0 B6R1.2 BrC1=CSC=C1 CS21415 [0,0,0,0,0,0|1,0,3]=4 1 B6R1.2 BrC1=CSC=N1 MC20197 [0,0,0,0,0,0|2,0,2]=4 2 B6R1.2 BrC1=NSC=C1 CS11529 [0,0,0,0,0,0|2,0,2]=4 3 B6R1.2 BrC1CCNC1 CS15742 [0,0,0,0,0,0|2,0,1]=3 4 B6R1.2 BrC1CCOC1 CS14643 [0,0,0,0,0,0|1,1,1]=3 5 B6R1.2 CC1=CSC=N1 CS15621 [0,0,0,0,0,0|2,0,2]=4 6 B6R1.2 CC1=NCCC1 CS21664 [0,0,0,0,0,0|3,0,0]=3 7 B6R1.2 CC1CCCN1 CS18299 [0,0,0,0,0,0|3,0,1]=4 8 B6R1.2 CC1CCCN1 CS18800 [0,0,0,0,0,0|3,0,1]=4 9 B6R1.2 CC1CCCN1 CS19735 [0,0,0,0,0,0|3,0,1]=4 10 B6R1.2 CC1CCCN1 CS21699 [0,0,0,0,0,0|3,0,1]=4 11 B6R1.2 CC1CCCN1 CS21700 [0,0,0,0,0,0|3,0,1]=4 12 B6R1.2 CC1CCCN1 MC428345 [0,0,0,0,0,0|3,0,1]=4 13 B6R1.2 CC1CCCO1 MC20580 [0,0,0,0,0,0|3,0,1]=4 14 B6R1.2 ClC1=CSC=N1 CS14317 [0,0,0,0,0,0|2,0,2]=4 15 B6R1.2 FC1CCNC1 CS12894 [0,0,0,0,0,0|2,0,1]=3 16 B6R1.2 FC1CCNC1 CS14870 [0,0,0,0,0,0|2,0,1]=3 17 B6R1.2 FC1CCNC1 MC31003 [0,0,0,0,0,0|2,0,1]=3 18 B6R1.2 IC1=CSC=C1 CS22332 [0,0,0,0,0,0|1,0,3]=4 19 B6R1.2 IC1CCOC1 MC101926 [0,0,0,0,0,0|1,1,1]=3 20 B6R1.2 NC1=CSC=C1 CS12280 [0,0,0,0,0,0|1,0,3]=4 21 B6R1.2 NC1=CSC=N1 MC106910 [0,0,0,0,0,0|2,0,2]=4 22 B6R1.2 NC1=CSC=N1 MC121317 [0,0,0,0,0,0|2,0,2]=4 23 B6R1.2 NC1=NCCC1 CS19310 [0,0,0,0,0,0|3,0,0]=3 24 B6R1.2 NC1CC=CC1 CS19415 [0,0,0,0,0,0|2,0,2]=4 25 B6R1.2 NC1CCOC1 CS12010 [0,0,0,0,0,0|1,1,1]=3 26 B6R1.2 NC1CCOC1 CS13003 [0,0,0,0,0,0|1,1,1]=3 27 B6R1.2 NC1CCOC1 CS20366 [0,0,0,0,0,0|1,1,1]=3 28 B6R1.2 NC1CCOC1 MC443324 [0,0,0,0,0,0|1,1,1]=3 29 B6R1.2 NC1CCOC1 MC444237 [0,0,0,0,0,0|1,1,1]=3 30 B6R1.2 O=C1C=CNN1 MC106502 [0,0,0,0,0,0|2,0,2]=4 31 B6R1.2 O=C1C=CON1 MC442265 [0,0,0,0,0,0|1,1,2]=4 32 B6R1.2 O=C1C=CSN1 MC427073 [0,0,0,0,0,0|1,0,2]=3 33 B6R1.2 O=C1CC=NN1 CS20496 [0,0,0,0,0,0|2,0,1]=3 34 B6R1.2 O=C1CCCC1 MC21085 [0,0,0,0,0,0|1,0,0]=1 35 B6R1.2 O=C1CCNC1 CS22412 [0,0,0,0,0,0|1,0,0]=1 36 B6R1.2 O=C1CCOC1 CS18178 [0,0,0,0,0,0|0,1,0]=1 37 B6R1.2 O=C1CCSC1 MC20305 [0,0,0,0,0,0|0,0,0]=0 38 B6R1.2 O=C1CNCN1 CS15654 [0,0,0,0,0,0|2,0,0]=2 39 B6R1.2 O=C1NC=CN1 MC20853 [0,0,0,0,0,0|3,0,1]=4 40 B6R1.2 O=C1NCCN1 CS21607 [0,0,0,0,0,0|3,0,0]=3 41 B6R1.2 O=C1NCCS1 CS20525 [0,0,0,0,0,0|3,0,0]=3 42 B6R1.2 O=C1OCCO1 CS20012 [0,0,0,0,0,0|3,0,0]=3 43 B6R1.2 OC1CC=CC1 MC10342 [0,0,0,0,0,0|1,0,3]=4 44 B6R1.2 OC1CCNC1 CS16166 [0,0,0,0,0,0|1,0,2]=3 45 B6R1.2 OC1CCNC1 CS16635 [0,0,0,0,0,0|1,0,2]=3 46 B6R1.2 OC1CCNC1 CS16650 [0,0,0,0,0,0|1,0,2]=3 47 B6R1.2 OC1CCNC1 CS17407 [0,0,0,0,0,0|1,0,2]=3 48 B6R1.2 OC1CCNC1 CS21757 [0,0,0,0,0,0|1,0,2]=3 49 B6R1.2 OC1CCOC1 CS20284 [0,0,0,0,0,0|0,1,2]=3 50 B6R1.2 OC1CCOC1 MC42235 [0,0,0,0,0,0|0,1,2]=3 51 B6R1.2 OC1CCOC1 MC444279 [0,0,0,0,0,0|0,1,2]=3 52 B5R1.1 C1=CCNC1 MC10278 [1,0,0,0,0,0|1,0,1]=3 53 B5R1.1 C1=CSC=C1 MC41709 [1,0,0,0,0,0|0,0,3]=4 54 B5R1.1 C1=CSC=N1 MC425154 [1,0,0,0,0,0|1,0,2]=4 55 B5R1.1 C1=CSN=C1 MC20995 [1,0,0,0,0,0|1,0,2]=4 56 B5R1.1 C1CCNC1 MC41708 [1,0,0,0,0,0|1,0,1]=3 57 B5R1.1 C1CNNC1 CS16750 [1,0,0,0,0,0|2,0,1]=4 58 B7R1.1 BrCC1CCCC1 MC20145 [0,1,0,0,0,0|2,0,1]=4 59 B7R1.1 Br[Zn]C1CCCC1 MC121342 [0,1,0,0,0,0|2,0,1]=4 60 B7R1.1 C#CC1CCOC1 MC103679 [0,1,0,0,0,0|1,1,1]=4 61 B7R1.1 CNC1CCOC1 MC104966 [0,1,0,0,0,0|1,1,1]=4 62 B7R1.1 CNC1CCOC1 MC105597 [0,1,0,0,0,0|1,1,1]=4 63 B7R1.1 COC1=NCCC1 CS10423 [0,1,0,0,0,0|2,0,1]=4 64 B7R1.1 COC1CCNC1 CS12136 [0,1,0,0,0,0|1,0,2]=4 65 B7R1.1 COC1CCNC1 CS12137 [0,1,0,0,0,0|1,0,2]=4 66 B7R1.1 COC1CCNC1 CS22350 [0,1,0,0,0,0|1,0,2]=4 67 B7R1.1 FCC1CCNC1 MC103199 [0,1,0,0,0,0|2,0,1]=4 68 B7R1.1 N#CC1CCCC1 MC433761 [0,1,0,0,0,0|2,0,1]=4 69 B7R1.1 N#CC1CCOC1 MC103877 [0,1,0,0,0,0|1,1,1]=4 70 B7R1.1 N#CC1CCOC1 MC103878 [0,1,0,0,0,0|1,1,1]=4 71 B7R1.1 NCC1CCCC1 CS14873 [0,1,0,0,0,0|2,0,1]=4 72 B7R1.1 NCC1CCNC1 MC431426 [0,1,0,0,0,0|2,0,1]=4 73 B7R1.1 NCC1CCOC1 MC102307 [0,1,0,0,0,0|1,1,1]=4 74 B7R1.1 NCC1CCOC1 MC103862 [0,1,0,0,0,0|1,1,1]=4 75 B7R1.1 NCC1CCOC1 MC115675 [0,1,0,0,0,0|1,1,1]=4 76 B7R1.1 NCC1CCOC1 MC121256 [0,1,0,0,0,0|1,1,1]=4 77 B7R1.1 O=CC1=CCCC1 CS12865 [0,1,0,0,0,0|1,0,1]=3 78 B7R1.1 O=CC1=CSC=C1 CS14553 [0,1,0,0,0,0|0,0,3]=4 79 B7R1.1 O=CC1=CSC=N1 MC33021 [0,1,0,0,0,0|1,0,2]=4 80 B7R1.1 O=CC1CCCC1 MC21048 [0,1,0,0,0,0|1,0,1]=3 81 B7R1.1 OCC1CCCC1 CS11185 [0,1,0,0,0,0|1,0,2]=4 82 B7R1.1 OCC1CCNC1 CS11284 [0,1,0,0,0,0|1,0,2]=4 83 B7R1.1 OCC1CCNC1 CS16764 [0,1,0,0,0,0|1,0,2]=4 84 B7R1.1 OCC1CCNC1 CS18341 [0,1,0,0,0,0|1,0,2]=4 85 B7R1.1 OCC1CCNC1 MC102405 [0,1,0,0,0,0|1,0,2]=4 86 B7R1.1 OCC1CCNC1 MC115660 [0,1,0,0,0,0|1,0,2]=4 87 B7R1.1 OCC1CCOC1 MC113000 [0,1,0,0,0,0|0,1,2]=4 88 B7R1.1 OCC1CCOC1 MC113001 [0,1,0,0,0,0|0,1,2]=4 89 B7R1.1 OCC1CCOC1 MC427704 [0,1,0,0,0,0|0,1,2]=4 90 B7R1.2 CC1=CC(=O)CC1 CS22356 [0,1,0,0,0,0|1,0,1]=3 91 B7R1.2 CC1=CC(=O)CO1 MC429080 [0,1,0,0,0,0|0,1,2]=4 92 B7R1.2 CC1=NNC(=O)C1 CS16242 [0,1,0,0,0,0|2,0,1]=4 93 B7R1.2 CC1COC(=O)N1 CS14300 [0,1,0,0,0,0|3,0,0]=4 94 B7R1.2 CC1COC(=O)O1 MC428298 [0,1,0,0,0,0|3,0,0]=4 95 B7R1.2 CN1CCC(=O)C1 CS20760 [0,1,0,0,0,0|1,0,0]=2 96 B7R1.2 CN1CCC(N)C1 MC444033 [0,1,0,0,0,0|2,0,1]=4 97 B7R1.2 CN1CCC(N)C1 MC444055 [0,1,0,0,0,0|2,0,1]=4 98 B7R1.2 CN1CCC(N)C1 MC444130 [0,1,0,0,0,0|2,0,1]=4 99 B7R1.2 CN1CCC(O)C1 MC20690 [0,1,0,0,0,0|1,0,2]=4 100 B7R1.2 CN1CCC(O)C1 MC444062 [0,1,0,0,0,0|1,0,2]=4 101 B7R1.2 CN1CCC(O)C1 MC444273 [0,1,0,0,0,0|1,0,2]=4 102 B7R1.2 NC1=NCC(=O)N1 MC102809 [0,1,0,0,0,0|2,0,1]=4 103 B7R1.2 NC1=NNC(=O)C1 CS14532 [0,1,0,0,0,0|2,0,1]=4 104 B7R1.2 NC1CCC(O)C1 CS12946 [0,1,0,0,0,0|1,0,2]=4 105 B7R1.2 NC1CCC(O)C1 CS14798 [0,1,0,0,0,0|1,0,2]=4 106 B7R1.2 NC1CCC(O)C1 CS15869 [0,1,0,0,0,0|1,0,2]=4 107 B7R1.2 NC1CCC(O)C1 CS16172 [0,1,0,0,0,0|1,0,2]=4 108 B7R1.2 NC1CNC(=O)C1 MC103473 [0,1,0,0,0,0|2,0,0]=3 109 B7R1.2 NC1COC(=O)C1 CS14340 [0,1,0,0,0,0|2,0,0]=3 110 B7R1.2 NC1COC(=O)C1 CS14674 [0,1,0,0,0,0|2,0,0]=3 111 B7R1.2 O=C1C=C(Br)CN1 MC431199 [0,1,0,0,0,0|2,0,1]=4 112 B7R1.2 O=C1C=C(Br)CN1 MC431360 [0,1,0,0,0,0|2,0,1]=4 113 B7R1.2 O=C1CC(O)CN1 CS14706 [0,1,0,0,0,0|2,0,0]=3 114 B7R1.2 O=C1CC(O)CN1 CS16472 [0,1,0,0,0,0|2,0,0]=3 115 B7R1.2 O=C1CCC(=O)N1 MC41707 [0,1,0,0,0,0|2,0,0]=3 116 B7R1.2 O=C1CCC(I)C1 MC115016 [0,1,0,0,0,0|1,0,0]=2 117 B7R1.2 O=C1CNC(=O)C1 MC116520 [0,1,0,0,0,0|1,0,1]=3 118 B7R1.2 O=C1CNC(=S)N1 MC427395 [0,1,0,0,0,0|2,0,1]=4 119 B7R1.2 O=C1CSC(=O)N1 CS22526 [0,1,0,0,0,0|1,0,1]=3 120 B7R1.4 CC1COCC1N MC444024 [0,1,0,0,0,0|1,1,1]=4 121 B7R1.4 CC1OCCC1=O CS14135 [0,1,0,0,0,0|0,1,0]=2 122 B7R1.4 CN1CCCC1=O MC41699 [0,1,0,0,0,0|2,0,0]=3 123 B7R1.4 CN1N=CCC1=O CS15601 [0,1,0,0,0,0|2,0,1]=4 124 B7R1.4 NC1CCCC1O CS11147 [0,1,0,0,0,0|1,0,2]=4 125 B7R1.4 NC1CCCC1O CS15594 [0,1,0,0,0,0|1,0,2]=4 126 B7R1.4 NC1CCCC1O CS18884 [0,1,0,0,0,0|1,0,2]=4 127 B7R1.4 NC1CCCC1O CS19404 [0,1,0,0,0,0|1,0,2]=4 128 B7R1.4 NC1CCNC1=O MC107169 [0,1,0,0,0,0|2,0,0]=3 129 B7R1.4 NC1CCNC1=O MC115917 [0,1,0,0,0,0|2,0,0]=3 130 B7R1.4 NC1CCOC1=O CS18578 [0,1,0,0,0,0|2,0,0]=3 131 B7R1.4 NC1CCOC1=O MC439296 [0,1,0,0,0,0|2,0,0]=3 132 B7R1.4 NC1CCSC1=O MC428331 [0,1,0,0,0,0|2,0,0]=3 133 B7R1.4 NC1COCC1N MC101979 [0,1,0,0,0,0|1,1,1]=4 134 B7R1.4 NC1COCC1N MC101980 [0,1,0,0,0,0|1,1,1]=4 135 B7R1.4 NC1COCC1N MC103863 [0,1,0,0,0,0|1,1,1]=4 136 B7R1.4 NC1COCC1N MC113515 [0,1,0,0,0,0|1,1,1]=4 137 B7R1.4 NC1COCC1N MC444023 [0,1,0,0,0,0|1,1,1]=4 138 B7R1.4 NC1COCC1O MC105386 [0,1,0,0,0,0|0,1,2]=4 139 B7R1.4 NC1COCC1O MC105387 [0,1,0,0,0,0|0,1,2]=4 140 B7R1.4 NC1COCC1O MC431325 [0,1,0,0,0,0|0,1,2]=4 141 B7R1.4 NC1CONC1=O CS19264 [0,1,0,0,0,0|1,1,0]=3 142 B7R1.4 NC1CONC1=O CS22528 [0,1,0,0,0,0|1,1,0]=3 143 B7R1.4 NC1CONC1=O MC436879 [0,1,0,0,0,0|1,1,0]=3 144 B7R1.4 NN1CCOC1=O MC102926 [0,1,0,0,0,0|3,0,0]=4 145 B7R1.4 O=C1CCC=C1O CS14654 [0,1,0,0,0,0|1,0,1]=3 146 B7R1.4 O=C1CCCC1Br MC445112 [0,1,0,0,0,0|1,0,0]=2 147 B7R1.4 O=C1NCCC1O CS19486 [0,1,0,0,0,0|2,0,0]=3 148 B7R1.4 O=C1NCCC1O MC115910 [0,1,0,0,0,0|2,0,0]=3 149 B7R1.4 O=C1NCCC1O MC444274 [0,1,0,0,0,0|2,0,0]=3 150 B7R1.4 OC1CNCC1O CS20186 [0,1,0,0,0,0|1,0,2]=4 151 B7R1.4 OC1CNCC1O MC103857 [0,1,0,0,0,0|1,0,2]=4 152 B7R1.14 CC1(O)CCCC1 CS20768 [0,1,0,0,0,0|1,0,2]=4 153 B7R1.14 CC1(O)CCNC1 MC107172 [0,1,0,0,0,0|1,0,2]=4 154 B7R1.14 FC1(F)CCNC1 CS16398 [0,1,0,0,0,0|2,0,1]=4 155 B7R1.14 O=S1(=O)CCC=N1 MC103630 [0,1,0,0,0,0|3,0,0]=4 156 B5R0.1 C=C(C)CCBr CS14513 [0,0,1,0,0,0|2,0,0]=3 157 B5R0.1 CC#CC(=O)O MC20776 [0,0,1,0,0,0|2,0,1]=4 158 B5R0.1 CC(=O)\C=N\O CS11520 [0,0,1,0,0,0|1,1,1]=4 159 B5R0.1 CC(=O)\C=N\O CS18968 [0,0,1,0,0,0|1,1,1]=4 160 B5R0.1 CC(C)=CCBr MC41900 [0,0,1,0,0,0|2,0,1]=4 161 B5R0.1 CC(N)CCO CS14355 [0,0,1,0,0,0|1,1,1]=4 162 B5R0.1 CC(N)CCO CS14356 [0,0,1,0,0,0|1,1,1]=4 163 B5R0.1 CC(N)CCO CS22096 [0,0,1,0,0,0|1,1,1]=4 164 B5R0.1 CCCC(C)=O CS21731 [0,0,1,0,0,0|1,0,0]=2 165 B5R0.1 CCC[N+](=O)[O-] MC428297 [0,0,1,0,0,0|3,0,0]=4 166 B5R0.1 CN(C)CCBr CS10949 [0,0,1,0,0,0|3,0,0]=4 167 B5R0.1 CN(C)CCCl CS14471 [0,0,1,0,0,0|3,0,0]=4 168 B5R0.1 CN(C)CCCl CS17225 [0,0,1,0,0,0|3,0,0]=4 169 B5R0.1 CN(C)CCN CS18603 [0,0,1,0,0,0|3,0,0]=4 170 B5R0.1 CN(C)CCO CS11733 [0,0,1,0,0,0|2,1,0]=4 171 B5R0.1 CNCC(=O)O CS18595 [0,0,1,0,0,0|2,0,0]=3 172 B5R0.1 CNCC(N)=O MC438151 [0,0,1,0,0,0|2,0,0]=3 173 B5R0.1 COCC(=O)Cl MC40491 [0,0,1,0,0,0|1,1,0]=3 174 B5R0.1 COCC(=O)O CS11579 [0,0,1,0,0,0|1,1,0]=3 175 B5R0.1 COCC(C)N CS15401 [0,0,1,0,0,0|1,1,1]=4 176 B5R0.1 COCC(C)O CS20249 [0,0,1,0,0,0|0,1,2]=4 177 B5R0.1 COCC(C)O CS20309 [0,0,1,0,0,0|0,1,2]=4 178 B5R0.1 COCC(C)O CS20741 [0,0,1,0,0,0|0,1,2]=4 179 B5R0.1 COCC(N)=O MC41924 [0,0,1,0,0,0|1,1,0]=3 180 B5R0.1 COCC(N)=S MC102255 [0,0,1,0,0,0|1,2,0]=4 181 B5R0.1 CSCC(=O)Cl MC106201 [0,0,1,0,0,0|1,0,0]=2 182 B5R0.1 CSCC(N)=O CS12608 [0,0,1,0,0,0|1,0,0]=2 183 B5R0.1 C\C=C\C(=O)O MC41882 [0,0,1,0,0,0|2,0,1]=4 184 B5R0.1 N#CCC(=O)O MC41881 [0,0,1,0,0,0|2,0,1]=4 185 B5R0.1 N#CCC(N)=O CS18594 [0,0,1,0,0,0|2,0,1]=4 186 B5R0.1 NCCC(=O)O CS13499 [0,0,1,0,0,0|2,0,0]=3 187 B5R0.1 NCCC(N)=O MC436150 [0,0,1,0,0,0|2,0,0]=3 188 B5R0.1 O=C(O)CCO MC20638 [0,0,1,0,0,0|1,1,0]=3 189 B5R0.2 C=CCCON MC110761 [0,0,1,0,0,0|2,1,0]=4 190 B5R0.2 C=CCC[Zn]Br MC121337 [0,0,1,0,0,0|3,0,0]=4 191 B5R0.2 CCCCCBr CS20657 [0,0,1,0,0,0|2,0,1]=4 192 B5R0.2 CCCC[Zn]Br MC121334 [0,0,1,0,0,0|3,0,0]=4 193 B5R0.2 CCOCCBr CS21396 [0,0,1,0,0,0|1,1,1]=4 194 B5R0.2 CCOCCCl MC428008 [0,0,1,0,0,0|1,1,1]=4 195 B5R0.2 CNCCC#N CS22369 [0,0,1,0,0,0|2,0,1]=4 196 B5R0.2 CNCCCO CS14200 [0,0,1,0,0,0|1,0,2]=4 197 B5R0.2 CNCCNC CS15116 [0,0,1,0,0,0|3,0,0]=4 198 B5R0.2 CNCCOC MC427349 [0,0,1,0,0,0|2,1,0]=4 199 B5R0.2 COCCC#N CS22345 [0,0,1,0,0,0|1,1,1]=4 200 B5R0.2 COCCCBr CS20649 [0,0,1,0,0,0|1,1,1]=4 201 B5R0.2 COCCCO CS20039 [0,0,1,0,0,0|0,1,2]=4 202 B5R0.2 COCCNN MC103229 [0,0,1,0,0,0|2,1,0]=4 203 B5R0.2 COCCNN MC107041 [0,0,1,0,0,0|2,1,0]=4 204 B5R0.2 COCCOC MC41899 [0,0,1,0,0,0|2,1,0]=4 205 B5R0.2 COCCOC MC445008 [0,0,1,0,0,0|2,1,0]=4 206 B5R0.3 C=C(CO)CO CS21689 [0,0,1,0,0,0|2,1,0]=4 207 B5R0.3 CCC(N)CO CS15119 [0,0,1,0,0,0|1,1,1]=4 208 B5R0.3 CCC(N)CO MC10528 [0,0,1,0,0,0|1,1,1]=4 209 B5R0.3 CCC(N)CO MC20718 [0,0,1,0,0,0|1,1,1]=4 210 B5R0.3 CCC(N)CO MC436159 [0,0,1,0,0,0|1,1,1]=4 211 B5R0.3 CCC(O)CO CS15622 [0,0,1,0,0,0|0,1,2]=4 212 B5R0.3 CNC(=O)CCl MC21094 [0,0,1,0,0,0|2,0,0]=3 213 B5R0.3 CNC(=O)CN MC437710 [0,0,1,0,0,0|2,0,0]=3 214 B5R0.3 COC(=O)CN CS15045 [0,0,1,0,0,0|2,0,0]=3 215 B5R0.3 COC(=O)CO CS19433 [0,0,1,0,0,0|1,1,0]=3 216 B5R0.3 COC(=O)CS MC20578 [0,0,1,0,0,0|1,0,0]=2 217 B5R0.3 COC(=O)NN MC20825 [0,0,1,0,0,0|3,0,0]=4 218 B5R0.3 O=C(CO)CO CS11245 [0,0,1,0,0,0|1,1,0]=3 219 B5R0.3 O=CC(=O)CO MC427604 [0,0,1,0,0,0|1,1,1]=4 220 B7R2.11 C1NC2CC1C2 MC102501 [0,0,0,1,0,0|2,0,1]=4 221 B7R2.13 C1CC2CC2N1 MC105462 [0,0,0,1,0,0|2,0,1]=4 222 B7R2.13 C1CC2CC2N1 MC121378 [0,0,0,1,0,0|2,0,1]=4 223 B7R2.13 C1NCC2CC12 MC104429 [0,0,0,1,0,0|2,0,1]=4 224 B7R2.13 C1NCC2CC12 MC425327 [0,0,0,1,0,0|2,0,1]=4 225 B5R1.2 BrC1CNC1 MC444255 [0,0,0,0,1,0|2,0,1]=4 226 B5R1.2 BrC1COC1 MC425330 [0,0,0,0,1,0|1,1,1]=4 227 B5R1.2 CC1CNC1 CS13089 [0,0,0,0,1,0|2,0,1]=4 228 B5R1.2 ClC1CNC1 MC444320 [0,0,0,0,1,0|2,0,1]=4 229 B5R1.2 FC1CNC1 CS22297 [0,0,0,0,1,0|2,0,1]=4 230 B5R1.2 FC1COC1 MC113065 [0,0,0,0,1,0|1,1,1]=4 231 B5R1.2 IC1CNC1 MC444286 [0,0,0,0,1,0|2,0,1]=4 232 B5R1.2 IC1COC1 MC10503 [0,0,0,0,1,0|1,1,1]=4 233 B5R1.2 NC1COC1 CS22388 [0,0,0,0,1,0|1,1,1]=4 234 B5R1.2 NC1COC1 MC425332 [0,0,0,0,1,0|1,1,1]=4 235 B5R1.2 NC1CSC1 MC102176 [0,0,0,0,1,0|1,0,1]=3 236 B5R1.2 NC1CSC1 MC115657 [0,0,0,0,1,0|1,0,1]=3 237 B5R1.2 O=C1CCC1 MC10479 [0,0,0,0,1,0|0,0,0]=1 238 B5R1.2 O=C1CCN1 MC31231 [0,0,0,0,1,0|1,0,0]=2 239 B5R1.2 O=C1CNC1 MC444241 [0,0,0,0,1,0|1,0,0]=2 240 B5R1.2 O=C1COC1 CS22391 [0,0,0,0,1,0|0,1,0]=2 241 B5R1.2 O=C1CSC1 CS13345 [0,0,0,0,1,0|0,0,0]=1 242 B5R1.2 OC1CCC1 CS11176 [0,0,0,0,1,0|0,0,2]=3 243 B5R1.2 OC1CNC1 CS14687 [0,0,0,0,1,0|1,0,2]=4 244 B5R1.2 OC1COC1 CS19329 [0,0,0,0,1,0|0,1,2]=4 245 B5R1.2 SC1COC1 MC101966 [0,0,0,0,1,0|0,2,1]=4 246 B7R1.3 BrC1CCCCC1 CS11079 [0,0,0,0,0,1|2,0,1]=4 247 B7R1.3 BrC1CCNCC1 CS18356 [0,0,0,0,0,1|2,0,1]=4 248 B7R1.3 BrC1CCOCC1 CS18193 [0,0,0,0,0,1|1,1,1]=4 249 B7R1.3 CC1CCCCN1 MC20418 [0,0,0,0,0,1|2,0,1]=4 250 B7R1.3 CC1CCCNC1 CS16133 [0,0,0,0,0,1|2,0,1]=4 251 B7R1.3 CC1CCCNC1 MC425227 [0,0,0,0,0,1|2,0,1]=4 252 B7R1.3 CC1CNCCN1 CS13503 [0,0,0,0,0,1|2,0,1]=4 253 B7R1.3 CC1CNCCN1 CS17164 [0,0,0,0,0,1|2,0,1]=4 254 B7R1.3 CC1CNCCN1 CS17167 [0,0,0,0,0,1|2,0,1]=4 255 B7R1.3 CC1CNCCO1 CS14515 [0,0,0,0,0,1|2,0,1]=4 256 B7R1.3 CC1CNCCO1 CS14521 [0,0,0,0,0,1|2,0,1]=4 257 B7R1.3 CC1CNCCO1 CS19299 [0,0,0,0,0,1|2,0,1]=4 258 B7R1.3 CC1CNCCO1 CS21692 [0,0,0,0,0,1|2,0,1]=4 259 B7R1.3 CC1CNCCO1 MC444038 [0,0,0,0,0,1|2,0,1]=4 260 B7R1.3 CC1CNCCO1 MC444192 [0,0,0,0,0,1|2,0,1]=4 261 B7R1.3 CC1COCCN1 CS14856 [0,0,0,0,0,1|1,1,1]=4 262 B7R1.3 CC1COCCN1 CS20285 [0,0,0,0,0,1|1,1,1]=4 263 B7R1.3 CC1COCCN1 CS22371 [0,0,0,0,0,1|1,1,1]=4 264 B7R1.3 CC1COCCN1 CS22413 [0,0,0,0,0,1|1,1,1]=4 265 B7R1.3 CC1COCCN1 MC20820 [0,0,0,0,0,1|1,1,1]=4 266 B7R1.3 CN1CC=CCC1 CS20742 [0,0,0,0,0,1|3,0,0]=4 267 B7R1.3 CN1CCNCC1 MC20458 [0,0,0,0,0,1|3,0,0]=4 268 B7R1.3 ClC1CCNCC1 CS16938 [0,0,0,0,0,1|2,0,1]=4 269 B7R1.3 FC1CCCNC1 MC101908 [0,0,0,0,0,1|2,0,1]=4 270 B7R1.3 FC1CCCNC1 MC101918 [0,0,0,0,0,1|2,0,1]=4 271 B7R1.3 FC1CCCNC1 MC444270 [0,0,0,0,0,1|2,0,1]=4 272 B7R1.3 FC1CCNCC1 CS22845 [0,0,0,0,0,1|2,0,1]=4 273 B7R1.3 IC1CCOCC1 CS18194 [0,0,0,0,0,1|1,1,1]=4 274 B7R1.3 NC1CCCNC1 CS17178 [0,0,0,0,0,1|2,0,1]=4 275 B7R1.3 NC1CCCNC1 CS17182 [0,0,0,0,0,1|2,0,1]=4 276 B7R1.3 NC1CCCNC1 CS22655 [0,0,0,0,0,1|2,0,1]=4 277 B7R1.3 NC1CCOCC1 CS16997 [0,0,0,0,0,1|1,1,1]=4 278 B7R1.3 NC1CCOCC1 CS18985 [0,0,0,0,0,1|1,1,1]=4 279 B7R1.3 O=C1C=CCCC1 MC41883 [0,0,0,0,0,1|1,0,1]=3 280 B7R1.3 O=C1C=CCCN1 CS15771 [0,0,0,0,0,1|1,0,1]=3 281 B7R1.3 O=C1C=CCOC1 CS17023 [0,0,0,0,0,1|0,1,1]=3 282 B7R1.3 O=C1CCCCN1 MC429045 [0,0,0,0,0,1|1,0,0]=2 283 B7R1.3 O=C1CCCCO1 CS11208 [0,0,0,0,0,1|1,0,0]=2 284 B7R1.3 O=C1CCCNC1 CS14768 [0,0,0,0,0,1|1,0,0]=2 285 B7R1.3 O=C1CCCNC1 CS17767 [0,0,0,0,0,1|1,0,0]=2 286 B7R1.3 O=C1CCCOC1 MC31097 [0,0,0,0,0,1|0,1,0]=2 287 B7R1.3 O=C1CCNCC1 CS22790 [0,0,0,0,0,1|1,0,0]=2 288 B7R1.3 O=C1CCOCC1 CS13380 [0,0,0,0,0,1|0,1,0]=2 289 B7R1.3 O=C1CCSCC1 CS18797 [0,0,0,0,0,1|0,0,0]=1 290 B7R1.3 O=C1CNCCN1 CS19142 [0,0,0,0,0,1|1,0,0]=2 291 B7R1.3 O=C1CNCCO1 MC441004 [0,0,0,0,0,1|1,0,0]=2 292 B7R1.3 O=C1COCCN1 CS11697 [0,0,0,0,0,1|0,1,0]=2 293 B7R1.3 O=C1COCCO1 MC20725 [0,0,0,0,0,1|0,1,0]=2 294 B7R1.3 OC1CCCNC1 CS17016 [0,0,0,0,0,1|1,0,2]=4 295 B7R1.3 OC1CCCNC1 CS17020 [0,0,0,0,0,1|1,0,2]=4 296 B7R1.3 OC1CCCNC1 CS22642 [0,0,0,0,0,1|1,0,2]=4 297 B7R1.3 OC1CCCOC1 CS17782 [0,0,0,0,0,1|0,1,2]=4 298 B7R1.3 OC1CCNCC1 CS14900 [0,0,0,0,0,1|1,0,2]=4 299 B7R1.3 OC1CCNCC1 CS22643 [0,0,0,0,0,1|1,0,2]=4 300 B7R1.3 OC1CCOCC1 CS13929 [0,0,0,0,0,1|0,1,2]=4 301 B7R1.3 OC1CCSCC1 CS12012 [0,0,0,0,0,1|0,0,2]=3 302 B7R1.3 SC1CCCNC1 MC105166 [0,0,0,0,0,1|1,1,1]=4 303 B7R1.3 SC1CCOCC1 MC107026 [0,0,0,0,0,1|0,2,1]=4 304 B4R0.1 CC(=O)CBr MC20986 [1,0,1,0,0,0|1,0,0]=3 305 B4R0.1 CC(=O)CN CS10921 [1,0,1,0,0,0|1,0,0]=3 306 B4R0.1 CC(=O)CO CS11467 [1,0,1,0,0,0|0,1,0]=3 307 B4R0.1 CC(=O)NN CS10881 [1,0,1,0,0,0|2,0,0]=4 308 B4R0.1 CC(=O)NO CS14961 [1,0,1,0,0,0|1,1,0]=4 309 B4R0.1 CCC(C)O MC10786 [1,0,1,0,0,0|0,0,2]=4 310 B4R0.1 CCC(N)=O CS11886 [1,0,1,0,0,0|1,0,0]=3 311 B4R0.1 CNC(N)=O MC10792 [1,0,1,0,0,0|2,0,0]=4 312 B4R0.1 COC(N)=O CS11667 [1,0,1,0,0,0|1,1,0]=4 313 B4R0.1 CSC(=N)N MC41956 [1,0,1,0,0,0|2,0,0]=4 314 B4R0.1 C\C=C(/C)Br MC10255 [1,0,1,0,0,0|1,0,1]=4 315 B4R0.1 NC(=O)CBr CS21389 [1,0,1,0,0,0|2,0,0]=4 316 B4R0.1 NCC(=O)O CS19951 [1,0,1,0,0,0|1,1,0]=4 317 B4R0.1 NCC(=O)[O-] CS10910 [1,0,1,0,0,0|1,1,0]=4 318 B4R0.1 NCC(=O)[O-] MC20522 [1,0,1,0,0,0|1,1,0]=4 319 B4R0.1 NCC(N)=O CS13806 [1,0,1,0,0,0|2,0,0]=4 320 B4R0.1 NCC(N)=O MC437712 [1,0,1,0,0,0|2,0,0]=4 321 B4R0.1 O=C(Cl)CBr MC21000 [1,0,1,0,0,0|2,0,0]=4 322 B4R0.1 O=C(O)CCl MC41871 [1,0,1,0,0,0|1,1,0]=4 323 B4R0.1 O=C(O)CO CS19334 [1,0,1,0,0,0|1,1,0]=4 324 B4R0.1 O=C([O-])CCl MC41872 [1,0,1,0,0,0|1,1,0]=4 325 B4R0.2 C=COCC MC41915 [1,0,1,0,0,0|0,1,1]=4 326 B4R0.2 CCCC=O MC41868 [1,0,1,0,0,0|0,0,0]=2 327 B4R0.2 CCCCO MC41869 [1,0,1,0,0,0|0,0,2]=4 328 B4R0.2 CCC[Zn]Br MC121348 [1,0,1,0,0,0|2,0,0]=4 329 B4R0.2 CCNCC CS11240 [1,0,1,0,0,0|1,0,1]=4 330 B4R0.2 CCOC=N MC33024 [1,0,1,0,0,0|1,1,0]=4 331 B4R0.2 CCOC=O MC41912 [1,0,1,0,0,0|0,1,0]=3 332 B4R0.2 CCOCC MC41960 [1,0,1,0,0,0|0,1,1]=4 333 B4R0.2 CC[Zn]CC MC10752 [1,0,1,0,0,0|1,0,1]=4 334 B4R0.2 CNCCO CS20910 [1,0,1,0,0,0|1,0,1]=4 335 B4R0.2 COCCCl MC428007 [1,0,1,0,0,0|1,1,0]=4 336 B4R0.2 C\C=C\C=O MC41879 [1,0,1,0,0,0|0,0,2]=4 337 B4R0.2 NCCCS MC428180 [1,0,1,0,0,0|1,0,1]=4 338 B4R0.2 [NH3+]CCCS MC428140 [1,0,1,0,0,0|1,0,1]=4 339 B6R0.1 CCCC(=O)NN CS22544 [0,1,1,0,0,0|2,0,0]=4 340 B6R0.1 CCNC(=O)NC MC428152 [0,1,1,0,0,0|2,0,0]=4 341 B6R0.1 CCOC(=O)CBr MC41907 [0,1,1,0,0,0|2,0,0]=4 342 B6R0.1 CCOC(=O)CCl MC41910 [0,1,1,0,0,0|2,0,0]=4 343 B6R0.1 CCOC(=O)CN CS15347 [0,1,1,0,0,0|2,0,0]=4 344 B6R0.1 CCOC(=O)CO CS11386 [0,1,1,0,0,0|2,0,0]=4 345 B6R0.1 CNC(=O)CC#N CS18404 [0,1,1,0,0,0|1,0,1]=4 346 B6R0.1 CNC(=O)CCN MC112263 [0,1,1,0,0,0|1,0,0]=3 347 B6R0.1 CNCC(=O)OC MC438154 [0,1,1,0,0,0|1,0,0]=3 348 B6R0.1 COC(=O)CC#N MC428339 [0,1,1,0,0,0|1,0,1]=4 349 B6R0.1 COC(=O)CCBr CS18993 [0,1,1,0,0,0|1,0,0]=3 350 B6R0.1 COC(=O)CCN CS22266 [0,1,1,0,0,0|1,0,0]=3 351 B6R0.1 COCC(=O)NN CS11580 [0,1,1,0,0,0|1,1,0]=4 352 B6R0.1 C\C=C\C(=O)OC MC41953 [0,1,1,0,0,0|1,0,1]=4 353 B6R0.1 O=C(CCl)NCO CS14580 [0,1,1,0,0,0|1,1,0]=4 354 B6R0.2 CC(=O)\C=C(/C)N MC105899 [0,1,1,0,0,0|1,0,1]=4 355 B6R0.2 CC(Br)CC(=O)O MC106689 [0,1,1,0,0,0|2,0,0]=4 356 B6R0.2 CC(N)CC(=O)O CS19028 [0,1,1,0,0,0|2,0,0]=4 357 B6R0.2 CC(N)CC(=O)O CS20346 [0,1,1,0,0,0|2,0,0]=4 358 B6R0.2 CC(N)CC(=O)O MC439098 [0,1,1,0,0,0|2,0,0]=4 359 B6R0.2 CC(O)CC(=O)O MC426020 [0,1,1,0,0,0|1,1,0]=4 360 B6R0.2 CC(O)CC(=O)O MC426021 [0,1,1,0,0,0|1,1,0]=4 361 B6R0.2 CC(O)CC(=O)[O-] CS20253 [0,1,1,0,0,0|1,1,0]=4 362 B6R0.2 CN(C)CC(=O)O CS13413 [0,1,1,0,0,0|2,0,0]=4 363 B6R0.2 NC([SeH])CC(=O)O MC435590 [0,1,1,0,0,0|1,1,0]=4 364 B6R0.2 NC([SeH])CC(=O)O MC435591 [0,1,1,0,0,0|1,1,0]=4 365 B6R0.3 CC(CN)C(=O)O MC105846 [0,1,1,0,0,0|2,0,0]=4 366 B6R0.3 CC(CN)C(=O)O MC105847 [0,1,1,0,0,0|2,0,0]=4 367 B6R0.3 CCC(Br)C(=O)O MC426015 [0,1,1,0,0,0|2,0,0]=4 368 B6R0.3 CCC(Cl)C(=O)O MC426016 [0,1,1,0,0,0|2,0,0]=4 369 B6R0.3 CCC(N)C(=O)O CS13661 [0,1,1,0,0,0|2,0,0]=4 370 B6R0.3 CCC(N)C(=O)O CS14054 [0,1,1,0,0,0|2,0,0]=4 371 B6R0.3 CCC(N)C(=O)O CS14084 [0,1,1,0,0,0|2,0,0]=4 372 B6R0.3 CCC(N)C(N)=O CS15891 [0,1,1,0,0,0|2,0,0]=4 373 B6R0.3 CCC(N)C(N)=O MC436006 [0,1,1,0,0,0|2,0,0]=4 374 B6R0.3 CNC(C)C(=O)O MC428068 [0,1,1,0,0,0|2,0,0]=4 375 B6R0.3 CNC(C)C(=O)O MC428076 [0,1,1,0,0,0|2,0,0]=4 376 B6R0.3 CNC(C)C(=O)O MC428084 [0,1,1,0,0,0|2,0,0]=4 377 B6R0.3 COC(C)C(=O)O CS14024 [0,1,1,0,0,0|1,1,0]=4 378 B6R0.3 COC(C)C(=O)O MC425243 [0,1,1,0,0,0|1,1,0]=4 379 B6R0.3 CON(C)C(C)=O CS11789 [0,1,1,0,0,0|1,1,0]=4 380 B6R0.3 NC(=O)C(N)CO MC438160 [0,1,1,0,0,0|1,1,0]=4 381 B6R0.3 NC(CCl)C(=O)O MC436849 [0,1,1,0,0,0|2,0,0]=4 382 B6R0.3 NC(CCl)C(=O)O MC436850 [0,1,1,0,0,0|2,0,0]=4 383 B6R0.3 NC(CCl)C(=O)O MC436851 [0,1,1,0,0,0|2,0,0]=4 384 B6R0.3 NC(CCl)C(=O)O MC436852 [0,1,1,0,0,0|2,0,0]=4 385 B6R0.3 NC(CF)C(=O)O MC437009 [0,1,1,0,0,0|2,0,0]=4 386 B6R0.3 NC(CO)C(=O)O CS14731 [0,1,1,0,0,0|1,1,0]=4 387 B6R0.3 NC(CO)C(=O)O CS18949 [0,1,1,0,0,0|1,1,0]=4 388 B6R0.3 NC(CO)C(=O)O CS19144 [0,1,1,0,0,0|1,1,0]=4 389 B6R0.3 NC(CS)C(=O)O CS19113 [0,1,1,0,0,0|1,0,0]=3 390 B6R0.3 NC(CS)C(=O)O CS19417 [0,1,1,0,0,0|1,0,0]=3 391 B6R0.3 NC(CS)C(=O)O CS19655 [0,1,1,0,0,0|1,0,0]=3 392 B6R0.3 NC(CS)C(=O)O MC428046 [0,1,1,0,0,0|1,0,0]=3 393 B6R0.3 NC(CS)C(=O)O MC436887 [0,1,1,0,0,0|1,0,0]=3 394 B6R0.3 NC(CS)C(=O)O MC436888 [0,1,1,0,0,0|1,0,0]=3 395 B6R0.3 NC(CS)C(=O)O MC439001 [0,1,1,0,0,0|1,0,0]=3 396 B6R0.3 NC(C[SeH])C(=O)O MC435423 [0,1,1,0,0,0|1,1,0]=4 397 B6R0.3 NCC(N)C(=O)O CS14756 [0,1,1,0,0,0|2,0,0]=4 398 B6R0.3 NCC(N)C(=O)O CS19624 [0,1,1,0,0,0|2,0,0]=4 399 B6R0.3 NCC(N)C(=O)O CS19672 [0,1,1,0,0,0|2,0,0]=4 400 B6R0.3 NCC(O)C(=O)O CS20294 [0,1,1,0,0,0|2,0,0]=4 401 B6R0.3 NCC(O)C(=O)O MC437816 [0,1,1,0,0,0|2,0,0]=4 402 B6R0.3 O=C(O)C(Br)CBr CS15215 [0,1,1,0,0,0|2,0,0]=4 403 B6R0.3 O=C(O)C(O)CCl MC10790 [0,1,1,0,0,0|2,0,0]=4 404 B6R0.4 C#CCCC(=O)Cl MC106035 [0,1,1,0,0,0|2,0,0]=4 405 B6R0.4 C#CCCC(=O)O MC428029 [0,1,1,0,0,0|2,0,0]=4 406 B6R0.4 C#CCCC(N)=O MC106194 [0,1,1,0,0,0|2,0,0]=4 407 B6R0.4 C=CCCC(=O)O CS15216 [0,1,1,0,0,0|2,0,0]=4 408 B6R0.4 CC(=O)CCCBr CS10305 [0,1,1,0,0,0|1,0,0]=3 409 B6R0.4 CC(=O)CCCCl CS10334 [0,1,1,0,0,0|1,0,0]=3 410 B6R0.4 CC(=O)NCCCl MC33011 [0,1,1,0,0,0|1,0,0]=3 411 B6R0.4 CCCCC(=O)Cl MC40508 [0,1,1,0,0,0|2,0,0]=4 412 B6R0.4 CO\C=C\C(C)=O MC33352 [0,1,1,0,0,0|0,1,1]=4 413 B6R0.4 N#CCCC(=O)O CS22262 [0,1,1,0,0,0|2,0,0]=4 414 B6R0.4 NCCCC(=O)O CS14998 [0,1,1,0,0,0|2,0,0]=4 415 B6R0.4 NCCCC(N)=O MC112262 [0,1,1,0,0,0|2,0,0]=4 416 B6R0.4 O=C(Cl)CCCCl MC40450 [0,1,1,0,0,0|2,0,0]=4 417 B6R0.4 O=C(O)CCCBr CS14053 [0,1,1,0,0,0|2,0,0]=4 418 B6R0.5 CS(=O)(=O)CCN CS21301 [0,1,1,0,0,0|2,0,0]=4 419 B6R0.6 C=CCCCCCl MC427568 [0,1,1,0,0,0|2,0,0]=4 420 B6R0.6 C=CCCCCN MC111853 [0,1,1,0,0,0|2,0,0]=4 421 B6R0.6 C=CCCCCO CS10397 [0,1,1,0,0,0|2,0,0]=4 422 B6R0.6 COCCCC=O MC111975 [0,1,1,0,0,0|0,1,0]=3 423 B6R1.4 CC1COC1=O MC121237 [0,1,0,0,1,0|0,1,0]=3 424 B6R1.4 NC1CCC1O MC111877 [0,1,0,0,1,0|0,0,2]=4 425 B6R1.5 CC1CC(N)C1 MC105778 [0,1,0,0,1,0|1,0,1]=4 426 B6R1.5 CN1CC(N)C1 MC444125 [0,1,0,0,1,0|2,0,0]=4 427 B6R1.5 CN1CC(O)C1 MC444271 [0,1,0,0,1,0|2,0,0]=4 428 B6R1.5 CN1CC(O)C1 MC444272 [0,1,0,0,1,0|2,0,0]=4 429 B6R1.5 NC1CC(=O)C1 MC444232 [0,1,0,0,1,0|0,0,0]=2 430 B6R1.5 NC1CC(F)C1 MC101921 [0,1,0,0,1,0|1,0,1]=4 431 B6R1.5 NC1CC(F)C1 MC104866 [0,1,0,0,1,0|1,0,1]=4 432 B6R1.5 NC1CC(F)C1 MC104867 [0,1,0,0,1,0|1,0,1]=4 433 B6R1.5 NC1CC(F)C1 MC112996 [0,1,0,0,1,0|1,0,1]=4 434 B6R1.5 NC1CC(F)C1 MC115644 [0,1,0,0,1,0|1,0,1]=4 435 B6R1.5 NC1CC(F)C1 MC444599 [0,1,0,0,1,0|1,0,1]=4 436 B6R1.5 NC1CC(N)C1 MC103595 [0,1,0,0,1,0|1,0,1]=4 437 B6R1.5 NC1CC(N)C1 MC103596 [0,1,0,0,1,0|1,0,1]=4 438 B6R1.5 NC1CC(N)C1 MC103597 [0,1,0,0,1,0|1,0,1]=4 439 B6R1.5 NC1CC(N)C1 MC103598 [0,1,0,0,1,0|1,0,1]=4 440 B6R1.5 NC1CC(N)C1 MC104654 [0,1,0,0,1,0|1,0,1]=4 441 B6R1.5 NC1CC(O)C1 MC105248 [0,1,0,0,1,0|0,0,2]=4 442 B6R1.5 NC1CC(O)C1 MC105286 [0,1,0,0,1,0|0,0,2]=4 443 B6R1.5 NC1CC(O)C1 MC444231 [0,1,0,0,1,0|0,0,2]=4 444 B6R1.5 NC1CC(O)C1 MC444480 [0,1,0,0,1,0|0,0,2]=4 445 B6R1.5 NC1CC(O)C1 MC444598 [0,1,0,0,1,0|0,0,2]=4 446 B6R1.5 O=C1CC(F)C1 MC104154 [0,1,0,0,1,0|0,0,0]=2 447 B6R1.5 OC1CC(F)C1 MC103711 [0,1,0,0,1,0|0,0,2]=4 448 B6R1.5 OC1CC(F)C1 MC104375 [0,1,0,0,1,0|0,0,2]=4 449 B6R1.5 OC1CC(F)C1 MC104868 [0,1,0,0,1,0|0,0,2]=4 450 B6R1.6 BrCC1CCC1 MC10470 [0,1,0,0,1,0|1,0,1]=4 451 B6R1.6 Cl[Zn]C1CCC1 MC121327 [0,1,0,0,1,0|1,0,1]=4 452 B6R1.6 NCC1CCC1 CS11178 [0,1,0,0,1,0|1,0,1]=4 453 B6R1.6 NCC1CSC1 MC121257 [0,1,0,0,1,0|1,0,1]=4 454 B6R1.6 NNC1CCC1 MC111229 [0,1,0,0,1,0|1,0,1]=4 455 B6R1.10 CC1(N)CSC1 MC113158 [0,1,0,0,1,0|1,0,1]=4 456 B8R1.2 BrCC1=CCCCC1 MC103521 [0,1,0,0,0,1|2,0,0]=4 457 B8R1.2 C#CC1CCSCC1 MC104148 [0,1,0,0,0,1|1,0,1]=4 458 B8R1.2 NCC1CCSCC1 MC102976 [0,1,0,0,0,1|1,0,1]=4 459 B8R1.2 NCC1CCSCC1 MC111187 [0,1,0,0,0,1|1,0,1]=4 460 B8R1.2 O=CC1=CCCOC1 CS10171 [0,1,0,0,0,1|0,1,0]=3 461 B8R1.2 O=CC1CCCCC1 MC20143 [0,1,0,0,0,1|1,0,1]=4 462 B8R1.2 O=CC1CCCOC1 MC442323 [0,1,0,0,0,1|0,1,1]=4 463 B8R1.2 O=CC1CCOCC1 MC445812 [0,1,0,0,0,1|0,1,1]=4 464 B8R1.2 O=CN1CCOCC1 CS11780 [0,1,0,0,0,1|1,1,0]=4 465 B8R1.3 C=C1CCC(=O)CC1 MC106742 [0,1,0,0,0,1|1,0,0]=3 466 B8R1.3 C=C1CCC(C)CC1 MC105701 [0,1,0,0,0,1|2,0,0]=4 467 B8R1.3 CN1CC=C(Br)CC1 MC425142 [0,1,0,0,0,1|2,0,0]=4 468 B8R1.3 CN1CCC(=O)CC1 CS18410 [0,1,0,0,0,1|1,0,0]=3 469 B8R1.3 NC1CCC(=O)CC1 CS22583 [0,1,0,0,0,1|1,0,0]=3 470 B8R1.3 NC1CCC(=O)NC1 MC113024 [0,1,0,0,0,1|1,0,0]=3 471 B8R1.3 NC1CCC(=O)NC1 MC444382 [0,1,0,0,0,1|1,0,0]=3 472 B8R1.3 O=C1CCC(=O)CC1 CS19236 [0,1,0,0,0,1|1,0,0]=3 473 B8R1.3 O=C1CCC(=O)NC1 CS21155 [0,1,0,0,0,1|1,0,0]=3 474 B8R1.3 O=C1CCC(O)CC1 CS22889 [0,1,0,0,0,1|1,0,0]=3 475 B8R1.3 OC1CSC(O)CS1 MC41677 [0,1,0,0,0,1|0,0,2]=4 476 B8R1.4 CC1=CC(O)CCC1 MC111652 [0,1,0,0,0,1|2,0,0]=4 477 B8R1.4 CC1CC(=O)CCN1 MC101989 [0,1,0,0,0,1|1,0,0]=3 478 B8R1.4 CC1CC(=O)CCN1 MC103769 [0,1,0,0,0,1|1,0,0]=3 479 B8R1.4 CC1CC(=O)CCN1 MC444193 [0,1,0,0,0,1|1,0,0]=3 480 B8R1.4 CC1CC(=O)CCO1 MC103799 [0,1,0,0,0,1|0,1,0]=3 481 B8R1.4 CC1CC(=O)CCO1 MC103800 [0,1,0,0,0,1|0,1,0]=3 482 B8R1.4 CC1CC(=O)CCO1 MC31001 [0,1,0,0,0,1|0,1,0]=3 483 B8R1.4 CC1CNCC(=O)N1 MC103795 [0,1,0,0,0,1|1,0,0]=3 484 B8R1.4 CC1CNCC(=O)N1 MC104244 [0,1,0,0,0,1|1,0,0]=3 485 B8R1.4 CC1CNCC(=O)N1 MC444027 [0,1,0,0,0,1|1,0,0]=3 486 B8R1.4 CN1CCC=C(Br)C1 MC100076 [0,1,0,0,0,1|2,0,0]=4 487 B8R1.4 CN1CCNC(=O)C1 CS13438 [0,1,0,0,0,1|1,0,0]=3 488 B8R1.4 CN1CCOC(=O)C1 CS17566 [0,1,0,0,0,1|1,0,0]=3 489 B8R1.4 NC1CCNC(=O)C1 CS15459 [0,1,0,0,0,1|1,0,0]=3 490 B8R1.4 NC1CCNC(=O)C1 MC444313 [0,1,0,0,0,1|1,0,0]=3 491 B8R1.4 O=C1CCCC(=O)C1 CS19094 [0,1,0,0,0,1|1,0,0]=3 492 B8R1.4 O=C1CCCC(=O)O1 CS11243 [0,1,0,0,0,1|1,0,1]=4 493 B8R1.4 O=C1CCNC(=O)C1 CS18339 [0,1,0,0,0,1|1,0,0]=3 494 B8R1.4 O=C1CNCC(=O)N1 CS19079 [0,1,0,0,0,1|1,0,1]=4 495 B8R1.5 CC1CCNCC1=O MC105562 [0,1,0,0,0,1|1,0,0]=3 496 B8R1.5 CC1CNCCC1=O MC106748 [0,1,0,0,0,1|1,0,0]=3 497 B8R1.5 CC1COCCC1=O MC425868 [0,1,0,0,0,1|0,1,0]=3 498 B8R1.5 CN1CCNCC1=O CS17040 [0,1,0,0,0,1|1,0,0]=3 499 B8R1.5 CN1CCNCC1=O CS18390 [0,1,0,0,0,1|1,0,0]=3 500 B8R1.5 NC1CCCNC1=O MC106744 [0,1,0,0,0,1|1,0,0]=3 501 B8R1.5 O=C1CCCC=C1I MC106097 [0,1,0,0,0,1|1,0,1]=4 502 B8R1.5 O=C1CCCCC1=O CS20486 [0,1,0,0,0,1|1,0,0]=3 503 B8R1.5 O=C1CCNCC1Br MC106749 [0,1,0,0,0,1|1,0,0]=3 504 B8R1.5 O=C1NCCCC1Br CS14644 [0,1,0,0,0,1|1,0,0]=3 505 B8R1.5 O=C1NCCCC1O CS19689 [0,1,0,0,0,1|1,0,0]=3 506 B8R1.5 O=C1OCCCC1O CS16147 [0,1,0,0,0,1|1,0,0]=3 507 B8R1.72 O=S1(=O)CCCCN1 MC428209 [0,1,0,0,0,1|2,0,0]=4 508 B8R1.72 O=S1(=O)CCNCC1 CS16686 [0,1,0,0,0,1|2,0,0]=4 509 B8R1.1 NCC1CNC(=O)C1 MC101927 [0,2,0,0,0,0|2,0,0]=4 510 B8R1.1 NCC1CNC(=O)C1 MC105678 [0,2,0,0,0,0|2,0,0]=4 511 B8R1.1 NCC1CNC(=O)C1 MC121239 [0,2,0,0,0,0|2,0,0]=4 512 B8R1.1 O=C1CC(CF)CO1 MC10217 [0,2,0,0,0,0|2,0,0]=4 513 B8R1.1 O=C1CCC(CO)N1 CS13834 [0,2,0,0,0,0|2,0,0]=4 514 B8R1.1 O=C1CCC(CO)N1 CS15562 [0,2,0,0,0,0|2,0,0]=4 515 B8R1.7 CC(=O)C1CCCC1 CS20673 [0,2,0,0,0,0|1,0,1]=4 516 B8R1.7 CC(=O)C1CCCC1 MC445790 [0,2,0,0,0,0|1,0,1]=4 517 B8R1.7 O=C(O)C1CCNC1 CS18444 [0,2,0,0,0,0|1,0,1]=4 518 B8R1.7 O=C(O)C1CCNC1 CS19637 [0,2,0,0,0,0|1,0,1]=4 519 B8R1.7 O=C(O)C1CCOC1 CS19475 [0,2,0,0,0,0|0,1,1]=4 520 B8R1.7 O=C(O)C1CCOC1 MC444586 [0,2,0,0,0,0|0,1,1]=4 521 B8R1.7 O=C(O)C1CSCN1 CS15627 [0,2,0,0,0,0|1,0,1]=4 522 B8R1.7 O=C(O)C1CSCN1 MC20446 [0,2,0,0,0,0|1,0,1]=4 523 B8R1.7 O=C([O-])C1CSCN1 MC436714 [0,2,0,0,0,0|1,0,1]=4 524 B8R1.11 N#CC1CCCC1=O CS20047 [0,2,0,0,0,0|1,0,0]=3 525 B8R1.11 O=C1NCCC1CO MC104392 [0,2,0,0,0,0|2,0,0]=4 526 B8R1.18 CC1CC(=O)OC1=O MC440511 [0,2,0,0,0,0|2,0,0]=4 527 B8R1.18 CN1CC(N)CC1=O MC104828 [0,2,0,0,0,0|2,0,0]=4 528 B8R1.18 CN1CC(O)CC1=O MC111393 [0,2,0,0,0,0|2,0,0]=4 529 B8R1.50 CC1=C(O)C(=O)CC1 CS16508 [0,2,0,0,0,0|1,0,1]=4 530 B8R1.50 CC1C(=O)CCC1=O CS21655 [0,2,0,0,0,0|1,0,0]=3 531 B8R1.50 O=C1CCC(=O)N1Br CS19757 [0,2,0,0,0,0|2,0,0]=4 532 B8R1.50 O=C1CCC(=O)N1I CS19758 [0,2,0,0,0,0|2,0,0]=4 533 B8R1.50 O=C1CCC(=O)N1O CS19674 [0,2,0,0,0,0|2,0,0]=4 534 B8R1.50 O=C1OCC(O)C1Br MC113108 [0,2,0,0,0,0|2,0,0]=4 535 B8R1.51 CC1(C)CNC(=O)C1 CS22480 [0,2,0,0,0,0|2,0,0]=4 536 B8R1.51 NC1CCS(=O)(=O)C1 CS22113 [0,2,0,0,0,0|2,0,0]=4 537 B8R1.51 O=C1CCS(=O)(=O)C1 CS20460 [0,2,0,0,0,0|0,0,1]=3 538 B8R1.51 O=S1(=O)CCC(O)C1 MC107294 [0,2,0,0,0,0|2,0,0]=4 539 B6R1.11 NC(=O)C1CC1 CS16456 [0,0,1,1,0,0|2,0,0]=4 540 B6R1.11 O=C(Cl)C1CC1 MC434039 [0,0,1,1,0,0|2,0,0]=4 541 B6R1.11 O=C(O)C1CC1 CS13839 [0,0,1,1,0,0|2,0,0]=4 542 B6R1.11 O=C([O-])C1CO1 CS17514 [0,0,1,1,0,0|1,1,0]=4 543 B6R1.1 C1=CCNCC1 MC444071 [0,0,1,1,0,0|2,0,0]=4 544 B6R1.1 C1=CCOCC1 MC427315 [0,0,1,1,0,0|1,1,0]=4 545 B6R1.1 C1=CCSCC1 MC427366 [0,0,1,1,0,0|1,0,0]=3 546 B6R1.1 C1CSCCN1 MC20759 [0,0,1,1,0,0|1,0,1]=4 547 B4R1.1 C1CNC1 CS14211 [1,0,0,0,1,0|1,0,0]=3 548 B4R1.1 C1CNC1 MC445038 [1,0,0,0,1,0|1,0,0]=3 549 B4R1.2 BrC1CC1 CS19063 [0,0,0,0,2,0|1,0,1]=4 550 B4R1.2 CC1=CC1 MC20873 [0,0,0,0,2,0|1,0,1]=4 551 B4R1.2 OC1CC1 MC443565 [0,0,0,0,2,0|0,0,2]=4 552 B8R1.22 O=C1CCCNCC1 CS19096 [0,0,0,0,0,2|1,0,0]=3 553 B8R1.22 O=C1CCNCCN1 CS18857 [0,0,0,0,0,2|1,0,0]=3 554 B8R1.22 O=C1CCSCCN1 MC121122 [0,0,0,0,0,2|0,0,0]=2 555 B8R1.22 O=S1CCCNCC1 MC100495 [0,0,0,0,0,2|2,0,0]=4