0 B9R1.132 Cc1n[nH]c(c1O)CO 271570a_203496583355_100015664438 [0,0,0,0,0,0|4,0,0]=4 1 B8R1.1 CCN1CNC(=O)C1 2230a_200000708111_100000210202 [1,0,0,0,0,0|2,0,1]=4 2 B8R1.1 CCc1cc(cs1)O 271570a_203496583355_100009846239 [1,0,0,0,0,0|1,0,2]=4 3 B8R1.1 COC1CCC(=O)C1 34a_100012614533_200000210301 [1,0,0,0,0,0|1,0,2]=4 4 B8R1.1 [13CH3]OC1CCC(=O)C1 34a_100012614533_200025704644 [1,0,0,0,0,0|1,0,2]=4 5 B8R1.11 CCc1ccsc1O 271570a_203496583355_200009875468 [1,0,0,0,0,0|1,0,2]=4 6 B8R1.11 CCc1cscc1O 271570a_203496583355_100011068457 [1,0,0,0,0,0|1,0,1]=3 7 B8R1.11 CCn1nccc1O 271570a_203496583355_100000728327 [1,0,0,0,0,0|2,0,1]=4 8 B8R1.11 COc1n[nH]cc1O 271570a_203496583355_100010982843 [1,0,0,0,0,0|3,0,0]=4 9 B8R1.11 CSc1sccc1O 271570a_203496583355_200010341309 [1,0,0,0,0,0|2,0,1]=4 10 B8R1.11 OCc1cscc1O 271570a_203496583355_100000724555 [1,0,0,0,0,0|2,0,1]=4 11 B8R1.11 OCc1sccc1O 271570a_203496583355_100000702026 [1,0,0,0,0,0|2,0,1]=4 12 B8R1.50 Cc1[nH][nH]c(=O)c1O 271570a_203496583355_100000686169 [1,0,0,0,0,0|2,0,0]=3 13 B8R1.50 Cc1n[nH]c(c1O)C 271570a_203496583355_100000238710 [1,0,0,0,0,0|3,0,0]=4 14 B8R1.50 Cc1n[nH]c(c1O)N 271570a_203496583355_100000182022 [1,0,0,0,0,0|3,0,0]=4 15 B8R1.50 Cc1noc(c1O)C 271570a_203496583355_100000694658 [1,0,0,0,0,0|3,0,0]=4 16 B8R1.50 Cc1noc(c1O)N 271570a_203496583355_100000754107 [1,0,0,0,0,0|3,0,0]=4 17 B8R1.50 Cc1nsc(c1O)N 271570a_203496583355_100000701153 [1,0,0,0,0,0|3,0,0]=4 18 B8R1.50 Cc1onc(c1O)N 271570a_203496583355_100011216220 [1,0,0,0,0,0|3,0,0]=4 19 B8R1.50 Cc1onc(c1O)O 271570a_203496583355_100010730664 [1,0,0,0,0,0|2,0,1]=4 20 B8R0.2 C=C(C)C(=O)C(C)CC 1458a_100000185857_100000758301 [0,0,1,0,0,0|1,0,2]=4 21 B8R0.2 C=C(C)C(=O)N(C)CC 11a_100000225621_100000185857 [0,0,1,0,0,0|2,0,1]=4 22 B8R0.2 C=C(C)C(=O)N(C)CC 1626a_100000225621_100000185857 [0,0,1,0,0,0|2,0,1]=4 23 B8R0.2 CCC(=O)C(C)C(=O)C 1458a_100000070787_100000742827 [0,0,1,0,0,0|2,0,1]=4 24 B8R0.2 CCC(=O)C(C)C(=O)C 1458a_100000210414_100000179758 [0,0,1,0,0,0|2,0,1]=4 25 B8R0.2 CCC(C)N(C)C(=O)C 11a_100000741768_100015343762 [0,0,1,0,0,0|2,0,1]=4 26 B8R0.2 CCC(C)N(C)C(=O)C 1626a_100000741768_100015343762 [0,0,1,0,0,0|2,0,1]=4 27 B8R0.2 CCC(C)N(C)C(=O)C 240690a_100000741768_100015343762 [0,0,1,0,0,0|2,0,1]=4 28 B8R0.2 CCC(C)N(C)C(=O)C 527a_100000741768_100103153847 [0,0,1,0,0,0|2,0,1]=4 29 B8R0.2 CCN(C)C(=O)C(=O)N 240690a_100000225621_100011215815 [0,0,1,0,0,0|2,0,1]=4 30 B8R0.2 CCN(C)C(C)C(=O)C 1458a_100011281945_200000210301 [0,0,1,0,0,0|2,0,1]=4 31 B8R0.2 CCN(C)C(C)C(=O)C 2230a_100000225621_100009814033 [0,0,1,0,0,0|2,0,1]=4 32 B8R0.2 CCN(C)C(C)C(=O)C 269982a_100000225621_100009814033 [0,0,1,0,0,0|2,0,1]=4 33 B8R0.2 CCN(C)C(C)C(=O)[13CH3] 1458a_100011281945_200025704644 [0,0,1,0,0,0|2,0,1]=4 34 B8R0.3 CC/C=C(\C)/C(=O)CC 1458a_100016988807_100000210202 [0,0,1,0,0,0|1,0,0]=2 35 B8R0.3 CC/C=C(\C)/C(=O)CF 1458a_100016988807_100015361967 [0,0,1,0,0,0|2,0,0]=3 36 B8R0.3 CC/C=C(\C)/C(=O)NC 11a_106832991635_100016988807 [0,0,1,0,0,0|2,0,0]=3 37 B8R0.3 CC/C=C(\C)/C(=O)NC 1626a_100102657272_100016988807 [0,0,1,0,0,0|2,0,0]=3 38 B8R0.3 CC/C=C(\C)/C(=O)NC 240690a_100102657272_100016988807 [0,0,1,0,0,0|2,0,0]=3 39 B8R0.3 CC/C=C(\C)/C(=O)NC 527a_100102657272_100016988807 [0,0,1,0,0,0|2,0,0]=3 40 B8R0.3 CCC(=O)/C(=N/OC)/C 1458a_100160996864_100000210202 [0,0,1,0,0,0|3,0,0]=4 41 B8R0.3 CCCC(=O)C(=O)NC 1458a_100011218921_100000210303 [0,0,1,0,0,0|1,0,2]=4 42 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210414_100000766640 [0,0,1,0,0,0|1,0,2]=4 43 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210906_100000210202 [0,0,1,0,0,0|1,0,2]=4 44 B8R0.3 CCCN(C)C(=O)CC 11a_100000747261_100000210414 [0,0,1,0,0,0|2,0,1]=4 45 B8R0.3 CCCN(C)C(=O)CC 1626a_100000747261_100000210414 [0,0,1,0,0,0|2,0,1]=4 46 B8R0.3 CCCN(C)C(=O)CC 240690a_100000747261_100000210414 [0,0,1,0,0,0|2,0,1]=4 47 B8R0.3 CCCN(C)C(=O)CC 527a_100000747261_100000210414 [0,0,1,0,0,0|2,0,1]=4 48 B8R0.3 CCC[C@H](O)C(=O)CC 1458a_100009822183_100000210202 [0,0,1,0,0,0|0,0,2]=3 49 B8R0.3 CCC[C@H](O)C(=O)CF 1458a_100009822183_100015361967 [0,0,1,0,0,0|1,0,2]=4 50 B8R0.3 CCC[C@H](O)C(=O)NC 240690a_100102657272_100009822183 [0,0,1,0,0,0|1,0,2]=4 51 B8R0.3 CCNC(=O)C(=O)CC 1458a_200011297158_100000210202 [0,0,1,0,0,0|1,0,1]=3 52 B8R0.3 CCNC(=O)C(=O)CF 1458a_200011297158_100015361967 [0,0,1,0,0,0|2,0,1]=4 53 B8R0.3 CCNC(=O)C(=O)NC 1626a_100102657272_200011297158 [0,0,1,0,0,0|2,0,1]=4 54 B8R0.3 CCNC(=O)C(=O)NC 240690a_100015525214_100011218921 [0,0,1,0,0,0|2,0,1]=4 55 B8R0.3 CCNC(=O)C(=O)NC 240690a_100102657272_200011297158 [0,0,1,0,0,0|2,0,1]=4 56 B8R0.3 CCNC(=O)C(=O)NC 527a_100015525214_100011218921 [0,0,1,0,0,0|2,0,1]=4 57 B8R0.3 CCNC(=O)C(=O)NC 527a_100102657272_200011297158 [0,0,1,0,0,0|2,0,1]=4 58 B8R0.3 CCNC(=O)C(=O)OC 11a_100015525214_100000024059 [0,0,1,0,0,0|2,0,1]=4 59 B8R0.3 CCNC(=O)C(=O)OC 240690a_100015525214_100000024059 [0,0,1,0,0,0|2,0,1]=4 60 B8R0.3 CCNC(=O)C(=O)OC 527a_100015525214_100000024059 [0,0,1,0,0,0|2,0,1]=4 61 B8R0.3 CCNC(C)C(=O)CC 2230a_100015525214_100000742827 [0,0,1,0,0,0|2,0,1]=4 62 B8R0.3 CCOC(=O)C(=O)NC 11a_106832991635_100014798877 [0,0,1,0,0,0|2,0,1]=4 63 B8R0.3 CCOC(=O)C(=O)NC 1626a_100102657272_100014798877 [0,0,1,0,0,0|2,0,1]=4 64 B8R0.3 CCOC(=O)C(=O)NC 240690a_100102657272_100014798877 [0,0,1,0,0,0|2,0,1]=4 65 B8R0.3 CCOC(C)C(=O)CC 1458a_100000739345_100000210202 [0,0,1,0,0,0|2,0,1]=4 66 B8R0.3 CCSC(C)C(=O)CC 1458a_100000230601_100000210202 [0,0,1,0,0,0|2,0,1]=4 67 B8R0.3 CCSC(C)C(=O)CC 62a_100000210202_100000742827 [0,0,1,0,0,0|2,0,1]=4 68 B8R0.3 CCSC(C)C(=O)CC 62a_100000742827_100000210202 [0,0,1,0,0,0|2,0,1]=4 69 B8R0.6 C#CC(=O)C/C=C\CC 1458a_100000211873_100103147603 [0,0,1,0,0,0|1,0,2]=4 70 B8R0.6 C#CC(=O)CCCCC 1458a_100000211873_100000210326 [0,0,1,0,0,0|1,0,2]=4 71 B8R0.6 C#CC(=O)CCOCC 1458a_100000211873_100011215890 [0,0,1,0,0,0|2,0,1]=4 72 B8R0.6 C#CC(=O)CCSCC 1458a_100000211873_100000757381 [0,0,1,0,0,0|2,0,1]=4 73 B8R0.6 C=CC(=O)C/C=C\CC 1458a_100000185746_100103147603 [0,0,1,0,0,0|1,0,1]=3 74 B8R0.6 C=CC(=O)CC#CCC 1458a_100000185746_100009813939 [0,0,1,0,0,0|1,0,2]=4 75 B8R0.6 C=CC(=O)CCCCC 1458a_100000185746_100000210326 [0,0,1,0,0,0|1,0,1]=3 76 B8R0.6 C=CC(=O)CCCCF 1458a_100000185746_100000729493 [0,0,1,0,0,0|2,0,1]=4 77 B8R0.6 C=CC(=O)CCCCO 1458a_100000185746_100000210776 [0,0,1,0,0,0|2,0,1]=4 78 B8R0.6 C=CC(=O)CCCOC 1458a_100000185746_100000740836 [0,0,1,0,0,0|2,0,1]=4 79 B8R0.6 C=CC(=O)CCOCC 1458a_100000185746_100011215890 [0,0,1,0,0,0|2,0,0]=3 80 B8R0.6 C=CC(=O)CCSCC 1458a_100000185746_100000757381 [0,0,1,0,0,0|2,0,0]=3 81 B8R0.6 C=CC(=O)NCCCC 1626a_100000102301_100000185746 [0,0,1,0,0,0|2,0,1]=4 82 B8R0.6 C=CC(=O)NCCCC 240690a_100000102301_200121576911 [0,0,1,0,0,0|2,0,1]=4 83 B8R0.6 CC/C=C/CC(=O)CC 1458a_100016274230_100000210202 [0,0,1,0,0,0|1,0,2]=4 84 B8R0.6 CC/C=C/CC(=O)CF 1458a_100016274230_100015361967 [0,0,1,0,0,0|1,0,2]=4 85 B8R0.6 CC/C=C/CC(=O)NC 11a_106832991635_100016274230 [0,0,1,0,0,0|2,0,1]=4 86 B8R0.6 CC/C=C/CC(=O)NC 1626a_100102657272_100016274230 [0,0,1,0,0,0|2,0,1]=4 87 B8R0.6 CC/C=C/CC(=O)NC 240690a_100102657272_100016274230 [0,0,1,0,0,0|2,0,1]=4 88 B8R0.6 CC/C=C/CC(=O)NC 527a_100102657272_100016274230 [0,0,1,0,0,0|2,0,1]=4 89 B8R0.6 CC/C=C\CC(=O)CC 1458a_100000210414_100103147603 [0,0,1,0,0,0|1,0,2]=4 90 B8R0.6 CC/C=C\CC(=O)CO 1458a_100000210174_100103147603 [0,0,1,0,0,0|0,0,2]=3 91 B8R0.6 CCC#CCC(=O)CO 1458a_100000210174_100009813939 [0,0,1,0,0,0|0,0,3]=4 92 B8R0.6 CCCCCC(=O)CC 1458a_100000210414_100000210326 [0,0,1,0,0,0|1,0,2]=4 93 B8R0.6 CCCCCC(=O)CC 1458a_100000212188_100000210202 [0,0,1,0,0,0|1,0,2]=4 94 B8R0.6 CCCCCC(=O)CF 1458a_100000212188_100015361967 [0,0,1,0,0,0|1,0,2]=4 95 B8R0.6 CCCCCC(=O)CO 1458a_100000210174_100000210326 [0,0,1,0,0,0|0,0,2]=3 96 B8R0.6 CCCCCC(=O)NC 11a_106832991635_100000212188 [0,0,1,0,0,0|2,0,1]=4 97 B8R0.6 CCCCCC(=O)NC 1626a_100102657272_100000212188 [0,0,1,0,0,0|2,0,1]=4 98 B8R0.6 CCCCCC(=O)NC 240690a_100102657272_100000212188 [0,0,1,0,0,0|2,0,1]=4 99 B8R0.6 CCCCCC(=O)NC 527a_100102657272_100000212188 [0,0,1,0,0,0|2,0,1]=4 100 B8R0.6 CCCCNC(=O)CO 240690a_100000102301_100000210174 [0,0,1,0,0,0|1,0,2]=4 101 B8R0.6 CCCCNC(=O)CO 527a_100000102301_100000210174 [0,0,1,0,0,0|1,0,2]=4 102 B8R0.6 CCNCCC(=O)NC 2230a_100000738227_100000210202 [0,0,1,0,0,0|3,0,0]=4 103 B8R0.6 CCNCCC(=O)NC 2230a_100015525214_100000737683 [0,0,1,0,0,0|3,0,0]=4 104 B8R0.6 CCNCCC(=O)NC 34a_100000738227_100000210202 [0,0,1,0,0,0|3,0,0]=4 105 B8R0.6 CCNCCC(=O)OC 2230a_100015525214_100000204255 [0,0,1,0,0,0|3,0,0]=4 106 B8R0.6 CCOCCC(=NO)N 34a_100000749954_100000210202 [0,0,1,0,0,0|3,0,0]=4 107 B8R0.6 CCOCCC(=O)CC 1458a_100000210414_100011215890 [0,0,1,0,0,0|2,0,1]=4 108 B8R0.6 CCOCCC(=O)CC 1458a_100000749530_100000210202 [0,0,1,0,0,0|2,0,1]=4 109 B8R0.6 CCOCCC(=O)CF 1458a_100000749530_100015361967 [0,0,1,0,0,0|2,0,1]=4 110 B8R0.6 CCOCCC(=O)CO 1458a_100000210174_100011215890 [0,0,1,0,0,0|1,0,1]=3 111 B8R0.6 CCOCCC(=O)NC 11a_106832991635_100000749530 [0,0,1,0,0,0|3,0,0]=4 112 B8R0.6 CCOCCC(=O)NC 1626a_100102657272_100000749530 [0,0,1,0,0,0|3,0,0]=4 113 B8R0.6 CCOCCC(=O)NC 240690a_100102657272_100000749530 [0,0,1,0,0,0|3,0,0]=4 114 B8R0.6 CCOCCC(=O)NC 34a_100000754576_100000210202 [0,0,1,0,0,0|3,0,0]=4 115 B8R0.6 CCOCCC(=O)NC 34a_100121572206_100012179268 [0,0,1,0,0,0|3,0,0]=4 116 B8R0.6 CCOCCC(=O)NC 527a_100102657272_100000749530 [0,0,1,0,0,0|3,0,0]=4 117 B8R0.6 CCOCCC(=O)OC 34a_100121572206_100000742370 [0,0,1,0,0,0|3,0,0]=4 118 B8R0.6 CCSCCC(=O)CC 1458a_100000210414_100000757381 [0,0,1,0,0,0|2,0,1]=4 119 B8R0.6 CCSCCC(=O)CC 1458a_100000230768_100000210202 [0,0,1,0,0,0|2,0,1]=4 120 B8R0.6 CCSCCC(=O)CF 1458a_100000230768_100015361967 [0,0,1,0,0,0|2,0,1]=4 121 B8R0.6 CCSCCC(=O)CO 1458a_100000210174_100000757381 [0,0,1,0,0,0|1,0,1]=3 122 B8R0.6 CCSCCC(=O)NC 11a_106832991635_100000230768 [0,0,1,0,0,0|3,0,0]=4 123 B8R0.6 CCSCCC(=O)NC 1626a_100102657272_100000230768 [0,0,1,0,0,0|3,0,0]=4 124 B8R0.6 CCSCCC(=O)NC 240690a_100102657272_100000230768 [0,0,1,0,0,0|3,0,0]=4 125 B8R0.6 CCSCCC(=O)NC 527a_100102657272_100000230768 [0,0,1,0,0,0|3,0,0]=4 126 B8R0.6 CCSCCC(=O)NC 62a_100000210202_100000737683 [0,0,1,0,0,0|3,0,0]=4 127 B8R0.6 CCSCCC(=O)NC 62a_100000737683_100000210202 [0,0,1,0,0,0|3,0,0]=4 128 B8R0.6 CCSCCC(=O)OC 62a_100000204255_100000210202 [0,0,1,0,0,0|3,0,0]=4 129 B8R0.6 CCSCCC(=O)OC 62a_100000210202_100000204255 [0,0,1,0,0,0|3,0,0]=4 130 B8R0.6 COCCCC(=O)CO 1458a_100000210174_100000740836 [0,0,1,0,0,0|1,0,2]=4 131 B8R0.6 O=C(CO)CCCCF 1458a_100000210174_100000729493 [0,0,1,0,0,0|1,0,2]=4 132 B8R0.6 O=C(CO)CCCCO 1458a_100000210174_100000210776 [0,0,1,0,0,0|1,0,2]=4 133 B8R0.11 C=CC(CC)OCC=O 34a_100000766422_200009817547 [0,0,1,0,0,0|2,0,1]=4 134 B8R0.11 C=CC(CC)OCC=O 7a_100000766422_200015260668 [0,0,1,0,0,0|2,0,1]=4 135 B8R0.11 CC[C@@H](CO)NCC=O 2230a_100000709445_200015260668 [0,0,1,0,0,0|1,0,2]=4 136 B8R0.20 C=CC(=O)C(CC)CC 1458a_100000185746_100000210505 [0,0,1,0,0,0|1,0,2]=4 137 B8R0.20 C=CC(=O)N(CC)CC 1626a_100000724800_100000185746 [0,0,1,0,0,0|2,0,1]=4 138 B8R0.20 C=CC(=O)N(CC)CC 240690a_100000724800_200121576911 [0,0,1,0,0,0|2,0,1]=4 139 B10R1.2 CCN1CCNC(=O)C1C 2230a_100000750721_100000210202 [0,0,0,0,0,1|2,0,1]=4 140 B10R1.2 CCN1CCNC(=O)C1C 269982a_100000750721_100000204670 [0,0,0,0,0,1|2,0,1]=4 141 B10R1.2 CCN1CCNC(=O)C1C 34a_100000750721_100000210202 [0,0,0,0,0,1|2,0,1]=4 142 B10R1.2 CCc1cccc(c1O)C 271570a_203496583355_100000036235 [0,0,0,0,0,1|1,0,2]=4 143 B10R1.2 CCc1cccc(c1O)O 271570a_203496583355_200010001580 [0,0,0,0,0,1|0,0,3]=4 144 B10R1.2 COc1cn[nH]c(=O)c1O 271570a_203496583355_100000020519 [0,0,0,0,0,1|2,0,1]=4 145 B10R1.25 CCc1cnc(cc1O)C 271570a_203496583355_100010291839 [0,0,0,0,0,1|2,0,1]=4 146 B10R1.25 CCc1cnc(nc1O)C 271570a_203496583355_200000069817 [0,0,0,0,0,1|2,0,1]=4 147 B10R1.25 CCc1ncc(cc1O)N 271570a_203496583355_100013085292 [0,0,0,0,0,1|2,0,1]=4 148 B10R1.25 CNC1CCC(=O)NC1=O 2230a_100000691121_200000210301 [0,0,0,0,0,1|1,0,2]=4 149 B10R1.25 CNC1CCC(=O)NC1=O 2230a_106832991635_100000694648 [0,0,0,0,0,1|1,0,2]=4 150 B10R1.25 CNC1CCC(=O)NC1=O 34a_100000691121_200000210301 [0,0,0,0,0,1|1,0,2]=4 151 B10R1.25 CNC1CCC(=O)NC1=O 7a_106832991635_100000694648 [0,0,0,0,0,1|1,0,2]=4 152 B10R1.25 COc1c[nH]c(=O)cc1O 271570a_203496583355_100121573661 [0,0,0,0,0,1|2,0,1]=4 153 B10R1.25 CSC1CCC(=O)NC1=O 62a_100000694648_200000210301 [0,0,0,0,0,1|1,0,2]=4 154 B10R1.25 CSC1CCC(=O)NC1=O 62a_200000210301_100000694648 [0,0,0,0,0,1|1,0,2]=4 155 B10R1.25 [13CH3]NC1CCC(=O)NC1=O 2230a_100000691121_200025704644 [0,0,0,0,0,1|1,0,2]=4 156 B10R1.25 [13CH3]NC1CCC(=O)NC1=O 34a_100000691121_200025704644 [0,0,0,0,0,1|1,0,2]=4 157 B10R1.25 [13CH3]SC1CCC(=O)NC1=O 62a_100000694648_200025704644 [0,0,0,0,0,1|1,0,2]=4 158 B10R1.25 [13CH3]SC1CCC(=O)NC1=O 62a_200025704644_100000694648 [0,0,0,0,0,1|1,0,2]=4 159 B10R1.176 CCc1ccc(c(c1)O)F 271570a_203496583355_200010244628 [0,0,0,0,0,1|1,0,2]=4 160 B10R1.176 CCc1ccc(c(c1)O)N 271570a_203496583355_100012339725 [0,0,0,0,0,1|1,0,2]=4 161 B10R1.176 CCc1ccc(c(c1)O)O 271570a_203496583355_100012339963 [0,0,0,0,0,1|0,0,3]=4 162 B10R1.176 CSc1c[nH]c(=O)c(c1)O 62a_200000210301_100009814561 [0,0,0,0,0,1|2,0,1]=4 163 B10R1.176 [13CH3]Sc1c[nH]c(=O)c(c1)O 62a_200025704644_100009814561 [0,0,0,0,0,1|2,0,1]=4 164 B7R0.2 CCC(=CC(=O)C)C 1458a_100020758463_200000210301 [1,0,1,0,0,0|0,0,0]=2 165 B7R0.2 CCC(=CC(=O)[13CH3])C 1458a_100020758463_200025704644 [1,0,1,0,0,0|0,0,0]=2 166 B7R0.2 CCC(=O)C=C(C)C 1458a_100000211388_100000210202 [1,0,1,0,0,0|2,0,0]=4 167 B7R0.2 CCC(=O)C=C(C)Cl 1458a_200042562850_100000210202 [1,0,1,0,0,0|2,0,0]=4 168 B7R0.2 CCC(=O)C=C(C)I 1458a_100025716642_100000210202 [1,0,1,0,0,0|2,0,0]=4 169 B7R0.2 CCC(=O)CC(=O)C 1458a_100000070787_100000747405 [1,0,1,0,0,0|1,0,1]=4 170 B7R0.2 CCC(C)CC(=O)C 1458a_100000070787_100000748023 [1,0,1,0,0,0|0,0,2]=4 171 B7R0.2 CCC(C)CC(=O)C 1458a_100000708755_200000210301 [1,0,1,0,0,0|0,0,2]=4 172 B7R0.2 CCC(C)CC(=O)[13CH3] 1458a_100000708755_200025704644 [1,0,1,0,0,0|0,0,2]=4 173 B7R0.2 CCC(C)NC(=O)C 11a_100000209981_100015343762 [1,0,1,0,0,0|1,0,1]=4 174 B7R0.2 CCC(C)NC(=O)C 1626a_100000209981_100015343762 [1,0,1,0,0,0|1,0,1]=4 175 B7R0.2 CCC(C)NC(=O)C 240690a_100000209981_100015343762 [1,0,1,0,0,0|1,0,1]=4 176 B7R0.2 CCC(C)NC(=O)C 527a_100000209981_100103153847 [1,0,1,0,0,0|1,0,1]=4 177 B7R0.2 CCN(C)CC(=O)C 1458a_100116209913_200000210301 [1,0,1,0,0,0|1,0,1]=4 178 B7R0.2 CCN(C)CC(=O)[13CH3] 1458a_100116209913_200025704644 [1,0,1,0,0,0|1,0,1]=4 179 B7R0.2 CC[C@H](C)CC(=O)C 1458a_100000070787_100009816398 [1,0,1,0,0,0|0,0,2]=4 180 B7R0.5 CC/C=C(\C)/C(=O)C 1458a_100016988807_200000210301 [1,0,1,0,0,0|1,0,0]=3 181 B7R0.5 CC/C=C(\C)/C(=O)[13CH3] 1458a_100016988807_200025704644 [1,0,1,0,0,0|1,0,0]=3 182 B7R0.5 CCC[C@H](O)C(=O)C 1458a_100009822183_200000210301 [1,0,1,0,0,0|0,0,2]=4 183 B7R0.5 CCC[C@H](O)C(=O)[13CH3] 1458a_100009822183_200025704644 [1,0,1,0,0,0|0,0,2]=4 184 B7R0.5 CCNC(=O)C(=O)C 1458a_200011297158_200000210301 [1,0,1,0,0,0|1,0,1]=4 185 B7R0.5 CCNC(=O)C(=O)[13CH3] 1458a_200011297158_200025704644 [1,0,1,0,0,0|1,0,1]=4 186 B7R0.10 C/C=C(\C)/C(=O)CC 1458a_100020587367_100000210202 [1,0,1,0,0,0|1,0,0]=3 187 B7R0.10 C/C=C(\C)/C(=O)CF 1458a_100020587367_100015361967 [1,0,1,0,0,0|2,0,0]=4 188 B7R0.10 C/C=C(\C)/C(=O)NC 11a_106832991635_100020587367 [1,0,1,0,0,0|2,0,0]=4 189 B7R0.10 C/C=C(\C)/C(=O)NC 1626a_100102657272_100020587367 [1,0,1,0,0,0|2,0,0]=4 190 B7R0.10 CCC(=O)C(=O)NC 1458a_100011218921_100000210202 [1,0,1,0,0,0|1,0,1]=4 191 B7R0.10 CCC(=O)C(C)CC 1458a_100000210414_100000758301 [1,0,1,0,0,0|1,0,1]=4 192 B7R0.10 CCC(=O)C(C)CC 1458a_100011192722_100000210202 [1,0,1,0,0,0|1,0,1]=4 193 B7R0.10 CCC(=O)C(O)CC 1458a_100011196387_100000210202 [1,0,1,0,0,0|0,0,1]=3 194 B7R0.10 CCC(=O)C(O)CO 1458a_100011215603_100000210202 [1,0,1,0,0,0|1,0,1]=4 195 B7R0.10 CCC(=O)N(C)CC 11a_100000225621_100000210414 [1,0,1,0,0,0|2,0,0]=4 196 B7R0.10 CCC(=O)N(C)CC 1626a_100000225621_100000210414 [1,0,1,0,0,0|2,0,0]=4 197 B7R0.10 CCC(=O)N(C)CC 240690a_100000225621_100000210414 [1,0,1,0,0,0|2,0,0]=4 198 B7R0.10 CCC(=O)N(C)CC 527a_100000225621_100000210414 [1,0,1,0,0,0|2,0,0]=4 199 B7R0.10 CCC(O)C(=O)CF 1458a_100011196387_100015361967 [1,0,1,0,0,0|1,0,1]=4 200 B7R0.10 CCC(O)C(=O)NC 240690a_100102657272_100011196387 [1,0,1,0,0,0|1,0,1]=4 201 B7R0.16 CC(=O)C(=O)N(C)C 1458a_100011218876_200000210301 [1,0,1,0,0,0|1,0,1]=4 202 B7R0.16 CC(=O)[C@H](O)C(C)C 1458a_100000691806_200000210301 [1,0,1,0,0,0|0,0,2]=4 203 B7R0.16 CC(C)[C@@H](O)C(=O)[13CH3] 1458a_100000691806_200025704644 [1,0,1,0,0,0|0,0,2]=4 204 B7R0.16 CN(C)C(=O)C(=O)[13CH3] 1458a_100011218876_200025704644 [1,0,1,0,0,0|1,0,1]=4 205 B7R0.3 C#CC(=O)CCCC 1458a_100000211873_100000210211 [1,0,1,0,0,0|1,0,1]=4 206 B7R0.3 C/C=C/CC(=O)CC 1458a_100000210414_100102629194 [1,0,1,0,0,0|0,0,2]=4 207 B7R0.3 C/C=C/CC(=O)CO 1458a_100000210174_100102629194 [1,0,1,0,0,0|0,0,2]=4 208 B7R0.3 C=CC(=O)C/C=C/C 1458a_100000185746_100102629194 [1,0,1,0,0,0|1,0,1]=4 209 B7R0.3 C=CC(=O)CC=CC 1458a_100000185746_100000070051 [1,0,1,0,0,0|1,0,1]=4 210 B7R0.3 C=CC(=O)CCCC 1458a_100000185746_100000210211 [1,0,1,0,0,0|1,0,0]=3 211 B7R0.3 C=CC(=O)CCCF 1458a_100000185746_100011934791 [1,0,1,0,0,0|2,0,0]=4 212 B7R0.3 C=CC(=O)CCCO 1458a_100000185746_100011215043 [1,0,1,0,0,0|2,0,0]=4 213 B7R0.3 C=CC(=O)CCOC 1458a_100000185746_100000233755 [1,0,1,0,0,0|2,0,0]=4 214 B7R0.3 C=CC(=O)CCSC 1458a_100000185746_100000751147 [1,0,1,0,0,0|2,0,0]=4 215 B7R0.3 C=CC(=O)NCCC 1626a_100020643023_100000185746 [1,0,1,0,0,0|2,0,0]=4 216 B7R0.3 C=CC(=O)NCCC 240690a_100020643023_200121576911 [1,0,1,0,0,0|2,0,0]=4 217 B7R0.3 C=CC=CC(=O)CC 1458a_100016291481_100000210202 [1,0,1,0,0,0|0,0,2]=4 218 B7R0.3 C=CCCC(=O)C=C 1458a_100000185746_100000754431 [1,0,1,0,0,0|1,0,1]=4 219 B7R0.3 C=CCCC(=O)CC 1458a_100000210414_100000754431 [1,0,1,0,0,0|1,0,1]=4 220 B7R0.3 C=CCCC(=O)CC 1458a_100000749702_100000210202 [1,0,1,0,0,0|1,0,1]=4 221 B7R0.3 C=CCCC(=O)CO 1458a_100000210174_100000754431 [1,0,1,0,0,0|0,0,2]=4 222 B7R0.3 CC=CCC(=O)CC 1458a_100000210414_100000070051 [1,0,1,0,0,0|0,0,2]=4 223 B7R0.3 CC=CCC(=O)CC 1458a_100121576822_100000210202 [1,0,1,0,0,0|0,0,2]=4 224 B7R0.3 CC=CCC(=O)CO 1458a_100000210174_100000070051 [1,0,1,0,0,0|0,0,2]=4 225 B7R0.3 CCC#CC(=O)CC 1458a_100011827653_100000210202 [1,0,1,0,0,0|0,0,2]=4 226 B7R0.3 CCC(=O)C=COC 1458a_100016268678_100000210202 [1,0,1,0,0,0|1,0,0]=3 227 B7R0.3 CCC=CC(=O)CC 1458a_100000212282_100000210202 [1,0,1,0,0,0|0,0,0]=2 228 B7R0.3 CCC=CC(=O)CF 1458a_100000212282_100015361967 [1,0,1,0,0,0|1,0,0]=3 229 B7R0.3 CCC=CC(=O)NC 11a_106832991635_100000212282 [1,0,1,0,0,0|1,0,0]=3 230 B7R0.3 CCC=CC(=O)NC 1626a_100102657272_100000212282 [1,0,1,0,0,0|1,0,0]=3 231 B7R0.3 CCC=CC(=O)NC 240690a_100102657272_100000212282 [1,0,1,0,0,0|1,0,0]=3 232 B7R0.3 CCCCC(=O)CC 1458a_100000210183_100000210202 [1,0,1,0,0,0|0,0,2]=4 233 B7R0.3 CCCCC(=O)CC 1458a_100000210414_100000210211 [1,0,1,0,0,0|0,0,2]=4 234 B7R0.3 CCCCC(=O)CF 1458a_100000210183_100015361967 [1,0,1,0,0,0|1,0,1]=4 235 B7R0.3 CCCCC(=O)CO 1458a_100000210174_100000210211 [1,0,1,0,0,0|0,0,1]=3 236 B7R0.3 CCCCC(=O)NC 11a_106832991635_100000210183 [1,0,1,0,0,0|2,0,0]=4 237 B7R0.3 CCCCC(=O)NC 1626a_100102657272_100000210183 [1,0,1,0,0,0|2,0,0]=4 238 B7R0.3 CCCCC(=O)NC 240690a_100102657272_100000210183 [1,0,1,0,0,0|2,0,0]=4 239 B7R0.3 CCCCC(=O)NC 527a_100102657272_100000210183 [1,0,1,0,0,0|2,0,0]=4 240 B7R0.3 CCCNC(=O)CC 11a_100020643023_100000210414 [1,0,1,0,0,0|1,0,1]=4 241 B7R0.3 CCCNC(=O)CC 1626a_100020643023_100000210414 [1,0,1,0,0,0|1,0,1]=4 242 B7R0.3 CCCNC(=O)CC 240690a_100020643023_100000210414 [1,0,1,0,0,0|1,0,1]=4 243 B7R0.3 CCCNC(=O)CC 527a_100020643023_100000210414 [1,0,1,0,0,0|1,0,1]=4 244 B7R0.3 CCCNC(=O)CO 240690a_100020643023_100000210174 [1,0,1,0,0,0|1,0,1]=4 245 B7R0.3 CCCNC(=O)CO 527a_100020643023_100000210174 [1,0,1,0,0,0|1,0,1]=4 246 B7R0.3 CCNNC(=O)CC 22a_100000756455_100000210414 [1,0,1,0,0,0|2,0,0]=4 247 B7R0.3 CCOCC(=O)CC 1458a_100000211967_100000210202 [1,0,1,0,0,0|1,0,1]=4 248 B7R0.3 CCOCC(=O)CC 34a_100000725409_100000210202 [1,0,1,0,0,0|1,0,1]=4 249 B7R0.3 CCSCC(=O)CC 1458a_100000230394_100000210202 [1,0,1,0,0,0|1,0,1]=4 250 B7R0.3 CCSCC(=O)CC 62a_100000210202_100000747405 [1,0,1,0,0,0|1,0,1]=4 251 B7R0.3 CCSCC(=O)CC 62a_100000747405_100000210202 [1,0,1,0,0,0|1,0,1]=4 252 B7R0.3 CNC(=O)C=COC 1626a_100102657272_100016268678 [1,0,1,0,0,0|2,0,0]=4 253 B7R0.3 CNC(=O)C=COC 240690a_100102657272_100016268678 [1,0,1,0,0,0|2,0,0]=4 254 B7R0.3 COC=CC(=O)CF 1458a_100016268678_100015361967 [1,0,1,0,0,0|2,0,0]=4 255 B7R0.3 COCCC(=O)CO 1458a_100000210174_100000233755 [1,0,1,0,0,0|1,0,1]=4 256 B7R0.3 CSCCC(=O)CO 1458a_100000210174_100000751147 [1,0,1,0,0,0|1,0,1]=4 257 B7R0.3 O=C(CO)CCCF 1458a_100000210174_100011934791 [1,0,1,0,0,0|1,0,1]=4 258 B7R0.3 O=C(CO)CCCO 1458a_100000210174_100011215043 [1,0,1,0,0,0|1,0,1]=4 259 B7R0.1 C/C=C/CCOCC 34a_100016278192_100000210202 [1,0,1,0,0,0|2,0,0]=4 260 B7R0.4 C=C(Br)CCOCC 34a_100009813270_100000210202 [1,0,1,0,0,0|2,0,0]=4 261 B7R0.4 C=C(C)CCNCC 2230a_100015525214_100000730704 [1,0,1,0,0,0|2,0,0]=4 262 B7R0.4 C=C(C)CCOCC 34a_100000764851_100000210202 [1,0,1,0,0,0|2,0,0]=4 263 B7R0.4 C=C(C)CCOCC 34a_100121572206_100000730704 [1,0,1,0,0,0|2,0,0]=4 264 B7R0.4 C=C(C)CCSCC 62a_100000210202_100000730704 [1,0,1,0,0,0|2,0,0]=4 265 B7R0.4 C=C(C)CCSCC 62a_100000730704_100000210202 [1,0,1,0,0,0|2,0,0]=4 266 B7R0.4 CC/C=C/CC(=O)C 1458a_100016274230_200000210301 [1,0,1,0,0,0|0,0,2]=4 267 B7R0.4 CC/C=C/CC(=O)[13CH3] 1458a_100016274230_200025704644 [1,0,1,0,0,0|0,0,2]=4 268 B7R0.4 CC/C=C\CC(=O)C 1458a_100000070787_100103147603 [1,0,1,0,0,0|0,0,2]=4 269 B7R0.4 CCCCCC(=O)C 1458a_100000070787_100000210326 [1,0,1,0,0,0|0,0,2]=4 270 B7R0.4 CCCCCC(=O)C 1458a_100000212188_200000210301 [1,0,1,0,0,0|0,0,2]=4 271 B7R0.4 CCCCCC(=O)[13CH3] 1458a_100000212188_200025704644 [1,0,1,0,0,0|0,0,2]=4 272 B7R0.4 CCCNCC(=O)O 269956a_100016091260_100000210207 [1,0,1,0,0,0|1,0,1]=4 273 B7R0.4 CCNCCC(=O)N 2230a_100015525214_100000744528 [1,0,1,0,0,0|2,0,0]=4 274 B7R0.4 CCNOCC(=O)O 269956a_100000106656_100000210202 [1,0,1,0,0,0|2,0,0]=4 275 B7R0.4 CCOCCC(=O)C 1458a_100000070787_100011215890 [1,0,1,0,0,0|1,0,1]=4 276 B7R0.4 CCOCCC(=O)C 1458a_100000749530_200000210301 [1,0,1,0,0,0|1,0,1]=4 277 B7R0.4 CCOCCC(=O)C 34a_100000759926_100000210202 [1,0,1,0,0,0|1,0,1]=4 278 B7R0.4 CCOCCC(=O)C 7a_100000759926_100000210202 [1,0,1,0,0,0|1,0,1]=4 279 B7R0.4 CCOCCC(=O)N 34a_100000757172_100000210202 [1,0,1,0,0,0|2,0,0]=4 280 B7R0.4 CCOCCC(=O)N 34a_100121572206_100000731001 [1,0,1,0,0,0|2,0,0]=4 281 B7R0.4 CCOCCC(=O)N 7a_100000757172_100000210202 [1,0,1,0,0,0|2,0,0]=4 282 B7R0.4 CCOCCC(=O)[13CH3] 1458a_100000749530_200025704644 [1,0,1,0,0,0|1,0,1]=4 283 B7R0.4 CCSCCC(=O)C 1458a_100000070787_100000757381 [1,0,1,0,0,0|1,0,1]=4 284 B7R0.4 CCSCCC(=O)C 1458a_100000230768_200000210301 [1,0,1,0,0,0|1,0,1]=4 285 B7R0.4 CCSCCC(=O)C 62a_100000053229_100000210202 [1,0,1,0,0,0|1,0,1]=4 286 B7R0.4 CCSCCC(=O)C 62a_100000210202_100000053229 [1,0,1,0,0,0|1,0,1]=4 287 B7R0.4 CCSCCC(=O)N 62a_100000210202_100000744528 [1,0,1,0,0,0|2,0,0]=4 288 B7R0.4 CCSCCC(=O)N 62a_100000744528_100000210202 [1,0,1,0,0,0|2,0,0]=4 289 B7R0.4 CCSCCC(=O)[13CH3] 1458a_100000230768_200025704644 [1,0,1,0,0,0|1,0,1]=4 290 B7R0.12 CCN(CC)CC=O 2230a_100000724800_200015260668 [1,0,1,0,0,0|1,0,1]=4 291 B7R0.12 CCN(CC)CC=O 269956a_100000042499_200015260668 [1,0,1,0,0,0|1,0,1]=4 292 B7R0.12 CCN(CC)CC=O 269982a_100000724800_200015260668 [1,0,1,0,0,0|1,0,1]=4 293 B7R0.15 CCC(CC)C(=O)C 1458a_100000070787_100000210505 [1,0,1,0,0,0|1,0,1]=4 294 B7R0.15 CCC(CC)C(=O)C 1458a_100000211163_200000210301 [1,0,1,0,0,0|1,0,1]=4 295 B7R0.15 CCC(CC)C(=O)[13CH3] 1458a_100000211163_200025704644 [1,0,1,0,0,0|1,0,1]=4 296 B7R0.15 CCN(CC)C(=O)C 11a_100000724800_100015343762 [1,0,1,0,0,0|2,0,0]=4 297 B7R0.15 CCN(CC)C(=O)C 1626a_100000724800_100015343762 [1,0,1,0,0,0|2,0,0]=4 298 B7R0.15 CCN(CC)C(=O)C 240690a_100000724800_100015343762 [1,0,1,0,0,0|2,0,0]=4 299 B7R0.15 CCN(CC)C(=O)C 527a_100000724800_100103153847 [1,0,1,0,0,0|2,0,0]=4 300 B7R0.15 CC[C@@H](NC)C(=O)O 269956a_100000747097_200000210301 [1,0,1,0,0,0|1,0,1]=4 301 B7R0.15 CC[C@@H](N[13CH3])C(=O)O 269956a_100000747097_200025704644 [1,0,1,0,0,0|1,0,1]=4 302 B7R1.4 Cc1cscc1O 271570a_203496583355_100000759966 [2,0,0,0,0,0|1,0,1]=4 303 B7R1.4 Cc1n[nH]cc1O 271570a_203496583355_100011912673 [2,0,0,0,0,0|2,0,0]=4 304 B7R1.4 Cc1oncc1O 271570a_203496583355_100009872056 [2,0,0,0,0,0|2,0,0]=4 305 B7R1.4 Cc1sccc1O 271570a_203496583355_100000684487 [2,0,0,0,0,0|1,0,1]=4 306 B9R0.27 CCC(C)C(=O)C(=O)NC 1458a_100011218921_100000758301 [0,1,1,0,0,0|0,0,2]=4 307 B9R0.27 CCN(C)C(=O)C(=O)NC 1626a_100000225621_100011218921 [0,1,1,0,0,0|1,0,1]=4 308 B9R0.27 CCN(C)C(=O)C(=O)NC 240690a_100000225621_100011218921 [0,1,1,0,0,0|1,0,1]=4 309 B9R0.27 CCN(C)C(=O)C(=O)NC 527a_100000225621_100011218921 [0,1,1,0,0,0|1,0,1]=4 310 B9R0.27 CCN(C)C(=O)C(=O)OC 11a_100000225621_100000024059 [0,1,1,0,0,0|1,0,1]=4 311 B9R0.27 CCN(C)C(=O)C(=O)OC 1626a_100000225621_100000024059 [0,1,1,0,0,0|1,0,1]=4 312 B9R0.27 CCN(C)C(=O)C(=O)OC 240690a_100000225621_100000024059 [0,1,1,0,0,0|1,0,1]=4 313 B9R0.27 CCN(C)C(=O)C(=O)OC 527a_100000225621_100000024059 [0,1,1,0,0,0|1,0,1]=4 314 B9R0.41 CCN(CC)C(=O)C(=O)C 1458a_200000187824_200000210301 [0,1,1,0,0,0|1,0,1]=4 315 B9R0.41 CCN(CC)C(=O)C(=O)[13CH3] 1458a_200000187824_200025704644 [0,1,1,0,0,0|1,0,1]=4 316 B9R0.8 CCC(=O)C(O)CCSC 1458a_100000685904_100000210202 [0,1,1,0,0,0|0,0,2]=4 317 B9R0.8 CCC/C=C(\C)/C(=O)CC 1458a_200020648666_100000210202 [0,1,1,0,0,0|1,0,0]=3 318 B9R0.8 CCC/C=C(\C)/C(=O)CF 1458a_200020648666_100015361967 [0,1,1,0,0,0|2,0,0]=4 319 B9R0.8 CCC/C=C(\C)/C(=O)NC 11a_106832991635_200020648666 [0,1,1,0,0,0|2,0,0]=4 320 B9R0.8 CCC/C=C(\C)/C(=O)NC 1626a_100102657272_200020648666 [0,1,1,0,0,0|2,0,0]=4 321 B9R0.8 CCC/C=C(\C)/C(=O)NC 240690a_100102657272_200020648666 [0,1,1,0,0,0|2,0,0]=4 322 B9R0.8 CCCCC(O)C(=O)CC 1458a_100000720857_100000210202 [0,1,1,0,0,0|0,0,2]=4 323 B9R0.8 CCCNC(=O)C(=O)CC 1458a_200011297150_100000210202 [0,1,1,0,0,0|0,0,2]=4 324 B9R0.23 CCC(=O)C(=O)NC(C)C 1458a_100011220036_100000210202 [0,1,1,0,0,0|1,0,1]=4 325 B9R0.23 CCC(=O)[C@@H](O)CC(C)C 1458a_100012027011_100000210202 [0,1,1,0,0,0|0,0,2]=4 326 B9R0.35 C#CCC(=O)/C(=C/CC)/C 1458a_100016988807_100000184674 [0,1,1,0,0,0|1,0,1]=4 327 B9R0.35 C=CCC(=O)/C(=C/CC)/C 1458a_100016988807_100000210623 [0,1,1,0,0,0|1,0,1]=4 328 B9R0.35 CC/C=C(\C)/C(=O)CC#N 1458a_100016988807_100011214920 [0,1,1,0,0,0|1,0,1]=4 329 B9R0.35 CC/C=C(\C)/C(=O)CCC 1458a_100016988807_100000210303 [0,1,1,0,0,0|1,0,0]=3 330 B9R0.35 CC/C=C(\C)/C(=O)CCF 1458a_100016988807_100011217306 [0,1,1,0,0,0|1,0,0]=3 331 B9R0.35 CC/C=C(\C)/C(=O)CCO 1458a_100016988807_100000211926 [0,1,1,0,0,0|1,0,0]=3 332 B9R0.35 CC/C=C(\C)/C(=O)NCC 11a_100015525214_100016988807 [0,1,1,0,0,0|1,0,0]=3 333 B9R0.35 CC/C=C(\C)/C(=O)NCC 240690a_100015525214_100016988807 [0,1,1,0,0,0|1,0,0]=3 334 B9R0.35 CC/C=C(\C)/C(=O)NCC 527a_100015525214_100016988807 [0,1,1,0,0,0|1,0,0]=3 335 B9R0.35 CC/C=C(\C)/C(=O)NNC 22a_100016993582_100016988807 [0,1,1,0,0,0|2,0,0]=4 336 B9R0.35 CCCC(=O)C(=O)NCC 1458a_200011297158_100000210303 [0,1,1,0,0,0|0,0,2]=4 337 B9R0.35 CCCC(=O)[C@@H](O)CCC 1458a_100009822183_100000210303 [0,1,1,0,0,0|0,0,2]=4 338 B9R0.35 CCC[C@H](O)C(=O)CCF 1458a_100009822183_100011217306 [0,1,1,0,0,0|0,0,2]=4 339 B9R0.35 CCC[C@H](O)C(=O)CCO 1458a_100009822183_100000211926 [0,1,1,0,0,0|0,0,2]=4 340 B9R0.35 CCC[C@H](O)C(=O)NCC 240690a_100015525214_100009822183 [0,1,1,0,0,0|0,0,2]=4 341 B9R0.35 CCNC(=O)C(=O)CCF 1458a_200011297158_100011217306 [0,1,1,0,0,0|1,0,1]=4 342 B9R0.35 CCNC(=O)C(=O)CCO 1458a_200011297158_100000211926 [0,1,1,0,0,0|1,0,1]=4 343 B9R0.35 CCNC(=O)C(=O)NCC 240690a_100015525214_200011297158 [0,1,1,0,0,0|1,0,1]=4 344 B9R0.35 CCNC(=O)C(=O)NCC 527a_100015525214_200011297158 [0,1,1,0,0,0|1,0,1]=4 345 B9R0.35 CCNC(=O)C(=O)OCC 11a_100015525214_100014798877 [0,1,1,0,0,0|1,0,1]=4 346 B9R0.35 CCNC(=O)C(=O)OCC 240690a_100015525214_100014798877 [0,1,1,0,0,0|1,0,1]=4 347 B9R0.35 CCOC(=O)C(=O)CSC 62a_100000211299_200000210301 [0,1,1,0,0,0|1,0,1]=4 348 B9R0.35 CCOC(=O)C(=O)CSC 62a_200000210301_100000211299 [0,1,1,0,0,0|1,0,1]=4 349 B9R0.35 CCOC(=O)C(=O)CS[13CH3] 62a_100000211299_200025704644 [0,1,1,0,0,0|1,0,1]=4 350 B9R0.35 CCOC(=O)C(=O)CS[13CH3] 62a_200025704644_100000211299 [0,1,1,0,0,0|1,0,1]=4 351 B9R0.1 C=CC(=O)CCC=C(C)C 1458a_100000185746_100011217483 [0,1,1,0,0,0|1,0,1]=4 352 B9R0.1 C=CC(=O)CCCC(C)C 1458a_100000185746_100011214892 [0,1,1,0,0,0|1,0,1]=4 353 B9R0.1 C=CC(=O)CCCC(C)O 1458a_100000185746_200000718107 [0,1,1,0,0,0|1,0,1]=4 354 B9R0.1 C=CC(=O)CCOC(C)C 1458a_100000185746_100000211751 [0,1,1,0,0,0|2,0,0]=4 355 B9R0.1 C=CC(=O)CCSC(C)C 1458a_100000185746_100000730970 [0,1,1,0,0,0|2,0,0]=4 356 B9R0.1 CC(=CCCC(=O)CO)C 1458a_100000210174_100011217483 [0,1,1,0,0,0|0,0,2]=4 357 B9R0.1 CC(C)CCCC(=O)CO 1458a_100000210174_100011214892 [0,1,1,0,0,0|0,0,2]=4 358 B9R0.1 CC(C)OCCC(=O)CO 1458a_100000210174_100000211751 [0,1,1,0,0,0|1,0,1]=4 359 B9R0.1 CC(C)SCCC(=O)CO 1458a_100000210174_100000730970 [0,1,1,0,0,0|1,0,1]=4 360 B9R0.1 CC(O)CCCC(=O)CO 1458a_100000210174_200000718107 [0,1,1,0,0,0|0,0,2]=4 361 B9R0.5 C=CCC(=O)C/C=C/CC 1458a_100016274230_100000210623 [0,1,1,0,0,0|1,0,1]=4 362 B9R0.5 C=CCC(=O)C/C=C\CC 1458a_100000210193_100103147603 [0,1,1,0,0,0|1,0,1]=4 363 B9R0.5 C=CCC(=O)CCCCC 1458a_100000210193_100000210326 [0,1,1,0,0,0|1,0,1]=4 364 B9R0.5 C=CCC(=O)CCCCC 1458a_100000212188_100000210623 [0,1,1,0,0,0|1,0,1]=4 365 B9R0.5 C=CCC(=O)CCOCC 1458a_100000210193_100011215890 [0,1,1,0,0,0|2,0,0]=4 366 B9R0.5 C=CCC(=O)CCOCC 1458a_100000749530_100000210623 [0,1,1,0,0,0|2,0,0]=4 367 B9R0.5 C=CCC(=O)CCSCC 1458a_100000210193_100000757381 [0,1,1,0,0,0|2,0,0]=4 368 B9R0.5 C=CCC(=O)CCSCC 1458a_100000230768_100000210623 [0,1,1,0,0,0|2,0,0]=4 369 B9R0.5 CC/C=C/CC(=O)CCO 1458a_100016274230_100000211926 [0,1,1,0,0,0|0,0,2]=4 370 B9R0.5 CC/C=C\CC(=O)C=CBr 1458a_100016273825_100103147603 [0,1,1,0,0,0|1,0,1]=4 371 B9R0.5 CC/C=C\CC(=O)C=CCl 1458a_200016279998_100103147603 [0,1,1,0,0,0|1,0,1]=4 372 B9R0.5 CC/C=C\CC(=O)C=CI 1458a_100016256311_100103147603 [0,1,1,0,0,0|1,0,1]=4 373 B9R0.5 CC/C=C\CC(=O)CCO 1458a_100011216618_100103147603 [0,1,1,0,0,0|0,0,2]=4 374 B9R0.5 CC/C=C\CC(=O)COC 1458a_100000210968_100103147603 [0,1,1,0,0,0|0,0,2]=4 375 B9R0.5 CC=CC(=O)C/C=C\CC 1458a_100000210699_100103147603 [0,1,1,0,0,0|1,0,1]=4 376 B9R0.5 CC=CC(=O)CCCCC 1458a_100000210699_100000210326 [0,1,1,0,0,0|1,0,1]=4 377 B9R0.5 CC=CC(=O)CCOCC 1458a_100000210699_100011215890 [0,1,1,0,0,0|2,0,0]=4 378 B9R0.5 CC=CC(=O)CCSCC 1458a_100000210699_100000757381 [0,1,1,0,0,0|2,0,0]=4 379 B9R0.5 CCCCCC(=O)C=CBr 1458a_100016273825_100000210326 [0,1,1,0,0,0|1,0,1]=4 380 B9R0.5 CCCCCC(=O)C=CCl 1458a_200016279998_100000210326 [0,1,1,0,0,0|1,0,1]=4 381 B9R0.5 CCCCCC(=O)C=CI 1458a_100016256311_100000210326 [0,1,1,0,0,0|1,0,1]=4 382 B9R0.5 CCCCCC(=O)CCO 1458a_100000212188_100000211926 [0,1,1,0,0,0|0,0,2]=4 383 B9R0.5 CCCCCC(=O)CCO 1458a_100011216618_100000210326 [0,1,1,0,0,0|0,0,2]=4 384 B9R0.5 CCCCCC(=O)COC 1458a_100000210968_100000210326 [0,1,1,0,0,0|0,0,2]=4 385 B9R0.5 CCCCCC(=O)COC 34a_100138415774_200012276598 [0,1,1,0,0,0|0,0,2]=4 386 B9R0.5 CCOCCC(=O)C=CBr 1458a_100016273825_100011215890 [0,1,1,0,0,0|2,0,0]=4 387 B9R0.5 CCOCCC(=O)C=CCl 1458a_200016279998_100011215890 [0,1,1,0,0,0|2,0,0]=4 388 B9R0.5 CCOCCC(=O)C=CI 1458a_100016256311_100011215890 [0,1,1,0,0,0|2,0,0]=4 389 B9R0.5 CCOCCC(=O)CCO 1458a_100000749530_100000211926 [0,1,1,0,0,0|1,0,1]=4 390 B9R0.5 CCOCCC(=O)CCO 1458a_100011216618_100011215890 [0,1,1,0,0,0|1,0,1]=4 391 B9R0.5 CCOCCC(=O)COC 1458a_100000210968_100011215890 [0,1,1,0,0,0|1,0,1]=4 392 B9R0.5 CCSCCC(=O)C=CBr 1458a_100016273825_100000757381 [0,1,1,0,0,0|2,0,0]=4 393 B9R0.5 CCSCCC(=O)C=CCl 1458a_200016279998_100000757381 [0,1,1,0,0,0|2,0,0]=4 394 B9R0.5 CCSCCC(=O)C=CI 1458a_100016256311_100000757381 [0,1,1,0,0,0|2,0,0]=4 395 B9R0.5 CCSCCC(=O)CCO 1458a_100000230768_100000211926 [0,1,1,0,0,0|1,0,1]=4 396 B9R0.5 CCSCCC(=O)CCO 1458a_100011216618_100000757381 [0,1,1,0,0,0|1,0,1]=4 397 B9R0.5 CCSCCC(=O)COC 1458a_100000210968_100000757381 [0,1,1,0,0,0|1,0,1]=4 398 B9R0.24 C=CC(=O)NCC(=O)CC 1458a_200011222540_100000210202 [0,1,1,0,0,0|2,0,0]=4 399 B9R0.24 CCC(=O)CCC(=O)NC 1458a_100011309844_100000210202 [0,1,1,0,0,0|2,0,0]=4 400 B9R0.24 CCC(=O)CCC(=O)OC 1458a_100000187943_100000210202 [0,1,1,0,0,0|2,0,0]=4 401 B9R0.34 C=CC(=O)CC(C)CCC 1458a_100000185746_100011216630 [0,1,1,0,0,0|1,0,1]=4 402 B9R0.34 CCCC(C)CC(=O)CO 1458a_100000210174_100011216630 [0,1,1,0,0,0|0,0,2]=4 403 B9R0.46 C#CC(=O)CC/C=C\CC 1458a_100000211873_100015370543 [0,1,1,0,0,0|1,0,1]=4 404 B9R0.46 C=CC(=O)CC/C=C\CC 1458a_100000185746_100015370543 [0,1,1,0,0,0|1,0,0]=3 405 B9R0.46 C=CC(=O)CCCCCC 1458a_100000185746_100000210757 [0,1,1,0,0,0|1,0,1]=4 406 B9R0.46 C=CC(=O)CCCCCF 1458a_100000185746_100000729378 [0,1,1,0,0,0|1,0,1]=4 407 B9R0.46 C=CC(=O)CCCCCO 1458a_100000185746_100000746330 [0,1,1,0,0,0|1,0,1]=4 408 B9R0.46 C=CC(=O)CCCCOC 1458a_100000185746_100000755781 [0,1,1,0,0,0|1,0,1]=4 409 B9R0.46 C=CC(=O)CCCOCC 1458a_100000185746_100012232248 [0,1,1,0,0,0|1,0,1]=4 410 B9R0.46 C=CC(=O)CCOCCC 1458a_100000185746_100011215938 [0,1,1,0,0,0|1,0,1]=4 411 B9R0.46 C=CC(=O)CCOCCO 1458a_100000185746_100011215305 [0,1,1,0,0,0|2,0,0]=4 412 B9R0.46 C=CC(=O)COCCCC 1458a_100000185746_100011995733 [0,1,1,0,0,0|1,0,1]=4 413 B9R0.46 C=CC(=O)NCCCCC 1626a_100000209983_100000185746 [0,1,1,0,0,0|1,0,1]=4 414 B9R0.46 C=CC(=O)NCCCCC 240690a_100000209983_200121576911 [0,1,1,0,0,0|1,0,1]=4 415 B9R0.46 C=CC(=O)NCCNCC 2230a_114873766552_100000210202 [0,1,1,0,0,0|2,0,0]=4 416 B9R0.46 C=CC(=O)NCCOCC 1626a_102516460346_100000185746 [0,1,1,0,0,0|2,0,0]=4 417 B9R0.46 C=CC(=O)NCCOCC 240690a_100011200944_200121576911 [0,1,1,0,0,0|2,0,0]=4 418 B9R0.46 C=CC(=O)NCCOCC 34a_100011304386_100000210202 [0,1,1,0,0,0|2,0,0]=4 419 B9R0.46 C=CC(=O)NCCSCC 1626a_100000106463_100000185746 [0,1,1,0,0,0|2,0,0]=4 420 B9R0.46 C=CC(=O)NCCSCC 240690a_100000106463_200121576911 [0,1,1,0,0,0|2,0,0]=4 421 B9R0.46 C=CC(=O)OCCNCC 2230a_100015525214_100009813456 [0,1,1,0,0,0|2,0,0]=4 422 B9R0.46 C=CC(=O)OCCOCC 34a_100121572206_100009813456 [0,1,1,0,0,0|2,0,0]=4 423 B9R0.46 C=CC(=O)OCCSCC 62a_100000210202_100009813456 [0,1,1,0,0,0|2,0,0]=4 424 B9R0.46 C=CC(=O)OCCSCC 62a_100009813456_100000210202 [0,1,1,0,0,0|2,0,0]=4 425 B9R0.46 CC/C=C\CCC(=O)CC 1458a_100000210414_100015370543 [0,1,1,0,0,0|1,0,1]=4 426 B9R0.46 CC/C=C\CCC(=O)CO 1458a_100000210174_100015370543 [0,1,1,0,0,0|0,0,1]=3 427 B9R0.46 CCCCCCC(=O)CO 1458a_100000210174_100000210757 [0,1,1,0,0,0|0,0,2]=4 428 B9R0.46 CCCCCNC(=O)CO 240690a_100000209983_100000210174 [0,1,1,0,0,0|0,0,2]=4 429 B9R0.46 CCCCCNC(=O)CO 527a_100000209983_100000210174 [0,1,1,0,0,0|0,0,2]=4 430 B9R0.46 CCCCOCC(=O)CO 1458a_100000210174_100011995733 [0,1,1,0,0,0|0,0,2]=4 431 B9R0.46 CCCOCCC(=O)CO 1458a_100000210174_100011215938 [0,1,1,0,0,0|0,0,2]=4 432 B9R0.46 CCOCCCC(=O)CO 1458a_100000210174_100012232248 [0,1,1,0,0,0|0,0,2]=4 433 B9R0.46 CCOCCNC(=O)CO 240690a_100011200944_100000210174 [0,1,1,0,0,0|1,0,1]=4 434 B9R0.46 CCOCCNC(=O)CO 527a_100011200944_100000210174 [0,1,1,0,0,0|1,0,1]=4 435 B9R0.46 CCSCCNC(=O)CO 240690a_100000106463_100000210174 [0,1,1,0,0,0|1,0,1]=4 436 B9R0.46 CCSCCNC(=O)CO 527a_100000106463_100000210174 [0,1,1,0,0,0|1,0,1]=4 437 B9R0.46 COCCCCC(=O)CO 1458a_100000210174_100000755781 [0,1,1,0,0,0|0,0,2]=4 438 B9R0.46 O=C(CO)CCCCCF 1458a_100000210174_100000729378 [0,1,1,0,0,0|0,0,2]=4 439 B9R0.46 O=C(CO)CCCCCO 1458a_100000210174_100000746330 [0,1,1,0,0,0|0,0,2]=4 440 B9R0.46 O=C(CO)CCOCCO 1458a_100000210174_100011215305 [0,1,1,0,0,0|1,0,1]=4 441 B9R0.47 C=C(C)C(=O)C/C=C\CC 1458a_100000185857_100103147603 [0,1,1,0,0,0|1,0,1]=4 442 B9R0.47 C=C(C)C(=O)CCCCC 1458a_100000185857_100000210326 [0,1,1,0,0,0|1,0,1]=4 443 B9R0.47 C=C(C)C(=O)CCOCC 1458a_100000185857_100011215890 [0,1,1,0,0,0|2,0,0]=4 444 B9R0.47 C=C(C)C(=O)CCSCC 1458a_100000185857_100000757381 [0,1,1,0,0,0|2,0,0]=4 445 B9R0.47 CC/C=C\CC(=O)C(O)O 1458a_100000233687_100103147603 [0,1,1,0,0,0|0,0,2]=4 446 B9R0.47 CC/C=C\CC(=O)[C@@H](C)O 1458a_100000717761_100103147603 [0,1,1,0,0,0|0,0,2]=4 447 B9R0.47 CC/C=C\CC(=O)[C@H](C)O 1458a_217856618621_100103147603 [0,1,1,0,0,0|0,0,2]=4 448 B9R0.47 CCCCCC(=O)C(O)O 1458a_100000233687_100000210326 [0,1,1,0,0,0|0,0,2]=4 449 B9R0.47 CCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210326 [0,1,1,0,0,0|0,0,2]=4 450 B9R0.47 CCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210326 [0,1,1,0,0,0|0,0,2]=4 451 B9R0.47 CCOCCC(=O)C(O)O 1458a_100000233687_100011215890 [0,1,1,0,0,0|1,0,1]=4 452 B9R0.47 CCOCCC(=O)[C@@H](C)O 1458a_100000717761_100011215890 [0,1,1,0,0,0|1,0,1]=4 453 B9R0.47 CCOCCC(=O)[C@H](C)O 1458a_217856618621_100011215890 [0,1,1,0,0,0|1,0,1]=4 454 B9R0.47 CCSCCC(=O)C(O)O 1458a_100000233687_100000757381 [0,1,1,0,0,0|1,0,1]=4 455 B9R0.47 CCSCCC(=O)[C@@H](C)O 1458a_100000717761_100000757381 [0,1,1,0,0,0|1,0,1]=4 456 B9R0.47 CCSCCC(=O)[C@H](C)O 1458a_217856618621_100000757381 [0,1,1,0,0,0|1,0,1]=4 457 B9R0.13 CC[C@@H](NCC=O)C(=O)O 269956a_100000747097_200015260668 [0,1,1,0,0,0|1,0,1]=4 458 B9R1.7 CCOC1CCC(=O)C1 34a_100012614533_100000210202 [1,1,0,0,0,0|0,0,2]=4 459 B9R1.7 CNCC1=CC(=O)OC1 34a_100102657272_100000716558 [1,1,0,0,0,0|1,0,0]=3 460 B9R1.7 CNC[C@@H]1CCC(=O)N1 2230a_106832991635_100015189358 [1,1,0,0,0,0|1,0,1]=4 461 B9R1.7 CNC[C@@H]1CCC(=O)N1 7a_106832991635_100015189358 [1,1,0,0,0,0|1,0,1]=4 462 B9R1.7 CNC[C@H]1CCC(=O)N1 2230a_100015423886_200000210301 [1,1,0,0,0,0|1,0,1]=4 463 B9R1.7 CNC[C@H]1CCC(=O)N1 34a_100015423886_200000210301 [1,1,0,0,0,0|1,0,1]=4 464 B9R1.7 COCC1=CC(=O)OC1 34a_100138415774_100000716558 [1,1,0,0,0,0|1,0,0]=3 465 B9R1.7 COCC1CCC(=O)N1 34a_100000737831_200000210301 [1,1,0,0,0,0|1,0,1]=4 466 B9R1.7 CSCC1=CC(=O)OC1 62a_100000716558_200000210301 [1,1,0,0,0,0|1,0,0]=3 467 B9R1.7 CSCC1=CC(=O)OC1 62a_200000210301_100000716558 [1,1,0,0,0,0|1,0,0]=3 468 B9R1.7 CSC[C@@H]1CCC(=O)N1 62a_100015189358_200000210301 [1,1,0,0,0,0|1,0,1]=4 469 B9R1.7 CSC[C@@H]1CCC(=O)N1 62a_200000210301_100015189358 [1,1,0,0,0,0|1,0,1]=4 470 B9R1.7 [13CH3]NC[C@H]1CCC(=O)N1 2230a_100015423886_200025704644 [1,1,0,0,0,0|1,0,1]=4 471 B9R1.7 [13CH3]NC[C@H]1CCC(=O)N1 34a_100015423886_200025704644 [1,1,0,0,0,0|1,0,1]=4 472 B9R1.7 [13CH3]OCC1CCC(=O)N1 34a_100000737831_200025704644 [1,1,0,0,0,0|1,0,1]=4 473 B9R1.7 [13CH3]SCC1=CC(=O)OC1 62a_100000716558_200025704644 [1,1,0,0,0,0|1,0,0]=3 474 B9R1.7 [13CH3]SCC1=CC(=O)OC1 62a_200025704644_100000716558 [1,1,0,0,0,0|1,0,0]=3 475 B9R1.7 [13CH3]SC[C@@H]1CCC(=O)N1 62a_100015189358_200025704644 [1,1,0,0,0,0|1,0,1]=4 476 B9R1.7 [13CH3]SC[C@@H]1CCC(=O)N1 62a_200025704644_100015189358 [1,1,0,0,0,0|1,0,1]=4 477 B9R1.27 CCc1c(cnn1C)O 271570a_203496583355_200010713286 [1,1,0,0,0,0|2,0,0]=4 478 B9R1.33 CNCc1cscc1O 271570a_203496583355_100011935083 [1,1,0,0,0,0|1,0,1]=4 479 B9R1.33 CNCc1sccc1O 271570a_203496583355_100000767120 [1,1,0,0,0,0|1,0,1]=4 480 B9R1.41 CC(C)c1[nH]ncc1O 271570a_203496583355_100000690187 [1,1,0,0,0,0|2,0,0]=4 481 B11R1.265 CCc1occc(=O)c1OC 34a_100000033269_200000210301 [0,1,0,0,0,1|0,0,2]=4 482 B11R1.265 CCc1occc(=O)c1O[13CH3] 34a_100000033269_200025704644 [0,1,0,0,0,1|0,0,2]=4 483 B11R1.81 CCNC1CCC(=O)NC1=O 2230a_100000691121_100000210202 [0,1,0,0,0,1|0,0,2]=4 484 B11R1.81 CCNC1CCC(=O)NC1=O 2230a_100015525214_100000694648 [0,1,0,0,0,1|0,0,2]=4 485 B11R1.81 CCNC1CCC(=O)NC1=O 34a_100000691121_100000210202 [0,1,0,0,0,1|0,0,2]=4 486 B11R1.81 CCSC1CCC(=O)NC1=O 62a_100000210202_100000694648 [0,1,0,0,0,1|0,0,2]=4 487 B11R1.81 CCSC1CCC(=O)NC1=O 62a_100000694648_100000210202 [0,1,0,0,0,1|0,0,2]=4 488 B11R1.464 CCc1c([nH]c(=O)[nH]c1=O)O 271570a_203496583355_100000080397 [0,1,0,0,0,1|1,0,1]=4 489 B11R1.192 CCSc1c[nH]c(=O)c(c1)O 62a_100000210202_100009814561 [0,1,0,0,0,1|1,0,1]=4 490 B11R1.212 CCNN=C1CCC(=C1Br)O 4a_100000756455_100010638131 [0,2,0,0,0,0|1,0,1]=4 491 B11R1.212 CCNN=C1CCC(=C1C)C 4a_100000756455_100000033019 [0,2,0,0,0,0|2,0,0]=4 492 B11R1.212 CCNN=C1CCC(=C1O)C 4a_100000756455_100000031406 [0,2,0,0,0,0|1,0,0]=3 493 B11R1.212 CCNN=C1COC(=C1O)C 4a_100000756455_100000067015 [0,2,0,0,0,0|2,0,0]=4 494 B9R1.11 CCC(=O)C1=CCCC1 1458a_100000038896_100000210202 [0,0,1,1,0,0|1,0,0]=3 495 B9R1.11 CCC(=O)C1=CCOC1 1458a_100000139269_100000210202 [0,0,1,1,0,0|2,0,0]=4 496 B9R1.11 CCC(=O)C1=COCC1 1458a_100000750620_100000210202 [0,0,1,1,0,0|2,0,0]=4 497 B9R1.11 CCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000210202 [0,0,1,1,0,0|0,0,2]=4 498 B9R1.11 CNC(=O)C1=CCCC1 11a_106832991635_100000038896 [0,0,1,1,0,0|2,0,0]=4 499 B9R1.11 CNC(=O)C1=CCCC1 1626a_100102657272_100000038896 [0,0,1,1,0,0|2,0,0]=4 500 B9R1.11 CNC(=O)C1=CCCC1 240690a_100102657272_100000038896 [0,0,1,1,0,0|2,0,0]=4 501 B9R1.11 O=C(CF)C1=CCCC1 1458a_100000038896_100015361967 [0,0,1,1,0,0|2,0,0]=4 502 B9R1.186 CCC(=O)C1(CCC1)O 1458a_100000242746_100000210202 [0,0,1,1,0,0|0,0,2]=4 503 B9R1.79 C=CC(=O)CC1CCC1 1458a_100000185746_100000763275 [0,0,1,1,0,0|1,0,1]=4 504 B9R1.79 C=CC(=O)CC1CCO1 1458a_100000185746_100000103362 [0,0,1,1,0,0|2,0,0]=4 505 B9R1.79 O=C(CO)CC1CCC1 1458a_100000210174_100000763275 [0,0,1,1,0,0|0,0,2]=4 506 B9R1.79 O=C(CO)CC1CCO1 1458a_100000210174_100000103362 [0,0,1,1,0,0|1,0,1]=4 507 B9R1.80 C=CC(=O)CCC1CC1 1458a_100000185746_100000694398 [0,0,1,1,0,0|1,0,1]=4 508 B9R1.80 O=C(CO)CCC1CC1 1458a_100000210174_100000694398 [0,0,1,1,0,0|0,0,2]=4 509 B7R1.8 CNC1CCC1=O 34a_100102657272_100009892977 [1,0,0,0,1,0|1,0,1]=4 510 B7R1.8 CNC1CCC1=O 7a_106832991635_100009892977 [1,0,0,0,1,0|1,0,1]=4 511 B7R1.8 COC1CCC1=O 34a_100138415774_100009892977 [1,0,0,0,1,0|1,0,1]=4 512 B7R1.8 CSC1CCC1=O 62a_100009892977_200000210301 [1,0,0,0,1,0|1,0,1]=4 513 B7R1.8 CSC1CCC1=O 62a_200000210301_100009892977 [1,0,0,0,1,0|1,0,1]=4 514 B7R1.8 [13CH3]SC1CCC1=O 62a_100009892977_200025704644 [1,0,0,0,1,0|1,0,1]=4 515 B7R1.8 [13CH3]SC1CCC1=O 62a_200025704644_100009892977 [1,0,0,0,1,0|1,0,1]=4 516 B9R0.42 CCC(=O)CC(=O)C(=O)C 1458a_100000210414_100011261029 [0,0,1,0,0,1|1,0,1]=4 517 B9R0.42 CCC(C)NC(=O)C(=O)C 1458a_200011297154_200000210301 [0,0,1,0,0,1|0,0,2]=4 518 B9R0.42 CCC(C)NC(=O)C(=O)[13CH3] 1458a_200011297154_200025704644 [0,0,1,0,0,1|0,0,2]=4 519 B9R0.42 CCN(C)CC(=O)C(=O)C 269982a_100000225621_100011261029 [0,0,1,0,0,1|1,0,1]=4