0 B8R1.50 CC1=C(C)C(=O)NC1 SBB055792 [0,0,0,0,0,0|2,0,1]=3 1 B8R1.50 CC1C(=O)CCC1=O SBB060744 [0,0,0,0,0,0|2,0,2]=4 2 B8R1.50 CN1CCN(C)C1=O SBB008346 [0,0,0,0,0,0|3,0,0]=3 3 B8R1.50 CN1CC[N+](C)=C1F SBB086877 [0,0,0,0,0,0|4,0,0]=4 4 B8R1.50 CN1CC[N+](C)=C1F SBB092106 [0,0,0,0,0,0|4,0,0]=4 5 B8R1.50 CN1CC[N+](C)=C1F SBB097557 [0,0,0,0,0,0|4,0,0]=4 6 B8R1.50 CN1CC[N+](C)=C1F SBB099785 [0,0,0,0,0,0|4,0,0]=4 7 B8R1.50 O=C1CCC(=O)N1Br SBB007826 [0,0,0,0,0,0|3,0,1]=4 8 B8R1.50 O=C1CCC(=O)N1Cl SBB058749 [0,0,0,0,0,0|3,0,1]=4 9 B8R1.50 O=C1CCC(=O)N1I SBB056268 [0,0,0,0,0,0|3,0,1]=4 10 B7R1.2 CC1=CC(=O)NO1 SBB055813 [1,0,0,0,0,0|2,0,1]=4 11 B7R1.2 CC1CNC(=S)N1 SBB055856 [1,0,0,0,0,0|2,1,0]=4 12 B7R1.2 O=C1C=C(O)CO1 SBB056227 [1,0,0,0,0,0|2,0,1]=4 13 B7R1.2 O=C1CCC(=O)N1 SBB040866 [1,0,0,0,0,0|2,0,1]=4 14 B7R1.2 O=C1CCC(=O)O1 SBB040819 [1,0,0,0,0,0|2,0,1]=4 15 B7R1.2 O=C1C[C@H](O)CO1 SBB055783 [1,0,0,0,0,0|2,0,1]=4 16 B7R1.4 CN1CCCC1=O SBB060297 [1,0,0,0,0,0|1,0,1]=3 17 B7R1.4 NC1CCOC1=O SBB004366 [1,0,0,0,0,0|2,0,0]=3 18 B7R1.4 NC1CCOC1=O SBB057192 [1,0,0,0,0,0|2,0,0]=3 19 B7R1.4 NC1CCSC1=O SBB004035 [1,0,0,0,0,0|2,0,0]=3 20 B7R1.4 N[C@H]1CONC1=O SBB006706 [1,0,0,0,0,0|3,0,0]=4 21 B7R1.4 O=C1OCCC1Br SBB083094 [1,0,0,0,0,0|2,0,0]=3 22 B9R1.37 CC1=C(O)C(=O)C(C)O1 SBB058632 [0,1,0,0,0,0|1,0,2]=4 23 B9R1.138 CC1(C)COC(=O)C1O SBB055782 [0,1,0,0,0,0|1,0,2]=4 24 B9R1.138 CC1(C)COC(=O)[C@@H]1O SBB017517 [0,1,0,0,0,0|1,0,2]=4 25 B7R0.3 C=C(CC)CCCC SBB060475 [0,0,1,0,0,0|2,0,1]=4 26 B7R0.3 C=CC(O)CCCC SBB008778 [0,0,1,0,0,0|1,0,2]=4 27 B7R0.3 CCCCC(=O)NN SBB028196 [0,0,1,0,0,0|2,0,0]=3 28 B7R0.3 CCCNC(=O)CCl SBB016586 [0,0,1,0,0,0|2,0,1]=4 29 B7R0.3 CCCOC(=O)CCl SBB060962 [0,0,1,0,0,0|2,0,1]=4 30 B7R0.3 CCCOC(=O)CS SBB061003 [0,0,1,0,0,0|1,1,1]=4 31 B7R0.3 CCOCC(=O)NN SBB080108 [0,0,1,0,0,0|3,0,0]=4 32 B7R0.3 CNCCC(=O)NC SBB046578 [0,0,1,0,0,0|3,0,0]=4 33 B7R0.3 CNCCC(=O)NC SBB080433 [0,0,1,0,0,0|3,0,0]=4 34 B7R0.3 N(N)C(=O)CCOC SBB059492 [0,0,1,0,0,0|3,0,0]=4 35 B7R0.3 NNC(=O)CCCO SBB028199 [0,0,1,0,0,0|3,0,0]=4 36 B7R0.10 CCC(Br)C(=O)OC SBB070737 [0,0,1,0,0,0|2,0,1]=4 37 B7R0.10 CNC(=O)C(=O)NC SBB007883 [0,0,1,0,0,0|2,0,0]=3 38 B7R0.10 COC(=O)C(=O)OC SBB040902 [0,0,1,0,0,0|2,0,0]=3 39 B7R0.10 COC(C)C(=O)NN SBB080152 [0,0,1,0,0,0|3,0,0]=4 40 B7R0.16 CC(Br)C(=O)C(C)Br SBB070869 [0,0,1,0,0,0|2,0,1]=4 41 B7R0.16 CC(C)C(N)C(N)=O SBB017492 [0,0,1,0,0,0|2,0,1]=4 42 B7R0.16 CC(C)[C@@H](N)C(=O)O SBB006709 [0,0,1,0,0,0|2,0,1]=4 43 B7R0.16 CC(C)[C@@H](O)C(=O)O SBB053572 [0,0,1,0,0,0|1,0,2]=4 44 B7R0.16 CC(C)[C@H](Br)C(=O)O SBB065818 [0,0,1,0,0,0|2,0,1]=4 45 B7R0.16 CC(C)[C@H](N)C(N)=O SBB056426 [0,0,1,0,0,0|2,0,1]=4 46 B7R0.16 CN(C)C(=O)N(C)C SBB060410 [0,0,1,0,0,0|3,0,0]=4 47 B9R1.3 CC1CCCC(C)C1=O SBB059688 [0,0,0,0,0,1|1,0,1]=3 48 B9R1.3 CN1CCCN(C)C1=O SBB058374 [0,0,0,0,0,1|3,0,0]=4 49 B9R1.69 CC1=CNC(=O)NC1=O SBB058343 [0,0,0,0,0,1|1,0,2]=4 50 B9R1.69 CC1=NNC(=O)NC1=O SBB017571 [0,0,0,0,0,1|2,0,1]=4 51 B9R1.69 CC1CN(C)CCC1=O SBB001724 [0,0,0,0,0,1|2,0,1]=4 52 B9R1.69 CC1CNC(=O)NC1=O SBB058146 [0,0,0,0,0,1|1,0,0]=2 53 B6R0.1 C=CC(=O)OCC SBB060348 [1,0,1,0,0,0|2,0,0]=4 54 B6R0.1 CCCC(=O)CC SBB061496 [1,0,1,0,0,0|0,0,1]=3 55 B6R0.1 CCCC(=O)NN SBB028175 [1,0,1,0,0,0|2,0,0]=4 56 B6R0.1 CCCC(=O)OC SBB061104 [1,0,1,0,0,0|1,0,1]=4 57 B6R0.1 CCNC(=O)CBr SBB051008 [1,0,1,0,0,0|2,0,0]=4 58 B6R0.1 CCNC(=O)CCl SBB008200 [1,0,1,0,0,0|2,0,0]=4 59 B6R0.1 CCOC(=O)CBr SBB060995 [1,0,1,0,0,0|2,0,0]=4 60 B6R0.1 CCOC(=O)CC SBB060312 [1,0,1,0,0,0|1,0,0]=3 61 B6R0.1 C\C=C\C(=O)OC SBB061218 [1,0,1,0,0,0|1,0,1]=4 62 B6R0.1 [NH3+]CC(=O)OCC SBB056599 [1,0,1,0,0,0|2,0,0]=4 63 B6R0.4 C=CCCC(C)=O SBB009089 [1,0,1,0,0,0|1,0,1]=4 64 B6R0.4 CC(C)COC=O SBB061244 [1,0,1,0,0,0|1,0,1]=4 65 B6R0.4 CCCCC(=O)O SBB053585 [1,0,1,0,0,0|0,0,1]=3 66 B6R0.4 CCCCC(C)=O SBB061262 [1,0,1,0,0,0|0,0,1]=3 67 B6R0.4 CCCCC(N)=O SBB028169 [1,0,1,0,0,0|1,0,0]=3 68 B6R0.4 CCCNC(N)=O SBB028174 [1,0,1,0,0,0|2,0,0]=4 69 B6R0.4 CCCOC(C)=O SBB060305 [1,0,1,0,0,0|1,0,1]=4 70 B6R0.4 CCCOC(N)=O SBB000036 [1,0,1,0,0,0|2,0,0]=4 71 B6R0.4 CCOCC(=O)O SBB069120 [1,0,1,0,0,0|1,0,1]=4 72 B6R0.4 CCSCC(=O)O SBB047288 [1,0,1,0,0,0|1,0,1]=4 73 B6R0.4 CNCCC(N)=O SBB080375 [1,0,1,0,0,0|2,0,0]=4 74 B6R0.4 NCCCC(=O)O SBB028179 [1,0,1,0,0,0|1,0,1]=4 75 B6R0.4 O=C(Cl)CCCCl SBB060894 [1,0,1,0,0,0|2,0,0]=4 76 B6R0.4 O=C(O)CCCBr SBB065986 [1,0,1,0,0,0|1,0,1]=4 77 B6R0.6 C=CCCCCC SBB059882 [1,0,1,0,0,0|1,0,1]=4 78 B6R0.6 CCCCNC=O SBB060026 [1,0,1,0,0,0|1,0,0]=3 79 B6R0.6 CCCCOC=O SBB060300 [1,0,1,0,0,0|1,0,0]=3 80 B6R0.6 CCC\C=C\C=O SBB067097 [1,0,1,0,0,0|0,0,1]=3 81 B6R0.3 C=C(C)C(=O)OC SBB060556 [1,0,1,0,0,0|2,0,0]=4 82 B6R0.3 C=CC(=O)N(C)C SBB008330 [1,0,1,0,0,0|1,0,1]=4 83 B6R0.3 CC(C)C(=O)NN SBB030401 [1,0,1,0,0,0|2,0,0]=4 84 B6R0.3 CC(CN)C(=O)O SBB061656 [1,0,1,0,0,0|1,0,1]=4 85 B6R0.3 CCC(=O)C(C)=O SBB061626 [1,0,1,0,0,0|0,0,0]=2 86 B6R0.3 CCC(Br)C(=O)O SBB040791 [1,0,1,0,0,0|1,0,1]=4 87 B6R0.3 CCC(N)C(N)=O SBB017505 [1,0,1,0,0,0|2,0,0]=4 88 B6R0.3 CC[C@H](N)C(=O)O SBB053588 [1,0,1,0,0,0|1,0,1]=4 89 B6R0.3 CN[C@@H](C)C(=O)O SBB069105 [1,0,1,0,0,0|1,0,1]=4 90 B6R0.3 CN[C@@H](C)C(=O)O SBB069106 [1,0,1,0,0,0|1,0,1]=4 91 B6R0.3 COC(=O)C(C)C SBB061111 [1,0,1,0,0,0|1,0,0]=3 92 B6R0.3 COC(=O)C(C)N SBB007634 [1,0,1,0,0,0|2,0,0]=4 93 B6R0.3 O=C(O)C(=O)CBr SBB053571 [1,0,1,0,0,0|2,0,0]=4 94 B6R0.3 O=C(O)C(=O)CBr SBB053584 [1,0,1,0,0,0|2,0,0]=4 95 B6R0.2 CC(=O)C=C(C)C SBB040870 [1,0,1,0,0,0|0,0,1]=3 96 B6R0.2 CC(=O)CC(C)C SBB060384 [1,0,1,0,0,0|0,0,1]=3 97 B6R0.2 CC(=O)\C=C(\C)N SBB007945 [1,0,1,0,0,0|1,0,1]=4 98 B6R0.2 CC(=O)\C=C(\C)[O-] SBB080715 [1,0,1,0,0,0|1,0,1]=4 99 B6R0.2 CC(C)=CC(=O)O SBB065769 [1,0,1,0,0,0|1,0,1]=4 100 B6R0.2 CC(C)CC(=O)Cl SBB040623 [1,0,1,0,0,0|1,0,1]=4 101 B6R0.2 CC(C)CC(N)=O SBB028167 [1,0,1,0,0,0|1,0,1]=4 102 B6R1.2 O=C1C=CCO1 SBB040281 [2,0,0,0,0,0|1,0,1]=4 103 B6R1.2 O=C1CCCC1 SBB040835 [2,0,0,0,0,0|0,0,1]=3 104 B6R1.2 O=C1CCCN1 SBB060296 [2,0,0,0,0,0|1,0,0]=3 105 B6R1.2 O=C1CCNN1 SBB007977 [2,0,0,0,0,0|2,0,0]=4 106 B6R1.2 O=C1CCSC1 SBB007947 [2,0,0,0,0,0|1,0,1]=4 107 B8R0.1 CCCCC(=O)OCC SBB061113 [0,1,1,0,0,0|1,0,1]=4 108 B8R0.6 CCCCCC(=O)CC SBB060388 [0,1,1,0,0,0|1,0,1]=4 109 B8R0.6 CCCCCC(=O)NN SBB021010 [0,1,1,0,0,0|2,0,0]=4 110 B8R0.6 CCCCCC(=O)NO SBB008093 [0,1,1,0,0,0|1,0,1]=4 111 B8R0.6 CCCCCC(=O)OC SBB060591 [0,1,1,0,0,0|2,0,0]=4 112 B8R0.6 CCCCNC(=O)CCl SBB010319 [0,1,1,0,0,0|1,0,1]=4 113 B8R0.6 CCCCOC(=O)CC SBB060578 [0,1,1,0,0,0|1,0,1]=4 114 B8R0.6 CCCCOC(=O)CCl SBB060760 [0,1,1,0,0,0|1,0,1]=4 115 B8R0.6 CCCCOC(=O)CF SBB085867 [0,1,1,0,0,0|1,0,1]=4 116 B8R0.6 CCCCOC(=O)CS SBB061004 [0,1,1,0,0,0|0,1,1]=4 117 B8R0.6 CCNCCC(=O)NN SBB046550 [0,1,1,0,0,0|2,0,0]=4 118 B8R0.6 CCOCCC(=O)NN SBB079954 [0,1,1,0,0,0|2,0,0]=4 119 B8R0.6 COC(=O)CCCCBr SBB070759 [0,1,1,0,0,0|2,0,0]=4 120 B8R0.8 CCCCC(=O)C(C)=O SBB008584 [0,1,1,0,0,0|0,0,0]=2 121 B8R0.8 CCCCC(=O)N(C)C SBB007992 [0,1,1,0,0,0|2,0,0]=4 122 B8R0.8 CCCCC(Br)C(=O)O SBB069524 [0,1,1,0,0,0|1,0,1]=4 123 B8R0.8 CCCCC(C)C(=O)O SBB072714 [0,1,1,0,0,0|1,0,1]=4 124 B8R0.8 CCCCC(N)C(C)=O SBB014561 [0,1,1,0,0,0|1,0,1]=4 125 B8R0.8 CCCC[C@H](N)C(=O)O SBB065920 [0,1,1,0,0,0|1,0,1]=4 126 B8R0.8 OC(=O)C(C)CCCCl SBB004068 [0,1,1,0,0,0|1,0,1]=4 127 B8R0.11 C(=O)\C(=C\CCC)CC SBB008156 [0,1,1,0,0,0|1,0,1]=4 128 B8R0.11 CCCCC(C=O)CC SBB060148 [0,1,1,0,0,0|1,0,1]=4 129 B8R0.2 CCC(C)C(Br)C(=O)O SBB069132 [0,1,1,0,0,0|1,0,1]=4 130 B8R0.2 [C@H](C)(CC)[C@H](N)C(=O)O SBB037854 [0,1,1,0,0,0|1,0,1]=4 131 B8R0.20 C=CC(=O)N(CC)CC SBB051446 [0,1,1,0,0,0|2,0,0]=4 132 B8R0.20 CCC(OC)C(=O)NN SBB080166 [0,1,1,0,0,0|2,0,0]=4 133 B8R0.18 CNC(C(C)=O)C(C)C SBB002847 [0,1,1,0,0,0|1,0,1]=4 134 B8R0.27 CC(C)(C)C(=O)C(=O)O SBB065803 [0,1,1,0,0,0|1,0,0]=3 135 B8R1.1 CCC1COC(=O)O1 SBB008625 [1,1,0,0,0,0|2,0,0]=4 136 B8R1.1 O=C1CCC(CCl)O1 SBB074378 [1,1,0,0,0,0|1,0,0]=3 137 B8R1.1 O=C1NCC(CBr)S1 SBB019210 [1,1,0,0,0,0|2,0,0]=4 138 B8R1.1 OC[C@@H]1CCC(=O)N1 SBB004302 [1,1,0,0,0,0|1,0,0]=3 139 B8R1.18 CC1=CC(=O)C(C)O1 SBB055769 [1,1,0,0,0,0|1,0,1]=4 140 B8R1.51 CC1=CS(=O)(=O)CC1 SBB041230 [1,1,0,0,0,0|1,0,1]=4 141 B8R1.11 N#CC1=C(N)CCC1 SBB014004 [1,1,0,0,0,0|2,0,0]=4 142 B8R1.19 CC1(Br)CCOC1=O SBB057373 [1,1,0,0,0,0|1,0,0]=3 143 B10R1.22 CC1CN(C)CC(C)C1=O SBB002813 [0,1,0,0,0,1|1,0,1]=4 144 B10R1.119 CC1C(=O)CCN(C)C1C SBB002408 [0,1,0,0,0,1|1,0,1]=4 145 B10R1.63 CC1=CC(=O)C(C)(C)NC1 SBB002831 [0,1,0,0,0,1|2,0,0]=4 146 B10R1.118 [C@H]1(C)C[C@@H](C)C(=O)OC1=O SBB086230 [0,1,0,0,0,1|0,0,0]=2 147 B8R1.2 C(=O)N1CCCCC1 SBB004316 [0,0,1,1,0,0|2,0,0]=4 148 B8R1.2 C=CC1CC=CCC1 SBB059892 [0,0,1,1,0,0|2,0,0]=4 149 B8R1.2 O=CC1=CCCOC1 SBB018863 [0,0,1,1,0,0|2,0,0]=4 150 B8R1.2 O=CC1CC=CCC1 SBB068360 [0,0,1,1,0,0|1,0,0]=3 151 B8R1.2 O=CC1CCNCC1 SBB052337 [0,0,1,1,0,0|2,0,0]=4 152 B8R1.2 O=CC1CCOCC1 SBB052321 [0,0,1,1,0,0|2,0,0]=4 153 B8R1.5 CC1=C(C)CCCC1 SBB060472 [0,0,1,1,0,0|2,0,0]=4 154 B8R1.5 CC1CCCCC1=O SBB058517 [0,0,1,1,0,0|1,0,1]=4 155 B8R1.5 O=C1CCCCC1Cl SBB061548 [0,0,1,1,0,0|1,0,1]=4 156 B8R1.5 O=C1NCCNC1=O SBB079701 [0,0,1,1,0,0|2,0,0]=4 157 B8R1.22 O=C1CCCCCC1 SBB060075 [0,0,1,1,0,0|1,0,1]=4 158 B8R1.22 O=C1CCCCCN1 SBB058658 [0,0,1,1,0,0|2,0,0]=4 159 B8R1.38 COC(=O)C1CCC1 SBB071501 [0,0,1,1,0,0|2,0,0]=4 160 B8R1.38 NNC(=O)C1CCC1 SBB046617 [0,0,1,1,0,0|2,0,0]=4 161 B10R2.25 O=C1C2CCC(C2)C1Cl SBB061651 [0,0,0,1,0,1|1,0,1]=4 162 B10R2.62 O=C1CN2CCC1CC2 SBB056219 [0,0,0,1,0,1|2,0,0]=4 163 B10R2.62 O=C1CN2CCC1CC2 SBB080572 [0,0,0,1,0,1|2,0,0]=4 164 B10R2.178 O=C1CCC2CO[C@@H]1O2 SBB014281 [0,0,0,1,0,1|0,0,2]=4 165 B8R0.23 CC(=O)CC(=O)C(F)F SBB028629 [0,0,1,0,0,1|2,0,0]=4 166 B8R0.23 CC(=O)CC(=O)N(C)C SBB007704 [0,0,1,0,0,1|1,0,0]=3 167 B8R0.23 CC(C)OC(=O)[C@@H](C)N SBB070143 [0,0,1,0,0,1|1,0,1]=4 168 B8R1.4 CC1=CC(=O)CCC1 SBB007736 [1,0,0,0,0,1|0,0,1]=3 169 B8R1.4 NC1=CC(=O)CCC1 SBB028190 [1,0,0,0,0,1|1,0,1]=4