0 B7R0.5 C=C(C)C(=O)OCC SBB061402 [0,0,0,0,0,0|1,0,1]=2 1 B7R0.5 CCCC(=O)N(C)C SBB008345 [0,0,0,0,0,0|3,0,0]=3 2 B7R0.5 CCCC(C)C(C)O SBB061491 [0,0,0,0,0,0|2,1,1]=4 3 B7R0.5 CCOC(=O)C(C)Br SBB058608 [0,0,0,0,0,0|1,0,0]=1 4 B7R0.5 CCOC(=O)C(C)C SBB060711 [0,0,0,0,0,0|1,0,0]=1 5 B7R0.5 CCOC(=O)C(C)N SBB004040 [0,0,0,0,0,0|1,0,0]=1 6 B7R0.5 CCOC(=O)C(F)Br SBB070746 [0,0,0,0,0,0|2,0,0]=2 7 B7R0.5 CCOC(=O)C(F)I SBB097841 [0,0,0,0,0,0|2,0,0]=2 8 B7R0.5 CCOC(=O)C(N)=S SBB056420 [0,0,0,0,0,0|1,0,2]=3 9 B7R0.5 CCOC(F)=C(F)F SBB085623 [0,0,0,0,0,0|3,0,1]=4 10 B7R0.5 CN(C)C(=O)CCN SBB085472 [0,0,0,0,0,0|4,0,0]=4 11 B6R0.1 C#CC(=O)OCC SBB060344 [1,0,0,0,0,0|0,0,2]=3 12 B6R0.1 C=CC(=O)OCC SBB060348 [1,0,0,0,0,0|0,0,2]=3 13 B6R0.1 CCCC(=O)CC SBB061496 [1,0,0,0,0,0|1,0,0]=2 14 B6R0.1 CCCC(=O)NN SBB028175 [1,0,0,0,0,0|3,0,0]=4 15 B6R0.1 CCCC(=O)OC SBB061104 [1,0,0,0,0,0|2,0,0]=3 16 B6R0.1 CCCC(O)CC SBB061363 [1,0,0,0,0,0|1,0,2]=4 17 B6R0.1 CCNC(=O)CBr SBB051008 [1,0,0,0,0,0|2,0,0]=3 18 B6R0.1 CCNC(=O)CCl SBB008200 [1,0,0,0,0,0|2,0,0]=3 19 B6R0.1 CCOC(=O)CBr SBB060995 [1,0,0,0,0,0|1,0,0]=2 20 B6R0.1 CCOC(=O)CC SBB060312 [1,0,0,0,0,0|0,0,0]=1 21 B6R0.1 CCOC(=O)NN SBB028182 [1,0,0,0,0,0|2,0,0]=3 22 B6R0.1 COC(=O)CCBr SBB070709 [1,0,0,0,0,0|3,0,0]=4 23 B6R0.1 COC(=O)CCN SBB071679 [1,0,0,0,0,0|3,0,0]=4 24 B6R0.1 C\C=C\C(=O)OC SBB061218 [1,0,0,0,0,0|2,0,1]=4 25 B6R0.1 OCNC(=O)CCl SBB004273 [1,0,0,0,0,0|3,0,0]=4 26 B6R0.1 [NH3+]CC(=O)OCC SBB056599 [1,0,0,0,0,0|1,0,0]=2 27 B6R0.3 C=C(C)C(=O)OC SBB060556 [1,0,0,0,0,0|1,0,1]=3 28 B6R0.3 CC(C)C(=O)NN SBB030401 [1,0,0,0,0,0|3,0,0]=4 29 B6R0.3 CCC(=O)C(C)=O SBB061626 [1,0,0,0,0,0|0,1,1]=3 30 B6R0.3 CCC(C)C(C)C SBB061452 [1,0,0,0,0,0|2,0,1]=4 31 B6R0.3 CN(C)C(=O)CCl SBB038711 [1,0,0,0,0,0|3,0,0]=4 32 B6R0.3 COC(=O)C(C)C SBB061111 [1,0,0,0,0,0|1,0,0]=2 33 B6R0.3 COC(=O)C(C)N SBB007634 [1,0,0,0,0,0|1,0,0]=2 34 B6R0.3 COC(=O)C(F)F SBB021971 [1,0,0,0,0,0|2,0,0]=3 35 B6R0.4 CCC#CC(C)O SBB067141 [1,0,0,0,0,0|1,1,1]=4 36 B6R0.4 CCCCC(C)O SBB061290 [1,0,0,0,0,0|1,1,1]=4 37 B6R0.4 CCOCC(C)O SBB061006 [1,0,0,0,0,0|0,1,1]=3 38 B8R0.3 CCOC(=O)C(=O)CBr SBB054095 [0,1,0,0,0,0|0,1,1]=3 39 B8R0.3 CCOC(=O)C(=O)CC SBB108891 [0,1,0,0,0,0|0,1,1]=3 40 B8R0.3 CCOC(=O)C(Br)CC SBB070758 [0,1,0,0,0,0|1,0,0]=2 41 B8R0.3 CCOC(=O)C(Cl)C=O SBB054117 [0,1,0,0,0,0|1,0,1]=3 42 B8R0.3 CCOC(=O)C(N)CC SBB072718 [0,1,0,0,0,0|1,0,0]=2 43 B8R0.3 CCOC(=O)[C@@H](N)CS SBB065777 [0,1,0,0,0,0|1,0,0]=2 44 B8R0.3 CCOC(=O)\C(Cl)=N\O SBB009890 [0,1,0,0,0,0|1,1,1]=4 45 B8R0.3 CCOC(=O)\C(N)=N/O SBB085806 [0,1,0,0,0,0|1,1,1]=4 46 B8R0.8 C=C(C)C(=O)OCCF SBB085807 [0,1,0,0,0,0|1,0,1]=3 47 B8R0.8 CC(O)C(=O)NCCO SBB008212 [0,1,0,0,0,0|1,1,0]=3 48 B8R0.8 CCCCC(=O)C(C)=O SBB008584 [0,1,0,0,0,0|1,1,1]=4 49 B8R0.8 CCCCC(=O)N(C)C SBB007992 [0,1,0,0,0,0|3,0,0]=4 50 B8R0.8 CCCOC(=O)C(C)Cl SBB060963 [0,1,0,0,0,0|1,0,0]=2 51 B8R0.14 CCOC(=O)C(F)(Br)Br SBB102730 [0,1,0,0,0,0|2,0,0]=3 52 B8R0.14 CCOC(=O)C(F)(F)Br SBB093033 [0,1,0,0,0,0|2,0,0]=3 53 B8R0.14 CCOC(=O)C(F)(F)Cl SBB087321 [0,1,0,0,0,0|2,0,0]=3 54 B8R0.14 CCOC(=O)C(F)(F)F SBB008466 [0,1,0,0,0,0|2,0,0]=3 55 B8R0.14 CCOC(=O)C(F)(F)I SBB100668 [0,1,0,0,0,0|2,0,0]=3 56 B8R0.14 CCSC(=O)C(F)(F)F SBB087272 [0,1,0,0,0,0|2,1,0]=4 57 B8R0.14 CNCC(=O)C(C)(C)C SBB002868 [0,1,0,0,0,0|3,0,0]=4 58 B8R0.23 CC(C)OC(=O)[C@@H](C)N SBB070143 [0,1,0,0,0,0|1,0,0]=2 59 B8R1.5 CC1CCCCC1=O SBB058517 [0,0,0,1,0,0|2,0,0]=3 60 B8R1.5 CC1NCCNC1=O SBB080100 [0,0,0,1,0,0|2,0,0]=3 61 B8R1.5 CC1SCCNC1=O SBB111924 [0,0,0,1,0,0|1,0,0]=2 62 B8R1.5 NC1CCCNC1=O SBB012739 [0,0,0,1,0,0|2,0,0]=3 63 B8R1.5 O=C1CCCCC1Cl SBB061548 [0,0,0,1,0,0|2,0,0]=3 64 B8R1.7 CC(N)C1CCCO1 SBB020137 [0,0,0,1,0,0|2,0,1]=4 65 B8R1.18 CC1=CC(=O)C(C)O1 SBB055769 [0,0,0,1,0,0|1,1,1]=4 66 B8R1.18 CC1SC(=N)NC1=O SBB039661 [0,0,0,1,0,0|2,0,1]=4 67 B8R1.19 CC1(Br)CCOC1=O SBB057373 [0,0,0,1,0,0|1,0,0]=2 68 B8R0.5 CCCC(=O)OC(C)C SBB061106 [0,0,0,0,0,1|2,0,0]=3 69 B8R0.5 CCOC(=O)CC(=N)N SBB010259 [0,0,0,0,0,1|2,0,1]=4 70 B8R0.5 CCOC(=O)CC(=O)Cl SBB056440 [0,0,0,0,0,1|1,1,1]=4 71 B8R0.5 CCOC(=O)CC(=O)O SBB066094 [0,0,0,0,0,1|1,1,1]=4 72 B8R0.5 CCOC(=O)CC(C)=O SBB040867 [0,0,0,0,0,1|0,1,1]=3 73 B8R0.5 CCOC(=O)CC(C)C SBB061114 [0,0,0,0,0,1|1,0,0]=2 74 B8R0.5 CCOC(=O)CC(C)N SBB108871 [0,0,0,0,0,1|1,0,0]=2 75 B8R0.5 CCOC(=O)\C=C(\C)N SBB028236 [0,0,0,0,0,1|1,0,1]=3 76 B5R0.1 CCCC(=O)Cl SBB040624 [2,0,0,0,0,0|2,0,0]=4 77 B5R0.1 CCOC(=O)Cl SBB040861 [2,0,0,0,0,0|1,0,0]=3 78 B5R0.2 CCNNCC SBB069584 [2,0,0,0,0,0|2,0,0]=4 79 B5R0.2 CCOCCBr SBB008332 [2,0,0,0,0,0|1,0,1]=4 80 B5R0.2 CCOCCCl SBB061015 [2,0,0,0,0,0|1,0,1]=4 81 B5R0.2 CCOCCN SBB072161 [2,0,0,0,0,0|1,0,1]=4 82 B5R0.3 C#CC(=O)OC SBB049642 [2,0,0,0,0,0|0,0,2]=4 83 B5R0.3 CCC(=O)NN SBB021112 [2,0,0,0,0,0|2,0,0]=4 84 B5R0.3 CCC(N)CC SBB000050 [2,0,0,0,0,0|1,0,1]=4 85 B5R0.3 CCC(N)CC SBB071911 [2,0,0,0,0,0|1,0,1]=4 86 B5R0.3 CNC(=O)CBr SBB080576 [2,0,0,0,0,0|2,0,0]=4 87 B5R0.3 CNC(=O)CCl SBB049936 [2,0,0,0,0,0|2,0,0]=4 88 B5R0.3 COC(=O)CBr SBB056823 [2,0,0,0,0,0|1,0,0]=3 89 B5R0.3 COC(=O)CCl SBB040686 [2,0,0,0,0,0|1,0,0]=3 90 B5R0.3 COC(=O)NN SBB061728 [2,0,0,0,0,0|2,0,0]=4 91 B5R0.3 P(=O)(OC)OC SBB060964 [2,0,0,0,0,0|2,0,0]=4 92 B5R0.5 CC(=O)C(C)Cl SBB060958 [2,0,0,0,0,0|1,0,0]=3 93 B5R0.5 CC(=O)C(F)F SBB021370 [2,0,0,0,0,0|2,0,0]=4 94 B5R0.5 CC(Br)C(=O)O SBB060286 [2,0,0,0,0,0|1,0,0]=3 95 B5R0.5 CC(C)C(=O)Cl SBB060269 [2,0,0,0,0,0|2,0,0]=4 96 B5R0.5 CC(O)C(=O)O SBB065762 [2,0,0,0,0,0|0,1,0]=3 97 B7R0.2 CC(C)NC(=O)CBr SBB051007 [1,1,0,0,0,0|2,0,0]=4 98 B7R0.2 CC(C)NC(=O)CCl SBB016573 [1,1,0,0,0,0|2,0,0]=4 99 B7R0.2 CC(C)NC(=O)CN SBB085357 [1,1,0,0,0,0|2,0,0]=4 100 B7R0.2 CC(C)OC(=O)CCl SBB040600 [1,1,0,0,0,0|1,0,0]=3 101 B7R0.2 CC(C)OC(=O)CS SBB061230 [1,1,0,0,0,0|0,0,0]=2 102 B7R0.2 CCC(=O)OC(C)C SBB061101 [1,1,0,0,0,0|0,0,0]=2 103 B7R0.2 CC\C(C)=C\C(C)C SBB060471 [1,1,0,0,0,0|2,0,0]=4 104 B7R0.3 C=C(CC)CCCC SBB060475 [1,1,0,0,0,0|2,0,0]=4 105 B7R0.3 CCC(=O)OCCCl SBB060315 [1,1,0,0,0,0|0,0,0]=2 106 B7R0.3 CCCNC(=O)CCl SBB016586 [1,1,0,0,0,0|2,0,0]=4 107 B7R0.3 CCCOC(=O)CCl SBB060962 [1,1,0,0,0,0|1,0,0]=3 108 B7R0.3 CCCOC(=O)CS SBB061003 [1,1,0,0,0,0|0,0,0]=2 109 B7R0.3 CCOCC(=O)NN SBB080108 [1,1,0,0,0,0|2,0,0]=4 110 B7R0.3 CNCCC(=O)NC SBB046578 [1,1,0,0,0,0|2,0,0]=4 111 B7R0.3 CNCCC(=O)NC SBB080433 [1,1,0,0,0,0|2,0,0]=4 112 B7R0.3 O=C(CCl)OCCCl SBB061273 [1,1,0,0,0,0|1,0,0]=3 113 B7R0.7 C=C=CC(=O)OCC SBB054147 [1,1,0,0,0,0|0,0,2]=4 114 B7R0.7 CC#CC(=O)OCC SBB069554 [1,1,0,0,0,0|0,0,1]=3 115 B7R0.7 CCCC(=O)CCC SBB060386 [1,1,0,0,0,0|1,0,0]=3 116 B7R0.7 CCNC(=O)CC#N SBB000040 [1,1,0,0,0,0|1,0,1]=4 117 B7R0.7 CCNC(=O)NCC SBB058550 [1,1,0,0,0,0|1,0,0]=3 118 B7R0.7 CCOC(=O)CC#N SBB040821 [1,1,0,0,0,0|0,0,1]=3 119 B7R0.7 CCOC(=O)CCBr SBB070739 [1,1,0,0,0,0|0,0,0]=2 120 B7R0.7 CCOC(=O)CCN SBB004038 [1,1,0,0,0,0|0,0,0]=2 121 B7R0.7 CCOC(=O)CNN SBB021976 [1,1,0,0,0,0|1,0,0]=3 122 B7R0.7 CCOC(=O)CNN SBB054137 [1,1,0,0,0,0|1,0,0]=3 123 B7R0.7 CCOC(=O)N=C=S SBB066610 [1,1,0,0,0,0|0,0,2]=4 124 B7R0.7 CCOC(=O)OCC SBB060086 [1,1,0,0,0,0|0,0,0]=2 125 B7R0.7 CCOC(C)OCC SBB058503 [1,1,0,0,0,0|1,0,1]=4 126 B7R0.7 CCOS(=O)OCC SBB060108 [1,1,0,0,0,0|1,0,0]=3 127 B7R0.7 C\C=C\C(=O)OCC SBB061219 [1,1,0,0,0,0|0,0,1]=3 128 B7R0.7 N(C)CC(=O)OCC SBB004039 [1,1,0,0,0,0|0,0,0]=2 129 B7R0.7 P(=O)(OCC)OCC SBB056825 [1,1,0,0,0,0|1,0,0]=3 130 B7R0.10 CCC(Br)C(=O)OC SBB070737 [1,1,0,0,0,0|2,0,0]=4 131 B7R0.14 CC(C)(C)C(=O)CBr SBB006551 [1,1,0,0,0,0|2,0,0]=4 132 B7R0.14 CC(C)(C)C(=O)CCl SBB006668 [1,1,0,0,0,0|2,0,0]=4 133 B7R0.14 CNC(=O)C(C)(C)C SBB007942 [1,1,0,0,0,0|2,0,0]=4 134 B7R0.16 CC(Br)C(=O)C(C)Br SBB070869 [1,1,0,0,0,0|1,0,0]=3 135 B7R0.4 CC(Cl)COCCCl SBB056511 [1,1,0,0,0,0|1,0,1]=4 136 B7R0.4 CCCOCC(C)O SBB061007 [1,1,0,0,0,0|0,1,1]=4 137 B7R0.6 CC(O)COC(C)C SBB061008 [1,1,0,0,0,0|0,1,1]=4 138 B9R0.6 CCOC(=O)C(=O)N(C)C SBB008387 [0,1,0,0,0,1|2,0,0]=4 139 B9R0.6 CCOC(=O)C(Br)C(C)C SBB005789 [0,1,0,0,0,1|1,0,0]=3 140 B9R0.6 CCOC(=O)C(C)C(C)=O SBB060347 [0,1,0,0,0,1|0,1,1]=4 141 B9R0.6 CCOC(=O)C(Cl)C(C)=O SBB040841 [0,1,0,0,0,1|0,1,1]=4 142 B9R0.6 CCOC(=O)[C@@H](N)C(C)C SBB054134 [0,1,0,0,0,1|1,0,0]=3 143 B9R0.34 CCOC(=O)CC(=O)CCl SBB040868 [0,1,0,0,0,1|0,1,1]=4 144 B9R0.34 CCOC(=O)CC(C)NC SBB046551 [0,1,0,0,0,1|1,0,0]=3 145 B9R0.34 CCOC(=O)C[C@H](O)CCl SBB070707 [0,1,0,0,0,1|0,1,0]=3 146 B9R0.34 CCOC(=O)\C=C(\C)NC SBB080741 [0,1,0,0,0,1|1,0,1]=4 147 B9R0.34 N(C(=O)CCl)C(=O)OCC SBB003907 [0,1,0,0,0,1|0,1,1]=4 148 B9R0.44 CCOC(=O)CC(C)(C)C SBB116857 [0,1,0,0,0,1|1,0,0]=3 149 B9R0.44 CCOC(=O)CC(F)(F)F SBB087112 [0,1,0,0,0,1|2,0,0]=4 150 B9R0.44 CCOC(=O)CS(C)(=O)=O SBB059048 [0,1,0,0,0,1|1,1,0]=4 151 B9R0.53 CC(=O)CC(=O)OC(C)C SBB061713 [0,1,0,0,0,1|0,1,1]=4 152 B9R0.19 CCOC(=O)C(C)(C)C#N SBB050264 [0,2,0,0,0,0|1,0,0]=3 153 B9R0.19 CCOC(=O)C(C)(C)CCl SBB087854 [0,2,0,0,0,0|1,0,0]=3 154 B9R0.35 CCCC(=O)C(O)CCC SBB008396 [0,2,0,0,0,0|1,1,0]=4 155 B9R0.35 CCOC(=O)C(=O)OCC SBB040948 [0,2,0,0,0,0|0,1,1]=4 156 B9R0.35 CCOC(=O)C(C)N=C=O SBB048880 [0,2,0,0,0,0|0,1,0]=3 157 B9R0.35 CCOC(=O)C(C)N=C=S SBB050954 [0,2,0,0,0,0|0,0,1]=3 158 B9R0.3 CCCOC(=O)C(C)(Cl)Cl SBB056564 [0,2,0,0,0,0|1,0,0]=3 159 B9R0.3 CCCOC(=O)C(Cl)(Cl)Cl SBB061234 [0,2,0,0,0,0|2,0,0]=4 160 B9R0.7 CC(C)COC(=O)C(C)C SBB061112 [0,2,0,0,0,0|1,0,0]=3 161 B9R0.7 CC(C)COC(=O)C(C)Cl SBB061232 [0,2,0,0,0,0|1,0,0]=3 162 B9R0.7 CC(C)COC(=O)C(C)O SBB061172 [0,2,0,0,0,0|0,1,0]=3 163 B9R0.7 CC(S)C(=O)NCC(=O)O SBB057668 [0,2,0,0,0,0|1,0,1]=4 164 B9R0.47 CCCCOC(=O)C(C)Cl SBB056574 [0,2,0,0,0,0|1,0,0]=3 165 B9R0.47 CCCCOC(=O)C(C)O SBB061171 [0,2,0,0,0,0|0,1,0]=3 166 B9R0.47 CCCCOC(=O)C(F)Cl SBB088217 [0,2,0,0,0,0|2,0,0]=4 167 B9R0.47 CCCCOC(=O)C(F)F SBB086822 [0,2,0,0,0,0|2,0,0]=4 168 B9R0.10 CC(C)OC(=O)C(F)(F)F SBB087113 [0,2,0,0,0,0|2,0,0]=4 169 B7R1.2 O=C1CCC(=O)O1 SBB040819 [1,0,0,1,0,0|1,0,1]=4 170 B7R1.3 O=C1C=CCCC1 SBB008209 [1,0,0,1,0,0|1,0,1]=4 171 B7R1.3 O=C1CCCCC1 SBB060074 [1,0,0,1,0,0|1,0,0]=3 172 B7R1.3 O=C1CCCCO1 SBB060349 [1,0,0,1,0,0|0,0,0]=2 173 B7R1.3 O=C1CCOCC1 SBB049627 [1,0,0,1,0,0|2,0,0]=4 174 B7R1.3 O=C1CCSCC1 SBB048121 [1,0,0,1,0,0|2,0,0]=4 175 B7R1.3 O=C1CNCCN1 SBB000034 [1,0,0,1,0,0|2,0,0]=4 176 B7R1.3 OC1CCCCO1 SBB055947 [1,0,0,1,0,0|0,0,2]=4 177 B7R1.4 CN1CCCC1=O SBB060297 [1,0,0,1,0,0|2,0,0]=4 178 B7R1.4 NC1CCOC1=O SBB004366 [1,0,0,1,0,0|1,0,0]=3 179 B7R1.4 NC1CCOC1=O SBB057192 [1,0,0,1,0,0|1,0,0]=3 180 B7R1.4 NC1CCSC1=O SBB004035 [1,0,0,1,0,0|1,1,0]=4 181 B7R1.4 O=C1OCCC1Br SBB083094 [1,0,0,1,0,0|1,0,0]=3 182 B7R1.22 O=C(CBr)C1CC1 SBB051680 [1,0,0,1,0,0|2,0,0]=4 183 B9R1.34 CC1CC(=O)CC(C)O1 SBB056218 [0,0,0,1,0,1|1,1,0]=4 184 B9R1.41 CC(=O)C1CCOC1=O SBB040834 [0,0,0,1,0,1|0,1,1]=4 185 B9R1.3 CC1CCCC(C)C1=O SBB059688 [0,1,0,1,0,0|2,0,0]=4 186 B9R1.5 NC1CCCCNC1=O SBB056282 [0,1,0,1,0,0|2,0,0]=4 187 B9R1.5 N[C@H]1CSCCNC1=O SBB069999 [0,1,0,1,0,0|2,0,0]=4 188 B9R1.15 CCC1CCCOC1=O SBB061552 [0,1,0,1,0,0|1,0,0]=3 189 B9R1.15 CCC1NCCNC1=O SBB010255 [0,1,0,1,0,0|2,0,0]=4 190 B9R1.15 COC1CCCNC1=O SBB056098 [0,1,0,1,0,0|1,1,0]=4 191 B9R1.15 O=C1CCCCC1CO SBB054864 [0,1,0,1,0,0|1,1,0]=4 192 B9R1.69 CC1CN(C)CCC1=O SBB001724 [0,1,0,1,0,0|2,0,0]=4 193 B9R1.73 CCOC(=O)C1CCC1 SBB059126 [0,1,0,1,0,0|1,0,0]=3 194 B9R1.40 CC1(C)NCCNC1=O SBB010254 [0,1,0,1,0,0|2,0,0]=4 195 B9R2.39 O=C1CC2CCC1C2 SBB072159 [0,0,0,2,0,0|2,0,0]=4 196 B9R2.87 O=C(C1CC1)C2CC2 SBB059424 [0,0,0,2,0,0|2,0,0]=4 197 B9R0.48 CCCC(=O)OCC(C)C SBB061108 [0,0,0,0,0,2|2,0,0]=4 198 B9R0.48 CCOC(=O)CNC(C)=O SBB061661 [0,0,0,0,0,2|0,1,1]=4