0 B5R0.3 C#CC(=O)OC SBB049642 [0,0,0,0,0,0|3,0,1]=4 1 B5R0.3 C=C(CCl)CCl SBB061694 [0,0,0,0,0,0|3,0,0]=3 2 B5R0.3 CCC(=O)NN SBB021112 [0,0,0,0,0,0|3,0,0]=3 3 B5R0.3 CCC(C)CBr SBB007669 [0,0,0,0,0,0|3,0,1]=4 4 B5R0.3 CCC(Cl)CCl SBB060453 [0,0,0,0,0,0|3,0,1]=4 5 B5R0.3 CCC(N)CC SBB000050 [0,0,0,0,0,0|3,0,1]=4 6 B5R0.3 CCC(N)CC SBB071911 [0,0,0,0,0,0|3,0,1]=4 7 B5R0.3 CC\C(N)=N\O SBB024198 [0,0,0,0,0,0|3,0,0]=3 8 B5R0.3 CNC(=O)CBr SBB080576 [0,0,0,0,0,0|3,0,0]=3 9 B5R0.3 CNC(=O)CCl SBB049936 [0,0,0,0,0,0|3,0,0]=3 10 B5R0.3 COC(=O)CBr SBB056823 [0,0,0,0,0,0|3,0,0]=3 11 B5R0.3 COC(=O)CCl SBB040686 [0,0,0,0,0,0|3,0,0]=3 12 B5R0.3 COC(=O)NN SBB061728 [0,0,0,0,0,0|4,0,0]=4 13 B5R0.3 ClCC(Cl)CCl SBB060982 [0,0,0,0,0,0|3,0,1]=4 14 B5R0.3 NNC(=O)CO SBB111858 [0,0,0,0,0,0|2,0,0]=2 15 B5R0.3 OC(CCl)CCl SBB060190 [0,0,0,0,0,0|2,0,2]=4 16 B5R0.3 OCC(O)CCl SBB060480 [0,0,0,0,0,0|1,0,2]=3 17 B4R0.1 C=C(Br)CBr SBB061691 [1,0,0,0,0,0|2,0,1]=4 18 B4R0.1 CC(Br)CBr SBB060202 [1,0,0,0,0,0|2,0,1]=4 19 B4R0.1 CC(Br)CCl SBB061477 [1,0,0,0,0,0|2,0,1]=4 20 B4R0.1 CC(C)CBr SBB059932 [1,0,0,0,0,0|2,0,1]=4 21 B4R0.1 CC(Cl)CCl SBB059979 [1,0,0,0,0,0|2,0,1]=4 22 B4R0.1 CCC(C)Br SBB059931 [1,0,0,0,0,0|2,0,1]=4 23 B4R0.1 CCN(C)N SBB107453 [1,0,0,0,0,0|3,0,0]=4 24 B4R0.1 N=C(N)CCl SBB056491 [1,0,0,0,0,0|3,0,0]=4 25 B4R0.1 NCC(=O)O SBB071447 [1,0,0,0,0,0|1,0,0]=2 26 B4R0.1 NCC(=O)[O-] SBB116671 [1,0,0,0,0,0|1,0,1]=3 27 B4R0.1 O=C(Br)CBr SBB040828 [1,0,0,0,0,0|2,0,0]=3 28 B4R0.1 O=C(Cl)CBr SBB051682 [1,0,0,0,0,0|2,0,0]=3 29 B4R0.1 O=C(Cl)CCl SBB040859 [1,0,0,0,0,0|2,0,0]=3 30 B4R0.1 O=C(O)CBr SBB053569 [1,0,0,0,0,0|1,0,0]=2 31 B4R0.1 OCC(F)F SBB021966 [1,0,0,0,0,0|2,0,1]=4 32 B4R0.1 [NH3+]NC(N)=O SBB060865 [1,0,0,0,0,0|3,0,0]=4 33 B4R0.2 BrCCCBr SBB060203 [1,0,0,0,0,0|2,0,1]=4 34 B4R0.2 CCCCBr SBB059930 [1,0,0,0,0,0|2,0,1]=4 35 B4R0.2 C\C=C\CC SBB059879 [1,0,0,0,0,0|2,0,1]=4 36 B4R0.2 ClCCCBr SBB058669 [1,0,0,0,0,0|2,0,1]=4 37 B4R0.2 ClCCCCl SBB040918 [1,0,0,0,0,0|2,0,1]=4 38 B4R0.2 Cl\C=C/CCl SBB061393 [1,0,0,0,0,0|2,0,1]=4 39 B4R0.2 OCCCBr SBB054750 [1,0,0,0,0,0|1,0,1]=3 40 B4R0.2 [NH2+](CC)CC SBB059849 [1,0,0,0,0,0|3,0,0]=4 41 B6R0.1 C#CC(=O)OCC SBB060344 [0,1,0,0,0,0|2,0,1]=4 42 B6R0.1 C=CC(=O)OCC SBB060348 [0,1,0,0,0,0|2,0,1]=4 43 B6R0.1 CCC(O)COC SBB072708 [0,1,0,0,0,0|1,0,2]=4 44 B6R0.1 CCCC(=O)CC SBB061496 [0,1,0,0,0,0|2,0,0]=3 45 B6R0.1 CCCC(=O)NN SBB028175 [0,1,0,0,0,0|3,0,0]=4 46 B6R0.1 CCCC(=O)OC SBB061104 [0,1,0,0,0,0|3,0,0]=4 47 B6R0.1 CCCC(C)CO SBB061282 [0,1,0,0,0,0|2,0,1]=4 48 B6R0.1 CCC\C(N)=N/O SBB028173 [0,1,0,0,0,0|3,0,0]=4 49 B6R0.1 CCNC(=O)CBr SBB051008 [0,1,0,0,0,0|2,0,0]=3 50 B6R0.1 CCNC(=O)CCl SBB008200 [0,1,0,0,0,0|2,0,0]=3 51 B6R0.1 CCNC(C)CO SBB046531 [0,1,0,0,0,0|2,0,1]=4 52 B6R0.1 CCOC(=O)CBr SBB060995 [0,1,0,0,0,0|2,0,0]=3 53 B6R0.1 CCOC(=O)CC SBB060312 [0,1,0,0,0,0|2,0,0]=3 54 B6R0.1 CCOC(=O)NN SBB028182 [0,1,0,0,0,0|3,0,0]=4 55 B6R0.1 COC(=O)CC#N SBB059483 [0,1,0,0,0,0|3,0,0]=4 56 B6R0.1 COC(=O)CCBr SBB070709 [0,1,0,0,0,0|3,0,0]=4 57 B6R0.1 COC(=O)CCN SBB071679 [0,1,0,0,0,0|3,0,0]=4 58 B6R0.1 COCC(=O)NN SBB021113 [0,1,0,0,0,0|2,0,0]=3 59 B6R0.1 COCC(O)CN SBB051203 [0,1,0,0,0,0|1,0,2]=4 60 B6R0.1 N#CCC(=O)NN SBB028164 [0,1,0,0,0,0|3,0,0]=4 61 B6R0.1 OCNC(=O)CCl SBB004273 [0,1,0,0,0,0|1,0,0]=2 62 B6R0.1 [NH3+]CC(=O)OCC SBB056599 [0,1,0,0,0,0|2,0,0]=3 63 B6R0.3 CC(C)C(=O)NN SBB030401 [0,1,0,0,0,0|3,0,0]=4 64 B6R0.3 CC(C)\C(N)=N/O SBB028172 [0,1,0,0,0,0|3,0,0]=4 65 B6R0.3 CCC(=O)C(C)=O SBB061626 [0,1,0,0,0,0|1,0,2]=4 66 B6R0.3 CN(C)C(=O)CCl SBB038711 [0,1,0,0,0,0|3,0,0]=4 67 B6R0.3 COC(=O)C(C)C SBB061111 [0,1,0,0,0,0|3,0,0]=4 68 B6R0.3 COC(=O)C(C)N SBB007634 [0,1,0,0,0,0|3,0,0]=4 69 B6R0.3 COC(=O)C(F)F SBB021971 [0,1,0,0,0,0|3,0,0]=4 70 B6R0.3 NC(CO)C(=O)O SBB061655 [0,1,0,0,0,0|1,0,2]=4 71 B6R0.3 O=C(O)C(=O)CBr SBB053571 [0,1,0,0,0,0|1,0,1]=3 72 B6R0.3 O=C(O)C(=O)CBr SBB053584 [0,1,0,0,0,0|1,0,1]=3 73 B6R0.8 CC(C)(CN)CO SBB028181 [0,1,0,0,0,0|2,0,1]=4 74 B6R0.8 CC(C)(CO)CO SBB056814 [0,1,0,0,0,0|1,0,1]=3 75 B6R0.8 OCC(C)(CO)N SBB004360 [0,1,0,0,0,0|1,0,1]=3 76 B6R0.9 CC=C(CC)CC SBB059883 [0,1,0,0,0,0|3,0,0]=4 77 B6R0.9 CCC(C=O)CC SBB059875 [0,1,0,0,0,0|2,0,1]=4 78 B6R0.9 CCC(CC)CO SBB059900 [0,1,0,0,0,0|2,0,1]=4 79 B6R0.9 CCN(C=O)CC SBB056822 [0,1,0,0,0,0|3,0,0]=4 80 B6R1.2 O=C1CCCC1 SBB040835 [0,0,0,1,0,0|2,0,0]=3 81 B6R1.2 O=C1CCCN1 SBB060296 [0,0,0,1,0,0|3,0,0]=4 82 B6R1.2 O=C1CCNN1 SBB007977 [0,0,0,1,0,0|3,0,0]=4 83 B6R1.2 O=C1CCSC1 SBB007947 [0,0,0,1,0,0|1,1,0]=3 84 B6R1.2 O[C@H]1CCOC1 SBB062959 [0,0,0,1,0,0|1,0,2]=4 85 B6R1.7 CC1(CCl)CO1 SBB054966 [0,0,0,1,0,0|2,0,1]=4 86 B6R1.7 CC1(CO)CC1 SBB084505 [0,0,0,1,0,0|2,0,1]=4 87 B3R0.1 BrCCBr SBB040806 [2,0,0,0,0,0|2,0,0]=4 88 B3R0.1 C=CCBr SBB059929 [2,0,0,0,0,0|1,0,1]=4 89 B3R0.1 CCCBr SBB040931 [2,0,0,0,0,0|1,0,1]=4 90 B3R0.1 C\C=C\Cl SBB059896 [2,0,0,0,0,0|1,0,1]=4 91 B3R0.1 ClCCCl SBB040805 [2,0,0,0,0,0|2,0,0]=4 92 B3R0.1 NCCBr SBB005857 [2,0,0,0,0,0|2,0,0]=4 93 B3R0.1 NCCCl SBB005775 [2,0,0,0,0,0|2,0,0]=4 94 B3R0.1 OCCBr SBB058668 [2,0,0,0,0,0|1,0,0]=3 95 B3R0.1 [NH3+]CCBr SBB060242 [2,0,0,0,0,0|2,0,0]=4 96 B3R0.2 CC(C)Br SBB060452 [2,0,0,0,0,0|1,0,1]=4 97 B3R0.2 NC(N)=O SBB008449 [2,0,0,0,0,0|2,0,0]=4 98 B5R0.1 C#CCC(=O)O SBB116169 [1,1,0,0,0,0|1,0,0]=3 99 B5R0.1 CC(=O)CC#N SBB014113 [1,1,0,0,0,0|1,0,0]=3 100 B5R0.1 CC(=O)N=S=O SBB059583 [1,1,0,0,0,0|1,0,1]=4 101 B5R0.1 CC(C)=CCBr SBB061690 [1,1,0,0,0,0|2,0,0]=4 102 B5R0.1 CC(C)CCO SBB060162 [1,1,0,0,0,0|1,0,1]=4 103 B5R0.1 CCCC(=O)Cl SBB040624 [1,1,0,0,0,0|2,0,0]=4 104 B5R0.1 CCOC(=O)Cl SBB040861 [1,1,0,0,0,0|2,0,0]=4 105 B5R0.1 COCC(=O)O SBB061376 [1,1,0,0,0,0|0,0,0]=2 106 B5R0.1 CS(=O)CCN SBB050811 [1,1,0,0,0,0|2,0,0]=4 107 B5R0.1 CSCC(=O)O SBB053570 [1,1,0,0,0,0|0,1,0]=3 108 B5R0.1 C\C(Cl)=C\CN SBB301293 [1,1,0,0,0,0|2,0,0]=4 109 B5R0.1 N#CCC(N)=O SBB007540 [1,1,0,0,0,0|2,0,0]=4 110 B5R0.1 O=C(O)CCBr SBB065770 [1,1,0,0,0,0|1,0,0]=3 111 B5R0.1 O=C(O)CCCl SBB069140 [1,1,0,0,0,0|1,0,0]=3 112 B5R0.5 CC(=O)C(C)Cl SBB060958 [1,1,0,0,0,0|1,0,0]=3 113 B5R0.5 CC(=O)C(F)F SBB021370 [1,1,0,0,0,0|1,0,0]=3 114 B5R0.5 CC(Br)C(=O)O SBB060286 [1,1,0,0,0,0|1,0,0]=3 115 B5R0.5 CC(C)C(=O)Cl SBB060269 [1,1,0,0,0,0|2,0,0]=4 116 B5R0.5 CC(O)C(=O)O SBB065762 [1,1,0,0,0,0|0,0,0]=2 117 B5R0.2 BrC\C=C\CBr SBB059946 [1,1,0,0,0,0|2,0,0]=4 118 B5R0.2 CCC#CCO SBB009120 [1,1,0,0,0,0|1,0,1]=4 119 B5R0.2 CSCCCO SBB056451 [1,1,0,0,0,0|0,1,1]=4 120 B5R0.2 ClC\C=C\CCl SBB060216 [1,1,0,0,0,0|2,0,0]=4 121 B5R0.2 OCCCCCl SBB002444 [1,1,0,0,0,0|1,0,1]=4 122 B7R0.2 CC(C)NC(=O)CBr SBB051007 [0,2,0,0,0,0|2,0,0]=4 123 B7R0.2 CC(C)NC(=O)CCl SBB016573 [0,2,0,0,0,0|2,0,0]=4 124 B7R0.2 CC(C)NC(=O)CN SBB085357 [0,2,0,0,0,0|2,0,0]=4 125 B7R0.2 CC(C)OC(=O)CCl SBB040600 [0,2,0,0,0,0|2,0,0]=4 126 B7R0.2 CC(C)OC(=O)CS SBB061230 [0,2,0,0,0,0|1,1,0]=4 127 B7R0.2 CC(O)CC(=O)NN SBB072890 [0,2,0,0,0,0|2,0,0]=4 128 B7R0.2 CCC(=O)OC(C)C SBB061101 [0,2,0,0,0,0|2,0,0]=4 129 B7R0.3 C=CCNC(=O)CCl SBB085845 [0,2,0,0,0,0|2,0,0]=4 130 B7R0.3 CCC(=O)OCCCl SBB060315 [0,2,0,0,0,0|2,0,0]=4 131 B7R0.3 CCCNC(=O)CCl SBB016586 [0,2,0,0,0,0|2,0,0]=4 132 B7R0.3 CCCOC(=O)CCl SBB060962 [0,2,0,0,0,0|2,0,0]=4 133 B7R0.3 CCCOC(=O)CS SBB061003 [0,2,0,0,0,0|1,1,0]=4 134 B7R0.3 CCOCC(=O)NN SBB080108 [0,2,0,0,0,0|2,0,0]=4 135 B7R0.3 N(N)C(=O)CCOC SBB059492 [0,2,0,0,0,0|2,0,0]=4 136 B7R0.3 NNC(=O)CCCO SBB028199 [0,2,0,0,0,0|2,0,0]=4 137 B7R0.3 O=C(CCl)OCCCl SBB061273 [0,2,0,0,0,0|2,0,0]=4 138 B7R0.5 CCOC(=O)C(C)Br SBB058608 [0,2,0,0,0,0|2,0,0]=4 139 B7R0.5 CCOC(=O)C(C)C SBB060711 [0,2,0,0,0,0|2,0,0]=4 140 B7R0.5 CCOC(=O)C(C)N SBB004040 [0,2,0,0,0,0|2,0,0]=4 141 B7R0.5 CCOC(=O)C(F)Br SBB070746 [0,2,0,0,0,0|2,0,0]=4 142 B7R0.5 CCOC(=O)C(F)I SBB097841 [0,2,0,0,0,0|2,0,0]=4 143 B7R0.7 CCCC(=O)CCC SBB060386 [0,2,0,0,0,0|2,0,0]=4 144 B7R0.7 CCNC(=O)CC#N SBB000040 [0,2,0,0,0,0|2,0,0]=4 145 B7R0.7 CCNC(=O)NCC SBB058550 [0,2,0,0,0,0|2,0,0]=4 146 B7R0.7 CCOC(=O)CC#N SBB040821 [0,2,0,0,0,0|2,0,0]=4 147 B7R0.7 CCOC(=O)CCBr SBB070739 [0,2,0,0,0,0|2,0,0]=4 148 B7R0.7 CCOC(=O)CCN SBB004038 [0,2,0,0,0,0|2,0,0]=4 149 B7R0.7 CCOC(=O)CNN SBB021976 [0,2,0,0,0,0|2,0,0]=4 150 B7R0.7 CCOC(=O)CNN SBB054137 [0,2,0,0,0,0|2,0,0]=4 151 B7R0.7 CCOC(=O)OCC SBB060086 [0,2,0,0,0,0|2,0,0]=4 152 B7R0.7 N(C)CC(=O)OCC SBB004039 [0,2,0,0,0,0|2,0,0]=4 153 B7R0.7 O=C(NCO)NCO SBB071713 [0,2,0,0,0,0|0,0,0]=2 154 B7R0.10 COC(=O)C(N)CO SBB004026 [0,2,0,0,0,0|2,0,0]=4 155 B7R0.10 COC(C)C(=O)NN SBB080152 [0,2,0,0,0,0|2,0,0]=4 156 B7R0.10 OCC(Br)C(Br)CO SBB070873 [0,2,0,0,0,0|1,0,1]=4 157 B7R0.10 OC\C(Br)=C(/Br)CO SBB085184 [0,2,0,0,0,0|1,0,0]=3 158 B7R0.11 CCS(=O)(=O)CCO SBB008148 [0,2,0,0,0,0|2,0,0]=4 159 B7R0.12 CCCC(CO)CO SBB059211 [0,2,0,0,0,0|1,0,1]=4 160 B7R0.14 CC(C)(C)C(=O)CBr SBB006551 [0,2,0,0,0,0|2,0,0]=4 161 B7R0.14 CC(C)(C)C(=O)CCl SBB006668 [0,2,0,0,0,0|2,0,0]=4 162 B7R0.14 CC(C)(O)C(=O)NN SBB073233 [0,2,0,0,0,0|2,0,0]=4 163 B7R0.14 C\C(=N/O)C(C)(C)O SBB058302 [0,2,0,0,0,0|2,0,0]=4 164 B7R0.14 O=C(CBr)C(F)(F)F SBB006605 [0,2,0,0,0,0|2,0,0]=4 165 B7R0.14 O=C(CCl)C(F)(F)F SBB086510 [0,2,0,0,0,0|2,0,0]=4 166 B7R0.16 CC(Br)C(=O)C(C)Br SBB070869 [0,2,0,0,0,0|2,0,0]=4 167 B7R0.18 CC(CO)(CO)CO SBB060191 [0,2,0,0,0,0|0,0,2]=4 168 B7R0.18 NC(CO)(CO)CO SBB017546 [0,2,0,0,0,0|0,0,2]=4 169 B7R0.18 OCC(CO)(CO)N SBB006714 [0,2,0,0,0,0|0,0,2]=4 170 B5R1.3 OCC1CC1 SBB059473 [1,0,0,1,0,0|1,0,1]=4 171 B7R1.1 O=CC1CCOC1 SBB052278 [0,1,0,1,0,0|1,0,1]=4 172 B7R1.2 O=C1COC(=O)C1 SBB008561 [0,1,0,1,0,0|0,0,1]=3 173 B7R1.2 O=C1C[C@H](O)CO1 SBB055783 [0,1,0,1,0,0|2,0,0]=4 174 B7R1.3 O=C1CCCCC1 SBB060074 [0,1,0,1,0,0|2,0,0]=4 175 B7R1.3 O=C1CCCCO1 SBB060349 [0,1,0,1,0,0|2,0,0]=4 176 B7R1.3 O=C1CCOCC1 SBB049627 [0,1,0,1,0,0|1,0,0]=3 177 B7R1.3 O=C1CCSCC1 SBB048121 [0,1,0,1,0,0|1,1,0]=4 178 B7R1.3 O=C1CNCCN1 SBB000034 [0,1,0,1,0,0|2,0,0]=4 179 B7R1.4 NC1CCOC1=O SBB004366 [0,1,0,1,0,0|2,0,0]=4 180 B7R1.4 NC1CCOC1=O SBB057192 [0,1,0,1,0,0|2,0,0]=4 181 B7R1.4 NC1CCSC1=O SBB004035 [0,1,0,1,0,0|2,0,0]=4 182 B7R1.4 N[C@H]1CONC1=O SBB006706 [0,1,0,1,0,0|2,0,0]=4 183 B7R1.4 O=C1OCCC1Br SBB083094 [0,1,0,1,0,0|2,0,0]=4 184 B7R1.22 O=C(CBr)C1CC1 SBB051680 [0,1,0,1,0,0|2,0,0]=4 185 B7R1.25 CC1(CO)COC1 SBB006512 [0,1,0,1,0,0|1,0,1]=4 186 B7R1.25 CC1(CO)COC1 SBB009078 [0,1,0,1,0,0|1,0,1]=4 187 B7R1.29 OCC1(CO)CC1 SBB054861 [0,1,0,1,0,0|1,0,1]=4