0 B8R0.1 C#CCCC(=O)OCC MC424003 [0,0,0,0,0,0|1,0,1]=2 1 B8R0.1 CCOC(=O)CCCO MC111642 [0,0,0,0,0,0|2,0,0]=2 2 B8R0.1 CCOC(=O)CN=C=O MC41055 [0,0,0,0,0,0|3,0,0]=3 3 B8R0.1 CCOC(=O)\C=C\C=O CS11394 [0,0,0,0,0,0|2,0,2]=4 4 B8R0.1 CCOC(=O)\C=C\CO MC103341 [0,0,0,0,0,0|2,0,2]=4 5 B7R0.3 C#CCCC(=O)OC MC424002 [1,0,0,0,0,0|1,0,1]=3 6 B7R0.3 COC(=O)CCC=O MC21172 [1,0,0,0,0,0|2,0,0]=3 7 B7R0.3 COC(=O)CCCBr MC427387 [1,0,0,0,0,0|2,0,0]=3 8 B7R0.3 COC(=O)CCCN MC439309 [1,0,0,0,0,0|2,0,0]=3 9 B7R0.3 COC(=O)CN=[N+]=[N-] MC428311 [1,0,0,0,0,0|3,0,0]=4 10 B7R0.3 COCCC(=O)NN MC111753 [1,0,0,0,0,0|2,1,0]=4 11 B7R0.3 CO\C=C\C(=O)OC CS11630 [1,0,0,0,0,0|0,1,2]=4 12 B7R0.3 CSCCC(N)CO MC437961 [1,0,0,0,0,0|2,0,1]=4 13 B7R0.7 CC#CC(=O)OCC CS10117 [1,0,0,0,0,0|0,0,2]=3 14 B7R0.7 CCOC(=O)CC#N MC41911 [1,0,0,0,0,0|1,0,1]=3 15 B7R0.7 CCOC(=O)CCN CS14330 [1,0,0,0,0,0|1,0,0]=2 16 B7R0.7 CCOC(=O)CNC CS17068 [1,0,0,0,0,0|1,0,0]=2 17 B7R0.7 CCOC(=O)CNN CS19987 [1,0,0,0,0,0|2,0,0]=3 18 B7R0.7 CCOC(=O)COC CS11389 [1,0,0,0,0,0|0,1,0]=2 19 B7R0.7 O=C(CCCl)CCCl CS19912 [1,0,0,0,0,0|3,0,0]=4 20 B9R0.5 CCOC(=O)CCCCBr CS13726 [0,1,0,0,0,0|1,0,0]=2 21 B9R0.5 CCOC(=O)CCCCN CS14354 [0,1,0,0,0,0|1,0,0]=2 22 B9R0.5 CCOC(=O)CNCCN MC436180 [0,1,0,0,0,0|2,0,0]=3 23 B9R0.5 CCO\C=C\C(=O)OCC MC20656 [0,1,0,0,0,0|0,1,2]=4 24 B9R0.5 C\C=C\C=C\C(=O)OCC MC446660 [0,1,0,0,0,0|1,0,2]=4 25 B9R0.18 O=C(CCCCl)CCCCl CS14305 [0,1,0,0,0,0|3,0,0]=4 26 B9R0.34 CCOC(=O)CC(=O)CBr CS13599 [0,1,0,0,0,0|2,0,1]=4 27 B9R0.34 CCOC(=O)CC(=O)CC CS11391 [0,1,0,0,0,0|1,0,1]=3 28 B9R0.34 CCOC(=O)CC(=O)CN MC116410 [0,1,0,0,0,0|2,0,1]=4 29 B9R0.34 CCOC(=O)CC(=O)NC MC106824 [0,1,0,0,0,0|1,0,1]=3 30 B9R0.34 CCOC(=O)CC(=O)NN MC33013 [0,1,0,0,0,0|2,0,1]=4 31 B9R0.35 CCCC(=O)C(=O)OCC CS14582 [0,1,0,0,0,0|1,0,1]=3 32 B9R0.35 CCCC(N)C(=O)OCC MC439184 [0,1,0,0,0,0|1,0,0]=2 33 B9R0.35 CCOC(=N)C(=O)OCC CS13440 [0,1,0,0,0,0|2,0,1]=4 34 B9R0.35 CCOC(=O)C(=O)OCC MC41888 [0,1,0,0,0,0|2,0,1]=4 35 B9R0.48 CCOC(=O)CCC(=O)Cl MC40471 [0,1,0,0,0,0|2,0,0]=3 36 B9R0.48 CCOC(=O)CCC(=O)O CS11693 [0,1,0,0,0,0|2,0,0]=3 37 B9R0.48 CCOC(=O)CC[N+](=O)[O-] MC442447 [0,1,0,0,0,0|2,0,0]=3 38 B9R0.48 CCOC(=O)CNC(C)=O MC439004 [0,1,0,0,0,0|2,0,0]=3 39 B9R1.2 NCC1CCNC(=O)C1 MC101902 [0,0,0,1,0,0|3,0,0]=4 40 B9R1.2 NCC1CCNC(=O)C1 MC102333 [0,0,0,1,0,0|3,0,0]=4 41 B9R1.2 O=C1CC(CO)CCN1 MC444199 [0,0,0,1,0,0|3,0,0]=4 42 B9R1.7 CCOC1=CC(=O)CC1 MC425592 [0,0,0,1,0,0|3,0,0]=4 43 B9R1.15 CCC1CNCCC1=O CS17950 [0,0,0,1,0,0|2,0,0]=3 44 B9R1.33 COCC1CCCC1=O MC106167 [0,0,0,1,0,0|1,1,0]=3 45 B9R1.49 CN1CCCC(=O)CC1 CS13899 [0,0,0,1,0,0|2,0,0]=3 46 B9R1.50 O=C1CCCCCCN1 CS21316 [0,0,0,1,0,0|2,0,0]=3 47 B9R1.73 CCOC(=O)C1CCC1 MC41840 [0,0,0,1,0,0|1,0,0]=2 48 B9R1.73 CCOC(=O)C1CNC1 CS11347 [0,0,0,1,0,0|1,0,0]=2 49 B9R1.183 CCOC(=O)C1CC1Br MC430633 [0,0,0,1,0,0|2,0,0]=3 50 B9R1.183 CCOC(=O)C1CC1F MC425315 [0,0,0,1,0,0|2,0,0]=3 51 B6R0.1 C#CC(=O)OCC MC434052 [2,0,0,0,0,0|0,0,2]=4 52 B6R0.1 CCCC(=O)NN CS22544 [2,0,0,0,0,0|2,0,0]=4 53 B6R0.1 CCNC(=O)NC MC428152 [2,0,0,0,0,0|2,0,0]=4 54 B6R0.1 CCOC(=O)CBr MC41907 [2,0,0,0,0,0|1,0,0]=3 55 B6R0.1 CCOC(=O)CCl MC41910 [2,0,0,0,0,0|1,0,0]=3 56 B6R0.1 CCOC(=O)CN CS15347 [2,0,0,0,0,0|1,0,0]=3 57 B6R0.1 CCOC(=O)CO CS11386 [2,0,0,0,0,0|0,1,0]=3 58 B6R0.1 CCOC(=O)NN CS11383 [2,0,0,0,0,0|2,0,0]=4 59 B6R0.1 CNC(=O)CCN MC112263 [2,0,0,0,0,0|2,0,0]=4 60 B6R0.1 CNCC(=O)OC MC438154 [2,0,0,0,0,0|1,0,0]=3 61 B6R0.1 COC(=O)CC#N MC428339 [2,0,0,0,0,0|1,0,1]=4 62 B6R0.1 COC(=O)CCBr CS18993 [2,0,0,0,0,0|1,0,0]=3 63 B6R0.1 COC(=O)CCN CS22266 [2,0,0,0,0,0|1,0,0]=3 64 B6R0.1 C\C=C\C(=O)OC MC41953 [2,0,0,0,0,0|0,0,2]=4 65 B6R0.4 C#CCCC(=O)O MC428029 [2,0,0,0,0,0|1,0,1]=4 66 B6R0.4 C=CCCC(=O)O CS15216 [2,0,0,0,0,0|1,0,1]=4 67 B6R0.4 CC(=O)CCCBr CS10305 [2,0,0,0,0,0|2,0,0]=4 68 B6R0.4 CC(=O)CCCCl CS10334 [2,0,0,0,0,0|2,0,0]=4 69 B6R0.4 CCCCC(=O)Cl MC40508 [2,0,0,0,0,0|2,0,0]=4 70 B6R0.4 N#CCCC(=O)O CS22262 [2,0,0,0,0,0|2,0,0]=4 71 B6R0.4 NCCCC(=O)O CS14998 [2,0,0,0,0,0|2,0,0]=4 72 B6R0.4 O=C(O)CCCBr CS14053 [2,0,0,0,0,0|2,0,0]=4 73 B8R0.4 CCCCCOCCO MC437002 [1,1,0,0,0,0|1,0,1]=4 74 B8R0.3 C#CCC(N)C(=O)OC MC438113 [1,1,0,0,0,0|1,0,1]=4 75 B8R0.3 CCCC(N)C(=O)OC MC438026 [1,1,0,0,0,0|1,0,0]=3 76 B8R0.3 COC(=O)C(Br)CCBr MC41887 [1,1,0,0,0,0|2,0,0]=4 77 B8R0.9 COC(=O)CCC(=O)O CS11694 [1,1,0,0,0,0|2,0,0]=4 78 B8R0.9 COC(=O)CCS(=O)[O-] CS11954 [1,1,0,0,0,0|1,0,1]=4 79 B8R0.19 CCC(=O)CC(=O)CC CS22007 [1,1,0,0,0,0|1,0,1]=4 80 B8R0.19 CCC(=O)CC(=O)OC CS18389 [1,1,0,0,0,0|0,1,1]=4 81 B8R0.19 COC(=O)CC(O)CCl CS18252 [1,1,0,0,0,0|2,0,0]=4 82 B8R0.5 CC(C)OC(=O)OCCl CS19003 [1,1,0,0,0,0|2,0,0]=4 83 B8R0.5 CCOC(=O)C=C(C)C CS11345 [1,1,0,0,0,0|0,0,2]=4 84 B8R0.5 CCOC(=O)CC(=N)N MC41916 [1,1,0,0,0,0|1,0,1]=4 85 B8R0.5 CCOC(=O)CC(=O)Cl MC20855 [1,1,0,0,0,0|0,1,1]=4 86 B8R0.5 CCOC(=O)CC(C)=O MC41905 [1,1,0,0,0,0|0,0,1]=3 87 B8R0.5 CCOC(=O)CC(C)O CS11353 [1,1,0,0,0,0|0,0,0]=2 88 B8R0.5 CCOC(=O)CC(C)O CS18545 [1,1,0,0,0,0|0,0,0]=2 89 B8R0.5 CCOC(=O)CC(N)=O CS18301 [1,1,0,0,0,0|0,1,1]=4 90 B8R0.5 CCOC(=O)C[N+](=O)[O-] CS22612 [1,1,0,0,0,0|1,1,0]=4 91 B8R0.5 CCOC(=O)OC(C)Cl CS20668 [1,1,0,0,0,0|1,0,0]=3 92 B8R0.5 CCOC(=O)\C=C(/C)N CS15795 [1,1,0,0,0,0|0,0,2]=4 93 B10R0.28 CC(C)(C)OC(=O)CCCBr CS11971 [0,2,0,0,0,0|2,0,0]=4 94 B10R0.28 CC(C)(C)OC(=O)CCCN CS11452 [0,2,0,0,0,0|2,0,0]=4 95 B10R0.32 CCOC(=O)C(=O)CC(C)C CS15204 [0,2,0,0,0,0|1,0,1]=4 96 B10R0.32 CCOC(=O)C(N)CC(C)C CS14067 [0,2,0,0,0,0|1,0,0]=3 97 B10R0.32 CCOC(=O)C(N)CC(C)C MC439260 [0,2,0,0,0,0|1,0,0]=3 98 B10R0.1 CCOC(=O)CNCCC#N MC106977 [0,2,0,0,0,0|1,0,1]=4 99 B10R0.2 CCOC(=N)CC(=O)OCC CS19628 [0,2,0,0,0,0|0,1,1]=4 100 B10R0.2 CCOC(=O)CC(=O)COC MC418491 [0,2,0,0,0,0|0,1,0]=3 101 B10R0.2 CCOC(=O)CC(=O)OCC MC445194 [0,2,0,0,0,0|0,1,1]=4 102 B10R0.2 CCOC(=O)CC(O)CC#N CS19605 [0,2,0,0,0,0|1,0,1]=4 103 B10R0.2 CCOC(=O)CC(O)CC#N MC20928 [0,2,0,0,0,0|1,0,1]=4 104 B10R0.19 CCCCC(=O)C(=O)OCC CS11379 [0,2,0,0,0,0|1,0,0]=3 105 B10R0.19 CCOC(=O)C(N)CCSC MC437953 [0,2,0,0,0,0|0,0,0]=2 106 B10R0.19 CCOC(=O)C(N)CCSC MC437954 [0,2,0,0,0,0|0,0,0]=2 107 B10R0.19 CCOC(=O)C(N)CCSC MC439231 [0,2,0,0,0,0|0,0,0]=2 108 B10R0.108 CCOC(=O)CNC(=O)CN MC439365 [0,2,0,0,0,0|2,0,0]=4 109 B10R0.26 CCOC(=O)CC(=O)C(C)C CS20529 [0,2,0,0,0,0|1,0,1]=4 110 B10R0.26 CCOC(=O)CN(C)C(C)=O MC106401 [0,2,0,0,0,0|2,0,0]=4 111 B10R0.33 CCOC(=O)C(C#N)CC#N CS11326 [0,2,0,0,0,0|2,0,0]=4 112 B10R0.109 CCOC(=O)CCC(C)(C)N MC112460 [0,2,0,0,0,0|1,0,0]=3 113 B8R1.2 CNC1CCOCC1 CS15192 [1,0,0,1,0,0|1,0,1]=4 114 B8R1.2 CSC1CCNCC1 MC444359 [1,0,0,1,0,0|1,0,1]=4 115 B8R1.49 C1=CCCCCCC1 MC445004 [1,0,0,1,0,0|2,0,0]=4 116 B8R1.1 O=C1CC(CF)CO1 MC10217 [1,0,0,1,0,0|2,0,0]=4 117 B8R1.3 C=C1CCC(=O)CC1 MC106742 [1,0,0,1,0,0|1,0,1]=4 118 B8R1.3 C=C1CCC(C)CC1 MC105701 [1,0,0,1,0,0|2,0,0]=4 119 B8R1.3 CN1CCC(=O)CC1 CS18410 [1,0,0,1,0,0|1,0,0]=3 120 B8R1.3 NC1CCC(=O)CC1 CS22583 [1,0,0,1,0,0|2,0,0]=4 121 B8R1.3 O=C1CCC(=O)CC1 CS19236 [1,0,0,1,0,0|2,0,0]=4 122 B8R1.3 O=C1CCC(O)CC1 CS22889 [1,0,0,1,0,0|2,0,0]=4 123 B8R1.38 COC(=O)C1CNC1 CS13402 [1,0,0,1,0,0|1,0,0]=3 124 B8R1.38 COC(=O)C1COC1 MC100370 [1,0,0,1,0,0|0,1,0]=3 125 B8R1.50 CC1C(=O)CCC1=O CS21655 [1,0,0,1,0,0|2,0,0]=4 126 B8R1.83 COC(=O)C1CC1Br MC430638 [1,0,0,1,0,0|2,0,0]=4 127 B8R1.4 CC1CC(=O)CCN1 MC101989 [1,0,0,1,0,0|2,0,0]=4 128 B8R1.4 CC1CC(=O)CCN1 MC103769 [1,0,0,1,0,0|2,0,0]=4 129 B8R1.4 CC1CC(=O)CCN1 MC444193 [1,0,0,1,0,0|2,0,0]=4 130 B8R1.4 CC1CC(=O)CCO1 MC103799 [1,0,0,1,0,0|1,1,0]=4 131 B8R1.4 CC1CC(=O)CCO1 MC103800 [1,0,0,1,0,0|1,1,0]=4 132 B8R1.4 CC1CC(=O)CCO1 MC31001 [1,0,0,1,0,0|1,1,0]=4 133 B8R1.4 CC1CNCC(=O)N1 MC103795 [1,0,0,1,0,0|2,0,0]=4 134 B8R1.4 CC1CNCC(=O)N1 MC104244 [1,0,0,1,0,0|2,0,0]=4 135 B8R1.4 CC1CNCC(=O)N1 MC444027 [1,0,0,1,0,0|2,0,0]=4 136 B8R1.4 CN1CCNC(=O)C1 CS13438 [1,0,0,1,0,0|2,0,0]=4 137 B8R1.4 CN1CCOC(=O)C1 CS17566 [1,0,0,1,0,0|1,0,0]=3 138 B8R1.4 NC1CCNC(=O)C1 CS15459 [1,0,0,1,0,0|2,0,0]=4 139 B8R1.4 NC1CCNC(=O)C1 MC444313 [1,0,0,1,0,0|2,0,0]=4 140 B8R1.4 O=C1CCCC(=O)O1 CS11243 [1,0,0,1,0,0|1,0,1]=4 141 B8R1.18 CC1CC(=O)OC1=O MC440511 [1,0,0,1,0,0|1,0,1]=4 142 B8R1.18 CC1CC(S)C(C)O1 MC115503 [1,0,0,1,0,0|1,0,1]=4 143 B10R1.10 CCCC1CCCC(=O)C1 MC106166 [0,1,0,1,0,0|2,0,0]=4 144 B10R1.10 COCC1CCCC(=O)C1 MC106177 [0,1,0,1,0,0|1,1,0]=4 145 B10R1.11 CCNC(=O)C1CCCN1 MC438120 [0,1,0,1,0,0|2,0,0]=4 146 B10R1.11 CCNC(=O)C1CCCN1 MC438121 [0,1,0,1,0,0|2,0,0]=4 147 B10R1.11 CCOC(=O)C1CC=NN1 CS16648 [0,1,0,1,0,0|2,0,0]=4 148 B10R1.11 CCOC(=O)C1CCNC1 CS13485 [0,1,0,1,0,0|1,0,0]=3 149 B10R1.11 CCOC(=O)C1CCOC1 MC106751 [0,1,0,1,0,0|0,1,0]=3 150 B10R1.135 CCOC(=O)C1CC1CBr MC116546 [0,1,0,1,0,0|1,0,0]=3 151 B10R1.135 CCOC(=O)C1CC1CN MC113380 [0,1,0,1,0,0|1,0,0]=3 152 B10R1.135 CCOC(=O)C1CC1CO MC113389 [0,1,0,1,0,0|1,0,0]=3 153 B10R1.137 CCOC(=O)C=C1COC1 MC425331 [0,1,0,1,0,0|0,1,1]=4 154 B10R1.137 CCOC(=O)CC1COC1 MC425339 [0,1,0,1,0,0|0,1,0]=3 155 B10R1.149 COC(=O)C1CCOC1=O MC431311 [0,1,0,1,0,0|0,1,1]=4 156 B10R1.140 CCOC(=O)C1CC(=O)C1 CS15362 [0,1,0,1,0,0|1,0,0]=3 157 B10R1.140 CCOC(=O)C1CC(O)C1 MC103673 [0,1,0,1,0,0|1,0,0]=3 158 B10R1.140 CCOC(=O)C1CC(O)C1 MC425137 [0,1,0,1,0,0|1,0,0]=3 159 B10R1.212 CCOC(=O)C(Br)C1CC1 MC429049 [0,1,0,1,0,0|1,0,0]=3 160 B10R1.400 CCOC(=O)C1CC1(F)Cl MC425295 [0,1,0,1,0,0|2,0,0]=4 161 B10R1.400 CCOC(=O)C1NC1(C)C CS16735 [0,1,0,1,0,0|2,0,0]=4 162 B10R2.41 O=C1C2CCC1CNC2 MC102102 [0,0,0,2,0,0|2,0,0]=4