0 B7R0.7 CC#CC(=O)OCC CS10117 [0,0,0,0,0,0|1,0,2]=3 1 B7R0.7 CCCC(N)CCO CS16692 [0,0,0,0,0,0|2,0,1]=3 2 B7R0.7 CCOC(=O)CC#N MC41911 [0,0,0,0,0,0|2,0,1]=3 3 B7R0.7 CCOC(=O)CCN CS14330 [0,0,0,0,0,0|2,0,0]=2 4 B7R0.7 CCOC(=O)CNC CS17068 [0,0,0,0,0,0|2,0,0]=2 5 B7R0.7 CCOC(=O)CNN CS19987 [0,0,0,0,0,0|3,0,0]=3 6 B7R0.7 CCOC(=O)COC CS11389 [0,0,0,0,0,0|2,0,0]=2 7 B7R0.7 CN(CCCl)CCCl CS11572 [0,0,0,0,0,0|4,0,0]=4 8 B7R0.7 COCC(N)COC CS21215 [0,0,0,0,0,0|3,0,1]=4 9 B7R0.7 O=C(CCCl)CCCl CS19912 [0,0,0,0,0,0|2,0,0]=2 10 B6R0.1 C#CC(=O)OCC MC434052 [1,0,0,0,0,0|1,0,2]=4 11 B6R0.1 CCC(C)CCBr MC112369 [1,0,0,0,0,0|2,0,1]=4 12 B6R0.1 CCCC(=O)NN CS22544 [1,0,0,0,0,0|2,0,0]=3 13 B6R0.1 CCCC(C)CBr MC112368 [1,0,0,0,0,0|2,0,1]=4 14 B6R0.1 CCCC(O)CO CS20495 [1,0,0,0,0,0|1,0,2]=4 15 B6R0.1 CCNC(=O)NC MC428152 [1,0,0,0,0,0|2,0,0]=3 16 B6R0.1 CCOC(=O)CBr MC41907 [1,0,0,0,0,0|2,0,0]=3 17 B6R0.1 CCOC(=O)CCl MC41910 [1,0,0,0,0,0|2,0,0]=3 18 B6R0.1 CCOC(=O)CN CS15347 [1,0,0,0,0,0|2,0,0]=3 19 B6R0.1 CCOC(=O)CO CS11386 [1,0,0,0,0,0|2,0,0]=3 20 B6R0.1 CCOC(=O)NN CS11383 [1,0,0,0,0,0|3,0,0]=4 21 B6R0.1 CNC(=O)CC#N CS18404 [1,0,0,0,0,0|2,0,1]=4 22 B6R0.1 CNC(=O)CCN MC112263 [1,0,0,0,0,0|2,0,0]=3 23 B6R0.1 CNCC(=O)OC MC438154 [1,0,0,0,0,0|2,0,0]=3 24 B6R0.1 COC(=O)CC#N MC428339 [1,0,0,0,0,0|2,0,1]=4 25 B6R0.1 COC(=O)CCBr CS18993 [1,0,0,0,0,0|2,0,0]=3 26 B6R0.1 COC(=O)CCN CS22266 [1,0,0,0,0,0|2,0,0]=3 27 B6R0.1 COCC(=O)NN CS11580 [1,0,0,0,0,0|3,0,0]=4 28 B6R0.1 C\C=C\C(=O)OC MC41953 [1,0,0,0,0,0|1,0,2]=4 29 B6R0.1 O=C(CCl)NCO CS14580 [1,0,0,0,0,0|3,0,0]=4 30 B6R0.6 BrCCCCCBr MC41886 [1,0,0,0,0,0|2,0,1]=4 31 B6R0.6 BrCCNCCBr CS11032 [1,0,0,0,0,0|3,0,0]=4 32 B6R0.6 CCCOCCCl MC428009 [1,0,0,0,0,0|2,0,0]=3 33 B6R0.6 COCCCCBr CS22933 [1,0,0,0,0,0|2,0,1]=4 34 B6R0.6 COCCCCCl MC428014 [1,0,0,0,0,0|2,0,1]=4 35 B6R0.6 ClCCNCCCl CS16038 [1,0,0,0,0,0|3,0,0]=4 36 B6R0.6 ClCCOCCCl MC41873 [1,0,0,0,0,0|3,0,0]=4 37 B6R0.6 FCCCCCBr CS14708 [1,0,0,0,0,0|2,0,1]=4 38 B6R0.6 NCCCCCN CS19074 [1,0,0,0,0,0|2,0,1]=4 39 B6R0.6 OCCCCCCl CS14778 [1,0,0,0,0,0|2,0,1]=4 40 B6R0.6 OCCCCCO CS20549 [1,0,0,0,0,0|2,0,1]=4 41 B6R0.6 OCCOCCO MC41893 [1,0,0,0,0,0|3,0,0]=4 42 B6R0.6 SCCOCCS MC112783 [1,0,0,0,0,0|3,0,0]=4 43 B8R0.1 C#CCCC(=O)OCC MC424003 [0,1,0,0,0,0|1,0,1]=3 44 B8R0.1 CCCC(C)CCCO MC112367 [0,1,0,0,0,0|1,0,1]=3 45 B8R0.1 CCOC(=O)CCCO MC111642 [0,1,0,0,0,0|1,0,0]=2 46 B8R0.1 CCOC(=O)CN=C=O MC41055 [0,1,0,0,0,0|2,0,1]=4 47 B8R0.1 CCOC(=O)\C=C\CO MC103341 [0,1,0,0,0,0|1,0,2]=4 48 B8R0.3 C=C(CBr)C(=O)OCC CS11325 [0,1,0,0,0,0|2,0,1]=4 49 B8R0.3 C=C(CO)C(=O)OCC CS20908 [0,1,0,0,0,0|2,0,1]=4 50 B8R0.3 CCNC(=O)C(N)CC MC116564 [0,1,0,0,0,0|1,0,0]=2 51 B8R0.3 CCNC(=O)C(N)CC MC116565 [0,1,0,0,0,0|1,0,0]=2 52 B8R0.3 CCOC(=O)C(=O)CBr CS18430 [0,1,0,0,0,0|2,0,1]=4 53 B8R0.3 CCOC(=O)C(=O)CC CS13439 [0,1,0,0,0,0|1,0,1]=3 54 B8R0.3 CCOC(=O)C(C)C#N CS21515 [0,1,0,0,0,0|2,0,1]=4 55 B8R0.3 CCOC(=O)C(Cl)C=O MC444619 [0,1,0,0,0,0|2,0,1]=4 56 B8R0.3 CCOC(=O)C(N)C#N MC425578 [0,1,0,0,0,0|2,0,1]=4 57 B8R0.3 CCOC(=O)C(N)CO CS13449 [0,1,0,0,0,0|2,0,0]=3 58 B8R0.3 CCOC(=O)C(N)CO CS17107 [0,1,0,0,0,0|2,0,0]=3 59 B8R0.3 CCOC(=O)C(N)CO MC439193 [0,1,0,0,0,0|2,0,0]=3 60 B8R0.3 CCOC(=O)C(N)CS CS16176 [0,1,0,0,0,0|2,0,0]=3 61 B8R0.5 CC(C)OC(=O)OCCl CS19003 [0,1,0,0,0,0|3,0,0]=4 62 B8R0.5 CCOC(=O)C=C(C)C CS11345 [0,1,0,0,0,0|1,0,2]=4 63 B8R0.5 CCOC(=O)CC(=N)N MC41916 [0,1,0,0,0,0|2,0,1]=4 64 B8R0.5 CCOC(=O)CC(=O)Cl MC20855 [0,1,0,0,0,0|2,0,1]=4 65 B8R0.5 CCOC(=O)CC(C)=O MC41905 [0,1,0,0,0,0|1,0,1]=3 66 B8R0.5 CCOC(=O)CC(C)O CS11353 [0,1,0,0,0,0|1,0,0]=2 67 B8R0.5 CCOC(=O)CC(C)O CS18545 [0,1,0,0,0,0|1,0,0]=2 68 B8R0.5 CCOC(=O)CC(N)=O CS18301 [0,1,0,0,0,0|2,0,1]=4 69 B8R0.5 CCOC(=O)C[N+](=O)[O-] CS22612 [0,1,0,0,0,0|3,0,0]=4 70 B8R0.5 CCOC(=O)OC(C)Cl CS20668 [0,1,0,0,0,0|2,0,0]=3 71 B8R0.5 CCOC(=O)\C=C(/C)N CS15795 [0,1,0,0,0,0|1,0,2]=4 72 B8R1.4 CC1=CC(O)CCC1 MC111652 [0,0,0,1,0,0|2,0,1]=4 73 B8R1.4 CC1CC(=O)CCN1 MC101989 [0,0,0,1,0,0|1,0,0]=2 74 B8R1.4 CC1CC(=O)CCN1 MC103769 [0,0,0,1,0,0|1,0,0]=2 75 B8R1.4 CC1CC(=O)CCN1 MC444193 [0,0,0,1,0,0|1,0,0]=2 76 B8R1.4 CC1CC(=O)CCO1 MC103799 [0,0,0,1,0,0|1,0,0]=2 77 B8R1.4 CC1CC(=O)CCO1 MC103800 [0,0,0,1,0,0|1,0,0]=2 78 B8R1.4 CC1CC(=O)CCO1 MC31001 [0,0,0,1,0,0|1,0,0]=2 79 B8R1.4 CC1CC(O)CCN1 MC102122 [0,0,0,1,0,0|1,0,2]=4 80 B8R1.4 CC1CC(O)CCN1 MC102123 [0,0,0,1,0,0|1,0,2]=4 81 B8R1.4 CC1CC(O)CCN1 MC102289 [0,0,0,1,0,0|1,0,2]=4 82 B8R1.4 CC1CC(O)CCO1 MC31218 [0,0,0,1,0,0|1,0,2]=4 83 B8R1.4 CC1CCNC(C)C1 CS21125 [0,0,0,1,0,0|2,0,1]=4 84 B8R1.4 CC1CN(C)CCN1 MC102815 [0,0,0,1,0,0|3,0,0]=4 85 B8R1.4 CC1CNCC(=O)N1 MC103795 [0,0,0,1,0,0|2,0,0]=3 86 B8R1.4 CC1CNCC(=O)N1 MC104244 [0,0,0,1,0,0|2,0,0]=3 87 B8R1.4 CC1CNCC(=O)N1 MC444027 [0,0,0,1,0,0|2,0,0]=3 88 B8R1.4 CC1CNCC(C)C1 CS14191 [0,0,0,1,0,0|2,0,1]=4 89 B8R1.4 CN1CCC=C(Br)C1 MC100076 [0,0,0,1,0,0|2,0,1]=4 90 B8R1.4 CN1CCCC(N)C1 MC102357 [0,0,0,1,0,0|2,0,1]=4 91 B8R1.4 CN1CCCC(N)C1 MC444039 [0,0,0,1,0,0|2,0,1]=4 92 B8R1.4 CN1CCCC(N)C1 MC444227 [0,0,0,1,0,0|2,0,1]=4 93 B8R1.4 CN1CCCC(O)C1 MC445500 [0,0,0,1,0,0|1,0,2]=4 94 B8R1.4 CN1CCNC(=O)C1 CS13438 [0,0,0,1,0,0|2,0,0]=3 95 B8R1.4 CN1CCOC(=O)C1 CS17566 [0,0,0,1,0,0|2,0,0]=3 96 B8R1.4 NC1CCCC(N)C1 CS17066 [0,0,0,1,0,0|2,0,1]=4 97 B8R1.4 NC1CCCC(O)C1 CS17342 [0,0,0,1,0,0|1,0,2]=4 98 B8R1.4 NC1CCCC(O)C1 CS18558 [0,0,0,1,0,0|1,0,2]=4 99 B8R1.4 NC1CCCC(O)C1 MC116000 [0,0,0,1,0,0|1,0,2]=4 100 B8R1.4 NC1CCCC(O)C1 MC116001 [0,0,0,1,0,0|1,0,2]=4 101 B8R1.4 NC1CCNC(=O)C1 CS15459 [0,0,0,1,0,0|2,0,0]=3 102 B8R1.4 NC1CCNC(=O)C1 MC444313 [0,0,0,1,0,0|2,0,0]=3 103 B8R1.4 O=C1CCCC(=O)C1 CS19094 [0,0,0,1,0,0|1,0,1]=3 104 B8R1.4 O=C1CCCC(=O)O1 CS11243 [0,0,0,1,0,0|2,0,1]=4 105 B8R1.4 O=C1CCNC(=O)C1 CS18339 [0,0,0,1,0,0|2,0,1]=4 106 B8R1.8 COCC1CCCN1 CS20310 [0,0,0,1,0,0|2,0,1]=4 107 B8R1.8 ClCCN1CCCC1 CS15769 [0,0,0,1,0,0|3,0,0]=4 108 B8R1.8 ICCC1CCCC1 MC106254 [0,0,0,1,0,0|2,0,1]=4 109 B8R1.8 NCCC1CCCC1 CS15909 [0,0,0,1,0,0|2,0,1]=4 110 B8R1.8 OCCC1CCCN1 MC103847 [0,0,0,1,0,0|2,0,1]=4 111 B8R1.8 OCCC1CCCN1 MC106622 [0,0,0,1,0,0|2,0,1]=4 112 B8R1.11 CN1CCCC1CN MC444032 [0,0,0,1,0,0|3,0,0]=4 113 B8R1.11 CN1CCCC1CN MC444049 [0,0,0,1,0,0|3,0,0]=4 114 B8R1.11 CN1CCCC1CO CS14186 [0,0,0,1,0,0|3,0,0]=4 115 B8R1.11 CN1CCCC1CO CS22816 [0,0,0,1,0,0|3,0,0]=4 116 B8R1.11 N#CC1CCCC1=O CS20047 [0,0,0,1,0,0|1,0,1]=3 117 B8R1.11 O=C1NCCC1CO MC104392 [0,0,0,1,0,0|2,0,0]=3 118 B8R1.18 CC1CC(=O)OC1=O MC440511 [0,0,0,1,0,0|2,0,1]=4 119 B8R1.22 FC1CCCNCC1 MC103919 [0,0,0,1,0,0|2,0,1]=4 120 B8R1.22 NC1CCCCNC1 CS18624 [0,0,0,1,0,0|2,0,1]=4 121 B8R1.22 NC1CCCCNC1 MC104803 [0,0,0,1,0,0|2,0,1]=4 122 B8R1.22 NC1CCCCNC1 MC425605 [0,0,0,1,0,0|2,0,1]=4 123 B8R1.22 O=C1CCCNCC1 CS19096 [0,0,0,1,0,0|1,0,0]=2 124 B8R1.22 O=C1CCNCCN1 CS18857 [0,0,0,1,0,0|2,0,0]=3 125 B8R1.22 O=C1CCSCCN1 MC121122 [0,0,0,1,0,0|2,0,0]=3 126 B8R1.22 O=S1CCCNCC1 MC100495 [0,0,0,1,0,0|2,0,0]=3 127 B8R1.37 COCC(N)C1CC1 MC425319 [0,0,0,1,0,0|2,0,1]=4 128 B8R1.37 N#CCC(=O)C1CC1 MC20950 [0,0,0,1,0,0|1,0,1]=3 129 B5R0.1 C=C(C)CCBr CS14513 [2,0,0,0,0,0|2,0,0]=4 130 B5R0.1 CCCC(C)=O CS21731 [2,0,0,0,0,0|0,0,0]=2 131 B5R0.1 CCC[N+](=O)[O-] MC428297 [2,0,0,0,0,0|2,0,0]=4 132 B5R0.1 CNCC(=O)O CS18595 [2,0,0,0,0,0|2,0,0]=4 133 B5R0.1 CNCC(N)=O MC438151 [2,0,0,0,0,0|2,0,0]=4 134 B5R0.1 COCC(=O)Cl MC40491 [2,0,0,0,0,0|2,0,0]=4 135 B5R0.1 COCC(=O)O CS11579 [2,0,0,0,0,0|2,0,0]=4 136 B5R0.1 COCC(N)=O MC41924 [2,0,0,0,0,0|2,0,0]=4 137 B5R0.1 CSCC(=O)Cl MC106201 [2,0,0,0,0,0|2,0,0]=4 138 B5R0.1 CSCC(N)=O CS12608 [2,0,0,0,0,0|2,0,0]=4 139 B5R0.1 NCCC(=O)O CS13499 [2,0,0,0,0,0|2,0,0]=4 140 B5R0.1 NCCC(N)=O MC436150 [2,0,0,0,0,0|2,0,0]=4 141 B5R0.1 O=C(O)CCO MC20638 [2,0,0,0,0,0|2,0,0]=4 142 B5R0.2 BrCCCCBr MC41885 [2,0,0,0,0,0|2,0,0]=4 143 B5R0.2 CCCCCBr CS20657 [2,0,0,0,0,0|1,0,0]=3 144 B5R0.2 CCCC[Zn]Br MC121334 [2,0,0,0,0,0|2,0,0]=4 145 B5R0.2 CCOCCBr CS21396 [2,0,0,0,0,0|2,0,0]=4 146 B5R0.2 CCOCCCl MC428008 [2,0,0,0,0,0|2,0,0]=4 147 B5R0.2 CNCCCO CS14200 [2,0,0,0,0,0|2,0,0]=4 148 B5R0.2 CNCCNC CS15116 [2,0,0,0,0,0|2,0,0]=4 149 B5R0.2 CNCCOC MC427349 [2,0,0,0,0,0|2,0,0]=4 150 B5R0.2 COCCCBr CS20649 [2,0,0,0,0,0|2,0,0]=4 151 B5R0.2 COCCCO CS20039 [2,0,0,0,0,0|2,0,0]=4 152 B5R0.2 COCCOC MC41899 [2,0,0,0,0,0|2,0,0]=4 153 B5R0.2 COCCOC MC445008 [2,0,0,0,0,0|2,0,0]=4 154 B5R0.2 NCCCCBr CS14979 [2,0,0,0,0,0|2,0,0]=4 155 B5R0.2 NCCCCN CS19906 [2,0,0,0,0,0|2,0,0]=4 156 B5R0.3 CNC(=O)CCl MC21094 [2,0,0,0,0,0|2,0,0]=4 157 B5R0.3 CNC(=O)CN MC437710 [2,0,0,0,0,0|2,0,0]=4 158 B5R0.3 COC(=O)CN CS15045 [2,0,0,0,0,0|2,0,0]=4 159 B5R0.3 COC(=O)CO CS19433 [2,0,0,0,0,0|2,0,0]=4 160 B5R0.3 COC(=O)CS MC20578 [2,0,0,0,0,0|2,0,0]=4 161 B5R0.3 O=C(CO)CO CS11245 [2,0,0,0,0,0|2,0,0]=4 162 B7R0.2 CC(C)OC(=O)CO CS11522 [1,1,0,0,0,0|2,0,0]=4 163 B7R0.2 CCC(=O)CC(C)=O CS21124 [1,1,0,0,0,0|0,0,1]=3 164 B7R0.2 CCC(=O)OC(C)=O CS16382 [1,1,0,0,0,0|1,0,1]=4 165 B7R0.2 COC(=O)CC(C)=O MC41927 [1,1,0,0,0,0|1,0,1]=4 166 B7R0.2 COC(=O)CC(C)O CS11584 [1,1,0,0,0,0|1,0,0]=3 167 B7R0.3 C#CCCC(=O)OC MC424002 [1,1,0,0,0,0|1,0,1]=4 168 B7R0.3 CCC(O)CCCO MC116029 [1,1,0,0,0,0|0,0,2]=4 169 B7R0.3 COC(=O)CCC=O MC21172 [1,1,0,0,0,0|1,0,1]=4 170 B7R0.3 COC(=O)CCCBr MC427387 [1,1,0,0,0,0|1,0,0]=3 171 B7R0.3 COC(=O)CCCN MC439309 [1,1,0,0,0,0|1,0,0]=3 172 B7R0.3 COCCC(=O)NN MC111753 [1,1,0,0,0,0|2,0,0]=4 173 B7R0.5 CC(C)C(=O)CC#N MC41933 [1,1,0,0,0,0|1,0,1]=4 174 B7R0.5 CCOC(=O)C(C)C CS11388 [1,1,0,0,0,0|1,0,0]=3 175 B7R0.5 CCOC(=O)C(C)F MC439605 [1,1,0,0,0,0|1,0,0]=3 176 B7R0.5 CCOC(=O)C(C)N CS15404 [1,1,0,0,0,0|1,0,0]=3 177 B7R0.5 CCOC(=O)C(C)N MC436160 [1,1,0,0,0,0|1,0,0]=3 178 B7R0.5 CCOC(=O)C(C)O CS20075 [1,1,0,0,0,0|1,0,0]=3 179 B7R0.5 CCOC(=O)C(F)Br MC41908 [1,1,0,0,0,0|2,0,0]=4 180 B7R0.5 CCOC(=O)C(F)Cl MC41909 [1,1,0,0,0,0|2,0,0]=4 181 B7R0.5 CCOC(=O)C(F)F CS11385 [1,1,0,0,0,0|2,0,0]=4 182 B7R0.5 CNCC(=O)N(C)C MC438152 [1,1,0,0,0,0|2,0,0]=4 183 B7R0.10 CCC(Br)C(=O)OC CS14136 [1,1,0,0,0,0|1,0,0]=3 184 B7R0.10 CCC(N)C(=O)OC MC436010 [1,1,0,0,0,0|1,0,0]=3 185 B7R0.10 CNC(C)C(=O)OC MC437898 [1,1,0,0,0,0|2,0,0]=4 186 B7R0.10 COC(=O)C(C)CBr MC428281 [1,1,0,0,0,0|2,0,0]=4 187 B7R0.10 COC(=O)C(F)CO CS17081 [1,1,0,0,0,0|2,0,0]=4 188 B7R0.10 COC(=O)C(N)CCl CS22615 [1,1,0,0,0,0|2,0,0]=4 189 B7R0.10 COC(=O)C(N)CCl MC418493 [1,1,0,0,0,0|2,0,0]=4 190 B7R0.10 COC(=O)C(N)CCl MC436854 [1,1,0,0,0,0|2,0,0]=4 191 B7R0.10 COC(=O)C(N)CO CS16778 [1,1,0,0,0,0|2,0,0]=4 192 B7R0.10 COC(=O)C(N)CO CS16785 [1,1,0,0,0,0|2,0,0]=4 193 B7R0.10 COC(=O)C(N)CO CS22621 [1,1,0,0,0,0|2,0,0]=4 194 B7R0.10 COC(=O)C(N)CS CS13863 [1,1,0,0,0,0|2,0,0]=4 195 B7R0.10 COC(=O)C(N)CS MC110561 [1,1,0,0,0,0|2,0,0]=4 196 B7R0.10 COC(=O)C(O)CO MC429048 [1,1,0,0,0,0|2,0,0]=4 197 B7R0.1 BrCCCCCCBr CS20550 [1,1,0,0,0,0|1,0,1]=4 198 B7R0.1 COCCOCCN MC431493 [1,1,0,0,0,0|2,0,0]=4 199 B7R0.1 NCCCNCCBr CS13982 [1,1,0,0,0,0|2,0,0]=4 200 B7R0.1 OCCCCCCBr CS14335 [1,1,0,0,0,0|1,0,1]=4 201 B7R0.4 CC(O)CCCCO MC112436 [1,1,0,0,0,0|1,0,1]=4 202 B7R0.4 CCCCCC(C)O CS21570 [1,1,0,0,0,0|0,0,1]=3 203 B7R0.4 CCC\C=C\C(C)=O MC20875 [1,1,0,0,0,0|0,0,2]=4 204 B7R0.4 COCCCC(C)N MC112163 [1,1,0,0,0,0|1,0,1]=4 205 B9R0.4 CC(C)NC(=O)NCCN MC112535 [0,2,0,0,0,0|2,0,0]=4 206 B9R0.5 CCOC(=O)CCCCBr CS13726 [0,2,0,0,0,0|1,0,0]=3 207 B9R0.5 CCOC(=O)CCCCN CS14354 [0,2,0,0,0,0|1,0,0]=3 208 B9R0.5 CCOC(=O)CNCCN MC436180 [0,2,0,0,0,0|1,0,0]=3 209 B9R0.5 CCO\C=C\C(=O)OCC MC20656 [0,2,0,0,0,0|1,0,1]=4 210 B9R0.18 CCCCC(N)CCCC MC428161 [0,2,0,0,0,0|1,0,1]=4 211 B9R0.18 O=C(CCCCl)CCCCl CS14305 [0,2,0,0,0,0|0,0,0]=2 212 B9R0.34 CCOC(=O)CC(=O)CBr CS13599 [0,2,0,0,0,0|1,0,1]=4 213 B9R0.34 CCOC(=O)CC(=O)CC CS11391 [0,2,0,0,0,0|1,0,0]=3 214 B9R0.34 CCOC(=O)CC(=O)CN MC116410 [0,2,0,0,0,0|1,0,1]=4 215 B9R0.34 CCOC(=O)CC(=O)NC MC106824 [0,2,0,0,0,0|1,0,1]=4 216 B9R0.34 COCC(=O)CC(=O)OC MC20562 [0,2,0,0,0,0|1,0,1]=4 217 B9R0.35 CCCC(=O)C(=O)OCC CS14582 [0,2,0,0,0,0|0,0,1]=3 218 B9R0.35 CCCC(N)C(=O)OCC MC439184 [0,2,0,0,0,0|1,0,0]=3 219 B9R0.35 CCOC(=N)C(=O)OCC CS13440 [0,2,0,0,0,0|1,0,1]=4 220 B9R0.35 CCOC(=O)C(=O)OCC MC41888 [0,2,0,0,0,0|1,0,1]=4 221 B9R0.48 CCOC(=O)CCC(=O)Cl MC40471 [0,2,0,0,0,0|1,0,1]=4 222 B9R0.48 CCOC(=O)CCC(=O)O CS11693 [0,2,0,0,0,0|1,0,1]=4 223 B9R0.48 CCOC(=O)CC[N+](=O)[O-] MC442447 [0,2,0,0,0,0|2,0,0]=4 224 B9R0.48 CCOC(=O)CNC(C)=O MC439004 [0,2,0,0,0,0|1,0,1]=4 225 B9R0.6 CCNC(=O)C(N)C(C)C MC112425 [0,2,0,0,0,0|1,0,0]=3 226 B9R0.6 CCOC(=O)C(=O)C(C)C MC41914 [0,2,0,0,0,0|1,0,1]=4 227 B9R0.6 CCOC(=O)C(=O)C(C)Cl MC107439 [0,2,0,0,0,0|1,0,1]=4 228 B9R0.6 CCOC(=O)C(Br)C(C)C CS19615 [0,2,0,0,0,0|1,0,0]=3 229 B9R0.6 CCOC(=O)C(C)C(C)=O CS19187 [0,2,0,0,0,0|1,0,1]=4 230 B9R0.6 CCOC(=O)C(F)C(C)=O MC32203 [0,2,0,0,0,0|1,0,1]=4 231 B9R0.6 CCOC(=O)C(F)C(C)C MC429819 [0,2,0,0,0,0|1,0,0]=3 232 B9R0.6 CCOC(=O)C(N)C(C)C MC438303 [0,2,0,0,0,0|1,0,0]=3 233 B9R0.44 CC(C)(C)OC(=O)CCN CS19160 [0,2,0,0,0,0|2,0,0]=4 234 B9R0.44 CC(C)(C)OC(=O)CCN MC106943 [0,2,0,0,0,0|2,0,0]=4 235 B9R0.44 CCOC(=O)CC(C)(C)N CS14497 [0,2,0,0,0,0|1,0,0]=3 236 B9R0.44 CCOC(=O)CC(C)(C)O CS15635 [0,2,0,0,0,0|1,0,0]=3 237 B9R0.44 CNCC(=O)OC(C)(C)C CS14999 [0,2,0,0,0,0|2,0,0]=4 238 B9R0.44 CNCC(=O)OC(C)(C)C MC439129 [0,2,0,0,0,0|2,0,0]=4 239 B9R0.53 CC(C)OC(=O)OC(C)Cl CS20669 [0,2,0,0,0,0|2,0,0]=4 240 B9R0.17 CCCP(CCC)CCC MC444860 [0,2,0,0,0,0|2,0,0]=4 241 B7R1.1 CCC1CCCN1 MC110951 [1,0,0,1,0,0|1,0,1]=4 242 B7R1.1 COC1=NCCC1 CS10423 [1,0,0,1,0,0|2,0,0]=4 243 B7R1.2 CC1=CC(=O)CC1 CS22356 [1,0,0,1,0,0|0,0,2]=4 244 B7R1.2 CC1COC(=O)N1 CS14300 [1,0,0,1,0,0|2,0,0]=4 245 B7R1.2 CC1COC(=O)O1 MC428298 [1,0,0,1,0,0|2,0,0]=4 246 B7R1.2 CN1CCC(=O)C1 CS20760 [1,0,0,1,0,0|1,0,0]=3 247 B7R1.2 NC1CNC(=O)C1 MC103473 [1,0,0,1,0,0|2,0,0]=4 248 B7R1.2 NC1COC(=O)C1 CS14340 [1,0,0,1,0,0|2,0,0]=4 249 B7R1.2 NC1COC(=O)C1 CS14674 [1,0,0,1,0,0|2,0,0]=4 250 B7R1.2 O=C1CC(O)CN1 CS14706 [1,0,0,1,0,0|2,0,0]=4 251 B7R1.2 O=C1CC(O)CN1 CS16472 [1,0,0,1,0,0|2,0,0]=4 252 B7R1.2 O=C1CCC(I)C1 MC115016 [1,0,0,1,0,0|1,0,0]=3 253 B7R1.3 BrC1CCCCC1 CS11079 [1,0,0,1,0,0|1,0,1]=4 254 B7R1.3 O=C1C=CCCC1 MC41883 [1,0,0,1,0,0|0,0,2]=4 255 B7R1.3 O=C1CCCCN1 MC429045 [1,0,0,1,0,0|1,0,0]=3 256 B7R1.3 O=C1CCCCO1 CS11208 [1,0,0,1,0,0|1,0,0]=3 257 B7R1.3 O=C1CCCNC1 CS14768 [1,0,0,1,0,0|1,0,0]=3 258 B7R1.3 O=C1CCCNC1 CS17767 [1,0,0,1,0,0|1,0,0]=3 259 B7R1.3 O=C1CCCOC1 MC31097 [1,0,0,1,0,0|1,0,0]=3 260 B7R1.3 O=C1CCNCC1 CS22790 [1,0,0,1,0,0|1,0,0]=3 261 B7R1.3 O=C1CCOCC1 CS13380 [1,0,0,1,0,0|1,0,0]=3 262 B7R1.3 O=C1CCSCC1 CS18797 [1,0,0,1,0,0|1,0,0]=3 263 B7R1.3 O=C1CNCCN1 CS19142 [1,0,0,1,0,0|2,0,0]=4 264 B7R1.3 O=C1CNCCO1 MC441004 [1,0,0,1,0,0|2,0,0]=4 265 B7R1.3 O=C1COCCN1 CS11697 [1,0,0,1,0,0|2,0,0]=4 266 B7R1.3 O=C1COCCO1 MC20725 [1,0,0,1,0,0|2,0,0]=4 267 B7R1.4 CC1OCCC1=O CS14135 [1,0,0,1,0,0|1,0,0]=3 268 B7R1.4 CN1CCCC1=O MC41699 [1,0,0,1,0,0|1,0,0]=3 269 B7R1.4 NC1CCNC1=O MC107169 [1,0,0,1,0,0|2,0,0]=4 270 B7R1.4 NC1CCNC1=O MC115917 [1,0,0,1,0,0|2,0,0]=4 271 B7R1.4 NC1CCOC1=O CS18578 [1,0,0,1,0,0|2,0,0]=4 272 B7R1.4 NC1CCOC1=O MC439296 [1,0,0,1,0,0|2,0,0]=4 273 B7R1.4 NC1CCSC1=O MC428331 [1,0,0,1,0,0|2,0,0]=4 274 B7R1.4 O=C1CCCC1Br MC445112 [1,0,0,1,0,0|1,0,0]=3 275 B7R1.4 O=C1NCCC1O CS19486 [1,0,0,1,0,0|2,0,0]=4 276 B7R1.4 O=C1NCCC1O MC115910 [1,0,0,1,0,0|2,0,0]=4 277 B7R1.4 O=C1NCCC1O MC444274 [1,0,0,1,0,0|2,0,0]=4 278 B7R1.8 O=C1CCC1CO MC104211 [1,0,0,1,0,0|1,0,0]=3 279 B7R1.8 O=C1CCC1CO MC104212 [1,0,0,1,0,0|1,0,0]=3 280 B7R1.8 O=C1CCC1CO MC104213 [1,0,0,1,0,0|1,0,0]=3 281 B7R1.22 COC(=O)C1CC1 MC41839 [1,0,0,1,0,0|1,0,0]=3 282 B7R1.22 O=C(CBr)C1CC1 MC433212 [1,0,0,1,0,0|1,0,0]=3 283 B7R1.24 C1CNCCNC1 MC31155 [1,0,0,1,0,0|2,0,0]=4 284 B7R1.24 C1CNCCOC1 CS17007 [1,0,0,1,0,0|2,0,0]=4 285 B9R1.2 CN1CCCC(CN)C1 CS18007 [0,1,0,1,0,0|2,0,0]=4 286 B9R1.2 CN1CCCC(CN)C1 MC103935 [0,1,0,1,0,0|2,0,0]=4 287 B9R1.2 CN1CCCC(CO)C1 MC425692 [0,1,0,1,0,0|2,0,0]=4 288 B9R1.2 NCC1CCNC(=O)C1 MC101902 [0,1,0,1,0,0|1,0,0]=3 289 B9R1.2 NCC1CCNC(=O)C1 MC102333 [0,1,0,1,0,0|1,0,0]=3 290 B9R1.2 O=C1CC(CO)CCN1 MC444199 [0,1,0,1,0,0|1,0,0]=3 291 B9R1.2 O=C1COCC(CO)N1 CS17255 [0,1,0,1,0,0|2,0,0]=4 292 B9R1.12 NCCCN1CCCC1 CS20406 [0,1,0,1,0,0|2,0,0]=4 293 B9R1.15 CCC1CNCCC1=O CS17950 [0,1,0,1,0,0|0,0,0]=2 294 B9R1.15 COC1CCCNC1=O CS12712 [0,1,0,1,0,0|1,0,0]=3 295 B9R1.15 N#CC1CCCCC1=O MC33325 [0,1,0,1,0,0|1,0,1]=4 296 B9R1.33 CN1CCCC1CCN CS17253 [0,1,0,1,0,0|2,0,0]=4 297 B9R1.33 CN1CCCC1CCN CS17948 [0,1,0,1,0,0|2,0,0]=4 298 B9R1.33 CN1CCCC1CCN MC105423 [0,1,0,1,0,0|2,0,0]=4 299 B9R1.33 COCC1CCCC1=O MC106167 [0,1,0,1,0,0|0,0,0]=2 300 B9R1.33 O=C1CCCN1CCBr MC431361 [0,1,0,1,0,0|1,0,0]=3 301 B9R1.48 O=C1CCCCC(=O)C1 CS20375 [0,1,0,1,0,0|0,0,1]=3 302 B9R1.48 O=C1CCCNC(=O)C1 MC428135 [0,1,0,1,0,0|1,0,1]=4 303 B9R1.49 CN1CCCC(=O)CC1 CS13899 [0,1,0,1,0,0|0,0,0]=2 304 B9R1.49 CN1CCCC(N)CC1 MC444311 [0,1,0,1,0,0|1,0,1]=4 305 B9R1.49 CN1CCCC(O)CC1 CS13879 [0,1,0,1,0,0|0,0,2]=4 306 B9R1.50 O=C1CCCCCCN1 CS21316 [0,1,0,1,0,0|0,0,0]=2 307 B9R1.69 CC1CC(N)CCN1C MC104351 [0,1,0,1,0,0|1,0,1]=4 308 B9R1.69 CC1CNC(=O)CC1=O CS12978 [0,1,0,1,0,0|1,0,1]=4 309 B9R1.69 CN1CCC(=O)CC1=O MC105215 [0,1,0,1,0,0|1,0,1]=4 310 B9R1.69 CN1CCC(N)CC1=O MC105288 [0,1,0,1,0,0|2,0,0]=4 311 B9R1.73 CCOC(=O)C1CCC1 MC41840 [0,1,0,1,0,0|1,0,0]=3 312 B9R1.73 CCOC(=O)C1CNC1 CS11347 [0,1,0,1,0,0|1,0,0]=3 313 B9R1.183 CCOC(=O)C1CC1Br MC430633 [0,1,0,1,0,0|1,0,0]=3 314 B9R1.183 CCOC(=O)C1CC1F MC425315 [0,1,0,1,0,0|1,0,0]=3 315 B9R1.183 N#CCC(=O)C1CC1F MC102857 [0,1,0,1,0,0|1,0,1]=4 316 B9R1.183 N#CCC(=O)C1CC1F MC102858 [0,1,0,1,0,0|1,0,1]=4 317 B9R1.3 CC1C(=O)CCCC1=O CS10132 [0,1,0,1,0,0|1,0,1]=4 318 B9R1.5 CN1CCCNCC1=O MC100103 [0,1,0,1,0,0|2,0,0]=4 319 B9R1.5 NC1CCCCNC1=O CS15569 [0,1,0,1,0,0|1,0,0]=3 320 B9R1.5 NC1CCCCNC1=O CS15816 [0,1,0,1,0,0|1,0,0]=3 321 B9R1.5 NC1CCCCNC1=O MC425745 [0,1,0,1,0,0|1,0,0]=3 322 B9R1.5 NC1CSCCNC1=O MC100169 [0,1,0,1,0,0|2,0,0]=4 323 B9R1.74 CCOC(=O)C1(C)CC1 CS19612 [0,1,0,1,0,0|1,0,0]=3 324 B9R1.74 CCOC(=O)C1(N)CC1 CS19059 [0,1,0,1,0,0|1,0,0]=3 325 B9R1.101 CON(C)C(=O)C1CC1 MC425291 [0,1,0,1,0,0|2,0,0]=4 326 B9R1.34 CC1CC(=O)CC(=O)C1 CS19597 [0,1,0,1,0,0|0,0,1]=3 327 B9R1.34 CC1CC(=O)CC(C)O1 MC425912 [0,1,0,1,0,0|0,0,0]=2 328 B9R1.41 O=C(Cl)C1CCCC1=O MC106033 [0,1,0,1,0,0|1,0,1]=4 329 B9R1.66 CC1(C)CC(=O)CCO1 CS17870 [0,1,0,1,0,0|1,0,0]=3 330 B9R1.66 CC1(C)CCCC(=O)C1 MC10482 [0,1,0,1,0,0|0,0,0]=2 331 B9R1.148 O=S1(=O)CCCNCC1 MC100270 [0,1,0,1,0,0|2,0,0]=4 332 B9R2.68 C1CC2CCC(C1)N2 MC444465 [0,0,0,2,0,0|1,0,1]=4 333 B9R2.109 O=C1CCCC2CC12 MC102253 [0,0,0,2,0,0|0,0,0]=2 334 B9R2.173 C1CNC2(C1)CCC2 MC102196 [0,0,0,2,0,0|1,0,1]=4 335 B9R2.173 C1CNC2(C1)CCC2 MC105663 [0,0,0,2,0,0|1,0,1]=4