0 B8R0.11 C#CC(CC)OCCC 34a_100000758843_100000210303 [0,0,0,0,0,0|2,0,2]=4 1 B8R0.11 C#CC(CC)OCCC 7a_100000758843_100000210303 [0,0,0,0,0,0|2,0,2]=4 2 B8R0.11 C=CC(=NNCC)CC 4a_100000756455_100000747743 [0,0,0,0,0,0|3,0,0]=3 3 B8R0.11 C=CC(CC)OCCC 34a_100000766422_100000210303 [0,0,0,0,0,0|2,0,1]=3 4 B8R0.11 C=CC(CC)OCCC 7a_100000766422_100000210303 [0,0,0,0,0,0|2,0,1]=3 5 B8R0.11 C=CC(CC)OCCF 34a_100000766422_100011217306 [0,0,0,0,0,0|3,0,1]=4 6 B8R0.11 C=CC(CC)OCCF 7a_100000766422_100011217306 [0,0,0,0,0,0|3,0,1]=4 7 B8R0.11 C=CC(CC)OCCO 34a_100000766422_100000211926 [0,0,0,0,0,0|3,0,1]=4 8 B8R0.11 C=CC(CC)OCCO 7a_100000766422_100000211926 [0,0,0,0,0,0|3,0,1]=4 9 B8R0.11 C=CC(CC)OCSC 34a_100000766422_100011218213 [0,0,0,0,0,0|3,0,1]=4 10 B8R0.11 C=CC(CCCC)OC 34a_200011215037_200000210301 [0,0,0,0,0,0|2,0,2]=4 11 B8R0.11 C=CC(CCCC)OC 7a_200011215037_200000210301 [0,0,0,0,0,0|2,0,2]=4 12 B8R0.11 C=CC(CCCC)O[13CH3] 34a_200011215037_200025704644 [0,0,0,0,0,0|2,0,2]=4 13 B8R0.11 C=CC(CCCC)O[13CH3] 7a_200011215037_200025704644 [0,0,0,0,0,0|2,0,2]=4 14 B8R0.11 C=C[C@@H](CO)NCCC 2230a_100016989147_100000210303 [0,0,0,0,0,0|3,0,1]=4 15 B8R0.11 C=C[C@@H](CO)NCCC 34a_100016989147_100000210303 [0,0,0,0,0,0|3,0,1]=4 16 B8R0.11 CCCCC(CC)NC 270004a_106832991635_100000753412 [0,0,0,0,0,0|2,0,2]=4 17 B8R0.11 CCCCC(CC)NC 34a_100102657272_200011216223 [0,0,0,0,0,0|2,0,2]=4 18 B8R0.11 CCCCC(CC)NC 7a_106832991635_200011216223 [0,0,0,0,0,0|2,0,2]=4 19 B8R0.11 CCCCC(CC)OC 34a_100011215227_200000210301 [0,0,0,0,0,0|2,0,2]=4 20 B8R0.11 CCCCC(CC)OC 34a_100138415774_200011216223 [0,0,0,0,0,0|2,0,2]=4 21 B8R0.11 CCCCC(CC)OC 7a_100011215227_200000210301 [0,0,0,0,0,0|2,0,2]=4 22 B8R0.11 CCCCC(CC)O[13CH3] 34a_100011215227_200025704644 [0,0,0,0,0,0|2,0,2]=4 23 B8R0.11 CCCCC(CC)O[13CH3] 7a_100011215227_200025704644 [0,0,0,0,0,0|2,0,2]=4 24 B8R0.11 CCCCC(CC)SC 62a_200000210301_200011216223 [0,0,0,0,0,0|2,0,2]=4 25 B8R0.11 CCCCC(CC)SC 62a_200011216223_200000210301 [0,0,0,0,0,0|2,0,2]=4 26 B8R0.11 CCCCC(CC)S[13CH3] 62a_200011216223_200025704644 [0,0,0,0,0,0|2,0,2]=4 27 B8R0.11 CCCCC(CC)S[13CH3] 62a_200025704644_200011216223 [0,0,0,0,0,0|2,0,2]=4 28 B8R0.11 CCCCN(CC)CC 2230a_100000207695_100000210202 [0,0,0,0,0,0|2,0,2]=4 29 B8R0.11 CCCCN(CC)CC 2230a_100000724800_100000210211 [0,0,0,0,0,0|2,0,2]=4 30 B8R0.11 CCCCN(CC)CC 269956a_100000042499_100000210211 [0,0,0,0,0,0|2,0,2]=4 31 B8R0.11 CCCCN(CC)CC 269982a_100000207695_100000204670 [0,0,0,0,0,0|2,0,2]=4 32 B8R0.11 CCCCN(CC)CC 269982a_100000724800_100000210211 [0,0,0,0,0,0|2,0,2]=4 33 B8R0.11 CCCCN(CC)CF 269982a_100000207695_100015361967 [0,0,0,0,0,0|2,0,2]=4 34 B8R0.11 CCCNC(CC)CC 2230a_100000199018_100000210303 [0,0,0,0,0,0|2,0,2]=4 35 B8R0.11 CCCNC(CC)CC 270004a_100020643023_100000210860 [0,0,0,0,0,0|2,0,2]=4 36 B8R0.11 CCCN[C@@H](CC)CO 2230a_100000709445_100000210303 [0,0,0,0,0,0|1,0,3]=4 37 B8R0.11 CCCOC(C=O)C=O 34a_100000210258_100000736813 [0,0,0,0,0,0|2,0,2]=4 38 B8R0.11 CCCOC(CC)CC 7a_100000688536_100000210303 [0,0,0,0,0,0|2,0,2]=4 39 B8R0.11 CCCSC(C=O)C=O 62a_100000210303_100000736813 [0,0,0,0,0,0|2,0,2]=4 40 B8R0.11 CCCSC(C=O)C=O 62a_100000736813_100000210303 [0,0,0,0,0,0|2,0,2]=4 41 B8R0.11 CCCSC(CC)CC 62a_100000210303_100000210505 [0,0,0,0,0,0|2,0,2]=4 42 B8R0.11 CCCSC(CC)CC 62a_100000210505_100000210303 [0,0,0,0,0,0|2,0,2]=4 43 B8R0.11 CCNN=C(CC)CC 4a_100000756455_100000210860 [0,0,0,0,0,0|3,0,1]=4 44 B8R0.11 CCNN=C(CC)CO 4a_100000756455_100000725409 [0,0,0,0,0,0|2,0,2]=4 45 B7R0.3 C#C/C(=C\COC)/C 34a_100016990848_200000210301 [1,0,0,0,0,0|2,0,1]=4 46 B7R0.3 C#C/C(=C\CO[13CH3])/C 34a_100016990848_200025704644 [1,0,0,0,0,0|2,0,1]=4 47 B7R0.3 C#CC(=O)CCCC 1458a_100000211873_100000210211 [1,0,0,0,0,0|0,0,3]=4 48 B7R0.3 C#CCCC(=O)CC 1458a_100000210414_100000753159 [1,0,0,0,0,0|0,0,3]=4 49 B7R0.3 C#CCCC(=O)CC 1458a_100000692101_100000210202 [1,0,0,0,0,0|0,0,3]=4 50 B7R0.3 C#CCNC(=O)CC 11a_100000212058_100000210414 [1,0,0,0,0,0|1,0,2]=4 51 B7R0.3 C#CCNC(=O)CC 1626a_100000212058_100000210414 [1,0,0,0,0,0|1,0,2]=4 52 B7R0.3 C#CCNC(=O)CC 240690a_100000212058_100000210414 [1,0,0,0,0,0|1,0,2]=4 53 B7R0.3 C#CCNC(=O)CC 527a_100000212058_100000210414 [1,0,0,0,0,0|1,0,2]=4 54 B7R0.3 C/C=C/CC(=O)CC 1458a_100000210414_100102629194 [1,0,0,0,0,0|0,0,3]=4 55 B7R0.3 C=CC(=NNCC)C 4a_100000756455_200015361842 [1,0,0,0,0,0|3,0,0]=4 56 B7R0.3 C=CC(=O)CCCC 1458a_100000185746_100000210211 [1,0,0,0,0,0|0,0,3]=4 57 B7R0.3 C=CC(=O)NCCC 1626a_100020643023_100000185746 [1,0,0,0,0,0|1,0,2]=4 58 B7R0.3 C=CC(=O)NCCC 240690a_100020643023_200121576911 [1,0,0,0,0,0|1,0,2]=4 59 B7R0.3 C=CC(C)OCCC 34a_100000695699_100000210303 [1,0,0,0,0,0|2,0,1]=4 60 B7R0.3 C=CC(C)SCCC 62a_100011215867_100000210303 [1,0,0,0,0,0|2,0,1]=4 61 B7R0.3 C=CC=CC(=O)CC 1458a_100016291481_100000210202 [1,0,0,0,0,0|0,0,3]=4 62 B7R0.3 C=CCCC(=O)CC 1458a_100000210414_100000754431 [1,0,0,0,0,0|0,0,3]=4 63 B7R0.3 C=CCCC(=O)CC 1458a_100000749702_100000210202 [1,0,0,0,0,0|0,0,3]=4 64 B7R0.3 C=CCNC(=O)CC 1626a_100020586998_100000210414 [1,0,0,0,0,0|1,0,2]=4 65 B7R0.3 C=CCNC(=O)CC 240690a_100020586998_100000210414 [1,0,0,0,0,0|1,0,2]=4 66 B7R0.3 C=CCNC(=O)CC 527a_100020586998_100000210414 [1,0,0,0,0,0|1,0,2]=4 67 B7R0.3 CC#CCC(=O)CC 1458a_100000210414_100000748600 [1,0,0,0,0,0|0,0,3]=4 68 B7R0.3 CC=CCC(=O)CC 1458a_100000210414_100000070051 [1,0,0,0,0,0|0,0,3]=4 69 B7R0.3 CC=CCC(=O)CC 1458a_100121576822_100000210202 [1,0,0,0,0,0|0,0,3]=4 70 B7R0.3 CC=NNC(=O)CC 4a_100000183195_200000210099 [1,0,0,0,0,0|2,0,1]=4 71 B7R0.3 CCC#CC(=O)CC 1458a_100011827653_100000210202 [1,0,0,0,0,0|0,0,2]=3 72 B7R0.3 CCC#CC(=O)CF 1458a_100011827653_100015361967 [1,0,0,0,0,0|1,0,2]=4 73 B7R0.3 CCC(=O)C#CCO 1458a_100000049017_100000210202 [1,0,0,0,0,0|1,0,2]=4 74 B7R0.3 CCC(=O)C=COC 1458a_100016268678_100000210202 [1,0,0,0,0,0|1,0,1]=3 75 B7R0.3 CCC(=O)CCC#N 1458a_100000210414_100011215226 [1,0,0,0,0,0|1,0,2]=4 76 B7R0.3 CCC(=O)CCC#N 1458a_100011934036_100000210202 [1,0,0,0,0,0|1,0,2]=4 77 B7R0.3 CCC(=O)CCCF 1458a_100000210414_100011934791 [1,0,0,0,0,0|1,0,1]=3 78 B7R0.3 CCC(=O)CCCO 1458a_100000210414_100011215043 [1,0,0,0,0,0|1,0,1]=3 79 B7R0.3 CCC(=O)CCOC 1458a_100000210414_100000233755 [1,0,0,0,0,0|1,0,1]=3 80 B7R0.3 CCC(=O)CCOC 1458a_100000749529_100000210202 [1,0,0,0,0,0|1,0,1]=3 81 B7R0.3 CCC(=O)CCSC 1458a_100000174002_100000210202 [1,0,0,0,0,0|1,0,1]=3 82 B7R0.3 CCC(=O)CCSC 1458a_100000210414_100000751147 [1,0,0,0,0,0|1,0,1]=3 83 B7R0.3 CCC(=O)COCF 34a_100000725409_100015361967 [1,0,0,0,0,0|2,0,1]=4 84 B7R0.3 CCC(=O)CSCF 62a_100000747405_100015361967 [1,0,0,0,0,0|2,0,1]=4 85 B7R0.3 CCC(=O)CSCF 62a_100015361967_100000747405 [1,0,0,0,0,0|2,0,1]=4 86 B7R0.3 CCC(=O)NCC#N 1626a_100000734998_100000210414 [1,0,0,0,0,0|2,0,1]=4 87 B7R0.3 CCC(=O)NCC#N 527a_100000734998_100000210414 [1,0,0,0,0,0|2,0,1]=4 88 B7R0.3 CCC(=O)NCCF 11a_100000724931_100000210414 [1,0,0,0,0,0|2,0,0]=3 89 B7R0.3 CCC(=O)NCCF 1626a_100000724931_100000210414 [1,0,0,0,0,0|2,0,0]=3 90 B7R0.3 CCC(=O)NCCF 240690a_100000724931_100000210414 [1,0,0,0,0,0|2,0,0]=3 91 B7R0.3 CCC(=O)NCCF 527a_100000724931_100000210414 [1,0,0,0,0,0|2,0,0]=3 92 B7R0.3 CCC(=O)NCCO 240690a_100000210304_100000210414 [1,0,0,0,0,0|2,0,0]=3 93 B7R0.3 CCC(=O)NCCO 527a_100000210304_100000210414 [1,0,0,0,0,0|2,0,0]=3 94 B7R0.3 CCC=CC(=O)CC 1458a_100000212282_100000210202 [1,0,0,0,0,0|0,0,1]=2 95 B7R0.3 CCC=CC(=O)CF 1458a_100000212282_100015361967 [1,0,0,0,0,0|1,0,1]=3 96 B7R0.3 CCC=CC(=O)NC 11a_106832991635_100000212282 [1,0,0,0,0,0|1,0,1]=3 97 B7R0.3 CCC=CC(=O)NC 1626a_100102657272_100000212282 [1,0,0,0,0,0|1,0,1]=3 98 B7R0.3 CCC=CC(=O)NC 240690a_100102657272_100000212282 [1,0,0,0,0,0|1,0,1]=3 99 B7R0.3 CCCCC(=O)CC 1458a_100000210183_100000210202 [1,0,0,0,0,0|0,0,1]=2 100 B7R0.3 CCCCC(=O)CC 1458a_100000210414_100000210211 [1,0,0,0,0,0|0,0,1]=2 101 B7R0.3 CCCCC(=O)CF 1458a_100000210183_100015361967 [1,0,0,0,0,0|1,0,1]=3 102 B7R0.3 CCCCC(=O)CO 1458a_100000210174_100000210211 [1,0,0,0,0,0|1,0,1]=3 103 B7R0.3 CCCCC(=O)NC 11a_106832991635_100000210183 [1,0,0,0,0,0|1,0,1]=3 104 B7R0.3 CCCCC(=O)NC 1626a_100102657272_100000210183 [1,0,0,0,0,0|1,0,1]=3 105 B7R0.3 CCCCC(=O)NC 240690a_100102657272_100000210183 [1,0,0,0,0,0|1,0,1]=3 106 B7R0.3 CCCCC(=O)NC 527a_100102657272_100000210183 [1,0,0,0,0,0|1,0,1]=3 107 B7R0.3 CCCCN(C)CC 2230a_100000207549_100000210202 [1,0,0,0,0,0|1,0,2]=4 108 B7R0.3 CCCCN(C)CC 2230a_100000207695_200000210301 [1,0,0,0,0,0|1,0,2]=4 109 B7R0.3 CCCCN(C)CC 2230a_100000225621_100000210211 [1,0,0,0,0,0|1,0,2]=4 110 B7R0.3 CCCCN(C)CC 269982a_100000207549_100000204670 [1,0,0,0,0,0|1,0,2]=4 111 B7R0.3 CCCCN(C)CC 269982a_100000207695_200000210301 [1,0,0,0,0,0|1,0,2]=4 112 B7R0.3 CCCCN(C)CC 269982a_100000225621_100000210211 [1,0,0,0,0,0|1,0,2]=4 113 B7R0.3 CCCCN([13CH3])CC 2230a_100000207695_200025704644 [1,0,0,0,0,0|1,0,2]=4 114 B7R0.3 CCCCN([13CH3])CC 269982a_100000207695_200025704644 [1,0,0,0,0,0|1,0,2]=4 115 B7R0.3 CCCNC(=O)CC 11a_100020643023_100000210414 [1,0,0,0,0,0|1,0,0]=2 116 B7R0.3 CCCNC(=O)CC 1626a_100020643023_100000210414 [1,0,0,0,0,0|1,0,0]=2 117 B7R0.3 CCCNC(=O)CC 240690a_100020643023_100000210414 [1,0,0,0,0,0|1,0,0]=2 118 B7R0.3 CCCNC(=O)CC 527a_100020643023_100000210414 [1,0,0,0,0,0|1,0,0]=2 119 B7R0.3 CCCNC(=O)CO 240690a_100020643023_100000210174 [1,0,0,0,0,0|2,0,0]=3 120 B7R0.3 CCCNC(=O)CO 527a_100020643023_100000210174 [1,0,0,0,0,0|2,0,0]=3 121 B7R0.3 CCCNC(=O)NC 2708a_100020643023_106832991635 [1,0,0,0,0,0|2,0,0]=3 122 B7R0.3 CCCNC(=O)NC 2708a_100102657272_100020643023 [1,0,0,0,0,0|2,0,0]=3 123 B7R0.3 CCCNC(=O)NC 273464a_100020643023_100102657272 [1,0,0,0,0,0|2,0,0]=3 124 B7R0.3 CCCNC(=O)NC 273464a_100102657272_100020643023 [1,0,0,0,0,0|2,0,0]=3 125 B7R0.3 CCCNC(=O)NC 512a_100020643023_100102657272 [1,0,0,0,0,0|2,0,0]=3 126 B7R0.3 CCCNC(=O)NC 512a_106832991638_100020643023 [1,0,0,0,0,0|2,0,0]=3 127 B7R0.3 CCCNC(C)CC 2230a_100000209981_100000210303 [1,0,0,0,0,0|1,0,2]=4 128 B7R0.3 CCCOC(C)CC 34a_100000210258_100011215416 [1,0,0,0,0,0|1,0,2]=4 129 B7R0.3 CCCOC(C)CC 7a_100000210228_100000210303 [1,0,0,0,0,0|1,0,2]=4 130 B7R0.3 CCCSC(C)CC 62a_100000210303_100000758301 [1,0,0,0,0,0|1,0,2]=4 131 B7R0.3 CCCSC(C)CC 62a_100000758301_100000210303 [1,0,0,0,0,0|1,0,2]=4 132 B7R0.3 CCNCC(=O)NC 2230a_100000693194_100000210202 [1,0,0,0,0,0|2,0,1]=4 133 B7R0.3 CCNCC(=O)NC 2230a_100015525214_100000183359 [1,0,0,0,0,0|2,0,1]=4 134 B7R0.3 CCNCC(=O)OC 2230a_100015525214_100000747449 [1,0,0,0,0,0|2,0,1]=4 135 B7R0.3 CCNNC(=O)CC 22a_100000756455_100000210414 [1,0,0,0,0,0|2,0,0]=3 136 B7R0.3 CCNNC(=O)CO 22a_100000756455_100000210174 [1,0,0,0,0,0|3,0,0]=4 137 B7R0.3 CCNNC(=O)NC 273464a_100102657272_100000756455 [1,0,0,0,0,0|3,0,0]=4 138 B7R0.3 CCNNC(=O)NC 512a_100000756455_100102657272 [1,0,0,0,0,0|3,0,0]=4 139 B7R0.3 CCNNC(=O)NC 512a_106832991638_100000756455 [1,0,0,0,0,0|3,0,0]=4 140 B7R0.3 CCOCC(=O)CC 1458a_100000211967_100000210202 [1,0,0,0,0,0|1,0,1]=3 141 B7R0.3 CCOCC(=O)CC 34a_100000725409_100000210202 [1,0,0,0,0,0|1,0,1]=3 142 B7R0.3 CCOCC(=O)CF 1458a_100000211967_100015361967 [1,0,0,0,0,0|2,0,1]=4 143 B7R0.3 CCOCC(=O)NC 11a_106832991635_100000211967 [1,0,0,0,0,0|2,0,1]=4 144 B7R0.3 CCOCC(=O)NC 1626a_100102657272_100000211967 [1,0,0,0,0,0|2,0,1]=4 145 B7R0.3 CCOCC(=O)NC 240690a_100102657272_100000211967 [1,0,0,0,0,0|2,0,1]=4 146 B7R0.3 CCOCC(=O)NC 34a_100000750040_100000210202 [1,0,0,0,0,0|2,0,1]=4 147 B7R0.3 CCOCC(=O)NC 34a_100121572206_100000183359 [1,0,0,0,0,0|2,0,1]=4 148 B7R0.3 CCOCC(=O)NC 527a_100102657272_100000211967 [1,0,0,0,0,0|2,0,1]=4 149 B7R0.3 CCOCC(=O)OC 34a_100121572206_100000747449 [1,0,0,0,0,0|2,0,1]=4 150 B7R0.3 CCSCC(=O)CC 1458a_100000230394_100000210202 [1,0,0,0,0,0|1,0,1]=3 151 B7R0.3 CCSCC(=O)CC 62a_100000210202_100000747405 [1,0,0,0,0,0|1,0,1]=3 152 B7R0.3 CCSCC(=O)CC 62a_100000747405_100000210202 [1,0,0,0,0,0|1,0,1]=3 153 B7R0.3 CCSCC(=O)CF 1458a_100000230394_100015361967 [1,0,0,0,0,0|2,0,1]=4 154 B7R0.3 CCSCC(=O)NC 11a_106832991635_100000230394 [1,0,0,0,0,0|2,0,1]=4 155 B7R0.3 CCSCC(=O)NC 1626a_100102657272_100000230394 [1,0,0,0,0,0|2,0,1]=4 156 B7R0.3 CCSCC(=O)NC 240690a_100102657272_100000230394 [1,0,0,0,0,0|2,0,1]=4 157 B7R0.3 CCSCC(=O)NC 527a_100102657272_100000230394 [1,0,0,0,0,0|2,0,1]=4 158 B7R0.3 CCSCC(=O)NC 62a_100000183359_100000210202 [1,0,0,0,0,0|2,0,1]=4 159 B7R0.3 CCSCC(=O)NC 62a_100000210202_100000183359 [1,0,0,0,0,0|2,0,1]=4 160 B7R0.3 CCSCC(=O)OC 62a_100000210202_100000747449 [1,0,0,0,0,0|2,0,1]=4 161 B7R0.3 CCSCC(=O)OC 62a_100000747449_100000210202 [1,0,0,0,0,0|2,0,1]=4 162 B7R0.3 CNC(=O)C=COC 1626a_100102657272_100016268678 [1,0,0,0,0,0|2,0,1]=4 163 B7R0.3 CNC(=O)C=COC 240690a_100102657272_100016268678 [1,0,0,0,0,0|2,0,1]=4 164 B7R0.3 CNC(=O)CCN[13CH3] 2230a_100000738227_200025704644 [1,0,0,0,0,0|2,0,1]=4 165 B7R0.3 CNC(=O)CCN[13CH3] 34a_100000738227_200025704644 [1,0,0,0,0,0|2,0,1]=4 166 B7R0.3 CNC(=O)CCOC 11a_106832991635_100000749529 [1,0,0,0,0,0|2,0,1]=4 167 B7R0.3 CNC(=O)CCOC 1626a_100102657272_100000749529 [1,0,0,0,0,0|2,0,1]=4 168 B7R0.3 CNC(=O)CCOC 240690a_100102657272_100000749529 [1,0,0,0,0,0|2,0,1]=4 169 B7R0.3 CNC(=O)CCOC 34a_100000754576_200000210301 [1,0,0,0,0,0|2,0,1]=4 170 B7R0.3 CNC(=O)CCOC 34a_100138415774_100012179268 [1,0,0,0,0,0|2,0,1]=4 171 B7R0.3 CNC(=O)CCOC 527a_100102657272_100000749529 [1,0,0,0,0,0|2,0,1]=4 172 B7R0.3 CNC(=O)CCO[13CH3] 34a_100000754576_200025704644 [1,0,0,0,0,0|2,0,1]=4 173 B7R0.3 CNC(=O)CCSC 11a_106832991635_100000174002 [1,0,0,0,0,0|2,0,1]=4 174 B7R0.3 CNC(=O)CCSC 1626a_100102657272_100000174002 [1,0,0,0,0,0|2,0,1]=4 175 B7R0.3 CNC(=O)CCSC 240690a_100102657272_100000174002 [1,0,0,0,0,0|2,0,1]=4 176 B7R0.3 CNC(=O)CCSC 527a_100102657272_100000174002 [1,0,0,0,0,0|2,0,1]=4 177 B7R0.3 CNC(=O)CCSC 62a_100000737683_200000210301 [1,0,0,0,0,0|2,0,1]=4 178 B7R0.3 CNC(=O)CCSC 62a_200000210301_100000737683 [1,0,0,0,0,0|2,0,1]=4 179 B7R0.3 CNC(=O)CCS[13CH3] 62a_100000737683_200025704644 [1,0,0,0,0,0|2,0,1]=4 180 B7R0.3 CNC(=O)CCS[13CH3] 62a_200025704644_100000737683 [1,0,0,0,0,0|2,0,1]=4 181 B7R0.3 CNC(=O)NCCF 2708a_100102657272_100000724931 [1,0,0,0,0,0|3,0,0]=4 182 B7R0.3 CNC(=O)NCCF 273464a_100000724931_100102657272 [1,0,0,0,0,0|3,0,0]=4 183 B7R0.3 CNC(=O)NCCF 273464a_100102657272_100000724931 [1,0,0,0,0,0|3,0,0]=4 184 B7R0.3 CNC(=O)NCCF 512a_106832991638_100000724931 [1,0,0,0,0,0|3,0,0]=4 185 B7R0.3 CNC(=O)NCCO 2708a_100102657272_100000210304 [1,0,0,0,0,0|3,0,0]=4 186 B7R0.3 CNC(=O)NCCO 273464a_100000210304_100102657272 [1,0,0,0,0,0|3,0,0]=4 187 B7R0.3 CNC(=O)NCCO 273464a_100102657272_100000210304 [1,0,0,0,0,0|3,0,0]=4 188 B7R0.3 CNC(=O)NCCO 512a_106832991638_100000210304 [1,0,0,0,0,0|3,0,0]=4 189 B7R0.3 CNCCC(=O)NC 2230a_100000738227_200000210301 [1,0,0,0,0,0|2,0,1]=4 190 B7R0.3 CNCCC(=O)NC 2230a_106832991635_100000737683 [1,0,0,0,0,0|2,0,1]=4 191 B7R0.3 CNCCC(=O)NC 34a_100000738227_200000210301 [1,0,0,0,0,0|2,0,1]=4 192 B7R0.3 CNCCC(=O)NC 34a_100102657272_100012179268 [1,0,0,0,0,0|2,0,1]=4 193 B7R0.3 CNCCC(=O)NC 7a_106832991635_100000737683 [1,0,0,0,0,0|2,0,1]=4 194 B7R0.3 CNCCC(=O)OC 2230a_106832991635_100000204255 [1,0,0,0,0,0|2,0,1]=4 195 B7R0.3 CNCCC(=O)OC 34a_100102657272_100000742370 [1,0,0,0,0,0|2,0,1]=4 196 B7R0.3 CNCCC(=O)OC 7a_106832991635_100000204255 [1,0,0,0,0,0|2,0,1]=4 197 B7R0.3 COC(=O)CCSC 62a_100000204255_200000210301 [1,0,0,0,0,0|2,0,1]=4 198 B7R0.3 COC(=O)CCSC 62a_200000210301_100000204255 [1,0,0,0,0,0|2,0,1]=4 199 B7R0.3 COC(=O)CCS[13CH3] 62a_100000204255_200025704644 [1,0,0,0,0,0|2,0,1]=4 200 B7R0.3 COC(=O)CCS[13CH3] 62a_200025704644_100000204255 [1,0,0,0,0,0|2,0,1]=4 201 B7R0.3 COC(=O)OCSC 62a_200000210301_100000139417 [1,0,0,0,0,0|3,0,0]=4 202 B7R0.3 COC(=O)OCS[13CH3] 62a_200025704644_100000139417 [1,0,0,0,0,0|3,0,0]=4 203 B7R0.3 COC=CC(=O)CF 1458a_100016268678_100015361967 [1,0,0,0,0,0|2,0,1]=4 204 B7R0.3 COCCC(=O)CF 1458a_100000749529_100015361967 [1,0,0,0,0,0|2,0,1]=4 205 B7R0.3 COCCC(=O)CO 1458a_100000210174_100000233755 [1,0,0,0,0,0|2,0,1]=4 206 B7R0.3 COCCC(=O)OC 34a_100138415774_100000742370 [1,0,0,0,0,0|2,0,1]=4 207 B7R0.3 CSCCC(=O)CF 1458a_100000174002_100015361967 [1,0,0,0,0,0|2,0,1]=4 208 B7R0.3 CSCCC(=O)CO 1458a_100000210174_100000751147 [1,0,0,0,0,0|2,0,1]=4 209 B7R0.3 O=C(CO)CCCF 1458a_100000210174_100011934791 [1,0,0,0,0,0|2,0,1]=4 210 B7R0.3 O=C(CO)CCCO 1458a_100000210174_100011215043 [1,0,0,0,0,0|2,0,1]=4 211 B7R0.3 O=C(CO)NCCF 240690a_100000724931_100000210174 [1,0,0,0,0,0|3,0,0]=4 212 B7R0.3 O=C(CO)NCCF 527a_100000724931_100000210174 [1,0,0,0,0,0|3,0,0]=4 213 B7R0.3 O=C(CO)NCCO 240690a_100000210304_100000210174 [1,0,0,0,0,0|3,0,0]=4 214 B7R0.3 O=C(CO)NCCO 527a_100000210304_100000210174 [1,0,0,0,0,0|3,0,0]=4 215 B7R0.12 C=CC(CC)OCC 34a_100000766422_100000210202 [1,0,0,0,0,0|2,0,1]=4 216 B7R0.12 C=CC(CC)OCC 7a_100000766422_100000210202 [1,0,0,0,0,0|2,0,1]=4 217 B7R0.12 C=CC(CCC)OC 34a_100011216692_200000210301 [1,0,0,0,0,0|2,0,1]=4 218 B7R0.12 C=CC(CCC)OC 7a_100011216692_200000210301 [1,0,0,0,0,0|2,0,1]=4 219 B7R0.12 C=CC(CCC)O[13CH3] 34a_100011216692_200025704644 [1,0,0,0,0,0|2,0,1]=4 220 B7R0.12 C=CC(CCC)O[13CH3] 7a_100011216692_200025704644 [1,0,0,0,0,0|2,0,1]=4 221 B7R0.12 CCCC(CC)NC 2230a_100000747048_200000210301 [1,0,0,0,0,0|2,0,1]=4 222 B7R0.12 CCCC(CC)NC 270004a_106832991635_100000687865 [1,0,0,0,0,0|2,0,1]=4 223 B7R0.12 CCCC(CC)NC 7a_106832991635_100011219200 [1,0,0,0,0,0|2,0,1]=4 224 B7R0.12 CCCC(CC)N[13CH3] 2230a_100000747048_200025704644 [1,0,0,0,0,0|2,0,1]=4 225 B7R0.12 CCCC(CC)OC 34a_100000687864_200000210301 [1,0,0,0,0,0|2,0,1]=4 226 B7R0.12 CCCC(CC)OC 7a_100000687864_200000210301 [1,0,0,0,0,0|2,0,1]=4 227 B7R0.12 CCCC(CC)O[13CH3] 34a_100000687864_200025704644 [1,0,0,0,0,0|2,0,1]=4 228 B7R0.12 CCCC(CC)O[13CH3] 7a_100000687864_200025704644 [1,0,0,0,0,0|2,0,1]=4 229 B7R0.12 CCCC(CC)SC 62a_100011219200_200000210301 [1,0,0,0,0,0|2,0,1]=4 230 B7R0.12 CCCC(CC)SC 62a_200000210301_100011219200 [1,0,0,0,0,0|2,0,1]=4 231 B7R0.12 CCCC(CC)S[13CH3] 62a_100011219200_200025704644 [1,0,0,0,0,0|2,0,1]=4 232 B7R0.12 CCCC(CC)S[13CH3] 62a_200025704644_100011219200 [1,0,0,0,0,0|2,0,1]=4 233 B7R0.12 CCCN(CC)CC 2230a_100000226822_100000210202 [1,0,0,0,0,0|2,0,1]=4 234 B7R0.12 CCCN(CC)CC 2230a_100000724800_100000210303 [1,0,0,0,0,0|2,0,1]=4 235 B7R0.12 CCCN(CC)CC 269956a_100000042499_100000210207 [1,0,0,0,0,0|2,0,1]=4 236 B7R0.12 CCCN(CC)CC 269982a_100000226822_100000204670 [1,0,0,0,0,0|2,0,1]=4 237 B7R0.12 CCCN(CC)CC 269982a_100000724800_100000210303 [1,0,0,0,0,0|2,0,1]=4 238 B7R0.12 CCCN(CC)CF 269982a_100000226822_100015361967 [1,0,0,0,0,0|2,0,1]=4 239 B9R0.13 C=CC(OCCC)C(C)C 34a_100000732651_100000210303 [0,1,0,0,0,0|2,0,1]=4 240 B9R0.13 C=CC(OCCC)C(C)C 7a_100000732651_100000210303 [0,1,0,0,0,0|2,0,1]=4 241 B9R0.13 CCC(NCCF)C(=O)N 2230a_100000733705_100011217306 [0,1,0,0,0,0|2,0,1]=4 242 B9R0.13 CCC(NCCF)C(=O)N 34a_100000724931_100000750255 [0,1,0,0,0,0|2,0,1]=4 243 B9R0.13 CCC(NCCF)C(=O)N 34a_100000733705_100011217306 [0,1,0,0,0,0|2,0,1]=4 244 B9R0.13 CCC(NCCO)C(=O)N 2230a_100000733705_100000211926 [0,1,0,0,0,0|2,0,1]=4 245 B9R0.13 CCC(NCCO)C(=O)N 2230a_100016997473_100000750255 [0,1,0,0,0,0|2,0,1]=4 246 B9R0.13 CCC(NCCO)C(=O)N 34a_100000733705_100000211926 [0,1,0,0,0,0|2,0,1]=4 247 B9R0.13 CCC(NCCO)C(=O)N 34a_100016990907_100000750255 [0,1,0,0,0,0|2,0,1]=4 248 B9R0.13 CCC(NCOC)C(=O)N 2230a_100000733705_100000766300 [0,1,0,0,0,0|2,0,1]=4 249 B9R0.13 CCC(NCSC)C(=O)N 2230a_100000733705_100011218213 [0,1,0,0,0,0|2,0,1]=4 250 B9R0.13 CCC(NCSC)C(=O)N 34a_100000733705_100011218213 [0,1,0,0,0,0|2,0,1]=4 251 B9R0.13 CCC(OCCBr)C(=O)N 34a_100000211926_100000750255 [0,1,0,0,0,0|2,0,1]=4 252 B9R0.13 CCC(OCCN)C(=O)N 34a_100000210304_100000750255 [0,1,0,0,0,0|2,0,1]=4 253 B9R0.13 CCC(SCCF)C(=O)N 62a_100000750255_100011217306 [0,1,0,0,0,0|2,0,1]=4 254 B9R0.13 CCC(SCCF)C(=O)N 62a_100011217306_100000750255 [0,1,0,0,0,0|2,0,1]=4 255 B9R0.13 CCC(SCCO)C(=O)N 62a_100000211926_100000750255 [0,1,0,0,0,0|2,0,1]=4 256 B9R0.13 CCC(SCCO)C(=O)N 62a_100000750255_100000211926 [0,1,0,0,0,0|2,0,1]=4 257 B9R0.13 CCC(SCOC)C(=O)N 62a_100000750255_100000766300 [0,1,0,0,0,0|2,0,1]=4 258 B9R0.13 CCC(SCOC)C(=O)N 62a_100000766300_100000750255 [0,1,0,0,0,0|2,0,1]=4 259 B9R0.13 CCC(SCSC)C(=O)N 62a_100000750255_100011218213 [0,1,0,0,0,0|2,0,1]=4 260 B9R0.13 CCC(SCSC)C(=O)N 62a_100011218213_100000750255 [0,1,0,0,0,0|2,0,1]=4 261 B9R0.13 CCCCC(CC)C(=O)C 1458a_100000070787_200011216223 [0,1,0,0,0,0|0,0,2]=3 262 B9R0.13 CCCCC(CC)C(=O)C 1458a_100000211130_200000210301 [0,1,0,0,0,0|0,0,2]=3 263 B9R0.13 CCCCC(CC)C(=O)[13CH3] 1458a_100000211130_200025704644 [0,1,0,0,0,0|0,0,2]=3 264 B9R0.13 CCCCC(NC)C(=O)N 2230a_106832991635_100000748834 [0,1,0,0,0,0|1,0,2]=4 265 B9R0.13 CCCCC(NC)C(=O)N 34a_100102657272_100000748834 [0,1,0,0,0,0|1,0,2]=4 266 B9R0.13 CCCCC(NC)C(=O)N 7a_106832991635_100000748834 [0,1,0,0,0,0|1,0,2]=4 267 B9R0.13 CCCCC(OC)C(=O)N 34a_100138415774_100000748834 [0,1,0,0,0,0|1,0,2]=4 268 B9R0.13 CCCCC(SC)C(=O)N 62a_100000748834_200000210301 [0,1,0,0,0,0|1,0,2]=4 269 B9R0.13 CCCCC(SC)C(=O)N 62a_200000210301_100000748834 [0,1,0,0,0,0|1,0,2]=4 270 B9R0.13 CCCCC(S[13CH3])C(=O)N 62a_100000748834_200025704644 [0,1,0,0,0,0|1,0,2]=4 271 B9R0.13 CCCCC(S[13CH3])C(=O)N 62a_200025704644_100000748834 [0,1,0,0,0,0|1,0,2]=4 272 B9R0.13 CCCCN(CC)C(=O)C 11a_100000207695_100015343762 [0,1,0,0,0,0|1,0,1]=3 273 B9R0.13 CCCCN(CC)C(=O)C 1626a_100000207695_100015343762 [0,1,0,0,0,0|1,0,1]=3 274 B9R0.13 CCCCN(CC)C(=O)C 240690a_100000207695_100015343762 [0,1,0,0,0,0|1,0,1]=3 275 B9R0.13 CCCCN(CC)C(=O)C 527a_100000207695_100103153847 [0,1,0,0,0,0|1,0,1]=3 276 B9R0.13 CCCC[C@H](NC)C(=O)N 2230a_100000124899_200000210301 [0,1,0,0,0,0|1,0,2]=4 277 B9R0.13 CCCC[C@H](NC)C(=O)N 34a_100000124899_200000210301 [0,1,0,0,0,0|1,0,2]=4 278 B9R0.13 CCCC[C@H](N[13CH3])C(=O)N 2230a_100000124899_200025704644 [0,1,0,0,0,0|1,0,2]=4 279 B9R0.13 CCCC[C@H](N[13CH3])C(=O)N 34a_100000124899_200025704644 [0,1,0,0,0,0|1,0,2]=4 280 B9R0.13 CCCNC(CC)C(=O)N 2230a_100000733705_100000210303 [0,1,0,0,0,0|1,0,1]=3 281 B9R0.13 CCCNC(CC)C(=O)N 34a_100000733705_100000210303 [0,1,0,0,0,0|1,0,1]=3 282 B9R0.13 CCCNC(CO)C(=O)O 269956a_100000187304_100000210207 [0,1,0,0,0,0|2,0,1]=4 283 B9R0.13 CCCN[C@@H](CO)C(=O)N 2230a_100000729942_100000210303 [0,1,0,0,0,0|2,0,1]=4 284 B9R0.13 CCCN[C@@H](CO)C(=O)N 34a_100000729942_100000210303 [0,1,0,0,0,0|2,0,1]=4 285 B9R0.13 CCCN[C@H](CC)C(=O)O 269956a_100000747097_100000210207 [0,1,0,0,0,0|1,0,1]=3 286 B9R0.13 CCCOC(CC)C(=O)N 34a_100000210258_100000750255 [0,1,0,0,0,0|1,0,1]=3 287 B9R0.13 CCCSC(CC)C(=O)N 62a_100000210303_100000750255 [0,1,0,0,0,0|1,0,1]=3 288 B9R0.13 CCCSC(CC)C(=O)N 62a_100000750255_100000210303 [0,1,0,0,0,0|1,0,1]=3 289 B9R0.13 CCN(CCOC)C(=O)C 11a_100000731262_100015343762 [0,1,0,0,0,0|2,0,1]=4 290 B9R0.13 CCN(CCOC)C(=O)C 1626a_100000731262_100015343762 [0,1,0,0,0,0|2,0,1]=4 291 B9R0.13 CCN(CCOC)C(=O)C 240690a_100000731262_100015343762 [0,1,0,0,0,0|2,0,1]=4 292 B9R0.13 CCN(CCOC)C(=O)C 527a_100000731262_100103153847 [0,1,0,0,0,0|2,0,1]=4 293 B9R0.13 CC[C@@H](NCCF)C(=O)O 269956a_100000747097_100011217306 [0,1,0,0,0,0|2,0,1]=4 294 B9R0.13 CC[C@@H](NCCO)C(=O)O 269956a_100000747097_100000211926 [0,1,0,0,0,0|2,0,1]=4 295 B9R0.13 CC[C@@H](NCOC)C(=O)O 269956a_100000747097_100000766300 [0,1,0,0,0,0|2,0,1]=4 296 B9R0.13 CC[C@@H](NCSC)C(=O)O 269956a_100000747097_100011218213 [0,1,0,0,0,0|2,0,1]=4 297 B9R0.26 C=CC(CC)OC(C)CC 34a_100000766422_100011215416 [0,1,0,0,0,0|2,0,1]=4 298 B9R0.26 C=CC(CC)OC(C)CC 7a_100000766422_100000758301 [0,1,0,0,0,0|2,0,1]=4 299 B9R0.37 CCCC(=O)C(CC)CC 1458a_100000211163_100000210303 [0,1,0,0,0,0|1,0,2]=4 300 B9R0.37 CCCC(=O)C(CC)CC 1458a_100000211992_100000210505 [0,1,0,0,0,0|1,0,2]=4 301 B9R0.37 CCCC(=O)C(CC)OC 1458a_100000747056_100000210303 [0,1,0,0,0,0|2,0,1]=4 302 B9R0.37 CCCC(=O)N(CC)CC 11a_100000724800_100000211992 [0,1,0,0,0,0|2,0,1]=4 303 B9R0.37 CCCC(=O)N(CC)CC 1626a_100000724800_100000211992 [0,1,0,0,0,0|2,0,1]=4 304 B9R0.37 CCCC(=O)N(CC)CC 240690a_100000724800_100000211992 [0,1,0,0,0,0|2,0,1]=4 305 B9R0.37 CCCC(=O)N(CC)CC 527a_100000724800_100000211992 [0,1,0,0,0,0|2,0,1]=4 306 B9R0.37 CCOC(=O)C(C=O)SC 62a_100000053139_200000210301 [0,1,0,0,0,0|2,0,1]=4 307 B9R0.37 CCOC(=O)C(C=O)SC 62a_200000210301_100000053139 [0,1,0,0,0,0|2,0,1]=4 308 B9R0.37 CCOC(=O)C(C=O)S[13CH3] 62a_100000053139_200025704644 [0,1,0,0,0,0|2,0,1]=4 309 B9R0.37 CCOC(=O)C(C=O)S[13CH3] 62a_200025704644_100000053139 [0,1,0,0,0,0|2,0,1]=4 310 B9R0.40 C=CC(=NNCC)CCC 4a_100000756455_200011215120 [0,1,0,0,0,0|3,0,0]=4 311 B9R0.40 C=CC(CCC)OCCC 34a_100011216692_100000210303 [0,1,0,0,0,0|2,0,1]=4 312 B9R0.40 C=CC(CCC)OCCC 7a_100011216692_100000210303 [0,1,0,0,0,0|2,0,1]=4 313 B9R0.40 C=CC(CCCC)OCC 34a_200011215037_100000210202 [0,1,0,0,0,0|1,0,2]=4 314 B9R0.40 C=CC(CCCC)OCC 7a_200011215037_100000210202 [0,1,0,0,0,0|1,0,2]=4 315 B9R0.40 C=CCN(CC)CCCC 2230a_100000207695_100000210623 [0,1,0,0,0,0|2,0,1]=4 316 B9R0.40 C=CCN(CC)CCCC 269982a_100000207695_100000210623 [0,1,0,0,0,0|2,0,1]=4 317 B9R0.40 CC=CC(=NNCC)CC 4a_100000756455_100102568992 [0,1,0,0,0,0|3,0,0]=4 318 B9R0.40 CCC/C=C(\CC)/CNC 269862a_106832991636_100020616858 [0,1,0,0,0,0|1,0,1]=3 319 B9R0.40 CCC/C=C(\CC)/COC 34a_200015372368_200000210301 [0,1,0,0,0,0|0,0,2]=3 320 B9R0.40 CCC/C=C(\CC)/COC 7a_200015372368_200000210301 [0,1,0,0,0,0|0,0,2]=3 321 B9R0.40 CCC/C=C(\CC)/CO[13CH3] 34a_200015372368_200025704644 [0,1,0,0,0,0|0,0,2]=3 322 B9R0.40 CCC/C=C(\CC)/CO[13CH3] 7a_200015372368_200025704644 [0,1,0,0,0,0|0,0,2]=3 323 B9R0.40 CCCCN(CC)CC=O 2230a_100000207695_200015260668 [0,1,0,0,0,0|1,0,1]=3 324 B9R0.40 CCCCN(CC)CC=O 269982a_100000207695_200015260668 [0,1,0,0,0,0|1,0,1]=3 325 B9R0.40 CCN(CC=O)CCOC 2230a_100000731262_200015260668 [0,1,0,0,0,0|2,0,1]=4 326 B9R0.40 CCN(CC=O)CCOC 269982a_100000731262_200015260668 [0,1,0,0,0,0|2,0,1]=4 327 B9R0.43 C=CC(=NNC(C)C)CC 4a_100000741168_100000747743 [0,1,0,0,0,0|3,0,0]=4 328 B9R0.43 C=CC(CC)OCC(C)C 34a_100000766422_100000210624 [0,1,0,0,0,0|2,0,1]=4 329 B9R0.43 C=CC(CC)OCC(C)C 7a_100000766422_100000210760 [0,1,0,0,0,0|2,0,1]=4 330 B9R0.43 C=CC(CC)OCC(C)O 34a_100000766422_100011218427 [0,1,0,0,0,0|2,0,1]=4 331 B9R0.43 C=CC(CC)OCC(C)O 7a_100000766422_100011218427 [0,1,0,0,0,0|2,0,1]=4 332 B9R0.43 C=CC(CC)OC[C@@H](C)O 34a_100000766422_100009817552 [0,1,0,0,0,0|2,0,1]=4 333 B9R0.43 C=CC(CC)OC[C@@H](C)O 7a_100000766422_100009817552 [0,1,0,0,0,0|2,0,1]=4 334 B9R0.50 C=CC(=NNCCC)CC 4a_100000740057_100000747743 [0,1,0,0,0,0|2,0,0]=3 335 B9R0.50 C=CC(=NNCCO)CC 4a_100000210001_100000747743 [0,1,0,0,0,0|3,0,0]=4 336 B9R0.50 C=CC(CC)OCCCC 34a_100000766422_100000210210 [0,1,0,0,0,0|1,0,2]=4 337 B9R0.50 C=CC(CC)OCCCC 7a_100000766422_100000210211 [0,1,0,0,0,0|1,0,2]=4 338 B9R0.50 C=CC(CC)OCCCF 34a_100000766422_100011934791 [0,1,0,0,0,0|2,0,1]=4 339 B9R0.50 C=CC(CC)OCCCF 7a_100000766422_100011934791 [0,1,0,0,0,0|2,0,1]=4 340 B9R0.50 C=CC(CC)OCCCO 34a_100000766422_100000230001 [0,1,0,0,0,0|2,0,1]=4 341 B9R0.50 C=CC(CC)OCCCO 7a_100000766422_100011215043 [0,1,0,0,0,0|2,0,1]=4 342 B9R0.50 C=CC(CC)OCCOC 34a_100000766422_100011201679 [0,1,0,0,0,0|2,0,1]=4 343 B9R0.50 C=CC(CC)OCCOC 7a_100000766422_100000233755 [0,1,0,0,0,0|2,0,1]=4 344 B9R0.50 C=CC(CC)OCCSC 34a_100000766422_100000212216 [0,1,0,0,0,0|2,0,1]=4 345 B9R0.50 C=CC(CC)OCCSC 7a_100000766422_100000212216 [0,1,0,0,0,0|2,0,1]=4 346 B9R0.50 CCCNN=C(CC)CC 4a_100000740057_100000210860 [0,1,0,0,0,0|2,0,1]=4 347 B9R0.50 CCCNN=C(CC)CO 4a_100000740057_100000725409 [0,1,0,0,0,0|1,0,2]=4 348 B9R1.12 CCNN=C1C=CCC1 4a_100000756455_100000239507 [0,0,0,1,0,0|3,0,0]=4 349 B9R1.15 CNC1CCCCC1=O 34a_100102657272_100000754470 [0,0,0,1,0,0|1,0,2]=4 350 B9R1.15 CNC1CCCCC1=O 7a_106832991635_100000204591 [0,0,0,1,0,0|1,0,2]=4 351 B9R1.15 COC1CCCCC1=O 34a_100011214950_200000210301 [0,0,0,1,0,0|1,0,2]=4 352 B9R1.15 COC1CCCCC1=O 34a_100138415774_100000754470 [0,0,0,1,0,0|1,0,2]=4 353 B9R1.15 CSC1CCCCC1=O 62a_100000204591_200000210301 [0,0,0,1,0,0|1,0,2]=4 354 B9R1.15 CSC1CCCCC1=O 62a_200000210301_100000204591 [0,0,0,1,0,0|1,0,2]=4 355 B9R1.15 [13CH3]OC1CCCCC1=O 34a_100011214950_200025704644 [0,0,0,1,0,0|1,0,2]=4 356 B9R1.15 [13CH3]SC1CCCCC1=O 62a_100000204591_200025704644 [0,0,0,1,0,0|1,0,2]=4 357 B9R1.15 [13CH3]SC1CCCCC1=O 62a_200025704644_100000204591 [0,0,0,1,0,0|1,0,2]=4 358 B9R1.21 CCc1cc(cs1)SC 62a_100009846239_200000210301 [0,0,0,1,0,0|1,1,1]=4 359 B9R1.21 CCc1cc(cs1)SC 62a_200000210301_100009846239 [0,0,0,1,0,0|1,1,1]=4 360 B9R1.21 CCc1cc(cs1)S[13CH3] 62a_100009846239_200025704644 [0,0,0,1,0,0|1,1,1]=4 361 B9R1.21 CCc1cc(cs1)S[13CH3] 62a_200025704644_100009846239 [0,0,0,1,0,0|1,1,1]=4 362 B9R1.21 CCn1cc(cn1)OC 34a_100000708037_200000210301 [0,0,0,1,0,0|3,0,0]=4 363 B9R1.21 CCn1cc(cn1)O[13CH3] 34a_100000708037_200025704644 [0,0,0,1,0,0|3,0,0]=4 364 B9R1.21 CCn1cc(cn1)SC 62a_100011400201_200000210301 [0,0,0,1,0,0|3,0,0]=4 365 B9R1.21 CCn1cc(cn1)SC 62a_200000210301_100011400201 [0,0,0,1,0,0|3,0,0]=4 366 B9R1.21 CCn1cc(cn1)S[13CH3] 62a_100011400201_200025704644 [0,0,0,1,0,0|3,0,0]=4 367 B9R1.21 CCn1cc(cn1)S[13CH3] 62a_200025704644_100011400201 [0,0,0,1,0,0|3,0,0]=4 368 B9R1.39 CCCOC1CCC1=O 34a_100000210258_100009892977 [0,0,0,1,0,0|1,0,1]=3 369 B9R1.39 CCCSC1CCC1=O 62a_100000210303_100009892977 [0,0,0,1,0,0|1,0,1]=3 370 B9R1.39 CCCSC1CCC1=O 62a_100009892977_100000210303 [0,0,0,1,0,0|1,0,1]=3 371 B9R1.39 CNCCC1CCC1=O 2230a_106832991635_200016118888 [0,0,0,1,0,0|1,0,2]=4 372 B9R1.39 CNCCC1CCC1=O 7a_106832991635_200016118888 [0,0,0,1,0,0|1,0,2]=4 373 B9R1.39 COCSC1CCC1=O 62a_100000766300_100009892977 [0,0,0,1,0,0|2,0,1]=4 374 B9R1.39 COCSC1CCC1=O 62a_100009892977_100000766300 [0,0,0,1,0,0|2,0,1]=4 375 B9R1.39 CSCCC1CCC1=O 62a_200000210301_200016118888 [0,0,0,1,0,0|1,0,2]=4 376 B9R1.39 CSCCC1CCC1=O 62a_200016118888_200000210301 [0,0,0,1,0,0|1,0,2]=4 377 B9R1.39 CSCSC1CCC1=O 62a_100009892977_100011218213 [0,0,0,1,0,0|2,0,1]=4 378 B9R1.39 CSCSC1CCC1=O 62a_100011218213_100009892977 [0,0,0,1,0,0|2,0,1]=4 379 B9R1.39 NCCOC1CCC1=O 34a_100000210304_100009892977 [0,0,0,1,0,0|2,0,1]=4 380 B9R1.39 O=C1CCC1NCCF 34a_100000724931_100009892977 [0,0,0,1,0,0|2,0,1]=4 381 B9R1.39 O=C1CCC1NCCO 34a_100016990907_100009892977 [0,0,0,1,0,0|2,0,1]=4 382 B9R1.39 O=C1CCC1OCCBr 34a_100000211926_100009892977 [0,0,0,1,0,0|2,0,1]=4 383 B9R1.39 O=C1CCC1SCCF 62a_100009892977_100011217306 [0,0,0,1,0,0|2,0,1]=4 384 B9R1.39 O=C1CCC1SCCF 62a_100011217306_100009892977 [0,0,0,1,0,0|2,0,1]=4 385 B9R1.39 O=C1CCC1SCCO 62a_100000211926_100009892977 [0,0,0,1,0,0|2,0,1]=4 386 B9R1.39 O=C1CCC1SCCO 62a_100009892977_100000211926 [0,0,0,1,0,0|2,0,1]=4 387 B9R1.39 [13CH3]SCCC1CCC1=O 62a_200016118888_200025704644 [0,0,0,1,0,0|1,0,2]=4 388 B9R1.39 [13CH3]SCCC1CCC1=O 62a_200025704644_200016118888 [0,0,0,1,0,0|1,0,2]=4 389 B9R1.72 C=CC(CC)OC1CC1 34a_100000766422_100000211595 [0,0,0,1,0,0|2,0,1]=4 390 B6R0.1 C#CC(=O)CCC 1458a_100000211873_100000210303 [2,0,0,0,0,0|0,0,2]=4 391 B6R0.1 C#CCC(=O)CC 1458a_100000210414_100000184674 [2,0,0,0,0,0|0,0,2]=4 392 B6R0.1 C#CCC(=O)CC 1458a_100011220946_100000210202 [2,0,0,0,0,0|0,0,2]=4 393 B6R0.1 C=CC(=O)CCC 1458a_100000185746_100000210303 [2,0,0,0,0,0|0,0,2]=4 394 B6R0.1 C=CCC(=O)CC 1458a_100000210193_100000210202 [2,0,0,0,0,0|0,0,2]=4 395 B6R0.1 C=CCC(=O)CC 1458a_100000210414_100000210623 [2,0,0,0,0,0|0,0,2]=4 396 B6R0.1 CC#CC(=O)CC 1458a_100000763181_100000210202 [2,0,0,0,0,0|0,0,2]=4 397 B6R0.1 CC=CC(=O)CC 1458a_100000210699_100000210202 [2,0,0,0,0,0|0,0,1]=3 398 B6R0.1 CC=CC(=O)CF 1458a_100000210699_100015361967 [2,0,0,0,0,0|1,0,1]=4 399 B6R0.1 CC=CC(=O)NC 11a_106832991635_100000210699 [2,0,0,0,0,0|1,0,1]=4 400 B6R0.1 CC=CC(=O)NC 1626a_100102657272_100000210699 [2,0,0,0,0,0|1,0,1]=4 401 B6R0.1 CC=CC(=O)NC 240690a_100102657272_100000210699 [2,0,0,0,0,0|1,0,1]=4 402 B6R0.1 CCC(=O)C=CBr 1458a_100016273825_100000210202 [2,0,0,0,0,0|1,0,1]=4 403 B6R0.1 CCC(=O)C=CCl 1458a_200016279998_100000210202 [2,0,0,0,0,0|1,0,1]=4 404 B6R0.1 CCC(=O)C=CI 1458a_100016256311_100000210202 [2,0,0,0,0,0|1,0,1]=4 405 B6R0.1 CCC(=O)CC#N 1458a_100000210414_100011214920 [2,0,0,0,0,0|1,0,1]=4 406 B6R0.1 CCC(=O)CC#N 1458a_100051588842_100000210202 [2,0,0,0,0,0|1,0,1]=4 407 B6R0.1 CCC(=O)CCF 1458a_100000210414_100011217306 [2,0,0,0,0,0|1,0,0]=3 408 B6R0.1 CCC(=O)CCO 1458a_100000210414_100000211926 [2,0,0,0,0,0|1,0,0]=3 409 B6R0.1 CCC(=O)CCO 1458a_100011216618_100000210202 [2,0,0,0,0,0|1,0,0]=3 410 B6R0.1 CCC(=O)CNC 7a_106832991635_100000747405 [2,0,0,0,0,0|1,0,0]=3 411 B6R0.1 CCC(=O)COC 1458a_100000210968_100000210202 [2,0,0,0,0,0|1,0,0]=3 412 B6R0.1 CCC(=O)COC 34a_100000725409_200000210301 [2,0,0,0,0,0|1,0,0]=3 413 B6R0.1 CCC(=O)CO[13CH3] 34a_100000725409_200025704644 [2,0,0,0,0,0|1,0,0]=3 414 B6R0.1 CCC(=O)CSC 1458a_100000184570_100000210202 [2,0,0,0,0,0|1,0,0]=3 415 B6R0.1 CCC(=O)CSC 62a_100000747405_200000210301 [2,0,0,0,0,0|1,0,0]=3 416 B6R0.1 CCC(=O)CSC 62a_200000210301_100000747405 [2,0,0,0,0,0|1,0,0]=3 417 B6R0.1 CCC(=O)CS[13CH3] 62a_100000747405_200025704644 [2,0,0,0,0,0|1,0,0]=3 418 B6R0.1 CCC(=O)CS[13CH3] 62a_200025704644_100000747405 [2,0,0,0,0,0|1,0,0]=3 419 B6R0.1 CCC(=O)NNC 22a_100016993582_100000210414 [2,0,0,0,0,0|2,0,0]=4 420 B6R0.1 CCCC(=O)CC 1458a_100000210414_100000210303 [2,0,0,0,0,0|0,0,0]=2 421 B6R0.1 CCCC(=O)CC 1458a_100000211992_100000210202 [2,0,0,0,0,0|0,0,0]=2 422 B6R0.1 CCCC(=O)CF 1458a_100000211992_100015361967 [2,0,0,0,0,0|1,0,0]=3 423 B6R0.1 CCCC(=O)CO 1458a_100000210174_100000210303 [2,0,0,0,0,0|1,0,0]=3 424 B6R0.1 CCCC(=O)NC 11a_106832991635_100000211992 [2,0,0,0,0,0|1,0,0]=3 425 B6R0.1 CCCC(=O)NC 1626a_100102657272_100000211992 [2,0,0,0,0,0|1,0,0]=3 426 B6R0.1 CCCC(=O)NC 240690a_100102657272_100000211992 [2,0,0,0,0,0|1,0,0]=3 427 B6R0.1 CCCC(=O)NC 527a_100102657272_100000211992 [2,0,0,0,0,0|1,0,0]=3 428 B6R0.1 CCCN(C)CC 2230a_100000225621_100000210303 [2,0,0,0,0,0|1,0,1]=4 429 B6R0.1 CCCN(C)CC 2230a_100000226822_200000210301 [2,0,0,0,0,0|1,0,1]=4 430 B6R0.1 CCCN(C)CC 2230a_100000747261_100000210202 [2,0,0,0,0,0|1,0,1]=4 431 B6R0.1 CCCN(C)CC 269982a_100000225621_100000210303 [2,0,0,0,0,0|1,0,1]=4 432 B6R0.1 CCCN(C)CC 269982a_100000226822_200000210301 [2,0,0,0,0,0|1,0,1]=4 433 B6R0.1 CCCN(C)CC 269982a_100000747261_100000204670 [2,0,0,0,0,0|1,0,1]=4 434 B6R0.1 CCCN([13CH3])CC 2230a_100000226822_200025704644 [2,0,0,0,0,0|1,0,1]=4 435 B6R0.1 CCCN([13CH3])CC 269982a_100000226822_200025704644 [2,0,0,0,0,0|1,0,1]=4 436 B6R0.1 CCNC(=O)CC 11a_100015525214_100000210414 [2,0,0,0,0,0|1,0,0]=3 437 B6R0.1 CCNC(=O)CC 240690a_100015525214_100000210414 [2,0,0,0,0,0|1,0,0]=3 438 B6R0.1 CCNC(=O)CC 527a_100015525214_100000210414 [2,0,0,0,0,0|1,0,0]=3 439 B6R0.1 CCNC(=O)CO 240690a_100015525214_100000210174 [2,0,0,0,0,0|2,0,0]=4 440 B6R0.1 CCNC(=O)CO 527a_100015525214_100000210174 [2,0,0,0,0,0|2,0,0]=4 441 B6R0.1 CCNC(=O)NC 2708a_100015525214_106832991635 [2,0,0,0,0,0|2,0,0]=4 442 B6R0.1 CCNC(=O)NC 2708a_100102657272_100015525214 [2,0,0,0,0,0|2,0,0]=4 443 B6R0.1 CCNC(=O)NC 273464a_100015525214_100102657272 [2,0,0,0,0,0|2,0,0]=4 444 B6R0.1 CCNC(=O)NC 273464a_100102657272_100015525214 [2,0,0,0,0,0|2,0,0]=4 445 B6R0.1 CCNC(=O)NC 512a_100015525214_100102657272 [2,0,0,0,0,0|2,0,0]=4 446 B6R0.1 CCNC(=O)NC 512a_106832991638_100015525214 [2,0,0,0,0,0|2,0,0]=4 447 B6R0.1 CNC(=O)CCO 240690a_100102657272_100011216618 [2,0,0,0,0,0|2,0,0]=4 448 B6R0.1 CNC(=O)CN[13CH3] 2230a_100000693194_200025704644 [2,0,0,0,0,0|2,0,0]=4 449 B6R0.1 CNC(=O)COC 11a_106832991635_100000210968 [2,0,0,0,0,0|2,0,0]=4 450 B6R0.1 CNC(=O)COC 1626a_100102657272_100000210968 [2,0,0,0,0,0|2,0,0]=4 451 B6R0.1 CNC(=O)COC 240690a_100102657272_100000210968 [2,0,0,0,0,0|2,0,0]=4 452 B6R0.1 CNC(=O)COC 34a_100000750040_200000210301 [2,0,0,0,0,0|2,0,0]=4 453 B6R0.1 CNC(=O)COC 34a_100138415774_100000183359 [2,0,0,0,0,0|2,0,0]=4 454 B6R0.1 CNC(=O)COC 527a_100102657272_100000210968 [2,0,0,0,0,0|2,0,0]=4 455 B6R0.1 CNC(=O)CO[13CH3] 34a_100000750040_200025704644 [2,0,0,0,0,0|2,0,0]=4 456 B6R0.1 CNC(=O)CSC 11a_106832991635_100000184570 [2,0,0,0,0,0|2,0,0]=4 457 B6R0.1 CNC(=O)CSC 1626a_100102657272_100000184570 [2,0,0,0,0,0|2,0,0]=4 458 B6R0.1 CNC(=O)CSC 240690a_100102657272_100000184570 [2,0,0,0,0,0|2,0,0]=4 459 B6R0.1 CNC(=O)CSC 527a_100102657272_100000184570 [2,0,0,0,0,0|2,0,0]=4 460 B6R0.1 CNC(=O)CSC 62a_100000183359_200000210301 [2,0,0,0,0,0|2,0,0]=4 461 B6R0.1 CNC(=O)CSC 62a_200000210301_100000183359 [2,0,0,0,0,0|2,0,0]=4 462 B6R0.1 CNC(=O)CS[13CH3] 62a_100000183359_200025704644 [2,0,0,0,0,0|2,0,0]=4 463 B6R0.1 CNC(=O)CS[13CH3] 62a_200025704644_100000183359 [2,0,0,0,0,0|2,0,0]=4 464 B6R0.1 CNCC(=O)NC 2230a_100000693194_200000210301 [2,0,0,0,0,0|2,0,0]=4 465 B6R0.1 CNCC(=O)NC 2230a_106832991635_100000183359 [2,0,0,0,0,0|2,0,0]=4 466 B6R0.1 CNCC(=O)NC 34a_100102657272_100000183359 [2,0,0,0,0,0|2,0,0]=4 467 B6R0.1 CNCC(=O)NC 7a_106832991635_100000183359 [2,0,0,0,0,0|2,0,0]=4 468 B6R0.1 CNCC(=O)OC 2230a_106832991635_100000747449 [2,0,0,0,0,0|2,0,0]=4 469 B6R0.1 CNCC(=O)OC 34a_100102657272_100000747449 [2,0,0,0,0,0|2,0,0]=4 470 B6R0.1 CNCC(=O)OC 7a_106832991635_100000747449 [2,0,0,0,0,0|2,0,0]=4 471 B6R0.1 COC(=O)CSC 62a_100000747449_200000210301 [2,0,0,0,0,0|2,0,0]=4 472 B6R0.1 COC(=O)CSC 62a_200000210301_100000747449 [2,0,0,0,0,0|2,0,0]=4 473 B6R0.1 COC(=O)CS[13CH3] 62a_100000747449_200025704644 [2,0,0,0,0,0|2,0,0]=4 474 B6R0.1 COC(=O)CS[13CH3] 62a_200025704644_100000747449 [2,0,0,0,0,0|2,0,0]=4 475 B6R0.1 COCC(=O)CF 1458a_100000210968_100015361967 [2,0,0,0,0,0|2,0,0]=4 476 B6R0.1 COCC(=O)OC 34a_100138415774_100000747449 [2,0,0,0,0,0|2,0,0]=4 477 B6R0.1 CSCC(=O)CF 1458a_100000184570_100015361967 [2,0,0,0,0,0|2,0,0]=4 478 B6R0.1 O=C(CF)CCO 1458a_100011216618_100015361967 [2,0,0,0,0,0|2,0,0]=4 479 B6R0.1 O=C(CO)CCF 1458a_100000210174_100011217306 [2,0,0,0,0,0|2,0,0]=4 480 B6R0.1 O=C(CO)CCO 1458a_100000210174_100000211926 [2,0,0,0,0,0|2,0,0]=4 481 B6R0.4 C=C(C)CCNC 2230a_106832991635_100000730704 [2,0,0,0,0,0|1,0,1]=4 482 B6R0.4 C=C(C)CCNC 34a_100102657272_100000730704 [2,0,0,0,0,0|1,0,1]=4 483 B6R0.4 C=C(C)CCNC 7a_106832991635_100000730704 [2,0,0,0,0,0|1,0,1]=4 484 B6R0.4 C=C(C)CCOC 34a_100000764851_200000210301 [2,0,0,0,0,0|1,0,1]=4 485 B6R0.4 C=C(C)CCOC 34a_100138415774_100000730704 [2,0,0,0,0,0|1,0,1]=4 486 B6R0.4 C=C(C)CCO[13CH3] 34a_100000764851_200025704644 [2,0,0,0,0,0|1,0,1]=4 487 B6R0.4 C=C(C)CCSC 62a_100000730704_200000210301 [2,0,0,0,0,0|1,0,1]=4 488 B6R0.4 C=C(C)CCSC 62a_200000210301_100000730704 [2,0,0,0,0,0|1,0,1]=4 489 B6R0.4 C=C(C)CCS[13CH3] 62a_100000730704_200025704644 [2,0,0,0,0,0|1,0,1]=4 490 B6R0.4 C=C(C)CCS[13CH3] 62a_200025704644_100000730704 [2,0,0,0,0,0|1,0,1]=4 491 B6R0.4 C=C(C)CNCC 2230a_100015525214_100000748629 [2,0,0,0,0,0|1,0,1]=4 492 B6R0.4 C=C(C)COCC 34a_100000210245_100000210202 [2,0,0,0,0,0|1,0,1]=4 493 B6R0.4 C=C(C)COCC 34a_100121572206_100000748629 [2,0,0,0,0,0|1,0,1]=4 494 B6R0.4 C=C(C)CSCC 62a_100000210202_100000211660 [2,0,0,0,0,0|1,0,1]=4 495 B6R0.4 C=C(C)CSCC 62a_100000748629_100000210202 [2,0,0,0,0,0|1,0,1]=4 496 B6R0.4 CC(=CCN[13CH3])C 34a_100000718196_200025704644 [2,0,0,0,0,0|1,0,1]=4 497 B6R0.4 CC(=CCO[13CH3])C 34a_100000753907_200025704644 [2,0,0,0,0,0|1,0,1]=4 498 B6R0.4 CC(=CCS[13CH3])C 62a_100000761012_200025704644 [2,0,0,0,0,0|1,0,1]=4 499 B6R0.4 CC(=CCS[13CH3])C 62a_200025704644_100000761012 [2,0,0,0,0,0|1,0,1]=4 500 B6R0.4 CC(=O)CCCF 1458a_100000070787_100011934791 [2,0,0,0,0,0|1,0,1]=4 501 B6R0.4 CC(=O)CCCO 1458a_100000070787_100011215043 [2,0,0,0,0,0|1,0,1]=4 502 B6R0.4 CC(=O)CCO[13CH3] 34a_100000759926_200025704644 [2,0,0,0,0,0|1,0,1]=4 503 B6R0.4 CC(=O)CCO[13CH3] 7a_100000759926_200025704644 [2,0,0,0,0,0|1,0,1]=4 504 B6R0.4 CC(=O)CCS[13CH3] 62a_100000053229_200025704644 [2,0,0,0,0,0|1,0,1]=4 505 B6R0.4 CC(=O)CCS[13CH3] 62a_200025704644_100000053229 [2,0,0,0,0,0|1,0,1]=4 506 B6R0.4 CC(=O)NCCF 11a_100000724931_100015343762 [2,0,0,0,0,0|2,0,0]=4 507 B6R0.4 CC(=O)NCCF 1626a_100000724931_100015343762 [2,0,0,0,0,0|2,0,0]=4 508 B6R0.4 CC(=O)NCCF 240690a_100000724931_100015343762 [2,0,0,0,0,0|2,0,0]=4 509 B6R0.4 CC(=O)NCCF 527a_100000724931_100103153847 [2,0,0,0,0,0|2,0,0]=4 510 B6R0.4 CC(=O)NCCO 240690a_100000210304_100015343762 [2,0,0,0,0,0|2,0,0]=4 511 B6R0.4 CC(=O)NCCO 527a_100000210304_100103153847 [2,0,0,0,0,0|2,0,0]=4 512 B6R0.4 CC(=O)OCS[13CH3] 62a_100000076356_200025704644 [2,0,0,0,0,0|2,0,0]=4 513 B6R0.4 CC(=O)OCS[13CH3] 62a_200025704644_100000076356 [2,0,0,0,0,0|2,0,0]=4 514 B6R0.4 CCC#CC(=O)C 1458a_100011827653_200000210301 [2,0,0,0,0,0|0,0,2]=4 515 B6R0.4 CCC#CC(=O)[13CH3] 1458a_100011827653_200025704644 [2,0,0,0,0,0|0,0,2]=4 516 B6R0.4 CCC=CC(=O)C 1458a_100000212282_200000210301 [2,0,0,0,0,0|0,0,1]=3 517 B6R0.4 CCC=CC(=O)[13CH3] 1458a_100000212282_200025704644 [2,0,0,0,0,0|0,0,1]=3 518 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [2,0,0,0,0,0|0,0,1]=3 519 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [2,0,0,0,0,0|0,0,1]=3 520 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [2,0,0,0,0,0|0,0,1]=3 521 B6R0.4 CCCNC(=O)C 11a_100020643023_100015343762 [2,0,0,0,0,0|1,0,0]=3 522 B6R0.4 CCCNC(=O)C 1626a_100020643023_100015343762 [2,0,0,0,0,0|1,0,0]=3 523 B6R0.4 CCCNC(=O)C 240690a_100020643023_100015343762 [2,0,0,0,0,0|1,0,0]=3 524 B6R0.4 CCCNC(=O)C 527a_100020643023_100103153847 [2,0,0,0,0,0|1,0,0]=3 525 B6R0.4 CCNNC(=O)C 22a_100000756455_100000070787 [2,0,0,0,0,0|2,0,0]=4 526 B6R0.4 CCOCC(=O)C 1458a_100000211967_200000210301 [2,0,0,0,0,0|1,0,1]=4 527 B6R0.4 CCOCC(=O)C 34a_100000211253_100000210202 [2,0,0,0,0,0|1,0,1]=4 528 B6R0.4 CCOCC(=O)[13CH3] 1458a_100000211967_200025704644 [2,0,0,0,0,0|1,0,1]=4 529 B6R0.4 CCSCC(=O)C 1458a_100000230394_200000210301 [2,0,0,0,0,0|1,0,1]=4 530 B6R0.4 CCSCC(=O)[13CH3] 1458a_100000230394_200025704644 [2,0,0,0,0,0|1,0,1]=4 531 B6R0.4 CNCC=C(C)C 2230a_106832991635_100000761012 [2,0,0,0,0,0|1,0,1]=4 532 B6R0.4 CNCC=C(C)C 34a_100000718196_200000210301 [2,0,0,0,0,0|1,0,1]=4 533 B6R0.4 CNCC=C(C)C 34a_100102657272_100000761012 [2,0,0,0,0,0|1,0,1]=4 534 B6R0.4 CNCC=C(C)C 7a_106832991635_100000761012 [2,0,0,0,0,0|1,0,1]=4 535 B6R0.4 CNCCC(=O)C 7a_106832991635_100000053229 [2,0,0,0,0,0|1,0,1]=4 536 B6R0.4 CNCOC(=O)C 34a_100102657272_100009813279 [2,0,0,0,0,0|2,0,0]=4 537 B6R0.4 COC=CC(=O)C 1458a_100016268678_200000210301 [2,0,0,0,0,0|1,0,1]=4 538 B6R0.4 COC=CC(=O)[13CH3] 1458a_100016268678_200025704644 [2,0,0,0,0,0|1,0,1]=4 539 B6R0.4 COCC=C(C)C 34a_100000753907_200000210301 [2,0,0,0,0,0|1,0,1]=4 540 B6R0.4 COCC=C(C)C 34a_100138415774_100000761012 [2,0,0,0,0,0|1,0,1]=4 541 B6R0.4 COCCC(=O)C 1458a_100000070787_100000233755 [2,0,0,0,0,0|1,0,1]=4 542 B6R0.4 COCCC(=O)C 1458a_100000749529_200000210301 [2,0,0,0,0,0|1,0,1]=4 543 B6R0.4 COCCC(=O)C 34a_100000759926_200000210301 [2,0,0,0,0,0|1,0,1]=4 544 B6R0.4 COCCC(=O)C 7a_100000759926_200000210301 [2,0,0,0,0,0|1,0,1]=4 545 B6R0.4 COCCC(=O)[13CH3] 1458a_100000749529_200025704644 [2,0,0,0,0,0|1,0,1]=4 546 B6R0.4 COCOC(=O)C 34a_100138415774_100009813279 [2,0,0,0,0,0|2,0,0]=4 547 B6R0.4 CSCC=C(C)C 62a_100000761012_200000210301 [2,0,0,0,0,0|1,0,1]=4 548 B6R0.4 CSCC=C(C)C 62a_200000210301_100000761012 [2,0,0,0,0,0|1,0,1]=4 549 B6R0.4 CSCCC(=O)C 1458a_100000070787_100000751147 [2,0,0,0,0,0|1,0,1]=4 550 B6R0.4 CSCCC(=O)C 1458a_100000174002_200000210301 [2,0,0,0,0,0|1,0,1]=4 551 B6R0.4 CSCCC(=O)C 62a_100000053229_200000210301 [2,0,0,0,0,0|1,0,1]=4 552 B6R0.4 CSCCC(=O)C 62a_200000210301_100000053229 [2,0,0,0,0,0|1,0,1]=4 553 B6R0.4 CSCCC(=O)[13CH3] 1458a_100000174002_200025704644 [2,0,0,0,0,0|1,0,1]=4 554 B6R0.4 CSCOC(=O)C 62a_100000076356_200000210301 [2,0,0,0,0,0|2,0,0]=4 555 B6R0.4 CSCOC(=O)C 62a_200000210301_100000076356 [2,0,0,0,0,0|2,0,0]=4 556 B6R0.6 CC/C=C\CNC 2230a_106832991635_100103147603 [2,0,0,0,0,0|1,0,0]=3 557 B6R0.6 CC/C=C\CNC 34a_100102657272_100103147603 [2,0,0,0,0,0|1,0,0]=3 558 B6R0.6 CC/C=C\CNC 7a_106832991635_100103147603 [2,0,0,0,0,0|1,0,0]=3 559 B6R0.6 CC/C=C\COC 34a_100016268518_200000210301 [2,0,0,0,0,0|1,0,0]=3 560 B6R0.6 CC/C=C\COC 34a_100138415774_100103147603 [2,0,0,0,0,0|1,0,0]=3 561 B6R0.6 CC/C=C\CO[13CH3] 34a_100016268518_200025704644 [2,0,0,0,0,0|1,0,0]=3 562 B6R0.6 CC/C=C\CSC 62a_100103147603_200000210301 [2,0,0,0,0,0|1,0,0]=3 563 B6R0.6 CC/C=C\CSC 62a_200000210301_100103147603 [2,0,0,0,0,0|1,0,0]=3 564 B6R0.6 CC/C=C\CS[13CH3] 62a_100103147603_200025704644 [2,0,0,0,0,0|1,0,0]=3 565 B6R0.6 CC/C=C\CS[13CH3] 62a_200025704644_100103147603 [2,0,0,0,0,0|1,0,0]=3 566 B6R0.6 CCC=NNCC 4a_100000756455_100000210100 [2,0,0,0,0,0|2,0,0]=4 567 B6R0.6 CCCCNCC 2230a_100000102301_100000210202 [2,0,0,0,0,0|1,0,1]=4 568 B6R0.6 CCCCNCC 2230a_100015525214_100000210211 [2,0,0,0,0,0|1,0,1]=4 569 B6R0.6 CCCCNCC 7a_106832991798_100000210202 [2,0,0,0,0,0|1,0,1]=4 570 B6R0.6 CCCCOCC 34a_100000210227_100000210202 [2,0,0,0,0,0|1,0,1]=4 571 B6R0.6 CCCCOCC 34a_100121572206_100000210210 [2,0,0,0,0,0|1,0,1]=4 572 B6R0.6 CCCCOCC 7a_100000210227_100000210202 [2,0,0,0,0,0|1,0,1]=4 573 B6R0.6 CCCCSCC 62a_100000210202_100000210210 [2,0,0,0,0,0|1,0,1]=4 574 B6R0.6 CCCCSCC 62a_100000210211_100000210202 [2,0,0,0,0,0|1,0,1]=4 575 B6R0.6 CCCOCC=O 34a_100000210258_200009817547 [2,0,0,0,0,0|1,0,1]=4 576 B6R0.6 CCCOCCC 34a_100000210258_100000210303 [2,0,0,0,0,0|1,0,1]=4 577 B6R0.6 CCCSCC=O 62a_100000210303_200015260668 [2,0,0,0,0,0|1,0,1]=4 578 B6R0.6 CCCSCC=O 62a_200015260668_100000210303 [2,0,0,0,0,0|1,0,1]=4 579 B6R0.6 CCCSCCC 62a_100000210303_100000210303 [2,0,0,0,0,0|1,0,1]=4 580 B8R0.1 C#CCC(=O)C=CCC 1458a_100000212282_100000184674 [1,1,0,0,0,0|0,0,2]=4 581 B8R0.1 C#CCC(=O)CCCC 1458a_100000210183_100000184674 [1,1,0,0,0,0|0,0,2]=4 582 B8R0.1 C#CCC(=O)CCCC 1458a_100011220946_100000210211 [1,1,0,0,0,0|0,0,2]=4 583 B8R0.1 C#CCC(=O)NCCC 1626a_100020643023_100011220946 [1,1,0,0,0,0|1,0,1]=4 584 B8R0.1 C#CCC(=O)NCCC 527a_100020643023_100011220946 [1,1,0,0,0,0|1,0,1]=4 585 B8R0.1 C=C(CNC)OCOC 34a_100102657272_100000042856 [1,1,0,0,0,0|2,0,0]=4 586 B8R0.1 C=C(COC)OCOC 34a_100138415774_100000042856 [1,1,0,0,0,0|2,0,0]=4 587 B8R0.1 C=C(CSC)OCOC 62a_100000042856_200000210301 [1,1,0,0,0,0|2,0,0]=4 588 B8R0.1 C=C(CSC)OCOC 62a_200000210301_100000042856 [1,1,0,0,0,0|2,0,0]=4 589 B8R0.1 C=C(CS[13CH3])OCOC 62a_100000042856_200025704644 [1,1,0,0,0,0|2,0,0]=4 590 B8R0.1 C=C(CS[13CH3])OCOC 62a_200025704644_100000042856 [1,1,0,0,0,0|2,0,0]=4 591 B8R0.1 C=CCC(=O)C=CCC 1458a_100000212282_100000210623 [1,1,0,0,0,0|0,0,2]=4 592 B8R0.1 C=CCC(=O)CCCC 1458a_100000210183_100000210623 [1,1,0,0,0,0|0,0,2]=4 593 B8R0.1 C=CCC(=O)CCCC 1458a_100000210193_100000210211 [1,1,0,0,0,0|0,0,2]=4 594 B8R0.1 C=CCC(=O)NCCC 11a_100020643023_100000210193 [1,1,0,0,0,0|1,0,1]=4 595 B8R0.1 C=CCC(=O)NCCC 1626a_100020643023_100000210193 [1,1,0,0,0,0|1,0,1]=4 596 B8R0.1 C=CCC(=O)NCCC 240690a_100020643023_100000210193 [1,1,0,0,0,0|1,0,1]=4 597 B8R0.1 C=CCC(=O)NCCC 527a_100020643023_100000210193 [1,1,0,0,0,0|1,0,1]=4 598 B8R0.1 CC#CC(=O)CCCC 1458a_100000763181_100000210211 [1,1,0,0,0,0|0,0,2]=4 599 B8R0.1 CC=CC(=O)CCCC 1458a_100000210699_100000210211 [1,1,0,0,0,0|0,0,2]=4 600 B8R0.1 CC=CC(=O)NCCC 11a_100020643023_100000210699 [1,1,0,0,0,0|1,0,1]=4 601 B8R0.1 CC=CC(=O)NCCC 1626a_100020643023_100000210699 [1,1,0,0,0,0|1,0,1]=4 602 B8R0.1 CC=CC(=O)NCCC 240690a_100020643023_100000210699 [1,1,0,0,0,0|1,0,1]=4 603 B8R0.1 CCC#CC(=O)CCC 1458a_100011827653_100000210303 [1,1,0,0,0,0|0,0,2]=4 604 B8R0.1 CCC#CC(=O)CCF 1458a_100011827653_100011217306 [1,1,0,0,0,0|0,0,2]=4 605 B8R0.1 CCC#CC(=O)CCO 1458a_100011827653_100000211926 [1,1,0,0,0,0|0,0,2]=4 606 B8R0.1 CCC=CC(=O)CC#N 1458a_100000212282_100011214920 [1,1,0,0,0,0|0,0,2]=4 607 B8R0.1 CCC=CC(=O)CCC 1458a_100000212282_100000210303 [1,1,0,0,0,0|0,0,1]=3 608 B8R0.1 CCC=CC(=O)CCF 1458a_100000212282_100011217306 [1,1,0,0,0,0|0,0,1]=3 609 B8R0.1 CCC=CC(=O)CCO 1458a_100000212282_100000211926 [1,1,0,0,0,0|0,0,1]=3 610 B8R0.1 CCC=CC(=O)NCC 11a_100015525214_100000212282 [1,1,0,0,0,0|0,0,1]=3 611 B8R0.1 CCC=CC(=O)NCC 240690a_100015525214_100000212282 [1,1,0,0,0,0|0,0,1]=3 612 B8R0.1 CCC=CC(=O)NNC 22a_100016993582_100000212282 [1,1,0,0,0,0|1,0,1]=4 613 B8R0.1 CCCC(=O)C=COC 1458a_100016268678_100000210303 [1,1,0,0,0,0|1,0,1]=4 614 B8R0.1 CCCC(=O)CCCF 1458a_100000211992_100011934791 [1,1,0,0,0,0|1,0,1]=4 615 B8R0.1 CCCC(=O)CCCO 1458a_100000211992_100011215043 [1,1,0,0,0,0|1,0,1]=4 616 B8R0.1 CCCC(=O)CCOC 1458a_100000211992_100000233755 [1,1,0,0,0,0|1,0,1]=4 617 B8R0.1 CCCC(=O)CCOC 1458a_100000749529_100000210303 [1,1,0,0,0,0|1,0,1]=4 618 B8R0.1 CCCC(=O)CCSC 1458a_100000174002_100000210303 [1,1,0,0,0,0|1,0,1]=4 619 B8R0.1 CCCC(=O)CCSC 1458a_100000211992_100000751147 [1,1,0,0,0,0|1,0,1]=4 620 B8R0.1 CCCC(=O)CNCC 2230a_100015525214_100000747444 [1,1,0,0,0,0|1,0,1]=4 621 B8R0.1 CCCC(=O)COCC 1458a_100000211967_100000210303 [1,1,0,0,0,0|1,0,1]=4 622 B8R0.1 CCCC(=O)CSCC 1458a_100000230394_100000210303 [1,1,0,0,0,0|1,0,1]=4 623 B8R0.1 CCCC(=O)CSCC 62a_100000210202_100000747444 [1,1,0,0,0,0|1,0,1]=4 624 B8R0.1 CCCC(=O)CSCC 62a_100000747444_100000210202 [1,1,0,0,0,0|1,0,1]=4 625 B8R0.1 CCCC(=O)NCCF 11a_100000724931_100000211992 [1,1,0,0,0,0|2,0,0]=4 626 B8R0.1 CCCC(=O)NCCF 1626a_100000724931_100000211992 [1,1,0,0,0,0|2,0,0]=4 627 B8R0.1 CCCC(=O)NCCF 240690a_100000724931_100000211992 [1,1,0,0,0,0|2,0,0]=4 628 B8R0.1 CCCC(=O)NCCF 527a_100000724931_100000211992 [1,1,0,0,0,0|2,0,0]=4 629 B8R0.1 CCCC(=O)NCCO 240690a_100000210304_100000211992 [1,1,0,0,0,0|2,0,0]=4 630 B8R0.1 CCCC(=O)NCCO 527a_100000210304_100000211992 [1,1,0,0,0,0|2,0,0]=4 631 B8R0.1 CCCC(=O)NNCC 22a_100000756455_100000211992 [1,1,0,0,0,0|2,0,0]=4 632 B8R0.1 CCCC(=O)OCNC 2230a_106832991635_100000034017 [1,1,0,0,0,0|2,0,0]=4 633 B8R0.1 CCCC(=O)OCNC 34a_100102657272_100000034017 [1,1,0,0,0,0|2,0,0]=4 634 B8R0.1 CCCC(=O)OCOC 34a_100138415774_100000034017 [1,1,0,0,0,0|2,0,0]=4 635 B8R0.1 CCCC(=O)OCSC 62a_200000210301_100000034017 [1,1,0,0,0,0|2,0,0]=4 636 B8R0.1 CCCC(=O)OCS[13CH3] 62a_200025704644_100000034017 [1,1,0,0,0,0|2,0,0]=4 637 B8R0.1 CCCCC(=O)CC#N 1458a_100000210183_100011214920 [1,1,0,0,0,0|0,0,2]=4 638 B8R0.1 CCCCC(=O)CC#N 1458a_100051588842_100000210211 [1,1,0,0,0,0|0,0,2]=4 639 B8R0.1 CCCCC(=O)CCC 1458a_100000210183_100000210303 [1,1,0,0,0,0|0,0,1]=3 640 B8R0.1 CCCCC(=O)CCC 1458a_100000211992_100000210211 [1,1,0,0,0,0|0,0,1]=3 641 B8R0.1 CCCCC(=O)CCF 1458a_100000210183_100011217306 [1,1,0,0,0,0|0,0,1]=3 642 B8R0.1 CCCCC(=O)CCO 1458a_100000210183_100000211926 [1,1,0,0,0,0|0,0,1]=3 643 B8R0.1 CCCCC(=O)CCO 1458a_100011216618_100000210211 [1,1,0,0,0,0|0,0,1]=3 644 B8R0.1 CCCCC(=O)COC 1458a_100000210968_100000210211 [1,1,0,0,0,0|0,0,1]=3 645 B8R0.1 CCCCC(=O)CSC 1458a_100000184570_100000210211 [1,1,0,0,0,0|0,0,1]=3 646 B8R0.1 CCCCC(=O)NCC 11a_100015525214_100000210183 [1,1,0,0,0,0|0,0,1]=3 647 B8R0.1 CCCCC(=O)NCC 240690a_100015525214_100000210183 [1,1,0,0,0,0|0,0,1]=3 648 B8R0.1 CCCCC(=O)NCC 527a_100015525214_100000210183 [1,1,0,0,0,0|0,0,1]=3 649 B8R0.1 CCCCC(=O)NNC 22a_100016993582_100000210183 [1,1,0,0,0,0|1,0,1]=4 650 B8R0.1 CCCCN(C)CC=O 2230a_100000207549_200015260668 [1,1,0,0,0,0|1,0,1]=4 651 B8R0.1 CCCCN(C)CC=O 269982a_100000207549_200015260668 [1,1,0,0,0,0|1,0,1]=4 652 B8R0.1 CCCNC(=O)CC#N 1626a_100020643023_100051588842 [1,1,0,0,0,0|1,0,1]=4 653 B8R0.1 CCCNC(=O)CC#N 240690a_100020643023_100051588842 [1,1,0,0,0,0|1,0,1]=4 654 B8R0.1 CCCNC(=O)CCC 11a_100020643023_100000211992 [1,1,0,0,0,0|1,0,0]=3 655 B8R0.1 CCCNC(=O)CCC 1626a_100020643023_100000211992 [1,1,0,0,0,0|1,0,0]=3 656 B8R0.1 CCCNC(=O)CCC 240690a_100020643023_100000211992 [1,1,0,0,0,0|1,0,0]=3 657 B8R0.1 CCCNC(=O)CCC 527a_100020643023_100000211992 [1,1,0,0,0,0|1,0,0]=3 658 B8R0.1 CCCNC(=O)CCO 240690a_100020643023_100011216618 [1,1,0,0,0,0|1,0,0]=3 659 B8R0.1 CCCNC(=O)CNC 2230a_100000174927_200000210301 [1,1,0,0,0,0|1,0,0]=3 660 B8R0.1 CCCNC(=O)CNC 2230a_106832991635_100000183358 [1,1,0,0,0,0|1,0,0]=3 661 B8R0.1 CCCNC(=O)CNC 34a_100102657272_100000183358 [1,1,0,0,0,0|1,0,0]=3 662 B8R0.1 CCCNC(=O)CNC 7a_106832991635_100000183358 [1,1,0,0,0,0|1,0,0]=3 663 B8R0.1 CCCNC(=O)CN[13CH3] 2230a_100000174927_200025704644 [1,1,0,0,0,0|1,0,0]=3 664 B8R0.1 CCCNC(=O)COC 11a_100020643023_100000210968 [1,1,0,0,0,0|1,0,0]=3 665 B8R0.1 CCCNC(=O)COC 1626a_100020643023_100000210968 [1,1,0,0,0,0|1,0,0]=3 666 B8R0.1 CCCNC(=O)COC 240690a_100020643023_100000210968 [1,1,0,0,0,0|1,0,0]=3 667 B8R0.1 CCCNC(=O)COC 34a_100138415774_100000183358 [1,1,0,0,0,0|1,0,0]=3 668 B8R0.1 CCCNC(=O)COC 527a_100020643023_100000210968 [1,1,0,0,0,0|1,0,0]=3 669 B8R0.1 CCCNC(=O)CSC 11a_100020643023_100000184570 [1,1,0,0,0,0|1,0,0]=3 670 B8R0.1 CCCNC(=O)CSC 1626a_100020643023_100000184570 [1,1,0,0,0,0|1,0,0]=3 671 B8R0.1 CCCNC(=O)CSC 240690a_100020643023_100000184570 [1,1,0,0,0,0|1,0,0]=3 672 B8R0.1 CCCNC(=O)CSC 527a_100020643023_100000184570 [1,1,0,0,0,0|1,0,0]=3 673 B8R0.1 CCCNC(=O)CSC 62a_100000183358_200000210301 [1,1,0,0,0,0|1,0,0]=3 674 B8R0.1 CCCNC(=O)CSC 62a_200000210301_100000183358 [1,1,0,0,0,0|1,0,0]=3 675 B8R0.1 CCCNC(=O)CS[13CH3] 62a_100000183358_200025704644 [1,1,0,0,0,0|1,0,0]=3 676 B8R0.1 CCCNC(=O)CS[13CH3] 62a_200025704644_100000183358 [1,1,0,0,0,0|1,0,0]=3 677 B8R0.1 CCCNC(=O)NCC 2708a_100015525214_100020643023 [1,1,0,0,0,0|1,0,0]=3 678 B8R0.1 CCCNC(=O)NCC 2708a_100020643023_100015525214 [1,1,0,0,0,0|1,0,0]=3 679 B8R0.1 CCCNC(=O)NCC 273464a_100015525214_100020643023 [1,1,0,0,0,0|1,0,0]=3 680 B8R0.1 CCCNC(=O)NCC 273464a_100020643023_100015525214 [1,1,0,0,0,0|1,0,0]=3 681 B8R0.1 CCCNC(=O)NCC 512a_100015525214_100020643023 [1,1,0,0,0,0|1,0,0]=3 682 B8R0.1 CCCNC(=O)NCC 512a_100020643023_100015525214 [1,1,0,0,0,0|1,0,0]=3 683 B8R0.1 CCCNC(=O)NNC 273464a_100020643023_100016993582 [1,1,0,0,0,0|2,0,0]=4 684 B8R0.1 CCCNC(=O)NNC 512a_100016993582_100020643023 [1,1,0,0,0,0|2,0,0]=4 685 B8R0.1 CCCNC(=O)NNC 512a_100020643023_100016993582 [1,1,0,0,0,0|2,0,0]=4 686 B8R0.1 CCCOC(=O)CNC 2230a_106832991635_200011215008 [1,1,0,0,0,0|1,0,0]=3 687 B8R0.1 CCCOC(=O)CNC 34a_100102657272_200011215008 [1,1,0,0,0,0|1,0,0]=3 688 B8R0.1 CCCOC(=O)CNC 7a_106832991635_200011215008 [1,1,0,0,0,0|1,0,0]=3 689 B8R0.1 CCCOC(=O)COC 34a_100138415774_200011215008 [1,1,0,0,0,0|1,0,0]=3 690 B8R0.1 CCCOC(=O)CSC 62a_200000210301_200011215008 [1,1,0,0,0,0|1,0,0]=3 691 B8R0.1 CCCOC(=O)CSC 62a_200011215008_200000210301 [1,1,0,0,0,0|1,0,0]=3 692 B8R0.1 CCCOC(=O)CS[13CH3] 62a_200011215008_200025704644 [1,1,0,0,0,0|1,0,0]=3 693 B8R0.1 CCCOC(=O)CS[13CH3] 62a_200025704644_200011215008 [1,1,0,0,0,0|1,0,0]=3 694 B8R0.1 CCNC(=O)C=COC 240690a_100015525214_100016268678 [1,1,0,0,0,0|1,0,1]=4 695 B8R0.1 CCNC(=O)CCNC 2230a_106832991635_100000737597 [1,1,0,0,0,0|1,0,1]=4 696 B8R0.1 CCNC(=O)CCNC 34a_100025743525_200000210301 [1,1,0,0,0,0|1,0,1]=4 697 B8R0.1 CCNC(=O)CCNC 7a_106832991635_100000737597 [1,1,0,0,0,0|1,0,1]=4 698 B8R0.1 CCNC(=O)CCN[13CH3] 34a_100025743525_200025704644 [1,1,0,0,0,0|1,0,1]=4 699 B8R0.1 CCNC(=O)CCOC 11a_100015525214_100000749529 [1,1,0,0,0,0|1,0,1]=4 700 B8R0.1 CCNC(=O)CCOC 240690a_100015525214_100000749529 [1,1,0,0,0,0|1,0,1]=4 701 B8R0.1 CCNC(=O)CCOC 527a_100015525214_100000749529 [1,1,0,0,0,0|1,0,1]=4 702 B8R0.1 CCNC(=O)CCSC 11a_100015525214_100000174002 [1,1,0,0,0,0|1,0,1]=4 703 B8R0.1 CCNC(=O)CCSC 240690a_100015525214_100000174002 [1,1,0,0,0,0|1,0,1]=4 704 B8R0.1 CCNC(=O)CCSC 527a_100015525214_100000174002 [1,1,0,0,0,0|1,0,1]=4 705 B8R0.1 CCNC(=O)CCSC 62a_100000737597_200000210301 [1,1,0,0,0,0|1,0,1]=4 706 B8R0.1 CCNC(=O)CCSC 62a_200000210301_100000737597 [1,1,0,0,0,0|1,0,1]=4 707 B8R0.1 CCNC(=O)CCS[13CH3] 62a_100000737597_200025704644 [1,1,0,0,0,0|1,0,1]=4 708 B8R0.1 CCNC(=O)CCS[13CH3] 62a_200025704644_100000737597 [1,1,0,0,0,0|1,0,1]=4 709 B8R0.1 CCNC(=O)COCC 11a_100015525214_100000211967 [1,1,0,0,0,0|1,0,1]=4 710 B8R0.1 CCNC(=O)COCC 240690a_100015525214_100000211967 [1,1,0,0,0,0|1,0,1]=4 711 B8R0.1 CCNC(=O)COCC 34a_100121572206_100000183381 [1,1,0,0,0,0|1,0,1]=4 712 B8R0.1 CCNC(=O)COCC 527a_100015525214_100000211967 [1,1,0,0,0,0|1,0,1]=4 713 B8R0.1 CCNC(=O)CSCC 11a_100015525214_100000230394 [1,1,0,0,0,0|1,0,1]=4 714 B8R0.1 CCNC(=O)CSCC 240690a_100015525214_100000230394 [1,1,0,0,0,0|1,0,1]=4 715 B8R0.1 CCNC(=O)CSCC 527a_100015525214_100000230394 [1,1,0,0,0,0|1,0,1]=4 716 B8R0.1 CCNC(=O)CSCC 62a_100000183381_100000210202 [1,1,0,0,0,0|1,0,1]=4 717 B8R0.1 CCNC(=O)CSCC 62a_100000210202_100000183381 [1,1,0,0,0,0|1,0,1]=4 718 B8R0.1 CCNC(=O)NCCF 2708a_100015525214_100000724931 [1,1,0,0,0,0|2,0,0]=4 719 B8R0.1 CCNC(=O)NCCF 273464a_100000724931_100015525214 [1,1,0,0,0,0|2,0,0]=4 720 B8R0.1 CCNC(=O)NCCF 273464a_100015525214_100000724931 [1,1,0,0,0,0|2,0,0]=4 721 B8R0.1 CCNC(=O)NCCF 512a_100015525214_100000724931 [1,1,0,0,0,0|2,0,0]=4 722 B8R0.1 CCNC(=O)NCCO 2708a_100015525214_100000210304 [1,1,0,0,0,0|2,0,0]=4 723 B8R0.1 CCNC(=O)NCCO 273464a_100000210304_100015525214 [1,1,0,0,0,0|2,0,0]=4 724 B8R0.1 CCNC(=O)NCCO 273464a_100015525214_100000210304 [1,1,0,0,0,0|2,0,0]=4 725 B8R0.1 CCNC(=O)NCCO 512a_100015525214_100000210304 [1,1,0,0,0,0|2,0,0]=4 726 B8R0.1 CCNCC(=O)NCC 2230a_100015525214_100000183381 [1,1,0,0,0,0|1,0,1]=4 727 B8R0.1 CCNCC(=O)NCC 2230a_100016988866_100000210202 [1,1,0,0,0,0|1,0,1]=4 728 B8R0.1 CCNCC(=O)OCC 2230a_100015525214_100000188475 [1,1,0,0,0,0|1,0,1]=4 729 B8R0.1 CCNNC(=O)CCO 22a_100000756455_100011216618 [1,1,0,0,0,0|2,0,0]=4 730 B8R0.1 CCNNC(=O)COC 22a_100000756455_100000210968 [1,1,0,0,0,0|2,0,0]=4 731 B8R0.1 CCNNC(=O)CSC 22a_100000756455_100000184570 [1,1,0,0,0,0|2,0,0]=4 732 B8R0.1 CCNNC(=O)NCC 273464a_100015525214_100000756455 [1,1,0,0,0,0|2,0,0]=4 733 B8R0.1 CCNNC(=O)NCC 512a_100000756455_100015525214 [1,1,0,0,0,0|2,0,0]=4 734 B8R0.1 CCNNC(=O)NCC 512a_100015525214_100000756455 [1,1,0,0,0,0|2,0,0]=4 735 B8R0.1 CCOC(=O)CCNC 2230a_106832991635_100011206558 [1,1,0,0,0,0|1,0,1]=4 736 B8R0.1 CCOC(=O)CCNC 34a_100102657272_100000765890 [1,1,0,0,0,0|1,0,1]=4 737 B8R0.1 CCOC(=O)CCNC 7a_106832991635_100011206558 [1,1,0,0,0,0|1,0,1]=4 738 B8R0.1 CCOC(=O)CCOC 34a_100138415774_100000765890 [1,1,0,0,0,0|1,0,1]=4 739 B8R0.1 CCOC(=O)CCSC 62a_100000765890_200000210301 [1,1,0,0,0,0|1,0,1]=4 740 B8R0.1 CCOC(=O)CCSC 62a_200000210301_100000765890 [1,1,0,0,0,0|1,0,1]=4 741 B8R0.1 CCOC(=O)CCS[13CH3] 62a_100000765890_200025704644 [1,1,0,0,0,0|1,0,1]=4 742 B8R0.1 CCOC(=O)CCS[13CH3] 62a_200025704644_100000765890 [1,1,0,0,0,0|1,0,1]=4 743 B8R0.1 CCOC(=O)CSCC 62a_100000188475_100000210202 [1,1,0,0,0,0|1,0,1]=4 744 B8R0.1 CCOC(=O)CSCC 62a_100000210202_100000188475 [1,1,0,0,0,0|1,0,1]=4 745 B8R0.1 CCOC(=O)OCSC 62a_200000210301_100000075025 [1,1,0,0,0,0|2,0,0]=4 746 B8R0.1 CCOC(=O)OCS[13CH3] 62a_200025704644_100000075025 [1,1,0,0,0,0|2,0,0]=4 747 B8R0.1 CCOCC(=O)CCF 1458a_100000211967_100011217306 [1,1,0,0,0,0|1,0,1]=4 748 B8R0.1 CCOCC(=O)CCO 1458a_100000211967_100000211926 [1,1,0,0,0,0|1,0,1]=4 749 B8R0.1 CCOCC(=O)OCC 34a_100121572206_100000188475 [1,1,0,0,0,0|1,0,1]=4 750 B8R0.1 CCSCC(=O)CCF 1458a_100000230394_100011217306 [1,1,0,0,0,0|1,0,1]=4 751 B8R0.1 CCSCC(=O)CCO 1458a_100000230394_100000211926 [1,1,0,0,0,0|1,0,1]=4 752 B8R0.1 CNCC(=O)NCCF 2230a_100000725713_200000210301 [1,1,0,0,0,0|2,0,0]=4 753 B8R0.1 COC=CC(=O)CCF 1458a_100016268678_100011217306 [1,1,0,0,0,0|1,0,1]=4 754 B8R0.1 COC=CC(=O)CCO 1458a_100016268678_100000211926 [1,1,0,0,0,0|1,0,1]=4 755 B8R0.1 COCC(=O)CCCF 1458a_100000210968_100011934791 [1,1,0,0,0,0|1,0,1]=4 756 B8R0.1 COCC(=O)CCCO 1458a_100000210968_100011215043 [1,1,0,0,0,0|1,0,1]=4 757 B8R0.1 COCC(=O)CCSC 1458a_100000210968_100000751147 [1,1,0,0,0,0|1,0,1]=4 758 B8R0.1 COCC(=O)NCCF 11a_100000724931_100000210968 [1,1,0,0,0,0|2,0,0]=4 759 B8R0.1 COCC(=O)NCCF 1626a_100000724931_100000210968 [1,1,0,0,0,0|2,0,0]=4 760 B8R0.1 COCC(=O)NCCF 240690a_100000724931_100000210968 [1,1,0,0,0,0|2,0,0]=4 761 B8R0.1 COCC(=O)NCCF 527a_100000724931_100000210968 [1,1,0,0,0,0|2,0,0]=4 762 B8R0.1 COCC(=O)NCCO 240690a_100000210304_100000210968 [1,1,0,0,0,0|2,0,0]=4 763 B8R0.1 COCC(=O)NCCO 527a_100000210304_100000210968 [1,1,0,0,0,0|2,0,0]=4 764 B8R0.1 COCCC(=O)CCF 1458a_100000749529_100011217306 [1,1,0,0,0,0|1,0,1]=4 765 B8R0.1 COCCC(=O)CCO 1458a_100000749529_100000211926 [1,1,0,0,0,0|1,0,1]=4 766 B8R0.1 COCCC(=O)CCO 1458a_100011216618_100000233755 [1,1,0,0,0,0|1,0,1]=4 767 B8R0.1 COCCC(=O)COC 1458a_100000210968_100000233755 [1,1,0,0,0,0|1,0,1]=4 768 B8R0.1 COCCC(=O)CSC 1458a_100000184570_100000233755 [1,1,0,0,0,0|1,0,1]=4 769 B8R0.1 CSCC(=O)CCCF 1458a_100000184570_100011934791 [1,1,0,0,0,0|1,0,1]=4 770 B8R0.1 CSCC(=O)CCCO 1458a_100000184570_100011215043 [1,1,0,0,0,0|1,0,1]=4 771 B8R0.1 CSCC(=O)NCCF 11a_100000724931_100000184570 [1,1,0,0,0,0|2,0,0]=4 772 B8R0.1 CSCC(=O)NCCF 1626a_100000724931_100000184570 [1,1,0,0,0,0|2,0,0]=4 773 B8R0.1 CSCC(=O)NCCF 240690a_100000724931_100000184570 [1,1,0,0,0,0|2,0,0]=4 774 B8R0.1 CSCC(=O)NCCF 527a_100000724931_100000184570 [1,1,0,0,0,0|2,0,0]=4 775 B8R0.1 CSCC(=O)NCCO 240690a_100000210304_100000184570 [1,1,0,0,0,0|2,0,0]=4 776 B8R0.1 CSCC(=O)NCCO 527a_100000210304_100000184570 [1,1,0,0,0,0|2,0,0]=4 777 B8R0.1 CSCCC(=O)CCF 1458a_100000174002_100011217306 [1,1,0,0,0,0|1,0,1]=4 778 B8R0.1 CSCCC(=O)CCO 1458a_100000174002_100000211926 [1,1,0,0,0,0|1,0,1]=4 779 B8R0.1 CSCCC(=O)CCO 1458a_100011216618_100000751147 [1,1,0,0,0,0|1,0,1]=4 780 B8R0.1 CSCCC(=O)CSC 1458a_100000184570_100000751147 [1,1,0,0,0,0|1,0,1]=4 781 B8R0.1 O=C(CCO)CCCF 1458a_100011216618_100011934791 [1,1,0,0,0,0|1,0,1]=4 782 B8R0.1 O=C(CCO)CCCO 1458a_100011216618_100011215043 [1,1,0,0,0,0|1,0,1]=4 783 B8R0.1 O=C(CCO)NCCF 240690a_100000724931_100011216618 [1,1,0,0,0,0|2,0,0]=4 784 B8R0.1 O=C(CCO)NCCO 240690a_100000210304_100011216618 [1,1,0,0,0,0|2,0,0]=4 785 B8R0.1 [13CH3]NCC(=O)NCCF 2230a_100000725713_200025704644 [1,1,0,0,0,0|2,0,0]=4 786 B8R0.3 C/C=C(\C)/C(=O)CCC 1458a_100020587367_100000210303 [1,1,0,0,0,0|1,0,0]=3 787 B8R0.3 C/C=C(\C)/C(=O)CCF 1458a_100020587367_100011217306 [1,1,0,0,0,0|2,0,0]=4 788 B8R0.3 C/C=C(\C)/C(=O)CCO 1458a_100020587367_100000211926 [1,1,0,0,0,0|2,0,0]=4 789 B8R0.3 C/C=C(\C)/C(=O)NCC 11a_100015525214_100020587367 [1,1,0,0,0,0|2,0,0]=4 790 B8R0.3 C=C(CNC)C(=O)OC 34a_100102657272_100009813391 [1,1,0,0,0,0|2,0,0]=4 791 B8R0.3 C=C(COC)C(=O)OC 34a_100138415774_100009813391 [1,1,0,0,0,0|2,0,0]=4 792 B8R0.3 C=C(CSC)C(=O)OC 62a_100009813391_200000210301 [1,1,0,0,0,0|2,0,0]=4 793 B8R0.3 C=C(CSC)C(=O)OC 62a_200000210301_100009813391 [1,1,0,0,0,0|2,0,0]=4 794 B8R0.3 C=C(CS[13CH3])C(=O)OC 62a_100009813391_200025704644 [1,1,0,0,0,0|2,0,0]=4 795 B8R0.3 C=C(CS[13CH3])C(=O)OC 62a_200025704644_100009813391 [1,1,0,0,0,0|2,0,0]=4 796 B8R0.3 C=CC(C)C(=O)CCC 1458a_100011216780_100000210303 [1,1,0,0,0,0|1,0,1]=4 797 B8R0.3 CC/C=C(\C)/C(=O)CC 1458a_100016988807_100000210202 [1,1,0,0,0,0|0,0,1]=3 798 B8R0.3 CC/C=C(\C)/C(=O)CF 1458a_100016988807_100015361967 [1,1,0,0,0,0|1,0,1]=4 799 B8R0.3 CC/C=C(\C)/C(=O)NC 11a_106832991635_100016988807 [1,1,0,0,0,0|1,0,1]=4 800 B8R0.3 CC/C=C(\C)/C(=O)NC 1626a_100102657272_100016988807 [1,1,0,0,0,0|1,0,1]=4 801 B8R0.3 CC/C=C(\C)/C(=O)NC 240690a_100102657272_100016988807 [1,1,0,0,0,0|1,0,1]=4 802 B8R0.3 CC/C=C(\C)/C(=O)NC 527a_100102657272_100016988807 [1,1,0,0,0,0|1,0,1]=4 803 B8R0.3 CCC(=O)/C(=N/OC)/C 1458a_100160996864_100000210202 [1,1,0,0,0,0|2,0,0]=4 804 B8R0.3 CCC(=O)C(C)CCO 1458a_100000210414_100009893172 [1,1,0,0,0,0|1,0,1]=4 805 B8R0.3 CCC(=O)C(C)COC 1458a_100000210414_100000765312 [1,1,0,0,0,0|1,0,1]=4 806 B8R0.3 CCC(=O)C(C)COC 1458a_100000751857_100000210202 [1,1,0,0,0,0|1,0,1]=4 807 B8R0.3 CCC(=O)C(C)CSC 1458a_100000753918_100000210202 [1,1,0,0,0,0|1,0,1]=4 808 B8R0.3 CCC(=O)N(C)CCO 240690a_100000210263_100000210414 [1,1,0,0,0,0|2,0,0]=4 809 B8R0.3 CCC(=O)N(C)CCO 527a_100000210263_100000210414 [1,1,0,0,0,0|2,0,0]=4 810 B8R0.3 CCCC(=O)C(=O)NC 1458a_100011218921_100000210303 [1,1,0,0,0,0|1,0,0]=3 811 B8R0.3 CCCC(=O)C(C)CC 1458a_100000211992_100000758301 [1,1,0,0,0,0|0,0,2]=4 812 B8R0.3 CCCC(=O)C(C)CC 1458a_100011192722_100000210303 [1,1,0,0,0,0|0,0,2]=4 813 B8R0.3 CCCC(=O)C(O)CC 1458a_100011196387_100000210303 [1,1,0,0,0,0|0,0,2]=4 814 B8R0.3 CCCC(=O)N(C)CC 11a_100000225621_100000211992 [1,1,0,0,0,0|1,0,1]=4 815 B8R0.3 CCCC(=O)N(C)CC 1626a_100000225621_100000211992 [1,1,0,0,0,0|1,0,1]=4 816 B8R0.3 CCCC(=O)N(C)CC 240690a_100000225621_100000211992 [1,1,0,0,0,0|1,0,1]=4 817 B8R0.3 CCCC(=O)N(C)CC 527a_100000225621_100000211992 [1,1,0,0,0,0|1,0,1]=4 818 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210414_100000766640 [1,1,0,0,0,0|0,0,1]=3 819 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210906_100000210202 [1,1,0,0,0,0|0,0,1]=3 820 B8R0.3 CCCC(C)C(=O)CF 1458a_100000210906_100015361967 [1,1,0,0,0,0|1,0,1]=4 821 B8R0.3 CCCC(C)C(=O)CO 1458a_100000210174_100000766640 [1,1,0,0,0,0|1,0,1]=4 822 B8R0.3 CCCC(C)C(=O)NC 11a_106832991635_100000210906 [1,1,0,0,0,0|1,0,1]=4 823 B8R0.3 CCCC(C)C(=O)NC 1626a_100102657272_100000210906 [1,1,0,0,0,0|1,0,1]=4 824 B8R0.3 CCCC(C)C(=O)NC 240690a_100102657272_100000210906 [1,1,0,0,0,0|1,0,1]=4 825 B8R0.3 CCCC(C)C(=O)NC 527a_100102657272_100000210906 [1,1,0,0,0,0|1,0,1]=4 826 B8R0.3 CCCN(C)C(=O)CC 11a_100000747261_100000210414 [1,1,0,0,0,0|1,0,0]=3 827 B8R0.3 CCCN(C)C(=O)CC 1626a_100000747261_100000210414 [1,1,0,0,0,0|1,0,0]=3 828 B8R0.3 CCCN(C)C(=O)CC 240690a_100000747261_100000210414 [1,1,0,0,0,0|1,0,0]=3 829 B8R0.3 CCCN(C)C(=O)CC 527a_100000747261_100000210414 [1,1,0,0,0,0|1,0,0]=3 830 B8R0.3 CCCN(C)C(=O)CO 240690a_100000747261_100000210174 [1,1,0,0,0,0|2,0,0]=4 831 B8R0.3 CCCN(C)C(=O)CO 527a_100000747261_100000210174 [1,1,0,0,0,0|2,0,0]=4 832 B8R0.3 CCCN(C)C(=O)NC 2708a_100102657272_100000747261 [1,1,0,0,0,0|2,0,0]=4 833 B8R0.3 CCCN(C)C(=O)NC 273464a_100102657272_100000747261 [1,1,0,0,0,0|2,0,0]=4 834 B8R0.3 CCC[C@H](O)C(=O)CC 1458a_100009822183_100000210202 [1,1,0,0,0,0|0,0,1]=3 835 B8R0.3 CCC[C@H](O)C(=O)CF 1458a_100009822183_100015361967 [1,1,0,0,0,0|1,0,1]=4 836 B8R0.3 CCC[C@H](O)C(=O)NC 240690a_100102657272_100009822183 [1,1,0,0,0,0|1,0,1]=4 837 B8R0.3 CCNC(=O)C(=O)CC 1458a_200011297158_100000210202 [1,1,0,0,0,0|1,0,0]=3 838 B8R0.3 CCNC(=O)C(=O)CF 1458a_200011297158_100015361967 [1,1,0,0,0,0|2,0,0]=4 839 B8R0.3 CCNC(=O)C(=O)NC 1626a_100102657272_200011297158 [1,1,0,0,0,0|2,0,0]=4 840 B8R0.3 CCNC(=O)C(=O)NC 240690a_100015525214_100011218921 [1,1,0,0,0,0|2,0,0]=4 841 B8R0.3 CCNC(=O)C(=O)NC 240690a_100102657272_200011297158 [1,1,0,0,0,0|2,0,0]=4 842 B8R0.3 CCNC(=O)C(=O)NC 527a_100015525214_100011218921 [1,1,0,0,0,0|2,0,0]=4 843 B8R0.3 CCNC(=O)C(=O)NC 527a_100102657272_200011297158 [1,1,0,0,0,0|2,0,0]=4 844 B8R0.3 CCNC(=O)C(=O)OC 11a_100015525214_100000024059 [1,1,0,0,0,0|2,0,0]=4 845 B8R0.3 CCNC(=O)C(=O)OC 240690a_100015525214_100000024059 [1,1,0,0,0,0|2,0,0]=4 846 B8R0.3 CCNC(=O)C(=O)OC 527a_100015525214_100000024059 [1,1,0,0,0,0|2,0,0]=4 847 B8R0.3 CCNC(C)C(=O)CC 2230a_100015525214_100000742827 [1,1,0,0,0,0|1,0,1]=4 848 B8R0.3 CCOC(=O)C(=O)NC 11a_106832991635_100014798877 [1,1,0,0,0,0|2,0,0]=4 849 B8R0.3 CCOC(=O)C(=O)NC 1626a_100102657272_100014798877 [1,1,0,0,0,0|2,0,0]=4 850 B8R0.3 CCOC(=O)C(=O)NC 240690a_100102657272_100014798877 [1,1,0,0,0,0|2,0,0]=4 851 B8R0.3 CCOC(C)C(=O)CC 1458a_100000739345_100000210202 [1,1,0,0,0,0|1,0,1]=4 852 B8R0.3 CCSC(C)C(=O)CC 1458a_100000230601_100000210202 [1,1,0,0,0,0|1,0,1]=4 853 B8R0.3 CCSC(C)C(=O)CC 62a_100000210202_100000742827 [1,1,0,0,0,0|1,0,1]=4 854 B8R0.3 CCSC(C)C(=O)CC 62a_100000742827_100000210202 [1,1,0,0,0,0|1,0,1]=4 855 B8R0.3 CNC(=O)C(=O)CCF 1458a_100011218921_100011217306 [1,1,0,0,0,0|2,0,0]=4 856 B8R0.3 CNC(=O)C(=O)CCO 1458a_100011218921_100000211926 [1,1,0,0,0,0|2,0,0]=4 857 B8R0.3 CNCC(=O)C(=O)OC 34a_100102657272_100011610305 [1,1,0,0,0,0|2,0,0]=4 858 B8R0.3 COC(=O)C(=O)CSC 62a_100011610305_200000210301 [1,1,0,0,0,0|2,0,0]=4 859 B8R0.3 COC(=O)C(=O)CSC 62a_200000210301_100011610305 [1,1,0,0,0,0|2,0,0]=4 860 B8R0.3 COC(=O)C(=O)CS[13CH3] 62a_100011610305_200025704644 [1,1,0,0,0,0|2,0,0]=4 861 B8R0.3 COC(=O)C(=O)CS[13CH3] 62a_200025704644_100011610305 [1,1,0,0,0,0|2,0,0]=4 862 B8R0.3 COCC(=O)C(=O)OC 34a_100138415774_100011610305 [1,1,0,0,0,0|2,0,0]=4 863 B8R0.6 C#C/C(=C\COCC)/C 34a_100016990848_100000210202 [1,1,0,0,0,0|1,0,1]=4 864 B8R0.6 C#CCCCC(=O)CC 1458a_100000210414_100000731252 [1,1,0,0,0,0|0,0,2]=4 865 B8R0.6 C#CCCCC(=O)CC 1458a_100000690238_100000210202 [1,1,0,0,0,0|0,0,2]=4 866 B8R0.6 C#CCCNC(=O)CC 11a_100000755551_100000210414 [1,1,0,0,0,0|1,0,1]=4 867 B8R0.6 C#CCCNC(=O)CC 1626a_100000755551_100000210414 [1,1,0,0,0,0|1,0,1]=4 868 B8R0.6 C#CCCNC(=O)CC 240690a_100000755551_100000210414 [1,1,0,0,0,0|1,0,1]=4 869 B8R0.6 C#CCCNC(=O)CC 527a_100000755551_100000210414 [1,1,0,0,0,0|1,0,1]=4 870 B8R0.6 C/C=C(\C)/C=NNCC 4a_100000756455_100020587592 [1,1,0,0,0,0|2,0,0]=4 871 B8R0.6 C/C=C/C=CC(=O)CC 1458a_100000185730_100000210202 [1,1,0,0,0,0|0,0,2]=4 872 B8R0.6 C=CC(=NNCCC)C 4a_100000740057_200015361842 [1,1,0,0,0,0|2,0,0]=4 873 B8R0.6 C=CCCCC(=O)CC 1458a_100000210414_100000757094 [1,1,0,0,0,0|0,0,2]=4 874 B8R0.6 C=CCCCC(=O)CC 1458a_100000766728_100000210202 [1,1,0,0,0,0|0,0,2]=4 875 B8R0.6 C=CCCNC(=O)CC 11a_100015191253_100000210414 [1,1,0,0,0,0|1,0,1]=4 876 B8R0.6 C=CCCNC(=O)CC 1626a_100015191253_100000210414 [1,1,0,0,0,0|1,0,1]=4 877 B8R0.6 C=CCCNC(=O)CC 240690a_100015191253_100000210414 [1,1,0,0,0,0|1,0,1]=4 878 B8R0.6 C=CCCNC(=O)CC 527a_100015191253_100000210414 [1,1,0,0,0,0|1,0,1]=4 879 B8R0.6 CC#CCNC(=O)CC 11a_100000685387_100000210414 [1,1,0,0,0,0|1,0,1]=4 880 B8R0.6 CC#CCNC(=O)CC 1626a_100000685387_100000210414 [1,1,0,0,0,0|1,0,1]=4 881 B8R0.6 CC#CCNC(=O)CC 527a_100000685387_100000210414 [1,1,0,0,0,0|1,0,1]=4 882 B8R0.6 CC/C=C/CC(=O)CC 1458a_100016274230_100000210202 [1,1,0,0,0,0|0,0,1]=3 883 B8R0.6 CC/C=C/CC(=O)CF 1458a_100016274230_100015361967 [1,1,0,0,0,0|1,0,1]=4 884 B8R0.6 CC/C=C/CC(=O)NC 11a_106832991635_100016274230 [1,1,0,0,0,0|1,0,1]=4 885 B8R0.6 CC/C=C/CC(=O)NC 1626a_100102657272_100016274230 [1,1,0,0,0,0|1,0,1]=4 886 B8R0.6 CC/C=C/CC(=O)NC 240690a_100102657272_100016274230 [1,1,0,0,0,0|1,0,1]=4 887 B8R0.6 CC/C=C/CC(=O)NC 527a_100102657272_100016274230 [1,1,0,0,0,0|1,0,1]=4 888 B8R0.6 CC/C=C\CC(=O)CC 1458a_100000210414_100103147603 [1,1,0,0,0,0|0,0,1]=3 889 B8R0.6 CC/C=C\CC(=O)CO 1458a_100000210174_100103147603 [1,1,0,0,0,0|1,0,1]=4 890 B8R0.6 CCC#CCC(=O)CC 1458a_100000210414_100009813939 [1,1,0,0,0,0|0,0,2]=4 891 B8R0.6 CCC(=O)C=CCOC 1458a_100016285016_100000210202 [1,1,0,0,0,0|0,0,1]=3 892 B8R0.6 CCC(=O)CCCC#N 1458a_100000075515_100000210202 [1,1,0,0,0,0|0,0,2]=4 893 B8R0.6 CCC(=O)CCCC#N 1458a_100000210414_100000211468 [1,1,0,0,0,0|0,0,2]=4 894 B8R0.6 CCC(=O)CCCCF 1458a_100000210414_100000729493 [1,1,0,0,0,0|0,0,1]=3 895 B8R0.6 CCC(=O)CCCCO 1458a_100000210414_100000210776 [1,1,0,0,0,0|0,0,1]=3 896 B8R0.6 CCC(=O)CCCCO 1458a_100000695505_100000210202 [1,1,0,0,0,0|0,0,1]=3 897 B8R0.6 CCC(=O)CCCOC 1458a_100000210414_100000740836 [1,1,0,0,0,0|0,0,1]=3 898 B8R0.6 CCC(=O)CCCOC 1458a_100000741012_100000210202 [1,1,0,0,0,0|0,0,1]=3 899 B8R0.6 CCC(=O)CCCSC 1458a_100000173376_100000210202 [1,1,0,0,0,0|0,0,1]=3 900 B8R0.6 CCC(=O)COCCF 34a_100000725409_100011217306 [1,1,0,0,0,0|1,0,1]=4 901 B8R0.6 CCC(=O)COCCO 1458a_100000708028_100000210202 [1,1,0,0,0,0|1,0,1]=4 902 B8R0.6 CCC(=O)COCCO 34a_100000725409_100000211926 [1,1,0,0,0,0|1,0,1]=4 903 B8R0.6 CCC(=O)COCSC 34a_100000725409_100011218213 [1,1,0,0,0,0|1,0,1]=4 904 B8R0.6 CCC(=O)CSCCF 62a_100000747405_100011217306 [1,1,0,0,0,0|1,0,1]=4 905 B8R0.6 CCC(=O)CSCCF 62a_100011217306_100000747405 [1,1,0,0,0,0|1,0,1]=4 906 B8R0.6 CCC(=O)CSCCO 62a_100000211926_100000747405 [1,1,0,0,0,0|1,0,1]=4 907 B8R0.6 CCC(=O)CSCCO 62a_100000747405_100000211926 [1,1,0,0,0,0|1,0,1]=4 908 B8R0.6 CCC(=O)CSCOC 62a_100000747405_100000766300 [1,1,0,0,0,0|1,0,1]=4 909 B8R0.6 CCC(=O)CSCOC 62a_100000766300_100000747405 [1,1,0,0,0,0|1,0,1]=4 910 B8R0.6 CCC(=O)CSCSC 62a_100000747405_100011218213 [1,1,0,0,0,0|1,0,1]=4 911 B8R0.6 CCC(=O)CSCSC 62a_100011218213_100000747405 [1,1,0,0,0,0|1,0,1]=4 912 B8R0.6 CCC(=O)NCCC#N 11a_100000720768_100000210414 [1,1,0,0,0,0|1,0,1]=4 913 B8R0.6 CCC(=O)NCCC#N 1626a_100000720768_100000210414 [1,1,0,0,0,0|1,0,1]=4 914 B8R0.6 CCC(=O)NCCC#N 240690a_100000720768_100000210414 [1,1,0,0,0,0|1,0,1]=4 915 B8R0.6 CCC(=O)NCCC#N 527a_100000720768_100000210414 [1,1,0,0,0,0|1,0,1]=4 916 B8R0.6 CCC(=O)NCCCF 11a_100015189416_100000210414 [1,1,0,0,0,0|1,0,0]=3 917 B8R0.6 CCC(=O)NCCCF 1626a_100015189416_100000210414 [1,1,0,0,0,0|1,0,0]=3 918 B8R0.6 CCC(=O)NCCCF 240690a_100015189416_100000210414 [1,1,0,0,0,0|1,0,0]=3 919 B8R0.6 CCC(=O)NCCCF 527a_100015189416_100000210414 [1,1,0,0,0,0|1,0,0]=3 920 B8R0.6 CCC(=O)NCCCO 240690a_100000182051_100000210414 [1,1,0,0,0,0|1,0,0]=3 921 B8R0.6 CCC(=O)NCCCO 527a_100000182051_100000210414 [1,1,0,0,0,0|1,0,0]=3 922 B8R0.6 CCC(=O)NCCNC 34a_100132302217_200000210301 [1,1,0,0,0,0|1,0,0]=3 923 B8R0.6 CCC(=O)NCCN[13CH3] 34a_100132302217_200025704644 [1,1,0,0,0,0|1,0,0]=3 924 B8R0.6 CCC(=O)NCCOC 1626a_100000209980_100000210414 [1,1,0,0,0,0|1,0,0]=3 925 B8R0.6 CCC(=O)NCCOC 240690a_100000209980_100000210414 [1,1,0,0,0,0|1,0,0]=3 926 B8R0.6 CCC(=O)NCCOC 34a_200000158885_200000210301 [1,1,0,0,0,0|1,0,0]=3 927 B8R0.6 CCC(=O)NCCOC 527a_100000209980_100000210414 [1,1,0,0,0,0|1,0,0]=3 928 B8R0.6 CCC(=O)NCCOC 7a_200000158885_200000210301 [1,1,0,0,0,0|1,0,0]=3 929 B8R0.6 CCC(=O)NCCO[13CH3] 34a_200000158885_200025704644 [1,1,0,0,0,0|1,0,0]=3 930 B8R0.6 CCC(=O)NCCO[13CH3] 7a_200000158885_200025704644 [1,1,0,0,0,0|1,0,0]=3 931 B8R0.6 CCC(=O)NCCSC 11a_100020590264_100000210414 [1,1,0,0,0,0|1,0,0]=3 932 B8R0.6 CCC(=O)NCCSC 1626a_100020590264_100000210414 [1,1,0,0,0,0|1,0,0]=3 933 B8R0.6 CCC(=O)NCCSC 240690a_100020590264_100000210414 [1,1,0,0,0,0|1,0,0]=3 934 B8R0.6 CCC(=O)NCCSC 527a_100020590264_100000210414 [1,1,0,0,0,0|1,0,0]=3 935 B8R0.6 CCC(=O)NNCCO 22a_100000210001_100000210414 [1,1,0,0,0,0|2,0,0]=4 936 B8R0.6 CCC(=O)OCCOC 7a_200000031056_200000210301 [1,1,0,0,0,0|1,0,0]=3 937 B8R0.6 CCC(=O)OCCO[13CH3] 7a_200000031056_200025704644 [1,1,0,0,0,0|1,0,0]=3 938 B8R0.6 CCC=NNC(=O)CC 4a_100000183195_100000210100 [1,1,0,0,0,0|1,0,1]=4 939 B8R0.6 CCCC#CC(=O)CC 1458a_200011218047_100000210202 [1,1,0,0,0,0|0,0,1]=3 940 B8R0.6 CCCC#CC(=O)CF 1458a_200011218047_100015361967 [1,1,0,0,0,0|1,0,1]=4 941 B8R0.6 CCCC#CC(=O)NC 240690a_100102657272_200011218047 [1,1,0,0,0,0|1,0,1]=4 942 B8R0.6 CCCC=CC(=O)CC 1458a_100000212230_100000210202 [1,1,0,0,0,0|0,0,0]=2 943 B8R0.6 CCCC=CC(=O)CF 1458a_100000212230_100015361967 [1,1,0,0,0,0|1,0,0]=3 944 B8R0.6 CCCC=CC(=O)NC 11a_106832991635_100000212230 [1,1,0,0,0,0|1,0,0]=3 945 B8R0.6 CCCC=CC(=O)NC 1626a_100102657272_100000212230 [1,1,0,0,0,0|1,0,0]=3 946 B8R0.6 CCCC=CC(=O)NC 240690a_100102657272_100000212230 [1,1,0,0,0,0|1,0,0]=3 947 B8R0.6 CCCCCC(=O)CC 1458a_100000210414_100000210326 [1,1,0,0,0,0|0,0,1]=3 948 B8R0.6 CCCCCC(=O)CC 1458a_100000212188_100000210202 [1,1,0,0,0,0|0,0,1]=3 949 B8R0.6 CCCCCC(=O)CF 1458a_100000212188_100015361967 [1,1,0,0,0,0|1,0,1]=4 950 B8R0.6 CCCCCC(=O)CO 1458a_100000210174_100000210326 [1,1,0,0,0,0|1,0,1]=4 951 B8R0.6 CCCCCC(=O)NC 11a_106832991635_100000212188 [1,1,0,0,0,0|1,0,1]=4 952 B8R0.6 CCCCCC(=O)NC 1626a_100102657272_100000212188 [1,1,0,0,0,0|1,0,1]=4 953 B8R0.6 CCCCCC(=O)NC 240690a_100102657272_100000212188 [1,1,0,0,0,0|1,0,1]=4 954 B8R0.6 CCCCCC(=O)NC 527a_100102657272_100000212188 [1,1,0,0,0,0|1,0,1]=4 955 B8R0.6 CCCCNC(=O)CC 11a_100000102301_100000210414 [1,1,0,0,0,0|0,0,1]=3 956 B8R0.6 CCCCNC(=O)CC 1626a_100000102301_100000210414 [1,1,0,0,0,0|0,0,1]=3 957 B8R0.6 CCCCNC(=O)CC 240690a_100000102301_100000210414 [1,1,0,0,0,0|0,0,1]=3 958 B8R0.6 CCCCNC(=O)CC 527a_100000102301_100000210414 [1,1,0,0,0,0|0,0,1]=3 959 B8R0.6 CCCCNC(=O)CO 240690a_100000102301_100000210174 [1,1,0,0,0,0|1,0,1]=4 960 B8R0.6 CCCCNC(=O)CO 527a_100000102301_100000210174 [1,1,0,0,0,0|1,0,1]=4 961 B8R0.6 CCCCNC(=O)NC 2708a_100000102301_106832991635 [1,1,0,0,0,0|1,0,1]=4 962 B8R0.6 CCCCNC(=O)NC 2708a_100102657272_100000102301 [1,1,0,0,0,0|1,0,1]=4 963 B8R0.6 CCCCNC(=O)NC 273464a_100000102301_100102657272 [1,1,0,0,0,0|1,0,1]=4 964 B8R0.6 CCCCNC(=O)NC 273464a_100102657272_100000102301 [1,1,0,0,0,0|1,0,1]=4 965 B8R0.6 CCCCNC(=O)NC 512a_100000102301_100102657272 [1,1,0,0,0,0|1,0,1]=4 966 B8R0.6 CCCCNC(=O)NC 512a_106832991638_100000102301 [1,1,0,0,0,0|1,0,1]=4 967 B8R0.6 CCCNCC(=O)NC 2230a_100000693194_100000210303 [1,1,0,0,0,0|1,0,1]=4 968 B8R0.6 CCCNNC(=O)CC 22a_100000740057_100000210414 [1,1,0,0,0,0|1,0,0]=3 969 B8R0.6 CCCNNC(=O)CO 22a_100000740057_100000210174 [1,1,0,0,0,0|2,0,0]=4 970 B8R0.6 CCCNNC(=O)NC 273464a_100102657272_100000740057 [1,1,0,0,0,0|2,0,0]=4 971 B8R0.6 CCCNNC(=O)NC 512a_100000740057_100102657272 [1,1,0,0,0,0|2,0,0]=4 972 B8R0.6 CCCNNC(=O)NC 512a_106832991638_100000740057 [1,1,0,0,0,0|2,0,0]=4 973 B8R0.6 CCCOCC(=O)CC 1458a_100000745993_100000210202 [1,1,0,0,0,0|0,0,1]=3 974 B8R0.6 CCCOCC(=O)CC 34a_100000725409_100000210303 [1,1,0,0,0,0|0,0,1]=3 975 B8R0.6 CCCOCC(=O)CF 1458a_100000745993_100015361967 [1,1,0,0,0,0|1,0,1]=4 976 B8R0.6 CCCOCC(=O)NC 11a_106832991635_100000745993 [1,1,0,0,0,0|1,0,1]=4 977 B8R0.6 CCCOCC(=O)NC 1626a_100102657272_100000745993 [1,1,0,0,0,0|1,0,1]=4 978 B8R0.6 CCCOCC(=O)NC 240690a_100102657272_100000745993 [1,1,0,0,0,0|1,0,1]=4 979 B8R0.6 CCCOCC(=O)NC 34a_100000210258_100000183359 [1,1,0,0,0,0|1,0,1]=4 980 B8R0.6 CCCOCC(=O)NC 34a_100000750040_100000210303 [1,1,0,0,0,0|1,0,1]=4 981 B8R0.6 CCCOCC(=O)NC 527a_100102657272_100000745993 [1,1,0,0,0,0|1,0,1]=4 982 B8R0.6 CCCOCC(=O)OC 34a_100000210258_100000747449 [1,1,0,0,0,0|1,0,1]=4 983 B8R0.6 CCCSCC(=O)CC 1458a_100000217233_100000210202 [1,1,0,0,0,0|0,0,1]=3 984 B8R0.6 CCCSCC(=O)CC 62a_100000210303_100000747405 [1,1,0,0,0,0|0,0,1]=3 985 B8R0.6 CCCSCC(=O)CC 62a_100000747405_100000210303 [1,1,0,0,0,0|0,0,1]=3 986 B8R0.6 CCCSCC(=O)CF 1458a_100000217233_100015361967 [1,1,0,0,0,0|1,0,1]=4 987 B8R0.6 CCCSCC(=O)NC 11a_106832991635_100000217233 [1,1,0,0,0,0|1,0,1]=4 988 B8R0.6 CCCSCC(=O)NC 1626a_100102657272_100000217233 [1,1,0,0,0,0|1,0,1]=4 989 B8R0.6 CCCSCC(=O)NC 240690a_100102657272_100000217233 [1,1,0,0,0,0|1,0,1]=4 990 B8R0.6 CCCSCC(=O)NC 527a_100102657272_100000217233 [1,1,0,0,0,0|1,0,1]=4 991 B8R0.6 CCCSCC(=O)NC 62a_100000183359_100000210303 [1,1,0,0,0,0|1,0,1]=4 992 B8R0.6 CCCSCC(=O)NC 62a_100000210303_100000183359 [1,1,0,0,0,0|1,0,1]=4 993 B8R0.6 CCCSCC(=O)OC 62a_100000210303_100000747449 [1,1,0,0,0,0|1,0,1]=4 994 B8R0.6 CCCSCC(=O)OC 62a_100000747449_100000210303 [1,1,0,0,0,0|1,0,1]=4 995 B8R0.6 CCNCCC(=O)NC 2230a_100000738227_100000210202 [1,1,0,0,0,0|1,0,1]=4 996 B8R0.6 CCNCCC(=O)NC 2230a_100015525214_100000737683 [1,1,0,0,0,0|1,0,1]=4 997 B8R0.6 CCNCCC(=O)NC 34a_100000738227_100000210202 [1,1,0,0,0,0|1,0,1]=4 998 B8R0.6 CCNCCC(=O)OC 2230a_100015525214_100000204255 [1,1,0,0,0,0|1,0,1]=4 999 B8R0.6 CCNN=C/C(=C\N)/C 4a_100000756455_100050415766 [1,1,0,0,0,0|2,0,0]=4 1000 B8R0.6 CCNN=CC(=O)OC 4a_100000756455_200011823558 [1,1,0,0,0,0|2,0,0]=4 1001 B8R0.6 CCOC=CC(=O)CC 1458a_100016266692_100000210202 [1,1,0,0,0,0|0,0,1]=3 1002 B8R0.6 CCOC=CC(=O)CF 1458a_100016266692_100015361967 [1,1,0,0,0,0|1,0,1]=4 1003 B8R0.6 CCOC=CC(=O)NC 11a_106832991635_100016266692 [1,1,0,0,0,0|1,0,1]=4 1004 B8R0.6 CCOC=CC(=O)NC 1626a_100102657272_100016266692 [1,1,0,0,0,0|1,0,1]=4 1005 B8R0.6 CCOC=CC(=O)NC 240690a_100102657272_100016266692 [1,1,0,0,0,0|1,0,1]=4 1006 B8R0.6 CCOCCC(=O)CC 1458a_100000210414_100011215890 [1,1,0,0,0,0|0,0,1]=3 1007 B8R0.6 CCOCCC(=O)CC 1458a_100000749530_100000210202 [1,1,0,0,0,0|0,0,1]=3 1008 B8R0.6 CCOCCC(=O)CF 1458a_100000749530_100015361967 [1,1,0,0,0,0|1,0,1]=4 1009 B8R0.6 CCOCCC(=O)CO 1458a_100000210174_100011215890 [1,1,0,0,0,0|1,0,1]=4 1010 B8R0.6 CCOCCC(=O)NC 11a_106832991635_100000749530 [1,1,0,0,0,0|1,0,1]=4 1011 B8R0.6 CCOCCC(=O)NC 1626a_100102657272_100000749530 [1,1,0,0,0,0|1,0,1]=4 1012 B8R0.6 CCOCCC(=O)NC 240690a_100102657272_100000749530 [1,1,0,0,0,0|1,0,1]=4 1013 B8R0.6 CCOCCC(=O)NC 34a_100000754576_100000210202 [1,1,0,0,0,0|1,0,1]=4 1014 B8R0.6 CCOCCC(=O)NC 34a_100121572206_100012179268 [1,1,0,0,0,0|1,0,1]=4 1015 B8R0.6 CCOCCC(=O)NC 527a_100102657272_100000749530 [1,1,0,0,0,0|1,0,1]=4 1016 B8R0.6 CCOCCC(=O)OC 34a_100121572206_100000742370 [1,1,0,0,0,0|1,0,1]=4 1017 B8R0.6 CCSCCC(=O)CC 1458a_100000210414_100000757381 [1,1,0,0,0,0|0,0,1]=3 1018 B8R0.6 CCSCCC(=O)CC 1458a_100000230768_100000210202 [1,1,0,0,0,0|0,0,1]=3 1019 B8R0.6 CCSCCC(=O)CF 1458a_100000230768_100015361967 [1,1,0,0,0,0|1,0,1]=4 1020 B8R0.6 CCSCCC(=O)CO 1458a_100000210174_100000757381 [1,1,0,0,0,0|1,0,1]=4 1021 B8R0.6 CCSCCC(=O)NC 11a_106832991635_100000230768 [1,1,0,0,0,0|1,0,1]=4 1022 B8R0.6 CCSCCC(=O)NC 1626a_100102657272_100000230768 [1,1,0,0,0,0|1,0,1]=4 1023 B8R0.6 CCSCCC(=O)NC 240690a_100102657272_100000230768 [1,1,0,0,0,0|1,0,1]=4 1024 B8R0.6 CCSCCC(=O)NC 527a_100102657272_100000230768 [1,1,0,0,0,0|1,0,1]=4 1025 B8R0.6 CCSCCC(=O)NC 62a_100000210202_100000737683 [1,1,0,0,0,0|1,0,1]=4 1026 B8R0.6 CCSCCC(=O)NC 62a_100000737683_100000210202 [1,1,0,0,0,0|1,0,1]=4 1027 B8R0.6 CCSCCC(=O)OC 62a_100000204255_100000210202 [1,1,0,0,0,0|1,0,1]=4 1028 B8R0.6 CCSCCC(=O)OC 62a_100000210202_100000204255 [1,1,0,0,0,0|1,0,1]=4 1029 B8R0.6 CCSCOC(=O)OC 62a_100000210202_100000139417 [1,1,0,0,0,0|2,0,0]=4 1030 B8R0.6 CNC(=O)C=CCOC 11a_106832991635_100016285016 [1,1,0,0,0,0|1,0,1]=4 1031 B8R0.6 CNC(=O)C=CCOC 1626a_100102657272_100016285016 [1,1,0,0,0,0|1,0,1]=4 1032 B8R0.6 CNC(=O)C=CCOC 240690a_100102657272_100016285016 [1,1,0,0,0,0|1,0,1]=4 1033 B8R0.6 CNC(=O)CCCCO 1626a_100102657272_100000695505 [1,1,0,0,0,0|1,0,1]=4 1034 B8R0.6 CNC(=O)CCCN[13CH3] 2230a_100000740002_200025704644 [1,1,0,0,0,0|1,0,1]=4 1035 B8R0.6 CNC(=O)CCCN[13CH3] 34a_100000740002_200025704644 [1,1,0,0,0,0|1,0,1]=4 1036 B8R0.6 CNC(=O)CCCOC 11a_106832991635_100000741012 [1,1,0,0,0,0|1,0,1]=4 1037 B8R0.6 CNC(=O)CCCOC 1626a_100102657272_100000741012 [1,1,0,0,0,0|1,0,1]=4 1038 B8R0.6 CNC(=O)CCCOC 240690a_100102657272_100000741012 [1,1,0,0,0,0|1,0,1]=4 1039 B8R0.6 CNC(=O)CCCOC 34a_100138415774_100000741757 [1,1,0,0,0,0|1,0,1]=4 1040 B8R0.6 CNC(=O)CCCOC 527a_100102657272_100000741012 [1,1,0,0,0,0|1,0,1]=4 1041 B8R0.6 CNC(=O)CCCSC 11a_106832991635_100000173376 [1,1,0,0,0,0|1,0,1]=4 1042 B8R0.6 CNC(=O)CCCSC 1626a_100102657272_100000173376 [1,1,0,0,0,0|1,0,1]=4 1043 B8R0.6 CNC(=O)CCCSC 240690a_100102657272_100000173376 [1,1,0,0,0,0|1,0,1]=4 1044 B8R0.6 CNC(=O)CCCSC 527a_100102657272_100000173376 [1,1,0,0,0,0|1,0,1]=4 1045 B8R0.6 CNC(=O)CCCSC 62a_100000741757_200000210301 [1,1,0,0,0,0|1,0,1]=4 1046 B8R0.6 CNC(=O)CCCSC 62a_200000210301_100000741757 [1,1,0,0,0,0|1,0,1]=4 1047 B8R0.6 CNC(=O)CCCS[13CH3] 62a_100000741757_200025704644 [1,1,0,0,0,0|1,0,1]=4 1048 B8R0.6 CNC(=O)CCCS[13CH3] 62a_200025704644_100000741757 [1,1,0,0,0,0|1,0,1]=4 1049 B8R0.6 CNC(=O)NCCCF 2708a_100015189416_106832991635 [1,1,0,0,0,0|2,0,0]=4 1050 B8R0.6 CNC(=O)NCCCF 2708a_100102657272_100015189416 [1,1,0,0,0,0|2,0,0]=4 1051 B8R0.6 CNC(=O)NCCCF 273464a_100015189416_100102657272 [1,1,0,0,0,0|2,0,0]=4 1052 B8R0.6 CNC(=O)NCCCF 273464a_100102657272_100015189416 [1,1,0,0,0,0|2,0,0]=4 1053 B8R0.6 CNC(=O)NCCCF 512a_100015189416_100102657272 [1,1,0,0,0,0|2,0,0]=4 1054 B8R0.6 CNC(=O)NCCCF 512a_106832991638_100015189416 [1,1,0,0,0,0|2,0,0]=4 1055 B8R0.6 CNC(=O)NCCCO 2708a_100102657272_100000182051 [1,1,0,0,0,0|2,0,0]=4 1056 B8R0.6 CNC(=O)NCCCO 273464a_100000182051_100102657272 [1,1,0,0,0,0|2,0,0]=4 1057 B8R0.6 CNC(=O)NCCCO 273464a_100102657272_100000182051 [1,1,0,0,0,0|2,0,0]=4 1058 B8R0.6 CNC(=O)NCCCO 512a_106832991638_100000182051 [1,1,0,0,0,0|2,0,0]=4 1059 B8R0.6 CNC(=O)NCCN[13CH3] 34a_100015205895_200025704644 [1,1,0,0,0,0|2,0,0]=4 1060 B8R0.6 CNC(=O)NCCOC 2708a_100102657272_100000209980 [1,1,0,0,0,0|2,0,0]=4 1061 B8R0.6 CNC(=O)NCCOC 273464a_100000209980_100102657272 [1,1,0,0,0,0|2,0,0]=4 1062 B8R0.6 CNC(=O)NCCOC 273464a_100102657272_100000209980 [1,1,0,0,0,0|2,0,0]=4 1063 B8R0.6 CNC(=O)NCCSC 2708a_100020590264_106832991635 [1,1,0,0,0,0|2,0,0]=4 1064 B8R0.6 CNC(=O)NCCSC 2708a_100102657272_100020590264 [1,1,0,0,0,0|2,0,0]=4 1065 B8R0.6 CNC(=O)NCCSC 273464a_100020590264_100102657272 [1,1,0,0,0,0|2,0,0]=4 1066 B8R0.6 CNC(=O)NCCSC 273464a_100102657272_100020590264 [1,1,0,0,0,0|2,0,0]=4 1067 B8R0.6 CNC(=O)NCCSC 512a_100020590264_100102657272 [1,1,0,0,0,0|2,0,0]=4 1068 B8R0.6 CNC(=O)NCCSC 512a_106832991638_100020590264 [1,1,0,0,0,0|2,0,0]=4 1069 B8R0.6 CNC(=O)OCCOC 34a_100138415774_200011997002 [1,1,0,0,0,0|2,0,0]=4 1070 B8R0.6 CNC(=O)OCCSC 62a_200000210301_200011997002 [1,1,0,0,0,0|2,0,0]=4 1071 B8R0.6 CNC(=O)OCCSC 62a_200011997002_200000210301 [1,1,0,0,0,0|2,0,0]=4 1072 B8R0.6 CNC(=O)OCCS[13CH3] 62a_200011997002_200025704644 [1,1,0,0,0,0|2,0,0]=4 1073 B8R0.6 CNC(=O)OCCS[13CH3] 62a_200025704644_200011997002 [1,1,0,0,0,0|2,0,0]=4 1074 B8R0.6 CNC/C=C/C(=O)OC 2230a_106832991635_100000742655 [1,1,0,0,0,0|1,0,1]=4 1075 B8R0.6 CNC/C=C/C(=O)OC 34a_100102657272_100000742655 [1,1,0,0,0,0|1,0,1]=4 1076 B8R0.6 CNC/C=C/C(=O)OC 7a_106832991635_100000742655 [1,1,0,0,0,0|1,0,1]=4 1077 B8R0.6 CNCCCC(=O)NC 2230a_100000740002_200000210301 [1,1,0,0,0,0|1,0,1]=4 1078 B8R0.6 CNCCCC(=O)NC 2230a_106832991635_100000741757 [1,1,0,0,0,0|1,0,1]=4 1079 B8R0.6 CNCCCC(=O)NC 34a_100000740002_200000210301 [1,1,0,0,0,0|1,0,1]=4 1080 B8R0.6 CNCCCC(=O)NC 34a_100102657272_100000741757 [1,1,0,0,0,0|1,0,1]=4 1081 B8R0.6 CNCCCC(=O)NC 7a_106832991635_100000741757 [1,1,0,0,0,0|1,0,1]=4 1082 B8R0.6 CNCCCC(=O)OC 2230a_106832991635_100011218270 [1,1,0,0,0,0|1,0,1]=4 1083 B8R0.6 CNCCCC(=O)OC 34a_100102657272_100000742333 [1,1,0,0,0,0|1,0,1]=4 1084 B8R0.6 CNCCCC(=O)OC 7a_106832991635_100011218270 [1,1,0,0,0,0|1,0,1]=4 1085 B8R0.6 CNCCNC(=O)NC 34a_100015205895_200000210301 [1,1,0,0,0,0|2,0,0]=4 1086 B8R0.6 CNCCOC(=O)NC 34a_100102657272_200011997002 [1,1,0,0,0,0|2,0,0]=4 1087 B8R0.6 CNCCOC(=O)NC 7a_106832991635_200011997002 [1,1,0,0,0,0|2,0,0]=4 1088 B8R0.6 COC(=O)/C=C/CSC 62a_100000742655_200000210301 [1,1,0,0,0,0|1,0,1]=4 1089 B8R0.6 COC(=O)/C=C/CSC 62a_200000210301_100000742655 [1,1,0,0,0,0|1,0,1]=4 1090 B8R0.6 COC(=O)/C=C/CS[13CH3] 62a_100000742655_200025704644 [1,1,0,0,0,0|1,0,1]=4 1091 B8R0.6 COC(=O)/C=C/CS[13CH3] 62a_200025704644_100000742655 [1,1,0,0,0,0|1,0,1]=4 1092 B8R0.6 COC(=O)CCCSC 62a_100011218270_200000210301 [1,1,0,0,0,0|1,0,1]=4 1093 B8R0.6 COC(=O)CCCSC 62a_200000210301_100011218270 [1,1,0,0,0,0|1,0,1]=4 1094 B8R0.6 COC(=O)CCCS[13CH3] 62a_100011218270_200025704644 [1,1,0,0,0,0|1,0,1]=4 1095 B8R0.6 COC(=O)CCCS[13CH3] 62a_200025704644_100011218270 [1,1,0,0,0,0|1,0,1]=4 1096 B8R0.6 COC(=O)NCCO[13CH3] 34a_100000757965_200025704644 [1,1,0,0,0,0|2,0,0]=4 1097 B8R0.6 COC(=O)OCCO[13CH3] 34a_100010262106_200025704644 [1,1,0,0,0,0|2,0,0]=4 1098 B8R0.6 COC/C=C/C(=O)OC 34a_100138415774_100000742655 [1,1,0,0,0,0|1,0,1]=4 1099 B8R0.6 COCC=CC(=O)CF 1458a_100016285016_100015361967 [1,1,0,0,0,0|1,0,1]=4 1100 B8R0.6 COCCCC(=O)CF 1458a_100000741012_100015361967 [1,1,0,0,0,0|1,0,1]=4 1101 B8R0.6 COCCCC(=O)CO 1458a_100000210174_100000740836 [1,1,0,0,0,0|1,0,1]=4 1102 B8R0.6 COCCCC(=O)OC 34a_100138415774_100000742333 [1,1,0,0,0,0|1,0,1]=4 1103 B8R0.6 COCCNC(=O)CO 240690a_100000209980_100000210174 [1,1,0,0,0,0|2,0,0]=4 1104 B8R0.6 COCCNC(=O)CO 527a_100000209980_100000210174 [1,1,0,0,0,0|2,0,0]=4 1105 B8R0.6 COCCNC(=O)OC 34a_100000757965_200000210301 [1,1,0,0,0,0|2,0,0]=4 1106 B8R0.6 COCCOC(=O)OC 34a_100010262106_200000210301 [1,1,0,0,0,0|2,0,0]=4 1107 B8R0.6 CSCCCC(=O)CF 1458a_100000173376_100015361967 [1,1,0,0,0,0|1,0,1]=4 1108 B8R0.6 CSCCNC(=O)CO 240690a_100020590264_100000210174 [1,1,0,0,0,0|2,0,0]=4 1109 B8R0.6 CSCCNC(=O)CO 527a_100020590264_100000210174 [1,1,0,0,0,0|2,0,0]=4 1110 B8R0.6 O=C(CF)CCCCO 1458a_100000695505_100015361967 [1,1,0,0,0,0|1,0,1]=4 1111 B8R0.6 O=C(CO)CCCCF 1458a_100000210174_100000729493 [1,1,0,0,0,0|1,0,1]=4 1112 B8R0.6 O=C(CO)CCCCO 1458a_100000210174_100000210776 [1,1,0,0,0,0|1,0,1]=4 1113 B8R0.6 O=C(CO)NCCCF 240690a_100015189416_100000210174 [1,1,0,0,0,0|2,0,0]=4 1114 B8R0.6 O=C(CO)NCCCF 527a_100015189416_100000210174 [1,1,0,0,0,0|2,0,0]=4 1115 B8R0.6 O=C(CO)NCCCO 240690a_100000182051_100000210174 [1,1,0,0,0,0|2,0,0]=4 1116 B8R0.6 O=C(CO)NCCCO 527a_100000182051_100000210174 [1,1,0,0,0,0|2,0,0]=4 1117 B8R0.8 C=C(C)C(=O)CCCC 1458a_100000185857_100000210211 [1,1,0,0,0,0|0,0,2]=4 1118 B8R0.8 C=C(C)C(=O)NCCC 11a_100020643023_100000185857 [1,1,0,0,0,0|1,0,1]=4 1119 B8R0.8 C=C(C)C(=O)NCCC 1626a_100020643023_100000185857 [1,1,0,0,0,0|1,0,1]=4 1120 B8R0.8 CC(C)C(=O)CCCF 1458a_100000210198_100011934791 [1,1,0,0,0,0|1,0,1]=4 1121 B8R0.8 CC(C)C(=O)CCCO 1458a_100000210198_100011215043 [1,1,0,0,0,0|1,0,1]=4 1122 B8R0.8 CC(C)C(=O)NCCF 11a_100000724931_100000210198 [1,1,0,0,0,0|2,0,0]=4 1123 B8R0.8 CC(C)C(=O)NCCF 1626a_100000724931_100000210198 [1,1,0,0,0,0|2,0,0]=4 1124 B8R0.8 CC(C)C(=O)NCCF 240690a_100000724931_100000210198 [1,1,0,0,0,0|2,0,0]=4 1125 B8R0.8 CC(C)C(=O)NCCF 527a_100000724931_100000210198 [1,1,0,0,0,0|2,0,0]=4 1126 B8R0.8 CC(C)C(=O)NCCO 240690a_100000210304_100000210198 [1,1,0,0,0,0|2,0,0]=4 1127 B8R0.8 CC(C)C(=O)NCCO 527a_100000210304_100000210198 [1,1,0,0,0,0|2,0,0]=4 1128 B8R0.8 CC(C)C(=O)OCS[13CH3] 62a_100000139345_200025704644 [1,1,0,0,0,0|2,0,0]=4 1129 B8R0.8 CC(C)C(=O)OCS[13CH3] 62a_200025704644_100000139345 [1,1,0,0,0,0|2,0,0]=4 1130 B8R0.8 CC(F)C(=O)CCCF 1458a_100000062450_100011934791 [1,1,0,0,0,0|1,0,1]=4 1131 B8R0.8 CC(F)C(=O)CCCO 1458a_100000062450_100011215043 [1,1,0,0,0,0|1,0,1]=4 1132 B8R0.8 CC(F)C(=O)NCCF 11a_100000724931_100000062450 [1,1,0,0,0,0|2,0,0]=4 1133 B8R0.8 CC(F)C(=O)NCCF 1626a_100000724931_100000062450 [1,1,0,0,0,0|2,0,0]=4 1134 B8R0.8 CC(F)C(=O)NCCF 240690a_100000724931_100000062450 [1,1,0,0,0,0|2,0,0]=4 1135 B8R0.8 CC(F)C(=O)NCCF 527a_100000724931_100000062450 [1,1,0,0,0,0|2,0,0]=4 1136 B8R0.8 CC(F)C(=O)NCCO 240690a_100000210304_100000062450 [1,1,0,0,0,0|2,0,0]=4 1137 B8R0.8 CC(F)C(=O)NCCO 527a_100000210304_100000062450 [1,1,0,0,0,0|2,0,0]=4 1138 B8R0.8 CCC#CC(=O)C(C)C 1458a_100011827653_100000210206 [1,1,0,0,0,0|0,0,2]=4 1139 B8R0.8 CCC/C=C(\C)/C(=O)C 1458a_200020648666_200000210301 [1,1,0,0,0,0|0,0,0]=2 1140 B8R0.8 CCC/C=C(\C)/C(=O)[13CH3] 1458a_200020648666_200025704644 [1,1,0,0,0,0|0,0,0]=2 1141 B8R0.8 CCC=CC(=O)C(C)C 1458a_100000212282_100000210206 [1,1,0,0,0,0|0,0,1]=3 1142 B8R0.8 CCC=CC(=O)N(C)C 11a_100102631434_100000212282 [1,1,0,0,0,0|1,0,1]=4 1143 B8R0.8 CCC=CC(=O)N(C)C 1626a_100102631434_100000212282 [1,1,0,0,0,0|1,0,1]=4 1144 B8R0.8 CCC=CC(=O)N(C)C 240690a_100102631434_100000212282 [1,1,0,0,0,0|1,0,1]=4 1145 B8R0.8 CCCCC(=O)C(C)C 1458a_100000210183_100000210206 [1,1,0,0,0,0|0,0,1]=3 1146 B8R0.8 CCCCC(=O)C(C)C 1458a_100000210198_100000210211 [1,1,0,0,0,0|0,0,1]=3 1147 B8R0.8 CCCCC(=O)C(C)F 1458a_100000062450_100000210211 [1,1,0,0,0,0|0,0,1]=3 1148 B8R0.8 CCCCC(=O)C(O)O 1458a_100000233687_100000210211 [1,1,0,0,0,0|1,0,1]=4 1149 B8R0.8 CCCCC(=O)N(C)C 11a_100102631434_100000210183 [1,1,0,0,0,0|1,0,1]=4 1150 B8R0.8 CCCCC(=O)N(C)C 1626a_100102631434_100000210183 [1,1,0,0,0,0|1,0,1]=4 1151 B8R0.8 CCCCC(=O)N(C)C 240690a_100102631434_100000210183 [1,1,0,0,0,0|1,0,1]=4 1152 B8R0.8 CCCCC(=O)N(C)C 527a_100102631434_100000210183 [1,1,0,0,0,0|1,0,1]=4 1153 B8R0.8 CCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210211 [1,1,0,0,0,0|0,0,1]=3 1154 B8R0.8 CCCCC(=O)[C@H](C)O 1458a_217856618621_100000210211 [1,1,0,0,0,0|0,0,1]=3 1155 B8R0.8 CCCCC(C)C(=O)C 1458a_100000070787_200011215066 [1,1,0,0,0,0|0,0,2]=4 1156 B8R0.8 CCCCC(C)C(=O)C 1458a_100000725509_200000210301 [1,1,0,0,0,0|0,0,2]=4 1157 B8R0.8 CCCCC(C)C(=O)[13CH3] 1458a_100000725509_200025704644 [1,1,0,0,0,0|0,0,2]=4 1158 B8R0.8 CCCCN(C)C(=O)C 11a_100000207549_100015343762 [1,1,0,0,0,0|1,0,1]=4 1159 B8R0.8 CCCCN(C)C(=O)C 1626a_100000207549_100015343762 [1,1,0,0,0,0|1,0,1]=4 1160 B8R0.8 CCCCN(C)C(=O)C 240690a_100000207549_100015343762 [1,1,0,0,0,0|1,0,1]=4 1161 B8R0.8 CCCCN(C)C(=O)C 527a_100000207549_100103153847 [1,1,0,0,0,0|1,0,1]=4 1162 B8R0.8 CCCNC(=O)C(=O)C 1458a_200011297150_200000210301 [1,1,0,0,0,0|1,0,1]=4 1163 B8R0.8 CCCNC(=O)C(=O)N 240690a_100020643023_100011215815 [1,1,0,0,0,0|2,0,0]=4 1164 B8R0.8 CCCNC(=O)C(=O)[13CH3] 1458a_200011297150_200025704644 [1,1,0,0,0,0|1,0,1]=4 1165 B8R0.8 CCCNC(=O)C(C)C 11a_100020643023_100000210198 [1,1,0,0,0,0|1,0,0]=3 1166 B8R0.8 CCCNC(=O)C(C)C 1626a_100020643023_100000210198 [1,1,0,0,0,0|1,0,0]=3 1167 B8R0.8 CCCNC(=O)C(C)C 240690a_100020643023_100000210198 [1,1,0,0,0,0|1,0,0]=3 1168 B8R0.8 CCCNC(=O)C(C)C 527a_100020643023_100000210198 [1,1,0,0,0,0|1,0,0]=3 1169 B8R0.8 CCCNC(=O)C(C)F 11a_100020643023_100000062450 [1,1,0,0,0,0|1,0,0]=3 1170 B8R0.8 CCCNC(=O)C(C)F 1626a_100020643023_100000062450 [1,1,0,0,0,0|1,0,0]=3 1171 B8R0.8 CCCNC(=O)C(C)F 240690a_100020643023_100000062450 [1,1,0,0,0,0|1,0,0]=3 1172 B8R0.8 CCCNC(=O)C(C)F 527a_100020643023_100000062450 [1,1,0,0,0,0|1,0,0]=3 1173 B8R0.8 CCCNC(=O)C(F)F 11a_100020643023_100000210393 [1,1,0,0,0,0|2,0,0]=4 1174 B8R0.8 CCCNC(=O)C(F)F 1626a_100020643023_100000210393 [1,1,0,0,0,0|2,0,0]=4 1175 B8R0.8 CCCNC(=O)C(F)F 240690a_100020643023_100000210393 [1,1,0,0,0,0|2,0,0]=4 1176 B8R0.8 CCCNC(=O)C(F)F 527a_100020643023_100000210393 [1,1,0,0,0,0|2,0,0]=4 1177 B8R0.8 CCCNC(=O)C(O)O 240690a_100020643023_100000233687 [1,1,0,0,0,0|2,0,0]=4 1178 B8R0.8 CCCNC(=O)N(C)C 2708a_100020643023_100102631434 [1,1,0,0,0,0|2,0,0]=4 1179 B8R0.8 CCCNC(=O)[C@@H](C)O 240690a_100020643023_100000717761 [1,1,0,0,0,0|1,0,0]=3 1180 B8R0.8 CCCNC(=O)[C@H](C)O 1626a_100020643023_217856618621 [1,1,0,0,0,0|1,0,0]=3 1181 B8R0.8 CCCNC(=O)[C@H](C)O 240690a_100020643023_217856618621 [1,1,0,0,0,0|1,0,0]=3 1182 B8R0.8 CCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210207 [1,1,0,0,0,0|1,0,1]=4 1183 B8R0.8 CCCN[C@H](C)C(=O)N 2230a_100000119354_100000210303 [1,1,0,0,0,0|1,0,1]=4 1184 B8R0.8 CCCN[C@H](C)C(=O)N 34a_100000119354_100000210303 [1,1,0,0,0,0|1,0,1]=4 1185 B8R0.8 CCCOC(C)C(=O)C 34a_100000212229_100000210303 [1,1,0,0,0,0|1,0,1]=4 1186 B8R0.8 CCCOC(C)C(=O)N 34a_100000210258_100000702099 [1,1,0,0,0,0|1,0,1]=4 1187 B8R0.8 CCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210303 [1,1,0,0,0,0|1,0,1]=4 1188 B8R0.8 CCCO[C@H](C)C(=O)N 34a_100000731257_100000210303 [1,1,0,0,0,0|1,0,1]=4 1189 B8R0.8 CCCO[C@H](C)C(=O)N 7a_100000731257_100000210303 [1,1,0,0,0,0|1,0,1]=4 1190 B8R0.8 CCCSC(C)C(=O)C 62a_100000210303_100009814033 [1,1,0,0,0,0|1,0,1]=4 1191 B8R0.8 CCCSC(C)C(=O)C 62a_100009814033_100000210303 [1,1,0,0,0,0|1,0,1]=4 1192 B8R0.8 CCCSC(C)C(=O)N 62a_100000210303_100000702099 [1,1,0,0,0,0|1,0,1]=4 1193 B8R0.8 CCCSC(C)C(=O)N 62a_100000702099_100000210303 [1,1,0,0,0,0|1,0,1]=4 1194 B8R0.8 CCNCC(=O)C(C)C 2230a_100015525214_100000753385 [1,1,0,0,0,0|1,0,1]=4 1195 B8R0.8 CCNNC(=O)C(C)C 22a_100000756455_100000210198 [1,1,0,0,0,0|2,0,0]=4 1196 B8R0.8 CCNNC(=O)C(C)F 22a_100000756455_100000062450 [1,1,0,0,0,0|2,0,0]=4 1197 B8R0.8 CCNNC(=O)[C@@H](C)O 22a_100000756455_100000717761 [1,1,0,0,0,0|2,0,0]=4 1198 B8R0.8 CCNNC(=O)[C@H](C)O 22a_100000756455_217856618621 [1,1,0,0,0,0|2,0,0]=4 1199 B8R0.8 CCOCC(=O)C(C)C 1458a_100000211967_100000210206 [1,1,0,0,0,0|1,0,1]=4 1200 B8R0.8 CCOCC(=O)C(C)C 34a_100121572206_100000753385 [1,1,0,0,0,0|1,0,1]=4 1201 B8R0.8 CCSCC(=O)C(C)C 1458a_100000230394_100000210206 [1,1,0,0,0,0|1,0,1]=4 1202 B8R0.8 CCSCC(=O)C(C)C 62a_100000210202_100000753385 [1,1,0,0,0,0|1,0,1]=4 1203 B8R0.8 CCSCC(=O)C(C)C 62a_100000753385_100000210202 [1,1,0,0,0,0|1,0,1]=4 1204 B8R0.8 COC=CC(=O)C(C)C 1458a_100016268678_100000210206 [1,1,0,0,0,0|1,0,1]=4 1205 B8R0.8 COCCC(=O)C(C)C 1458a_100000210198_100000233755 [1,1,0,0,0,0|1,0,1]=4 1206 B8R0.8 COCCC(=O)C(C)C 1458a_100000749529_100000210206 [1,1,0,0,0,0|1,0,1]=4 1207 B8R0.8 COCCC(=O)C(C)F 1458a_100000062450_100000233755 [1,1,0,0,0,0|1,0,1]=4 1208 B8R0.8 COCCC(=O)[C@@H](C)O 1458a_100000717761_100000233755 [1,1,0,0,0,0|1,0,1]=4 1209 B8R0.8 COCCC(=O)[C@H](C)O 1458a_217856618621_100000233755 [1,1,0,0,0,0|1,0,1]=4 1210 B8R0.8 CSCCC(=O)C(C)C 1458a_100000174002_100000210206 [1,1,0,0,0,0|1,0,1]=4 1211 B8R0.8 CSCCC(=O)C(C)C 1458a_100000210198_100000751147 [1,1,0,0,0,0|1,0,1]=4 1212 B8R0.8 CSCCC(=O)C(C)F 1458a_100000062450_100000751147 [1,1,0,0,0,0|1,0,1]=4 1213 B8R0.8 CSCCC(=O)[C@@H](C)O 1458a_100000717761_100000751147 [1,1,0,0,0,0|1,0,1]=4 1214 B8R0.8 CSCCC(=O)[C@H](C)O 1458a_217856618621_100000751147 [1,1,0,0,0,0|1,0,1]=4 1215 B8R0.8 CSCOC(=O)C(C)C 62a_100000139345_200000210301 [1,1,0,0,0,0|2,0,0]=4 1216 B8R0.8 CSCOC(=O)C(C)C 62a_200000210301_100000139345 [1,1,0,0,0,0|2,0,0]=4 1217 B8R0.8 C[C@@H](O)C(=O)CCCF 1458a_100000717761_100011934791 [1,1,0,0,0,0|1,0,1]=4 1218 B8R0.8 C[C@@H](O)C(=O)CCCO 1458a_100000717761_100011215043 [1,1,0,0,0,0|1,0,1]=4 1219 B8R0.8 C[C@@H](O)C(=O)NCCF 240690a_100000724931_100000717761 [1,1,0,0,0,0|2,0,0]=4 1220 B8R0.8 C[C@@H](O)C(=O)NCCO 240690a_100000210304_100000717761 [1,1,0,0,0,0|2,0,0]=4 1221 B8R0.8 C[C@H](O)C(=O)CCCF 1458a_217856618621_100011934791 [1,1,0,0,0,0|1,0,1]=4 1222 B8R0.8 C[C@H](O)C(=O)CCCO 1458a_217856618621_100011215043 [1,1,0,0,0,0|1,0,1]=4 1223 B8R0.8 C[C@H](O)C(=O)NCCF 1626a_100000724931_217856618621 [1,1,0,0,0,0|2,0,0]=4 1224 B8R0.8 C[C@H](O)C(=O)NCCF 240690a_100000724931_217856618621 [1,1,0,0,0,0|2,0,0]=4 1225 B8R0.8 C[C@H](O)C(=O)NCCO 240690a_100000210304_217856618621 [1,1,0,0,0,0|2,0,0]=4 1226 B8R0.9 C=C(C)CCC(=O)CC 1458a_100000210414_100000730704 [1,1,0,0,0,0|0,0,2]=4 1227 B8R0.9 C=C(C)CCC(=O)CC 1458a_200000688413_100000210202 [1,1,0,0,0,0|0,0,2]=4 1228 B8R0.9 C=C(C)CNC(=O)CC 11a_100000765925_100000210414 [1,1,0,0,0,0|1,0,1]=4 1229 B8R0.9 C=C(C)CNC(=O)CC 1626a_100000765925_100000210414 [1,1,0,0,0,0|1,0,1]=4 1230 B8R0.9 C=C(C)CNC(=O)CC 240690a_100000765925_100000210414 [1,1,0,0,0,0|1,0,1]=4 1231 B8R0.9 C=C(C)CNC(=O)CC 527a_100000765925_100000210414 [1,1,0,0,0,0|1,0,1]=4 1232 B8R0.9 CC(C)C=CC(=O)CF 1458a_100016268746_100015361967 [1,1,0,0,0,0|1,0,1]=4 1233 B8R0.9 CC(C)CCC(=O)CF 1458a_100000181311_100015361967 [1,1,0,0,0,0|1,0,1]=4 1234 B8R0.9 CC(C)CCC(=O)CO 1458a_100000210174_100000210312 [1,1,0,0,0,0|1,0,1]=4 1235 B8R0.9 CC(C)CNC(=O)CO 240690a_100000210953_100000210174 [1,1,0,0,0,0|2,0,0]=4 1236 B8R0.9 CC(C)CNC(=O)CO 527a_100000210953_100000210174 [1,1,0,0,0,0|2,0,0]=4 1237 B8R0.9 CC(O)CCC(=O)CO 1458a_100000210174_100012276601 [1,1,0,0,0,0|1,0,1]=4 1238 B8R0.9 CC(O)CNC(=O)CO 240690a_100000210904_100000210174 [1,1,0,0,0,0|2,0,0]=4 1239 B8R0.9 CC(O)CNC(=O)CO 527a_100000210904_100000210174 [1,1,0,0,0,0|2,0,0]=4 1240 B8R0.9 CCC(=O)C=CC(C)C 1458a_100016268746_100000210202 [1,1,0,0,0,0|0,0,1]=3 1241 B8R0.9 CCC(=O)CCC(C)C 1458a_100000181311_100000210202 [1,1,0,0,0,0|0,0,1]=3 1242 B8R0.9 CCC(=O)CCC(C)C 1458a_100000210414_100000210312 [1,1,0,0,0,0|0,0,1]=3 1243 B8R0.9 CCC(=O)CCC(C)O 1458a_100000210414_100012276601 [1,1,0,0,0,0|0,0,1]=3 1244 B8R0.9 CCC(=O)CC[S+](C)C 1458a_100009452791_100000210202 [1,1,0,0,0,0|1,0,1]=4 1245 B8R0.9 CCC(=O)COC(C)C 1458a_100000745533_100000210202 [1,1,0,0,0,0|1,0,1]=4 1246 B8R0.9 CCC(=O)COC(C)C 34a_100000725409_100000210206 [1,1,0,0,0,0|1,0,1]=4 1247 B8R0.9 CCC(=O)CSC(C)C 1458a_100000241585_100000210202 [1,1,0,0,0,0|1,0,1]=4 1248 B8R0.9 CCC(=O)CSC(C)C 62a_100000210206_100000747405 [1,1,0,0,0,0|1,0,1]=4 1249 B8R0.9 CCC(=O)CSC(C)C 62a_100000747405_100000210206 [1,1,0,0,0,0|1,0,1]=4 1250 B8R0.9 CCC(=O)NCC(=O)C 1458a_100000194589_200000210301 [1,1,0,0,0,0|1,0,1]=4 1251 B8R0.9 CCC(=O)NCC(=O)[13CH3] 1458a_100000194589_200025704644 [1,1,0,0,0,0|1,0,1]=4 1252 B8R0.9 CCC(=O)NCC(C)C 11a_100000210953_100000210414 [1,1,0,0,0,0|1,0,0]=3 1253 B8R0.9 CCC(=O)NCC(C)C 1626a_100000210953_100000210414 [1,1,0,0,0,0|1,0,0]=3 1254 B8R0.9 CCC(=O)NCC(C)C 240690a_100000210953_100000210414 [1,1,0,0,0,0|1,0,0]=3 1255 B8R0.9 CCC(=O)NCC(C)C 527a_100000210953_100000210414 [1,1,0,0,0,0|1,0,0]=3 1256 B8R0.9 CCC(=O)NCC(C)O 11a_100000210904_100000210414 [1,1,0,0,0,0|1,0,0]=3 1257 B8R0.9 CCC(=O)NCC(C)O 240690a_100000210904_100000210414 [1,1,0,0,0,0|1,0,0]=3 1258 B8R0.9 CCC(=O)NCC(C)O 527a_100000210904_100000210414 [1,1,0,0,0,0|1,0,0]=3 1259 B8R0.9 CCC(=O)NCC(F)F 11a_100000765723_100000210414 [1,1,0,0,0,0|2,0,0]=4 1260 B8R0.9 CCC(=O)NCC(F)F 1626a_100000765723_100000210414 [1,1,0,0,0,0|2,0,0]=4 1261 B8R0.9 CCC(=O)NCC(F)F 240690a_100000765723_100000210414 [1,1,0,0,0,0|2,0,0]=4 1262 B8R0.9 CCC(=O)NCC(F)F 527a_100000765723_100000210414 [1,1,0,0,0,0|2,0,0]=4 1263 B8R0.9 CCC(=O)NNC(C)C 22a_100000741168_100000210414 [1,1,0,0,0,0|2,0,0]=4 1264 B8R0.9 CNC(=O)C=CC(C)C 11a_106832991635_100016268746 [1,1,0,0,0,0|1,0,1]=4 1265 B8R0.9 CNC(=O)C=CC(C)C 1626a_100102657272_100016268746 [1,1,0,0,0,0|1,0,1]=4 1266 B8R0.9 CNC(=O)C=CC(C)C 240690a_100102657272_100016268746 [1,1,0,0,0,0|1,0,1]=4 1267 B8R0.9 CNC(=O)CCC(C)C 11a_106832991635_100000181311 [1,1,0,0,0,0|1,0,1]=4 1268 B8R0.9 CNC(=O)CCC(C)C 1626a_100102657272_100000181311 [1,1,0,0,0,0|1,0,1]=4 1269 B8R0.9 CNC(=O)CCC(C)C 240690a_100102657272_100000181311 [1,1,0,0,0,0|1,0,1]=4 1270 B8R0.9 CNC(=O)CCC(C)C 527a_100102657272_100000181311 [1,1,0,0,0,0|1,0,1]=4 1271 B8R0.9 CNC(=O)CCC(C)O 1626a_100102657272_100000718519 [1,1,0,0,0,0|1,0,1]=4 1272 B8R0.9 CNC(=O)NCC(C)C 2708a_100000210953_106832991635 [1,1,0,0,0,0|2,0,0]=4 1273 B8R0.9 CNC(=O)NCC(C)C 2708a_100102657272_100000210953 [1,1,0,0,0,0|2,0,0]=4 1274 B8R0.9 CNC(=O)NCC(C)C 273464a_100000210953_100102657272 [1,1,0,0,0,0|2,0,0]=4 1275 B8R0.9 CNC(=O)NCC(C)C 273464a_100102657272_100000210953 [1,1,0,0,0,0|2,0,0]=4 1276 B8R0.9 CNC(=O)NCC(C)C 512a_100000210953_100102657272 [1,1,0,0,0,0|2,0,0]=4 1277 B8R0.9 CNC(=O)NCC(C)C 512a_106832991638_100000210953 [1,1,0,0,0,0|2,0,0]=4 1278 B8R0.9 CNC(=O)NCC(C)O 2708a_100102657272_100000210904 [1,1,0,0,0,0|2,0,0]=4 1279 B8R0.9 CNC(=O)NCC(C)O 273464a_100000210904_100102657272 [1,1,0,0,0,0|2,0,0]=4 1280 B8R0.9 CNC(=O)NCC(C)O 273464a_100102657272_100000210904 [1,1,0,0,0,0|2,0,0]=4 1281 B8R0.9 CNC(=O)NCC(C)O 512a_100000210904_100102657272 [1,1,0,0,0,0|2,0,0]=4 1282 B8R0.9 CNC(=O)NCC(C)O 512a_106832991638_100000210904 [1,1,0,0,0,0|2,0,0]=4 1283 B8R0.19 CCC(=CC(=O)CF)C 1458a_100020758463_100015361967 [1,1,0,0,0,0|1,0,1]=4 1284 B8R0.19 CCC(=CC(=O)NC)C 11a_106832991635_100020758463 [1,1,0,0,0,0|1,0,1]=4 1285 B8R0.19 CCC(=CC(=O)NC)C 1626a_100102657272_100020758463 [1,1,0,0,0,0|1,0,1]=4 1286 B8R0.19 CCC(=CC(=O)NC)C 240690a_100102657272_100020758463 [1,1,0,0,0,0|1,0,1]=4 1287 B8R0.19 CCC(=O)C=C(C)CC 1458a_100020758463_100000210202 [1,1,0,0,0,0|0,0,1]=3 1288 B8R0.19 CCC(=O)CC(=O)CC 1458a_100000210414_100000747405 [1,1,0,0,0,0|0,0,2]=4 1289 B8R0.19 CCC(=O)CC(C)CC 1458a_100000210414_100000748023 [1,1,0,0,0,0|0,0,1]=3 1290 B8R0.19 CCC(=O)CC(C)CC 1458a_100000708755_100000210202 [1,1,0,0,0,0|0,0,1]=3 1291 B8R0.19 CCC(=O)CC(O)CC 1458a_100000210414_100011218378 [1,1,0,0,0,0|0,0,1]=3 1292 B8R0.19 CCC(=O)CC(O)CC 1458a_100011667805_100000210202 [1,1,0,0,0,0|0,0,1]=3 1293 B8R0.19 CCC(=O)CN(C)CC 1458a_100116209913_100000210202 [1,1,0,0,0,0|1,0,1]=4 1294 B8R0.19 CCC(=O)CN(C)CC 269982a_100000225621_100000747405 [1,1,0,0,0,0|1,0,1]=4 1295 B8R0.19 CCC(=O)C[C@@H](C)CC 1458a_100000210414_100009816398 [1,1,0,0,0,0|0,0,1]=3 1296 B8R0.19 CCC(=O)C[C@@H](C)CO 1458a_100000210414_100000059175 [1,1,0,0,0,0|1,0,1]=4 1297 B8R0.19 CCC(=O)NC(C)CC 11a_100000209981_100000210414 [1,1,0,0,0,0|1,0,0]=3 1298 B8R0.19 CCC(=O)NC(C)CC 1626a_100000209981_100000210414 [1,1,0,0,0,0|1,0,0]=3 1299 B8R0.19 CCC(=O)NC(C)CC 240690a_100000209981_100000210414 [1,1,0,0,0,0|1,0,0]=3 1300 B8R0.19 CCC(=O)NC(C)CC 527a_100000209981_100000210414 [1,1,0,0,0,0|1,0,0]=3 1301 B8R0.19 CCC(=O)N[C@H](C)CF 11a_100102880703_100000210414 [1,1,0,0,0,0|2,0,0]=4 1302 B8R0.19 CCC(=O)N[C@H](C)CF 1626a_100102880703_100000210414 [1,1,0,0,0,0|2,0,0]=4 1303 B8R0.19 CCC(=O)N[C@H](C)CF 240690a_100102880703_100000210414 [1,1,0,0,0,0|2,0,0]=4 1304 B8R0.19 CCC(=O)N[C@H](C)CF 527a_100102880703_100000210414 [1,1,0,0,0,0|2,0,0]=4 1305 B8R0.19 CCC(=O)N[C@H](C)CO 240690a_100000737577_100000210414 [1,1,0,0,0,0|2,0,0]=4 1306 B8R0.19 CCC(=O)N[C@H](C)CO 527a_100000737577_100000210414 [1,1,0,0,0,0|2,0,0]=4 1307 B8R0.19 CCC(C)CC(=O)CF 1458a_100000708755_100015361967 [1,1,0,0,0,0|1,0,1]=4 1308 B8R0.19 CCC(C)CC(=O)CO 1458a_100000210174_100000748023 [1,1,0,0,0,0|1,0,1]=4 1309 B8R0.19 CCC(C)CC(=O)NC 11a_106832991635_100000708755 [1,1,0,0,0,0|1,0,1]=4 1310 B8R0.19 CCC(C)CC(=O)NC 1626a_100102657272_100000708755 [1,1,0,0,0,0|1,0,1]=4 1311 B8R0.19 CCC(C)CC(=O)NC 240690a_100102657272_100000708755 [1,1,0,0,0,0|1,0,1]=4 1312 B8R0.19 CCC(C)CC(=O)NC 527a_100102657272_100000708755 [1,1,0,0,0,0|1,0,1]=4 1313 B8R0.19 CCC(C)NC(=O)CO 240690a_100000209981_100000210174 [1,1,0,0,0,0|2,0,0]=4 1314 B8R0.19 CCC(C)NC(=O)CO 527a_100000209981_100000210174 [1,1,0,0,0,0|2,0,0]=4 1315 B8R0.19 CCC(C)NC(=O)NC 2708a_100000209981_106832991635 [1,1,0,0,0,0|2,0,0]=4 1316 B8R0.19 CCC(C)NC(=O)NC 2708a_100102657272_100000209981 [1,1,0,0,0,0|2,0,0]=4 1317 B8R0.19 CCC(C)NC(=O)NC 273464a_100000209981_100102657272 [1,1,0,0,0,0|2,0,0]=4 1318 B8R0.19 CCC(C)NC(=O)NC 273464a_100102657272_100000209981 [1,1,0,0,0,0|2,0,0]=4 1319 B8R0.19 CCC(C)NC(=O)NC 512a_100000209981_100102657272 [1,1,0,0,0,0|2,0,0]=4 1320 B8R0.19 CCC(C)NC(=O)NC 512a_106832991638_100000209981 [1,1,0,0,0,0|2,0,0]=4 1321 B8R0.19 CCC(O)CC(=O)CF 1458a_100011667805_100015361967 [1,1,0,0,0,0|1,0,1]=4 1322 B8R0.19 CCC(O)CC(=O)CO 1458a_100000210174_100011218378 [1,1,0,0,0,0|1,0,1]=4 1323 B8R0.19 CCC(O)CC(=O)NC 1626a_100102657272_100011667805 [1,1,0,0,0,0|1,0,1]=4 1324 B8R0.19 CCC(O)CC(=O)NC 240690a_100102657272_100011667805 [1,1,0,0,0,0|1,0,1]=4 1325 B8R0.19 CC[C@H](C)CC(=O)CO 1458a_100000210174_100009816398 [1,1,0,0,0,0|1,0,1]=4 1326 B8R0.25 CCCNS(=O)(=O)CC 270084a_100020643023_100000211323 [1,1,0,0,0,0|2,0,0]=4 1327 B8R0.25 CCCNS(=O)(=O)CC 274078a_100020643023_100000211323 [1,1,0,0,0,0|2,0,0]=4 1328 B8R0.25 CCCNS(=O)(=O)CC 40a_100020643023_100000053943 [1,1,0,0,0,0|2,0,0]=4 1329 B8R0.15 CCCC(CC)C(=O)C 1458a_100000070787_100011219200 [1,1,0,0,0,0|0,0,1]=3 1330 B8R0.15 CCCC(CC)C(=O)C 1458a_100011416436_200000210301 [1,1,0,0,0,0|0,0,1]=3 1331 B8R0.15 CCCC(CC)C(=O)[13CH3] 1458a_100011416436_200025704644 [1,1,0,0,0,0|0,0,1]=3 1332 B8R0.15 CCCC(OC)C(=O)N 34a_100011626294_200000210301 [1,1,0,0,0,0|1,0,1]=4 1333 B8R0.15 CCCC(OC)C(=O)N 7a_100011626294_200000210301 [1,1,0,0,0,0|1,0,1]=4 1334 B8R0.15 CCCC(O[13CH3])C(=O)N 34a_100011626294_200025704644 [1,1,0,0,0,0|1,0,1]=4 1335 B8R0.15 CCCC(O[13CH3])C(=O)N 7a_100011626294_200025704644 [1,1,0,0,0,0|1,0,1]=4 1336 B8R0.15 CCCN(CC)C(=O)C 11a_100000226822_100015343762 [1,1,0,0,0,0|1,0,0]=3 1337 B8R0.15 CCCN(CC)C(=O)C 1626a_100000226822_100015343762 [1,1,0,0,0,0|1,0,0]=3 1338 B8R0.15 CCCN(CC)C(=O)C 240690a_100000226822_100015343762 [1,1,0,0,0,0|1,0,0]=3 1339 B8R0.15 CCCN(CC)C(=O)C 527a_100000226822_100103153847 [1,1,0,0,0,0|1,0,0]=3 1340 B8R0.15 CCC[C@H](NC)C(=O)N 2230a_100000729256_200000210301 [1,1,0,0,0,0|1,0,1]=4 1341 B8R0.15 CCC[C@H](NC)C(=O)N 34a_100000729256_200000210301 [1,1,0,0,0,0|1,0,1]=4 1342 B8R0.15 CCC[C@H](NC)C(=O)O 269956a_100000750406_200000210301 [1,1,0,0,0,0|1,0,1]=4 1343 B8R0.15 CCC[C@H](N[13CH3])C(=O)N 2230a_100000729256_200025704644 [1,1,0,0,0,0|1,0,1]=4 1344 B8R0.15 CCC[C@H](N[13CH3])C(=O)N 34a_100000729256_200025704644 [1,1,0,0,0,0|1,0,1]=4 1345 B8R0.15 CCC[C@H](N[13CH3])C(=O)O 269956a_100000750406_200025704644 [1,1,0,0,0,0|1,0,1]=4 1346 B8R0.15 CCN(CCO)C(=O)C 240690a_100000210973_100015343762 [1,1,0,0,0,0|2,0,0]=4 1347 B8R0.15 CCN(CCO)C(=O)C 527a_100000210973_100103153847 [1,1,0,0,0,0|2,0,0]=4 1348 B8R0.15 CCNC(CC)C(=O)N 2230a_100000733705_100000210202 [1,1,0,0,0,0|1,0,1]=4 1349 B8R0.15 CCNC(CC)C(=O)N 2230a_100015525214_100000750255 [1,1,0,0,0,0|1,0,1]=4 1350 B8R0.15 CCNC(CC)C(=O)N 34a_100000733705_100000210202 [1,1,0,0,0,0|1,0,1]=4 1351 B8R0.15 CCN[C@H](CC)C(=O)O 269956a_100000747097_100000210202 [1,1,0,0,0,0|1,0,1]=4 1352 B8R0.15 CCOC(CC)C(=O)N 34a_100121572206_100000750255 [1,1,0,0,0,0|1,0,1]=4 1353 B8R0.15 CCSC(CC)C(=O)N 62a_100000210202_100000750255 [1,1,0,0,0,0|1,0,1]=4 1354 B8R0.15 CCSC(CC)C(=O)N 62a_100000750255_100000210202 [1,1,0,0,0,0|1,0,1]=4 1355 B8R0.22 C=CC(CCC)OCC 34a_100011216692_100000210202 [1,1,0,0,0,0|1,0,1]=4 1356 B8R0.22 C=CC(CCC)OCC 7a_100011216692_100000210202 [1,1,0,0,0,0|1,0,1]=4 1357 B8R0.22 C=CCN(CC)CCC 2230a_100000226822_100000210623 [1,1,0,0,0,0|2,0,0]=4 1358 B8R0.22 C=CCN(CC)CCC 269982a_100000226822_100000210623 [1,1,0,0,0,0|2,0,0]=4 1359 B8R0.22 CCCN(CC)CC=O 2230a_100000226822_200015260668 [1,1,0,0,0,0|1,0,0]=3 1360 B8R0.22 CCCN(CC)CC=O 269982a_100000226822_200015260668 [1,1,0,0,0,0|1,0,0]=3 1361 B8R0.22 CCN(CC=O)CCO 2230a_100000210973_200015260668 [1,1,0,0,0,0|2,0,0]=4 1362 B8R0.22 CCN(CC=O)CCO 269982a_100000210973_200015260668 [1,1,0,0,0,0|2,0,0]=4 1363 B10R0.17 CCCCN(C(=O)C)C(C)C 11a_100000207398_100015343762 [0,2,0,0,0,0|1,0,1]=4 1364 B10R0.17 CCCCN(C(=O)C)C(C)C 1626a_100000207398_100015343762 [0,2,0,0,0,0|1,0,1]=4 1365 B10R0.17 CCCCN(C(=O)C)C(C)C 240690a_100000207398_100015343762 [0,2,0,0,0,0|1,0,1]=4 1366 B10R0.17 CCCCN(C(=O)C)C(C)C 527a_100000207398_100103153847 [0,2,0,0,0,0|1,0,1]=4 1367 B10R0.17 CCCNC(C(=O)O)C(C)O 269956a_100000185852_100000210207 [0,2,0,0,0,0|1,0,1]=4 1368 B10R0.17 CCCN[C@@H](C(=O)O)C(C)C 269956a_100000745019_100000210207 [0,2,0,0,0,0|1,0,1]=4 1369 B10R0.17 CCCN[C@H](C(=O)N)[C@@H](C)O 2230a_100000003557_100000210303 [0,2,0,0,0,0|1,0,1]=4 1370 B10R0.17 CCCOC(C(=O)N)C(C)C 34a_100000210258_100000230017 [0,2,0,0,0,0|1,0,1]=4 1371 B10R0.17 CCCSC(C(=O)N)C(C)C 62a_100000210303_100000230017 [0,2,0,0,0,0|1,0,1]=4 1372 B10R0.17 CCCSC(C(=O)N)C(C)C 62a_100000230017_100000210303 [0,2,0,0,0,0|1,0,1]=4 1373 B10R0.53 CCC(C)NC(CC)C(=O)N 2230a_100000209981_100000750255 [0,2,0,0,0,0|1,0,1]=4 1374 B10R0.53 CCC(C)NC(CC)C(=O)N 2230a_100000733705_100000758301 [0,2,0,0,0,0|1,0,1]=4 1375 B10R0.53 CCC(C)NC(CC)C(=O)N 34a_100000733705_100011215416 [0,2,0,0,0,0|1,0,1]=4 1376 B10R0.53 CCC(C)N[C@H](CC)C(=O)O 269956a_100000747097_100000758301 [0,2,0,0,0,0|1,0,1]=4 1377 B10R0.53 CCC(C)OC(CC)C(=O)N 7a_100000210228_100000750255 [0,2,0,0,0,0|1,0,1]=4 1378 B10R0.53 CCC(C)SC(CC)C(=O)N 62a_100000750255_100000758301 [0,2,0,0,0,0|1,0,1]=4 1379 B10R0.53 CCC(C)SC(CC)C(=O)N 62a_100000758301_100000750255 [0,2,0,0,0,0|1,0,1]=4 1380 B10R0.53 CCC(O)CN(CC)C(=O)C 11a_100011365200_100015343762 [0,2,0,0,0,0|1,0,1]=4 1381 B10R0.53 CCC(O)CN(CC)C(=O)C 1626a_100011365200_100015343762 [0,2,0,0,0,0|1,0,1]=4 1382 B10R0.53 CCC(O)CN(CC)C(=O)C 240690a_100011365200_100015343762 [0,2,0,0,0,0|1,0,1]=4 1383 B10R0.53 CCC(O)CN(CC)C(=O)C 527a_100011365200_100103153847 [0,2,0,0,0,0|1,0,1]=4 1384 B10R0.84 CCC(NCC(C)C)C(=O)N 2230a_100000210953_100000750255 [0,2,0,0,0,0|1,0,1]=4 1385 B10R0.84 CCC(NCC(C)C)C(=O)N 2230a_100000733705_100000210760 [0,2,0,0,0,0|1,0,1]=4 1386 B10R0.84 CCC(NCC(C)C)C(=O)N 34a_100000210953_100000750255 [0,2,0,0,0,0|1,0,1]=4 1387 B10R0.84 CCC(NCC(C)C)C(=O)N 34a_100000733705_100000210624 [0,2,0,0,0,0|1,0,1]=4 1388 B10R0.84 CCC(NCC(C)O)C(=O)N 2230a_100000210904_100000750255 [0,2,0,0,0,0|1,0,1]=4 1389 B10R0.84 CCC(NCC(C)O)C(=O)N 2230a_100000733705_100011218427 [0,2,0,0,0,0|1,0,1]=4 1390 B10R0.84 CCC(NCC(C)O)C(=O)N 34a_100000210904_100000750255 [0,2,0,0,0,0|1,0,1]=4 1391 B10R0.84 CCC(NCC(C)O)C(=O)N 34a_100000733705_100011218427 [0,2,0,0,0,0|1,0,1]=4 1392 B10R0.84 CCC(NC[C@@H](C)O)C(=O)N 2230a_100000733705_100009817552 [0,2,0,0,0,0|1,0,1]=4 1393 B10R0.84 CCC(NC[C@@H](C)O)C(=O)N 34a_100000733705_100009817552 [0,2,0,0,0,0|1,0,1]=4 1394 B10R0.84 CCC(OCC(C)Br)C(=O)N 34a_100012180447_100000750255 [0,2,0,0,0,0|1,0,1]=4 1395 B10R0.84 CCC(OCC(C)C)C(=O)N 34a_100000210257_100000750255 [0,2,0,0,0,0|1,0,1]=4 1396 B10R0.84 CCC(OCC(C)F)C(=O)N 34a_100015925927_100000750255 [0,2,0,0,0,0|1,0,1]=4 1397 B10R0.84 CCC(OC[C@@H](C)Cl)C(=O)N 34a_100016084084_100000750255 [0,2,0,0,0,0|1,0,1]=4 1398 B10R0.84 CCC(OC[C@@H](C)N)C(=O)N 34a_100000737577_100000750255 [0,2,0,0,0,0|1,0,1]=4 1399 B10R0.84 CCC(SCC(C)C)C(=O)N 62a_100000210624_100000750255 [0,2,0,0,0,0|1,0,1]=4 1400 B10R0.84 CCC(SCC(C)C)C(=O)N 62a_100000750255_100000210760 [0,2,0,0,0,0|1,0,1]=4 1401 B10R0.84 CCC(SCC(C)O)C(=O)N 62a_100000750255_100011218427 [0,2,0,0,0,0|1,0,1]=4 1402 B10R0.84 CCC(SCC(C)O)C(=O)N 62a_100011218427_100000750255 [0,2,0,0,0,0|1,0,1]=4 1403 B10R0.84 CCC(SC[C@@H](C)O)C(=O)N 62a_100000750255_100009817552 [0,2,0,0,0,0|1,0,1]=4 1404 B10R0.84 CCC(SC[C@@H](C)O)C(=O)N 62a_100009817552_100000750255 [0,2,0,0,0,0|1,0,1]=4 1405 B10R0.84 CCN(CCC(C)C)C(=O)C 11a_100000207693_100015343762 [0,2,0,0,0,0|1,0,1]=4 1406 B10R0.84 CCN(CCC(C)C)C(=O)C 1626a_100000207693_100015343762 [0,2,0,0,0,0|1,0,1]=4 1407 B10R0.84 CCN(CCC(C)C)C(=O)C 240690a_100000207693_100015343762 [0,2,0,0,0,0|1,0,1]=4 1408 B10R0.84 CCN(CCC(C)C)C(=O)C 527a_100000207693_100103153847 [0,2,0,0,0,0|1,0,1]=4 1409 B10R0.84 CC[C@@H](NCC(C)C)C(=O)O 269956a_100000747097_100000210760 [0,2,0,0,0,0|1,0,1]=4 1410 B10R0.84 CC[C@@H](NCC(C)O)C(=O)O 269956a_100000747097_100011218427 [0,2,0,0,0,0|1,0,1]=4 1411 B10R0.84 CC[C@@H](NC[C@@H](C)O)C(=O)O 269956a_100000747097_100009817552 [0,2,0,0,0,0|1,0,1]=4 1412 B10R0.85 C#CC(=O)C(CC)CCCC 1458a_100000211873_200011216223 [0,2,0,0,0,0|0,0,2]=4 1413 B10R0.85 C=CC(=O)C(CC)CCCC 1458a_100000185746_200011216223 [0,2,0,0,0,0|0,0,2]=4 1414 B10R0.85 C=CC(=O)N(CC)CCCC 1626a_100000207695_100000185746 [0,2,0,0,0,0|1,0,1]=4 1415 B10R0.85 C=CC(=O)N(CC)CCCC 240690a_100000207695_200121576911 [0,2,0,0,0,0|1,0,1]=4 1416 B10R0.85 CCCCC(CC)C(=O)CC 1458a_100000210414_200011216223 [0,2,0,0,0,0|0,0,2]=4 1417 B10R0.85 CCCCC(CC)C(=O)CC 1458a_100000211130_100000210202 [0,2,0,0,0,0|0,0,2]=4 1418 B10R0.85 CCCCC(CC)C(=O)CF 1458a_100000211130_100015361967 [0,2,0,0,0,0|0,0,2]=4 1419 B10R0.85 CCCCC(CC)C(=O)CO 1458a_100000210174_200011216223 [0,2,0,0,0,0|0,0,2]=4 1420 B10R0.85 CCCCC(CC)C(=O)NC 11a_106832991635_100000211130 [0,2,0,0,0,0|0,0,2]=4 1421 B10R0.85 CCCCC(CC)C(=O)NC 1626a_100102657272_100000211130 [0,2,0,0,0,0|0,0,2]=4 1422 B10R0.85 CCCCC(CC)C(=O)NC 240690a_100102657272_100000211130 [0,2,0,0,0,0|0,0,2]=4 1423 B10R0.85 CCCCC(CC)C(=O)NC 527a_100102657272_100000211130 [0,2,0,0,0,0|0,0,2]=4 1424 B10R0.85 CCCCN(CC)C(=O)CC 11a_100000207695_100000210414 [0,2,0,0,0,0|1,0,1]=4 1425 B10R0.85 CCCCN(CC)C(=O)CC 1626a_100000207695_100000210414 [0,2,0,0,0,0|1,0,1]=4 1426 B10R0.85 CCCCN(CC)C(=O)CC 240690a_100000207695_100000210414 [0,2,0,0,0,0|1,0,1]=4 1427 B10R0.85 CCCCN(CC)C(=O)CC 527a_100000207695_100000210414 [0,2,0,0,0,0|1,0,1]=4 1428 B10R0.85 CCCCN(CC)C(=O)CO 240690a_100000207695_100000210174 [0,2,0,0,0,0|1,0,1]=4 1429 B10R0.85 CCCCN(CC)C(=O)CO 527a_100000207695_100000210174 [0,2,0,0,0,0|1,0,1]=4 1430 B10R0.85 CCCCN(CC)C(=O)NC 2708a_100102657272_100000207695 [0,2,0,0,0,0|1,0,1]=4 1431 B10R0.85 CCCCN(CC)C(=O)NC 273464a_100102657272_100000207695 [0,2,0,0,0,0|1,0,1]=4 1432 B10R0.85 CCCN[C@@H](CC)C(=O)NC 2230a_106657271573_100000210303 [0,2,0,0,0,0|1,0,1]=4 1433 B10R0.85 CCCN[C@@H](CC)C(=O)NC 34a_106657271573_100000210303 [0,2,0,0,0,0|1,0,1]=4 1434 B10R0.85 CCCOC(CC)C(=O)CC 34a_200011218131_100000210303 [0,2,0,0,0,0|1,0,1]=4 1435 B10R0.85 CCCOC(CC)C(=O)CC 7a_200011218131_100000210303 [0,2,0,0,0,0|1,0,1]=4 1436 B10R0.85 CCCOC(CC)C(=O)OC 34a_100000210258_100000235869 [0,2,0,0,0,0|1,0,1]=4 1437 B10R0.85 CCCOC(CC)C(=O)OC 34a_100000695916_100000210303 [0,2,0,0,0,0|1,0,1]=4 1438 B10R0.85 CCCOC(CC)C(=O)OC 7a_100000695916_100000210303 [0,2,0,0,0,0|1,0,1]=4 1439 B10R0.85 CCCSC(CC)C(=O)OC 62a_100000210303_100000235869 [0,2,0,0,0,0|1,0,1]=4 1440 B10R0.85 CCCSC(CC)C(=O)OC 62a_100000235869_100000210303 [0,2,0,0,0,0|1,0,1]=4 1441 B10R0.85 CCNN=C(CC)C(=O)OC 4a_100000756455_100000688641 [0,2,0,0,0,0|2,0,0]=4 1442 B10R0.86 CCC(NCCCF)C(=O)N 2230a_100000733705_100011934791 [0,2,0,0,0,0|1,0,1]=4 1443 B10R0.86 CCC(NCCCF)C(=O)N 2230a_100015189416_100000750255 [0,2,0,0,0,0|1,0,1]=4 1444 B10R0.86 CCC(NCCCF)C(=O)N 34a_100000733705_100011934791 [0,2,0,0,0,0|1,0,1]=4 1445 B10R0.86 CCC(NCCCF)C(=O)N 34a_100015189416_100000750255 [0,2,0,0,0,0|1,0,1]=4 1446 B10R0.86 CCC(NCCCO)C(=O)N 2230a_100000733705_100000230001 [0,2,0,0,0,0|1,0,1]=4 1447 B10R0.86 CCC(NCCCO)C(=O)N 34a_100000733705_100000230001 [0,2,0,0,0,0|1,0,1]=4 1448 B10R0.86 CCC(NCCOC)C(=O)N 2230a_100000209980_100000750255 [0,2,0,0,0,0|1,0,1]=4 1449 B10R0.86 CCC(NCCOC)C(=O)N 2230a_100000733705_100011201679 [0,2,0,0,0,0|1,0,1]=4 1450 B10R0.86 CCC(NCCOC)C(=O)N 34a_100000733705_100011201679 [0,2,0,0,0,0|1,0,1]=4 1451 B10R0.86 CCC(NCCSC)C(=O)N 2230a_100000733705_100000751147 [0,2,0,0,0,0|1,0,1]=4 1452 B10R0.86 CCC(NCCSC)C(=O)N 2230a_100020590264_100000750255 [0,2,0,0,0,0|1,0,1]=4 1453 B10R0.86 CCC(NCCSC)C(=O)N 34a_100000733705_100000212216 [0,2,0,0,0,0|1,0,1]=4 1454 B10R0.86 CCC(OCCCBr)C(=O)N 34a_100011217188_100000750255 [0,2,0,0,0,0|1,0,1]=4 1455 B10R0.86 CCC(OCCCCl)C(=O)N 34a_100000230001_100000750255 [0,2,0,0,0,0|1,0,1]=4 1456 B10R0.86 CCC(OCCCF)C(=O)N 34a_100000759539_100000750255 [0,2,0,0,0,0|1,0,1]=4 1457 B10R0.86 CCC(OCCCN)C(=O)N 34a_100000182051_100000750255 [0,2,0,0,0,0|1,0,1]=4 1458 B10R0.86 CCC(OCCOC)C(=O)N 34a_100000210237_100000750255 [0,2,0,0,0,0|1,0,1]=4 1459 B10R0.86 CCC(OCCSC)C(=O)N 34a_100000230434_100000750255 [0,2,0,0,0,0|1,0,1]=4 1460 B10R0.86 CCC(OCCSC)C(=O)N 7a_100000230434_100000750255 [0,2,0,0,0,0|1,0,1]=4 1461 B10R0.86 CCC(SCCCF)C(=O)N 62a_100000750255_100011934791 [0,2,0,0,0,0|1,0,1]=4 1462 B10R0.86 CCC(SCCCF)C(=O)N 62a_100011934791_100000750255 [0,2,0,0,0,0|1,0,1]=4 1463 B10R0.86 CCC(SCCCO)C(=O)N 62a_100000750255_100011215043 [0,2,0,0,0,0|1,0,1]=4 1464 B10R0.86 CCC(SCCCO)C(=O)N 62a_100011215043_100000750255 [0,2,0,0,0,0|1,0,1]=4 1465 B10R0.86 CCC(SCCOC)C(=O)N 62a_100000233755_100000750255 [0,2,0,0,0,0|1,0,1]=4 1466 B10R0.86 CCC(SCCOC)C(=O)N 62a_100000750255_100000233755 [0,2,0,0,0,0|1,0,1]=4 1467 B10R0.86 CCC(SCCSC)C(=O)N 62a_100000212216_100000750255 [0,2,0,0,0,0|1,0,1]=4 1468 B10R0.86 CCC(SCCSC)C(=O)N 62a_100000750255_100000751147 [0,2,0,0,0,0|1,0,1]=4 1469 B10R0.86 CCCCCC(CC)C(=O)C 1458a_100000697129_200000210301 [0,2,0,0,0,0|0,0,2]=4 1470 B10R0.86 CCCCCC(CC)C(=O)[13CH3] 1458a_100000697129_200025704644 [0,2,0,0,0,0|0,0,2]=4 1471 B10R0.86 CCCCNC(CC)C(=O)N 2230a_100000102301_100000750255 [0,2,0,0,0,0|0,0,2]=4 1472 B10R0.86 CCCCNC(CC)C(=O)N 2230a_100000733705_100000210211 [0,2,0,0,0,0|0,0,2]=4 1473 B10R0.86 CCCCNC(CC)C(=O)N 34a_100000733705_100000210210 [0,2,0,0,0,0|0,0,2]=4 1474 B10R0.86 CCCCNC(CC)C(=O)N 7a_106832991798_100000750255 [0,2,0,0,0,0|0,0,2]=4 1475 B10R0.86 CCCCN[C@H](CC)C(=O)O 269956a_100000747097_100000210211 [0,2,0,0,0,0|0,0,2]=4 1476 B10R0.86 CCCCOC(CC)C(=O)N 34a_100000210227_100000750255 [0,2,0,0,0,0|0,0,2]=4 1477 B10R0.86 CCCCOC(CC)C(=O)N 7a_100000210227_100000750255 [0,2,0,0,0,0|0,0,2]=4 1478 B10R0.86 CCCCSC(CC)C(=O)N 62a_100000210211_100000750255 [0,2,0,0,0,0|0,0,2]=4 1479 B10R0.86 CCCCSC(CC)C(=O)N 62a_100000750255_100000210210 [0,2,0,0,0,0|0,0,2]=4 1480 B10R0.86 CCN(CCCCO)C(=O)C 240690a_100011217355_100015343762 [0,2,0,0,0,0|1,0,1]=4 1481 B10R0.86 CCOCN[C@H](CC)C(=O)O 269956a_100000747097_100000739092 [0,2,0,0,0,0|1,0,1]=4 1482 B10R0.86 CCOCSC(CC)C(=O)N 62a_100000739092_100000750255 [0,2,0,0,0,0|1,0,1]=4 1483 B10R0.86 CCOCSC(CC)C(=O)N 62a_100000750255_100000739092 [0,2,0,0,0,0|1,0,1]=4 1484 B10R0.86 CC[C@@H](NCCCF)C(=O)O 269956a_100000747097_100011934791 [0,2,0,0,0,0|1,0,1]=4 1485 B10R0.86 CC[C@@H](NCCCO)C(=O)O 269956a_100000747097_100011215043 [0,2,0,0,0,0|1,0,1]=4 1486 B10R0.86 CC[C@@H](NCCOC)C(=O)O 269956a_100000747097_100000233755 [0,2,0,0,0,0|1,0,1]=4 1487 B10R0.86 CC[C@@H](NCCSC)C(=O)O 269956a_100000747097_100000212216 [0,2,0,0,0,0|1,0,1]=4 1488 B10R0.88 CCCCC(CCC)C(=O)C 1458a_100000070787_100000211913 [0,2,0,0,0,0|0,0,2]=4 1489 B10R0.88 CCCCC(NCC)C(=O)N 2230a_100015525214_100000748834 [0,2,0,0,0,0|0,0,2]=4 1490 B10R0.88 CCCCC(OCC)C(=O)N 34a_100121572206_100000748834 [0,2,0,0,0,0|0,0,2]=4 1491 B10R0.88 CCCCC(SCC)C(=O)N 62a_100000210202_100000748834 [0,2,0,0,0,0|0,0,2]=4 1492 B10R0.88 CCCCC(SCC)C(=O)N 62a_100000748834_100000210202 [0,2,0,0,0,0|0,0,2]=4 1493 B10R0.88 CCCCN(CC=O)C(C)C 2230a_100000207398_200015260668 [0,2,0,0,0,0|1,0,1]=4 1494 B10R0.88 CCCCN(CC=O)C(C)C 269982a_100000207398_200015260668 [0,2,0,0,0,0|1,0,1]=4 1495 B10R0.88 CCCCN(CCC)C(=O)C 11a_200000207744_100015343762 [0,2,0,0,0,0|1,0,1]=4 1496 B10R0.88 CCCCN(CCC)C(=O)C 1626a_200000207744_100015343762 [0,2,0,0,0,0|1,0,1]=4 1497 B10R0.88 CCCCN(CCC)C(=O)C 240690a_200000207744_100015343762 [0,2,0,0,0,0|1,0,1]=4 1498 B10R0.88 CCCCN(CCC)C(=O)C 527a_200000207744_100103153847 [0,2,0,0,0,0|1,0,1]=4 1499 B10R0.88 CCCCN(CCO)C(=O)C 240690a_100000198060_100015343762 [0,2,0,0,0,0|1,0,1]=4 1500 B10R0.88 CCCC[C@H](NCC)C(=O)N 2230a_100000124899_100000210202 [0,2,0,0,0,0|0,0,2]=4 1501 B10R0.88 CCCC[C@H](NCC)C(=O)N 34a_100000124899_100000210202 [0,2,0,0,0,0|0,0,2]=4 1502 B10R0.88 CCCN[C@@H](CCC)C(=O)N 2230a_100000729256_100000210303 [0,2,0,0,0,0|1,0,1]=4 1503 B10R0.88 CCCN[C@@H](CCC)C(=O)N 34a_100000729256_100000210303 [0,2,0,0,0,0|1,0,1]=4 1504 B10R0.88 CCCN[C@@H](CCC)C(=O)O 269956a_100000750406_100000210207 [0,2,0,0,0,0|1,0,1]=4 1505 B10R0.88 CCCN[C@@H](CSC)C(=O)O 269956a_100011421858_100000210207 [0,2,0,0,0,0|1,0,1]=4 1506 B10R0.88 CCCN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100000210207 [0,2,0,0,0,0|1,0,1]=4 1507 B10R0.88 CCCN[C@H](COC)C(=O)O 269956a_100011998655_100000210207 [0,2,0,0,0,0|1,0,1]=4 1508 B10R0.88 CCCOC(CCC)C(=O)N 34a_100011626294_100000210303 [0,2,0,0,0,0|1,0,1]=4 1509 B10R0.88 CCCOC(CCC)C(=O)N 7a_100011626294_100000210303 [0,2,0,0,0,0|1,0,1]=4 1510 B10R0.101 CCC(C(=O)N)C(=O)CCO 1458a_100011216618_100000750255 [0,2,0,0,0,0|1,0,1]=4 1511 B10R0.101 CCC(C(=O)N)C(=O)COC 1458a_100000210968_100000750255 [0,2,0,0,0,0|1,0,1]=4 1512 B10R0.101 CCC(C(=O)N)C(=O)CSC 1458a_100000184570_100000750255 [0,2,0,0,0,0|1,0,1]=4 1513 B10R0.101 CCCC(=O)C(CC)C(=O)N 1458a_100000211992_100000750255 [0,2,0,0,0,0|0,0,1]=3 1514 B10R0.101 CCCN(C)C(CC)C(=O)N 2230a_100000747261_100000750255 [0,2,0,0,0,0|1,0,1]=4 1515 B10R0.101 CCCN(C)C(CC)C(=O)N 269982a_100000747261_100000750255 [0,2,0,0,0,0|1,0,1]=4 1516 B10R0.101 CCCN(C)[C@@H](CC)C(=O)N 2230a_103436537554_100000210303 [0,2,0,0,0,0|1,0,1]=4 1517 B10R0.101 CCCN(C)[C@@H](CC)C(=O)N 269982a_103436537554_100000210303 [0,2,0,0,0,0|1,0,1]=4 1518 B10R0.101 CCOC(=O)C(CC)C(=O)C 1458a_100000070787_100000212269 [0,2,0,0,0,0|1,0,1]=4 1519 B10R0.133 CCCNC(C)(CC)C(=O)O 269956a_100025756313_100000210207 [0,2,0,0,0,0|1,0,1]=4 1520 B10R0.29 CCC(O)CN(CC)CC=O 2230a_100011365200_200015260668 [0,2,0,0,0,0|1,0,1]=4 1521 B10R0.29 CCC(O)CN(CC)CC=O 269982a_100011365200_200015260668 [0,2,0,0,0,0|1,0,1]=4 1522 B10R0.33 CCOC(=O)C(C=O)SCC 62a_100000053139_100000210202 [0,2,0,0,0,0|1,0,1]=4 1523 B10R0.33 CCOC(=O)C(C=O)SCC 62a_100000210202_100000053139 [0,2,0,0,0,0|1,0,1]=4 1524 B10R0.16 CCC/C=C(\CC)/CNCC 269862a_100015525214_100020616858 [0,2,0,0,0,0|1,0,1]=4 1525 B10R0.16 CCC/C=C(\CC)/COCC 34a_200015372368_100000210202 [0,2,0,0,0,0|0,0,2]=4 1526 B10R0.16 CCC/C=C(\CC)/COCC 7a_200015372368_100000210202 [0,2,0,0,0,0|0,0,2]=4 1527 B10R0.16 CCC/C=C(\CC)/COCF 34a_200015372368_100015361967 [0,2,0,0,0,0|0,0,2]=4 1528 B10R0.16 CCC/C=C(\CC)/COCF 7a_200015372368_100015361967 [0,2,0,0,0,0|0,0,2]=4 1529 B10R0.16 CCCCC(CC)OCC=O 34a_100011215227_200009817547 [0,2,0,0,0,0|0,0,2]=4 1530 B10R0.16 CCCCC(CC)OCC=O 7a_100011215227_200015260668 [0,2,0,0,0,0|0,0,2]=4 1531 B10R0.16 CCCCC(CC)SCC=O 62a_200011216223_200015260668 [0,2,0,0,0,0|0,0,2]=4 1532 B10R0.16 CCCCC(CC)SCC=O 62a_200015260668_200011216223 [0,2,0,0,0,0|0,0,2]=4 1533 B10R0.24 C=CC(=NNCCC)CCC 4a_100000740057_200011215120 [0,2,0,0,0,0|2,0,0]=4 1534 B10R0.24 CC=CC(=NNCCC)CC 4a_100000740057_100102568992 [0,2,0,0,0,0|2,0,0]=4 1535 B10R0.24 CCN(CC=O)CCCCO 2230a_100011217355_200015260668 [0,2,0,0,0,0|1,0,1]=4 1536 B10R0.24 CCN(CC=O)CCCCO 269982a_100011217355_200015260668 [0,2,0,0,0,0|1,0,1]=4 1537 B10R0.27 CCN(CC=O)CCC(C)C 2230a_100000207693_200015260668 [0,2,0,0,0,0|1,0,1]=4 1538 B10R0.27 CCN(CC=O)CCC(C)C 269982a_100000207693_200015260668 [0,2,0,0,0,0|1,0,1]=4 1539 B10R0.87 CCCCC(CC)CC(=O)C 1458a_100000070787_100000211942 [0,2,0,0,0,0|0,0,2]=4 1540 B10R0.87 CCCCN(CC)CC(=O)N 2230a_100000207695_100000747473 [0,2,0,0,0,0|1,0,1]=4 1541 B10R0.87 CCCCN(CC)CC(=O)N 269982a_100000207695_100000187820 [0,2,0,0,0,0|1,0,1]=4 1542 B10R0.87 CCCCN(CC)CC(=O)O 269956a_100000746405_100000210211 [0,2,0,0,0,0|1,0,1]=4 1543 B10R0.87 CCCCN(CC)CC(=O)[O-] 269982a_100000207695_100020667443 [0,2,0,0,0,0|1,0,1]=4 1544 B10R0.87 CCCN[C@H](CC)CC(=O)O 269956a_100016995926_100000210207 [0,2,0,0,0,0|1,0,1]=4 1545 B10R0.90 CCCCN(CC=O)CCC 2230a_200000207744_200015260668 [0,2,0,0,0,0|1,0,1]=4 1546 B10R0.90 CCCCN(CC=O)CCC 269982a_200000207744_200015260668 [0,2,0,0,0,0|1,0,1]=4 1547 B10R0.90 CCCCN(CC=O)CCO 2230a_100000198060_200015260668 [0,2,0,0,0,0|1,0,1]=4 1548 B10R0.90 CCCCN(CC=O)CCO 269982a_100000198060_200015260668 [0,2,0,0,0,0|1,0,1]=4 1549 B10R0.45 C=CC(=NNC(C)CC)CC 4a_100000718999_100000747743 [0,2,0,0,0,0|2,0,0]=4 1550 B10R0.41 C=CC(=NNCCCC)CC 4a_100025702795_100000747743 [0,2,0,0,0,0|1,0,1]=4 1551 B10R0.77 C=CC(=NNCC(C)O)CC 4a_200000730056_100000747743 [0,2,0,0,0,0|2,0,0]=4 1552 B8R1.1 COC1CCC(=O)C1 34a_100012614533_200000210301 [1,0,0,1,0,0|1,0,1]=4 1553 B8R1.1 [13CH3]OC1CCC(=O)C1 34a_100012614533_200025704644 [1,0,0,1,0,0|1,0,1]=4 1554 B8R1.3 C=C1CCN(CC1)C 2230a_100000752442_200000210301 [1,0,0,1,0,0|1,0,1]=4 1555 B8R1.3 C=C1CCN(CC1)C 269982a_100000752442_200000210301 [1,0,0,1,0,0|1,0,1]=4 1556 B8R1.3 C=C1CCN(CC1)C 34a_100000752442_200000210301 [1,0,0,1,0,0|1,0,1]=4 1557 B8R1.3 C=C1CCN(CC1)[13CH3] 2230a_100000752442_200025704644 [1,0,0,1,0,0|1,0,1]=4 1558 B8R1.3 C=C1CCN(CC1)[13CH3] 269982a_100000752442_200025704644 [1,0,0,1,0,0|1,0,1]=4 1559 B8R1.3 C=C1CCN(CC1)[13CH3] 34a_100000752442_200025704644 [1,0,0,1,0,0|1,0,1]=4 1560 B8R1.3 CC1=CCN(CC1)C 2230a_100000693516_200000210301 [1,0,0,1,0,0|1,0,1]=4 1561 B8R1.3 CC1=CCN(CC1)C 269982a_100000693516_200000210301 [1,0,0,1,0,0|1,0,1]=4 1562 B8R1.3 CC1=CCN(CC1)C 34a_100000693516_200000210301 [1,0,0,1,0,0|1,0,1]=4 1563 B8R1.3 CC1=CCN(CC1)[13CH3] 2230a_100000693516_200025704644 [1,0,0,1,0,0|1,0,1]=4 1564 B8R1.3 CC1=CCN(CC1)[13CH3] 269982a_100000693516_200025704644 [1,0,0,1,0,0|1,0,1]=4 1565 B8R1.3 CC1=CCN(CC1)[13CH3] 34a_100000693516_200025704644 [1,0,0,1,0,0|1,0,1]=4 1566 B8R1.13 CCOC1CCC1=O 34a_100121572206_100009892977 [1,0,0,1,0,0|1,0,1]=4 1567 B8R1.13 CCSC1CCC1=O 62a_100000210202_100009892977 [1,0,0,1,0,0|1,0,1]=4 1568 B8R1.13 CCSC1CCC1=O 62a_100009892977_100000210202 [1,0,0,1,0,0|1,0,1]=4 1569 B8R1.38 CCC(=O)C1CCC1 1458a_100000209988_100000210202 [1,0,0,1,0,0|0,0,1]=3 1570 B8R1.38 CCC(=O)C1CCC1 1458a_100000210414_100000749161 [1,0,0,1,0,0|0,0,1]=3 1571 B8R1.38 CCC(=O)C1CCO1 1458a_100000089072_100000210202 [1,0,0,1,0,0|1,0,1]=4 1572 B8R1.38 CCC(=O)C1COC1 1458a_100000210414_100000687716 [1,0,0,1,0,0|1,0,1]=4 1573 B8R1.38 CCC(=O)C1COC1 1458a_100000758290_100000210202 [1,0,0,1,0,0|1,0,1]=4 1574 B8R1.38 CCC(=O)N1CCC1 11a_100000754969_100000210414 [1,0,0,1,0,0|1,0,0]=3 1575 B8R1.38 CCC(=O)N1CCC1 240690a_100000754969_100000210414 [1,0,0,1,0,0|1,0,0]=3 1576 B8R1.38 CCC(=O)N1CCC1 527a_100000754969_100000210414 [1,0,0,1,0,0|1,0,0]=3 1577 B8R1.38 CNC(=O)C1CCC1 11a_106832991635_100000209988 [1,0,0,1,0,0|1,0,1]=4 1578 B8R1.38 CNC(=O)C1CCC1 1626a_100102657272_100000209988 [1,0,0,1,0,0|1,0,1]=4 1579 B8R1.38 CNC(=O)C1CCC1 240690a_100102657272_100000209988 [1,0,0,1,0,0|1,0,1]=4 1580 B8R1.38 CNC(=O)C1CCC1 527a_100102657272_100000209988 [1,0,0,1,0,0|1,0,1]=4 1581 B8R1.38 CNC(=O)N1CCC1 2708a_100102657272_100000754969 [1,0,0,1,0,0|2,0,0]=4 1582 B8R1.38 CNC(=O)N1CCC1 273464a_100102657272_100000754969 [1,0,0,1,0,0|2,0,0]=4 1583 B8R1.38 O=C(CF)C1CCC1 1458a_100000209988_100015361967 [1,0,0,1,0,0|1,0,1]=4 1584 B8R1.38 O=C(CO)C1CCC1 1458a_100000210174_100000749161 [1,0,0,1,0,0|1,0,1]=4 1585 B8R1.38 O=C(CO)N1CCC1 240690a_100000754969_100000210174 [1,0,0,1,0,0|2,0,0]=4 1586 B8R1.38 O=C(CO)N1CCC1 527a_100000754969_100000210174 [1,0,0,1,0,0|2,0,0]=4 1587 B8R1.40 CCC(=O)CC1CC1 1458a_100000210414_100000742324 [1,0,0,1,0,0|0,0,1]=3 1588 B8R1.40 CCC(=O)CC1CC1 1458a_100000738066_100000210202 [1,0,0,1,0,0|0,0,1]=3 1589 B8R1.40 CCC(=O)CC1CO1 1458a_100000210414_100011216344 [1,0,0,1,0,0|1,0,1]=4 1590 B8R1.40 CCC(=O)CC1CS1 1458a_100000210414_100000031435 [1,0,0,1,0,0|1,0,1]=4 1591 B8R1.40 CCC(=O)C[C@@H]1CO1 1458a_100000210414_100000745022 [1,0,0,1,0,0|1,0,1]=4 1592 B8R1.40 CCC(=O)NC1CC1 1626a_100000212008_100000210414 [1,0,0,1,0,0|1,0,0]=3 1593 B8R1.40 CCC(=O)NC1CC1 240690a_100000212008_100000210414 [1,0,0,1,0,0|1,0,0]=3 1594 B8R1.40 CCC(=O)NC1CC1 527a_100000212008_100000210414 [1,0,0,1,0,0|1,0,0]=3 1595 B8R1.40 CNC(=O)CC1CC1 11a_106832991635_100000738066 [1,0,0,1,0,0|1,0,1]=4 1596 B8R1.40 CNC(=O)CC1CC1 1626a_100102657272_100000738066 [1,0,0,1,0,0|1,0,1]=4 1597 B8R1.40 CNC(=O)CC1CC1 240690a_100102657272_100000738066 [1,0,0,1,0,0|1,0,1]=4 1598 B8R1.40 CNC(=O)CC1CC1 527a_100102657272_100000738066 [1,0,0,1,0,0|1,0,1]=4 1599 B8R1.40 CNC(=O)NC1CC1 2708a_100000212008_106832991635 [1,0,0,1,0,0|2,0,0]=4 1600 B8R1.40 CNC(=O)NC1CC1 2708a_100102657272_100000212008 [1,0,0,1,0,0|2,0,0]=4 1601 B8R1.40 CNC(=O)NC1CC1 273464a_100000212008_100102657272 [1,0,0,1,0,0|2,0,0]=4 1602 B8R1.40 CNC(=O)NC1CC1 273464a_100102657272_100000212008 [1,0,0,1,0,0|2,0,0]=4 1603 B8R1.40 CNC(=O)NC1CC1 512a_100000212008_100102657272 [1,0,0,1,0,0|2,0,0]=4 1604 B8R1.40 O=C(CF)CC1CC1 1458a_100000738066_100015361967 [1,0,0,1,0,0|1,0,1]=4 1605 B8R1.40 O=C(CO)CC1CC1 1458a_100000210174_100000742324 [1,0,0,1,0,0|1,0,1]=4 1606 B8R1.40 O=C(CO)NC1CC1 240690a_100000212008_100000210174 [1,0,0,1,0,0|2,0,0]=4 1607 B8R1.40 O=C(CO)NC1CC1 527a_100000212008_100000210174 [1,0,0,1,0,0|2,0,0]=4 1608 B8R1.83 CC1CC1C(=O)CF 1458a_100000211227_100015361967 [1,0,0,1,0,0|1,0,1]=4 1609 B8R1.83 CCC(=O)C1CC1C 1458a_100000211227_100000210202 [1,0,0,1,0,0|0,0,1]=3 1610 B8R1.83 CCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000210202 [1,0,0,1,0,0|1,0,1]=4 1611 B8R1.83 CNC(=O)C1CC1C 11a_106832991635_100000211227 [1,0,0,1,0,0|1,0,1]=4 1612 B8R1.83 CNC(=O)C1CC1C 1626a_100102657272_100000211227 [1,0,0,1,0,0|1,0,1]=4 1613 B8R1.83 CNC(=O)C1CC1C 527a_100102657272_100000211227 [1,0,0,1,0,0|1,0,1]=4 1614 B8R1.11 CNC1CCCC1=O 2230a_106832991635_100000211823 [1,0,0,1,0,0|1,0,1]=4 1615 B8R1.11 CNC1CCCC1=O 34a_100102657272_100000709159 [1,0,0,1,0,0|1,0,1]=4 1616 B8R1.11 CNC1CCCC1=O 7a_106832991635_100000211823 [1,0,0,1,0,0|1,0,1]=4 1617 B8R1.11 COC1CCCC1=O 34a_100138415774_100000709159 [1,0,0,1,0,0|1,0,1]=4 1618 B8R1.11 COC1CCCC1=O 34a_200000719330_200000210301 [1,0,0,1,0,0|1,0,1]=4 1619 B8R1.11 CSC1CCCC1=O 62a_100000211823_200000210301 [1,0,0,1,0,0|1,0,1]=4 1620 B8R1.11 CSC1CCCC1=O 62a_200000210301_100000211823 [1,0,0,1,0,0|1,0,1]=4 1621 B8R1.11 [13CH3]OC1CCCC1=O 34a_200000719330_200025704644 [1,0,0,1,0,0|1,0,1]=4 1622 B8R1.11 [13CH3]SC1CCCC1=O 62a_100000211823_200025704644 [1,0,0,1,0,0|1,0,1]=4 1623 B8R1.11 [13CH3]SC1CCCC1=O 62a_200025704644_100000211823 [1,0,0,1,0,0|1,0,1]=4 1624 B10R1.13 CC(=O)C1CCC(CC1)C 1458a_100000070787_200011216234 [0,1,0,1,0,0|0,0,2]=4 1625 B10R1.13 CC(=O)N1CCC(CC1)C 240690a_100000188429_100015343762 [0,1,0,1,0,0|1,0,1]=4 1626 B10R1.13 CC(=O)N1CCC(CC1)C 527a_100000188429_100103153847 [0,1,0,1,0,0|1,0,1]=4 1627 B10R1.13 CC(=O)[C@H]1CC[C@@H](CC1)C 1458a_100009815934_200000210301 [0,1,0,1,0,0|0,0,2]=4 1628 B10R1.13 C[C@H]1CC[C@@H](CC1)C(=O)[13CH3] 1458a_100009815934_200025704644 [0,1,0,1,0,0|0,0,2]=4 1629 B10R1.29 CCCNC1CCNC1=O 2230a_100016995588_100000210303 [0,1,0,1,0,0|1,0,1]=4 1630 B10R1.29 CCCNC1CCNC1=O 34a_100016995588_100000210303 [0,1,0,1,0,0|1,0,1]=4 1631 B10R1.29 CCCOC1CCCC1=O 34a_100000210258_100000709159 [0,1,0,1,0,0|1,0,1]=4 1632 B10R1.29 CCCOC1CCCC1=O 34a_200000719330_100000210303 [0,1,0,1,0,0|1,0,1]=4 1633 B10R1.29 CCCOC1CCOC1=O 34a_100000210258_100000211211 [0,1,0,1,0,0|1,0,1]=4 1634 B10R1.29 CCCO[C@H]1CCNC1=O 34a_100000688343_100000210303 [0,1,0,1,0,0|1,0,1]=4 1635 B10R1.29 CCCSC1CCCC1=O 62a_100000210303_100000211823 [0,1,0,1,0,0|1,0,1]=4 1636 B10R1.29 CCCSC1CCCC1=O 62a_100000211823_100000210303 [0,1,0,1,0,0|1,0,1]=4 1637 B10R1.29 CCCSC1CCOC1=O 62a_100000210303_100000211211 [0,1,0,1,0,0|1,0,1]=4 1638 B10R1.29 CCCSC1CCOC1=O 62a_100000211211_100000210303 [0,1,0,1,0,0|1,0,1]=4 1639 B10R1.29 CCOCC1=CCCC1=O 34a_100000087531_100000210202 [0,1,0,1,0,0|1,0,1]=4 1640 B10R1.61 CC(=O)C1CCCCC1C 1458a_100011215568_200000210301 [0,1,0,1,0,0|0,0,2]=4 1641 B10R1.61 CC(=O)N1CCCCC1C 11a_100000211376_100015343762 [0,1,0,1,0,0|1,0,1]=4 1642 B10R1.61 CC(=O)N1CCCCC1C 1626a_100000211376_100015343762 [0,1,0,1,0,0|1,0,1]=4 1643 B10R1.61 CC(=O)N1CCCCC1C 240690a_100000211376_100015343762 [0,1,0,1,0,0|1,0,1]=4 1644 B10R1.61 CC(=O)N1CCCCC1C 527a_100000211376_100103153847 [0,1,0,1,0,0|1,0,1]=4 1645 B10R1.61 CC1CCCCC1C(=O)[13CH3] 1458a_100011215568_200025704644 [0,1,0,1,0,0|0,0,2]=4 1646 B10R1.86 CCCN1CCC1C(=O)O 269956a_100000021838_100000210207 [0,1,0,1,0,0|1,0,1]=4 1647 B10R1.219 CCC(C(=O)N)N1CCC1 269982a_100000754969_100000750255 [0,1,0,1,0,0|1,0,1]=4 1648 B10R1.219 CCN(C(=O)C)C1CCC1 11a_100000758130_100015343762 [0,1,0,1,0,0|1,0,1]=4 1649 B10R1.219 CCN(C(=O)C)C1CCC1 1626a_100000758130_100015343762 [0,1,0,1,0,0|1,0,1]=4 1650 B10R1.219 CCN(C(=O)C)C1CCC1 240690a_100000758130_100015343762 [0,1,0,1,0,0|1,0,1]=4 1651 B10R1.219 CCN(C(=O)C)C1CCC1 527a_100000758130_100103153847 [0,1,0,1,0,0|1,0,1]=4 1652 B10R1.348 CC(=O)C1CCCCCC1 1458a_100000070787_100011217769 [0,1,0,1,0,0|0,0,2]=4 1653 B10R1.348 CC(=O)C1CCCCCC1 1458a_100000749507_200000210301 [0,1,0,1,0,0|0,0,2]=4 1654 B10R1.348 CC(=O)N1CCCCCC1 11a_100000185865_100015343762 [0,1,0,1,0,0|1,0,1]=4 1655 B10R1.348 CC(=O)N1CCCCCC1 1626a_100000185865_100015343762 [0,1,0,1,0,0|1,0,1]=4 1656 B10R1.348 CC(=O)N1CCCCCC1 240690a_100000185865_100015343762 [0,1,0,1,0,0|1,0,1]=4 1657 B10R1.348 CC(=O)N1CCCCCC1 527a_100000185865_100103153847 [0,1,0,1,0,0|1,0,1]=4 1658 B10R1.348 [13CH3]C(=O)C1CCCCCC1 1458a_100000749507_200025704644 [0,1,0,1,0,0|0,0,2]=4 1659 B10R1.437 CCCNC1(CC1)C(=O)N 2230a_100000687655_100000210303 [0,1,0,1,0,0|1,0,1]=4 1660 B10R1.437 CCCNC1(CC1)C(=O)O 269956a_100000746478_100000210207 [0,1,0,1,0,0|1,0,1]=4 1661 B10R1.437 CCCOC1(CC1)C(=O)N 34a_100000210258_100010760883 [0,1,0,1,0,0|1,0,1]=4 1662 B10R1.437 CCCSC1(CC1)C(=O)C 62a_100000086384_100000210303 [0,1,0,1,0,0|1,0,1]=4 1663 B10R1.437 CCCSC1(CC1)C(=O)C 62a_100000210303_100000086384 [0,1,0,1,0,0|1,0,1]=4 1664 B10R1.437 CCCSC1(CC1)C(=O)N 62a_100000210303_100010760883 [0,1,0,1,0,0|1,0,1]=4 1665 B10R1.437 CCCSC1(CC1)C(=O)N 62a_100010760883_100000210303 [0,1,0,1,0,0|1,0,1]=4 1666 B10R1.469 CCC(NC1CC1)C(=O)N 34a_100000212008_100000750255 [0,1,0,1,0,0|1,0,1]=4 1667 B10R1.469 CCC(NC1CC1)C(=O)N 34a_100000733705_100000211595 [0,1,0,1,0,0|1,0,1]=4 1668 B10R1.469 CCC(SC1CC1)C(=O)N 62a_100000750255_100000211595 [0,1,0,1,0,0|1,0,1]=4 1669 B10R1.469 CC[C@@H](NC1CC1)C(=O)O 269956a_100000747097_100000211595 [0,1,0,1,0,0|1,0,1]=4 1670 B10R1.463 CCC(C)OC1CCC1=O 7a_100000210228_100009892977 [0,1,0,1,0,0|1,0,1]=4 1671 B10R1.463 CCC(C)SC1CCC1=O 62a_100000758301_100009892977 [0,1,0,1,0,0|1,0,1]=4 1672 B10R1.463 CCC(C)SC1CCC1=O 62a_100009892977_100000758301 [0,1,0,1,0,0|1,0,1]=4 1673 B10R1.5 CCSc1cscc1CC 62a_100000210202_100011068457 [0,1,0,1,0,0|1,1,0]=4 1674 B10R1.5 CCSc1cscc1CC 62a_100011068457_100000210202 [0,1,0,1,0,0|1,1,0]=4 1675 B10R1.5 CCSc1sccc1CC 62a_100000210202_200009875468 [0,1,0,1,0,0|1,1,0]=4 1676 B10R1.5 CCSc1sccc1CC 62a_200009875468_100000210202 [0,1,0,1,0,0|1,1,0]=4 1677 B10R1.11 CCCC(=O)C1=CCCC1 1458a_100000038896_100000210303 [0,1,0,1,0,0|1,0,0]=3 1678 B10R1.11 CCCC(=O)C1=CCOC1 1458a_100000139269_100000210303 [0,1,0,1,0,0|2,0,0]=4 1679 B10R1.11 CCCC(=O)C1=COCC1 1458a_100000750620_100000210303 [0,1,0,1,0,0|0,0,1]=3 1680 B10R1.11 CCNC(=O)C1=CCCC1 11a_100015525214_100000038896 [0,1,0,1,0,0|2,0,0]=4 1681 B10R1.11 CCNC(=O)C1=CCCC1 240690a_100015525214_100000038896 [0,1,0,1,0,0|2,0,0]=4 1682 B10R1.11 CCNC(=O)C1=COCC1 240690a_100015525214_100000750620 [0,1,0,1,0,0|1,0,1]=4 1683 B10R1.11 O=C(CCF)C1=CCCC1 1458a_100000038896_100011217306 [0,1,0,1,0,0|2,0,0]=4 1684 B10R1.11 O=C(CCF)C1=COCC1 1458a_100000750620_100011217306 [0,1,0,1,0,0|1,0,1]=4 1685 B10R1.11 O=C(CCO)C1=CCCC1 1458a_100000038896_100000211926 [0,1,0,1,0,0|2,0,0]=4 1686 B10R1.11 O=C(CCO)C1=COCC1 1458a_100000750620_100000211926 [0,1,0,1,0,0|1,0,1]=4 1687 B10R1.139 CCCC(=O)C1CCC1=O 1458a_100000211992_100009892977 [0,1,0,1,0,0|0,0,1]=3 1688 B10R1.139 CCCN(C)C1CCC1=O 269982a_100000747261_100009892977 [0,1,0,1,0,0|1,0,1]=4 1689 B10R1.139 COCC(=O)C1CCC1=O 1458a_100000210968_100009892977 [0,1,0,1,0,0|1,0,1]=4 1690 B10R1.139 CSCC(=O)C1CCC1=O 1458a_100000184570_100009892977 [0,1,0,1,0,0|1,0,1]=4 1691 B10R1.139 O=C(CCO)C1CCC1=O 1458a_100011216618_100009892977 [0,1,0,1,0,0|1,0,1]=4 1692 B10R1.245 CNC1C(=O)CCCC1=O 2230a_106832991635_100009814513 [0,1,0,1,0,0|1,0,1]=4 1693 B10R1.245 CNC1C(=O)CCCC1=O 7a_106832991635_100009814513 [0,1,0,1,0,0|1,0,1]=4 1694 B10R1.245 CSC1C(=O)CCCC1=O 62a_100009814513_200000210301 [0,1,0,1,0,0|1,0,1]=4 1695 B10R1.245 CSC1C(=O)CCCC1=O 62a_200000210301_100009814513 [0,1,0,1,0,0|1,0,1]=4 1696 B10R1.245 [13CH3]SC1C(=O)CCCC1=O 62a_100009814513_200025704644 [0,1,0,1,0,0|1,0,1]=4 1697 B10R1.245 [13CH3]SC1C(=O)CCCC1=O 62a_200025704644_100009814513 [0,1,0,1,0,0|1,0,1]=4 1698 B10R1.1 CC1CCN(CC1)CC=O 2230a_100000188429_200015260668 [0,1,0,1,0,0|1,0,1]=4 1699 B10R1.1 CC1CCN(CC1)CC=O 269982a_100000188429_200015260668 [0,1,0,1,0,0|1,0,1]=4 1700 B10R1.1 CC1CCN(CC1)CC=O 34a_100000188429_200009817547 [0,1,0,1,0,0|1,0,1]=4 1701 B10R1.4 CC1CCCCN1CC=O 2230a_100000211376_200015260668 [0,1,0,1,0,0|1,0,1]=4 1702 B10R1.4 CC1CCCCN1CC=O 269982a_100000211376_200015260668 [0,1,0,1,0,0|1,0,1]=4 1703 B10R1.4 CC1CCCCN1CC=O 34a_100000211376_200009817547 [0,1,0,1,0,0|1,0,1]=4 1704 B10R1.4 CCOC1CCCCC1=O 34a_100011214950_100000210202 [0,1,0,1,0,0|0,0,2]=4 1705 B10R1.4 CCOC1CCCCC1=O 34a_100121572206_100000754470 [0,1,0,1,0,0|0,0,2]=4 1706 B10R1.4 CCSC1CCCCC1=O 62a_100000204591_100000210202 [0,1,0,1,0,0|0,0,2]=4 1707 B10R1.4 CCSC1CCCCC1=O 62a_100000210202_100000204591 [0,1,0,1,0,0|0,0,2]=4 1708 B10R1.4 COCC1CCCCC1=O 34a_100009861125_200000210301 [0,1,0,1,0,0|0,0,2]=4 1709 B10R1.4 COCC1CCCCC1=O 7a_100009861125_200000210301 [0,1,0,1,0,0|0,0,2]=4 1710 B10R1.4 [13CH3]OCC1CCCCC1=O 34a_100009861125_200025704644 [0,1,0,1,0,0|0,0,2]=4 1711 B10R1.4 [13CH3]OCC1CCCCC1=O 7a_100009861125_200025704644 [0,1,0,1,0,0|0,0,2]=4 1712 B10R1.16 CCCOC1CCC(=O)C1 34a_100012614533_100000210303 [0,1,0,1,0,0|1,0,1]=4 1713 B10R1.67 CCN(CC=O)C1CCC1 2230a_100000758130_200015260668 [0,1,0,1,0,0|1,0,1]=4 1714 B10R1.67 CCN(CC=O)C1CCC1 269982a_100000758130_200015260668 [0,1,0,1,0,0|1,0,1]=4 1715 B10R1.85 O=CCN1CCCCCC1 2230a_100000185865_200015260668 [0,1,0,1,0,0|1,0,1]=4 1716 B10R1.85 O=CCN1CCCCCC1 269982a_100000185865_200015260668 [0,1,0,1,0,0|1,0,1]=4 1717 B10R1.85 O=CCN1CCCCCC1 34a_100000185865_200009817547 [0,1,0,1,0,0|1,0,1]=4 1718 B10R1.96 CCCc1ccc(s1)SC 62a_100010157708_200000210301 [0,1,0,1,0,0|2,0,0]=4 1719 B10R1.96 CCCc1ccc(s1)SC 62a_200000210301_100010157708 [0,1,0,1,0,0|2,0,0]=4 1720 B10R1.96 CCCc1ccc(s1)S[13CH3] 62a_100010157708_200025704644 [0,1,0,1,0,0|2,0,0]=4 1721 B10R1.96 CCCc1ccc(s1)S[13CH3] 62a_200025704644_100010157708 [0,1,0,1,0,0|2,0,0]=4 1722 B10R1.96 CCCc1nc(no1)CC 270196a_200000212204_100000211992 [0,1,0,1,0,0|1,0,1]=4 1723 B10R1.96 CCCc1ncc([nH]1)SC 62a_200000210301_200009820212 [0,1,0,1,0,0|2,0,0]=4 1724 B10R1.96 CCCc1ncc([nH]1)SC 62a_200009820212_200000210301 [0,1,0,1,0,0|2,0,0]=4 1725 B10R1.96 CCCc1ncc([nH]1)S[13CH3] 62a_200009820212_200025704644 [0,1,0,1,0,0|2,0,0]=4 1726 B10R1.96 CCCc1ncc([nH]1)S[13CH3] 62a_200025704644_200009820212 [0,1,0,1,0,0|2,0,0]=4 1727 B10R1.96 CCCc1noc(n1)CC 270196a_100011193412_100000210414 [0,1,0,1,0,0|2,0,0]=4 1728 B10R1.96 CCCn1cc(cn1)SC 62a_100011400188_200000210301 [0,1,0,1,0,0|2,0,0]=4 1729 B10R1.96 CCCn1cc(cn1)SC 62a_200000210301_100011400188 [0,1,0,1,0,0|2,0,0]=4 1730 B10R1.96 CCCn1cc(cn1)S[13CH3] 62a_100011400188_200025704644 [0,1,0,1,0,0|2,0,0]=4 1731 B10R1.96 CCCn1cc(cn1)S[13CH3] 62a_200025704644_100011400188 [0,1,0,1,0,0|2,0,0]=4 1732 B10R1.96 CCOc1cnn(c1)CC 34a_100000708037_100000210202 [0,1,0,1,0,0|2,0,0]=4 1733 B10R1.96 CCSc1ccc(s1)CC 62a_100000210202_100009844052 [0,1,0,1,0,0|2,0,0]=4 1734 B10R1.96 CCSc1ccc(s1)CC 62a_100009844052_100000210202 [0,1,0,1,0,0|2,0,0]=4 1735 B10R1.96 CCSc1cnn(c1)CC 62a_100000210202_100011400201 [0,1,0,1,0,0|2,0,0]=4 1736 B10R1.96 CCSc1cnn(c1)CC 62a_100011400201_100000210202 [0,1,0,1,0,0|2,0,0]=4 1737 B10R1.96 CCSc1csc(c1)CC 62a_100000210202_100009846239 [0,1,0,1,0,0|0,1,1]=4 1738 B10R1.96 CCSc1csc(c1)CC 62a_100009846239_100000210202 [0,1,0,1,0,0|0,1,1]=4 1739 B10R1.96 CCc1ccc(o1)CNC 207a_100102657272_100000743199 [0,1,0,1,0,0|2,0,0]=4 1740 B10R1.96 CCc1ccc(o1)CNC 270004a_106832991635_100000743199 [0,1,0,1,0,0|2,0,0]=4 1741 B10R1.96 CCc1ccc(s1)CNC 207a_100102657272_100000746206 [0,1,0,1,0,0|2,0,0]=4 1742 B10R1.96 CCc1ccc(s1)CNC 270004a_106832991635_100000746206 [0,1,0,1,0,0|2,0,0]=4 1743 B10R1.96 CCc1csc(n1)CNC 2230a_100011595562_200000210301 [0,1,0,1,0,0|1,1,0]=4 1744 B10R1.96 CCc1csc(n1)CN[13CH3] 2230a_100011595562_200025704644 [0,1,0,1,0,0|1,1,0]=4 1745 B10R1.96 CCn1cc(cn1)CNC 207a_100102657272_100000748207 [0,1,0,1,0,0|2,0,0]=4 1746 B10R1.96 CCn1cc(cn1)CNC 2230a_100000705150_200000210301 [0,1,0,1,0,0|2,0,0]=4 1747 B10R1.96 CCn1cc(cn1)CNC 270004a_106832991635_100000748207 [0,1,0,1,0,0|2,0,0]=4 1748 B10R1.96 CCn1cc(cn1)CNC 34a_100000705150_200000210301 [0,1,0,1,0,0|2,0,0]=4 1749 B10R1.96 CCn1cc(cn1)CN[13CH3] 2230a_100000705150_200025704644 [0,1,0,1,0,0|2,0,0]=4 1750 B10R1.96 CCn1cc(cn1)CN[13CH3] 34a_100000705150_200025704644 [0,1,0,1,0,0|2,0,0]=4 1751 B10R1.96 CCn1cc(cn1)COC 34a_100011614501_200000210301 [0,1,0,1,0,0|2,0,0]=4 1752 B10R1.96 CCn1cc(cn1)CO[13CH3] 34a_100011614501_200025704644 [0,1,0,1,0,0|2,0,0]=4 1753 B10R1.117 CC(Br)COC1CCC1=O 34a_100012180447_100009892977 [0,1,0,1,0,0|1,0,1]=4 1754 B10R1.117 CC(C)CNC1CCC1=O 34a_100000210953_100009892977 [0,1,0,1,0,0|1,0,1]=4 1755 B10R1.117 CC(C)COC1CCC1=O 34a_100000210257_100009892977 [0,1,0,1,0,0|1,0,1]=4 1756 B10R1.117 CC(C)CSC1CCC1=O 62a_100000210624_100009892977 [0,1,0,1,0,0|1,0,1]=4 1757 B10R1.117 CC(C)CSC1CCC1=O 62a_100009892977_100000210760 [0,1,0,1,0,0|1,0,1]=4 1758 B10R1.117 CC(F)COC1CCC1=O 34a_100015925927_100009892977 [0,1,0,1,0,0|1,0,1]=4 1759 B10R1.117 CC(O)CNC1CCC1=O 34a_100000210904_100009892977 [0,1,0,1,0,0|1,0,1]=4 1760 B10R1.117 CC(O)CSC1CCC1=O 62a_100009892977_100011218427 [0,1,0,1,0,0|1,0,1]=4 1761 B10R1.117 CC(O)CSC1CCC1=O 62a_100011218427_100009892977 [0,1,0,1,0,0|1,0,1]=4 1762 B10R1.117 C[C@@H](Cl)COC1CCC1=O 34a_100016084084_100009892977 [0,1,0,1,0,0|1,0,1]=4 1763 B10R1.117 C[C@@H](N)COC1CCC1=O 34a_100000737577_100009892977 [0,1,0,1,0,0|1,0,1]=4 1764 B10R1.117 C[C@@H](O)CSC1CCC1=O 62a_100009817552_100009892977 [0,1,0,1,0,0|1,0,1]=4 1765 B10R1.117 C[C@@H](O)CSC1CCC1=O 62a_100009892977_100009817552 [0,1,0,1,0,0|1,0,1]=4 1766 B10R1.123 C=CC(=NNC1CC1)CC 4a_100000701032_100000747743 [0,1,0,1,0,0|2,0,0]=4 1767 B10R1.21 CCCNN=C1C=CCC1 4a_100000740057_100000239507 [0,1,0,1,0,0|2,0,0]=4 1768 B10R1.21 CCNN=CC1=CCCC1 4a_100000756455_100000702379 [0,1,0,1,0,0|2,0,0]=4 1769 B10R1.37 CCCCNC1CCC1=O 7a_106832991798_100009892977 [0,1,0,1,0,0|0,0,2]=4 1770 B10R1.37 CCCCOC1CCC1=O 34a_100000210227_100009892977 [0,1,0,1,0,0|0,0,2]=4 1771 B10R1.37 CCCCOC1CCC1=O 7a_100000210227_100009892977 [0,1,0,1,0,0|0,0,2]=4 1772 B10R1.37 CCCCSC1CCC1=O 62a_100000210211_100009892977 [0,1,0,1,0,0|0,0,2]=4 1773 B10R1.37 CCCCSC1CCC1=O 62a_100009892977_100000210210 [0,1,0,1,0,0|0,0,2]=4 1774 B10R1.37 CCNCCC1CCC1=O 2230a_100015525214_200016118888 [0,1,0,1,0,0|0,0,2]=4 1775 B10R1.37 CCOCSC1CCC1=O 62a_100000739092_100009892977 [0,1,0,1,0,0|1,0,1]=4 1776 B10R1.37 CCOCSC1CCC1=O 62a_100009892977_100000739092 [0,1,0,1,0,0|1,0,1]=4 1777 B10R1.37 CCSCCC1CCC1=O 62a_100000210202_200016118888 [0,1,0,1,0,0|0,0,2]=4 1778 B10R1.37 CCSCCC1CCC1=O 62a_200016118888_100000210202 [0,1,0,1,0,0|0,0,2]=4 1779 B10R1.37 COCCOC1CCC1=O 34a_100000210237_100009892977 [0,1,0,1,0,0|1,0,1]=4 1780 B10R1.37 COCCSC1CCC1=O 62a_100000233755_100009892977 [0,1,0,1,0,0|1,0,1]=4 1781 B10R1.37 COCCSC1CCC1=O 62a_100009892977_100000233755 [0,1,0,1,0,0|1,0,1]=4 1782 B10R1.37 CSCCOC1CCC1=O 34a_100000230434_100009892977 [0,1,0,1,0,0|1,0,1]=4 1783 B10R1.37 CSCCOC1CCC1=O 7a_100000230434_100009892977 [0,1,0,1,0,0|1,0,1]=4 1784 B10R1.37 CSCCSC1CCC1=O 62a_100000212216_100009892977 [0,1,0,1,0,0|1,0,1]=4 1785 B10R1.37 CSCCSC1CCC1=O 62a_100009892977_100000751147 [0,1,0,1,0,0|1,0,1]=4 1786 B10R1.37 NCCCOC1CCC1=O 34a_100000182051_100009892977 [0,1,0,1,0,0|1,0,1]=4 1787 B10R1.37 O=C1CCC1NCCCF 34a_100015189416_100009892977 [0,1,0,1,0,0|1,0,1]=4 1788 B10R1.37 O=C1CCC1OCCCBr 34a_100011217188_100009892977 [0,1,0,1,0,0|1,0,1]=4 1789 B10R1.37 O=C1CCC1OCCCCl 34a_100000230001_100009892977 [0,1,0,1,0,0|1,0,1]=4 1790 B10R1.37 O=C1CCC1OCCCF 34a_100000759539_100009892977 [0,1,0,1,0,0|1,0,1]=4 1791 B10R1.37 O=C1CCC1SCCCF 62a_100009892977_100011934791 [0,1,0,1,0,0|1,0,1]=4 1792 B10R1.37 O=C1CCC1SCCCF 62a_100011934791_100009892977 [0,1,0,1,0,0|1,0,1]=4 1793 B10R1.37 O=C1CCC1SCCCO 62a_100009892977_100011215043 [0,1,0,1,0,0|1,0,1]=4 1794 B10R1.37 O=C1CCC1SCCCO 62a_100011215043_100009892977 [0,1,0,1,0,0|1,0,1]=4 1795 B10R2.27 O=C1CCC1NC2CC2 34a_100000212008_100009892977 [0,0,0,2,0,0|1,0,1]=4 1796 B10R2.27 O=C1CCC1SC2CC2 62a_100009892977_100000211595 [0,0,0,2,0,0|1,0,1]=4 1797 B10R2.324 O=C1CCC1N2CCC2 269982a_100000754969_100009892977 [0,0,0,2,0,0|1,0,1]=4