0 B5R0.3 C#CC(=O)OC SBB049642 [0,0,0,0,0,0|0,0,2]=2 1 B5R0.3 C#CC(O)C=C SBB009126 [0,0,0,0,0,0|1,0,3]=4 2 B5R0.3 C=CC(Cl)CCl SBB060215 [0,0,0,0,0,0|3,0,1]=4 3 B5R0.3 C=CC(O)CBr SBB007652 [0,0,0,0,0,0|2,0,2]=4 4 B5R0.3 CCC(=O)NN SBB021112 [0,0,0,0,0,0|3,0,0]=3 5 B5R0.3 CC\C(N)=N\O SBB024198 [0,0,0,0,0,0|4,0,0]=4 6 B5R0.3 CNC(=N)NN SBB056467 [0,0,0,0,0,0|4,0,0]=4 7 B5R0.3 CNC(=O)CBr SBB080576 [0,0,0,0,0,0|2,0,1]=3 8 B5R0.3 CNC(=O)CCl SBB049936 [0,0,0,0,0,0|2,0,1]=3 9 B5R0.3 CNC(=S)NC SBB060411 [0,0,0,0,0,0|2,1,1]=4 10 B5R0.3 CNC(=S)NN SBB028184 [0,0,0,0,0,0|3,1,0]=4 11 B5R0.3 COC(=O)CBr SBB056823 [0,0,0,0,0,0|1,0,1]=2 12 B5R0.3 COC(=O)CCl SBB040686 [0,0,0,0,0,0|1,0,1]=2 13 B5R0.3 COC(=O)NN SBB061728 [0,0,0,0,0,0|2,0,0]=2 14 B5R0.3 CS\C(N)=N/N SBB098045 [0,0,0,0,0,0|3,1,0]=4 15 B5R0.3 NNC(=O)CO SBB111858 [0,0,0,0,0,0|3,0,1]=4 16 B5R0.3 P(=O)(OC)OC SBB060964 [0,0,0,0,0,0|2,0,1]=3 17 B5R0.3 [NH2+]=C(NN)SC SBB072632 [0,0,0,0,0,0|3,1,0]=4 18 B4R0.1 C=C(Br)CBr SBB061691 [1,0,0,0,0,0|3,0,0]=4 19 B4R0.1 COC(=N)N SBB067236 [1,0,0,0,0,0|2,0,0]=3 20 B4R0.1 CSC(=N)N SBB080624 [1,0,0,0,0,0|2,1,0]=4 21 B4R0.1 CSC(=N)N SBB095512 [1,0,0,0,0,0|2,1,0]=4 22 B4R0.1 NCC(=O)O SBB071447 [1,0,0,0,0,0|1,0,1]=3 23 B4R0.1 NCC(=O)[O-] SBB116671 [1,0,0,0,0,0|1,0,2]=4 24 B4R0.1 O=C(Br)CBr SBB040828 [1,0,0,0,0,0|2,0,1]=4 25 B4R0.1 O=C(Cl)CBr SBB051682 [1,0,0,0,0,0|2,0,1]=4 26 B4R0.1 O=C(Cl)CCl SBB040859 [1,0,0,0,0,0|2,0,1]=4 27 B4R0.1 O=C(O)CBr SBB053569 [1,0,0,0,0,0|1,0,1]=3 28 B4R0.1 [NH2+]=C(N)SC SBB060409 [1,0,0,0,0,0|2,1,0]=4 29 B4R0.1 [NH3+]NC(N)=O SBB060865 [1,0,0,0,0,0|3,0,0]=4 30 B4R0.2 COCCBr SBB007906 [1,0,0,0,0,0|1,0,2]=4 31 B4R0.2 C\C=C\CC SBB059879 [1,0,0,0,0,0|1,0,1]=3 32 B4R0.2 Cl\C=C/CCl SBB061393 [1,0,0,0,0,0|3,0,0]=4 33 B6R0.1 C#CC(=O)OCC SBB060344 [0,1,0,0,0,0|0,0,2]=3 34 B6R0.1 C=CC(=O)OCC SBB060348 [0,1,0,0,0,0|0,0,0]=1 35 B6R0.1 CCCC(=O)CC SBB061496 [0,1,0,0,0,0|1,0,2]=4 36 B6R0.1 CCCC(=O)NN SBB028175 [0,1,0,0,0,0|3,0,0]=4 37 B6R0.1 CCCC(=O)OC SBB061104 [0,1,0,0,0,0|0,0,2]=3 38 B6R0.1 CCNC(=O)CBr SBB051008 [0,1,0,0,0,0|2,0,1]=4 39 B6R0.1 CCNC(=O)CCl SBB008200 [0,1,0,0,0,0|2,0,1]=4 40 B6R0.1 CCOC(=O)CBr SBB060995 [0,1,0,0,0,0|1,0,1]=3 41 B6R0.1 CCOC(=O)CC SBB060312 [0,1,0,0,0,0|0,0,2]=3 42 B6R0.1 CCOC(=O)NN SBB028182 [0,1,0,0,0,0|2,0,0]=3 43 B6R0.1 COC(=O)CC#N SBB059483 [0,1,0,0,0,0|0,0,2]=3 44 B6R0.1 COC(=O)CCBr SBB070709 [0,1,0,0,0,0|0,0,2]=3 45 B6R0.1 COC(=O)CCN SBB071679 [0,1,0,0,0,0|0,0,2]=3 46 B6R0.1 COCC(=O)NN SBB021113 [0,1,0,0,0,0|2,0,0]=3 47 B6R0.1 C\C=C\C(=O)OC SBB061218 [0,1,0,0,0,0|0,0,0]=1 48 B6R0.1 OCNC(=O)CCl SBB004273 [0,1,0,0,0,0|2,0,1]=4 49 B6R0.1 [NH3+]CC(=O)OCC SBB056599 [0,1,0,0,0,0|1,0,1]=3 50 B6R0.3 C=C(C)C(=O)OC SBB060556 [0,1,0,0,0,0|0,0,0]=1 51 B6R0.3 C=CC(=O)N(C)C SBB008330 [0,1,0,0,0,0|1,0,0]=2 52 B6R0.3 CC(C)C(=O)NN SBB030401 [0,1,0,0,0,0|3,0,0]=4 53 B6R0.3 CCC(=O)C(C)=O SBB061626 [0,1,0,0,0,0|1,0,1]=3 54 B6R0.3 CN(C)C(=O)CCl SBB038711 [0,1,0,0,0,0|2,0,1]=4 55 B6R0.3 COC(=O)C(C)C SBB061111 [0,1,0,0,0,0|0,0,2]=3 56 B6R0.3 COC(=O)C(C)N SBB007634 [0,1,0,0,0,0|0,0,2]=3 57 B6R0.3 COC(=O)C(F)F SBB021971 [0,1,0,0,0,0|1,0,1]=3 58 B6R0.3 C\C=C(\C)C(=O)O SBB071598 [0,1,0,0,0,0|3,0,0]=4 59 B6R0.3 NNC(=O)C(N)=O SBB111635 [0,1,0,0,0,0|3,0,0]=4 60 B6R0.3 O=C(O)C(=O)CBr SBB053571 [0,1,0,0,0,0|3,0,0]=4 61 B6R0.3 O=C(O)C(=O)CBr SBB053584 [0,1,0,0,0,0|3,0,0]=4 62 B6R0.9 C=CC(CCl)OC SBB061093 [0,1,0,0,0,0|1,0,1]=3 63 B6R0.9 CC=C(CC)CC SBB059883 [0,1,0,0,0,0|2,0,1]=4 64 B6R1.2 BrC1=CC=CO1 SBB054415 [0,0,0,1,0,0|1,0,1]=3 65 B6R1.2 BrC1=CC=CS1 SBB003931 [0,0,0,1,0,0|1,1,1]=4 66 B6R1.2 BrC1=CC=NN1 SBB062821 [0,0,0,1,0,0|3,0,0]=4 67 B6R1.2 BrC1=CC=NS1 SBB027176 [0,0,0,1,0,0|2,1,0]=4 68 B6R1.2 BrC1=COC=C1 SBB004098 [0,0,0,1,0,0|3,0,0]=4 69 B6R1.2 BrC1=CSC=C1 SBB003930 [0,0,0,1,0,0|3,0,0]=4 70 B6R1.2 CC1=NNC=C1 SBB004404 [0,0,0,1,0,0|3,0,0]=4 71 B6R1.2 FC1=CC=CS1 SBB073288 [0,0,0,1,0,0|1,1,1]=4 72 B6R1.2 IC1=CC=CS1 SBB054409 [0,0,0,1,0,0|1,1,1]=4 73 B6R1.2 N1C=CC(I)=N1 SBB091657 [0,0,0,1,0,0|3,0,0]=4 74 B6R1.2 NC1=NC=CO1 SBB019333 [0,0,0,1,0,0|2,0,1]=4 75 B6R1.2 NC1=NNC=C1 SBB004401 [0,0,0,1,0,0|3,0,0]=4 76 B6R1.2 NC1=NOC=C1 SBB051928 [0,0,0,1,0,0|3,0,0]=4 77 B6R1.2 O=C1C=CCO1 SBB040281 [0,0,0,1,0,0|0,0,0]=1 78 B6R1.2 O=C1CCCC1 SBB040835 [0,0,0,1,0,0|1,0,2]=4 79 B6R1.2 O=C1CCCN1 SBB060296 [0,0,0,1,0,0|1,0,2]=4 80 B6R1.2 O=C1CCNN1 SBB007977 [0,0,0,1,0,0|3,0,0]=4 81 B6R1.2 O=C1CCSC1 SBB007947 [0,0,0,1,0,0|2,0,1]=4 82 B6R1.2 O=C1NC=CN1 SBB071638 [0,0,0,1,0,0|2,0,1]=4 83 B6R1.2 O=C1NC=NN1 SBB116064 [0,0,0,1,0,0|3,0,0]=4 84 B6R1.2 SC1=CC=CS1 SBB059094 [0,0,0,1,0,0|0,2,1]=4 85 B3R0.1 C=CCBr SBB059929 [2,0,0,0,0,0|1,0,1]=4 86 B3R0.1 C\C=C\Cl SBB059896 [2,0,0,0,0,0|1,0,0]=3 87 B3R0.2 NC(N)=O SBB008449 [2,0,0,0,0,0|2,0,0]=4 88 B5R0.1 C#CCC(=O)O SBB116169 [1,1,0,0,0,0|0,0,2]=4 89 B5R0.1 CC(=O)CC#N SBB014113 [1,1,0,0,0,0|0,0,2]=4 90 B5R0.1 CC(=O)N=S=O SBB059583 [1,1,0,0,0,0|2,0,0]=4 91 B5R0.1 CC(C)=CCBr SBB061690 [1,1,0,0,0,0|1,0,1]=4 92 B5R0.1 CCCC(=O)Cl SBB040624 [1,1,0,0,0,0|2,0,0]=4 93 B5R0.1 CCOC(=O)Cl SBB040861 [1,1,0,0,0,0|1,0,0]=3 94 B5R0.1 COCC(=O)O SBB061376 [1,1,0,0,0,0|1,0,0]=3 95 B5R0.1 CSCC(=O)O SBB053570 [1,1,0,0,0,0|0,0,2]=4 96 B5R0.1 C\C(Cl)=C\CN SBB301293 [1,1,0,0,0,0|1,0,1]=4 97 B5R0.1 C\C(N)=C\C#N SBB002655 [1,1,0,0,0,0|1,0,1]=4 98 B5R0.1 O=C(O)CCBr SBB065770 [1,1,0,0,0,0|0,0,2]=4 99 B5R0.1 O=C(O)CCCl SBB069140 [1,1,0,0,0,0|0,0,2]=4 100 B5R0.4 COS(C)(=O)=O SBB058203 [1,1,0,0,0,0|1,0,1]=4 101 B5R0.5 CC(=O)C(C)Cl SBB060958 [1,1,0,0,0,0|0,0,2]=4 102 B5R0.5 CC(=O)C(F)F SBB021370 [1,1,0,0,0,0|1,0,1]=4 103 B5R0.5 CC(Br)C(=O)O SBB060286 [1,1,0,0,0,0|0,0,2]=4 104 B5R0.5 CC(C)C(=O)Cl SBB060269 [1,1,0,0,0,0|2,0,0]=4 105 B5R0.5 CC(O)C(=O)O SBB065762 [1,1,0,0,0,0|0,0,2]=4 106 B5R0.5 CN(C)C(=O)Cl SBB040876 [1,1,0,0,0,0|2,0,0]=4 107 B5R0.5 CN(C)C(=O)[O-] SBB059132 [1,1,0,0,0,0|2,0,0]=4 108 B5R0.2 C=COCCCl SBB061485 [1,1,0,0,0,0|2,0,0]=4 109 B5R0.2 C=COCCN SBB072719 [1,1,0,0,0,0|2,0,0]=4 110 B7R0.2 CC(C)OC(=O)CCl SBB040600 [0,2,0,0,0,0|1,0,1]=4 111 B7R0.2 CC(C)OC(=O)CS SBB061230 [0,2,0,0,0,0|1,0,1]=4 112 B7R0.2 CCC(=O)OC(C)C SBB061101 [0,2,0,0,0,0|0,0,2]=4 113 B7R0.2 COC(=O)CC(C)=O SBB060889 [0,2,0,0,0,0|0,0,1]=3 114 B7R0.2 COC(=O)C[N+](=O)[O-] SBB001681 [0,2,0,0,0,0|1,0,1]=4 115 B7R0.2 COC(=O)\C=C(\C)N SBB061677 [0,2,0,0,0,0|0,0,0]=2 116 B7R0.3 C#CCOC(=O)C=C SBB008981 [0,2,0,0,0,0|0,0,0]=2 117 B7R0.3 C=CCNC(=O)CCl SBB085845 [0,2,0,0,0,0|2,0,0]=4 118 B7R0.3 CCC(=O)OCCCl SBB060315 [0,2,0,0,0,0|0,0,2]=4 119 B7R0.3 CCCOC(=O)CCl SBB060962 [0,2,0,0,0,0|1,0,1]=4 120 B7R0.3 CCCOC(=O)CS SBB061003 [0,2,0,0,0,0|1,0,1]=4 121 B7R0.3 CCOCC(=O)NN SBB080108 [0,2,0,0,0,0|2,0,0]=4 122 B7R0.3 COC(=O)\C=C\CBr SBB070730 [0,2,0,0,0,0|0,0,0]=2 123 B7R0.3 N(N)C(=O)CCOC SBB059492 [0,2,0,0,0,0|2,0,0]=4 124 B7R0.3 O=C(CCl)OCCCl SBB061273 [0,2,0,0,0,0|1,0,1]=4 125 B7R0.5 C=C(C)C(=O)OCC SBB061402 [0,2,0,0,0,0|0,0,0]=2 126 B7R0.5 CCOC(=O)C(C)Br SBB058608 [0,2,0,0,0,0|0,0,2]=4 127 B7R0.5 CCOC(=O)C(C)C SBB060711 [0,2,0,0,0,0|0,0,2]=4 128 B7R0.5 CCOC(=O)C(C)N SBB004040 [0,2,0,0,0,0|0,0,2]=4 129 B7R0.5 CCOC(=O)C(F)Br SBB070746 [0,2,0,0,0,0|1,0,1]=4 130 B7R0.5 CCOC(=O)C(F)I SBB097841 [0,2,0,0,0,0|1,0,1]=4 131 B7R0.5 CCOC(=O)C(N)=S SBB056420 [0,2,0,0,0,0|1,0,0]=3 132 B7R0.5 CCOC(F)=C(F)F SBB085623 [0,2,0,0,0,0|2,0,0]=4 133 B7R0.7 C=C=CC(=O)OCC SBB054147 [0,2,0,0,0,0|0,0,0]=2 134 B7R0.7 CC#CC(=O)OCC SBB069554 [0,2,0,0,0,0|0,0,2]=4 135 B7R0.7 CCOC(=O)CC#N SBB040821 [0,2,0,0,0,0|0,0,2]=4 136 B7R0.7 CCOC(=O)CCBr SBB070739 [0,2,0,0,0,0|0,0,2]=4 137 B7R0.7 CCOC(=O)CCN SBB004038 [0,2,0,0,0,0|0,0,2]=4 138 B7R0.7 CCOC(=O)CNN SBB021976 [0,2,0,0,0,0|1,0,1]=4 139 B7R0.7 CCOC(=O)CNN SBB054137 [0,2,0,0,0,0|1,0,1]=4 140 B7R0.7 CCOC(=O)N=C=S SBB066610 [0,2,0,0,0,0|1,0,1]=4 141 B7R0.7 CCOC(=O)OCC SBB060086 [0,2,0,0,0,0|0,0,2]=4 142 B7R0.7 C\C=C\C(=O)OCC SBB061219 [0,2,0,0,0,0|0,0,0]=2 143 B7R0.7 N(C)CC(=O)OCC SBB004039 [0,2,0,0,0,0|0,0,2]=4 144 B7R0.10 CCC(Br)C(=O)OC SBB070737 [0,2,0,0,0,0|0,0,2]=4 145 B7R0.10 CNC(=O)C(=O)NC SBB007883 [0,2,0,0,0,0|1,0,1]=4 146 B7R0.10 COC(=O)C(=O)OC SBB040902 [0,2,0,0,0,0|0,0,1]=3 147 B7R0.10 COC(=O)C(Cl)C=O SBB072103 [0,2,0,0,0,0|0,0,1]=3 148 B7R0.10 COC(=O)C(N)CO SBB004026 [0,2,0,0,0,0|0,0,2]=4 149 B7R0.10 COC(=O)C(N)CS SBB054105 [0,2,0,0,0,0|0,0,2]=4 150 B7R0.10 COC(C)C(=O)NN SBB080152 [0,2,0,0,0,0|2,0,0]=4 151 B5R1.1 C1=CNN=C1 SBB059844 [1,0,0,1,0,0|2,0,0]=4 152 B5R1.1 C1=COC=N1 SBB061419 [1,0,0,1,0,0|1,0,1]=4 153 B5R1.1 C1=CSN=C1 SBB012883 [1,0,0,1,0,0|1,1,0]=4 154 B7R1.1 C(=O)C1=CSC=C1 SBB004320 [0,1,0,1,0,0|2,0,0]=4 155 B7R1.1 CSC1=CC=CS1 SBB085766 [0,1,0,1,0,0|0,2,0]=4 156 B7R1.1 CSC1=CSC=C1 SBB055747 [0,1,0,1,0,0|0,2,0]=4 157 B7R1.1 ClCC1=CC=NO1 SBB013787 [0,1,0,1,0,0|2,0,0]=4 158 B7R1.1 N#CC1=CC=CO1 SBB055776 [0,1,0,1,0,0|1,0,1]=4 159 B7R1.1 NCC1=CC=CO1 SBB004376 [0,1,0,1,0,0|1,0,1]=4 160 B7R1.1 O=CC1=CC=CN1 SBB004389 [0,1,0,1,0,0|1,0,1]=4 161 B7R1.1 O=CC1=CC=CN1 SBB004390 [0,1,0,1,0,0|1,0,1]=4 162 B7R1.1 O=CC1=CC=CO1 SBB004386 [0,1,0,1,0,0|0,0,1]=3 163 B7R1.1 O=CC1=CC=CS1 SBB004321 [0,1,0,1,0,0|0,1,1]=4 164 B7R1.1 O=CC1=CNC=C1 SBB052279 [0,1,0,1,0,0|2,0,0]=4 165 B7R1.1 O=CC1=COC=C1 SBB004385 [0,1,0,1,0,0|2,0,0]=4 166 B7R1.1 O=CC1=NC=CO1 SBB052295 [0,1,0,1,0,0|1,0,1]=4 167 B7R1.1 O=CC1=NNC=C1 SBB052310 [0,1,0,1,0,0|2,0,0]=4 168 B7R1.1 OCC1=CC=CO1 SBB004373 [0,1,0,1,0,0|0,0,2]=4 169 B7R1.1 SCC1=CC=CO1 SBB004308 [0,1,0,1,0,0|0,1,1]=4 170 B7R1.2 CC1=CC(=O)NO1 SBB055813 [0,1,0,1,0,0|2,0,0]=4 171 B7R1.2 CC1=CC(C)=NO1 SBB042637 [0,1,0,1,0,0|2,0,0]=4 172 B7R1.2 CC1=CC(N)=NO1 SBB005553 [0,1,0,1,0,0|2,0,0]=4 173 B7R1.2 CC1=CC=C(C)N1 SBB059455 [0,1,0,1,0,0|2,0,0]=4 174 B7R1.2 CC1=CC=C(Cl)S1 SBB054408 [0,1,0,1,0,0|1,1,0]=4 175 B7R1.2 CC1=NN(C)C=C1 SBB015024 [0,1,0,1,0,0|2,0,0]=4 176 B7R1.2 CC1=NOC(N)=C1 SBB006539 [0,1,0,1,0,0|2,0,0]=4 177 B7R1.2 CN1C=CC(Br)=N1 SBB051488 [0,1,0,1,0,0|2,0,0]=4 178 B7R1.2 CN1C=CC(I)=N1 SBB093951 [0,1,0,1,0,0|2,0,0]=4 179 B7R1.2 CN1C=CC(N)=N1 SBB019460 [0,1,0,1,0,0|2,0,0]=4 180 B7R1.2 NC1=CC(=O)NO1 SBB303237 [0,1,0,1,0,0|2,0,0]=4 181 B7R1.2 O=C1C=C(O)CO1 SBB056227 [0,1,0,1,0,0|0,0,0]=2 182 B7R1.2 O=C1C=CC(=O)O1 SBB060268 [0,1,0,1,0,0|0,0,1]=3 183 B7R1.2 O=C1CCC(=O)N1 SBB040866 [0,1,0,1,0,0|2,0,0]=4 184 B7R1.2 O=C1CCC(=O)O1 SBB040819 [0,1,0,1,0,0|2,0,0]=4 185 B7R1.2 O=C1COC(=O)C1 SBB008561 [0,1,0,1,0,0|0,0,1]=3 186 B7R1.2 O=C1CSC(=O)N1 SBB000047 [0,1,0,1,0,0|1,1,0]=4 187 B7R1.2 O=C1C[C@H](O)CO1 SBB055783 [0,1,0,1,0,0|0,0,2]=4 188 B7R1.2 O=C1NCC(=S)N1 SBB076199 [0,1,0,1,0,0|2,0,0]=4 189 B7R1.3 O=C1C=CC=NN1 SBB005360 [0,1,0,1,0,0|1,0,1]=4 190 B7R1.3 O=C1C=CCCC1 SBB008209 [0,1,0,1,0,0|1,0,0]=3 191 B7R1.3 O=C1C=CNC=C1 SBB005800 [0,1,0,1,0,0|1,0,1]=4 192 B7R1.3 O=C1CCCCO1 SBB060349 [0,1,0,1,0,0|0,0,2]=4 193 B7R1.3 O=C1N=CC=CN1 SBB004216 [0,1,0,1,0,0|1,0,1]=4 194 B7R1.4 CC1=C(Br)SC=C1 SBB089226 [0,1,0,1,0,0|2,0,0]=4 195 B7R1.4 CC1=CC=NN1C SBB020344 [0,1,0,1,0,0|2,0,0]=4 196 B7R1.4 CC1=NC=CN1C SBB040829 [0,1,0,1,0,0|2,0,0]=4 197 B7R1.4 CN1C=CN=C1Br SBB054456 [0,1,0,1,0,0|2,0,0]=4 198 B7R1.4 CN1C=CN=C1I SBB093949 [0,1,0,1,0,0|2,0,0]=4 199 B7R1.4 CN1C=CN=C1S SBB041060 [0,1,0,1,0,0|1,1,0]=4 200 B7R1.4 CN1C=NC=C1Cl SBB004296 [0,1,0,1,0,0|2,0,0]=4 201 B7R1.4 CN1N=CC=C1Br SBB116410 [0,1,0,1,0,0|2,0,0]=4 202 B7R1.4 CN1N=CC=C1I SBB093950 [0,1,0,1,0,0|2,0,0]=4 203 B7R1.4 CN1N=CC=C1N SBB023971 [0,1,0,1,0,0|2,0,0]=4 204 B7R1.4 NC1CCOC1=O SBB004366 [0,1,0,1,0,0|0,0,2]=4 205 B7R1.4 NC1CCOC1=O SBB057192 [0,1,0,1,0,0|0,0,2]=4 206 B7R1.4 N[C@H]1CONC1=O SBB006706 [0,1,0,1,0,0|1,0,1]=4 207 B7R1.4 O=C1OCCC1Br SBB083094 [0,1,0,1,0,0|0,0,2]=4 208 B7R1.22 COC(=O)C1CN1 SBB054042 [0,1,0,1,0,0|0,0,2]=4 209 B7R1.14 O=S1(=O)C=CCC1 SBB014528 [0,1,0,1,0,0|2,0,0]=4