [1,1,0,0,0,0|0,0,0]=2 1311 B7R0.7 CCOC(=O)CS[13CH3] 62a_100000188475_200025704644 [1,1,0,0,0,0|0,0,0]=2 1312 B7R0.7 CCOC(=O)CS[13CH3] 62a_200025704644_100000188475 [1,1,0,0,0,0|0,0,0]=2 1313 B7R0.7 CCOC(C)CCBr 34a_100012276601_100000210202 [1,1,0,0,0,0|1,0,1]=4 1314 B7R0.7 CCOC(C)CCO 34a_100121572206_100009893172 [1,1,0,0,0,0|1,0,1]=4 1315 B7R0.7 CCOC(C)COC 34a_100121572206_100000765312 [1,1,0,0,0,0|1,0,1]=4 1316 B7R0.7 CCO[C@H](C)COC 34a_100011934205_100000210202 [1,1,0,0,0,0|1,0,1]=4 1317 B7R0.7 CNCC(=O)NCO 2230a_106832991635_100000185155 [1,1,0,0,0,0|2,0,0]=4 1318 B7R0.7 CNCC(=O)NCO 34a_100102657272_100000185155 [1,1,0,0,0,0|2,0,0]=4 1319 B7R0.7 CNCC(=O)NCO 7a_106832991635_100000185155 [1,1,0,0,0,0|2,0,0]=4 1320 B7R0.7 CNNC(=O)CCO 22a_100016993582_100011216618 [1,1,0,0,0,0|2,0,0]=4 1321 B7R0.7 CNNC(=O)COC 22a_100016993582_100000210968 [1,1,0,0,0,0|2,0,0]=4 1322 B7R0.7 CNNC(=O)CSC 22a_100016993582_100000184570 [1,1,0,0,0,0|2,0,0]=4 1323 B7R0.7 COCC(=O)CCF 1458a_100000210968_100011217306 [1,1,0,0,0,0|2,0,0]=4 1324 B7R0.7 COCC(=O)CCO 1458a_100000210968_100000211926 [1,1,0,0,0,0|2,0,0]=4 1325 B7R0.7 COCC(=O)NCO 34a_100138415774_100000185155 [1,1,0,0,0,0|2,0,0]=4 1326 B7R0.7 CSCC(=O)CCF 1458a_100000184570_100011217306 [1,1,0,0,0,0|2,0,0]=4 1327 B7R0.7 CSCC(=O)CCO 1458a_100000184570_100000211926 [1,1,0,0,0,0|2,0,0]=4 1328 B7R0.7 CSCC(=O)NCO 62a_100000185155_200000210301 [1,1,0,0,0,0|2,0,0]=4 1329 B7R0.7 CSCC(=O)NCO 62a_200000210301_100000185155 [1,1,0,0,0,0|2,0,0]=4 1330 B7R0.7 O=C(CCO)CCF 1458a_100011216618_100011217306 [1,1,0,0,0,0|2,0,0]=4 1331 B7R0.7 O=C(CCO)CCO 1458a_100011216618_100000211926 [1,1,0,0,0,0|2,0,0]=4 1332 B7R0.7 [13CH3]SCC(=O)NCO 62a_100000185155_200025704644 [1,1,0,0,0,0|2,0,0]=4 1333 B7R0.7 [13CH3]SCC(=O)NCO 62a_200025704644_100000185155 [1,1,0,0,0,0|2,0,0]=4 1334 B7R0.10 C/C=C(\C)/C(=O)CC 1458a_100020587367_100000210202 [1,1,0,0,0,0|1,0,1]=4 1335 B7R0.10 CCC(=O)C(=O)NC 1458a_100011218921_100000210202 [1,1,0,0,0,0|2,0,0]=4 1336 B7R0.10 CCC(=O)C(C)CC 1458a_100000210414_100000758301 [1,1,0,0,0,0|1,0,0]=3 1337 B7R0.10 CCC(=O)C(C)CC 1458a_100011192722_100000210202 [1,1,0,0,0,0|1,0,0]=3 1338 B7R0.10 CCC(=O)C(C)NC 2230a_106832991635_100000742827 [1,1,0,0,0,0|2,0,0]=4 1339 B7R0.10 CCC(=O)C(C)NC 7a_106832991635_100000742827 [1,1,0,0,0,0|2,0,0]=4 1340 B7R0.10 CCC(=O)C(C)OC 1458a_100000743197_100000210202 [1,1,0,0,0,0|2,0,0]=4 1341 B7R0.10 CCC(=O)C(C)SC 1458a_100000149566_100000210202 [1,1,0,0,0,0|2,0,0]=4 1342 B7R0.10 CCC(=O)C(C)SC 62a_100000742827_200000210301 [1,1,0,0,0,0|2,0,0]=4 1343 B7R0.10 CCC(=O)C(C)SC 62a_200000210301_100000742827 [1,1,0,0,0,0|2,0,0]=4 1344 B7R0.10 CCC(=O)C(C)S[13CH3] 62a_100000742827_200025704644 [1,1,0,0,0,0|2,0,0]=4 1345 B7R0.10 CCC(=O)C(C)S[13CH3] 62a_200025704644_100000742827 [1,1,0,0,0,0|2,0,0]=4 1346 B7R0.10 CCC(=O)C(O)CC 1458a_100011196387_100000210202 [1,1,0,0,0,0|1,0,0]=3 1347 B7R0.10 CCC(=O)C(O)CO 1458a_100011215603_100000210202 [1,1,0,0,0,0|2,0,0]=4 1348 B7R0.10 CCC(=O)N(C)CC 11a_100000225621_100000210414 [1,1,0,0,0,0|1,0,0]=3 1349 B7R0.10 CCC(=O)N(C)CC 1626a_100000225621_100000210414 [1,1,0,0,0,0|1,0,0]=3 1350 B7R0.10 CCC(=O)N(C)CC 240690a_100000225621_100000210414 [1,1,0,0,0,0|1,0,0]=3 1351 B7R0.10 CCC(=O)N(C)CC 527a_100000225621_100000210414 [1,1,0,0,0,0|1,0,0]=3 1352 B7R0.10 CCC(C)C(=O)CF 1458a_100011192722_100015361967 [1,1,0,0,0,0|2,0,0]=4 1353 B7R0.10 CCC(C)C(=O)CO 1458a_100000210174_100000758301 [1,1,0,0,0,0|1,1,0]=4 1354 B7R0.10 CCC(C)C(=O)NC 11a_106832991635_100011192722 [1,1,0,0,0,0|2,0,0]=4 1355 B7R0.10 CCC(C)C(=O)NC 1626a_100102657272_100011192722 [1,1,0,0,0,0|2,0,0]=4 1356 B7R0.10 CCC(C)C(=O)NC 240690a_100102657272_100011192722 [1,1,0,0,0,0|2,0,0]=4 1357 B7R0.10 CCC(C)C(=O)NC 527a_100102657272_100011192722 [1,1,0,0,0,0|2,0,0]=4 1358 B7R0.10 CCC(O)C(=O)CF 1458a_100011196387_100015361967 [1,1,0,0,0,0|2,0,0]=4 1359 B7R0.10 CCC(O)C(=O)NC 240690a_100102657272_100011196387 [1,1,0,0,0,0|2,0,0]=4 1360 B7R0.10 CCN(C)C(=O)CO 240690a_100000225621_100000210174 [1,1,0,0,0,0|1,1,0]=4 1361 B7R0.10 CCN(C)C(=O)CO 527a_100000225621_100000210174 [1,1,0,0,0,0|1,1,0]=4 1362 B7R0.10 CCN(C)C(=O)NC 2708a_100102657272_100000225621 [1,1,0,0,0,0|2,0,0]=4 1363 B7R0.10 CCN(C)C(=O)NC 273464a_100102657272_100000225621 [1,1,0,0,0,0|2,0,0]=4 1364 B7R0.11 CCNS(=O)(=O)CC 270084a_100015525214_100000211323 [1,1,0,0,0,0|2,0,0]=4 1365 B7R0.11 CCNS(=O)(=O)CC 274078a_100015525214_100000211323 [1,1,0,0,0,0|2,0,0]=4 1366 B7R0.11 CCNS(=O)(=O)CC 40a_100015525214_100000053943 [1,1,0,0,0,0|2,0,0]=4 1367 B7R0.11 CCOC(C)(C)CC 7a_100000210230_100000210202 [1,1,0,0,0,0|1,0,1]=4 1368 B7R0.12 C#CC(CC)OCC 34a_100000758843_100000210202 [1,1,0,0,0,0|1,0,1]=4 1369 B7R0.12 C#CC(CC)OCC 7a_100000758843_100000210202 [1,1,0,0,0,0|1,0,1]=4 1370 B7R0.12 C=CC(CC)OCC 34a_100000766422_100000210202 [1,1,0,0,0,0|1,0,1]=4 1371 B7R0.12 C=CC(CC)OCC 7a_100000766422_100000210202 [1,1,0,0,0,0|1,0,1]=4 1372 B7R0.12 CCOC(CC)CC 7a_100000688536_100000210202 [1,1,0,0,0,0|1,0,1]=4 1373 B7R0.14 CC(C)(C)C(=O)CF 1458a_106744555173_100015361967 [1,1,0,0,0,0|2,0,0]=4 1374 B7R0.14 CC(C)(F)C(=O)CF 1458a_100000765255_100015361967 [1,1,0,0,0,0|2,0,0]=4 1375 B7R0.14 CC(C)(O)C(=O)CF 1458a_100000242741_100015361967 [1,1,0,0,0,0|1,1,0]=4 1376 B7R0.14 CCC(=O)C(C)(C)C 1458a_106744555173_100000210202 [1,1,0,0,0,0|1,0,0]=3 1377 B7R0.14 CCC(=O)C(C)(C)F 1458a_100000765255_100000210202 [1,1,0,0,0,0|1,0,0]=3 1378 B7R0.14 CCC(=O)C(C)(C)O 1458a_100000242741_100000210202 [1,1,0,0,0,0|0,1,0]=3 1379 B7R0.14 CCC(=O)C(F)(F)F 1458a_100000210414_200000243211 [1,1,0,0,0,0|2,0,0]=4 1380 B7R0.14 CCC(=O)C(F)(F)F 1458a_100015355933_100000210202 [1,1,0,0,0,0|2,0,0]=4 1381 B7R0.14 CNC(=O)C(C)(C)C 11a_106832991635_106744555173 [1,1,0,0,0,0|2,0,0]=4 1382 B7R0.14 CNC(=O)C(C)(C)C 1626a_100102657272_106744555173 [1,1,0,0,0,0|2,0,0]=4 1383 B7R0.14 CNC(=O)C(C)(C)C 240690a_100102657272_106744555173 [1,1,0,0,0,0|2,0,0]=4 1384 B7R0.14 CNC(=O)C(C)(C)C 527a_100102657272_106744555173 [1,1,0,0,0,0|2,0,0]=4 1385 B7R0.14 CNC(=O)C(C)(C)F 11a_106832991635_100000765255 [1,1,0,0,0,0|2,0,0]=4 1386 B7R0.14 CNC(=O)C(C)(C)F 1626a_100102657272_100000765255 [1,1,0,0,0,0|2,0,0]=4 1387 B7R0.14 CNC(=O)C(C)(C)F 240690a_100102657272_100000765255 [1,1,0,0,0,0|2,0,0]=4 1388 B7R0.14 CNC(=O)C(C)(C)F 527a_100102657272_100000765255 [1,1,0,0,0,0|2,0,0]=4 1389 B7R0.14 CNC(=O)C(C)(C)O 240690a_100102657272_100000242741 [1,1,0,0,0,0|1,1,0]=4 1390 B7R0.14 CNC(=O)C(C)(F)F 11a_106832991635_100000042251 [1,1,0,0,0,0|2,0,0]=4 1391 B7R0.14 CNC(=O)C(C)(F)F 1626a_100102657272_100000042251 [1,1,0,0,0,0|2,0,0]=4 1392 B7R0.14 CNC(=O)C(C)(F)F 240690a_100102657272_100000042251 [1,1,0,0,0,0|2,0,0]=4 1393 B7R0.14 CNC(=O)C(C)(F)F 527a_100102657272_100000042251 [1,1,0,0,0,0|2,0,0]=4 1394 B7R0.16 C=C(C)C(=O)C(C)C 1458a_100000185857_100000210206 [1,1,0,0,0,0|1,0,1]=4 1395 B7R0.16 CC(C)C(=O)C(C)C 1458a_100000210198_100000210206 [1,1,0,0,0,0|1,0,0]=3 1396 B7R0.16 CC(C)C(=O)C(C)F 1458a_100000062450_100000210206 [1,1,0,0,0,0|1,0,0]=3 1397 B7R0.16 CC(C)C(=O)C(O)O 1458a_100000233687_100000210206 [1,1,0,0,0,0|1,1,0]=4 1398 B7R0.16 CC(C)C(=O)N(C)C 11a_100102631434_100000210198 [1,1,0,0,0,0|2,0,0]=4 1399 B7R0.16 CC(C)C(=O)N(C)C 1626a_100102631434_100000210198 [1,1,0,0,0,0|2,0,0]=4 1400 B7R0.16 CC(C)C(=O)N(C)C 240690a_100102631434_100000210198 [1,1,0,0,0,0|2,0,0]=4 1401 B7R0.16 CC(C)C(=O)N(C)C 527a_100102631434_100000210198 [1,1,0,0,0,0|2,0,0]=4 1402 B7R0.16 CC(C)C(=O)[C@@H](C)O 1458a_100000717761_100000210206 [1,1,0,0,0,0|0,1,0]=3 1403 B7R0.16 CC(C)C(=O)[C@H](C)O 1458a_217856618621_100000210206 [1,1,0,0,0,0|0,1,0]=3 1404 B7R0.16 CC(F)C(=O)N(C)C 11a_100102631434_100000062450 [1,1,0,0,0,0|2,0,0]=4 1405 B7R0.16 CC(F)C(=O)N(C)C 1626a_100102631434_100000062450 [1,1,0,0,0,0|2,0,0]=4 1406 B7R0.16 CC(F)C(=O)N(C)C 240690a_100102631434_100000062450 [1,1,0,0,0,0|2,0,0]=4 1407 B7R0.16 CC(F)C(=O)N(C)C 527a_100102631434_100000062450 [1,1,0,0,0,0|2,0,0]=4 1408 B7R0.16 C[C@@H](O)C(=O)N(C)C 240690a_100102631434_100000717761 [1,1,0,0,0,0|1,1,0]=4 1409 B7R0.16 C[C@H](O)C(=O)N(C)C 1626a_100102631434_217856618621 [1,1,0,0,0,0|1,1,0]=4 1410 B7R0.16 C[C@H](O)C(=O)N(C)C 240690a_100102631434_217856618621 [1,1,0,0,0,0|1,1,0]=4 1411 B7R0.4 CC(Br)COCCF 34a_100012180447_100011217306 [1,1,0,0,0,0|1,0,1]=4 1412 B7R0.4 CC(Br)COCCO 34a_100012180447_100000211926 [1,1,0,0,0,0|1,0,1]=4 1413 B7R0.4 CC(C)COCCBr 34a_100000211926_100000210624 [1,1,0,0,0,0|1,0,1]=4 1414 B7R0.4 CC(C)COCCF 34a_100000210257_100011217306 [1,1,0,0,0,0|1,0,1]=4 1415 B7R0.4 CC(C)COCCN 34a_100000210304_100000210624 [1,1,0,0,0,0|1,0,1]=4 1416 B7R0.4 CC(C)COCCO 34a_100000210257_100000211926 [1,1,0,0,0,0|1,0,1]=4 1417 B7R0.4 CC(F)COCCF 34a_100015925927_100011217306 [1,1,0,0,0,0|1,0,1]=4 1418 B7R0.4 CC(F)COCCO 34a_100015925927_100000211926 [1,1,0,0,0,0|1,0,1]=4 1419 B7R0.4 CC(O)COCCBr 34a_100000211926_100011218427 [1,1,0,0,0,0|0,1,1]=4 1420 B7R0.4 CC(O)COCCN 34a_100000210304_100011218427 [1,1,0,0,0,0|0,1,1]=4 1421 B7R0.4 CCCOCC(C)Br 34a_100012180447_100000210303 [1,1,0,0,0,0|1,0,1]=4 1422 B7R0.4 CCCOCC(C)C 34a_100000210257_100000210303 [1,1,0,0,0,0|1,0,1]=4 1423 B7R0.4 CCCOCC(C)C 34a_100000210258_100000210624 [1,1,0,0,0,0|1,0,1]=4 1424 B7R0.4 CCCOCC(C)F 34a_100015925927_100000210303 [1,1,0,0,0,0|1,0,1]=4 1425 B7R0.4 CCCOCC(C)O 34a_100000210258_100011218427 [1,1,0,0,0,0|0,1,1]=4 1426 B7R0.4 CCCOC[C@@H](C)Cl 34a_100016084084_100000210303 [1,1,0,0,0,0|1,0,1]=4 1427 B7R0.4 CCCOC[C@@H](C)N 34a_100000737577_100000210303 [1,1,0,0,0,0|1,0,1]=4 1428 B7R0.4 CCCOC[C@@H](C)O 34a_100000210258_100009817552 [1,1,0,0,0,0|0,1,1]=4 1429 B7R0.4 CCNN=CC(C)C 4a_100000756455_100000210432 [1,1,0,0,0,0|2,0,0]=4 1430 B7R0.4 CCOC=CC(=O)C 1458a_100016266692_200000210301 [1,1,0,0,0,0|0,1,1]=4 1431 B7R0.4 CCOC=CC(=O)[13CH3] 1458a_100016266692_200025704644 [1,1,0,0,0,0|0,1,1]=4 1432 B7R0.4 CCOCC=C(C)C 34a_100000753907_100000210202 [1,1,0,0,0,0|1,0,1]=4 1433 B7R0.4 CCOCC=C(C)C 34a_100121572206_100000761012 [1,1,0,0,0,0|1,0,1]=4 1434 B7R0.4 CCOCCC(C)Br 34a_100009893172_100000210202 [1,1,0,0,0,0|1,0,1]=4 1435 B7R0.4 CCOCCC(C)C 34a_100000210254_100000210202 [1,1,0,0,0,0|1,0,1]=4 1436 B7R0.4 CCOCCC(C)C 34a_100121572206_100000210312 [1,1,0,0,0,0|1,0,1]=4 1437 B7R0.4 CCOCCC(C)C 7a_100000210254_100000210202 [1,1,0,0,0,0|1,0,1]=4 1438 B7R0.4 CCOCCC(C)O 34a_100121572206_100012276601 [1,1,0,0,0,0|0,1,1]=4 1439 B7R0.4 CCOCC[C@@H](C)N 34a_100000706166_100000210202 [1,1,0,0,0,0|1,0,1]=4 1440 B7R0.4 CCOCOC(C)C 34a_100121572206_100000709892 [1,1,0,0,0,0|1,0,1]=4 1441 B7R0.4 CCOCSC(C)C 62a_100000210206_100000739092 [1,1,0,0,0,0|1,0,1]=4 1442 B7R0.4 CCOCSC(C)C 62a_100000739092_100000210206 [1,1,0,0,0,0|1,0,1]=4 1443 B7R0.4 CSCOCC(C)Br 34a_100012180447_100011218213 [1,1,0,0,0,0|1,0,1]=4 1444 B7R0.4 CSCOCC(C)C 34a_100000210257_100011218213 [1,1,0,0,0,0|1,0,1]=4 1445 B7R0.4 CSCOCC(C)F 34a_100015925927_100011218213 [1,1,0,0,0,0|1,0,1]=4 1446 B7R0.4 CSCOC[C@@H](C)Cl 34a_100016084084_100011218213 [1,1,0,0,0,0|1,0,1]=4 1447 B7R0.4 CSCOC[C@@H](C)N 34a_100000737577_100011218213 [1,1,0,0,0,0|1,0,1]=4 1448 B7R0.4 C[C@@H](Cl)COCCF 34a_100016084084_100011217306 [1,1,0,0,0,0|1,0,1]=4 1449 B7R0.4 C[C@@H](Cl)COCCO 34a_100016084084_100000211926 [1,1,0,0,0,0|1,0,1]=4 1450 B7R0.4 C[C@@H](N)COCCF 34a_100000737577_100011217306 [1,1,0,0,0,0|1,0,1]=4 1451 B7R0.4 C[C@@H](N)COCCO 34a_100000737577_100000211926 [1,1,0,0,0,0|1,0,1]=4 1452 B7R0.4 C[C@@H](O)COCCBr 34a_100000211926_100009817552 [1,1,0,0,0,0|0,1,1]=4 1453 B7R0.4 C[C@@H](O)COCCN 34a_100000210304_100009817552 [1,1,0,0,0,0|0,1,1]=4 1454 B7R0.6 CC(Br)COC(C)C 34a_100012180447_100000210206 [1,1,0,0,0,0|1,0,1]=4 1455 B7R0.6 CC(C)COC(C)C 34a_100000210257_100000210206 [1,1,0,0,0,0|1,0,1]=4 1456 B7R0.6 CC(C)COC(C)C 34a_100000212225_100000210624 [1,1,0,0,0,0|1,0,1]=4 1457 B7R0.6 CC(C)OC[C@@H](C)Cl 34a_100016084084_100000210206 [1,1,0,0,0,0|1,0,1]=4 1458 B7R0.6 CC(C)OC[C@@H](C)N 34a_100000737577_100000210206 [1,1,0,0,0,0|1,0,1]=4 1459 B7R0.6 CC(C)OC[C@@H](C)O 34a_100000212225_100009817552 [1,1,0,0,0,0|0,1,1]=4 1460 B7R0.6 CC(F)COC(C)C 34a_100015925927_100000210206 [1,1,0,0,0,0|1,0,1]=4 1461 B7R0.6 CC(O)COC(C)C 34a_100000212225_100011218427 [1,1,0,0,0,0|0,1,1]=4 1462 B7R0.8 CCOCC(C)(C)C 34a_100121572206_100011219605 [1,1,0,0,0,0|1,0,1]=4 1463 B7R0.8 CCOCC(C)(C)F 34a_100000716592_100000210202 [1,1,0,0,0,0|1,0,1]=4 1464 B7R0.8 CCOCC(C)(C)F 34a_100121572206_100011997219 [1,1,0,0,0,0|1,0,1]=4 1465 B7R0.8 CCOCC(C)(C)O 34a_100121572206_100000764493 [1,1,0,0,0,0|0,1,1]=4 1466 B7R0.8 CCOCC(C)(F)F 34a_100000068830_100000210202 [1,1,0,0,0,0|1,0,1]=4 1467 B9R0.4 C=C(C)CC(=O)COCC 1458a_100000211967_100000748629 [0,1,0,0,0,1|1,0,1]=4 1468 B9R0.4 CC(C)CC(=O)CCCF 1458a_100000210554_100011934791 [0,1,0,0,0,1|2,0,0]=4 1469 B9R0.4 CC(C)CC(=O)CCCO 1458a_100000210554_100011215043 [0,1,0,0,0,1|2,0,0]=4 1470 B9R0.4 CC(C)CC(=O)NCCF 11a_100000724931_100000210554 [0,1,0,0,0,1|2,0,0]=4 1471 B9R0.4 CC(C)CC(=O)NCCF 1626a_100000724931_100000210554 [0,1,0,0,0,1|2,0,0]=4 1472 B9R0.4 CC(C)CC(=O)NCCF 240690a_100000724931_100000210554 [0,1,0,0,0,1|2,0,0]=4 1473 B9R0.4 CC(C)CC(=O)NCCF 527a_100000724931_100000210554 [0,1,0,0,0,1|2,0,0]=4 1474 B9R0.4 CC(C)CC(=O)NCCO 240690a_100000210304_100000210554 [0,1,0,0,0,1|2,0,0]=4 1475 B9R0.4 CC(C)CC(=O)NCCO 527a_100000210304_100000210554 [0,1,0,0,0,1|2,0,0]=4 1476 B9R0.4 CC(C)NC(=O)CCS[13CH3] 62a_100000737564_200025704644 [0,1,0,0,0,1|2,0,0]=4 1477 B9R0.4 CC(C)NC(=O)CCS[13CH3] 62a_200025704644_100000737564 [0,1,0,0,0,1|2,0,0]=4 1478 B9R0.4 CC(C)NC(=O)NCCF 2708a_100138425928_100000724931 [0,1,0,0,0,1|2,0,0]=4 1479 B9R0.4 CC(C)NC(=O)NCCF 273464a_100138425928_100000724931 [0,1,0,0,0,1|2,0,0]=4 1480 B9R0.4 CC(C)NC(=O)NCCF 512a_100138425928_100000724931 [0,1,0,0,0,1|2,0,0]=4 1481 B9R0.4 CC(C)NC(=O)NCCO 2708a_100138425928_100000210304 [0,1,0,0,0,1|2,0,0]=4 1482 B9R0.4 CC(C)NC(=O)NCCO 273464a_100138425928_100000210304 [0,1,0,0,0,1|2,0,0]=4 1483 B9R0.4 CC(C)NC(=O)NCCO 512a_100138425928_100000210304 [0,1,0,0,0,1|2,0,0]=4 1484 B9R0.4 CC(C)OC(=O)CCS[13CH3] 62a_100000760027_200025704644 [0,1,0,0,0,1|2,0,0]=4 1485 B9R0.4 CC(C)OC(=O)CCS[13CH3] 62a_200025704644_100000760027 [0,1,0,0,0,1|2,0,0]=4 1486 B9R0.4 CC(C)OC(=O)OCS[13CH3] 62a_100000003507_200025704644 [0,1,0,0,0,1|1,0,0]=3 1487 B9R0.4 CC(C)OC(=O)OCS[13CH3] 62a_200025704644_100000003507 [0,1,0,0,0,1|1,0,0]=3 1488 B9R0.4 CCC#CC(=O)CC(C)C 1458a_100011827653_100000210624 [0,1,0,0,0,1|2,0,0]=4 1489 B9R0.4 CCC#CC(=O)CC(C)O 1458a_100011827653_100011218427 [0,1,0,0,0,1|1,1,0]=4 1490 B9R0.4 CCC=CC(=O)CC(C)C 1458a_100000212282_100000210624 [0,1,0,0,0,1|2,0,0]=4 1491 B9R0.4 CCC=CC(=O)CC(C)O 1458a_100000212282_100011218427 [0,1,0,0,0,1|1,1,0]=4 1492 B9R0.4 CCC=CC(=O)NC(C)C 11a_100138425928_100000212282 [0,1,0,0,0,1|2,0,0]=4 1493 B9R0.4 CCC=CC(=O)NC(C)C 1626a_100138425928_100000212282 [0,1,0,0,0,1|2,0,0]=4 1494 B9R0.4 CCC=CC(=O)NC(C)C 240690a_100138425928_100000212282 [0,1,0,0,0,1|2,0,0]=4 1495 B9R0.4 CCCCC(=O)CC(C)C 1458a_100000210183_100000210624 [0,1,0,0,0,1|2,0,0]=4 1496 B9R0.4 CCCCC(=O)CC(C)C 1458a_100000210554_100000210211 [0,1,0,0,0,1|2,0,0]=4 1497 B9R0.4 CCCCC(=O)CC(C)O 1458a_100000210183_100011218427 [0,1,0,0,0,1|1,1,0]=4 1498 B9R0.4 CCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210211 [0,1,0,0,0,1|1,1,0]=4 1499 B9R0.4 CCCCC(=O)NC(C)C 11a_100138425928_100000210183 [0,1,0,0,0,1|2,0,0]=4 1500 B9R0.4 CCCCC(=O)NC(C)C 1626a_100138425928_100000210183 [0,1,0,0,0,1|2,0,0]=4 1501 B9R0.4 CCCCC(=O)NC(C)C 240690a_100138425928_100000210183 [0,1,0,0,0,1|2,0,0]=4 1502 B9R0.4 CCCCC(=O)NC(C)C 527a_100138425928_100000210183 [0,1,0,0,0,1|2,0,0]=4 1503 B9R0.4 CCCNC(=O)CC(C)C 11a_100020643023_100000210554 [0,1,0,0,0,1|2,0,0]=4 1504 B9R0.4 CCCNC(=O)CC(C)C 1626a_100020643023_100000210554 [0,1,0,0,0,1|2,0,0]=4 1505 B9R0.4 CCCNC(=O)CC(C)C 240690a_100020643023_100000210554 [0,1,0,0,0,1|2,0,0]=4 1506 B9R0.4 CCCNC(=O)CC(C)C 527a_100020643023_100000210554 [0,1,0,0,0,1|2,0,0]=4 1507 B9R0.4 CCCNC(=O)C[C@@H](C)O 240690a_100020643023_100011933948 [0,1,0,0,0,1|1,1,0]=4 1508 B9R0.4 CCCNC(=O)NC(C)C 2708a_100020643023_100138425928 [0,1,0,0,0,1|2,0,0]=4 1509 B9R0.4 CCCNC(=O)NC(C)C 2708a_100138425928_100020643023 [0,1,0,0,0,1|2,0,0]=4 1510 B9R0.4 CCCNC(=O)NC(C)C 273464a_100138425928_100020643023 [0,1,0,0,0,1|2,0,0]=4 1511 B9R0.4 CCCNC(=O)NC(C)C 512a_100020643023_100138425928 [0,1,0,0,0,1|2,0,0]=4 1512 B9R0.4 CCCNC(=O)NC(C)C 512a_100138425928_100020643023 [0,1,0,0,0,1|2,0,0]=4 1513 B9R0.4 CCCOC(=O)CC(=O)C 1458a_100000070787_200011215008 [0,1,0,0,0,1|0,1,1]=4 1514 B9R0.4 CCCOC(=O)CN(C)C 2230a_100102631434_200011215008 [0,1,0,0,0,1|2,0,0]=4 1515 B9R0.4 CCCOC(=O)CN(C)C 269982a_100102631434_200011215008 [0,1,0,0,0,1|2,0,0]=4 1516 B9R0.4 CCNCC(=O)NC(C)C 2230a_100000168517_100000210202 [0,1,0,0,0,1|2,0,0]=4 1517 B9R0.4 CCNCC(=O)NC(C)C 2230a_100015525214_100000183996 [0,1,0,0,0,1|2,0,0]=4 1518 B9R0.4 CCNCC(=O)OC(C)C 2230a_100015525214_100011215430 [0,1,0,0,0,1|2,0,0]=4 1519 B9R0.4 CCNNC(=O)CC(C)C 22a_100000756455_100000210554 [0,1,0,0,0,1|2,0,0]=4 1520 B9R0.4 CCNNC(=O)C[C@@H](C)O 22a_100000756455_100011933948 [0,1,0,0,0,1|1,1,0]=4 1521 B9R0.4 CCNNC(=O)NC(C)C 273464a_100138425928_100000756455 [0,1,0,0,0,1|2,0,0]=4 1522 B9R0.4 CCNNC(=O)NC(C)C 512a_100000756455_100138425928 [0,1,0,0,0,1|2,0,0]=4 1523 B9R0.4 CCNNC(=O)NC(C)C 512a_100138425928_100000756455 [0,1,0,0,0,1|2,0,0]=4 1524 B9R0.4 CCOCC(=O)CC(C)C 1458a_100000211967_100000210624 [0,1,0,0,0,1|1,0,0]=3 1525 B9R0.4 CCOCC(=O)CC(C)O 1458a_100000211967_100011218427 [0,1,0,0,0,1|0,1,0]=3 1526 B9R0.4 CCOCC(=O)CC(F)F 1458a_100000211967_100011934356 [0,1,0,0,0,1|2,0,0]=4 1527 B9R0.4 CCOCC(=O)NC(C)C 11a_100138425928_100000211967 [0,1,0,0,0,1|1,0,0]=3 1528 B9R0.4 CCOCC(=O)NC(C)C 1626a_100138425928_100000211967 [0,1,0,0,0,1|1,0,0]=3 1529 B9R0.4 CCOCC(=O)NC(C)C 240690a_100138425928_100000211967 [0,1,0,0,0,1|1,0,0]=3 1530 B9R0.4 CCOCC(=O)NC(C)C 34a_100121572206_100000183996 [0,1,0,0,0,1|1,0,0]=3 1531 B9R0.4 CCOCC(=O)NC(C)C 527a_100138425928_100000211967 [0,1,0,0,0,1|1,0,0]=3 1532 B9R0.4 CCOCC(=O)OC(C)C 34a_100121572206_100011215430 [0,1,0,0,0,1|1,0,0]=3 1533 B9R0.4 CCSCC(=O)CC(C)C 1458a_100000230394_100000210624 [0,1,0,0,0,1|1,1,0]=4 1534 B9R0.4 CCSCC(=O)CC(C)O 1458a_100000230394_100011218427 [0,1,0,0,0,1|0,2,0]=4 1535 B9R0.4 CCSCC(=O)NC(C)C 11a_100138425928_100000230394 [0,1,0,0,0,1|1,1,0]=4 1536 B9R0.4 CCSCC(=O)NC(C)C 1626a_100138425928_100000230394 [0,1,0,0,0,1|1,1,0]=4 1537 B9R0.4 CCSCC(=O)NC(C)C 240690a_100138425928_100000230394 [0,1,0,0,0,1|1,1,0]=4 1538 B9R0.4 CCSCC(=O)NC(C)C 527a_100138425928_100000230394 [0,1,0,0,0,1|1,1,0]=4 1539 B9R0.4 CCSCC(=O)NC(C)C 62a_100000183996_100000210202 [0,1,0,0,0,1|1,1,0]=4 1540 B9R0.4 CCSCC(=O)NC(C)C 62a_100000210202_100000183996 [0,1,0,0,0,1|1,1,0]=4 1541 B9R0.4 CCSCC(=O)OC(C)C 62a_100000210202_100011215430 [0,1,0,0,0,1|1,1,0]=4 1542 B9R0.4 CCSCC(=O)OC(C)C 62a_100011215430_100000210202 [0,1,0,0,0,1|1,1,0]=4 1543 B9R0.4 CNCCC(=O)NC(C)C 2230a_106832991635_100000737564 [0,1,0,0,0,1|2,0,0]=4 1544 B9R0.4 CNCCC(=O)NC(C)C 7a_106832991635_100000737564 [0,1,0,0,0,1|2,0,0]=4 1545 B9R0.4 CNCCC(=O)OC(C)C 2230a_106832991635_100000760027 [0,1,0,0,0,1|2,0,0]=4 1546 B9R0.4 CNCCC(=O)OC(C)C 7a_106832991635_100000760027 [0,1,0,0,0,1|2,0,0]=4 1547 B9R0.4 COCCC(=O)CC(C)C 1458a_100000210554_100000233755 [0,1,0,0,0,1|2,0,0]=4 1548 B9R0.4 COCCC(=O)CC(C)C 1458a_100000749529_100000210624 [0,1,0,0,0,1|2,0,0]=4 1549 B9R0.4 COCCC(=O)CC(C)O 1458a_100000749529_100011218427 [0,1,0,0,0,1|1,1,0]=4 1550 B9R0.4 COCCC(=O)C[C@@H](C)O 1458a_100011933948_100000233755 [0,1,0,0,0,1|1,1,0]=4 1551 B9R0.4 COCCC(=O)NC(C)C 11a_100138425928_100000749529 [0,1,0,0,0,1|2,0,0]=4 1552 B9R0.4 COCCC(=O)NC(C)C 1626a_100138425928_100000749529 [0,1,0,0,0,1|2,0,0]=4 1553 B9R0.4 COCCC(=O)NC(C)C 240690a_100138425928_100000749529 [0,1,0,0,0,1|2,0,0]=4 1554 B9R0.4 COCCC(=O)NC(C)C 527a_100138425928_100000749529 [0,1,0,0,0,1|2,0,0]=4 1555 B9R0.4 CSCCC(=O)CC(C)C 1458a_100000174002_100000210624 [0,1,0,0,0,1|2,0,0]=4 1556 B9R0.4 CSCCC(=O)CC(C)C 1458a_100000210554_100000751147 [0,1,0,0,0,1|2,0,0]=4 1557 B9R0.4 CSCCC(=O)CC(C)O 1458a_100000174002_100011218427 [0,1,0,0,0,1|1,1,0]=4 1558 B9R0.4 CSCCC(=O)C[C@@H](C)O 1458a_100011933948_100000751147 [0,1,0,0,0,1|1,1,0]=4 1559 B9R0.4 CSCCC(=O)NC(C)C 11a_100138425928_100000174002 [0,1,0,0,0,1|2,0,0]=4 1560 B9R0.4 CSCCC(=O)NC(C)C 1626a_100138425928_100000174002 [0,1,0,0,0,1|2,0,0]=4 1561 B9R0.4 CSCCC(=O)NC(C)C 240690a_100138425928_100000174002 [0,1,0,0,0,1|2,0,0]=4 1562 B9R0.4 CSCCC(=O)NC(C)C 527a_100138425928_100000174002 [0,1,0,0,0,1|2,0,0]=4 1563 B9R0.4 CSCCC(=O)NC(C)C 62a_100000737564_200000210301 [0,1,0,0,0,1|2,0,0]=4 1564 B9R0.4 CSCCC(=O)NC(C)C 62a_200000210301_100000737564 [0,1,0,0,0,1|2,0,0]=4 1565 B9R0.4 CSCCC(=O)OC(C)C 62a_100000760027_200000210301 [0,1,0,0,0,1|2,0,0]=4 1566 B9R0.4 CSCCC(=O)OC(C)C 62a_200000210301_100000760027 [0,1,0,0,0,1|2,0,0]=4 1567 B9R0.4 CSCOC(=O)OC(C)C 62a_100000003507_200000210301 [0,1,0,0,0,1|1,0,0]=3 1568 B9R0.4 CSCOC(=O)OC(C)C 62a_200000210301_100000003507 [0,1,0,0,0,1|1,0,0]=3 1569 B9R0.4 C[C@@H](O)CC(=O)CCCF 1458a_100011933948_100011934791 [0,1,0,0,0,1|1,1,0]=4 1570 B9R0.4 C[C@@H](O)CC(=O)CCCO 1458a_100011933948_100011215043 [0,1,0,0,0,1|1,1,0]=4 1571 B9R0.4 C[C@@H](O)CC(=O)NCCF 240690a_100000724931_100011933948 [0,1,0,0,0,1|1,1,0]=4 1572 B9R0.4 C[C@@H](O)CC(=O)NCCO 240690a_100000210304_100011933948 [0,1,0,0,0,1|1,1,0]=4 1573 B9R0.6 CCCC(=O)C(C)C(C)C 1458a_100000755409_100000210303 [0,1,0,0,0,1|2,0,0]=4 1574 B9R0.6 CCCC(=O)N(C)C(C)C 11a_200000211004_100000211992 [0,1,0,0,0,1|2,0,0]=4 1575 B9R0.6 CCCC(=O)N(C)C(C)C 1626a_200000211004_100000211992 [0,1,0,0,0,1|2,0,0]=4 1576 B9R0.6 CCCC(=O)N(C)C(C)C 240690a_200000211004_100000211992 [0,1,0,0,0,1|2,0,0]=4 1577 B9R0.6 CCCC(=O)N(C)C(C)C 527a_200000211004_100000211992 [0,1,0,0,0,1|2,0,0]=4 1578 B9R0.6 CCCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000210303 [0,1,0,0,0,1|2,0,0]=4 1579 B9R0.6 CCNC(=O)C(=O)C(C)C 1458a_200011297158_100000210206 [0,1,0,0,0,1|2,0,0]=4 1580 B9R0.6 CCNC(=O)C(C)C(C)C 11a_100015525214_100000755409 [0,1,0,0,0,1|2,0,0]=4 1581 B9R0.6 CCNC(=O)C(C)C(C)C 240690a_100015525214_100000755409 [0,1,0,0,0,1|2,0,0]=4 1582 B9R0.6 CCNC(=O)C(C)C(C)C 527a_100015525214_100000755409 [0,1,0,0,0,1|2,0,0]=4 1583 B9R0.6 CCNC(=O)N(C)C(C)C 2708a_100015525214_200000211004 [0,1,0,0,0,1|2,0,0]=4 1584 B9R0.6 CCNC(=O)N(C)C(C)C 273464a_100015525214_200000211004 [0,1,0,0,0,1|2,0,0]=4 1585 B9R0.6 CCNC(=O)[C@H](O)C(C)C 240690a_100015525214_100000691806 [0,1,0,0,0,1|2,0,0]=4 1586 B9R0.6 CCOC(=O)C(=O)N(C)C 11a_100102631434_100014798877 [0,1,0,0,0,1|2,0,0]=4 1587 B9R0.6 CCOC(=O)C(=O)N(C)C 1626a_100102631434_100014798877 [0,1,0,0,0,1|2,0,0]=4 1588 B9R0.6 CCOC(=O)C(=O)N(C)C 240690a_100102631434_100014798877 [0,1,0,0,0,1|2,0,0]=4 1589 B9R0.6 CCOC(=O)C(C)C(=O)C 1458a_100000070787_100011216346 [0,1,0,0,0,1|0,1,1]=4 1590 B9R0.6 CCOC(=O)C(C)C(=O)C 1458a_100132301724_200000210301 [0,1,0,0,0,1|0,1,1]=4 1591 B9R0.6 CCOC(=O)C(C)C(=O)[13CH3] 1458a_100132301724_200025704644 [0,1,0,0,0,1|0,1,1]=4 1592 B9R0.6 CCOC(=O)C(C)N(C)C 2230a_100102631434_100011215307 [0,1,0,0,0,1|2,0,0]=4 1593 B9R0.6 CCOC(=O)C(C)N(C)C 269982a_100102631434_100011216346 [0,1,0,0,0,1|2,0,0]=4 1594 B9R0.6 CCOC(=O)C(F)C(=O)C 1458a_100000070787_100000760018 [0,1,0,0,0,1|0,1,1]=4 1595 B9R0.6 CCOC(=O)C(F)N(C)C 2230a_100102631434_100000760018 [0,1,0,0,0,1|2,0,0]=4 1596 B9R0.6 CCOC(=O)C(F)N(C)C 269982a_100102631434_100000760018 [0,1,0,0,0,1|2,0,0]=4 1597 B9R0.23 CCC(=O)C(=O)NC(C)C 1458a_100011220036_100000210202 [0,1,0,0,0,1|2,0,0]=4 1598 B9R0.23 CCC(C)C(=O)CC(C)C 1458a_100000210554_100000758301 [0,1,0,0,0,1|2,0,0]=4 1599 B9R0.23 CCC(C)C(=O)CC(C)C 1458a_100011192722_100000210624 [0,1,0,0,0,1|2,0,0]=4 1600 B9R0.23 CCC(C)C(=O)CC(C)O 1458a_100011192722_100011218427 [0,1,0,0,0,1|1,1,0]=4 1601 B9R0.23 CCC(C)C(=O)C[C@@H](C)O 1458a_100011933948_100000758301 [0,1,0,0,0,1|1,1,0]=4 1602 B9R0.23 CCC(C)C(=O)NC(C)C 11a_100138425928_100011192722 [0,1,0,0,0,1|2,0,0]=4 1603 B9R0.23 CCC(C)C(=O)NC(C)C 1626a_100138425928_100011192722 [0,1,0,0,0,1|2,0,0]=4 1604 B9R0.23 CCC(C)C(=O)NC(C)C 240690a_100138425928_100011192722 [0,1,0,0,0,1|2,0,0]=4 1605 B9R0.23 CCC(C)C(=O)NC(C)C 527a_100138425928_100011192722 [0,1,0,0,0,1|2,0,0]=4 1606 B9R0.23 CCC(O)C(=O)CC(C)C 1458a_100011196387_100000210624 [0,1,0,0,0,1|2,0,0]=4 1607 B9R0.23 CCC(O)C(=O)CC(C)O 1458a_100011196387_100011218427 [0,1,0,0,0,1|1,1,0]=4 1608 B9R0.23 CCC(O)C(=O)NC(C)C 240690a_100138425928_100011196387 [0,1,0,0,0,1|2,0,0]=4 1609 B9R0.23 CCN(C)C(=O)CC(C)C 11a_100000225621_100000210554 [0,1,0,0,0,1|2,0,0]=4 1610 B9R0.23 CCN(C)C(=O)CC(C)C 1626a_100000225621_100000210554 [0,1,0,0,0,1|2,0,0]=4 1611 B9R0.23 CCN(C)C(=O)CC(C)C 240690a_100000225621_100000210554 [0,1,0,0,0,1|2,0,0]=4 1612 B9R0.23 CCN(C)C(=O)CC(C)C 527a_100000225621_100000210554 [0,1,0,0,0,1|2,0,0]=4 1613 B9R0.23 CCN(C)C(=O)C[C@@H](C)O 240690a_100000225621_100011933948 [0,1,0,0,0,1|1,1,0]=4 1614 B9R0.23 CCN(C)C(=O)NC(C)C 2708a_100138425928_100000225621 [0,1,0,0,0,1|2,0,0]=4 1615 B9R0.23 CCN(C)C(=O)NC(C)C 273464a_100138425928_100000225621 [0,1,0,0,0,1|2,0,0]=4 1616 B9R0.34 C#CC(C)NC(=O)CCC 11a_100000707721_100000211992 [0,1,0,0,0,1|2,0,0]=4 1617 B9R0.34 C#CC(C)NC(=O)CCC 1626a_100000707721_100000211992 [0,1,0,0,0,1|2,0,0]=4 1618 B9R0.34 C#CC(C)NC(=O)CCC 240690a_100000707721_100000211992 [0,1,0,0,0,1|2,0,0]=4 1619 B9R0.34 C#CC(C)NC(=O)CCC 527a_100000707721_100000211992 [0,1,0,0,0,1|2,0,0]=4 1620 B9R0.34 C#CC(C)NC(=O)NCC 2708a_100000707721_100015525214 [0,1,0,0,0,1|2,0,0]=4 1621 B9R0.34 C#CC(C)NC(=O)NCC 2708a_100015525214_100000707721 [0,1,0,0,0,1|2,0,0]=4 1622 B9R0.34 C#CC(C)NC(=O)NCC 273464a_100000707721_100015525214 [0,1,0,0,0,1|2,0,0]=4 1623 B9R0.34 C#CC(C)NC(=O)NCC 273464a_100015525214_100000707721 [0,1,0,0,0,1|2,0,0]=4 1624 B9R0.34 C#CC(C)NC(=O)NCC 512a_100000707721_100015525214 [0,1,0,0,0,1|2,0,0]=4 1625 B9R0.34 C#CC(C)NC(=O)NCC 512a_100015525214_100000707721 [0,1,0,0,0,1|2,0,0]=4 1626 B9R0.34 C=CC(C)CC(=O)CCC 1458a_100011934298_100000210303 [0,1,0,0,0,1|2,0,0]=4 1627 B9R0.34 C=CC(C)CC(=O)NCC 11a_100015525214_100011934298 [0,1,0,0,0,1|2,0,0]=4 1628 B9R0.34 C=CC(C)CC(=O)NCC 240690a_100015525214_100011934298 [0,1,0,0,0,1|2,0,0]=4 1629 B9R0.34 C=CC(C)CC(=O)NCC 527a_100015525214_100011934298 [0,1,0,0,0,1|2,0,0]=4 1630 B9R0.34 CCCC(=O)CC(C)CC 1458a_100000211992_100000748023 [0,1,0,0,0,1|2,0,0]=4 1631 B9R0.34 CCCC(=O)CC(C)CC 1458a_100000708755_100000210303 [0,1,0,0,0,1|2,0,0]=4 1632 B9R0.34 CCCC(=O)CC(O)CC 1458a_100000211992_100011218378 [0,1,0,0,0,1|1,1,0]=4 1633 B9R0.34 CCCC(=O)CC(O)CC 1458a_100011667805_100000210303 [0,1,0,0,0,1|1,1,0]=4 1634 B9R0.34 CCCC(=O)C[C@@H](C)CC 1458a_100000211992_100009816398 [0,1,0,0,0,1|2,0,0]=4 1635 B9R0.34 CCCC(=O)C[C@@H](C)CO 1458a_100000211992_100000059175 [0,1,0,0,0,1|1,1,0]=4 1636 B9R0.34 CCCC(=O)NC(C)C#N 11a_100000737613_100000211992 [0,1,0,0,0,1|2,0,0]=4 1637 B9R0.34 CCCC(=O)NC(C)C#N 1626a_100000737613_100000211992 [0,1,0,0,0,1|2,0,0]=4 1638 B9R0.34 CCCC(=O)NC(C)C#N 527a_100000737613_100000211992 [0,1,0,0,0,1|2,0,0]=4 1639 B9R0.34 CCCC(=O)NC(C)CC 11a_100000209981_100000211992 [0,1,0,0,0,1|2,0,0]=4 1640 B9R0.34 CCCC(=O)NC(C)CC 1626a_100000209981_100000211992 [0,1,0,0,0,1|2,0,0]=4 1641 B9R0.34 CCCC(=O)NC(C)CC 240690a_100000209981_100000211992 [0,1,0,0,0,1|2,0,0]=4 1642 B9R0.34 CCCC(=O)NC(C)CC 527a_100000209981_100000211992 [0,1,0,0,0,1|2,0,0]=4 1643 B9R0.34 CCCC(=O)N[C@H](C)CF 11a_100102880703_100000211992 [0,1,0,0,0,1|2,0,0]=4 1644 B9R0.34 CCCC(=O)N[C@H](C)CF 1626a_100102880703_100000211992 [0,1,0,0,0,1|2,0,0]=4 1645 B9R0.34 CCCC(=O)N[C@H](C)CF 240690a_100102880703_100000211992 [0,1,0,0,0,1|2,0,0]=4 1646 B9R0.34 CCCC(=O)N[C@H](C)CF 527a_100102880703_100000211992 [0,1,0,0,0,1|2,0,0]=4 1647 B9R0.34 CCCC(=O)N[C@H](C)CO 240690a_100000737577_100000211992 [0,1,0,0,0,1|1,1,0]=4 1648 B9R0.34 CCCC(=O)N[C@H](C)CO 527a_100000737577_100000211992 [0,1,0,0,0,1|1,1,0]=4 1649 B9R0.34 CCNC(=O)CC(C)CC 11a_100015525214_100000708755 [0,1,0,0,0,1|2,0,0]=4 1650 B9R0.34 CCNC(=O)CC(C)CC 240690a_100015525214_100000708755 [0,1,0,0,0,1|2,0,0]=4 1651 B9R0.34 CCNC(=O)CC(C)CC 527a_100015525214_100000708755 [0,1,0,0,0,1|2,0,0]=4 1652 B9R0.34 CCNC(=O)CC(O)CC 240690a_100015525214_100011667805 [0,1,0,0,0,1|1,1,0]=4 1653 B9R0.34 CCNC(=O)NC(C)C#N 2708a_100000737613_100015525214 [0,1,0,0,0,1|2,0,0]=4 1654 B9R0.34 CCNC(=O)NC(C)C#N 2708a_100015525214_100000737613 [0,1,0,0,0,1|2,0,0]=4 1655 B9R0.34 CCNC(=O)NC(C)C#N 273464a_100000737613_100015525214 [0,1,0,0,0,1|2,0,0]=4 1656 B9R0.34 CCNC(=O)NC(C)C#N 273464a_100015525214_100000737613 [0,1,0,0,0,1|2,0,0]=4 1657 B9R0.34 CCNC(=O)NC(C)C#N 512a_100000737613_100015525214 [0,1,0,0,0,1|2,0,0]=4 1658 B9R0.34 CCNC(=O)NC(C)C#N 512a_100015525214_100000737613 [0,1,0,0,0,1|2,0,0]=4 1659 B9R0.34 CCNC(=O)NC(C)CC 2708a_100000209981_100015525214 [0,1,0,0,0,1|2,0,0]=4 1660 B9R0.34 CCNC(=O)NC(C)CC 2708a_100015525214_100000209981 [0,1,0,0,0,1|2,0,0]=4 1661 B9R0.34 CCNC(=O)NC(C)CC 273464a_100000209981_100015525214 [0,1,0,0,0,1|2,0,0]=4 1662 B9R0.34 CCNC(=O)NC(C)CC 273464a_100015525214_100000209981 [0,1,0,0,0,1|2,0,0]=4 1663 B9R0.34 CCNC(=O)NC(C)CC 512a_100000209981_100015525214 [0,1,0,0,0,1|2,0,0]=4 1664 B9R0.34 CCNC(=O)NC(C)CC 512a_100015525214_100000209981 [0,1,0,0,0,1|2,0,0]=4 1665 B9R0.34 CCNC(=O)N[C@H](C)CF 2708a_100015525214_100102880703 [0,1,0,0,0,1|2,0,0]=4 1666 B9R0.34 CCNC(=O)N[C@H](C)CF 273464a_100015525214_100102880703 [0,1,0,0,0,1|2,0,0]=4 1667 B9R0.34 CCNC(=O)N[C@H](C)CF 273464a_100102880703_100015525214 [0,1,0,0,0,1|2,0,0]=4 1668 B9R0.34 CCNC(=O)N[C@H](C)CF 512a_100015525214_100102880703 [0,1,0,0,0,1|2,0,0]=4 1669 B9R0.34 CCNC(=O)N[C@H](C)CF 512a_100102880703_100015525214 [0,1,0,0,0,1|2,0,0]=4 1670 B9R0.34 CCNC(=O)N[C@H](C)CO 2708a_100015525214_100000737577 [0,1,0,0,0,1|1,1,0]=4 1671 B9R0.34 CCNC(=O)N[C@H](C)CO 273464a_100000737577_100015525214 [0,1,0,0,0,1|1,1,0]=4 1672 B9R0.34 CCNC(=O)N[C@H](C)CO 512a_100000737577_100015525214 [0,1,0,0,0,1|1,1,0]=4 1673 B9R0.34 CCNC(=O)N[C@H](C)CO 512a_100015525214_100000737577 [0,1,0,0,0,1|1,1,0]=4 1674 B9R0.34 CCOC(=O)CC(=O)CC 1458a_100000210414_100000188475 [0,1,0,0,0,1|0,1,1]=4 1675 B9R0.34 CCOC(=O)CC(=O)CC 1458a_100000243816_100000210202 [0,1,0,0,0,1|0,1,1]=4 1676 B9R0.34 CCOC(=O)CC(=O)CF 1458a_100000243816_100015361967 [0,1,0,0,0,1|0,1,1]=4 1677 B9R0.34 CCOC(=O)CC(=O)CO 1458a_100000210174_100000188475 [0,1,0,0,0,1|0,1,1]=4 1678 B9R0.34 CCOC(=O)CC(=O)NC 240690a_100102657272_100000243816 [0,1,0,0,0,1|0,1,1]=4 1679 B9R0.34 CCOC(=O)CC(C)NC 2230a_106832991635_100009817359 [0,1,0,0,0,1|1,0,0]=3 1680 B9R0.34 CCOC(=O)CC(C)NC 7a_106832991635_100009817359 [0,1,0,0,0,1|1,0,0]=3 1681 B9R0.34 CCOC(=O)CC(C)SC 62a_100009817359_200000210301 [0,1,0,0,0,1|0,0,0]=2 1682 B9R0.34 CCOC(=O)CC(C)SC 62a_200000210301_100009817359 [0,1,0,0,0,1|0,0,0]=2 1683 B9R0.34 CCOC(=O)CC(C)S[13CH3] 62a_100009817359_200025704644 [0,1,0,0,0,1|0,0,0]=2 1684 B9R0.34 CCOC(=O)CC(C)S[13CH3] 62a_200025704644_100009817359 [0,1,0,0,0,1|0,0,0]=2 1685 B9R0.34 CCOC(=O)CN(C)CC 2230a_100000220588_100000210202 [0,1,0,0,0,1|2,0,0]=4 1686 B9R0.34 CCOC(=O)CN(C)CC 2230a_100000220607_200000210301 [0,1,0,0,0,1|2,0,0]=4 1687 B9R0.34 CCOC(=O)CN(C)CC 2230a_100000225621_100000188475 [0,1,0,0,0,1|2,0,0]=4 1688 B9R0.34 CCOC(=O)CN(C)CC 269982a_100000220607_200000210301 [0,1,0,0,0,1|2,0,0]=4 1689 B9R0.34 CCOC(=O)CN(C)CC 269982a_100000225621_100000188475 [0,1,0,0,0,1|2,0,0]=4 1690 B9R0.34 CCOC(=O)CN([13CH3])CC 2230a_100000220607_200025704644 [0,1,0,0,0,1|2,0,0]=4 1691 B9R0.34 CCOC(=O)CN([13CH3])CC 269982a_100000220607_200025704644 [0,1,0,0,0,1|2,0,0]=4 1692 B9R0.34 CCOC(=O)C[C@@H](C)OC 7a_100009816390_200000210301 [0,1,0,0,0,1|0,1,0]=3 1693 B9R0.34 CCOC(=O)C[C@@H](C)O[13CH3] 7a_100009816390_200025704644 [0,1,0,0,0,1|0,1,0]=3 1694 B9R0.34 CCOC(=O)OC(C)SC 62a_100000036008_200000210301 [0,1,0,0,0,1|0,0,0]=2 1695 B9R0.34 CCOC(=O)OC(C)SC 62a_200000210301_100000036008 [0,1,0,0,0,1|0,0,0]=2 1696 B9R0.34 CCOC(=O)OC(C)S[13CH3] 62a_100000036008_200025704644 [0,1,0,0,0,1|0,0,0]=2 1697 B9R0.34 CCOC(=O)OC(C)S[13CH3] 62a_200025704644_100000036008 [0,1,0,0,0,1|0,0,0]=2 1698 B9R0.44 CCCC(=O)CC(C)(C)C 1458a_100000211214_100000210303 [0,1,0,0,0,1|2,0,0]=4 1699 B9R0.44 CCCC(=O)CC(C)(C)O 1458a_100000693243_100000210303 [0,1,0,0,0,1|1,1,0]=4 1700 B9R0.44 CCCC(=O)NC(C)(C)C 11a_100000715429_100000211992 [0,1,0,0,0,1|2,0,0]=4 1701 B9R0.44 CCCC(=O)NC(C)(C)C 1626a_100000715429_100000211992 [0,1,0,0,0,1|2,0,0]=4 1702 B9R0.44 CCCC(=O)NC(C)(C)C 240690a_100000715429_100000211992 [0,1,0,0,0,1|2,0,0]=4 1703 B9R0.44 CCCC(=O)NC(C)(C)C 527a_100000715429_100000211992 [0,1,0,0,0,1|2,0,0]=4 1704 B9R0.44 CCNC(=O)CC(C)(C)C 11a_100015525214_100000211214 [0,1,0,0,0,1|2,0,0]=4 1705 B9R0.44 CCNC(=O)CC(C)(C)C 240690a_100015525214_100000211214 [0,1,0,0,0,1|2,0,0]=4 1706 B9R0.44 CCNC(=O)CC(C)(C)C 527a_100015525214_100000211214 [0,1,0,0,0,1|2,0,0]=4 1707 B9R0.44 CCNC(=O)CC(C)(C)O 527a_100015525214_100000693243 [0,1,0,0,0,1|1,1,0]=4 1708 B9R0.44 CCNC(=O)NC(C)(C)C 2708a_100015525214_100000715429 [0,1,0,0,0,1|2,0,0]=4 1709 B9R0.44 CCNC(=O)NC(C)(C)C 273464a_100000715429_100015525214 [0,1,0,0,0,1|2,0,0]=4 1710 B9R0.44 CCNC(=O)NC(C)(C)C 273464a_100015525214_100000715429 [0,1,0,0,0,1|2,0,0]=4 1711 B9R0.44 CCNC(=O)NC(C)(C)C 512a_100000715429_100015525214 [0,1,0,0,0,1|2,0,0]=4 1712 B9R0.53 CC(=O)CC(=O)OC(C)C 1458a_100000070787_100011215430 [0,1,0,0,0,1|0,1,1]=4 1713 B9R0.53 CC(C)CC(=O)CC(C)C 1458a_100000210554_100000210624 [0,1,0,0,0,1|2,0,0]=4 1714 B9R0.53 CC(C)CC(=O)CC(C)O 1458a_100000210554_100011218427 [0,1,0,0,0,1|1,1,0]=4 1715 B9R0.53 CC(C)CC(=O)C[C@@H](C)O 1458a_100011933948_100000210624 [0,1,0,0,0,1|1,1,0]=4 1716 B9R0.53 CC(C)CC(=O)NC(C)C 11a_100138425928_100000210554 [0,1,0,0,0,1|2,0,0]=4 1717 B9R0.53 CC(C)CC(=O)NC(C)C 1626a_100138425928_100000210554 [0,1,0,0,0,1|2,0,0]=4 1718 B9R0.53 CC(C)CC(=O)NC(C)C 240690a_100138425928_100000210554 [0,1,0,0,0,1|2,0,0]=4 1719 B9R0.53 CC(C)CC(=O)NC(C)C 527a_100138425928_100000210554 [0,1,0,0,0,1|2,0,0]=4 1720 B9R0.53 CC(C)NC(=O)C[C@@H](C)O 240690a_100138425928_100011933948 [0,1,0,0,0,1|1,1,0]=4 1721 B9R0.53 CC(C)NC(=O)NC(C)C 2708a_100138425928_100138425928 [0,1,0,0,0,1|2,0,0]=4 1722 B9R0.53 CC(C)NC(=O)NC(C)C 512a_100138425928_100138425928 [0,1,0,0,0,1|2,0,0]=4 1723 B9R0.53 CC(C)OC(=O)CN(C)C 2230a_100102631434_100011215430 [0,1,0,0,0,1|2,0,0]=4 1724 B9R0.53 CC(C)OC(=O)CN(C)C 269982a_100102631434_100011215430 [0,1,0,0,0,1|2,0,0]=4 1725 B9R0.53 CC(O)CC(=O)C[C@@H](C)O 1458a_100011933948_100011218427 [0,1,0,0,0,1|1,1,0]=4 1726 B9R0.25 CCC(C)C(=O)C(C)(C)C 1458a_106744555173_100000758301 [0,2,0,0,0,0|2,0,0]=4 1727 B9R0.25 CCC(C)C(=O)C(C)(C)F 1458a_100000765255_100000758301 [0,2,0,0,0,0|2,0,0]=4 1728 B9R0.25 CCC(C)C(=O)C(C)(C)O 1458a_100000242741_100000758301 [0,2,0,0,0,0|1,1,0]=4 1729 B9R0.25 CCN(C)C(=O)C(C)(C)C 11a_100000225621_106744555173 [0,2,0,0,0,0|2,0,0]=4 1730 B9R0.25 CCN(C)C(=O)C(C)(C)C 1626a_100000225621_106744555173 [0,2,0,0,0,0|2,0,0]=4 1731 B9R0.25 CCN(C)C(=O)C(C)(C)C 240690a_100000225621_106744555173 [0,2,0,0,0,0|2,0,0]=4 1732 B9R0.25 CCN(C)C(=O)C(C)(C)C 527a_100000225621_106744555173 [0,2,0,0,0,0|2,0,0]=4 1733 B9R0.25 CCN(C)C(=O)C(C)(C)F 11a_100000225621_100000765255 [0,2,0,0,0,0|2,0,0]=4 1734 B9R0.25 CCN(C)C(=O)C(C)(C)F 1626a_100000225621_100000765255 [0,2,0,0,0,0|2,0,0]=4 1735 B9R0.25 CCN(C)C(=O)C(C)(C)F 240690a_100000225621_100000765255 [0,2,0,0,0,0|2,0,0]=4 1736 B9R0.25 CCN(C)C(=O)C(C)(C)F 527a_100000225621_100000765255 [0,2,0,0,0,0|2,0,0]=4 1737 B9R0.25 CCN(C)C(=O)C(C)(C)O 240690a_100000225621_100000242741 [0,2,0,0,0,0|1,1,0]=4 1738 B9R0.25 CCN(C)C(=O)C(C)(F)F 11a_100000225621_100000042251 [0,2,0,0,0,0|2,0,0]=4 1739 B9R0.25 CCN(C)C(=O)C(C)(F)F 1626a_100000225621_100000042251 [0,2,0,0,0,0|2,0,0]=4 1740 B9R0.25 CCN(C)C(=O)C(C)(F)F 240690a_100000225621_100000042251 [0,2,0,0,0,0|2,0,0]=4 1741 B9R0.25 CCN(C)C(=O)C(C)(F)F 527a_100000225621_100000042251 [0,2,0,0,0,0|2,0,0]=4 1742 B9R0.27 C#CC(C)C(=O)C(C)CC 1458a_100011192722_200000035995 [0,2,0,0,0,0|2,0,0]=4 1743 B9R0.27 C#CC(C)C(=O)C(O)CC 1458a_100011196387_200000035995 [0,2,0,0,0,0|2,0,0]=4 1744 B9R0.27 C=CC(C)C(=O)C(C)CC 1458a_100011216780_100000758301 [0,2,0,0,0,0|2,0,0]=4 1745 B9R0.27 C=CC(C)C(=O)N(C)CC 11a_100000225621_100011216780 [0,2,0,0,0,0|2,0,0]=4 1746 B9R0.27 C=CC(C)C(=O)N(C)CC 1626a_100000225621_100011216780 [0,2,0,0,0,0|2,0,0]=4 1747 B9R0.27 C=CC(C)C(=O)N(C)CC 240690a_100000225621_100011216780 [0,2,0,0,0,0|2,0,0]=4 1748 B9R0.27 C=CC(C)C(=O)N(C)CC 527a_100000225621_100011216780 [0,2,0,0,0,0|2,0,0]=4 1749 B9R0.27 CCC(C)C(=O)C(C)C#N 1458a_100000753662_100000758301 [0,2,0,0,0,0|2,0,0]=4 1750 B9R0.27 CCC(C)C(=O)C(C)C#N 1458a_100011192722_100000703298 [0,2,0,0,0,0|2,0,0]=4 1751 B9R0.27 CCC(C)C(=O)C(C)CC 1458a_100011192722_100000758301 [0,2,0,0,0,0|2,0,0]=4 1752 B9R0.27 CCC(C)C(=O)C(C)OC 1458a_100000743197_100000758301 [0,2,0,0,0,0|1,1,0]=4 1753 B9R0.27 CCC(C)C(=O)C(C)SC 1458a_100000149566_100000758301 [0,2,0,0,0,0|1,0,0]=3 1754 B9R0.27 CCC(C)C(=O)C(O)CC 1458a_100011196387_100000758301 [0,2,0,0,0,0|1,1,0]=4 1755 B9R0.27 CCC(C)C(=O)C(O)CO 1458a_100011215603_100000758301 [0,2,0,0,0,0|1,1,0]=4 1756 B9R0.27 CCC(C)C(=O)N(C)CC 11a_100000225621_100011192722 [0,2,0,0,0,0|2,0,0]=4 1757 B9R0.27 CCC(C)C(=O)N(C)CC 1626a_100000225621_100011192722 [0,2,0,0,0,0|2,0,0]=4 1758 B9R0.27 CCC(C)C(=O)N(C)CC 240690a_100000225621_100011192722 [0,2,0,0,0,0|2,0,0]=4 1759 B9R0.27 CCC(C)C(=O)N(C)CC 527a_100000225621_100011192722 [0,2,0,0,0,0|2,0,0]=4 1760 B9R0.27 CCC(O)C(=O)C(C)C#N 1458a_100011196387_100000703298 [0,2,0,0,0,0|2,0,0]=4 1761 B9R0.27 CCC(O)C(=O)N(C)CC 240690a_100000225621_100011196387 [0,2,0,0,0,0|1,1,0]=4 1762 B9R0.27 CCN(C)C(=O)C(C)C#N 11a_100000225621_100000753662 [0,2,0,0,0,0|2,0,0]=4 1763 B9R0.27 CCN(C)C(=O)C(C)C#N 1626a_100000225621_100000753662 [0,2,0,0,0,0|2,0,0]=4 1764 B9R0.27 CCN(C)C(=O)C(C)C#N 240690a_100000225621_100000753662 [0,2,0,0,0,0|2,0,0]=4 1765 B9R0.27 CCN(C)C(=O)C(C)C#N 527a_100000225621_100000753662 [0,2,0,0,0,0|2,0,0]=4 1766 B9R0.27 CCN(C)C(=O)C(C)NC 2230a_106832991635_200012002205 [0,2,0,0,0,0|2,0,0]=4 1767 B9R0.27 CCN(C)C(=O)C(C)NC 34a_100102657272_200012002205 [0,2,0,0,0,0|2,0,0]=4 1768 B9R0.27 CCN(C)C(=O)C(C)NC 7a_106832991635_200012002205 [0,2,0,0,0,0|2,0,0]=4 1769 B9R0.27 CCN(C)C(=O)C(C)OC 11a_100000225621_100000743197 [0,2,0,0,0,0|1,1,0]=4 1770 B9R0.27 CCN(C)C(=O)C(C)OC 1626a_100000225621_100000743197 [0,2,0,0,0,0|1,1,0]=4 1771 B9R0.27 CCN(C)C(=O)C(C)OC 240690a_100000225621_100000743197 [0,2,0,0,0,0|1,1,0]=4 1772 B9R0.27 CCN(C)C(=O)C(C)OC 34a_100138415774_200012002205 [0,2,0,0,0,0|1,1,0]=4 1773 B9R0.27 CCN(C)C(=O)C(C)OC 527a_100000225621_100000743197 [0,2,0,0,0,0|1,1,0]=4 1774 B9R0.27 CCN(C)C(=O)C(C)SC 11a_100000225621_100000149566 [0,2,0,0,0,0|1,0,0]=3 1775 B9R0.27 CCN(C)C(=O)C(C)SC 1626a_100000225621_100000149566 [0,2,0,0,0,0|1,0,0]=3 1776 B9R0.27 CCN(C)C(=O)C(C)SC 240690a_100000225621_100000149566 [0,2,0,0,0,0|1,0,0]=3 1777 B9R0.27 CCN(C)C(=O)C(C)SC 527a_100000225621_100000149566 [0,2,0,0,0,0|1,0,0]=3 1778 B9R0.27 CCN(C)C(=O)C(C)SC 62a_200000210301_200012002205 [0,2,0,0,0,0|1,0,0]=3 1779 B9R0.27 CCN(C)C(=O)C(C)SC 62a_200012002205_200000210301 [0,2,0,0,0,0|1,0,0]=3 1780 B9R0.27 CCN(C)C(=O)C(C)S[13CH3] 62a_200012002205_200025704644 [0,2,0,0,0,0|1,0,0]=3 1781 B9R0.27 CCN(C)C(=O)C(C)S[13CH3] 62a_200025704644_200012002205 [0,2,0,0,0,0|1,0,0]=3 1782 B9R0.27 CCN(C)C(=O)C(O)CO 240690a_100000225621_100011215603 [0,2,0,0,0,0|1,1,0]=4 1783 B9R0.27 COC(=O)C(=O)C(C)SC 62a_100000692041_200000210301 [0,2,0,0,0,0|2,0,0]=4 1784 B9R0.27 COC(=O)C(=O)C(C)SC 62a_200000210301_100000692041 [0,2,0,0,0,0|2,0,0]=4 1785 B9R0.27 COC(=O)C(=O)C(C)S[13CH3] 62a_100000692041_200025704644 [0,2,0,0,0,0|2,0,0]=4 1786 B9R0.27 COC(=O)C(=O)C(C)S[13CH3] 62a_200025704644_100000692041 [0,2,0,0,0,0|2,0,0]=4 1787 B9R0.32 CCC(C)(C)C(=O)C(C)C 1458a_100000749717_100000210206 [0,2,0,0,0,0|2,0,0]=4 1788 B9R0.32 CCC(C)(O)C(=O)C(C)C 1458a_100011219770_100000210206 [0,2,0,0,0,0|2,0,0]=4 1789 B9R0.32 CCC(F)(F)C(=O)C(C)C 1458a_100000061896_100000210206 [0,2,0,0,0,0|2,0,0]=4 1790 B9R0.41 CCC(CC)C(=O)C(C)C 1458a_100000210198_100000210505 [0,2,0,0,0,0|2,0,0]=4 1791 B9R0.41 CCC(CC)C(=O)C(C)C 1458a_100000211163_100000210206 [0,2,0,0,0,0|2,0,0]=4 1792 B9R0.41 CCC(CC)C(=O)C(C)F 1458a_100000062450_100000210505 [0,2,0,0,0,0|2,0,0]=4 1793 B9R0.41 CCC(CC)C(=O)[C@@H](C)O 1458a_100000717761_100000210505 [0,2,0,0,0,0|1,1,0]=4 1794 B9R0.41 CCC(CC)C(=O)[C@H](C)O 1458a_217856618621_100000210505 [0,2,0,0,0,0|1,1,0]=4 1795 B9R0.41 CCC(OC)C(=O)C(C)C 1458a_100000747056_100000210206 [0,2,0,0,0,0|2,0,0]=4 1796 B9R0.41 CCN(CC)C(=O)C(C)C 11a_100000724800_100000210198 [0,2,0,0,0,0|2,0,0]=4 1797 B9R0.41 CCN(CC)C(=O)C(C)C 1626a_100000724800_100000210198 [0,2,0,0,0,0|2,0,0]=4 1798 B9R0.41 CCN(CC)C(=O)C(C)C 240690a_100000724800_100000210198 [0,2,0,0,0,0|2,0,0]=4 1799 B9R0.41 CCN(CC)C(=O)C(C)C 527a_100000724800_100000210198 [0,2,0,0,0,0|2,0,0]=4 1800 B9R0.41 CCN(CC)C(=O)C(C)F 11a_100000724800_100000062450 [0,2,0,0,0,0|2,0,0]=4 1801 B9R0.41 CCN(CC)C(=O)C(C)F 1626a_100000724800_100000062450 [0,2,0,0,0,0|2,0,0]=4 1802 B9R0.41 CCN(CC)C(=O)C(C)F 240690a_100000724800_100000062450 [0,2,0,0,0,0|2,0,0]=4 1803 B9R0.41 CCN(CC)C(=O)C(C)F 527a_100000724800_100000062450 [0,2,0,0,0,0|2,0,0]=4 1804 B9R0.41 CCN(CC)C(=O)[C@@H](C)O 240690a_100000724800_100000717761 [0,2,0,0,0,0|1,1,0]=4 1805 B9R0.41 CCN(CC)C(=O)[C@H](C)O 1626a_100000724800_217856618621 [0,2,0,0,0,0|1,1,0]=4 1806 B9R0.41 CCN(CC)C(=O)[C@H](C)O 240690a_100000724800_217856618621 [0,2,0,0,0,0|1,1,0]=4 1807 B9R0.79 CC(C)C(=O)C(C)C(C)C 1458a_100000755409_100000210206 [0,2,0,0,0,0|2,0,0]=4 1808 B9R0.79 CC(C)C(=O)N(C)C(C)C 11a_200000211004_100000210198 [0,2,0,0,0,0|2,0,0]=4 1809 B9R0.79 CC(C)C(=O)N(C)C(C)C 1626a_200000211004_100000210198 [0,2,0,0,0,0|2,0,0]=4 1810 B9R0.79 CC(C)C(=O)N(C)C(C)C 240690a_200000211004_100000210198 [0,2,0,0,0,0|2,0,0]=4 1811 B9R0.79 CC(C)C(=O)N(C)C(C)C 527a_200000211004_100000210198 [0,2,0,0,0,0|2,0,0]=4 1812 B9R0.79 CC(C)C(=O)[C@H](O)C(C)C 1458a_100000691806_100000210206 [0,2,0,0,0,0|2,0,0]=4 1813 B9R0.79 CC(C)N(C)C(=O)[C@@H](C)O 240690a_200000211004_100000717761 [0,2,0,0,0,0|1,1,0]=4 1814 B9R0.79 CC(C)N(C)C(=O)[C@H](C)O 1626a_200000211004_217856618621 [0,2,0,0,0,0|1,1,0]=4 1815 B9R0.79 CC(C)N(C)C(=O)[C@H](C)O 240690a_200000211004_217856618621 [0,2,0,0,0,0|1,1,0]=4 1816 B9R0.79 CC(F)C(=O)N(C)C(C)C 11a_200000211004_100000062450 [0,2,0,0,0,0|2,0,0]=4 1817 B9R0.79 CC(F)C(=O)N(C)C(C)C 1626a_200000211004_100000062450 [0,2,0,0,0,0|2,0,0]=4 1818 B9R0.79 CC(F)C(=O)N(C)C(C)C 240690a_200000211004_100000062450 [0,2,0,0,0,0|2,0,0]=4 1819 B9R0.79 CC(F)C(=O)N(C)C(C)C 527a_200000211004_100000062450 [0,2,0,0,0,0|2,0,0]=4 1820 B9R0.8 C#CC(C)C(=O)C#CCC 1458a_100011827653_200000035995 [0,2,0,0,0,0|2,0,0]=4 1821 B9R0.8 C#CC(C)C(=O)C=CCC 1458a_100000212282_200000035995 [0,2,0,0,0,0|2,0,0]=4 1822 B9R0.8 C#CC(C)C(=O)CCCC 1458a_100000210183_200000035995 [0,2,0,0,0,0|2,0,0]=4 1823 B9R0.8 C#CC(C)C(=O)CCOC 1458a_100000749529_200000035995 [0,2,0,0,0,0|2,0,0]=4 1824 B9R0.8 C#CC(C)C(=O)CCSC 1458a_100000174002_200000035995 [0,2,0,0,0,0|2,0,0]=4 1825 B9R0.8 C#CC(C)C(=O)COCC 1458a_100000211967_200000035995 [0,2,0,0,0,0|1,0,0]=3 1826 B9R0.8 C#CC(C)C(=O)CSCC 1458a_100000230394_200000035995 [0,2,0,0,0,0|1,1,0]=4 1827 B9R0.8 C#CCCC(=O)C(C)SC 1458a_100000149566_100000753159 [0,2,0,0,0,0|1,0,1]=4 1828 B9R0.8 C#CCNC(=O)C(C)SC 11a_100000212058_100000149566 [0,2,0,0,0,0|1,0,1]=4 1829 B9R0.8 C#CCNC(=O)C(C)SC 1626a_100000212058_100000149566 [0,2,0,0,0,0|1,0,1]=4 1830 B9R0.8 C#CCNC(=O)C(C)SC 240690a_100000212058_100000149566 [0,2,0,0,0,0|1,0,1]=4 1831 B9R0.8 C#CCNC(=O)C(C)SC 527a_100000212058_100000149566 [0,2,0,0,0,0|1,0,1]=4 1832 B9R0.8 C#CCNC(=O)C(C)SC 62a_100000735948_200000210301 [0,2,0,0,0,0|1,0,1]=4 1833 B9R0.8 C#CCNC(=O)C(C)SC 62a_200000210301_100000735948 [0,2,0,0,0,0|1,0,1]=4 1834 B9R0.8 C#CCNC(=O)C(C)S[13CH3] 62a_100000735948_200025704644 [0,2,0,0,0,0|1,0,1]=4 1835 B9R0.8 C#CCNC(=O)C(C)S[13CH3] 62a_200025704644_100000735948 [0,2,0,0,0,0|1,0,1]=4 1836 B9R0.8 C/C=C/CC(=O)C(C)SC 1458a_100000149566_100102629194 [0,2,0,0,0,0|1,0,1]=4 1837 B9R0.8 C=CC(C)C(=O)CCCC 1458a_100011216780_100000210211 [0,2,0,0,0,0|2,0,0]=4 1838 B9R0.8 C=CC(C)C(=O)CCCF 1458a_100011216780_100011934791 [0,2,0,0,0,0|2,0,0]=4 1839 B9R0.8 C=CC(C)C(=O)CCCO 1458a_100011216780_100011215043 [0,2,0,0,0,0|2,0,0]=4 1840 B9R0.8 C=CC(C)C(=O)CCOC 1458a_100011216780_100000233755 [0,2,0,0,0,0|2,0,0]=4 1841 B9R0.8 C=CC(C)C(=O)CCSC 1458a_100011216780_100000751147 [0,2,0,0,0,0|2,0,0]=4 1842 B9R0.8 C=CC(C)C(=O)NCCC 11a_100020643023_100011216780 [0,2,0,0,0,0|2,0,0]=4 1843 B9R0.8 C=CC(C)C(=O)NCCC 1626a_100020643023_100011216780 [0,2,0,0,0,0|2,0,0]=4 1844 B9R0.8 C=CC(C)C(=O)NCCC 240690a_100020643023_100011216780 [0,2,0,0,0,0|2,0,0]=4 1845 B9R0.8 C=CC(C)C(=O)NCCC 527a_100020643023_100011216780 [0,2,0,0,0,0|2,0,0]=4 1846 B9R0.8 C=CC(C)C(=O)NCCF 11a_100000724931_100011216780 [0,2,0,0,0,0|2,0,0]=4 1847 B9R0.8 C=CC(C)C(=O)NCCF 1626a_100000724931_100011216780 [0,2,0,0,0,0|2,0,0]=4 1848 B9R0.8 C=CC(C)C(=O)NCCF 240690a_100000724931_100011216780 [0,2,0,0,0,0|2,0,0]=4 1849 B9R0.8 C=CC(C)C(=O)NCCF 527a_100000724931_100011216780 [0,2,0,0,0,0|2,0,0]=4 1850 B9R0.8 C=CC(C)C(=O)NCCO 240690a_100000210304_100011216780 [0,2,0,0,0,0|2,0,0]=4 1851 B9R0.8 C=CC(C)C(=O)NCCO 527a_100000210304_100011216780 [0,2,0,0,0,0|2,0,0]=4 1852 B9R0.8 C=CC(C)C(=O)NNCC 22a_100000756455_100011216780 [0,2,0,0,0,0|2,0,0]=4 1853 B9R0.8 C=CCCC(=O)C(C)SC 1458a_100000149566_100000754431 [0,2,0,0,0,0|1,0,1]=4 1854 B9R0.8 C=CCNC(=O)C(C)SC 1626a_100020586998_100000149566 [0,2,0,0,0,0|1,0,1]=4 1855 B9R0.8 C=CCNC(=O)C(C)SC 240690a_100020586998_100000149566 [0,2,0,0,0,0|1,0,1]=4 1856 B9R0.8 C=CCNC(=O)C(C)SC 527a_100020586998_100000149566 [0,2,0,0,0,0|1,0,1]=4 1857 B9R0.8 C=CCNC(=O)C(C)SC 62a_100000230288_200000210301 [0,2,0,0,0,0|1,0,1]=4 1858 B9R0.8 C=CCNC(=O)C(C)SC 62a_200000210301_100000230288 [0,2,0,0,0,0|1,0,1]=4 1859 B9R0.8 C=CCNC(=O)C(C)S[13CH3] 62a_100000230288_200025704644 [0,2,0,0,0,0|1,0,1]=4 1860 B9R0.8 C=CCNC(=O)C(C)S[13CH3] 62a_200025704644_100000230288 [0,2,0,0,0,0|1,0,1]=4 1861 B9R0.8 CC#CCC(=O)C(C)SC 1458a_100000149566_100000748600 [0,2,0,0,0,0|1,0,1]=4 1862 B9R0.8 CC(C#N)C(=O)CCCF 1458a_100000753662_100011934791 [0,2,0,0,0,0|2,0,0]=4 1863 B9R0.8 CC(C#N)C(=O)CCCO 1458a_100000753662_100011215043 [0,2,0,0,0,0|2,0,0]=4 1864 B9R0.8 CC(C#N)C(=O)NCCF 11a_100000724931_100000753662 [0,2,0,0,0,0|2,0,0]=4 1865 B9R0.8 CC(C#N)C(=O)NCCF 1626a_100000724931_100000753662 [0,2,0,0,0,0|2,0,0]=4 1866 B9R0.8 CC(C#N)C(=O)NCCF 240690a_100000724931_100000753662 [0,2,0,0,0,0|2,0,0]=4 1867 B9R0.8 CC(C#N)C(=O)NCCF 527a_100000724931_100000753662 [0,2,0,0,0,0|2,0,0]=4 1868 B9R0.8 CC(C#N)C(=O)NCCO 240690a_100000210304_100000753662 [0,2,0,0,0,0|2,0,0]=4 1869 B9R0.8 CC(C#N)C(=O)NCCO 527a_100000210304_100000753662 [0,2,0,0,0,0|2,0,0]=4 1870 B9R0.8 CC=CCC(=O)C(C)SC 1458a_100000149566_100000070051 [0,2,0,0,0,0|1,0,1]=4 1871 B9R0.8 CCC#CC(=O)C(C)C#N 1458a_100011827653_100000703298 [0,2,0,0,0,0|2,0,0]=4 1872 B9R0.8 CCC#CC(=O)C(C)CC 1458a_100011827653_100000758301 [0,2,0,0,0,0|2,0,0]=4 1873 B9R0.8 CCC(C)C(=O)CCCF 1458a_100011192722_100011934791 [0,2,0,0,0,0|2,0,0]=4 1874 B9R0.8 CCC(C)C(=O)CCCO 1458a_100011192722_100011215043 [0,2,0,0,0,0|2,0,0]=4 1875 B9R0.8 CCC(C)C(=O)CCOC 1458a_100000749529_100000758301 [0,2,0,0,0,0|2,0,0]=4 1876 B9R0.8 CCC(C)C(=O)CCOC 1458a_100011192722_100000233755 [0,2,0,0,0,0|2,0,0]=4 1877 B9R0.8 CCC(C)C(=O)CCSC 1458a_100000174002_100000758301 [0,2,0,0,0,0|2,0,0]=4 1878 B9R0.8 CCC(C)C(=O)CCSC 1458a_100011192722_100000751147 [0,2,0,0,0,0|2,0,0]=4 1879 B9R0.8 CCC(C)C(=O)NCCF 11a_100000724931_100011192722 [0,2,0,0,0,0|2,0,0]=4 1880 B9R0.8 CCC(C)C(=O)NCCF 1626a_100000724931_100011192722 [0,2,0,0,0,0|2,0,0]=4 1881 B9R0.8 CCC(C)C(=O)NCCF 240690a_100000724931_100011192722 [0,2,0,0,0,0|2,0,0]=4 1882 B9R0.8 CCC(C)C(=O)NCCF 527a_100000724931_100011192722 [0,2,0,0,0,0|2,0,0]=4 1883 B9R0.8 CCC(C)C(=O)NCCO 240690a_100000210304_100011192722 [0,2,0,0,0,0|2,0,0]=4 1884 B9R0.8 CCC(C)C(=O)NCCO 527a_100000210304_100011192722 [0,2,0,0,0,0|2,0,0]=4 1885 B9R0.8 CCC(O)C(=O)CCCF 1458a_100011196387_100011934791 [0,2,0,0,0,0|1,1,0]=4 1886 B9R0.8 CCC(O)C(=O)CCCO 1458a_100011196387_100011215043 [0,2,0,0,0,0|1,1,0]=4 1887 B9R0.8 CCC(O)C(=O)CCOC 1458a_100011196387_100000233755 [0,2,0,0,0,0|1,1,0]=4 1888 B9R0.8 CCC(O)C(=O)CCSC 1458a_100011196387_100000751147 [0,2,0,0,0,0|1,1,0]=4 1889 B9R0.8 CCC(O)C(=O)NCCF 240690a_100000724931_100011196387 [0,2,0,0,0,0|1,1,0]=4 1890 B9R0.8 CCC(O)C(=O)NCCO 240690a_100000210304_100011196387 [0,2,0,0,0,0|1,1,0]=4 1891 B9R0.8 CCC=CC(=O)C(C)C#N 1458a_100000212282_100000703298 [0,2,0,0,0,0|2,0,0]=4 1892 B9R0.8 CCC=CC(=O)C(C)CC 1458a_100000212282_100000758301 [0,2,0,0,0,0|2,0,0]=4 1893 B9R0.8 CCCCC(=O)C(C)C#N 1458a_100000210183_100000703298 [0,2,0,0,0,0|2,0,0]=4 1894 B9R0.8 CCCCC(=O)C(C)C#N 1458a_100000753662_100000210211 [0,2,0,0,0,0|2,0,0]=4 1895 B9R0.8 CCCCC(=O)C(C)CC 1458a_100000210183_100000758301 [0,2,0,0,0,0|2,0,0]=4 1896 B9R0.8 CCCCC(=O)C(C)CC 1458a_100011192722_100000210211 [0,2,0,0,0,0|2,0,0]=4 1897 B9R0.8 CCCCC(=O)C(C)OC 1458a_100000743197_100000210211 [0,2,0,0,0,0|1,1,0]=4 1898 B9R0.8 CCCCC(=O)C(C)SC 1458a_100000149566_100000210211 [0,2,0,0,0,0|1,0,0]=3 1899 B9R0.8 CCCCC(=O)C(O)CC 1458a_100011196387_100000210211 [0,2,0,0,0,0|1,1,0]=4 1900 B9R0.8 CCCCC(=O)C(O)CO 1458a_100011215603_100000210211 [0,2,0,0,0,0|1,1,0]=4 1901 B9R0.8 CCCNC(=O)C(C)C#N 11a_100020643023_100000753662 [0,2,0,0,0,0|2,0,0]=4 1902 B9R0.8 CCCNC(=O)C(C)C#N 1626a_100020643023_100000753662 [0,2,0,0,0,0|2,0,0]=4 1903 B9R0.8 CCCNC(=O)C(C)C#N 240690a_100020643023_100000753662 [0,2,0,0,0,0|2,0,0]=4 1904 B9R0.8 CCCNC(=O)C(C)C#N 527a_100020643023_100000753662 [0,2,0,0,0,0|2,0,0]=4 1905 B9R0.8 CCCNC(=O)C(C)CC 11a_100020643023_100011192722 [0,2,0,0,0,0|2,0,0]=4 1906 B9R0.8 CCCNC(=O)C(C)CC 1626a_100020643023_100011192722 [0,2,0,0,0,0|2,0,0]=4 1907 B9R0.8 CCCNC(=O)C(C)CC 240690a_100020643023_100011192722 [0,2,0,0,0,0|2,0,0]=4 1908 B9R0.8 CCCNC(=O)C(C)CC 527a_100020643023_100011192722 [0,2,0,0,0,0|2,0,0]=4 1909 B9R0.8 CCCNC(=O)C(C)NC 2230a_100025744714_200000210301 [0,2,0,0,0,0|2,0,0]=4 1910 B9R0.8 CCCNC(=O)C(C)NC 2230a_106832991635_100000230305 [0,2,0,0,0,0|2,0,0]=4 1911 B9R0.8 CCCNC(=O)C(C)NC 34a_100025744714_200000210301 [0,2,0,0,0,0|2,0,0]=4 1912 B9R0.8 CCCNC(=O)C(C)NC 34a_100102657272_100000230305 [0,2,0,0,0,0|2,0,0]=4 1913 B9R0.8 CCCNC(=O)C(C)NC 7a_106832991635_100000230305 [0,2,0,0,0,0|2,0,0]=4 1914 B9R0.8 CCCNC(=O)C(C)N[13CH3] 2230a_100025744714_200025704644 [0,2,0,0,0,0|2,0,0]=4 1915 B9R0.8 CCCNC(=O)C(C)N[13CH3] 34a_100025744714_200025704644 [0,2,0,0,0,0|2,0,0]=4 1916 B9R0.8 CCCNC(=O)C(C)OC 11a_100020643023_100000743197 [0,2,0,0,0,0|1,1,0]=4 1917 B9R0.8 CCCNC(=O)C(C)OC 1626a_100020643023_100000743197 [0,2,0,0,0,0|1,1,0]=4 1918 B9R0.8 CCCNC(=O)C(C)OC 240690a_100020643023_100000743197 [0,2,0,0,0,0|1,1,0]=4 1919 B9R0.8 CCCNC(=O)C(C)OC 34a_100138415774_100000230305 [0,2,0,0,0,0|1,1,0]=4 1920 B9R0.8 CCCNC(=O)C(C)OC 527a_100020643023_100000743197 [0,2,0,0,0,0|1,1,0]=4 1921 B9R0.8 CCCNC(=O)C(C)SC 11a_100020643023_100000149566 [0,2,0,0,0,0|1,0,0]=3 1922 B9R0.8 CCCNC(=O)C(C)SC 1626a_100020643023_100000149566 [0,2,0,0,0,0|1,0,0]=3 1923 B9R0.8 CCCNC(=O)C(C)SC 240690a_100020643023_100000149566 [0,2,0,0,0,0|1,0,0]=3 1924 B9R0.8 CCCNC(=O)C(C)SC 527a_100020643023_100000149566 [0,2,0,0,0,0|1,0,0]=3 1925 B9R0.8 CCCNC(=O)C(C)SC 62a_100000230305_200000210301 [0,2,0,0,0,0|1,0,0]=3 1926 B9R0.8 CCCNC(=O)C(C)SC 62a_200000210301_100000230305 [0,2,0,0,0,0|1,0,0]=3 1927 B9R0.8 CCCNC(=O)C(C)S[13CH3] 62a_100000230305_200025704644 [0,2,0,0,0,0|1,0,0]=3 1928 B9R0.8 CCCNC(=O)C(C)S[13CH3] 62a_200025704644_100000230305 [0,2,0,0,0,0|1,0,0]=3 1929 B9R0.8 CCCNC(=O)C(O)CC 240690a_100020643023_100011196387 [0,2,0,0,0,0|1,1,0]=4 1930 B9R0.8 CCCNC(=O)C(O)CO 240690a_100020643023_100011215603 [0,2,0,0,0,0|1,1,0]=4 1931 B9R0.8 CCCOC(=O)C(C)NC 2230a_106832991635_100000760410 [0,2,0,0,0,0|1,0,0]=3 1932 B9R0.8 CCCOC(=O)C(C)NC 34a_100102657272_100000760410 [0,2,0,0,0,0|1,0,0]=3 1933 B9R0.8 CCCOC(=O)C(C)NC 7a_106832991635_100000760410 [0,2,0,0,0,0|1,0,0]=3 1934 B9R0.8 CCCOC(=O)C(C)OC 34a_100000037348_200000210301 [0,2,0,0,0,0|0,1,0]=3 1935 B9R0.8 CCCOC(=O)C(C)OC 34a_100138415774_100000760410 [0,2,0,0,0,0|0,1,0]=3 1936 B9R0.8 CCCOC(=O)C(C)OC 7a_100000037348_200000210301 [0,2,0,0,0,0|0,1,0]=3 1937 B9R0.8 CCCOC(=O)C(C)O[13CH3] 34a_100000037348_200025704644 [0,2,0,0,0,0|0,1,0]=3 1938 B9R0.8 CCCOC(=O)C(C)O[13CH3] 7a_100000037348_200025704644 [0,2,0,0,0,0|0,1,0]=3 1939 B9R0.8 CCCOC(=O)C(C)SC 62a_100000760410_200000210301 [0,2,0,0,0,0|0,0,0]=2 1940 B9R0.8 CCCOC(=O)C(C)SC 62a_200000210301_100000760410 [0,2,0,0,0,0|0,0,0]=2 1941 B9R0.8 CCCOC(=O)C(C)S[13CH3] 62a_100000760410_200025704644 [0,2,0,0,0,0|0,0,0]=2 1942 B9R0.8 CCCOC(=O)C(C)S[13CH3] 62a_200025704644_100000760410 [0,2,0,0,0,0|0,0,0]=2 1943 B9R0.8 CCNN=C(C)C(C)SC 4a_100000756455_200011218923 [0,2,0,0,0,0|2,0,0]=4 1944 B9R0.8 CCNNC(=O)C(C)C#N 22a_100000756455_100000753662 [0,2,0,0,0,0|2,0,0]=4 1945 B9R0.8 CCNNC(=O)C(C)CC 22a_100000756455_100011192722 [0,2,0,0,0,0|2,0,0]=4 1946 B9R0.8 CCNNC(=O)C(C)OC 22a_100000756455_100000743197 [0,2,0,0,0,0|1,1,0]=4 1947 B9R0.8 CCNNC(=O)C(C)SC 22a_100000756455_100000149566 [0,2,0,0,0,0|1,0,0]=3 1948 B9R0.8 CCNNC(=O)C(O)CC 22a_100000756455_100011196387 [0,2,0,0,0,0|1,1,0]=4 1949 B9R0.8 CCNNC(=O)C(O)CO 22a_100000756455_100011215603 [0,2,0,0,0,0|1,1,0]=4 1950 B9R0.8 CCOCC(=O)C(=O)OC 34a_100121572206_100011610305 [0,2,0,0,0,0|0,1,1]=4 1951 B9R0.8 CCOCC(=O)C(C)C#N 1458a_100000211967_100000703298 [0,2,0,0,0,0|1,0,0]=3 1952 B9R0.8 CCOCC(=O)C(C)CC 1458a_100000211967_100000758301 [0,2,0,0,0,0|1,0,0]=3 1953 B9R0.8 CCOCC(=O)N(C)CC 11a_100000225621_100000211967 [0,2,0,0,0,0|2,0,0]=4 1954 B9R0.8 CCOCC(=O)N(C)CC 1626a_100000225621_100000211967 [0,2,0,0,0,0|2,0,0]=4 1955 B9R0.8 CCOCC(=O)N(C)CC 240690a_100000225621_100000211967 [0,2,0,0,0,0|2,0,0]=4 1956 B9R0.8 CCOCC(=O)N(C)CC 34a_100121572206_100000738999 [0,2,0,0,0,0|2,0,0]=4 1957 B9R0.8 CCOCC(=O)N(C)CC 527a_100000225621_100000211967 [0,2,0,0,0,0|2,0,0]=4 1958 B9R0.8 CCSCC(=O)C(C)C#N 1458a_100000230394_100000703298 [0,2,0,0,0,0|1,1,0]=4 1959 B9R0.8 CCSCC(=O)C(C)CC 1458a_100000230394_100000758301 [0,2,0,0,0,0|1,1,0]=4 1960 B9R0.8 COC(C)C(=O)CCCF 1458a_100000743197_100011934791 [0,2,0,0,0,0|1,1,0]=4 1961 B9R0.8 COC(C)C(=O)CCCO 1458a_100000743197_100011215043 [0,2,0,0,0,0|1,1,0]=4 1962 B9R0.8 COC(C)C(=O)CCSC 1458a_100000743197_100000751147 [0,2,0,0,0,0|1,1,0]=4 1963 B9R0.8 COC(C)C(=O)NCCF 11a_100000724931_100000743197 [0,2,0,0,0,0|1,1,0]=4 1964 B9R0.8 COC(C)C(=O)NCCF 1626a_100000724931_100000743197 [0,2,0,0,0,0|1,1,0]=4 1965 B9R0.8 COC(C)C(=O)NCCF 240690a_100000724931_100000743197 [0,2,0,0,0,0|1,1,0]=4 1966 B9R0.8 COC(C)C(=O)NCCF 527a_100000724931_100000743197 [0,2,0,0,0,0|1,1,0]=4 1967 B9R0.8 COC(C)C(=O)NCCO 240690a_100000210304_100000743197 [0,2,0,0,0,0|1,1,0]=4 1968 B9R0.8 COC(C)C(=O)NCCO 527a_100000210304_100000743197 [0,2,0,0,0,0|1,1,0]=4 1969 B9R0.8 COCCC(=O)C(C)C#N 1458a_100000749529_100000703298 [0,2,0,0,0,0|2,0,0]=4 1970 B9R0.8 COCCC(=O)C(C)C#N 1458a_100000753662_100000233755 [0,2,0,0,0,0|2,0,0]=4 1971 B9R0.8 COCCC(=O)C(C)OC 1458a_100000743197_100000233755 [0,2,0,0,0,0|1,1,0]=4 1972 B9R0.8 COCCC(=O)C(C)SC 1458a_100000149566_100000233755 [0,2,0,0,0,0|1,0,0]=3 1973 B9R0.8 COCCC(=O)C(O)CO 1458a_100011215603_100000233755 [0,2,0,0,0,0|1,1,0]=4 1974 B9R0.8 CSC(C)C(=O)CCC#N 1458a_100000149566_100011215226 [0,2,0,0,0,0|1,0,1]=4 1975 B9R0.8 CSC(C)C(=O)CCCF 1458a_100000149566_100011934791 [0,2,0,0,0,0|1,0,0]=3 1976 B9R0.8 CSC(C)C(=O)CCCO 1458a_100000149566_100011215043 [0,2,0,0,0,0|1,0,0]=3 1977 B9R0.8 CSC(C)C(=O)NCC#N 1626a_100000734998_100000149566 [0,2,0,0,0,0|1,0,1]=4 1978 B9R0.8 CSC(C)C(=O)NCC#N 527a_100000734998_100000149566 [0,2,0,0,0,0|1,0,1]=4 1979 B9R0.8 CSC(C)C(=O)NCCF 11a_100000724931_100000149566 [0,2,0,0,0,0|1,0,0]=3 1980 B9R0.8 CSC(C)C(=O)NCCF 1626a_100000724931_100000149566 [0,2,0,0,0,0|1,0,0]=3 1981 B9R0.8 CSC(C)C(=O)NCCF 240690a_100000724931_100000149566 [0,2,0,0,0,0|1,0,0]=3 1982 B9R0.8 CSC(C)C(=O)NCCF 527a_100000724931_100000149566 [0,2,0,0,0,0|1,0,0]=3 1983 B9R0.8 CSC(C)C(=O)NCCO 240690a_100000210304_100000149566 [0,2,0,0,0,0|1,0,0]=3 1984 B9R0.8 CSC(C)C(=O)NCCO 527a_100000210304_100000149566 [0,2,0,0,0,0|1,0,0]=3 1985 B9R0.8 CSCCC(=O)C(C)C#N 1458a_100000174002_100000703298 [0,2,0,0,0,0|2,0,0]=4 1986 B9R0.8 CSCCC(=O)C(C)C#N 1458a_100000753662_100000751147 [0,2,0,0,0,0|2,0,0]=4 1987 B9R0.8 CSCCC(=O)C(C)SC 1458a_100000149566_100000751147 [0,2,0,0,0,0|1,0,0]=3 1988 B9R0.8 CSCCC(=O)C(O)CO 1458a_100011215603_100000751147 [0,2,0,0,0,0|1,1,0]=4 1989 B9R0.8 O=C(CCCF)C(O)CO 1458a_100011215603_100011934791 [0,2,0,0,0,0|1,1,0]=4 1990 B9R0.8 O=C(CCCO)C(O)CO 1458a_100011215603_100011215043 [0,2,0,0,0,0|1,1,0]=4 1991 B9R0.8 O=C(NCCF)C(O)CO 240690a_100000724931_100011215603 [0,2,0,0,0,0|1,1,0]=4 1992 B9R0.8 O=C(NCCO)C(O)CO 240690a_100000210304_100011215603 [0,2,0,0,0,0|1,1,0]=4 1993 B9R0.19 C#CC(C)(C)C(=O)CCC 1458a_100000079900_100000210303 [0,2,0,0,0,0|2,0,0]=4 1994 B9R0.19 C#CC(C)(C)C(=O)CCC 1458a_100000211992_100000038118 [0,2,0,0,0,0|2,0,0]=4 1995 B9R0.19 C#CC(C)(C)C(=O)NCC 11a_100015525214_100000079900 [0,2,0,0,0,0|2,0,0]=4 1996 B9R0.19 C#CC(C)(C)C(=O)NCC 240690a_100015525214_100000079900 [0,2,0,0,0,0|2,0,0]=4 1997 B9R0.19 C#CC(C)(C)C(=O)NCC 527a_100015525214_100000079900 [0,2,0,0,0,0|2,0,0]=4 1998 B9R0.19 C=CC(C)(C)C(=O)CCC 1458a_100012027013_100000210303 [0,2,0,0,0,0|2,0,0]=4 1999 B9R0.19 C=CC(C)(C)C(=O)NCC 11a_100015525214_100012027013 [0,2,0,0,0,0|2,0,0]=4 2000 B9R0.19 C=CC(C)(C)C(=O)NCC 240690a_100015525214_100012027013 [0,2,0,0,0,0|2,0,0]=4 2001 B9R0.19 C=CC(C)(C)C(=O)NCC 527a_100015525214_100012027013 [0,2,0,0,0,0|2,0,0]=4 2002 B9R0.19 CCCC(=O)C(C)(C)C#N 1458a_100000740761_100000210303 [0,2,0,0,0,0|2,0,0]=4 2003 B9R0.19 CCCC(=O)C(C)(C)CC 1458a_100000749717_100000210303 [0,2,0,0,0,0|2,0,0]=4 2004 B9R0.19 CCCC(=O)C(C)(C)CF 1458a_100000138116_100000210303 [0,2,0,0,0,0|2,0,0]=4 2005 B9R0.19 CCCC(=O)C(C)(C)CO 1458a_100000749806_100000210303 [0,2,0,0,0,0|1,1,0]=4 2006 B9R0.19 CCCC(=O)C(C)(C)OC 1458a_100000753492_100000210303 [0,2,0,0,0,0|1,1,0]=4 2007 B9R0.19 CCCC(=O)C(C)(O)CC 1458a_100011219770_100000210303 [0,2,0,0,0,0|1,1,0]=4 2008 B9R0.19 CCCC(=O)C(F)(F)CC 1458a_100000061896_100000210303 [0,2,0,0,0,0|2,0,0]=4 2009 B9R0.19 CCNC(=O)C(C)(C)C#N 11a_100015525214_100000740761 [0,2,0,0,0,0|2,0,0]=4 2010 B9R0.19 CCNC(=O)C(C)(C)C#N 240690a_100015525214_100000740761 [0,2,0,0,0,0|2,0,0]=4 2011 B9R0.19 CCNC(=O)C(C)(C)C#N 527a_100015525214_100000740761 [0,2,0,0,0,0|2,0,0]=4 2012 B9R0.19 CCNC(=O)C(C)(C)CC 11a_100015525214_100000749717 [0,2,0,0,0,0|2,0,0]=4 2013 B9R0.19 CCNC(=O)C(C)(C)CC 240690a_100015525214_100000749717 [0,2,0,0,0,0|2,0,0]=4 2014 B9R0.19 CCNC(=O)C(C)(C)CC 527a_100015525214_100000749717 [0,2,0,0,0,0|2,0,0]=4 2015 B9R0.19 CCNC(=O)C(C)(C)CF 11a_100015525214_100000138116 [0,2,0,0,0,0|2,0,0]=4 2016 B9R0.19 CCNC(=O)C(C)(C)CF 240690a_100015525214_100000138116 [0,2,0,0,0,0|2,0,0]=4 2017 B9R0.19 CCNC(=O)C(C)(C)CF 527a_100015525214_100000138116 [0,2,0,0,0,0|2,0,0]=4 2018 B9R0.19 CCNC(=O)C(C)(C)CO 240690a_100015525214_100000749806 [0,2,0,0,0,0|1,1,0]=4 2019 B9R0.19 CCNC(=O)C(C)(C)CO 527a_100015525214_100000749806 [0,2,0,0,0,0|1,1,0]=4 2020 B9R0.19 CCNC(=O)C(C)(C)OC 11a_100015525214_100000753492 [0,2,0,0,0,0|1,1,0]=4 2021 B9R0.19 CCNC(=O)C(C)(C)OC 240690a_100015525214_100000753492 [0,2,0,0,0,0|1,1,0]=4 2022 B9R0.19 CCNC(=O)C(C)(C)OC 527a_100015525214_100000753492 [0,2,0,0,0,0|1,1,0]=4 2023 B9R0.19 CCNC(=O)C(C)(O)CC 240690a_100015525214_100011219770 [0,2,0,0,0,0|1,1,0]=4 2024 B9R0.19 CCNC(=O)C(F)(F)CC 11a_100015525214_100000061896 [0,2,0,0,0,0|2,0,0]=4 2025 B9R0.19 CCNC(=O)C(F)(F)CC 240690a_100015525214_100000061896 [0,2,0,0,0,0|2,0,0]=4 2026 B9R0.19 CCNC(=O)C(F)(F)CC 527a_100015525214_100000061896 [0,2,0,0,0,0|2,0,0]=4 2027 B9R0.19 CCOC(=O)C(C)(C)NC 2230a_106832991635_100011216345 [0,2,0,0,0,0|1,0,0]=3 2028 B9R0.19 CCOC(=O)C(C)(C)NC 7a_106832991635_100011216345 [0,2,0,0,0,0|1,0,0]=3 2029 B9R0.19 CCOC(=O)C(C)(C)OC 34a_100000686869_200000210301 [0,2,0,0,0,0|0,1,0]=3 2030 B9R0.19 CCOC(=O)C(C)(C)OC 7a_100000686869_200000210301 [0,2,0,0,0,0|0,1,0]=3 2031 B9R0.19 CCOC(=O)C(C)(C)O[13CH3] 34a_100000686869_200025704644 [0,2,0,0,0,0|0,1,0]=3 2032 B9R0.19 CCOC(=O)C(C)(C)O[13CH3] 7a_100000686869_200025704644 [0,2,0,0,0,0|0,1,0]=3 2033 B9R0.19 CCOC(=O)C(C)(C)SC 62a_100011216345_200000210301 [0,2,0,0,0,0|0,0,0]=2 2034 B9R0.19 CCOC(=O)C(C)(C)SC 62a_200000210301_100011216345 [0,2,0,0,0,0|0,0,0]=2 2035 B9R0.19 CCOC(=O)C(C)(C)S[13CH3] 62a_100011216345_200025704644 [0,2,0,0,0,0|0,0,0]=2 2036 B9R0.19 CCOC(=O)C(C)(C)S[13CH3] 62a_200025704644_100011216345 [0,2,0,0,0,0|0,0,0]=2 2037 B9R0.19 CCOC(=O)C(F)(F)NC 34a_100102657272_100000210910 [0,2,0,0,0,0|1,0,0]=3 2038 B9R0.19 CCOC(=O)C(F)(F)NC 7a_106832991635_100000210910 [0,2,0,0,0,0|1,0,0]=3 2039 B9R0.19 CCOC(=O)C(F)(F)OC 34a_100138415774_100000210910 [0,2,0,0,0,0|1,0,0]=3 2040 B9R0.19 CCOC(=O)C(F)(F)SC 62a_100000210910_200000210301 [0,2,0,0,0,0|1,0,0]=3 2041 B9R0.19 CCOC(=O)C(F)(F)SC 62a_200000210301_100000210910 [0,2,0,0,0,0|1,0,0]=3 2042 B9R0.19 CCOC(=O)C(F)(F)S[13CH3] 62a_100000210910_200025704644 [0,2,0,0,0,0|1,0,0]=3 2043 B9R0.19 CCOC(=O)C(F)(F)S[13CH3] 62a_200025704644_100000210910 [0,2,0,0,0,0|1,0,0]=3 2044 B9R0.35 C=C(CNC)C(=O)OCC 34a_100102657272_100000755967 [0,2,0,0,0,0|1,0,1]=4 2045 B9R0.35 C=C(CNC)C(=O)OCC 7a_106832991635_100000755967 [0,2,0,0,0,0|1,0,1]=4 2046 B9R0.35 C=C(COC)C(=O)OCC 34a_100138415774_100000755967 [0,2,0,0,0,0|1,0,1]=4 2047 B9R0.35 C=C(CSC)C(=O)OCC 62a_100000755967_200000210301 [0,2,0,0,0,0|0,0,2]=4 2048 B9R0.35 C=C(CSC)C(=O)OCC 62a_200000210301_100000755967 [0,2,0,0,0,0|0,0,2]=4 2049 B9R0.35 C=C(CS[13CH3])C(=O)OCC 62a_100000755967_200025704644 [0,2,0,0,0,0|0,0,2]=4 2050 B9R0.35 C=C(CS[13CH3])C(=O)OCC 62a_200025704644_100000755967 [0,2,0,0,0,0|0,0,2]=4 2051 B9R0.35 C=CCC(C)C(=O)CCC 1458a_100011216819_100000210303 [0,2,0,0,0,0|2,0,0]=4 2052 B9R0.35 C=CCC(C)C(=O)NCC 11a_100015525214_100011216819 [0,2,0,0,0,0|2,0,0]=4 2053 B9R0.35 C=CCC(C)C(=O)NCC 240690a_100015525214_100011216819 [0,2,0,0,0,0|2,0,0]=4 2054 B9R0.35 C=CCC(C)C(=O)NCC 527a_100015525214_100011216819 [0,2,0,0,0,0|2,0,0]=4 2055 B9R0.35 CCCC(=O)C(C)CC#N 1458a_100000211992_100009813641 [0,2,0,0,0,0|2,0,0]=4 2056 B9R0.35 CCCC(=O)C(C)CCC 1458a_100000210906_100000210303 [0,2,0,0,0,0|2,0,0]=4 2057 B9R0.35 CCCC(=O)C(C)CCC 1458a_100000211992_100000766640 [0,2,0,0,0,0|2,0,0]=4 2058 B9R0.35 CCCC(=O)C(C)CCO 1458a_100000211992_100009893172 [0,2,0,0,0,0|1,1,0]=4 2059 B9R0.35 CCCC(=O)C(C)COC 1458a_100000211992_100000765312 [0,2,0,0,0,0|1,1,0]=4 2060 B9R0.35 CCCC(=O)C(C)COC 1458a_100000751857_100000210303 [0,2,0,0,0,0|1,1,0]=4 2061 B9R0.35 CCCC(=O)C(C)CSC 1458a_100000753918_100000210303 [0,2,0,0,0,0|1,0,0]=3 2062 B9R0.35 CCCC(=O)C(C)OCC 1458a_100000739345_100000210303 [0,2,0,0,0,0|1,1,0]=4 2063 B9R0.35 CCCC(=O)C(C)SCC 1458a_100000230601_100000210303 [0,2,0,0,0,0|1,0,0]=3 2064 B9R0.35 CCCC(=O)[C@@H](O)CCC 1458a_100009822183_100000210303 [0,2,0,0,0,0|1,1,0]=4 2065 B9R0.35 CCCC(C)C(=O)NCC 11a_100015525214_100000210906 [0,2,0,0,0,0|2,0,0]=4 2066 B9R0.35 CCCC(C)C(=O)NCC 240690a_100015525214_100000210906 [0,2,0,0,0,0|2,0,0]=4 2067 B9R0.35 CCCC(C)C(=O)NCC 527a_100015525214_100000210906 [0,2,0,0,0,0|2,0,0]=4 2068 B9R0.35 CCC[C@H](O)C(=O)NCC 240690a_100015525214_100009822183 [0,2,0,0,0,0|1,1,0]=4 2069 B9R0.35 CCNC(=O)C(=O)OCC 11a_100015525214_100014798877 [0,2,0,0,0,0|0,1,1]=4 2070 B9R0.35 CCNC(=O)C(=O)OCC 240690a_100015525214_100014798877 [0,2,0,0,0,0|0,1,1]=4 2071 B9R0.35 CCNC(=O)C(C)COC 11a_100015525214_100000751857 [0,2,0,0,0,0|1,1,0]=4 2072 B9R0.35 CCNC(=O)C(C)COC 240690a_100015525214_100000751857 [0,2,0,0,0,0|1,1,0]=4 2073 B9R0.35 CCNC(=O)C(C)COC 527a_100015525214_100000751857 [0,2,0,0,0,0|1,1,0]=4 2074 B9R0.35 CCNC(=O)C(C)CSC 11a_100015525214_100000753918 [0,2,0,0,0,0|1,0,0]=3 2075 B9R0.35 CCNC(=O)C(C)CSC 240690a_100015525214_100000753918 [0,2,0,0,0,0|1,0,0]=3 2076 B9R0.35 CCNC(=O)C(C)CSC 527a_100015525214_100000753918 [0,2,0,0,0,0|1,0,0]=3 2077 B9R0.35 CCNC(=O)C(C)NCC 2230a_100000736553_100000210202 [0,2,0,0,0,0|2,0,0]=4 2078 B9R0.35 CCNC(=O)C(C)NCC 2230a_100015525214_100000230173 [0,2,0,0,0,0|2,0,0]=4 2079 B9R0.35 CCNC(=O)C(C)NCC 34a_100000736553_100000210202 [0,2,0,0,0,0|2,0,0]=4 2080 B9R0.35 CCNC(=O)C(C)NCF 34a_100000736553_100015361967 [0,2,0,0,0,0|2,0,0]=4 2081 B9R0.35 CCNC(=O)C(C)OCC 11a_100015525214_100000739345 [0,2,0,0,0,0|1,1,0]=4 2082 B9R0.35 CCNC(=O)C(C)OCC 240690a_100015525214_100000739345 [0,2,0,0,0,0|1,1,0]=4 2083 B9R0.35 CCNC(=O)C(C)OCC 34a_100121572206_100000230173 [0,2,0,0,0,0|1,1,0]=4 2084 B9R0.35 CCNC(=O)C(C)OCC 527a_100015525214_100000739345 [0,2,0,0,0,0|1,1,0]=4 2085 B9R0.35 CCNC(=O)C(C)SCC 11a_100015525214_100000230601 [0,2,0,0,0,0|1,0,0]=3 2086 B9R0.35 CCNC(=O)C(C)SCC 240690a_100015525214_100000230601 [0,2,0,0,0,0|1,0,0]=3 2087 B9R0.35 CCNC(=O)C(C)SCC 527a_100015525214_100000230601 [0,2,0,0,0,0|1,0,0]=3 2088 B9R0.35 CCNC(=O)C(C)SCC 62a_100000210202_100000230173 [0,2,0,0,0,0|1,0,0]=3 2089 B9R0.35 CCNC(=O)C(C)SCC 62a_100000230173_100000210202 [0,2,0,0,0,0|1,0,0]=3 2090 B9R0.35 CCNC(=O)C(C)SCF 62a_100000230173_100015361967 [0,2,0,0,0,0|1,0,0]=3 2091 B9R0.35 CCNC(=O)C(C)SCF 62a_100015361967_100000230173 [0,2,0,0,0,0|1,0,0]=3 2092 B9R0.35 CCNC(C)C(=O)OCC 2230a_100015525214_100011215307 [0,2,0,0,0,0|1,0,0]=3 2093 B9R0.35 CCNC(F)C(=O)OCC 2230a_100015525214_100000760018 [0,2,0,0,0,0|1,0,0]=3 2094 B9R0.35 CCN[C@@H](C)C(=O)SCC 2230a_100103168634_100000210202 [0,2,0,0,0,0|1,1,0]=4 2095 B9R0.35 CCOC(=O)C(=O)CSC 62a_100000211299_200000210301 [0,2,0,0,0,0|0,1,1]=4 2096 B9R0.35 CCOC(=O)C(=O)CSC 62a_200000210301_100000211299 [0,2,0,0,0,0|0,1,1]=4 2097 B9R0.35 CCOC(=O)C(=O)CS[13CH3] 62a_100000211299_200025704644 [0,2,0,0,0,0|0,1,1]=4 2098 B9R0.35 CCOC(=O)C(=O)CS[13CH3] 62a_200025704644_100000211299 [0,2,0,0,0,0|0,1,1]=4 2099 B9R0.35 CCOC(=O)C(C)OCC 34a_100121572206_100011216346 [0,2,0,0,0,0|0,1,0]=3 2100 B9R0.35 CCOC(=O)C(C)SCC 62a_100000210202_100011216346 [0,2,0,0,0,0|0,0,0]=2 2101 B9R0.35 CCOC(=O)C(C)SCC 62a_100011216346_100000210202 [0,2,0,0,0,0|0,0,0]=2 2102 B9R0.35 CCOC(=O)C(C)SCF 62a_100011216346_100015361967 [0,2,0,0,0,0|0,0,0]=2 2103 B9R0.35 CCOC(=O)C(C)SCF 62a_100015361967_100011216346 [0,2,0,0,0,0|0,0,0]=2 2104 B9R0.35 CCOC(=O)C(F)OCC 34a_100121572206_100000760018 [0,2,0,0,0,0|1,0,0]=3 2105 B9R0.35 CCOC(=O)C(F)SCC 62a_100000210202_100000760018 [0,2,0,0,0,0|1,0,0]=3 2106 B9R0.35 CCOC(=O)C(F)SCC 62a_100000760018_100000210202 [0,2,0,0,0,0|1,0,0]=3 2107 B9R0.35 CCOC(=O)C(F)SCF 62a_100000760018_100015361967 [0,2,0,0,0,0|1,0,0]=3 2108 B9R0.35 CCOC(=O)C(F)SCF 62a_100015361967_100000760018 [0,2,0,0,0,0|1,0,0]=3 2109 B9R0.35 CCOC(=O)[C@H](C)OCC 7a_100000751109_100000210202 [0,2,0,0,0,0|0,1,0]=3 2110 B9R0.35 CCOC(=O)[C@H](C)OCF 7a_100000751109_100015361967 [0,2,0,0,0,0|0,1,0]=3 2111 B9R0.35 CCSC(C)C(=O)CCF 1458a_100000230601_100011217306 [0,2,0,0,0,0|2,0,0]=4 2112 B9R0.35 CCSC(C)C(=O)CCO 1458a_100000230601_100000211926 [0,2,0,0,0,0|2,0,0]=4 2113 B9R0.35 CCSC(C)C(=O)NNC 22a_100016993582_100000230601 [0,2,0,0,0,0|2,0,0]=4 2114 B9R0.35 CNNC(=O)C(C)CSC 22a_100016993582_100000753918 [0,2,0,0,0,0|2,0,0]=4 2115 B9R0.35 CSCC(C)C(=O)CCF 1458a_100000753918_100011217306 [0,2,0,0,0,0|2,0,0]=4 2116 B9R0.35 CSCC(C)C(=O)CCO 1458a_100000753918_100000211926 [0,2,0,0,0,0|2,0,0]=4 2117 B9R0.37 CCCC(=O)C(CC)CC 1458a_100000211163_100000210303 [0,2,0,0,0,0|2,0,0]=4 2118 B9R0.37 CCCC(=O)C(CC)CC 1458a_100000211992_100000210505 [0,2,0,0,0,0|2,0,0]=4 2119 B9R0.37 CCCC(=O)C(CC)OC 1458a_100000747056_100000210303 [0,2,0,0,0,0|1,1,0]=4 2120 B9R0.37 CCCC(=O)C(OC)OC 1458a_100000046285_100000210303 [0,2,0,0,0,0|1,1,0]=4 2121 B9R0.37 CCNC(=O)C(CC)CC 11a_100015525214_100000211163 [0,2,0,0,0,0|2,0,0]=4 2122 B9R0.37 CCNC(=O)C(CC)CC 240690a_100015525214_100000211163 [0,2,0,0,0,0|2,0,0]=4 2123 B9R0.37 CCNC(=O)C(CC)CC 527a_100015525214_100000211163 [0,2,0,0,0,0|2,0,0]=4 2124 B9R0.37 CCNC(=O)C(CC)OC 11a_100015525214_100000747056 [0,2,0,0,0,0|1,1,0]=4 2125 B9R0.37 CCNC(=O)C(CC)OC 240690a_100015525214_100000747056 [0,2,0,0,0,0|1,1,0]=4 2126 B9R0.37 CCNC(=O)C(CC)OC 527a_100015525214_100000747056 [0,2,0,0,0,0|1,1,0]=4 2127 B9R0.37 CCNC(=O)C(OC)OC 11a_100015525214_100000046285 [0,2,0,0,0,0|1,1,0]=4 2128 B9R0.37 CCNC(=O)C(OC)OC 240690a_100015525214_100000046285 [0,2,0,0,0,0|1,1,0]=4 2129 B9R0.37 CCNC(=O)C(OC)OC 527a_100015525214_100000046285 [0,2,0,0,0,0|1,1,0]=4 2130 B9R0.37 CCOC(=O)C(C=O)SC 62a_100000053139_200000210301 [0,2,0,0,0,0|0,0,1]=3 2131 B9R0.37 CCOC(=O)C(C=O)SC 62a_200000210301_100000053139 [0,2,0,0,0,0|0,0,1]=3 2132 B9R0.37 CCOC(=O)C(C=O)S[13CH3] 62a_100000053139_200025704644 [0,2,0,0,0,0|0,0,1]=3 2133 B9R0.37 CCOC(=O)C(C=O)S[13CH3] 62a_200025704644_100000053139 [0,2,0,0,0,0|0,0,1]=3 2134 B9R0.37 CCOC(=O)C(CC)NC 2230a_106832991635_100000212269 [0,2,0,0,0,0|1,0,0]=3 2135 B9R0.37 CCOC(=O)C(CC)NC 34a_100102657272_100000212269 [0,2,0,0,0,0|1,0,0]=3 2136 B9R0.37 CCOC(=O)C(CC)NC 7a_106832991635_100000212269 [0,2,0,0,0,0|1,0,0]=3 2137 B9R0.37 CCOC(=O)C(CC)OC 34a_100011216719_200000210301 [0,2,0,0,0,0|0,1,0]=3 2138 B9R0.37 CCOC(=O)C(CC)OC 34a_100138415774_100000212269 [0,2,0,0,0,0|0,1,0]=3 2139 B9R0.37 CCOC(=O)C(CC)OC 7a_100011216719_200000210301 [0,2,0,0,0,0|0,1,0]=3 2140 B9R0.37 CCOC(=O)C(CC)O[13CH3] 34a_100011216719_200025704644 [0,2,0,0,0,0|0,1,0]=3 2141 B9R0.37 CCOC(=O)C(CC)O[13CH3] 7a_100011216719_200025704644 [0,2,0,0,0,0|0,1,0]=3 2142 B9R0.37 CCOC(=O)C(CC)SC 62a_100000212269_200000210301 [0,2,0,0,0,0|0,0,0]=2 2143 B9R0.37 CCOC(=O)C(CC)SC 62a_200000210301_100000212269 [0,2,0,0,0,0|0,0,0]=2 2144 B9R0.37 CCOC(=O)C(CC)S[13CH3] 62a_100000212269_200025704644 [0,2,0,0,0,0|0,0,0]=2 2145 B9R0.37 CCOC(=O)C(CC)S[13CH3] 62a_200025704644_100000212269 [0,2,0,0,0,0|0,0,0]=2 2146 B9R0.37 CCOC(=O)C(NC)SC 34a_100102657272_100009893047 [0,2,0,0,0,0|0,0,0]=2 2147 B9R0.37 CCOC(=O)C(OC)SC 34a_100138415774_100009893047 [0,2,0,0,0,0|0,0,0]=2 2148 B9R0.37 CCOC(=O)C(SC)SC 62a_100009893047_200000210301 [0,2,0,0,0,0|0,0,0]=2 2149 B9R0.37 CCOC(=O)C(SC)SC 62a_200000210301_100009893047 [0,2,0,0,0,0|0,0,0]=2 2150 B9R0.37 CCOC(=O)C(SC)S[13CH3] 62a_100009893047_200025704644 [0,2,0,0,0,0|0,0,0]=2 2151 B9R0.37 CCOC(=O)C(SC)S[13CH3] 62a_200025704644_100009893047 [0,2,0,0,0,0|0,0,0]=2 2152 B9R0.3 CC(C)(C)C(=O)CCCF 1458a_106744555173_100011934791 [0,2,0,0,0,0|2,0,0]=4 2153 B9R0.3 CC(C)(C)C(=O)CCCO 1458a_106744555173_100011215043 [0,2,0,0,0,0|2,0,0]=4 2154 B9R0.3 CC(C)(C)C(=O)COCF 34a_200011592769_100015361967 [0,2,0,0,0,0|2,0,0]=4 2155 B9R0.3 CC(C)(C)C(=O)COCF 7a_200011592769_100015361967 [0,2,0,0,0,0|2,0,0]=4 2156 B9R0.3 CC(C)(C)C(=O)NCCF 11a_100000724931_106744555173 [0,2,0,0,0,0|2,0,0]=4 2157 B9R0.3 CC(C)(C)C(=O)NCCF 1626a_100000724931_106744555173 [0,2,0,0,0,0|2,0,0]=4 2158 B9R0.3 CC(C)(C)C(=O)NCCF 240690a_100000724931_106744555173 [0,2,0,0,0,0|2,0,0]=4 2159 B9R0.3 CC(C)(C)C(=O)NCCF 527a_100000724931_106744555173 [0,2,0,0,0,0|2,0,0]=4 2160 B9R0.3 CC(C)(C)C(=O)NCCO 240690a_100000210304_106744555173 [0,2,0,0,0,0|2,0,0]=4 2161 B9R0.3 CC(C)(C)C(=O)NCCO 527a_100000210304_106744555173 [0,2,0,0,0,0|2,0,0]=4 2162 B9R0.3 CC(C)(C)C(=O)OCS[13CH3] 62a_100000032063_200025704644 [0,2,0,0,0,0|1,0,0]=3 2163 B9R0.3 CC(C)(C)C(=O)OCS[13CH3] 62a_200025704644_100000032063 [0,2,0,0,0,0|1,0,0]=3 2164 B9R0.3 CC(C)(F)C(=O)CCCF 1458a_100000765255_100011934791 [0,2,0,0,0,0|2,0,0]=4 2165 B9R0.3 CC(C)(F)C(=O)CCCO 1458a_100000765255_100011215043 [0,2,0,0,0,0|2,0,0]=4 2166 B9R0.3 CC(C)(F)C(=O)NCCF 11a_100000724931_100000765255 [0,2,0,0,0,0|2,0,0]=4 2167 B9R0.3 CC(C)(F)C(=O)NCCF 1626a_100000724931_100000765255 [0,2,0,0,0,0|2,0,0]=4 2168 B9R0.3 CC(C)(F)C(=O)NCCF 240690a_100000724931_100000765255 [0,2,0,0,0,0|2,0,0]=4 2169 B9R0.3 CC(C)(F)C(=O)NCCF 527a_100000724931_100000765255 [0,2,0,0,0,0|2,0,0]=4 2170 B9R0.3 CC(C)(F)C(=O)NCCO 240690a_100000210304_100000765255 [0,2,0,0,0,0|2,0,0]=4 2171 B9R0.3 CC(C)(F)C(=O)NCCO 527a_100000210304_100000765255 [0,2,0,0,0,0|2,0,0]=4 2172 B9R0.3 CC(C)(O)C(=O)CCCF 1458a_100000242741_100011934791 [0,2,0,0,0,0|1,1,0]=4 2173 B9R0.3 CC(C)(O)C(=O)CCCO 1458a_100000242741_100011215043 [0,2,0,0,0,0|1,1,0]=4 2174 B9R0.3 CC(C)(O)C(=O)NCCF 240690a_100000724931_100000242741 [0,2,0,0,0,0|1,1,0]=4 2175 B9R0.3 CC(C)(O)C(=O)NCCO 240690a_100000210304_100000242741 [0,2,0,0,0,0|1,1,0]=4 2176 B9R0.3 CC(F)(F)C(=O)NCCF 11a_100000724931_100000042251 [0,2,0,0,0,0|2,0,0]=4 2177 B9R0.3 CC(F)(F)C(=O)NCCF 1626a_100000724931_100000042251 [0,2,0,0,0,0|2,0,0]=4 2178 B9R0.3 CC(F)(F)C(=O)NCCF 240690a_100000724931_100000042251 [0,2,0,0,0,0|2,0,0]=4 2179 B9R0.3 CC(F)(F)C(=O)NCCF 527a_100000724931_100000042251 [0,2,0,0,0,0|2,0,0]=4 2180 B9R0.3 CC(F)(F)C(=O)NCCO 240690a_100000210304_100000042251 [0,2,0,0,0,0|2,0,0]=4 2181 B9R0.3 CC(F)(F)C(=O)NCCO 527a_100000210304_100000042251 [0,2,0,0,0,0|2,0,0]=4 2182 B9R0.3 CCCCC(=O)C(C)(C)C 1458a_106744555173_100000210211 [0,2,0,0,0,0|2,0,0]=4 2183 B9R0.3 CCCCC(=O)C(C)(C)F 1458a_100000765255_100000210211 [0,2,0,0,0,0|2,0,0]=4 2184 B9R0.3 CCCCC(=O)C(C)(C)O 1458a_100000242741_100000210211 [0,2,0,0,0,0|1,1,0]=4 2185 B9R0.3 CCCNC(=O)C(C)(C)C 11a_100020643023_106744555173 [0,2,0,0,0,0|2,0,0]=4 2186 B9R0.3 CCCNC(=O)C(C)(C)C 1626a_100020643023_106744555173 [0,2,0,0,0,0|2,0,0]=4 2187 B9R0.3 CCCNC(=O)C(C)(C)C 240690a_100020643023_106744555173 [0,2,0,0,0,0|2,0,0]=4 2188 B9R0.3 CCCNC(=O)C(C)(C)C 527a_100020643023_106744555173 [0,2,0,0,0,0|2,0,0]=4 2189 B9R0.3 CCCNC(=O)C(C)(C)F 11a_100020643023_100000765255 [0,2,0,0,0,0|2,0,0]=4 2190 B9R0.3 CCCNC(=O)C(C)(C)F 1626a_100020643023_100000765255 [0,2,0,0,0,0|2,0,0]=4 2191 B9R0.3 CCCNC(=O)C(C)(C)F 240690a_100020643023_100000765255 [0,2,0,0,0,0|2,0,0]=4 2192 B9R0.3 CCCNC(=O)C(C)(C)F 527a_100020643023_100000765255 [0,2,0,0,0,0|2,0,0]=4 2193 B9R0.3 CCCNC(=O)C(C)(C)O 240690a_100020643023_100000242741 [0,2,0,0,0,0|1,1,0]=4 2194 B9R0.3 CCCNC(=O)C(C)(F)F 11a_100020643023_100000042251 [0,2,0,0,0,0|2,0,0]=4 2195 B9R0.3 CCCNC(=O)C(C)(F)F 1626a_100020643023_100000042251 [0,2,0,0,0,0|2,0,0]=4 2196 B9R0.3 CCCNC(=O)C(C)(F)F 240690a_100020643023_100000042251 [0,2,0,0,0,0|2,0,0]=4 2197 B9R0.3 CCCNC(=O)C(C)(F)F 527a_100020643023_100000042251 [0,2,0,0,0,0|2,0,0]=4 2198 B9R0.3 CCNNC(=O)C(C)(C)C 22a_100000756455_106744555173 [0,2,0,0,0,0|2,0,0]=4 2199 B9R0.3 CCNNC(=O)C(C)(C)F 22a_100000756455_100000765255 [0,2,0,0,0,0|2,0,0]=4 2200 B9R0.3 CCNNC(=O)C(C)(C)O 22a_100000756455_100000242741 [0,2,0,0,0,0|1,1,0]=4 2201 B9R0.3 CCNNC(=O)C(C)(F)F 22a_100000756455_100000042251 [0,2,0,0,0,0|2,0,0]=4 2202 B9R0.3 CCOCC(=O)C(C)(C)C 34a_100121572206_100000229897 [0,2,0,0,0,0|1,0,0]=3 2203 B9R0.3 CCOCC(=O)C(C)(C)C 34a_200011592769_100000210202 [0,2,0,0,0,0|1,0,0]=3 2204 B9R0.3 CCOCC(=O)C(C)(C)C 7a_200011592769_100000210202 [0,2,0,0,0,0|1,0,0]=3 2205 B9R0.3 CCOCC(=O)C(F)(F)F 1458a_100000211967_200000243211 [0,2,0,0,0,0|2,0,0]=4 2206 B9R0.3 CCOCC(=O)C(F)(F)F 34a_100121572206_100000002480 [0,2,0,0,0,0|2,0,0]=4 2207 B9R0.3 CCSCC(=O)C(C)(C)C 62a_100000210202_100000210923 [0,2,0,0,0,0|1,1,0]=4 2208 B9R0.3 CCSCC(=O)C(C)(C)C 62a_100000210923_100000210202 [0,2,0,0,0,0|1,1,0]=4 2209 B9R0.3 COCCC(=O)C(C)(C)C 1458a_106744555173_100000233755 [0,2,0,0,0,0|2,0,0]=4 2210 B9R0.3 COCCC(=O)C(C)(C)F 1458a_100000765255_100000233755 [0,2,0,0,0,0|2,0,0]=4 2211 B9R0.3 COCCC(=O)C(C)(C)O 1458a_100000242741_100000233755 [0,2,0,0,0,0|1,1,0]=4 2212 B9R0.3 CSCCC(=O)C(C)(C)C 1458a_106744555173_100000751147 [0,2,0,0,0,0|2,0,0]=4 2213 B9R0.3 CSCCC(=O)C(C)(C)F 1458a_100000765255_100000751147 [0,2,0,0,0,0|2,0,0]=4 2214 B9R0.3 CSCCC(=O)C(C)(C)O 1458a_100000242741_100000751147 [0,2,0,0,0,0|1,1,0]=4 2215 B9R0.3 CSCOC(=O)C(C)(C)C 62a_100000032063_200000210301 [0,2,0,0,0,0|1,0,0]=3 2216 B9R0.3 CSCOC(=O)C(C)(C)C 62a_200000210301_100000032063 [0,2,0,0,0,0|1,0,0]=3 2217 B9R0.7 C=C(C)CCC(=O)C(C)C 1458a_100000210198_100000730704 [0,2,0,0,0,0|2,0,0]=4 2218 B9R0.7 C=C(C)CCC(=O)C(C)C 1458a_200000688413_100000210206 [0,2,0,0,0,0|2,0,0]=4 2219 B9R0.7 C=C(C)CCC(=O)C(C)F 1458a_100000062450_100000730704 [0,2,0,0,0,0|2,0,0]=4 2220 B9R0.7 C=C(C)CCC(=O)[C@@H](C)O 1458a_100000717761_100000730704 [0,2,0,0,0,0|1,1,0]=4 2221 B9R0.7 C=C(C)CCC(=O)[C@H](C)O 1458a_217856618621_100000730704 [0,2,0,0,0,0|1,1,0]=4 2222 B9R0.7 C=C(C)CNC(=O)C(C)C 11a_100000765925_100000210198 [0,2,0,0,0,0|2,0,0]=4 2223 B9R0.7 C=C(C)CNC(=O)C(C)C 1626a_100000765925_100000210198 [0,2,0,0,0,0|2,0,0]=4 2224 B9R0.7 C=C(C)CNC(=O)C(C)C 240690a_100000765925_100000210198 [0,2,0,0,0,0|2,0,0]=4 2225 B9R0.7 C=C(C)CNC(=O)C(C)C 527a_100000765925_100000210198 [0,2,0,0,0,0|2,0,0]=4 2226 B9R0.7 C=C(C)CNC(=O)C(C)F 11a_100000765925_100000062450 [0,2,0,0,0,0|2,0,0]=4 2227 B9R0.7 C=C(C)CNC(=O)C(C)F 1626a_100000765925_100000062450 [0,2,0,0,0,0|2,0,0]=4 2228 B9R0.7 C=C(C)CNC(=O)C(C)F 240690a_100000765925_100000062450 [0,2,0,0,0,0|2,0,0]=4 2229 B9R0.7 C=C(C)CNC(=O)C(C)F 527a_100000765925_100000062450 [0,2,0,0,0,0|2,0,0]=4 2230 B9R0.7 C=C(C)CNC(=O)[C@@H](C)O 240690a_100000765925_100000717761 [0,2,0,0,0,0|1,1,0]=4 2231 B9R0.7 C=C(C)CNC(=O)[C@H](C)O 1626a_100000765925_217856618621 [0,2,0,0,0,0|1,1,0]=4 2232 B9R0.7 C=C(C)CNC(=O)[C@H](C)O 240690a_100000765925_217856618621 [0,2,0,0,0,0|1,1,0]=4 2233 B9R0.7 CC(=O)C(=O)COC(C)C 34a_100000212225_100011261029 [0,2,0,0,0,0|0,1,1]=4 2234 B9R0.7 CC(=O)CNC(=O)C(C)C 1458a_100000194582_200000210301 [0,2,0,0,0,0|2,0,0]=4 2235 B9R0.7 CC(=O)COC(=O)C(C)C 1458a_100000070787_100000139345 [0,2,0,0,0,0|1,0,0]=3 2236 B9R0.7 CC(=O)OCC(=O)C(C)C 1458a_100000183556_100000210206 [0,2,0,0,0,0|1,0,1]=4 2237 B9R0.7 CC(C)C(=O)CC[S+](C)C 1458a_100009452791_100000210206 [0,2,0,0,0,0|2,0,0]=4 2238 B9R0.7 CC(C)C(=O)COC(F)F 1458a_200000719455_100000210206 [0,2,0,0,0,0|2,0,0]=4 2239 B9R0.7 CC(C)C(=O)NCC(=O)[13CH3] 1458a_100000194582_200025704644 [0,2,0,0,0,0|2,0,0]=4 2240 B9R0.7 CC(C)C(=O)NCC(F)F 11a_100000765723_100000210198 [0,2,0,0,0,0|2,0,0]=4 2241 B9R0.7 CC(C)C(=O)NCC(F)F 1626a_100000765723_100000210198 [0,2,0,0,0,0|2,0,0]=4 2242 B9R0.7 CC(C)C(=O)NCC(F)F 240690a_100000765723_100000210198 [0,2,0,0,0,0|2,0,0]=4 2243 B9R0.7 CC(C)C(=O)NCC(F)F 527a_100000765723_100000210198 [0,2,0,0,0,0|2,0,0]=4 2244 B9R0.7 CC(C)C=CC(=O)C(C)C 1458a_100016268746_100000210206 [0,2,0,0,0,0|2,0,0]=4 2245 B9R0.7 CC(C)CCC(=O)C(C)C 1458a_100000181311_100000210206 [0,2,0,0,0,0|2,0,0]=4 2246 B9R0.7 CC(C)CCC(=O)C(C)C 1458a_100000210198_100000210312 [0,2,0,0,0,0|2,0,0]=4 2247 B9R0.7 CC(C)CCC(=O)C(C)F 1458a_100000062450_100000210312 [0,2,0,0,0,0|2,0,0]=4 2248 B9R0.7 CC(C)CCC(=O)[C@@H](C)O 1458a_100000717761_100000210312 [0,2,0,0,0,0|1,1,0]=4 2249 B9R0.7 CC(C)CCC(=O)[C@H](C)O 1458a_217856618621_100000210312 [0,2,0,0,0,0|1,1,0]=4 2250 B9R0.7 CC(C)CNC(=O)C(C)C 11a_100000210953_100000210198 [0,2,0,0,0,0|2,0,0]=4 2251 B9R0.7 CC(C)CNC(=O)C(C)C 1626a_100000210953_100000210198 [0,2,0,0,0,0|2,0,0]=4 2252 B9R0.7 CC(C)CNC(=O)C(C)C 240690a_100000210953_100000210198 [0,2,0,0,0,0|2,0,0]=4 2253 B9R0.7 CC(C)CNC(=O)C(C)C 527a_100000210953_100000210198 [0,2,0,0,0,0|2,0,0]=4 2254 B9R0.7 CC(C)CNC(=O)C(C)F 11a_100000210953_100000062450 [0,2,0,0,0,0|2,0,0]=4 2255 B9R0.7 CC(C)CNC(=O)C(C)F 1626a_100000210953_100000062450 [0,2,0,0,0,0|2,0,0]=4 2256 B9R0.7 CC(C)CNC(=O)C(C)F 240690a_100000210953_100000062450 [0,2,0,0,0,0|2,0,0]=4 2257 B9R0.7 CC(C)CNC(=O)C(C)F 527a_100000210953_100000062450 [0,2,0,0,0,0|2,0,0]=4 2258 B9R0.7 CC(C)CNC(=O)[C@@H](C)O 240690a_100000210953_100000717761 [0,2,0,0,0,0|1,1,0]=4 2259 B9R0.7 CC(C)CNC(=O)[C@H](C)O 1626a_100000210953_217856618621 [0,2,0,0,0,0|1,1,0]=4 2260 B9R0.7 CC(C)CNC(=O)[C@H](C)O 240690a_100000210953_217856618621 [0,2,0,0,0,0|1,1,0]=4 2261 B9R0.7 CC(C)NCC(=O)C(C)C 2230a_100138425928_100000753385 [0,2,0,0,0,0|2,0,0]=4 2262 B9R0.7 CC(C)NCC(=O)C(C)C 34a_100138425928_100000753385 [0,2,0,0,0,0|2,0,0]=4 2263 B9R0.7 CC(C)NNC(=O)C(C)C 22a_100000741168_100000210198 [0,2,0,0,0,0|2,0,0]=4 2264 B9R0.7 CC(C)NNC(=O)C(C)F 22a_100000741168_100000062450 [0,2,0,0,0,0|2,0,0]=4 2265 B9R0.7 CC(C)NNC(=O)[C@@H](C)O 22a_100000741168_100000717761 [0,2,0,0,0,0|1,1,0]=4 2266 B9R0.7 CC(C)NNC(=O)[C@H](C)O 22a_100000741168_217856618621 [0,2,0,0,0,0|1,1,0]=4 2267 B9R0.7 CC(C)OCC(=O)C(C)C 1458a_100000745533_100000210206 [0,2,0,0,0,0|1,0,0]=3 2268 B9R0.7 CC(C)OCC(=O)C(C)C 34a_100000212225_100000753385 [0,2,0,0,0,0|1,0,0]=3 2269 B9R0.7 CC(C)OCC(=O)N(C)C 11a_100102631434_100000745533 [0,2,0,0,0,0|2,0,0]=4 2270 B9R0.7 CC(C)OCC(=O)N(C)C 1626a_100102631434_100000745533 [0,2,0,0,0,0|2,0,0]=4 2271 B9R0.7 CC(C)OCC(=O)N(C)C 240690a_100102631434_100000745533 [0,2,0,0,0,0|2,0,0]=4 2272 B9R0.7 CC(C)OCC(=O)N(C)C 34a_100000212225_100000692301 [0,2,0,0,0,0|2,0,0]=4 2273 B9R0.7 CC(C)OCC(=O)N(C)C 527a_100102631434_100000745533 [0,2,0,0,0,0|2,0,0]=4 2274 B9R0.7 CC(C)SCC(=O)C(C)C 1458a_100000241585_100000210206 [0,2,0,0,0,0|1,1,0]=4 2275 B9R0.7 CC(C)SCC(=O)C(C)C 62a_100000210206_100000753385 [0,2,0,0,0,0|1,1,0]=4 2276 B9R0.7 CC(C)SCC(=O)C(C)C 62a_100000753385_100000210206 [0,2,0,0,0,0|1,1,0]=4 2277 B9R0.7 CC(F)C(=O)NCC(F)F 11a_100000765723_100000062450 [0,2,0,0,0,0|2,0,0]=4 2278 B9R0.7 CC(F)C(=O)NCC(F)F 1626a_100000765723_100000062450 [0,2,0,0,0,0|2,0,0]=4 2279 B9R0.7 CC(F)C(=O)NCC(F)F 240690a_100000765723_100000062450 [0,2,0,0,0,0|2,0,0]=4 2280 B9R0.7 CC(F)C(=O)NCC(F)F 527a_100000765723_100000062450 [0,2,0,0,0,0|2,0,0]=4 2281 B9R0.7 CC(O)CCC(=O)C(C)C 1458a_100000210198_100012276601 [0,2,0,0,0,0|2,0,0]=4 2282 B9R0.7 CC(O)CCC(=O)C(C)F 1458a_100000062450_100012276601 [0,2,0,0,0,0|2,0,0]=4 2283 B9R0.7 CC(O)CCC(=O)[C@@H](C)O 1458a_100000717761_100012276601 [0,2,0,0,0,0|1,1,0]=4 2284 B9R0.7 CC(O)CCC(=O)[C@H](C)O 1458a_217856618621_100012276601 [0,2,0,0,0,0|1,1,0]=4 2285 B9R0.7 CC(O)CNC(=O)C(C)C 11a_100000210904_100000210198 [0,2,0,0,0,0|2,0,0]=4 2286 B9R0.7 CC(O)CNC(=O)C(C)C 240690a_100000210904_100000210198 [0,2,0,0,0,0|2,0,0]=4 2287 B9R0.7 CC(O)CNC(=O)C(C)C 527a_100000210904_100000210198 [0,2,0,0,0,0|2,0,0]=4 2288 B9R0.7 CC(O)CNC(=O)C(C)F 11a_100000210904_100000062450 [0,2,0,0,0,0|2,0,0]=4 2289 B9R0.7 CC(O)CNC(=O)C(C)F 240690a_100000210904_100000062450 [0,2,0,0,0,0|2,0,0]=4 2290 B9R0.7 CC(O)CNC(=O)C(C)F 527a_100000210904_100000062450 [0,2,0,0,0,0|2,0,0]=4 2291 B9R0.7 CC(O)CNC(=O)[C@@H](C)O 240690a_100000210904_100000717761 [0,2,0,0,0,0|1,1,0]=4 2292 B9R0.7 CC(O)CNC(=O)[C@H](C)O 240690a_100000210904_217856618621 [0,2,0,0,0,0|1,1,0]=4 2293 B9R0.7 C[C@@H](O)C(=O)NCC(F)F 240690a_100000765723_100000717761 [0,2,0,0,0,0|1,1,0]=4 2294 B9R0.7 C[C@H](O)C(=O)NCC(F)F 1626a_100000765723_217856618621 [0,2,0,0,0,0|1,1,0]=4 2295 B9R0.7 C[C@H](O)C(=O)NCC(F)F 240690a_100000765723_217856618621 [0,2,0,0,0,0|1,1,0]=4 2296 B9R0.42 C#CC(C)NC(=O)C(C)C 11a_100000707721_100000210198 [0,2,0,0,0,0|2,0,0]=4 2297 B9R0.42 C#CC(C)NC(=O)C(C)C 1626a_100000707721_100000210198 [0,2,0,0,0,0|2,0,0]=4 2298 B9R0.42 C#CC(C)NC(=O)C(C)C 240690a_100000707721_100000210198 [0,2,0,0,0,0|2,0,0]=4 2299 B9R0.42 C#CC(C)NC(=O)C(C)C 527a_100000707721_100000210198 [0,2,0,0,0,0|2,0,0]=4 2300 B9R0.42 C#CC(C)NC(=O)C(C)F 11a_100000707721_100000062450 [0,2,0,0,0,0|2,0,0]=4 2301 B9R0.42 C#CC(C)NC(=O)C(C)F 1626a_100000707721_100000062450 [0,2,0,0,0,0|2,0,0]=4 2302 B9R0.42 C#CC(C)NC(=O)C(C)F 240690a_100000707721_100000062450 [0,2,0,0,0,0|2,0,0]=4 2303 B9R0.42 C#CC(C)NC(=O)C(C)F 527a_100000707721_100000062450 [0,2,0,0,0,0|2,0,0]=4 2304 B9R0.42 C#CC(C)NC(=O)[C@@H](C)O 240690a_100000707721_100000717761 [0,2,0,0,0,0|1,1,0]=4 2305 B9R0.42 C#CC(C)NC(=O)[C@H](C)O 1626a_100000707721_217856618621 [0,2,0,0,0,0|1,1,0]=4 2306 B9R0.42 C#CC(C)NC(=O)[C@H](C)O 240690a_100000707721_217856618621 [0,2,0,0,0,0|1,1,0]=4 2307 B9R0.42 C=CC(C)CC(=O)C(C)C 1458a_100011934298_100000210206 [0,2,0,0,0,0|2,0,0]=4 2308 B9R0.42 CC(C#N)NC(=O)C(C)C 11a_100000737613_100000210198 [0,2,0,0,0,0|2,0,0]=4 2309 B9R0.42 CC(C#N)NC(=O)C(C)C 1626a_100000737613_100000210198 [0,2,0,0,0,0|2,0,0]=4 2310 B9R0.42 CC(C#N)NC(=O)C(C)C 527a_100000737613_100000210198 [0,2,0,0,0,0|2,0,0]=4 2311 B9R0.42 CC(C#N)NC(=O)C(C)F 11a_100000737613_100000062450 [0,2,0,0,0,0|2,0,0]=4 2312 B9R0.42 CC(C#N)NC(=O)C(C)F 1626a_100000737613_100000062450 [0,2,0,0,0,0|2,0,0]=4 2313 B9R0.42 CC(C#N)NC(=O)C(C)F 527a_100000737613_100000062450 [0,2,0,0,0,0|2,0,0]=4 2314 B9R0.42 CC(C#N)NC(=O)[C@H](C)O 1626a_100000737613_217856618621 [0,2,0,0,0,0|1,1,0]=4 2315 B9R0.42 CC(C)C(=O)C[C@@H](C)CO 1458a_100000210198_100000059175 [0,2,0,0,0,0|2,0,0]=4 2316 B9R0.42 CC(C)C(=O)N[C@H](C)CF 11a_100102880703_100000210198 [0,2,0,0,0,0|2,0,0]=4 2317 B9R0.42 CC(C)C(=O)N[C@H](C)CF 1626a_100102880703_100000210198 [0,2,0,0,0,0|2,0,0]=4 2318 B9R0.42 CC(C)C(=O)N[C@H](C)CF 240690a_100102880703_100000210198 [0,2,0,0,0,0|2,0,0]=4 2319 B9R0.42 CC(C)C(=O)N[C@H](C)CF 527a_100102880703_100000210198 [0,2,0,0,0,0|2,0,0]=4 2320 B9R0.42 CC(C)C(=O)N[C@H](C)CO 240690a_100000737577_100000210198 [0,2,0,0,0,0|2,0,0]=4 2321 B9R0.42 CC(C)C(=O)N[C@H](C)CO 527a_100000737577_100000210198 [0,2,0,0,0,0|2,0,0]=4 2322 B9R0.42 CC(F)C(=O)C[C@@H](C)CO 1458a_100000062450_100000059175 [0,2,0,0,0,0|2,0,0]=4 2323 B9R0.42 CC(F)C(=O)N[C@H](C)CF 11a_100102880703_100000062450 [0,2,0,0,0,0|2,0,0]=4 2324 B9R0.42 CC(F)C(=O)N[C@H](C)CF 1626a_100102880703_100000062450 [0,2,0,0,0,0|2,0,0]=4 2325 B9R0.42 CC(F)C(=O)N[C@H](C)CF 240690a_100102880703_100000062450 [0,2,0,0,0,0|2,0,0]=4 2326 B9R0.42 CC(F)C(=O)N[C@H](C)CF 527a_100102880703_100000062450 [0,2,0,0,0,0|2,0,0]=4 2327 B9R0.42 CC(F)C(=O)N[C@H](C)CO 240690a_100000737577_100000062450 [0,2,0,0,0,0|2,0,0]=4 2328 B9R0.42 CC(F)C(=O)N[C@H](C)CO 527a_100000737577_100000062450 [0,2,0,0,0,0|2,0,0]=4 2329 B9R0.42 CCC(=CC(=O)C(C)C)C 1458a_100020758463_100000210206 [0,2,0,0,0,0|2,0,0]=4 2330 B9R0.42 CCC(=O)CC(=O)C(C)C 1458a_100000210198_100000747405 [0,2,0,0,0,0|2,0,0]=4 2331 B9R0.42 CCC(=O)CC(=O)C(C)C 1458a_100000210414_100000753385 [0,2,0,0,0,0|2,0,0]=4 2332 B9R0.42 CCC(=O)CC(=O)C(C)F 1458a_100000062450_100000747405 [0,2,0,0,0,0|2,0,0]=4 2333 B9R0.42 CCC(=O)CC(=O)[C@@H](C)O 1458a_100000717761_100000747405 [0,2,0,0,0,0|1,1,0]=4 2334 B9R0.42 CCC(=O)CC(=O)[C@H](C)O 1458a_217856618621_100000747405 [0,2,0,0,0,0|1,1,0]=4 2335 B9R0.42 CCC(C)CC(=O)C(C)C 1458a_100000210198_100000748023 [0,2,0,0,0,0|2,0,0]=4 2336 B9R0.42 CCC(C)CC(=O)C(C)C 1458a_100000708755_100000210206 [0,2,0,0,0,0|2,0,0]=4 2337 B9R0.42 CCC(C)CC(=O)C(C)F 1458a_100000062450_100000748023 [0,2,0,0,0,0|2,0,0]=4 2338 B9R0.42 CCC(C)CC(=O)[C@@H](C)O 1458a_100000717761_100000748023 [0,2,0,0,0,0|1,1,0]=4 2339 B9R0.42 CCC(C)CC(=O)[C@H](C)O 1458a_217856618621_100000748023 [0,2,0,0,0,0|1,1,0]=4 2340 B9R0.42 CCC(C)NC(=O)C(C)C 11a_100000209981_100000210198 [0,2,0,0,0,0|2,0,0]=4 2341 B9R0.42 CCC(C)NC(=O)C(C)C 1626a_100000209981_100000210198 [0,2,0,0,0,0|2,0,0]=4 2342 B9R0.42 CCC(C)NC(=O)C(C)C 240690a_100000209981_100000210198 [0,2,0,0,0,0|2,0,0]=4 2343 B9R0.42 CCC(C)NC(=O)C(C)C 527a_100000209981_100000210198 [0,2,0,0,0,0|2,0,0]=4 2344 B9R0.42 CCC(C)NC(=O)C(C)F 11a_100000209981_100000062450 [0,2,0,0,0,0|2,0,0]=4 2345 B9R0.42 CCC(C)NC(=O)C(C)F 1626a_100000209981_100000062450 [0,2,0,0,0,0|2,0,0]=4 2346 B9R0.42 CCC(C)NC(=O)C(C)F 240690a_100000209981_100000062450 [0,2,0,0,0,0|2,0,0]=4 2347 B9R0.42 CCC(C)NC(=O)C(C)F 527a_100000209981_100000062450 [0,2,0,0,0,0|2,0,0]=4 2348 B9R0.42 CCC(C)NC(=O)[C@@H](C)O 240690a_100000209981_100000717761 [0,2,0,0,0,0|1,1,0]=4 2349 B9R0.42 CCC(C)NC(=O)[C@H](C)O 1626a_100000209981_217856618621 [0,2,0,0,0,0|1,1,0]=4 2350 B9R0.42 CCC(C)NC(=O)[C@H](C)O 240690a_100000209981_217856618621 [0,2,0,0,0,0|1,1,0]=4 2351 B9R0.42 CCC(O)CC(=O)C(C)C 1458a_100000210198_100011218378 [0,2,0,0,0,0|2,0,0]=4 2352 B9R0.42 CCC(O)CC(=O)C(C)C 1458a_100011667805_100000210206 [0,2,0,0,0,0|2,0,0]=4 2353 B9R0.42 CCC(O)CC(=O)C(C)F 1458a_100000062450_100011218378 [0,2,0,0,0,0|2,0,0]=4 2354 B9R0.42 CCC(O)CC(=O)[C@@H](C)O 1458a_100000717761_100011218378 [0,2,0,0,0,0|1,1,0]=4 2355 B9R0.42 CCC(O)CC(=O)[C@H](C)O 1458a_217856618621_100011218378 [0,2,0,0,0,0|1,1,0]=4 2356 B9R0.42 CCN(C)CC(=O)C(C)C 1458a_100116209913_100000210206 [0,2,0,0,0,0|2,0,0]=4 2357 B9R0.42 CCN(C)CC(=O)C(C)C 2230a_100000225621_100000753385 [0,2,0,0,0,0|2,0,0]=4 2358 B9R0.42 CCN(C)CC(=O)C(C)C 269982a_100000225621_100000753385 [0,2,0,0,0,0|2,0,0]=4 2359 B9R0.42 CC[C@H](C)CC(=O)C(C)C 1458a_100000210198_100009816398 [0,2,0,0,0,0|2,0,0]=4 2360 B9R0.42 CC[C@H](C)CC(=O)C(C)F 1458a_100000062450_100009816398 [0,2,0,0,0,0|2,0,0]=4 2361 B9R0.42 CC[C@H](C)CC(=O)[C@@H](C)O 1458a_100000717761_100009816398 [0,2,0,0,0,0|1,1,0]=4 2362 B9R0.42 CC[C@H](C)CC(=O)[C@H](C)O 1458a_217856618621_100009816398 [0,2,0,0,0,0|1,1,0]=4 2363 B9R0.42 C[C@@H](CO)CC(=O)[C@@H](C)O 1458a_100000717761_100000059175 [0,2,0,0,0,0|1,1,0]=4 2364 B9R0.42 C[C@@H](CO)CC(=O)[C@H](C)O 1458a_217856618621_100000059175 [0,2,0,0,0,0|1,1,0]=4 2365 B9R0.42 C[C@H](CF)NC(=O)[C@@H](C)O 240690a_100102880703_100000717761 [0,2,0,0,0,0|1,1,0]=4 2366 B9R0.42 C[C@H](CF)NC(=O)[C@H](C)O 1626a_100102880703_217856618621 [0,2,0,0,0,0|1,1,0]=4 2367 B9R0.42 C[C@H](CF)NC(=O)[C@H](C)O 240690a_100102880703_217856618621 [0,2,0,0,0,0|1,1,0]=4 2368 B9R0.42 C[C@H](CO)NC(=O)[C@@H](C)O 240690a_100000737577_100000717761 [0,2,0,0,0,0|1,1,0]=4 2369 B9R0.42 C[C@H](CO)NC(=O)[C@H](C)O 240690a_100000737577_217856618621 [0,2,0,0,0,0|1,1,0]=4 2370 B9R0.47 C#CCCCC(=O)C(C)C 1458a_100000210198_100000731252 [0,2,0,0,0,0|2,0,0]=4 2371 B9R0.47 C#CCCCC(=O)C(C)C 1458a_100000690238_100000210206 [0,2,0,0,0,0|2,0,0]=4 2372 B9R0.47 C#CCCCC(=O)C(C)F 1458a_100000062450_100000731252 [0,2,0,0,0,0|2,0,0]=4 2373 B9R0.47 C#CCCCC(=O)[C@@H](C)O 1458a_100000717761_100000731252 [0,2,0,0,0,0|1,1,0]=4 2374 B9R0.47 C#CCCCC(=O)[C@H](C)O 1458a_217856618621_100000731252 [0,2,0,0,0,0|1,1,0]=4 2375 B9R0.47 C#CCCNC(=O)C(C)C 11a_100000755551_100000210198 [0,2,0,0,0,0|2,0,0]=4 2376 B9R0.47 C#CCCNC(=O)C(C)C 1626a_100000755551_100000210198 [0,2,0,0,0,0|2,0,0]=4 2377 B9R0.47 C#CCCNC(=O)C(C)C 240690a_100000755551_100000210198 [0,2,0,0,0,0|2,0,0]=4 2378 B9R0.47 C#CCCNC(=O)C(C)C 527a_100000755551_100000210198 [0,2,0,0,0,0|2,0,0]=4 2379 B9R0.47 C#CCCNC(=O)C(C)F 11a_100000755551_100000062450 [0,2,0,0,0,0|2,0,0]=4 2380 B9R0.47 C#CCCNC(=O)C(C)F 1626a_100000755551_100000062450 [0,2,0,0,0,0|2,0,0]=4 2381 B9R0.47 C#CCCNC(=O)C(C)F 240690a_100000755551_100000062450 [0,2,0,0,0,0|2,0,0]=4 2382 B9R0.47 C#CCCNC(=O)C(C)F 527a_100000755551_100000062450 [0,2,0,0,0,0|2,0,0]=4 2383 B9R0.47 C#CCCNC(=O)[C@@H](C)O 240690a_100000755551_100000717761 [0,2,0,0,0,0|1,1,0]=4 2384 B9R0.47 C#CCCNC(=O)[C@H](C)O 1626a_100000755551_217856618621 [0,2,0,0,0,0|1,1,0]=4 2385 B9R0.47 C#CCCNC(=O)[C@H](C)O 240690a_100000755551_217856618621 [0,2,0,0,0,0|1,1,0]=4 2386 B9R0.47 C#CCOCC(=O)C(C)C 1458a_100011251226_100000210206 [0,2,0,0,0,0|1,0,1]=4 2387 B9R0.47 C#CCOCC(=O)C(C)C 34a_100000210247_100000753385 [0,2,0,0,0,0|1,0,1]=4 2388 B9R0.47 C=C(C)C(=O)CCOCC 1458a_100000185857_100011215890 [0,2,0,0,0,0|1,0,1]=4 2389 B9R0.47 C=C(C)C(=O)OCCNC 2230a_106832991635_100009816335 [0,2,0,0,0,0|1,0,1]=4 2390 B9R0.47 C=C(C)C(=O)OCCNC 34a_100102657272_100009816335 [0,2,0,0,0,0|1,0,1]=4 2391 B9R0.47 C=C(C)C(=O)OCCNC 7a_106832991635_100009816335 [0,2,0,0,0,0|1,0,1]=4 2392 B9R0.47 C=C(C)C(=O)OCCOC 34a_100138415774_100009816335 [0,2,0,0,0,0|1,0,1]=4 2393 B9R0.47 C=C(C)C(=O)OCCSC 62a_100009816335_200000210301 [0,2,0,0,0,0|1,0,1]=4 2394 B9R0.47 C=C(C)C(=O)OCCSC 62a_200000210301_100009816335 [0,2,0,0,0,0|1,0,1]=4 2395 B9R0.47 C=C(C)C(=O)OCCS[13CH3] 62a_100009816335_200025704644 [0,2,0,0,0,0|1,0,1]=4 2396 B9R0.47 C=C(C)C(=O)OCCS[13CH3] 62a_200025704644_100009816335 [0,2,0,0,0,0|1,0,1]=4 2397 B9R0.47 C=CCCCC(=O)C(C)C 1458a_100000210198_100000757094 [0,2,0,0,0,0|2,0,0]=4 2398 B9R0.47 C=CCCCC(=O)C(C)C 1458a_100000766728_100000210206 [0,2,0,0,0,0|2,0,0]=4 2399 B9R0.47 C=CCCCC(=O)C(C)F 1458a_100000062450_100000757094 [0,2,0,0,0,0|2,0,0]=4 2400 B9R0.47 C=CCCCC(=O)[C@@H](C)O 1458a_100000717761_100000757094 [0,2,0,0,0,0|1,1,0]=4 2401 B9R0.47 C=CCCCC(=O)[C@H](C)O 1458a_217856618621_100000757094 [0,2,0,0,0,0|1,1,0]=4 2402 B9R0.47 C=CCCNC(=O)C(C)C 11a_100015191253_100000210198 [0,2,0,0,0,0|2,0,0]=4 2403 B9R0.47 C=CCCNC(=O)C(C)C 1626a_100015191253_100000210198 [0,2,0,0,0,0|2,0,0]=4 2404 B9R0.47 C=CCCNC(=O)C(C)C 240690a_100015191253_100000210198 [0,2,0,0,0,0|2,0,0]=4 2405 B9R0.47 C=CCCNC(=O)C(C)C 527a_100015191253_100000210198 [0,2,0,0,0,0|2,0,0]=4 2406 B9R0.47 C=CCCNC(=O)C(C)F 11a_100015191253_100000062450 [0,2,0,0,0,0|2,0,0]=4 2407 B9R0.47 C=CCCNC(=O)C(C)F 1626a_100015191253_100000062450 [0,2,0,0,0,0|2,0,0]=4 2408 B9R0.47 C=CCCNC(=O)C(C)F 240690a_100015191253_100000062450 [0,2,0,0,0,0|2,0,0]=4 2409 B9R0.47 C=CCCNC(=O)C(C)F 527a_100015191253_100000062450 [0,2,0,0,0,0|2,0,0]=4 2410 B9R0.47 C=CCCNC(=O)[C@@H](C)O 240690a_100015191253_100000717761 [0,2,0,0,0,0|1,1,0]=4 2411 B9R0.47 C=CCCNC(=O)[C@H](C)O 1626a_100015191253_217856618621 [0,2,0,0,0,0|1,1,0]=4 2412 B9R0.47 C=CCCNC(=O)[C@H](C)O 240690a_100015191253_217856618621 [0,2,0,0,0,0|1,1,0]=4 2413 B9R0.47 C=CCOCC(=O)C(C)C 34a_200000210373_100000753385 [0,2,0,0,0,0|1,0,1]=4 2414 B9R0.47 CC#CCNC(=O)C(C)C 11a_100000685387_100000210198 [0,2,0,0,0,0|2,0,0]=4 2415 B9R0.47 CC#CCNC(=O)C(C)C 1626a_100000685387_100000210198 [0,2,0,0,0,0|2,0,0]=4 2416 B9R0.47 CC#CCNC(=O)C(C)C 527a_100000685387_100000210198 [0,2,0,0,0,0|2,0,0]=4 2417 B9R0.47 CC#CCNC(=O)C(C)F 11a_100000685387_100000062450 [0,2,0,0,0,0|2,0,0]=4 2418 B9R0.47 CC#CCNC(=O)C(C)F 1626a_100000685387_100000062450 [0,2,0,0,0,0|2,0,0]=4 2419 B9R0.47 CC#CCNC(=O)C(C)F 527a_100000685387_100000062450 [0,2,0,0,0,0|2,0,0]=4 2420 B9R0.47 CC#CCNC(=O)[C@H](C)O 1626a_100000685387_217856618621 [0,2,0,0,0,0|1,1,0]=4 2421 B9R0.47 CC(=O)C(=O)COCCBr 34a_100000211926_100011261029 [0,2,0,0,0,0|0,1,1]=4 2422 B9R0.47 CC(=O)C(=O)COCCN 34a_100000210304_100011261029 [0,2,0,0,0,0|0,1,1]=4 2423 B9R0.47 CC(C)C(=O)CCCC#N 1458a_100000075515_100000210206 [0,2,0,0,0,0|2,0,0]=4 2424 B9R0.47 CC(C)C(=O)CCCC#N 1458a_100000210198_100000211468 [0,2,0,0,0,0|2,0,0]=4 2425 B9R0.47 CC(C)C(=O)CCCCF 1458a_100000210198_100000729493 [0,2,0,0,0,0|2,0,0]=4 2426 B9R0.47 CC(C)C(=O)CCCCO 1458a_100000210198_100000210776 [0,2,0,0,0,0|2,0,0]=4 2427 B9R0.47 CC(C)C(=O)CCCCO 1458a_100000695505_100000210206 [0,2,0,0,0,0|2,0,0]=4 2428 B9R0.47 CC(C)C(=O)CNCCF 34a_100000724931_100000753385 [0,2,0,0,0,0|2,0,0]=4 2429 B9R0.47 CC(C)C(=O)CNCCO 2230a_100016997473_100000753385 [0,2,0,0,0,0|2,0,0]=4 2430 B9R0.47 CC(C)C(=O)CNCCO 34a_100016990907_100000753385 [0,2,0,0,0,0|2,0,0]=4 2431 B9R0.47 CC(C)C(=O)COCCBr 34a_100000211926_100000753385 [0,2,0,0,0,0|1,0,0]=3 2432 B9R0.47 CC(C)C(=O)COCCN 34a_100000210304_100000753385 [0,2,0,0,0,0|1,0,0]=3 2433 B9R0.47 CC(C)C(=O)COCCO 1458a_100000708028_100000210206 [0,2,0,0,0,0|1,0,0]=3 2434 B9R0.47 CC(C)C(=O)CSCCF 62a_100000753385_100011217306 [0,2,0,0,0,0|1,1,0]=4 2435 B9R0.47 CC(C)C(=O)CSCCF 62a_100011217306_100000753385 [0,2,0,0,0,0|1,1,0]=4 2436 B9R0.47 CC(C)C(=O)CSCCO 62a_100000211926_100000753385 [0,2,0,0,0,0|1,1,0]=4 2437 B9R0.47 CC(C)C(=O)CSCCO 62a_100000753385_100000211926 [0,2,0,0,0,0|1,1,0]=4 2438 B9R0.47 CC(C)C(=O)NCCC#N 11a_100000720768_100000210198 [0,2,0,0,0,0|2,0,0]=4 2439 B9R0.47 CC(C)C(=O)NCCC#N 1626a_100000720768_100000210198 [0,2,0,0,0,0|2,0,0]=4 2440 B9R0.47 CC(C)C(=O)NCCC#N 240690a_100000720768_100000210198 [0,2,0,0,0,0|2,0,0]=4 2441 B9R0.47 CC(C)C(=O)NCCC#N 527a_100000720768_100000210198 [0,2,0,0,0,0|2,0,0]=4 2442 B9R0.47 CC(C)C(=O)NCCCF 11a_100015189416_100000210198 [0,2,0,0,0,0|2,0,0]=4 2443 B9R0.47 CC(C)C(=O)NCCCF 1626a_100015189416_100000210198 [0,2,0,0,0,0|2,0,0]=4 2444 B9R0.47 CC(C)C(=O)NCCCF 240690a_100015189416_100000210198 [0,2,0,0,0,0|2,0,0]=4 2445 B9R0.47 CC(C)C(=O)NCCCF 527a_100015189416_100000210198 [0,2,0,0,0,0|2,0,0]=4 2446 B9R0.47 CC(C)C(=O)NCCCO 240690a_100000182051_100000210198 [0,2,0,0,0,0|2,0,0]=4 2447 B9R0.47 CC(C)C(=O)NCCCO 527a_100000182051_100000210198 [0,2,0,0,0,0|2,0,0]=4 2448 B9R0.47 CC(C)C(=O)NCCN[13CH3] 2230a_100000752568_200025704644 [0,2,0,0,0,0|2,0,0]=4 2449 B9R0.47 CC(C)C(=O)NCCN[13CH3] 34a_100000752568_200025704644 [0,2,0,0,0,0|2,0,0]=4 2450 B9R0.47 CC(C)C(=O)NNCCO 22a_100000210001_100000210198 [0,2,0,0,0,0|2,0,0]=4 2451 B9R0.47 CC(C)C(=O)OCSCF 62a_100000139345_100015361967 [0,2,0,0,0,0|1,0,0]=3 2452 B9R0.47 CC(C)C(=O)OCSCF 62a_100015361967_100000139345 [0,2,0,0,0,0|1,0,0]=3 2453 B9R0.47 CC(F)C(=O)CCCC#N 1458a_100000062450_100000211468 [0,2,0,0,0,0|2,0,0]=4 2454 B9R0.47 CC(F)C(=O)CCCCF 1458a_100000062450_100000729493 [0,2,0,0,0,0|2,0,0]=4 2455 B9R0.47 CC(F)C(=O)CCCCO 1458a_100000062450_100000210776 [0,2,0,0,0,0|2,0,0]=4 2456 B9R0.47 CC(F)C(=O)NCCC#N 11a_100000720768_100000062450 [0,2,0,0,0,0|2,0,0]=4 2457 B9R0.47 CC(F)C(=O)NCCC#N 1626a_100000720768_100000062450 [0,2,0,0,0,0|2,0,0]=4 2458 B9R0.47 CC(F)C(=O)NCCC#N 240690a_100000720768_100000062450 [0,2,0,0,0,0|2,0,0]=4 2459 B9R0.47 CC(F)C(=O)NCCC#N 527a_100000720768_100000062450 [0,2,0,0,0,0|2,0,0]=4 2460 B9R0.47 CC(F)C(=O)NCCCF 11a_100015189416_100000062450 [0,2,0,0,0,0|2,0,0]=4 2461 B9R0.47 CC(F)C(=O)NCCCF 1626a_100015189416_100000062450 [0,2,0,0,0,0|2,0,0]=4 2462 B9R0.47 CC(F)C(=O)NCCCF 240690a_100015189416_100000062450 [0,2,0,0,0,0|2,0,0]=4 2463 B9R0.47 CC(F)C(=O)NCCCF 527a_100015189416_100000062450 [0,2,0,0,0,0|2,0,0]=4 2464 B9R0.47 CC(F)C(=O)NCCCO 240690a_100000182051_100000062450 [0,2,0,0,0,0|2,0,0]=4 2465 B9R0.47 CC(F)C(=O)NCCCO 527a_100000182051_100000062450 [0,2,0,0,0,0|2,0,0]=4 2466 B9R0.47 CC(F)C(=O)NNCCO 22a_100000210001_100000062450 [0,2,0,0,0,0|2,0,0]=4 2467 B9R0.47 CC/C=C/CC(=O)C(C)C 1458a_100016274230_100000210206 [0,2,0,0,0,0|2,0,0]=4 2468 B9R0.47 CC/C=C\CC(=O)C(C)C 1458a_100000210198_100103147603 [0,2,0,0,0,0|2,0,0]=4 2469 B9R0.47 CC/C=C\CC(=O)C(C)F 1458a_100000062450_100103147603 [0,2,0,0,0,0|2,0,0]=4 2470 B9R0.47 CC/C=C\CC(=O)[C@@H](C)O 1458a_100000717761_100103147603 [0,2,0,0,0,0|1,1,0]=4 2471 B9R0.47 CC/C=C\CC(=O)[C@H](C)O 1458a_217856618621_100103147603 [0,2,0,0,0,0|1,1,0]=4 2472 B9R0.47 CCC#CCC(=O)C(C)C 1458a_100000210198_100009813939 [0,2,0,0,0,0|2,0,0]=4 2473 B9R0.47 CCC#CCC(=O)C(C)F 1458a_100000062450_100009813939 [0,2,0,0,0,0|2,0,0]=4 2474 B9R0.47 CCC#CCC(=O)[C@@H](C)O 1458a_100000717761_100009813939 [0,2,0,0,0,0|1,1,0]=4 2475 B9R0.47 CCC#CCC(=O)[C@H](C)O 1458a_217856618621_100009813939 [0,2,0,0,0,0|1,1,0]=4 2476 B9R0.47 CCC=NNC(=O)C(C)C 4a_100000184118_100000210100 [0,2,0,0,0,0|2,0,0]=4 2477 B9R0.47 CCCC#CC(=O)C(C)C 1458a_200011218047_100000210206 [0,2,0,0,0,0|2,0,0]=4 2478 B9R0.47 CCCC=CC(=O)C(C)C 1458a_100000212230_100000210206 [0,2,0,0,0,0|2,0,0]=4 2479 B9R0.47 CCCCCC(=O)C(C)C 1458a_100000210198_100000210326 [0,2,0,0,0,0|2,0,0]=4 2480 B9R0.47 CCCCCC(=O)C(C)C 1458a_100000212188_100000210206 [0,2,0,0,0,0|2,0,0]=4 2481 B9R0.47 CCCCCC(=O)C(C)F 1458a_100000062450_100000210326 [0,2,0,0,0,0|2,0,0]=4 2482 B9R0.47 CCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210326 [0,2,0,0,0,0|1,1,0]=4 2483 B9R0.47 CCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210326 [0,2,0,0,0,0|1,1,0]=4 2484 B9R0.47 CCCCNC(=O)C(C)C 11a_100000102301_100000210198 [0,2,0,0,0,0|2,0,0]=4 2485 B9R0.47 CCCCNC(=O)C(C)C 1626a_100000102301_100000210198 [0,2,0,0,0,0|2,0,0]=4 2486 B9R0.47 CCCCNC(=O)C(C)C 240690a_100000102301_100000210198 [0,2,0,0,0,0|2,0,0]=4 2487 B9R0.47 CCCCNC(=O)C(C)C 527a_100000102301_100000210198 [0,2,0,0,0,0|2,0,0]=4 2488 B9R0.47 CCCCNC(=O)C(C)F 11a_100000102301_100000062450 [0,2,0,0,0,0|2,0,0]=4 2489 B9R0.47 CCCCNC(=O)C(C)F 1626a_100000102301_100000062450 [0,2,0,0,0,0|2,0,0]=4 2490 B9R0.47 CCCCNC(=O)C(C)F 240690a_100000102301_100000062450 [0,2,0,0,0,0|2,0,0]=4 2491 B9R0.47 CCCCNC(=O)C(C)F 527a_100000102301_100000062450 [0,2,0,0,0,0|2,0,0]=4 2492 B9R0.47 CCCCNC(=O)[C@@H](C)O 240690a_100000102301_100000717761 [0,2,0,0,0,0|1,1,0]=4 2493 B9R0.47 CCCCNC(=O)[C@H](C)O 1626a_100000102301_217856618621 [0,2,0,0,0,0|1,1,0]=4 2494 B9R0.47 CCCCNC(=O)[C@H](C)O 240690a_100000102301_217856618621 [0,2,0,0,0,0|1,1,0]=4 2495 B9R0.47 CCCNNC(=O)C(C)C 22a_100000740057_100000210198 [0,2,0,0,0,0|2,0,0]=4 2496 B9R0.47 CCCNNC(=O)C(C)F 22a_100000740057_100000062450 [0,2,0,0,0,0|2,0,0]=4 2497 B9R0.47 CCCNNC(=O)[C@@H](C)O 22a_100000740057_100000717761 [0,2,0,0,0,0|1,1,0]=4 2498 B9R0.47 CCCNNC(=O)[C@H](C)O 22a_100000740057_217856618621 [0,2,0,0,0,0|1,1,0]=4 2499 B9R0.47 CCCOCC(=O)C(=O)C 34a_100000210258_100011261029 [0,2,0,0,0,0|0,1,1]=4 2500 B9R0.47 CCCOCC(=O)C(C)C 1458a_100000745993_100000210206 [0,2,0,0,0,0|1,0,0]=3 2501 B9R0.47 CCCOCC(=O)C(C)C 34a_100000210258_100000753385 [0,2,0,0,0,0|1,0,0]=3 2502 B9R0.47 CCCOCC(=O)N(C)C 11a_100102631434_100000745993 [0,2,0,0,0,0|2,0,0]=4 2503 B9R0.47 CCCOCC(=O)N(C)C 1626a_100102631434_100000745993 [0,2,0,0,0,0|2,0,0]=4 2504 B9R0.47 CCCOCC(=O)N(C)C 240690a_100102631434_100000745993 [0,2,0,0,0,0|2,0,0]=4 2505 B9R0.47 CCCOCC(=O)N(C)C 34a_100000210258_100000692301 [0,2,0,0,0,0|2,0,0]=4 2506 B9R0.47 CCCOCC(=O)N(C)C 527a_100102631434_100000745993 [0,2,0,0,0,0|2,0,0]=4 2507 B9R0.47 CCCSCC(=O)C(C)C 1458a_100000217233_100000210206 [0,2,0,0,0,0|1,1,0]=4 2508 B9R0.47 CCCSCC(=O)C(C)C 62a_100000210303_100000753385 [0,2,0,0,0,0|1,1,0]=4 2509 B9R0.47 CCCSCC(=O)C(C)C 62a_100000753385_100000210303 [0,2,0,0,0,0|1,1,0]=4 2510 B9R0.47 CCOC=CC(=O)C(C)C 1458a_100016266692_100000210206 [0,2,0,0,0,0|1,0,0]=3 2511 B9R0.47 CCOC=CC(=O)N(C)C 11a_100102631434_100016266692 [0,2,0,0,0,0|2,0,0]=4 2512 B9R0.47 CCOC=CC(=O)N(C)C 1626a_100102631434_100016266692 [0,2,0,0,0,0|2,0,0]=4 2513 B9R0.47 CCOC=CC(=O)N(C)C 240690a_100102631434_100016266692 [0,2,0,0,0,0|2,0,0]=4 2514 B9R0.47 CCOCCC(=O)C(C)C 1458a_100000210198_100011215890 [0,2,0,0,0,0|1,0,0]=3 2515 B9R0.47 CCOCCC(=O)C(C)C 1458a_100000749530_100000210206 [0,2,0,0,0,0|1,0,0]=3 2516 B9R0.47 CCOCCC(=O)C(C)F 1458a_100000062450_100011215890 [0,2,0,0,0,0|1,0,0]=3 2517 B9R0.47 CCOCCC(=O)C(O)O 1458a_100000233687_100011215890 [0,2,0,0,0,0|1,1,0]=4 2518 B9R0.47 CCOCCC(=O)N(C)C 11a_100102631434_100000749530 [0,2,0,0,0,0|2,0,0]=4 2519 B9R0.47 CCOCCC(=O)N(C)C 1626a_100102631434_100000749530 [0,2,0,0,0,0|2,0,0]=4 2520 B9R0.47 CCOCCC(=O)N(C)C 240690a_100102631434_100000749530 [0,2,0,0,0,0|2,0,0]=4 2521 B9R0.47 CCOCCC(=O)N(C)C 34a_200000747469_100000210202 [0,2,0,0,0,0|2,0,0]=4 2522 B9R0.47 CCOCCC(=O)N(C)C 527a_100102631434_100000749530 [0,2,0,0,0,0|2,0,0]=4 2523 B9R0.47 CCOCCC(=O)[C@@H](C)O 1458a_100000717761_100011215890 [0,2,0,0,0,0|0,1,0]=3 2524 B9R0.47 CCOCCC(=O)[C@H](C)O 1458a_217856618621_100011215890 [0,2,0,0,0,0|0,1,0]=3 2525 B9R0.47 CCSCCC(=O)C(C)C 1458a_100000210198_100000757381 [0,2,0,0,0,0|1,1,0]=4 2526 B9R0.47 CCSCCC(=O)C(C)C 1458a_100000230768_100000210206 [0,2,0,0,0,0|1,1,0]=4 2527 B9R0.47 CCSCCC(=O)C(C)F 1458a_100000062450_100000757381 [0,2,0,0,0,0|1,1,0]=4 2528 B9R0.47 CCSCCC(=O)[C@@H](C)O 1458a_100000717761_100000757381 [0,2,0,0,0,0|0,2,0]=4 2529 B9R0.47 CCSCCC(=O)[C@H](C)O 1458a_217856618621_100000757381 [0,2,0,0,0,0|0,2,0]=4 2530 B9R0.47 CCSCOC(=O)C(C)C 62a_100000139345_100000210202 [0,2,0,0,0,0|1,0,0]=3 2531 B9R0.47 CCSCOC(=O)C(C)C 62a_100000210202_100000139345 [0,2,0,0,0,0|1,0,0]=3 2532 B9R0.47 CN(C)C(=O)COCCBr 34a_100000211926_100000692301 [0,2,0,0,0,0|2,0,0]=4 2533 B9R0.47 CN(C)C(=O)COCCN 34a_100000210304_100000692301 [0,2,0,0,0,0|2,0,0]=4 2534 B9R0.47 CN(C)C(=O)COCCO 1626a_100102631434_100000708028 [0,2,0,0,0,0|2,0,0]=4 2535 B9R0.47 CN(C)C(=O)COCCO 240690a_100102631434_100000708028 [0,2,0,0,0,0|2,0,0]=4 2536 B9R0.47 CNCCNC(=O)C(C)C 2230a_100000752568_200000210301 [0,2,0,0,0,0|2,0,0]=4 2537 B9R0.47 CNCCNC(=O)C(C)C 34a_100000752568_200000210301 [0,2,0,0,0,0|2,0,0]=4 2538 B9R0.47 COCC=CC(=O)C(C)C 1458a_100016285016_100000210206 [0,2,0,0,0,0|2,0,0]=4 2539 B9R0.47 COCCCC(=O)C(C)C 1458a_100000210198_100000740836 [0,2,0,0,0,0|2,0,0]=4 2540 B9R0.47 COCCCC(=O)C(C)C 1458a_100000741012_100000210206 [0,2,0,0,0,0|2,0,0]=4 2541 B9R0.47 COCCCC(=O)C(C)F 1458a_100000062450_100000740836 [0,2,0,0,0,0|2,0,0]=4 2542 B9R0.47 COCCCC(=O)[C@@H](C)O 1458a_100000717761_100000740836 [0,2,0,0,0,0|1,1,0]=4 2543 B9R0.47 COCCCC(=O)[C@H](C)O 1458a_217856618621_100000740836 [0,2,0,0,0,0|1,1,0]=4 2544 B9R0.47 COCCNC(=O)C(C)C 1626a_100000209980_100000210198 [0,2,0,0,0,0|2,0,0]=4 2545 B9R0.47 COCCNC(=O)C(C)C 240690a_100000209980_100000210198 [0,2,0,0,0,0|2,0,0]=4 2546 B9R0.47 COCCNC(=O)C(C)C 527a_100000209980_100000210198 [0,2,0,0,0,0|2,0,0]=4 2547 B9R0.47 COCCNC(=O)C(C)F 1626a_100000209980_100000062450 [0,2,0,0,0,0|2,0,0]=4 2548 B9R0.47 COCCNC(=O)C(C)F 240690a_100000209980_100000062450 [0,2,0,0,0,0|2,0,0]=4 2549 B9R0.47 COCCNC(=O)C(C)F 527a_100000209980_100000062450 [0,2,0,0,0,0|2,0,0]=4 2550 B9R0.47 COCCNC(=O)[C@@H](C)O 240690a_100000209980_100000717761 [0,2,0,0,0,0|1,1,0]=4 2551 B9R0.47 COCCNC(=O)[C@H](C)O 1626a_100000209980_217856618621 [0,2,0,0,0,0|1,1,0]=4 2552 B9R0.47 COCCNC(=O)[C@H](C)O 240690a_100000209980_217856618621 [0,2,0,0,0,0|1,1,0]=4 2553 B9R0.47 COCSCC(=O)C(C)C 62a_100000753385_100000766300 [0,2,0,0,0,0|1,1,0]=4 2554 B9R0.47 COCSCC(=O)C(C)C 62a_100000766300_100000753385 [0,2,0,0,0,0|1,1,0]=4 2555 B9R0.47 CSCCCC(=O)C(C)C 1458a_100000173376_100000210206 [0,2,0,0,0,0|2,0,0]=4 2556 B9R0.47 CSCCNC(=O)C(C)C 11a_100020590264_100000210198 [0,2,0,0,0,0|2,0,0]=4 2557 B9R0.47 CSCCNC(=O)C(C)C 1626a_100020590264_100000210198 [0,2,0,0,0,0|2,0,0]=4 2558 B9R0.47 CSCCNC(=O)C(C)C 240690a_100020590264_100000210198 [0,2,0,0,0,0|2,0,0]=4 2559 B9R0.47 CSCCNC(=O)C(C)C 527a_100020590264_100000210198 [0,2,0,0,0,0|2,0,0]=4 2560 B9R0.47 CSCCNC(=O)C(C)F 11a_100020590264_100000062450 [0,2,0,0,0,0|2,0,0]=4 2561 B9R0.47 CSCCNC(=O)C(C)F 1626a_100020590264_100000062450 [0,2,0,0,0,0|2,0,0]=4 2562 B9R0.47 CSCCNC(=O)C(C)F 240690a_100020590264_100000062450 [0,2,0,0,0,0|2,0,0]=4 2563 B9R0.47 CSCCNC(=O)C(C)F 527a_100020590264_100000062450 [0,2,0,0,0,0|2,0,0]=4 2564 B9R0.47 CSCCNC(=O)[C@@H](C)O 240690a_100020590264_100000717761 [0,2,0,0,0,0|1,1,0]=4 2565 B9R0.47 CSCCNC(=O)[C@H](C)O 1626a_100020590264_217856618621 [0,2,0,0,0,0|1,1,0]=4 2566 B9R0.47 CSCCNC(=O)[C@H](C)O 240690a_100020590264_217856618621 [0,2,0,0,0,0|1,1,0]=4 2567 B9R0.47 CSCSCC(=O)C(C)C 62a_100000753385_100011218213 [0,2,0,0,0,0|1,1,0]=4 2568 B9R0.47 CSCSCC(=O)C(C)C 62a_100011218213_100000753385 [0,2,0,0,0,0|1,1,0]=4 2569 B9R0.47 C[C@@H](O)C(=O)CCCC#N 1458a_100000717761_100000211468 [0,2,0,0,0,0|1,1,0]=4 2570 B9R0.47 C[C@@H](O)C(=O)CCCCF 1458a_100000717761_100000729493 [0,2,0,0,0,0|1,1,0]=4 2571 B9R0.47 C[C@@H](O)C(=O)CCCCO 1458a_100000717761_100000210776 [0,2,0,0,0,0|1,1,0]=4 2572 B9R0.47 C[C@@H](O)C(=O)NCCC#N 240690a_100000720768_100000717761 [0,2,0,0,0,0|1,1,0]=4 2573 B9R0.47 C[C@@H](O)C(=O)NCCCF 240690a_100015189416_100000717761 [0,2,0,0,0,0|1,1,0]=4 2574 B9R0.47 C[C@@H](O)C(=O)NCCCO 240690a_100000182051_100000717761 [0,2,0,0,0,0|1,1,0]=4 2575 B9R0.47 C[C@@H](O)C(=O)NNCCO 22a_100000210001_100000717761 [0,2,0,0,0,0|1,1,0]=4 2576 B9R0.47 C[C@H](O)C(=O)CCCC#N 1458a_217856618621_100000211468 [0,2,0,0,0,0|1,1,0]=4 2577 B9R0.47 C[C@H](O)C(=O)CCCCF 1458a_217856618621_100000729493 [0,2,0,0,0,0|1,1,0]=4 2578 B9R0.47 C[C@H](O)C(=O)CCCCO 1458a_217856618621_100000210776 [0,2,0,0,0,0|1,1,0]=4 2579 B9R0.47 C[C@H](O)C(=O)NCCC#N 1626a_100000720768_217856618621 [0,2,0,0,0,0|1,1,0]=4 2580 B9R0.47 C[C@H](O)C(=O)NCCC#N 240690a_100000720768_217856618621 [0,2,0,0,0,0|1,1,0]=4 2581 B9R0.47 C[C@H](O)C(=O)NCCCF 1626a_100015189416_217856618621 [0,2,0,0,0,0|1,1,0]=4 2582 B9R0.47 C[C@H](O)C(=O)NCCCF 240690a_100015189416_217856618621 [0,2,0,0,0,0|1,1,0]=4 2583 B9R0.47 C[C@H](O)C(=O)NCCCO 240690a_100000182051_217856618621 [0,2,0,0,0,0|1,1,0]=4 2584 B9R0.47 C[C@H](O)C(=O)NNCCO 22a_100000210001_217856618621 [0,2,0,0,0,0|1,1,0]=4 2585 B9R0.10 CC(C)CC(=O)C(C)(C)C 1458a_106744555173_100000210624 [0,2,0,0,0,0|2,0,0]=4 2586 B9R0.10 CC(C)CC(=O)C(C)(C)F 1458a_100000765255_100000210624 [0,2,0,0,0,0|2,0,0]=4 2587 B9R0.10 CC(C)CC(=O)C(C)(C)O 1458a_100000242741_100000210624 [0,2,0,0,0,0|1,1,0]=4 2588 B9R0.10 CC(C)NC(=O)C(C)(C)C 11a_100138425928_106744555173 [0,2,0,0,0,0|2,0,0]=4 2589 B9R0.10 CC(C)NC(=O)C(C)(C)C 1626a_100138425928_106744555173 [0,2,0,0,0,0|2,0,0]=4 2590 B9R0.10 CC(C)NC(=O)C(C)(C)C 240690a_100138425928_106744555173 [0,2,0,0,0,0|2,0,0]=4 2591 B9R0.10 CC(C)NC(=O)C(C)(C)C 527a_100138425928_106744555173 [0,2,0,0,0,0|2,0,0]=4 2592 B9R0.10 CC(C)NC(=O)C(C)(C)F 11a_100138425928_100000765255 [0,2,0,0,0,0|2,0,0]=4 2593 B9R0.10 CC(C)NC(=O)C(C)(C)F 1626a_100138425928_100000765255 [0,2,0,0,0,0|2,0,0]=4 2594 B9R0.10 CC(C)NC(=O)C(C)(C)F 240690a_100138425928_100000765255 [0,2,0,0,0,0|2,0,0]=4 2595 B9R0.10 CC(C)NC(=O)C(C)(C)F 527a_100138425928_100000765255 [0,2,0,0,0,0|2,0,0]=4 2596 B9R0.10 CC(C)NC(=O)C(C)(C)O 240690a_100138425928_100000242741 [0,2,0,0,0,0|1,1,0]=4 2597 B9R0.10 CC(C)NC(=O)C(C)(F)F 11a_100138425928_100000042251 [0,2,0,0,0,0|2,0,0]=4 2598 B9R0.10 CC(C)NC(=O)C(C)(F)F 1626a_100138425928_100000042251 [0,2,0,0,0,0|2,0,0]=4 2599 B9R0.10 CC(C)NC(=O)C(C)(F)F 240690a_100138425928_100000042251 [0,2,0,0,0,0|2,0,0]=4 2600 B9R0.10 CC(C)NC(=O)C(C)(F)F 527a_100138425928_100000042251 [0,2,0,0,0,0|2,0,0]=4 2601 B9R0.10 CC(O)CC(=O)C(C)(C)C 1458a_106744555173_100011218427 [0,2,0,0,0,0|2,0,0]=4 2602 B9R0.10 CC(O)CC(=O)C(C)(C)F 1458a_100000765255_100011218427 [0,2,0,0,0,0|2,0,0]=4 2603 B9R0.10 CC(O)CC(=O)C(C)(C)O 1458a_100000242741_100011218427 [0,2,0,0,0,0|1,1,0]=4 2604 B9R0.33 CCOC(C(=O)N)C(C)C 34a_100121572206_100000230017 [0,2,0,0,0,0|1,0,1]=4 2605 B9R0.57 CC(C)C(=O)CC(C)(C)C 1458a_100000211214_100000210206 [0,2,0,0,0,0|2,0,0]=4 2606 B9R0.57 CC(C)C(=O)CC(C)(C)O 1458a_100000693243_100000210206 [0,2,0,0,0,0|2,0,0]=4 2607 B9R0.57 CC(C)C(=O)NC(C)(C)C 11a_100000715429_100000210198 [0,2,0,0,0,0|2,0,0]=4 2608 B9R0.57 CC(C)C(=O)NC(C)(C)C 1626a_100000715429_100000210198 [0,2,0,0,0,0|2,0,0]=4 2609 B9R0.57 CC(C)C(=O)NC(C)(C)C 240690a_100000715429_100000210198 [0,2,0,0,0,0|2,0,0]=4 2610 B9R0.57 CC(C)C(=O)NC(C)(C)C 527a_100000715429_100000210198 [0,2,0,0,0,0|2,0,0]=4 2611 B9R0.57 CC(F)C(=O)NC(C)(C)C 11a_100000715429_100000062450 [0,2,0,0,0,0|2,0,0]=4 2612 B9R0.57 CC(F)C(=O)NC(C)(C)C 1626a_100000715429_100000062450 [0,2,0,0,0,0|2,0,0]=4 2613 B9R0.57 CC(F)C(=O)NC(C)(C)C 240690a_100000715429_100000062450 [0,2,0,0,0,0|2,0,0]=4 2614 B9R0.57 CC(F)C(=O)NC(C)(C)C 527a_100000715429_100000062450 [0,2,0,0,0,0|2,0,0]=4 2615 B9R0.57 C[C@@H](O)C(=O)NC(C)(C)C 240690a_100000715429_100000717761 [0,2,0,0,0,0|1,1,0]=4 2616 B9R0.57 C[C@H](O)C(=O)NC(C)(C)C 1626a_100000715429_217856618621 [0,2,0,0,0,0|1,1,0]=4 2617 B9R0.57 C[C@H](O)C(=O)NC(C)(C)C 240690a_100000715429_217856618621 [0,2,0,0,0,0|1,1,0]=4 2618 B7R1.6 CCOC1CCC1 34a_100000748187_100000210202 [1,0,0,1,0,0|1,0,1]=4 2619 B7R1.6 CCOC1CCC1 34a_100121572206_100000749161 [1,0,0,1,0,0|1,0,1]=4 2620 B7R1.6 CCOC1CSC1 7a_100000072292_100000210202 [1,0,0,1,0,0|1,0,1]=4 2621 B7R1.8 CNC1CCC1=O 34a_100102657272_100009892977 [1,0,0,1,0,0|2,0,0]=4 2622 B7R1.8 CNC1CCC1=O 7a_106832991635_100009892977 [1,0,0,1,0,0|2,0,0]=4 2623 B7R1.8 COC1CCC1=O 34a_100138415774_100009892977 [1,0,0,1,0,0|2,0,0]=4 2624 B7R1.8 CSC1CCC1=O 62a_100009892977_200000210301 [1,0,0,1,0,0|2,0,0]=4 2625 B7R1.8 CSC1CCC1=O 62a_200000210301_100009892977 [1,0,0,1,0,0|2,0,0]=4 2626 B7R1.8 [13CH3]SC1CCC1=O 62a_100009892977_200025704644 [1,0,0,1,0,0|2,0,0]=4 2627 B7R1.8 [13CH3]SC1CCC1=O 62a_200025704644_100009892977 [1,0,0,1,0,0|2,0,0]=4 2628 B7R1.21 CCOC1(CC1)C 7a_100011725673_100000210202 [1,0,0,1,0,0|1,0,1]=4 2629 B7R1.22 CCC(=O)C1CC1 1458a_100000210395_100000210202 [1,0,0,1,0,0|1,0,0]=3 2630 B7R1.22 CCC(=O)C1CO1 1458a_100000701028_100000210202 [1,0,0,1,0,0|2,0,0]=4 2631 B7R1.22 CNC(=O)C1CC1 11a_106832991635_100000210395 [1,0,0,1,0,0|2,0,0]=4 2632 B7R1.22 CNC(=O)C1CC1 1626a_100102657272_100000210395 [1,0,0,1,0,0|2,0,0]=4 2633 B7R1.22 CNC(=O)C1CC1 240690a_100102657272_100000210395 [1,0,0,1,0,0|2,0,0]=4 2634 B7R1.22 CNC(=O)C1CC1 527a_100102657272_100000210395 [1,0,0,1,0,0|2,0,0]=4 2635 B7R1.22 O=C(CF)C1CC1 1458a_100000210395_100015361967 [1,0,0,1,0,0|2,0,0]=4 2636 B7R1.7 CCOCC1CC1 34a_100000211283_100000210202 [1,0,0,1,0,0|1,0,1]=4 2637 B7R1.7 CCOCC1CC1 34a_100121572206_100000742324 [1,0,0,1,0,0|1,0,1]=4 2638 B7R1.7 CCOCC1CO1 34a_100121572206_102125554688 [1,0,0,1,0,0|0,1,1]=4 2639 B7R1.7 CCOC[C@@H]1CO1 34a_100000757423_100000210202 [1,0,0,1,0,0|0,1,1]=4 2640 B7R1.7 CCSCC1CS1 62a_100000031435_100000210202 [1,0,0,1,0,0|0,1,1]=4 2641 B7R1.7 CCSCC1CS1 62a_100000210202_100000031435 [1,0,0,1,0,0|0,1,1]=4 2642 B9R1.41 CC(=O)C1CCOC1=O 1458a_100000070787_100000211211 [0,0,0,1,0,1|0,1,1]=4 2643 B9R1.41 CN(C)C1CCOC1=O 2230a_100102631434_100000211211 [0,0,0,1,0,1|2,0,0]=4 2644 B9R1.41 CN(C)C1CCOC1=O 269982a_100102631434_100000211211 [0,0,0,1,0,1|2,0,0]=4 2645 B9R1.75 CC#CC(=O)CC1CS1 1458a_100000763181_100000031435 [0,0,0,1,0,1|1,0,1]=4 2646 B9R1.75 CC=CC(=O)CC1CS1 1458a_100000210699_100000031435 [0,0,0,1,0,1|1,0,1]=4 2647 B9R1.75 CCCC(=O)CC1CC1 1458a_100000211992_100000742324 [0,0,0,1,0,1|2,0,0]=4 2648 B9R1.75 CCCC(=O)CC1CC1 1458a_100000738066_100000210303 [0,0,0,1,0,1|2,0,0]=4 2649 B9R1.75 CCCC(=O)CC1CO1 1458a_100000211992_100011216344 [0,0,0,1,0,1|1,1,0]=4 2650 B9R1.75 CCCC(=O)CC1CS1 1458a_100000211992_100000031435 [0,0,0,1,0,1|1,0,0]=3 2651 B9R1.75 CCCC(=O)C[C@@H]1CO1 1458a_100000211992_100000745022 [0,0,0,1,0,1|1,1,0]=4 2652 B9R1.75 CCCC(=O)NC1CC1 1626a_100000212008_100000211992 [0,0,0,1,0,1|2,0,0]=4 2653 B9R1.75 CCCC(=O)NC1CC1 240690a_100000212008_100000211992 [0,0,0,1,0,1|2,0,0]=4 2654 B9R1.75 CCCC(=O)NC1CC1 527a_100000212008_100000211992 [0,0,0,1,0,1|2,0,0]=4 2655 B9R1.75 CCNC(=O)CC1CC1 11a_100015525214_100000738066 [0,0,0,1,0,1|2,0,0]=4 2656 B9R1.75 CCNC(=O)CC1CC1 240690a_100015525214_100000738066 [0,0,0,1,0,1|2,0,0]=4 2657 B9R1.75 CCNC(=O)CC1CC1 527a_100015525214_100000738066 [0,0,0,1,0,1|2,0,0]=4 2658 B9R1.75 CCNC(=O)NC1CC1 2708a_100000212008_100015525214 [0,0,0,1,0,1|2,0,0]=4 2659 B9R1.75 CCNC(=O)NC1CC1 2708a_100015525214_100000212008 [0,0,0,1,0,1|2,0,0]=4 2660 B9R1.75 CCNC(=O)NC1CC1 273464a_100000212008_100015525214 [0,0,0,1,0,1|2,0,0]=4 2661 B9R1.75 CCNC(=O)NC1CC1 273464a_100015525214_100000212008 [0,0,0,1,0,1|2,0,0]=4 2662 B9R1.75 CCNC(=O)NC1CC1 512a_100000212008_100015525214 [0,0,0,1,0,1|2,0,0]=4 2663 B9R1.75 COCC(=O)CC1CS1 1458a_100000210968_100000031435 [0,0,0,1,0,1|2,0,0]=4 2664 B9R1.75 CSCC(=O)CC1CS1 1458a_100000184570_100000031435 [0,0,0,1,0,1|2,0,0]=4 2665 B9R1.75 O=C(CCO)CC1CS1 1458a_100011216618_100000031435 [0,0,0,1,0,1|2,0,0]=4 2666 B9R1.137 CC(C)CC(=O)C1CC1 1458a_100000210395_100000210624 [0,0,0,1,0,1|2,0,0]=4 2667 B9R1.137 CC(C)NC(=O)C1CC1 11a_100138425928_100000210395 [0,0,0,1,0,1|2,0,0]=4 2668 B9R1.137 CC(C)NC(=O)C1CC1 1626a_100138425928_100000210395 [0,0,0,1,0,1|2,0,0]=4 2669 B9R1.137 CC(C)NC(=O)C1CC1 240690a_100138425928_100000210395 [0,0,0,1,0,1|2,0,0]=4 2670 B9R1.137 CC(C)NC(=O)C1CC1 527a_100138425928_100000210395 [0,0,0,1,0,1|2,0,0]=4 2671 B9R1.137 CC(O)CC(=O)C1CC1 1458a_100000210395_100011218427 [0,0,0,1,0,1|1,1,0]=4 2672 B9R1.183 CCCC(=O)C1CC1C 1458a_100000211227_100000210303 [0,0,0,1,0,1|2,0,0]=4 2673 B9R1.183 CCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000210303 [0,0,0,1,0,1|2,0,0]=4 2674 B9R1.183 CCNC(=O)C1CC1C 11a_100015525214_100000211227 [0,0,0,1,0,1|2,0,0]=4 2675 B9R1.183 CCNC(=O)C1CC1C 527a_100015525214_100000211227 [0,0,0,1,0,1|2,0,0]=4 2676 B9R1.183 CCNC(=O)[C@@H]1C[C@@H]1F 11a_100015525214_100015396687 [0,0,0,1,0,1|2,0,0]=4 2677 B9R1.183 CCNC(=O)[C@@H]1C[C@@H]1F 240690a_100015525214_100015396687 [0,0,0,1,0,1|2,0,0]=4 2678 B9R1.183 CCNC(=O)[C@@H]1C[C@@H]1F 527a_100015525214_100015396687 [0,0,0,1,0,1|2,0,0]=4 2679 B9R1.3 CC1C(=O)NCCN1C 2230a_100000750721_200000210301 [0,1,0,1,0,0|2,0,0]=4 2680 B9R1.3 CC1C(=O)NCCN1C 269982a_100000750721_200000210301 [0,1,0,1,0,0|2,0,0]=4 2681 B9R1.3 CC1C(=O)NCCN1C 34a_100000750721_200000210301 [0,1,0,1,0,0|2,0,0]=4 2682 B9R1.3 CC1C(=O)NCCN1[13CH3] 2230a_100000750721_200025704644 [0,1,0,1,0,0|2,0,0]=4 2683 B9R1.3 CC1C(=O)NCCN1[13CH3] 269982a_100000750721_200025704644 [0,1,0,1,0,0|2,0,0]=4 2684 B9R1.3 CC1C(=O)NCCN1[13CH3] 34a_100000750721_200025704644 [0,1,0,1,0,0|2,0,0]=4 2685 B9R1.45 CC(C)C(=O)C1CC1C 1458a_100000211227_100000210206 [0,1,0,1,0,0|2,0,0]=4 2686 B9R1.45 CC(C)C(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000210206 [0,1,0,1,0,0|2,0,0]=4 2687 B9R1.101 C#CC(C)C(=O)C1CC1 1458a_100000210395_200000035995 [0,1,0,1,0,0|2,0,0]=4 2688 B9R1.101 CC(C#N)C(=O)C1CC1 1458a_100000210395_100000703298 [0,1,0,1,0,0|2,0,0]=4 2689 B9R1.101 CCC(C)C(=O)C1CC1 1458a_100000210395_100000758301 [0,1,0,1,0,0|2,0,0]=4 2690 B9R1.101 CCC(C)C(=O)C1CO1 1458a_100000701028_100000758301 [0,1,0,1,0,0|1,1,0]=4 2691 B9R1.101 CCN(C)C(=O)C1CC1 11a_100000225621_100000210395 [0,1,0,1,0,0|2,0,0]=4 2692 B9R1.101 CCN(C)C(=O)C1CC1 1626a_100000225621_100000210395 [0,1,0,1,0,0|2,0,0]=4 2693 B9R1.101 CCN(C)C(=O)C1CC1 240690a_100000225621_100000210395 [0,1,0,1,0,0|2,0,0]=4 2694 B9R1.101 CCN(C)C(=O)C1CC1 527a_100000225621_100000210395 [0,1,0,1,0,0|2,0,0]=4 2695 B9R1.101 CCN(C)C(=O)C1CO1 11a_100000225621_100000701028 [0,1,0,1,0,0|1,1,0]=4 2696 B9R1.101 CCN(C)C(=O)C1CO1 1626a_100000225621_100000701028 [0,1,0,1,0,0|1,1,0]=4 2697 B9R1.101 CCN(C)C(=O)C1CO1 240690a_100000225621_100000701028 [0,1,0,1,0,0|1,1,0]=4 2698 B9R1.101 CCN(C)C(=O)C1CO1 527a_100000225621_100000701028 [0,1,0,1,0,0|1,1,0]=4 2699 B9R1.110 CC(C)C(=O)C1CCC1 1458a_100000209988_100000210206 [0,1,0,1,0,0|2,0,0]=4 2700 B9R1.110 CC(C)C(=O)C1CCC1 1458a_100000210198_100000749161 [0,1,0,1,0,0|2,0,0]=4 2701 B9R1.110 CC(C)C(=O)C1CCO1 1458a_100000089072_100000210206 [0,1,0,1,0,0|1,0,0]=3 2702 B9R1.110 CC(C)C(=O)C1COC1 1458a_100000210198_100000687716 [0,1,0,1,0,0|2,0,0]=4 2703 B9R1.110 CC(C)C(=O)C1COC1 1458a_100000758290_100000210206 [0,1,0,1,0,0|2,0,0]=4 2704 B9R1.110 CC(C)C(=O)N1CCC1 11a_100000754969_100000210198 [0,1,0,1,0,0|2,0,0]=4 2705 B9R1.110 CC(C)C(=O)N1CCC1 240690a_100000754969_100000210198 [0,1,0,1,0,0|2,0,0]=4 2706 B9R1.110 CC(C)C(=O)N1CCC1 527a_100000754969_100000210198 [0,1,0,1,0,0|2,0,0]=4 2707 B9R1.110 CC(F)C(=O)C1CCC1 1458a_100000062450_100000749161 [0,1,0,1,0,0|2,0,0]=4 2708 B9R1.110 CC(F)C(=O)C1COC1 1458a_100000062450_100000687716 [0,1,0,1,0,0|2,0,0]=4 2709 B9R1.110 CC(F)C(=O)N1CCC1 11a_100000754969_100000062450 [0,1,0,1,0,0|2,0,0]=4 2710 B9R1.110 CC(F)C(=O)N1CCC1 240690a_100000754969_100000062450 [0,1,0,1,0,0|2,0,0]=4 2711 B9R1.110 CC(F)C(=O)N1CCC1 527a_100000754969_100000062450 [0,1,0,1,0,0|2,0,0]=4 2712 B9R1.110 CN(C)C(=O)C1CCO1 11a_100102631434_100000089072 [0,1,0,1,0,0|2,0,0]=4 2713 B9R1.110 CN(C)C(=O)C1CCO1 1626a_100102631434_100000089072 [0,1,0,1,0,0|2,0,0]=4 2714 B9R1.110 CN(C)C(=O)C1CCO1 240690a_100102631434_100000089072 [0,1,0,1,0,0|2,0,0]=4 2715 B9R1.110 CN(C)C(=O)C1CCO1 527a_100102631434_100000089072 [0,1,0,1,0,0|2,0,0]=4 2716 B9R1.110 C[C@@H](O)C(=O)C1CCC1 1458a_100000717761_100000749161 [0,1,0,1,0,0|1,1,0]=4 2717 B9R1.110 C[C@@H](O)C(=O)C1COC1 1458a_100000717761_100000687716 [0,1,0,1,0,0|1,1,0]=4 2718 B9R1.110 C[C@@H](O)C(=O)N1CCC1 240690a_100000754969_100000717761 [0,1,0,1,0,0|1,1,0]=4 2719 B9R1.110 C[C@H](O)C(=O)C1CCC1 1458a_217856618621_100000749161 [0,1,0,1,0,0|1,1,0]=4 2720 B9R1.110 C[C@H](O)C(=O)C1COC1 1458a_217856618621_100000687716 [0,1,0,1,0,0|1,1,0]=4 2721 B9R1.110 C[C@H](O)C(=O)N1CCC1 240690a_100000754969_217856618621 [0,1,0,1,0,0|1,1,0]=4 2722 B9R1.111 CC(C)C(=O)C1(CC1)C 1458a_100000756474_100000210206 [0,1,0,1,0,0|2,0,0]=4 2723 B9R1.111 CC(C)C(=O)C1(CC1)F 1458a_100000055089_100000210206 [0,1,0,1,0,0|2,0,0]=4 2724 B9R1.111 CC(C)C(=O)C1(CC1)O 1458a_100000241761_100000210206 [0,1,0,1,0,0|2,0,0]=4 2725 B9R1.15 CNC1CCCCC1=O 34a_100102657272_100000754470 [0,1,0,1,0,0|2,0,0]=4 2726 B9R1.15 CNC1CCCCC1=O 7a_106832991635_100000204591 [0,1,0,1,0,0|2,0,0]=4 2727 B9R1.15 CNC1CCCNC1=O 2230a_100000747585_200000210301 [0,1,0,1,0,0|2,0,0]=4 2728 B9R1.15 CNC1CCCNC1=O 2230a_106832991635_100000687798 [0,1,0,1,0,0|2,0,0]=4 2729 B9R1.15 CNC1CCCNC1=O 34a_100000747585_200000210301 [0,1,0,1,0,0|2,0,0]=4 2730 B9R1.15 CNC1CCCNC1=O 34a_100102657272_100000687798 [0,1,0,1,0,0|2,0,0]=4 2731 B9R1.15 CNC1CCCNC1=O 7a_106832991635_100000687798 [0,1,0,1,0,0|2,0,0]=4 2732 B9R1.15 COC1CCCCC1=O 34a_100011214950_200000210301 [0,1,0,1,0,0|1,1,0]=4 2733 B9R1.15 COC1CCCCC1=O 34a_100138415774_100000754470 [0,1,0,1,0,0|1,1,0]=4 2734 B9R1.15 COC1CCCNC1=O 34a_100000073722_200000210301 [0,1,0,1,0,0|1,1,0]=4 2735 B9R1.15 COC1CCCNC1=O 34a_100138415774_100000687798 [0,1,0,1,0,0|1,1,0]=4 2736 B9R1.15 CSC1CCCCC1=O 62a_100000204591_200000210301 [0,1,0,1,0,0|1,0,0]=3 2737 B9R1.15 CSC1CCCCC1=O 62a_200000210301_100000204591 [0,1,0,1,0,0|1,0,0]=3 2738 B9R1.15 CSC1CCCNC1=O 62a_100000687798_200000210301 [0,1,0,1,0,0|1,0,0]=3 2739 B9R1.15 CSC1CCCNC1=O 62a_200000210301_100000687798 [0,1,0,1,0,0|1,0,0]=3 2740 B9R1.15 CSC1COCCC1=O 62a_100012180262_200000210301 [0,1,0,1,0,0|2,0,0]=4 2741 B9R1.15 CSC1COCCC1=O 62a_200000210301_100012180262 [0,1,0,1,0,0|2,0,0]=4 2742 B9R1.15 [13CH3]NC1CCCNC1=O 2230a_100000747585_200025704644 [0,1,0,1,0,0|2,0,0]=4 2743 B9R1.15 [13CH3]NC1CCCNC1=O 34a_100000747585_200025704644 [0,1,0,1,0,0|2,0,0]=4 2744 B9R1.15 [13CH3]OC1CCCCC1=O 34a_100011214950_200025704644 [0,1,0,1,0,0|1,1,0]=4 2745 B9R1.15 [13CH3]OC1CCCNC1=O 34a_100000073722_200025704644 [0,1,0,1,0,0|1,1,0]=4 2746 B9R1.15 [13CH3]SC1CCCCC1=O 62a_100000204591_200025704644 [0,1,0,1,0,0|1,0,0]=3 2747 B9R1.15 [13CH3]SC1CCCCC1=O 62a_200025704644_100000204591 [0,1,0,1,0,0|1,0,0]=3 2748 B9R1.15 [13CH3]SC1CCCNC1=O 62a_100000687798_200025704644 [0,1,0,1,0,0|1,0,0]=3 2749 B9R1.15 [13CH3]SC1CCCNC1=O 62a_200025704644_100000687798 [0,1,0,1,0,0|1,0,0]=3 2750 B9R1.15 [13CH3]SC1COCCC1=O 62a_100012180262_200025704644 [0,1,0,1,0,0|2,0,0]=4 2751 B9R1.15 [13CH3]SC1COCCC1=O 62a_200025704644_100012180262 [0,1,0,1,0,0|2,0,0]=4 2752 B9R1.73 CCCC(=O)C1CCC1 1458a_100000209988_100000210303 [0,1,0,1,0,0|2,0,0]=4 2753 B9R1.73 CCCC(=O)C1CCC1 1458a_100000211992_100000749161 [0,1,0,1,0,0|2,0,0]=4 2754 B9R1.73 CCCC(=O)C1CCO1 1458a_100000089072_100000210303 [0,1,0,1,0,0|1,1,0]=4 2755 B9R1.73 CCCC(=O)C1COC1 1458a_100000211992_100000687716 [0,1,0,1,0,0|1,1,0]=4 2756 B9R1.73 CCCC(=O)C1COC1 1458a_100000758290_100000210303 [0,1,0,1,0,0|1,1,0]=4 2757 B9R1.73 CCNC(=O)C1CCC1 11a_100015525214_100000209988 [0,1,0,1,0,0|2,0,0]=4 2758 B9R1.73 CCNC(=O)C1CCC1 240690a_100015525214_100000209988 [0,1,0,1,0,0|2,0,0]=4 2759 B9R1.73 CCNC(=O)C1CCC1 527a_100015525214_100000209988 [0,1,0,1,0,0|2,0,0]=4 2760 B9R1.73 CCNC(=O)C1CCO1 11a_100015525214_100000089072 [0,1,0,1,0,0|1,1,0]=4 2761 B9R1.73 CCNC(=O)C1CCO1 240690a_100015525214_100000089072 [0,1,0,1,0,0|1,1,0]=4 2762 B9R1.73 CCNC(=O)C1CCO1 527a_100015525214_100000089072 [0,1,0,1,0,0|1,1,0]=4 2763 B9R1.73 CCNC(=O)C1COC1 11a_100015525214_100000758290 [0,1,0,1,0,0|1,1,0]=4 2764 B9R1.73 CCNC(=O)C1COC1 240690a_100015525214_100000758290 [0,1,0,1,0,0|1,1,0]=4 2765 B9R1.73 CCNC(=O)C1COC1 527a_100015525214_100000758290 [0,1,0,1,0,0|1,1,0]=4 2766 B9R1.74 CCCC(=O)C1(CC1)C 1458a_100000756474_100000210303 [0,1,0,1,0,0|2,0,0]=4 2767 B9R1.74 CCCC(=O)C1(CC1)F 1458a_100000055089_100000210303 [0,1,0,1,0,0|2,0,0]=4 2768 B9R1.74 CCCC(=O)C1(CC1)O 1458a_100000241761_100000210303 [0,1,0,1,0,0|1,1,0]=4 2769 B9R1.74 CCNC(=O)C1(CC1)C 11a_100015525214_100000756474 [0,1,0,1,0,0|2,0,0]=4 2770 B9R1.74 CCNC(=O)C1(CC1)C 240690a_100015525214_100000756474 [0,1,0,1,0,0|2,0,0]=4 2771 B9R1.74 CCNC(=O)C1(CC1)C 527a_100015525214_100000756474 [0,1,0,1,0,0|2,0,0]=4 2772 B9R1.74 CCNC(=O)C1(CC1)F 11a_100015525214_100000055089 [0,1,0,1,0,0|2,0,0]=4 2773 B9R1.74 CCNC(=O)C1(CC1)F 240690a_100015525214_100000055089 [0,1,0,1,0,0|2,0,0]=4 2774 B9R1.74 CCNC(=O)C1(CC1)F 527a_100015525214_100000055089 [0,1,0,1,0,0|2,0,0]=4 2775 B9R1.74 CCNC(=O)C1(CC1)O 240690a_100015525214_100000241761 [0,1,0,1,0,0|1,1,0]=4 2776 B9R1.23 CC1=CC(OC1=O)S[13CH3] 62a_200009893386_200025704644 [0,1,0,1,0,0|1,0,1]=4 2777 B9R1.23 CC1=CC(OC1=O)S[13CH3] 62a_200025704644_200009893386 [0,1,0,1,0,0|1,0,1]=4 2778 B9R1.23 CNC1C=C(C(=O)O1)C 2230a_106832991635_200009893386 [0,1,0,1,0,0|1,0,1]=4 2779 B9R1.23 CSC1C=C(C(=O)O1)C 62a_200000210301_200009893386 [0,1,0,1,0,0|1,0,1]=4 2780 B9R1.23 CSC1C=C(C(=O)O1)C 62a_200009893386_200000210301 [0,1,0,1,0,0|1,0,1]=4 2781 B9R1.100 CCCCC(=O)C1CC1 1458a_100000210395_100000210211 [0,1,0,1,0,0|2,0,0]=4 2782 B9R1.100 CCCCC(=O)C1CO1 1458a_100000701028_100000210211 [0,1,0,1,0,0|1,1,0]=4 2783 B9R1.100 CCCNC(=O)C1CC1 11a_100020643023_100000210395 [0,1,0,1,0,0|2,0,0]=4 2784 B9R1.100 CCCNC(=O)C1CC1 1626a_100020643023_100000210395 [0,1,0,1,0,0|2,0,0]=4 2785 B9R1.100 CCCNC(=O)C1CC1 240690a_100020643023_100000210395 [0,1,0,1,0,0|2,0,0]=4 2786 B9R1.100 CCCNC(=O)C1CC1 527a_100020643023_100000210395 [0,1,0,1,0,0|2,0,0]=4 2787 B9R1.100 CCCNC(=O)C1CO1 11a_100020643023_100000701028 [0,1,0,1,0,0|1,1,0]=4 2788 B9R1.100 CCCNC(=O)C1CO1 1626a_100020643023_100000701028 [0,1,0,1,0,0|1,1,0]=4 2789 B9R1.100 CCCNC(=O)C1CO1 240690a_100020643023_100000701028 [0,1,0,1,0,0|1,1,0]=4 2790 B9R1.100 CCCNC(=O)C1CO1 527a_100020643023_100000701028 [0,1,0,1,0,0|1,1,0]=4 2791 B9R1.100 CCNCC(=O)C1CC1 2230a_100015525214_100000746382 [0,1,0,1,0,0|2,0,0]=4 2792 B9R1.100 CCNNC(=O)C1CC1 22a_100000756455_100000210395 [0,1,0,1,0,0|2,0,0]=4 2793 B9R1.100 CCNNC(=O)C1CO1 22a_100000756455_100000701028 [0,1,0,1,0,0|1,1,0]=4 2794 B9R1.100 CCOCC(=O)C1CC1 34a_100000686663_100000210202 [0,1,0,1,0,0|1,0,0]=3 2795 B9R1.100 CCOCC(=O)C1CC1 34a_100121572206_100000746382 [0,1,0,1,0,0|1,0,0]=3 2796 B9R1.100 CCSCC(=O)C1CC1 62a_100000210202_100000746382 [0,1,0,1,0,0|1,1,0]=4 2797 B9R1.100 CCSCC(=O)C1CC1 62a_100000746382_100000210202 [0,1,0,1,0,0|1,1,0]=4 2798 B9R1.100 CNCOC(=O)C1CC1 2230a_106832991635_100000140896 [0,1,0,1,0,0|1,0,0]=3 2799 B9R1.100 CNCOC(=O)C1CC1 34a_100102657272_100000140896 [0,1,0,1,0,0|1,0,0]=3 2800 B9R1.100 COCCC(=O)C1CC1 1458a_100000210395_100000233755 [0,1,0,1,0,0|2,0,0]=4 2801 B9R1.100 COCCC(=O)C1CO1 1458a_100000701028_100000233755 [0,1,0,1,0,0|1,1,0]=4 2802 B9R1.100 COCOC(=O)C1CC1 34a_100138415774_100000140896 [0,1,0,1,0,0|1,0,0]=3 2803 B9R1.100 CSCCC(=O)C1CC1 1458a_100000210395_100000751147 [0,1,0,1,0,0|2,0,0]=4 2804 B9R1.100 CSCCC(=O)C1CO1 1458a_100000701028_100000751147 [0,1,0,1,0,0|1,1,0]=4 2805 B9R1.100 CSCOC(=O)C1CC1 62a_100000140896_200000210301 [0,1,0,1,0,0|1,0,0]=3 2806 B9R1.100 CSCOC(=O)C1CC1 62a_200000210301_100000140896 [0,1,0,1,0,0|1,0,0]=3 2807 B9R1.100 O=C(CCCF)C1CC1 1458a_100000210395_100011934791 [0,1,0,1,0,0|2,0,0]=4 2808 B9R1.100 O=C(CCCF)C1CO1 1458a_100000701028_100011934791 [0,1,0,1,0,0|1,1,0]=4 2809 B9R1.100 O=C(CCCO)C1CC1 1458a_100000210395_100011215043 [0,1,0,1,0,0|2,0,0]=4 2810 B9R1.100 O=C(CCCO)C1CO1 1458a_100000701028_100011215043 [0,1,0,1,0,0|1,1,0]=4 2811 B9R1.100 O=C(COCF)C1CC1 34a_100000686663_100015361967 [0,1,0,1,0,0|2,0,0]=4 2812 B9R1.100 O=C(NCCF)C1CC1 11a_100000724931_100000210395 [0,1,0,1,0,0|2,0,0]=4 2813 B9R1.100 O=C(NCCF)C1CC1 1626a_100000724931_100000210395 [0,1,0,1,0,0|2,0,0]=4 2814 B9R1.100 O=C(NCCF)C1CC1 240690a_100000724931_100000210395 [0,1,0,1,0,0|2,0,0]=4 2815 B9R1.100 O=C(NCCF)C1CC1 527a_100000724931_100000210395 [0,1,0,1,0,0|2,0,0]=4 2816 B9R1.100 O=C(NCCF)C1CO1 11a_100000724931_100000701028 [0,1,0,1,0,0|1,1,0]=4 2817 B9R1.100 O=C(NCCF)C1CO1 1626a_100000724931_100000701028 [0,1,0,1,0,0|1,1,0]=4 2818 B9R1.100 O=C(NCCF)C1CO1 240690a_100000724931_100000701028 [0,1,0,1,0,0|1,1,0]=4 2819 B9R1.100 O=C(NCCF)C1CO1 527a_100000724931_100000701028 [0,1,0,1,0,0|1,1,0]=4 2820 B9R1.100 O=C(NCCO)C1CC1 240690a_100000210304_100000210395 [0,1,0,1,0,0|2,0,0]=4 2821 B9R1.100 O=C(NCCO)C1CC1 527a_100000210304_100000210395 [0,1,0,1,0,0|2,0,0]=4 2822 B9R1.100 O=C(NCCO)C1CO1 240690a_100000210304_100000701028 [0,1,0,1,0,0|1,1,0]=4 2823 B9R1.100 O=C(NCCO)C1CO1 527a_100000210304_100000701028 [0,1,0,1,0,0|1,1,0]=4 2824 B9R1.100 [13CH3]SCOC(=O)C1CC1 62a_100000140896_200025704644 [0,1,0,1,0,0|1,0,0]=3 2825 B9R1.100 [13CH3]SCOC(=O)C1CC1 62a_200025704644_100000140896 [0,1,0,1,0,0|1,0,0]=3 2826 B9R1.112 CC(C)C(=O)CC1CC1 1458a_100000210198_100000742324 [0,1,0,1,0,0|2,0,0]=4 2827 B9R1.112 CC(C)C(=O)CC1CC1 1458a_100000738066_100000210206 [0,1,0,1,0,0|2,0,0]=4 2828 B9R1.112 CC(C)C(=O)CC1CO1 1458a_100000210198_100011216344 [0,1,0,1,0,0|2,0,0]=4 2829 B9R1.112 CC(C)C(=O)CC1CS1 1458a_100000210198_100000031435 [0,1,0,1,0,0|2,0,0]=4 2830 B9R1.112 CC(C)C(=O)C[C@@H]1CO1 1458a_100000210198_100000745022 [0,1,0,1,0,0|2,0,0]=4 2831 B9R1.112 CC(C)C(=O)NC1CC1 1626a_100000212008_100000210198 [0,1,0,1,0,0|2,0,0]=4 2832 B9R1.112 CC(C)C(=O)NC1CC1 240690a_100000212008_100000210198 [0,1,0,1,0,0|2,0,0]=4 2833 B9R1.112 CC(C)C(=O)NC1CC1 527a_100000212008_100000210198 [0,1,0,1,0,0|2,0,0]=4 2834 B9R1.112 CC(F)C(=O)CC1CC1 1458a_100000062450_100000742324 [0,1,0,1,0,0|2,0,0]=4 2835 B9R1.112 CC(F)C(=O)CC1CO1 1458a_100000062450_100011216344 [0,1,0,1,0,0|2,0,0]=4 2836 B9R1.112 CC(F)C(=O)CC1CS1 1458a_100000062450_100000031435 [0,1,0,1,0,0|2,0,0]=4 2837 B9R1.112 CC(F)C(=O)C[C@@H]1CO1 1458a_100000062450_100000745022 [0,1,0,1,0,0|2,0,0]=4 2838 B9R1.112 CC(F)C(=O)NC1CC1 1626a_100000212008_100000062450 [0,1,0,1,0,0|2,0,0]=4 2839 B9R1.112 CC(F)C(=O)NC1CC1 240690a_100000212008_100000062450 [0,1,0,1,0,0|2,0,0]=4 2840 B9R1.112 CC(F)C(=O)NC1CC1 527a_100000212008_100000062450 [0,1,0,1,0,0|2,0,0]=4 2841 B9R1.112 C[C@@H](O)C(=O)CC1CC1 1458a_100000717761_100000742324 [0,1,0,1,0,0|1,1,0]=4 2842 B9R1.112 C[C@@H](O)C(=O)CC1CO1 1458a_100000717761_100011216344 [0,1,0,1,0,0|1,1,0]=4 2843 B9R1.112 C[C@@H](O)C(=O)CC1CS1 1458a_100000717761_100000031435 [0,1,0,1,0,0|1,1,0]=4 2844 B9R1.112 C[C@@H](O)C(=O)C[C@@H]1CO1 1458a_100000717761_100000745022 [0,1,0,1,0,0|1,1,0]=4 2845 B9R1.112 C[C@@H](O)C(=O)NC1CC1 240690a_100000212008_100000717761 [0,1,0,1,0,0|1,1,0]=4 2846 B9R1.112 C[C@H](O)C(=O)CC1CC1 1458a_217856618621_100000742324 [0,1,0,1,0,0|1,1,0]=4 2847 B9R1.112 C[C@H](O)C(=O)CC1CO1 1458a_217856618621_100011216344 [0,1,0,1,0,0|1,1,0]=4 2848 B9R1.112 C[C@H](O)C(=O)CC1CS1 1458a_217856618621_100000031435 [0,1,0,1,0,0|1,1,0]=4 2849 B9R1.112 C[C@H](O)C(=O)C[C@@H]1CO1 1458a_217856618621_100000745022 [0,1,0,1,0,0|1,1,0]=4 2850 B9R1.112 C[C@H](O)C(=O)NC1CC1 1626a_100000212008_217856618621 [0,1,0,1,0,0|1,1,0]=4 2851 B9R1.112 C[C@H](O)C(=O)NC1CC1 240690a_100000212008_217856618621 [0,1,0,1,0,0|1,1,0]=4 2852 B9R0.48 CCCC(=O)C=CC(C)C 1458a_100016268746_100000210303 [0,0,0,0,0,2|2,0,0]=4 2853 B9R0.48 CCCC(=O)CCC(C)C 1458a_100000181311_100000210303 [0,0,0,0,0,2|2,0,0]=4 2854 B9R0.48 CCCC(=O)CCC(C)C 1458a_100000211992_100000210312 [0,0,0,0,0,2|2,0,0]=4 2855 B9R0.48 CCCC(=O)CCC(C)O 1458a_100000211992_100012276601 [0,0,0,0,0,2|1,1,0]=4 2856 B9R0.48 CCCC(=O)CNC(C)C 2230a_100138425928_100000747444 [0,0,0,0,0,2|2,0,0]=4 2857 B9R0.48 CCCC(=O)COC(C)C 1458a_100000745533_100000210303 [0,0,0,0,0,2|2,0,0]=4 2858 B9R0.48 CCCC(=O)CSC(C)C 1458a_100000241585_100000210303 [0,0,0,0,0,2|2,0,0]=4 2859 B9R0.48 CCCC(=O)CSC(C)C 62a_100000210206_100000747444 [0,0,0,0,0,2|2,0,0]=4 2860 B9R0.48 CCCC(=O)CSC(C)C 62a_100000747444_100000210206 [0,0,0,0,0,2|2,0,0]=4 2861 B9R0.48 CCCC(=O)NCC(C)C 11a_100000210953_100000211992 [0,0,0,0,0,2|2,0,0]=4 2862 B9R0.48 CCCC(=O)NCC(C)C 1626a_100000210953_100000211992 [0,0,0,0,0,2|2,0,0]=4 2863 B9R0.48 CCCC(=O)NCC(C)C 240690a_100000210953_100000211992 [0,0,0,0,0,2|2,0,0]=4 2864 B9R0.48 CCCC(=O)NCC(C)C 527a_100000210953_100000211992 [0,0,0,0,0,2|2,0,0]=4 2865 B9R0.48 CCCC(=O)NCC(C)O 11a_100000210904_100000211992 [0,0,0,0,0,2|1,1,0]=4 2866 B9R0.48 CCCC(=O)NCC(C)O 240690a_100000210904_100000211992 [0,0,0,0,0,2|1,1,0]=4 2867 B9R0.48 CCCC(=O)NCC(C)O 527a_100000210904_100000211992 [0,0,0,0,0,2|1,1,0]=4 2868 B9R0.48 CCCC(=O)NNC(C)C 22a_100000741168_100000211992 [0,0,0,0,0,2|2,0,0]=4 2869 B9R0.48 CCNC(=O)C=CC(C)C 11a_100015525214_100016268746 [0,0,0,0,0,2|2,0,0]=4 2870 B9R0.48 CCNC(=O)C=CC(C)C 240690a_100015525214_100016268746 [0,0,0,0,0,2|2,0,0]=4 2871 B9R0.48 CCNC(=O)CCC(C)C 11a_100015525214_100000181311 [0,0,0,0,0,2|2,0,0]=4 2872 B9R0.48 CCNC(=O)CCC(C)C 240690a_100015525214_100000181311 [0,0,0,0,0,2|2,0,0]=4 2873 B9R0.48 CCNC(=O)CCC(C)C 527a_100015525214_100000181311 [0,0,0,0,0,2|2,0,0]=4 2874 B9R0.48 CCNC(=O)CNC(C)C 2230a_100016988866_100000210206 [0,0,0,0,0,2|2,0,0]=4 2875 B9R0.48 CCNC(=O)CNC(C)C 2230a_100138425928_100000183381 [0,0,0,0,0,2|2,0,0]=4 2876 B9R0.48 CCNC(=O)CNC(C)C 34a_100138425928_100000183381 [0,0,0,0,0,2|2,0,0]=4 2877 B9R0.48 CCNC(=O)COC(C)C 11a_100015525214_100000745533 [0,0,0,0,0,2|2,0,0]=4 2878 B9R0.48 CCNC(=O)COC(C)C 240690a_100015525214_100000745533 [0,0,0,0,0,2|2,0,0]=4 2879 B9R0.48 CCNC(=O)COC(C)C 34a_100000212225_100000183381 [0,0,0,0,0,2|2,0,0]=4 2880 B9R0.48 CCNC(=O)COC(C)C 527a_100015525214_100000745533 [0,0,0,0,0,2|2,0,0]=4 2881 B9R0.48 CCNC(=O)CSC(C)C 11a_100015525214_100000241585 [0,0,0,0,0,2|2,0,0]=4 2882 B9R0.48 CCNC(=O)CSC(C)C 240690a_100015525214_100000241585 [0,0,0,0,0,2|2,0,0]=4 2883 B9R0.48 CCNC(=O)CSC(C)C 527a_100015525214_100000241585 [0,0,0,0,0,2|2,0,0]=4 2884 B9R0.48 CCNC(=O)CSC(C)C 62a_100000183381_100000210206 [0,0,0,0,0,2|2,0,0]=4 2885 B9R0.48 CCNC(=O)CSC(C)C 62a_100000210206_100000183381 [0,0,0,0,0,2|2,0,0]=4 2886 B9R0.48 CCNC(=O)NCC(C)C 2708a_100000210953_100015525214 [0,0,0,0,0,2|2,0,0]=4 2887 B9R0.48 CCNC(=O)NCC(C)C 2708a_100015525214_100000210953 [0,0,0,0,0,2|2,0,0]=4 2888 B9R0.48 CCNC(=O)NCC(C)C 273464a_100000210953_100015525214 [0,0,0,0,0,2|2,0,0]=4 2889 B9R0.48 CCNC(=O)NCC(C)C 273464a_100015525214_100000210953 [0,0,0,0,0,2|2,0,0]=4 2890 B9R0.48 CCNC(=O)NCC(C)C 512a_100000210953_100015525214 [0,0,0,0,0,2|2,0,0]=4 2891 B9R0.48 CCNC(=O)NCC(C)C 512a_100015525214_100000210953 [0,0,0,0,0,2|2,0,0]=4 2892 B9R0.48 CCNC(=O)NCC(C)O 2708a_100015525214_100000210904 [0,0,0,0,0,2|1,1,0]=4 2893 B9R0.48 CCNC(=O)NCC(C)O 273464a_100000210904_100015525214 [0,0,0,0,0,2|1,1,0]=4 2894 B9R0.48 CCNC(=O)NCC(C)O 273464a_100015525214_100000210904 [0,0,0,0,0,2|1,1,0]=4 2895 B9R0.48 CCNC(=O)NCC(C)O 512a_100000210904_100015525214 [0,0,0,0,0,2|1,1,0]=4 2896 B9R0.48 CCNC(=O)NCC(C)O 512a_100015525214_100000210904 [0,0,0,0,0,2|1,1,0]=4 2897 B9R0.48 CCNC(=O)NNC(C)C 273464a_100015525214_100000741168 [0,0,0,0,0,2|2,0,0]=4 2898 B9R0.48 CCNC(=O)NNC(C)C 512a_100000741168_100015525214 [0,0,0,0,0,2|2,0,0]=4 2899 B9R0.48 CCNC(=O)NNC(C)C 512a_100015525214_100000741168 [0,0,0,0,0,2|2,0,0]=4 2900 B9R0.48 CCOC(=O)C=CC(=O)C 1458a_100000210415_200000210301 [0,0,0,0,0,2|0,1,1]=4 2901 B9R0.48 CCOC(=O)C=CC(=O)[13CH3] 1458a_100000210415_200025704644 [0,0,0,0,0,2|0,1,1]=4 2902 B9R0.48 CCOC(=O)CCC(=O)C 1458a_100000183558_200000210301 [0,0,0,0,0,2|0,1,1]=4 2903 B9R0.48 CCOC(=O)CCC(=O)[13CH3] 1458a_100000183558_200025704644 [0,0,0,0,0,2|0,1,1]=4 2904 B9R0.48 CCOC(=O)CCN(C)C 2230a_100000745921_200000210301 [0,0,0,0,0,2|2,0,0]=4 2905 B9R0.48 CCOC(=O)CCN(C)C 2230a_100102631434_100011206558 [0,0,0,0,0,2|2,0,0]=4 2906 B9R0.48 CCOC(=O)CCN(C)C 269982a_100000745921_200000210301 [0,0,0,0,0,2|2,0,0]=4 2907 B9R0.48 CCOC(=O)CCN(C)C 269982a_100102631434_100011206558 [0,0,0,0,0,2|2,0,0]=4 2908 B9R0.48 CCOC(=O)CCN(C)[13CH3] 2230a_100000745921_200025704644 [0,0,0,0,0,2|2,0,0]=4 2909 B9R0.48 CCOC(=O)CCN(C)[13CH3] 269982a_100000745921_200025704644 [0,0,0,0,0,2|2,0,0]=4 2910 B9R0.48 CCOC(=O)CNC(=O)C 188690a_100000741813_100015343762 [0,0,0,0,0,2|0,1,1]=4 2911 B9R0.48 CCOC(=O)CNC(C)C 2230a_100138425928_100000188475 [0,0,0,0,0,2|1,0,0]=3 2912 B9R0.48 CCOC(=O)CNC(C)C 34a_100138425928_100000188475 [0,0,0,0,0,2|1,0,0]=3 2913 B9R0.48 CCOC(=O)COC(C)C 34a_100000212225_100000188475 [0,0,0,0,0,2|1,0,0]=3 2914 B9R0.48 CCOC(=O)CSC(C)C 62a_100000188475_100000210206 [0,0,0,0,0,2|1,0,0]=3 2915 B9R0.48 CCOC(=O)CSC(C)C 62a_100000210206_100000188475 [0,0,0,0,0,2|1,0,0]=3 2916 B9R0.48 CCOC(=O)NCC(=O)C 1458a_100000190774_200000210301 [0,0,0,0,0,2|0,1,1]=4 2917 B9R0.48 CCOC(=O)NCC(=O)[13CH3] 1458a_100000190774_200025704644 [0,0,0,0,0,2|0,1,1]=4