0 B7R0.1 BrCCCCCCBr CS20550 [0,0,0,0,0,0|2,0,1]=3 1 B7R0.1 C#CCCCCCO CS10705 [0,0,0,0,0,0|1,0,2]=3 2 B7R0.1 C=CCCCCCBr CS19607 [0,0,0,0,0,0|1,0,0]=1 3 B7R0.1 COCCOCCN MC431493 [0,0,0,0,0,0|3,0,1]=4 4 B7R0.1 COCOCCC=O MC445436 [0,0,0,0,0,0|3,0,0]=3 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|3,0,1]=4 7 B7R0.1 OCCCCCCBr CS14335 [0,0,0,0,0,0|2,0,1]=3 8 B7R0.1 [N-]=[N+]=NCCCC=O MC121280 [0,0,0,0,0,0|4,0,0]=4 9 B6R0.6 BrCCCCCBr MC41886 [1,0,0,0,0,0|2,0,0]=3 10 B6R0.6 BrCCNCCBr CS11032 [1,0,0,0,0,0|3,0,0]=4 11 B6R0.6 C#CCCCCO MC424004 [1,0,0,0,0,0|1,0,2]=4 12 B6R0.6 C=CCCCCCl MC427568 [1,0,0,0,0,0|1,0,0]=2 13 B6R0.6 C=CCCCCN MC111853 [1,0,0,0,0,0|1,0,0]=2 14 B6R0.6 C=CCCCCO CS10397 [1,0,0,0,0,0|1,0,0]=2 15 B6R0.6 C=CCCC[Zn]Br MC121349 [1,0,0,0,0,0|2,0,0]=3 16 B6R0.6 C=COCCCN MC41859 [1,0,0,0,0,0|2,0,0]=3 17 B6R0.6 C=COCCON MC106384 [1,0,0,0,0,0|3,0,0]=4 18 B6R0.6 CCCOCCCl MC428009 [1,0,0,0,0,0|2,0,0]=3 19 B6R0.6 COCCCC=O MC111975 [1,0,0,0,0,0|2,0,0]=3 20 B6R0.6 COCCCCBr CS22933 [1,0,0,0,0,0|2,0,0]=3 21 B6R0.6 COCCCCCl MC428014 [1,0,0,0,0,0|2,0,0]=3 22 B6R0.6 ClCCNCCCl CS16038 [1,0,0,0,0,0|3,0,0]=4 23 B6R0.6 ClCCOCCCl MC41873 [1,0,0,0,0,0|3,0,0]=4 24 B6R0.6 FCCCCCBr CS14708 [1,0,0,0,0,0|2,0,0]=3 25 B6R0.6 FCCCC[Mg]Br MC116032 [1,0,0,0,0,0|3,0,0]=4 26 B6R0.6 N#CCCCCCl CS10359 [1,0,0,0,0,0|2,0,1]=4 27 B6R0.6 NCCCCCN CS19074 [1,0,0,0,0,0|2,0,0]=3 28 B6R0.6 OCCCCCCl CS14778 [1,0,0,0,0,0|2,0,0]=3 29 B6R0.6 OCCCCCO CS20549 [1,0,0,0,0,0|2,0,0]=3 30 B6R0.6 OCCOCCO MC41893 [1,0,0,0,0,0|3,0,0]=4 31 B6R0.6 SCCOCCS MC112783 [1,0,0,0,0,0|3,0,0]=4 32 B8R0.1 CCCC(C)CCCO MC112367 [0,1,0,0,0,0|1,0,1]=3 33 B8R0.4 C#CCCCCCCO CS10833 [0,1,0,0,0,0|0,0,2]=3 34 B8R0.4 CCCCCOCCO MC437002 [0,1,0,0,0,0|1,0,1]=3 35 B8R0.4 CCCCNCCCC CS11229 [0,1,0,0,0,0|0,0,2]=3 36 B8R0.4 COCCOCCOC MC41925 [0,1,0,0,0,0|2,0,1]=4 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|1,0,1]=3 39 B8R0.4 OCCCNCCCO CS21826 [0,1,0,0,0,0|2,0,1]=4 40 B8R0.6 C=CCOCC(O)CO MC436170 [0,1,0,0,0,0|2,0,0]=3 41 B8R0.6 CCCCCC(O)CCl MC114490 [0,1,0,0,0,0|1,0,1]=3 42 B8R0.6 OCCCCC(O)CO MC41917 [0,1,0,0,0,0|2,0,1]=4 43 B8R0.7 CCCCCCB(O)O MC31067 [0,1,0,0,0,0|2,0,0]=3 44 B8R0.7 CCNCCCN(C)C MC103675 [0,1,0,0,0,0|2,0,1]=4 45 B8R0.7 COCCOCC(=O)O MC10458 [0,1,0,0,0,0|3,0,0]=4 46 B8R0.7 CSCCCCC(=O)O MC112374 [0,1,0,0,0,0|2,0,0]=3 47 B8R0.7 N=C(N)NCCCCN MC436135 [0,1,0,0,0,0|3,0,0]=4 48 B8R0.7 NCCCCCC(=O)O CS13381 [0,1,0,0,0,0|2,0,0]=3 49 B8R0.7 O=C(O)CCCCCBr CS18405 [0,1,0,0,0,0|2,0,0]=3 50 B8R1.2 BrCC1=CCCCC1 MC103521 [0,0,0,1,0,0|1,0,2]=4 51 B8R1.2 BrCC1CCCCC1 CS19887 [0,0,0,1,0,0|1,0,1]=3 52 B8R1.2 BrCC1CCCOC1 MC102393 [0,0,0,1,0,0|2,0,1]=4 53 B8R1.2 Br[Zn]C1C=CCCC1 MC116069 [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|1,0,2]=4 57 B8R1.2 C#CC1CCSCC1 MC104148 [0,0,0,1,0,0|1,0,2]=4 58 B8R1.2 C=CC1CC=CCC1 MC115110 [0,0,0,1,0,0|0,0,2]=3 59 B8R1.2 CCC1CNCCN1 MC31046 [0,0,0,1,0,0|2,0,1]=4 60 B8R1.2 CCC1CNCCN1 MC31080 [0,0,0,1,0,0|2,0,1]=4 61 B8R1.2 CCC1CNCCO1 MC444035 [0,0,0,1,0,0|2,0,1]=4 62 B8R1.2 CCC1CNCCO1 MC444058 [0,0,0,1,0,0|2,0,1]=4 63 B8R1.2 CCC1CNCCO1 MC444187 [0,0,0,1,0,0|2,0,1]=4 64 B8R1.2 CCC1COCCN1 MC20812 [0,0,0,1,0,0|2,0,1]=4 65 B8R1.2 CCC1COCCN1 MC444040 [0,0,0,1,0,0|2,0,1]=4 66 B8R1.2 CCC1COCCN1 MC444061 [0,0,0,1,0,0|2,0,1]=4 67 B8R1.2 CCC1COCCN1 MC444269 [0,0,0,1,0,0|2,0,1]=4 68 B8R1.2 CNC1CCCNC1 CS22823 [0,0,0,1,0,0|2,0,1]=4 69 B8R1.2 CNC1CCOCC1 CS15192 [0,0,0,1,0,0|2,0,1]=4 70 B8R1.2 COC1CCCNC1 MC31194 [0,0,0,1,0,0|2,0,1]=4 71 B8R1.2 COC1CCCNC1 MC444290 [0,0,0,1,0,0|2,0,1]=4 72 B8R1.2 COC1CCNCC1 MC444354 [0,0,0,1,0,0|2,0,1]=4 73 B8R1.2 CSC1CCNCC1 MC444359 [0,0,0,1,0,0|2,0,1]=4 74 B8R1.2 Cl[Mg]C1CCOCC1 MC121322 [0,0,0,1,0,0|3,0,0]=4 75 B8R1.2 ICC1CCOCC1 MC31010 [0,0,0,1,0,0|2,0,1]=4 76 B8R1.2 N#CC1CCCCN1 MC105353 [0,0,0,1,0,0|2,0,1]=4 77 B8R1.2 N#CC1CCCCN1 MC444185 [0,0,0,1,0,0|2,0,1]=4 78 B8R1.2 N#CC1CCCNC1 MC105598 [0,0,0,1,0,0|2,0,1]=4 79 B8R1.2 N#CC1CCCNC1 MC444266 [0,0,0,1,0,0|2,0,1]=4 80 B8R1.2 N#CC1CCOCC1 CS12562 [0,0,0,1,0,0|2,0,1]=4 81 B8R1.2 NCC1CCCCC1 MC20908 [0,0,0,1,0,0|1,0,1]=3 82 B8R1.2 NCC1CCCCN1 CS22822 [0,0,0,1,0,0|2,0,1]=4 83 B8R1.2 NCC1CCCOC1 CS18439 [0,0,0,1,0,0|2,0,1]=4 84 B8R1.2 NCC1CCCOC1 MC105501 [0,0,0,1,0,0|2,0,1]=4 85 B8R1.2 NCC1CCCOC1 MC105502 [0,0,0,1,0,0|2,0,1]=4 86 B8R1.2 NCC1CCOCC1 CS18584 [0,0,0,1,0,0|2,0,1]=4 87 B8R1.2 NCC1CCSCC1 MC102976 [0,0,0,1,0,0|2,0,1]=4 88 B8R1.2 NCC1CCSCC1 MC111187 [0,0,0,1,0,0|2,0,1]=4 89 B8R1.2 NNC1CCCCC1 MC442574 [0,0,0,1,0,0|2,0,0]=3 90 B8R1.2 NNC1CCCCC1 MC442575 [0,0,0,1,0,0|2,0,0]=3 91 B8R1.2 NNC1CCOCC1 CS13041 [0,0,0,1,0,0|3,0,0]=4 92 B8R1.2 NNC1CCOCC1 CS20368 [0,0,0,1,0,0|3,0,0]=4 93 B8R1.2 NOC1CCCCO1 CS17026 [0,0,0,1,0,0|3,0,0]=4 94 B8R1.2 O=CC1CCCCC1 MC20143 [0,0,0,1,0,0|1,0,0]=2 95 B8R1.2 O=CC1CCCOC1 MC442323 [0,0,0,1,0,0|2,0,0]=3 96 B8R1.2 O=CC1CCOCC1 MC445812 [0,0,0,1,0,0|2,0,0]=3 97 B8R1.2 O=CN1CCOCC1 CS11780 [0,0,0,1,0,0|3,0,0]=4 98 B8R1.2 OCC1CCC=CO1 MC20505 [0,0,0,1,0,0|2,0,1]=4 99 B8R1.2 OCC1CCCCC1 MC20144 [0,0,0,1,0,0|1,0,1]=3 100 B8R1.2 OCC1CCCCN1 CS21780 [0,0,0,1,0,0|2,0,1]=4 101 B8R1.2 OCC1CCCNC1 CS15958 [0,0,0,1,0,0|2,0,1]=4 102 B8R1.2 OCC1CCCNC1 CS22817 [0,0,0,1,0,0|2,0,1]=4 103 B8R1.2 OCC1CCCOC1 MC31058 [0,0,0,1,0,0|2,0,1]=4 104 B8R1.2 OCC1CCNCC1 CS22819 [0,0,0,1,0,0|2,0,1]=4 105 B8R1.2 OCC1CCOCC1 CS18741 [0,0,0,1,0,0|2,0,1]=4 106 B8R1.5 BrC1CCCCC1Br CS20488 [0,0,0,1,0,0|2,0,1]=4 107 B8R1.5 CC1=NCCCN1C MC20695 [0,0,0,1,0,0|2,0,1]=4 108 B8R1.5 CC1CCNCC1=O MC105562 [0,0,0,1,0,0|2,0,0]=3 109 B8R1.5 CC1CCNCC1O MC103744 [0,0,0,1,0,0|2,0,1]=4 110 B8R1.5 CC1CCNCC1O MC103745 [0,0,0,1,0,0|2,0,1]=4 111 B8R1.5 CC1CCNCC1O MC105563 [0,0,0,1,0,0|2,0,1]=4 112 B8R1.5 CC1CCNCC1O MC105564 [0,0,0,1,0,0|2,0,1]=4 113 B8R1.5 CC1CCNCC1O MC444275 [0,0,0,1,0,0|2,0,1]=4 114 B8R1.5 CC1CNCCC1=O MC106748 [0,0,0,1,0,0|2,0,0]=3 115 B8R1.5 CC1CNCCN1C MC444011 [0,0,0,1,0,0|2,0,1]=4 116 B8R1.5 CC1CNCCN1C MC444015 [0,0,0,1,0,0|2,0,1]=4 117 B8R1.5 CC1COCCC1=O MC425868 [0,0,0,1,0,0|2,0,0]=3 118 B8R1.5 CC1COCCC1N MC100869 [0,0,0,1,0,0|2,0,1]=4 119 B8R1.5 CC1COCCC1N MC104730 [0,0,0,1,0,0|2,0,1]=4 120 B8R1.5 CN1CCNCC1=O CS17040 [0,0,0,1,0,0|3,0,0]=4 121 B8R1.5 CN1CCNCC1=O CS18390 [0,0,0,1,0,0|3,0,0]=4 122 B8R1.5 NC1CCCCC1N CS11826 [0,0,0,1,0,0|2,0,1]=4 123 B8R1.5 NC1CCCCC1N CS22821 [0,0,0,1,0,0|2,0,1]=4 124 B8R1.5 NC1CCCCC1O CS12403 [0,0,0,1,0,0|2,0,1]=4 125 B8R1.5 NC1CCCCC1O CS12547 [0,0,0,1,0,0|2,0,1]=4 126 B8R1.5 NC1CCCCC1O CS12548 [0,0,0,1,0,0|2,0,1]=4 127 B8R1.5 NC1CCCCC1O CS14928 [0,0,0,1,0,0|2,0,1]=4 128 B8R1.5 NC1CCCCC1O CS18590 [0,0,0,1,0,0|2,0,1]=4 129 B8R1.5 NC1CCCCC1O MC20710 [0,0,0,1,0,0|2,0,1]=4 130 B8R1.5 NC1CCCCC1O MC20824 [0,0,0,1,0,0|2,0,1]=4 131 B8R1.5 NC1CCCNC1=O MC106744 [0,0,0,1,0,0|3,0,0]=4 132 B8R1.5 O=C1CCCCC1=O CS20486 [0,0,0,1,0,0|2,0,1]=4 133 B8R1.5 O=C1CCNCC1Br MC106749 [0,0,0,1,0,0|3,0,0]=4 134 B8R1.5 O=C1NCCCC1Br CS14644 [0,0,0,1,0,0|3,0,0]=4 135 B8R1.5 O=C1NCCCC1O CS19689 [0,0,0,1,0,0|3,0,0]=4 136 B8R1.5 O=C1OCCCC1O CS16147 [0,0,0,1,0,0|3,0,0]=4 137 B8R1.5 OC1CCCCC1F MC107093 [0,0,0,1,0,0|2,0,1]=4 138 B8R1.5 OC1CCCCC1O CS12029 [0,0,0,1,0,0|2,0,1]=4 139 B8R1.8 C#CCN1CCCC1 MC443168 [0,0,0,1,0,0|1,0,2]=4 140 B8R1.8 C#CCN1CCCC1 MC443717 [0,0,0,1,0,0|1,0,2]=4 141 B8R1.8 COCC1CCCN1 CS20310 [0,0,0,1,0,0|2,0,1]=4 142 B8R1.8 COCC1CCNC1 MC104848 [0,0,0,1,0,0|2,0,1]=4 143 B8R1.8 COCC1CCNC1 MC105535 [0,0,0,1,0,0|2,0,1]=4 144 B8R1.8 ClCCN1CCCC1 CS15769 [0,0,0,1,0,0|2,0,1]=4 145 B8R1.8 ICCC1CCCC1 MC106254 [0,0,0,1,0,0|1,0,1]=3 146 B8R1.8 NCCC1CCCC1 CS15909 [0,0,0,1,0,0|1,0,1]=3 147 B8R1.8 OCCC1CCCN1 MC103847 [0,0,0,1,0,0|2,0,1]=4 148 B8R1.8 OCCC1CCCN1 MC106622 [0,0,0,1,0,0|2,0,1]=4 149 B8R1.10 OCCOC1CCC1 MC121362 [0,0,0,1,0,0|2,0,1]=4 150 B8R1.11 CN1CCCC1CN MC444032 [0,0,0,1,0,0|2,0,1]=4 151 B8R1.11 CN1CCCC1CN MC444049 [0,0,0,1,0,0|2,0,1]=4 152 B8R1.11 CN1CCCC1CO CS14186 [0,0,0,1,0,0|2,0,1]=4 153 B8R1.11 CN1CCCC1CO CS22816 [0,0,0,1,0,0|2,0,1]=4 154 B8R1.11 N#CC1CCCC1=O CS20047 [0,0,0,1,0,0|2,0,1]=4 155 B8R1.11 N#CC1CCCC1N MC104396 [0,0,0,1,0,0|2,0,1]=4 156 B8R1.11 O=C1NCCC1CO MC104392 [0,0,0,1,0,0|3,0,0]=4 157 B8R1.22 CC1CCNCCN1 MC104490 [0,0,0,1,0,0|2,0,1]=4 158 B8R1.22 FC1CCCNCC1 MC103919 [0,0,0,1,0,0|2,0,1]=4 159 B8R1.22 NC1CCCCNC1 CS18624 [0,0,0,1,0,0|2,0,1]=4 160 B8R1.22 NC1CCCCNC1 MC104803 [0,0,0,1,0,0|2,0,1]=4 161 B8R1.22 NC1CCCCNC1 MC425605 [0,0,0,1,0,0|2,0,1]=4 162 B8R1.22 O=C1CCCNCC1 CS19096 [0,0,0,1,0,0|2,0,0]=3 163 B8R1.22 O=C1CCNCCN1 CS18857 [0,0,0,1,0,0|3,0,0]=4 164 B8R1.22 O=C1CCSCCN1 MC121122 [0,0,0,1,0,0|3,0,0]=4 165 B8R1.22 O=S1CCCNCC1 MC100495 [0,0,0,1,0,0|3,0,0]=4 166 B8R1.49 C1=CCCC=CCC1 CS14877 [0,0,0,1,0,0|0,0,2]=3 167 B8R1.49 C1=CCCC=CCC1 MC115088 [0,0,0,1,0,0|0,0,2]=3 168 B8R1.49 C1=CCCC=CCC1 MC444943 [0,0,0,1,0,0|0,0,2]=3 169 B8R1.49 C1=CCCC=CCC1 MC444983 [0,0,0,1,0,0|0,0,2]=3 170 B8R1.49 C1=CCCC=CCC1 MC444992 [0,0,0,1,0,0|0,0,2]=3 171 B8R1.49 C1=CCCC=CCC1 MC444993 [0,0,0,1,0,0|0,0,2]=3 172 B8R1.49 C1=CCCC=CCC1 MC444996 [0,0,0,1,0,0|0,0,2]=3 173 B8R1.49 C1=CCCC=CCC1 MC444997 [0,0,0,1,0,0|0,0,2]=3 174 B8R1.49 C1=CCCC=CCC1 MC444998 [0,0,0,1,0,0|0,0,2]=3 175 B8R1.49 C1=CCCC=CCC1 MC445003 [0,0,0,1,0,0|0,0,2]=3 176 B8R1.49 C1=CCCC=CCC1 MC445012 [0,0,0,1,0,0|0,0,2]=3 177 B8R1.49 C1=CCCCCCC1 MC445004 [0,0,0,1,0,0|0,0,0]=1 178 B5R0.2 BrCCCCBr MC41885 [2,0,0,0,0,0|2,0,0]=4 179 B5R0.2 C=CCCON MC110761 [2,0,0,0,0,0|2,0,0]=4 180 B5R0.2 C=CCC[Zn]Br MC121337 [2,0,0,0,0,0|2,0,0]=4 181 B5R0.2 CCCCCBr CS20657 [2,0,0,0,0,0|1,0,0]=3 182 B5R0.2 CCCC[Zn]Br MC121334 [2,0,0,0,0,0|2,0,0]=4 183 B5R0.2 CCOCCBr CS21396 [2,0,0,0,0,0|2,0,0]=4 184 B5R0.2 CCOCCCl MC428008 [2,0,0,0,0,0|2,0,0]=4 185 B5R0.2 CNCCCO CS14200 [2,0,0,0,0,0|2,0,0]=4 186 B5R0.2 CNCCNC CS15116 [2,0,0,0,0,0|2,0,0]=4 187 B5R0.2 CNCCOC MC427349 [2,0,0,0,0,0|2,0,0]=4 188 B5R0.2 COCCCBr CS20649 [2,0,0,0,0,0|2,0,0]=4 189 B5R0.2 COCCCO CS20039 [2,0,0,0,0,0|2,0,0]=4 190 B5R0.2 COCCOC MC41899 [2,0,0,0,0,0|2,0,0]=4 191 B5R0.2 COCCOC MC445008 [2,0,0,0,0,0|2,0,0]=4 192 B5R0.2 NCCCCBr CS14979 [2,0,0,0,0,0|2,0,0]=4 193 B5R0.2 NCCCCN CS19906 [2,0,0,0,0,0|2,0,0]=4 194 B7R0.3 C=CCCC(O)CCl MC114485 [1,1,0,0,0,0|1,0,0]=3 195 B7R0.3 CCC(O)CCCO MC116029 [1,1,0,0,0,0|1,0,0]=3 196 B7R0.3 CSCCC(N)CO MC437961 [1,1,0,0,0,0|2,0,0]=4 197 B7R0.4 CC(=O)CCCCBr CS10627 [1,1,0,0,0,0|1,0,1]=4 198 B7R0.4 CC(O)CCCCO MC112436 [1,1,0,0,0,0|1,0,0]=3 199 B7R0.4 CCCCCB(O)O CS22305 [1,1,0,0,0,0|2,0,0]=4 200 B7R0.4 CCCCCC(C)O CS21570 [1,1,0,0,0,0|0,0,1]=3 201 B7R0.4 CCCOCC(=O)O MC425744 [1,1,0,0,0,0|2,0,0]=4 202 B7R0.4 CN(C)CCCCO CS22813 [1,1,0,0,0,0|2,0,0]=4 203 B7R0.4 COCCCC(C)N MC112163 [1,1,0,0,0,0|1,0,1]=4 204 B7R0.4 NCCCCC(=O)O MC428108 [1,1,0,0,0,0|2,0,0]=4 205 B7R0.4 O=C(O)CCCCBr MC41866 [1,1,0,0,0,0|2,0,0]=4 206 B7R0.7 CCCC(N)CCO CS16692 [1,1,0,0,0,0|1,0,0]=3 207 B9R0.4 C[Se]CCC(N)CC(=O)O MC435596 [0,2,0,0,0,0|2,0,0]=4 208 B9R0.4 C[Se]CCC(N)CC(=O)O MC435597 [0,2,0,0,0,0|2,0,0]=4 209 B9R0.5 CCCCCC(C)CCBr MC112329 [0,2,0,0,0,0|0,0,2]=4 210 B9R0.5 CCCCCC(C)CCO MC112328 [0,2,0,0,0,0|0,0,2]=4 211 B9R0.18 CCCCC(N)CCCC MC428161 [0,2,0,0,0,0|0,0,2]=4 212 B9R0.48 CCCC(C)CCC(=O)O MC112366 [0,2,0,0,0,0|1,0,0]=3 213 B9R0.2 CCCCCCCC(=O)Cl MC40496 [0,2,0,0,0,0|0,0,1]=3 214 B9R0.2 CCCCCCOC(=O)Cl CS11449 [0,2,0,0,0,0|1,0,0]=3 215 B9R0.2 CCCSCCCC(=O)O MC112372 [0,2,0,0,0,0|1,0,0]=3 216 B9R0.2 NCCCCCCC(=O)O CS10138 [0,2,0,0,0,0|1,0,0]=3 217 B9R0.2 O=C(O)CCCCCCO CS10820 [0,2,0,0,0,0|1,0,0]=3 218 B9R0.45 C#CCCCCCCCO MC424005 [0,2,0,0,0,0|0,0,2]=4 219 B9R0.45 C=COOOCCCCC MC438071 [0,2,0,0,0,0|1,0,0]=3 220 B9R0.45 CCCCCCCCNC CS15827 [0,2,0,0,0,0|0,0,2]=4 221 B9R0.45 ClCCCCCCCCCl CS20556 [0,2,0,0,0,0|0,0,2]=4 222 B9R0.45 OCCCCCCCCBr CS14609 [0,2,0,0,0,0|0,0,2]=4 223 B9R0.45 OCCCCCCCCO CS20567 [0,2,0,0,0,0|0,0,2]=4 224 B9R0.46 COC(=O)CCCCCN CS11662 [0,2,0,0,0,0|1,0,1]=4 225 B9R0.47 NCCCCC(N)C(=O)O CS18635 [0,2,0,0,0,0|2,0,0]=4 226 B9R0.47 NCCCCC(N)C(=O)O CS18638 [0,2,0,0,0,0|2,0,0]=4 227 B9R0.47 NCCCCC(N)C(=O)O CS19147 [0,2,0,0,0,0|2,0,0]=4 228 B9R0.47 NCCCCC(N)C(=O)O CS19277 [0,2,0,0,0,0|2,0,0]=4 229 B9R0.47 NCCCCC(N)C(=O)O MC20432 [0,2,0,0,0,0|2,0,0]=4 230 B9R0.47 NCCCCC(N)C(=O)O MC435005 [0,2,0,0,0,0|2,0,0]=4 231 B9R0.47 NCCCCC(N)C(=O)O MC439006 [0,2,0,0,0,0|2,0,0]=4 232 B9R0.47 NCCCCC(N)C(N)=O MC437847 [0,2,0,0,0,0|2,0,0]=4 233 B9R0.47 NCCCCC(N)C(N)=O MC437848 [0,2,0,0,0,0|2,0,0]=4 234 B9R0.38 CCCCCCS(=O)(=O)[O-] MC445020 [0,2,0,0,0,0|2,0,0]=4 235 B9R0.38 CCCCCCS(=O)(=O)[O-] MC445026 [0,2,0,0,0,0|2,0,0]=4 236 B7R1.1 BrCC1CCCC1 MC20145 [1,0,0,1,0,0|1,0,0]=3 237 B7R1.1 BrCC1CCCN1 MC114648 [1,0,0,1,0,0|2,0,0]=4 238 B7R1.1 BrCC1CCCO1 MC106365 [1,0,0,1,0,0|2,0,0]=4 239 B7R1.1 Br[Zn]C1CCCC1 MC121342 [1,0,0,1,0,0|2,0,0]=4 240 B7R1.1 CCC1CCCN1 MC110951 [1,0,0,1,0,0|1,0,0]=3 241 B7R1.1 COC1CCCN1 MC41692 [1,0,0,1,0,0|2,0,0]=4 242 B7R1.1 FCC1CCCN1 MC100102 [1,0,0,1,0,0|2,0,0]=4 243 B7R1.1 FCC1CCNC1 MC103199 [1,0,0,1,0,0|2,0,0]=4 244 B7R1.1 N#CC1CCCC1 MC433761 [1,0,0,1,0,0|1,0,1]=4 245 B7R1.1 NCC1CCCC1 CS14873 [1,0,0,1,0,0|1,0,0]=3 246 B7R1.1 NCC1CCCN1 CS15469 [1,0,0,1,0,0|2,0,0]=4 247 B7R1.1 NCC1CCCN1 CS15745 [1,0,0,1,0,0|2,0,0]=4 248 B7R1.1 NCC1CCNC1 MC431426 [1,0,0,1,0,0|2,0,0]=4 249 B7R1.1 NCC1CCOC1 MC102307 [1,0,0,1,0,0|2,0,0]=4 250 B7R1.1 NCC1CCOC1 MC103862 [1,0,0,1,0,0|2,0,0]=4 251 B7R1.1 NCC1CCOC1 MC115675 [1,0,0,1,0,0|2,0,0]=4 252 B7R1.1 NCC1CCOC1 MC121256 [1,0,0,1,0,0|2,0,0]=4 253 B7R1.1 O=CC1CCCC1 MC21048 [1,0,0,1,0,0|1,0,0]=3 254 B7R1.1 OCC1CCCC1 CS11185 [1,0,0,1,0,0|1,0,0]=3 255 B7R1.1 OCC1CCCN1 CS17003 [1,0,0,1,0,0|2,0,0]=4 256 B7R1.1 OCC1CCCN1 CS22640 [1,0,0,1,0,0|2,0,0]=4 257 B7R1.1 OCC1CCCO1 MC20392 [1,0,0,1,0,0|2,0,0]=4 258 B7R1.1 OCC1CCNC1 CS11284 [1,0,0,1,0,0|2,0,0]=4 259 B7R1.1 OCC1CCNC1 CS16764 [1,0,0,1,0,0|2,0,0]=4 260 B7R1.1 OCC1CCNC1 CS18341 [1,0,0,1,0,0|2,0,0]=4 261 B7R1.1 OCC1CCNC1 MC102405 [1,0,0,1,0,0|2,0,0]=4 262 B7R1.1 OCC1CCNC1 MC115660 [1,0,0,1,0,0|2,0,0]=4 263 B7R1.1 OCC1CCOC1 MC113000 [1,0,0,1,0,0|2,0,0]=4 264 B7R1.1 OCC1CCOC1 MC113001 [1,0,0,1,0,0|2,0,0]=4 265 B7R1.1 OCC1CCOC1 MC427704 [1,0,0,1,0,0|2,0,0]=4 266 B7R1.3 BrC1CCCCC1 CS11079 [1,0,0,1,0,0|1,0,0]=3 267 B7R1.3 BrC1CCNCC1 CS18356 [1,0,0,1,0,0|2,0,0]=4 268 B7R1.3 BrC1CCOCC1 CS18193 [1,0,0,1,0,0|2,0,0]=4 269 B7R1.3 CC1CCCCN1 MC20418 [1,0,0,1,0,0|1,0,0]=3 270 B7R1.3 CC1CCCNC1 CS16133 [1,0,0,1,0,0|1,0,1]=4 271 B7R1.3 CC1CCCNC1 MC425227 [1,0,0,1,0,0|1,0,1]=4 272 B7R1.3 CC1CNCCN1 CS13503 [1,0,0,1,0,0|2,0,0]=4 273 B7R1.3 CC1CNCCN1 CS17164 [1,0,0,1,0,0|2,0,0]=4 274 B7R1.3 CC1CNCCN1 CS17167 [1,0,0,1,0,0|2,0,0]=4 275 B7R1.3 CC1CNCCO1 CS14515 [1,0,0,1,0,0|2,0,0]=4 276 B7R1.3 CC1CNCCO1 CS14521 [1,0,0,1,0,0|2,0,0]=4 277 B7R1.3 CC1CNCCO1 CS19299 [1,0,0,1,0,0|2,0,0]=4 278 B7R1.3 CC1CNCCO1 CS21692 [1,0,0,1,0,0|2,0,0]=4 279 B7R1.3 CC1CNCCO1 MC444038 [1,0,0,1,0,0|2,0,0]=4 280 B7R1.3 CC1CNCCO1 MC444192 [1,0,0,1,0,0|2,0,0]=4 281 B7R1.3 CC1COCCN1 CS14856 [1,0,0,1,0,0|2,0,0]=4 282 B7R1.3 CC1COCCN1 CS20285 [1,0,0,1,0,0|2,0,0]=4 283 B7R1.3 CC1COCCN1 CS22371 [1,0,0,1,0,0|2,0,0]=4 284 B7R1.3 CC1COCCN1 CS22413 [1,0,0,1,0,0|2,0,0]=4 285 B7R1.3 CC1COCCN1 MC20820 [1,0,0,1,0,0|2,0,0]=4 286 B7R1.3 ClC1CCNCC1 CS16938 [1,0,0,1,0,0|2,0,0]=4 287 B7R1.3 FC1CCCNC1 MC101908 [1,0,0,1,0,0|2,0,0]=4 288 B7R1.3 FC1CCCNC1 MC101918 [1,0,0,1,0,0|2,0,0]=4 289 B7R1.3 FC1CCCNC1 MC444270 [1,0,0,1,0,0|2,0,0]=4 290 B7R1.3 FC1CCNCC1 CS22845 [1,0,0,1,0,0|2,0,0]=4 291 B7R1.3 IC1CCOCC1 CS18194 [1,0,0,1,0,0|2,0,0]=4 292 B7R1.3 NC1CCCNC1 CS17178 [1,0,0,1,0,0|2,0,0]=4 293 B7R1.3 NC1CCCNC1 CS17182 [1,0,0,1,0,0|2,0,0]=4 294 B7R1.3 NC1CCCNC1 CS22655 [1,0,0,1,0,0|2,0,0]=4 295 B7R1.3 NC1CCOCC1 CS16997 [1,0,0,1,0,0|2,0,0]=4 296 B7R1.3 NC1CCOCC1 CS18985 [1,0,0,1,0,0|2,0,0]=4 297 B7R1.3 O=C1C=CCCC1 MC41883 [1,0,0,1,0,0|1,0,1]=4 298 B7R1.3 O=C1CCCCN1 MC429045 [1,0,0,1,0,0|2,0,0]=4 299 B7R1.3 O=C1CCCCO1 CS11208 [1,0,0,1,0,0|2,0,0]=4 300 B7R1.3 O=C1CCCNC1 CS14768 [1,0,0,1,0,0|2,0,0]=4 301 B7R1.3 O=C1CCCNC1 CS17767 [1,0,0,1,0,0|2,0,0]=4 302 B7R1.3 O=C1CCCOC1 MC31097 [1,0,0,1,0,0|2,0,0]=4 303 B7R1.3 O=C1CCNCC1 CS22790 [1,0,0,1,0,0|2,0,0]=4 304 B7R1.3 O=C1CCOCC1 CS13380 [1,0,0,1,0,0|2,0,0]=4 305 B7R1.3 O=C1CCSCC1 CS18797 [1,0,0,1,0,0|2,0,0]=4 306 B7R1.3 OC1CCCNC1 CS17016 [1,0,0,1,0,0|2,0,0]=4 307 B7R1.3 OC1CCCNC1 CS17020 [1,0,0,1,0,0|2,0,0]=4 308 B7R1.3 OC1CCCNC1 CS22642 [1,0,0,1,0,0|2,0,0]=4 309 B7R1.3 OC1CCCOC1 CS17782 [1,0,0,1,0,0|2,0,0]=4 310 B7R1.3 OC1CCNCC1 CS14900 [1,0,0,1,0,0|2,0,0]=4 311 B7R1.3 OC1CCNCC1 CS22643 [1,0,0,1,0,0|2,0,0]=4 312 B7R1.3 OC1CCOCC1 CS13929 [1,0,0,1,0,0|2,0,0]=4 313 B7R1.3 OC1CCSCC1 CS12012 [1,0,0,1,0,0|2,0,0]=4 314 B7R1.3 SC1CCCNC1 MC105166 [1,0,0,1,0,0|2,0,0]=4 315 B7R1.3 SC1CCOCC1 MC107026 [1,0,0,1,0,0|2,0,0]=4 316 B7R1.4 CC1COCC1N MC444024 [1,0,0,1,0,0|2,0,0]=4 317 B7R1.4 CC1OCCC1=O CS14135 [1,0,0,1,0,0|2,0,0]=4 318 B7R1.4 CN1CCCC1=O MC41699 [1,0,0,1,0,0|2,0,0]=4 319 B7R1.4 NC1CCCC1O CS11147 [1,0,0,1,0,0|2,0,0]=4 320 B7R1.4 NC1CCCC1O CS15594 [1,0,0,1,0,0|2,0,0]=4 321 B7R1.4 NC1CCCC1O CS18884 [1,0,0,1,0,0|2,0,0]=4 322 B7R1.4 NC1CCCC1O CS19404 [1,0,0,1,0,0|2,0,0]=4 323 B7R1.4 O=C1CCCC1Br MC445112 [1,0,0,1,0,0|2,0,0]=4 324 B7R1.6 COCC1CCN1 MC103809 [1,0,0,1,0,0|2,0,0]=4 325 B7R1.6 COCC1CCN1 MC103810 [1,0,0,1,0,0|2,0,0]=4 326 B7R1.6 ClCCN1CCC1 MC103600 [1,0,0,1,0,0|2,0,0]=4 327 B7R1.6 NNCC1CCC1 MC106836 [1,0,0,1,0,0|2,0,0]=4 328 B7R1.6 OCCN1CCC1 MC106862 [1,0,0,1,0,0|2,0,0]=4 329 B7R1.7 C=CCCC1CO1 MC42008 [1,0,0,1,0,0|1,0,0]=3 330 B7R1.8 CN1CCC1CN MC104666 [1,0,0,1,0,0|2,0,0]=4 331 B7R1.8 CN1CCC1CN MC104667 [1,0,0,1,0,0|2,0,0]=4 332 B7R1.8 CN1CCC1CN MC105491 [1,0,0,1,0,0|2,0,0]=4 333 B7R1.8 O=C1CCC1CO MC104211 [1,0,0,1,0,0|2,0,0]=4 334 B7R1.8 O=C1CCC1CO MC104212 [1,0,0,1,0,0|2,0,0]=4 335 B7R1.8 O=C1CCC1CO MC104213 [1,0,0,1,0,0|2,0,0]=4 336 B7R1.24 C1CNCCNC1 MC31155 [1,0,0,1,0,0|2,0,0]=4 337 B7R1.24 C1CNCCOC1 CS17007 [1,0,0,1,0,0|2,0,0]=4 338 B9R1.2 CC1CCCC(CO)N1 MC104326 [0,1,0,1,0,0|1,0,1]=4 339 B9R1.7 CCCC1COC(=O)C1 MC426027 [0,1,0,1,0,0|1,0,1]=4 340 B9R1.7 CCOC1=CC(=O)CC1 MC425592 [0,1,0,1,0,0|1,0,1]=4 341 B9R1.8 BrCCN1CCCCC1 CS16757 [0,1,0,1,0,0|1,0,1]=4 342 B9R1.8 Br[Zn]CC1CCCCC1 MC121338 [0,1,0,1,0,0|1,0,1]=4 343 B9R1.8 C#CCN1CCCCC1 CS15416 [0,1,0,1,0,0|0,0,2]=4 344 B9R1.8 CCNC1CCCCC1 CS11778 [0,1,0,1,0,0|0,0,2]=4 345 B9R1.8 CCOC1CCCNC1 CS13869 [0,1,0,1,0,0|1,0,1]=4 346 B9R1.8 CNCC1CCCOC1 MC104397 [0,1,0,1,0,0|1,0,1]=4 347 B9R1.8 ClCCN1CCCCC1 CS19629 [0,1,0,1,0,0|1,0,1]=4 348 B9R1.8 N#CCC1CCCNC1 MC113061 [0,1,0,1,0,0|1,0,1]=4 349 B9R1.8 N#CCC1CCNCC1 MC121092 [0,1,0,1,0,0|1,0,1]=4 350 B9R1.8 N#CCC1CCNCC1 MC425238 [0,1,0,1,0,0|1,0,1]=4 351 B9R1.8 NCCC1CCCCC1 CS18358 [0,1,0,1,0,0|0,0,2]=4 352 B9R1.8 NCCC1CCOCC1 MC20509 [0,1,0,1,0,0|1,0,1]=4 353 B9R1.8 NCCN1CCCCC1 CS16099 [0,1,0,1,0,0|1,0,1]=4 354 B9R1.8 O=CCN1CCOCC1 MC104422 [0,1,0,1,0,0|2,0,0]=4 355 B9R1.8 OCCC1CCCCN1 CS13732 [0,1,0,1,0,0|1,0,1]=4 356 B9R1.8 OCCC1CCCCN1 CS17564 [0,1,0,1,0,0|1,0,1]=4 357 B9R1.8 OCCC1CCCCN1 MC445188 [0,1,0,1,0,0|1,0,1]=4 358 B9R1.12 CCCCC1C=CC=C1 MC114482 [0,1,0,1,0,0|0,0,1]=3 359 B9R1.12 NCCCN1CCCC1 CS20406 [0,1,0,1,0,0|1,0,1]=4 360 B9R1.15 CC1NCCCC1C#N MC115576 [0,1,0,1,0,0|1,0,1]=4 361 B9R1.15 CCC1CNCCC1=O CS17950 [0,1,0,1,0,0|1,0,0]=3 362 B9R1.15 CN1CCCCC1CO CS16091 [0,1,0,1,0,0|1,0,1]=4 363 B9R1.15 CN1CCCCC1CO CS16092 [0,1,0,1,0,0|1,0,1]=4 364 B9R1.15 CN1CCCCC1CO CS18858 [0,1,0,1,0,0|1,0,1]=4 365 B9R1.15 COC1CCCNC1=O CS12712 [0,1,0,1,0,0|2,0,0]=4 366 B9R1.15 N#CC1CCCCC1=O MC33325 [0,1,0,1,0,0|1,0,1]=4 367 B9R1.15 O=CC1=C(Cl)CCCC1 MC107245 [0,1,0,1,0,0|1,0,1]=4 368 B9R1.33 CN1CCCC1CCN CS17253 [0,1,0,1,0,0|1,0,1]=4 369 B9R1.33 CN1CCCC1CCN CS17948 [0,1,0,1,0,0|1,0,1]=4 370 B9R1.33 CN1CCCC1CCN MC105423 [0,1,0,1,0,0|1,0,1]=4 371 B9R1.33 COCC1CCCC1=O MC106167 [0,1,0,1,0,0|1,0,0]=3 372 B9R1.33 O=C1CCCN1CCBr MC431361 [0,1,0,1,0,0|2,0,0]=4 373 B9R1.48 O=C1CCCCC(=O)C1 CS20375 [0,1,0,1,0,0|1,0,1]=4 374 B9R1.49 CN1CCCC(=O)CC1 CS13899 [0,1,0,1,0,0|2,0,0]=4 375 B9R1.49 CN1CCCC(N)CC1 MC444311 [0,1,0,1,0,0|1,0,1]=4 376 B9R1.49 CN1CCCC(O)CC1 CS13879 [0,1,0,1,0,0|1,0,1]=4 377 B9R1.50 O=C1CCCCCCN1 CS21316 [0,1,0,1,0,0|1,0,0]=3 378 B9R1.69 CC1CC(N)CCN1C MC104351 [0,1,0,1,0,0|1,0,1]=4 379 B9R1.69 CN1CC(N)CCC1=O MC104028 [0,1,0,1,0,0|2,0,0]=4 380 B9R1.69 CN1CC(N)CCC1=O MC444375 [0,1,0,1,0,0|2,0,0]=4 381 B9R1.69 CN1CCC(N)CC1=O MC105288 [0,1,0,1,0,0|2,0,0]=4 382 B9R1.5 CN1CCCNCC1=O MC100103 [0,1,0,1,0,0|2,0,0]=4 383 B9R1.5 NC1CCCCNC1=O CS15569 [0,1,0,1,0,0|2,0,0]=4 384 B9R1.5 NC1CCCCNC1=O CS15816 [0,1,0,1,0,0|2,0,0]=4 385 B9R1.5 NC1CCCCNC1=O MC425745 [0,1,0,1,0,0|2,0,0]=4 386 B9R1.14 CCN1CCCC1CN CS10140 [0,1,0,1,0,0|1,0,1]=4 387 B9R1.89 COC1CCCNCC1 MC101899 [0,1,0,1,0,0|1,0,1]=4 388 B9R1.89 N#CC1CCCNCC1 MC425892 [0,1,0,1,0,0|1,0,1]=4 389 B9R1.89 OCC1CCCCNC1 MC105285 [0,1,0,1,0,0|1,0,1]=4 390 B9R1.1 CNC1CCC(O)CC1 MC103812 [0,1,0,1,0,0|1,0,1]=4 391 B9R1.1 COC1CCC(N)CC1 CS13257 [0,1,0,1,0,0|1,0,1]=4 392 B9R1.1 COC1CCC(N)CC1 MC429972 [0,1,0,1,0,0|1,0,1]=4 393 B9R1.1 COC1CCC(O)CC1 CS15906 [0,1,0,1,0,0|1,0,1]=4 394 B9R1.1 N#CC1CCC(O)CC1 CS14344 [0,1,0,1,0,0|1,0,1]=4 395 B9R1.1 NC1CCC(CO)CC1 MC425647 [0,1,0,1,0,0|1,0,1]=4 396 B9R1.1 NCC1CCC(O)CC1 MC102788 [0,1,0,1,0,0|1,0,1]=4 397 B9R1.1 NCC1CCC(O)CC1 MC103405 [0,1,0,1,0,0|1,0,1]=4 398 B9R1.1 NCC1CCC(O)CC1 MC104233 [0,1,0,1,0,0|1,0,1]=4 399 B9R1.1 O=CC1CCC(=O)CC1 MC112097 [0,1,0,1,0,0|1,0,1]=4 400 B9R1.3 CC1C(=O)CCCC1=O CS10132 [0,1,0,1,0,0|1,0,1]=4 401 B9R1.3 CN1CCCC(N)C1=O MC103467 [0,1,0,1,0,0|2,0,0]=4 402 B9R1.3 CN1CCCC(N)C1=O MC104792 [0,1,0,1,0,0|2,0,0]=4 403 B9R1.3 CN1CCCC(N)C1=O MC106967 [0,1,0,1,0,0|2,0,0]=4 404 B9R1.118 C#CC1(C)CCCCC1 MC114544 [0,1,0,1,0,0|0,0,2]=4 405 B9R1.118 CCC1(O)CCCCC1 MC111123 [0,1,0,1,0,0|0,0,2]=4 406 B9R1.118 OC1(CBr)CCCCC1 MC107759 [0,1,0,1,0,0|1,0,1]=4 407 B9R1.6 CC(=O)C1C=CCCC1 MC430670 [0,1,0,1,0,0|0,0,1]=3 408 B9R1.6 CC(=O)C1CCOCC1 CS13055 [0,1,0,1,0,0|1,0,1]=4 409 B9R1.6 N=C(N)N1CCCCC1 MC106899 [0,1,0,1,0,0|2,0,0]=4 410 B9R1.6 NC(=O)C1CCCCN1 MC425161 [0,1,0,1,0,0|2,0,0]=4 411 B9R1.6 NC(=O)C1CCCNC1 CS18298 [0,1,0,1,0,0|2,0,0]=4 412 B9R1.6 NC(=O)C1CCCNC1 MC103934 [0,1,0,1,0,0|2,0,0]=4 413 B9R1.6 NC(=O)C1CCCNC1 MC105293 [0,1,0,1,0,0|2,0,0]=4 414 B9R1.6 NC(=O)C1CCNCC1 CS22309 [0,1,0,1,0,0|2,0,0]=4 415 B9R1.6 O=C(O)C1CCCCC1 CS16426 [0,1,0,1,0,0|1,0,0]=3 416 B9R1.6 O=C(O)C1CCCCN1 CS13937 [0,1,0,1,0,0|2,0,0]=4 417 B9R1.6 O=C(O)C1CCCCN1 CS18416 [0,1,0,1,0,0|2,0,0]=4 418 B9R1.6 O=C(O)C1CCCCN1 CS18418 [0,1,0,1,0,0|2,0,0]=4 419 B9R1.6 O=C(O)C1CCCCN1 CS18433 [0,1,0,1,0,0|2,0,0]=4 420 B9R1.6 O=C(O)C1CCCNC1 CS12538 [0,1,0,1,0,0|2,0,0]=4 421 B9R1.6 O=C(O)C1CCCNC1 CS22802 [0,1,0,1,0,0|2,0,0]=4 422 B9R1.6 O=C(O)C1CCCNC1 CS22806 [0,1,0,1,0,0|2,0,0]=4 423 B9R1.6 O=C(O)C1CCCOC1 CS18526 [0,1,0,1,0,0|2,0,0]=4 424 B9R1.6 O=C(O)C1CCCSC1 MC113062 [0,1,0,1,0,0|2,0,0]=4 425 B9R1.6 O=C(O)C1CCNCC1 CS15208 [0,1,0,1,0,0|2,0,0]=4 426 B9R1.6 O=C(O)C1CCNCC1 CS22807 [0,1,0,1,0,0|2,0,0]=4 427 B9R1.6 O=C(O)C1CCOCC1 CS18392 [0,1,0,1,0,0|2,0,0]=4 428 B9R1.6 OB(O)C1CCCCC1 CS18573 [0,1,0,1,0,0|2,0,0]=4 429 B9R1.13 O=C(Cl)OC1CCCC1 CS11187 [0,1,0,1,0,0|2,0,0]=4 430 B9R1.13 O=C(O)CC1CCCC1 MC112805 [0,1,0,1,0,0|1,0,0]=3 431 B9R1.13 O=C(O)CC1CCCN1 MC106679 [0,1,0,1,0,0|2,0,0]=4 432 B9R1.13 O=C(O)CC1CCNC1 MC104574 [0,1,0,1,0,0|2,0,0]=4 433 B9R1.13 O=C(O)CC1CCNC1 MC105475 [0,1,0,1,0,0|2,0,0]=4 434 B9R1.13 O=C(O)CC1CCOC1 CS20367 [0,1,0,1,0,0|2,0,0]=4 435 B9R1.40 CC1(C)CCCOC1=O MC112082 [0,1,0,1,0,0|2,0,0]=4 436 B9R1.40 CC1(C)COCCC1=O CS16380 [0,1,0,1,0,0|2,0,0]=4 437 B9R1.41 CN1CCCC1C(=O)O CS11794 [0,1,0,1,0,0|2,0,0]=4 438 B9R1.41 CN1CCCC1C(=O)O MC437939 [0,1,0,1,0,0|2,0,0]=4 439 B9R1.84 O=C(O)COC1CCC1 MC33255 [0,1,0,1,0,0|2,0,0]=4 440 B9R2.49 C1CC2CCC1CN2 MC425241 [0,0,0,2,0,0|1,0,1]=4 441 B9R2.68 C1=CC2CCC(C1)N2 MC107768 [0,0,0,2,0,0|1,0,0]=3 442 B9R2.68 C1CC2CCC(C1)N2 MC444465 [0,0,0,2,0,0|1,0,1]=4 443 B9R2.174 C1CCC2(CC2)NC1 MC121178 [0,0,0,2,0,0|1,0,1]=4 444 B9R2.109 O=C1CCCC2CC12 MC102253 [0,0,0,2,0,0|1,0,0]=3 445 B9R2.3 C1CC2CNCC2C1 CS11156 [0,0,0,2,0,0|1,0,1]=4 446 B9R2.3 C1CC2CNCC2C1 CS19616 [0,0,0,2,0,0|1,0,1]=4 447 B9R2.3 C1CC2CNCC2C1 MC104639 [0,0,0,2,0,0|1,0,1]=4 448 B9R2.173 C1CC2(C1)CCNC2 MC102194 [0,0,0,2,0,0|1,0,1]=4 449 B9R2.173 C1CCC2(C1)CCN2 MC104800 [0,0,0,2,0,0|1,0,1]=4 450 B9R2.173 C1CCC2(C1)CNC2 MC103514 [0,0,0,2,0,0|1,0,1]=4 451 B9R2.173 C1CCC2(C1)CNC2 MC105257 [0,0,0,2,0,0|1,0,1]=4 452 B9R2.173 C1CNC2(C1)CCC2 MC102196 [0,0,0,2,0,0|1,0,1]=4 453 B9R2.173 C1CNC2(C1)CCC2 MC105663 [0,0,0,2,0,0|1,0,1]=4 454 B9R2.28 OCCC1CC12CC2 MC102557 [0,0,0,2,0,0|1,0,1]=4