0 B5R0.1 C#CCC(=O)O SBB116169 [0,0,0,0,0,0|2,0,1]=3 1 B5R0.1 CC(=O)CC#N SBB014113 [0,0,0,0,0,0|2,0,0]=2 2 B5R0.1 CC(=O)N=S=O SBB059583 [0,0,0,0,0,0|2,0,1]=3 3 B5R0.1 CC(C)=CCBr SBB061690 [0,0,0,0,0,0|3,0,1]=4 4 B5R0.1 CC(C)CCBr SBB061181 [0,0,0,0,0,0|3,0,1]=4 5 B5R0.1 CC(C)CCO SBB060162 [0,0,0,0,0,0|3,0,1]=4 6 B5R0.1 CC(C)CNN SBB042741 [0,0,0,0,0,0|3,0,1]=4 7 B5R0.1 CCCC(=O)Cl SBB040624 [0,0,0,0,0,0|2,0,0]=2 8 B5R0.1 CCOC(=O)Cl SBB040861 [0,0,0,0,0,0|3,0,0]=3 9 B5R0.1 CN(C)CCBr SBB073020 [0,0,0,0,0,0|4,0,0]=4 10 B5R0.1 CN(C)CCN SBB007533 [0,0,0,0,0,0|4,0,0]=4 11 B5R0.1 COCC(=O)O SBB061376 [0,0,0,0,0,0|1,1,0]=2 12 B5R0.1 CS(=O)CCN SBB050811 [0,0,0,0,0,0|3,0,0]=3 13 B5R0.1 CSCC(=O)O SBB053570 [0,0,0,0,0,0|1,0,0]=1 14 B5R0.1 C\C(Cl)=C\CN SBB301293 [0,0,0,0,0,0|3,0,1]=4 15 B5R0.1 C\C(N)=C\C#N SBB002655 [0,0,0,0,0,0|3,0,1]=4 16 B5R0.1 N#CCC(N)=O SBB007540 [0,0,0,0,0,0|3,0,0]=3 17 B5R0.1 N#CCC(N)=S SBB015115 [0,0,0,0,0,0|3,1,0]=4 18 B5R0.1 O=C(O)CCBr SBB065770 [0,0,0,0,0,0|3,0,0]=3 19 B5R0.1 O=C(O)CCCl SBB069140 [0,0,0,0,0,0|3,0,0]=3 20 B5R0.1 [NH+](C)(C)CCCl SBB057087 [0,0,0,0,0,0|4,0,0]=4 21 B4R0.1 C=C(Br)CBr SBB061691 [1,0,0,0,0,0|2,0,1]=4 22 B4R0.1 CC(Br)CBr SBB060202 [1,0,0,0,0,0|2,0,1]=4 23 B4R0.1 CC(Br)CCl SBB061477 [1,0,0,0,0,0|2,0,1]=4 24 B4R0.1 CC(C)CBr SBB059932 [1,0,0,0,0,0|2,0,1]=4 25 B4R0.1 CC(Cl)CCl SBB059979 [1,0,0,0,0,0|2,0,1]=4 26 B4R0.1 CCC(C)Br SBB059931 [1,0,0,0,0,0|1,0,1]=3 27 B4R0.1 CCN(C)N SBB107453 [1,0,0,0,0,0|2,0,0]=3 28 B4R0.1 COC(=N)N SBB067236 [1,0,0,0,0,0|2,1,0]=4 29 B4R0.1 CSC(=N)N SBB080624 [1,0,0,0,0,0|2,0,0]=3 30 B4R0.1 CSC(=N)N SBB095512 [1,0,0,0,0,0|2,0,0]=3 31 B4R0.1 N=C(N)CCl SBB056491 [1,0,0,0,0,0|3,0,0]=4 32 B4R0.1 NCC(=O)O SBB071447 [1,0,0,0,0,0|2,0,0]=3 33 B4R0.1 NCC(=O)[O-] SBB116671 [1,0,0,0,0,0|2,0,0]=3 34 B4R0.1 O=C(Br)CBr SBB040828 [1,0,0,0,0,0|2,0,0]=3 35 B4R0.1 O=C(Cl)CBr SBB051682 [1,0,0,0,0,0|2,0,0]=3 36 B4R0.1 O=C(Cl)CCl SBB040859 [1,0,0,0,0,0|2,0,0]=3 37 B4R0.1 O=C(O)CBr SBB053569 [1,0,0,0,0,0|2,0,0]=3 38 B4R0.1 [NH2+]=C(N)SC SBB060409 [1,0,0,0,0,0|2,0,0]=3 39 B4R0.1 [NH3+]NC(N)=O SBB060865 [1,0,0,0,0,0|3,0,0]=4 40 B4R0.2 CCCCBr SBB059930 [1,0,0,0,0,0|2,0,1]=4 41 B4R0.2 CNCC#N SBB071612 [1,0,0,0,0,0|2,0,1]=4 42 B4R0.2 CNCCI SBB071605 [1,0,0,0,0,0|2,0,1]=4 43 B4R0.2 COCCBr SBB007906 [1,0,0,0,0,0|1,1,1]=4 44 B4R0.2 C\C=C\CC SBB059879 [1,0,0,0,0,0|1,0,1]=3 45 B4R0.2 [NH2+](CC)CC SBB059849 [1,0,0,0,0,0|2,0,1]=4 46 B6R0.1 C#CC(=O)OCC SBB060344 [0,1,0,0,0,0|2,0,1]=4 47 B6R0.1 C=CC(=O)OCC SBB060348 [0,1,0,0,0,0|2,0,1]=4 48 B6R0.1 CCC(O)COC SBB072708 [0,1,0,0,0,0|0,1,2]=4 49 B6R0.1 CCCC(=O)CC SBB061496 [0,1,0,0,0,0|1,0,0]=2 50 B6R0.1 CCCC(=O)NN SBB028175 [0,1,0,0,0,0|2,0,0]=3 51 B6R0.1 CCCC(=O)OC SBB061104 [0,1,0,0,0,0|1,0,0]=2 52 B6R0.1 CCCC(C)CO SBB061282 [0,1,0,0,0,0|1,0,2]=4 53 B6R0.1 CCCC(O)CC SBB061363 [0,1,0,0,0,0|1,0,2]=4 54 B6R0.1 CCC\C(N)=N/O SBB028173 [0,1,0,0,0,0|2,0,1]=4 55 B6R0.1 CCNC(=O)CBr SBB051008 [0,1,0,0,0,0|2,0,0]=3 56 B6R0.1 CCNC(=O)CCl SBB008200 [0,1,0,0,0,0|2,0,0]=3 57 B6R0.1 CCOC(=O)CBr SBB060995 [0,1,0,0,0,0|2,0,0]=3 58 B6R0.1 CCOC(=O)CC SBB060312 [0,1,0,0,0,0|2,0,0]=3 59 B6R0.1 CCOC(=O)NN SBB028182 [0,1,0,0,0,0|3,0,0]=4 60 B6R0.1 CNCC(C)OC SBB049894 [0,1,0,0,0,0|1,0,2]=4 61 B6R0.1 COC(=O)CC#N SBB059483 [0,1,0,0,0,0|2,0,0]=3 62 B6R0.1 COC(=O)CCBr SBB070709 [0,1,0,0,0,0|2,0,0]=3 63 B6R0.1 COC(=O)CCN SBB071679 [0,1,0,0,0,0|2,0,0]=3 64 B6R0.1 COCC(=O)NN SBB021113 [0,1,0,0,0,0|1,1,0]=3 65 B6R0.1 COCC(O)CN SBB051203 [0,1,0,0,0,0|0,1,2]=4 66 B6R0.1 C\C=C\C(=O)OC SBB061218 [0,1,0,0,0,0|1,0,1]=3 67 B6R0.1 N#CCC(=O)NN SBB028164 [0,1,0,0,0,0|3,0,0]=4 68 B6R0.1 OCNC(=O)CCl SBB004273 [0,1,0,0,0,0|3,0,0]=4 69 B6R0.1 [NH3+]CC(=O)OCC SBB056599 [0,1,0,0,0,0|2,0,0]=3 70 B6R0.2 C=C(C)OC(C)=O SBB056824 [0,1,0,0,0,0|2,0,0]=3 71 B6R0.2 CC(=O)C=C(C)C SBB040870 [0,1,0,0,0,0|1,0,1]=3 72 B6R0.2 CC(=O)CC(C)=O SBB009914 [0,1,0,0,0,0|1,0,0]=2 73 B6R0.2 CC(=O)CC(C)C SBB060384 [0,1,0,0,0,0|1,0,0]=2 74 B6R0.2 CC(=O)CC(N)=O SBB061675 [0,1,0,0,0,0|2,0,0]=3 75 B6R0.2 CC(=O)\C=C(\C)N SBB007945 [0,1,0,0,0,0|1,0,1]=3 76 B6R0.2 CC(=O)\C=C(\C)[O-] SBB080715 [0,1,0,0,0,0|1,0,1]=3 77 B6R0.2 CC(C)=CC(=O)O SBB065769 [0,1,0,0,0,0|2,0,1]=4 78 B6R0.2 CC(C)CC(=O)Cl SBB040623 [0,1,0,0,0,0|2,0,0]=3 79 B6R0.2 CC(C)CC(C)Br SBB007950 [0,1,0,0,0,0|2,0,1]=4 80 B6R0.2 CC(C)CC(C)O SBB061337 [0,1,0,0,0,0|1,0,2]=4 81 B6R0.2 CC(C)CC(N)=O SBB028167 [0,1,0,0,0,0|2,0,0]=3 82 B6R0.2 CC(O)CC(=O)O SBB065815 [0,1,0,0,0,0|2,0,0]=3 83 B6R0.2 CC(O)CN(C)C SBB060002 [0,1,0,0,0,0|1,0,2]=4 84 B6R0.2 CN(C)CC(=O)O SBB065779 [0,1,0,0,0,0|2,0,0]=3 85 B6R0.2 NC(=O)CC(=O)O SBB049982 [0,1,0,0,0,0|3,0,0]=4 86 B6R0.2 NC(=O)CC(N)=O SBB044920 [0,1,0,0,0,0|3,0,0]=4 87 B6R0.2 NC(=O)C[N+](=O)[O-] SBB000037 [0,1,0,0,0,0|3,0,0]=4 88 B6R0.2 O=C(Cl)CC(=O)Cl SBB060017 [0,1,0,0,0,0|3,0,0]=4 89 B6R0.2 O=C(O)CC(=O)O SBB040552 [0,1,0,0,0,0|3,0,0]=4 90 B6R0.2 [NH+](C)(C)CC(=O)O SBB061663 [0,1,0,0,0,0|2,0,0]=3 91 B6R0.3 C=C(C)C(=O)OC SBB060556 [0,1,0,0,0,0|1,1,1]=4 92 B6R0.3 CC(=O)\C(C)=N/O SBB061682 [0,1,0,0,0,0|2,0,1]=4 93 B6R0.3 CC(CN)C(=O)O SBB061656 [0,1,0,0,0,0|3,0,0]=4 94 B6R0.3 CCC(=O)C(C)=O SBB061626 [0,1,0,0,0,0|1,0,1]=3 95 B6R0.3 CCC(Br)C(=O)O SBB040791 [0,1,0,0,0,0|2,0,0]=3 96 B6R0.3 CCC(C)C(C)C SBB061452 [0,1,0,0,0,0|2,0,1]=4 97 B6R0.3 CCC(N)C(N)=O SBB017505 [0,1,0,0,0,0|2,0,0]=3 98 B6R0.3 CC[C@H](N)C(=O)O SBB053588 [0,1,0,0,0,0|2,0,0]=3 99 B6R0.3 CN[C@@H](C)C(=O)O SBB069105 [0,1,0,0,0,0|2,0,0]=3 100 B6R0.3 CN[C@@H](C)C(=O)O SBB069106 [0,1,0,0,0,0|2,0,0]=3 101 B6R0.3 C\C=C(\C)C(=O)O SBB071598 [0,1,0,0,0,0|2,0,1]=4 102 B6R0.3 N#CC(N)C(N)=O SBB001501 [0,1,0,0,0,0|3,0,0]=4 103 B6R0.3 NC(=O)C(N)CO SBB004161 [0,1,0,0,0,0|3,0,0]=4 104 B6R0.3 NC(CO)C(=O)O SBB061655 [0,1,0,0,0,0|3,0,0]=4 105 B6R0.3 NCC(N)C(=O)O SBB060844 [0,1,0,0,0,0|3,0,0]=4 106 B6R0.3 NC[C@H](O)C(=O)O SBB062829 [0,1,0,0,0,0|3,0,0]=4 107 B6R0.3 O=C(O)C(Br)CBr SBB068302 [0,1,0,0,0,0|3,0,0]=4 108 B6R0.3 O=C(O)C(O)CCl SBB072606 [0,1,0,0,0,0|3,0,0]=4 109 B6R0.3 OC(=O)[C@@H](CN)N SBB005812 [0,1,0,0,0,0|3,0,0]=4 110 B6R0.4 C#CCCC(=O)O SBB009121 [0,1,0,0,0,0|2,0,1]=4 111 B6R0.4 C=CCCC(=O)O SBB061214 [0,1,0,0,0,0|2,0,1]=4 112 B6R0.4 C=CCCC(C)=O SBB009089 [0,1,0,0,0,0|1,0,1]=3 113 B6R0.4 CC(=O)NCCCl SBB008165 [0,1,0,0,0,0|2,0,0]=3 114 B6R0.4 CC(=O)NCCN SBB028176 [0,1,0,0,0,0|2,0,0]=3 115 B6R0.4 CC(=O)NCCO SBB007954 [0,1,0,0,0,0|2,0,0]=3 116 B6R0.4 CC(=O)OCCCl SBB058505 [0,1,0,0,0,0|2,0,0]=3 117 B6R0.4 CCC#CC(C)=O SBB009086 [0,1,0,0,0,0|1,0,1]=3 118 B6R0.4 CCCCC(=O)O SBB053585 [0,1,0,0,0,0|2,0,0]=3 119 B6R0.4 CCCCC(C)=O SBB061262 [0,1,0,0,0,0|1,0,0]=2 120 B6R0.4 CCCCC(C)O SBB061290 [0,1,0,0,0,0|1,0,2]=4 121 B6R0.4 CCCCC(N)=O SBB028169 [0,1,0,0,0,0|2,0,0]=3 122 B6R0.4 CCCCN(C)C SBB060243 [0,1,0,0,0,0|3,0,0]=4 123 B6R0.4 CCCNC(N)=O SBB028174 [0,1,0,0,0,0|2,0,0]=3 124 B6R0.4 CCCOC(C)=O SBB060305 [0,1,0,0,0,0|1,0,0]=2 125 B6R0.4 CCCOC(N)=O SBB000036 [0,1,0,0,0,0|2,0,0]=3 126 B6R0.4 CCOCC(=O)O SBB069120 [0,1,0,0,0,0|1,1,0]=3 127 B6R0.4 CCOCC(C)O SBB061006 [0,1,0,0,0,0|0,1,2]=4 128 B6R0.4 CCSCC(=O)O SBB047288 [0,1,0,0,0,0|1,0,0]=2 129 B6R0.4 CC\C=C\C(=O)O SBB061994 [0,1,0,0,0,0|2,0,1]=4 130 B6R0.4 CN(C)CCCN SBB028177 [0,1,0,0,0,0|3,0,0]=4 131 B6R0.4 CNCCC(N)=O SBB080375 [0,1,0,0,0,0|2,0,0]=3 132 B6R0.4 NCCCC(=O)O SBB028179 [0,1,0,0,0,0|2,0,0]=3 133 B6R0.4 O=C(Cl)CCCCl SBB060894 [0,1,0,0,0,0|2,0,0]=3 134 B6R0.4 O=C(O)CCCBr SBB065986 [0,1,0,0,0,0|2,0,0]=3 135 B6R0.5 CCCC(C)(C)N SBB052122 [0,1,0,0,0,0|2,0,1]=4 136 B6R0.5 CCCS(=O)(=O)Cl SBB048026 [0,1,0,0,0,0|3,0,0]=4 137 B6R0.5 CCOS(C)(=O)=O SBB058685 [0,1,0,0,0,0|3,0,0]=4 138 B6R0.5 CS(=O)(=O)CC#N SBB056473 [0,1,0,0,0,0|3,0,0]=4 139 B6R0.5 CS(=O)(=O)CCN SBB047603 [0,1,0,0,0,0|3,0,0]=4 140 B6R1.2 BrC1CCCC1 SBB040823 [0,0,0,1,0,0|2,0,1]=4 141 B6R1.2 CC1=NCCN1 SBB040067 [0,0,0,1,0,0|3,0,0]=4 142 B6R1.2 F[C@H]1CCNC1 SBB085616 [0,0,0,1,0,0|2,0,1]=4 143 B6R1.2 N1CCC(N)C1 SBB027337 [0,0,0,1,0,0|2,0,1]=4 144 B6R1.2 NC1CCCC1 SBB040467 [0,0,0,1,0,0|2,0,1]=4 145 B6R1.2 NC1CCNC1 SBB003982 [0,0,0,1,0,0|2,0,1]=4 146 B6R1.2 NN1CCCC1 SBB066760 [0,0,0,1,0,0|3,0,0]=4 147 B6R1.2 O=C1C=CCO1 SBB040281 [0,0,0,1,0,0|2,0,1]=4 148 B6R1.2 O=C1CCCC1 SBB040835 [0,0,0,1,0,0|1,0,0]=2 149 B6R1.2 O=C1CCCN1 SBB060296 [0,0,0,1,0,0|2,0,0]=3 150 B6R1.2 O=C1CCNN1 SBB007977 [0,0,0,1,0,0|2,0,0]=3 151 B6R1.2 O=C1CCSC1 SBB007947 [0,0,0,1,0,0|0,0,0]=1 152 B6R1.2 OC1=NNCC1 SBB047550 [0,0,0,1,0,0|2,0,1]=4 153 B6R1.2 OC1CCNC1 SBB056152 [0,0,0,1,0,0|1,0,2]=4 154 B6R1.2 O[C@H]1CCNC1 SBB004272 [0,0,0,1,0,0|1,0,2]=4 155 B6R1.2 O[C@H]1CCNC1 SBB027336 [0,0,0,1,0,0|1,0,2]=4 156 B6R1.2 O[C@H]1CCOC1 SBB062959 [0,0,0,1,0,0|0,1,2]=4 157 B6R1.10 CC1(N)CCC1 SBB072407 [0,0,0,1,0,0|2,0,1]=4 158 B6R1.11 CC(=O)C1CC1 SBB040825 [0,0,0,1,0,0|1,0,0]=2 159 B6R1.11 CC(N)C1CC1 SBB027096 [0,0,0,1,0,0|2,0,1]=4 160 B6R1.11 N=C(N)C1CC1 SBB028203 [0,0,0,1,0,0|3,0,0]=4 161 B6R1.11 NC(=O)C1CC1 SBB008326 [0,0,0,1,0,0|2,0,0]=3 162 B6R1.11 NC(=S)C1CC1 SBB024106 [0,0,0,1,0,0|2,1,0]=4 163 B6R1.11 O=C(Cl)C1CC1 SBB061720 [0,0,0,1,0,0|2,0,0]=3 164 B6R1.11 O=C(O)C1CC1 SBB008028 [0,0,0,1,0,0|2,0,0]=3 165 B3R0.1 C=CCBr SBB059929 [2,0,0,0,0,0|1,0,1]=4 166 B3R0.1 CCCBr SBB040931 [2,0,0,0,0,0|1,0,1]=4 167 B3R0.1 C\C=C\Cl SBB059896 [2,0,0,0,0,0|1,0,1]=4 168 B3R0.2 CC(C)Br SBB060452 [2,0,0,0,0,0|1,0,1]=4 169 B3R0.2 NC(N)=O SBB008449 [2,0,0,0,0,0|2,0,0]=4 170 B5R0.3 C#CC(=O)OC SBB049642 [1,1,0,0,0,0|0,0,2]=4 171 B5R0.3 C=C(CCl)CCl SBB061694 [1,1,0,0,0,0|2,0,0]=4 172 B5R0.3 CCC(=O)NN SBB021112 [1,1,0,0,0,0|1,0,0]=3 173 B5R0.3 CCC(C)CBr SBB007669 [1,1,0,0,0,0|1,0,1]=4 174 B5R0.3 CCC(Cl)CCl SBB060453 [1,1,0,0,0,0|1,0,1]=4 175 B5R0.3 CCC(N)CC SBB000050 [1,1,0,0,0,0|1,0,1]=4 176 B5R0.3 CCC(N)CC SBB071911 [1,1,0,0,0,0|1,0,1]=4 177 B5R0.3 CC\C(N)=N\O SBB024198 [1,1,0,0,0,0|1,0,1]=4 178 B5R0.3 CNC(=O)CBr SBB080576 [1,1,0,0,0,0|1,0,0]=3 179 B5R0.3 CNC(=O)CCl SBB049936 [1,1,0,0,0,0|1,0,0]=3 180 B5R0.3 CNC(=S)NC SBB060411 [1,1,0,0,0,0|1,1,0]=4 181 B5R0.3 COC(=O)CBr SBB056823 [1,1,0,0,0,0|0,1,0]=3 182 B5R0.3 COC(=O)CCl SBB040686 [1,1,0,0,0,0|0,1,0]=3 183 B5R0.3 COC(=O)NN SBB061728 [1,1,0,0,0,0|1,1,0]=4 184 B5R0.3 CS\C(N)=N/N SBB098045 [1,1,0,0,0,0|2,0,0]=4 185 B5R0.3 NNC(=O)CO SBB111858 [1,1,0,0,0,0|1,1,0]=4 186 B5R0.3 P(=O)(OC)OC SBB060964 [1,1,0,0,0,0|1,1,0]=4 187 B5R0.3 [NH2+]=C(NN)SC SBB072632 [1,1,0,0,0,0|2,0,0]=4 188 B5R0.4 CCS(=O)(=O)Cl SBB061401 [1,1,0,0,0,0|2,0,0]=4 189 B5R0.4 COS(C)(=O)=O SBB058203 [1,1,0,0,0,0|1,1,0]=4 190 B5R0.5 CC(=O)C(C)Cl SBB060958 [1,1,0,0,0,0|0,0,0]=2 191 B5R0.5 CC(=O)C(F)F SBB021370 [1,1,0,0,0,0|1,0,0]=3 192 B5R0.5 CC(=S)N(C)C SBB007924 [1,1,0,0,0,0|1,1,0]=4 193 B5R0.5 CC(Br)C(=O)O SBB060286 [1,1,0,0,0,0|1,0,0]=3 194 B5R0.5 CC(C)C(=N)N SBB056456 [1,1,0,0,0,0|2,0,0]=4 195 B5R0.5 CC(C)C(=O)Cl SBB060269 [1,1,0,0,0,0|1,0,0]=3 196 B5R0.5 CC(O)C(=O)O SBB065762 [1,1,0,0,0,0|1,0,0]=3 197 B5R0.5 CN(C)C(=O)Cl SBB040876 [1,1,0,0,0,0|2,0,0]=4 198 B5R0.5 CN(C)C(=O)[O-] SBB059132 [1,1,0,0,0,0|2,0,0]=4 199 B5R0.2 CCCCCBr SBB059933 [1,1,0,0,0,0|1,0,1]=4 200 B5R0.2 CCCCCCl SBB059951 [1,1,0,0,0,0|1,0,1]=4 201 B5R0.2 CCSCCN SBB017894 [1,1,0,0,0,0|1,0,1]=4 202 B5R0.2 CNCCCN SBB059823 [1,1,0,0,0,0|1,0,1]=4 203 B5R0.2 CSCCCO SBB056451 [1,1,0,0,0,0|0,0,1]=3 204 B7R0.2 CC(C)CC(=O)NN SBB021012 [0,2,0,0,0,0|2,0,0]=4 205 B7R0.2 CC(C)NC(=O)CBr SBB051007 [0,2,0,0,0,0|2,0,0]=4 206 B7R0.2 CC(C)NC(=O)CCl SBB016573 [0,2,0,0,0,0|2,0,0]=4 207 B7R0.2 CC(C)NC(=O)CN SBB085357 [0,2,0,0,0,0|2,0,0]=4 208 B7R0.2 CC(C)OC(=O)CCl SBB040600 [0,2,0,0,0,0|2,0,0]=4 209 B7R0.2 CC(C)OC(=O)CS SBB061230 [0,2,0,0,0,0|2,0,0]=4 210 B7R0.2 CC(O)CC(=O)NN SBB072890 [0,2,0,0,0,0|2,0,0]=4 211 B7R0.2 CCC(=O)OC(C)C SBB061101 [0,2,0,0,0,0|2,0,0]=4 212 B7R0.2 CCC(C)CC(=O)O SBB008180 [0,2,0,0,0,0|2,0,0]=4 213 B7R0.2 CCC(C)NC(N)=O SBB008605 [0,2,0,0,0,0|2,0,0]=4 214 B7R0.2 COC(=O)CC(C)=O SBB060889 [0,2,0,0,0,0|0,1,0]=3 215 B7R0.2 COC(=O)C[N+](=O)[O-] SBB001681 [0,2,0,0,0,0|2,0,0]=4 216 B7R0.2 COC(=O)\C=C(\C)N SBB061677 [0,2,0,0,0,0|1,0,1]=4 217 B7R0.2 NC[C@@H](O)CC(=O)O SBB065945 [0,2,0,0,0,0|2,0,0]=4 218 B7R0.3 C=C(CC)CCCC SBB060475 [0,2,0,0,0,0|2,0,0]=4 219 B7R0.3 C=CCNC(=O)CCl SBB085845 [0,2,0,0,0,0|1,0,1]=4 220 B7R0.3 CCC(=O)OCCCl SBB060315 [0,2,0,0,0,0|2,0,0]=4 221 B7R0.3 CCCCC(=O)NN SBB028196 [0,2,0,0,0,0|2,0,0]=4 222 B7R0.3 CCCNC(=O)CCl SBB016586 [0,2,0,0,0,0|1,0,0]=3 223 B7R0.3 CCCOC(=O)CCl SBB060962 [0,2,0,0,0,0|1,0,0]=3 224 B7R0.3 CCCOC(=O)CS SBB061003 [0,2,0,0,0,0|1,0,0]=3 225 B7R0.3 CCOCC(=O)NN SBB080108 [0,2,0,0,0,0|1,1,0]=4 226 B7R0.3 CNCCC(=O)NC SBB046578 [0,2,0,0,0,0|1,0,0]=3 227 B7R0.3 CNCCC(=O)NC SBB080433 [0,2,0,0,0,0|1,0,0]=3 228 B7R0.3 COC(=N)CCCCl SBB056505 [0,2,0,0,0,0|2,0,0]=4 229 B7R0.3 COC(=O)\C=C\CBr SBB070730 [0,2,0,0,0,0|1,0,1]=4 230 B7R0.3 N(N)C(=O)CCOC SBB059492 [0,2,0,0,0,0|1,1,0]=4 231 B7R0.3 NNC(=O)CCCO SBB028199 [0,2,0,0,0,0|2,0,0]=4 232 B7R0.3 O=C(CCl)OCCCl SBB061273 [0,2,0,0,0,0|2,0,0]=4 233 B7R0.3 OC[C@H](CCSC)N SBB006701 [0,2,0,0,0,0|1,0,1]=4 234 B7R0.5 C=C(C)C(=O)OCC SBB061402 [0,2,0,0,0,0|2,0,0]=4 235 B7R0.5 CCCC(=O)N(C)C SBB008345 [0,2,0,0,0,0|1,0,0]=3 236 B7R0.5 CCCC(Br)C(=O)O SBB065976 [0,2,0,0,0,0|2,0,0]=4 237 B7R0.5 CCCC(C)C(=O)O SBB065915 [0,2,0,0,0,0|1,0,1]=4 238 B7R0.5 CCC[C@@H](N)C(=O)O SBB065919 [0,2,0,0,0,0|2,0,0]=4 239 B7R0.5 CCOC(=O)C(C)Br SBB058608 [0,2,0,0,0,0|2,0,0]=4 240 B7R0.5 CCOC(=O)C(C)C SBB060711 [0,2,0,0,0,0|2,0,0]=4 241 B7R0.5 CCOC(=O)C(C)N SBB004040 [0,2,0,0,0,0|2,0,0]=4 242 B7R0.5 CCOC(=O)C(F)Br SBB070746 [0,2,0,0,0,0|2,0,0]=4 243 B7R0.5 CCOC(=O)C(F)I SBB097841 [0,2,0,0,0,0|2,0,0]=4 244 B7R0.5 CC\C=C(/C)C(=O)O SBB069108 [0,2,0,0,0,0|1,0,1]=4 245 B7R0.5 CN(C)C(=O)CC#N SBB066046 [0,2,0,0,0,0|2,0,0]=4 246 B7R0.5 CN(C)C(=O)CCN SBB085472 [0,2,0,0,0,0|2,0,0]=4 247 B7R0.5 CSC[C@H](N)C(=O)O SBB066379 [0,2,0,0,0,0|1,0,0]=3 248 B7R0.5 NC(CCO)C(=O)O SBB065734 [0,2,0,0,0,0|2,0,0]=4 249 B7R0.5 NC(CCS)C(=O)O SBB065757 [0,2,0,0,0,0|2,0,0]=4 250 B7R0.5 NCCC(N)C(=O)O SBB053580 [0,2,0,0,0,0|2,0,0]=4 251 B7R0.5 NCCC(N)C(=O)O SBB066000 [0,2,0,0,0,0|2,0,0]=4 252 B7R0.5 NCCC(O)C(=O)O SBB066010 [0,2,0,0,0,0|2,0,0]=4 253 B7R0.5 NCC[C@H](N)C(=O)O SBB003640 [0,2,0,0,0,0|2,0,0]=4 254 B7R0.7 CC#CC(=O)OCC SBB069554 [0,2,0,0,0,0|1,0,1]=4 255 B7R0.7 CCCC(=O)CCC SBB060386 [0,2,0,0,0,0|1,0,0]=3 256 B7R0.7 CCNC(=O)CC#N SBB000040 [0,2,0,0,0,0|2,0,0]=4 257 B7R0.7 CCNC(=O)NCC SBB058550 [0,2,0,0,0,0|2,0,0]=4 258 B7R0.7 CCOC(=O)CC#N SBB040821 [0,2,0,0,0,0|2,0,0]=4 259 B7R0.7 CCOC(=O)CCBr SBB070739 [0,2,0,0,0,0|2,0,0]=4 260 B7R0.7 CCOC(=O)CCN SBB004038 [0,2,0,0,0,0|2,0,0]=4 261 B7R0.7 CCOC(=O)CNN SBB021976 [0,2,0,0,0,0|2,0,0]=4 262 B7R0.7 CCOC(=O)CNN SBB054137 [0,2,0,0,0,0|2,0,0]=4 263 B7R0.7 CCOC(=O)OCC SBB060086 [0,2,0,0,0,0|2,0,0]=4 264 B7R0.7 C\C=C\C(=O)OCC SBB061219 [0,2,0,0,0,0|1,0,1]=4 265 B7R0.7 N(C)CC(=O)OCC SBB004039 [0,2,0,0,0,0|1,0,0]=3 266 B7R0.10 CCC(Br)C(=O)OC SBB070737 [0,2,0,0,0,0|1,0,0]=3 267 B7R0.10 CNC(=O)C(=O)NC SBB007883 [0,2,0,0,0,0|1,0,1]=4 268 B7R0.10 COC(=O)C(=O)OC SBB040902 [0,2,0,0,0,0|0,1,1]=4 269 B7R0.10 COC(=O)C(Cl)C=O SBB072103 [0,2,0,0,0,0|2,0,0]=4 270 B7R0.10 COC(=O)C(N)CO SBB004026 [0,2,0,0,0,0|2,0,0]=4 271 B7R0.10 COC(=O)C(N)CS SBB054105 [0,2,0,0,0,0|2,0,0]=4 272 B7R0.10 COC(C)C(=O)NN SBB080152 [0,2,0,0,0,0|1,1,0]=4 273 B7R0.9 CC(=O)CC(C)(C)O SBB009084 [0,2,0,0,0,0|1,0,0]=3 274 B7R0.9 CC(=O)NC(C)(C)C SBB008192 [0,2,0,0,0,0|2,0,0]=4 275 B7R0.9 CC(C)(C)CC(=O)Cl SBB058618 [0,2,0,0,0,0|2,0,0]=4 276 B7R0.9 CC(C)(C)CC(=O)O SBB061347 [0,2,0,0,0,0|2,0,0]=4 277 B7R0.9 CC(C)(O)CC(=O)O SBB053604 [0,2,0,0,0,0|2,0,0]=4 278 B7R0.9 C[N+](C)(C)CC(=O)[O-] SBB060872 [0,2,0,0,0,0|2,0,0]=4 279 B7R0.16 CC(=O)C(Cl)C(C)=O SBB058797 [0,2,0,0,0,0|1,0,0]=3 280 B7R0.16 CC(=O)N(C)C(C)=O SBB007865 [0,2,0,0,0,0|2,0,0]=4 281 B7R0.16 CC(C(=O)O)N(C)C SBB046579 [0,2,0,0,0,0|2,0,0]=4 282 B7R0.16 CC(C)C(N)C(N)=O SBB017492 [0,2,0,0,0,0|2,0,0]=4 283 B7R0.16 CC(C)[C@@H](N)C(=O)O SBB006709 [0,2,0,0,0,0|2,0,0]=4 284 B7R0.16 CC(C)[C@@H](O)C(=O)O SBB053572 [0,2,0,0,0,0|2,0,0]=4 285 B7R0.16 CC(C)[C@H](Br)C(=O)O SBB065818 [0,2,0,0,0,0|2,0,0]=4 286 B7R0.16 CC(C)[C@H](N)C(N)=O SBB056426 [0,2,0,0,0,0|2,0,0]=4 287 B7R0.16 CC(O)C(N)C(=O)O SBB061654 [0,2,0,0,0,0|2,0,0]=4 288 B7R0.13 CCC(C)(C)C(=O)O SBB065772 [0,2,0,0,0,0|2,0,0]=4 289 B7R0.15 CCC(CC)C(=O)O SBB061341 [0,2,0,0,0,0|2,0,0]=4 290 B7R0.15 CCC(OC)C(N)=O SBB116762 [0,2,0,0,0,0|1,1,0]=4 291 B7R0.15 CNC(CS)C(=O)O SBB053575 [0,2,0,0,0,0|2,0,0]=4 292 B7R0.15 COC(OC)C(C)=O SBB060142 [0,2,0,0,0,0|0,1,0]=3 293 B7R0.4 C#CCCCC(=O)O SBB009090 [0,2,0,0,0,0|2,0,0]=4 294 B7R0.4 CCCC#CC(=O)O SBB009091 [0,2,0,0,0,0|2,0,0]=4 295 B7R0.4 CCCCCC(=O)Cl SBB060011 [0,2,0,0,0,0|2,0,0]=4 296 B7R0.4 CCCCCC(=O)O SBB053586 [0,2,0,0,0,0|2,0,0]=4 297 B7R0.4 CCCCCC(C)=O SBB061125 [0,2,0,0,0,0|1,0,0]=3 298 B7R0.4 CCCCCC(N)=O SBB061056 [0,2,0,0,0,0|2,0,0]=4 299 B7R0.4 CCCCOC(N)=O SBB060819 [0,2,0,0,0,0|2,0,0]=4 300 B7R0.4 CCC\C=C\C(=O)O SBB009088 [0,2,0,0,0,0|2,0,0]=4 301 B7R0.4 CCOCCC(=O)O SBB053607 [0,2,0,0,0,0|1,1,0]=4 302 B7R0.4 COCCOC(C)=O SBB060999 [0,2,0,0,0,0|0,1,0]=3 303 B7R0.4 NCCCCC(=O)O SBB061559 [0,2,0,0,0,0|2,0,0]=4 304 B7R0.4 O=C(O)CCCCBr SBB061343 [0,2,0,0,0,0|2,0,0]=4 305 B7R0.4 O=C(O)CCCCCl SBB061215 [0,2,0,0,0,0|2,0,0]=4 306 B7R0.4 OC(=O)C\C=C/CC SBB006610 [0,2,0,0,0,0|2,0,0]=4 307 B7R0.6 CC(=O)CCC(=O)O SBB040561 [0,2,0,0,0,0|1,0,1]=4 308 B7R0.6 CC(=O)CCC(C)=O SBB040811 [0,2,0,0,0,0|1,0,0]=3 309 B7R0.6 CC(=O)NCC(=O)O SBB036034 [0,2,0,0,0,0|2,0,0]=4 310 B7R0.6 CC(=O)NNC(C)=O SBB067157 [0,2,0,0,0,0|2,0,0]=4 311 B7R0.6 CC(C)CCC(=O)O SBB065829 [0,2,0,0,0,0|2,0,0]=4 312 B7R0.6 CC(C)CNC(N)=O SBB008242 [0,2,0,0,0,0|2,0,0]=4 313 B7R0.8 [NH3+]CCCS(C)(=O)=O SBB088827 [0,2,0,0,0,0|2,0,0]=4 314 B5R1.1 C1CSCN1 SBB111928 [1,0,0,1,0,0|1,0,0]=3 315 B7R1.1 O=CC1CCCC1 SBB069481 [0,1,0,1,0,0|1,0,1]=4 316 B7R1.1 O=CC1CCOC1 SBB052278 [0,1,0,1,0,0|0,1,1]=4 317 B7R1.1 ON=C1CCCC1 SBB060393 [0,1,0,1,0,0|1,0,1]=4 318 B7R1.2 N1N=C(C)CC1=O SBB004372 [0,1,0,1,0,0|2,0,0]=4 319 B7R1.2 N=C1/SCC(=O)N1 SBB004297 [0,1,0,1,0,0|1,0,1]=4 320 B7R1.2 NC1=NC(=O)CS1 SBB051924 [0,1,0,1,0,0|1,0,1]=4 321 B7R1.2 O=C1CCC(=O)N1 SBB040866 [0,1,0,1,0,0|2,0,0]=4 322 B7R1.2 O=C1CCC(=O)O1 SBB040819 [0,1,0,1,0,0|2,0,0]=4 323 B7R1.2 O=C1COC(=O)C1 SBB008561 [0,1,0,1,0,0|0,1,1]=4 324 B7R1.2 O=C1CSC(=O)N1 SBB000047 [0,1,0,1,0,0|1,0,1]=4 325 B7R1.2 O=C1CSC(=S)N1 SBB000066 [0,1,0,1,0,0|1,0,1]=4 326 B7R1.2 O=C1CSC(S)=N1 SBB042652 [0,1,0,1,0,0|1,0,1]=4 327 B7R1.2 O=C1C[C@H](O)CO1 SBB055783 [0,1,0,1,0,0|2,0,0]=4 328 B7R1.3 O=C1C=CCCC1 SBB008209 [0,1,0,1,0,0|1,0,1]=4 329 B7R1.3 O=C1CCCCC1 SBB060074 [0,1,0,1,0,0|1,0,0]=3 330 B7R1.3 O=C1CCCCO1 SBB060349 [0,1,0,1,0,0|1,0,0]=3 331 B7R1.3 O=C1CCOCC1 SBB049627 [0,1,0,1,0,0|0,1,0]=3 332 B7R1.3 O=C1CCSCC1 SBB048121 [0,1,0,1,0,0|0,0,0]=2 333 B7R1.3 O=C1CNCCN1 SBB000034 [0,1,0,1,0,0|1,0,0]=3 334 B7R1.4 CN1CCCC1=O SBB060297 [0,1,0,1,0,0|1,0,0]=3 335 B7R1.4 NC1CCOC1=O SBB004366 [0,1,0,1,0,0|2,0,0]=4 336 B7R1.4 NC1CCOC1=O SBB057192 [0,1,0,1,0,0|2,0,0]=4 337 B7R1.4 NC1CCSC1=O SBB004035 [0,1,0,1,0,0|2,0,0]=4 338 B7R1.4 N[C@@H]1CSC[C@H]1O SBB014689 [0,1,0,1,0,0|0,0,2]=4 339 B7R1.4 N[C@H]1CONC1=O SBB006706 [0,1,0,1,0,0|1,1,0]=4 340 B7R1.4 O=C1OCCC1Br SBB083094 [0,1,0,1,0,0|2,0,0]=4 341 B7R1.10 C=C1CC(CN)C1 SBB052508 [0,1,0,1,0,0|2,0,0]=4 342 B7R1.10 O=C1CC(CO)C1 SBB054867 [0,1,0,1,0,0|1,0,0]=3 343 B7R1.22 COC(=O)C1CN1 SBB054042 [0,1,0,1,0,0|1,0,0]=3 344 B7R1.22 NNC(=O)C1CC1 SBB021014 [0,1,0,1,0,0|2,0,0]=4 345 B7R1.22 O=C(CBr)C1CC1 SBB051680 [0,1,0,1,0,0|1,0,0]=3 346 B7R1.12 C[C@H]1C[C@H]1C(=O)O SBB069055 [0,1,0,1,0,0|2,0,0]=4 347 B7R1.20 O=C(O)CC1CC1 SBB005442 [0,1,0,1,0,0|2,0,0]=4 348 B7R1.18 NC(=O)C1CCC1 SBB111823 [0,1,0,1,0,0|2,0,0]=4 349 B7R1.18 O=C(Cl)C1CCC1 SBB007882 [0,1,0,1,0,0|2,0,0]=4 350 B7R1.18 O=C(O)C1CCC1 SBB053465 [0,1,0,1,0,0|2,0,0]=4 351 B7R1.18 O=C(O)C1CCN1 SBB053470 [0,1,0,1,0,0|2,0,0]=4 352 B7R1.18 O=C(O)C1CNC1 SBB027353 [0,1,0,1,0,0|2,0,0]=4 353 B7R1.18 O=C(O)[C@@H]1CCN1 SBB004365 [0,1,0,1,0,0|2,0,0]=4 354 B7R1.19 CC1(C(=O)Cl)CC1 SBB053677 [0,1,0,1,0,0|2,0,0]=4 355 B7R1.19 CC1(C(=O)O)CC1 SBB053429 [0,1,0,1,0,0|2,0,0]=4 356 B7R1.19 NC1(C(=O)O)CC1 SBB059531 [0,1,0,1,0,0|2,0,0]=4 357 B7R1.19 NC1(C(=O)O)CC1 SBB065741 [0,1,0,1,0,0|2,0,0]=4 358 B7R1.14 O=S1(=O)CCCC1 SBB057389 [0,1,0,1,0,0|2,0,0]=4