0 B6R0.6 BrCCCCCBr MC41886 [0,0,0,0,0,0|2,0,0]=2 1 B6R0.6 BrCCNCCBr CS11032 [0,0,0,0,0,0|3,0,0]=3 2 B6R0.6 C#CCCCCO MC424004 [0,0,0,0,0,0|0,0,2]=2 3 B6R0.6 C=CCCCCCl MC427568 [0,0,0,0,0,0|1,0,2]=3 4 B6R0.6 C=CCCCCN MC111853 [0,0,0,0,0,0|1,0,2]=3 5 B6R0.6 C=CCCCCO CS10397 [0,0,0,0,0,0|0,0,2]=2 6 B6R0.6 C=CCCC[Zn]Br MC121349 [0,0,0,0,0,0|2,0,2]=4 7 B6R0.6 C=COCCCN MC41859 [0,0,0,0,0,0|2,0,2]=4 8 B6R0.6 CCCOCCCl MC428009 [0,0,0,0,0,0|2,0,0]=2 9 B6R0.6 COCCCC=O MC111975 [0,0,0,0,0,0|1,0,2]=3 10 B6R0.6 COCCCCBr CS22933 [0,0,0,0,0,0|2,0,0]=2 11 B6R0.6 COCCCCCl MC428014 [0,0,0,0,0,0|2,0,0]=2 12 B6R0.6 ClCCNCCCl CS16038 [0,0,0,0,0,0|3,0,0]=3 13 B6R0.6 ClCCOCCCl MC41873 [0,0,0,0,0,0|3,0,0]=3 14 B6R0.6 FCCCCCBr CS14708 [0,0,0,0,0,0|2,0,0]=2 15 B6R0.6 FCCCC[Mg]Br MC116032 [0,0,0,0,0,0|3,0,0]=3 16 B6R0.6 N#CCCCCCl CS10359 [0,0,0,0,0,0|2,0,1]=3 17 B6R0.6 NCCCCCN CS19074 [0,0,0,0,0,0|2,0,0]=2 18 B6R0.6 OCCCCCCl CS14778 [0,0,0,0,0,0|1,0,0]=1 19 B6R0.6 OCCCCCO CS20549 [0,0,0,0,0,0|1,0,0]=1 20 B6R0.6 OCCOCCO MC41893 [0,0,0,0,0,0|2,0,0]=2 21 B6R0.6 SCCOCCS MC112783 [0,0,0,0,0,0|2,1,0]=3 22 B5R0.2 BrCCCCBr MC41885 [1,0,0,0,0,0|2,0,0]=3 23 B5R0.2 CCCCCBr CS20657 [1,0,0,0,0,0|1,0,0]=2 24 B5R0.2 CCCC[Zn]Br MC121334 [1,0,0,0,0,0|2,0,0]=3 25 B5R0.2 CCOCCBr CS21396 [1,0,0,0,0,0|2,0,0]=3 26 B5R0.2 CCOCCCl MC428008 [1,0,0,0,0,0|2,0,0]=3 27 B5R0.2 CNCCC#N CS22369 [1,0,0,0,0,0|2,0,1]=4 28 B5R0.2 CNCCCO CS14200 [1,0,0,0,0,0|1,0,0]=2 29 B5R0.2 CNCCNC CS15116 [1,0,0,0,0,0|2,0,0]=3 30 B5R0.2 CNCCOC MC427349 [1,0,0,0,0,0|2,0,0]=3 31 B5R0.2 COCCC#N CS22345 [1,0,0,0,0,0|2,0,1]=4 32 B5R0.2 COCCCBr CS20649 [1,0,0,0,0,0|2,0,0]=3 33 B5R0.2 COCCCO CS20039 [1,0,0,0,0,0|1,0,0]=2 34 B5R0.2 COCCNN MC103229 [1,0,0,0,0,0|3,0,0]=4 35 B5R0.2 COCCNN MC107041 [1,0,0,0,0,0|3,0,0]=4 36 B5R0.2 COCCOC MC41899 [1,0,0,0,0,0|2,0,0]=3 37 B5R0.2 COCCOC MC445008 [1,0,0,0,0,0|2,0,0]=3 38 B5R0.2 N#CCCCBr MC433750 [1,0,0,0,0,0|2,0,1]=4 39 B5R0.2 NCCCCBr CS14979 [1,0,0,0,0,0|2,0,0]=3 40 B5R0.2 NCCCCN CS19906 [1,0,0,0,0,0|2,0,0]=3 41 B5R0.2 OC\C=C\CCl MC10262 [1,0,0,0,0,0|1,0,2]=4 42 B5R0.2 OC\C=C\CO MC41968 [1,0,0,0,0,0|1,0,2]=4 43 B5R0.2 OC\C=C\CO MC424009 [1,0,0,0,0,0|1,0,2]=4 44 B7R0.1 BrCCCCCCBr CS20550 [0,1,0,0,0,0|1,0,0]=2 45 B7R0.1 C#CCCCCCO CS10705 [0,1,0,0,0,0|0,0,1]=2 46 B7R0.1 C=CCCCCCBr CS19607 [0,1,0,0,0,0|1,0,1]=3 47 B7R0.1 COCCOCCN MC431493 [0,1,0,0,0,0|2,0,0]=3 48 B7R0.1 COCOCCC=O MC445436 [0,1,0,0,0,0|1,0,2]=4 49 B7R0.1 N#CCCCCCBr MC41862 [0,1,0,0,0,0|1,0,1]=3 50 B7R0.1 NCCCNCCBr CS13982 [0,1,0,0,0,0|2,0,0]=3 51 B7R0.1 NCCSSCCN CS11190 [0,1,0,0,0,0|3,0,0]=4 52 B7R0.1 NCC[Se][Se]CCN MC435603 [0,1,0,0,0,0|3,0,0]=4 53 B7R0.1 OCCCCCCBr CS14335 [0,1,0,0,0,0|0,0,0]=1 54 B7R0.3 C=CCCC(O)CCl MC114485 [0,1,0,0,0,0|1,0,2]=4 55 B7R0.3 CCC(O)CCCO MC116029 [0,1,0,0,0,0|0,0,0]=1 56 B7R0.3 COC(=O)CCCBr MC427387 [0,1,0,0,0,0|2,0,1]=4 57 B7R0.3 COC(=O)CCCN MC439309 [0,1,0,0,0,0|2,0,1]=4 58 B7R0.3 CSCCC(N)CO MC437961 [0,1,0,0,0,0|1,0,0]=2 59 B7R0.4 C#CCCCC(=O)O CS14686 [0,1,0,0,0,0|0,0,3]=4 60 B7R0.4 CC(=O)CCCCBr CS10627 [0,1,0,0,0,0|1,0,1]=3 61 B7R0.4 CC(O)CCCCO MC112436 [0,1,0,0,0,0|0,0,0]=1 62 B7R0.4 CCCCCB(O)O CS22305 [0,1,0,0,0,0|1,0,0]=2 63 B7R0.4 CCCCCC(C)O CS21570 [0,1,0,0,0,0|0,0,0]=1 64 B7R0.4 CCCOCC(=O)O MC425744 [0,1,0,0,0,0|1,0,1]=3 65 B7R0.4 CN(C)CCCCO CS22813 [0,1,0,0,0,0|1,0,0]=2 66 B7R0.4 COCCCC(C)N MC112163 [0,1,0,0,0,0|2,0,0]=3 67 B7R0.4 NCCCCC(=O)O MC428108 [0,1,0,0,0,0|1,0,1]=3 68 B7R0.4 NCCNCC(=O)O MC436179 [0,1,0,0,0,0|2,0,1]=4 69 B7R0.4 O=C(O)CCCCBr MC41866 [0,1,0,0,0,0|1,0,1]=3 70 B7R0.7 CCCC(N)CCO CS16692 [0,1,0,0,0,0|0,0,0]=1 71 B7R0.7 CCOC(=O)CCN CS14330 [0,1,0,0,0,0|2,0,1]=4 72 B7R0.7 CN(CCCl)CCCl CS11572 [0,1,0,0,0,0|3,0,0]=4 73 B7R0.7 COCC(N)COC CS21215 [0,1,0,0,0,0|3,0,0]=4 74 B7R0.7 O=C(CCCl)CCCl CS19912 [0,1,0,0,0,0|2,0,1]=4 75 B7R1.1 BrCC1CCCC1 MC20145 [0,0,0,1,0,0|1,0,0]=2 76 B7R1.1 BrCC1CCCN1 MC114648 [0,0,0,1,0,0|2,0,0]=3 77 B7R1.1 BrCC1CCCO1 MC106365 [0,0,0,1,0,0|1,0,0]=2 78 B7R1.1 BrCC1OCCO1 CS21401 [0,0,0,1,0,0|2,0,0]=3 79 B7R1.1 Br[Zn]C1CCCC1 MC121342 [0,0,0,1,0,0|2,0,0]=3 80 B7R1.1 C#CC1CCOC1 MC103679 [0,0,0,1,0,0|2,0,1]=4 81 B7R1.1 CCC1CCCN1 MC110951 [0,0,0,1,0,0|1,0,0]=2 82 B7R1.1 CNC1CCOC1 MC104966 [0,0,0,1,0,0|3,0,0]=4 83 B7R1.1 CNC1CCOC1 MC105597 [0,0,0,1,0,0|3,0,0]=4 84 B7R1.1 COC1=NCCC1 CS10423 [0,0,0,1,0,0|2,0,1]=4 85 B7R1.1 COC1CCCN1 MC41692 [0,0,0,1,0,0|2,0,0]=3 86 B7R1.1 COC1CCNC1 CS12136 [0,0,0,1,0,0|3,0,0]=4 87 B7R1.1 COC1CCNC1 CS12137 [0,0,0,1,0,0|3,0,0]=4 88 B7R1.1 COC1CCNC1 CS22350 [0,0,0,1,0,0|3,0,0]=4 89 B7R1.1 ClCC1OCCO1 MC428002 [0,0,0,1,0,0|2,0,0]=3 90 B7R1.1 FCC1CCCN1 MC100102 [0,0,0,1,0,0|2,0,0]=3 91 B7R1.1 FCC1CCNC1 MC103199 [0,0,0,1,0,0|2,0,0]=3 92 B7R1.1 N#CC1CCCC1 MC433761 [0,0,0,1,0,0|1,0,1]=3 93 B7R1.1 N#CC1CCCN1 MC104069 [0,0,0,1,0,0|2,0,1]=4 94 B7R1.1 N#CC1CCOC1 MC103877 [0,0,0,1,0,0|2,0,1]=4 95 B7R1.1 N#CC1CCOC1 MC103878 [0,0,0,1,0,0|2,0,1]=4 96 B7R1.1 NCC1CCCC1 CS14873 [0,0,0,1,0,0|1,0,0]=2 97 B7R1.1 NCC1CCCN1 CS15469 [0,0,0,1,0,0|2,0,0]=3 98 B7R1.1 NCC1CCCN1 CS15745 [0,0,0,1,0,0|2,0,0]=3 99 B7R1.1 NCC1CCNC1 MC431426 [0,0,0,1,0,0|2,0,0]=3 100 B7R1.1 NCC1CCOC1 MC102307 [0,0,0,1,0,0|2,0,0]=3 101 B7R1.1 NCC1CCOC1 MC103862 [0,0,0,1,0,0|2,0,0]=3 102 B7R1.1 NCC1CCOC1 MC115675 [0,0,0,1,0,0|2,0,0]=3 103 B7R1.1 NCC1CCOC1 MC121256 [0,0,0,1,0,0|2,0,0]=3 104 B7R1.1 O=CC1CCCC1 MC21048 [0,0,0,1,0,0|0,0,2]=3 105 B7R1.1 OCC1CC=CC1 CS20734 [0,0,0,1,0,0|0,0,2]=3 106 B7R1.1 OCC1CCCC1 CS11185 [0,0,0,1,0,0|0,0,0]=1 107 B7R1.1 OCC1CCCN1 CS17003 [0,0,0,1,0,0|1,0,0]=2 108 B7R1.1 OCC1CCCN1 CS22640 [0,0,0,1,0,0|1,0,0]=2 109 B7R1.1 OCC1CCCO1 MC20392 [0,0,0,1,0,0|1,0,0]=2 110 B7R1.1 OCC1CCNC1 CS11284 [0,0,0,1,0,0|1,0,0]=2 111 B7R1.1 OCC1CCNC1 CS16764 [0,0,0,1,0,0|1,0,0]=2 112 B7R1.1 OCC1CCNC1 CS18341 [0,0,0,1,0,0|1,0,0]=2 113 B7R1.1 OCC1CCNC1 MC102405 [0,0,0,1,0,0|1,0,0]=2 114 B7R1.1 OCC1CCNC1 MC115660 [0,0,0,1,0,0|1,0,0]=2 115 B7R1.1 OCC1CCOC1 MC113000 [0,0,0,1,0,0|1,0,0]=2 116 B7R1.1 OCC1CCOC1 MC113001 [0,0,0,1,0,0|1,0,0]=2 117 B7R1.1 OCC1CCOC1 MC427704 [0,0,0,1,0,0|1,0,0]=2 118 B7R1.3 BrC1CCCCC1 CS11079 [0,0,0,1,0,0|1,0,0]=2 119 B7R1.3 BrC1CCNCC1 CS18356 [0,0,0,1,0,0|2,0,0]=3 120 B7R1.3 BrC1CCOCC1 CS18193 [0,0,0,1,0,0|2,0,0]=3 121 B7R1.3 CC1CCCCN1 MC20418 [0,0,0,1,0,0|1,0,0]=2 122 B7R1.3 CC1CCCNC1 CS16133 [0,0,0,1,0,0|2,0,0]=3 123 B7R1.3 CC1CCCNC1 MC425227 [0,0,0,1,0,0|2,0,0]=3 124 B7R1.3 CC1CNCCN1 CS13503 [0,0,0,1,0,0|2,0,0]=3 125 B7R1.3 CC1CNCCN1 CS17164 [0,0,0,1,0,0|2,0,0]=3 126 B7R1.3 CC1CNCCN1 CS17167 [0,0,0,1,0,0|2,0,0]=3 127 B7R1.3 CC1CNCCO1 CS14515 [0,0,0,1,0,0|1,0,0]=2 128 B7R1.3 CC1CNCCO1 CS14521 [0,0,0,1,0,0|1,0,0]=2 129 B7R1.3 CC1CNCCO1 CS19299 [0,0,0,1,0,0|1,0,0]=2 130 B7R1.3 CC1CNCCO1 CS21692 [0,0,0,1,0,0|1,0,0]=2 131 B7R1.3 CC1CNCCO1 MC444038 [0,0,0,1,0,0|1,0,0]=2 132 B7R1.3 CC1CNCCO1 MC444192 [0,0,0,1,0,0|1,0,0]=2 133 B7R1.3 CC1COCCN1 CS14856 [0,0,0,1,0,0|2,0,0]=3 134 B7R1.3 CC1COCCN1 CS20285 [0,0,0,1,0,0|2,0,0]=3 135 B7R1.3 CC1COCCN1 CS22371 [0,0,0,1,0,0|2,0,0]=3 136 B7R1.3 CC1COCCN1 CS22413 [0,0,0,1,0,0|2,0,0]=3 137 B7R1.3 CC1COCCN1 MC20820 [0,0,0,1,0,0|2,0,0]=3 138 B7R1.3 CN1CCNCC1 MC20458 [0,0,0,1,0,0|3,0,0]=4 139 B7R1.3 ClC1CCNCC1 CS16938 [0,0,0,1,0,0|2,0,0]=3 140 B7R1.3 FC1CCCNC1 MC101908 [0,0,0,1,0,0|2,0,0]=3 141 B7R1.3 FC1CCCNC1 MC101918 [0,0,0,1,0,0|2,0,0]=3 142 B7R1.3 FC1CCCNC1 MC444270 [0,0,0,1,0,0|2,0,0]=3 143 B7R1.3 FC1CCNCC1 CS22845 [0,0,0,1,0,0|2,0,0]=3 144 B7R1.3 IC1CCOCC1 CS18194 [0,0,0,1,0,0|2,0,0]=3 145 B7R1.3 NC1CCCNC1 CS17178 [0,0,0,1,0,0|2,0,0]=3 146 B7R1.3 NC1CCCNC1 CS17182 [0,0,0,1,0,0|2,0,0]=3 147 B7R1.3 NC1CCCNC1 CS22655 [0,0,0,1,0,0|2,0,0]=3 148 B7R1.3 NC1CCOCC1 CS16997 [0,0,0,1,0,0|2,0,0]=3 149 B7R1.3 NC1CCOCC1 CS18985 [0,0,0,1,0,0|2,0,0]=3 150 B7R1.3 O=C1CCCCN1 MC429045 [0,0,0,1,0,0|1,0,2]=4 151 B7R1.3 O=C1CCCCO1 CS11208 [0,0,0,1,0,0|1,0,1]=3 152 B7R1.3 O=C1CCCNC1 CS14768 [0,0,0,1,0,0|1,0,2]=4 153 B7R1.3 O=C1CCCNC1 CS17767 [0,0,0,1,0,0|1,0,2]=4 154 B7R1.3 O=C1CCCOC1 MC31097 [0,0,0,1,0,0|1,0,2]=4 155 B7R1.3 O=C1CCNCC1 CS22790 [0,0,0,1,0,0|1,0,2]=4 156 B7R1.3 O=C1CCOCC1 CS13380 [0,0,0,1,0,0|1,0,2]=4 157 B7R1.3 O=C1CCSCC1 CS18797 [0,0,0,1,0,0|1,0,2]=4 158 B7R1.3 O=C1CNCCO1 MC441004 [0,0,0,1,0,0|2,0,1]=4 159 B7R1.3 O=C1COCCO1 MC20725 [0,0,0,1,0,0|2,0,1]=4 160 B7R1.3 OC1CCCNC1 CS17016 [0,0,0,1,0,0|1,0,0]=2 161 B7R1.3 OC1CCCNC1 CS17020 [0,0,0,1,0,0|1,0,0]=2 162 B7R1.3 OC1CCCNC1 CS22642 [0,0,0,1,0,0|1,0,0]=2 163 B7R1.3 OC1CCCOC1 CS17782 [0,0,0,1,0,0|1,0,0]=2 164 B7R1.3 OC1CCNCC1 CS14900 [0,0,0,1,0,0|1,0,0]=2 165 B7R1.3 OC1CCNCC1 CS22643 [0,0,0,1,0,0|1,0,0]=2 166 B7R1.3 OC1CCOCC1 CS13929 [0,0,0,1,0,0|1,0,0]=2 167 B7R1.3 OC1CCSCC1 CS12012 [0,0,0,1,0,0|1,0,0]=2 168 B7R1.3 SC1CCCNC1 MC105166 [0,0,0,1,0,0|1,1,0]=3 169 B7R1.3 SC1CCOCC1 MC107026 [0,0,0,1,0,0|1,1,0]=3 170 B7R1.4 CC1COCC1N MC444024 [0,0,0,1,0,0|2,0,0]=3 171 B7R1.4 CC1OCCC1=O CS14135 [0,0,0,1,0,0|1,0,2]=4 172 B7R1.4 CN1CCCC1=O MC41699 [0,0,0,1,0,0|1,0,2]=4 173 B7R1.4 NC1CCCC1O CS11147 [0,0,0,1,0,0|1,0,0]=2 174 B7R1.4 NC1CCCC1O CS15594 [0,0,0,1,0,0|1,0,0]=2 175 B7R1.4 NC1CCCC1O CS18884 [0,0,0,1,0,0|1,0,0]=2 176 B7R1.4 NC1CCCC1O CS19404 [0,0,0,1,0,0|1,0,0]=2 177 B7R1.4 NC1COCC1N MC101979 [0,0,0,1,0,0|3,0,0]=4 178 B7R1.4 NC1COCC1N MC101980 [0,0,0,1,0,0|3,0,0]=4 179 B7R1.4 NC1COCC1N MC103863 [0,0,0,1,0,0|3,0,0]=4 180 B7R1.4 NC1COCC1N MC113515 [0,0,0,1,0,0|3,0,0]=4 181 B7R1.4 NC1COCC1N MC444023 [0,0,0,1,0,0|3,0,0]=4 182 B7R1.4 NC1COCC1O MC105386 [0,0,0,1,0,0|2,0,0]=3 183 B7R1.4 NC1COCC1O MC105387 [0,0,0,1,0,0|2,0,0]=3 184 B7R1.4 NC1COCC1O MC431325 [0,0,0,1,0,0|2,0,0]=3 185 B7R1.4 O=C1CCCC1Br MC445112 [0,0,0,1,0,0|1,0,2]=4 186 B7R1.4 O=C1NCCC1O CS19486 [0,0,0,1,0,0|2,0,1]=4 187 B7R1.4 O=C1NCCC1O MC115910 [0,0,0,1,0,0|2,0,1]=4 188 B7R1.4 O=C1NCCC1O MC444274 [0,0,0,1,0,0|2,0,1]=4 189 B7R1.4 OC1CNCC1O CS20186 [0,0,0,1,0,0|2,0,0]=3 190 B7R1.4 OC1CNCC1O MC103857 [0,0,0,1,0,0|2,0,0]=3 191 B7R1.5 CC1CC1N=C=O MC121381 [0,0,0,1,0,0|1,0,2]=4 192 B7R1.6 COCC1CCN1 MC103809 [0,0,0,1,0,0|2,0,0]=3 193 B7R1.6 COCC1CCN1 MC103810 [0,0,0,1,0,0|2,0,0]=3 194 B7R1.6 COCC1CNC1 MC444220 [0,0,0,1,0,0|3,0,0]=4 195 B7R1.6 ClCCN1CCC1 MC103600 [0,0,0,1,0,0|2,0,0]=3 196 B7R1.6 N#CCC1CNC1 MC105355 [0,0,0,1,0,0|2,0,1]=4 197 B7R1.6 NNCC1CCC1 MC106836 [0,0,0,1,0,0|2,0,0]=3 198 B7R1.6 OCCN1CCC1 MC106862 [0,0,0,1,0,0|1,0,0]=2 199 B7R1.7 C=CCCC1CO1 MC42008 [0,0,0,1,0,0|0,0,2]=3 200 B7R1.8 CN1CCC1CN MC104666 [0,0,0,1,0,0|2,0,0]=3 201 B7R1.8 CN1CCC1CN MC104667 [0,0,0,1,0,0|2,0,0]=3 202 B7R1.8 CN1CCC1CN MC105491 [0,0,0,1,0,0|2,0,0]=3 203 B7R1.8 O=C1CCC1CO MC104211 [0,0,0,1,0,0|1,0,1]=3 204 B7R1.8 O=C1CCC1CO MC104212 [0,0,0,1,0,0|1,0,1]=3 205 B7R1.8 O=C1CCC1CO MC104213 [0,0,0,1,0,0|1,0,1]=3 206 B7R1.24 C1CNCCNC1 MC31155 [0,0,0,1,0,0|2,0,0]=3 207 B7R1.24 C1CNCCOC1 CS17007 [0,0,0,1,0,0|1,0,0]=2 208 B4R0.2 CCCC=O MC41868 [2,0,0,0,0,0|0,0,2]=4 209 B4R0.2 CCCCO MC41869 [2,0,0,0,0,0|0,0,0]=2 210 B4R0.2 CCC[Zn]Br MC121348 [2,0,0,0,0,0|2,0,0]=4 211 B4R0.2 CCNCC CS11240 [2,0,0,0,0,0|1,0,0]=3 212 B4R0.2 CCOCC MC41960 [2,0,0,0,0,0|1,0,0]=3 213 B4R0.2 CC[Zn]CC MC10752 [2,0,0,0,0,0|1,0,0]=3 214 B4R0.2 CNCCO CS20910 [2,0,0,0,0,0|1,0,0]=3 215 B4R0.2 COCCCl MC428007 [2,0,0,0,0,0|2,0,0]=4 216 B4R0.2 ClCCCBr MC41861 [2,0,0,0,0,0|2,0,0]=4 217 B4R0.2 NCCCBr CS22190 [2,0,0,0,0,0|2,0,0]=4 218 B4R0.2 NCCCS MC428180 [2,0,0,0,0,0|1,1,0]=4 219 B4R0.2 [NH3+]CCCS MC428140 [2,0,0,0,0,0|1,1,0]=4 220 B6R0.1 CCC(C)CCBr MC112369 [1,1,0,0,0,0|1,0,0]=3 221 B6R0.1 CCCC(C)CBr MC112368 [1,1,0,0,0,0|1,0,0]=3 222 B6R0.1 CCCC(O)CO CS20495 [1,1,0,0,0,0|0,0,0]=2 223 B6R0.1 CCOC(=O)CO CS11386 [1,1,0,0,0,0|1,0,1]=4 224 B6R0.1 OC(CBr)CCBr MC107100 [1,1,0,0,0,0|2,0,0]=4 225 B6R0.1 OC(CBr)CCBr MC107101 [1,1,0,0,0,0|2,0,0]=4 226 B6R0.1 OCCC(O)CO MC42234 [1,1,0,0,0,0|1,0,0]=3 227 B6R0.1 [NH3+]CCC(F)C[NH3+] MC112759 [1,1,0,0,0,0|2,0,0]=4 228 B6R0.4 CC(=O)CCCBr CS10305 [1,1,0,0,0,0|1,0,1]=4 229 B6R0.4 CC(=O)CCCCl CS10334 [1,1,0,0,0,0|1,0,1]=4 230 B6R0.4 CC(C)CCC=O MC428026 [1,1,0,0,0,0|0,0,2]=4 231 B6R0.4 CC(C)CCCO MC428025 [1,1,0,0,0,0|0,0,0]=2 232 B6R0.4 CC(C)NCCN MC20461 [1,1,0,0,0,0|2,0,0]=4 233 B6R0.4 CCCCC(=O)Cl MC40508 [1,1,0,0,0,0|0,0,2]=4 234 B6R0.4 CN(C)CCCBr CS22184 [1,1,0,0,0,0|2,0,0]=4 235 B6R0.4 CN(C)CCCCl CS13505 [1,1,0,0,0,0|2,0,0]=4 236 B6R0.4 CN(C)CCCCl CS14943 [1,1,0,0,0,0|2,0,0]=4 237 B6R0.4 CNCCN(C)C CS11723 [1,1,0,0,0,0|2,0,0]=4 238 B6R0.4 CNCCN(C)C CS15131 [1,1,0,0,0,0|2,0,0]=4 239 B6R0.4 NCCCC(=O)O CS14998 [1,1,0,0,0,0|1,0,1]=4 240 B6R0.4 O=C(O)CCCBr CS14053 [1,1,0,0,0,0|1,0,1]=4 241 B8R0.1 CCCC(C)CCCO MC112367 [0,2,0,0,0,0|0,0,0]=2 242 B8R0.1 CCOC(=O)CCCO MC111642 [0,2,0,0,0,0|0,0,1]=3 243 B8R0.4 C#CCCCCCCO CS10833 [0,2,0,0,0,0|0,0,0]=2 244 B8R0.4 CCCCCOCCO MC437002 [0,2,0,0,0,0|0,0,0]=2 245 B8R0.4 CCCCNCCCC CS11229 [0,2,0,0,0,0|1,0,0]=3 246 B8R0.4 CCC\C=C\C=C\CO CS17006 [0,2,0,0,0,0|0,0,2]=4 247 B8R0.4 COCCOCCOC MC41925 [0,2,0,0,0,0|1,0,0]=3 248 B8R0.4 N#CCCCCCC#N CS19974 [0,2,0,0,0,0|1,0,1]=4 249 B8R0.4 OCCCCCCCBr CS13415 [0,2,0,0,0,0|0,0,0]=2 250 B8R0.4 OCCCNCCCO CS21826 [0,2,0,0,0,0|0,0,0]=2 251 B8R0.6 C=CCOCC(O)CO MC436170 [0,2,0,0,0,0|0,0,2]=4 252 B8R0.6 CCCCCC(O)CCl MC114490 [0,2,0,0,0,0|0,0,0]=2 253 B8R0.6 CCCCNC(=O)CCl CS11766 [0,2,0,0,0,0|1,0,1]=4 254 B8R0.6 CCCSCC(=O)OC MC434048 [0,2,0,0,0,0|1,0,1]=4 255 B8R0.6 OCCCCC(O)CO MC41917 [0,2,0,0,0,0|0,0,0]=2 256 B8R0.6 OCCOCC(O)CO MC112470 [0,2,0,0,0,0|1,0,0]=3 257 B8R0.7 CCCCCCB(O)O MC31067 [0,2,0,0,0,0|0,0,0]=2 258 B8R0.7 CCNCCCN(C)C MC103675 [0,2,0,0,0,0|2,0,0]=4 259 B8R0.7 COCCOCC(=O)O MC10458 [0,2,0,0,0,0|1,0,1]=4 260 B8R0.7 CSCCCCC(=O)O MC112374 [0,2,0,0,0,0|0,0,1]=3 261 B8R0.7 NCCCCCC(=O)O CS13381 [0,2,0,0,0,0|0,0,1]=3 262 B8R0.7 O=C(O)CCCCCBr CS18405 [0,2,0,0,0,0|0,0,1]=3 263 B8R0.3 CCOC(=O)C(N)CO CS13449 [0,2,0,0,0,0|1,0,1]=4 264 B8R0.3 CCOC(=O)C(N)CO CS17107 [0,2,0,0,0,0|1,0,1]=4 265 B8R0.3 CCOC(=O)C(N)CO MC439193 [0,2,0,0,0,0|1,0,1]=4 266 B8R0.3 O=CCC(O)C(O)CO CS21863 [0,2,0,0,0,0|1,0,1]=4 267 B8R0.8 CCCCC(N)B(O)O MC442653 [0,2,0,0,0,0|1,0,0]=3 268 B8R0.8 CCCCC(N)C(=O)O MC428079 [0,2,0,0,0,0|0,0,1]=3 269 B8R0.8 CCCCC(N)C(=O)O MC428113 [0,2,0,0,0,0|0,0,1]=3 270 B8R0.8 CCCCC(N)C(=O)O MC428121 [0,2,0,0,0,0|0,0,1]=3 271 B8R0.8 CCCCC(N)C(N)=O MC438017 [0,2,0,0,0,0|0,0,2]=4 272 B8R0.8 CSCCC(N)C(=O)O CS18644 [0,2,0,0,0,0|1,0,1]=4 273 B8R0.8 CSCCC(N)C(=O)O MC428038 [0,2,0,0,0,0|1,0,1]=4 274 B8R0.8 CSCCC(N)C(=O)O MC428332 [0,2,0,0,0,0|1,0,1]=4 275 B8R0.8 C[Se]CCC(N)C(=O)O MC435432 [0,2,0,0,0,0|1,0,1]=4 276 B8R0.8 C[Se]CCC(N)C(=O)O MC435562 [0,2,0,0,0,0|1,0,1]=4 277 B8R0.8 NCCCC(N)C(=O)O CS22279 [0,2,0,0,0,0|1,0,1]=4 278 B8R0.8 NCCCC(N)C(=O)O MC438045 [0,2,0,0,0,0|1,0,1]=4 279 B8R0.8 NCCCC(N)C(=O)O MC439200 [0,2,0,0,0,0|1,0,1]=4 280 B8R0.9 CC(C)NCC(O)CO MC437813 [0,2,0,0,0,0|1,0,0]=3 281 B8R0.9 CC(C)NCC(O)CO MC437814 [0,2,0,0,0,0|1,0,0]=3 282 B8R0.9 CC(C)NCC(O)CO MC445487 [0,2,0,0,0,0|1,0,0]=3 283 B8R0.19 CC(CO)NC(C)CO CS17166 [0,2,0,0,0,0|2,0,0]=4 284 B8R0.5 CCOC(=O)CC(C)O CS11353 [0,2,0,0,0,0|1,0,1]=4 285 B8R0.5 CCOC(=O)CC(C)O CS18545 [0,2,0,0,0,0|1,0,1]=4 286 B8R0.21 CC(F)(F)CNCCO MC115105 [0,2,0,0,0,0|1,0,0]=3 287 B8R0.21 CCCCCS(=O)(=O)[O-] MC445019 [0,2,0,0,0,0|1,0,1]=4 288 B8R0.21 CCCCCS(=O)(=O)[O-] MC445025 [0,2,0,0,0,0|1,0,1]=4 289 B8R0.21 CS(=O)(=O)CCCCN MC116558 [0,2,0,0,0,0|2,0,0]=4 290 B8R0.28 CC(C)CCCC(C)N MC446672 [0,2,0,0,0,0|1,0,0]=3 291 B8R0.28 CN(C)CCCC(=O)O CS18615 [0,2,0,0,0,0|1,0,1]=4 292 B6R1.1 C1=CCOCC1 MC427315 [1,0,0,1,0,0|0,0,2]=4 293 B6R1.1 C1=COCCC1 MC20500 [1,0,0,1,0,0|0,0,2]=4 294 B6R1.1 C1CCCCC1 MC41853 [1,0,0,1,0,0|0,0,0]=2 295 B6R1.1 C1CCNNC1 CS17893 [1,0,0,1,0,0|2,0,0]=4 296 B6R1.1 C1CC[NH2+]CC1 CS16333 [1,0,0,1,0,0|1,0,0]=3 297 B6R1.1 C1CNCCN1 MC41703 [1,0,0,1,0,0|2,0,0]=4 298 B6R1.1 C1COCCN1 MC20726 [1,0,0,1,0,0|1,0,0]=3 299 B6R1.1 C1CSCCN1 MC20759 [1,0,0,1,0,0|1,1,0]=4 300 B6R1.2 BrC1CCNC1 CS15742 [1,0,0,1,0,0|2,0,0]=4 301 B6R1.2 BrC1CCOC1 CS14643 [1,0,0,1,0,0|2,0,0]=4 302 B6R1.2 CC1=NCCC1 CS21664 [1,0,0,1,0,0|1,0,1]=4 303 B6R1.2 CC1CCCN1 CS18299 [1,0,0,1,0,0|1,0,0]=3 304 B6R1.2 CC1CCCN1 CS18800 [1,0,0,1,0,0|1,0,0]=3 305 B6R1.2 CC1CCCN1 CS19735 [1,0,0,1,0,0|1,0,0]=3 306 B6R1.2 CC1CCCN1 CS21699 [1,0,0,1,0,0|1,0,0]=3 307 B6R1.2 CC1CCCN1 CS21700 [1,0,0,1,0,0|1,0,0]=3 308 B6R1.2 CC1CCCN1 MC428345 [1,0,0,1,0,0|1,0,0]=3 309 B6R1.2 CC1CCCO1 MC20580 [1,0,0,1,0,0|0,0,0]=2 310 B6R1.2 FC1CCNC1 CS12894 [1,0,0,1,0,0|2,0,0]=4 311 B6R1.2 FC1CCNC1 CS14870 [1,0,0,1,0,0|2,0,0]=4 312 B6R1.2 FC1CCNC1 MC31003 [1,0,0,1,0,0|2,0,0]=4 313 B6R1.2 IC1CCOC1 MC101926 [1,0,0,1,0,0|2,0,0]=4 314 B6R1.2 NC1CCOC1 CS12010 [1,0,0,1,0,0|2,0,0]=4 315 B6R1.2 NC1CCOC1 CS13003 [1,0,0,1,0,0|2,0,0]=4 316 B6R1.2 NC1CCOC1 CS20366 [1,0,0,1,0,0|2,0,0]=4 317 B6R1.2 NC1CCOC1 MC443324 [1,0,0,1,0,0|2,0,0]=4 318 B6R1.2 NC1CCOC1 MC444237 [1,0,0,1,0,0|2,0,0]=4 319 B6R1.2 O=C1CCCC1 MC21085 [1,0,0,1,0,0|0,0,2]=4 320 B6R1.2 OC1CC=CC1 MC10342 [1,0,0,1,0,0|0,0,2]=4 321 B6R1.2 OC1CCNC1 CS16166 [1,0,0,1,0,0|1,0,0]=3 322 B6R1.2 OC1CCNC1 CS16635 [1,0,0,1,0,0|1,0,0]=3 323 B6R1.2 OC1CCNC1 CS16650 [1,0,0,1,0,0|1,0,0]=3 324 B6R1.2 OC1CCNC1 CS17407 [1,0,0,1,0,0|1,0,0]=3 325 B6R1.2 OC1CCNC1 CS21757 [1,0,0,1,0,0|1,0,0]=3 326 B6R1.2 OC1CCOC1 CS20284 [1,0,0,1,0,0|1,0,0]=3 327 B6R1.2 OC1CCOC1 MC42235 [1,0,0,1,0,0|1,0,0]=3 328 B6R1.2 OC1CCOC1 MC444279 [1,0,0,1,0,0|1,0,0]=3 329 B6R1.3 N#CCC1CC1 MC433947 [1,0,0,1,0,0|1,0,1]=4 330 B6R1.3 NCCC1CC1 MC425320 [1,0,0,1,0,0|1,0,0]=3 331 B6R1.3 NCCN1CC1 MC100405 [1,0,0,1,0,0|2,0,0]=4 332 B6R1.3 NOCC1CC1 MC107884 [1,0,0,1,0,0|2,0,0]=4 333 B6R1.3 OCCC1CC1 MC433884 [1,0,0,1,0,0|0,0,0]=2 334 B6R1.4 NC1CCC1O MC111877 [1,0,0,1,0,0|1,0,0]=3 335 B6R1.6 BrCC1CCC1 MC10470 [1,0,0,1,0,0|1,0,0]=3 336 B6R1.6 BrCC1CCO1 MC444177 [1,0,0,1,0,0|1,0,0]=3 337 B6R1.6 CNC1CNC1 MC444567 [1,0,0,1,0,0|2,0,0]=4 338 B6R1.6 CNC1COC1 MC425340 [1,0,0,1,0,0|2,0,0]=4 339 B6R1.6 CNC1COC1 MC444120 [1,0,0,1,0,0|2,0,0]=4 340 B6R1.6 COC1CNC1 CS17370 [1,0,0,1,0,0|2,0,0]=4 341 B6R1.6 Cl[Zn]C1CCC1 MC121327 [1,0,0,1,0,0|2,0,0]=4 342 B6R1.6 ICC1COC1 MC101907 [1,0,0,1,0,0|2,0,0]=4 343 B6R1.6 NCC1CCC1 CS11178 [1,0,0,1,0,0|1,0,0]=3 344 B6R1.6 NCC1CCN1 MC121273 [1,0,0,1,0,0|2,0,0]=4 345 B6R1.6 NCC1CCO1 MC121118 [1,0,0,1,0,0|1,0,0]=3 346 B6R1.6 NCC1CNC1 MC105370 [1,0,0,1,0,0|2,0,0]=4 347 B6R1.6 NCC1COC1 MC10517 [1,0,0,1,0,0|2,0,0]=4 348 B6R1.6 NCC1CSC1 MC121257 [1,0,0,1,0,0|2,0,0]=4 349 B6R1.6 NNC1CCC1 MC111229 [1,0,0,1,0,0|2,0,0]=4 350 B6R1.6 OCC1CCN1 CS15230 [1,0,0,1,0,0|1,0,0]=3 351 B6R1.6 OCC1CCN1 MC102029 [1,0,0,1,0,0|1,0,0]=3 352 B6R1.6 OCC1CCN1 MC102030 [1,0,0,1,0,0|1,0,0]=3 353 B6R1.6 OCC1CCO1 CS15009 [1,0,0,1,0,0|1,0,0]=3 354 B6R1.6 OCC1CNC1 CS12891 [1,0,0,1,0,0|1,0,0]=3 355 B6R1.6 OCC1CNC1 MC444028 [1,0,0,1,0,0|1,0,0]=3 356 B6R1.6 OCC1COC1 CS14670 [1,0,0,1,0,0|1,0,0]=3 357 B6R1.8 OCC1CC1F MC102847 [1,0,0,1,0,0|1,0,0]=3 358 B6R1.8 OCC1CC1F MC102848 [1,0,0,1,0,0|1,0,0]=3 359 B6R1.8 OCC1CC1F MC102849 [1,0,0,1,0,0|1,0,0]=3 360 B6R1.8 OCC1CC1F MC102850 [1,0,0,1,0,0|1,0,0]=3 361 B8R1.2 BrCC1=CCCCC1 MC103521 [0,1,0,1,0,0|1,0,1]=4 362 B8R1.2 BrCC1CCCCC1 CS19887 [0,1,0,1,0,0|1,0,0]=3 363 B8R1.2 BrCC1CCCOC1 MC102393 [0,1,0,1,0,0|1,0,0]=3 364 B8R1.2 Br[Zn]C1CCCCC1 MC121343 [0,1,0,1,0,0|1,0,0]=3 365 B8R1.2 Br[Zn]C1CCOCC1 MC116068 [0,1,0,1,0,0|2,0,0]=4 366 B8R1.2 C#CC1CCCOC1 MC104582 [0,1,0,1,0,0|0,0,2]=4 367 B8R1.2 C#CC1CCSCC1 MC104148 [0,1,0,1,0,0|1,0,1]=4 368 B8R1.2 CCC1CNCCN1 MC31046 [0,1,0,1,0,0|1,0,0]=3 369 B8R1.2 CCC1CNCCN1 MC31080 [0,1,0,1,0,0|1,0,0]=3 370 B8R1.2 CCC1CNCCO1 MC444035 [0,1,0,1,0,0|0,0,0]=2 371 B8R1.2 CCC1CNCCO1 MC444058 [0,1,0,1,0,0|0,0,0]=2 372 B8R1.2 CCC1CNCCO1 MC444187 [0,1,0,1,0,0|0,0,0]=2 373 B8R1.2 CCC1COCCN1 MC20812 [0,1,0,1,0,0|1,0,0]=3 374 B8R1.2 CCC1COCCN1 MC444040 [0,1,0,1,0,0|1,0,0]=3 375 B8R1.2 CCC1COCCN1 MC444061 [0,1,0,1,0,0|1,0,0]=3 376 B8R1.2 CCC1COCCN1 MC444269 [0,1,0,1,0,0|1,0,0]=3 377 B8R1.2 CCN1CCNCC1 CS20680 [0,1,0,1,0,0|2,0,0]=4 378 B8R1.2 CNC1CCCNC1 CS22823 [0,1,0,1,0,0|2,0,0]=4 379 B8R1.2 CNC1CCOCC1 CS15192 [0,1,0,1,0,0|2,0,0]=4 380 B8R1.2 COC1CCCNC1 MC31194 [0,1,0,1,0,0|1,0,0]=3 381 B8R1.2 COC1CCCNC1 MC444290 [0,1,0,1,0,0|1,0,0]=3 382 B8R1.2 COC1CCNCC1 MC444354 [0,1,0,1,0,0|1,0,0]=3 383 B8R1.2 CON1CCNCC1 MC106159 [0,1,0,1,0,0|2,0,0]=4 384 B8R1.2 CSC1CCNCC1 MC444359 [0,1,0,1,0,0|1,1,0]=4 385 B8R1.2 ClCC1CNCCO1 MC106711 [0,1,0,1,0,0|1,0,0]=3 386 B8R1.2 Cl[Mg]C1CCOCC1 MC121322 [0,1,0,1,0,0|2,0,0]=4 387 B8R1.2 ICC1CCOCC1 MC31010 [0,1,0,1,0,0|1,0,0]=3 388 B8R1.2 N#CC1CCCCN1 MC105353 [0,1,0,1,0,0|1,0,1]=4 389 B8R1.2 N#CC1CCCCN1 MC444185 [0,1,0,1,0,0|1,0,1]=4 390 B8R1.2 N#CC1CCCNC1 MC105598 [0,1,0,1,0,0|1,0,1]=4 391 B8R1.2 N#CC1CCCNC1 MC444266 [0,1,0,1,0,0|1,0,1]=4 392 B8R1.2 N#CC1CCOCC1 CS12562 [0,1,0,1,0,0|1,0,1]=4 393 B8R1.2 N#CC1CNCCO1 MC442480 [0,1,0,1,0,0|1,0,1]=4 394 B8R1.2 NCC1CCCCC1 MC20908 [0,1,0,1,0,0|1,0,0]=3 395 B8R1.2 NCC1CCCCN1 CS22822 [0,1,0,1,0,0|1,0,0]=3 396 B8R1.2 NCC1CCCOC1 CS18439 [0,1,0,1,0,0|1,0,0]=3 397 B8R1.2 NCC1CCCOC1 MC105501 [0,1,0,1,0,0|1,0,0]=3 398 B8R1.2 NCC1CCCOC1 MC105502 [0,1,0,1,0,0|1,0,0]=3 399 B8R1.2 NCC1CCOCC1 CS18584 [0,1,0,1,0,0|1,0,0]=3 400 B8R1.2 NCC1CCSCC1 MC102976 [0,1,0,1,0,0|1,0,0]=3 401 B8R1.2 NCC1CCSCC1 MC111187 [0,1,0,1,0,0|1,0,0]=3 402 B8R1.2 NCC1COCCO1 MC444012 [0,1,0,1,0,0|1,0,0]=3 403 B8R1.2 NCC1COCCO1 MC444016 [0,1,0,1,0,0|1,0,0]=3 404 B8R1.2 NNC1CCCCC1 MC442574 [0,1,0,1,0,0|1,0,0]=3 405 B8R1.2 NNC1CCCCC1 MC442575 [0,1,0,1,0,0|1,0,0]=3 406 B8R1.2 NNC1CCOCC1 CS13041 [0,1,0,1,0,0|2,0,0]=4 407 B8R1.2 NNC1CCOCC1 CS20368 [0,1,0,1,0,0|2,0,0]=4 408 B8R1.2 NOC1CCCCO1 CS17026 [0,1,0,1,0,0|1,0,0]=3 409 B8R1.2 O=CC1CCCCC1 MC20143 [0,1,0,1,0,0|0,0,1]=3 410 B8R1.2 O=CC1CCCOC1 MC442323 [0,1,0,1,0,0|0,0,2]=4 411 B8R1.2 O=CC1CCOCC1 MC445812 [0,1,0,1,0,0|0,0,2]=4 412 B8R1.2 OCC1CCC=CO1 MC20505 [0,1,0,1,0,0|0,0,2]=4 413 B8R1.2 OCC1CCCCC1 MC20144 [0,1,0,1,0,0|0,0,0]=2 414 B8R1.2 OCC1CCCCN1 CS21780 [0,1,0,1,0,0|0,0,0]=2 415 B8R1.2 OCC1CCCNC1 CS15958 [0,1,0,1,0,0|0,0,0]=2 416 B8R1.2 OCC1CCCNC1 CS22817 [0,1,0,1,0,0|0,0,0]=2 417 B8R1.2 OCC1CCCOC1 MC31058 [0,1,0,1,0,0|0,0,0]=2 418 B8R1.2 OCC1CCNCC1 CS22819 [0,1,0,1,0,0|0,0,0]=2 419 B8R1.2 OCC1CCOCC1 CS18741 [0,1,0,1,0,0|0,0,0]=2 420 B8R1.2 OCC1CNCCO1 CS14518 [0,1,0,1,0,0|1,0,0]=3 421 B8R1.2 OCC1CNCCO1 CS15145 [0,1,0,1,0,0|1,0,0]=3 422 B8R1.2 OCC1CNCCO1 CS15312 [0,1,0,1,0,0|1,0,0]=3 423 B8R1.2 OCC1COCCN1 CS15269 [0,1,0,1,0,0|1,0,0]=3 424 B8R1.2 OCC1COCCN1 CS15280 [0,1,0,1,0,0|1,0,0]=3 425 B8R1.2 OCC1COCCN1 MC106628 [0,1,0,1,0,0|1,0,0]=3 426 B8R1.2 OCC1COCCN1 MC115923 [0,1,0,1,0,0|1,0,0]=3 427 B8R1.2 OCC1COCCN1 MC444278 [0,1,0,1,0,0|1,0,0]=3 428 B8R1.2 OCC1COCCO1 MC107175 [0,1,0,1,0,0|1,0,0]=3 429 B8R1.2 OCC1COCCO1 MC107176 [0,1,0,1,0,0|1,0,0]=3 430 B8R1.5 BrC1CCCCC1Br CS20488 [0,1,0,1,0,0|1,0,0]=3 431 B8R1.5 CC1CCNCC1=O MC105562 [0,1,0,1,0,0|0,0,2]=4 432 B8R1.5 CC1CCNCC1O MC103744 [0,1,0,1,0,0|0,0,0]=2 433 B8R1.5 CC1CCNCC1O MC103745 [0,1,0,1,0,0|0,0,0]=2 434 B8R1.5 CC1CCNCC1O MC105563 [0,1,0,1,0,0|0,0,0]=2 435 B8R1.5 CC1CCNCC1O MC105564 [0,1,0,1,0,0|0,0,0]=2 436 B8R1.5 CC1CCNCC1O MC444275 [0,1,0,1,0,0|0,0,0]=2 437 B8R1.5 CC1CNCCC1=O MC106748 [0,1,0,1,0,0|0,0,2]=4 438 B8R1.5 CC1CNCCN1C MC444011 [0,1,0,1,0,0|2,0,0]=4 439 B8R1.5 CC1CNCCN1C MC444015 [0,1,0,1,0,0|2,0,0]=4 440 B8R1.5 CC1COCCC1=O MC425868 [0,1,0,1,0,0|0,0,2]=4 441 B8R1.5 CC1COCCC1N MC100869 [0,1,0,1,0,0|1,0,0]=3 442 B8R1.5 CC1COCCC1N MC104730 [0,1,0,1,0,0|1,0,0]=3 443 B8R1.5 FC1CCNCC1F MC105603 [0,1,0,1,0,0|2,0,0]=4 444 B8R1.5 FC1CCNCC1F MC105604 [0,1,0,1,0,0|2,0,0]=4 445 B8R1.5 NC1CCCCC1N CS11826 [0,1,0,1,0,0|1,0,0]=3 446 B8R1.5 NC1CCCCC1N CS22821 [0,1,0,1,0,0|1,0,0]=3 447 B8R1.5 NC1CCCCC1O CS12403 [0,1,0,1,0,0|0,0,0]=2 448 B8R1.5 NC1CCCCC1O CS12547 [0,1,0,1,0,0|0,0,0]=2 449 B8R1.5 NC1CCCCC1O CS12548 [0,1,0,1,0,0|0,0,0]=2 450 B8R1.5 NC1CCCCC1O CS14928 [0,1,0,1,0,0|0,0,0]=2 451 B8R1.5 NC1CCCCC1O CS18590 [0,1,0,1,0,0|0,0,0]=2 452 B8R1.5 NC1CCCCC1O MC20710 [0,1,0,1,0,0|0,0,0]=2 453 B8R1.5 NC1CCCCC1O MC20824 [0,1,0,1,0,0|0,0,0]=2 454 B8R1.5 NC1CCOCC1O MC102103 [0,1,0,1,0,0|1,0,0]=3 455 B8R1.5 NC1CCOCC1O MC102104 [0,1,0,1,0,0|1,0,0]=3 456 B8R1.5 NC1CCOCC1O MC102509 [0,1,0,1,0,0|1,0,0]=3 457 B8R1.5 NC1COCCC1O MC427129 [0,1,0,1,0,0|1,0,0]=3 458 B8R1.5 O=C1NCCCC1O CS19689 [0,1,0,1,0,0|1,0,1]=4 459 B8R1.5 O=C1OCCCC1O CS16147 [0,1,0,1,0,0|1,0,1]=4 460 B8R1.5 OC1CCCCC1F MC107093 [0,1,0,1,0,0|0,0,0]=2 461 B8R1.5 OC1CCCCC1O CS12029 [0,1,0,1,0,0|0,0,0]=2 462 B8R1.5 OC1CCNCC1F MC101962 [0,1,0,1,0,0|1,0,0]=3 463 B8R1.5 OC1CCNCC1F MC103718 [0,1,0,1,0,0|1,0,0]=3 464 B8R1.5 OC1CCNCC1O MC101991 [0,1,0,1,0,0|1,0,0]=3 465 B8R1.5 OC1CCNCC1O MC111756 [0,1,0,1,0,0|1,0,0]=3 466 B8R1.5 OC1CCNCC1O MC116420 [0,1,0,1,0,0|1,0,0]=3 467 B8R1.5 OC1CNCCC1F MC101961 [0,1,0,1,0,0|1,0,0]=3 468 B8R1.8 BrCCC1OCCO1 CS18251 [0,1,0,1,0,0|1,0,0]=3 469 B8R1.8 Br[Zn]CC1OCCO1 MC121331 [0,1,0,1,0,0|2,0,0]=4 470 B8R1.8 C#CCN1CCCC1 MC443168 [0,1,0,1,0,0|1,0,1]=4 471 B8R1.8 C#CCN1CCCC1 MC443717 [0,1,0,1,0,0|1,0,1]=4 472 B8R1.8 COCC1CCCN1 CS20310 [0,1,0,1,0,0|1,0,0]=3 473 B8R1.8 COCC1CCNC1 MC104848 [0,1,0,1,0,0|1,0,0]=3 474 B8R1.8 COCC1CCNC1 MC105535 [0,1,0,1,0,0|1,0,0]=3 475 B8R1.8 ClCCN1CCCC1 CS15769 [0,1,0,1,0,0|1,0,0]=3 476 B8R1.8 ICCC1CCCC1 MC106254 [0,1,0,1,0,0|1,0,0]=3 477 B8R1.8 NCCC1CCCC1 CS15909 [0,1,0,1,0,0|1,0,0]=3 478 B8R1.8 OCCC1CCCN1 MC103847 [0,1,0,1,0,0|0,0,0]=2 479 B8R1.8 OCCC1CCCN1 MC106622 [0,1,0,1,0,0|0,0,0]=2 480 B8R1.10 OCCOC1CCC1 MC121362 [0,1,0,1,0,0|0,0,0]=2 481 B8R1.11 CN1CCCC1CN MC444032 [0,1,0,1,0,0|1,0,0]=3 482 B8R1.11 CN1CCCC1CN MC444049 [0,1,0,1,0,0|1,0,0]=3 483 B8R1.11 CN1CCCC1CO CS14186 [0,1,0,1,0,0|0,0,0]=2 484 B8R1.11 CN1CCCC1CO CS22816 [0,1,0,1,0,0|0,0,0]=2 485 B8R1.11 COC1CNCC1F MC102136 [0,1,0,1,0,0|2,0,0]=4 486 B8R1.11 N#CC1CCCC1N MC104396 [0,1,0,1,0,0|1,0,1]=4 487 B8R1.11 O=C1NCCC1CO MC104392 [0,1,0,1,0,0|1,0,1]=4 488 B8R1.22 CC1CCNCCN1 MC104490 [0,1,0,1,0,0|1,0,0]=3 489 B8R1.22 FC1CCCNCC1 MC103919 [0,1,0,1,0,0|1,0,0]=3 490 B8R1.22 NC1CCCCNC1 CS18624 [0,1,0,1,0,0|1,0,0]=3 491 B8R1.22 NC1CCCCNC1 MC104803 [0,1,0,1,0,0|1,0,0]=3 492 B8R1.22 NC1CCCCNC1 MC425605 [0,1,0,1,0,0|1,0,0]=3 493 B8R1.22 O=C1CCCNCC1 CS19096 [0,1,0,1,0,0|0,0,2]=4 494 B8R1.22 O=S1CCCNCC1 MC100495 [0,1,0,1,0,0|1,0,1]=4 495 B8R1.36 C#CCOCC1CO1 MC424007 [0,1,0,1,0,0|0,0,2]=4 496 B8R1.49 C1=CCCCCCC1 MC445004 [0,1,0,1,0,0|1,0,0]=3 497 B8R1.1 CN1CCC(CN)C1 MC104144 [0,1,0,1,0,0|2,0,0]=4 498 B8R1.1 CN1CCC(CN)C1 MC105308 [0,1,0,1,0,0|2,0,0]=4 499 B8R1.1 CN1CCC(CO)C1 MC102370 [0,1,0,1,0,0|1,0,0]=3 500 B8R1.1 CN1CCC(CO)C1 MC102371 [0,1,0,1,0,0|1,0,0]=3 501 B8R1.1 O=C1CCC(CO)N1 CS13834 [0,1,0,1,0,0|1,0,1]=4 502 B8R1.1 O=C1CCC(CO)N1 CS15562 [0,1,0,1,0,0|1,0,1]=4 503 B8R1.1 OCC1CC(O)CN1 CS20184 [0,1,0,1,0,0|1,0,0]=3 504 B8R1.3 C=C1CCC(C)CC1 MC105701 [0,1,0,1,0,0|1,0,1]=4 505 B8R1.3 CC1CNC(C)CN1 CS14078 [0,1,0,1,0,0|2,0,0]=4 506 B8R1.3 CC1CNC(C)CN1 MC103638 [0,1,0,1,0,0|2,0,0]=4 507 B8R1.3 CC1COC(C)CN1 MC107001 [0,1,0,1,0,0|1,0,0]=3 508 B8R1.3 CC1COC(C)CN1 MC107002 [0,1,0,1,0,0|1,0,0]=3 509 B8R1.3 CN1CCC(Cl)CC1 CS18485 [0,1,0,1,0,0|2,0,0]=4 510 B8R1.3 CN1CCC(N)CC1 CS18628 [0,1,0,1,0,0|2,0,0]=4 511 B8R1.3 CN1CCC(O)CC1 CS13491 [0,1,0,1,0,0|1,0,0]=3 512 B8R1.3 NC1CCC(=O)CC1 CS22583 [0,1,0,1,0,0|0,0,2]=4 513 B8R1.3 NC1CCC(N)CC1 CS18629 [0,1,0,1,0,0|1,0,0]=3 514 B8R1.3 NC1CCC(N)CC1 MC20732 [0,1,0,1,0,0|1,0,0]=3 515 B8R1.3 NC1CCC(O)CC1 CS12038 [0,1,0,1,0,0|0,0,0]=2 516 B8R1.3 NC1CCC(O)CC1 CS15381 [0,1,0,1,0,0|0,0,0]=2 517 B8R1.3 NC1CCC(O)CC1 CS18581 [0,1,0,1,0,0|0,0,0]=2 518 B8R1.3 NC1CCC(O)CC1 CS18592 [0,1,0,1,0,0|0,0,0]=2 519 B8R1.3 O=C1CCC(O)CC1 CS22889 [0,1,0,1,0,0|0,0,1]=3 520 B8R1.3 OC1CCC(O)CC1 CS20531 [0,1,0,1,0,0|0,0,0]=2 521 B8R1.3 OC1CCC(O)CC1 MC103601 [0,1,0,1,0,0|0,0,0]=2 522 B8R1.3 OC1COC(O)CO1 MC440451 [0,1,0,1,0,0|2,0,0]=4 523 B8R1.3 OC1CSC(O)CS1 MC41677 [0,1,0,1,0,0|2,0,0]=4 524 B8R1.52 CC1(CBr)CCOC1 MC104228 [0,1,0,1,0,0|2,0,0]=4 525 B8R1.52 CC1(CN)CCNC1 MC100100 [0,1,0,1,0,0|2,0,0]=4 526 B8R1.52 CC1(CN)CCOC1 MC103499 [0,1,0,1,0,0|2,0,0]=4 527 B8R1.52 CC1(CO)CCOC1 MC104227 [0,1,0,1,0,0|1,0,0]=3 528 B8R1.52 NC1(CO)CCOC1 MC103469 [0,1,0,1,0,0|1,0,0]=3 529 B8R1.52 NCC1(O)CCCC1 CS15390 [0,1,0,1,0,0|1,0,0]=3 530 B8R1.52 NCC1(O)CCCC1 MC31148 [0,1,0,1,0,0|1,0,0]=3 531 B8R1.52 OC1(CF)CCNC1 MC101973 [0,1,0,1,0,0|2,0,0]=4 532 B8R1.52 OCC1(F)CCCC1 MC443810 [0,1,0,1,0,0|0,0,0]=2 533 B8R1.52 OCC1(O)CCNC1 MC104779 [0,1,0,1,0,0|1,0,0]=3 534 B8R1.4 CC1=CC(O)CCC1 MC111652 [0,1,0,1,0,0|0,0,1]=3 535 B8R1.4 CC1CC(=O)CCN1 MC101989 [0,1,0,1,0,0|1,0,1]=4 536 B8R1.4 CC1CC(=O)CCN1 MC103769 [0,1,0,1,0,0|1,0,1]=4 537 B8R1.4 CC1CC(=O)CCN1 MC444193 [0,1,0,1,0,0|1,0,1]=4 538 B8R1.4 CC1CC(=O)CCO1 MC103799 [0,1,0,1,0,0|0,0,1]=3 539 B8R1.4 CC1CC(=O)CCO1 MC103800 [0,1,0,1,0,0|0,0,1]=3 540 B8R1.4 CC1CC(=O)CCO1 MC31001 [0,1,0,1,0,0|0,0,1]=3 541 B8R1.4 CC1CC(O)CCN1 MC102122 [0,1,0,1,0,0|1,0,0]=3 542 B8R1.4 CC1CC(O)CCN1 MC102123 [0,1,0,1,0,0|1,0,0]=3 543 B8R1.4 CC1CC(O)CCN1 MC102289 [0,1,0,1,0,0|1,0,0]=3 544 B8R1.4 CC1CC(O)CCO1 MC31218 [0,1,0,1,0,0|0,0,0]=2 545 B8R1.4 CC1CCNC(C)C1 CS21125 [0,1,0,1,0,0|1,0,0]=3 546 B8R1.4 CC1CN(C)CCN1 MC102815 [0,1,0,1,0,0|2,0,0]=4 547 B8R1.4 CC1CNCC(C)C1 CS14191 [0,1,0,1,0,0|2,0,0]=4 548 B8R1.4 CC1CNCC(C)N1 CS18625 [0,1,0,1,0,0|2,0,0]=4 549 B8R1.4 CC1CNCC(C)N1 CS21187 [0,1,0,1,0,0|2,0,0]=4 550 B8R1.4 CC1CNCC(C)N1 MC103637 [0,1,0,1,0,0|2,0,0]=4 551 B8R1.4 CC1CNCC(C)N1 MC104476 [0,1,0,1,0,0|2,0,0]=4 552 B8R1.4 CC1CNCC(C)N1 MC444588 [0,1,0,1,0,0|2,0,0]=4 553 B8R1.4 CC1CNCC(C)O1 MC121304 [0,1,0,1,0,0|1,0,0]=3 554 B8R1.4 CC1CNCC(C)O1 MC428243 [0,1,0,1,0,0|1,0,0]=3 555 B8R1.4 CC1CNCC(C)O1 MC444593 [0,1,0,1,0,0|1,0,0]=3 556 B8R1.4 CC1COCC(C)N1 MC103641 [0,1,0,1,0,0|2,0,0]=4 557 B8R1.4 CC1COCC(C)N1 MC104538 [0,1,0,1,0,0|2,0,0]=4 558 B8R1.4 CC1COCC(C)N1 MC105667 [0,1,0,1,0,0|2,0,0]=4 559 B8R1.4 CC1COCC(C)N1 MC105668 [0,1,0,1,0,0|2,0,0]=4 560 B8R1.4 CC1COCC(C)N1 MC113396 [0,1,0,1,0,0|2,0,0]=4 561 B8R1.4 CN1CCCC(N)C1 MC102357 [0,1,0,1,0,0|2,0,0]=4 562 B8R1.4 CN1CCCC(N)C1 MC444039 [0,1,0,1,0,0|2,0,0]=4 563 B8R1.4 CN1CCCC(N)C1 MC444227 [0,1,0,1,0,0|2,0,0]=4 564 B8R1.4 CN1CCCC(O)C1 MC445500 [0,1,0,1,0,0|1,0,0]=3 565 B8R1.4 NC1CCCC(N)C1 CS17066 [0,1,0,1,0,0|1,0,0]=3 566 B8R1.4 NC1CCCC(O)C1 CS17342 [0,1,0,1,0,0|0,0,0]=2 567 B8R1.4 NC1CCCC(O)C1 CS18558 [0,1,0,1,0,0|0,0,0]=2 568 B8R1.4 NC1CCCC(O)C1 MC116000 [0,1,0,1,0,0|0,0,0]=2 569 B8R1.4 NC1CCCC(O)C1 MC116001 [0,1,0,1,0,0|0,0,0]=2 570 B8R1.6 CCOC1CC(N)C1 MC105049 [0,1,0,1,0,0|2,0,0]=4 571 B8R1.6 CCOC1CC(N)C1 MC105050 [0,1,0,1,0,0|2,0,0]=4 572 B8R1.6 CCOC1CC(N)C1 MC105051 [0,1,0,1,0,0|2,0,0]=4 573 B8R1.7 CC(=O)C1CCCC1 CS20673 [0,1,0,1,0,0|0,0,2]=4 574 B8R1.7 CC(=O)C1CCCC1 MC445790 [0,1,0,1,0,0|0,0,2]=4 575 B8R1.7 O=C(O)C1CCCN1 CS18287 [0,1,0,1,0,0|1,0,1]=4 576 B8R1.7 O=C(O)C1CCCN1 CS18742 [0,1,0,1,0,0|1,0,1]=4 577 B8R1.7 O=C(O)C1CCCN1 CS22249 [0,1,0,1,0,0|1,0,1]=4 578 B8R1.7 O=C(O)C1CCCO1 CS16192 [0,1,0,1,0,0|1,0,1]=4 579 B8R1.7 O=C(O)C1CCCO1 CS18232 [0,1,0,1,0,0|1,0,1]=4 580 B8R1.7 O=C(O)C1CCCO1 MC20393 [0,1,0,1,0,0|1,0,1]=4 581 B8R1.7 O=C(O)C1CCNC1 CS18444 [0,1,0,1,0,0|1,0,1]=4 582 B8R1.7 O=C(O)C1CCNC1 CS19637 [0,1,0,1,0,0|1,0,1]=4 583 B8R1.7 O=C(O)C1CCOC1 CS19475 [0,1,0,1,0,0|1,0,1]=4 584 B8R1.7 O=C(O)C1CCOC1 MC444586 [0,1,0,1,0,0|1,0,1]=4 585 B8R1.7 OB(O)C1CCOC1 MC114068 [0,1,0,1,0,0|2,0,0]=4 586 B8R1.19 NC1CCCC1(F)F MC107609 [0,1,0,1,0,0|2,0,0]=4 587 B8R1.31 NC1CCC1C(=O)O MC104253 [0,1,0,1,0,0|1,0,1]=4 588 B8R1.31 NC1CCC1C(=O)O MC104335 [0,1,0,1,0,0|1,0,1]=4 589 B8R1.31 NC1CCC1C(=O)O MC104421 [0,1,0,1,0,0|1,0,1]=4 590 B8R1.31 NC1CCC1C(=O)O MC105420 [0,1,0,1,0,0|1,0,1]=4 591 B8R1.34 O=C(O)CC1CCC1 CS11177 [0,1,0,1,0,0|0,0,1]=3 592 B8R1.34 O=C(O)CC1CNC1 MC103917 [0,1,0,1,0,0|1,0,1]=4 593 B8R1.34 O=C(O)CC1CNC1 MC444240 [0,1,0,1,0,0|1,0,1]=4 594 B8R1.34 O=C(O)CC1COC1 MC444158 [0,1,0,1,0,0|1,0,1]=4 595 B8R1.35 O=C(O)CCC1CC1 CS19562 [0,1,0,1,0,0|0,0,1]=3 596 B8R1.48 OCC1CCC1(F)F MC103620 [0,1,0,1,0,0|1,0,0]=3 597 B8R1.72 CC1(C)CCNCC1 CS13819 [0,1,0,1,0,0|2,0,0]=4 598 B8R1.72 CC1(C)CNCCN1 CS18507 [0,1,0,1,0,0|2,0,0]=4 599 B8R1.72 CC1(C)CNCCO1 MC100077 [0,1,0,1,0,0|1,0,0]=3 600 B8R1.72 CC1(C)COCCN1 CS21909 [0,1,0,1,0,0|2,0,0]=4 601 B8R1.72 CC1(N)CCOCC1 CS14346 [0,1,0,1,0,0|2,0,0]=4 602 B8R1.72 CC1(N)CCOCC1 MC106879 [0,1,0,1,0,0|2,0,0]=4 603 B8R1.72 CC1(O)CCCNC1 MC444294 [0,1,0,1,0,0|1,0,0]=3 604 B8R1.72 CC1(O)CCNCC1 MC443374 [0,1,0,1,0,0|1,0,0]=3 605 B8R1.72 CC1(O)CCOCC1 CS12641 [0,1,0,1,0,0|1,0,0]=3 606 B8R1.72 FC1(F)CCCNC1 CS21902 [0,1,0,1,0,0|2,0,0]=4 607 B8R1.72 FC1(F)CCNCC1 CS18259 [0,1,0,1,0,0|2,0,0]=4 608 B8R1.72 OC1(O)CCNCC1 CS10106 [0,1,0,1,0,0|1,0,0]=3 609 B8R1.18 CC1CC(S)C(C)O1 MC115503 [0,1,0,1,0,0|1,1,0]=4 610 B8R1.37 COCC(N)C1CC1 MC425319 [0,1,0,1,0,0|2,0,0]=4 611 B8R1.66 NC1(CCO)COC1 MC105159 [0,1,0,1,0,0|1,0,0]=3 612 B8R1.66 OCCC1(F)COC1 MC102472 [0,1,0,1,0,0|1,0,0]=3 613 B8R2.11 C12CNCC1C2O MC102023 [0,0,0,2,0,0|1,0,0]=3 614 B8R2.22 C1CC2CNCC12 MC103502 [0,0,0,2,0,0|1,0,0]=3 615 B8R2.22 C1CC2CNCC12 MC105043 [0,0,0,2,0,0|1,0,0]=3 616 B8R2.34 C1=CC2CCC1C2 CS11805 [0,0,0,2,0,0|1,0,1]=4 617 B8R2.34 C1CC2CCC1N2 CS10780 [0,0,0,2,0,0|1,0,0]=3 618 B8R2.34 C1CC2CCC1N2 MC113036 [0,0,0,2,0,0|1,0,0]=3 619 B8R2.34 C1OC2CNC1C2 CS12565 [0,0,0,2,0,0|1,0,0]=3 620 B8R2.34 C1OC2CNC1C2 MC102221 [0,0,0,2,0,0|1,0,0]=3 621 B8R2.34 C1OC2CNC1C2 MC103903 [0,0,0,2,0,0|1,0,0]=3 622 B8R2.34 C1OC2CNC1C2 MC105588 [0,0,0,2,0,0|1,0,0]=3 623 B8R2.34 C1OC2CNC1C2 MC31167 [0,0,0,2,0,0|1,0,0]=3 624 B8R2.34 C1OC2CNC1C2 MC444007 [0,0,0,2,0,0|1,0,0]=3 625 B8R2.55 C1CC2(CC2)CN1 MC103447 [0,0,0,2,0,0|2,0,0]=4 626 B8R2.55 C1CNC2(C1)CC2 MC103449 [0,0,0,2,0,0|1,0,0]=3 627 B8R2.18 NC1CC2CC2C1 MC103540 [0,0,0,2,0,0|1,0,0]=3 628 B8R2.23 C1NCC2CC1C2 MC115688 [0,0,0,2,0,0|2,0,0]=4 629 B8R2.23 C1NCC2CC1O2 MC102903 [0,0,0,2,0,0|1,0,0]=3 630 B8R2.23 C1OCC2CC1N2 MC116488 [0,0,0,2,0,0|2,0,0]=4 631 B8R2.25 C1CC2CC2CN1 MC105241 [0,0,0,2,0,0|1,0,0]=3 632 B8R2.25 C1CC2OC2CO1 MC427300 [0,0,0,2,0,0|1,0,0]=3 633 B8R2.25 C1CCC2OC2C1 MC41785 [0,0,0,2,0,0|0,0,0]=2 634 B8R2.25 C1COC2CC2N1 MC106168 [0,0,0,2,0,0|1,0,0]=3 635 B8R2.42 C1CC2(C1)CCN2 MC102079 [0,0,0,2,0,0|1,0,0]=3 636 B8R2.42 C1CC2(C1)CNC2 MC444165 [0,0,0,2,0,0|2,0,0]=4 637 B8R2.42 C1CC2(CNC2)O1 MC102072 [0,0,0,2,0,0|1,0,0]=3 638 B8R2.42 C1CC2(CNC2)O1 MC102331 [0,0,0,2,0,0|1,0,0]=3 639 B8R2.42 C1CC2(COC2)N1 MC102341 [0,0,0,2,0,0|2,0,0]=4 640 B8R2.42 C1CC2(COC2)N1 MC115573 [0,0,0,2,0,0|2,0,0]=4 641 B8R2.24 C1CC1NC2CC2 CS15910 [0,0,0,2,0,0|2,0,0]=4