0 B7R1.3 BrC1CCCCC1 CS11079 [0,0,0,0,0,0|2,0,0]=2 1 B7R1.3 BrC1CCNCC1 CS18356 [0,0,0,0,0,0|3,0,0]=3 2 B7R1.3 BrC1CCOCC1 CS18193 [0,0,0,0,0,0|3,0,0]=3 3 B7R1.3 CC1CCCCN1 MC20418 [0,0,0,0,0,0|0,0,0]=0 4 B7R1.3 CC1CCCNC1 CS16133 [0,0,0,0,0,0|2,0,0]=2 5 B7R1.3 CC1CCCNC1 MC425227 [0,0,0,0,0,0|2,0,0]=2 6 B7R1.3 CC1CNCCN1 CS13503 [0,0,0,0,0,0|1,0,0]=1 7 B7R1.3 CC1CNCCN1 CS17164 [0,0,0,0,0,0|1,0,0]=1 8 B7R1.3 CC1CNCCN1 CS17167 [0,0,0,0,0,0|1,0,0]=1 9 B7R1.3 CC1CNCCO1 CS14515 [0,0,0,0,0,0|2,0,0]=2 10 B7R1.3 CC1CNCCO1 CS14521 [0,0,0,0,0,0|2,0,0]=2 11 B7R1.3 CC1CNCCO1 CS19299 [0,0,0,0,0,0|2,0,0]=2 12 B7R1.3 CC1CNCCO1 CS21692 [0,0,0,0,0,0|2,0,0]=2 13 B7R1.3 CC1CNCCO1 MC444038 [0,0,0,0,0,0|2,0,0]=2 14 B7R1.3 CC1CNCCO1 MC444192 [0,0,0,0,0,0|2,0,0]=2 15 B7R1.3 CC1COCCN1 CS14856 [0,0,0,0,0,0|1,0,0]=1 16 B7R1.3 CC1COCCN1 CS20285 [0,0,0,0,0,0|1,0,0]=1 17 B7R1.3 CC1COCCN1 CS22371 [0,0,0,0,0,0|1,0,0]=1 18 B7R1.3 CC1COCCN1 CS22413 [0,0,0,0,0,0|1,0,0]=1 19 B7R1.3 CC1COCCN1 MC20820 [0,0,0,0,0,0|1,0,0]=1 20 B7R1.3 CN1CC=CCC1 CS20742 [0,0,0,0,0,0|2,0,2]=4 21 B7R1.3 CN1CCNCC1 MC20458 [0,0,0,0,0,0|3,0,0]=3 22 B7R1.3 ClC1CCNCC1 CS16938 [0,0,0,0,0,0|3,0,0]=3 23 B7R1.3 FC1CCCNC1 MC101908 [0,0,0,0,0,0|3,0,0]=3 24 B7R1.3 FC1CCCNC1 MC101918 [0,0,0,0,0,0|3,0,0]=3 25 B7R1.3 FC1CCCNC1 MC444270 [0,0,0,0,0,0|3,0,0]=3 26 B7R1.3 FC1CCNCC1 CS22845 [0,0,0,0,0,0|3,0,0]=3 27 B7R1.3 IC1CCOCC1 CS18194 [0,0,0,0,0,0|3,0,0]=3 28 B7R1.3 NC1CCCNC1 CS17178 [0,0,0,0,0,0|3,0,0]=3 29 B7R1.3 NC1CCCNC1 CS17182 [0,0,0,0,0,0|3,0,0]=3 30 B7R1.3 NC1CCCNC1 CS22655 [0,0,0,0,0,0|3,0,0]=3 31 B7R1.3 NC1CCOCC1 CS16997 [0,0,0,0,0,0|3,0,0]=3 32 B7R1.3 NC1CCOCC1 CS18985 [0,0,0,0,0,0|3,0,0]=3 33 B7R1.3 O=C1C=CCCC1 MC41883 [0,0,0,0,0,0|2,0,2]=4 34 B7R1.3 O=C1C=CCCN1 CS15771 [0,0,0,0,0,0|1,0,3]=4 35 B7R1.3 O=C1CCCCN1 MC429045 [0,0,0,0,0,0|1,0,1]=2 36 B7R1.3 O=C1CCCCO1 CS11208 [0,0,0,0,0,0|2,0,1]=3 37 B7R1.3 O=C1CCCNC1 CS14768 [0,0,0,0,0,0|3,0,1]=4 38 B7R1.3 O=C1CCCNC1 CS17767 [0,0,0,0,0,0|3,0,1]=4 39 B7R1.3 O=C1CCCOC1 MC31097 [0,0,0,0,0,0|3,0,1]=4 40 B7R1.3 O=C1CCNCC1 CS22790 [0,0,0,0,0,0|3,0,1]=4 41 B7R1.3 O=C1CCOCC1 CS13380 [0,0,0,0,0,0|3,0,1]=4 42 B7R1.3 O=C1CCSCC1 CS18797 [0,0,0,0,0,0|3,0,1]=4 43 B7R1.3 O=C1CNCCN1 CS19142 [0,0,0,0,0,0|2,0,1]=3 44 B7R1.3 O=C1CNCCO1 MC441004 [0,0,0,0,0,0|3,0,1]=4 45 B7R1.3 O=C1COCCN1 CS11697 [0,0,0,0,0,0|2,0,1]=3 46 B7R1.3 O=C1COCCO1 MC20725 [0,0,0,0,0,0|3,0,1]=4 47 B7R1.3 OC1CCCNC1 CS17016 [0,0,0,0,0,0|3,0,0]=3 48 B7R1.3 OC1CCCNC1 CS17020 [0,0,0,0,0,0|3,0,0]=3 49 B7R1.3 OC1CCCNC1 CS22642 [0,0,0,0,0,0|3,0,0]=3 50 B7R1.3 OC1CCCOC1 CS17782 [0,0,0,0,0,0|3,0,0]=3 51 B7R1.3 OC1CCNCC1 CS14900 [0,0,0,0,0,0|3,0,0]=3 52 B7R1.3 OC1CCNCC1 CS22643 [0,0,0,0,0,0|3,0,0]=3 53 B7R1.3 OC1CCOCC1 CS13929 [0,0,0,0,0,0|3,0,0]=3 54 B7R1.3 OC1CCSCC1 CS12012 [0,0,0,0,0,0|3,0,0]=3 55 B7R1.3 SC1CCCNC1 MC105166 [0,0,0,0,0,0|3,0,0]=3 56 B7R1.3 SC1CCOCC1 MC107026 [0,0,0,0,0,0|3,0,0]=3 57 B6R1.1 C1=CCNCC1 MC444071 [1,0,0,0,0,0|0,0,2]=3 58 B6R1.1 C1=CCOCC1 MC427315 [1,0,0,0,0,0|1,0,2]=4 59 B6R1.1 C1=CCSCC1 MC427366 [1,0,0,0,0,0|1,0,2]=4 60 B6R1.1 C1=COCCC1 MC20500 [1,0,0,0,0,0|1,0,2]=4 61 B6R1.1 C1CCCCC1 MC41853 [1,0,0,0,0,0|1,0,0]=2 62 B6R1.1 C1CCNNC1 CS17893 [1,0,0,0,0,0|1,0,0]=2 63 B6R1.1 C1CC[NH2+]CC1 CS16333 [1,0,0,0,0,0|0,0,1]=2 64 B6R1.1 C1CNCCN1 MC41703 [1,0,0,0,0,0|1,0,0]=2 65 B6R1.1 C1COCCN1 MC20726 [1,0,0,0,0,0|1,0,0]=2 66 B6R1.1 C1CSCCN1 MC20759 [1,0,0,0,0,0|1,0,0]=2 67 B8R1.2 BrCC1=CCCCC1 MC103521 [0,1,0,0,0,0|1,0,1]=3 68 B8R1.2 BrCC1CCCCC1 CS19887 [0,1,0,0,0,0|1,0,0]=2 69 B8R1.2 BrCC1CCCOC1 MC102393 [0,1,0,0,0,0|2,0,0]=3 70 B8R1.2 Br[Zn]C1C=CCCC1 MC116069 [0,1,0,0,0,0|2,0,1]=4 71 B8R1.2 Br[Zn]C1CCCCC1 MC121343 [0,1,0,0,0,0|2,0,0]=3 72 B8R1.2 Br[Zn]C1CCOCC1 MC116068 [0,1,0,0,0,0|3,0,0]=4 73 B8R1.2 C#CC1CCCOC1 MC104582 [0,1,0,0,0,0|2,0,1]=4 74 B8R1.2 C#CC1CCSCC1 MC104148 [0,1,0,0,0,0|2,0,1]=4 75 B8R1.2 CCC1CNCCN1 MC31046 [0,1,0,0,0,0|1,0,0]=2 76 B8R1.2 CCC1CNCCN1 MC31080 [0,1,0,0,0,0|1,0,0]=2 77 B8R1.2 CCC1CNCCO1 MC444035 [0,1,0,0,0,0|2,0,0]=3 78 B8R1.2 CCC1CNCCO1 MC444058 [0,1,0,0,0,0|2,0,0]=3 79 B8R1.2 CCC1CNCCO1 MC444187 [0,1,0,0,0,0|2,0,0]=3 80 B8R1.2 CCC1COCCN1 MC20812 [0,1,0,0,0,0|1,0,0]=2 81 B8R1.2 CCC1COCCN1 MC444040 [0,1,0,0,0,0|1,0,0]=2 82 B8R1.2 CCC1COCCN1 MC444061 [0,1,0,0,0,0|1,0,0]=2 83 B8R1.2 CCC1COCCN1 MC444269 [0,1,0,0,0,0|1,0,0]=2 84 B8R1.2 CCN1CCNCC1 CS20680 [0,1,0,0,0,0|3,0,0]=4 85 B8R1.2 CNC1CCCNC1 CS22823 [0,1,0,0,0,0|2,0,0]=3 86 B8R1.2 CNC1CCOCC1 CS15192 [0,1,0,0,0,0|2,0,0]=3 87 B8R1.2 COC1CCCNC1 MC31194 [0,1,0,0,0,0|2,0,0]=3 88 B8R1.2 COC1CCCNC1 MC444290 [0,1,0,0,0,0|2,0,0]=3 89 B8R1.2 COC1CCNCC1 MC444354 [0,1,0,0,0,0|2,0,0]=3 90 B8R1.2 CON1CCNCC1 MC106159 [0,1,0,0,0,0|3,0,0]=4 91 B8R1.2 CSC1CCNCC1 MC444359 [0,1,0,0,0,0|2,0,0]=3 92 B8R1.2 ClCC1CNCCO1 MC106711 [0,1,0,0,0,0|2,0,0]=3 93 B8R1.2 Cl[Mg]C1CCOCC1 MC121322 [0,1,0,0,0,0|3,0,0]=4 94 B8R1.2 ICC1CCOCC1 MC31010 [0,1,0,0,0,0|2,0,0]=3 95 B8R1.2 N#CC1CCCCN1 MC105353 [0,1,0,0,0,0|0,0,1]=2 96 B8R1.2 N#CC1CCCCN1 MC444185 [0,1,0,0,0,0|0,0,1]=2 97 B8R1.2 N#CC1CCCNC1 MC105598 [0,1,0,0,0,0|2,0,1]=4 98 B8R1.2 N#CC1CCCNC1 MC444266 [0,1,0,0,0,0|2,0,1]=4 99 B8R1.2 N#CC1CCOCC1 CS12562 [0,1,0,0,0,0|2,0,1]=4 100 B8R1.2 N#CC1CNCCN1 CS12950 [0,1,0,0,0,0|1,0,1]=3 101 B8R1.2 N#CC1CNCCO1 MC442480 [0,1,0,0,0,0|2,0,1]=4 102 B8R1.2 NCC1CCCCC1 MC20908 [0,1,0,0,0,0|1,0,0]=2 103 B8R1.2 NCC1CCCCN1 CS22822 [0,1,0,0,0,0|0,0,0]=1 104 B8R1.2 NCC1CCCOC1 CS18439 [0,1,0,0,0,0|2,0,0]=3 105 B8R1.2 NCC1CCCOC1 MC105501 [0,1,0,0,0,0|2,0,0]=3 106 B8R1.2 NCC1CCCOC1 MC105502 [0,1,0,0,0,0|2,0,0]=3 107 B8R1.2 NCC1CCOCC1 CS18584 [0,1,0,0,0,0|2,0,0]=3 108 B8R1.2 NCC1CCSCC1 MC102976 [0,1,0,0,0,0|2,0,0]=3 109 B8R1.2 NCC1CCSCC1 MC111187 [0,1,0,0,0,0|2,0,0]=3 110 B8R1.2 NCC1COCCO1 MC444012 [0,1,0,0,0,0|2,0,0]=3 111 B8R1.2 NCC1COCCO1 MC444016 [0,1,0,0,0,0|2,0,0]=3 112 B8R1.2 NNC1CCCCC1 MC442574 [0,1,0,0,0,0|2,0,0]=3 113 B8R1.2 NNC1CCCCC1 MC442575 [0,1,0,0,0,0|2,0,0]=3 114 B8R1.2 NNC1CCOCC1 CS13041 [0,1,0,0,0,0|3,0,0]=4 115 B8R1.2 NNC1CCOCC1 CS20368 [0,1,0,0,0,0|3,0,0]=4 116 B8R1.2 NOC1CCCCO1 CS17026 [0,1,0,0,0,0|2,0,0]=3 117 B8R1.2 O=CC1CCCCC1 MC20143 [0,1,0,0,0,0|1,0,1]=3 118 B8R1.2 O=CC1CCCOC1 MC442323 [0,1,0,0,0,0|2,0,1]=4 119 B8R1.2 O=CC1CCOCC1 MC445812 [0,1,0,0,0,0|2,0,1]=4 120 B8R1.2 OCC1CCC=CO1 MC20505 [0,1,0,0,0,0|1,0,2]=4 121 B8R1.2 OCC1CCCCC1 MC20144 [0,1,0,0,0,0|1,0,0]=2 122 B8R1.2 OCC1CCCCN1 CS21780 [0,1,0,0,0,0|0,0,0]=1 123 B8R1.2 OCC1CCCNC1 CS15958 [0,1,0,0,0,0|2,0,0]=3 124 B8R1.2 OCC1CCCNC1 CS22817 [0,1,0,0,0,0|2,0,0]=3 125 B8R1.2 OCC1CCCOC1 MC31058 [0,1,0,0,0,0|2,0,0]=3 126 B8R1.2 OCC1CCNCC1 CS22819 [0,1,0,0,0,0|2,0,0]=3 127 B8R1.2 OCC1CCOCC1 CS18741 [0,1,0,0,0,0|2,0,0]=3 128 B8R1.2 OCC1CNCCO1 CS14518 [0,1,0,0,0,0|2,0,0]=3 129 B8R1.2 OCC1CNCCO1 CS15145 [0,1,0,0,0,0|2,0,0]=3 130 B8R1.2 OCC1CNCCO1 CS15312 [0,1,0,0,0,0|2,0,0]=3 131 B8R1.2 OCC1COCCN1 CS15269 [0,1,0,0,0,0|1,0,0]=2 132 B8R1.2 OCC1COCCN1 CS15280 [0,1,0,0,0,0|1,0,0]=2 133 B8R1.2 OCC1COCCN1 MC106628 [0,1,0,0,0,0|1,0,0]=2 134 B8R1.2 OCC1COCCN1 MC115923 [0,1,0,0,0,0|1,0,0]=2 135 B8R1.2 OCC1COCCN1 MC444278 [0,1,0,0,0,0|1,0,0]=2 136 B8R1.2 OCC1COCCO1 MC107175 [0,1,0,0,0,0|2,0,0]=3 137 B8R1.2 OCC1COCCO1 MC107176 [0,1,0,0,0,0|2,0,0]=3 138 B8R1.3 C=C1CCC(C)CC1 MC105701 [0,1,0,0,0,0|1,0,1]=3 139 B8R1.3 CC1CNC(C)CN1 CS14078 [0,1,0,0,0,0|1,0,0]=2 140 B8R1.3 CC1CNC(C)CN1 MC103638 [0,1,0,0,0,0|1,0,0]=2 141 B8R1.3 CC1COC(C)CN1 MC107001 [0,1,0,0,0,0|1,0,0]=2 142 B8R1.3 CC1COC(C)CN1 MC107002 [0,1,0,0,0,0|1,0,0]=2 143 B8R1.3 CN1CCC(=O)CC1 CS18410 [0,1,0,0,0,0|2,0,1]=4 144 B8R1.3 CN1CCC(Cl)CC1 CS18485 [0,1,0,0,0,0|2,0,0]=3 145 B8R1.3 CN1CCC(N)CC1 CS18628 [0,1,0,0,0,0|2,0,0]=3 146 B8R1.3 CN1CCC(O)CC1 CS13491 [0,1,0,0,0,0|2,0,0]=3 147 B8R1.3 NC1CCC(=O)CC1 CS22583 [0,1,0,0,0,0|2,0,1]=4 148 B8R1.3 NC1CCC(=O)NC1 MC113024 [0,1,0,0,0,0|1,0,1]=3 149 B8R1.3 NC1CCC(=O)NC1 MC444382 [0,1,0,0,0,0|1,0,1]=3 150 B8R1.3 NC1CCC(N)CC1 CS18629 [0,1,0,0,0,0|2,0,0]=3 151 B8R1.3 NC1CCC(N)CC1 MC20732 [0,1,0,0,0,0|2,0,0]=3 152 B8R1.3 NC1CCC(O)CC1 CS12038 [0,1,0,0,0,0|2,0,0]=3 153 B8R1.3 NC1CCC(O)CC1 CS15381 [0,1,0,0,0,0|2,0,0]=3 154 B8R1.3 NC1CCC(O)CC1 CS18581 [0,1,0,0,0,0|2,0,0]=3 155 B8R1.3 NC1CCC(O)CC1 CS18592 [0,1,0,0,0,0|2,0,0]=3 156 B8R1.3 O=C1CCC(=O)NC1 CS21155 [0,1,0,0,0,0|1,0,2]=4 157 B8R1.3 O=C1CCC(O)CC1 CS22889 [0,1,0,0,0,0|2,0,1]=4 158 B8R1.3 OC1CCC(O)CC1 CS20531 [0,1,0,0,0,0|2,0,0]=3 159 B8R1.3 OC1CCC(O)CC1 MC103601 [0,1,0,0,0,0|2,0,0]=3 160 B8R1.3 OC1COC(O)CO1 MC440451 [0,1,0,0,0,0|3,0,0]=4 161 B8R1.3 OC1CSC(O)CS1 MC41677 [0,1,0,0,0,0|3,0,0]=4 162 B8R1.4 CC1=CC(O)CCC1 MC111652 [0,1,0,0,0,0|1,0,1]=3 163 B8R1.4 CC1CC(=O)CCN1 MC101989 [0,1,0,0,0,0|0,0,1]=2 164 B8R1.4 CC1CC(=O)CCN1 MC103769 [0,1,0,0,0,0|0,0,1]=2 165 B8R1.4 CC1CC(=O)CCN1 MC444193 [0,1,0,0,0,0|0,0,1]=2 166 B8R1.4 CC1CC(=O)CCO1 MC103799 [0,1,0,0,0,0|1,0,1]=3 167 B8R1.4 CC1CC(=O)CCO1 MC103800 [0,1,0,0,0,0|1,0,1]=3 168 B8R1.4 CC1CC(=O)CCO1 MC31001 [0,1,0,0,0,0|1,0,1]=3 169 B8R1.4 CC1CC(O)CCN1 MC102122 [0,1,0,0,0,0|0,0,0]=1 170 B8R1.4 CC1CC(O)CCN1 MC102123 [0,1,0,0,0,0|0,0,0]=1 171 B8R1.4 CC1CC(O)CCN1 MC102289 [0,1,0,0,0,0|0,0,0]=1 172 B8R1.4 CC1CC(O)CCO1 MC31218 [0,1,0,0,0,0|1,0,0]=2 173 B8R1.4 CC1CCNC(C)C1 CS21125 [0,1,0,0,0,0|0,0,0]=1 174 B8R1.4 CC1CN(C)CCN1 MC102815 [0,1,0,0,0,0|1,0,0]=2 175 B8R1.4 CC1CNCC(=O)N1 MC103795 [0,1,0,0,0,0|1,0,1]=3 176 B8R1.4 CC1CNCC(=O)N1 MC104244 [0,1,0,0,0,0|1,0,1]=3 177 B8R1.4 CC1CNCC(=O)N1 MC444027 [0,1,0,0,0,0|1,0,1]=3 178 B8R1.4 CC1CNCC(C)C1 CS14191 [0,1,0,0,0,0|2,0,0]=3 179 B8R1.4 CC1CNCC(C)N1 CS18625 [0,1,0,0,0,0|1,0,0]=2 180 B8R1.4 CC1CNCC(C)N1 CS21187 [0,1,0,0,0,0|1,0,0]=2 181 B8R1.4 CC1CNCC(C)N1 MC103637 [0,1,0,0,0,0|1,0,0]=2 182 B8R1.4 CC1CNCC(C)N1 MC104476 [0,1,0,0,0,0|1,0,0]=2 183 B8R1.4 CC1CNCC(C)N1 MC444588 [0,1,0,0,0,0|1,0,0]=2 184 B8R1.4 CC1CNCC(C)O1 MC121304 [0,1,0,0,0,0|2,0,0]=3 185 B8R1.4 CC1CNCC(C)O1 MC428243 [0,1,0,0,0,0|2,0,0]=3 186 B8R1.4 CC1CNCC(C)O1 MC444593 [0,1,0,0,0,0|2,0,0]=3 187 B8R1.4 CC1COCC(C)N1 MC103641 [0,1,0,0,0,0|1,0,0]=2 188 B8R1.4 CC1COCC(C)N1 MC104538 [0,1,0,0,0,0|1,0,0]=2 189 B8R1.4 CC1COCC(C)N1 MC105667 [0,1,0,0,0,0|1,0,0]=2 190 B8R1.4 CC1COCC(C)N1 MC105668 [0,1,0,0,0,0|1,0,0]=2 191 B8R1.4 CC1COCC(C)N1 MC113396 [0,1,0,0,0,0|1,0,0]=2 192 B8R1.4 CN1CCCC(N)C1 MC102357 [0,1,0,0,0,0|2,0,0]=3 193 B8R1.4 CN1CCCC(N)C1 MC444039 [0,1,0,0,0,0|2,0,0]=3 194 B8R1.4 CN1CCCC(N)C1 MC444227 [0,1,0,0,0,0|2,0,0]=3 195 B8R1.4 CN1CCCC(O)C1 MC445500 [0,1,0,0,0,0|2,0,0]=3 196 B8R1.4 CN1CCNC(=O)C1 CS13438 [0,1,0,0,0,0|2,0,1]=4 197 B8R1.4 NC1CCCC(N)C1 CS17066 [0,1,0,0,0,0|2,0,0]=3 198 B8R1.4 NC1CCCC(O)C1 CS17342 [0,1,0,0,0,0|2,0,0]=3 199 B8R1.4 NC1CCCC(O)C1 CS18558 [0,1,0,0,0,0|2,0,0]=3 200 B8R1.4 NC1CCCC(O)C1 MC116000 [0,1,0,0,0,0|2,0,0]=3 201 B8R1.4 NC1CCCC(O)C1 MC116001 [0,1,0,0,0,0|2,0,0]=3 202 B8R1.4 NC1CCNC(=O)C1 CS15459 [0,1,0,0,0,0|1,0,1]=3 203 B8R1.4 NC1CCNC(=O)C1 MC444313 [0,1,0,0,0,0|1,0,1]=3 204 B8R1.4 O=C1CCNC(=O)C1 CS18339 [0,1,0,0,0,0|1,0,2]=4 205 B8R1.5 BrC1CCCCC1Br CS20488 [0,1,0,0,0,0|2,0,0]=3 206 B8R1.5 CC1=NCCCN1C MC20695 [0,1,0,0,0,0|1,0,1]=3 207 B8R1.5 CC1CCNCC1=O MC105562 [0,1,0,0,0,0|2,0,0]=3 208 B8R1.5 CC1CCNCC1O MC103744 [0,1,0,0,0,0|2,0,0]=3 209 B8R1.5 CC1CCNCC1O MC103745 [0,1,0,0,0,0|2,0,0]=3 210 B8R1.5 CC1CCNCC1O MC105563 [0,1,0,0,0,0|2,0,0]=3 211 B8R1.5 CC1CCNCC1O MC105564 [0,1,0,0,0,0|2,0,0]=3 212 B8R1.5 CC1CCNCC1O MC444275 [0,1,0,0,0,0|2,0,0]=3 213 B8R1.5 CC1CNCCC1=O MC106748 [0,1,0,0,0,0|2,0,0]=3 214 B8R1.5 CC1CNCCN1C MC444011 [0,1,0,0,0,0|1,0,0]=2 215 B8R1.5 CC1CNCCN1C MC444015 [0,1,0,0,0,0|1,0,0]=2 216 B8R1.5 CC1COCCC1=O MC425868 [0,1,0,0,0,0|2,0,0]=3 217 B8R1.5 CC1COCCC1N MC100869 [0,1,0,0,0,0|2,0,0]=3 218 B8R1.5 CC1COCCC1N MC104730 [0,1,0,0,0,0|2,0,0]=3 219 B8R1.5 CN1CCNCC1=O CS17040 [0,1,0,0,0,0|2,0,1]=4 220 B8R1.5 CN1CCNCC1=O CS18390 [0,1,0,0,0,0|2,0,1]=4 221 B8R1.5 FC1CCNCC1F MC105603 [0,1,0,0,0,0|3,0,0]=4 222 B8R1.5 FC1CCNCC1F MC105604 [0,1,0,0,0,0|3,0,0]=4 223 B8R1.5 NC1CCCCC1N CS11826 [0,1,0,0,0,0|2,0,0]=3 224 B8R1.5 NC1CCCCC1N CS22821 [0,1,0,0,0,0|2,0,0]=3 225 B8R1.5 NC1CCCCC1O CS12403 [0,1,0,0,0,0|2,0,0]=3 226 B8R1.5 NC1CCCCC1O CS12547 [0,1,0,0,0,0|2,0,0]=3 227 B8R1.5 NC1CCCCC1O CS12548 [0,1,0,0,0,0|2,0,0]=3 228 B8R1.5 NC1CCCCC1O CS14928 [0,1,0,0,0,0|2,0,0]=3 229 B8R1.5 NC1CCCCC1O CS18590 [0,1,0,0,0,0|2,0,0]=3 230 B8R1.5 NC1CCCCC1O MC20710 [0,1,0,0,0,0|2,0,0]=3 231 B8R1.5 NC1CCCCC1O MC20824 [0,1,0,0,0,0|2,0,0]=3 232 B8R1.5 NC1CCCNC1=O MC106744 [0,1,0,0,0,0|1,0,1]=3 233 B8R1.5 NC1CCOCC1O MC102103 [0,1,0,0,0,0|3,0,0]=4 234 B8R1.5 NC1CCOCC1O MC102104 [0,1,0,0,0,0|3,0,0]=4 235 B8R1.5 NC1CCOCC1O MC102509 [0,1,0,0,0,0|3,0,0]=4 236 B8R1.5 NC1COCCC1O MC427129 [0,1,0,0,0,0|3,0,0]=4 237 B8R1.5 O=C1CCCCC1=O CS20486 [0,1,0,0,0,0|2,0,1]=4 238 B8R1.5 O=C1CCNCC1Br MC106749 [0,1,0,0,0,0|3,0,0]=4 239 B8R1.5 O=C1NCCCC1Br CS14644 [0,1,0,0,0,0|1,0,1]=3 240 B8R1.5 O=C1NCCCC1O CS19689 [0,1,0,0,0,0|1,0,1]=3 241 B8R1.5 O=C1OCCCC1O CS16147 [0,1,0,0,0,0|2,0,1]=4 242 B8R1.5 OC1CCCCC1F MC107093 [0,1,0,0,0,0|2,0,0]=3 243 B8R1.5 OC1CCCCC1O CS12029 [0,1,0,0,0,0|2,0,0]=3 244 B8R1.5 OC1CCNCC1F MC101962 [0,1,0,0,0,0|3,0,0]=4 245 B8R1.5 OC1CCNCC1F MC103718 [0,1,0,0,0,0|3,0,0]=4 246 B8R1.5 OC1CCNCC1O MC101991 [0,1,0,0,0,0|3,0,0]=4 247 B8R1.5 OC1CCNCC1O MC111756 [0,1,0,0,0,0|3,0,0]=4 248 B8R1.5 OC1CCNCC1O MC116420 [0,1,0,0,0,0|3,0,0]=4 249 B8R1.5 OC1CNCCC1F MC101961 [0,1,0,0,0,0|3,0,0]=4 250 B8R1.72 CC1(C)CCNCC1 CS13819 [0,1,0,0,0,0|2,0,0]=3 251 B8R1.72 CC1(C)CNCCN1 CS18507 [0,1,0,0,0,0|1,0,0]=2 252 B8R1.72 CC1(C)CNCCO1 MC100077 [0,1,0,0,0,0|2,0,0]=3 253 B8R1.72 CC1(C)COCCN1 CS21909 [0,1,0,0,0,0|1,0,0]=2 254 B8R1.72 CC1(N)CCOCC1 CS14346 [0,1,0,0,0,0|2,0,0]=3 255 B8R1.72 CC1(N)CCOCC1 MC106879 [0,1,0,0,0,0|2,0,0]=3 256 B8R1.72 CC1(O)CCCNC1 MC444294 [0,1,0,0,0,0|2,0,0]=3 257 B8R1.72 CC1(O)CCNCC1 MC443374 [0,1,0,0,0,0|2,0,0]=3 258 B8R1.72 CC1(O)CCOCC1 CS12641 [0,1,0,0,0,0|2,0,0]=3 259 B8R1.72 FC1(F)CCCNC1 CS21902 [0,1,0,0,0,0|3,0,0]=4 260 B8R1.72 FC1(F)CCNCC1 CS18259 [0,1,0,0,0,0|3,0,0]=4 261 B8R1.72 O=S1(=O)CCCCN1 MC428209 [0,1,0,0,0,0|2,0,0]=3 262 B8R1.72 OC1(O)CCNCC1 CS10106 [0,1,0,0,0,0|3,0,0]=4 263 B6R0.1 CCC(C)CCBr MC112369 [0,0,1,0,0,0|2,0,0]=3 264 B6R0.1 CCCC(=O)NN CS22544 [0,0,1,0,0,0|2,0,1]=4 265 B6R0.1 CCCC(C)CBr MC112368 [0,0,1,0,0,0|2,0,0]=3 266 B6R0.1 CCCC(O)CO CS20495 [0,0,1,0,0,0|3,0,0]=4 267 B6R0.1 CCNC(=O)NC MC428152 [0,0,1,0,0,0|2,0,1]=4 268 B6R0.1 CNC(=O)CCN MC112263 [0,0,1,0,0,0|2,0,1]=4 269 B6R0.4 CC(=O)CCCBr CS10305 [0,0,1,0,0,0|2,0,1]=4 270 B6R0.4 CC(=O)CCCCl CS10334 [0,0,1,0,0,0|2,0,1]=4 271 B6R0.4 CC(=O)NCCCl MC33011 [0,0,1,0,0,0|2,0,1]=4 272 B6R0.4 CC(C)CCC=O MC428026 [0,0,1,0,0,0|2,0,1]=4 273 B6R0.4 CC(C)CCCO MC428025 [0,0,1,0,0,0|2,0,0]=3 274 B6R0.4 CC(C)NCCN MC20461 [0,0,1,0,0,0|1,0,0]=2 275 B6R0.4 CCCCC(=O)Cl MC40508 [0,0,1,0,0,0|2,0,1]=4 276 B6R0.4 CN(C)CCCBr CS22184 [0,0,1,0,0,0|3,0,0]=4 277 B6R0.4 CN(C)CCCCl CS13505 [0,0,1,0,0,0|3,0,0]=4 278 B6R0.4 CN(C)CCCCl CS14943 [0,0,1,0,0,0|3,0,0]=4 279 B6R0.4 CNCCN(C)C CS11723 [0,0,1,0,0,0|3,0,0]=4 280 B6R0.4 CNCCN(C)C CS15131 [0,0,1,0,0,0|3,0,0]=4 281 B6R0.4 NCCCC(N)=O MC112262 [0,0,1,0,0,0|2,0,1]=4 282 B6R0.6 BrCCCCCBr MC41886 [0,0,1,0,0,0|2,0,0]=3 283 B6R0.6 BrCCNCCBr CS11032 [0,0,1,0,0,0|3,0,0]=4 284 B6R0.6 C#CCCCCO MC424004 [0,0,1,0,0,0|1,0,2]=4 285 B6R0.6 C=CCCCCCl MC427568 [0,0,1,0,0,0|1,0,2]=4 286 B6R0.6 C=CCCCCN MC111853 [0,0,1,0,0,0|0,0,2]=3 287 B6R0.6 C=CCCCCO CS10397 [0,0,1,0,0,0|1,0,2]=4 288 B6R0.6 C=COCCCN MC41859 [0,0,1,0,0,0|1,0,2]=4 289 B6R0.6 CCCOCCCl MC428009 [0,0,1,0,0,0|2,0,0]=3 290 B6R0.6 COCCCC=O MC111975 [0,0,1,0,0,0|2,0,1]=4 291 B6R0.6 COCCCCBr CS22933 [0,0,1,0,0,0|2,0,0]=3 292 B6R0.6 COCCCCCl MC428014 [0,0,1,0,0,0|2,0,0]=3 293 B6R0.6 ClCCNCCCl CS16038 [0,0,1,0,0,0|3,0,0]=4 294 B6R0.6 ClCCOCCCl MC41873 [0,0,1,0,0,0|3,0,0]=4 295 B6R0.6 FCCCCCBr CS14708 [0,0,1,0,0,0|2,0,0]=3 296 B6R0.6 FCCCC[Mg]Br MC116032 [0,0,1,0,0,0|3,0,0]=4 297 B6R0.6 N#CCCCCCl CS10359 [0,0,1,0,0,0|1,0,2]=4 298 B6R0.6 NCCCCCN CS19074 [0,0,1,0,0,0|1,0,0]=2 299 B6R0.6 OCCCCCCl CS14778 [0,0,1,0,0,0|2,0,0]=3 300 B6R0.6 OCCCCCO CS20549 [0,0,1,0,0,0|2,0,0]=3 301 B6R0.6 OCCOCCO MC41893 [0,0,1,0,0,0|3,0,0]=4 302 B6R0.6 SCCOCCS MC112783 [0,0,1,0,0,0|3,0,0]=4 303 B8R2.11 C12CNCC1C2O MC102023 [0,0,0,1,0,0|3,0,0]=4 304 B8R2.18 NC1CC2CC2C1 MC103540 [0,0,0,1,0,0|2,0,0]=3 305 B8R2.23 C1NCC2CC1C2 MC115688 [0,0,0,1,0,0|2,0,0]=3 306 B8R2.23 C1NCC2CC1O2 MC102903 [0,0,0,1,0,0|2,0,0]=3 307 B8R2.23 C1OCC2CC1N2 MC116488 [0,0,0,1,0,0|1,0,0]=2 308 B8R2.25 C1CC2CC2CN1 MC105241 [0,0,0,1,0,0|2,0,0]=3 309 B8R2.25 C1CC2OC2CO1 MC427300 [0,0,0,1,0,0|3,0,0]=4 310 B8R2.25 C1CCC2OC2C1 MC41785 [0,0,0,1,0,0|2,0,0]=3 311 B8R2.25 C1COC2CC2N1 MC106168 [0,0,0,1,0,0|1,0,0]=2 312 B8R2.34 C1=CC2CCC1C2 CS11805 [0,0,0,1,0,0|1,0,1]=3 313 B8R2.34 C1CC2CCC1N2 CS10780 [0,0,0,1,0,0|2,0,0]=3 314 B8R2.34 C1CC2CCC1N2 MC113036 [0,0,0,1,0,0|2,0,0]=3 315 B8R2.34 C1OC2CNC1C2 CS12565 [0,0,0,1,0,0|1,0,0]=2 316 B8R2.34 C1OC2CNC1C2 MC102221 [0,0,0,1,0,0|1,0,0]=2 317 B8R2.34 C1OC2CNC1C2 MC103903 [0,0,0,1,0,0|1,0,0]=2 318 B8R2.34 C1OC2CNC1C2 MC105588 [0,0,0,1,0,0|1,0,0]=2 319 B8R2.34 C1OC2CNC1C2 MC31167 [0,0,0,1,0,0|1,0,0]=2 320 B8R2.34 C1OC2CNC1C2 MC444007 [0,0,0,1,0,0|1,0,0]=2 321 B6R1.2 BrC1CCNC1 CS15742 [0,0,0,0,1,0|2,0,0]=3 322 B6R1.2 BrC1CCOC1 CS14643 [0,0,0,0,1,0|2,0,0]=3 323 B6R1.2 CC1=NCCC1 CS21664 [0,0,0,0,1,0|0,0,2]=3 324 B6R1.2 CC1CCCN1 CS18299 [0,0,0,0,1,0|0,0,0]=1 325 B6R1.2 CC1CCCN1 CS18800 [0,0,0,0,1,0|0,0,0]=1 326 B6R1.2 CC1CCCN1 CS19735 [0,0,0,0,1,0|0,0,0]=1 327 B6R1.2 CC1CCCN1 CS21699 [0,0,0,0,1,0|0,0,0]=1 328 B6R1.2 CC1CCCN1 CS21700 [0,0,0,0,1,0|0,0,0]=1 329 B6R1.2 CC1CCCN1 MC428345 [0,0,0,0,1,0|0,0,0]=1 330 B6R1.2 CC1CCCO1 MC20580 [0,0,0,0,1,0|1,0,0]=2 331 B6R1.2 FC1CCNC1 CS12894 [0,0,0,0,1,0|2,0,0]=3 332 B6R1.2 FC1CCNC1 CS14870 [0,0,0,0,1,0|2,0,0]=3 333 B6R1.2 FC1CCNC1 MC31003 [0,0,0,0,1,0|2,0,0]=3 334 B6R1.2 IC1CCOC1 MC101926 [0,0,0,0,1,0|2,0,0]=3 335 B6R1.2 NC1=NCCC1 CS19310 [0,0,0,0,1,0|1,0,2]=4 336 B6R1.2 NC1CC=CC1 CS19415 [0,0,0,0,1,0|1,0,2]=4 337 B6R1.2 NC1CCOC1 CS12010 [0,0,0,0,1,0|2,0,0]=3 338 B6R1.2 NC1CCOC1 CS13003 [0,0,0,0,1,0|2,0,0]=3 339 B6R1.2 NC1CCOC1 CS20366 [0,0,0,0,1,0|2,0,0]=3 340 B6R1.2 NC1CCOC1 MC443324 [0,0,0,0,1,0|2,0,0]=3 341 B6R1.2 NC1CCOC1 MC444237 [0,0,0,0,1,0|2,0,0]=3 342 B6R1.2 O=C1CCCC1 MC21085 [0,0,0,0,1,0|1,0,1]=3 343 B6R1.2 O=C1CCNC1 CS22412 [0,0,0,0,1,0|2,0,1]=4 344 B6R1.2 O=C1CCOC1 CS18178 [0,0,0,0,1,0|2,0,1]=4 345 B6R1.2 O=C1CCSC1 MC20305 [0,0,0,0,1,0|2,0,1]=4 346 B6R1.2 O=C1CNCN1 CS15654 [0,0,0,0,1,0|2,0,1]=4 347 B6R1.2 O=C1NCCN1 CS21607 [0,0,0,0,1,0|2,0,1]=4 348 B6R1.2 O=C1NCCS1 CS20525 [0,0,0,0,1,0|2,0,1]=4 349 B6R1.2 OC1CC=CC1 MC10342 [0,0,0,0,1,0|1,0,2]=4 350 B6R1.2 OC1CCNC1 CS16166 [0,0,0,0,1,0|2,0,0]=3 351 B6R1.2 OC1CCNC1 CS16635 [0,0,0,0,1,0|2,0,0]=3 352 B6R1.2 OC1CCNC1 CS16650 [0,0,0,0,1,0|2,0,0]=3 353 B6R1.2 OC1CCNC1 CS17407 [0,0,0,0,1,0|2,0,0]=3 354 B6R1.2 OC1CCNC1 CS21757 [0,0,0,0,1,0|2,0,0]=3 355 B6R1.2 OC1CCOC1 CS20284 [0,0,0,0,1,0|2,0,0]=3 356 B6R1.2 OC1CCOC1 MC42235 [0,0,0,0,1,0|2,0,0]=3 357 B6R1.2 OC1CCOC1 MC444279 [0,0,0,0,1,0|2,0,0]=3 358 B8R1.22 CC1CCNCCN1 MC104490 [0,0,0,0,0,1|0,0,0]=1 359 B8R1.22 FC1CCCNCC1 MC103919 [0,0,0,0,0,1|2,0,0]=3 360 B8R1.22 NC1CCCCNC1 CS18624 [0,0,0,0,0,1|1,0,0]=2 361 B8R1.22 NC1CCCCNC1 MC104803 [0,0,0,0,0,1|1,0,0]=2 362 B8R1.22 NC1CCCCNC1 MC425605 [0,0,0,0,0,1|1,0,0]=2 363 B8R1.22 O=C1CCCNCC1 CS19096 [0,0,0,0,0,1|2,0,1]=4 364 B8R1.22 O=C1CCNCCN1 CS18857 [0,0,0,0,0,1|1,0,1]=3 365 B8R1.22 O=C1CCSCCN1 MC121122 [0,0,0,0,0,1|1,0,1]=3 366 B8R1.22 O=S1CCCNCC1 MC100495 [0,0,0,0,0,1|3,0,0]=4 367 B5R0.1 CC(C)CC=O CS11530 [1,0,1,0,0,0|1,0,1]=4 368 B5R0.1 CC(N)CCO CS14355 [1,0,1,0,0,0|1,0,0]=3 369 B5R0.1 CC(N)CCO CS14356 [1,0,1,0,0,0|1,0,0]=3 370 B5R0.1 CC(N)CCO CS22096 [1,0,1,0,0,0|1,0,0]=3 371 B5R0.1 CCCC(C)=O CS21731 [1,0,1,0,0,0|1,0,1]=4 372 B5R0.1 CN(C)CCBr CS10949 [1,0,1,0,0,0|2,0,0]=4 373 B5R0.1 CN(C)CCCl CS14471 [1,0,1,0,0,0|2,0,0]=4 374 B5R0.1 CN(C)CCCl CS17225 [1,0,1,0,0,0|2,0,0]=4 375 B5R0.1 CN(C)CCN CS18603 [1,0,1,0,0,0|2,0,0]=4 376 B5R0.1 CN(C)CCO CS11733 [1,0,1,0,0,0|2,0,0]=4 377 B5R0.1 COCC(C)N CS15401 [1,0,1,0,0,0|1,0,0]=3 378 B5R0.1 COCC(C)O CS20249 [1,0,1,0,0,0|2,0,0]=4 379 B5R0.1 COCC(C)O CS20309 [1,0,1,0,0,0|2,0,0]=4 380 B5R0.1 COCC(C)O CS20741 [1,0,1,0,0,0|2,0,0]=4 381 B5R0.2 BrCCCCBr MC41885 [1,0,1,0,0,0|2,0,0]=4 382 B5R0.2 CCCCCBr CS20657 [1,0,1,0,0,0|1,0,0]=3 383 B5R0.2 CCCC[Zn]Br MC121334 [1,0,1,0,0,0|2,0,0]=4 384 B5R0.2 CCOCCBr CS21396 [1,0,1,0,0,0|2,0,0]=4 385 B5R0.2 CCOCCCl MC428008 [1,0,1,0,0,0|2,0,0]=4 386 B5R0.2 CNCCC#N CS22369 [1,0,1,0,0,0|1,0,1]=4 387 B5R0.2 CNCCCO CS14200 [1,0,1,0,0,0|1,0,0]=3 388 B5R0.2 CNCCNC CS15116 [1,0,1,0,0,0|1,0,0]=3 389 B5R0.2 CNCCOC MC427349 [1,0,1,0,0,0|1,0,0]=3 390 B5R0.2 COCCCBr CS20649 [1,0,1,0,0,0|2,0,0]=4 391 B5R0.2 COCCCO CS20039 [1,0,1,0,0,0|2,0,0]=4 392 B5R0.2 COCCNN MC103229 [1,0,1,0,0,0|2,0,0]=4 393 B5R0.2 COCCNN MC107041 [1,0,1,0,0,0|2,0,0]=4 394 B5R0.2 COCCOC MC41899 [1,0,1,0,0,0|2,0,0]=4 395 B5R0.2 COCCOC MC445008 [1,0,1,0,0,0|2,0,0]=4 396 B5R0.2 NCCCCBr CS14979 [1,0,1,0,0,0|1,0,0]=3 397 B5R0.2 NCCCCN CS19906 [1,0,1,0,0,0|1,0,0]=3 398 B5R0.3 CCC(C)[Zn]Br MC121335 [1,0,1,0,0,0|2,0,0]=4 399 B5R0.3 CCC(N)CO CS15119 [1,0,1,0,0,0|2,0,0]=4 400 B5R0.3 CCC(N)CO MC10528 [1,0,1,0,0,0|2,0,0]=4 401 B5R0.3 CCC(N)CO MC20718 [1,0,1,0,0,0|2,0,0]=4 402 B5R0.3 CCC(N)CO MC436159 [1,0,1,0,0,0|2,0,0]=4 403 B5R0.3 CCC(O)CO CS15622 [1,0,1,0,0,0|2,0,0]=4 404 B5R0.3 COC(C)CN CS17733 [1,0,1,0,0,0|2,0,0]=4 405 B5R0.3 COC(C)CO CS12306 [1,0,1,0,0,0|2,0,0]=4 406 B7R0.3 CCC(O)CCCO MC116029 [0,1,1,0,0,0|2,0,0]=4 407 B7R0.7 CCCC(N)CCO CS16692 [0,1,1,0,0,0|2,0,0]=4 408 B7R0.10 CCC(C)C(N)CO CS18903 [0,1,1,0,0,0|2,0,0]=4 409 B7R0.10 CCC(C)C(N)CO MC437812 [0,1,1,0,0,0|2,0,0]=4 410 B7R0.10 CNC(C)C(=O)OC MC437898 [0,1,1,0,0,0|1,0,1]=4 411 B7R0.12 COC(CSC)OC MC10796 [0,1,1,0,0,0|2,0,0]=4 412 B7R0.4 CC(=O)CCCCBr CS10627 [0,1,1,0,0,0|1,0,1]=4 413 B7R0.4 CC(O)CCCCO MC112436 [0,1,1,0,0,0|1,0,0]=3 414 B7R0.4 CCCCCC(C)O CS21570 [0,1,1,0,0,0|1,0,0]=3 415 B7R0.4 CN(C)CCCCO CS22813 [0,1,1,0,0,0|2,0,0]=4 416 B7R0.4 COCCCC(C)N MC112163 [0,1,1,0,0,0|0,0,0]=2 417 B7R0.6 CC(C)CCC(C)N MC446673 [0,1,1,0,0,0|0,0,0]=2 418 B7R0.6 CC(N)CCC(=O)O MC435302 [0,1,1,0,0,0|1,0,1]=4 419 B7R0.8 CCCCS(N)(=O)=O MC32080 [0,1,1,0,0,0|2,0,0]=4 420 B7R0.1 BrCCCCCCBr CS20550 [0,1,1,0,0,0|1,0,0]=3 421 B7R0.1 C#CCCCCCO CS10705 [0,1,1,0,0,0|1,0,1]=4 422 B7R0.1 C=CCCCCCBr CS19607 [0,1,1,0,0,0|1,0,1]=4 423 B7R0.1 COCCOCCN MC431493 [0,1,1,0,0,0|1,0,0]=3 424 B7R0.1 N#CCCCCCBr MC41862 [0,1,1,0,0,0|0,0,2]=4 425 B7R0.1 NCCCNCCBr CS13982 [0,1,1,0,0,0|1,0,0]=3 426 B7R0.1 NCCSSCCN CS11190 [0,1,1,0,0,0|2,0,0]=4 427 B7R0.1 NCC[Se][Se]CCN MC435603 [0,1,1,0,0,0|2,0,0]=4 428 B7R0.1 OCCCCCCBr CS14335 [0,1,1,0,0,0|1,0,0]=3 429 B7R1.1 BrCC1CCCC1 MC20145 [0,1,0,0,1,0|0,0,0]=2 430 B7R1.1 BrCC1CCCN1 MC114648 [0,1,0,0,1,0|0,0,0]=2 431 B7R1.1 BrCC1CCCO1 MC106365 [0,1,0,0,1,0|1,0,0]=3 432 B7R1.1 BrCC1OCCO1 CS21401 [0,1,0,0,1,0|2,0,0]=4 433 B7R1.1 Br[Zn]C1CCCC1 MC121342 [0,1,0,0,1,0|1,0,0]=3 434 B7R1.1 C#CC1CCOC1 MC103679 [0,1,0,0,1,0|1,0,1]=4 435 B7R1.1 CCC1CCCN1 MC110951 [0,1,0,0,1,0|0,0,0]=2 436 B7R1.1 CNC1CCOC1 MC104966 [0,1,0,0,1,0|1,0,0]=3 437 B7R1.1 CNC1CCOC1 MC105597 [0,1,0,0,1,0|1,0,0]=3 438 B7R1.1 COC1=NCCC1 CS10423 [0,1,0,0,1,0|0,0,2]=4 439 B7R1.1 COC1CCCN1 MC41692 [0,1,0,0,1,0|0,0,0]=2 440 B7R1.1 COC1CCNC1 CS12136 [0,1,0,0,1,0|1,0,0]=3 441 B7R1.1 COC1CCNC1 CS12137 [0,1,0,0,1,0|1,0,0]=3 442 B7R1.1 COC1CCNC1 CS22350 [0,1,0,0,1,0|1,0,0]=3 443 B7R1.1 ClCC1=NCCN1 CS13610 [0,1,0,0,1,0|1,0,1]=4 444 B7R1.1 ClCC1OCCO1 MC428002 [0,1,0,0,1,0|2,0,0]=4 445 B7R1.1 FCC1CCCN1 MC100102 [0,1,0,0,1,0|0,0,0]=2 446 B7R1.1 FCC1CCNC1 MC103199 [0,1,0,0,1,0|1,0,0]=3 447 B7R1.1 N#CC1CCCC1 MC433761 [0,1,0,0,1,0|0,0,1]=3 448 B7R1.1 N#CC1CCCN1 MC104069 [0,1,0,0,1,0|0,0,1]=3 449 B7R1.1 N#CC1CCOC1 MC103877 [0,1,0,0,1,0|1,0,1]=4 450 B7R1.1 N#CC1CCOC1 MC103878 [0,1,0,0,1,0|1,0,1]=4 451 B7R1.1 NCC1CCCC1 CS14873 [0,1,0,0,1,0|0,0,0]=2 452 B7R1.1 NCC1CCCN1 CS15469 [0,1,0,0,1,0|0,0,0]=2 453 B7R1.1 NCC1CCCN1 CS15745 [0,1,0,0,1,0|0,0,0]=2 454 B7R1.1 NCC1CCNC1 MC431426 [0,1,0,0,1,0|1,0,0]=3 455 B7R1.1 NCC1CCOC1 MC102307 [0,1,0,0,1,0|1,0,0]=3 456 B7R1.1 NCC1CCOC1 MC103862 [0,1,0,0,1,0|1,0,0]=3 457 B7R1.1 NCC1CCOC1 MC115675 [0,1,0,0,1,0|1,0,0]=3 458 B7R1.1 NCC1CCOC1 MC121256 [0,1,0,0,1,0|1,0,0]=3 459 B7R1.1 O=CC1CCCC1 MC21048 [0,1,0,0,1,0|0,0,1]=3 460 B7R1.1 OCC1CC=CC1 CS20734 [0,1,0,0,1,0|0,0,2]=4 461 B7R1.1 OCC1CCCC1 CS11185 [0,1,0,0,1,0|0,0,0]=2 462 B7R1.1 OCC1CCCN1 CS17003 [0,1,0,0,1,0|0,0,0]=2 463 B7R1.1 OCC1CCCN1 CS22640 [0,1,0,0,1,0|0,0,0]=2 464 B7R1.1 OCC1CCCO1 MC20392 [0,1,0,0,1,0|1,0,0]=3 465 B7R1.1 OCC1CCNC1 CS11284 [0,1,0,0,1,0|1,0,0]=3 466 B7R1.1 OCC1CCNC1 CS16764 [0,1,0,0,1,0|1,0,0]=3 467 B7R1.1 OCC1CCNC1 CS18341 [0,1,0,0,1,0|1,0,0]=3 468 B7R1.1 OCC1CCNC1 MC102405 [0,1,0,0,1,0|1,0,0]=3 469 B7R1.1 OCC1CCNC1 MC115660 [0,1,0,0,1,0|1,0,0]=3 470 B7R1.1 OCC1CCOC1 MC113000 [0,1,0,0,1,0|1,0,0]=3 471 B7R1.1 OCC1CCOC1 MC113001 [0,1,0,0,1,0|1,0,0]=3 472 B7R1.1 OCC1CCOC1 MC427704 [0,1,0,0,1,0|1,0,0]=3 473 B7R1.2 CC1CCC(C)N1 MC102818 [0,1,0,0,1,0|0,0,0]=2 474 B7R1.2 CC1COC(=O)N1 CS14300 [0,1,0,0,1,0|1,0,1]=4 475 B7R1.2 CN1CCC(=O)C1 CS20760 [0,1,0,0,1,0|1,0,1]=4 476 B7R1.2 CN1CCC(N)C1 MC444033 [0,1,0,0,1,0|1,0,0]=3 477 B7R1.2 CN1CCC(N)C1 MC444055 [0,1,0,0,1,0|1,0,0]=3 478 B7R1.2 CN1CCC(N)C1 MC444130 [0,1,0,0,1,0|1,0,0]=3 479 B7R1.2 CN1CCC(O)C1 MC20690 [0,1,0,0,1,0|1,0,0]=3 480 B7R1.2 CN1CCC(O)C1 MC444062 [0,1,0,0,1,0|1,0,0]=3 481 B7R1.2 CN1CCC(O)C1 MC444273 [0,1,0,0,1,0|1,0,0]=3 482 B7R1.2 NC1CCC(O)C1 CS12946 [0,1,0,0,1,0|1,0,0]=3 483 B7R1.2 NC1CCC(O)C1 CS14798 [0,1,0,0,1,0|1,0,0]=3 484 B7R1.2 NC1CCC(O)C1 CS15869 [0,1,0,0,1,0|1,0,0]=3 485 B7R1.2 NC1CCC(O)C1 CS16172 [0,1,0,0,1,0|1,0,0]=3 486 B7R1.2 NC1CNC(=O)C1 MC103473 [0,1,0,0,1,0|1,0,1]=4 487 B7R1.2 O=C1CC(O)CN1 CS14706 [0,1,0,0,1,0|1,0,1]=4 488 B7R1.2 O=C1CC(O)CN1 CS16472 [0,1,0,0,1,0|1,0,1]=4 489 B7R1.2 O=C1CCC(I)C1 MC115016 [0,1,0,0,1,0|1,0,1]=4 490 B7R1.4 CC1COCC1N MC444024 [0,1,0,0,1,0|1,0,0]=3 491 B7R1.4 CC1OCCC1=O CS14135 [0,1,0,0,1,0|1,0,1]=4 492 B7R1.4 CN1CCCC1=O MC41699 [0,1,0,0,1,0|1,0,1]=4 493 B7R1.4 NC1CCCC1O CS11147 [0,1,0,0,1,0|1,0,0]=3 494 B7R1.4 NC1CCCC1O CS15594 [0,1,0,0,1,0|1,0,0]=3 495 B7R1.4 NC1CCCC1O CS18884 [0,1,0,0,1,0|1,0,0]=3 496 B7R1.4 NC1CCCC1O CS19404 [0,1,0,0,1,0|1,0,0]=3 497 B7R1.4 NC1CCNC1=O MC107169 [0,1,0,0,1,0|1,0,1]=4 498 B7R1.4 NC1CCNC1=O MC115917 [0,1,0,0,1,0|1,0,1]=4 499 B7R1.4 NC1COCC1N MC101979 [0,1,0,0,1,0|2,0,0]=4 500 B7R1.4 NC1COCC1N MC101980 [0,1,0,0,1,0|2,0,0]=4 501 B7R1.4 NC1COCC1N MC103863 [0,1,0,0,1,0|2,0,0]=4 502 B7R1.4 NC1COCC1N MC113515 [0,1,0,0,1,0|2,0,0]=4 503 B7R1.4 NC1COCC1N MC444023 [0,1,0,0,1,0|2,0,0]=4 504 B7R1.4 NC1COCC1O MC105386 [0,1,0,0,1,0|2,0,0]=4 505 B7R1.4 NC1COCC1O MC105387 [0,1,0,0,1,0|2,0,0]=4 506 B7R1.4 NC1COCC1O MC431325 [0,1,0,0,1,0|2,0,0]=4 507 B7R1.4 O=C1CCCC1Br MC445112 [0,1,0,0,1,0|1,0,1]=4 508 B7R1.4 O=C1NCCC1O CS19486 [0,1,0,0,1,0|1,0,1]=4 509 B7R1.4 O=C1NCCC1O MC115910 [0,1,0,0,1,0|1,0,1]=4 510 B7R1.4 O=C1NCCC1O MC444274 [0,1,0,0,1,0|1,0,1]=4 511 B7R1.4 OC1CNCC1O CS20186 [0,1,0,0,1,0|2,0,0]=4 512 B7R1.4 OC1CNCC1O MC103857 [0,1,0,0,1,0|2,0,0]=4 513 B7R1.14 CC1(C)NCCS1 CS22651 [0,1,0,0,1,0|1,0,0]=3 514 B7R1.14 CC1(O)CCCC1 CS20768 [0,1,0,0,1,0|0,0,0]=2 515 B7R1.14 CC1(O)CCNC1 MC107172 [0,1,0,0,1,0|1,0,0]=3 516 B7R1.14 FC1(F)CCNC1 CS16398 [0,1,0,0,1,0|2,0,0]=4 517 B9R1.5 CN1CCCNCC1=O MC100103 [0,1,0,0,0,1|1,0,1]=4 518 B9R1.5 NC1CCCCNC1=O CS15569 [0,1,0,0,0,1|1,0,0]=3 519 B9R1.5 NC1CCCCNC1=O CS15816 [0,1,0,0,0,1|1,0,0]=3 520 B9R1.5 NC1CCCCNC1=O MC425745 [0,1,0,0,0,1|1,0,0]=3 521 B9R1.5 NC1CSCCNC1=O MC100169 [0,1,0,0,0,1|1,0,1]=4 522 B9R1.48 O=C1CCCNC(=O)C1 MC428135 [0,1,0,0,0,1|1,0,1]=4 523 B9R1.49 CN1CCCC(=O)CC1 CS13899 [0,1,0,0,0,1|2,0,0]=4 524 B9R1.49 CN1CCCC(N)CC1 MC444311 [0,1,0,0,0,1|2,0,0]=4 525 B9R1.49 CN1CCCC(O)CC1 CS13879 [0,1,0,0,0,1|2,0,0]=4 526 B9R1.89 COC1CCCNCC1 MC101899 [0,1,0,0,0,1|1,0,0]=3 527 B9R1.89 N#CC1CCCNCC1 MC425892 [0,1,0,0,0,1|1,0,1]=4 528 B9R1.89 OCC1CCCCNC1 MC105285 [0,1,0,0,0,1|0,0,0]=2 529 B9R1.148 FC1(F)CCCNCC1 MC101898 [0,1,0,0,0,1|2,0,0]=4 530 B9R1.1 CC1CCC(C#N)CN1 MC115577 [0,2,0,0,0,0|0,0,0]=2 531 B9R1.1 CN1CCC(CN)CC1 CS21766 [0,2,0,0,0,0|2,0,0]=4 532 B9R1.1 CN1CCC(CO)CC1 CS19632 [0,2,0,0,0,0|2,0,0]=4 533 B9R1.1 CN1CCC([Mg]Cl)CC1 MC121320 [0,2,0,0,0,0|2,0,0]=4 534 B9R1.1 CNC1CCC(=O)CC1 CS14610 [0,2,0,0,0,0|1,0,1]=4 535 B9R1.1 CNC1CCC(O)CC1 MC103812 [0,2,0,0,0,0|1,0,0]=3 536 B9R1.1 CNC1CCN(C)CC1 CS18451 [0,2,0,0,0,0|2,0,0]=4 537 B9R1.1 COC1CCC(=O)CC1 CS14437 [0,2,0,0,0,0|1,0,1]=4 538 B9R1.1 COC1CCC(N)CC1 CS13257 [0,2,0,0,0,0|1,0,0]=3 539 B9R1.1 COC1CCC(N)CC1 MC429972 [0,2,0,0,0,0|1,0,0]=3 540 B9R1.1 COC1CCC(O)CC1 CS15906 [0,2,0,0,0,0|1,0,0]=3 541 B9R1.1 N#CC1CCC(O)CC1 CS14344 [0,2,0,0,0,0|1,0,1]=4 542 B9R1.1 NC1CCC(CO)CC1 MC425647 [0,2,0,0,0,0|1,0,0]=3 543 B9R1.1 NCC1CCC(=O)NC1 MC101985 [0,2,0,0,0,0|1,0,1]=4 544 B9R1.1 NCC1CCC(O)CC1 MC102788 [0,2,0,0,0,0|1,0,0]=3 545 B9R1.1 NCC1CCC(O)CC1 MC103405 [0,2,0,0,0,0|1,0,0]=3 546 B9R1.1 NCC1CCC(O)CC1 MC104233 [0,2,0,0,0,0|1,0,0]=3 547 B9R1.2 CC1CCCC(CO)N1 MC104326 [0,2,0,0,0,0|0,0,0]=2 548 B9R1.2 CN1CCCC(CN)C1 CS18007 [0,2,0,0,0,0|2,0,0]=4 549 B9R1.2 CN1CCCC(CN)C1 MC103935 [0,2,0,0,0,0|2,0,0]=4 550 B9R1.2 CN1CCCC(CO)C1 MC425692 [0,2,0,0,0,0|2,0,0]=4 551 B9R1.2 CN1CCNC(CO)C1 MC431434 [0,2,0,0,0,0|1,0,0]=3 552 B9R1.2 CN1CCOC(CN)C1 CS21704 [0,2,0,0,0,0|2,0,0]=4 553 B9R1.2 NCC1CCNC(=O)C1 MC101902 [0,2,0,0,0,0|1,0,1]=4 554 B9R1.2 NCC1CCNC(=O)C1 MC102333 [0,2,0,0,0,0|1,0,1]=4 555 B9R1.2 O=C1CC(CO)CCN1 MC444199 [0,2,0,0,0,0|1,0,1]=4 556 B9R1.2 O=C1COCC(CO)N1 CS17255 [0,2,0,0,0,0|1,0,1]=4 557 B9R1.6 CC(=O)C1C=CCCC1 MC430670 [0,2,0,0,0,0|1,0,1]=4 558 B9R1.6 CC(=O)C1CCOCC1 CS13055 [0,2,0,0,0,0|2,0,0]=4 559 B9R1.6 CC(C)C1CNCCO1 CS16451 [0,2,0,0,0,0|2,0,0]=4 560 B9R1.6 CC(C)C1CNCCO1 MC444036 [0,2,0,0,0,0|2,0,0]=4 561 B9R1.6 CC(C)C1CNCCO1 MC444059 [0,2,0,0,0,0|2,0,0]=4 562 B9R1.6 CC(C)C1COCCN1 MC20926 [0,2,0,0,0,0|1,0,0]=3 563 B9R1.6 CC(C)C1COCCN1 MC444041 [0,2,0,0,0,0|1,0,0]=3 564 B9R1.6 CC(C)C1COCCN1 MC444063 [0,2,0,0,0,0|1,0,0]=3 565 B9R1.6 CC(C)C1COCCN1 MC444288 [0,2,0,0,0,0|1,0,0]=3 566 B9R1.6 CN(C)C1CCNCC1 CS14539 [0,2,0,0,0,0|2,0,0]=4 567 B9R1.6 FC(F)C1CCNCC1 MC442355 [0,2,0,0,0,0|2,0,0]=4 568 B9R1.6 NC(=O)C1CCCCN1 MC425161 [0,2,0,0,0,0|0,0,1]=3 569 B9R1.6 O=C(O)C1CCCCC1 CS16426 [0,2,0,0,0,0|1,0,1]=4 570 B9R1.6 O=C(O)C1CCCCN1 CS13937 [0,2,0,0,0,0|0,0,1]=3 571 B9R1.6 O=C(O)C1CCCCN1 CS18416 [0,2,0,0,0,0|0,0,1]=3 572 B9R1.6 O=C(O)C1CCCCN1 CS18418 [0,2,0,0,0,0|0,0,1]=3 573 B9R1.6 O=C(O)C1CCCCN1 CS18433 [0,2,0,0,0,0|0,0,1]=3 574 B9R1.6 O=C(O)C1CNCCN1 CS16953 [0,2,0,0,0,0|1,0,1]=4 575 B9R1.6 O=C(O)C1CNCCN1 CS17152 [0,2,0,0,0,0|1,0,1]=4 576 B9R1.6 O=C(O)C1CNCCN1 CS22631 [0,2,0,0,0,0|1,0,1]=4 577 B9R1.6 O=C(O)C1CNCCN1 CS22824 [0,2,0,0,0,0|1,0,1]=4 578 B9R1.6 O=C(O)C1COCCN1 CS16814 [0,2,0,0,0,0|1,0,1]=4 579 B9R1.6 O=C(O)C1COCCN1 CS17811 [0,2,0,0,0,0|1,0,1]=4 580 B9R1.6 O=C(O)C1CSCCN1 CS19640 [0,2,0,0,0,0|1,0,1]=4 581 B9R1.6 OB(O)C1CCCCC1 CS18573 [0,2,0,0,0,0|2,0,0]=4 582 B9R1.8 BrCCN1CCCCC1 CS16757 [0,2,0,0,0,0|2,0,0]=4 583 B9R1.8 Br[Zn]CC1CCCCC1 MC121338 [0,2,0,0,0,0|1,0,0]=3 584 B9R1.8 C#CCN1CCCCC1 CS15416 [0,2,0,0,0,0|2,0,0]=4 585 B9R1.8 CCNC1CCCCC1 CS11778 [0,2,0,0,0,0|1,0,0]=3 586 B9R1.8 CCOC1CCCNC1 CS13869 [0,2,0,0,0,0|2,0,0]=4 587 B9R1.8 CNCC1CCCOC1 MC104397 [0,2,0,0,0,0|2,0,0]=4 588 B9R1.8 COCC1CNCCO1 MC105771 [0,2,0,0,0,0|2,0,0]=4 589 B9R1.8 COCC1CNCCO1 MC444037 [0,2,0,0,0,0|2,0,0]=4 590 B9R1.8 COCC1CNCCO1 MC444190 [0,2,0,0,0,0|2,0,0]=4 591 B9R1.8 ClCCN1CCCCC1 CS19629 [0,2,0,0,0,0|2,0,0]=4 592 B9R1.8 N#CCC1CCCNC1 MC113061 [0,2,0,0,0,0|2,0,0]=4 593 B9R1.8 N#CCC1CCNCC1 MC121092 [0,2,0,0,0,0|2,0,0]=4 594 B9R1.8 N#CCC1CCNCC1 MC425238 [0,2,0,0,0,0|2,0,0]=4 595 B9R1.8 NCCC1CCCCC1 CS18358 [0,2,0,0,0,0|1,0,0]=3 596 B9R1.8 NCCC1CCOCC1 MC20509 [0,2,0,0,0,0|2,0,0]=4 597 B9R1.8 NCCN1CCCCC1 CS16099 [0,2,0,0,0,0|2,0,0]=4 598 B9R1.8 OCCC1CCCCN1 CS13732 [0,2,0,0,0,0|0,0,0]=2 599 B9R1.8 OCCC1CCCCN1 CS17564 [0,2,0,0,0,0|0,0,0]=2 600 B9R1.8 OCCC1CCCCN1 MC445188 [0,2,0,0,0,0|0,0,0]=2 601 B9R1.8 OCCC1CNCCN1 CS16449 [0,2,0,0,0,0|1,0,0]=3 602 B9R1.8 OCCC1CNCCN1 CS16450 [0,2,0,0,0,0|1,0,0]=3 603 B9R1.8 OCCC1CNCCN1 MC113929 [0,2,0,0,0,0|1,0,0]=3 604 B9R1.8 OCCC1CNCCO1 MC107498 [0,2,0,0,0,0|2,0,0]=4 605 B9R1.15 CC1NCCCC1C#N MC115576 [0,2,0,0,0,0|0,0,0]=2 606 B9R1.15 CCC1CNCCC1=O CS17950 [0,2,0,0,0,0|2,0,0]=4 607 B9R1.15 CN1CCCCC1CO CS16091 [0,2,0,0,0,0|0,0,0]=2 608 B9R1.15 CN1CCCCC1CO CS16092 [0,2,0,0,0,0|0,0,0]=2 609 B9R1.15 CN1CCCCC1CO CS18858 [0,2,0,0,0,0|0,0,0]=2 610 B9R1.15 CN1CCOCC1CN CS14994 [0,2,0,0,0,0|1,0,0]=3 611 B9R1.15 COC1CCCNC1=O CS12712 [0,2,0,0,0,0|1,0,1]=4 612 B9R1.15 COC1COCCC1N MC101953 [0,2,0,0,0,0|2,0,0]=4 613 B9R1.15 COC1COCCC1N MC101954 [0,2,0,0,0,0|2,0,0]=4 614 B9R1.15 COC1COCCC1N MC444021 [0,2,0,0,0,0|2,0,0]=4 615 B9R1.15 COC1COCCC1N MC444022 [0,2,0,0,0,0|2,0,0]=4 616 B9R1.15 N#CC1CCCCC1=O MC33325 [0,2,0,0,0,0|1,0,1]=4 617 B9R1.15 NCC1CCNCC1O MC105550 [0,2,0,0,0,0|2,0,0]=4 618 B9R1.15 NCC1CCNCC1O MC105642 [0,2,0,0,0,0|2,0,0]=4 619 B9R1.15 OCC1CCNCC1F MC121266 [0,2,0,0,0,0|2,0,0]=4 620 B9R1.118 C#CC1(C)CCCCC1 MC114544 [0,2,0,0,0,0|1,0,0]=3 621 B9R1.118 C#CC1(C)CCOCC1 MC104732 [0,2,0,0,0,0|2,0,0]=4 622 B9R1.118 CC1(C#N)CCNCC1 MC429050 [0,2,0,0,0,0|2,0,0]=4 623 B9R1.118 CC1(CN)CCOCC1 MC104731 [0,2,0,0,0,0|2,0,0]=4 624 B9R1.118 CC1(CO)CCCNC1 MC444219 [0,2,0,0,0,0|2,0,0]=4 625 B9R1.118 CC1(CO)CCNCC1 CS12640 [0,2,0,0,0,0|2,0,0]=4 626 B9R1.118 CCC1(O)CCCCC1 MC111123 [0,2,0,0,0,0|1,0,0]=3 627 B9R1.118 CCC1(O)CCNCC1 MC444349 [0,2,0,0,0,0|2,0,0]=4 628 B9R1.118 NC1(CO)CCOCC1 MC444316 [0,2,0,0,0,0|2,0,0]=4 629 B9R1.118 NC1(CO)CCOCC1 MC444317 [0,2,0,0,0,0|2,0,0]=4 630 B9R1.118 NCC1(F)CCOCC1 MC114975 [0,2,0,0,0,0|2,0,0]=4 631 B9R1.118 NCC1(O)CCOCC1 CS15150 [0,2,0,0,0,0|2,0,0]=4 632 B9R1.118 NCC1(O)CCOCC1 MC31193 [0,2,0,0,0,0|2,0,0]=4 633 B9R1.118 OC1(CBr)CCCCC1 MC107759 [0,2,0,0,0,0|1,0,0]=3 634 B9R1.118 OCC1(O)CCNCC1 MC429078 [0,2,0,0,0,0|2,0,0]=4 635 B9R1.118 OCC1(O)CCNCC1 MC444352 [0,2,0,0,0,0|2,0,0]=4 636 B9R1.10 C=C1CCC(C)(C)CC1 MC105700 [0,2,0,0,0,0|1,0,1]=4 637 B9R1.10 CC1(C)CCC(=O)CC1 CS22420 [0,2,0,0,0,0|1,0,1]=4 638 B9R1.10 CC1(C)CCC(O)CC1 CS22482 [0,2,0,0,0,0|1,0,0]=3 639 B9R1.10 CC1(N)CCC(O)CC1 MC103484 [0,2,0,0,0,0|1,0,0]=3 640 B9R1.10 CC1(O)CCC(=O)CC1 CS14351 [0,2,0,0,0,0|1,0,1]=4 641 B9R1.10 CC1(O)CCC(N)CC1 MC102206 [0,2,0,0,0,0|1,0,0]=3 642 B9R1.10 CC1(O)CCC(N)CC1 MC102207 [0,2,0,0,0,0|1,0,0]=3 643 B9R1.10 CC1(O)CCC(N)CC1 MC102208 [0,2,0,0,0,0|1,0,0]=3 644 B9R1.10 NC1CCC(F)(F)CC1 MC113813 [0,2,0,0,0,0|2,0,0]=4 645 B9R1.10 NC1CCC(F)(F)CC1 MC444299 [0,2,0,0,0,0|2,0,0]=4 646 B9R1.10 NC1CCC(F)(F)CC1 MC445108 [0,2,0,0,0,0|2,0,0]=4 647 B9R1.10 O=C1CCC(F)(F)CN1 MC105162 [0,2,0,0,0,0|1,0,1]=4 648 B9R1.10 OC1CCC(F)(F)CC1 CS12250 [0,2,0,0,0,0|2,0,0]=4 649 B9R1.69 CC1CC(N)CCN1C MC104351 [0,2,0,0,0,0|0,0,0]=2 650 B9R1.69 CC1CN(C)C(=O)CN1 MC104410 [0,2,0,0,0,0|1,0,1]=4 651 B9R1.69 CC1CN(C)C(=O)CN1 MC105415 [0,2,0,0,0,0|1,0,1]=4 652 B9R1.69 CC1CN(C)C(C)CN1 MC102181 [0,2,0,0,0,0|1,0,0]=3 653 B9R1.69 CC1CN(C)C(C)CN1 MC102182 [0,2,0,0,0,0|1,0,0]=3 654 B9R1.69 CN1CC(N)CCC1=O MC104028 [0,2,0,0,0,0|1,0,1]=4 655 B9R1.69 CN1CC(N)CCC1=O MC444375 [0,2,0,0,0,0|1,0,1]=4 656 B9R1.69 CN1CCC(N)CC1=O MC105288 [0,2,0,0,0,0|1,0,1]=4 657 B9R1.3 CC1C(=O)CCCC1=O CS10132 [0,2,0,0,0,0|1,0,1]=4 658 B9R1.3 CC1CCNC(C)C1Br MC427293 [0,2,0,0,0,0|0,0,0]=2 659 B9R1.3 CN1CCCC(N)C1=O MC103467 [0,2,0,0,0,0|1,0,1]=4 660 B9R1.3 CN1CCCC(N)C1=O MC104792 [0,2,0,0,0,0|1,0,1]=4 661 B9R1.3 CN1CCCC(N)C1=O MC106967 [0,2,0,0,0,0|1,0,1]=4 662 B9R1.34 CC1CC(=O)CC(C)O1 MC425912 [0,2,0,0,0,0|1,0,1]=4 663 B9R1.66 CC1(C)CC(=O)CCO1 CS17870 [0,2,0,0,0,0|1,0,1]=4 664 B9R1.66 CC1(C)CC(N)CCO1 MC115908 [0,2,0,0,0,0|1,0,0]=3 665 B9R1.66 CC1(C)CCCC(=O)C1 MC10482 [0,2,0,0,0,0|1,0,1]=4 666 B9R1.66 CC1CC(F)(F)CCN1 MC102365 [0,2,0,0,0,0|0,0,0]=2 667 B9R1.66 NC1CCCC(F)(F)C1 CS15007 [0,2,0,0,0,0|2,0,0]=4 668 B9R1.66 NC1CCCC(F)(F)C1 MC113461 [0,2,0,0,0,0|2,0,0]=4 669 B9R1.40 CC1(C)CCCOC1=O MC112082 [0,2,0,0,0,0|2,0,0]=4 670 B9R1.40 CC1(C)CNCCC1O CS12106 [0,2,0,0,0,0|2,0,0]=4 671 B9R1.40 CC1(C)COCCC1=O CS16380 [0,2,0,0,0,0|2,0,0]=4 672 B9R1.40 CC1CCNCC1(F)F MC104894 [0,2,0,0,0,0|2,0,0]=4 673 B9R1.40 CC1CNCCC1(F)F MC445665 [0,2,0,0,0,0|2,0,0]=4 674 B9R1.40 NC1CCCCC1(F)F CS15870 [0,2,0,0,0,0|2,0,0]=4 675 B9R1.40 NC1CCCCC1(F)F MC107605 [0,2,0,0,0,0|2,0,0]=4 676 B9R1.40 O=C1NCCCC1(Br)Br CS18534 [0,2,0,0,0,0|1,0,1]=4 677 B7R1.6 COCC1CCN1 MC103809 [0,0,1,1,0,0|1,0,0]=3 678 B7R1.6 COCC1CCN1 MC103810 [0,0,1,1,0,0|1,0,0]=3 679 B7R1.10 CNC1CC(O)C1 MC104910 [0,0,1,1,0,0|1,0,0]=3 680 B7R1.10 CNC1CC(O)C1 MC444221 [0,0,1,1,0,0|1,0,0]=3 681 B7R1.10 CNC1CN(C)C1 MC103651 [0,0,1,1,0,0|1,0,0]=3 682 B7R1.10 COC1CC(N)C1 MC102191 [0,0,1,1,0,0|2,0,0]=4 683 B7R1.10 COC1CC(N)C1 MC102192 [0,0,1,1,0,0|2,0,0]=4 684 B7R1.10 COC1CC(N)C1 MC105249 [0,0,1,1,0,0|2,0,0]=4 685 B7R1.10 COC1CC(N)C1 MC105250 [0,0,1,1,0,0|2,0,0]=4 686 B7R1.10 COC1CC(N)C1 MC112995 [0,0,1,1,0,0|2,0,0]=4 687 B7R1.10 COC1CC(N)C1 MC444289 [0,0,1,1,0,0|2,0,0]=4 688 B7R1.21 CCOC1(O)CC1 CS16017 [0,0,1,1,0,0|2,0,0]=4 689 B7R1.25 CC1(CN)CCC1 MC104689 [0,0,1,1,0,0|2,0,0]=4 690 B7R1.25 CC1(CN)CCC1 MC121097 [0,0,1,1,0,0|2,0,0]=4 691 B7R1.25 CC1(CO)CCO1 MC102954 [0,0,1,1,0,0|2,0,0]=4 692 B7R1.25 CNC1(C)COC1 MC115767 [0,0,1,1,0,0|1,0,0]=3 693 B7R1.25 COC1(C)CNC1 MC112993 [0,0,1,1,0,0|2,0,0]=4 694 B7R1.12 CC1CC1C(N)=O MC425328 [0,0,1,1,0,0|1,0,1]=4 695 B7R1.18 CC(O)C1CCC1 CS20672 [0,0,1,1,0,0|1,0,0]=3 696 B7R1.20 N=C(N)CC1CC1 MC114877 [0,0,1,1,0,0|1,0,1]=4 697 B7R1.24 C1CNCCNC1 MC31155 [0,0,1,1,0,0|1,0,0]=3 698 B7R1.24 C1CNCCOC1 CS17007 [0,0,1,1,0,0|1,0,0]=3 699 B7R2.13 C1CC2CC2N1 MC105462 [1,0,0,1,0,0|0,0,0]=2 700 B7R2.13 C1CC2CC2N1 MC121378 [1,0,0,1,0,0|0,0,0]=2 701 B7R2.13 C1NCC2CC12 MC104429 [1,0,0,1,0,0|0,0,0]=2 702 B7R2.13 C1NCC2CC12 MC425327 [1,0,0,1,0,0|0,0,0]=2 703 B7R2.11 C1NC2CC1C2 MC102501 [0,0,0,1,1,0|0,0,0]=2 704 B9R2.6 CC12CCNCC1C2 MC105242 [0,0,0,1,0,1|1,0,0]=3 705 B9R2.7 CN1CC2CNCC21 MC104160 [0,0,0,1,0,1|2,0,0]=4 706 B9R2.7 CN1CC2CNCC21 MC105327 [0,0,0,1,0,1|2,0,0]=4 707 B9R2.7 CN1CC2CNCC21 MC105328 [0,0,0,1,0,1|2,0,0]=4 708 B9R2.33 CN1CC2CNC2C1 MC104159 [0,0,0,1,0,1|2,0,0]=4 709 B9R2.33 CN1CC2CNC2C1 MC105329 [0,0,0,1,0,1|2,0,0]=4 710 B9R2.33 CN1CC2CNC2C1 MC105330 [0,0,0,1,0,1|2,0,0]=4 711 B9R2.68 C1=CC2CCC(C1)N2 MC107768 [0,0,0,1,0,1|2,0,0]=4 712 B9R2.68 C1CC2CCC(C1)N2 MC444465 [0,0,0,1,0,1|2,0,0]=4 713 B9R2.68 C1CC2CNCC1N2 CS15955 [0,0,0,1,0,1|1,0,0]=3 714 B9R2.68 C1CC2CNCC1O2 CS10860 [0,0,0,1,0,1|1,0,0]=3 715 B9R2.68 C1CC2COCC1N2 CS14923 [0,0,0,1,0,1|2,0,0]=4 716 B9R2.68 C1CC2COCC1N2 MC102946 [0,0,0,1,0,1|2,0,0]=4 717 B9R2.68 C1CC2COCC1N2 MC105474 [0,0,0,1,0,1|2,0,0]=4 718 B9R2.68 C1CN2CCC(C2)N1 MC103662 [0,0,0,1,0,1|0,0,0]=2 719 B9R2.68 C1CN2CCC(C2)N1 MC105589 [0,0,0,1,0,1|0,0,0]=2 720 B9R2.49 C1CC2CCC1CN2 MC425241 [0,1,0,1,0,0|0,0,0]=2 721 B9R2.49 C1CC2CNC1CO2 MC103904 [0,1,0,1,0,0|0,0,0]=2 722 B9R2.49 C1CC2CNC1CO2 MC444195 [0,1,0,1,0,0|0,0,0]=2 723 B9R2.49 C1CN2CCC1CC2 MC440084 [0,1,0,1,0,0|2,0,0]=4 724 B9R2.50 C1CNC2CNC2C1 MC105483 [0,1,0,1,0,0|0,0,0]=2 725 B9R2.53 OC1C2CNCC1C2 MC102420 [0,1,0,1,0,0|2,0,0]=4 726 B9R2.53 OC1C2CNCC1C2 MC104428 [0,1,0,1,0,0|2,0,0]=4 727 B9R2.56 OCC12CNCC1C2 MC102107 [0,1,0,1,0,0|2,0,0]=4 728 B9R2.56 OCC12CNCC1C2 MC104737 [0,1,0,1,0,0|2,0,0]=4 729 B9R2.65 OCC1C2CNCC12 MC104303 [0,1,0,1,0,0|2,0,0]=4 730 B9R2.65 OCC1C2CNCC12 MC444495 [0,1,0,1,0,0|2,0,0]=4 731 B9R2.70 N#CC1NCC2CC21 MC102402 [0,1,0,1,0,0|0,0,1]=3 732 B9R2.70 OCC1NCC2CC21 MC115689 [0,1,0,1,0,0|0,0,0]=2 733 B9R2.174 C1CC2(CCN1)CC2 CS16182 [0,1,0,1,0,0|2,0,0]=4 734 B9R2.174 C1CC2(CCN1)CC2 MC102060 [0,1,0,1,0,0|2,0,0]=4 735 B9R2.174 C1CCC2(CC2)NC1 MC121178 [0,1,0,1,0,0|0,0,0]=2 736 B9R2.174 C1CNC2(CC2)CN1 CS14777 [0,1,0,1,0,0|1,0,0]=3 737 B9R2.174 C1CNC2(CC2)CN1 MC104518 [0,1,0,1,0,0|1,0,0]=3 738 B9R2.174 C1CNC2(CC2)CN1 MC444304 [0,1,0,1,0,0|1,0,0]=3 739 B9R2.19 O=C1NCC2CC1N2 MC105469 [0,1,0,1,0,0|1,0,1]=4 740 B9R2.54 CN1CC2C(N)C2C1 MC444499 [0,1,0,1,0,0|2,0,0]=4 741 B9R2.39 CN1CC2CC1CN2 MC105470 [0,1,0,1,0,0|1,0,0]=3 742 B9R2.39 CN1CC2CC1CN2 MC105471 [0,1,0,1,0,0|1,0,0]=3 743 B9R2.39 CN1CC2CC1CN2 MC444003 [0,1,0,1,0,0|1,0,0]=3 744 B9R2.39 CN1CC2CC1CN2 MC444008 [0,1,0,1,0,0|1,0,0]=3 745 B9R2.39 OC1CC2CC1CN2 MC104240 [0,1,0,1,0,0|0,0,0]=2 746 B9R2.39 OC1CC2CCC1N2 MC105311 [0,1,0,1,0,0|2,0,0]=4 747 B9R2.39 OC1CC2CCC1N2 MC105312 [0,1,0,1,0,0|2,0,0]=4 748 B9R2.39 OC1CC2CNC1C2 MC104241 [0,1,0,1,0,0|0,0,0]=2 749 B9R2.39 OC1CC2CNC1C2 MC104242 [0,1,0,1,0,0|0,0,0]=2 750 B9R2.95 CC1(C)C2CNCC21 MC444399 [0,1,0,1,0,0|2,0,0]=4 751 B9R2.95 CC1(C)C2CNCC21 MC444400 [0,1,0,1,0,0|2,0,0]=4 752 B5R1.1 C1=CCNC1 MC10278 [1,0,0,0,1,0|0,0,2]=4 753 B5R1.1 C1CCNC1 MC41708 [1,0,0,0,1,0|0,0,0]=2 754 B5R1.1 C1CNNC1 CS16750 [1,0,0,0,1,0|1,0,0]=3 755 B5R1.2 BrC1CNC1 MC444255 [0,0,0,0,2,0|2,0,0]=4 756 B5R1.2 BrC1COC1 MC425330 [0,0,0,0,2,0|2,0,0]=4 757 B5R1.2 CC1CNC1 CS13089 [0,0,0,0,2,0|1,0,0]=3 758 B5R1.2 ClC1CNC1 MC444320 [0,0,0,0,2,0|2,0,0]=4 759 B5R1.2 FC1CNC1 CS22297 [0,0,0,0,2,0|2,0,0]=4 760 B5R1.2 FC1COC1 MC113065 [0,0,0,0,2,0|2,0,0]=4 761 B5R1.2 IC1CNC1 MC444286 [0,0,0,0,2,0|2,0,0]=4 762 B5R1.2 IC1COC1 MC10503 [0,0,0,0,2,0|2,0,0]=4 763 B5R1.2 NC1COC1 CS22388 [0,0,0,0,2,0|2,0,0]=4 764 B5R1.2 NC1COC1 MC425332 [0,0,0,0,2,0|2,0,0]=4 765 B5R1.2 NC1CSC1 MC102176 [0,0,0,0,2,0|2,0,0]=4 766 B5R1.2 NC1CSC1 MC115657 [0,0,0,0,2,0|2,0,0]=4 767 B5R1.2 O=C1CCC1 MC10479 [0,0,0,0,2,0|1,0,1]=4 768 B5R1.2 O=C1CCN1 MC31231 [0,0,0,0,2,0|1,0,1]=4 769 B5R1.2 OC1CCC1 CS11176 [0,0,0,0,2,0|1,0,0]=3 770 B5R1.2 OC1CNC1 CS14687 [0,0,0,0,2,0|2,0,0]=4 771 B5R1.2 OC1COC1 CS19329 [0,0,0,0,2,0|2,0,0]=4 772 B5R1.2 SC1COC1 MC101966 [0,0,0,0,2,0|2,0,0]=4 773 B9R1.50 O=C1CCCCCCN1 CS21316 [0,0,0,0,0,2|1,0,1]=4