0 B7R0.7 CC#CC(=O)OCC CS10117 [0,0,0,0,0,0|0,0,2]=2 1 B7R0.7 CCOC(=O)CC#N MC41911 [0,0,0,0,0,0|1,0,2]=3 2 B7R0.7 CCOC(=O)CCN CS14330 [0,0,0,0,0,0|1,0,2]=3 3 B7R0.7 CCOC(=O)CNC CS17068 [0,0,0,0,0,0|1,0,1]=2 4 B7R0.7 CCOC(=O)CNN CS19987 [0,0,0,0,0,0|2,0,1]=3 5 B7R0.7 CCOC(=O)COC CS11389 [0,0,0,0,0,0|1,0,1]=2 6 B6R0.1 C#CC(=O)OCC MC434052 [1,0,0,0,0,0|0,0,2]=3 7 B6R0.1 CCCC(=O)NN CS22544 [1,0,0,0,0,0|3,0,0]=4 8 B6R0.1 CCNC(=O)NC MC428152 [1,0,0,0,0,0|2,0,0]=3 9 B6R0.1 CCOC(=O)CBr MC41907 [1,0,0,0,0,0|1,0,1]=3 10 B6R0.1 CCOC(=O)CCl MC41910 [1,0,0,0,0,0|1,0,1]=3 11 B6R0.1 CCOC(=O)CN CS15347 [1,0,0,0,0,0|1,0,1]=3 12 B6R0.1 CCOC(=O)CO CS11386 [1,0,0,0,0,0|1,0,1]=3 13 B6R0.1 CCOC(=O)NN CS11383 [1,0,0,0,0,0|2,0,0]=3 14 B6R0.1 CNC(=O)CCN MC112263 [1,0,0,0,0,0|3,0,0]=4 15 B6R0.1 CNCC(=O)OC MC438154 [1,0,0,0,0,0|1,0,1]=3 16 B6R0.1 COC(=O)C#CBr MC427266 [1,0,0,0,0,0|1,0,2]=4 17 B6R0.1 COC(=O)CC#N MC428339 [1,0,0,0,0,0|1,0,2]=4 18 B6R0.1 COC(=O)CCBr CS18993 [1,0,0,0,0,0|1,0,2]=4 19 B6R0.1 COC(=O)CCN CS22266 [1,0,0,0,0,0|1,0,2]=4 20 B6R0.1 COC(=O)\C=C\I MC20613 [1,0,0,0,0,0|1,0,0]=2 21 B6R0.1 C\C=C\C(=O)OC MC41953 [1,0,0,0,0,0|0,0,0]=1 22 B8R0.1 C#CCCC(=O)OCC MC424003 [0,1,0,0,0,0|0,0,3]=4 23 B8R0.1 CCOC(=O)CCCO MC111642 [0,1,0,0,0,0|0,0,2]=3 24 B8R0.1 CCOC(=O)CN=C=O MC41055 [0,1,0,0,0,0|1,0,2]=4 25 B8R0.1 CCOC(=O)\C=C\C=O CS11394 [0,1,0,0,0,0|0,0,1]=2 26 B8R0.1 CCOC(=O)\C=C\CO MC103341 [0,1,0,0,0,0|0,0,0]=1 27 B8R0.3 C=C(CBr)C(=O)OCC CS11325 [0,1,0,0,0,0|1,0,1]=3 28 B8R0.3 C=C(CO)C(=O)OCC CS20908 [0,1,0,0,0,0|1,0,1]=3 29 B8R0.3 CCNC(=O)C(N)CC MC116564 [0,1,0,0,0,0|1,0,2]=4 30 B8R0.3 CCNC(=O)C(N)CC MC116565 [0,1,0,0,0,0|1,0,2]=4 31 B8R0.3 CCOC(=O)C(=O)CBr CS18430 [0,1,0,0,0,0|1,0,1]=3 32 B8R0.3 CCOC(=O)C(=O)CC CS13439 [0,1,0,0,0,0|0,0,1]=2 33 B8R0.3 CCOC(=O)C(=O)NN CS13814 [0,1,0,0,0,0|2,0,0]=3 34 B8R0.3 CCOC(=O)C(C)C#N CS21515 [0,1,0,0,0,0|1,0,2]=4 35 B8R0.3 CCOC(=O)C(Cl)C=O MC444619 [0,1,0,0,0,0|1,0,1]=3 36 B8R0.3 CCOC(=O)C(N)C#N MC425578 [0,1,0,0,0,0|1,0,2]=4 37 B8R0.3 CCOC(=O)C(N)CO CS13449 [0,1,0,0,0,0|1,0,2]=4 38 B8R0.3 CCOC(=O)C(N)CO CS17107 [0,1,0,0,0,0|1,0,2]=4 39 B8R0.3 CCOC(=O)C(N)CO MC439193 [0,1,0,0,0,0|1,0,2]=4 40 B8R0.3 CCOC(=O)C(N)CS CS16176 [0,1,0,0,0,0|1,0,2]=4 41 B8R0.3 CCOC(=O)\C(Cl)=N/O CS16217 [0,1,0,0,0,0|2,0,0]=3 42 B8R0.5 CC(C)OC(=O)OCCl CS19003 [0,1,0,0,0,0|2,0,1]=4 43 B8R0.5 CCOC(=O)C=C(C)C CS11345 [0,1,0,0,0,0|0,0,0]=1 44 B8R0.5 CCOC(=O)CC(=N)N MC41916 [0,1,0,0,0,0|1,0,1]=3 45 B8R0.5 CCOC(=O)CC(=O)Cl MC20855 [0,1,0,0,0,0|1,0,1]=3 46 B8R0.5 CCOC(=O)CC(C)=O MC41905 [0,1,0,0,0,0|0,0,1]=2 47 B8R0.5 CCOC(=O)CC(C)O CS11353 [0,1,0,0,0,0|0,0,2]=3 48 B8R0.5 CCOC(=O)CC(C)O CS18545 [0,1,0,0,0,0|0,0,2]=3 49 B8R0.5 CCOC(=O)CC(N)=O CS18301 [0,1,0,0,0,0|1,0,1]=3 50 B8R0.5 CCOC(=O)C[N+](=O)[O-] CS22612 [0,1,0,0,0,0|2,0,1]=4 51 B8R0.5 CCOC(=O)OC(C)Cl CS20668 [0,1,0,0,0,0|1,0,1]=3 52 B8R0.5 CCOC(=O)\C=C(/C)N CS15795 [0,1,0,0,0,0|0,0,0]=1 53 B8R1.4 CC1=CC(=O)NN=C1 CS10446 [0,0,0,1,0,0|2,0,1]=4 54 B8R1.4 CC1=CC(O)CCC1 MC111652 [0,0,0,1,0,0|1,0,2]=4 55 B8R1.4 CC1=CC=CC(=O)N1 CS19499 [0,0,0,1,0,0|1,0,2]=4 56 B8R1.4 CC1=NC=CC(=O)N1 CS22425 [0,0,0,1,0,0|2,0,1]=4 57 B8R1.4 CC1CNCC(=O)N1 MC103795 [0,0,0,1,0,0|2,0,1]=4 58 B8R1.4 CC1CNCC(=O)N1 MC104244 [0,0,0,1,0,0|2,0,1]=4 59 B8R1.4 CC1CNCC(=O)N1 MC444027 [0,0,0,1,0,0|2,0,1]=4 60 B8R1.4 CN1CCNC(=O)C1 CS13438 [0,0,0,1,0,0|2,0,1]=4 61 B8R1.4 CN1CCOC(=O)C1 CS17566 [0,0,0,1,0,0|1,0,1]=3 62 B8R1.4 O=C1CCCC(=O)C1 CS19094 [0,0,0,1,0,0|2,0,1]=4 63 B8R1.4 O=C1CCCC(=O)O1 CS11243 [0,0,0,1,0,0|3,0,0]=4 64 B8R1.4 O=C1CCNC(=O)C1 CS18339 [0,0,0,1,0,0|2,0,1]=4 65 B8R1.11 CCN1N=CC=C1N MC444111 [0,0,0,1,0,0|3,0,0]=4 66 B8R1.18 CC1=C(C)OC(=O)O1 CS18029 [0,0,0,1,0,0|1,0,1]=3 67 B8R1.18 CC1=CC(=O)OC1O CS22773 [0,0,0,1,0,0|1,0,0]=2 68 B8R1.18 CC1=CC(C)=NN1C CS19810 [0,0,0,1,0,0|3,0,0]=4 69 B8R1.18 CC1=CC(N)=NN1C CS13792 [0,0,0,1,0,0|3,0,0]=4 70 B8R1.18 CC1CC(=O)OC1=O MC440511 [0,0,0,1,0,0|3,0,0]=4 71 B8R1.18 CC1NC(=O)OC1=O CS17248 [0,0,0,1,0,0|3,0,0]=4 72 B8R1.18 CC1NC(=O)OC1=O MC428306 [0,0,0,1,0,0|3,0,0]=4 73 B8R1.18 O=C1C=C(Br)C(=O)O1 MC444615 [0,0,0,1,0,0|2,0,1]=4 74 B8R1.18 O=C1C=C(Cl)C(O)O1 MC103260 [0,0,0,1,0,0|2,0,0]=3 75 B5R0.1 CC#CC(=O)O MC20776 [2,0,0,0,0,0|0,0,2]=4 76 B5R0.1 CC(=O)\C=N\O CS11520 [2,0,0,0,0,0|2,0,0]=4 77 B5R0.1 CC(=O)\C=N\O CS18968 [2,0,0,0,0,0|2,0,0]=4 78 B5R0.1 CCCC(C)=O CS21731 [2,0,0,0,0,0|1,0,0]=3 79 B5R0.1 CCOC(=N)N CS11818 [2,0,0,0,0,0|2,0,0]=4 80 B5R0.1 CNCC(=O)O CS18595 [2,0,0,0,0,0|1,0,1]=4 81 B5R0.1 COCC(=O)O CS11579 [2,0,0,0,0,0|1,0,1]=4 82 B5R0.1 C\C=C\B(O)O MC116392 [2,0,0,0,0,0|1,0,1]=4 83 B5R0.1 C\C=C\C(=O)O MC41882 [2,0,0,0,0,0|0,0,0]=2 84 B5R0.3 CNC(=O)CCl MC21094 [2,0,0,0,0,0|2,0,0]=4 85 B5R0.3 CNC(=O)CN MC437710 [2,0,0,0,0,0|2,0,0]=4 86 B5R0.3 COC(=O)CN CS15045 [2,0,0,0,0,0|1,0,1]=4 87 B5R0.3 COC(=O)CO CS19433 [2,0,0,0,0,0|1,0,1]=4 88 B5R0.3 COC(=O)CS MC20578 [2,0,0,0,0,0|1,0,1]=4 89 B5R0.3 COC(=O)NN MC20825 [2,0,0,0,0,0|2,0,0]=4 90 B5R0.3 O=CC(=O)CO MC427604 [2,0,0,0,0,0|2,0,0]=4 91 B7R0.2 CC(=O)\C=C(\C)O[Rh] MC445002 [1,1,0,0,0,0|2,0,0]=4 92 B7R0.2 CC(C)OC(=O)CO CS11522 [1,1,0,0,0,0|1,0,1]=4 93 B7R0.2 CCC(=O)CC(C)=O CS21124 [1,1,0,0,0,0|0,0,1]=3 94 B7R0.2 CCC(=O)OC(C)=O CS16382 [1,1,0,0,0,0|1,0,0]=3 95 B7R0.2 COC(=O)CC(=O)O CS13436 [1,1,0,0,0,0|1,0,1]=4 96 B7R0.2 COC(=O)CC(=O)[O-] MC41937 [1,1,0,0,0,0|1,0,1]=4 97 B7R0.2 COC(=O)CC(C)=O MC41927 [1,1,0,0,0,0|0,0,1]=3 98 B7R0.2 COC(=O)CC(C)O CS11584 [1,1,0,0,0,0|0,0,2]=4 99 B7R0.2 COC(=O)\C=C(/C)N CS13690 [1,1,0,0,0,0|0,0,0]=2 100 B7R0.3 COC(=O)CCC=O MC21172 [1,1,0,0,0,0|1,0,1]=4 101 B7R0.3 COC(=O)CCCBr MC427387 [1,1,0,0,0,0|0,0,2]=4 102 B7R0.3 COC(=O)CCCN MC439309 [1,1,0,0,0,0|0,0,2]=4 103 B7R0.3 COC(=O)\C=C\CBr CS13509 [1,1,0,0,0,0|0,0,0]=2 104 B7R0.3 CO\C=C\C(=O)OC CS11630 [1,1,0,0,0,0|0,0,0]=2 105 B7R0.5 CCOC(=O)C(C)C CS11388 [1,1,0,0,0,0|0,0,1]=3 106 B7R0.5 CCOC(=O)C(C)F MC439605 [1,1,0,0,0,0|0,0,1]=3 107 B7R0.5 CCOC(=O)C(C)N CS15404 [1,1,0,0,0,0|0,0,1]=3 108 B7R0.5 CCOC(=O)C(C)N MC436160 [1,1,0,0,0,0|0,0,1]=3 109 B7R0.5 CCOC(=O)C(C)O CS20075 [1,1,0,0,0,0|0,0,1]=3 110 B7R0.5 CCOC(=O)C(F)Br MC41908 [1,1,0,0,0,0|1,0,1]=4 111 B7R0.5 CCOC(=O)C(F)Cl MC41909 [1,1,0,0,0,0|1,0,1]=4 112 B7R0.5 CCOC(=O)C(F)F CS11385 [1,1,0,0,0,0|1,0,1]=4 113 B7R0.5 CCOC(=O)C(N)=S CS11392 [1,1,0,0,0,0|1,0,0]=3 114 B7R0.10 C=C(CBr)C(=O)OC CS11592 [1,1,0,0,0,0|1,0,1]=4 115 B7R0.10 C=C(CO)C(=O)OC CS12335 [1,1,0,0,0,0|1,0,1]=4 116 B7R0.10 CCC(Br)C(=O)OC CS14136 [1,1,0,0,0,0|0,0,2]=4 117 B7R0.10 CCC(N)C(=O)OC MC436010 [1,1,0,0,0,0|0,0,2]=4 118 B7R0.10 CNC(C)C(=O)OC MC437898 [1,1,0,0,0,0|1,0,1]=4 119 B7R0.10 COC(=O)C(=O)CBr CS15824 [1,1,0,0,0,0|1,0,1]=4 120 B7R0.4 CCC\C=C\C(C)=O MC20875 [1,1,0,0,0,0|1,0,0]=3 121 B7R0.4 CCO\C=C\C(=O)Cl MC425808 [1,1,0,0,0,0|1,0,0]=3 122 B7R0.4 CCO\C=C\C(=O)Cl MC427603 [1,1,0,0,0,0|1,0,0]=3 123 B7R0.4 CCO\C=C\C(=O)O CS22271 [1,1,0,0,0,0|1,0,0]=3 124 B9R0.5 CCOC(=O)CCCCBr CS13726 [0,2,0,0,0,0|0,0,2]=4 125 B9R0.5 CCOC(=O)CCCCN CS14354 [0,2,0,0,0,0|0,0,2]=4 126 B9R0.5 CCOC(=O)CNCCN MC436180 [0,2,0,0,0,0|0,0,2]=4 127 B9R0.5 CCO\C=C\C(=O)OCC MC20656 [0,2,0,0,0,0|0,0,0]=2 128 B9R0.5 C\C=C\C=C\C(=O)OCC MC446660 [0,2,0,0,0,0|0,0,0]=2 129 B9R0.34 CCOC(=O)CC(=O)CBr CS13599 [0,2,0,0,0,0|0,0,1]=3 130 B9R0.34 CCOC(=O)CC(=O)CC CS11391 [0,2,0,0,0,0|0,0,1]=3 131 B9R0.34 CCOC(=O)CC(=O)CN MC116410 [0,2,0,0,0,0|0,0,1]=3 132 B9R0.34 CCOC(=O)CC(=O)NC MC106824 [0,2,0,0,0,0|0,0,1]=3 133 B9R0.34 CCOC(=O)CC(=O)NN MC33013 [0,2,0,0,0,0|1,0,1]=4 134 B9R0.35 CCCC(=O)C(=O)OCC CS14582 [0,2,0,0,0,0|0,0,1]=3 135 B9R0.35 CCCC(N)C(=O)OCC MC439184 [0,2,0,0,0,0|0,0,2]=4 136 B9R0.35 CCOC(=N)C(=O)OCC CS13440 [0,2,0,0,0,0|0,0,1]=3 137 B9R0.35 CCOC(=O)C(=O)OCC MC41888 [0,2,0,0,0,0|0,0,1]=3 138 B9R0.48 CCOC(=O)CCC(=O)Cl MC40471 [0,2,0,0,0,0|1,0,1]=4 139 B9R0.48 CCOC(=O)CCC(=O)O CS11693 [0,2,0,0,0,0|1,0,1]=4 140 B9R0.48 CCOC(=O)CNC(C)=O MC439004 [0,2,0,0,0,0|0,0,1]=3 141 B9R0.6 CCOC(=O)C(=O)C(C)C MC41914 [0,2,0,0,0,0|0,0,1]=3 142 B9R0.6 CCOC(=O)C(=O)C(C)Cl MC107439 [0,2,0,0,0,0|0,0,1]=3 143 B9R0.6 CCOC(=O)C(Br)C(C)C CS19615 [0,2,0,0,0,0|0,0,2]=4 144 B9R0.6 CCOC(=O)C(C)C(C)=O CS19187 [0,2,0,0,0,0|0,0,1]=3 145 B9R0.6 CCOC(=O)C(F)C(C)=O MC32203 [0,2,0,0,0,0|0,0,1]=3 146 B9R0.6 CCOC(=O)C(F)C(C)C MC429819 [0,2,0,0,0,0|0,0,2]=4 147 B9R0.6 CCOC(=O)C(N)C(C)C MC438303 [0,2,0,0,0,0|0,0,2]=4 148 B9R0.37 CCOC(=O)C(C=O)C=O CS12302 [0,2,0,0,0,0|1,0,1]=4 149 B9R0.37 CCOC(=O)\C(C#N)=N/O CS14249 [0,2,0,0,0,0|1,0,1]=4 150 B9R0.44 CCOC(=O)CC(C)(C)N CS14497 [0,2,0,0,0,0|0,0,2]=4 151 B9R0.44 CCOC(=O)CC(C)(C)O CS15635 [0,2,0,0,0,0|0,0,2]=4 152 B9R0.44 CNCC(=O)OC(C)(C)C CS14999 [0,2,0,0,0,0|1,0,1]=4 153 B9R0.44 CNCC(=O)OC(C)(C)C MC439129 [0,2,0,0,0,0|1,0,1]=4 154 B9R0.53 CC(C)=CC(=O)C=C(C)C MC10339 [0,2,0,0,0,0|1,0,1]=4 155 B9R0.53 CC(C)OC(=O)OC(C)Cl CS20669 [0,2,0,0,0,0|1,0,1]=4 156 B9R0.53 C\C(N)=C\C(=O)OC(C)C CS10135 [0,2,0,0,0,0|0,0,0]=2 157 B7R1.1 COC1=CSC=C1 CS22351 [1,0,0,1,0,0|2,0,0]=4 158 B7R1.2 CC1=CC(=O)CC1 CS22356 [1,0,0,1,0,0|0,0,0]=2 159 B7R1.2 CC1=CC(=O)CO1 MC429080 [1,0,0,1,0,0|1,0,0]=3 160 B7R1.2 CC1=CC(=O)NN1 CS22601 [1,0,0,1,0,0|2,0,0]=4 161 B7R1.2 CC1=CC(C)=NO1 CS14107 [1,0,0,1,0,0|2,0,0]=4 162 B7R1.2 CC1=NOC(N)=C1 CS16239 [1,0,0,1,0,0|2,0,0]=4 163 B7R1.2 CC1COC(=O)N1 CS14300 [1,0,0,1,0,0|1,0,1]=4 164 B7R1.2 CC1COC(=O)O1 MC428298 [1,0,0,1,0,0|1,0,0]=3 165 B7R1.2 CN1C=CC(=O)N1 CS17197 [1,0,0,1,0,0|2,0,0]=4 166 B7R1.2 CN1CCC(=O)C1 CS20760 [1,0,0,1,0,0|1,0,1]=4 167 B7R1.2 O=C1C=C(Br)CN1 MC431199 [1,0,0,1,0,0|2,0,0]=4 168 B7R1.2 O=C1C=C(Br)CN1 MC431360 [1,0,0,1,0,0|2,0,0]=4 169 B7R1.2 O=C1CCC(=O)N1 MC41707 [1,0,0,1,0,0|2,0,0]=4 170 B7R1.3 O=C1C=CCCC1 MC41883 [1,0,0,1,0,0|0,0,0]=2 171 B7R1.3 O=C1C=CCCN1 CS15771 [1,0,0,1,0,0|1,0,0]=3 172 B7R1.3 O=C1C=CCOC1 CS17023 [1,0,0,1,0,0|1,0,0]=3 173 B7R1.3 O=C1CCCCN1 MC429045 [1,0,0,1,0,0|1,0,1]=4 174 B7R1.3 O=C1CCCCO1 CS11208 [1,0,0,1,0,0|0,0,1]=3 175 B7R1.3 O=C1CCCNC1 CS14768 [1,0,0,1,0,0|1,0,1]=4 176 B7R1.3 O=C1CCCNC1 CS17767 [1,0,0,1,0,0|1,0,1]=4 177 B7R1.3 O=C1CCCOC1 MC31097 [1,0,0,1,0,0|1,0,1]=4 178 B7R1.3 O=C1CNCCO1 MC441004 [1,0,0,1,0,0|1,0,1]=4 179 B7R1.3 O=C1COCCO1 MC20725 [1,0,0,1,0,0|1,0,1]=4 180 B7R1.4 CN1CCCC1=O MC41699 [1,0,0,1,0,0|2,0,0]=4 181 B7R1.4 NC1CCOC1=O CS18578 [1,0,0,1,0,0|1,0,1]=4 182 B7R1.4 NC1CCOC1=O MC439296 [1,0,0,1,0,0|1,0,1]=4 183 B7R1.4 NN1CCOC1=O MC102926 [1,0,0,1,0,0|2,0,0]=4 184 B7R1.22 COC(=O)C1CC1 MC41839 [1,0,0,1,0,0|0,0,2]=4 185 B9R1.7 CCOC1=CC(=O)CC1 MC425592 [0,1,0,1,0,0|1,0,0]=3 186 B9R1.7 CCOC1=CC(N)=NN1 MC100286 [0,1,0,1,0,0|2,0,0]=4 187 B9R1.7 CCOC1=NOC(C)=C1 MC427143 [0,1,0,1,0,0|0,0,1]=3 188 B9R1.8 CCOC1=NC=CC=C1 CS18732 [0,1,0,1,0,0|1,0,1]=4 189 B9R1.8 CCOC1=NC=CN=C1 CS21524 [0,1,0,1,0,0|1,0,1]=4 190 B9R1.12 CCOCC1=CC=CO1 CS17009 [0,1,0,1,0,0|0,0,2]=4 191 B9R1.22 CC1=C(CCl)OC(=O)O1 CS17711 [0,1,0,1,0,0|1,0,1]=4 192 B9R1.22 CC1=C(CO)OC(=O)O1 CS15068 [0,1,0,1,0,0|1,0,1]=4 193 B9R1.48 O=C1CCCCC(=O)C1 CS20375 [0,1,0,1,0,0|1,0,1]=4 194 B9R1.48 O=C1CCCNC(=O)C1 MC428135 [0,1,0,1,0,0|1,0,1]=4 195 B9R1.69 CC1=C(C)NC(=O)C=C1 MC111283 [0,1,0,1,0,0|1,0,1]=4 196 B9R1.73 CCOC(=O)C1CCC1 MC41840 [0,1,0,1,0,0|0,0,2]=4 197 B9R1.73 CCOC(=O)C1CNC1 CS11347 [0,1,0,1,0,0|0,0,2]=4 198 B9R1.183 CCOC(=O)C1CC1Br MC430633 [0,1,0,1,0,0|0,0,2]=4 199 B9R1.183 CCOC(=O)C1CC1F MC425315 [0,1,0,1,0,0|0,0,2]=4 200 B9R1.3 CN1CCNC(=O)C1=O MC111667 [0,1,0,1,0,0|2,0,0]=4 201 B9R1.37 CC1=C(C)C(=O)OC1=O CS21049 [0,1,0,1,0,0|1,0,1]=4 202 B9R1.74 CCOC(=O)C1(C)CC1 CS19612 [0,1,0,1,0,0|0,0,2]=4 203 B9R1.74 CCOC(=O)C1(N)CC1 CS19059 [0,1,0,1,0,0|0,0,2]=4 204 B9R1.34 CC1=CC(O)=CC(=O)O1 CS15586 [0,1,0,1,0,0|0,0,2]=4 205 B9R1.34 CC1CC(=O)CC(=O)C1 CS19597 [0,1,0,1,0,0|1,0,1]=4