0 B8R1.2 BrCC1=CCCCC1 MC103521 [0,0,0,0,0,0|2,0,1]=3 1 B8R1.2 BrCC1CCCCC1 CS19887 [0,0,0,0,0,0|2,0,0]=2 2 B8R1.2 BrCC1CCCOC1 MC102393 [0,0,0,0,0,0|3,0,0]=3 3 B8R1.2 Br[Zn]C1C=CCCC1 MC116069 [0,0,0,0,0,0|3,0,1]=4 4 B8R1.2 Br[Zn]C1CCCCC1 MC121343 [0,0,0,0,0,0|3,0,0]=3 5 B8R1.2 Br[Zn]C1CCOCC1 MC116068 [0,0,0,0,0,0|4,0,0]=4 6 B8R1.2 C#CC1CCCOC1 MC104582 [0,0,0,0,0,0|3,0,1]=4 7 B8R1.2 C#CC1CCSCC1 MC104148 [0,0,0,0,0,0|3,0,1]=4 8 B8R1.2 CCC1CNCCN1 MC31046 [0,0,0,0,0,0|3,0,0]=3 9 B8R1.2 CCC1CNCCN1 MC31080 [0,0,0,0,0,0|3,0,0]=3 10 B8R1.2 CCC1CNCCO1 MC444035 [0,0,0,0,0,0|2,0,0]=2 11 B8R1.2 CCC1CNCCO1 MC444058 [0,0,0,0,0,0|2,0,0]=2 12 B8R1.2 CCC1CNCCO1 MC444187 [0,0,0,0,0,0|2,0,0]=2 13 B8R1.2 CCC1COCCN1 MC20812 [0,0,0,0,0,0|3,0,0]=3 14 B8R1.2 CCC1COCCN1 MC444040 [0,0,0,0,0,0|3,0,0]=3 15 B8R1.2 CCC1COCCN1 MC444061 [0,0,0,0,0,0|3,0,0]=3 16 B8R1.2 CCC1COCCN1 MC444269 [0,0,0,0,0,0|3,0,0]=3 17 B8R1.2 CCN1CCNCC1 CS20680 [0,0,0,0,0,0|4,0,0]=4 18 B8R1.2 CNC1CCCNC1 CS22823 [0,0,0,0,0,0|4,0,0]=4 19 B8R1.2 CNC1CCOCC1 CS15192 [0,0,0,0,0,0|4,0,0]=4 20 B8R1.2 COC1CCCNC1 MC31194 [0,0,0,0,0,0|4,0,0]=4 21 B8R1.2 COC1CCCNC1 MC444290 [0,0,0,0,0,0|4,0,0]=4 22 B8R1.2 COC1CCNCC1 MC444354 [0,0,0,0,0,0|4,0,0]=4 23 B8R1.2 CSC1CCNCC1 MC444359 [0,0,0,0,0,0|4,0,0]=4 24 B8R1.2 ClCC1CNCCO1 MC106711 [0,0,0,0,0,0|2,0,0]=2 25 B8R1.2 Cl[Mg]C1CCOCC1 MC121322 [0,0,0,0,0,0|4,0,0]=4 26 B8R1.2 ICC1CCOCC1 MC31010 [0,0,0,0,0,0|3,0,0]=3 27 B8R1.2 N#CC1CCCCN1 MC105353 [0,0,0,0,0,0|2,0,1]=3 28 B8R1.2 N#CC1CCCCN1 MC444185 [0,0,0,0,0,0|2,0,1]=3 29 B8R1.2 N#CC1CCCNC1 MC105598 [0,0,0,0,0,0|3,0,1]=4 30 B8R1.2 N#CC1CCCNC1 MC444266 [0,0,0,0,0,0|3,0,1]=4 31 B8R1.2 N#CC1CCOCC1 CS12562 [0,0,0,0,0,0|3,0,1]=4 32 B8R1.2 N#CC1CNCCN1 CS12950 [0,0,0,0,0,0|3,0,1]=4 33 B8R1.2 N#CC1CNCCO1 MC442480 [0,0,0,0,0,0|2,0,1]=3 34 B8R1.2 NCC1CCCCC1 MC20908 [0,0,0,0,0,0|2,0,0]=2 35 B8R1.2 NCC1CCCCN1 CS22822 [0,0,0,0,0,0|2,0,0]=2 36 B8R1.2 NCC1CCCOC1 CS18439 [0,0,0,0,0,0|3,0,0]=3 37 B8R1.2 NCC1CCCOC1 MC105501 [0,0,0,0,0,0|3,0,0]=3 38 B8R1.2 NCC1CCCOC1 MC105502 [0,0,0,0,0,0|3,0,0]=3 39 B8R1.2 NCC1CCOCC1 CS18584 [0,0,0,0,0,0|3,0,0]=3 40 B8R1.2 NCC1CCSCC1 MC102976 [0,0,0,0,0,0|3,0,0]=3 41 B8R1.2 NCC1CCSCC1 MC111187 [0,0,0,0,0,0|3,0,0]=3 42 B8R1.2 NCC1COCCO1 MC444012 [0,0,0,0,0,0|2,0,0]=2 43 B8R1.2 NCC1COCCO1 MC444016 [0,0,0,0,0,0|2,0,0]=2 44 B8R1.2 NNC1CCCCC1 MC442574 [0,0,0,0,0,0|3,0,0]=3 45 B8R1.2 NNC1CCCCC1 MC442575 [0,0,0,0,0,0|3,0,0]=3 46 B8R1.2 NNC1CCOCC1 CS13041 [0,0,0,0,0,0|4,0,0]=4 47 B8R1.2 NNC1CCOCC1 CS20368 [0,0,0,0,0,0|4,0,0]=4 48 B8R1.2 NOC1CCCCO1 CS17026 [0,0,0,0,0,0|2,0,0]=2 49 B8R1.2 O=CC1CCCCC1 MC20143 [0,0,0,0,0,0|1,0,2]=3 50 B8R1.2 O=CC1CCCOC1 MC442323 [0,0,0,0,0,0|2,0,2]=4 51 B8R1.2 O=CC1CCOCC1 MC445812 [0,0,0,0,0,0|2,0,2]=4 52 B8R1.2 OCC1CCC=CO1 MC20505 [0,0,0,0,0,0|0,0,2]=2 53 B8R1.2 OCC1CCCCC1 MC20144 [0,0,0,0,0,0|1,0,0]=1 54 B8R1.2 OCC1CCCCN1 CS21780 [0,0,0,0,0,0|1,0,0]=1 55 B8R1.2 OCC1CCCNC1 CS15958 [0,0,0,0,0,0|2,0,0]=2 56 B8R1.2 OCC1CCCNC1 CS22817 [0,0,0,0,0,0|2,0,0]=2 57 B8R1.2 OCC1CCCOC1 MC31058 [0,0,0,0,0,0|2,0,0]=2 58 B8R1.2 OCC1CCNCC1 CS22819 [0,0,0,0,0,0|2,0,0]=2 59 B8R1.2 OCC1CCOCC1 CS18741 [0,0,0,0,0,0|2,0,0]=2 60 B8R1.2 OCC1CNCCO1 CS14518 [0,0,0,0,0,0|1,0,0]=1 61 B8R1.2 OCC1CNCCO1 CS15145 [0,0,0,0,0,0|1,0,0]=1 62 B8R1.2 OCC1CNCCO1 CS15312 [0,0,0,0,0,0|1,0,0]=1 63 B8R1.2 OCC1COCCN1 CS15269 [0,0,0,0,0,0|2,0,0]=2 64 B8R1.2 OCC1COCCN1 CS15280 [0,0,0,0,0,0|2,0,0]=2 65 B8R1.2 OCC1COCCN1 MC106628 [0,0,0,0,0,0|2,0,0]=2 66 B8R1.2 OCC1COCCN1 MC115923 [0,0,0,0,0,0|2,0,0]=2 67 B8R1.2 OCC1COCCN1 MC444278 [0,0,0,0,0,0|2,0,0]=2 68 B8R1.2 OCC1COCCO1 MC107175 [0,0,0,0,0,0|1,0,0]=1 69 B8R1.2 OCC1COCCO1 MC107176 [0,0,0,0,0,0|1,0,0]=1 70 B7R1.3 BrC1CCCCC1 CS11079 [1,0,0,0,0,0|2,0,0]=3 71 B7R1.3 BrC1CCNCC1 CS18356 [1,0,0,0,0,0|3,0,0]=4 72 B7R1.3 BrC1CCOCC1 CS18193 [1,0,0,0,0,0|3,0,0]=4 73 B7R1.3 CC1CCCCN1 MC20418 [1,0,0,0,0,0|1,0,0]=2 74 B7R1.3 CC1CCCNC1 CS16133 [1,0,0,0,0,0|2,0,0]=3 75 B7R1.3 CC1CCCNC1 MC425227 [1,0,0,0,0,0|2,0,0]=3 76 B7R1.3 CC1CNCCN1 CS13503 [1,0,0,0,0,0|2,0,0]=3 77 B7R1.3 CC1CNCCN1 CS17164 [1,0,0,0,0,0|2,0,0]=3 78 B7R1.3 CC1CNCCN1 CS17167 [1,0,0,0,0,0|2,0,0]=3 79 B7R1.3 CC1CNCCO1 CS14515 [1,0,0,0,0,0|1,0,0]=2 80 B7R1.3 CC1CNCCO1 CS14521 [1,0,0,0,0,0|1,0,0]=2 81 B7R1.3 CC1CNCCO1 CS19299 [1,0,0,0,0,0|1,0,0]=2 82 B7R1.3 CC1CNCCO1 CS21692 [1,0,0,0,0,0|1,0,0]=2 83 B7R1.3 CC1CNCCO1 MC444038 [1,0,0,0,0,0|1,0,0]=2 84 B7R1.3 CC1CNCCO1 MC444192 [1,0,0,0,0,0|1,0,0]=2 85 B7R1.3 CC1COCCN1 CS14856 [1,0,0,0,0,0|2,0,0]=3 86 B7R1.3 CC1COCCN1 CS20285 [1,0,0,0,0,0|2,0,0]=3 87 B7R1.3 CC1COCCN1 CS22371 [1,0,0,0,0,0|2,0,0]=3 88 B7R1.3 CC1COCCN1 CS22413 [1,0,0,0,0,0|2,0,0]=3 89 B7R1.3 CC1COCCN1 MC20820 [1,0,0,0,0,0|2,0,0]=3 90 B7R1.3 CN1CCNCC1 MC20458 [1,0,0,0,0,0|3,0,0]=4 91 B7R1.3 ClC1CCNCC1 CS16938 [1,0,0,0,0,0|3,0,0]=4 92 B7R1.3 FC1CCCNC1 MC101908 [1,0,0,0,0,0|3,0,0]=4 93 B7R1.3 FC1CCCNC1 MC101918 [1,0,0,0,0,0|3,0,0]=4 94 B7R1.3 FC1CCCNC1 MC444270 [1,0,0,0,0,0|3,0,0]=4 95 B7R1.3 FC1CCNCC1 CS22845 [1,0,0,0,0,0|3,0,0]=4 96 B7R1.3 IC1CCOCC1 CS18194 [1,0,0,0,0,0|3,0,0]=4 97 B7R1.3 NC1CCCNC1 CS17178 [1,0,0,0,0,0|3,0,0]=4 98 B7R1.3 NC1CCCNC1 CS17182 [1,0,0,0,0,0|3,0,0]=4 99 B7R1.3 NC1CCCNC1 CS22655 [1,0,0,0,0,0|3,0,0]=4 100 B7R1.3 NC1CCOCC1 CS16997 [1,0,0,0,0,0|3,0,0]=4 101 B7R1.3 NC1CCOCC1 CS18985 [1,0,0,0,0,0|3,0,0]=4 102 B7R1.3 O=C1CCCCN1 MC429045 [1,0,0,0,0,0|1,0,2]=4 103 B7R1.3 O=C1CCCCO1 CS11208 [1,0,0,0,0,0|0,0,2]=3 104 B7R1.3 O=C1CNCCO1 MC441004 [1,0,0,0,0,0|1,0,2]=4 105 B7R1.3 O=C1COCCO1 MC20725 [1,0,0,0,0,0|1,0,2]=4 106 B7R1.3 OC1CCCNC1 CS17016 [1,0,0,0,0,0|2,0,0]=3 107 B7R1.3 OC1CCCNC1 CS17020 [1,0,0,0,0,0|2,0,0]=3 108 B7R1.3 OC1CCCNC1 CS22642 [1,0,0,0,0,0|2,0,0]=3 109 B7R1.3 OC1CCCOC1 CS17782 [1,0,0,0,0,0|2,0,0]=3 110 B7R1.3 OC1CCNCC1 CS14900 [1,0,0,0,0,0|2,0,0]=3 111 B7R1.3 OC1CCNCC1 CS22643 [1,0,0,0,0,0|2,0,0]=3 112 B7R1.3 OC1CCOCC1 CS13929 [1,0,0,0,0,0|2,0,0]=3 113 B7R1.3 OC1CCSCC1 CS12012 [1,0,0,0,0,0|2,0,0]=3 114 B7R1.3 SC1CCCNC1 MC105166 [1,0,0,0,0,0|2,1,0]=4 115 B7R1.3 SC1CCOCC1 MC107026 [1,0,0,0,0,0|2,1,0]=4 116 B9R1.1 CN1CCC(CN)CC1 CS21766 [0,1,0,0,0,0|3,0,0]=4 117 B9R1.1 CN1CCC(CO)CC1 CS19632 [0,1,0,0,0,0|2,0,0]=3 118 B9R1.1 CNC1CCC(O)CC1 MC103812 [0,1,0,0,0,0|3,0,0]=4 119 B9R1.1 COC1CCC(N)CC1 CS13257 [0,1,0,0,0,0|3,0,0]=4 120 B9R1.1 COC1CCC(N)CC1 MC429972 [0,1,0,0,0,0|3,0,0]=4 121 B9R1.1 COC1CCC(O)CC1 CS15906 [0,1,0,0,0,0|3,0,0]=4 122 B9R1.1 N#CC1CCC(O)CC1 CS14344 [0,1,0,0,0,0|2,0,1]=4 123 B9R1.1 NC1CCC(CO)CC1 MC425647 [0,1,0,0,0,0|1,0,0]=2 124 B9R1.1 NCC1CCC(O)CC1 MC102788 [0,1,0,0,0,0|2,0,0]=3 125 B9R1.1 NCC1CCC(O)CC1 MC103405 [0,1,0,0,0,0|2,0,0]=3 126 B9R1.1 NCC1CCC(O)CC1 MC104233 [0,1,0,0,0,0|2,0,0]=3 127 B9R1.2 CC1CCCC(CO)N1 MC104326 [0,1,0,0,0,0|1,0,0]=2 128 B9R1.2 CN1CCCC(CN)C1 CS18007 [0,1,0,0,0,0|3,0,0]=4 129 B9R1.2 CN1CCCC(CN)C1 MC103935 [0,1,0,0,0,0|3,0,0]=4 130 B9R1.2 CN1CCCC(CO)C1 MC425692 [0,1,0,0,0,0|2,0,0]=3 131 B9R1.2 CN1CCNC(CO)C1 MC431434 [0,1,0,0,0,0|2,0,0]=3 132 B9R1.2 CN1CCOC(CN)C1 CS21704 [0,1,0,0,0,0|2,0,0]=3 133 B9R1.2 O=C1CC(CO)CCN1 MC444199 [0,1,0,0,0,0|2,0,1]=4 134 B9R1.2 O=C1COCC(CO)N1 CS17255 [0,1,0,0,0,0|2,0,1]=4 135 B9R1.6 CC(C)C1CNCCO1 CS16451 [0,1,0,0,0,0|2,0,0]=3 136 B9R1.6 CC(C)C1CNCCO1 MC444036 [0,1,0,0,0,0|2,0,0]=3 137 B9R1.6 CC(C)C1CNCCO1 MC444059 [0,1,0,0,0,0|2,0,0]=3 138 B9R1.6 CC(C)C1COCCN1 MC20926 [0,1,0,0,0,0|3,0,0]=4 139 B9R1.6 CC(C)C1COCCN1 MC444041 [0,1,0,0,0,0|3,0,0]=4 140 B9R1.6 CC(C)C1COCCN1 MC444063 [0,1,0,0,0,0|3,0,0]=4 141 B9R1.6 CC(C)C1COCCN1 MC444288 [0,1,0,0,0,0|3,0,0]=4 142 B9R1.6 FC(F)C1CCNCC1 MC442355 [0,1,0,0,0,0|3,0,0]=4 143 B9R1.6 NC(=O)C1CCCCN1 MC425161 [0,1,0,0,0,0|1,0,2]=4 144 B9R1.6 O=C(O)C1CCCCC1 CS16426 [0,1,0,0,0,0|1,0,1]=3 145 B9R1.6 O=C(O)C1CCCCN1 CS13937 [0,1,0,0,0,0|1,0,1]=3 146 B9R1.6 O=C(O)C1CCCCN1 CS18416 [0,1,0,0,0,0|1,0,1]=3 147 B9R1.6 O=C(O)C1CCCCN1 CS18418 [0,1,0,0,0,0|1,0,1]=3 148 B9R1.6 O=C(O)C1CCCCN1 CS18433 [0,1,0,0,0,0|1,0,1]=3 149 B9R1.6 O=C(O)C1CCCNC1 CS12538 [0,1,0,0,0,0|2,0,1]=4 150 B9R1.6 O=C(O)C1CCCNC1 CS22802 [0,1,0,0,0,0|2,0,1]=4 151 B9R1.6 O=C(O)C1CCCNC1 CS22806 [0,1,0,0,0,0|2,0,1]=4 152 B9R1.6 O=C(O)C1CCCOC1 CS18526 [0,1,0,0,0,0|2,0,1]=4 153 B9R1.6 O=C(O)C1CCCSC1 MC113062 [0,1,0,0,0,0|2,0,1]=4 154 B9R1.6 O=C(O)C1CCNCC1 CS15208 [0,1,0,0,0,0|2,0,1]=4 155 B9R1.6 O=C(O)C1CCNCC1 CS22807 [0,1,0,0,0,0|2,0,1]=4 156 B9R1.6 O=C(O)C1CCOCC1 CS18392 [0,1,0,0,0,0|2,0,1]=4 157 B9R1.6 O=C(O)C1CNCCN1 CS16953 [0,1,0,0,0,0|2,0,1]=4 158 B9R1.6 O=C(O)C1CNCCN1 CS17152 [0,1,0,0,0,0|2,0,1]=4 159 B9R1.6 O=C(O)C1CNCCN1 CS22631 [0,1,0,0,0,0|2,0,1]=4 160 B9R1.6 O=C(O)C1CNCCN1 CS22824 [0,1,0,0,0,0|2,0,1]=4 161 B9R1.6 O=C(O)C1CNCCO1 CS21703 [0,1,0,0,0,0|1,0,1]=3 162 B9R1.6 O=C(O)C1CNCCO1 MC444042 [0,1,0,0,0,0|1,0,1]=3 163 B9R1.6 O=C(O)C1CNCCO1 MC444064 [0,1,0,0,0,0|1,0,1]=3 164 B9R1.6 O=C(O)C1COCCN1 CS16814 [0,1,0,0,0,0|2,0,1]=4 165 B9R1.6 O=C(O)C1COCCN1 CS17811 [0,1,0,0,0,0|2,0,1]=4 166 B9R1.6 O=C(O)C1CSCCN1 CS19640 [0,1,0,0,0,0|2,0,1]=4 167 B9R1.6 OB(O)C1=CCCCC1 CS18401 [0,1,0,0,0,0|2,0,1]=4 168 B9R1.6 OB(O)C1CCCCC1 CS18573 [0,1,0,0,0,0|2,0,0]=3 169 B9R1.8 BrCCN1CCCCC1 CS16757 [0,1,0,0,0,0|3,0,0]=4 170 B9R1.8 Br[Zn]CC1CCCCC1 MC121338 [0,1,0,0,0,0|2,0,0]=3 171 B9R1.8 C#CCN1CCCCC1 CS15416 [0,1,0,0,0,0|3,0,0]=4 172 B9R1.8 CCNC1CCCCC1 CS11778 [0,1,0,0,0,0|2,0,0]=3 173 B9R1.8 CCOC1CCCNC1 CS13869 [0,1,0,0,0,0|3,0,0]=4 174 B9R1.8 CNCC1CCCOC1 MC104397 [0,1,0,0,0,0|3,0,0]=4 175 B9R1.8 COCC1CNCCO1 MC105771 [0,1,0,0,0,0|1,0,0]=2 176 B9R1.8 COCC1CNCCO1 MC444037 [0,1,0,0,0,0|1,0,0]=2 177 B9R1.8 COCC1CNCCO1 MC444190 [0,1,0,0,0,0|1,0,0]=2 178 B9R1.8 ClCCN1CCCCC1 CS19629 [0,1,0,0,0,0|3,0,0]=4 179 B9R1.8 N#CCC1CCCNC1 MC113061 [0,1,0,0,0,0|3,0,0]=4 180 B9R1.8 N#CCC1CCNCC1 MC121092 [0,1,0,0,0,0|3,0,0]=4 181 B9R1.8 N#CCC1CCNCC1 MC425238 [0,1,0,0,0,0|3,0,0]=4 182 B9R1.8 NCCC1CCCCC1 CS18358 [0,1,0,0,0,0|2,0,0]=3 183 B9R1.8 NCCC1CCOCC1 MC20509 [0,1,0,0,0,0|3,0,0]=4 184 B9R1.8 NCCN1CCCCC1 CS16099 [0,1,0,0,0,0|3,0,0]=4 185 B9R1.8 OCCC1CCCCN1 CS13732 [0,1,0,0,0,0|1,0,0]=2 186 B9R1.8 OCCC1CCCCN1 CS17564 [0,1,0,0,0,0|1,0,0]=2 187 B9R1.8 OCCC1CCCCN1 MC445188 [0,1,0,0,0,0|1,0,0]=2 188 B9R1.8 OCCC1CNCCN1 CS16449 [0,1,0,0,0,0|2,0,0]=3 189 B9R1.8 OCCC1CNCCN1 CS16450 [0,1,0,0,0,0|2,0,0]=3 190 B9R1.8 OCCC1CNCCN1 MC113929 [0,1,0,0,0,0|2,0,0]=3 191 B9R1.8 OCCC1CNCCO1 MC107498 [0,1,0,0,0,0|1,0,0]=2 192 B9R1.8 OCCN1CCNCC1 CS13442 [0,1,0,0,0,0|3,0,0]=4 193 B9R1.8 OCCN1CCOCC1 CS11708 [0,1,0,0,0,0|3,0,0]=4 194 B9R1.8 OCCN1CCSCC1 CS18622 [0,1,0,0,0,0|3,0,0]=4 195 B9R1.15 CCC1CNCCC1=O CS17950 [0,1,0,0,0,0|3,0,0]=4 196 B9R1.15 CN1CCCCC1CO CS16091 [0,1,0,0,0,0|1,0,0]=2 197 B9R1.15 CN1CCCCC1CO CS16092 [0,1,0,0,0,0|1,0,0]=2 198 B9R1.15 CN1CCCCC1CO CS18858 [0,1,0,0,0,0|1,0,0]=2 199 B9R1.15 CN1CCOCC1CN CS14994 [0,1,0,0,0,0|3,0,0]=4 200 B9R1.15 N#CC1CCCCC1=O MC33325 [0,1,0,0,0,0|2,0,1]=4 201 B9R1.15 NCC1CCNCC1O MC105550 [0,1,0,0,0,0|3,0,0]=4 202 B9R1.15 NCC1CCNCC1O MC105642 [0,1,0,0,0,0|3,0,0]=4 203 B9R1.15 OCC1CCNCC1F MC121266 [0,1,0,0,0,0|2,0,0]=3 204 B9R1.118 C#CC1(C)CCCCC1 MC114544 [0,1,0,0,0,0|2,0,1]=4 205 B9R1.118 CC1(CN)CCOCC1 MC104731 [0,1,0,0,0,0|3,0,0]=4 206 B9R1.118 CC1(CO)CCCNC1 MC444219 [0,1,0,0,0,0|2,0,0]=3 207 B9R1.118 CC1(CO)CCNCC1 CS12640 [0,1,0,0,0,0|2,0,0]=3 208 B9R1.118 CCC1(O)CCCCC1 MC111123 [0,1,0,0,0,0|2,0,0]=3 209 B9R1.118 CCC1(O)CCNCC1 MC444349 [0,1,0,0,0,0|3,0,0]=4 210 B9R1.118 NC1(CO)CCOCC1 MC444316 [0,1,0,0,0,0|2,0,0]=3 211 B9R1.118 NC1(CO)CCOCC1 MC444317 [0,1,0,0,0,0|2,0,0]=3 212 B9R1.118 NCC1(F)CCOCC1 MC114975 [0,1,0,0,0,0|3,0,0]=4 213 B9R1.118 NCC1(O)CCOCC1 CS15150 [0,1,0,0,0,0|3,0,0]=4 214 B9R1.118 NCC1(O)CCOCC1 MC31193 [0,1,0,0,0,0|3,0,0]=4 215 B9R1.118 OC1(CBr)CCCCC1 MC107759 [0,1,0,0,0,0|2,0,0]=3 216 B9R1.118 OCC1(O)CCNCC1 MC429078 [0,1,0,0,0,0|2,0,0]=3 217 B9R1.118 OCC1(O)CCNCC1 MC444352 [0,1,0,0,0,0|2,0,0]=3 218 B7R0.1 BrCCCCCCBr CS20550 [0,0,1,0,0,0|2,0,0]=3 219 B7R0.1 C#CCCCCCO CS10705 [0,0,1,0,0,0|1,0,1]=3 220 B7R0.1 C=CCCCCCBr CS19607 [0,0,1,0,0,0|2,0,1]=4 221 B7R0.1 COCCOCCN MC431493 [0,0,1,0,0,0|2,0,0]=3 222 B7R0.1 N#CCCCCCBr MC41862 [0,0,1,0,0,0|2,0,1]=4 223 B7R0.1 NCCCNCCBr CS13982 [0,0,1,0,0,0|3,0,0]=4 224 B7R0.1 OCCCCCCBr CS14335 [0,0,1,0,0,0|1,0,0]=2 225 B7R0.3 C=CCCC(O)CCl MC114485 [0,0,1,0,0,0|1,0,2]=4 226 B7R0.3 CCC(O)CCCO MC116029 [0,0,1,0,0,0|2,0,0]=3 227 B7R0.3 CSCCC(N)CO MC437961 [0,0,1,0,0,0|2,0,0]=3 228 B7R0.12 COC(CSC)OC MC10796 [0,0,1,0,0,0|3,0,0]=4 229 B9R2.49 C1CC2CCC1CN2 MC425241 [0,0,0,1,0,0|2,0,0]=3 230 B9R2.49 C1CC2CNC1CO2 MC103904 [0,0,0,1,0,0|1,0,0]=2 231 B9R2.49 C1CC2CNC1CO2 MC444195 [0,0,0,1,0,0|1,0,0]=2 232 B9R2.49 C1CN2CCC1CC2 MC440084 [0,0,0,1,0,0|3,0,0]=4 233 B9R2.50 C1CNC2CNC2C1 MC105483 [0,0,0,1,0,0|2,0,0]=3 234 B9R2.53 OC1C2CNCC1C2 MC102420 [0,0,0,1,0,0|2,0,0]=3 235 B9R2.53 OC1C2CNCC1C2 MC104428 [0,0,0,1,0,0|2,0,0]=3 236 B9R2.56 OCC12CNCC1C2 MC102107 [0,0,0,1,0,0|2,0,0]=3 237 B9R2.56 OCC12CNCC1C2 MC104737 [0,0,0,1,0,0|2,0,0]=3 238 B9R2.65 OCC1C2CNCC12 MC104303 [0,0,0,1,0,0|2,0,0]=3 239 B9R2.65 OCC1C2CNCC12 MC444495 [0,0,0,1,0,0|2,0,0]=3 240 B9R2.68 C1CC2CCC(C1)N2 MC444465 [0,0,0,1,0,0|2,0,0]=3 241 B9R2.68 C1CC2CNCC1N2 CS15955 [0,0,0,1,0,0|3,0,0]=4 242 B9R2.68 C1CC2CNCC1O2 CS10860 [0,0,0,1,0,0|2,0,0]=3 243 B9R2.68 C1CC2COCC1N2 CS14923 [0,0,0,1,0,0|3,0,0]=4 244 B9R2.68 C1CC2COCC1N2 MC102946 [0,0,0,1,0,0|3,0,0]=4 245 B9R2.68 C1CC2COCC1N2 MC105474 [0,0,0,1,0,0|3,0,0]=4 246 B9R2.68 C1CN2CCC(C2)N1 MC103662 [0,0,0,1,0,0|3,0,0]=4 247 B9R2.68 C1CN2CCC(C2)N1 MC105589 [0,0,0,1,0,0|3,0,0]=4 248 B9R2.70 N#CC1NCC2CC21 MC102402 [0,0,0,1,0,0|2,0,1]=4 249 B9R2.70 OCC1NCC2CC21 MC115689 [0,0,0,1,0,0|1,0,0]=2 250 B9R2.174 C1CC2(CCN1)CC2 CS16182 [0,0,0,1,0,0|3,0,0]=4 251 B9R2.174 C1CC2(CCN1)CC2 MC102060 [0,0,0,1,0,0|3,0,0]=4 252 B9R2.174 C1CCC2(CC2)NC1 MC121178 [0,0,0,1,0,0|2,0,0]=3 253 B9R2.174 C1CNC2(CC2)CN1 CS14777 [0,0,0,1,0,0|3,0,0]=4 254 B9R2.174 C1CNC2(CC2)CN1 MC104518 [0,0,0,1,0,0|3,0,0]=4 255 B9R2.174 C1CNC2(CC2)CN1 MC444304 [0,0,0,1,0,0|3,0,0]=4 256 B7R1.1 BrCC1CCCC1 MC20145 [0,0,0,0,1,0|1,0,0]=2 257 B7R1.1 BrCC1CCCN1 MC114648 [0,0,0,0,1,0|2,0,0]=3 258 B7R1.1 BrCC1CCCO1 MC106365 [0,0,0,0,1,0|1,0,0]=2 259 B7R1.1 BrCC1OCCO1 CS21401 [0,0,0,0,1,0|2,0,0]=3 260 B7R1.1 Br[Zn]C1CCCC1 MC121342 [0,0,0,0,1,0|2,0,0]=3 261 B7R1.1 C#CC1CCOC1 MC103679 [0,0,0,0,1,0|2,0,1]=4 262 B7R1.1 CCC1CCCN1 MC110951 [0,0,0,0,1,0|2,0,0]=3 263 B7R1.1 CNC1CCOC1 MC104966 [0,0,0,0,1,0|3,0,0]=4 264 B7R1.1 CNC1CCOC1 MC105597 [0,0,0,0,1,0|3,0,0]=4 265 B7R1.1 COC1CCCN1 MC41692 [0,0,0,0,1,0|3,0,0]=4 266 B7R1.1 COC1CCNC1 CS12136 [0,0,0,0,1,0|3,0,0]=4 267 B7R1.1 COC1CCNC1 CS12137 [0,0,0,0,1,0|3,0,0]=4 268 B7R1.1 COC1CCNC1 CS22350 [0,0,0,0,1,0|3,0,0]=4 269 B7R1.1 ClCC1OCCO1 MC428002 [0,0,0,0,1,0|2,0,0]=3 270 B7R1.1 FCC1CCCN1 MC100102 [0,0,0,0,1,0|2,0,0]=3 271 B7R1.1 FCC1CCNC1 MC103199 [0,0,0,0,1,0|2,0,0]=3 272 B7R1.1 N#CC1CCCC1 MC433761 [0,0,0,0,1,0|1,0,1]=3 273 B7R1.1 N#CC1CCCN1 MC104069 [0,0,0,0,1,0|2,0,1]=4 274 B7R1.1 N#CC1CCOC1 MC103877 [0,0,0,0,1,0|2,0,1]=4 275 B7R1.1 N#CC1CCOC1 MC103878 [0,0,0,0,1,0|2,0,1]=4 276 B7R1.1 NCC1CCCC1 CS14873 [0,0,0,0,1,0|1,0,0]=2 277 B7R1.1 NCC1CCCN1 CS15469 [0,0,0,0,1,0|2,0,0]=3 278 B7R1.1 NCC1CCCN1 CS15745 [0,0,0,0,1,0|2,0,0]=3 279 B7R1.1 NCC1CCNC1 MC431426 [0,0,0,0,1,0|2,0,0]=3 280 B7R1.1 NCC1CCOC1 MC102307 [0,0,0,0,1,0|2,0,0]=3 281 B7R1.1 NCC1CCOC1 MC103862 [0,0,0,0,1,0|2,0,0]=3 282 B7R1.1 NCC1CCOC1 MC115675 [0,0,0,0,1,0|2,0,0]=3 283 B7R1.1 NCC1CCOC1 MC121256 [0,0,0,0,1,0|2,0,0]=3 284 B7R1.1 O=CC1CCCC1 MC21048 [0,0,0,0,1,0|0,0,2]=3 285 B7R1.1 OCC1CC=CC1 CS20734 [0,0,0,0,1,0|0,0,2]=3 286 B7R1.1 OCC1CCCC1 CS11185 [0,0,0,0,1,0|0,0,0]=1 287 B7R1.1 OCC1CCCN1 CS17003 [0,0,0,0,1,0|1,0,0]=2 288 B7R1.1 OCC1CCCN1 CS22640 [0,0,0,0,1,0|1,0,0]=2 289 B7R1.1 OCC1CCCO1 MC20392 [0,0,0,0,1,0|0,0,0]=1 290 B7R1.1 OCC1CCNC1 CS11284 [0,0,0,0,1,0|1,0,0]=2 291 B7R1.1 OCC1CCNC1 CS16764 [0,0,0,0,1,0|1,0,0]=2 292 B7R1.1 OCC1CCNC1 CS18341 [0,0,0,0,1,0|1,0,0]=2 293 B7R1.1 OCC1CCNC1 MC102405 [0,0,0,0,1,0|1,0,0]=2 294 B7R1.1 OCC1CCNC1 MC115660 [0,0,0,0,1,0|1,0,0]=2 295 B7R1.1 OCC1CCOC1 MC113000 [0,0,0,0,1,0|1,0,0]=2 296 B7R1.1 OCC1CCOC1 MC113001 [0,0,0,0,1,0|1,0,0]=2 297 B7R1.1 OCC1CCOC1 MC427704 [0,0,0,0,1,0|1,0,0]=2 298 B9R1.89 COC1CCCNCC1 MC101899 [0,0,0,0,0,1|3,0,0]=4 299 B9R1.89 N#CC1CCCNCC1 MC425892 [0,0,0,0,0,1|2,0,1]=4 300 B9R1.89 OCC1CCCCNC1 MC105285 [0,0,0,0,0,1|1,0,0]=2 301 B6R0.6 BrCCCCCBr MC41886 [1,0,1,0,0,0|2,0,0]=4 302 B6R0.6 C#CCCCCO MC424004 [1,0,1,0,0,0|0,0,2]=4 303 B6R0.6 C=CCCCCO CS10397 [1,0,1,0,0,0|0,0,2]=4 304 B6R0.6 CCCOCCCl MC428009 [1,0,1,0,0,0|1,0,0]=3 305 B6R0.6 COCCCCBr CS22933 [1,0,1,0,0,0|2,0,0]=4 306 B6R0.6 COCCCCCl MC428014 [1,0,1,0,0,0|2,0,0]=4 307 B6R0.6 ClCCOCCCl MC41873 [1,0,1,0,0,0|2,0,0]=4 308 B6R0.6 FCCCCCBr CS14708 [1,0,1,0,0,0|2,0,0]=4 309 B6R0.6 NCCCCCN CS19074 [1,0,1,0,0,0|2,0,0]=4 310 B6R0.6 OCCCCCCl CS14778 [1,0,1,0,0,0|1,0,0]=3 311 B6R0.6 OCCCCCO CS20549 [1,0,1,0,0,0|0,0,0]=2 312 B6R0.6 OCCOCCO MC41893 [1,0,1,0,0,0|1,0,0]=3 313 B6R0.6 SCCOCCS MC112783 [1,0,1,0,0,0|1,1,0]=4 314 B6R0.1 CCC(C)CCBr MC112369 [1,0,1,0,0,0|2,0,0]=4 315 B6R0.1 CCCC(C)CBr MC112368 [1,0,1,0,0,0|1,0,0]=3 316 B6R0.1 CCCC(O)CO CS20495 [1,0,1,0,0,0|0,0,0]=2 317 B6R0.1 CCOC(=O)CO CS11386 [1,0,1,0,0,0|1,0,1]=4 318 B6R0.1 OC(CBr)CCBr MC107100 [1,0,1,0,0,0|2,0,0]=4 319 B6R0.1 OC(CBr)CCBr MC107101 [1,0,1,0,0,0|2,0,0]=4 320 B6R0.1 OCCC(O)CO MC42234 [1,0,1,0,0,0|1,0,0]=3 321 B6R0.4 CC(C)CCCO MC428025 [1,0,1,0,0,0|2,0,0]=4 322 B6R0.4 CC(C)NCCN MC20461 [1,0,1,0,0,0|2,0,0]=4 323 B6R0.9 CCN(CC)CC MC426119 [1,0,1,0,0,0|2,0,0]=4 324 B6R0.9 CCP(CC)CC MC444861 [1,0,1,0,0,0|2,0,0]=4 325 B6R0.9 CCP(CC)CC MC444910 [1,0,1,0,0,0|2,0,0]=4 326 B6R0.9 CC[SiH](CC)CC MC41948 [1,0,1,0,0,0|1,1,0]=4 327 B6R0.9 COC(CBr)OC MC428001 [1,0,1,0,0,0|2,0,0]=4 328 B6R0.9 COC(CCl)OC MC428004 [1,0,1,0,0,0|2,0,0]=4 329 B6R0.9 COC(CN)OC MC428005 [1,0,1,0,0,0|2,0,0]=4 330 B6R1.1 C1=CCOCC1 MC427315 [2,0,0,0,0,0|0,0,2]=4 331 B6R1.1 C1=COCCC1 MC20500 [2,0,0,0,0,0|0,0,2]=4 332 B6R1.1 C1CCCCC1 MC41853 [2,0,0,0,0,0|1,0,0]=3 333 B6R1.1 C1CCNNC1 CS17893 [2,0,0,0,0,0|2,0,0]=4 334 B6R1.1 C1CC[NH2+]CC1 CS16333 [2,0,0,0,0,0|1,0,0]=3 335 B6R1.1 C1CNCCN1 MC41703 [2,0,0,0,0,0|2,0,0]=4 336 B6R1.1 C1COCCN1 MC20726 [2,0,0,0,0,0|1,0,0]=3 337 B6R1.1 C1CSCCN1 MC20759 [2,0,0,0,0,0|1,1,0]=4 338 B8R0.1 CCCC(C)CCCO MC112367 [0,1,1,0,0,0|1,0,0]=3 339 B8R0.4 C#CCCCCCCO CS10833 [0,1,1,0,0,0|1,0,0]=3 340 B8R0.4 CCCCCOCCO MC437002 [0,1,1,0,0,0|0,0,0]=2 341 B8R0.4 CCCCNCCCC CS11229 [0,1,1,0,0,0|2,0,0]=4 342 B8R0.4 COCCOCCOC MC41925 [0,1,1,0,0,0|1,0,0]=3 343 B8R0.4 OCCCCCCCBr CS13415 [0,1,1,0,0,0|1,0,0]=3 344 B8R0.4 OCCCNCCCO CS21826 [0,1,1,0,0,0|0,0,0]=2 345 B8R0.6 CCCCCC(O)CCl MC114490 [0,1,1,0,0,0|2,0,0]=4 346 B8R0.6 OCCCCC(O)CO MC41917 [0,1,1,0,0,0|0,0,0]=2 347 B8R0.6 OCCOCC(O)CO MC112470 [0,1,1,0,0,0|1,0,0]=3 348 B8R0.7 CCCCCCB(O)O MC31067 [0,1,1,0,0,0|2,0,0]=4 349 B8R0.7 COCCOCC(=O)O MC10458 [0,1,1,0,0,0|1,0,1]=4 350 B8R0.7 NCCCCCC(=O)O CS13381 [0,1,1,0,0,0|1,0,1]=4 351 B8R0.7 O=C(O)CCCCCBr CS18405 [0,1,1,0,0,0|1,0,1]=4 352 B8R0.3 O=CCC(O)C(O)CO CS21863 [0,1,1,0,0,0|1,0,1]=4 353 B8R0.8 CCCCC(N)B(O)O MC442653 [0,1,1,0,0,0|2,0,0]=4 354 B8R0.8 CCCCC(N)C(=O)O MC428079 [0,1,1,0,0,0|1,0,1]=4 355 B8R0.8 CCCCC(N)C(=O)O MC428113 [0,1,1,0,0,0|1,0,1]=4 356 B8R0.8 CCCCC(N)C(=O)O MC428121 [0,1,1,0,0,0|1,0,1]=4 357 B8R0.9 CC(C)NCC(O)CO MC437813 [0,1,1,0,0,0|1,0,0]=3 358 B8R0.9 CC(C)NCC(O)CO MC437814 [0,1,1,0,0,0|1,0,0]=3 359 B8R0.9 CC(C)NCC(O)CO MC445487 [0,1,1,0,0,0|1,0,0]=3 360 B8R0.19 CC(CO)NC(C)CO CS17166 [0,1,1,0,0,0|2,0,0]=4 361 B8R0.15 CCCC(NC)C(=O)O MC435490 [0,1,1,0,0,0|1,0,1]=4 362 B8R0.15 CCCC(NC)C(=O)O MC437925 [0,1,1,0,0,0|1,0,1]=4 363 B8R0.22 C#CC(OCC)OCC CS11884 [0,1,1,0,0,0|1,0,1]=4 364 B8R0.22 CCOC(CBr)OCC MC20525 [0,1,1,0,0,0|1,0,0]=3 365 B8R0.22 CCOC(CCl)OCC MC428003 [0,1,1,0,0,0|1,0,0]=3 366 B8R0.22 CCOC(CN)OCC MC428006 [0,1,1,0,0,0|1,0,0]=3 367 B8R0.22 CCOC(CO)OCC CS19208 [0,1,1,0,0,0|0,0,0]=2 368 B8R1.3 C=C1CCC(C)CC1 MC105701 [1,1,0,0,0,0|1,0,1]=4 369 B8R1.3 CC1CNC(C)CN1 CS14078 [1,1,0,0,0,0|2,0,0]=4 370 B8R1.3 CC1CNC(C)CN1 MC103638 [1,1,0,0,0,0|2,0,0]=4 371 B8R1.3 CC1COC(C)CN1 MC107001 [1,1,0,0,0,0|1,0,0]=3 372 B8R1.3 CC1COC(C)CN1 MC107002 [1,1,0,0,0,0|1,0,0]=3 373 B8R1.3 CN1CCC(Cl)CC1 CS18485 [1,1,0,0,0,0|2,0,0]=4 374 B8R1.3 CN1CCC(N)CC1 CS18628 [1,1,0,0,0,0|2,0,0]=4 375 B8R1.3 CN1CCC(O)CC1 CS13491 [1,1,0,0,0,0|2,0,0]=4 376 B8R1.3 NC1CCC(N)CC1 CS18629 [1,1,0,0,0,0|2,0,0]=4 377 B8R1.3 NC1CCC(N)CC1 MC20732 [1,1,0,0,0,0|2,0,0]=4 378 B8R1.3 NC1CCC(O)CC1 CS12038 [1,1,0,0,0,0|1,0,0]=3 379 B8R1.3 NC1CCC(O)CC1 CS15381 [1,1,0,0,0,0|1,0,0]=3 380 B8R1.3 NC1CCC(O)CC1 CS18581 [1,1,0,0,0,0|1,0,0]=3 381 B8R1.3 NC1CCC(O)CC1 CS18592 [1,1,0,0,0,0|1,0,0]=3 382 B8R1.3 O=C1CCC(O)CC1 CS22889 [1,1,0,0,0,0|1,0,1]=4 383 B8R1.3 OC1CCC(O)CC1 CS20531 [1,1,0,0,0,0|1,0,0]=3 384 B8R1.3 OC1CCC(O)CC1 MC103601 [1,1,0,0,0,0|1,0,0]=3 385 B8R1.3 OC1COC(O)CO1 MC440451 [1,1,0,0,0,0|1,0,0]=3 386 B8R1.3 OC1CSC(O)CS1 MC41677 [1,1,0,0,0,0|1,1,0]=4 387 B8R1.4 CC1=CC(O)CCC1 MC111652 [1,1,0,0,0,0|1,0,1]=4 388 B8R1.4 CC1CC(=O)CCN1 MC101989 [1,1,0,0,0,0|1,0,1]=4 389 B8R1.4 CC1CC(=O)CCN1 MC103769 [1,1,0,0,0,0|1,0,1]=4 390 B8R1.4 CC1CC(=O)CCN1 MC444193 [1,1,0,0,0,0|1,0,1]=4 391 B8R1.4 CC1CC(=O)CCO1 MC103799 [1,1,0,0,0,0|0,0,1]=3 392 B8R1.4 CC1CC(=O)CCO1 MC103800 [1,1,0,0,0,0|0,0,1]=3 393 B8R1.4 CC1CC(=O)CCO1 MC31001 [1,1,0,0,0,0|0,0,1]=3 394 B8R1.4 CC1CC(O)CCN1 MC102122 [1,1,0,0,0,0|1,0,0]=3 395 B8R1.4 CC1CC(O)CCN1 MC102123 [1,1,0,0,0,0|1,0,0]=3 396 B8R1.4 CC1CC(O)CCN1 MC102289 [1,1,0,0,0,0|1,0,0]=3 397 B8R1.4 CC1CC(O)CCO1 MC31218 [1,1,0,0,0,0|0,0,0]=2 398 B8R1.4 CC1CCNC(C)C1 CS21125 [1,1,0,0,0,0|1,0,0]=3 399 B8R1.4 CC1CN(C)CCN1 MC102815 [1,1,0,0,0,0|2,0,0]=4 400 B8R1.4 CC1CNCC(C)C1 CS14191 [1,1,0,0,0,0|2,0,0]=4 401 B8R1.4 CC1CNCC(C)N1 CS18625 [1,1,0,0,0,0|2,0,0]=4 402 B8R1.4 CC1CNCC(C)N1 CS21187 [1,1,0,0,0,0|2,0,0]=4 403 B8R1.4 CC1CNCC(C)N1 MC103637 [1,1,0,0,0,0|2,0,0]=4 404 B8R1.4 CC1CNCC(C)N1 MC104476 [1,1,0,0,0,0|2,0,0]=4 405 B8R1.4 CC1CNCC(C)N1 MC444588 [1,1,0,0,0,0|2,0,0]=4 406 B8R1.4 CC1CNCC(C)O1 MC121304 [1,1,0,0,0,0|1,0,0]=3 407 B8R1.4 CC1CNCC(C)O1 MC428243 [1,1,0,0,0,0|1,0,0]=3 408 B8R1.4 CC1CNCC(C)O1 MC444593 [1,1,0,0,0,0|1,0,0]=3 409 B8R1.4 CC1COCC(C)N1 MC103641 [1,1,0,0,0,0|2,0,0]=4 410 B8R1.4 CC1COCC(C)N1 MC104538 [1,1,0,0,0,0|2,0,0]=4 411 B8R1.4 CC1COCC(C)N1 MC105667 [1,1,0,0,0,0|2,0,0]=4 412 B8R1.4 CC1COCC(C)N1 MC105668 [1,1,0,0,0,0|2,0,0]=4 413 B8R1.4 CC1COCC(C)N1 MC113396 [1,1,0,0,0,0|2,0,0]=4 414 B8R1.4 CN1CCCC(N)C1 MC102357 [1,1,0,0,0,0|2,0,0]=4 415 B8R1.4 CN1CCCC(N)C1 MC444039 [1,1,0,0,0,0|2,0,0]=4 416 B8R1.4 CN1CCCC(N)C1 MC444227 [1,1,0,0,0,0|2,0,0]=4 417 B8R1.4 CN1CCCC(O)C1 MC445500 [1,1,0,0,0,0|2,0,0]=4 418 B8R1.4 NC1CCCC(N)C1 CS17066 [1,1,0,0,0,0|2,0,0]=4 419 B8R1.4 NC1CCCC(O)C1 CS17342 [1,1,0,0,0,0|1,0,0]=3 420 B8R1.4 NC1CCCC(O)C1 CS18558 [1,1,0,0,0,0|1,0,0]=3 421 B8R1.4 NC1CCCC(O)C1 MC116000 [1,1,0,0,0,0|1,0,0]=3 422 B8R1.4 NC1CCCC(O)C1 MC116001 [1,1,0,0,0,0|1,0,0]=3 423 B8R1.5 BrC1CCCCC1Br CS20488 [1,1,0,0,0,0|2,0,0]=4 424 B8R1.5 CC1CCNCC1=O MC105562 [1,1,0,0,0,0|2,0,0]=4 425 B8R1.5 CC1CCNCC1O MC103744 [1,1,0,0,0,0|2,0,0]=4 426 B8R1.5 CC1CCNCC1O MC103745 [1,1,0,0,0,0|2,0,0]=4 427 B8R1.5 CC1CCNCC1O MC105563 [1,1,0,0,0,0|2,0,0]=4 428 B8R1.5 CC1CCNCC1O MC105564 [1,1,0,0,0,0|2,0,0]=4 429 B8R1.5 CC1CCNCC1O MC444275 [1,1,0,0,0,0|2,0,0]=4 430 B8R1.5 CC1CNCCC1=O MC106748 [1,1,0,0,0,0|2,0,0]=4 431 B8R1.5 CC1CNCCN1C MC444011 [1,1,0,0,0,0|2,0,0]=4 432 B8R1.5 CC1CNCCN1C MC444015 [1,1,0,0,0,0|2,0,0]=4 433 B8R1.5 CC1COCCC1=O MC425868 [1,1,0,0,0,0|2,0,0]=4 434 B8R1.5 CC1COCCC1N MC100869 [1,1,0,0,0,0|2,0,0]=4 435 B8R1.5 CC1COCCC1N MC104730 [1,1,0,0,0,0|2,0,0]=4 436 B8R1.5 NC1CCCCC1N CS11826 [1,1,0,0,0,0|2,0,0]=4 437 B8R1.5 NC1CCCCC1N CS22821 [1,1,0,0,0,0|2,0,0]=4 438 B8R1.5 NC1CCCCC1O CS12403 [1,1,0,0,0,0|1,0,0]=3 439 B8R1.5 NC1CCCCC1O CS12547 [1,1,0,0,0,0|1,0,0]=3 440 B8R1.5 NC1CCCCC1O CS12548 [1,1,0,0,0,0|1,0,0]=3 441 B8R1.5 NC1CCCCC1O CS14928 [1,1,0,0,0,0|1,0,0]=3 442 B8R1.5 NC1CCCCC1O CS18590 [1,1,0,0,0,0|1,0,0]=3 443 B8R1.5 NC1CCCCC1O MC20710 [1,1,0,0,0,0|1,0,0]=3 444 B8R1.5 NC1CCCCC1O MC20824 [1,1,0,0,0,0|1,0,0]=3 445 B8R1.5 NC1CCOCC1O MC102103 [1,1,0,0,0,0|2,0,0]=4 446 B8R1.5 NC1CCOCC1O MC102104 [1,1,0,0,0,0|2,0,0]=4 447 B8R1.5 NC1CCOCC1O MC102509 [1,1,0,0,0,0|2,0,0]=4 448 B8R1.5 NC1COCCC1O MC427129 [1,1,0,0,0,0|2,0,0]=4 449 B8R1.5 O=C1NCCCC1O CS19689 [1,1,0,0,0,0|2,0,0]=4 450 B8R1.5 O=C1OCCCC1O CS16147 [1,1,0,0,0,0|0,0,2]=4 451 B8R1.5 OC1CCCCC1F MC107093 [1,1,0,0,0,0|1,0,0]=3 452 B8R1.5 OC1CCCCC1O CS12029 [1,1,0,0,0,0|1,0,0]=3 453 B8R1.5 OC1CCNCC1F MC101962 [1,1,0,0,0,0|2,0,0]=4 454 B8R1.5 OC1CCNCC1F MC103718 [1,1,0,0,0,0|2,0,0]=4 455 B8R1.5 OC1CCNCC1O MC101991 [1,1,0,0,0,0|2,0,0]=4 456 B8R1.5 OC1CCNCC1O MC111756 [1,1,0,0,0,0|2,0,0]=4 457 B8R1.5 OC1CCNCC1O MC116420 [1,1,0,0,0,0|2,0,0]=4 458 B8R1.5 OC1CNCCC1F MC101961 [1,1,0,0,0,0|2,0,0]=4 459 B8R1.72 CC1(C)CCNCC1 CS13819 [1,1,0,0,0,0|2,0,0]=4 460 B8R1.72 CC1(C)CNCCN1 CS18507 [1,1,0,0,0,0|2,0,0]=4 461 B8R1.72 CC1(C)CNCCO1 MC100077 [1,1,0,0,0,0|1,0,0]=3 462 B8R1.72 CC1(C)COCCN1 CS21909 [1,1,0,0,0,0|2,0,0]=4 463 B8R1.72 CC1(N)CCOCC1 CS14346 [1,1,0,0,0,0|2,0,0]=4 464 B8R1.72 CC1(N)CCOCC1 MC106879 [1,1,0,0,0,0|2,0,0]=4 465 B8R1.72 CC1(O)CCCNC1 MC444294 [1,1,0,0,0,0|2,0,0]=4 466 B8R1.72 CC1(O)CCNCC1 MC443374 [1,1,0,0,0,0|2,0,0]=4 467 B8R1.72 CC1(O)CCOCC1 CS12641 [1,1,0,0,0,0|2,0,0]=4 468 B8R1.72 OC1(O)CCNCC1 CS10106 [1,1,0,0,0,0|2,0,0]=4 469 B8R1.1 CN1CCC(CN)C1 MC104144 [0,1,0,0,1,0|2,0,0]=4 470 B8R1.1 CN1CCC(CN)C1 MC105308 [0,1,0,0,1,0|2,0,0]=4 471 B8R1.1 CN1CCC(CO)C1 MC102370 [0,1,0,0,1,0|1,0,0]=3 472 B8R1.1 CN1CCC(CO)C1 MC102371 [0,1,0,0,1,0|1,0,0]=3 473 B8R1.1 O=C1CCC(CO)N1 CS13834 [0,1,0,0,1,0|1,0,1]=4 474 B8R1.1 O=C1CCC(CO)N1 CS15562 [0,1,0,0,1,0|1,0,1]=4 475 B8R1.1 OCC1CC(O)CN1 CS20184 [0,1,0,0,1,0|1,0,0]=3 476 B8R1.7 CC(=O)C1CCCC1 CS20673 [0,1,0,0,1,0|0,0,2]=4 477 B8R1.7 CC(=O)C1CCCC1 MC445790 [0,1,0,0,1,0|0,0,2]=4 478 B8R1.7 O=C(O)C1CCCN1 CS18287 [0,1,0,0,1,0|1,0,1]=4 479 B8R1.7 O=C(O)C1CCCN1 CS18742 [0,1,0,0,1,0|1,0,1]=4 480 B8R1.7 O=C(O)C1CCCN1 CS22249 [0,1,0,0,1,0|1,0,1]=4 481 B8R1.7 O=C(O)C1CCCO1 CS16192 [0,1,0,0,1,0|0,0,1]=3 482 B8R1.7 O=C(O)C1CCCO1 CS18232 [0,1,0,0,1,0|0,0,1]=3 483 B8R1.7 O=C(O)C1CCCO1 MC20393 [0,1,0,0,1,0|0,0,1]=3 484 B8R1.7 O=C(O)C1CCNC1 CS18444 [0,1,0,0,1,0|1,0,1]=4 485 B8R1.7 O=C(O)C1CCNC1 CS19637 [0,1,0,0,1,0|1,0,1]=4 486 B8R1.7 O=C(O)C1CCOC1 CS19475 [0,1,0,0,1,0|1,0,1]=4 487 B8R1.7 O=C(O)C1CCOC1 MC444586 [0,1,0,0,1,0|1,0,1]=4 488 B8R1.7 OB(O)C1CCOC1 MC114068 [0,1,0,0,1,0|2,0,0]=4 489 B8R1.8 BrCCC1OCCO1 CS18251 [0,1,0,0,1,0|2,0,0]=4 490 B8R1.8 Br[Zn]CC1OCCO1 MC121331 [0,1,0,0,1,0|2,0,0]=4 491 B8R1.8 C#CCN1CCCC1 MC443168 [0,1,0,0,1,0|2,0,0]=4 492 B8R1.8 C#CCN1CCCC1 MC443717 [0,1,0,0,1,0|2,0,0]=4 493 B8R1.8 COCC1CCCN1 CS20310 [0,1,0,0,1,0|1,0,0]=3 494 B8R1.8 COCC1CCNC1 MC104848 [0,1,0,0,1,0|1,0,0]=3 495 B8R1.8 COCC1CCNC1 MC105535 [0,1,0,0,1,0|1,0,0]=3 496 B8R1.8 ClCCN1CCCC1 CS15769 [0,1,0,0,1,0|2,0,0]=4 497 B8R1.8 ICCC1CCCC1 MC106254 [0,1,0,0,1,0|1,0,0]=3 498 B8R1.8 NCCC1CCCC1 CS15909 [0,1,0,0,1,0|1,0,0]=3 499 B8R1.8 OCCC1CCCN1 MC103847 [0,1,0,0,1,0|1,0,0]=3 500 B8R1.8 OCCC1CCCN1 MC106622 [0,1,0,0,1,0|1,0,0]=3 501 B8R1.11 CN1CCCC1CN MC444032 [0,1,0,0,1,0|2,0,0]=4 502 B8R1.11 CN1CCCC1CN MC444049 [0,1,0,0,1,0|2,0,0]=4 503 B8R1.11 CN1CCCC1CO CS14186 [0,1,0,0,1,0|1,0,0]=3 504 B8R1.11 CN1CCCC1CO CS22816 [0,1,0,0,1,0|1,0,0]=3 505 B8R1.11 N#CC1CCCC1N MC104396 [0,1,0,0,1,0|1,0,1]=4 506 B8R1.11 O=C1NCCC1CO MC104392 [0,1,0,0,1,0|1,0,1]=4 507 B8R1.52 CC1(CBr)CCOC1 MC104228 [0,1,0,0,1,0|2,0,0]=4 508 B8R1.52 CC1(CN)CCNC1 MC100100 [0,1,0,0,1,0|2,0,0]=4 509 B8R1.52 CC1(CN)CCOC1 MC103499 [0,1,0,0,1,0|2,0,0]=4 510 B8R1.52 CC1(CO)CCOC1 MC104227 [0,1,0,0,1,0|1,0,0]=3 511 B8R1.52 NC1(CO)CCOC1 MC103469 [0,1,0,0,1,0|1,0,0]=3 512 B8R1.52 NCC1(O)CCCC1 CS15390 [0,1,0,0,1,0|1,0,0]=3 513 B8R1.52 NCC1(O)CCCC1 MC31148 [0,1,0,0,1,0|1,0,0]=3 514 B8R1.52 OC1(CF)CCNC1 MC101973 [0,1,0,0,1,0|2,0,0]=4 515 B8R1.52 OCC1(F)CCCC1 MC443810 [0,1,0,0,1,0|0,0,0]=2 516 B8R1.52 OCC1(O)CCNC1 MC104779 [0,1,0,0,1,0|1,0,0]=3 517 B10R1.348 O=C(O)C1CCCCCC1 CS20527 [0,1,0,0,0,1|1,0,1]=4 518 B10R1.1 COCC1CCC(N)CC1 MC103330 [0,2,0,0,0,0|1,0,0]=3 519 B10R1.1 CSCC1CCC(N)CC1 MC112053 [0,2,0,0,0,0|1,1,0]=4 520 B10R1.1 N#CCC1CCC(N)CC1 MC106227 [0,2,0,0,0,0|2,0,0]=4 521 B10R1.3 CCN1CCC(CO)CC1 CS14786 [0,2,0,0,0,0|2,0,0]=4 522 B10R1.3 CNC1CCC(CO)CC1 MC103327 [0,2,0,0,0,0|1,0,0]=3 523 B10R1.3 OCC1CCC(CO)CC1 CS20552 [0,2,0,0,0,0|1,0,0]=3 524 B10R1.13 CC1CCC(C(C)C)CC1 MC428284 [0,2,0,0,0,0|2,0,0]=4 525 B10R1.13 NC1CCC(C(=O)O)CC1 CS12037 [0,2,0,0,0,0|1,0,1]=4 526 B10R1.13 NC1CCC(C(=O)O)CC1 CS14216 [0,2,0,0,0,0|1,0,1]=4 527 B10R1.13 NC1CCC(C(=O)O)CC1 CS14217 [0,2,0,0,0,0|1,0,1]=4 528 B10R1.13 O=C(O)C1CCC(O)CC1 MC428316 [0,2,0,0,0,0|1,0,1]=4 529 B10R1.13 O=C(O)C1CCC(O)CN1 MC102531 [0,2,0,0,0,0|1,0,1]=4 530 B10R1.13 O=C(O)C1CCC(O)CN1 MC103741 [0,2,0,0,0,0|1,0,1]=4 531 B10R1.13 O=C(O)C1CCC(O)CN1 MC105262 [0,2,0,0,0,0|1,0,1]=4 532 B10R1.26 FC1(F)CCC(CBr)CC1 MC430090 [0,2,0,0,0,0|2,0,0]=4 533 B10R1.26 OCC1CCC(F)(F)CC1 MC432514 [0,2,0,0,0,0|1,0,0]=3 534 B10R1.10 CCCC1CCCC(O)C1 MC106169 [0,2,0,0,0,0|2,0,0]=4 535 B10R1.10 COCC1CCCC(=O)C1 MC106177 [0,2,0,0,0,0|1,0,1]=4 536 B10R1.113 CC1CCNC(C(=O)O)C1 CS13084 [0,2,0,0,0,0|1,0,1]=4 537 B10R1.113 NC1CCCC(C(=O)O)C1 CS14264 [0,2,0,0,0,0|1,0,1]=4 538 B10R1.113 NC1CCCC(C(=O)O)C1 CS17221 [0,2,0,0,0,0|1,0,1]=4 539 B10R1.113 NC1CCCC(C(=O)O)C1 CS17237 [0,2,0,0,0,0|1,0,1]=4 540 B10R1.113 NC1CCCC(C(=O)O)C1 CS19619 [0,2,0,0,0,0|1,0,1]=4 541 B10R1.113 NC1CCCC(C(=O)O)C1 MC105219 [0,2,0,0,0,0|1,0,1]=4 542 B10R1.113 O=C(O)C1CC(O)CCN1 MC445804 [0,2,0,0,0,0|1,0,1]=4 543 B10R1.172 ICC1COCC(CI)O1 MC102541 [0,2,0,0,0,0|2,0,0]=4 544 B10R1.15 CCC(N)C1CCCCC1 CS18551 [0,2,0,0,0,0|2,0,0]=4 545 B10R1.15 COC(=O)C1CCCCC1 CS22810 [0,2,0,0,0,0|1,0,1]=4 546 B10R1.15 COC(=O)C1CCCCN1 CS14321 [0,2,0,0,0,0|1,0,1]=4 547 B10R1.15 COC(=O)C1CCCCN1 CS19622 [0,2,0,0,0,0|1,0,1]=4 548 B10R1.15 COC(=O)C1CCCCN1 CS19623 [0,2,0,0,0,0|1,0,1]=4 549 B10R1.15 COC(=O)C1CNCCO1 CS15141 [0,2,0,0,0,0|1,0,1]=4 550 B10R1.15 COC(=O)C1CNCCO1 CS15369 [0,2,0,0,0,0|1,0,1]=4 551 B10R1.15 COC(=O)C1CNCCO1 MC444510 [0,2,0,0,0,0|1,0,1]=4 552 B10R1.15 COC(=O)C1CNCCO1 MC444511 [0,2,0,0,0,0|1,0,1]=4 553 B10R1.15 NC(CO)C1CCCCC1 CS11201 [0,2,0,0,0,0|1,0,0]=3 554 B10R1.15 NCC(=O)C1CCCCC1 MC103431 [0,2,0,0,0,0|2,0,0]=4 555 B10R1.61 CN1CCCCC1C(=O)O MC20434 [0,2,0,0,0,0|1,0,1]=4 556 B10R1.61 O=C(O)C1CCCCC1O CS21597 [0,2,0,0,0,0|1,0,1]=4 557 B10R1.17 CCNCC1CCCCC1 MC431466 [0,2,0,0,0,0|2,0,0]=4 558 B10R1.17 COCCC1CCCCN1 MC425896 [0,2,0,0,0,0|1,0,0]=3 559 B10R1.17 ICCCC1CCCCC1 MC111977 [0,2,0,0,0,0|2,0,0]=4 560 B10R1.18 CC(O)CC1CCNCC1 MC111203 [0,2,0,0,0,0|2,0,0]=4 561 B10R1.18 CN(C)CC1CNCCO1 CS13564 [0,2,0,0,0,0|2,0,0]=4 562 B10R1.18 O=C(O)CC1CCCCC1 CS10565 [0,2,0,0,0,0|1,0,0]=3 563 B10R1.18 O=C(O)CC1CCCNC1 CS15743 [0,2,0,0,0,0|2,0,0]=4 564 B10R1.18 O=C(O)CC1CCNCC1 CS10136 [0,2,0,0,0,0|2,0,0]=4 565 B10R1.18 O=C(O)CC1CCOCC1 CS19613 [0,2,0,0,0,0|2,0,0]=4 566 B10R1.18 O=C(O)CC1COCCN1 CS14263 [0,2,0,0,0,0|2,0,0]=4 567 B10R1.18 O=C(O)CC1COCCN1 MC104152 [0,2,0,0,0,0|2,0,0]=4 568 B10R1.20 OCC1CCCCC1CO MC31260 [0,2,0,0,0,0|1,0,0]=3 569 B10R1.38 OCC1CCNCC1(F)F MC104795 [0,2,0,0,0,0|2,0,0]=4 570 B8R1.10 OCCOC1CCC1 MC121362 [0,0,1,1,0,0|0,0,0]=2 571 B8R1.22 CC1CCNCCN1 MC104490 [0,0,1,1,0,0|2,0,0]=4 572 B8R1.22 NC1CCCCNC1 CS18624 [0,0,1,1,0,0|2,0,0]=4 573 B8R1.22 NC1CCCCNC1 MC104803 [0,0,1,1,0,0|2,0,0]=4 574 B8R1.22 NC1CCCCNC1 MC425605 [0,0,1,1,0,0|2,0,0]=4 575 B8R1.49 C1=CCCCCCC1 MC445004 [0,0,1,1,0,0|2,0,0]=4 576 B8R1.60 CCC1(CO)COC1 MC440257 [0,0,1,1,0,0|2,0,0]=4 577 B8R1.60 CNC1(CO)COC1 MC102481 [0,0,1,1,0,0|2,0,0]=4 578 B8R1.60 COC1(CN)CNC1 MC105617 [0,0,1,1,0,0|2,0,0]=4 579 B8R1.60 OCC1(CO)CCC1 MC121123 [0,0,1,1,0,0|2,0,0]=4 580 B8R2.11 C12CNCC1C2O MC102023 [1,0,0,1,0,0|2,0,0]=4 581 B8R2.18 NC1CC2CC2C1 MC103540 [1,0,0,1,0,0|2,0,0]=4 582 B8R2.23 C1NCC2CC1C2 MC115688 [1,0,0,1,0,0|2,0,0]=4 583 B8R2.23 C1NCC2CC1O2 MC102903 [1,0,0,1,0,0|1,0,0]=3 584 B8R2.23 C1OCC2CC1N2 MC116488 [1,0,0,1,0,0|2,0,0]=4 585 B8R2.25 C1CC2CC2CN1 MC105241 [1,0,0,1,0,0|2,0,0]=4 586 B8R2.25 C1CC2OC2CO1 MC427300 [1,0,0,1,0,0|2,0,0]=4 587 B8R2.25 C1CCC2OC2C1 MC41785 [1,0,0,1,0,0|1,0,0]=3 588 B8R2.25 C1COC2CC2N1 MC106168 [1,0,0,1,0,0|1,0,0]=3 589 B8R2.34 C1=CC2CCC1C2 CS11805 [1,0,0,1,0,0|1,0,1]=4 590 B8R2.34 C1CC2CCC1N2 CS10780 [1,0,0,1,0,0|2,0,0]=4 591 B8R2.34 C1CC2CCC1N2 MC113036 [1,0,0,1,0,0|2,0,0]=4 592 B8R2.34 C1OC2CNC1C2 CS12565 [1,0,0,1,0,0|1,0,0]=3 593 B8R2.34 C1OC2CNC1C2 MC102221 [1,0,0,1,0,0|1,0,0]=3 594 B8R2.34 C1OC2CNC1C2 MC103903 [1,0,0,1,0,0|1,0,0]=3 595 B8R2.34 C1OC2CNC1C2 MC105588 [1,0,0,1,0,0|1,0,0]=3 596 B8R2.34 C1OC2CNC1C2 MC31167 [1,0,0,1,0,0|1,0,0]=3 597 B8R2.34 C1OC2CNC1C2 MC444007 [1,0,0,1,0,0|1,0,0]=3 598 B8R2.22 C1CC2CNCC12 MC103502 [0,0,0,1,1,0|2,0,0]=4 599 B8R2.22 C1CC2CNCC12 MC105043 [0,0,0,1,1,0|2,0,0]=4 600 B8R2.55 C1CC2(CC2)CN1 MC103447 [0,0,0,1,1,0|2,0,0]=4 601 B8R2.55 C1CNC2(C1)CC2 MC103449 [0,0,0,1,1,0|2,0,0]=4 602 B10R2.41 FC1C2CCC1CNC2 MC103710 [0,0,0,1,0,1|2,0,0]=4 603 B10R2.41 O=C1C2CNCC1OC2 MC104897 [0,0,0,1,0,1|0,0,2]=4 604 B10R2.41 OC1C2CCC1CNC2 MC104344 [0,0,0,1,0,1|1,0,0]=3 605 B10R2.41 OC1C2CCC1CNC2 MC104345 [0,0,0,1,0,1|1,0,0]=3 606 B10R2.41 OC1C2CCC1CNC2 MC444239 [0,0,0,1,0,1|1,0,0]=3 607 B10R2.41 OC1C2CNCC1OC2 MC104898 [0,0,0,1,0,1|0,0,0]=2 608 B10R2.41 OC1C2CNCC1OC2 MC104899 [0,0,0,1,0,1|0,0,0]=2 609 B10R2.41 OC1C2CNCC1OC2 MC104900 [0,0,0,1,0,1|0,0,0]=2 610 B10R2.138 C1CC2CCC(CN1)O2 MC121376 [0,0,0,1,0,1|1,0,0]=3 611 B10R2.409 C1CN2CCC(CC2)N1 MC429044 [0,0,0,1,0,1|2,0,0]=4 612 B10R2.62 CN1CC2CCC1CN2 MC105410 [0,1,0,1,0,0|2,0,0]=4 613 B10R2.62 OC1CC2CCC1CC2 MC105832 [0,1,0,1,0,0|1,0,0]=3 614 B10R2.62 OC1CC2CCC1NC2 MC101978 [0,1,0,1,0,0|1,0,0]=3 615 B10R2.62 OC1CN2CCC1CC2 CS14329 [0,1,0,1,0,0|2,0,0]=4 616 B10R2.178 OC1CCC2CCC1N2 MC105540 [0,1,0,1,0,0|2,0,0]=4 617 B10R2.178 OC1CCC2CCC1N2 MC105545 [0,1,0,1,0,0|2,0,0]=4 618 B10R2.178 OC1CCC2CCC1N2 MC105546 [0,1,0,1,0,0|2,0,0]=4 619 B10R2.61 OC1CC2CCCC1N2 MC105532 [0,1,0,1,0,0|1,0,0]=3 620 B10R2.61 OC1CC2CCCC1N2 MC105558 [0,1,0,1,0,0|1,0,0]=3 621 B10R2.61 OC1CC2CCCC1N2 MC105559 [0,1,0,1,0,0|1,0,0]=3 622 B10R2.71 FC1CC2CCC(C1)N2 MC103918 [0,1,0,1,0,0|2,0,0]=4 623 B10R2.71 NC1CC2CCC(C1)C2 MC103529 [0,1,0,1,0,0|2,0,0]=4 624 B10R2.71 NC1CC2CCC(C1)O2 MC105402 [0,1,0,1,0,0|1,0,0]=3 625 B10R2.71 NC1CC2CCC(C1)O2 MC105405 [0,1,0,1,0,0|1,0,0]=3 626 B10R2.71 OC1CC2CCC(C1)N2 CS15523 [0,1,0,1,0,0|2,0,0]=4 627 B10R2.71 OC1CC2CCC(C1)N2 MC444464 [0,1,0,1,0,0|2,0,0]=4 628 B10R2.71 OC1CC2CCC(C1)N2 MC444498 [0,1,0,1,0,0|2,0,0]=4 629 B10R2.71 OC1CC2CCC(C1)O2 MC105401 [0,1,0,1,0,0|1,0,0]=3 630 B10R2.71 OC1CC2CCC(C1)O2 MC105403 [0,1,0,1,0,0|1,0,0]=3 631 B10R2.71 OC1CC2CCC(C1)O2 MC105404 [0,1,0,1,0,0|1,0,0]=3 632 B10R2.408 C1CC2CCCC(C1)N2 MC102106 [0,1,0,1,0,0|2,0,0]=4 633 B10R2.408 C1CC2CNCC(C1)C2 MC121179 [0,1,0,1,0,0|2,0,0]=4 634 B10R2.408 C1CC2COCC(C1)N2 MC105507 [0,1,0,1,0,0|1,0,0]=3 635 B10R2.425 OCC12CC(CCN1)C2 MC105620 [0,1,0,1,0,0|1,0,0]=3 636 B10R2.534 NC1CCCC2(CC2)C1 MC105411 [0,1,0,1,0,0|2,0,0]=4 637 B10R2.196 ClC1(Cl)C2CCCCC21 MC115404 [0,1,0,1,0,0|2,0,0]=4 638 B10R2.355 O=C(O)C1NCC2CC21 MC100068 [0,1,0,1,0,0|1,0,1]=4 639 B10R2.355 O=C(O)C1NCC2CC21 MC100069 [0,1,0,1,0,0|1,0,1]=4 640 B10R2.355 O=C(O)C1NCC2CC21 MC103380 [0,1,0,1,0,0|1,0,1]=4 641 B10R2.355 O=C(O)C1NCC2CC21 MC103381 [0,1,0,1,0,0|1,0,1]=4 642 B10R2.355 O=C(O)C1NCC2CC21 MC105643 [0,1,0,1,0,0|1,0,1]=4 643 B10R2.355 O=C(O)C1NCC2CC21 MC105644 [0,1,0,1,0,0|1,0,1]=4 644 B10R2.357 O=C(O)C1CC2CC2C1 MC103539 [0,1,0,1,0,0|1,0,1]=4 645 B10R2.357 O=C(O)C1CC2CC2N1 MC103441 [0,1,0,1,0,0|1,0,1]=4 646 B10R2.357 O=C(O)C1CC2CC2N1 MC105463 [0,1,0,1,0,0|1,0,1]=4 647 B10R2.7 C1CCC2CNCC2C1 MC445197 [0,1,0,1,0,0|2,0,0]=4 648 B10R2.7 C1CNC2CCCC2C1 MC425895 [0,1,0,1,0,0|2,0,0]=4 649 B10R2.7 C1CNC2CNCC2C1 CS13479 [0,1,0,1,0,0|2,0,0]=4 650 B10R2.7 C1CNC2CNCC2C1 CS14925 [0,1,0,1,0,0|2,0,0]=4 651 B10R2.7 C1CNC2CNCC2C1 MC431498 [0,1,0,1,0,0|2,0,0]=4 652 B10R2.7 C1COC2CNCC2N1 MC110914 [0,1,0,1,0,0|2,0,0]=4 653 B10R2.7 C1COC2CNCC2O1 MC425107 [0,1,0,1,0,0|2,0,0]=4 654 B10R2.160 OCC1C2CNCC1C2 MC102429 [0,1,0,1,0,0|2,0,0]=4 655 B10R2.484 C1CC2(C1)CNCCO2 MC104907 [0,1,0,1,0,0|2,0,0]=4 656 B10R2.484 C1CC2(CCN1)CCO2 MC444134 [0,1,0,1,0,0|2,0,0]=4 657 B10R2.484 C1CC2(CCN1)COC2 MC102904 [0,1,0,1,0,0|2,0,0]=4 658 B10R2.484 C1CC2(CCN1)COC2 MC444197 [0,1,0,1,0,0|2,0,0]=4 659 B10R2.484 C1CCC2(CC1)CCN2 MC104801 [0,1,0,1,0,0|2,0,0]=4 660 B10R2.484 C1CCC2(CC1)CNC2 MC105258 [0,1,0,1,0,0|2,0,0]=4 661 B10R2.484 C1CCC2(CC1)CNC2 MC428168 [0,1,0,1,0,0|2,0,0]=4 662 B10R2.484 C1CCC2(CCC2)NC1 MC101963 [0,1,0,1,0,0|2,0,0]=4 663 B10R2.484 C1CCC2(CNC2)OC1 MC102343 [0,1,0,1,0,0|1,0,0]=3 664 B10R2.484 C1CCC2(COC2)NC1 MC102905 [0,1,0,1,0,0|1,0,0]=3 665 B10R2.484 C1CNCC2(C1)CCO2 MC102069 [0,1,0,1,0,0|2,0,0]=4 666 B10R2.484 C1CNCC2(C1)CCO2 MC115791 [0,1,0,1,0,0|2,0,0]=4 667 B10R2.484 C1CNCC2(C1)COC2 MC112967 [0,1,0,1,0,0|2,0,0]=4 668 B10R2.484 C1CNCC2(C1)COC2 MC121226 [0,1,0,1,0,0|2,0,0]=4 669 B10R2.484 C1COC2(CN1)COC2 MC102470 [0,1,0,1,0,0|1,0,0]=3 670 B10R2.484 C1COCC2(COC2)N1 MC111596 [0,1,0,1,0,0|2,0,0]=4 671 B6R1.2 BrC1CCNC1 CS15742 [1,0,0,0,1,0|2,0,0]=4 672 B6R1.2 BrC1CCOC1 CS14643 [1,0,0,0,1,0|2,0,0]=4 673 B6R1.2 CC1=NCCC1 CS21664 [1,0,0,0,1,0|1,0,1]=4 674 B6R1.2 CC1CCCN1 CS18299 [1,0,0,0,1,0|1,0,0]=3 675 B6R1.2 CC1CCCN1 CS18800 [1,0,0,0,1,0|1,0,0]=3 676 B6R1.2 CC1CCCN1 CS19735 [1,0,0,0,1,0|1,0,0]=3 677 B6R1.2 CC1CCCN1 CS21699 [1,0,0,0,1,0|1,0,0]=3 678 B6R1.2 CC1CCCN1 CS21700 [1,0,0,0,1,0|1,0,0]=3 679 B6R1.2 CC1CCCN1 MC428345 [1,0,0,0,1,0|1,0,0]=3 680 B6R1.2 CC1CCCO1 MC20580 [1,0,0,0,1,0|0,0,0]=2 681 B6R1.2 FC1CCNC1 CS12894 [1,0,0,0,1,0|2,0,0]=4 682 B6R1.2 FC1CCNC1 CS14870 [1,0,0,0,1,0|2,0,0]=4 683 B6R1.2 FC1CCNC1 MC31003 [1,0,0,0,1,0|2,0,0]=4 684 B6R1.2 IC1CCOC1 MC101926 [1,0,0,0,1,0|2,0,0]=4 685 B6R1.2 NC1CCOC1 CS12010 [1,0,0,0,1,0|2,0,0]=4 686 B6R1.2 NC1CCOC1 CS13003 [1,0,0,0,1,0|2,0,0]=4 687 B6R1.2 NC1CCOC1 CS20366 [1,0,0,0,1,0|2,0,0]=4 688 B6R1.2 NC1CCOC1 MC443324 [1,0,0,0,1,0|2,0,0]=4 689 B6R1.2 NC1CCOC1 MC444237 [1,0,0,0,1,0|2,0,0]=4 690 B6R1.2 O=C1CCCC1 MC21085 [1,0,0,0,1,0|0,0,2]=4 691 B6R1.2 OC1CC=CC1 MC10342 [1,0,0,0,1,0|0,0,2]=4 692 B6R1.2 OC1CCNC1 CS16166 [1,0,0,0,1,0|1,0,0]=3 693 B6R1.2 OC1CCNC1 CS16635 [1,0,0,0,1,0|1,0,0]=3 694 B6R1.2 OC1CCNC1 CS16650 [1,0,0,0,1,0|1,0,0]=3 695 B6R1.2 OC1CCNC1 CS17407 [1,0,0,0,1,0|1,0,0]=3 696 B6R1.2 OC1CCNC1 CS21757 [1,0,0,0,1,0|1,0,0]=3 697 B6R1.2 OC1CCOC1 CS20284 [1,0,0,0,1,0|1,0,0]=3 698 B6R1.2 OC1CCOC1 MC42235 [1,0,0,0,1,0|1,0,0]=3 699 B6R1.2 OC1CCOC1 MC444279 [1,0,0,0,1,0|1,0,0]=3 700 B6R1.6 BrCC1CCC1 MC10470 [0,0,0,0,2,0|1,0,0]=3 701 B6R1.6 BrCC1CCO1 MC444177 [0,0,0,0,2,0|1,0,0]=3 702 B6R1.6 Cl[Zn]C1CCC1 MC121327 [0,0,0,0,2,0|2,0,0]=4 703 B6R1.6 ICC1COC1 MC101907 [0,0,0,0,2,0|2,0,0]=4 704 B6R1.6 NCC1CCC1 CS11178 [0,0,0,0,2,0|1,0,0]=3 705 B6R1.6 NCC1CCN1 MC121273 [0,0,0,0,2,0|2,0,0]=4 706 B6R1.6 NCC1CCO1 MC121118 [0,0,0,0,2,0|1,0,0]=3 707 B6R1.6 NCC1CNC1 MC105370 [0,0,0,0,2,0|2,0,0]=4 708 B6R1.6 NCC1COC1 MC10517 [0,0,0,0,2,0|2,0,0]=4 709 B6R1.6 NCC1CSC1 MC121257 [0,0,0,0,2,0|2,0,0]=4 710 B6R1.6 NNC1CCC1 MC111229 [0,0,0,0,2,0|2,0,0]=4 711 B6R1.6 OCC1CCN1 CS15230 [0,0,0,0,2,0|1,0,0]=3 712 B6R1.6 OCC1CCN1 MC102029 [0,0,0,0,2,0|1,0,0]=3 713 B6R1.6 OCC1CCN1 MC102030 [0,0,0,0,2,0|1,0,0]=3 714 B6R1.6 OCC1CCO1 CS15009 [0,0,0,0,2,0|0,0,0]=2 715 B6R1.6 OCC1CNC1 CS12891 [0,0,0,0,2,0|1,0,0]=3 716 B6R1.6 OCC1CNC1 MC444028 [0,0,0,0,2,0|1,0,0]=3 717 B6R1.6 OCC1COC1 CS14670 [0,0,0,0,2,0|1,0,0]=3