0 B6R1.2 BrC1CCNC1 CS15742 [0,0,0,0,0,0|2,0,0]=2 1 B6R1.2 BrC1CCOC1 CS14643 [0,0,0,0,0,0|2,0,0]=2 2 B6R1.2 CC1=NCCC1 CS21664 [0,0,0,0,0,0|2,0,1]=3 3 B6R1.2 CC1CCCN1 CS18299 [0,0,0,0,0,0|2,0,0]=2 4 B6R1.2 CC1CCCN1 CS18800 [0,0,0,0,0,0|2,0,0]=2 5 B6R1.2 CC1CCCN1 CS19735 [0,0,0,0,0,0|2,0,0]=2 6 B6R1.2 CC1CCCN1 CS21699 [0,0,0,0,0,0|2,0,0]=2 7 B6R1.2 CC1CCCN1 CS21700 [0,0,0,0,0,0|2,0,0]=2 8 B6R1.2 CC1CCCN1 MC428345 [0,0,0,0,0,0|2,0,0]=2 9 B6R1.2 CC1CCCO1 MC20580 [0,0,0,0,0,0|2,0,0]=2 10 B6R1.2 FC1CCNC1 CS12894 [0,0,0,0,0,0|2,0,0]=2 11 B6R1.2 FC1CCNC1 CS14870 [0,0,0,0,0,0|2,0,0]=2 12 B6R1.2 FC1CCNC1 MC31003 [0,0,0,0,0,0|2,0,0]=2 13 B6R1.2 IC1CCOC1 MC101926 [0,0,0,0,0,0|2,0,0]=2 14 B6R1.2 NC1=NCCC1 CS19310 [0,0,0,0,0,0|2,0,1]=3 15 B6R1.2 NC1CC=CC1 CS19415 [0,0,0,0,0,0|1,0,2]=3 16 B6R1.2 NC1CCOC1 CS12010 [0,0,0,0,0,0|2,0,0]=2 17 B6R1.2 NC1CCOC1 CS13003 [0,0,0,0,0,0|2,0,0]=2 18 B6R1.2 NC1CCOC1 CS20366 [0,0,0,0,0,0|2,0,0]=2 19 B6R1.2 NC1CCOC1 MC443324 [0,0,0,0,0,0|2,0,0]=2 20 B6R1.2 NC1CCOC1 MC444237 [0,0,0,0,0,0|2,0,0]=2 21 B6R1.2 O=C1CCCC1 MC21085 [0,0,0,0,0,0|0,1,1]=2 22 B6R1.2 O=C1CCNC1 CS22412 [0,0,0,0,0,0|1,1,1]=3 23 B6R1.2 O=C1CCOC1 CS18178 [0,0,0,0,0,0|1,1,1]=3 24 B6R1.2 O=C1CCSC1 MC20305 [0,0,0,0,0,0|1,1,1]=3 25 B6R1.2 O=C1CNCN1 CS15654 [0,0,0,0,0,0|2,1,1]=4 26 B6R1.2 O=C1NCCN1 CS21607 [0,0,0,0,0,0|2,1,1]=4 27 B6R1.2 O=C1NCCS1 CS20525 [0,0,0,0,0,0|2,1,1]=4 28 B6R1.2 O=C1OCCO1 CS20012 [0,0,0,0,0,0|2,1,1]=4 29 B6R1.2 OC1CC=CC1 MC10342 [0,0,0,0,0,0|0,1,2]=3 30 B6R1.2 OC1CCNC1 CS16166 [0,0,0,0,0,0|1,1,0]=2 31 B6R1.2 OC1CCNC1 CS16635 [0,0,0,0,0,0|1,1,0]=2 32 B6R1.2 OC1CCNC1 CS16650 [0,0,0,0,0,0|1,1,0]=2 33 B6R1.2 OC1CCNC1 CS17407 [0,0,0,0,0,0|1,1,0]=2 34 B6R1.2 OC1CCNC1 CS21757 [0,0,0,0,0,0|1,1,0]=2 35 B6R1.2 OC1CCOC1 CS20284 [0,0,0,0,0,0|1,1,0]=2 36 B6R1.2 OC1CCOC1 MC42235 [0,0,0,0,0,0|1,1,0]=2 37 B6R1.2 OC1CCOC1 MC444279 [0,0,0,0,0,0|1,1,0]=2 38 B5R1.1 C1=CCNC1 MC10278 [1,0,0,0,0,0|1,0,2]=4 39 B5R1.1 C1CCNC1 MC41708 [1,0,0,0,0,0|1,0,0]=2 40 B5R1.1 C1CNNC1 CS16750 [1,0,0,0,0,0|2,0,0]=3 41 B7R1.1 BrCC1CCCC1 MC20145 [0,1,0,0,0,0|1,0,0]=2 42 B7R1.1 BrCC1CCCN1 MC114648 [0,1,0,0,0,0|2,0,0]=3 43 B7R1.1 BrCC1CCCO1 MC106365 [0,1,0,0,0,0|2,0,0]=3 44 B7R1.1 BrCC1OCCO1 CS21401 [0,1,0,0,0,0|3,0,0]=4 45 B7R1.1 Br[Zn]C1CCCC1 MC121342 [0,1,0,0,0,0|1,0,0]=2 46 B7R1.1 C#CC1CCOC1 MC103679 [0,1,0,0,0,0|2,0,0]=3 47 B7R1.1 CCC1CCCN1 MC110951 [0,1,0,0,0,0|2,0,0]=3 48 B7R1.1 CNC1CCOC1 MC104966 [0,1,0,0,0,0|2,0,0]=3 49 B7R1.1 CNC1CCOC1 MC105597 [0,1,0,0,0,0|2,0,0]=3 50 B7R1.1 COC1=NCCC1 CS10423 [0,1,0,0,0,0|1,1,1]=4 51 B7R1.1 COC1CCCN1 MC41692 [0,1,0,0,0,0|1,1,0]=3 52 B7R1.1 COC1CCNC1 CS12136 [0,1,0,0,0,0|1,1,0]=3 53 B7R1.1 COC1CCNC1 CS12137 [0,1,0,0,0,0|1,1,0]=3 54 B7R1.1 COC1CCNC1 CS22350 [0,1,0,0,0,0|1,1,0]=3 55 B7R1.1 ClCC1OCCO1 MC428002 [0,1,0,0,0,0|3,0,0]=4 56 B7R1.1 FCC1CCCN1 MC100102 [0,1,0,0,0,0|2,0,0]=3 57 B7R1.1 FCC1CCNC1 MC103199 [0,1,0,0,0,0|2,0,0]=3 58 B7R1.1 N#CC1CCCC1 MC433761 [0,1,0,0,0,0|1,0,0]=2 59 B7R1.1 N#CC1CCCN1 MC104069 [0,1,0,0,0,0|2,0,0]=3 60 B7R1.1 N#CC1CCOC1 MC103877 [0,1,0,0,0,0|2,0,0]=3 61 B7R1.1 N#CC1CCOC1 MC103878 [0,1,0,0,0,0|2,0,0]=3 62 B7R1.1 NCC1CCCC1 CS14873 [0,1,0,0,0,0|1,0,0]=2 63 B7R1.1 NCC1CCCN1 CS15469 [0,1,0,0,0,0|2,0,0]=3 64 B7R1.1 NCC1CCCN1 CS15745 [0,1,0,0,0,0|2,0,0]=3 65 B7R1.1 NCC1CCNC1 MC431426 [0,1,0,0,0,0|2,0,0]=3 66 B7R1.1 NCC1CCOC1 MC102307 [0,1,0,0,0,0|2,0,0]=3 67 B7R1.1 NCC1CCOC1 MC103862 [0,1,0,0,0,0|2,0,0]=3 68 B7R1.1 NCC1CCOC1 MC115675 [0,1,0,0,0,0|2,0,0]=3 69 B7R1.1 NCC1CCOC1 MC121256 [0,1,0,0,0,0|2,0,0]=3 70 B7R1.1 O=CC1=CCCC1 CS12865 [0,1,0,0,0,0|0,1,2]=4 71 B7R1.1 O=CC1CCCC1 MC21048 [0,1,0,0,0,0|0,1,0]=2 72 B7R1.1 OCC1CC=CC1 CS20734 [0,1,0,0,0,0|0,1,2]=4 73 B7R1.1 OCC1CCCC1 CS11185 [0,1,0,0,0,0|0,1,0]=2 74 B7R1.1 OCC1CCCN1 CS17003 [0,1,0,0,0,0|1,1,0]=3 75 B7R1.1 OCC1CCCN1 CS22640 [0,1,0,0,0,0|1,1,0]=3 76 B7R1.1 OCC1CCCO1 MC20392 [0,1,0,0,0,0|1,1,0]=3 77 B7R1.1 OCC1CCNC1 CS11284 [0,1,0,0,0,0|1,1,0]=3 78 B7R1.1 OCC1CCNC1 CS16764 [0,1,0,0,0,0|1,1,0]=3 79 B7R1.1 OCC1CCNC1 CS18341 [0,1,0,0,0,0|1,1,0]=3 80 B7R1.1 OCC1CCNC1 MC102405 [0,1,0,0,0,0|1,1,0]=3 81 B7R1.1 OCC1CCNC1 MC115660 [0,1,0,0,0,0|1,1,0]=3 82 B7R1.1 OCC1CCOC1 MC113000 [0,1,0,0,0,0|1,1,0]=3 83 B7R1.1 OCC1CCOC1 MC113001 [0,1,0,0,0,0|1,1,0]=3 84 B7R1.1 OCC1CCOC1 MC427704 [0,1,0,0,0,0|1,1,0]=3 85 B7R1.2 BrC1C=CC(Br)C1 MC110604 [0,1,0,0,0,0|1,0,2]=4 86 B7R1.2 CC1CCC(C)N1 MC102818 [0,1,0,0,0,0|2,0,0]=3 87 B7R1.2 CN1CCC(=O)C1 CS20760 [0,1,0,0,0,0|1,1,1]=4 88 B7R1.2 CN1CCC(N)C1 MC444033 [0,1,0,0,0,0|2,0,0]=3 89 B7R1.2 CN1CCC(N)C1 MC444055 [0,1,0,0,0,0|2,0,0]=3 90 B7R1.2 CN1CCC(N)C1 MC444130 [0,1,0,0,0,0|2,0,0]=3 91 B7R1.2 CN1CCC(O)C1 MC20690 [0,1,0,0,0,0|1,1,0]=3 92 B7R1.2 CN1CCC(O)C1 MC444062 [0,1,0,0,0,0|1,1,0]=3 93 B7R1.2 CN1CCC(O)C1 MC444273 [0,1,0,0,0,0|1,1,0]=3 94 B7R1.2 NC1CCC(O)C1 CS12946 [0,1,0,0,0,0|0,1,0]=2 95 B7R1.2 NC1CCC(O)C1 CS14798 [0,1,0,0,0,0|0,1,0]=2 96 B7R1.2 NC1CCC(O)C1 CS15869 [0,1,0,0,0,0|0,1,0]=2 97 B7R1.2 NC1CCC(O)C1 CS16172 [0,1,0,0,0,0|0,1,0]=2 98 B7R1.2 NC1CNC(=O)C1 MC103473 [0,1,0,0,0,0|1,1,1]=4 99 B7R1.2 NC1COC(=O)C1 CS14340 [0,1,0,0,0,0|1,1,1]=4 100 B7R1.2 NC1COC(=O)C1 CS14674 [0,1,0,0,0,0|1,1,1]=4 101 B7R1.2 O=C1CC(O)CN1 CS14706 [0,1,0,0,0,0|1,1,1]=4 102 B7R1.2 O=C1CC(O)CN1 CS16472 [0,1,0,0,0,0|1,1,1]=4 103 B7R1.2 O=C1CCC(I)C1 MC115016 [0,1,0,0,0,0|0,1,1]=3 104 B7R1.4 CC1COCC1N MC444024 [0,1,0,0,0,0|2,0,0]=3 105 B7R1.4 CC1OCCC1=O CS14135 [0,1,0,0,0,0|1,1,1]=4 106 B7R1.4 CN1CCCC1=O MC41699 [0,1,0,0,0,0|1,1,1]=4 107 B7R1.4 NC1CCCC1O CS11147 [0,1,0,0,0,0|0,1,0]=2 108 B7R1.4 NC1CCCC1O CS15594 [0,1,0,0,0,0|0,1,0]=2 109 B7R1.4 NC1CCCC1O CS18884 [0,1,0,0,0,0|0,1,0]=2 110 B7R1.4 NC1CCCC1O CS19404 [0,1,0,0,0,0|0,1,0]=2 111 B7R1.4 NC1CCNC1=O MC107169 [0,1,0,0,0,0|1,1,1]=4 112 B7R1.4 NC1CCNC1=O MC115917 [0,1,0,0,0,0|1,1,1]=4 113 B7R1.4 NC1CCOC1=O CS18578 [0,1,0,0,0,0|1,1,1]=4 114 B7R1.4 NC1CCOC1=O MC439296 [0,1,0,0,0,0|1,1,1]=4 115 B7R1.4 NC1CCSC1=O MC428331 [0,1,0,0,0,0|1,1,1]=4 116 B7R1.4 NC1COCC1N MC101979 [0,1,0,0,0,0|2,0,0]=3 117 B7R1.4 NC1COCC1N MC101980 [0,1,0,0,0,0|2,0,0]=3 118 B7R1.4 NC1COCC1N MC103863 [0,1,0,0,0,0|2,0,0]=3 119 B7R1.4 NC1COCC1N MC113515 [0,1,0,0,0,0|2,0,0]=3 120 B7R1.4 NC1COCC1N MC444023 [0,1,0,0,0,0|2,0,0]=3 121 B7R1.4 NC1COCC1O MC105386 [0,1,0,0,0,0|1,1,0]=3 122 B7R1.4 NC1COCC1O MC105387 [0,1,0,0,0,0|1,1,0]=3 123 B7R1.4 NC1COCC1O MC431325 [0,1,0,0,0,0|1,1,0]=3 124 B7R1.4 O=C1CCCC1Br MC445112 [0,1,0,0,0,0|0,1,1]=3 125 B7R1.4 O=C1NCCC1O CS19486 [0,1,0,0,0,0|1,1,1]=4 126 B7R1.4 O=C1NCCC1O MC115910 [0,1,0,0,0,0|1,1,1]=4 127 B7R1.4 O=C1NCCC1O MC444274 [0,1,0,0,0,0|1,1,1]=4 128 B7R1.4 OC1CNCC1O CS20186 [0,1,0,0,0,0|1,1,0]=3 129 B7R1.4 OC1CNCC1O MC103857 [0,1,0,0,0,0|1,1,0]=3 130 B7R1.14 CC1(C)NCCS1 CS22651 [0,1,0,0,0,0|3,0,0]=4 131 B7R1.14 CC1(O)CCCC1 CS20768 [0,1,0,0,0,0|0,1,0]=2 132 B7R1.14 CC1(O)CCNC1 MC107172 [0,1,0,0,0,0|1,1,0]=3 133 B7R1.14 FC1(F)CCNC1 CS16398 [0,1,0,0,0,0|2,0,0]=3 134 B5R0.1 C=C(C)CCBr CS14513 [0,0,1,0,0,0|2,0,1]=4 135 B5R0.1 CC(C)CC=O CS11530 [0,0,1,0,0,0|2,0,1]=4 136 B5R0.1 CC(N)CCO CS14355 [0,0,1,0,0,0|2,0,0]=3 137 B5R0.1 CC(N)CCO CS14356 [0,0,1,0,0,0|2,0,0]=3 138 B5R0.1 CC(N)CCO CS22096 [0,0,1,0,0,0|2,0,0]=3 139 B5R0.1 CC(O)CON CS17735 [0,0,1,0,0,0|2,1,0]=4 140 B5R0.1 CCCB(O)O CS14802 [0,0,1,0,0,0|2,1,0]=4 141 B5R0.1 CCCC(C)=O CS21731 [0,0,1,0,0,0|0,1,1]=3 142 B5R0.1 CCC[N+](=O)[O-] MC428297 [0,0,1,0,0,0|2,1,0]=4 143 B5R0.1 CN(C)CCBr CS10949 [0,0,1,0,0,0|3,0,0]=4 144 B5R0.1 CN(C)CCCl CS14471 [0,0,1,0,0,0|3,0,0]=4 145 B5R0.1 CN(C)CCCl CS17225 [0,0,1,0,0,0|3,0,0]=4 146 B5R0.1 CN(C)CCN CS18603 [0,0,1,0,0,0|3,0,0]=4 147 B5R0.1 CN(C)CCO CS11733 [0,0,1,0,0,0|3,0,0]=4 148 B5R0.1 COCC(C)N CS15401 [0,0,1,0,0,0|2,0,0]=3 149 B5R0.1 COCC(C)O CS20249 [0,0,1,0,0,0|1,1,0]=3 150 B5R0.1 COCC(C)O CS20309 [0,0,1,0,0,0|1,1,0]=3 151 B5R0.1 COCC(C)O CS20741 [0,0,1,0,0,0|1,1,0]=3 152 B5R0.2 BrCCCCBr MC41885 [0,0,1,0,0,0|2,0,0]=3 153 B5R0.2 CCCCCBr CS20657 [0,0,1,0,0,0|1,0,0]=2 154 B5R0.2 CCCC[Zn]Br MC121334 [0,0,1,0,0,0|2,0,0]=3 155 B5R0.2 CCOCCBr CS21396 [0,0,1,0,0,0|2,0,0]=3 156 B5R0.2 CCOCCCl MC428008 [0,0,1,0,0,0|2,0,0]=3 157 B5R0.2 CNCCC#N CS22369 [0,0,1,0,0,0|2,0,1]=4 158 B5R0.2 CNCCCO CS14200 [0,0,1,0,0,0|1,1,0]=3 159 B5R0.2 CNCCNC CS15116 [0,0,1,0,0,0|3,0,0]=4 160 B5R0.2 CNCCOC MC427349 [0,0,1,0,0,0|3,0,0]=4 161 B5R0.2 COCCC#N CS22345 [0,0,1,0,0,0|2,0,1]=4 162 B5R0.2 COCCCBr CS20649 [0,0,1,0,0,0|2,0,0]=3 163 B5R0.2 COCCCO CS20039 [0,0,1,0,0,0|1,1,0]=3 164 B5R0.2 COCCNN MC103229 [0,0,1,0,0,0|3,0,0]=4 165 B5R0.2 COCCNN MC107041 [0,0,1,0,0,0|3,0,0]=4 166 B5R0.2 COCCOC MC41899 [0,0,1,0,0,0|3,0,0]=4 167 B5R0.2 COCCOC MC445008 [0,0,1,0,0,0|3,0,0]=4 168 B5R0.2 N#CCCCBr MC433750 [0,0,1,0,0,0|2,0,1]=4 169 B5R0.2 NCCCCBr CS14979 [0,0,1,0,0,0|2,0,0]=3 170 B5R0.2 NCCCCN CS19906 [0,0,1,0,0,0|2,0,0]=3 171 B5R0.3 CCC(C)[Zn]Br MC121335 [0,0,1,0,0,0|3,0,0]=4 172 B5R0.3 CCC(N)CO CS15119 [0,0,1,0,0,0|2,0,0]=3 173 B5R0.3 CCC(N)CO MC10528 [0,0,1,0,0,0|2,0,0]=3 174 B5R0.3 CCC(N)CO MC20718 [0,0,1,0,0,0|2,0,0]=3 175 B5R0.3 CCC(N)CO MC436159 [0,0,1,0,0,0|2,0,0]=3 176 B5R0.3 CCC(O)CO CS15622 [0,0,1,0,0,0|1,1,0]=3 177 B5R0.3 COC(C)CN CS17733 [0,0,1,0,0,0|3,0,0]=4 178 B5R0.3 COC(C)CO CS12306 [0,0,1,0,0,0|3,0,0]=4 179 B5R0.3 NC(CO)CO CS18352 [0,0,1,0,0,0|3,0,0]=4 180 B5R0.3 NCC(O)CCl MC427329 [0,0,1,0,0,0|2,1,0]=4 181 B5R0.3 NCC(O)CN CS14232 [0,0,1,0,0,0|2,1,0]=4 182 B5R0.3 NCC(O)CO CS14832 [0,0,1,0,0,0|2,1,0]=4 183 B5R0.3 NCC(O)CO CS18397 [0,0,1,0,0,0|2,1,0]=4 184 B5R0.3 NCC(O)CO MC20311 [0,0,1,0,0,0|2,1,0]=4 185 B5R0.3 OC(CCl)CCl MC428012 [0,0,1,0,0,0|2,1,0]=4 186 B5R0.3 OC(CF)CF MC429449 [0,0,1,0,0,0|2,1,0]=4 187 B5R0.3 OCC(O)CCl CS15061 [0,0,1,0,0,0|2,1,0]=4 188 B5R0.3 OCC(O)CCl MC20314 [0,0,1,0,0,0|2,1,0]=4 189 B7R2.11 C1NC2CC1C2 MC102501 [0,0,0,1,0,0|2,0,0]=3 190 B7R2.13 C1CC2CC2N1 MC105462 [0,0,0,1,0,0|2,0,0]=3 191 B7R2.13 C1CC2CC2N1 MC121378 [0,0,0,1,0,0|2,0,0]=3 192 B7R2.13 C1NCC2CC12 MC104429 [0,0,0,1,0,0|2,0,0]=3 193 B7R2.13 C1NCC2CC12 MC425327 [0,0,0,1,0,0|2,0,0]=3 194 B5R1.2 BrC1CNC1 MC444255 [0,0,0,0,1,0|2,0,0]=3 195 B5R1.2 BrC1COC1 MC425330 [0,0,0,0,1,0|2,0,0]=3 196 B5R1.2 CC1CNC1 CS13089 [0,0,0,0,1,0|2,0,0]=3 197 B5R1.2 ClC1CNC1 MC444320 [0,0,0,0,1,0|2,0,0]=3 198 B5R1.2 FC1CNC1 CS22297 [0,0,0,0,1,0|2,0,0]=3 199 B5R1.2 FC1COC1 MC113065 [0,0,0,0,1,0|2,0,0]=3 200 B5R1.2 IC1CNC1 MC444286 [0,0,0,0,1,0|2,0,0]=3 201 B5R1.2 IC1COC1 MC10503 [0,0,0,0,1,0|2,0,0]=3 202 B5R1.2 NC1COC1 CS22388 [0,0,0,0,1,0|2,0,0]=3 203 B5R1.2 NC1COC1 MC425332 [0,0,0,0,1,0|2,0,0]=3 204 B5R1.2 NC1CSC1 MC102176 [0,0,0,0,1,0|2,0,0]=3 205 B5R1.2 NC1CSC1 MC115657 [0,0,0,0,1,0|2,0,0]=3 206 B5R1.2 O=C1CCC1 MC10479 [0,0,0,0,1,0|0,1,1]=3 207 B5R1.2 O=C1CCN1 MC31231 [0,0,0,0,1,0|1,1,1]=4 208 B5R1.2 O=C1CNC1 MC444241 [0,0,0,0,1,0|1,1,1]=4 209 B5R1.2 O=C1COC1 CS22391 [0,0,0,0,1,0|1,1,1]=4 210 B5R1.2 O=C1CSC1 CS13345 [0,0,0,0,1,0|1,1,1]=4 211 B5R1.2 OC1CCC1 CS11176 [0,0,0,0,1,0|0,1,0]=2 212 B5R1.2 OC1CNC1 CS14687 [0,0,0,0,1,0|1,1,0]=3 213 B5R1.2 OC1COC1 CS19329 [0,0,0,0,1,0|1,1,0]=3 214 B5R1.2 SC1COC1 MC101966 [0,0,0,0,1,0|1,0,0]=2 215 B7R1.3 BrC1CCCCC1 CS11079 [0,0,0,0,0,1|1,0,0]=2 216 B7R1.3 BrC1CCNCC1 CS18356 [0,0,0,0,0,1|1,0,0]=2 217 B7R1.3 BrC1CCOCC1 CS18193 [0,0,0,0,0,1|1,0,0]=2 218 B7R1.3 CC1CCCCN1 MC20418 [0,0,0,0,0,1|1,0,0]=2 219 B7R1.3 CC1CCCNC1 CS16133 [0,0,0,0,0,1|1,0,0]=2 220 B7R1.3 CC1CCCNC1 MC425227 [0,0,0,0,0,1|1,0,0]=2 221 B7R1.3 CC1CNCCN1 CS13503 [0,0,0,0,0,1|2,0,0]=3 222 B7R1.3 CC1CNCCN1 CS17164 [0,0,0,0,0,1|2,0,0]=3 223 B7R1.3 CC1CNCCN1 CS17167 [0,0,0,0,0,1|2,0,0]=3 224 B7R1.3 CC1CNCCO1 CS14515 [0,0,0,0,0,1|2,0,0]=3 225 B7R1.3 CC1CNCCO1 CS14521 [0,0,0,0,0,1|2,0,0]=3 226 B7R1.3 CC1CNCCO1 CS19299 [0,0,0,0,0,1|2,0,0]=3 227 B7R1.3 CC1CNCCO1 CS21692 [0,0,0,0,0,1|2,0,0]=3 228 B7R1.3 CC1CNCCO1 MC444038 [0,0,0,0,0,1|2,0,0]=3 229 B7R1.3 CC1CNCCO1 MC444192 [0,0,0,0,0,1|2,0,0]=3 230 B7R1.3 CC1COCCN1 CS14856 [0,0,0,0,0,1|2,0,0]=3 231 B7R1.3 CC1COCCN1 CS20285 [0,0,0,0,0,1|2,0,0]=3 232 B7R1.3 CC1COCCN1 CS22371 [0,0,0,0,0,1|2,0,0]=3 233 B7R1.3 CC1COCCN1 CS22413 [0,0,0,0,0,1|2,0,0]=3 234 B7R1.3 CC1COCCN1 MC20820 [0,0,0,0,0,1|2,0,0]=3 235 B7R1.3 CN1CC=CCC1 CS20742 [0,0,0,0,0,1|2,0,1]=4 236 B7R1.3 CN1CCNCC1 MC20458 [0,0,0,0,0,1|2,0,0]=3 237 B7R1.3 ClC1CCNCC1 CS16938 [0,0,0,0,0,1|1,0,0]=2 238 B7R1.3 FC1CCCNC1 MC101908 [0,0,0,0,0,1|1,0,0]=2 239 B7R1.3 FC1CCCNC1 MC101918 [0,0,0,0,0,1|1,0,0]=2 240 B7R1.3 FC1CCCNC1 MC444270 [0,0,0,0,0,1|1,0,0]=2 241 B7R1.3 FC1CCNCC1 CS22845 [0,0,0,0,0,1|1,0,0]=2 242 B7R1.3 IC1CCOCC1 CS18194 [0,0,0,0,0,1|1,0,0]=2 243 B7R1.3 NC1CCCNC1 CS17178 [0,0,0,0,0,1|1,0,0]=2 244 B7R1.3 NC1CCCNC1 CS17182 [0,0,0,0,0,1|1,0,0]=2 245 B7R1.3 NC1CCCNC1 CS22655 [0,0,0,0,0,1|1,0,0]=2 246 B7R1.3 NC1CCOCC1 CS16997 [0,0,0,0,0,1|1,0,0]=2 247 B7R1.3 NC1CCOCC1 CS18985 [0,0,0,0,0,1|1,0,0]=2 248 B7R1.3 O=C1C=CCCC1 MC41883 [0,0,0,0,0,1|0,1,2]=4 249 B7R1.3 O=C1CCCCN1 MC429045 [0,0,0,0,0,1|0,1,1]=3 250 B7R1.3 O=C1CCCCO1 CS11208 [0,0,0,0,0,1|0,1,1]=3 251 B7R1.3 O=C1CCCNC1 CS14768 [0,0,0,0,0,1|0,1,1]=3 252 B7R1.3 O=C1CCCNC1 CS17767 [0,0,0,0,0,1|0,1,1]=3 253 B7R1.3 O=C1CCCOC1 MC31097 [0,0,0,0,0,1|0,1,1]=3 254 B7R1.3 O=C1CCNCC1 CS22790 [0,0,0,0,0,1|0,1,1]=3 255 B7R1.3 O=C1CCOCC1 CS13380 [0,0,0,0,0,1|0,1,1]=3 256 B7R1.3 O=C1CCSCC1 CS18797 [0,0,0,0,0,1|0,1,1]=3 257 B7R1.3 O=C1CNCCN1 CS19142 [0,0,0,0,0,1|1,1,1]=4 258 B7R1.3 O=C1CNCCO1 MC441004 [0,0,0,0,0,1|1,1,1]=4 259 B7R1.3 O=C1COCCN1 CS11697 [0,0,0,0,0,1|1,1,1]=4 260 B7R1.3 O=C1COCCO1 MC20725 [0,0,0,0,0,1|1,1,1]=4 261 B7R1.3 OC1CCCNC1 CS17016 [0,0,0,0,0,1|0,1,0]=2 262 B7R1.3 OC1CCCNC1 CS17020 [0,0,0,0,0,1|0,1,0]=2 263 B7R1.3 OC1CCCNC1 CS22642 [0,0,0,0,0,1|0,1,0]=2 264 B7R1.3 OC1CCCOC1 CS17782 [0,0,0,0,0,1|0,1,0]=2 265 B7R1.3 OC1CCNCC1 CS14900 [0,0,0,0,0,1|0,1,0]=2 266 B7R1.3 OC1CCNCC1 CS22643 [0,0,0,0,0,1|0,1,0]=2 267 B7R1.3 OC1CCOCC1 CS13929 [0,0,0,0,0,1|0,1,0]=2 268 B7R1.3 OC1CCSCC1 CS12012 [0,0,0,0,0,1|0,1,0]=2 269 B7R1.3 SC1CCCNC1 MC105166 [0,0,0,0,0,1|0,0,0]=1 270 B7R1.3 SC1CCOCC1 MC107026 [0,0,0,0,0,1|0,0,0]=1 271 B4R0.1 CC(Cl)CO CS20251 [1,0,1,0,0,0|2,0,0]=4 272 B4R0.1 CC(Cl)CO MC428270 [1,0,1,0,0,0|2,0,0]=4 273 B4R0.1 CC(N)CN CS20323 [1,0,1,0,0,0|2,0,0]=4 274 B4R0.1 CC(N)CN MC10147 [1,0,1,0,0,0|2,0,0]=4 275 B4R0.1 CC(N)CO CS14182 [1,0,1,0,0,0|2,0,0]=4 276 B4R0.1 CC(N)CO CS19476 [1,0,1,0,0,0|2,0,0]=4 277 B4R0.1 CC(N)CO CS21310 [1,0,1,0,0,0|2,0,0]=4 278 B4R0.1 CC(O)CCl MC20696 [1,0,1,0,0,0|1,1,0]=4 279 B4R0.1 CC(O)CCl MC20697 [1,0,1,0,0,0|1,1,0]=4 280 B4R0.1 CC(O)CN CS14075 [1,0,1,0,0,0|1,1,0]=4 281 B4R0.1 CC(O)CO MC20330 [1,0,1,0,0,0|1,1,0]=4 282 B4R0.1 CCC(C)O MC10786 [1,0,1,0,0,0|0,1,0]=3 283 B4R0.2 CCCC=O MC41868 [1,0,1,0,0,0|0,1,1]=4 284 B4R0.2 CCCCO MC41869 [1,0,1,0,0,0|0,1,0]=3 285 B4R0.2 CCC[Zn]Br MC121348 [1,0,1,0,0,0|2,0,0]=4 286 B4R0.2 CCNCC CS11240 [1,0,1,0,0,0|1,0,0]=3 287 B4R0.2 CCOCC MC41960 [1,0,1,0,0,0|1,0,0]=3 288 B4R0.2 CC[Zn]CC MC10752 [1,0,1,0,0,0|1,0,0]=3 289 B4R0.2 CNCCO CS20910 [1,0,1,0,0,0|1,1,0]=4 290 B4R0.2 COCCCl MC428007 [1,0,1,0,0,0|2,0,0]=4 291 B4R0.2 ClCCCBr MC41861 [1,0,1,0,0,0|2,0,0]=4 292 B4R0.2 NCCCBr CS22190 [1,0,1,0,0,0|2,0,0]=4 293 B4R0.2 NCCCS MC428180 [1,0,1,0,0,0|1,0,0]=3 294 B4R0.2 [NH3+]CCCS MC428140 [1,0,1,0,0,0|1,0,0]=3 295 B6R0.1 CCC(C)CCBr MC112369 [0,1,1,0,0,0|2,0,0]=4 296 B6R0.1 CCCC(C)CBr MC112368 [0,1,1,0,0,0|1,0,0]=3 297 B6R0.1 CCCC(O)CO CS20495 [0,1,1,0,0,0|0,1,0]=3 298 B6R0.1 OC(CBr)CCBr MC107100 [0,1,1,0,0,0|1,1,0]=4 299 B6R0.1 OC(CBr)CCBr MC107101 [0,1,1,0,0,0|1,1,0]=4 300 B6R0.1 OCCC(O)CO MC42234 [0,1,1,0,0,0|1,1,0]=4 301 B6R0.1 [NH3+]CCC(F)C[NH3+] MC112759 [0,1,1,0,0,0|2,0,0]=4 302 B6R0.2 CC(C)PC(C)C MC444830 [0,1,1,0,0,0|2,0,0]=4 303 B6R0.3 CC(C)C(C)CO MC113312 [0,1,1,0,0,0|2,0,0]=4 304 B6R0.3 CC(C)C(N)CO CS17224 [0,1,1,0,0,0|2,0,0]=4 305 B6R0.3 CC(C)C(N)CO CS22659 [0,1,1,0,0,0|2,0,0]=4 306 B6R0.3 CC(O)C(N)CO MC438221 [0,1,1,0,0,0|1,1,0]=4 307 B6R0.4 CC(=O)CCCBr CS10305 [0,1,1,0,0,0|0,1,1]=4 308 B6R0.4 CC(=O)CCCCl CS10334 [0,1,1,0,0,0|0,1,1]=4 309 B6R0.4 CC(C)CCC=O MC428026 [0,1,1,0,0,0|1,0,1]=4 310 B6R0.4 CC(C)CCCO MC428025 [0,1,1,0,0,0|1,0,0]=3 311 B6R0.4 CC(C)NCCN MC20461 [0,1,1,0,0,0|2,0,0]=4 312 B6R0.4 CN(C)CCCBr CS22184 [0,1,1,0,0,0|2,0,0]=4 313 B6R0.4 CN(C)CCCCl CS13505 [0,1,1,0,0,0|2,0,0]=4 314 B6R0.4 CN(C)CCCCl CS14943 [0,1,1,0,0,0|2,0,0]=4 315 B6R0.4 CNCCN(C)C CS11723 [0,1,1,0,0,0|2,0,0]=4 316 B6R0.4 CNCCN(C)C CS15131 [0,1,1,0,0,0|2,0,0]=4 317 B6R0.5 CC(C)(C)CCO CS21905 [0,1,1,0,0,0|2,0,0]=4 318 B6R0.5 CC(C)(F)CCN MC116087 [0,1,1,0,0,0|2,0,0]=4 319 B6R0.5 CC(C)(O)CCBr CS15788 [0,1,1,0,0,0|1,1,0]=4 320 B6R0.6 BrCCCCCBr MC41886 [0,1,1,0,0,0|1,0,0]=3 321 B6R0.6 BrCCNCCBr CS11032 [0,1,1,0,0,0|2,0,0]=4 322 B6R0.6 C#CCCCCO MC424004 [0,1,1,0,0,0|0,1,1]=4 323 B6R0.6 C=CCCCCCl MC427568 [0,1,1,0,0,0|1,0,1]=4 324 B6R0.6 C=CCCCCN MC111853 [0,1,1,0,0,0|1,0,1]=4 325 B6R0.6 C=CCCCCO CS10397 [0,1,1,0,0,0|0,1,1]=4 326 B6R0.6 CCCOCCCl MC428009 [0,1,1,0,0,0|1,0,0]=3 327 B6R0.6 COCCCC=O MC111975 [0,1,1,0,0,0|0,1,1]=4 328 B6R0.6 COCCCCBr CS22933 [0,1,1,0,0,0|1,0,0]=3 329 B6R0.6 COCCCCCl MC428014 [0,1,1,0,0,0|1,0,0]=3 330 B6R0.6 ClCCNCCCl CS16038 [0,1,1,0,0,0|2,0,0]=4 331 B6R0.6 ClCCOCCCl MC41873 [0,1,1,0,0,0|2,0,0]=4 332 B6R0.6 FCCCCCBr CS14708 [0,1,1,0,0,0|1,0,0]=3 333 B6R0.6 FCCCC[Mg]Br MC116032 [0,1,1,0,0,0|2,0,0]=4 334 B6R0.6 N#CCCCCCl CS10359 [0,1,1,0,0,0|1,0,1]=4 335 B6R0.6 NCCCCCN CS19074 [0,1,1,0,0,0|1,0,0]=3 336 B6R0.6 OCCCCCCl CS14778 [0,1,1,0,0,0|0,1,0]=3 337 B6R0.6 OCCCCCO CS20549 [0,1,1,0,0,0|0,1,0]=3 338 B6R0.6 OCCOCCO MC41893 [0,1,1,0,0,0|1,1,0]=4 339 B6R0.6 SCCOCCS MC112783 [0,1,1,0,0,0|1,0,0]=3 340 B6R0.9 CCN(CC)CC MC426119 [0,1,1,0,0,0|2,0,0]=4 341 B6R0.9 CCP(CC)CC MC444861 [0,1,1,0,0,0|2,0,0]=4 342 B6R0.9 CCP(CC)CC MC444910 [0,1,1,0,0,0|2,0,0]=4 343 B6R0.9 CC[SiH](CC)CC MC41948 [0,1,1,0,0,0|1,1,0]=4 344 B6R1.4 NC1CCC1O MC111877 [0,1,0,0,1,0|0,1,0]=3 345 B6R1.5 CC1CC(N)C1 MC105778 [0,1,0,0,1,0|1,0,0]=3 346 B6R1.5 CN1CC(N)C1 MC444125 [0,1,0,0,1,0|2,0,0]=4 347 B6R1.5 CN1CC(O)C1 MC444271 [0,1,0,0,1,0|1,1,0]=4 348 B6R1.5 CN1CC(O)C1 MC444272 [0,1,0,0,1,0|1,1,0]=4 349 B6R1.5 NC1CC(=O)C1 MC444232 [0,1,0,0,1,0|0,1,1]=4 350 B6R1.5 NC1CC(F)C1 MC101921 [0,1,0,0,1,0|1,0,0]=3 351 B6R1.5 NC1CC(F)C1 MC104866 [0,1,0,0,1,0|1,0,0]=3 352 B6R1.5 NC1CC(F)C1 MC104867 [0,1,0,0,1,0|1,0,0]=3 353 B6R1.5 NC1CC(F)C1 MC112996 [0,1,0,0,1,0|1,0,0]=3 354 B6R1.5 NC1CC(F)C1 MC115644 [0,1,0,0,1,0|1,0,0]=3 355 B6R1.5 NC1CC(F)C1 MC444599 [0,1,0,0,1,0|1,0,0]=3 356 B6R1.5 NC1CC(N)C1 MC103595 [0,1,0,0,1,0|1,0,0]=3 357 B6R1.5 NC1CC(N)C1 MC103596 [0,1,0,0,1,0|1,0,0]=3 358 B6R1.5 NC1CC(N)C1 MC103597 [0,1,0,0,1,0|1,0,0]=3 359 B6R1.5 NC1CC(N)C1 MC103598 [0,1,0,0,1,0|1,0,0]=3 360 B6R1.5 NC1CC(N)C1 MC104654 [0,1,0,0,1,0|1,0,0]=3 361 B6R1.5 NC1CC(O)C1 MC105248 [0,1,0,0,1,0|0,1,0]=3 362 B6R1.5 NC1CC(O)C1 MC105286 [0,1,0,0,1,0|0,1,0]=3 363 B6R1.5 NC1CC(O)C1 MC444231 [0,1,0,0,1,0|0,1,0]=3 364 B6R1.5 NC1CC(O)C1 MC444480 [0,1,0,0,1,0|0,1,0]=3 365 B6R1.5 NC1CC(O)C1 MC444598 [0,1,0,0,1,0|0,1,0]=3 366 B6R1.5 O=C1CC(F)C1 MC104154 [0,1,0,0,1,0|0,1,1]=4 367 B6R1.5 OC1CC(F)C1 MC103711 [0,1,0,0,1,0|0,1,0]=3 368 B6R1.5 OC1CC(F)C1 MC104375 [0,1,0,0,1,0|0,1,0]=3 369 B6R1.5 OC1CC(F)C1 MC104868 [0,1,0,0,1,0|0,1,0]=3 370 B6R1.6 BrCC1CCC1 MC10470 [0,1,0,0,1,0|1,0,0]=3 371 B6R1.6 BrCC1CCO1 MC444177 [0,1,0,0,1,0|2,0,0]=4 372 B6R1.6 CNC1CNC1 MC444567 [0,1,0,0,1,0|2,0,0]=4 373 B6R1.6 CNC1COC1 MC425340 [0,1,0,0,1,0|2,0,0]=4 374 B6R1.6 CNC1COC1 MC444120 [0,1,0,0,1,0|2,0,0]=4 375 B6R1.6 COC1CNC1 CS17370 [0,1,0,0,1,0|1,1,0]=4 376 B6R1.6 Cl[Zn]C1CCC1 MC121327 [0,1,0,0,1,0|1,0,0]=3 377 B6R1.6 ICC1COC1 MC101907 [0,1,0,0,1,0|2,0,0]=4 378 B6R1.6 N#CC1CNC1 CS10942 [0,1,0,0,1,0|2,0,0]=4 379 B6R1.6 NCC1CCC1 CS11178 [0,1,0,0,1,0|1,0,0]=3 380 B6R1.6 NCC1CCN1 MC121273 [0,1,0,0,1,0|2,0,0]=4 381 B6R1.6 NCC1CCO1 MC121118 [0,1,0,0,1,0|2,0,0]=4 382 B6R1.6 NCC1CNC1 MC105370 [0,1,0,0,1,0|2,0,0]=4 383 B6R1.6 NCC1COC1 MC10517 [0,1,0,0,1,0|2,0,0]=4 384 B6R1.6 NCC1CSC1 MC121257 [0,1,0,0,1,0|2,0,0]=4 385 B6R1.6 NNC1CCC1 MC111229 [0,1,0,0,1,0|1,0,0]=3 386 B6R1.6 NNC1COC1 MC111202 [0,1,0,0,1,0|2,0,0]=4 387 B6R1.6 OCC1CCN1 CS15230 [0,1,0,0,1,0|1,1,0]=4 388 B6R1.6 OCC1CCN1 MC102029 [0,1,0,0,1,0|1,1,0]=4 389 B6R1.6 OCC1CCN1 MC102030 [0,1,0,0,1,0|1,1,0]=4 390 B6R1.6 OCC1CCO1 CS15009 [0,1,0,0,1,0|1,1,0]=4 391 B6R1.6 OCC1CNC1 CS12891 [0,1,0,0,1,0|1,1,0]=4 392 B6R1.6 OCC1CNC1 MC444028 [0,1,0,0,1,0|1,1,0]=4 393 B6R1.6 OCC1COC1 CS14670 [0,1,0,0,1,0|1,1,0]=4 394 B6R1.10 CC1(F)CNC1 MC102153 [0,1,0,0,1,0|2,0,0]=4 395 B6R1.10 CC1(N)COC1 CS14859 [0,1,0,0,1,0|2,0,0]=4 396 B6R1.10 CC1(N)COC1 MC444292 [0,1,0,0,1,0|2,0,0]=4 397 B6R1.10 CC1(N)CSC1 MC113158 [0,1,0,0,1,0|2,0,0]=4 398 B6R1.10 CC1(O)CNC1 CS15502 [0,1,0,0,1,0|1,1,0]=4 399 B6R1.10 FC1(F)CNC1 CS21899 [0,1,0,0,1,0|2,0,0]=4 400 B8R1.2 BrCC1=CCCCC1 MC103521 [0,1,0,0,0,1|1,0,1]=4 401 B8R1.2 BrCC1CCCCC1 CS19887 [0,1,0,0,0,1|1,0,0]=3 402 B8R1.2 BrCC1CCCOC1 MC102393 [0,1,0,0,0,1|1,0,0]=3 403 B8R1.2 Br[Zn]C1C=CCCC1 MC116069 [0,1,0,0,0,1|1,0,1]=4 404 B8R1.2 Br[Zn]C1CCCCC1 MC121343 [0,1,0,0,0,1|1,0,0]=3 405 B8R1.2 Br[Zn]C1CCOCC1 MC116068 [0,1,0,0,0,1|1,0,0]=3 406 B8R1.2 C#CC1CCCOC1 MC104582 [0,1,0,0,0,1|1,0,0]=3 407 B8R1.2 C#CC1CCSCC1 MC104148 [0,1,0,0,0,1|1,0,0]=3 408 B8R1.2 C=CC1CC=CCC1 MC115110 [0,1,0,0,0,1|1,0,1]=4 409 B8R1.2 CCC1CNCCN1 MC31046 [0,1,0,0,0,1|2,0,0]=4 410 B8R1.2 CCC1CNCCN1 MC31080 [0,1,0,0,0,1|2,0,0]=4 411 B8R1.2 CCC1CNCCO1 MC444035 [0,1,0,0,0,1|2,0,0]=4 412 B8R1.2 CCC1CNCCO1 MC444058 [0,1,0,0,0,1|2,0,0]=4 413 B8R1.2 CCC1CNCCO1 MC444187 [0,1,0,0,0,1|2,0,0]=4 414 B8R1.2 CCC1COCCN1 MC20812 [0,1,0,0,0,1|2,0,0]=4 415 B8R1.2 CCC1COCCN1 MC444040 [0,1,0,0,0,1|2,0,0]=4 416 B8R1.2 CCC1COCCN1 MC444061 [0,1,0,0,0,1|2,0,0]=4 417 B8R1.2 CCC1COCCN1 MC444269 [0,1,0,0,0,1|2,0,0]=4 418 B8R1.2 CCN1CCNCC1 CS20680 [0,1,0,0,0,1|2,0,0]=4 419 B8R1.2 CNC1CCCNC1 CS22823 [0,1,0,0,0,1|1,0,0]=3 420 B8R1.2 CNC1CCOCC1 CS15192 [0,1,0,0,0,1|1,0,0]=3 421 B8R1.2 COC1CCCNC1 MC31194 [0,1,0,0,0,1|0,1,0]=3 422 B8R1.2 COC1CCCNC1 MC444290 [0,1,0,0,0,1|0,1,0]=3 423 B8R1.2 COC1CCNCC1 MC444354 [0,1,0,0,0,1|0,1,0]=3 424 B8R1.2 CON1CCNCC1 MC106159 [0,1,0,0,0,1|1,1,0]=4 425 B8R1.2 CSC1CCNCC1 MC444359 [0,1,0,0,0,1|0,0,0]=2 426 B8R1.2 ClCC1CNCCO1 MC106711 [0,1,0,0,0,1|2,0,0]=4 427 B8R1.2 Cl[Mg]C1CCOCC1 MC121322 [0,1,0,0,0,1|1,0,0]=3 428 B8R1.2 ICC1CCOCC1 MC31010 [0,1,0,0,0,1|1,0,0]=3 429 B8R1.2 N#CC1CCCCN1 MC105353 [0,1,0,0,0,1|1,0,0]=3 430 B8R1.2 N#CC1CCCCN1 MC444185 [0,1,0,0,0,1|1,0,0]=3 431 B8R1.2 N#CC1CCCNC1 MC105598 [0,1,0,0,0,1|1,0,0]=3 432 B8R1.2 N#CC1CCCNC1 MC444266 [0,1,0,0,0,1|1,0,0]=3 433 B8R1.2 N#CC1CCOCC1 CS12562 [0,1,0,0,0,1|1,0,0]=3 434 B8R1.2 N#CC1CNCCN1 CS12950 [0,1,0,0,0,1|2,0,0]=4 435 B8R1.2 N#CC1CNCCO1 MC442480 [0,1,0,0,0,1|2,0,0]=4 436 B8R1.2 NCC1CCCCC1 MC20908 [0,1,0,0,0,1|1,0,0]=3 437 B8R1.2 NCC1CCCCN1 CS22822 [0,1,0,0,0,1|1,0,0]=3 438 B8R1.2 NCC1CCCOC1 CS18439 [0,1,0,0,0,1|1,0,0]=3 439 B8R1.2 NCC1CCCOC1 MC105501 [0,1,0,0,0,1|1,0,0]=3 440 B8R1.2 NCC1CCCOC1 MC105502 [0,1,0,0,0,1|1,0,0]=3 441 B8R1.2 NCC1CCOCC1 CS18584 [0,1,0,0,0,1|1,0,0]=3 442 B8R1.2 NCC1CCSCC1 MC102976 [0,1,0,0,0,1|1,0,0]=3 443 B8R1.2 NCC1CCSCC1 MC111187 [0,1,0,0,0,1|1,0,0]=3 444 B8R1.2 NCC1COCCO1 MC444012 [0,1,0,0,0,1|2,0,0]=4 445 B8R1.2 NCC1COCCO1 MC444016 [0,1,0,0,0,1|2,0,0]=4 446 B8R1.2 NNC1CCCCC1 MC442574 [0,1,0,0,0,1|1,0,0]=3 447 B8R1.2 NNC1CCCCC1 MC442575 [0,1,0,0,0,1|1,0,0]=3 448 B8R1.2 NNC1CCOCC1 CS13041 [0,1,0,0,0,1|1,0,0]=3 449 B8R1.2 NNC1CCOCC1 CS20368 [0,1,0,0,0,1|1,0,0]=3 450 B8R1.2 NOC1CCCCO1 CS17026 [0,1,0,0,0,1|0,1,0]=3 451 B8R1.2 O=CC1CCCCC1 MC20143 [0,1,0,0,0,1|0,1,0]=3 452 B8R1.2 O=CC1CCCOC1 MC442323 [0,1,0,0,0,1|0,1,0]=3 453 B8R1.2 O=CC1CCOCC1 MC445812 [0,1,0,0,0,1|0,1,0]=3 454 B8R1.2 O=CN1CCOCC1 CS11780 [0,1,0,0,0,1|1,1,0]=4 455 B8R1.2 OCC1CCCCC1 MC20144 [0,1,0,0,0,1|0,1,0]=3 456 B8R1.2 OCC1CCCCN1 CS21780 [0,1,0,0,0,1|0,1,0]=3 457 B8R1.2 OCC1CCCNC1 CS15958 [0,1,0,0,0,1|0,1,0]=3 458 B8R1.2 OCC1CCCNC1 CS22817 [0,1,0,0,0,1|0,1,0]=3 459 B8R1.2 OCC1CCCOC1 MC31058 [0,1,0,0,0,1|0,1,0]=3 460 B8R1.2 OCC1CCNCC1 CS22819 [0,1,0,0,0,1|0,1,0]=3 461 B8R1.2 OCC1CCOCC1 CS18741 [0,1,0,0,0,1|0,1,0]=3 462 B8R1.2 OCC1CNCCO1 CS14518 [0,1,0,0,0,1|1,1,0]=4 463 B8R1.2 OCC1CNCCO1 CS15145 [0,1,0,0,0,1|1,1,0]=4 464 B8R1.2 OCC1CNCCO1 CS15312 [0,1,0,0,0,1|1,1,0]=4 465 B8R1.2 OCC1COCCN1 CS15269 [0,1,0,0,0,1|1,1,0]=4 466 B8R1.2 OCC1COCCN1 CS15280 [0,1,0,0,0,1|1,1,0]=4 467 B8R1.2 OCC1COCCN1 MC106628 [0,1,0,0,0,1|1,1,0]=4 468 B8R1.2 OCC1COCCN1 MC115923 [0,1,0,0,0,1|1,1,0]=4 469 B8R1.2 OCC1COCCN1 MC444278 [0,1,0,0,0,1|1,1,0]=4 470 B8R1.2 OCC1COCCO1 MC107175 [0,1,0,0,0,1|1,1,0]=4 471 B8R1.2 OCC1COCCO1 MC107176 [0,1,0,0,0,1|1,1,0]=4 472 B8R1.3 C=C1CCC(=O)CC1 MC106742 [0,1,0,0,0,1|0,1,1]=4 473 B8R1.3 C=C1CCC(C)CC1 MC105701 [0,1,0,0,0,1|1,0,0]=3 474 B8R1.3 CC1CNC(C)CN1 CS14078 [0,1,0,0,0,1|2,0,0]=4 475 B8R1.3 CC1CNC(C)CN1 MC103638 [0,1,0,0,0,1|2,0,0]=4 476 B8R1.3 CC1COC(C)CN1 MC107001 [0,1,0,0,0,1|2,0,0]=4 477 B8R1.3 CC1COC(C)CN1 MC107002 [0,1,0,0,0,1|2,0,0]=4 478 B8R1.3 CN1CCC(=O)CC1 CS18410 [0,1,0,0,0,1|0,1,1]=4 479 B8R1.3 CN1CCC(Cl)CC1 CS18485 [0,1,0,0,0,1|1,0,0]=3 480 B8R1.3 CN1CCC(N)CC1 CS18628 [0,1,0,0,0,1|1,0,0]=3 481 B8R1.3 CN1CCC(O)CC1 CS13491 [0,1,0,0,0,1|0,1,0]=3 482 B8R1.3 NC1CCC(=O)CC1 CS22583 [0,1,0,0,0,1|1,0,0]=3 483 B8R1.3 NC1CCC(=O)NC1 MC113024 [0,1,0,0,0,1|0,1,1]=4 484 B8R1.3 NC1CCC(=O)NC1 MC444382 [0,1,0,0,0,1|0,1,1]=4 485 B8R1.3 NC1CCC(N)CC1 CS18629 [0,1,0,0,0,1|1,0,0]=3 486 B8R1.3 NC1CCC(N)CC1 MC20732 [0,1,0,0,0,1|1,0,0]=3 487 B8R1.3 NC1CCC(O)CC1 CS12038 [0,1,0,0,0,1|0,1,0]=3 488 B8R1.3 NC1CCC(O)CC1 CS15381 [0,1,0,0,0,1|0,1,0]=3 489 B8R1.3 NC1CCC(O)CC1 CS18581 [0,1,0,0,0,1|0,1,0]=3 490 B8R1.3 NC1CCC(O)CC1 CS18592 [0,1,0,0,0,1|0,1,0]=3 491 B8R1.3 O=C1CCC(=O)CC1 CS19236 [0,1,0,0,0,1|0,1,1]=4 492 B8R1.3 O=C1CCC(O)CC1 CS22889 [0,1,0,0,0,1|0,1,0]=3 493 B8R1.3 OC1CCC(O)CC1 CS20531 [0,1,0,0,0,1|0,1,0]=3 494 B8R1.3 OC1CCC(O)CC1 MC103601 [0,1,0,0,0,1|0,1,0]=3 495 B8R1.3 OC1COC(O)CO1 MC440451 [0,1,0,0,0,1|1,1,0]=4 496 B8R1.3 OC1CSC(O)CS1 MC41677 [0,1,0,0,0,1|1,1,0]=4 497 B8R1.4 CC1=CC(O)CCC1 MC111652 [0,1,0,0,0,1|0,1,1]=4 498 B8R1.4 CC1CC(=O)CCN1 MC101989 [0,1,0,0,0,1|0,1,1]=4 499 B8R1.4 CC1CC(=O)CCN1 MC103769 [0,1,0,0,0,1|0,1,1]=4 500 B8R1.4 CC1CC(=O)CCN1 MC444193 [0,1,0,0,0,1|0,1,1]=4 501 B8R1.4 CC1CC(=O)CCO1 MC103799 [0,1,0,0,0,1|0,1,1]=4 502 B8R1.4 CC1CC(=O)CCO1 MC103800 [0,1,0,0,0,1|0,1,1]=4 503 B8R1.4 CC1CC(=O)CCO1 MC31001 [0,1,0,0,0,1|0,1,1]=4 504 B8R1.4 CC1CC(O)CCN1 MC102122 [0,1,0,0,0,1|0,1,0]=3 505 B8R1.4 CC1CC(O)CCN1 MC102123 [0,1,0,0,0,1|0,1,0]=3 506 B8R1.4 CC1CC(O)CCN1 MC102289 [0,1,0,0,0,1|0,1,0]=3 507 B8R1.4 CC1CC(O)CCO1 MC31218 [0,1,0,0,0,1|0,1,0]=3 508 B8R1.4 CC1CCNC(C)C1 CS21125 [0,1,0,0,0,1|1,0,0]=3 509 B8R1.4 CC1CN(C)CCN1 MC102815 [0,1,0,0,0,1|2,0,0]=4 510 B8R1.4 CC1CNCC(C)C1 CS14191 [0,1,0,0,0,1|1,0,0]=3 511 B8R1.4 CC1CNCC(C)N1 CS18625 [0,1,0,0,0,1|2,0,0]=4 512 B8R1.4 CC1CNCC(C)N1 CS21187 [0,1,0,0,0,1|2,0,0]=4 513 B8R1.4 CC1CNCC(C)N1 MC103637 [0,1,0,0,0,1|2,0,0]=4 514 B8R1.4 CC1CNCC(C)N1 MC104476 [0,1,0,0,0,1|2,0,0]=4 515 B8R1.4 CC1CNCC(C)N1 MC444588 [0,1,0,0,0,1|2,0,0]=4 516 B8R1.4 CC1CNCC(C)O1 MC121304 [0,1,0,0,0,1|2,0,0]=4 517 B8R1.4 CC1CNCC(C)O1 MC428243 [0,1,0,0,0,1|2,0,0]=4 518 B8R1.4 CC1CNCC(C)O1 MC444593 [0,1,0,0,0,1|2,0,0]=4 519 B8R1.4 CC1COCC(C)N1 MC103641 [0,1,0,0,0,1|2,0,0]=4 520 B8R1.4 CC1COCC(C)N1 MC104538 [0,1,0,0,0,1|2,0,0]=4 521 B8R1.4 CC1COCC(C)N1 MC105667 [0,1,0,0,0,1|2,0,0]=4 522 B8R1.4 CC1COCC(C)N1 MC105668 [0,1,0,0,0,1|2,0,0]=4 523 B8R1.4 CC1COCC(C)N1 MC113396 [0,1,0,0,0,1|2,0,0]=4 524 B8R1.4 CN1CCCC(N)C1 MC102357 [0,1,0,0,0,1|1,0,0]=3 525 B8R1.4 CN1CCCC(N)C1 MC444039 [0,1,0,0,0,1|1,0,0]=3 526 B8R1.4 CN1CCCC(N)C1 MC444227 [0,1,0,0,0,1|1,0,0]=3 527 B8R1.4 CN1CCCC(O)C1 MC445500 [0,1,0,0,0,1|0,1,0]=3 528 B8R1.4 NC1CCCC(N)C1 CS17066 [0,1,0,0,0,1|1,0,0]=3 529 B8R1.4 NC1CCCC(O)C1 CS17342 [0,1,0,0,0,1|0,1,0]=3 530 B8R1.4 NC1CCCC(O)C1 CS18558 [0,1,0,0,0,1|0,1,0]=3 531 B8R1.4 NC1CCCC(O)C1 MC116000 [0,1,0,0,0,1|0,1,0]=3 532 B8R1.4 NC1CCCC(O)C1 MC116001 [0,1,0,0,0,1|0,1,0]=3 533 B8R1.4 NC1CCNC(=O)C1 CS15459 [0,1,0,0,0,1|0,1,1]=4 534 B8R1.4 NC1CCNC(=O)C1 MC444313 [0,1,0,0,0,1|0,1,1]=4 535 B8R1.4 O=C1CCCC(=O)C1 CS19094 [0,1,0,0,0,1|0,1,1]=4 536 B8R1.5 BrC1CCCCC1Br CS20488 [0,1,0,0,0,1|1,0,0]=3 537 B8R1.5 CC1CCNCC1=O MC105562 [0,1,0,0,0,1|0,1,1]=4 538 B8R1.5 CC1CCNCC1O MC103744 [0,1,0,0,0,1|0,1,0]=3 539 B8R1.5 CC1CCNCC1O MC103745 [0,1,0,0,0,1|0,1,0]=3 540 B8R1.5 CC1CCNCC1O MC105563 [0,1,0,0,0,1|0,1,0]=3 541 B8R1.5 CC1CCNCC1O MC105564 [0,1,0,0,0,1|0,1,0]=3 542 B8R1.5 CC1CCNCC1O MC444275 [0,1,0,0,0,1|0,1,0]=3 543 B8R1.5 CC1CNCCC1=O MC106748 [0,1,0,0,0,1|0,1,1]=4 544 B8R1.5 CC1CNCCN1C MC444011 [0,1,0,0,0,1|2,0,0]=4 545 B8R1.5 CC1CNCCN1C MC444015 [0,1,0,0,0,1|2,0,0]=4 546 B8R1.5 CC1COCCC1=O MC425868 [0,1,0,0,0,1|0,1,1]=4 547 B8R1.5 CC1COCCC1N MC100869 [0,1,0,0,0,1|1,0,0]=3 548 B8R1.5 CC1COCCC1N MC104730 [0,1,0,0,0,1|1,0,0]=3 549 B8R1.5 FC1CCNCC1F MC105603 [0,1,0,0,0,1|1,0,0]=3 550 B8R1.5 FC1CCNCC1F MC105604 [0,1,0,0,0,1|1,0,0]=3 551 B8R1.5 NC1CCCCC1N CS11826 [0,1,0,0,0,1|1,0,0]=3 552 B8R1.5 NC1CCCCC1N CS22821 [0,1,0,0,0,1|1,0,0]=3 553 B8R1.5 NC1CCCCC1O CS12403 [0,1,0,0,0,1|0,1,0]=3 554 B8R1.5 NC1CCCCC1O CS12547 [0,1,0,0,0,1|0,1,0]=3 555 B8R1.5 NC1CCCCC1O CS12548 [0,1,0,0,0,1|0,1,0]=3 556 B8R1.5 NC1CCCCC1O CS14928 [0,1,0,0,0,1|0,1,0]=3 557 B8R1.5 NC1CCCCC1O CS18590 [0,1,0,0,0,1|0,1,0]=3 558 B8R1.5 NC1CCCCC1O MC20710 [0,1,0,0,0,1|0,1,0]=3 559 B8R1.5 NC1CCCCC1O MC20824 [0,1,0,0,0,1|0,1,0]=3 560 B8R1.5 NC1CCCNC1=O MC106744 [0,1,0,0,0,1|0,1,1]=4 561 B8R1.5 NC1CCOCC1O MC102103 [0,1,0,0,0,1|0,1,0]=3 562 B8R1.5 NC1CCOCC1O MC102104 [0,1,0,0,0,1|0,1,0]=3 563 B8R1.5 NC1CCOCC1O MC102509 [0,1,0,0,0,1|0,1,0]=3 564 B8R1.5 NC1COCCC1O MC427129 [0,1,0,0,0,1|0,1,0]=3 565 B8R1.5 O=C1CCCCC1=O CS20486 [0,1,0,0,0,1|0,1,1]=4 566 B8R1.5 O=C1CCNCC1Br MC106749 [0,1,0,0,0,1|0,1,1]=4 567 B8R1.5 O=C1NCCCC1Br CS14644 [0,1,0,0,0,1|0,1,1]=4 568 B8R1.5 O=C1NCCCC1O CS19689 [0,1,0,0,0,1|0,1,1]=4 569 B8R1.5 O=C1OCCCC1O CS16147 [0,1,0,0,0,1|0,1,1]=4 570 B8R1.5 OC1CCCCC1F MC107093 [0,1,0,0,0,1|0,1,0]=3 571 B8R1.5 OC1CCCCC1O CS12029 [0,1,0,0,0,1|0,1,0]=3 572 B8R1.5 OC1CCNCC1F MC101962 [0,1,0,0,0,1|0,1,0]=3 573 B8R1.5 OC1CCNCC1F MC103718 [0,1,0,0,0,1|0,1,0]=3 574 B8R1.5 OC1CCNCC1O MC101991 [0,1,0,0,0,1|0,1,0]=3 575 B8R1.5 OC1CCNCC1O MC111756 [0,1,0,0,0,1|0,1,0]=3 576 B8R1.5 OC1CCNCC1O MC116420 [0,1,0,0,0,1|0,1,0]=3 577 B8R1.5 OC1CNCCC1F MC101961 [0,1,0,0,0,1|0,1,0]=3 578 B8R1.72 CC1(C)CCNCC1 CS13819 [0,1,0,0,0,1|1,0,0]=3 579 B8R1.72 CC1(C)CNCCN1 CS18507 [0,1,0,0,0,1|2,0,0]=4 580 B8R1.72 CC1(C)CNCCO1 MC100077 [0,1,0,0,0,1|2,0,0]=4 581 B8R1.72 CC1(C)COCCN1 CS21909 [0,1,0,0,0,1|2,0,0]=4 582 B8R1.72 CC1(N)CCOCC1 CS14346 [0,1,0,0,0,1|1,0,0]=3 583 B8R1.72 CC1(N)CCOCC1 MC106879 [0,1,0,0,0,1|1,0,0]=3 584 B8R1.72 CC1(O)CCCNC1 MC444294 [0,1,0,0,0,1|0,1,0]=3 585 B8R1.72 CC1(O)CCNCC1 MC443374 [0,1,0,0,0,1|0,1,0]=3 586 B8R1.72 CC1(O)CCOCC1 CS12641 [0,1,0,0,0,1|0,1,0]=3 587 B8R1.72 FC1(F)CCCNC1 CS21902 [0,1,0,0,0,1|1,0,0]=3 588 B8R1.72 FC1(F)CCNCC1 CS18259 [0,1,0,0,0,1|1,0,0]=3 589 B8R1.72 O=S1(=O)CCCCN1 MC428209 [0,1,0,0,0,1|1,1,0]=4 590 B8R1.72 O=S1(=O)CCNCC1 CS16686 [0,1,0,0,0,1|1,1,0]=4 591 B8R1.72 OC1(O)CCNCC1 CS10106 [0,1,0,0,0,1|0,1,0]=3 592 B8R1.1 CN1CCC(CN)C1 MC104144 [0,2,0,0,0,0|2,0,0]=4 593 B8R1.1 CN1CCC(CN)C1 MC105308 [0,2,0,0,0,0|2,0,0]=4 594 B8R1.1 CN1CCC(CO)C1 MC102370 [0,2,0,0,0,0|1,1,0]=4 595 B8R1.1 CN1CCC(CO)C1 MC102371 [0,2,0,0,0,0|1,1,0]=4 596 B8R1.1 OCC1CC(O)CN1 CS20184 [0,2,0,0,0,0|1,1,0]=4 597 B8R1.7 CC(=O)C1CCCC1 CS20673 [0,2,0,0,0,0|0,1,0]=3 598 B8R1.7 CC(=O)C1CCCC1 MC445790 [0,2,0,0,0,0|0,1,0]=3 599 B8R1.7 CN(C)C1CCNC1 CS20281 [0,2,0,0,0,0|2,0,0]=4 600 B8R1.7 NC(=O)C1CCCN1 CS22629 [0,2,0,0,0,0|1,1,0]=4 601 B8R1.7 NC(=O)C1CCCN1 MC438122 [0,2,0,0,0,0|1,1,0]=4 602 B8R1.7 NC(=O)C1CCCN1 MC438123 [0,2,0,0,0,0|1,1,0]=4 603 B8R1.7 NC(=O)C1CCCN1 MC438124 [0,2,0,0,0,0|1,1,0]=4 604 B8R1.7 NC(=O)C1CCCN1 MC438125 [0,2,0,0,0,0|1,1,0]=4 605 B8R1.7 O=C(O)C1CCCN1 CS18287 [0,2,0,0,0,0|1,1,0]=4 606 B8R1.7 O=C(O)C1CCCN1 CS18742 [0,2,0,0,0,0|1,1,0]=4 607 B8R1.7 O=C(O)C1CCCN1 CS22249 [0,2,0,0,0,0|1,1,0]=4 608 B8R1.7 O=C(O)C1CCCO1 CS16192 [0,2,0,0,0,0|1,1,0]=4 609 B8R1.7 O=C(O)C1CCCO1 CS18232 [0,2,0,0,0,0|1,1,0]=4 610 B8R1.7 O=C(O)C1CCCO1 MC20393 [0,2,0,0,0,0|1,1,0]=4 611 B8R1.7 O=C(O)C1CCNC1 CS18444 [0,2,0,0,0,0|1,1,0]=4 612 B8R1.7 O=C(O)C1CCNC1 CS19637 [0,2,0,0,0,0|1,1,0]=4 613 B8R1.7 O=C(O)C1CCOC1 CS19475 [0,2,0,0,0,0|1,1,0]=4 614 B8R1.7 O=C(O)C1CCOC1 MC444586 [0,2,0,0,0,0|1,1,0]=4 615 B8R1.7 OB(O)C1CCOC1 MC114068 [0,2,0,0,0,0|1,1,0]=4 616 B8R1.8 C#CCN1CCCC1 MC443168 [0,2,0,0,0,0|2,0,0]=4 617 B8R1.8 C#CCN1CCCC1 MC443717 [0,2,0,0,0,0|2,0,0]=4 618 B8R1.8 COCC1CCCN1 CS20310 [0,2,0,0,0,0|1,1,0]=4 619 B8R1.8 COCC1CCNC1 MC104848 [0,2,0,0,0,0|1,1,0]=4 620 B8R1.8 COCC1CCNC1 MC105535 [0,2,0,0,0,0|1,1,0]=4 621 B8R1.8 ClCCN1CCCC1 CS15769 [0,2,0,0,0,0|2,0,0]=4 622 B8R1.8 ICCC1CCCC1 MC106254 [0,2,0,0,0,0|1,0,0]=3 623 B8R1.8 NCCC1CCCC1 CS15909 [0,2,0,0,0,0|1,0,0]=3 624 B8R1.8 OCCC1CCCN1 MC103847 [0,2,0,0,0,0|1,1,0]=4 625 B8R1.8 OCCC1CCCN1 MC106622 [0,2,0,0,0,0|1,1,0]=4 626 B8R1.11 CN1CCCC1CN MC444032 [0,2,0,0,0,0|2,0,0]=4 627 B8R1.11 CN1CCCC1CN MC444049 [0,2,0,0,0,0|2,0,0]=4 628 B8R1.11 CN1CCCC1CO CS14186 [0,2,0,0,0,0|1,1,0]=4 629 B8R1.11 CN1CCCC1CO CS22816 [0,2,0,0,0,0|1,1,0]=4 630 B8R1.11 COC1CNCC1F MC102136 [0,2,0,0,0,0|1,1,0]=4 631 B8R1.11 N#CC1CCCC1=O CS20047 [0,2,0,0,0,0|0,1,1]=4 632 B8R1.11 N#CC1CCCC1N MC104396 [0,2,0,0,0,0|1,0,0]=3 633 B8R1.52 C#CC1(O)CCOC1 MC104955 [0,2,0,0,0,0|1,1,0]=4 634 B8R1.52 CC1(C#N)CCNC1 MC104346 [0,2,0,0,0,0|2,0,0]=4 635 B8R1.52 CC1(CBr)CCOC1 MC104228 [0,2,0,0,0,0|2,0,0]=4 636 B8R1.52 CC1(CN)CCNC1 MC100100 [0,2,0,0,0,0|2,0,0]=4 637 B8R1.52 CC1(CN)CCOC1 MC103499 [0,2,0,0,0,0|2,0,0]=4 638 B8R1.52 CC1(CO)CCOC1 MC104227 [0,2,0,0,0,0|1,1,0]=4 639 B8R1.52 NC1(CO)CCOC1 MC103469 [0,2,0,0,0,0|1,1,0]=4 640 B8R1.52 NCC1(O)CCCC1 CS15390 [0,2,0,0,0,0|0,1,0]=3 641 B8R1.52 NCC1(O)CCCC1 MC31148 [0,2,0,0,0,0|0,1,0]=3 642 B8R1.52 OC1(CF)CCNC1 MC101973 [0,2,0,0,0,0|1,1,0]=4 643 B8R1.52 OCC1(F)CCCC1 MC443810 [0,2,0,0,0,0|0,1,0]=3 644 B8R1.52 OCC1(O)CCNC1 MC104779 [0,2,0,0,0,0|1,1,0]=4 645 B8R1.18 CC1CC(S)C(C)O1 MC115503 [0,2,0,0,0,0|1,0,0]=3 646 B8R1.51 CC1(O)CCC(N)C1 MC104923 [0,2,0,0,0,0|0,1,0]=3 647 B8R1.51 NC1CCC(F)(F)C1 MC102031 [0,2,0,0,0,0|1,0,0]=3 648 B8R1.51 NC1CCC(F)(F)C1 MC103658 [0,2,0,0,0,0|1,0,0]=3 649 B8R1.51 NC1CCC(F)(F)C1 MC103659 [0,2,0,0,0,0|1,0,0]=3 650 B8R1.51 NC1CCC(F)(F)C1 MC444204 [0,2,0,0,0,0|1,0,0]=3 651 B8R1.51 NC1CCS(=O)(=O)C1 CS22113 [0,2,0,0,0,0|1,1,0]=4 652 B8R1.51 O=S1(=O)CCC(O)C1 MC107294 [0,2,0,0,0,0|1,1,0]=4 653 B8R1.19 NC1CCCC1(F)F MC107609 [0,2,0,0,0,0|1,0,0]=3 654 B6R1.3 NCCC1CC1 MC425320 [0,0,1,1,0,0|2,0,0]=4 655 B6R1.3 OCCC1CC1 MC433884 [0,0,1,1,0,0|2,0,0]=4 656 B6R1.8 OCC1CC1F MC102847 [0,0,1,1,0,0|2,0,0]=4 657 B6R1.8 OCC1CC1F MC102848 [0,0,1,1,0,0|2,0,0]=4 658 B6R1.8 OCC1CC1F MC102849 [0,0,1,1,0,0|2,0,0]=4 659 B6R1.8 OCC1CC1F MC102850 [0,0,1,1,0,0|2,0,0]=4 660 B6R1.11 CC(I)C1CC1 MC429998 [0,0,1,1,0,0|1,0,0]=3 661 B6R1.11 CC(N)C1CC1 MC428207 [0,0,1,1,0,0|1,0,0]=3 662 B6R1.1 C1=CCSCC1 MC427366 [0,0,1,1,0,0|0,0,2]=4 663 B6R1.1 C1CCCCC1 MC41853 [0,0,1,1,0,0|1,0,0]=3 664 B6R1.1 C1CCNNC1 CS17893 [0,0,1,1,0,0|2,0,0]=4 665 B6R1.1 C1CC[NH2+]CC1 CS16333 [0,0,1,1,0,0|1,0,0]=3 666 B6R1.1 C1CNCCN1 MC41703 [0,0,1,1,0,0|2,0,0]=4 667 B6R1.1 C1COCCN1 MC20726 [0,0,1,1,0,0|1,1,0]=4 668 B6R1.1 C1CSCCN1 MC20759 [0,0,1,1,0,0|1,0,0]=3 669 B6R1.7 NC1(CF)CC1 MC107347 [0,0,1,1,0,0|2,0,0]=4 670 B6R1.7 NC1(CO)CC1 CS13349 [0,0,1,1,0,0|2,0,0]=4 671 B6R1.7 NC1(CO)CC1 MC113084 [0,0,1,1,0,0|2,0,0]=4 672 B6R1.7 NCC1(O)CC1 CS20441 [0,0,1,1,0,0|1,1,0]=4 673 B8R2.11 C12CNCC1C2O MC102023 [0,0,0,1,0,1|0,1,0]=3 674 B8R2.18 NC1CC2CC2C1 MC103540 [0,0,0,1,0,1|1,0,0]=3 675 B8R2.23 C1NCC2CC1C2 MC115688 [0,0,0,1,0,1|1,0,0]=3 676 B8R2.23 C1NCC2CC1O2 MC102903 [0,0,0,1,0,1|0,1,0]=3 677 B8R2.23 C1OCC2CC1N2 MC116488 [0,0,0,1,0,1|1,0,0]=3 678 B8R2.25 C1CC2CC2CN1 MC105241 [0,0,0,1,0,1|1,0,0]=3 679 B8R2.25 C1CC2OC2CO1 MC427300 [0,0,0,1,0,1|0,1,0]=3 680 B8R2.25 C1CCC2OC2C1 MC41785 [0,0,0,1,0,1|0,1,0]=3 681 B8R2.25 C1COC2CC2N1 MC106168 [0,0,0,1,0,1|2,0,0]=4 682 B8R2.34 C1=CC2CCC1C2 CS11805 [0,0,0,1,0,1|1,0,1]=4 683 B8R2.34 C1CC2CCC1N2 CS10780 [0,0,0,1,0,1|1,0,0]=3 684 B8R2.34 C1CC2CCC1N2 MC113036 [0,0,0,1,0,1|1,0,0]=3 685 B8R2.34 C1OC2CNC1C2 CS12565 [0,0,0,1,0,1|2,0,0]=4 686 B8R2.34 C1OC2CNC1C2 MC102221 [0,0,0,1,0,1|2,0,0]=4 687 B8R2.34 C1OC2CNC1C2 MC103903 [0,0,0,1,0,1|2,0,0]=4 688 B8R2.34 C1OC2CNC1C2 MC105588 [0,0,0,1,0,1|2,0,0]=4 689 B8R2.34 C1OC2CNC1C2 MC31167 [0,0,0,1,0,1|2,0,0]=4 690 B8R2.34 C1OC2CNC1C2 MC444007 [0,0,0,1,0,1|2,0,0]=4 691 B8R2.22 C1CC2CNCC12 MC103502 [0,1,0,1,0,0|2,0,0]=4 692 B8R2.22 C1CC2CNCC12 MC105043 [0,1,0,1,0,0|2,0,0]=4 693 B8R2.55 C1CC2(CC2)CN1 MC103447 [0,1,0,1,0,0|2,0,0]=4 694 B8R2.55 C1CNC2(C1)CC2 MC103449 [0,1,0,1,0,0|2,0,0]=4 695 B4R1.1 C1CNC1 CS14211 [1,0,0,0,1,0|1,0,0]=3 696 B4R1.1 C1CNC1 MC445038 [1,0,0,0,1,0|1,0,0]=3 697 B4R1.2 BrC1CC1 CS19063 [0,0,0,0,2,0|1,0,0]=3 698 B4R1.2 CC1CO1 MC428272 [0,0,0,0,2,0|2,0,0]=4 699 B4R1.2 OC1CC1 MC443565 [0,0,0,0,2,0|0,1,0]=3 700 B8R1.22 CC1CCNCCN1 MC104490 [0,0,0,0,0,2|1,0,0]=3 701 B8R1.22 FC1CCCNCC1 MC103919 [0,0,0,0,0,2|1,0,0]=3 702 B8R1.22 NC1CCCCNC1 CS18624 [0,0,0,0,0,2|1,0,0]=3 703 B8R1.22 NC1CCCCNC1 MC104803 [0,0,0,0,0,2|1,0,0]=3 704 B8R1.22 NC1CCCCNC1 MC425605 [0,0,0,0,0,2|1,0,0]=3 705 B8R1.22 O=C1CCCNCC1 CS19096 [0,0,0,0,0,2|0,1,1]=4 706 B8R1.22 O=C1CCNCCN1 CS18857 [0,0,0,0,0,2|0,1,1]=4 707 B8R1.22 O=C1CCSCCN1 MC121122 [0,0,0,0,0,2|0,1,1]=4 708 B8R1.22 O=S1CCCNCC1 MC100495 [0,0,0,0,0,2|1,1,0]=4