0 B7R0.1 BrCCCCCCBr CS20550 [0,0,0,0,0,0|2,0,0]=2 1 B7R0.1 C#CCCCCCO CS10705 [0,0,0,0,0,0|0,0,2]=2 2 B7R0.1 C=CCCCCCBr CS19607 [0,0,0,0,0,0|1,0,2]=3 3 B7R0.1 COCCOCCN MC431493 [0,0,0,0,0,0|3,0,0]=3 4 B7R0.1 COCOCCC=O MC445436 [0,0,0,0,0,0|2,0,2]=4 5 B7R0.1 N#CCCCCCBr MC41862 [0,0,0,0,0,0|2,0,1]=3 6 B7R0.1 NCCCNCCBr CS13982 [0,0,0,0,0,0|3,0,0]=3 7 B7R0.1 NCCSSCCN CS11190 [0,0,0,0,0,0|4,0,0]=4 8 B7R0.1 NCC[Se][Se]CCN MC435603 [0,0,0,0,0,0|4,0,0]=4 9 B7R0.1 OCCCCCCBr CS14335 [0,0,0,0,0,0|1,0,0]=1 10 B6R0.6 BrCCCCCBr MC41886 [1,0,0,0,0,0|2,0,0]=3 11 B6R0.6 BrCCNCCBr CS11032 [1,0,0,0,0,0|3,0,0]=4 12 B6R0.6 C#CCCCCO MC424004 [1,0,0,0,0,0|0,0,2]=3 13 B6R0.6 C=CCCCCCl MC427568 [1,0,0,0,0,0|1,0,2]=4 14 B6R0.6 C=CCCCCN MC111853 [1,0,0,0,0,0|1,0,2]=4 15 B6R0.6 C=CCCCCO CS10397 [1,0,0,0,0,0|0,0,2]=3 16 B6R0.6 CCCOCCCl MC428009 [1,0,0,0,0,0|2,0,0]=3 17 B6R0.6 COCCCC=O MC111975 [1,0,0,0,0,0|1,0,2]=4 18 B6R0.6 COCCCCBr CS22933 [1,0,0,0,0,0|2,0,0]=3 19 B6R0.6 COCCCCCl MC428014 [1,0,0,0,0,0|2,0,0]=3 20 B6R0.6 ClCCNCCCl CS16038 [1,0,0,0,0,0|3,0,0]=4 21 B6R0.6 ClCCOCCCl MC41873 [1,0,0,0,0,0|3,0,0]=4 22 B6R0.6 FCCCCCBr CS14708 [1,0,0,0,0,0|2,0,0]=3 23 B6R0.6 FCCCC[Mg]Br MC116032 [1,0,0,0,0,0|3,0,0]=4 24 B6R0.6 N#CCCCCCl CS10359 [1,0,0,0,0,0|2,0,1]=4 25 B6R0.6 NCCCCCN CS19074 [1,0,0,0,0,0|2,0,0]=3 26 B6R0.6 OCCCCCCl CS14778 [1,0,0,0,0,0|1,0,0]=2 27 B6R0.6 OCCCCCO CS20549 [1,0,0,0,0,0|1,0,0]=2 28 B6R0.6 OCCOCCO MC41893 [1,0,0,0,0,0|2,0,0]=3 29 B6R0.6 SCCOCCS MC112783 [1,0,0,0,0,0|2,1,0]=4 30 B8R0.1 CCCC(C)CCCO MC112367 [0,1,0,0,0,0|0,0,0]=1 31 B8R0.1 CCOC(=O)CCCO MC111642 [0,1,0,0,0,0|1,0,1]=3 32 B8R0.4 C#CCCCCCCO CS10833 [0,1,0,0,0,0|0,0,1]=2 33 B8R0.4 CCCCCOCCO MC437002 [0,1,0,0,0,0|0,0,0]=1 34 B8R0.4 CCCCNCCCC CS11229 [0,1,0,0,0,0|1,0,0]=2 35 B8R0.4 CCC\C=C\C=C\CO CS17006 [0,1,0,0,0,0|0,0,3]=4 36 B8R0.4 COCCOCCOC MC41925 [0,1,0,0,0,0|2,0,0]=3 37 B8R0.4 N#CCCCCCC#N CS19974 [0,1,0,0,0,0|1,0,2]=4 38 B8R0.4 OCCCCCCCBr CS13415 [0,1,0,0,0,0|0,0,0]=1 39 B8R0.4 OCCCNCCCO CS21826 [0,1,0,0,0,0|1,0,0]=2 40 B8R0.6 C=CCOCC(O)CO MC436170 [0,1,0,0,0,0|1,0,2]=4 41 B8R0.6 CCCCCC(O)CCl MC114490 [0,1,0,0,0,0|1,0,0]=2 42 B8R0.6 CCCCNC(=O)CCl CS11766 [0,1,0,0,0,0|2,0,1]=4 43 B8R0.6 OCCCCC(O)CO MC41917 [0,1,0,0,0,0|1,0,0]=2 44 B8R0.6 OCCOCC(O)CO MC112470 [0,1,0,0,0,0|2,0,0]=3 45 B8R0.7 CCCCCCB(O)O MC31067 [0,1,0,0,0,0|1,0,0]=2 46 B8R0.7 CCNCCCN(C)C MC103675 [0,1,0,0,0,0|3,0,0]=4 47 B8R0.7 COCCOCC(=O)O MC10458 [0,1,0,0,0,0|2,0,1]=4 48 B8R0.7 CSCCCCC(=O)O MC112374 [0,1,0,0,0,0|1,0,1]=3 49 B8R0.7 NCCCCCC(=O)O CS13381 [0,1,0,0,0,0|1,0,1]=3 50 B8R0.7 O=C(O)CCCCCBr CS18405 [0,1,0,0,0,0|1,0,1]=3 51 B8R1.2 BrCC1=CCCCC1 MC103521 [0,0,0,1,0,0|1,0,2]=4 52 B8R1.2 BrCC1CCCCC1 CS19887 [0,0,0,1,0,0|1,0,0]=2 53 B8R1.2 BrCC1CCCOC1 MC102393 [0,0,0,1,0,0|2,0,0]=3 54 B8R1.2 Br[Zn]C1CCCCC1 MC121343 [0,0,0,1,0,0|2,0,0]=3 55 B8R1.2 Br[Zn]C1CCOCC1 MC116068 [0,0,0,1,0,0|3,0,0]=4 56 B8R1.2 C#CC1CCCOC1 MC104582 [0,0,0,1,0,0|2,0,1]=4 57 B8R1.2 C#CC1CCSCC1 MC104148 [0,0,0,1,0,0|2,0,1]=4 58 B8R1.2 CCC1CNCCN1 MC31046 [0,0,0,1,0,0|2,0,0]=3 59 B8R1.2 CCC1CNCCN1 MC31080 [0,0,0,1,0,0|2,0,0]=3 60 B8R1.2 CCC1CNCCO1 MC444035 [0,0,0,1,0,0|1,0,0]=2 61 B8R1.2 CCC1CNCCO1 MC444058 [0,0,0,1,0,0|1,0,0]=2 62 B8R1.2 CCC1CNCCO1 MC444187 [0,0,0,1,0,0|1,0,0]=2 63 B8R1.2 CCC1COCCN1 MC20812 [0,0,0,1,0,0|2,0,0]=3 64 B8R1.2 CCC1COCCN1 MC444040 [0,0,0,1,0,0|2,0,0]=3 65 B8R1.2 CCC1COCCN1 MC444061 [0,0,0,1,0,0|2,0,0]=3 66 B8R1.2 CCC1COCCN1 MC444269 [0,0,0,1,0,0|2,0,0]=3 67 B8R1.2 CCN1CCNCC1 CS20680 [0,0,0,1,0,0|3,0,0]=4 68 B8R1.2 CNC1CCCNC1 CS22823 [0,0,0,1,0,0|3,0,0]=4 69 B8R1.2 CNC1CCOCC1 CS15192 [0,0,0,1,0,0|3,0,0]=4 70 B8R1.2 COC1CCCNC1 MC31194 [0,0,0,1,0,0|3,0,0]=4 71 B8R1.2 COC1CCCNC1 MC444290 [0,0,0,1,0,0|3,0,0]=4 72 B8R1.2 COC1CCNCC1 MC444354 [0,0,0,1,0,0|3,0,0]=4 73 B8R1.2 CSC1CCNCC1 MC444359 [0,0,0,1,0,0|3,0,0]=4 74 B8R1.2 ClCC1CNCCO1 MC106711 [0,0,0,1,0,0|2,0,0]=3 75 B8R1.2 Cl[Mg]C1CCOCC1 MC121322 [0,0,0,1,0,0|3,0,0]=4 76 B8R1.2 ICC1CCOCC1 MC31010 [0,0,0,1,0,0|2,0,0]=3 77 B8R1.2 N#CC1CCCCN1 MC105353 [0,0,0,1,0,0|2,0,1]=4 78 B8R1.2 N#CC1CCCCN1 MC444185 [0,0,0,1,0,0|2,0,1]=4 79 B8R1.2 N#CC1CCCNC1 MC105598 [0,0,0,1,0,0|2,0,1]=4 80 B8R1.2 N#CC1CCCNC1 MC444266 [0,0,0,1,0,0|2,0,1]=4 81 B8R1.2 N#CC1CCOCC1 CS12562 [0,0,0,1,0,0|2,0,1]=4 82 B8R1.2 N#CC1CNCCO1 MC442480 [0,0,0,1,0,0|2,0,1]=4 83 B8R1.2 NCC1CCCCC1 MC20908 [0,0,0,1,0,0|1,0,0]=2 84 B8R1.2 NCC1CCCCN1 CS22822 [0,0,0,1,0,0|2,0,0]=3 85 B8R1.2 NCC1CCCOC1 CS18439 [0,0,0,1,0,0|2,0,0]=3 86 B8R1.2 NCC1CCCOC1 MC105501 [0,0,0,1,0,0|2,0,0]=3 87 B8R1.2 NCC1CCCOC1 MC105502 [0,0,0,1,0,0|2,0,0]=3 88 B8R1.2 NCC1CCOCC1 CS18584 [0,0,0,1,0,0|2,0,0]=3 89 B8R1.2 NCC1CCSCC1 MC102976 [0,0,0,1,0,0|2,0,0]=3 90 B8R1.2 NCC1CCSCC1 MC111187 [0,0,0,1,0,0|2,0,0]=3 91 B8R1.2 NCC1COCCO1 MC444012 [0,0,0,1,0,0|2,0,0]=3 92 B8R1.2 NCC1COCCO1 MC444016 [0,0,0,1,0,0|2,0,0]=3 93 B8R1.2 NNC1CCCCC1 MC442574 [0,0,0,1,0,0|2,0,0]=3 94 B8R1.2 NNC1CCCCC1 MC442575 [0,0,0,1,0,0|2,0,0]=3 95 B8R1.2 NNC1CCOCC1 CS13041 [0,0,0,1,0,0|3,0,0]=4 96 B8R1.2 NNC1CCOCC1 CS20368 [0,0,0,1,0,0|3,0,0]=4 97 B8R1.2 NOC1CCCCO1 CS17026 [0,0,0,1,0,0|2,0,0]=3 98 B8R1.2 O=CC1CCCCC1 MC20143 [0,0,0,1,0,0|0,0,2]=3 99 B8R1.2 O=CC1CCCOC1 MC442323 [0,0,0,1,0,0|1,0,2]=4 100 B8R1.2 O=CC1CCOCC1 MC445812 [0,0,0,1,0,0|1,0,2]=4 101 B8R1.2 OCC1CCC=CO1 MC20505 [0,0,0,1,0,0|1,0,2]=4 102 B8R1.2 OCC1CCCCC1 MC20144 [0,0,0,1,0,0|0,0,0]=1 103 B8R1.2 OCC1CCCCN1 CS21780 [0,0,0,1,0,0|1,0,0]=2 104 B8R1.2 OCC1CCCNC1 CS15958 [0,0,0,1,0,0|1,0,0]=2 105 B8R1.2 OCC1CCCNC1 CS22817 [0,0,0,1,0,0|1,0,0]=2 106 B8R1.2 OCC1CCCOC1 MC31058 [0,0,0,1,0,0|1,0,0]=2 107 B8R1.2 OCC1CCNCC1 CS22819 [0,0,0,1,0,0|1,0,0]=2 108 B8R1.2 OCC1CCOCC1 CS18741 [0,0,0,1,0,0|1,0,0]=2 109 B8R1.2 OCC1CNCCO1 CS14518 [0,0,0,1,0,0|2,0,0]=3 110 B8R1.2 OCC1CNCCO1 CS15145 [0,0,0,1,0,0|2,0,0]=3 111 B8R1.2 OCC1CNCCO1 CS15312 [0,0,0,1,0,0|2,0,0]=3 112 B8R1.2 OCC1COCCN1 CS15269 [0,0,0,1,0,0|2,0,0]=3 113 B8R1.2 OCC1COCCN1 CS15280 [0,0,0,1,0,0|2,0,0]=3 114 B8R1.2 OCC1COCCN1 MC106628 [0,0,0,1,0,0|2,0,0]=3 115 B8R1.2 OCC1COCCN1 MC115923 [0,0,0,1,0,0|2,0,0]=3 116 B8R1.2 OCC1COCCN1 MC444278 [0,0,0,1,0,0|2,0,0]=3 117 B8R1.2 OCC1COCCO1 MC107175 [0,0,0,1,0,0|2,0,0]=3 118 B8R1.2 OCC1COCCO1 MC107176 [0,0,0,1,0,0|2,0,0]=3 119 B8R1.5 BrC1CCCCC1Br CS20488 [0,0,0,1,0,0|2,0,0]=3 120 B8R1.5 CC1CCNCC1=O MC105562 [0,0,0,1,0,0|1,0,2]=4 121 B8R1.5 CC1CCNCC1O MC103744 [0,0,0,1,0,0|1,0,0]=2 122 B8R1.5 CC1CCNCC1O MC103745 [0,0,0,1,0,0|1,0,0]=2 123 B8R1.5 CC1CCNCC1O MC105563 [0,0,0,1,0,0|1,0,0]=2 124 B8R1.5 CC1CCNCC1O MC105564 [0,0,0,1,0,0|1,0,0]=2 125 B8R1.5 CC1CCNCC1O MC444275 [0,0,0,1,0,0|1,0,0]=2 126 B8R1.5 CC1CNCCC1=O MC106748 [0,0,0,1,0,0|1,0,2]=4 127 B8R1.5 CC1CNCCN1C MC444011 [0,0,0,1,0,0|3,0,0]=4 128 B8R1.5 CC1CNCCN1C MC444015 [0,0,0,1,0,0|3,0,0]=4 129 B8R1.5 CC1COCCC1=O MC425868 [0,0,0,1,0,0|1,0,2]=4 130 B8R1.5 CC1COCCC1N MC100869 [0,0,0,1,0,0|2,0,0]=3 131 B8R1.5 CC1COCCC1N MC104730 [0,0,0,1,0,0|2,0,0]=3 132 B8R1.5 FC1CCNCC1F MC105603 [0,0,0,1,0,0|3,0,0]=4 133 B8R1.5 FC1CCNCC1F MC105604 [0,0,0,1,0,0|3,0,0]=4 134 B8R1.5 NC1CCCCC1N CS11826 [0,0,0,1,0,0|2,0,0]=3 135 B8R1.5 NC1CCCCC1N CS22821 [0,0,0,1,0,0|2,0,0]=3 136 B8R1.5 NC1CCCCC1O CS12403 [0,0,0,1,0,0|1,0,0]=2 137 B8R1.5 NC1CCCCC1O CS12547 [0,0,0,1,0,0|1,0,0]=2 138 B8R1.5 NC1CCCCC1O CS12548 [0,0,0,1,0,0|1,0,0]=2 139 B8R1.5 NC1CCCCC1O CS14928 [0,0,0,1,0,0|1,0,0]=2 140 B8R1.5 NC1CCCCC1O CS18590 [0,0,0,1,0,0|1,0,0]=2 141 B8R1.5 NC1CCCCC1O MC20710 [0,0,0,1,0,0|1,0,0]=2 142 B8R1.5 NC1CCCCC1O MC20824 [0,0,0,1,0,0|1,0,0]=2 143 B8R1.5 NC1CCOCC1O MC102103 [0,0,0,1,0,0|2,0,0]=3 144 B8R1.5 NC1CCOCC1O MC102104 [0,0,0,1,0,0|2,0,0]=3 145 B8R1.5 NC1CCOCC1O MC102509 [0,0,0,1,0,0|2,0,0]=3 146 B8R1.5 NC1COCCC1O MC427129 [0,0,0,1,0,0|2,0,0]=3 147 B8R1.5 O=C1NCCCC1O CS19689 [0,0,0,1,0,0|2,0,1]=4 148 B8R1.5 O=C1OCCCC1O CS16147 [0,0,0,1,0,0|2,0,1]=4 149 B8R1.5 OC1CCCCC1F MC107093 [0,0,0,1,0,0|1,0,0]=2 150 B8R1.5 OC1CCCCC1O CS12029 [0,0,0,1,0,0|1,0,0]=2 151 B8R1.5 OC1CCNCC1F MC101962 [0,0,0,1,0,0|2,0,0]=3 152 B8R1.5 OC1CCNCC1F MC103718 [0,0,0,1,0,0|2,0,0]=3 153 B8R1.5 OC1CCNCC1O MC101991 [0,0,0,1,0,0|2,0,0]=3 154 B8R1.5 OC1CCNCC1O MC111756 [0,0,0,1,0,0|2,0,0]=3 155 B8R1.5 OC1CCNCC1O MC116420 [0,0,0,1,0,0|2,0,0]=3 156 B8R1.5 OC1CNCCC1F MC101961 [0,0,0,1,0,0|2,0,0]=3 157 B8R1.8 BrCCC1OCCO1 CS18251 [0,0,0,1,0,0|2,0,0]=3 158 B8R1.8 Br[Zn]CC1OCCO1 MC121331 [0,0,0,1,0,0|3,0,0]=4 159 B8R1.8 C#CCN1CCCC1 MC443168 [0,0,0,1,0,0|2,0,1]=4 160 B8R1.8 C#CCN1CCCC1 MC443717 [0,0,0,1,0,0|2,0,1]=4 161 B8R1.8 COCC1CCCN1 CS20310 [0,0,0,1,0,0|2,0,0]=3 162 B8R1.8 COCC1CCNC1 MC104848 [0,0,0,1,0,0|3,0,0]=4 163 B8R1.8 COCC1CCNC1 MC105535 [0,0,0,1,0,0|3,0,0]=4 164 B8R1.8 ClCCN1CCCC1 CS15769 [0,0,0,1,0,0|2,0,0]=3 165 B8R1.8 ICCC1CCCC1 MC106254 [0,0,0,1,0,0|1,0,0]=2 166 B8R1.8 NCCC1CCCC1 CS15909 [0,0,0,1,0,0|1,0,0]=2 167 B8R1.8 OCCC1CCCN1 MC103847 [0,0,0,1,0,0|1,0,0]=2 168 B8R1.8 OCCC1CCCN1 MC106622 [0,0,0,1,0,0|1,0,0]=2 169 B8R1.10 OCCOC1CCC1 MC121362 [0,0,0,1,0,0|1,0,0]=2 170 B8R1.11 CN1CCCC1CN MC444032 [0,0,0,1,0,0|2,0,0]=3 171 B8R1.11 CN1CCCC1CN MC444049 [0,0,0,1,0,0|2,0,0]=3 172 B8R1.11 CN1CCCC1CO CS14186 [0,0,0,1,0,0|1,0,0]=2 173 B8R1.11 CN1CCCC1CO CS22816 [0,0,0,1,0,0|1,0,0]=2 174 B8R1.11 COC1CNCC1F MC102136 [0,0,0,1,0,0|3,0,0]=4 175 B8R1.11 N#CC1CCCC1N MC104396 [0,0,0,1,0,0|2,0,1]=4 176 B8R1.11 O=C1NCCC1CO MC104392 [0,0,0,1,0,0|2,0,1]=4 177 B8R1.22 CC1CCNCCN1 MC104490 [0,0,0,1,0,0|2,0,0]=3 178 B8R1.22 FC1CCCNCC1 MC103919 [0,0,0,1,0,0|2,0,0]=3 179 B8R1.22 NC1CCCCNC1 CS18624 [0,0,0,1,0,0|2,0,0]=3 180 B8R1.22 NC1CCCCNC1 MC104803 [0,0,0,1,0,0|2,0,0]=3 181 B8R1.22 NC1CCCCNC1 MC425605 [0,0,0,1,0,0|2,0,0]=3 182 B8R1.22 O=C1CCCNCC1 CS19096 [0,0,0,1,0,0|1,0,2]=4 183 B8R1.22 O=S1CCCNCC1 MC100495 [0,0,0,1,0,0|2,0,1]=4 184 B8R1.36 C#CCOCC1CO1 MC424007 [0,0,0,1,0,0|1,0,2]=4 185 B8R1.49 C1=CCCCCCC1 MC445004 [0,0,0,1,0,0|1,0,1]=3 186 B5R0.2 BrCCCCBr MC41885 [2,0,0,0,0,0|2,0,0]=4 187 B5R0.2 CCCCCBr CS20657 [2,0,0,0,0,0|1,0,0]=3 188 B5R0.2 CCCC[Zn]Br MC121334 [2,0,0,0,0,0|2,0,0]=4 189 B5R0.2 CCOCCBr CS21396 [2,0,0,0,0,0|2,0,0]=4 190 B5R0.2 CCOCCCl MC428008 [2,0,0,0,0,0|2,0,0]=4 191 B5R0.2 CNCCCO CS14200 [2,0,0,0,0,0|1,0,0]=3 192 B5R0.2 CNCCNC CS15116 [2,0,0,0,0,0|2,0,0]=4 193 B5R0.2 CNCCOC MC427349 [2,0,0,0,0,0|2,0,0]=4 194 B5R0.2 COCCCBr CS20649 [2,0,0,0,0,0|2,0,0]=4 195 B5R0.2 COCCCO CS20039 [2,0,0,0,0,0|1,0,0]=3 196 B5R0.2 COCCOC MC41899 [2,0,0,0,0,0|2,0,0]=4 197 B5R0.2 COCCOC MC445008 [2,0,0,0,0,0|2,0,0]=4 198 B5R0.2 NCCCCBr CS14979 [2,0,0,0,0,0|2,0,0]=4 199 B5R0.2 NCCCCN CS19906 [2,0,0,0,0,0|2,0,0]=4 200 B7R0.3 CCC(O)CCCO MC116029 [1,1,0,0,0,0|0,0,0]=2 201 B7R0.3 CSCCC(N)CO MC437961 [1,1,0,0,0,0|1,0,0]=3 202 B7R0.4 CC(=O)CCCCBr CS10627 [1,1,0,0,0,0|1,0,1]=4 203 B7R0.4 CC(O)CCCCO MC112436 [1,1,0,0,0,0|0,0,0]=2 204 B7R0.4 CCCCCB(O)O CS22305 [1,1,0,0,0,0|1,0,0]=3 205 B7R0.4 CCCCCC(C)O CS21570 [1,1,0,0,0,0|0,0,0]=2 206 B7R0.4 CCCOCC(=O)O MC425744 [1,1,0,0,0,0|1,0,1]=4 207 B7R0.4 CN(C)CCCCO CS22813 [1,1,0,0,0,0|1,0,0]=3 208 B7R0.4 COCCCC(C)N MC112163 [1,1,0,0,0,0|1,0,0]=3 209 B7R0.4 NCCCCC(=O)O MC428108 [1,1,0,0,0,0|1,0,1]=4 210 B7R0.4 O=C(O)CCCCBr MC41866 [1,1,0,0,0,0|1,0,1]=4 211 B7R0.7 CCCC(N)CCO CS16692 [1,1,0,0,0,0|0,0,0]=2 212 B7R0.7 COCC(N)COC CS21215 [1,1,0,0,0,0|2,0,0]=4 213 B9R0.4 C[Se]CCC(N)CC(=O)O MC435596 [0,2,0,0,0,0|1,0,1]=4 214 B9R0.4 C[Se]CCC(N)CC(=O)O MC435597 [0,2,0,0,0,0|1,0,1]=4 215 B9R0.5 CCCCCC(C)CCBr MC112329 [0,2,0,0,0,0|1,0,0]=3 216 B9R0.5 CCCCCC(C)CCO MC112328 [0,2,0,0,0,0|0,0,0]=2 217 B9R0.5 CCOC(=O)CCCCBr CS13726 [0,2,0,0,0,0|1,0,1]=4 218 B9R0.5 CCOC(=O)CCCCN CS14354 [0,2,0,0,0,0|1,0,1]=4 219 B9R0.18 CCCCC(N)CCCC MC428161 [0,2,0,0,0,0|1,0,0]=3 220 B9R0.18 O=C(CCCCl)CCCCl CS14305 [0,2,0,0,0,0|1,0,1]=4 221 B9R0.48 CCCC(C)CCC(=O)O MC112366 [0,2,0,0,0,0|0,0,1]=3 222 B9R0.2 CCCCCCCC(=O)Cl MC40496 [0,2,0,0,0,0|0,0,1]=3 223 B9R0.2 CCCCCCOC(=O)Cl CS11449 [0,2,0,0,0,0|0,0,2]=4 224 B9R0.2 CCCSCCCC(=O)O MC112372 [0,2,0,0,0,0|0,0,1]=3 225 B9R0.2 NCCCCCCC(=O)O CS10138 [0,2,0,0,0,0|0,0,1]=3 226 B9R0.2 O=C(O)CCCCCCO CS10820 [0,2,0,0,0,0|0,0,1]=3 227 B9R0.45 C#CCCCCCCCO MC424005 [0,2,0,0,0,0|0,0,0]=2 228 B9R0.45 C=COOOCCCCC MC438071 [0,2,0,0,0,0|2,0,0]=4 229 B9R0.45 CCCCCCCCNC CS15827 [0,2,0,0,0,0|1,0,0]=3 230 B9R0.45 ClCCCCCCCCCl CS20556 [0,2,0,0,0,0|1,0,0]=3 231 B9R0.45 NCCNCCNCCN MC34379 [0,2,0,0,0,0|2,0,0]=4 232 B9R0.45 NCCNCCNCCN MC34380 [0,2,0,0,0,0|2,0,0]=4 233 B9R0.45 OCCCCCCCCBr CS14609 [0,2,0,0,0,0|0,0,0]=2 234 B9R0.45 OCCCCCCCCO CS20567 [0,2,0,0,0,0|0,0,0]=2 235 B9R0.45 OCCOCCOCCO CS20932 [0,2,0,0,0,0|1,0,0]=3 236 B9R0.46 COC(=O)CCCCCN CS11662 [0,2,0,0,0,0|1,0,1]=4 237 B9R0.20 CCS(=O)(=O)CCCCN MC116554 [0,2,0,0,0,0|2,0,0]=4 238 B9R0.47 NCCCCC(N)C(=O)O CS18635 [0,2,0,0,0,0|1,0,1]=4 239 B9R0.47 NCCCCC(N)C(=O)O CS18638 [0,2,0,0,0,0|1,0,1]=4 240 B9R0.47 NCCCCC(N)C(=O)O CS19147 [0,2,0,0,0,0|1,0,1]=4 241 B9R0.47 NCCCCC(N)C(=O)O CS19277 [0,2,0,0,0,0|1,0,1]=4 242 B9R0.47 NCCCCC(N)C(=O)O MC20432 [0,2,0,0,0,0|1,0,1]=4 243 B9R0.47 NCCCCC(N)C(=O)O MC435005 [0,2,0,0,0,0|1,0,1]=4 244 B9R0.47 NCCCCC(N)C(=O)O MC439006 [0,2,0,0,0,0|1,0,1]=4 245 B9R0.38 CCCCCCS(=O)(=O)[O-] MC445020 [0,2,0,0,0,0|1,0,1]=4 246 B9R0.38 CCCCCCS(=O)(=O)[O-] MC445026 [0,2,0,0,0,0|1,0,1]=4 247 B7R1.1 BrCC1CCCC1 MC20145 [1,0,0,1,0,0|1,0,0]=3 248 B7R1.1 BrCC1CCCN1 MC114648 [1,0,0,1,0,0|2,0,0]=4 249 B7R1.1 BrCC1CCCO1 MC106365 [1,0,0,1,0,0|1,0,0]=3 250 B7R1.1 BrCC1OCCO1 CS21401 [1,0,0,1,0,0|2,0,0]=4 251 B7R1.1 Br[Zn]C1CCCC1 MC121342 [1,0,0,1,0,0|2,0,0]=4 252 B7R1.1 CCC1CCCN1 MC110951 [1,0,0,1,0,0|1,0,0]=3 253 B7R1.1 CNC1CCOC1 MC104966 [1,0,0,1,0,0|2,0,0]=4 254 B7R1.1 CNC1CCOC1 MC105597 [1,0,0,1,0,0|2,0,0]=4 255 B7R1.1 COC1CCCN1 MC41692 [1,0,0,1,0,0|2,0,0]=4 256 B7R1.1 COC1CCNC1 CS12136 [1,0,0,1,0,0|2,0,0]=4 257 B7R1.1 COC1CCNC1 CS12137 [1,0,0,1,0,0|2,0,0]=4 258 B7R1.1 COC1CCNC1 CS22350 [1,0,0,1,0,0|2,0,0]=4 259 B7R1.1 ClCC1OCCO1 MC428002 [1,0,0,1,0,0|2,0,0]=4 260 B7R1.1 FCC1CCCN1 MC100102 [1,0,0,1,0,0|2,0,0]=4 261 B7R1.1 FCC1CCNC1 MC103199 [1,0,0,1,0,0|2,0,0]=4 262 B7R1.1 N#CC1CCCC1 MC433761 [1,0,0,1,0,0|1,0,1]=4 263 B7R1.1 NCC1CCCC1 CS14873 [1,0,0,1,0,0|1,0,0]=3 264 B7R1.1 NCC1CCCN1 CS15469 [1,0,0,1,0,0|2,0,0]=4 265 B7R1.1 NCC1CCCN1 CS15745 [1,0,0,1,0,0|2,0,0]=4 266 B7R1.1 NCC1CCNC1 MC431426 [1,0,0,1,0,0|2,0,0]=4 267 B7R1.1 NCC1CCOC1 MC102307 [1,0,0,1,0,0|2,0,0]=4 268 B7R1.1 NCC1CCOC1 MC103862 [1,0,0,1,0,0|2,0,0]=4 269 B7R1.1 NCC1CCOC1 MC115675 [1,0,0,1,0,0|2,0,0]=4 270 B7R1.1 NCC1CCOC1 MC121256 [1,0,0,1,0,0|2,0,0]=4 271 B7R1.1 O=CC1CCCC1 MC21048 [1,0,0,1,0,0|0,0,2]=4 272 B7R1.1 OCC1CC=CC1 CS20734 [1,0,0,1,0,0|0,0,2]=4 273 B7R1.1 OCC1CCCC1 CS11185 [1,0,0,1,0,0|0,0,0]=2 274 B7R1.1 OCC1CCCN1 CS17003 [1,0,0,1,0,0|1,0,0]=3 275 B7R1.1 OCC1CCCN1 CS22640 [1,0,0,1,0,0|1,0,0]=3 276 B7R1.1 OCC1CCCO1 MC20392 [1,0,0,1,0,0|1,0,0]=3 277 B7R1.1 OCC1CCNC1 CS11284 [1,0,0,1,0,0|1,0,0]=3 278 B7R1.1 OCC1CCNC1 CS16764 [1,0,0,1,0,0|1,0,0]=3 279 B7R1.1 OCC1CCNC1 CS18341 [1,0,0,1,0,0|1,0,0]=3 280 B7R1.1 OCC1CCNC1 MC102405 [1,0,0,1,0,0|1,0,0]=3 281 B7R1.1 OCC1CCNC1 MC115660 [1,0,0,1,0,0|1,0,0]=3 282 B7R1.1 OCC1CCOC1 MC113000 [1,0,0,1,0,0|1,0,0]=3 283 B7R1.1 OCC1CCOC1 MC113001 [1,0,0,1,0,0|1,0,0]=3 284 B7R1.1 OCC1CCOC1 MC427704 [1,0,0,1,0,0|1,0,0]=3 285 B7R1.3 BrC1CCCCC1 CS11079 [1,0,0,1,0,0|1,0,0]=3 286 B7R1.3 BrC1CCNCC1 CS18356 [1,0,0,1,0,0|2,0,0]=4 287 B7R1.3 BrC1CCOCC1 CS18193 [1,0,0,1,0,0|2,0,0]=4 288 B7R1.3 CC1CCCCN1 MC20418 [1,0,0,1,0,0|1,0,0]=3 289 B7R1.3 CC1CCCNC1 CS16133 [1,0,0,1,0,0|1,0,0]=3 290 B7R1.3 CC1CCCNC1 MC425227 [1,0,0,1,0,0|1,0,0]=3 291 B7R1.3 CC1CNCCN1 CS13503 [1,0,0,1,0,0|2,0,0]=4 292 B7R1.3 CC1CNCCN1 CS17164 [1,0,0,1,0,0|2,0,0]=4 293 B7R1.3 CC1CNCCN1 CS17167 [1,0,0,1,0,0|2,0,0]=4 294 B7R1.3 CC1CNCCO1 CS14515 [1,0,0,1,0,0|1,0,0]=3 295 B7R1.3 CC1CNCCO1 CS14521 [1,0,0,1,0,0|1,0,0]=3 296 B7R1.3 CC1CNCCO1 CS19299 [1,0,0,1,0,0|1,0,0]=3 297 B7R1.3 CC1CNCCO1 CS21692 [1,0,0,1,0,0|1,0,0]=3 298 B7R1.3 CC1CNCCO1 MC444038 [1,0,0,1,0,0|1,0,0]=3 299 B7R1.3 CC1CNCCO1 MC444192 [1,0,0,1,0,0|1,0,0]=3 300 B7R1.3 CC1COCCN1 CS14856 [1,0,0,1,0,0|2,0,0]=4 301 B7R1.3 CC1COCCN1 CS20285 [1,0,0,1,0,0|2,0,0]=4 302 B7R1.3 CC1COCCN1 CS22371 [1,0,0,1,0,0|2,0,0]=4 303 B7R1.3 CC1COCCN1 CS22413 [1,0,0,1,0,0|2,0,0]=4 304 B7R1.3 CC1COCCN1 MC20820 [1,0,0,1,0,0|2,0,0]=4 305 B7R1.3 CN1CCNCC1 MC20458 [1,0,0,1,0,0|2,0,0]=4 306 B7R1.3 ClC1CCNCC1 CS16938 [1,0,0,1,0,0|2,0,0]=4 307 B7R1.3 FC1CCCNC1 MC101908 [1,0,0,1,0,0|2,0,0]=4 308 B7R1.3 FC1CCCNC1 MC101918 [1,0,0,1,0,0|2,0,0]=4 309 B7R1.3 FC1CCCNC1 MC444270 [1,0,0,1,0,0|2,0,0]=4 310 B7R1.3 FC1CCNCC1 CS22845 [1,0,0,1,0,0|2,0,0]=4 311 B7R1.3 IC1CCOCC1 CS18194 [1,0,0,1,0,0|2,0,0]=4 312 B7R1.3 NC1CCCNC1 CS17178 [1,0,0,1,0,0|2,0,0]=4 313 B7R1.3 NC1CCCNC1 CS17182 [1,0,0,1,0,0|2,0,0]=4 314 B7R1.3 NC1CCCNC1 CS22655 [1,0,0,1,0,0|2,0,0]=4 315 B7R1.3 NC1CCOCC1 CS16997 [1,0,0,1,0,0|2,0,0]=4 316 B7R1.3 NC1CCOCC1 CS18985 [1,0,0,1,0,0|2,0,0]=4 317 B7R1.3 O=C1CCCCO1 CS11208 [1,0,0,1,0,0|1,0,1]=4 318 B7R1.3 OC1CCCNC1 CS17016 [1,0,0,1,0,0|1,0,0]=3 319 B7R1.3 OC1CCCNC1 CS17020 [1,0,0,1,0,0|1,0,0]=3 320 B7R1.3 OC1CCCNC1 CS22642 [1,0,0,1,0,0|1,0,0]=3 321 B7R1.3 OC1CCCOC1 CS17782 [1,0,0,1,0,0|1,0,0]=3 322 B7R1.3 OC1CCNCC1 CS14900 [1,0,0,1,0,0|1,0,0]=3 323 B7R1.3 OC1CCNCC1 CS22643 [1,0,0,1,0,0|1,0,0]=3 324 B7R1.3 OC1CCOCC1 CS13929 [1,0,0,1,0,0|1,0,0]=3 325 B7R1.3 OC1CCSCC1 CS12012 [1,0,0,1,0,0|1,0,0]=3 326 B7R1.3 SC1CCCNC1 MC105166 [1,0,0,1,0,0|1,1,0]=4 327 B7R1.3 SC1CCOCC1 MC107026 [1,0,0,1,0,0|1,1,0]=4 328 B7R1.4 CC1COCC1N MC444024 [1,0,0,1,0,0|2,0,0]=4 329 B7R1.4 NC1CCCC1O CS11147 [1,0,0,1,0,0|1,0,0]=3 330 B7R1.4 NC1CCCC1O CS15594 [1,0,0,1,0,0|1,0,0]=3 331 B7R1.4 NC1CCCC1O CS18884 [1,0,0,1,0,0|1,0,0]=3 332 B7R1.4 NC1CCCC1O CS19404 [1,0,0,1,0,0|1,0,0]=3 333 B7R1.4 NC1COCC1O MC105386 [1,0,0,1,0,0|2,0,0]=4 334 B7R1.4 NC1COCC1O MC105387 [1,0,0,1,0,0|2,0,0]=4 335 B7R1.4 NC1COCC1O MC431325 [1,0,0,1,0,0|2,0,0]=4 336 B7R1.4 OC1CNCC1O CS20186 [1,0,0,1,0,0|2,0,0]=4 337 B7R1.4 OC1CNCC1O MC103857 [1,0,0,1,0,0|2,0,0]=4 338 B7R1.6 COCC1CCN1 MC103809 [1,0,0,1,0,0|2,0,0]=4 339 B7R1.6 COCC1CCN1 MC103810 [1,0,0,1,0,0|2,0,0]=4 340 B7R1.6 COCC1CNC1 MC444220 [1,0,0,1,0,0|2,0,0]=4 341 B7R1.6 ClCCN1CCC1 MC103600 [1,0,0,1,0,0|2,0,0]=4 342 B7R1.6 NNCC1CCC1 MC106836 [1,0,0,1,0,0|2,0,0]=4 343 B7R1.6 OCCN1CCC1 MC106862 [1,0,0,1,0,0|1,0,0]=3 344 B7R1.7 C=CCCC1CO1 MC42008 [1,0,0,1,0,0|0,0,2]=4 345 B7R1.8 CN1CCC1CN MC104666 [1,0,0,1,0,0|2,0,0]=4 346 B7R1.8 CN1CCC1CN MC104667 [1,0,0,1,0,0|2,0,0]=4 347 B7R1.8 CN1CCC1CN MC105491 [1,0,0,1,0,0|2,0,0]=4 348 B7R1.8 O=C1CCC1CO MC104211 [1,0,0,1,0,0|1,0,1]=4 349 B7R1.8 O=C1CCC1CO MC104212 [1,0,0,1,0,0|1,0,1]=4 350 B7R1.8 O=C1CCC1CO MC104213 [1,0,0,1,0,0|1,0,1]=4 351 B7R1.24 C1CNCCNC1 MC31155 [1,0,0,1,0,0|2,0,0]=4 352 B7R1.24 C1CNCCOC1 CS17007 [1,0,0,1,0,0|1,0,0]=3 353 B9R1.2 CC1CCCC(CO)N1 MC104326 [0,1,0,1,0,0|0,0,0]=2 354 B9R1.2 CN1CCCC(CN)C1 CS18007 [0,1,0,1,0,0|2,0,0]=4 355 B9R1.2 CN1CCCC(CN)C1 MC103935 [0,1,0,1,0,0|2,0,0]=4 356 B9R1.2 CN1CCCC(CO)C1 MC425692 [0,1,0,1,0,0|1,0,0]=3 357 B9R1.2 CN1CCNC(CO)C1 MC431434 [0,1,0,1,0,0|2,0,0]=4 358 B9R1.2 CN1CCOC(CN)C1 CS21704 [0,1,0,1,0,0|2,0,0]=4 359 B9R1.2 O=C1CC(CO)CCN1 MC444199 [0,1,0,1,0,0|1,0,1]=4 360 B9R1.7 CN1CCC(CCO)C1 MC102377 [0,1,0,1,0,0|1,0,0]=3 361 B9R1.8 BrCCN1CCCCC1 CS16757 [0,1,0,1,0,0|1,0,0]=3 362 B9R1.8 BrCCN1CCOCC1 CS16378 [0,1,0,1,0,0|2,0,0]=4 363 B9R1.8 BrCCN1CCOCC1 CS20883 [0,1,0,1,0,0|2,0,0]=4 364 B9R1.8 Br[Zn]CC1CCCCC1 MC121338 [0,1,0,1,0,0|1,0,0]=3 365 B9R1.8 C#CCN1CCCCC1 CS15416 [0,1,0,1,0,0|1,0,1]=4 366 B9R1.8 CCNC1CCCCC1 CS11778 [0,1,0,1,0,0|1,0,0]=3 367 B9R1.8 CCOC1CCCNC1 CS13869 [0,1,0,1,0,0|2,0,0]=4 368 B9R1.8 CNCC1CCCOC1 MC104397 [0,1,0,1,0,0|1,0,0]=3 369 B9R1.8 COCC1CNCCO1 MC105771 [0,1,0,1,0,0|1,0,0]=3 370 B9R1.8 COCC1CNCCO1 MC444037 [0,1,0,1,0,0|1,0,0]=3 371 B9R1.8 COCC1CNCCO1 MC444190 [0,1,0,1,0,0|1,0,0]=3 372 B9R1.8 ClCCN1CCCCC1 CS19629 [0,1,0,1,0,0|1,0,0]=3 373 B9R1.8 ClCCN1CCOCC1 CS19905 [0,1,0,1,0,0|2,0,0]=4 374 B9R1.8 FCCN1CCNCC1 CS17106 [0,1,0,1,0,0|2,0,0]=4 375 B9R1.8 FCCN1CCNCC1 MC111122 [0,1,0,1,0,0|2,0,0]=4 376 B9R1.8 N#CCC1CCCNC1 MC113061 [0,1,0,1,0,0|1,0,1]=4 377 B9R1.8 N#CCC1CCNCC1 MC121092 [0,1,0,1,0,0|1,0,1]=4 378 B9R1.8 N#CCC1CCNCC1 MC425238 [0,1,0,1,0,0|1,0,1]=4 379 B9R1.8 NCCC1CCCCC1 CS18358 [0,1,0,1,0,0|1,0,0]=3 380 B9R1.8 NCCC1CCOCC1 MC20509 [0,1,0,1,0,0|1,0,0]=3 381 B9R1.8 NCCN1CCCCC1 CS16099 [0,1,0,1,0,0|1,0,0]=3 382 B9R1.8 NCCN1CCNCC1 CS11705 [0,1,0,1,0,0|2,0,0]=4 383 B9R1.8 OCCC1CCCCN1 CS13732 [0,1,0,1,0,0|0,0,0]=2 384 B9R1.8 OCCC1CCCCN1 CS17564 [0,1,0,1,0,0|0,0,0]=2 385 B9R1.8 OCCC1CCCCN1 MC445188 [0,1,0,1,0,0|0,0,0]=2 386 B9R1.8 OCCC1CNCCN1 CS16449 [0,1,0,1,0,0|1,0,0]=3 387 B9R1.8 OCCC1CNCCN1 CS16450 [0,1,0,1,0,0|1,0,0]=3 388 B9R1.8 OCCC1CNCCN1 MC113929 [0,1,0,1,0,0|1,0,0]=3 389 B9R1.8 OCCC1CNCCO1 MC107498 [0,1,0,1,0,0|1,0,0]=3 390 B9R1.8 OCCN1CCNCC1 CS13442 [0,1,0,1,0,0|1,0,0]=3 391 B9R1.8 OCCN1CCOCC1 CS11708 [0,1,0,1,0,0|1,0,0]=3 392 B9R1.8 OCCN1CCSCC1 CS18622 [0,1,0,1,0,0|1,0,0]=3 393 B9R1.12 Br[Mg]CCC1OCCO1 MC116051 [0,1,0,1,0,0|2,0,0]=4 394 B9R1.12 NCCCN1CCCC1 CS20406 [0,1,0,1,0,0|1,0,0]=3 395 B9R1.15 CC1NCCCC1C#N MC115576 [0,1,0,1,0,0|1,0,1]=4 396 B9R1.15 CCC1CNCCC1=O CS17950 [0,1,0,1,0,0|0,0,2]=4 397 B9R1.15 CN1CCCCC1CO CS16091 [0,1,0,1,0,0|0,0,0]=2 398 B9R1.15 CN1CCCCC1CO CS16092 [0,1,0,1,0,0|0,0,0]=2 399 B9R1.15 CN1CCCCC1CO CS18858 [0,1,0,1,0,0|0,0,0]=2 400 B9R1.15 CN1CCOCC1CN CS14994 [0,1,0,1,0,0|2,0,0]=4 401 B9R1.15 COC1COCCC1N MC101953 [0,1,0,1,0,0|2,0,0]=4 402 B9R1.15 COC1COCCC1N MC101954 [0,1,0,1,0,0|2,0,0]=4 403 B9R1.15 COC1COCCC1N MC444021 [0,1,0,1,0,0|2,0,0]=4 404 B9R1.15 COC1COCCC1N MC444022 [0,1,0,1,0,0|2,0,0]=4 405 B9R1.15 NCC1CCNCC1O MC105550 [0,1,0,1,0,0|1,0,0]=3 406 B9R1.15 NCC1CCNCC1O MC105642 [0,1,0,1,0,0|1,0,0]=3 407 B9R1.15 OCC1CCNCC1F MC121266 [0,1,0,1,0,0|1,0,0]=3 408 B9R1.33 CN1CCCC1CCN CS17253 [0,1,0,1,0,0|1,0,0]=3 409 B9R1.33 CN1CCCC1CCN CS17948 [0,1,0,1,0,0|1,0,0]=3 410 B9R1.33 CN1CCCC1CCN MC105423 [0,1,0,1,0,0|1,0,0]=3 411 B9R1.33 COCC1CCCC1=O MC106167 [0,1,0,1,0,0|0,0,2]=4 412 B9R1.49 CN1CCCC(N)CC1 MC444311 [0,1,0,1,0,0|2,0,0]=4 413 B9R1.49 CN1CCCC(O)CC1 CS13879 [0,1,0,1,0,0|1,0,0]=3 414 B9R1.50 O=C1CCCCCCN1 CS21316 [0,1,0,1,0,0|0,0,2]=4 415 B9R1.69 CC1CC(N)CCN1C MC104351 [0,1,0,1,0,0|2,0,0]=4 416 B9R1.14 CCN1CCCC1CN CS10140 [0,1,0,1,0,0|1,0,0]=3 417 B9R1.14 CNC1CNCC1OC MC103791 [0,1,0,1,0,0|2,0,0]=4 418 B9R1.17 OCCCOC1COC1 MC112091 [0,1,0,1,0,0|1,0,0]=3 419 B9R1.89 COC1CCCNCC1 MC101899 [0,1,0,1,0,0|1,0,0]=3 420 B9R1.89 N#CC1CCCNCC1 MC425892 [0,1,0,1,0,0|1,0,1]=4 421 B9R1.89 OCC1CCCCNC1 MC105285 [0,1,0,1,0,0|0,0,0]=2 422 B9R1.103 C1CNCCNCCN1 MC20930 [0,1,0,1,0,0|2,0,0]=4 423 B9R1.1 CN1CCC(CN)CC1 CS21766 [0,1,0,1,0,0|2,0,0]=4 424 B9R1.1 CN1CCC(CO)CC1 CS19632 [0,1,0,1,0,0|1,0,0]=3 425 B9R1.1 CNC1CCC(O)CC1 MC103812 [0,1,0,1,0,0|2,0,0]=4 426 B9R1.1 COC1CCC(N)CC1 CS13257 [0,1,0,1,0,0|2,0,0]=4 427 B9R1.1 COC1CCC(N)CC1 MC429972 [0,1,0,1,0,0|2,0,0]=4 428 B9R1.1 COC1CCC(O)CC1 CS15906 [0,1,0,1,0,0|2,0,0]=4 429 B9R1.1 N#CC1CCC(O)CC1 CS14344 [0,1,0,1,0,0|1,0,1]=4 430 B9R1.1 NC1CCC(CO)CC1 MC425647 [0,1,0,1,0,0|0,0,0]=2 431 B9R1.1 NCC1CCC(O)CC1 MC102788 [0,1,0,1,0,0|1,0,0]=3 432 B9R1.1 NCC1CCC(O)CC1 MC103405 [0,1,0,1,0,0|1,0,0]=3 433 B9R1.1 NCC1CCC(O)CC1 MC104233 [0,1,0,1,0,0|1,0,0]=3 434 B9R1.3 CC1CCNC(C)C1Br MC427293 [0,1,0,1,0,0|2,0,0]=4 435 B9R1.21 OCC1CCC(CO)N1 MC425139 [0,1,0,1,0,0|1,0,0]=3 436 B9R1.21 OCC1CCC(CO)O1 CS11151 [0,1,0,1,0,0|1,0,0]=3 437 B9R1.118 C#CC1(C)CCCCC1 MC114544 [0,1,0,1,0,0|1,0,1]=4 438 B9R1.118 CC1(CN)CCOCC1 MC104731 [0,1,0,1,0,0|2,0,0]=4 439 B9R1.118 CC1(CO)CCCNC1 MC444219 [0,1,0,1,0,0|1,0,0]=3 440 B9R1.118 CC1(CO)CCNCC1 CS12640 [0,1,0,1,0,0|1,0,0]=3 441 B9R1.118 CCC1(O)CCCCC1 MC111123 [0,1,0,1,0,0|1,0,0]=3 442 B9R1.118 CCC1(O)CCNCC1 MC444349 [0,1,0,1,0,0|2,0,0]=4 443 B9R1.118 NC1(CO)CCOCC1 MC444316 [0,1,0,1,0,0|1,0,0]=3 444 B9R1.118 NC1(CO)CCOCC1 MC444317 [0,1,0,1,0,0|1,0,0]=3 445 B9R1.118 NCC1(F)CCOCC1 MC114975 [0,1,0,1,0,0|2,0,0]=4 446 B9R1.118 NCC1(O)CCOCC1 CS15150 [0,1,0,1,0,0|2,0,0]=4 447 B9R1.118 NCC1(O)CCOCC1 MC31193 [0,1,0,1,0,0|2,0,0]=4 448 B9R1.118 OC1(CBr)CCCCC1 MC107759 [0,1,0,1,0,0|1,0,0]=3 449 B9R1.118 OCC1(O)CCNCC1 MC429078 [0,1,0,1,0,0|1,0,0]=3 450 B9R1.118 OCC1(O)CCNCC1 MC444352 [0,1,0,1,0,0|1,0,0]=3 451 B9R1.132 CN1C(=O)CCC1CO MC102373 [0,1,0,1,0,0|1,0,1]=4 452 B9R1.6 CC(C)C1CNCCO1 CS16451 [0,1,0,1,0,0|1,0,0]=3 453 B9R1.6 CC(C)C1CNCCO1 MC444036 [0,1,0,1,0,0|1,0,0]=3 454 B9R1.6 CC(C)C1CNCCO1 MC444059 [0,1,0,1,0,0|1,0,0]=3 455 B9R1.6 CC(C)C1COCCN1 MC20926 [0,1,0,1,0,0|2,0,0]=4 456 B9R1.6 CC(C)C1COCCN1 MC444041 [0,1,0,1,0,0|2,0,0]=4 457 B9R1.6 CC(C)C1COCCN1 MC444063 [0,1,0,1,0,0|2,0,0]=4 458 B9R1.6 CC(C)C1COCCN1 MC444288 [0,1,0,1,0,0|2,0,0]=4 459 B9R1.6 FC(F)C1CCNCC1 MC442355 [0,1,0,1,0,0|2,0,0]=4 460 B9R1.6 O=C(O)C1CCCCC1 CS16426 [0,1,0,1,0,0|0,0,1]=3 461 B9R1.6 O=C(O)C1CCCCN1 CS13937 [0,1,0,1,0,0|1,0,1]=4 462 B9R1.6 O=C(O)C1CCCCN1 CS18416 [0,1,0,1,0,0|1,0,1]=4 463 B9R1.6 O=C(O)C1CCCCN1 CS18418 [0,1,0,1,0,0|1,0,1]=4 464 B9R1.6 O=C(O)C1CCCCN1 CS18433 [0,1,0,1,0,0|1,0,1]=4 465 B9R1.6 O=C(O)C1CCCNC1 CS12538 [0,1,0,1,0,0|1,0,1]=4 466 B9R1.6 O=C(O)C1CCCNC1 CS22802 [0,1,0,1,0,0|1,0,1]=4 467 B9R1.6 O=C(O)C1CCCNC1 CS22806 [0,1,0,1,0,0|1,0,1]=4 468 B9R1.6 O=C(O)C1CCCOC1 CS18526 [0,1,0,1,0,0|1,0,1]=4 469 B9R1.6 O=C(O)C1CCCSC1 MC113062 [0,1,0,1,0,0|1,0,1]=4 470 B9R1.6 O=C(O)C1CCNCC1 CS15208 [0,1,0,1,0,0|1,0,1]=4 471 B9R1.6 O=C(O)C1CCNCC1 CS22807 [0,1,0,1,0,0|1,0,1]=4 472 B9R1.6 O=C(O)C1CCOCC1 CS18392 [0,1,0,1,0,0|1,0,1]=4 473 B9R1.6 OB(O)C1CCCCC1 CS18573 [0,1,0,1,0,0|1,0,0]=3 474 B9R1.13 CN(C)CC1CCCN1 MC100101 [0,1,0,1,0,0|2,0,0]=4 475 B9R1.13 CN(C)CC1CCCN1 MC105476 [0,1,0,1,0,0|2,0,0]=4 476 B9R1.13 O=C(O)CC1CCCC1 MC112805 [0,1,0,1,0,0|0,0,1]=3 477 B9R1.13 O=C(O)CC1CCCN1 MC106679 [0,1,0,1,0,0|1,0,1]=4 478 B9R1.13 O=C(O)CC1CCNC1 MC104574 [0,1,0,1,0,0|1,0,1]=4 479 B9R1.13 O=C(O)CC1CCNC1 MC105475 [0,1,0,1,0,0|1,0,1]=4 480 B9R1.13 O=C(O)CC1CCOC1 CS20367 [0,1,0,1,0,0|1,0,1]=4 481 B9R1.40 CC1(C)CNCCC1O CS12106 [0,1,0,1,0,0|1,0,0]=3 482 B9R1.40 CC1CCNCC1(F)F MC104894 [0,1,0,1,0,0|2,0,0]=4 483 B9R1.40 CC1CNCCC1(F)F MC445665 [0,1,0,1,0,0|2,0,0]=4 484 B9R1.40 NC1CCCCC1(F)F CS15870 [0,1,0,1,0,0|2,0,0]=4 485 B9R1.40 NC1CCCCC1(F)F MC107605 [0,1,0,1,0,0|2,0,0]=4 486 B9R1.40 OC1CCNCC1(F)F MC102117 [0,1,0,1,0,0|2,0,0]=4 487 B9R1.40 OC1CCNCC1(F)F MC103654 [0,1,0,1,0,0|2,0,0]=4 488 B9R1.40 OC1CNCCC1(F)F MC105375 [0,1,0,1,0,0|2,0,0]=4 489 B9R1.41 CN1CCCC1C(=O)O CS11794 [0,1,0,1,0,0|1,0,1]=4 490 B9R1.41 CN1CCCC1C(=O)O MC437939 [0,1,0,1,0,0|1,0,1]=4 491 B9R1.84 O=C(O)COC1CCC1 MC33255 [0,1,0,1,0,0|1,0,1]=4 492 B9R1.148 FC1(F)CCCNCC1 MC101898 [0,1,0,1,0,0|2,0,0]=4 493 B9R2.49 C1CC2CCC1CN2 MC425241 [0,0,0,2,0,0|1,0,0]=3 494 B9R2.49 C1CC2CNC1CO2 MC103904 [0,0,0,2,0,0|1,0,0]=3 495 B9R2.49 C1CC2CNC1CO2 MC444195 [0,0,0,2,0,0|1,0,0]=3 496 B9R2.49 C1CN2CCC1CC2 MC440084 [0,0,0,2,0,0|2,0,0]=4 497 B9R2.50 C1CNC2CNC2C1 MC105483 [0,0,0,2,0,0|2,0,0]=4 498 B9R2.53 OC1C2CNCC1C2 MC102420 [0,0,0,2,0,0|1,0,0]=3 499 B9R2.53 OC1C2CNCC1C2 MC104428 [0,0,0,2,0,0|1,0,0]=3 500 B9R2.56 OCC12CNCC1C2 MC102107 [0,0,0,2,0,0|1,0,0]=3 501 B9R2.56 OCC12CNCC1C2 MC104737 [0,0,0,2,0,0|1,0,0]=3 502 B9R2.65 OCC1C2CNCC12 MC104303 [0,0,0,2,0,0|1,0,0]=3 503 B9R2.65 OCC1C2CNCC12 MC444495 [0,0,0,2,0,0|1,0,0]=3 504 B9R2.68 C1CC2CCC(C1)N2 MC444465 [0,0,0,2,0,0|1,0,0]=3 505 B9R2.68 C1CC2CNCC1N2 CS15955 [0,0,0,2,0,0|2,0,0]=4 506 B9R2.68 C1CC2CNCC1O2 CS10860 [0,0,0,2,0,0|1,0,0]=3 507 B9R2.68 C1CC2COCC1N2 CS14923 [0,0,0,2,0,0|2,0,0]=4 508 B9R2.68 C1CC2COCC1N2 MC102946 [0,0,0,2,0,0|2,0,0]=4 509 B9R2.68 C1CC2COCC1N2 MC105474 [0,0,0,2,0,0|2,0,0]=4 510 B9R2.68 C1CN2CCC(C2)N1 MC103662 [0,0,0,2,0,0|2,0,0]=4 511 B9R2.68 C1CN2CCC(C2)N1 MC105589 [0,0,0,2,0,0|2,0,0]=4 512 B9R2.70 OCC1NCC2CC21 MC115689 [0,0,0,2,0,0|1,0,0]=3 513 B9R2.174 C1CC2(CCN1)CC2 CS16182 [0,0,0,2,0,0|2,0,0]=4 514 B9R2.174 C1CC2(CCN1)CC2 MC102060 [0,0,0,2,0,0|2,0,0]=4 515 B9R2.174 C1CCC2(CC2)NC1 MC121178 [0,0,0,2,0,0|1,0,0]=3 516 B9R2.174 C1CNC2(CC2)CN1 CS14777 [0,0,0,2,0,0|2,0,0]=4 517 B9R2.174 C1CNC2(CC2)CN1 MC104518 [0,0,0,2,0,0|2,0,0]=4 518 B9R2.174 C1CNC2(CC2)CN1 MC444304 [0,0,0,2,0,0|2,0,0]=4 519 B9R2.6 CC12CCNCC1C2 MC105242 [0,0,0,2,0,0|2,0,0]=4 520 B9R2.39 CN1CC2CC1CN2 MC105470 [0,0,0,2,0,0|2,0,0]=4 521 B9R2.39 CN1CC2CC1CN2 MC105471 [0,0,0,2,0,0|2,0,0]=4 522 B9R2.39 CN1CC2CC1CN2 MC444003 [0,0,0,2,0,0|2,0,0]=4 523 B9R2.39 CN1CC2CC1CN2 MC444008 [0,0,0,2,0,0|2,0,0]=4 524 B9R2.39 OC1CC2CC1CN2 MC104240 [0,0,0,2,0,0|1,0,0]=3 525 B9R2.39 OC1CC2CCC1N2 MC105311 [0,0,0,2,0,0|1,0,0]=3 526 B9R2.39 OC1CC2CCC1N2 MC105312 [0,0,0,2,0,0|1,0,0]=3 527 B9R2.39 OC1CC2CNC1C2 MC104241 [0,0,0,2,0,0|1,0,0]=3 528 B9R2.39 OC1CC2CNC1C2 MC104242 [0,0,0,2,0,0|1,0,0]=3 529 B9R2.109 O=C1CCCC2CC12 MC102253 [0,0,0,2,0,0|0,0,2]=4 530 B9R2.3 C1CC2CNCC2C1 CS11156 [0,0,0,2,0,0|1,0,0]=3 531 B9R2.3 C1CC2CNCC2C1 CS19616 [0,0,0,2,0,0|1,0,0]=3 532 B9R2.3 C1CC2CNCC2C1 MC104639 [0,0,0,2,0,0|1,0,0]=3 533 B9R2.3 C1CC2CNCC2O1 MC105099 [0,0,0,2,0,0|1,0,0]=3 534 B9R2.3 C1NCC2CNCC12 CS14816 [0,0,0,2,0,0|2,0,0]=4 535 B9R2.3 C1NCC2COCC12 MC103726 [0,0,0,2,0,0|1,0,0]=3 536 B9R2.173 C1CC2(C1)CCNC2 MC102194 [0,0,0,2,0,0|2,0,0]=4 537 B9R2.173 C1CC2(CCO2)CN1 MC102909 [0,0,0,2,0,0|1,0,0]=3 538 B9R2.173 C1CC2(CCO2)CN1 MC103911 [0,0,0,2,0,0|1,0,0]=3 539 B9R2.173 C1CC2(CCO2)CN1 MC444133 [0,0,0,2,0,0|1,0,0]=3 540 B9R2.173 C1CC2(CCOC2)N1 MC115741 [0,0,0,2,0,0|2,0,0]=4 541 B9R2.173 C1CCC2(C1)CCN2 MC104800 [0,0,0,2,0,0|1,0,0]=3 542 B9R2.173 C1CCC2(C1)CNC2 MC103514 [0,0,0,2,0,0|2,0,0]=4 543 B9R2.173 C1CCC2(C1)CNC2 MC105257 [0,0,0,2,0,0|2,0,0]=4 544 B9R2.173 C1CNC2(C1)CCC2 MC102196 [0,0,0,2,0,0|1,0,0]=3 545 B9R2.173 C1CNC2(C1)CCC2 MC105663 [0,0,0,2,0,0|1,0,0]=3 546 B9R2.173 C1CNC2(C1)COC2 MC102197 [0,0,0,2,0,0|2,0,0]=4 547 B9R2.173 C1CNC2(C1)COC2 MC102912 [0,0,0,2,0,0|2,0,0]=4 548 B9R2.173 C1COC2(C1)CNC2 MC102068 [0,0,0,2,0,0|1,0,0]=3 549 B9R2.5 NC1CNCC12CC2 MC105473 [0,0,0,2,0,0|2,0,0]=4 550 B9R2.28 OCCC1CC12CC2 MC102557 [0,0,0,2,0,0|0,0,0]=2