0 B6R0.1 CCC(C)CCBr MC112369 [0,0,0,0,0,0|2,0,0]=2 1 B6R0.1 CCCC(=O)NN CS22544 [0,0,0,0,0,0|2,0,2]=4 2 B6R0.1 CCCC(C)CBr MC112368 [0,0,0,0,0,0|2,0,0]=2 3 B6R0.1 CCCC(O)CO CS20495 [0,0,0,0,0,0|1,0,0]=1 4 B6R0.1 CCNC(=O)NC MC428152 [0,0,0,0,0,0|2,0,2]=4 5 B6R0.1 CCOC(=O)CBr MC41907 [0,0,0,0,0,0|2,0,2]=4 6 B6R0.1 CCOC(=O)CCl MC41910 [0,0,0,0,0,0|2,0,2]=4 7 B6R0.1 CCOC(=O)CN CS15347 [0,0,0,0,0,0|2,0,2]=4 8 B6R0.1 CCOC(=O)CO CS11386 [0,0,0,0,0,0|2,0,2]=4 9 B6R0.1 CNC(=O)CCN MC112263 [0,0,0,0,0,0|2,0,2]=4 10 B6R0.1 CNCC(=O)OC MC438154 [0,0,0,0,0,0|2,0,2]=4 11 B6R0.1 COC(=O)CCBr CS18993 [0,0,0,0,0,0|2,0,2]=4 12 B6R0.1 COC(=O)CCN CS22266 [0,0,0,0,0,0|2,0,2]=4 13 B6R0.1 N#CCC(O)CCl CS22599 [0,0,0,0,0,0|2,0,1]=3 14 B6R0.1 OC(CBr)CCBr MC107100 [0,0,0,0,0,0|2,0,0]=2 15 B6R0.1 OC(CBr)CCBr MC107101 [0,0,0,0,0,0|2,0,0]=2 16 B6R0.1 OCCC(O)CO MC42234 [0,0,0,0,0,0|2,0,0]=2 17 B6R0.1 [NH3+]CCC(F)C[NH3+] MC112759 [0,0,0,0,0,0|3,0,0]=3 18 B5R0.1 C=C(C)CCBr CS14513 [1,0,0,0,0,0|2,0,1]=4 19 B5R0.1 CC(C)CC=O CS11530 [1,0,0,0,0,0|2,0,1]=4 20 B5R0.1 CC(N)CCO CS14355 [1,0,0,0,0,0|2,0,0]=3 21 B5R0.1 CC(N)CCO CS14356 [1,0,0,0,0,0|2,0,0]=3 22 B5R0.1 CC(N)CCO CS22096 [1,0,0,0,0,0|2,0,0]=3 23 B5R0.1 CC(O)CON CS17735 [1,0,0,0,0,0|2,0,0]=3 24 B5R0.1 CCCB(O)O CS14802 [1,0,0,0,0,0|2,0,0]=3 25 B5R0.1 CCCC(C)=O CS21731 [1,0,0,0,0,0|0,0,2]=3 26 B5R0.1 CCC[N+](=O)[O-] MC428297 [1,0,0,0,0,0|2,0,1]=4 27 B5R0.1 CN(C)CCBr CS10949 [1,0,0,0,0,0|3,0,0]=4 28 B5R0.1 CN(C)CCCl CS14471 [1,0,0,0,0,0|3,0,0]=4 29 B5R0.1 CN(C)CCCl CS17225 [1,0,0,0,0,0|3,0,0]=4 30 B5R0.1 CN(C)CCN CS18603 [1,0,0,0,0,0|3,0,0]=4 31 B5R0.1 CN(C)CCO CS11733 [1,0,0,0,0,0|3,0,0]=4 32 B5R0.1 CNCC(=O)O CS18595 [1,0,0,0,0,0|2,0,1]=4 33 B5R0.1 COCC(=O)O CS11579 [1,0,0,0,0,0|2,0,1]=4 34 B5R0.1 COCC(C)N CS15401 [1,0,0,0,0,0|2,0,0]=3 35 B5R0.1 COCC(C)O CS20249 [1,0,0,0,0,0|1,0,0]=2 36 B5R0.1 COCC(C)O CS20309 [1,0,0,0,0,0|1,0,0]=2 37 B5R0.1 COCC(C)O CS20741 [1,0,0,0,0,0|1,0,0]=2 38 B5R0.1 NCCC(=O)O CS13499 [1,0,0,0,0,0|2,0,1]=4 39 B5R0.1 O=C(O)CCO MC20638 [1,0,0,0,0,0|2,0,1]=4 40 B5R0.2 BrCCCCBr MC41885 [1,0,0,0,0,0|2,0,0]=3 41 B5R0.2 CCCCCBr CS20657 [1,0,0,0,0,0|1,0,0]=2 42 B5R0.2 CCCC[Zn]Br MC121334 [1,0,0,0,0,0|2,0,0]=3 43 B5R0.2 CCOCCBr CS21396 [1,0,0,0,0,0|2,0,0]=3 44 B5R0.2 CCOCCCl MC428008 [1,0,0,0,0,0|2,0,0]=3 45 B5R0.2 CNCCC#N CS22369 [1,0,0,0,0,0|2,0,1]=4 46 B5R0.2 CNCCCO CS14200 [1,0,0,0,0,0|2,0,0]=3 47 B5R0.2 CNCCNC CS15116 [1,0,0,0,0,0|2,0,0]=3 48 B5R0.2 CNCCOC MC427349 [1,0,0,0,0,0|2,0,0]=3 49 B5R0.2 COCCC#N CS22345 [1,0,0,0,0,0|2,0,1]=4 50 B5R0.2 COCCCBr CS20649 [1,0,0,0,0,0|2,0,0]=3 51 B5R0.2 COCCCO CS20039 [1,0,0,0,0,0|2,0,0]=3 52 B5R0.2 COCCNN MC103229 [1,0,0,0,0,0|3,0,0]=4 53 B5R0.2 COCCNN MC107041 [1,0,0,0,0,0|3,0,0]=4 54 B5R0.2 COCCOC MC41899 [1,0,0,0,0,0|2,0,0]=3 55 B5R0.2 COCCOC MC445008 [1,0,0,0,0,0|2,0,0]=3 56 B5R0.2 N#CCCCBr MC433750 [1,0,0,0,0,0|2,0,1]=4 57 B5R0.2 NCCCCBr CS14979 [1,0,0,0,0,0|2,0,0]=3 58 B5R0.2 NCCCCN CS19906 [1,0,0,0,0,0|2,0,0]=3 59 B5R0.3 CCC(C)[Zn]Br MC121335 [1,0,0,0,0,0|3,0,0]=4 60 B5R0.3 CCC(N)CO CS15119 [1,0,0,0,0,0|2,0,0]=3 61 B5R0.3 CCC(N)CO MC10528 [1,0,0,0,0,0|2,0,0]=3 62 B5R0.3 CCC(N)CO MC20718 [1,0,0,0,0,0|2,0,0]=3 63 B5R0.3 CCC(N)CO MC436159 [1,0,0,0,0,0|2,0,0]=3 64 B5R0.3 CCC(O)CO CS15622 [1,0,0,0,0,0|1,0,0]=2 65 B5R0.3 COC(C)CN CS17733 [1,0,0,0,0,0|3,0,0]=4 66 B5R0.3 COC(C)CO CS12306 [1,0,0,0,0,0|3,0,0]=4 67 B5R0.3 NC(CO)CO CS18352 [1,0,0,0,0,0|3,0,0]=4 68 B5R0.3 NCC(O)CCl MC427329 [1,0,0,0,0,0|2,0,0]=3 69 B5R0.3 NCC(O)CN CS14232 [1,0,0,0,0,0|2,0,0]=3 70 B5R0.3 NCC(O)CO CS14832 [1,0,0,0,0,0|2,0,0]=3 71 B5R0.3 NCC(O)CO CS18397 [1,0,0,0,0,0|2,0,0]=3 72 B5R0.3 NCC(O)CO MC20311 [1,0,0,0,0,0|2,0,0]=3 73 B5R0.3 O=CC(O)CO MC107096 [1,0,0,0,0,0|2,0,1]=4 74 B5R0.3 O=CC(O)CO MC20361 [1,0,0,0,0,0|2,0,1]=4 75 B5R0.3 O=CC(O)CO MC20362 [1,0,0,0,0,0|2,0,1]=4 76 B5R0.3 OC(CCl)CCl MC428012 [1,0,0,0,0,0|2,0,0]=3 77 B5R0.3 OC(CF)CF MC429449 [1,0,0,0,0,0|2,0,0]=3 78 B5R0.3 OCC(O)CCl CS15061 [1,0,0,0,0,0|2,0,0]=3 79 B5R0.3 OCC(O)CCl MC20314 [1,0,0,0,0,0|2,0,0]=3 80 B7R0.2 CC(C)CC(N)CO CS14853 [0,1,0,0,0,0|2,0,0]=3 81 B7R0.2 CC(C)CC(N)CO CS19307 [0,1,0,0,0,0|2,0,0]=3 82 B7R0.2 CCC(=O)CC(C)=O CS21124 [0,1,0,0,0,0|0,0,3]=4 83 B7R0.2 CN(C)CC(O)CO CS15349 [0,1,0,0,0,0|2,0,0]=3 84 B7R0.2 COC(=O)CC(C)O CS11584 [0,1,0,0,0,0|1,0,2]=4 85 B7R0.2 NCC(O)CC(=O)O CS16710 [0,1,0,0,0,0|2,0,1]=4 86 B7R0.3 C=CCCC(O)CCl MC114485 [0,1,0,0,0,0|1,0,1]=3 87 B7R0.3 CCC(O)CCCO MC116029 [0,1,0,0,0,0|0,0,0]=1 88 B7R0.3 COC(=O)CCCBr MC427387 [0,1,0,0,0,0|1,0,2]=4 89 B7R0.3 COC(=O)CCCN MC439309 [0,1,0,0,0,0|1,0,2]=4 90 B7R0.3 CSCCC(N)CO MC437961 [0,1,0,0,0,0|2,0,0]=3 91 B7R0.5 CCCC(N)C(=O)O CS10518 [0,1,0,0,0,0|2,0,1]=4 92 B7R0.5 CCCC(N)C(=O)O CS17028 [0,1,0,0,0,0|2,0,1]=4 93 B7R0.5 CCCC(N)C(=O)O MC439125 [0,1,0,0,0,0|2,0,1]=4 94 B7R0.5 CCCC(N)C(N)=O MC438024 [0,1,0,0,0,0|2,0,1]=4 95 B7R0.5 CCOC(=O)C(C)C CS11388 [0,1,0,0,0,0|1,0,2]=4 96 B7R0.5 CCOC(=O)C(C)F MC439605 [0,1,0,0,0,0|1,0,2]=4 97 B7R0.5 CCOC(=O)C(C)N CS15404 [0,1,0,0,0,0|1,0,2]=4 98 B7R0.5 CCOC(=O)C(C)N MC436160 [0,1,0,0,0,0|1,0,2]=4 99 B7R0.5 CCOC(=O)C(C)O CS20075 [0,1,0,0,0,0|1,0,2]=4 100 B7R0.5 NCCC(O)C(=O)O CS15496 [0,1,0,0,0,0|2,0,1]=4 101 B7R0.5 NCCC(O)C(=O)O CS21759 [0,1,0,0,0,0|2,0,1]=4 102 B7R0.7 CCCC(N)CCO CS16692 [0,1,0,0,0,0|1,0,0]=2 103 B7R0.7 CCOC(=O)CCN CS14330 [0,1,0,0,0,0|1,0,2]=4 104 B7R0.7 CCOC(=O)CNC CS17068 [0,1,0,0,0,0|1,0,2]=4 105 B7R0.7 CCOC(=O)COC CS11389 [0,1,0,0,0,0|1,0,2]=4 106 B7R0.7 CN(CCCl)CCCl CS11572 [0,1,0,0,0,0|3,0,0]=4 107 B7R0.7 COCC(N)COC CS21215 [0,1,0,0,0,0|2,0,0]=3 108 B7R0.7 O=C(CCCl)CCCl CS19912 [0,1,0,0,0,0|1,0,2]=4 109 B7R0.10 CCC(Br)C(=O)OC CS14136 [0,1,0,0,0,0|1,0,2]=4 110 B7R0.10 CCC(C)C(N)CO CS18903 [0,1,0,0,0,0|2,0,0]=3 111 B7R0.10 CCC(C)C(N)CO MC437812 [0,1,0,0,0,0|2,0,0]=3 112 B7R0.10 CCC(N)C(=O)OC MC436010 [0,1,0,0,0,0|1,0,2]=4 113 B7R0.10 COC(=O)C(O)CO MC429048 [0,1,0,0,0,0|2,0,1]=4 114 B7R0.10 OC(CS)C(O)CS MC436992 [0,1,0,0,0,0|2,0,0]=3 115 B7R0.10 OC(CS)C(O)CS MC436993 [0,1,0,0,0,0|2,0,0]=3 116 B7R0.11 COCC(C)(C)CN MC418388 [0,1,0,0,0,0|3,0,0]=4 117 B7R0.11 COCC(C)(C)CN MC431431 [0,1,0,0,0,0|3,0,0]=4 118 B7R0.12 CCN(CC)CCCl CS16184 [0,1,0,0,0,0|3,0,0]=4 119 B7R0.12 CCN(CC)CCN MC21046 [0,1,0,0,0,0|3,0,0]=4 120 B7R0.12 COC(CSC)OC MC10796 [0,1,0,0,0,0|2,0,0]=3 121 B7R1.1 BrCC1CCCC1 MC20145 [0,0,0,1,0,0|2,0,0]=3 122 B7R1.1 BrCC1CCCN1 MC114648 [0,0,0,1,0,0|2,0,0]=3 123 B7R1.1 BrCC1CCCO1 MC106365 [0,0,0,1,0,0|1,0,0]=2 124 B7R1.1 BrCC1OCCO1 CS21401 [0,0,0,1,0,0|2,0,0]=3 125 B7R1.1 Br[Zn]C1CCCC1 MC121342 [0,0,0,1,0,0|3,0,0]=4 126 B7R1.1 CCC1CCCN1 MC110951 [0,0,0,1,0,0|1,0,0]=2 127 B7R1.1 CNC1CCOC1 MC104966 [0,0,0,1,0,0|3,0,0]=4 128 B7R1.1 CNC1CCOC1 MC105597 [0,0,0,1,0,0|3,0,0]=4 129 B7R1.1 COC1=NCCC1 CS10423 [0,0,0,1,0,0|2,0,1]=4 130 B7R1.1 COC1CCCN1 MC41692 [0,0,0,1,0,0|2,0,0]=3 131 B7R1.1 COC1CCNC1 CS12136 [0,0,0,1,0,0|3,0,0]=4 132 B7R1.1 COC1CCNC1 CS12137 [0,0,0,1,0,0|3,0,0]=4 133 B7R1.1 COC1CCNC1 CS22350 [0,0,0,1,0,0|3,0,0]=4 134 B7R1.1 ClCC1OCCO1 MC428002 [0,0,0,1,0,0|2,0,0]=3 135 B7R1.1 FCC1CCCN1 MC100102 [0,0,0,1,0,0|2,0,0]=3 136 B7R1.1 FCC1CCNC1 MC103199 [0,0,0,1,0,0|3,0,0]=4 137 B7R1.1 N#CC1CCCC1 MC433761 [0,0,0,1,0,0|2,0,1]=4 138 B7R1.1 N#CC1CCCN1 MC104069 [0,0,0,1,0,0|2,0,1]=4 139 B7R1.1 NCC1CCCC1 CS14873 [0,0,0,1,0,0|2,0,0]=3 140 B7R1.1 NCC1CCCN1 CS15469 [0,0,0,1,0,0|2,0,0]=3 141 B7R1.1 NCC1CCCN1 CS15745 [0,0,0,1,0,0|2,0,0]=3 142 B7R1.1 NCC1CCNC1 MC431426 [0,0,0,1,0,0|3,0,0]=4 143 B7R1.1 NCC1CCOC1 MC102307 [0,0,0,1,0,0|3,0,0]=4 144 B7R1.1 NCC1CCOC1 MC103862 [0,0,0,1,0,0|3,0,0]=4 145 B7R1.1 NCC1CCOC1 MC115675 [0,0,0,1,0,0|3,0,0]=4 146 B7R1.1 NCC1CCOC1 MC121256 [0,0,0,1,0,0|3,0,0]=4 147 B7R1.1 O=CC1CCCC1 MC21048 [0,0,0,1,0,0|2,0,1]=4 148 B7R1.1 OCC1CCCC1 CS11185 [0,0,0,1,0,0|2,0,0]=3 149 B7R1.1 OCC1CCCN1 CS17003 [0,0,0,1,0,0|2,0,0]=3 150 B7R1.1 OCC1CCCN1 CS22640 [0,0,0,1,0,0|2,0,0]=3 151 B7R1.1 OCC1CCCO1 MC20392 [0,0,0,1,0,0|1,0,0]=2 152 B7R1.1 OCC1CCNC1 CS11284 [0,0,0,1,0,0|3,0,0]=4 153 B7R1.1 OCC1CCNC1 CS16764 [0,0,0,1,0,0|3,0,0]=4 154 B7R1.1 OCC1CCNC1 CS18341 [0,0,0,1,0,0|3,0,0]=4 155 B7R1.1 OCC1CCNC1 MC102405 [0,0,0,1,0,0|3,0,0]=4 156 B7R1.1 OCC1CCNC1 MC115660 [0,0,0,1,0,0|3,0,0]=4 157 B7R1.1 OCC1CCOC1 MC113000 [0,0,0,1,0,0|3,0,0]=4 158 B7R1.1 OCC1CCOC1 MC113001 [0,0,0,1,0,0|3,0,0]=4 159 B7R1.1 OCC1CCOC1 MC427704 [0,0,0,1,0,0|3,0,0]=4 160 B7R1.2 CC1CCC(C)N1 MC102818 [0,0,0,1,0,0|2,0,0]=3 161 B7R1.2 CN1CCC(=O)C1 CS20760 [0,0,0,1,0,0|1,0,2]=4 162 B7R1.2 CN1CCC(N)C1 MC444033 [0,0,0,1,0,0|2,0,0]=3 163 B7R1.2 CN1CCC(N)C1 MC444055 [0,0,0,1,0,0|2,0,0]=3 164 B7R1.2 CN1CCC(N)C1 MC444130 [0,0,0,1,0,0|2,0,0]=3 165 B7R1.2 CN1CCC(O)C1 MC20690 [0,0,0,1,0,0|1,0,0]=2 166 B7R1.2 CN1CCC(O)C1 MC444062 [0,0,0,1,0,0|1,0,0]=2 167 B7R1.2 CN1CCC(O)C1 MC444273 [0,0,0,1,0,0|1,0,0]=2 168 B7R1.2 NC1CCC(O)C1 CS12946 [0,0,0,1,0,0|1,0,0]=2 169 B7R1.2 NC1CCC(O)C1 CS14798 [0,0,0,1,0,0|1,0,0]=2 170 B7R1.2 NC1CCC(O)C1 CS15869 [0,0,0,1,0,0|1,0,0]=2 171 B7R1.2 NC1CCC(O)C1 CS16172 [0,0,0,1,0,0|1,0,0]=2 172 B7R1.2 O=C1CC(O)CN1 CS14706 [0,0,0,1,0,0|2,0,1]=4 173 B7R1.2 O=C1CC(O)CN1 CS16472 [0,0,0,1,0,0|2,0,1]=4 174 B7R1.2 O=C1CCC(I)C1 MC115016 [0,0,0,1,0,0|1,0,2]=4 175 B7R1.3 BrC1CCCCC1 CS11079 [0,0,0,1,0,0|1,0,0]=2 176 B7R1.3 BrC1CCNCC1 CS18356 [0,0,0,1,0,0|2,0,0]=3 177 B7R1.3 BrC1CCOCC1 CS18193 [0,0,0,1,0,0|2,0,0]=3 178 B7R1.3 CC1CCCCN1 MC20418 [0,0,0,1,0,0|2,0,0]=3 179 B7R1.3 CC1CCCNC1 CS16133 [0,0,0,1,0,0|2,0,0]=3 180 B7R1.3 CC1CCCNC1 MC425227 [0,0,0,1,0,0|2,0,0]=3 181 B7R1.3 CC1CNCCN1 CS13503 [0,0,0,1,0,0|3,0,0]=4 182 B7R1.3 CC1CNCCN1 CS17164 [0,0,0,1,0,0|3,0,0]=4 183 B7R1.3 CC1CNCCN1 CS17167 [0,0,0,1,0,0|3,0,0]=4 184 B7R1.3 CC1CNCCO1 CS14515 [0,0,0,1,0,0|3,0,0]=4 185 B7R1.3 CC1CNCCO1 CS14521 [0,0,0,1,0,0|3,0,0]=4 186 B7R1.3 CC1CNCCO1 CS19299 [0,0,0,1,0,0|3,0,0]=4 187 B7R1.3 CC1CNCCO1 CS21692 [0,0,0,1,0,0|3,0,0]=4 188 B7R1.3 CC1CNCCO1 MC444038 [0,0,0,1,0,0|3,0,0]=4 189 B7R1.3 CC1CNCCO1 MC444192 [0,0,0,1,0,0|3,0,0]=4 190 B7R1.3 CC1COCCN1 CS14856 [0,0,0,1,0,0|3,0,0]=4 191 B7R1.3 CC1COCCN1 CS20285 [0,0,0,1,0,0|3,0,0]=4 192 B7R1.3 CC1COCCN1 CS22371 [0,0,0,1,0,0|3,0,0]=4 193 B7R1.3 CC1COCCN1 CS22413 [0,0,0,1,0,0|3,0,0]=4 194 B7R1.3 CC1COCCN1 MC20820 [0,0,0,1,0,0|3,0,0]=4 195 B7R1.3 CN1CCNCC1 MC20458 [0,0,0,1,0,0|3,0,0]=4 196 B7R1.3 ClC1CCNCC1 CS16938 [0,0,0,1,0,0|2,0,0]=3 197 B7R1.3 FC1CCCNC1 MC101908 [0,0,0,1,0,0|2,0,0]=3 198 B7R1.3 FC1CCCNC1 MC101918 [0,0,0,1,0,0|2,0,0]=3 199 B7R1.3 FC1CCCNC1 MC444270 [0,0,0,1,0,0|2,0,0]=3 200 B7R1.3 FC1CCNCC1 CS22845 [0,0,0,1,0,0|2,0,0]=3 201 B7R1.3 IC1CCOCC1 CS18194 [0,0,0,1,0,0|2,0,0]=3 202 B7R1.3 NC1CCCNC1 CS17178 [0,0,0,1,0,0|2,0,0]=3 203 B7R1.3 NC1CCCNC1 CS17182 [0,0,0,1,0,0|2,0,0]=3 204 B7R1.3 NC1CCCNC1 CS22655 [0,0,0,1,0,0|2,0,0]=3 205 B7R1.3 NC1CCOCC1 CS16997 [0,0,0,1,0,0|2,0,0]=3 206 B7R1.3 NC1CCOCC1 CS18985 [0,0,0,1,0,0|2,0,0]=3 207 B7R1.3 O=C1CCCCN1 MC429045 [0,0,0,1,0,0|1,0,2]=4 208 B7R1.3 O=C1CCCCO1 CS11208 [0,0,0,1,0,0|1,0,2]=4 209 B7R1.3 O=C1CCCNC1 CS14768 [0,0,0,1,0,0|1,0,2]=4 210 B7R1.3 O=C1CCCNC1 CS17767 [0,0,0,1,0,0|1,0,2]=4 211 B7R1.3 O=C1CCCOC1 MC31097 [0,0,0,1,0,0|1,0,2]=4 212 B7R1.3 O=C1CCNCC1 CS22790 [0,0,0,1,0,0|1,0,2]=4 213 B7R1.3 O=C1CCOCC1 CS13380 [0,0,0,1,0,0|1,0,2]=4 214 B7R1.3 O=C1CCSCC1 CS18797 [0,0,0,1,0,0|1,0,2]=4 215 B7R1.3 OC1CCCNC1 CS17016 [0,0,0,1,0,0|1,0,0]=2 216 B7R1.3 OC1CCCNC1 CS17020 [0,0,0,1,0,0|1,0,0]=2 217 B7R1.3 OC1CCCNC1 CS22642 [0,0,0,1,0,0|1,0,0]=2 218 B7R1.3 OC1CCCOC1 CS17782 [0,0,0,1,0,0|1,0,0]=2 219 B7R1.3 OC1CCNCC1 CS14900 [0,0,0,1,0,0|1,0,0]=2 220 B7R1.3 OC1CCNCC1 CS22643 [0,0,0,1,0,0|1,0,0]=2 221 B7R1.3 OC1CCOCC1 CS13929 [0,0,0,1,0,0|1,0,0]=2 222 B7R1.3 OC1CCSCC1 CS12012 [0,0,0,1,0,0|1,0,0]=2 223 B7R1.3 SC1CCCNC1 MC105166 [0,0,0,1,0,0|1,1,0]=3 224 B7R1.3 SC1CCOCC1 MC107026 [0,0,0,1,0,0|1,1,0]=3 225 B7R1.4 CC1COCC1N MC444024 [0,0,0,1,0,0|2,0,0]=3 226 B7R1.4 CC1OCCC1=O CS14135 [0,0,0,1,0,0|1,0,2]=4 227 B7R1.4 CN1CCCC1=O MC41699 [0,0,0,1,0,0|1,0,2]=4 228 B7R1.4 NC1CCCC1O CS11147 [0,0,0,1,0,0|1,0,0]=2 229 B7R1.4 NC1CCCC1O CS15594 [0,0,0,1,0,0|1,0,0]=2 230 B7R1.4 NC1CCCC1O CS18884 [0,0,0,1,0,0|1,0,0]=2 231 B7R1.4 NC1CCCC1O CS19404 [0,0,0,1,0,0|1,0,0]=2 232 B7R1.4 NC1COCC1N MC101979 [0,0,0,1,0,0|3,0,0]=4 233 B7R1.4 NC1COCC1N MC101980 [0,0,0,1,0,0|3,0,0]=4 234 B7R1.4 NC1COCC1N MC103863 [0,0,0,1,0,0|3,0,0]=4 235 B7R1.4 NC1COCC1N MC113515 [0,0,0,1,0,0|3,0,0]=4 236 B7R1.4 NC1COCC1N MC444023 [0,0,0,1,0,0|3,0,0]=4 237 B7R1.4 NC1COCC1O MC105386 [0,0,0,1,0,0|2,0,0]=3 238 B7R1.4 NC1COCC1O MC105387 [0,0,0,1,0,0|2,0,0]=3 239 B7R1.4 NC1COCC1O MC431325 [0,0,0,1,0,0|2,0,0]=3 240 B7R1.4 O=C1CCCC1Br MC445112 [0,0,0,1,0,0|1,0,2]=4 241 B7R1.4 O=C1NCCC1O CS19486 [0,0,0,1,0,0|2,0,1]=4 242 B7R1.4 O=C1NCCC1O MC115910 [0,0,0,1,0,0|2,0,1]=4 243 B7R1.4 O=C1NCCC1O MC444274 [0,0,0,1,0,0|2,0,1]=4 244 B7R1.4 OC1CNCC1O CS20186 [0,0,0,1,0,0|2,0,0]=3 245 B7R1.4 OC1CNCC1O MC103857 [0,0,0,1,0,0|2,0,0]=3 246 B7R1.6 COCC1CCN1 MC103809 [0,0,0,1,0,0|2,0,0]=3 247 B7R1.6 COCC1CCN1 MC103810 [0,0,0,1,0,0|2,0,0]=3 248 B7R1.6 COCC1CNC1 MC444220 [0,0,0,1,0,0|3,0,0]=4 249 B7R1.6 ClCCN1CCC1 MC103600 [0,0,0,1,0,0|3,0,0]=4 250 B7R1.6 NNCC1CCC1 MC106836 [0,0,0,1,0,0|3,0,0]=4 251 B7R1.6 OCCN1CCC1 MC106862 [0,0,0,1,0,0|3,0,0]=4 252 B7R1.8 CN1CCC1CN MC104666 [0,0,0,1,0,0|3,0,0]=4 253 B7R1.8 CN1CCC1CN MC104667 [0,0,0,1,0,0|3,0,0]=4 254 B7R1.8 CN1CCC1CN MC105491 [0,0,0,1,0,0|3,0,0]=4 255 B7R1.8 O=C1CCC1CO MC104211 [0,0,0,1,0,0|1,0,2]=4 256 B7R1.8 O=C1CCC1CO MC104212 [0,0,0,1,0,0|1,0,2]=4 257 B7R1.8 O=C1CCC1CO MC104213 [0,0,0,1,0,0|1,0,2]=4 258 B7R1.10 CCN1CC(N)C1 MC103459 [0,0,0,1,0,0|3,0,0]=4 259 B7R1.10 CCN1CC(O)C1 MC444112 [0,0,0,1,0,0|3,0,0]=4 260 B7R1.10 CN1CC(CBr)C1 MC106288 [0,0,0,1,0,0|3,0,0]=4 261 B7R1.10 CNC1CC(O)C1 MC104910 [0,0,0,1,0,0|3,0,0]=4 262 B7R1.10 CNC1CC(O)C1 MC444221 [0,0,0,1,0,0|3,0,0]=4 263 B7R1.10 CNC1CN(C)C1 MC103651 [0,0,0,1,0,0|3,0,0]=4 264 B7R1.10 COC1CC(N)C1 MC102191 [0,0,0,1,0,0|3,0,0]=4 265 B7R1.10 COC1CC(N)C1 MC102192 [0,0,0,1,0,0|3,0,0]=4 266 B7R1.10 COC1CC(N)C1 MC105249 [0,0,0,1,0,0|3,0,0]=4 267 B7R1.10 COC1CC(N)C1 MC105250 [0,0,0,1,0,0|3,0,0]=4 268 B7R1.10 COC1CC(N)C1 MC112995 [0,0,0,1,0,0|3,0,0]=4 269 B7R1.10 COC1CC(N)C1 MC444289 [0,0,0,1,0,0|3,0,0]=4 270 B7R1.10 NC1CC(CO)C1 MC101938 [0,0,0,1,0,0|3,0,0]=4 271 B7R1.10 NC1CC(CO)C1 MC101939 [0,0,0,1,0,0|3,0,0]=4 272 B7R1.10 NC1CC(CO)C1 MC103939 [0,0,0,1,0,0|3,0,0]=4 273 B7R1.10 NC1CC(CO)C1 MC104003 [0,0,0,1,0,0|3,0,0]=4 274 B7R1.10 NC1CC(CO)C1 MC104004 [0,0,0,1,0,0|3,0,0]=4 275 B7R1.10 NC1CC(CO)C1 MC112994 [0,0,0,1,0,0|3,0,0]=4 276 B7R1.10 NCC1CC(F)C1 MC103708 [0,0,0,1,0,0|3,0,0]=4 277 B7R1.10 NCC1CC(F)C1 MC104711 [0,0,0,1,0,0|3,0,0]=4 278 B7R1.10 NCC1CC(F)C1 MC444589 [0,0,0,1,0,0|3,0,0]=4 279 B7R1.10 NCC1CC(O)C1 MC101920 [0,0,0,1,0,0|3,0,0]=4 280 B7R1.10 NCC1CC(O)C1 MC101929 [0,0,0,1,0,0|3,0,0]=4 281 B7R1.10 NCC1CC(O)C1 MC103940 [0,0,0,1,0,0|3,0,0]=4 282 B7R1.10 NCC1CC(O)C1 MC113027 [0,0,0,1,0,0|3,0,0]=4 283 B7R1.10 NCC1CC(O)C1 MC115656 [0,0,0,1,0,0|3,0,0]=4 284 B7R1.21 CCOC1(O)CC1 CS16017 [0,0,0,1,0,0|1,0,0]=2 285 B7R1.22 COC(=O)C1CC1 MC41839 [0,0,0,1,0,0|1,0,2]=4 286 B7R1.22 O=C(CBr)C1CC1 MC433212 [0,0,0,1,0,0|1,0,2]=4 287 B7R1.25 C#CC1(O)CNC1 MC105576 [0,0,0,1,0,0|1,0,2]=4 288 B7R1.25 CC1(CBr)COC1 CS22179 [0,0,0,1,0,0|3,0,0]=4 289 B7R1.25 CC1(CN)CCC1 MC104689 [0,0,0,1,0,0|2,0,0]=3 290 B7R1.25 CC1(CN)CCC1 MC121097 [0,0,0,1,0,0|2,0,0]=3 291 B7R1.25 CC1(CN)CNC1 MC102409 [0,0,0,1,0,0|3,0,0]=4 292 B7R1.25 CC1(CN)COC1 CS22390 [0,0,0,1,0,0|3,0,0]=4 293 B7R1.25 CC1(CO)CCO1 MC102954 [0,0,0,1,0,0|3,0,0]=4 294 B7R1.25 CC1(CO)COC1 CS16968 [0,0,0,1,0,0|3,0,0]=4 295 B7R1.25 CC1(CO)CSC1 MC121099 [0,0,0,1,0,0|3,0,0]=4 296 B7R1.25 CC1(CS)COC1 MC115780 [0,0,0,1,0,0|3,0,0]=4 297 B7R1.25 CCC1(N)CNC1 MC105492 [0,0,0,1,0,0|2,0,0]=3 298 B7R1.25 CCC1(N)COC1 MC102900 [0,0,0,1,0,0|2,0,0]=3 299 B7R1.25 CCC1(O)CNC1 MC444268 [0,0,0,1,0,0|1,0,0]=2 300 B7R1.25 CNC1(C)COC1 MC115767 [0,0,0,1,0,0|3,0,0]=4 301 B7R1.25 COC1(C)CNC1 MC112993 [0,0,0,1,0,0|3,0,0]=4 302 B7R1.25 FC1(CBr)COC1 MC113194 [0,0,0,1,0,0|3,0,0]=4 303 B7R1.25 FC1(CI)COC1 MC102471 [0,0,0,1,0,0|3,0,0]=4 304 B7R1.25 NC1(CO)COC1 MC102014 [0,0,0,1,0,0|3,0,0]=4 305 B7R1.25 NCC1(F)COC1 MC102450 [0,0,0,1,0,0|3,0,0]=4 306 B7R1.25 NCC1(N)CCC1 CS17914 [0,0,0,1,0,0|2,0,0]=3 307 B7R1.25 NCC1(O)CCC1 CS12835 [0,0,0,1,0,0|1,0,0]=2 308 B7R1.25 OCC1(F)CNC1 MC103712 [0,0,0,1,0,0|3,0,0]=4 309 B7R1.25 OCC1(F)COC1 MC121269 [0,0,0,1,0,0|3,0,0]=4 310 B4R0.1 C#CC(C)O MC427719 [2,0,0,0,0,0|0,0,2]=4 311 B4R0.1 CC(Cl)CO CS20251 [2,0,0,0,0,0|2,0,0]=4 312 B4R0.1 CC(Cl)CO MC428270 [2,0,0,0,0,0|2,0,0]=4 313 B4R0.1 CC(N)CN CS20323 [2,0,0,0,0,0|2,0,0]=4 314 B4R0.1 CC(N)CN MC10147 [2,0,0,0,0,0|2,0,0]=4 315 B4R0.1 CC(N)CO CS14182 [2,0,0,0,0,0|2,0,0]=4 316 B4R0.1 CC(N)CO CS19476 [2,0,0,0,0,0|2,0,0]=4 317 B4R0.1 CC(N)CO CS21310 [2,0,0,0,0,0|2,0,0]=4 318 B4R0.1 CC(O)CCl MC20696 [2,0,0,0,0,0|1,0,0]=3 319 B4R0.1 CC(O)CCl MC20697 [2,0,0,0,0,0|1,0,0]=3 320 B4R0.1 CC(O)CN CS14075 [2,0,0,0,0,0|1,0,0]=3 321 B4R0.1 CC(O)CO MC20330 [2,0,0,0,0,0|1,0,0]=3 322 B4R0.1 CCB(O)O CS13979 [2,0,0,0,0,0|2,0,0]=4 323 B4R0.1 CCC(C)O MC10786 [2,0,0,0,0,0|0,0,0]=2 324 B4R0.2 CCCC=O MC41868 [2,0,0,0,0,0|0,0,2]=4 325 B4R0.2 CCCCO MC41869 [2,0,0,0,0,0|0,0,0]=2 326 B4R0.2 CCC[Zn]Br MC121348 [2,0,0,0,0,0|2,0,0]=4 327 B4R0.2 CCNCC CS11240 [2,0,0,0,0,0|1,0,0]=3 328 B4R0.2 CCOCC MC41960 [2,0,0,0,0,0|1,0,0]=3 329 B4R0.2 CC[Zn]CC MC10752 [2,0,0,0,0,0|1,0,0]=3 330 B4R0.2 CNCCO CS20910 [2,0,0,0,0,0|1,0,0]=3 331 B4R0.2 COCCCl MC428007 [2,0,0,0,0,0|2,0,0]=4 332 B4R0.2 ClCCCBr MC41861 [2,0,0,0,0,0|2,0,0]=4 333 B4R0.2 NCCCBr CS22190 [2,0,0,0,0,0|2,0,0]=4 334 B4R0.2 NCCCS MC428180 [2,0,0,0,0,0|1,1,0]=4 335 B4R0.2 [NH3+]CCCS MC428140 [2,0,0,0,0,0|1,1,0]=4 336 B6R0.2 CC(Br)CC(=O)O MC106689 [1,1,0,0,0,0|1,0,1]=4 337 B6R0.2 CC(C)CB(O)O CS22276 [1,1,0,0,0,0|2,0,0]=4 338 B6R0.2 CC(C)PC(C)C MC444830 [1,1,0,0,0,0|2,0,0]=4 339 B6R0.2 CC(N)CC(=O)O CS19028 [1,1,0,0,0,0|1,0,1]=4 340 B6R0.2 CC(N)CC(=O)O CS20346 [1,1,0,0,0,0|1,0,1]=4 341 B6R0.2 CC(N)CC(=O)O MC439098 [1,1,0,0,0,0|1,0,1]=4 342 B6R0.2 CC(O)CC(=O)O MC426020 [1,1,0,0,0,0|1,0,1]=4 343 B6R0.2 CC(O)CC(=O)O MC426021 [1,1,0,0,0,0|1,0,1]=4 344 B6R0.2 CC(O)CC(=O)[O-] CS20253 [1,1,0,0,0,0|1,0,1]=4 345 B6R0.3 CC(C)C(C)CO MC113312 [1,1,0,0,0,0|2,0,0]=4 346 B6R0.3 CC(C)C(N)CO CS17224 [1,1,0,0,0,0|2,0,0]=4 347 B6R0.3 CC(C)C(N)CO CS22659 [1,1,0,0,0,0|2,0,0]=4 348 B6R0.3 CC(O)C(N)CO MC438221 [1,1,0,0,0,0|1,0,0]=3 349 B6R0.3 CCC(Br)C(=O)O MC426015 [1,1,0,0,0,0|1,0,1]=4 350 B6R0.3 CCC(Cl)C(=O)O MC426016 [1,1,0,0,0,0|1,0,1]=4 351 B6R0.3 CCC(N)B(O)O MC442680 [1,1,0,0,0,0|2,0,0]=4 352 B6R0.3 CCC(N)B(O)O MC442681 [1,1,0,0,0,0|2,0,0]=4 353 B6R0.3 CCC(N)C(=O)O CS13661 [1,1,0,0,0,0|1,0,1]=4 354 B6R0.3 CCC(N)C(=O)O CS14054 [1,1,0,0,0,0|1,0,1]=4 355 B6R0.3 CCC(N)C(=O)O CS14084 [1,1,0,0,0,0|1,0,1]=4 356 B6R0.3 COC(=O)C(C)O MC20343 [1,1,0,0,0,0|1,0,1]=4 357 B6R0.4 CC(=O)CCCBr CS10305 [1,1,0,0,0,0|0,0,2]=4 358 B6R0.4 CC(=O)CCCCl CS10334 [1,1,0,0,0,0|0,0,2]=4 359 B6R0.4 CC(C)CCC=O MC428026 [1,1,0,0,0,0|1,0,1]=4 360 B6R0.4 CC(C)CCCO MC428025 [1,1,0,0,0,0|1,0,0]=3 361 B6R0.4 CC(C)NCCN MC20461 [1,1,0,0,0,0|2,0,0]=4 362 B6R0.4 CN(C)CCCBr CS22184 [1,1,0,0,0,0|2,0,0]=4 363 B6R0.4 CN(C)CCCCl CS13505 [1,1,0,0,0,0|2,0,0]=4 364 B6R0.4 CN(C)CCCCl CS14943 [1,1,0,0,0,0|2,0,0]=4 365 B6R0.4 CNCCN(C)C CS11723 [1,1,0,0,0,0|2,0,0]=4 366 B6R0.4 CNCCN(C)C CS15131 [1,1,0,0,0,0|2,0,0]=4 367 B6R0.4 NCCCC(=O)O CS14998 [1,1,0,0,0,0|1,0,1]=4 368 B6R0.4 O=C(O)CCCBr CS14053 [1,1,0,0,0,0|1,0,1]=4 369 B6R0.5 CC(C)(C)CCO CS21905 [1,1,0,0,0,0|2,0,0]=4 370 B6R0.5 CC(C)(F)CCN MC116087 [1,1,0,0,0,0|2,0,0]=4 371 B6R0.5 CC(C)(O)CCBr CS15788 [1,1,0,0,0,0|1,0,0]=3 372 B6R0.5 CC(C)(O)CON MC427561 [1,1,0,0,0,0|2,0,0]=4 373 B6R0.5 CCCS(=O)(=O)O MC32073 [1,1,0,0,0,0|2,0,0]=4 374 B6R0.6 BrCCCCCBr MC41886 [1,1,0,0,0,0|1,0,0]=3 375 B6R0.6 BrCCNCCBr CS11032 [1,1,0,0,0,0|2,0,0]=4 376 B6R0.6 C#CCCCCO MC424004 [1,1,0,0,0,0|0,0,2]=4 377 B6R0.6 C=CCCCCCl MC427568 [1,1,0,0,0,0|0,0,2]=4 378 B6R0.6 C=CCCCCN MC111853 [1,1,0,0,0,0|0,0,2]=4 379 B6R0.6 C=CCCCCO CS10397 [1,1,0,0,0,0|0,0,2]=4 380 B6R0.6 CCCOCCCl MC428009 [1,1,0,0,0,0|1,0,0]=3 381 B6R0.6 COCCCC=O MC111975 [1,1,0,0,0,0|1,0,1]=4 382 B6R0.6 COCCCCBr CS22933 [1,1,0,0,0,0|1,0,0]=3 383 B6R0.6 COCCCCCl MC428014 [1,1,0,0,0,0|1,0,0]=3 384 B6R0.6 ClCCNCCCl CS16038 [1,1,0,0,0,0|2,0,0]=4 385 B6R0.6 ClCCOCCCl MC41873 [1,1,0,0,0,0|2,0,0]=4 386 B6R0.6 FCCCCCBr CS14708 [1,1,0,0,0,0|1,0,0]=3 387 B6R0.6 FCCCC[Mg]Br MC116032 [1,1,0,0,0,0|2,0,0]=4 388 B6R0.6 N#CCCCCCl CS10359 [1,1,0,0,0,0|1,0,1]=4 389 B6R0.6 NCCCCCN CS19074 [1,1,0,0,0,0|1,0,0]=3 390 B6R0.6 OCCCCCCl CS14778 [1,1,0,0,0,0|1,0,0]=3 391 B6R0.6 OCCCCCO CS20549 [1,1,0,0,0,0|1,0,0]=3 392 B6R0.6 OCCOCCO MC41893 [1,1,0,0,0,0|2,0,0]=4 393 B6R0.6 SCCOCCS MC112783 [1,1,0,0,0,0|2,0,0]=4 394 B6R0.9 CCN(CC)CC MC426119 [1,1,0,0,0,0|2,0,0]=4 395 B6R0.9 CCP(CC)CC MC444861 [1,1,0,0,0,0|2,0,0]=4 396 B6R0.9 CCP(CC)CC MC444910 [1,1,0,0,0,0|2,0,0]=4 397 B6R0.9 CC[SiH](CC)CC MC41948 [1,1,0,0,0,0|1,1,0]=4 398 B6R0.9 COC(CBr)OC MC428001 [1,1,0,0,0,0|2,0,0]=4 399 B6R0.9 COC(CCl)OC MC428004 [1,1,0,0,0,0|2,0,0]=4 400 B6R0.9 COC(CN)OC MC428005 [1,1,0,0,0,0|2,0,0]=4 401 B6R0.9 COC(OC)OC MC41951 [1,1,0,0,0,0|2,0,0]=4 402 B8R0.5 CCOC(=O)CC(C)O CS11353 [0,2,0,0,0,0|0,0,2]=4 403 B8R0.5 CCOC(=O)CC(C)O CS18545 [0,2,0,0,0,0|0,0,2]=4 404 B8R0.16 COC(CN(C)C)OC MC428015 [0,2,0,0,0,0|2,0,0]=4 405 B8R0.19 CCC(=O)CC(=O)CC CS22007 [0,2,0,0,0,0|0,0,2]=4 406 B8R0.19 COC(=O)CC(O)CCl CS18252 [0,2,0,0,0,0|1,0,1]=4 407 B8R0.23 CC(C)CC(O)C(=O)O MC426019 [0,2,0,0,0,0|1,0,1]=4 408 B8R0.23 CC(C)CC(O)C(=O)O MC437768 [0,2,0,0,0,0|1,0,1]=4 409 B8R0.23 CC(C)CC(O)C(=O)O MC446675 [0,2,0,0,0,0|1,0,1]=4 410 B8R0.1 CCCC(C)CCCO MC112367 [0,2,0,0,0,0|1,0,0]=3 411 B8R0.1 CCOC(=O)CCCO MC111642 [0,2,0,0,0,0|0,0,2]=4 412 B8R0.3 CCCC(N)C(=O)OC MC438026 [0,2,0,0,0,0|1,0,1]=4 413 B8R0.3 CCNC(=O)C(N)CC MC116564 [0,2,0,0,0,0|0,0,2]=4 414 B8R0.3 CCNC(=O)C(N)CC MC116565 [0,2,0,0,0,0|0,0,2]=4 415 B8R0.3 O=CCC(O)C(O)CO CS21863 [0,2,0,0,0,0|1,0,1]=4 416 B8R0.6 C=CCOCC(O)CO MC436170 [0,2,0,0,0,0|1,0,1]=4 417 B8R0.6 CCCCCC(O)CCl MC114490 [0,2,0,0,0,0|1,0,0]=3 418 B8R0.6 OCCCCC(O)CO MC41917 [0,2,0,0,0,0|1,0,0]=3 419 B8R0.6 OCCOCC(O)CO MC112470 [0,2,0,0,0,0|1,0,0]=3 420 B8R0.9 CC(C)NCC(O)CO MC437813 [0,2,0,0,0,0|1,0,0]=3 421 B8R0.9 CC(C)NCC(O)CO MC437814 [0,2,0,0,0,0|1,0,0]=3 422 B8R0.9 CC(C)NCC(O)CO MC445487 [0,2,0,0,0,0|1,0,0]=3 423 B8R0.11 COC(CCC#N)OC CS18422 [0,2,0,0,0,0|1,0,1]=4 424 B8R0.15 CCCC(NC)C(=O)O MC435490 [0,2,0,0,0,0|1,0,0]=3 425 B8R0.15 CCCC(NC)C(=O)O MC437925 [0,2,0,0,0,0|1,0,0]=3 426 B8R0.22 C#CC(OCC)OCC CS11884 [0,2,0,0,0,0|2,0,0]=4 427 B8R0.22 CCOC(CBr)OCC MC20525 [0,2,0,0,0,0|2,0,0]=4 428 B8R0.22 CCOC(CCl)OCC MC428003 [0,2,0,0,0,0|2,0,0]=4 429 B8R0.22 CCOC(CN)OCC MC428006 [0,2,0,0,0,0|2,0,0]=4 430 B8R0.22 CCOC(CO)OCC CS19208 [0,2,0,0,0,0|1,0,0]=3 431 B6R1.2 BrC1CCNC1 CS15742 [1,0,0,1,0,0|2,0,0]=4 432 B6R1.2 BrC1CCOC1 CS14643 [1,0,0,1,0,0|2,0,0]=4 433 B6R1.2 CC1=NCCC1 CS21664 [1,0,0,1,0,0|1,0,1]=4 434 B6R1.2 CC1CCCN1 CS18299 [1,0,0,1,0,0|1,0,0]=3 435 B6R1.2 CC1CCCN1 CS18800 [1,0,0,1,0,0|1,0,0]=3 436 B6R1.2 CC1CCCN1 CS19735 [1,0,0,1,0,0|1,0,0]=3 437 B6R1.2 CC1CCCN1 CS21699 [1,0,0,1,0,0|1,0,0]=3 438 B6R1.2 CC1CCCN1 CS21700 [1,0,0,1,0,0|1,0,0]=3 439 B6R1.2 CC1CCCN1 MC428345 [1,0,0,1,0,0|1,0,0]=3 440 B6R1.2 CC1CCCO1 MC20580 [1,0,0,1,0,0|0,0,0]=2 441 B6R1.2 FC1CCNC1 CS12894 [1,0,0,1,0,0|2,0,0]=4 442 B6R1.2 FC1CCNC1 CS14870 [1,0,0,1,0,0|2,0,0]=4 443 B6R1.2 FC1CCNC1 MC31003 [1,0,0,1,0,0|2,0,0]=4 444 B6R1.2 IC1CCOC1 MC101926 [1,0,0,1,0,0|2,0,0]=4 445 B6R1.2 NC1CCOC1 CS12010 [1,0,0,1,0,0|2,0,0]=4 446 B6R1.2 NC1CCOC1 CS13003 [1,0,0,1,0,0|2,0,0]=4 447 B6R1.2 NC1CCOC1 CS20366 [1,0,0,1,0,0|2,0,0]=4 448 B6R1.2 NC1CCOC1 MC443324 [1,0,0,1,0,0|2,0,0]=4 449 B6R1.2 NC1CCOC1 MC444237 [1,0,0,1,0,0|2,0,0]=4 450 B6R1.2 O=C1CCCC1 MC21085 [1,0,0,1,0,0|0,0,2]=4 451 B6R1.2 OC1CC=CC1 MC10342 [1,0,0,1,0,0|0,0,2]=4 452 B6R1.2 OC1CCNC1 CS16166 [1,0,0,1,0,0|1,0,0]=3 453 B6R1.2 OC1CCNC1 CS16635 [1,0,0,1,0,0|1,0,0]=3 454 B6R1.2 OC1CCNC1 CS16650 [1,0,0,1,0,0|1,0,0]=3 455 B6R1.2 OC1CCNC1 CS17407 [1,0,0,1,0,0|1,0,0]=3 456 B6R1.2 OC1CCNC1 CS21757 [1,0,0,1,0,0|1,0,0]=3 457 B6R1.2 OC1CCOC1 CS20284 [1,0,0,1,0,0|1,0,0]=3 458 B6R1.2 OC1CCOC1 MC42235 [1,0,0,1,0,0|1,0,0]=3 459 B6R1.2 OC1CCOC1 MC444279 [1,0,0,1,0,0|1,0,0]=3 460 B6R1.3 NCCC1CC1 MC425320 [1,0,0,1,0,0|2,0,0]=4 461 B6R1.3 OCCC1CC1 MC433884 [1,0,0,1,0,0|2,0,0]=4 462 B6R1.5 CC1CC(N)C1 MC105778 [1,0,0,1,0,0|1,0,0]=3 463 B6R1.5 CN1CC(N)C1 MC444125 [1,0,0,1,0,0|2,0,0]=4 464 B6R1.5 CN1CC(O)C1 MC444271 [1,0,0,1,0,0|1,0,0]=3 465 B6R1.5 CN1CC(O)C1 MC444272 [1,0,0,1,0,0|1,0,0]=3 466 B6R1.5 NC1CC(F)C1 MC101921 [1,0,0,1,0,0|2,0,0]=4 467 B6R1.5 NC1CC(F)C1 MC104866 [1,0,0,1,0,0|2,0,0]=4 468 B6R1.5 NC1CC(F)C1 MC104867 [1,0,0,1,0,0|2,0,0]=4 469 B6R1.5 NC1CC(F)C1 MC112996 [1,0,0,1,0,0|2,0,0]=4 470 B6R1.5 NC1CC(F)C1 MC115644 [1,0,0,1,0,0|2,0,0]=4 471 B6R1.5 NC1CC(F)C1 MC444599 [1,0,0,1,0,0|2,0,0]=4 472 B6R1.5 NC1CC(N)C1 MC103595 [1,0,0,1,0,0|2,0,0]=4 473 B6R1.5 NC1CC(N)C1 MC103596 [1,0,0,1,0,0|2,0,0]=4 474 B6R1.5 NC1CC(N)C1 MC103597 [1,0,0,1,0,0|2,0,0]=4 475 B6R1.5 NC1CC(N)C1 MC103598 [1,0,0,1,0,0|2,0,0]=4 476 B6R1.5 NC1CC(N)C1 MC104654 [1,0,0,1,0,0|2,0,0]=4 477 B6R1.5 NC1CC(O)C1 MC105248 [1,0,0,1,0,0|1,0,0]=3 478 B6R1.5 NC1CC(O)C1 MC105286 [1,0,0,1,0,0|1,0,0]=3 479 B6R1.5 NC1CC(O)C1 MC444231 [1,0,0,1,0,0|1,0,0]=3 480 B6R1.5 NC1CC(O)C1 MC444480 [1,0,0,1,0,0|1,0,0]=3 481 B6R1.5 NC1CC(O)C1 MC444598 [1,0,0,1,0,0|1,0,0]=3 482 B6R1.5 OC1CC(F)C1 MC103711 [1,0,0,1,0,0|1,0,0]=3 483 B6R1.5 OC1CC(F)C1 MC104375 [1,0,0,1,0,0|1,0,0]=3 484 B6R1.5 OC1CC(F)C1 MC104868 [1,0,0,1,0,0|1,0,0]=3 485 B6R1.8 OCC1CC1F MC102847 [1,0,0,1,0,0|2,0,0]=4 486 B6R1.8 OCC1CC1F MC102848 [1,0,0,1,0,0|2,0,0]=4 487 B6R1.8 OCC1CC1F MC102849 [1,0,0,1,0,0|2,0,0]=4 488 B6R1.8 OCC1CC1F MC102850 [1,0,0,1,0,0|2,0,0]=4 489 B6R1.10 CC1(F)CNC1 MC102153 [1,0,0,1,0,0|2,0,0]=4 490 B6R1.10 CC1(N)COC1 CS14859 [1,0,0,1,0,0|2,0,0]=4 491 B6R1.10 CC1(N)COC1 MC444292 [1,0,0,1,0,0|2,0,0]=4 492 B6R1.10 CC1(N)CSC1 MC113158 [1,0,0,1,0,0|2,0,0]=4 493 B6R1.10 CC1(O)CNC1 CS15502 [1,0,0,1,0,0|1,0,0]=3 494 B6R1.11 CC(I)C1CC1 MC429998 [1,0,0,1,0,0|1,0,0]=3 495 B6R1.11 CC(N)C1CC1 MC428207 [1,0,0,1,0,0|1,0,0]=3 496 B6R1.11 O=C(O)C1CC1 CS13839 [1,0,0,1,0,0|1,0,1]=4 497 B6R1.11 OB(O)C1CC1 MC20194 [1,0,0,1,0,0|2,0,0]=4 498 B6R1.1 C1CCCCC1 MC41853 [1,0,0,1,0,0|0,0,0]=2 499 B6R1.1 C1CCNNC1 CS17893 [1,0,0,1,0,0|2,0,0]=4 500 B6R1.1 C1CC[NH2+]CC1 CS16333 [1,0,0,1,0,0|1,0,0]=3 501 B6R1.1 C1CNCCN1 MC41703 [1,0,0,1,0,0|2,0,0]=4 502 B6R1.1 C1COCCN1 MC20726 [1,0,0,1,0,0|2,0,0]=4 503 B6R1.1 C1CSCCN1 MC20759 [1,0,0,1,0,0|2,0,0]=4 504 B6R1.4 NC1CCC1O MC111877 [1,0,0,1,0,0|2,0,0]=4 505 B6R1.6 BrCC1CCC1 MC10470 [1,0,0,1,0,0|1,0,0]=3 506 B6R1.6 BrCC1CCO1 MC444177 [1,0,0,1,0,0|2,0,0]=4 507 B6R1.6 CNC1CNC1 MC444567 [1,0,0,1,0,0|2,0,0]=4 508 B6R1.6 CNC1COC1 MC425340 [1,0,0,1,0,0|2,0,0]=4 509 B6R1.6 CNC1COC1 MC444120 [1,0,0,1,0,0|2,0,0]=4 510 B6R1.6 COC1CNC1 CS17370 [1,0,0,1,0,0|2,0,0]=4 511 B6R1.6 Cl[Zn]C1CCC1 MC121327 [1,0,0,1,0,0|2,0,0]=4 512 B6R1.6 ICC1COC1 MC101907 [1,0,0,1,0,0|2,0,0]=4 513 B6R1.6 NCC1CCC1 CS11178 [1,0,0,1,0,0|1,0,0]=3 514 B6R1.6 NCC1CCN1 MC121273 [1,0,0,1,0,0|2,0,0]=4 515 B6R1.6 NCC1CCO1 MC121118 [1,0,0,1,0,0|2,0,0]=4 516 B6R1.6 NCC1CNC1 MC105370 [1,0,0,1,0,0|2,0,0]=4 517 B6R1.6 NCC1COC1 MC10517 [1,0,0,1,0,0|2,0,0]=4 518 B6R1.6 NCC1CSC1 MC121257 [1,0,0,1,0,0|2,0,0]=4 519 B6R1.6 NNC1CCC1 MC111229 [1,0,0,1,0,0|2,0,0]=4 520 B6R1.6 OCC1CCN1 CS15230 [1,0,0,1,0,0|2,0,0]=4 521 B6R1.6 OCC1CCN1 MC102029 [1,0,0,1,0,0|2,0,0]=4 522 B6R1.6 OCC1CCN1 MC102030 [1,0,0,1,0,0|2,0,0]=4 523 B6R1.6 OCC1CCO1 CS15009 [1,0,0,1,0,0|2,0,0]=4 524 B6R1.6 OCC1CNC1 CS12891 [1,0,0,1,0,0|2,0,0]=4 525 B6R1.6 OCC1CNC1 MC444028 [1,0,0,1,0,0|2,0,0]=4 526 B6R1.6 OCC1COC1 CS14670 [1,0,0,1,0,0|2,0,0]=4 527 B6R1.7 NC1(CF)CC1 MC107347 [1,0,0,1,0,0|2,0,0]=4 528 B6R1.7 NC1(CO)CC1 CS13349 [1,0,0,1,0,0|2,0,0]=4 529 B6R1.7 NC1(CO)CC1 MC113084 [1,0,0,1,0,0|2,0,0]=4 530 B6R1.7 NCC1(O)CC1 CS20441 [1,0,0,1,0,0|1,0,0]=3 531 B8R1.1 CN1CCC(CN)C1 MC104144 [0,1,0,1,0,0|2,0,0]=4 532 B8R1.1 CN1CCC(CN)C1 MC105308 [0,1,0,1,0,0|2,0,0]=4 533 B8R1.1 CN1CCC(CO)C1 MC102370 [0,1,0,1,0,0|1,0,0]=3 534 B8R1.1 CN1CCC(CO)C1 MC102371 [0,1,0,1,0,0|1,0,0]=3 535 B8R1.1 OCC1CC(O)CN1 CS20184 [0,1,0,1,0,0|1,0,0]=3 536 B8R1.4 CC1=CC(O)CCC1 MC111652 [0,1,0,1,0,0|0,0,1]=3 537 B8R1.4 CC1CC(=O)CCN1 MC101989 [0,1,0,1,0,0|0,0,2]=4 538 B8R1.4 CC1CC(=O)CCN1 MC103769 [0,1,0,1,0,0|0,0,2]=4 539 B8R1.4 CC1CC(=O)CCN1 MC444193 [0,1,0,1,0,0|0,0,2]=4 540 B8R1.4 CC1CC(=O)CCO1 MC103799 [0,1,0,1,0,0|0,0,2]=4 541 B8R1.4 CC1CC(=O)CCO1 MC103800 [0,1,0,1,0,0|0,0,2]=4 542 B8R1.4 CC1CC(=O)CCO1 MC31001 [0,1,0,1,0,0|0,0,2]=4 543 B8R1.4 CC1CC(O)CCN1 MC102122 [0,1,0,1,0,0|0,0,0]=2 544 B8R1.4 CC1CC(O)CCN1 MC102123 [0,1,0,1,0,0|0,0,0]=2 545 B8R1.4 CC1CC(O)CCN1 MC102289 [0,1,0,1,0,0|0,0,0]=2 546 B8R1.4 CC1CC(O)CCO1 MC31218 [0,1,0,1,0,0|0,0,0]=2 547 B8R1.4 CC1CCNC(C)C1 CS21125 [0,1,0,1,0,0|1,0,0]=3 548 B8R1.4 CC1CN(C)CCN1 MC102815 [0,1,0,1,0,0|2,0,0]=4 549 B8R1.4 CC1CNCC(C)C1 CS14191 [0,1,0,1,0,0|1,0,0]=3 550 B8R1.4 CC1CNCC(C)N1 CS18625 [0,1,0,1,0,0|2,0,0]=4 551 B8R1.4 CC1CNCC(C)N1 CS21187 [0,1,0,1,0,0|2,0,0]=4 552 B8R1.4 CC1CNCC(C)N1 MC103637 [0,1,0,1,0,0|2,0,0]=4 553 B8R1.4 CC1CNCC(C)N1 MC104476 [0,1,0,1,0,0|2,0,0]=4 554 B8R1.4 CC1CNCC(C)N1 MC444588 [0,1,0,1,0,0|2,0,0]=4 555 B8R1.4 CC1CNCC(C)O1 MC121304 [0,1,0,1,0,0|2,0,0]=4 556 B8R1.4 CC1CNCC(C)O1 MC428243 [0,1,0,1,0,0|2,0,0]=4 557 B8R1.4 CC1CNCC(C)O1 MC444593 [0,1,0,1,0,0|2,0,0]=4 558 B8R1.4 CC1COCC(C)N1 MC103641 [0,1,0,1,0,0|2,0,0]=4 559 B8R1.4 CC1COCC(C)N1 MC104538 [0,1,0,1,0,0|2,0,0]=4 560 B8R1.4 CC1COCC(C)N1 MC105667 [0,1,0,1,0,0|2,0,0]=4 561 B8R1.4 CC1COCC(C)N1 MC105668 [0,1,0,1,0,0|2,0,0]=4 562 B8R1.4 CC1COCC(C)N1 MC113396 [0,1,0,1,0,0|2,0,0]=4 563 B8R1.4 CN1CCCC(N)C1 MC102357 [0,1,0,1,0,0|1,0,0]=3 564 B8R1.4 CN1CCCC(N)C1 MC444039 [0,1,0,1,0,0|1,0,0]=3 565 B8R1.4 CN1CCCC(N)C1 MC444227 [0,1,0,1,0,0|1,0,0]=3 566 B8R1.4 CN1CCCC(O)C1 MC445500 [0,1,0,1,0,0|0,0,0]=2 567 B8R1.4 NC1CCCC(N)C1 CS17066 [0,1,0,1,0,0|1,0,0]=3 568 B8R1.4 NC1CCCC(O)C1 CS17342 [0,1,0,1,0,0|0,0,0]=2 569 B8R1.4 NC1CCCC(O)C1 CS18558 [0,1,0,1,0,0|0,0,0]=2 570 B8R1.4 NC1CCCC(O)C1 MC116000 [0,1,0,1,0,0|0,0,0]=2 571 B8R1.4 NC1CCCC(O)C1 MC116001 [0,1,0,1,0,0|0,0,0]=2 572 B8R1.18 CC1CC(S)C(C)O1 MC115503 [0,1,0,1,0,0|0,1,0]=3 573 B8R1.18 CN1CC(O)CC1=O MC111393 [0,1,0,1,0,0|1,0,1]=4 574 B8R1.51 CC1(O)CCC(N)C1 MC104923 [0,1,0,1,0,0|1,0,0]=3 575 B8R1.51 NC1CCC(F)(F)C1 MC102031 [0,1,0,1,0,0|2,0,0]=4 576 B8R1.51 NC1CCC(F)(F)C1 MC103658 [0,1,0,1,0,0|2,0,0]=4 577 B8R1.51 NC1CCC(F)(F)C1 MC103659 [0,1,0,1,0,0|2,0,0]=4 578 B8R1.51 NC1CCC(F)(F)C1 MC444204 [0,1,0,1,0,0|2,0,0]=4 579 B8R1.51 O=S1(=O)CCC(O)C1 MC107294 [0,1,0,1,0,0|2,0,0]=4 580 B8R1.53 CC1(C)CC(CBr)C1 MC104311 [0,1,0,1,0,0|2,0,0]=4 581 B8R1.53 CC1(C)CC(CBr)O1 MC115755 [0,1,0,1,0,0|1,0,0]=3 582 B8R1.53 CC1(C)CC(CI)O1 MC102911 [0,1,0,1,0,0|1,0,0]=3 583 B8R1.53 CC1(C)CC(CN)C1 MC104310 [0,1,0,1,0,0|2,0,0]=4 584 B8R1.53 CC1(C)CC(CN)O1 MC115768 [0,1,0,1,0,0|1,0,0]=3 585 B8R1.53 CC1(C)CC(CO)O1 MC115663 [0,1,0,1,0,0|1,0,0]=3 586 B8R1.53 CC1(O)CC(CN)C1 MC103743 [0,1,0,1,0,0|2,0,0]=4 587 B8R1.53 CC1(O)CC(CN)C1 MC104882 [0,1,0,1,0,0|2,0,0]=4 588 B8R1.62 NC1(CO)CC(F)C1 MC104684 [0,1,0,1,0,0|2,0,0]=4 589 B8R1.2 BrCC1CCCCC1 CS19887 [0,1,0,1,0,0|1,0,0]=3 590 B8R1.2 BrCC1CCCOC1 MC102393 [0,1,0,1,0,0|1,0,0]=3 591 B8R1.2 Br[Zn]C1CCCCC1 MC121343 [0,1,0,1,0,0|1,0,0]=3 592 B8R1.2 Br[Zn]C1CCOCC1 MC116068 [0,1,0,1,0,0|2,0,0]=4 593 B8R1.2 C#CC1CCCOC1 MC104582 [0,1,0,1,0,0|0,0,2]=4 594 B8R1.2 C#CC1CCSCC1 MC104148 [0,1,0,1,0,0|2,0,0]=4 595 B8R1.2 CCC1CNCCN1 MC31046 [0,1,0,1,0,0|1,0,0]=3 596 B8R1.2 CCC1CNCCN1 MC31080 [0,1,0,1,0,0|1,0,0]=3 597 B8R1.2 CCC1CNCCO1 MC444035 [0,1,0,1,0,0|0,0,0]=2 598 B8R1.2 CCC1CNCCO1 MC444058 [0,1,0,1,0,0|0,0,0]=2 599 B8R1.2 CCC1CNCCO1 MC444187 [0,1,0,1,0,0|0,0,0]=2 600 B8R1.2 CCC1COCCN1 MC20812 [0,1,0,1,0,0|1,0,0]=3 601 B8R1.2 CCC1COCCN1 MC444040 [0,1,0,1,0,0|1,0,0]=3 602 B8R1.2 CCC1COCCN1 MC444061 [0,1,0,1,0,0|1,0,0]=3 603 B8R1.2 CCC1COCCN1 MC444269 [0,1,0,1,0,0|1,0,0]=3 604 B8R1.2 CCN1CCNCC1 CS20680 [0,1,0,1,0,0|2,0,0]=4 605 B8R1.2 CNC1CCCNC1 CS22823 [0,1,0,1,0,0|2,0,0]=4 606 B8R1.2 CNC1CCOCC1 CS15192 [0,1,0,1,0,0|2,0,0]=4 607 B8R1.2 COC1CCCNC1 MC31194 [0,1,0,1,0,0|1,0,0]=3 608 B8R1.2 COC1CCCNC1 MC444290 [0,1,0,1,0,0|1,0,0]=3 609 B8R1.2 COC1CCNCC1 MC444354 [0,1,0,1,0,0|1,0,0]=3 610 B8R1.2 CON1CCNCC1 MC106159 [0,1,0,1,0,0|2,0,0]=4 611 B8R1.2 CSC1CCNCC1 MC444359 [0,1,0,1,0,0|1,1,0]=4 612 B8R1.2 ClCC1CNCCO1 MC106711 [0,1,0,1,0,0|1,0,0]=3 613 B8R1.2 Cl[Mg]C1CCOCC1 MC121322 [0,1,0,1,0,0|2,0,0]=4 614 B8R1.2 ICC1CCOCC1 MC31010 [0,1,0,1,0,0|2,0,0]=4 615 B8R1.2 N#CC1CCCCN1 MC105353 [0,1,0,1,0,0|2,0,0]=4 616 B8R1.2 N#CC1CCCCN1 MC444185 [0,1,0,1,0,0|2,0,0]=4 617 B8R1.2 N#CC1CCCNC1 MC105598 [0,1,0,1,0,0|2,0,0]=4 618 B8R1.2 N#CC1CCCNC1 MC444266 [0,1,0,1,0,0|2,0,0]=4 619 B8R1.2 N#CC1CCOCC1 CS12562 [0,1,0,1,0,0|2,0,0]=4 620 B8R1.2 N#CC1CNCCO1 MC442480 [0,1,0,1,0,0|1,0,1]=4 621 B8R1.2 NCC1CCCCC1 MC20908 [0,1,0,1,0,0|1,0,0]=3 622 B8R1.2 NCC1CCCCN1 CS22822 [0,1,0,1,0,0|2,0,0]=4 623 B8R1.2 NCC1CCCOC1 CS18439 [0,1,0,1,0,0|1,0,0]=3 624 B8R1.2 NCC1CCCOC1 MC105501 [0,1,0,1,0,0|1,0,0]=3 625 B8R1.2 NCC1CCCOC1 MC105502 [0,1,0,1,0,0|1,0,0]=3 626 B8R1.2 NCC1CCOCC1 CS18584 [0,1,0,1,0,0|2,0,0]=4 627 B8R1.2 NCC1CCSCC1 MC102976 [0,1,0,1,0,0|2,0,0]=4 628 B8R1.2 NCC1CCSCC1 MC111187 [0,1,0,1,0,0|2,0,0]=4 629 B8R1.2 NCC1COCCO1 MC444012 [0,1,0,1,0,0|1,0,0]=3 630 B8R1.2 NCC1COCCO1 MC444016 [0,1,0,1,0,0|1,0,0]=3 631 B8R1.2 NNC1CCCCC1 MC442574 [0,1,0,1,0,0|1,0,0]=3 632 B8R1.2 NNC1CCCCC1 MC442575 [0,1,0,1,0,0|1,0,0]=3 633 B8R1.2 NNC1CCOCC1 CS13041 [0,1,0,1,0,0|2,0,0]=4 634 B8R1.2 NNC1CCOCC1 CS20368 [0,1,0,1,0,0|2,0,0]=4 635 B8R1.2 NOC1CCCCO1 CS17026 [0,1,0,1,0,0|1,0,0]=3 636 B8R1.2 O=CC1CCCCC1 MC20143 [0,1,0,1,0,0|0,0,1]=3 637 B8R1.2 O=CC1CCCOC1 MC442323 [0,1,0,1,0,0|1,0,1]=4 638 B8R1.2 O=CC1CCOCC1 MC445812 [0,1,0,1,0,0|1,0,1]=4 639 B8R1.2 OCC1CCC=CO1 MC20505 [0,1,0,1,0,0|1,0,1]=4 640 B8R1.2 OCC1CCCCC1 MC20144 [0,1,0,1,0,0|0,0,0]=2 641 B8R1.2 OCC1CCCCN1 CS21780 [0,1,0,1,0,0|1,0,0]=3 642 B8R1.2 OCC1CCCNC1 CS15958 [0,1,0,1,0,0|1,0,0]=3 643 B8R1.2 OCC1CCCNC1 CS22817 [0,1,0,1,0,0|1,0,0]=3 644 B8R1.2 OCC1CCCOC1 MC31058 [0,1,0,1,0,0|1,0,0]=3 645 B8R1.2 OCC1CCNCC1 CS22819 [0,1,0,1,0,0|1,0,0]=3 646 B8R1.2 OCC1CCOCC1 CS18741 [0,1,0,1,0,0|1,0,0]=3 647 B8R1.2 OCC1CNCCO1 CS14518 [0,1,0,1,0,0|1,0,0]=3 648 B8R1.2 OCC1CNCCO1 CS15145 [0,1,0,1,0,0|1,0,0]=3 649 B8R1.2 OCC1CNCCO1 CS15312 [0,1,0,1,0,0|1,0,0]=3 650 B8R1.2 OCC1COCCN1 CS15269 [0,1,0,1,0,0|2,0,0]=4 651 B8R1.2 OCC1COCCN1 CS15280 [0,1,0,1,0,0|2,0,0]=4 652 B8R1.2 OCC1COCCN1 MC106628 [0,1,0,1,0,0|2,0,0]=4 653 B8R1.2 OCC1COCCN1 MC115923 [0,1,0,1,0,0|2,0,0]=4 654 B8R1.2 OCC1COCCN1 MC444278 [0,1,0,1,0,0|2,0,0]=4 655 B8R1.2 OCC1COCCO1 MC107175 [0,1,0,1,0,0|1,0,0]=3 656 B8R1.2 OCC1COCCO1 MC107176 [0,1,0,1,0,0|1,0,0]=3 657 B8R1.3 C=C1CCC(C)CC1 MC105701 [0,1,0,1,0,0|1,0,1]=4 658 B8R1.3 CC1CNC(C)CN1 CS14078 [0,1,0,1,0,0|2,0,0]=4 659 B8R1.3 CC1CNC(C)CN1 MC103638 [0,1,0,1,0,0|2,0,0]=4 660 B8R1.3 CC1COC(C)CN1 MC107001 [0,1,0,1,0,0|2,0,0]=4 661 B8R1.3 CC1COC(C)CN1 MC107002 [0,1,0,1,0,0|2,0,0]=4 662 B8R1.3 CN1CCC(=O)CC1 CS18410 [0,1,0,1,0,0|0,0,2]=4 663 B8R1.3 CN1CCC(Cl)CC1 CS18485 [0,1,0,1,0,0|1,0,0]=3 664 B8R1.3 CN1CCC(N)CC1 CS18628 [0,1,0,1,0,0|1,0,0]=3 665 B8R1.3 CN1CCC(O)CC1 CS13491 [0,1,0,1,0,0|0,0,0]=2 666 B8R1.3 NC1CCC(=O)CC1 CS22583 [0,1,0,1,0,0|0,0,2]=4 667 B8R1.3 NC1CCC(N)CC1 CS18629 [0,1,0,1,0,0|1,0,0]=3 668 B8R1.3 NC1CCC(N)CC1 MC20732 [0,1,0,1,0,0|1,0,0]=3 669 B8R1.3 NC1CCC(O)CC1 CS12038 [0,1,0,1,0,0|0,0,0]=2 670 B8R1.3 NC1CCC(O)CC1 CS15381 [0,1,0,1,0,0|0,0,0]=2 671 B8R1.3 NC1CCC(O)CC1 CS18581 [0,1,0,1,0,0|0,0,0]=2 672 B8R1.3 NC1CCC(O)CC1 CS18592 [0,1,0,1,0,0|0,0,0]=2 673 B8R1.3 O=C1CCC(O)CC1 CS22889 [0,1,0,1,0,0|0,0,1]=3 674 B8R1.3 OC1CCC(O)CC1 CS20531 [0,1,0,1,0,0|0,0,0]=2 675 B8R1.3 OC1CCC(O)CC1 MC103601 [0,1,0,1,0,0|0,0,0]=2 676 B8R1.3 OC1COC(O)CO1 MC440451 [0,1,0,1,0,0|2,0,0]=4 677 B8R1.3 OC1CSC(O)CS1 MC41677 [0,1,0,1,0,0|2,0,0]=4 678 B8R1.5 BrC1CCCCC1Br CS20488 [0,1,0,1,0,0|1,0,0]=3 679 B8R1.5 CC1CCNCC1=O MC105562 [0,1,0,1,0,0|0,0,2]=4 680 B8R1.5 CC1CCNCC1O MC103744 [0,1,0,1,0,0|0,0,0]=2 681 B8R1.5 CC1CCNCC1O MC103745 [0,1,0,1,0,0|0,0,0]=2 682 B8R1.5 CC1CCNCC1O MC105563 [0,1,0,1,0,0|0,0,0]=2 683 B8R1.5 CC1CCNCC1O MC105564 [0,1,0,1,0,0|0,0,0]=2 684 B8R1.5 CC1CCNCC1O MC444275 [0,1,0,1,0,0|0,0,0]=2 685 B8R1.5 CC1CNCCC1=O MC106748 [0,1,0,1,0,0|0,0,2]=4 686 B8R1.5 CC1CNCCN1C MC444011 [0,1,0,1,0,0|2,0,0]=4 687 B8R1.5 CC1CNCCN1C MC444015 [0,1,0,1,0,0|2,0,0]=4 688 B8R1.5 CC1COCCC1=O MC425868 [0,1,0,1,0,0|0,0,2]=4 689 B8R1.5 CC1COCCC1N MC100869 [0,1,0,1,0,0|1,0,0]=3 690 B8R1.5 CC1COCCC1N MC104730 [0,1,0,1,0,0|1,0,0]=3 691 B8R1.5 FC1CCNCC1F MC105603 [0,1,0,1,0,0|2,0,0]=4 692 B8R1.5 FC1CCNCC1F MC105604 [0,1,0,1,0,0|2,0,0]=4 693 B8R1.5 NC1CCCCC1N CS11826 [0,1,0,1,0,0|1,0,0]=3 694 B8R1.5 NC1CCCCC1N CS22821 [0,1,0,1,0,0|1,0,0]=3 695 B8R1.5 NC1CCCCC1O CS12403 [0,1,0,1,0,0|0,0,0]=2 696 B8R1.5 NC1CCCCC1O CS12547 [0,1,0,1,0,0|0,0,0]=2 697 B8R1.5 NC1CCCCC1O CS12548 [0,1,0,1,0,0|0,0,0]=2 698 B8R1.5 NC1CCCCC1O CS14928 [0,1,0,1,0,0|0,0,0]=2 699 B8R1.5 NC1CCCCC1O CS18590 [0,1,0,1,0,0|0,0,0]=2 700 B8R1.5 NC1CCCCC1O MC20710 [0,1,0,1,0,0|0,0,0]=2 701 B8R1.5 NC1CCCCC1O MC20824 [0,1,0,1,0,0|0,0,0]=2 702 B8R1.5 NC1CCOCC1O MC102103 [0,1,0,1,0,0|1,0,0]=3 703 B8R1.5 NC1CCOCC1O MC102104 [0,1,0,1,0,0|1,0,0]=3 704 B8R1.5 NC1CCOCC1O MC102509 [0,1,0,1,0,0|1,0,0]=3 705 B8R1.5 NC1COCCC1O MC427129 [0,1,0,1,0,0|1,0,0]=3 706 B8R1.5 O=C1NCCCC1O CS19689 [0,1,0,1,0,0|1,0,1]=4 707 B8R1.5 O=C1OCCCC1O CS16147 [0,1,0,1,0,0|1,0,1]=4 708 B8R1.5 OC1CCCCC1F MC107093 [0,1,0,1,0,0|0,0,0]=2 709 B8R1.5 OC1CCCCC1O CS12029 [0,1,0,1,0,0|0,0,0]=2 710 B8R1.5 OC1CCNCC1F MC101962 [0,1,0,1,0,0|1,0,0]=3 711 B8R1.5 OC1CCNCC1F MC103718 [0,1,0,1,0,0|1,0,0]=3 712 B8R1.5 OC1CCNCC1O MC101991 [0,1,0,1,0,0|1,0,0]=3 713 B8R1.5 OC1CCNCC1O MC111756 [0,1,0,1,0,0|1,0,0]=3 714 B8R1.5 OC1CCNCC1O MC116420 [0,1,0,1,0,0|1,0,0]=3 715 B8R1.5 OC1CNCCC1F MC101961 [0,1,0,1,0,0|1,0,0]=3 716 B8R1.10 OCCOC1CCC1 MC121362 [0,1,0,1,0,0|2,0,0]=4 717 B8R1.22 CC1CCNCCN1 MC104490 [0,1,0,1,0,0|2,0,0]=4 718 B8R1.22 FC1CCCNCC1 MC103919 [0,1,0,1,0,0|1,0,0]=3 719 B8R1.22 NC1CCCCNC1 CS18624 [0,1,0,1,0,0|1,0,0]=3 720 B8R1.22 NC1CCCCNC1 MC104803 [0,1,0,1,0,0|1,0,0]=3 721 B8R1.22 NC1CCCCNC1 MC425605 [0,1,0,1,0,0|1,0,0]=3 722 B8R1.22 O=C1CCCNCC1 CS19096 [0,1,0,1,0,0|0,0,2]=4 723 B8R1.22 O=S1CCCNCC1 MC100495 [0,1,0,1,0,0|1,0,1]=4 724 B8R1.52 C#CC1(O)CCOC1 MC104955 [0,1,0,1,0,0|0,0,2]=4 725 B8R1.52 CC1(CBr)CCOC1 MC104228 [0,1,0,1,0,0|2,0,0]=4 726 B8R1.52 CC1(CN)CCNC1 MC100100 [0,1,0,1,0,0|2,0,0]=4 727 B8R1.52 CC1(CN)CCOC1 MC103499 [0,1,0,1,0,0|2,0,0]=4 728 B8R1.52 CC1(CO)CCOC1 MC104227 [0,1,0,1,0,0|2,0,0]=4 729 B8R1.52 NC1(CO)CCOC1 MC103469 [0,1,0,1,0,0|2,0,0]=4 730 B8R1.52 NCC1(O)CCCC1 CS15390 [0,1,0,1,0,0|1,0,0]=3 731 B8R1.52 NCC1(O)CCCC1 MC31148 [0,1,0,1,0,0|1,0,0]=3 732 B8R1.52 OC1(CF)CCNC1 MC101973 [0,1,0,1,0,0|1,0,0]=3 733 B8R1.52 OCC1(F)CCCC1 MC443810 [0,1,0,1,0,0|2,0,0]=4 734 B8R1.52 OCC1(O)CCNC1 MC104779 [0,1,0,1,0,0|1,0,0]=3 735 B8R1.7 CC(=O)C1CCCC1 CS20673 [0,1,0,1,0,0|1,0,1]=4 736 B8R1.7 CC(=O)C1CCCC1 MC445790 [0,1,0,1,0,0|1,0,1]=4 737 B8R1.7 O=C(O)C1CCCO1 CS16192 [0,1,0,1,0,0|1,0,1]=4 738 B8R1.7 O=C(O)C1CCCO1 CS18232 [0,1,0,1,0,0|1,0,1]=4 739 B8R1.7 O=C(O)C1CCCO1 MC20393 [0,1,0,1,0,0|1,0,1]=4 740 B8R1.19 NC1CCCC1(F)F MC107609 [0,1,0,1,0,0|2,0,0]=4 741 B8R1.37 COCC(N)C1CC1 MC425319 [0,1,0,1,0,0|1,0,0]=3 742 B8R1.6 CCOC1CC(N)C1 MC105049 [0,1,0,1,0,0|2,0,0]=4 743 B8R1.6 CCOC1CC(N)C1 MC105050 [0,1,0,1,0,0|2,0,0]=4 744 B8R1.6 CCOC1CC(N)C1 MC105051 [0,1,0,1,0,0|2,0,0]=4 745 B8R1.8 BrCCC1OCCO1 CS18251 [0,1,0,1,0,0|1,0,0]=3 746 B8R1.8 Br[Zn]CC1OCCO1 MC121331 [0,1,0,1,0,0|2,0,0]=4 747 B8R1.8 COCC1CCCN1 CS20310 [0,1,0,1,0,0|1,0,0]=3 748 B8R1.8 COCC1CCNC1 MC104848 [0,1,0,1,0,0|2,0,0]=4 749 B8R1.8 COCC1CCNC1 MC105535 [0,1,0,1,0,0|2,0,0]=4 750 B8R1.8 ClCCN1CCCC1 CS15769 [0,1,0,1,0,0|2,0,0]=4 751 B8R1.8 ICCC1CCCC1 MC106254 [0,1,0,1,0,0|1,0,0]=3 752 B8R1.8 NCCC1CCCC1 CS15909 [0,1,0,1,0,0|1,0,0]=3 753 B8R1.8 OCCC1CCCN1 MC103847 [0,1,0,1,0,0|1,0,0]=3 754 B8R1.8 OCCC1CCCN1 MC106622 [0,1,0,1,0,0|1,0,0]=3 755 B8R1.11 CN1CCCC1CN MC444032 [0,1,0,1,0,0|2,0,0]=4 756 B8R1.11 CN1CCCC1CN MC444049 [0,1,0,1,0,0|2,0,0]=4 757 B8R1.11 CN1CCCC1CO CS14186 [0,1,0,1,0,0|1,0,0]=3 758 B8R1.11 CN1CCCC1CO CS22816 [0,1,0,1,0,0|1,0,0]=3 759 B8R1.11 COC1CNCC1F MC102136 [0,1,0,1,0,0|2,0,0]=4 760 B8R1.11 N#CC1CCCC1N MC104396 [0,1,0,1,0,0|1,0,1]=4 761 B8R1.66 C#CCC1(O)COC1 MC100067 [0,1,0,1,0,0|0,0,2]=4 762 B8R1.66 CNCC1(C)COC1 MC121100 [0,1,0,1,0,0|2,0,0]=4 763 B8R1.66 CNCC1(F)COC1 MC102473 [0,1,0,1,0,0|2,0,0]=4 764 B8R1.66 COCC1(F)CNC1 MC105574 [0,1,0,1,0,0|2,0,0]=4 765 B8R1.66 NC1(CCO)COC1 MC105159 [0,1,0,1,0,0|2,0,0]=4 766 B8R1.66 OCCC1(F)COC1 MC102472 [0,1,0,1,0,0|2,0,0]=4 767 B8R1.48 OCC1CCC1(F)F MC103620 [0,1,0,1,0,0|2,0,0]=4 768 B8R1.72 CC1(C)CCNCC1 CS13819 [0,1,0,1,0,0|2,0,0]=4 769 B8R1.72 CC1(N)CCOCC1 CS14346 [0,1,0,1,0,0|2,0,0]=4 770 B8R1.72 CC1(N)CCOCC1 MC106879 [0,1,0,1,0,0|2,0,0]=4 771 B8R1.72 CC1(O)CCCNC1 MC444294 [0,1,0,1,0,0|1,0,0]=3 772 B8R1.72 CC1(O)CCNCC1 MC443374 [0,1,0,1,0,0|1,0,0]=3 773 B8R1.72 CC1(O)CCOCC1 CS12641 [0,1,0,1,0,0|1,0,0]=3 774 B8R1.72 FC1(F)CCCNC1 CS21902 [0,1,0,1,0,0|2,0,0]=4 775 B8R1.72 FC1(F)CCNCC1 CS18259 [0,1,0,1,0,0|2,0,0]=4 776 B8R1.72 OC1(O)CCNCC1 CS10106 [0,1,0,1,0,0|1,0,0]=3 777 B8R1.60 C#CC1(CC)COC1 MC115769 [0,1,0,1,0,0|2,0,0]=4 778 B8R1.60 CCC1(CO)COC1 MC440257 [0,1,0,1,0,0|1,0,0]=3 779 B8R1.60 CNC1(CO)COC1 MC102481 [0,1,0,1,0,0|2,0,0]=4 780 B8R1.60 COC1(CN)CNC1 MC105617 [0,1,0,1,0,0|2,0,0]=4 781 B8R1.60 ICC1(CI)CCC1 MC113191 [0,1,0,1,0,0|2,0,0]=4 782 B8R1.60 NCC1(CO)COC1 CS22100 [0,1,0,1,0,0|2,0,0]=4 783 B8R1.60 OCC1(CBr)COC1 CS22180 [0,1,0,1,0,0|2,0,0]=4 784 B8R1.60 OCC1(CCl)COC1 MC121236 [0,1,0,1,0,0|2,0,0]=4 785 B8R1.60 OCC1(CO)CCC1 MC121123 [0,1,0,1,0,0|1,0,0]=3 786 B8R1.60 OCC1(CO)COC1 MC31109 [0,1,0,1,0,0|2,0,0]=4 787 B8R1.64 OCC1(CO)CC1F MC102957 [0,1,0,1,0,0|2,0,0]=4 788 B8R2.11 C12CNCC1C2O MC102023 [0,0,0,2,0,0|1,0,0]=3 789 B8R2.22 C1CC2CNCC12 MC103502 [0,0,0,2,0,0|2,0,0]=4 790 B8R2.22 C1CC2CNCC12 MC105043 [0,0,0,2,0,0|2,0,0]=4 791 B8R2.34 C1=CC2CCC1C2 CS11805 [0,0,0,2,0,0|1,0,1]=4 792 B8R2.34 C1CC2CCC1N2 CS10780 [0,0,0,2,0,0|1,0,0]=3 793 B8R2.34 C1CC2CCC1N2 MC113036 [0,0,0,2,0,0|1,0,0]=3 794 B8R2.34 C1OC2CNC1C2 CS12565 [0,0,0,2,0,0|1,0,0]=3 795 B8R2.34 C1OC2CNC1C2 MC102221 [0,0,0,2,0,0|1,0,0]=3 796 B8R2.34 C1OC2CNC1C2 MC103903 [0,0,0,2,0,0|1,0,0]=3 797 B8R2.34 C1OC2CNC1C2 MC105588 [0,0,0,2,0,0|1,0,0]=3 798 B8R2.34 C1OC2CNC1C2 MC31167 [0,0,0,2,0,0|1,0,0]=3 799 B8R2.34 C1OC2CNC1C2 MC444007 [0,0,0,2,0,0|1,0,0]=3 800 B8R2.55 C1CC2(CC2)CN1 MC103447 [0,0,0,2,0,0|2,0,0]=4 801 B8R2.55 C1CNC2(C1)CC2 MC103449 [0,0,0,2,0,0|1,0,0]=3 802 B8R2.18 NC1CC2CC2C1 MC103540 [0,0,0,2,0,0|1,0,0]=3 803 B8R2.23 C1NCC2CC1C2 MC115688 [0,0,0,2,0,0|2,0,0]=4 804 B8R2.23 C1NCC2CC1O2 MC102903 [0,0,0,2,0,0|1,0,0]=3 805 B8R2.23 C1OCC2CC1N2 MC116488 [0,0,0,2,0,0|2,0,0]=4 806 B8R2.25 C1CC2CC2CN1 MC105241 [0,0,0,2,0,0|2,0,0]=4 807 B8R2.25 C1CC2OC2CO1 MC427300 [0,0,0,2,0,0|1,0,0]=3 808 B8R2.25 C1CCC2OC2C1 MC41785 [0,0,0,2,0,0|0,0,0]=2 809 B8R2.42 C1CC2(C1)CCN2 MC102079 [0,0,0,2,0,0|1,0,0]=3 810 B8R2.42 C1CC2(C1)CNC2 MC444165 [0,0,0,2,0,0|2,0,0]=4 811 B8R2.42 C1CC2(CNC2)O1 MC102072 [0,0,0,2,0,0|1,0,0]=3 812 B8R2.42 C1CC2(CNC2)O1 MC102331 [0,0,0,2,0,0|1,0,0]=3 813 B8R2.42 C1CC2(COC2)N1 MC102341 [0,0,0,2,0,0|2,0,0]=4 814 B8R2.42 C1CC2(COC2)N1 MC115573 [0,0,0,2,0,0|2,0,0]=4