0 B5R0.5 CC(=O)C(C)Cl SBB060958 [0,0,0,0,0,0|2,0,0]=2 1 B5R0.5 CC(=O)C(F)F SBB021370 [0,0,0,0,0,0|3,0,0]=3 2 B5R0.5 CC(=S)N(C)C SBB007924 [0,0,0,0,0,0|2,1,0]=3 3 B5R0.5 CC(Br)C(=O)O SBB060286 [0,0,0,0,0,0|1,0,0]=1 4 B5R0.5 CC(Br)C(Cl)Br SBB059977 [0,0,0,0,0,0|3,0,1]=4 5 B5R0.5 CC(Br)C(Cl)Cl SBB060490 [0,0,0,0,0,0|3,0,1]=4 6 B5R0.5 CC(C)C(=N)N SBB056456 [0,0,0,0,0,0|2,0,0]=2 7 B5R0.5 CC(C)C(=O)Cl SBB060269 [0,0,0,0,0,0|1,0,0]=1 8 B5R0.5 CC(O)C(=O)O SBB065762 [0,0,0,0,0,0|1,0,0]=1 9 B5R0.5 CN(C)C(=O)Cl SBB040876 [0,0,0,0,0,0|2,0,0]=2 10 B5R0.5 CN(C)C(=O)[O-] SBB059132 [0,0,0,0,0,0|1,0,1]=2 11 B5R0.5 CN(C)C(=S)Cl SBB085540 [0,0,0,0,0,0|2,1,0]=3 12 B5R0.5 CN(N)C(N)=S SBB066591 [0,0,0,0,0,0|3,1,0]=4 13 B5R0.5 [NH2+]=C(N)N(C)C SBB059825 [0,0,0,0,0,0|3,0,0]=3 14 B4R0.1 C=C(Br)CBr SBB061691 [1,0,0,0,0,0|3,0,0]=4 15 B4R0.1 CC(Br)CBr SBB060202 [1,0,0,0,0,0|2,0,1]=4 16 B4R0.1 CC(Br)CCl SBB061477 [1,0,0,0,0,0|2,0,1]=4 17 B4R0.1 CC(C)CBr SBB059932 [1,0,0,0,0,0|1,0,1]=3 18 B4R0.1 CC(C)NN SBB002129 [1,0,0,0,0,0|2,0,0]=3 19 B4R0.1 CC(Cl)CCl SBB059979 [1,0,0,0,0,0|2,0,1]=4 20 B4R0.1 CCC(C)Br SBB059931 [1,0,0,0,0,0|2,0,1]=4 21 B4R0.1 CCN(C)N SBB107453 [1,0,0,0,0,0|3,0,0]=4 22 B4R0.1 COC(=N)N SBB067236 [1,0,0,0,0,0|3,0,0]=4 23 B4R0.1 CSC(=N)N SBB080624 [1,0,0,0,0,0|3,0,0]=4 24 B4R0.1 CSC(=N)N SBB095512 [1,0,0,0,0,0|3,0,0]=4 25 B4R0.1 N=C(N)CCl SBB056491 [1,0,0,0,0,0|3,0,0]=4 26 B4R0.1 NCC(=O)O SBB071447 [1,0,0,0,0,0|1,0,0]=2 27 B4R0.1 NCC(=O)[O-] SBB116671 [1,0,0,0,0,0|1,0,1]=3 28 B4R0.1 O=C(Br)CBr SBB040828 [1,0,0,0,0,0|2,0,0]=3 29 B4R0.1 O=C(Cl)CBr SBB051682 [1,0,0,0,0,0|2,0,0]=3 30 B4R0.1 O=C(Cl)CCl SBB040859 [1,0,0,0,0,0|2,0,0]=3 31 B4R0.1 O=C(O)CBr SBB053569 [1,0,0,0,0,0|1,0,0]=2 32 B4R0.1 OCC(F)F SBB021966 [1,0,0,0,0,0|2,0,1]=4 33 B4R0.1 [NH2+]=C(N)SC SBB060409 [1,0,0,0,0,0|3,0,0]=4 34 B4R0.1 [NH3+]NC(N)=O SBB060865 [1,0,0,0,0,0|3,0,0]=4 35 B6R0.3 C#CC(O)C(C)C SBB009138 [0,1,0,0,0,0|1,0,1]=3 36 B6R0.3 C=C(C)C(=O)OC SBB060556 [0,1,0,0,0,0|0,0,2]=3 37 B6R0.3 C=CC(=O)N(C)C SBB008330 [0,1,0,0,0,0|2,0,0]=3 38 B6R0.3 CC(=O)\C(C)=N/O SBB061682 [0,1,0,0,0,0|2,0,1]=4 39 B6R0.3 CC(C)C(=O)NN SBB030401 [0,1,0,0,0,0|1,0,0]=2 40 B6R0.3 CC(C)\C(N)=N/O SBB028172 [0,1,0,0,0,0|1,0,0]=2 41 B6R0.3 CC(CN)C(=O)O SBB061656 [0,1,0,0,0,0|0,0,0]=1 42 B6R0.3 CC(CN)N(C)C SBB043927 [0,1,0,0,0,0|3,0,0]=4 43 B6R0.3 CC(CO)[N+](=O)[O-] SBB108844 [0,1,0,0,0,0|1,0,1]=3 44 B6R0.3 CCC(=O)C(C)=O SBB061626 [0,1,0,0,0,0|2,0,1]=4 45 B6R0.3 CCC(Br)C(=O)O SBB040791 [0,1,0,0,0,0|1,0,0]=2 46 B6R0.3 CCC(C)C(C)C SBB061452 [0,1,0,0,0,0|2,0,1]=4 47 B6R0.3 CCC(N)C(N)=O SBB017505 [0,1,0,0,0,0|2,0,0]=3 48 B6R0.3 CCN(C)C(=N)N SBB056493 [0,1,0,0,0,0|3,0,0]=4 49 B6R0.3 CC[C@H](N)C(=O)O SBB053588 [0,1,0,0,0,0|1,0,0]=2 50 B6R0.3 CN(C)C(=O)CCl SBB038711 [0,1,0,0,0,0|2,0,0]=3 51 B6R0.3 CN(C)C(=S)NN SBB028202 [0,1,0,0,0,0|2,1,0]=4 52 B6R0.3 CN[C@@H](C)C(=O)O SBB069105 [0,1,0,0,0,0|0,0,0]=1 53 B6R0.3 CN[C@@H](C)C(=O)O SBB069106 [0,1,0,0,0,0|0,0,0]=1 54 B6R0.3 COC(=O)C(C)C SBB061111 [0,1,0,0,0,0|0,0,0]=1 55 B6R0.3 COC(=O)C(C)N SBB007634 [0,1,0,0,0,0|1,0,0]=2 56 B6R0.3 COC(=O)C(F)F SBB021971 [0,1,0,0,0,0|2,0,0]=3 57 B6R0.3 C\C=C(\C)C(=O)O SBB071598 [0,1,0,0,0,0|0,0,1]=2 58 B6R0.3 N#CC(N)C(N)=O SBB001501 [0,1,0,0,0,0|2,0,1]=4 59 B6R0.3 NC(=O)C(N)CO SBB004161 [0,1,0,0,0,0|2,0,0]=3 60 B6R0.3 NC(CO)C(=O)O SBB061655 [0,1,0,0,0,0|1,0,0]=2 61 B6R0.3 NCC(N)C(=O)O SBB060844 [0,1,0,0,0,0|1,0,0]=2 62 B6R0.3 NC[C@H](O)C(=O)O SBB062829 [0,1,0,0,0,0|1,0,0]=2 63 B6R0.3 O=C(O)C(=O)CBr SBB053571 [0,1,0,0,0,0|1,0,1]=3 64 B6R0.3 O=C(O)C(=O)CBr SBB053584 [0,1,0,0,0,0|1,0,1]=3 65 B6R0.3 O=C(O)C(Br)CBr SBB068302 [0,1,0,0,0,0|1,0,0]=2 66 B6R0.3 O=C(O)C(O)CCl SBB072606 [0,1,0,0,0,0|1,0,0]=2 67 B6R0.3 OC(=O)[C@@H](CN)N SBB005812 [0,1,0,0,0,0|1,0,0]=2 68 B6R0.7 CC(=O)C(C)(C)C SBB060385 [0,1,0,0,0,0|1,0,0]=2 69 B6R0.7 CC(=O)C(C)(C)Cl SBB008903 [0,1,0,0,0,0|1,0,0]=2 70 B6R0.7 CC(=O)C(C)(C)N SBB013635 [0,1,0,0,0,0|1,0,0]=2 71 B6R0.7 CC(C)(Br)C(=O)O SBB065985 [0,1,0,0,0,0|0,0,0]=1 72 B6R0.7 CC(C)(C)C(=N)N SBB072322 [0,1,0,0,0,0|2,0,0]=3 73 B6R0.7 CC(C)(C)C(=O)Cl SBB060922 [0,1,0,0,0,0|1,0,0]=2 74 B6R0.7 CC(C)(C)C(N)=O SBB028170 [0,1,0,0,0,0|1,0,0]=2 75 B6R0.7 CC(C)(C)[S@](N)=O SBB056498 [0,1,0,0,0,0|2,0,0]=3 76 B6R0.7 CC(C)(N)C(=O)O SBB028178 [0,1,0,0,0,0|0,0,0]=1 77 B6R0.7 CC(C)(O)C(=O)O SBB065771 [0,1,0,0,0,0|0,0,0]=1 78 B6R0.7 CN(C)S(C)(=O)=O SBB007962 [0,1,0,0,0,0|2,0,1]=4 79 B6R0.7 NC(=O)C(F)(F)Cl SBB017538 [0,1,0,0,0,0|3,0,0]=4 80 B6R0.7 NC(C)C(C)(C)C SBB005830 [0,1,0,0,0,0|2,0,1]=4 81 B6R0.7 O=C(Br)C(F)(F)Br SBB098866 [0,1,0,0,0,0|3,0,0]=4 82 B6R0.7 O=C(Br)C(F)(F)Cl SBB091626 [0,1,0,0,0,0|3,0,0]=4 83 B6R0.7 O=C(O)C(Br)(Br)Br SBB065991 [0,1,0,0,0,0|2,0,0]=3 84 B6R1.11 CC(=O)C1CC1 SBB040825 [0,0,0,1,0,0|1,0,0]=2 85 B6R1.11 CC(N)C1CC1 SBB027096 [0,0,0,1,0,0|2,0,1]=4 86 B6R1.11 N=C(N)C1CC1 SBB028203 [0,0,0,1,0,0|2,0,0]=3 87 B6R1.11 NC(=O)C1CC1 SBB008326 [0,0,0,1,0,0|1,0,0]=2 88 B6R1.11 NC(=S)C1CC1 SBB024106 [0,0,0,1,0,0|1,1,0]=3 89 B6R1.11 O=C(Cl)C1CC1 SBB061720 [0,0,0,1,0,0|1,0,0]=2 90 B6R1.11 O=C(O)C1CC1 SBB008028 [0,0,0,1,0,0|0,0,0]=1 91 B6R0.2 C=C(C)OC(C)=O SBB056824 [0,0,0,0,0,1|1,0,2]=4 92 B6R0.2 CC(=O)C=C(C)C SBB040870 [0,0,0,0,0,1|1,0,1]=3 93 B6R0.2 CC(=O)CC(C)=O SBB009914 [0,0,0,0,0,1|2,0,1]=4 94 B6R0.2 CC(=O)CC(C)C SBB060384 [0,0,0,0,0,1|1,0,0]=2 95 B6R0.2 CC(=O)CC(N)=O SBB061675 [0,0,0,0,0,1|2,0,1]=4 96 B6R0.2 CC(=O)\C=C(\C)N SBB007945 [0,0,0,0,0,1|2,0,1]=4 97 B6R0.2 CC(=O)\C=C(\C)[O-] SBB080715 [0,0,0,0,0,1|2,0,1]=4 98 B6R0.2 CC(C)=CC(=O)O SBB065769 [0,0,0,0,0,1|0,0,1]=2 99 B6R0.2 CC(C)CB(O)O SBB062832 [0,0,0,0,0,1|1,0,1]=3 100 B6R0.2 CC(C)CC(=O)Cl SBB040623 [0,0,0,0,0,1|1,0,0]=2 101 B6R0.2 CC(C)CC(C)Br SBB007950 [0,0,0,0,0,1|2,0,1]=4 102 B6R0.2 CC(C)CC(C)O SBB061337 [0,0,0,0,0,1|1,0,1]=3 103 B6R0.2 CC(C)CC(N)=O SBB028167 [0,0,0,0,0,1|1,0,0]=2 104 B6R0.2 CC(C)NC(C)C SBB059763 [0,0,0,0,0,1|2,0,1]=4 105 B6R0.2 CC(O)CC(=O)O SBB065815 [0,0,0,0,0,1|1,0,0]=2 106 B6R0.2 CC(O)CN(C)C SBB060002 [0,0,0,0,0,1|2,0,1]=4 107 B6R0.2 CN(C)CC(=O)O SBB065779 [0,0,0,0,0,1|1,0,0]=2 108 B6R0.2 NC(=O)CC(=O)O SBB049982 [0,0,0,0,0,1|2,0,1]=4 109 B6R0.2 O=C(O)CC(=O)O SBB040552 [0,0,0,0,0,1|2,0,1]=4 110 B6R0.2 [NH+](C)(C)CC(=O)O SBB061663 [0,0,0,0,0,1|1,0,0]=2 111 B3R0.1 C=CCBr SBB059929 [2,0,0,0,0,0|2,0,0]=4 112 B3R0.1 CCCBr SBB040931 [2,0,0,0,0,0|1,0,1]=4 113 B3R0.1 C\C=C\Cl SBB059896 [2,0,0,0,0,0|1,0,1]=4 114 B3R0.1 OCCBr SBB058668 [2,0,0,0,0,0|1,0,1]=4 115 B3R0.2 CC(C)Br SBB060452 [2,0,0,0,0,0|1,0,0]=3 116 B3R0.2 NC(N)=O SBB008449 [2,0,0,0,0,0|2,0,0]=4 117 B5R0.1 C#CCC(=O)O SBB116169 [1,1,0,0,0,0|0,0,1]=3 118 B5R0.1 CC(=O)CC#N SBB014113 [1,1,0,0,0,0|1,0,1]=4 119 B5R0.1 CC(C)=CCBr SBB061690 [1,1,0,0,0,0|1,0,1]=4 120 B5R0.1 CC(C)CCBr SBB061181 [1,1,0,0,0,0|1,0,1]=4 121 B5R0.1 CC(C)CCO SBB060162 [1,1,0,0,0,0|0,0,1]=3 122 B5R0.1 CC(C)CNN SBB042741 [1,1,0,0,0,0|1,0,1]=4 123 B5R0.1 CC(C)N=C=O SBB046976 [1,1,0,0,0,0|0,0,1]=3 124 B5R0.1 CC(C)N=C=S SBB056455 [1,1,0,0,0,0|0,1,1]=4 125 B5R0.1 CC(C)SC#N SBB060088 [1,1,0,0,0,0|1,0,1]=4 126 B5R0.1 CCCC(=O)Cl SBB040624 [1,1,0,0,0,0|1,0,0]=3 127 B5R0.1 CCOC(=O)Cl SBB040861 [1,1,0,0,0,0|1,0,0]=3 128 B5R0.1 COCC(=O)O SBB061376 [1,1,0,0,0,0|0,0,0]=2 129 B5R0.1 CS(=O)CCN SBB050811 [1,1,0,0,0,0|2,0,0]=4 130 B5R0.1 CSCC(=O)O SBB053570 [1,1,0,0,0,0|0,0,0]=2 131 B5R0.1 N#CCC(N)=O SBB007540 [1,1,0,0,0,0|1,0,1]=4 132 B5R0.1 O=C(O)CCBr SBB065770 [1,1,0,0,0,0|0,0,0]=2 133 B5R0.1 O=C(O)CCCl SBB069140 [1,1,0,0,0,0|0,0,0]=2 134 B5R0.3 C#CC(=O)OC SBB049642 [1,1,0,0,0,0|0,0,2]=4 135 B5R0.3 C=CC(Cl)CCl SBB060215 [1,1,0,0,0,0|2,0,0]=4 136 B5R0.3 C=CC(O)CBr SBB007652 [1,1,0,0,0,0|2,0,0]=4 137 B5R0.3 CCC(=O)NN SBB021112 [1,1,0,0,0,0|1,0,0]=3 138 B5R0.3 CCC(C)CBr SBB007669 [1,1,0,0,0,0|1,0,1]=4 139 B5R0.3 CC\C(N)=N\O SBB024198 [1,1,0,0,0,0|1,0,0]=3 140 B5R0.3 CNC(=O)CBr SBB080576 [1,1,0,0,0,0|2,0,0]=4 141 B5R0.3 CNC(=O)CCl SBB049936 [1,1,0,0,0,0|2,0,0]=4 142 B5R0.3 COC(=O)CBr SBB056823 [1,1,0,0,0,0|1,0,0]=3 143 B5R0.3 COC(=O)CCl SBB040686 [1,1,0,0,0,0|1,0,0]=3 144 B5R0.3 COC(=O)NN SBB061728 [1,1,0,0,0,0|2,0,0]=4 145 B5R0.3 NNC(=O)CO SBB111858 [1,1,0,0,0,0|2,0,0]=4 146 B5R0.3 O=CC(Br)C=O SBB069441 [1,1,0,0,0,0|1,0,1]=4 147 B5R0.3 OCC(O)CCl SBB060480 [1,1,0,0,0,0|1,0,1]=4 148 B5R0.3 P(=O)(OC)OC SBB060964 [1,1,0,0,0,0|2,0,0]=4 149 B5R0.4 CC(C)(C)NO SBB056490 [1,1,0,0,0,0|1,0,0]=3 150 B5R0.4 CC(C)(N)C#N SBB043968 [1,1,0,0,0,0|1,0,1]=4 151 B5R0.4 CCS(=O)(=O)Cl SBB061401 [1,1,0,0,0,0|1,0,1]=4 152 B5R0.4 NNC(C)(C)C SBB005864 [1,1,0,0,0,0|2,0,0]=4 153 B7R0.2 CC(C)CC(=O)NN SBB021012 [0,1,0,0,0,1|1,0,0]=3 154 B7R0.2 CC(C)NC(=O)CBr SBB051007 [0,1,0,0,0,1|1,0,0]=3 155 B7R0.2 CC(C)NC(=O)CCl SBB016573 [0,1,0,0,0,1|1,0,0]=3 156 B7R0.2 CC(C)NC(=O)CN SBB085357 [0,1,0,0,0,1|1,0,0]=3 157 B7R0.2 CC(C)NC(=S)NN SBB017632 [0,1,0,0,0,1|1,1,0]=4 158 B7R0.2 CC(C)OC(=O)CCl SBB040600 [0,1,0,0,0,1|1,0,0]=3 159 B7R0.2 CC(C)OC(=O)CS SBB061230 [0,1,0,0,0,1|0,1,0]=3 160 B7R0.2 CC(O)CC(=O)NN SBB072890 [0,1,0,0,0,1|2,0,0]=4 161 B7R0.2 CCC(=O)OC(C)C SBB061101 [0,1,0,0,0,1|1,0,0]=3 162 B7R0.2 CCC(C)CC(=O)O SBB008180 [0,1,0,0,0,1|0,0,0]=2 163 B7R0.2 CCC(C)NC(N)=O SBB008605 [0,1,0,0,0,1|1,0,0]=3 164 B7R0.2 CC\C(C)=C\C(C)C SBB060471 [0,1,0,0,0,1|2,0,0]=4 165 B7R0.2 COC(=O)CC(C)=O SBB060889 [0,1,0,0,0,1|1,0,1]=4 166 B7R0.2 COC(=O)\C=C(\C)N SBB061677 [0,1,0,0,0,1|1,0,1]=4 167 B7R0.2 NC[C@@H](O)CC(=O)O SBB065945 [0,1,0,0,0,1|1,0,0]=3 168 B7R0.9 CC(=O)CC(C)(C)O SBB009084 [0,1,0,0,0,1|1,0,0]=3 169 B7R0.9 CC(=O)NC(C)(C)C SBB008192 [0,1,0,0,0,1|1,0,0]=3 170 B7R0.9 CC(C)(C)CC(=O)Cl SBB058618 [0,1,0,0,0,1|1,0,0]=3 171 B7R0.9 CC(C)(C)CC(=O)O SBB061347 [0,1,0,0,0,1|0,0,0]=2 172 B7R0.9 CC(C)(C)NC(N)=O SBB008606 [0,1,0,0,0,1|1,0,0]=3 173 B7R0.9 CC(C)(O)CC(=O)O SBB053604 [0,1,0,0,0,1|0,0,0]=2 174 B7R0.9 CC(C)=CC(C)(C)C SBB060469 [0,1,0,0,0,1|2,0,0]=4 175 B7R0.9 CC(O)CC(C)(C)N SBB084391 [0,1,0,0,0,1|1,0,1]=4 176 B7R0.9 CC(O)CC(C)(C)O SBB061336 [0,1,0,0,0,1|1,0,1]=4 177 B7R0.9 C[N+](C)(C)CC(=O)[O-] SBB060872 [0,1,0,0,0,1|1,0,1]=4 178 B7R0.16 CC(C(=O)O)N(C)C SBB046579 [0,1,0,0,0,1|1,0,0]=3 179 B7R0.16 CC(C)C(N)C(N)=O SBB017492 [0,1,0,0,0,1|1,0,0]=3 180 B7R0.16 CC(C)[C@@H](N)C(=O)O SBB006709 [0,1,0,0,0,1|0,0,0]=2 181 B7R0.16 CC(C)[C@@H](O)C(=O)O SBB053572 [0,1,0,0,0,1|0,0,0]=2 182 B7R0.16 CC(C)[C@H](Br)C(=O)O SBB065818 [0,1,0,0,0,1|0,0,0]=2 183 B7R0.16 CC(C)[C@H](N)C(N)=O SBB056426 [0,1,0,0,0,1|1,0,0]=3 184 B7R0.16 CC(O)C(N)C(=O)O SBB061654 [0,1,0,0,0,1|1,0,0]=3 185 B7R0.5 C=C(C)C(=O)OCC SBB061402 [0,2,0,0,0,0|0,0,2]=4 186 B7R0.5 CC(NC=O)C(=O)O SBB047145 [0,2,0,0,0,0|0,0,1]=3 187 B7R0.5 CCCC(=O)N(C)C SBB008345 [0,2,0,0,0,0|2,0,0]=4 188 B7R0.5 CCCC(Br)C(=O)O SBB065976 [0,2,0,0,0,0|1,0,0]=3 189 B7R0.5 CCCC(C)C(=O)O SBB065915 [0,2,0,0,0,0|0,0,0]=2 190 B7R0.5 CCCC(C)C(C)O SBB061491 [0,2,0,0,0,0|1,0,1]=4 191 B7R0.5 CCC[C@@H](N)C(=O)O SBB065919 [0,2,0,0,0,0|1,0,0]=3 192 B7R0.5 CCOC(=O)C(C)Br SBB058608 [0,2,0,0,0,0|1,0,0]=3 193 B7R0.5 CCOC(=O)C(C)C SBB060711 [0,2,0,0,0,0|0,0,0]=2 194 B7R0.5 CCOC(=O)C(C)N SBB004040 [0,2,0,0,0,0|1,0,0]=3 195 B7R0.5 CCOC(=O)C(F)Br SBB070746 [0,2,0,0,0,0|2,0,0]=4 196 B7R0.5 CCOC(=O)C(F)I SBB097841 [0,2,0,0,0,0|2,0,0]=4 197 B7R0.5 CC\C=C(/C)C(=O)O SBB069108 [0,2,0,0,0,0|0,0,1]=3 198 B7R0.5 CN(C)C(=O)CC#N SBB066046 [0,2,0,0,0,0|2,0,0]=4 199 B7R0.5 CN(C)C(=O)CCN SBB085472 [0,2,0,0,0,0|2,0,0]=4 200 B7R0.5 CSC[C@H](N)C(=O)O SBB066379 [0,2,0,0,0,0|1,0,0]=3 201 B7R0.5 NC(CCO)C(=O)O SBB065734 [0,2,0,0,0,0|1,0,0]=3 202 B7R0.5 NC(CCS)C(=O)O SBB065757 [0,2,0,0,0,0|1,0,0]=3 203 B7R0.5 NCCC(N)C(=O)O SBB053580 [0,2,0,0,0,0|1,0,0]=3 204 B7R0.5 NCCC(N)C(=O)O SBB066000 [0,2,0,0,0,0|1,0,0]=3 205 B7R0.5 NCCC(O)C(=O)O SBB066010 [0,2,0,0,0,0|1,0,0]=3 206 B7R0.5 NCC[C@H](N)C(=O)O SBB003640 [0,2,0,0,0,0|1,0,0]=3 207 B7R0.5 OC(=O)[C@H](CC=C)N SBB006743 [0,2,0,0,0,0|1,0,0]=3 208 B7R0.10 CCC(Br)C(=O)OC SBB070737 [0,2,0,0,0,0|1,0,0]=3 209 B7R0.10 COC(=O)C(=O)OC SBB040902 [0,2,0,0,0,0|1,0,1]=4 210 B7R0.10 COC(=O)C(Cl)C=O SBB072103 [0,2,0,0,0,0|1,0,1]=4 211 B7R0.10 COC(=O)C(N)CO SBB004026 [0,2,0,0,0,0|1,0,0]=3 212 B7R0.10 COC(=O)C(N)CS SBB054105 [0,2,0,0,0,0|1,0,0]=3 213 B7R0.10 COC(C)C(=O)NN SBB080152 [0,2,0,0,0,0|1,0,0]=3 214 B7R0.10 OC[C@H]([C@@H](C)CC)N SBB027248 [0,2,0,0,0,0|1,0,1]=4 215 B7R0.13 C#CC(C)(O)C(C)C SBB008720 [0,2,0,0,0,0|1,0,1]=4 216 B7R0.13 CC(Br)(CBr)C(=O)O SBB069110 [0,2,0,0,0,0|0,0,0]=2 217 B7R0.13 CC(C)(CO)C(=O)O SBB053589 [0,2,0,0,0,0|0,0,0]=2 218 B7R0.13 CC(Cl)(CCl)C(=O)O SBB060998 [0,2,0,0,0,0|0,0,0]=2 219 B7R0.13 CCC(C)(C)C(=O)O SBB065772 [0,2,0,0,0,0|0,0,0]=2 220 B7R0.14 CC(C)(C)C(=O)CBr SBB006551 [0,2,0,0,0,0|1,0,0]=3 221 B7R0.14 CC(C)(C)C(=O)CCl SBB006668 [0,2,0,0,0,0|1,0,0]=3 222 B7R0.14 CC(C)(C)C(=O)NN SBB017628 [0,2,0,0,0,0|1,0,0]=3 223 B7R0.14 CC(C)(O)C(=O)NN SBB073233 [0,2,0,0,0,0|1,0,0]=3 224 B7R0.14 CCC(O)C(C)(C)C SBB008540 [0,2,0,0,0,0|1,0,1]=4 225 B7R0.14 CNC(=O)C(C)(C)C SBB007942 [0,2,0,0,0,0|1,0,0]=3 226 B7R0.14 C\C(=N/O)C(C)(C)C SBB007770 [0,2,0,0,0,0|1,0,0]=3 227 B7R0.14 C\C(=N/O)C(C)(C)O SBB058302 [0,2,0,0,0,0|1,0,0]=3 228 B7R0.15 CCC(CC)C(=O)O SBB061341 [0,2,0,0,0,0|0,0,0]=2 229 B7R0.15 CCC(OC)C(N)=O SBB116762 [0,2,0,0,0,0|1,0,0]=3 230 B7R0.15 CCN(CC)C(=O)Cl SBB061734 [0,2,0,0,0,0|2,0,0]=4 231 B7R0.15 CNC(CS)C(=O)O SBB053575 [0,2,0,0,0,0|0,0,0]=2 232 B7R0.15 COC(OC)C(C)=O SBB060142 [0,2,0,0,0,0|1,0,0]=3 233 B7R0.15 O=C(O)C(CBr)CBr SBB069082 [0,2,0,0,0,0|0,0,0]=2 234 B7R0.17 CC(C)(C)C(C)(C)O SBB057393 [0,2,0,0,0,0|1,0,1]=4 235 B5R1.3 BrCC1CC1 SBB054967 [1,0,0,1,0,0|1,0,1]=4 236 B5R1.3 NCC1CC1 SBB047771 [1,0,0,1,0,0|1,0,1]=4 237 B5R1.3 OCC1CC1 SBB059473 [1,0,0,1,0,0|0,0,1]=3 238 B7R1.2 CC1CNC(=S)N1 SBB055856 [0,0,0,1,0,1|1,1,0]=4 239 B7R1.2 O=C1C=C(O)CO1 SBB056227 [0,0,0,1,0,1|1,0,1]=4 240 B7R1.2 O=C1COC(=O)C1 SBB008561 [0,0,0,1,0,1|1,0,1]=4 241 B7R1.2 O=C1C[C@H](O)CO1 SBB055783 [0,0,0,1,0,1|1,0,0]=3 242 B7R1.12 C[C@H]1C[C@H]1C(=O)O SBB069055 [0,0,0,1,0,1|0,0,0]=2 243 B7R1.20 N=C(N)NC1CC1 SBB018674 [0,0,0,1,0,1|2,0,0]=4 244 B7R1.20 O=C(O)CC1CC1 SBB005442 [0,0,0,1,0,1|0,0,0]=2 245 B7R1.4 CN1CCCC1=O SBB060297 [0,1,0,1,0,0|2,0,0]=4 246 B7R1.4 NC1CCOC1=O SBB004366 [0,1,0,1,0,0|1,0,0]=3 247 B7R1.4 NC1CCOC1=O SBB057192 [0,1,0,1,0,0|1,0,0]=3 248 B7R1.4 NC1CCSC1=O SBB004035 [0,1,0,1,0,0|1,1,0]=4 249 B7R1.4 N[C@H]1CONC1=O SBB006706 [0,1,0,1,0,0|1,0,0]=3 250 B7R1.4 O=C1OCCC1Br SBB083094 [0,1,0,1,0,0|1,0,0]=3 251 B7R1.18 NC(=O)C1CCC1 SBB111823 [0,1,0,1,0,0|1,0,0]=3 252 B7R1.18 O=C(Cl)C1CCC1 SBB007882 [0,1,0,1,0,0|1,0,0]=3 253 B7R1.18 O=C(O)C1CCC1 SBB053465 [0,1,0,1,0,0|0,0,0]=2 254 B7R1.18 O=C(O)C1CCN1 SBB053470 [0,1,0,1,0,0|0,0,0]=2 255 B7R1.18 O=C(O)C1CNC1 SBB027353 [0,1,0,1,0,0|0,0,0]=2 256 B7R1.18 O=C(O)[C@@H]1CCN1 SBB004365 [0,1,0,1,0,0|0,0,0]=2 257 B7R1.19 CC1(C(=O)Cl)CC1 SBB053677 [0,1,0,1,0,0|1,0,0]=3 258 B7R1.19 CC1(C(=O)O)CC1 SBB053429 [0,1,0,1,0,0|0,0,0]=2 259 B7R1.19 NC1(C(=O)O)CC1 SBB059531 [0,1,0,1,0,0|0,0,0]=2 260 B7R1.19 NC1(C(=O)O)CC1 SBB065741 [0,1,0,1,0,0|0,0,0]=2 261 B7R1.22 COC(=O)C1CN1 SBB054042 [0,1,0,1,0,0|1,0,0]=3 262 B7R1.22 NNC(=O)C1CC1 SBB021014 [0,1,0,1,0,0|1,0,0]=3 263 B7R1.22 N\C(=N/O)C1CC1 SBB024038 [0,1,0,1,0,0|1,0,0]=3 264 B7R1.22 O=C(CBr)C1CC1 SBB051680 [0,1,0,1,0,0|1,0,0]=3 265 B7R1.26 CC(C)(O)C1CC1 SBB059210 [0,1,0,1,0,0|1,0,1]=4 266 B7R1.26 NS(=O)(=O)C1CC1 SBB069786 [0,1,0,1,0,0|1,0,1]=4 267 B7R1.26 O=S(=O)(Cl)C1CC1 SBB066113 [0,1,0,1,0,0|1,0,1]=4 268 B7R0.6 CC(=O)CCC(=O)O SBB040561 [0,0,0,0,0,2|1,0,1]=4 269 B7R0.6 CC(=O)NCC(=O)O SBB036034 [0,0,0,0,0,2|1,0,1]=4 270 B7R0.6 CC(C)=NNC(N)=O SBB111787 [0,0,0,0,0,2|1,0,1]=4 271 B7R0.6 CC(C)CCC(=O)O SBB065829 [0,0,0,0,0,2|0,0,0]=2 272 B7R0.6 CC(C)CCC(C)O SBB061318 [0,0,0,0,0,2|1,0,1]=4 273 B7R0.6 CC(C)CNC(N)=O SBB008242 [0,0,0,0,0,2|1,0,0]=3 274 B7R0.6 CC(C)\C=C\C(=O)O SBB061966 [0,0,0,0,0,2|0,0,0]=2 275 B7R0.6 CC(O)COC(C)C SBB061008 [0,0,0,0,0,2|1,0,1]=4