0 B6R0.1 C#CCC(=O)OC M41116 [0,0,0,0,0,0|2,0,2]=4 1 B6R0.1 C=C(OCC)[Zn]Cl E4486 [0,0,0,0,0,0|3,0,0]=3 2 B6R0.1 CC#CC(=O)OC M62298 [0,0,0,0,0,0|2,0,1]=3 3 B6R0.1 CC=CC(=O)CC H41457 [0,0,0,0,0,0|1,0,1]=2 4 B6R0.1 CCC[C@@H](Cl)CC C63946 [0,0,0,0,0,0|2,0,1]=3 5 B6R0.1 CCC[C@H](N)CO A40443 [0,0,0,0,0,0|3,0,1]=4 6 B6R0.1 CCC[C@H](N)CO A66421 [0,0,0,0,0,0|3,0,1]=4 7 B6R0.1 CCOC(=O)C#N E15572 [0,0,0,0,0,0|1,0,1]=2 8 B6R0.1 CCOC(=O)CN G69291 [0,0,0,0,0,0|1,0,0]=1 9 B6R0.1 CCOC(=O)CO E37817 [0,0,0,0,0,0|1,0,0]=1 10 B6R0.1 CCOC(=O)NN E39139 [0,0,0,0,0,0|2,0,0]=2 11 B6R0.1 CCOC(=O)OC E40254 [0,0,0,0,0,0|1,0,0]=1 12 B6R0.1 CCO\C(C)=N\O E68624 [0,0,0,0,0,0|3,0,0]=3 13 B6R0.1 CNC(=O)CC#N C40181 [0,0,0,0,0,0|3,0,1]=4 14 B6R0.1 CNC(=O)CCN A40306 [0,0,0,0,0,0|3,0,0]=3 15 B6R0.1 COC(=O)C#CBr M38132 [0,0,0,0,0,0|3,0,1]=4 16 B6R0.1 COC(=O)CC#N M68915 [0,0,0,0,0,0|3,0,1]=4 17 B6R0.1 COC(=O)CCBr M39155 [0,0,0,0,0,0|3,0,0]=3 18 B6R0.1 COC(=O)CCN M67902 [0,0,0,0,0,0|3,0,0]=3 19 B6R0.1 COC(=O)CCO M24551 [0,0,0,0,0,0|3,0,0]=3 20 B6R0.1 COC(=O)OCCl C62332 [0,0,0,0,0,0|2,0,0]=2 21 B6R0.1 COC(=O)\C=C/Br B3417 [0,0,0,0,0,0|3,0,1]=4 22 B6R0.1 COC(=O)\C=C/I I2748 [0,0,0,0,0,0|3,0,1]=4 23 B6R0.1 COC(=O)\C=C\I M40173 [0,0,0,0,0,0|3,0,1]=4 24 B6R0.1 COCC(=O)NN M39884 [0,0,0,0,0,0|4,0,0]=4 25 B5R0.1 C=C(C)OCC E5573 [1,0,0,0,0,0|1,0,0]=2 26 B5R0.1 CC#CC(=O)O B67945 [1,0,0,0,0,0|2,0,1]=4 27 B5R0.1 CC(=O)CC#N X40158 [1,0,0,0,0,0|2,0,1]=4 28 B5R0.1 CC(=O)CCCl C69539 [1,0,0,0,0,0|2,0,0]=3 29 B5R0.1 CCC[C@@H](C)N P16023 [1,0,0,0,0,0|2,0,1]=4 30 B5R0.1 CCC[C@H](C)N P22363 [1,0,0,0,0,0|2,0,1]=4 31 B5R0.1 CCOC(=N)N E36845 [1,0,0,0,0,0|2,0,0]=3 32 B5R0.1 CCOC(=S)[S-] P69346 [1,0,0,0,0,0|1,1,0]=3 33 B5R0.1 CCOC(C)=N E68065 [1,0,0,0,0,0|1,0,0]=2 34 B5R0.1 CNCC(=O)O M68590 [1,0,0,0,0,0|3,0,0]=4 35 B5R0.1 CNCC(N)=O M68358 [1,0,0,0,0,0|3,0,0]=4 36 B5R0.1 COCC(=O)O M69331 [1,0,0,0,0,0|3,0,0]=4 37 B5R0.1 NCCC(N)=O A67869 [1,0,0,0,0,0|3,0,0]=4 38 B5R0.2 BrC\C=C\CBr D60806 [1,0,0,0,0,0|3,0,0]=4 39 B5R0.2 CCO\C=C/Br B2725 [1,0,0,0,0,0|1,0,1]=3 40 B5R0.2 NC\C=C/CCl C65470 [1,0,0,0,0,0|3,0,0]=4 41 B5R0.2 NC\C=C/CN B69714 [1,0,0,0,0,0|3,0,0]=4 42 B5R0.2 OC\C=C\CO B64254 [1,0,0,0,0,0|3,0,0]=4 43 B5R0.3 C#CC(=O)OC M40108 [1,0,0,0,0,0|0,0,2]=3 44 B5R0.3 C=C(CBr)CBr B36829 [1,0,0,0,0,0|3,0,0]=4 45 B5R0.3 C=C(CCl)CCl C10867 [1,0,0,0,0,0|3,0,0]=4 46 B5R0.3 C=C(CO)CO M5145 [1,0,0,0,0,0|3,0,0]=4 47 B5R0.3 C=CC(=O)NC M37664 [1,0,0,0,0,0|1,0,2]=4 48 B5R0.3 CCC(=N)NO H39883 [1,0,0,0,0,0|3,0,0]=4 49 B5R0.3 CCC(=O)CN A32390 [1,0,0,0,0,0|1,0,0]=2 50 B5R0.3 CCC(=O)CO H36713 [1,0,0,0,0,0|1,0,0]=2 51 B5R0.3 CCC(N)CC P40440 [1,0,0,0,0,0|1,0,1]=3 52 B5R0.3 CC[C@@H](N)CO A39144 [1,0,0,0,0,0|2,0,1]=4 53 B5R0.3 CC[C@@H](O)CO B39955 [1,0,0,0,0,0|1,0,2]=4 54 B5R0.3 CC[C@H](N)CO A39145 [1,0,0,0,0,0|2,0,1]=4 55 B5R0.3 CC[C@H](O)CO B39956 [1,0,0,0,0,0|1,0,2]=4 56 B5R0.3 CNC(=O)CBr B60913 [1,0,0,0,0,0|2,0,0]=3 57 B5R0.3 CNC(=O)CCl C67921 [1,0,0,0,0,0|2,0,0]=3 58 B5R0.3 COC(=O)CN M69126 [1,0,0,0,0,0|1,0,0]=2 59 B5R0.3 COC(=O)CO M67586 [1,0,0,0,0,0|1,0,0]=2 60 B5R0.3 CO[C@@H](C)CN M40313 [1,0,0,0,0,0|2,0,1]=4 61 B5R0.3 CO[C@@H](C)CO M68380 [1,0,0,0,0,0|2,0,1]=4 62 B5R0.3 CO[C@H](C)CN M40312 [1,0,0,0,0,0|2,0,1]=4 63 B5R0.3 CO[C@H](C)CO M68381 [1,0,0,0,0,0|2,0,1]=4 64 B5R0.3 NNC(=O)CO H32091 [1,0,0,0,0,0|3,0,0]=4 65 B5R0.3 O=C(CCl)CCl D4849 [1,0,0,0,0,0|2,0,0]=3 66 B7R0.2 CC(C)NC(=O)CCl P40378 [0,1,0,0,0,0|2,0,0]=3 67 B7R0.2 CC(C)OC(=O)CO I38145 [0,1,0,0,0,0|1,0,0]=2 68 B7R0.2 CCC(=O)CC(C)=O H69646 [0,1,0,0,0,0|1,0,1]=3 69 B7R0.2 CCC(=O)OC(C)=O A41227 [0,1,0,0,0,0|0,0,1]=2 70 B7R0.2 COC(=O)C=C(C)C M41461 [0,1,0,0,0,0|2,0,1]=4 71 B7R0.2 COC(=O)C[C@@H](C)N M41333 [0,1,0,0,0,0|2,0,0]=3 72 B7R0.2 COC(=O)C[C@@H](C)O M68364 [0,1,0,0,0,0|2,0,0]=3 73 B7R0.2 COC(=O)C[C@H](C)O M37970 [0,1,0,0,0,0|2,0,0]=3 74 B7R0.2 COC(=O)\C=C(\C)N M68908 [0,1,0,0,0,0|2,0,1]=4 75 B7R0.3 C#CCNC(=O)CBr B2431 [0,1,0,0,0,0|2,0,1]=4 76 B7R0.3 C=CC(=O)NCCN A41315 [0,1,0,0,0,0|1,0,2]=4 77 B7R0.3 C=CCOC(=O)CI P7846 [0,1,0,0,0,0|1,0,1]=3 78 B7R0.3 CCCCC(=O)NN P40425 [0,1,0,0,0,0|3,0,0]=4 79 B7R0.3 CCCC[C@@H]([Mg+])CC E31708 [0,1,0,0,0,0|2,0,1]=4 80 B7R0.3 CCCOC(=O)OC M40388 [0,1,0,0,0,0|1,0,0]=2 81 B7R0.3 CNCCC(=O)OC M40412 [0,1,0,0,0,0|2,0,0]=3 82 B7R0.3 COC(=N)CCCCl M40379 [0,1,0,0,0,0|3,0,0]=4 83 B7R0.3 COC(=O)C=CCBr M37461 [0,1,0,0,0,0|2,0,1]=4 84 B7R0.3 COC(=O)CCCBr M39189 [0,1,0,0,0,0|2,0,0]=3 85 B7R0.3 COC(=O)CCCCl M60517 [0,1,0,0,0,0|2,0,0]=3 86 B7R0.3 COC(=O)CCCN M32376 [0,1,0,0,0,0|2,0,0]=3 87 B7R0.3 COC(=O)\C=C\CBr M41176 [0,1,0,0,0,0|2,0,1]=4 88 B7R0.3 COC=CC(=O)OC M39186 [0,1,0,0,0,0|2,0,1]=4 89 B7R0.3 CO\C=C\C(=O)OC M41228 [0,1,0,0,0,0|2,0,1]=4 90 B7R0.5 CC(C)C(=O)CC#N M43378 [0,1,0,0,0,0|2,0,1]=4 91 B7R0.5 CC(C)C(=O)OCCl C24559 [0,1,0,0,0,0|1,0,0]=2 92 B7R0.5 CCOC(=O)C(=O)O E36772 [0,1,0,0,0,0|1,0,1]=3 93 B7R0.5 CCOC(=O)C(C)=O E60800 [0,1,0,0,0,0|0,0,1]=2 94 B7R0.5 CCOC(=O)C(N)=O E60589 [0,1,0,0,0,0|1,0,1]=3 95 B7R0.5 CCOC(=O)C(N)=S E15645 [0,1,0,0,0,0|1,0,1]=3 96 B7R0.5 CCOC(=O)[C@@H](C)N A39194 [0,1,0,0,0,0|0,0,0]=1 97 B7R0.5 CCOC(=O)[C@@H](C)O E68607 [0,1,0,0,0,0|0,0,0]=1 98 B7R0.5 CCOC(=O)[C@H](C)F E41270 [0,1,0,0,0,0|0,0,0]=1 99 B7R0.5 CCOC(=O)[C@H](C)S E40385 [0,1,0,0,0,0|0,0,0]=1 100 B7R0.7 CC#CC(=O)OCC E36835 [0,1,0,0,0,0|0,0,1]=2 101 B7R0.7 CCC[C@H](N)CCO A43513 [0,1,0,0,0,0|2,0,1]=4 102 B7R0.7 CCNC(=O)NCC D40424 [0,1,0,0,0,0|1,0,0]=2 103 B7R0.7 CCOC(=O)CCBr E39188 [0,1,0,0,0,0|0,0,0]=1 104 B7R0.7 CCOC(=O)CCI E41273 [0,1,0,0,0,0|0,0,0]=1 105 B7R0.7 CCOC(=O)CCO E36682 [0,1,0,0,0,0|0,0,0]=1 106 B7R0.7 CCOC(=O)CNC S69399 [0,1,0,0,0,0|0,0,0]=1 107 B7R0.7 CCOC(=O)CNN E67459 [0,1,0,0,0,0|1,0,0]=2 108 B7R0.7 CCOC(=O)CSC E40386 [0,1,0,0,0,0|0,0,0]=1 109 B7R0.7 CCOC(=O)OCCl C38646 [0,1,0,0,0,0|1,0,0]=2 110 B7R0.7 CCOC(=O)[CH-]C=O E29890 [0,1,0,0,0,0|0,0,2]=3 111 B7R0.7 CCOC(=O)\C=C\I E41181 [0,1,0,0,0,0|0,0,2]=3 112 B7R0.7 CCOC(C)=NC#N E41191 [0,1,0,0,0,0|2,0,1]=4 113 B7R0.7 COCC(=O)COC D40391 [0,1,0,0,0,0|2,0,0]=3 114 B7R0.7 O=C(CCCl)CCCl D67616 [0,1,0,0,0,0|2,0,0]=3 115 B7R0.10 C=C(CBr)C(=O)OC M36843 [0,1,0,0,0,0|3,0,0]=4 116 B7R0.10 C=C(CO)C(=O)OC M7022 [0,1,0,0,0,0|3,0,0]=4 117 B7R0.10 CCC(=O)C(=O)CC H41459 [0,1,0,0,0,0|1,0,0]=2 118 B7R0.10 CCC(=O)N(C)OC M40411 [0,1,0,0,0,0|2,0,0]=3 119 B7R0.10 CC[C@@H](N)C(=O)OC M61982 [0,1,0,0,0,0|2,0,0]=3 120 B7R0.10 CC[C@H](Br)C(=O)OC M68973 [0,1,0,0,0,0|2,0,0]=3 121 B7R0.10 CC[C@H](N)C(=O)OC M40408 [0,1,0,0,0,0|2,0,0]=3 122 B7R0.10 CC[C@H](N)C(=O)OC M41330 [0,1,0,0,0,0|2,0,0]=3 123 B7R0.10 CC[C@H](N)C(=O)OC M41334 [0,1,0,0,0,0|2,0,0]=3 124 B7R0.10 CN[C@@H](C)C(=O)OC M62351 [0,1,0,0,0,0|3,0,0]=4 125 B7R0.10 COC(=O)C(=O)CBr M2726 [0,1,0,0,0,0|3,0,0]=4 126 B7R0.10 COC(=O)[C@@H](Br)CO M40234 [0,1,0,0,0,0|3,0,0]=4 127 B7R0.10 COC(=O)[C@@H](C)CBr M41268 [0,1,0,0,0,0|3,0,0]=4 128 B7R0.10 COC(=O)[C@@H](C)CO M25480 [0,1,0,0,0,0|3,0,0]=4 129 B7R0.10 COC(=O)[C@@H](Cl)CCl M69066 [0,1,0,0,0,0|3,0,0]=4 130 B7R0.10 COC(=O)[C@@H](F)CO M60918 [0,1,0,0,0,0|3,0,0]=4 131 B7R0.10 COC(=O)[C@@H](N)CO M68693 [0,1,0,0,0,0|3,0,0]=4 132 B7R0.10 COC(=O)[C@@H](N)CO S64541 [0,1,0,0,0,0|3,0,0]=4 133 B7R0.10 COC(=O)[C@@H](O)CN M61501 [0,1,0,0,0,0|3,0,0]=4 134 B7R0.10 COC(=O)[C@@H](O)CO M40259 [0,1,0,0,0,0|3,0,0]=4 135 B7R0.10 COC(=O)[C@H](C)CO M40393 [0,1,0,0,0,0|3,0,0]=4 136 B7R0.10 COC(=O)[C@H](N)CCl M69012 [0,1,0,0,0,0|3,0,0]=4 137 B7R0.10 COC(=O)[C@H](N)CS M69349 [0,1,0,0,0,0|3,0,0]=4 138 B7R0.10 COC(=O)[C@H](O)CO M40258 [0,1,0,0,0,0|3,0,0]=4 139 B7R0.10 CON(C)C(=O)CCl C40248 [0,1,0,0,0,0|3,0,0]=4 140 B7R1.1 BrCC1=CCCC1 B7551 [0,0,0,1,0,0|3,0,0]=4 141 B7R1.1 BrC[C@H]1CCCO1 B17294 [0,0,0,1,0,0|2,0,1]=4 142 B7R1.1 CCC1=NN=CO1 E37555 [0,0,0,1,0,0|2,0,1]=4 143 B7R1.1 COC1=NCCC1 M69559 [0,0,0,1,0,0|3,0,0]=4 144 B7R1.1 ClCC1=NCCN1 C69471 [0,0,0,1,0,0|3,0,0]=4 145 B7R1.1 NC[C@@H]1CCCO1 T25038 [0,0,0,1,0,0|2,0,1]=4 146 B7R1.1 OCC1OCCO1 D40256 [0,0,0,1,0,0|1,0,2]=4 147 B7R1.1 OC[C@@H]1CCCO1 T40383 [0,0,0,1,0,0|2,0,1]=4 148 B7R1.1 OC[C@H]1CCCO1 T67581 [0,0,0,1,0,0|2,0,1]=4 149 B7R1.1 OC[C@H]1CCCO1 T68627 [0,0,0,1,0,0|2,0,1]=4 150 B7R1.2 CC1=CC(=O)CC1 M22783 [0,0,0,1,0,0|1,0,1]=3 151 B7R1.2 CC1=CC(=O)CO1 M41117 [0,0,0,1,0,0|2,0,1]=4 152 B7R1.2 CC1=NNC(=O)O1 M39837 [0,0,0,1,0,0|2,0,1]=4 153 B7R1.2 CN1CCC(=O)C1 M5444 [0,0,0,1,0,0|2,0,0]=3 154 B7R1.2 C[C@@H]1CC[C@@H](C)N1 D60301 [0,0,0,1,0,0|2,0,1]=4 155 B7R1.2 C[C@@H]1CNC(=O)C1 P22910 [0,0,0,1,0,0|2,0,0]=3 156 B7R1.2 C[C@@H]1COC(=O)N1 M32194 [0,0,0,1,0,0|2,0,0]=3 157 B7R1.2 C[C@H]1CCC(=O)N1 M61805 [0,0,0,1,0,0|1,0,0]=2 158 B7R1.2 C[C@H]1COC(=O)N1 M40226 [0,0,0,1,0,0|2,0,0]=3 159 B7R1.2 N[C@@H]1CNC(=O)C1 A11620 [0,0,0,1,0,0|3,0,0]=4 160 B7R1.2 N[C@@H]1CNC(=O)C1 A20556 [0,0,0,1,0,0|3,0,0]=4 161 B7R1.2 N[C@@H]1CNC(=O)C1 A24834 [0,0,0,1,0,0|3,0,0]=4 162 B7R1.2 N[C@@H]1CNC(=O)C1 P21713 [0,0,0,1,0,0|3,0,0]=4 163 B7R1.2 N[C@@H]1COC(=O)C1 A40337 [0,0,0,1,0,0|3,0,0]=4 164 B7R1.2 N[C@H]1CNC(=O)C1 A27147 [0,0,0,1,0,0|3,0,0]=4 165 B7R1.2 N[C@H]1COC(=O)C1 A37707 [0,0,0,1,0,0|3,0,0]=4 166 B7R1.2 O=C1CCC(=O)C1 C13761 [0,0,0,1,0,0|2,0,1]=4 167 B7R1.2 O=C1CC[C@H](O)C1 H22750 [0,0,0,1,0,0|2,0,0]=3 168 B7R1.2 O=C1CNC(=O)O1 X68377 [0,0,0,1,0,0|2,0,1]=4 169 B7R1.2 O=C1C[C@@H](O)CN1 H22487 [0,0,0,1,0,0|3,0,0]=4 170 B7R1.2 O=C1C[C@@H](S)CN1 M12154 [0,0,0,1,0,0|3,0,0]=4 171 B7R1.2 O=C1C[C@H](O)CN1 H15629 [0,0,0,1,0,0|3,0,0]=4 172 B7R1.2 O=C1C[C@H](O)CN1 H38056 [0,0,0,1,0,0|3,0,0]=4 173 B7R1.2 O=C1OC[C@H](F)O1 F39135 [0,0,0,1,0,0|2,0,0]=3 174 B7R1.3 BrC1CCCCC1 B69054 [0,0,0,1,0,0|2,0,1]=4 175 B7R1.3 C=C1CCNCC1 M19855 [0,0,0,1,0,0|3,0,0]=4 176 B7R1.3 C=C1CCOCC1 M23324 [0,0,0,1,0,0|3,0,0]=4 177 B7R1.3 CC1=CCCNC1 M12102 [0,0,0,1,0,0|3,0,0]=4 178 B7R1.3 CC1=CCNCC1 M26826 [0,0,0,1,0,0|3,0,0]=4 179 B7R1.3 C[C@@H]1CNCCO1 M15403 [0,0,0,1,0,0|2,0,1]=4 180 B7R1.3 C[C@@H]1CNCCO1 M28760 [0,0,0,1,0,0|2,0,1]=4 181 B7R1.3 C[C@H]1CCCCN1 M43475 [0,0,0,1,0,0|2,0,1]=4 182 B7R1.3 C[C@H]1CNCCO1 M15401 [0,0,0,1,0,0|2,0,1]=4 183 B7R1.3 C[C@H]1CNCCO1 M15402 [0,0,0,1,0,0|2,0,1]=4 184 B7R1.3 C[C@H]1CNCCO1 M29509 [0,0,0,1,0,0|2,0,1]=4 185 B7R1.3 C[C@H]1CNCCO1 M41323 [0,0,0,1,0,0|2,0,1]=4 186 B7R1.3 NC1=NCCCN1 A40341 [0,0,0,1,0,0|3,0,0]=4 187 B7R1.3 NC1CCCCC1 C39283 [0,0,0,1,0,0|2,0,1]=4 188 B7R1.3 O=C1C=CCCN1 D67780 [0,0,0,1,0,0|1,0,2]=4 189 B7R1.3 O=C1C=CCOC1 P26982 [0,0,0,1,0,0|2,0,1]=4 190 B7R1.3 O=C1CCCCN1 P69632 [0,0,0,1,0,0|1,0,0]=2 191 B7R1.3 O=C1CCCNC1 P1523 [0,0,0,1,0,0|2,0,0]=3 192 B7R1.3 O=C1CCCNC1 P31811 [0,0,0,1,0,0|2,0,0]=3 193 B7R1.3 O=C1CCCOC1 T7026 [0,0,0,1,0,0|2,0,0]=3 194 B7R1.3 O=C1CCCSC1 T1776 [0,0,0,1,0,0|2,0,0]=3 195 B7R1.3 O=C1CCNCC1 P23503 [0,0,0,1,0,0|2,0,0]=3 196 B7R1.3 O=C1CCOCC1 T4632 [0,0,0,1,0,0|2,0,0]=3 197 B7R1.3 O=C1CCSCC1 T6200 [0,0,0,1,0,0|2,0,0]=3 198 B7R1.3 O=C1CNCCN1 P10419 [0,0,0,1,0,0|2,0,0]=3 199 B7R1.3 O=C1COCCN1 M7700 [0,0,0,1,0,0|2,0,0]=3 200 B7R1.3 O=C1COCCO1 D38663 [0,0,0,1,0,0|1,0,0]=2 201 B7R1.3 O=C1CSCCN1 T40230 [0,0,0,1,0,0|2,0,0]=3 202 B7R1.3 O=S1CCNCC1 T5787 [0,0,0,1,0,0|3,0,0]=4 203 B7R1.3 O[C@@H]1CNCCO1 M40347 [0,0,0,1,0,0|1,0,2]=4 204 B7R1.3 [Mg+]C1CCCCC1 C31701 [0,0,0,1,0,0|2,0,1]=4 205 B7R1.4 CN1CCCC1=S M6872 [0,0,0,1,0,0|2,1,0]=4 206 B7R1.4 CN1CCN=C1N M40301 [0,0,0,1,0,0|3,0,0]=4 207 B7R1.4 CN1CCNC1=O M40241 [0,0,0,1,0,0|2,0,0]=3 208 B7R1.4 C[C@@H]1OCCC1=O M41223 [0,0,0,1,0,0|2,0,0]=3 209 B7R1.4 C[C@H]1CCCC1=O M41458 [0,0,0,1,0,0|1,0,0]=2 210 B7R1.4 C[C@H]1CCNC1=O M41257 [0,0,0,1,0,0|1,0,0]=2 211 B7R1.4 C[C@H]1CCOC1=O M41224 [0,0,0,1,0,0|0,0,0]=1 212 B7R1.4 NN1CCCC1=O A22230 [0,0,0,1,0,0|3,0,0]=4 213 B7R1.4 N[C@@H]1CCNC1=O A40242 [0,0,0,1,0,0|2,0,0]=3 214 B7R1.4 N[C@@H]1CCNC1=O A62971 [0,0,0,1,0,0|2,0,0]=3 215 B7R1.4 N[C@@H]1CCOC1=O H68344 [0,0,0,1,0,0|1,0,0]=2 216 B7R1.4 N[C@H]1CCNC1=O A24294 [0,0,0,1,0,0|2,0,0]=3 217 B7R1.4 N[C@H]1CCOC1=O A40300 [0,0,0,1,0,0|1,0,0]=2 218 B7R1.4 N[C@H]1CCOC1=O A40335 [0,0,0,1,0,0|1,0,0]=2 219 B7R1.4 O=C1NCC[C@@H]1O H20173 [0,0,0,1,0,0|2,0,0]=3 220 B7R1.4 O=C1NCC[C@@H]1O H37914 [0,0,0,1,0,0|2,0,0]=3 221 B7R1.4 O=C1NCC[C@H]1O H40227 [0,0,0,1,0,0|2,0,0]=3 222 B7R1.4 O=C1OCC[C@@H]1Br B31114 [0,0,0,1,0,0|1,0,0]=2 223 B7R1.6 CCOC1CNC1 E41322 [0,0,0,1,0,0|2,0,1]=4 224 B7R1.8 O=C1CC[C@@H]1CO H13228 [0,0,0,1,0,0|2,0,0]=3 225 B7R1.22 CCC(=O)C1CC1 C24823 [0,0,0,1,0,0|1,0,0]=2 226 B7R1.22 CC[C@H](O)C1CC1 C29750 [0,0,0,1,0,0|1,0,2]=4 227 B7R1.22 NNC(=O)C1CC1 C7568 [0,0,0,1,0,0|3,0,0]=4 228 B7R1.27 CC[C@]1(C)ON1C E65451 [0,0,0,1,0,0|2,0,1]=4 229 B4R0.1 CC(=O)CN A38843 [2,0,0,0,0,0|1,0,0]=3 230 B4R0.1 CC(=O)CO H60801 [2,0,0,0,0,0|1,0,0]=3 231 B4R0.1 CC(=O)NN A64932 [2,0,0,0,0,0|2,0,0]=4 232 B4R0.1 CCB(O)O E3108 [2,0,0,0,0,0|1,0,1]=4 233 B4R0.1 CCC(=N)N P39882 [2,0,0,0,0,0|2,0,0]=4 234 B4R0.1 CCC(=N)N P39927 [2,0,0,0,0,0|2,0,0]=4 235 B4R0.1 CCC(N)=O P68920 [2,0,0,0,0,0|1,0,0]=3 236 B4R0.1 CC[C@H](C)N B62608 [2,0,0,0,0,0|1,0,1]=4 237 B4R0.1 CC[S@](=O)[O-] S39781 [2,0,0,0,0,0|1,0,1]=4 238 B4R0.1 COC(=N)N M69240 [2,0,0,0,0,0|2,0,0]=4 239 B4R0.1 NC(=O)CBr B39771 [2,0,0,0,0,0|2,0,0]=4 240 B4R0.1 NC(=O)CI K60849 [2,0,0,0,0,0|2,0,0]=4 241 B4R0.1 NC(=O)CO H68919 [2,0,0,0,0,0|2,0,0]=4 242 B4R0.1 NCC(N)=O G69255 [2,0,0,0,0,0|2,0,0]=4 243 B4R0.2 COCCBr B39138 [2,0,0,0,0,0|1,0,1]=4 244 B4R0.2 COCCI K39881 [2,0,0,0,0,0|1,0,1]=4 245 B6R0.2 CC(=O)C=C(C)N A41256 [1,1,0,0,0,0|1,0,1]=4 246 B6R0.2 CC(=O)NC(C)C P40402 [1,1,0,0,0,0|1,0,0]=3 247 B6R0.2 CC(=O)O[C@H](C)Br B40231 [1,1,0,0,0,0|0,0,0]=2 248 B6R0.2 C[C@@H](N)CC(=O)O A37837 [1,1,0,0,0,0|2,0,0]=4 249 B6R0.2 C[C@@H](N)CC(=O)O A40348 [1,1,0,0,0,0|2,0,0]=4 250 B6R0.2 C[C@@H](O)CC(=O)[O-] S37350 [1,1,0,0,0,0|2,0,0]=4 251 B6R0.2 C[C@H](N)CC(=O)O A40265 [1,1,0,0,0,0|2,0,0]=4 252 B6R0.2 C[C@H](O)CC(=O)O H38871 [1,1,0,0,0,0|2,0,0]=4 253 B6R0.2 C[C@H](O)CC(=O)[O-] S40298 [1,1,0,0,0,0|2,0,0]=4 254 B6R0.3 CCC(=O)C(=O)[O-] S40297 [1,1,0,0,0,0|2,0,0]=4 255 B6R0.3 CCN(C)C(=O)Cl E40250 [1,1,0,0,0,0|2,0,0]=4 256 B6R0.3 CCN(C)C(C)=O E40404 [1,1,0,0,0,0|1,0,0]=3 257 B6R0.3 CC[C@@H](C)C(=O)O M40381 [1,1,0,0,0,0|2,0,0]=4 258 B6R0.3 CC[C@@H](N)C(N)=O A40305 [1,1,0,0,0,0|2,0,0]=4 259 B6R0.3 CC[C@H](N)C(=O)O A40349 [1,1,0,0,0,0|2,0,0]=4 260 B6R0.3 CC[C@H](N)C(=O)O A68376 [1,1,0,0,0,0|2,0,0]=4 261 B6R0.3 CC[C@H](N)C(N)=O A64477 [1,1,0,0,0,0|2,0,0]=4 262 B6R0.3 CC[C@H](O)C(=O)O H23105 [1,1,0,0,0,0|2,0,0]=4 263 B6R0.3 CON(C)C(C)=O M3307 [1,1,0,0,0,0|2,0,0]=4 264 B6R0.4 CC(=O)CCCCl C68599 [1,1,0,0,0,0|1,0,0]=3 265 B6R0.4 CC(=O)NCCN A68626 [1,1,0,0,0,0|1,0,0]=3 266 B6R0.4 CC(=O)NCCO H68625 [1,1,0,0,0,0|1,0,0]=3 267 B6R0.4 CC(=O)OCCBr B67892 [1,1,0,0,0,0|0,0,0]=2 268 B6R0.4 CC(C)=CCCBr B0351 [1,1,0,0,0,0|2,0,0]=4 269 B6R0.4 CC(C)=CCC[Mg+] M31885 [1,1,0,0,0,0|2,0,0]=4 270 B6R0.4 CC(C)OCCBr B69154 [1,1,0,0,0,0|1,0,1]=4 271 B6R0.4 CCCCC(=O)[O-] S38573 [1,1,0,0,0,0|2,0,0]=4 272 B6R0.4 CCCOC(N)=O P40264 [1,1,0,0,0,0|1,0,0]=3 273 B6R0.4 CNCCC(=O)O M40350 [1,1,0,0,0,0|2,0,0]=4 274 B6R0.4 COC=CC(C)=O M41222 [1,1,0,0,0,0|1,0,1]=4 275 B6R0.4 COCCC(=O)O M40255 [1,1,0,0,0,0|2,0,0]=4 276 B6R0.4 NCCCC(N)=O A40304 [1,1,0,0,0,0|2,0,0]=4 277 B6R0.4 O=C(O)CCCBr B39154 [1,1,0,0,0,0|2,0,0]=4 278 B6R0.4 O=C(O)CCCCl C40232 [1,1,0,0,0,0|2,0,0]=4 279 B6R0.5 CCOP(=O)(Cl)Cl E39780 [1,1,0,0,0,0|2,0,0]=4 280 B6R0.6 CC=CCCCO H41548 [1,1,0,0,0,0|1,0,1]=4 281 B6R0.6 CCCCCC[Mg+] H31703 [1,1,0,0,0,0|1,0,1]=4 282 B6R0.6 CCCCCNC M41618 [1,1,0,0,0,0|1,0,1]=4 283 B6R0.6 CCC\C=C\CO H41550 [1,1,0,0,0,0|1,0,1]=4 284 B6R0.6 CCOCCC#N E41255 [1,1,0,0,0,0|0,0,2]=4 285 B6R0.6 NCCOCCN X39968 [1,1,0,0,0,0|1,0,1]=4 286 B6R0.6 NCCOCCN X40357 [1,1,0,0,0,0|1,0,1]=4 287 B6R0.6 OCCOCCCl C60784 [1,1,0,0,0,0|1,0,1]=4 288 B6R0.6 OCCOCCO D43939 [1,1,0,0,0,0|1,0,1]=4 289 B6R0.8 CCS(=O)(=O)OC M39889 [1,1,0,0,0,0|1,0,0]=3 290 B6R0.9 CCC(CC)C[Mg+] E31704 [1,1,0,0,0,0|1,0,1]=4 291 B6R0.9 CCN(C=O)CC D68184 [1,1,0,0,0,0|1,0,0]=3 292 B6R0.9 COC(C=O)OC D38564 [1,1,0,0,0,0|1,0,1]=4 293 B8R0.2 COC(=O)C(=O)[C@H](C)Br B6543 [0,2,0,0,0,0|2,0,0]=4 294 B8R0.2 COC(=O)C(N)C(C)O M41339 [0,2,0,0,0,0|2,0,0]=4 295 B8R0.2 COC(=O)[C@@H](N)C(C)C M68320 [0,2,0,0,0,0|2,0,0]=4 296 B8R0.2 COC(=O)[C@@H](N)[C@@H](C)O T41338 [0,2,0,0,0,0|2,0,0]=4 297 B8R0.2 COC(=O)[C@@H](N)[C@H](C)O M41341 [0,2,0,0,0,0|2,0,0]=4 298 B8R0.2 COC(=O)[C@H](N)C(C)C M60727 [0,2,0,0,0,0|2,0,0]=4 299 B8R0.2 CON(C)C(=O)C(C)C M16724 [0,2,0,0,0,0|2,0,0]=4 300 B8R0.5 CC(C)OC(=O)OCCl C68871 [0,2,0,0,0,0|1,0,0]=3 301 B8R0.5 CC(C)OC(=O)OCI K62369 [0,2,0,0,0,0|1,0,0]=3 302 B8R0.5 CC(C)OC(=O)\C=C/I P67231 [0,2,0,0,0,0|0,0,2]=4 303 B8R0.5 CCOC(=O)CC(=O)[O-] P39163 [0,2,0,0,0,0|0,0,1]=3 304 B8R0.5 CCOC(=O)CC(N)=O E38643 [0,2,0,0,0,0|0,0,1]=3 305 B8R0.5 CCOC(=O)CC(N)=S E6802 [0,2,0,0,0,0|0,0,1]=3 306 B8R0.5 CCOC(=O)C[C@@H](C)O E64944 [0,2,0,0,0,0|0,0,0]=2 307 B8R0.5 CCOC(=O)C[C@H](C)N E43492 [0,2,0,0,0,0|0,0,0]=2 308 B8R0.5 CCOC(=O)C[C@H](C)N E61042 [0,2,0,0,0,0|0,0,0]=2 309 B8R0.5 COCC(=O)OC(C)C P65707 [0,2,0,0,0,0|0,0,0]=2 310 B8R0.19 CCC(=O)CC(=O)CC H43801 [0,2,0,0,0,0|1,0,0]=3 311 B8R0.19 CCC(=O)CC(=O)OC M39036 [0,2,0,0,0,0|1,0,1]=4 312 B8R0.19 CC[C@H](N)CC(=O)OC M43495 [0,2,0,0,0,0|2,0,0]=4 313 B8R0.19 COC(=O)C[C@@H](O)CCl M41276 [0,2,0,0,0,0|2,0,0]=4 314 B8R0.23 C=C(C)C(=O)NC(C)C P43839 [0,2,0,0,0,0|1,0,1]=4 315 B8R0.23 CC(=O)C(=O)OC(C)C P65400 [0,2,0,0,0,0|0,0,1]=3 316 B8R0.23 CC(C)OC(=O)[C@@H](C)N P66866 [0,2,0,0,0,0|0,0,0]=2 317 B8R0.23 CC(C)OC(=O)[C@H](C)N P39284 [0,2,0,0,0,0|0,0,0]=2 318 B8R0.24 C#CC(=O)OC(C)(C)C B43714 [0,2,0,0,0,0|0,0,2]=4 319 B8R0.24 CC(C)(C)OC(=O)CI B41529 [0,2,0,0,0,0|1,0,0]=3 320 B8R0.24 CC(C)(C)OC(=O)CN A38454 [0,2,0,0,0,0|1,0,0]=3 321 B8R0.24 CC(C)(C)OC(=O)CO H32095 [0,2,0,0,0,0|1,0,0]=3 322 B8R0.24 CC(C)(C)OC(=O)NN B12512 [0,2,0,0,0,0|2,0,0]=4 323 B8R0.24 CC(C)(C)OC(=O)NO H32224 [0,2,0,0,0,0|2,0,0]=4 324 B8R0.24 CNC(=O)OC(C)(C)C B2974 [0,2,0,0,0,0|1,0,0]=3 325 B8R0.24 COC(=O)CC(C)(C)O M41558 [0,2,0,0,0,0|2,0,0]=4 326 B8R0.34 CCS(=O)(=O)OC(C)C P61641 [0,2,0,0,0,0|1,0,0]=3 327 B8R0.1 C#CCCC(=O)CCO H6251 [0,2,0,0,0,0|1,0,1]=4 328 B8R0.1 CCOC(=O)CCC#N E63052 [0,2,0,0,0,0|0,0,0]=2 329 B8R0.1 CCOC(=O)CCCBr B69333 [0,2,0,0,0,0|0,0,0]=2 330 B8R0.1 CCOC(=O)CCCI E31893 [0,2,0,0,0,0|0,0,0]=2 331 B8R0.1 CCOC(=O)CCCN E43487 [0,2,0,0,0,0|0,0,0]=2 332 B8R0.1 CCOC(=O)CCNC E41584 [0,2,0,0,0,0|0,0,0]=2 333 B8R0.1 CCOC(=O)CCSC E39202 [0,2,0,0,0,0|0,0,0]=2 334 B8R0.1 CCOC(=O)\C=C\C=O E69342 [0,2,0,0,0,0|0,0,2]=4 335 B8R0.1 CCOC(=O)\C=C\CBr E43399 [0,2,0,0,0,0|0,0,1]=3 336 B8R0.1 CCOCC(=O)OCC E41554 [0,2,0,0,0,0|0,0,0]=2 337 B8R0.3 C=C(CBr)C(=O)OCC E43400 [0,2,0,0,0,0|0,0,1]=3 338 B8R0.3 C=C(CO)C(=O)OCC E41470 [0,2,0,0,0,0|0,0,1]=3 339 B8R0.3 CCC[C@@H](N)C(=O)OC M66692 [0,2,0,0,0,0|2,0,0]=4 340 B8R0.3 CCC[C@H](N)C(=O)OC M43489 [0,2,0,0,0,0|2,0,0]=4 341 B8R0.3 CCN[C@@H](C)C(=O)OC M32327 [0,2,0,0,0,0|2,0,0]=4 342 B8R0.3 CCOC(=O)C(=O)CBr E15776 [0,2,0,0,0,0|0,0,1]=3 343 B8R0.3 CCOC(=O)C(=O)CBr E2491 [0,2,0,0,0,0|0,0,1]=3 344 B8R0.3 CCOC(=O)C(=O)CC E67705 [0,2,0,0,0,0|0,0,0]=2 345 B8R0.3 CCOC(=O)C(=O)NN E36826 [0,2,0,0,0,0|1,0,1]=4 346 B8R0.3 CCOC(=O)C(N)=NO E40243 [0,2,0,0,0,0|1,0,1]=4 347 B8R0.3 CCOC(=O)[C@@H](Br)CBr E39185 [0,2,0,0,0,0|0,0,0]=2 348 B8R0.3 CCOC(=O)[C@@H](C)CC E43888 [0,2,0,0,0,0|0,0,0]=2 349 B8R0.3 CCOC(=O)[C@@H](N)CC E43491 [0,2,0,0,0,0|0,0,0]=2 350 B8R0.3 CCOC(=O)[C@@H](N)CO E69027 [0,2,0,0,0,0|0,0,0]=2 351 B8R0.3 CCOC(=O)[C@@H](N)CO S41337 [0,2,0,0,0,0|0,0,0]=2 352 B8R0.3 CCOC(=O)[C@@H](N)CS C64730 [0,2,0,0,0,0|0,0,0]=2 353 B8R0.3 CCOC(=O)[C@H](C)C#N E43380 [0,2,0,0,0,0|0,0,0]=2 354 B8R0.3 CCOC(=O)[C@H](N)CO E69611 [0,2,0,0,0,0|0,0,0]=2 355 B8R0.3 CCOC(=O)\C(Cl)=N\O E2979 [0,2,0,0,0,0|1,0,1]=4 356 B8R0.3 COC[C@@H](N)C(=O)OC M38225 [0,2,0,0,0,0|2,0,0]=4 357 B8R0.6 CCCC=CC(=O)OC M43802 [0,2,0,0,0,0|2,0,0]=4 358 B8R0.6 CCCCCC(=O)CBr B43868 [0,2,0,0,0,0|2,0,0]=4 359 B8R0.6 CCCCNC(=O)CCl B41547 [0,2,0,0,0,0|2,0,0]=4 360 B8R0.6 CNCCCC(=O)OC M43486 [0,2,0,0,0,0|2,0,0]=4 361 B8R0.6 COC(=O)CCCCBr M41523 [0,2,0,0,0,0|2,0,0]=4 362 B8R0.6 COC(=O)CCCCCl M63406 [0,2,0,0,0,0|2,0,0]=4 363 B8R0.6 COC(=O)CCCCN M43490 [0,2,0,0,0,0|2,0,0]=4 364 B8R0.6 COC(=O)COCCCl M41275 [0,2,0,0,0,0|1,0,0]=3 365 B8R0.6 COCCCC(=O)OC M68350 [0,2,0,0,0,0|2,0,0]=4 366 B8R0.8 CCCCC(=O)[C@H](C)N A46508 [0,2,0,0,0,0|1,0,0]=3 367 B8R0.25 CCS(=O)(=O)CCCO E4265 [0,2,0,0,0,0|2,0,0]=4 368 B8R0.25 CCS(=O)(=O)CCOC E2827 [0,2,0,0,0,0|2,0,0]=4 369 B8R0.14 CC(C)(C)C(=O)OCCl P69131 [0,2,0,0,0,0|1,0,0]=3 370 B8R0.14 CC(C)(C)C(=O)OCI K62297 [0,2,0,0,0,0|1,0,0]=3 371 B8R0.22 C#CC(OCC)OCC D43803 [0,2,0,0,0,0|1,0,1]=4 372 B8R0.22 CCCN(C=O)CCC D43905 [0,2,0,0,0,0|2,0,0]=4 373 B8R0.22 CCOC(C#N)OCC D41500 [0,2,0,0,0,0|1,0,1]=4 374 B8R0.22 CCOC(CBr)OCC B8051 [0,2,0,0,0,0|1,0,1]=4 375 B8R0.22 CCOC(CI)OCC D1378 [0,2,0,0,0,0|1,0,1]=4 376 B8R0.22 CCOC(CN)OCC D41622 [0,2,0,0,0,0|1,0,1]=4 377 B8R0.22 CCOC(CO)OCC D37875 [0,2,0,0,0,0|0,0,2]=4 378 B8R0.30 CCOP(=O)([O-])OCC E54072 [0,2,0,0,0,0|1,0,0]=3 379 B6R1.2 CC1=NCCC1 M41239 [1,0,0,1,0,0|2,0,0]=4 380 B6R1.2 NC1=NCCC1 D38561 [1,0,0,1,0,0|2,0,0]=4 381 B6R1.2 O=C1C=CCC1 C26583 [1,0,0,1,0,0|1,0,1]=4 382 B6R1.2 O=C1C=CCO1 F5673 [1,0,0,1,0,0|0,0,2]=4 383 B6R1.2 O=C1CCNC1 P0198 [1,0,0,1,0,0|2,0,0]=4 384 B6R1.2 O=C1CCNN1 P39917 [1,0,0,1,0,0|2,0,0]=4 385 B6R1.2 O=C1CCOC1 X0391 [1,0,0,1,0,0|2,0,0]=4 386 B6R1.2 O=C1CCSC1 D10906 [1,0,0,1,0,0|2,0,0]=4 387 B6R1.2 O=C1NCCN1 K62398 [1,0,0,1,0,0|2,0,0]=4 388 B6R1.2 O=C1NCCS1 T39859 [1,0,0,1,0,0|1,1,0]=4 389 B6R1.5 CC1CC(=O)C1 M17286 [1,0,0,1,0,0|1,0,0]=3 390 B6R1.5 NC1CC(=O)C1 A0660 [1,0,0,1,0,0|2,0,0]=4 391 B6R1.5 O=C1CC(Br)C1 B8012 [1,0,0,1,0,0|2,0,0]=4 392 B6R1.5 O=C1CC(F)C1 F13109 [1,0,0,1,0,0|2,0,0]=4 393 B6R1.5 O=C1CC(O)C1 H10121 [1,0,0,1,0,0|2,0,0]=4 394 B6R1.11 O=C(O)C1CC1 C69104 [1,0,0,1,0,0|2,0,0]=4 395 B6R1.1 C1=CCNCC1 T0540 [1,0,0,1,0,0|2,0,0]=4 396 B6R1.1 C1=CCOCC1 D10810 [1,0,0,1,0,0|2,0,0]=4 397 B6R1.1 C1CCNCC1 P67647 [1,0,0,1,0,0|1,0,1]=4 398 B6R1.1 C1CCNNC1 H8288 [1,0,0,1,0,0|2,0,0]=4 399 B6R1.1 C1CCONC1 X13780 [1,0,0,1,0,0|1,0,0]=3 400 B6R1.1 C1CCONC1 X40342 [1,0,0,1,0,0|1,0,0]=3 401 B6R1.1 C1CNCOC1 X40263 [1,0,0,1,0,0|1,0,1]=4 402 B6R1.6 BrC[C@H]1CCO1 B0614 [1,0,0,1,0,0|1,0,1]=4 403 B6R1.6 IC[C@H]1CCO1 I6940 [1,0,0,1,0,0|1,0,1]=4 404 B6R1.6 NC[C@H]1CCO1 X6187 [1,0,0,1,0,0|1,0,1]=4 405 B6R1.6 OC[C@H]1CCO1 X6188 [1,0,0,1,0,0|1,0,1]=4 406 B6R1.7 CCC1(N)CC1 E29724 [1,0,0,1,0,0|1,0,1]=4 407 B8R1.1 COC1=CC(=O)CC1 M61379 [0,1,0,1,0,0|1,0,1]=4 408 B8R1.1 NC[C@@H]1CCC(=O)N1 A19938 [0,1,0,1,0,0|1,0,0]=3 409 B8R1.1 NC[C@@H]1CNC(=O)C1 A15732 [0,1,0,1,0,0|2,0,0]=4 410 B8R1.1 NC[C@@H]1CNC(=O)C1 A27672 [0,1,0,1,0,0|2,0,0]=4 411 B8R1.1 NC[C@@H]1CNC(=O)C1 A7263 [0,1,0,1,0,0|2,0,0]=4 412 B8R1.1 NC[C@@H]1CNC(=O)O1 A27512 [0,1,0,1,0,0|1,0,0]=3 413 B8R1.1 NC[C@H]1CCC(=O)N1 A64040 [0,1,0,1,0,0|1,0,0]=3 414 B8R1.1 NC[C@H]1CNC(=O)C1 A18478 [0,1,0,1,0,0|2,0,0]=4 415 B8R1.1 NC[C@H]1CNC(=O)C1 A27671 [0,1,0,1,0,0|2,0,0]=4 416 B8R1.1 NC[C@H]1CNC(=O)O1 A10733 [0,1,0,1,0,0|1,0,0]=3 417 B8R1.1 NC[C@H]1CNC(=O)O1 A21197 [0,1,0,1,0,0|1,0,0]=3 418 B8R1.1 NC[C@H]1COC(=O)N1 A13336 [0,1,0,1,0,0|2,0,0]=4 419 B8R1.1 O=C1CC[C@@H](CBr)N1 B41220 [0,1,0,1,0,0|1,0,0]=3 420 B8R1.1 O=C1CC[C@@H](CO)N1 H21817 [0,1,0,1,0,0|1,0,0]=3 421 B8R1.1 O=C1CC[C@@H](CO)O1 H41229 [0,1,0,1,0,0|0,0,0]=2 422 B8R1.1 O=C1CC[C@H](CBr)N1 B32099 [0,1,0,1,0,0|1,0,0]=3 423 B8R1.1 O=C1CC[C@H](CBr)O1 B66357 [0,1,0,1,0,0|0,0,0]=2 424 B8R1.1 O=C1CC[C@H](CI)N1 I2851 [0,1,0,1,0,0|1,0,0]=3 425 B8R1.1 O=C1CC[C@H](CI)O1 I2850 [0,1,0,1,0,0|0,0,0]=2 426 B8R1.1 O=C1CC[C@H](CO)N1 H24798 [0,1,0,1,0,0|1,0,0]=3 427 B8R1.1 O=C1CC[C@H](CO)N1 H7102 [0,1,0,1,0,0|1,0,0]=3 428 B8R1.1 O=C1CC[C@H](CO)O1 H5013 [0,1,0,1,0,0|0,0,0]=2 429 B8R1.1 O=C1C[C@H](CO)CN1 H14660 [0,1,0,1,0,0|2,0,0]=4 430 B8R1.1 O=C1NC[C@@H](CCl)O1 C40210 [0,1,0,1,0,0|1,0,0]=3 431 B8R1.1 O=C1NC[C@@H](CO)O1 H26969 [0,1,0,1,0,0|1,0,0]=3 432 B8R1.1 O=C1NC[C@H](CO)O1 H25217 [0,1,0,1,0,0|1,0,0]=3 433 B8R1.1 O=C1N[C@@H](CI)CO1 K40211 [0,1,0,1,0,0|2,0,0]=4 434 B8R1.1 O=C1N[C@@H](CO)CO1 H62331 [0,1,0,1,0,0|2,0,0]=4 435 B8R1.4 CC1CC(N)CCO1 M26284 [0,1,0,1,0,0|1,0,1]=4 436 B8R1.4 CC1CC(O)CCO1 M14345 [0,1,0,1,0,0|1,0,1]=4 437 B8R1.4 CN1CCCC(=O)C1 M13651 [0,1,0,1,0,0|1,0,0]=3 438 B8R1.4 CN1CCNC(=O)C1 M6975 [0,1,0,1,0,0|1,0,0]=3 439 B8R1.4 CN1CCOC(=O)C1 M41260 [0,1,0,1,0,0|0,0,0]=2 440 B8R1.4 C[C@@H]1CC(=O)CCN1 M10735 [0,1,0,1,0,0|1,0,0]=3 441 B8R1.4 C[C@@H]1CC(=O)CCO1 M11329 [0,1,0,1,0,0|1,0,0]=3 442 B8R1.4 C[C@@H]1CNCC(=O)N1 M13313 [0,1,0,1,0,0|1,0,0]=3 443 B8R1.4 C[C@@H]1COCC(=O)N1 M17373 [0,1,0,1,0,0|1,0,0]=3 444 B8R1.4 C[C@H]1CC(=O)CCN1 M10734 [0,1,0,1,0,0|1,0,0]=3 445 B8R1.4 C[C@H]1CC(=O)CCN1 M19737 [0,1,0,1,0,0|1,0,0]=3 446 B8R1.4 C[C@H]1CC(=O)CCN1 M8156 [0,1,0,1,0,0|1,0,0]=3 447 B8R1.4 C[C@H]1CC(=O)CCO1 M11328 [0,1,0,1,0,0|1,0,0]=3 448 B8R1.4 C[C@H]1CC(=O)CCO1 M14197 [0,1,0,1,0,0|1,0,0]=3 449 B8R1.4 C[C@H]1CCCC(=O)N1 M23832 [0,1,0,1,0,0|1,0,0]=3 450 B8R1.4 C[C@H]1CCNC(=O)C1 M23793 [0,1,0,1,0,0|1,0,0]=3 451 B8R1.4 C[C@H]1CNCC(=O)N1 M11164 [0,1,0,1,0,0|1,0,0]=3 452 B8R1.4 C[C@H]1CNC[C@@H](C)O1 D14096 [0,1,0,1,0,0|1,0,1]=4 453 B8R1.4 C[C@H]1CNC[C@H](C)O1 D22785 [0,1,0,1,0,0|1,0,1]=4 454 B8R1.4 C[C@H]1CNC[C@H](C)O1 D7921 [0,1,0,1,0,0|1,0,1]=4 455 B8R1.4 NC1=CC(=O)CCC1 A9456 [0,1,0,1,0,0|1,0,1]=4 456 B8R1.4 N[C@H]1CCNC(=O)C1 A0054 [0,1,0,1,0,0|1,0,0]=3 457 B8R1.4 N[C@H]1CCNC(=O)C1 A37105 [0,1,0,1,0,0|1,0,0]=3 458 B8R1.4 O=C1CCCC(=O)C1 C38740 [0,1,0,1,0,0|1,0,1]=4 459 B8R1.4 O=C1CCCC(=O)N1 P69653 [0,1,0,1,0,0|1,0,1]=4 460 B8R1.4 O=C1CCNC(=O)C1 P7969 [0,1,0,1,0,0|1,0,1]=4 461 B8R1.4 O=C1C[C@@H](O)CCN1 H38902 [0,1,0,1,0,0|1,0,0]=3 462 B8R1.4 O=C1C[C@@H](O)CCN1 H41262 [0,1,0,1,0,0|1,0,0]=3 463 B8R1.18 CC1=C(C)OC(=O)O1 D39178 [0,1,0,1,0,0|0,0,2]=4 464 B8R1.18 CC1=CC(=O)C[C@@H]1C D43712 [0,1,0,1,0,0|1,0,1]=4 465 B8R1.18 CC1=CC(=O)O[C@@H]1O H32216 [0,1,0,1,0,0|1,0,1]=4 466 B8R1.18 CC1=CC(=O)[C@H](C)O1 D43303 [0,1,0,1,0,0|1,0,1]=4 467 B8R1.18 CN1C[C@@H](N)CC1=O A14746 [0,1,0,1,0,0|2,0,0]=4 468 B8R1.18 C[C@@H]1NC(=O)OC1=O M40162 [0,1,0,1,0,0|1,0,1]=4 469 B8R1.18 C[C@H]1CC(=O)OC1=O M41122 [0,1,0,1,0,0|0,0,1]=3 470 B8R1.40 COC(=O)CC1CC1 M11217 [0,1,0,1,0,0|2,0,0]=4 471 B8R1.40 O=C(CCl)NC1CC1 C41221 [0,1,0,1,0,0|2,0,0]=4 472 B8R1.51 C=C1COC(C)(C)O1 D8451 [0,1,0,1,0,0|2,0,0]=4 473 B8R1.51 CC1(C)CCC(=O)N1 D38848 [0,1,0,1,0,0|1,0,0]=3 474 B8R1.51 CC1(C)CCC(=O)O1 D41465 [0,1,0,1,0,0|0,0,0]=2 475 B8R1.51 CC1(C)CNC(=O)C1 D6966 [0,1,0,1,0,0|2,0,0]=4 476 B8R1.51 CC1(C)COC(=O)N1 D0615 [0,1,0,1,0,0|2,0,0]=4 477 B8R1.2 BrCC1=CCCCC1 B10308 [0,1,0,1,0,0|2,0,0]=4 478 B8R1.2 CCC1COCCN1 O5554 [0,1,0,1,0,0|1,0,1]=4 479 B8R1.2 CC[C@H]1COCCN1 E22377 [0,1,0,1,0,0|1,0,1]=4 480 B8R1.2 N#CC1=CCCCO1 D43135 [0,1,0,1,0,0|1,0,1]=4 481 B8R1.2 NO[C@@H]1CCCCO1 T24832 [0,1,0,1,0,0|0,0,2]=4 482 B8R1.2 O=CC1=CCCOC1 D43308 [0,1,0,1,0,0|2,0,0]=4 483 B8R1.2 O=CC1=COCCC1 D43307 [0,1,0,1,0,0|2,0,0]=4 484 B8R1.2 O=CN1CCCCC1 P68910 [0,1,0,1,0,0|2,0,0]=4 485 B8R1.2 OC[C@@H]1CCCCO1 X24024 [0,1,0,1,0,0|0,0,2]=4 486 B8R1.3 CC1=NNC(=O)CC1 M41199 [0,1,0,1,0,0|1,0,1]=4 487 B8R1.3 CC1CCC(=O)CC1 M39288 [0,1,0,1,0,0|1,0,0]=3 488 B8R1.3 CN1CCC(=O)CC1 M28326 [0,1,0,1,0,0|1,0,0]=3 489 B8R1.3 C[C@@H]1CNC(=O)CN1 M29571 [0,1,0,1,0,0|2,0,0]=4 490 B8R1.3 C[C@H]1CCC(=O)NC1 P23074 [0,1,0,1,0,0|1,0,0]=3 491 B8R1.3 C[C@H]1CNC(=O)CN1 M17917 [0,1,0,1,0,0|2,0,0]=4 492 B8R1.3 NC1CCC(=O)CC1 A38581 [0,1,0,1,0,0|1,0,0]=3 493 B8R1.3 N[C@H]1CCC(=O)NC1 A0587 [0,1,0,1,0,0|1,0,0]=3 494 B8R1.3 O=C1CCC(=O)NC1 P24057 [0,1,0,1,0,0|1,0,1]=4 495 B8R1.3 O=C1CCC(O)CC1 H18838 [0,1,0,1,0,0|1,0,0]=3 496 B8R1.3 O=C1CC[C@H](O)CN1 H22093 [0,1,0,1,0,0|1,0,0]=3 497 B8R1.3 O=C1COC(=O)CO1 D40112 [0,1,0,1,0,0|1,0,1]=4 498 B8R1.5 CN1CCNCC1=O M12652 [0,1,0,1,0,0|2,0,0]=4 499 B8R1.5 CN1CCNCC1=O M4395 [0,1,0,1,0,0|2,0,0]=4 500 B8R1.5 C[C@H]1CCCCC1=O M68370 [0,1,0,1,0,0|1,0,0]=3 501 B8R1.5 C[C@H]1CCCNC1=O P23372 [0,1,0,1,0,0|1,0,0]=3 502 B8R1.5 C[C@H]1CCNCC1=O M14887 [0,1,0,1,0,0|1,0,0]=3 503 B8R1.5 C[C@H]1CNCCC1=O M14880 [0,1,0,1,0,0|1,0,0]=3 504 B8R1.5 C[C@H]1CNCCC1=O M41497 [0,1,0,1,0,0|1,0,0]=3 505 B8R1.5 C[C@H]1COCCC1=O M11408 [0,1,0,1,0,0|1,0,0]=3 506 B8R1.5 NN1CCCCC1=O A41312 [0,1,0,1,0,0|1,0,0]=3 507 B8R1.5 N[C@@H]1CCCNC1=O A41314 [0,1,0,1,0,0|1,0,0]=3 508 B8R1.5 N[C@H]1CCCCC1=O A63504 [0,1,0,1,0,0|1,0,0]=3 509 B8R1.5 N[C@H]1CCCNC1=O A38933 [0,1,0,1,0,0|1,0,0]=3 510 B8R1.5 N[C@H]1CCCNC1=O A41313 [0,1,0,1,0,0|1,0,0]=3 511 B8R1.5 N[C@H]1CCCNC1=O A64847 [0,1,0,1,0,0|1,0,0]=3 512 B8R1.5 O=C1CCCC=C1Br B3408 [0,1,0,1,0,0|1,0,1]=4 513 B8R1.5 O=C1CCCCC1=O C67839 [0,1,0,1,0,0|1,0,0]=3 514 B8R1.5 O=C1CCNC[C@@H]1F F11694 [0,1,0,1,0,0|2,0,0]=4 515 B8R1.5 O=C1CCNC[C@@H]1F F13759 [0,1,0,1,0,0|2,0,0]=4 516 B8R1.5 O=C1CCOC[C@@H]1Br B7711 [0,1,0,1,0,0|2,0,0]=4 517 B8R1.5 O=C1CCOC[C@@H]1F F5739 [0,1,0,1,0,0|2,0,0]=4 518 B8R1.5 O=C1NCCC[C@@H]1Br B41219 [0,1,0,1,0,0|1,0,0]=3 519 B8R1.5 O=C1NCCC[C@@H]1O H36756 [0,1,0,1,0,0|1,0,0]=3 520 B8R1.22 O=C1C=CCCCC1 C67890 [0,1,0,1,0,0|1,0,0]=3 521 B8R1.22 O=C1CCCNCC1 H12307 [0,1,0,1,0,0|1,0,0]=3 522 B8R1.22 O=C1CCOCCN1 X16165 [0,1,0,1,0,0|1,0,0]=3 523 B8R1.22 O=C1CCSCCN1 T6235 [0,1,0,1,0,0|1,0,0]=3 524 B8R1.22 O=C1CNCCCN1 D38834 [0,1,0,1,0,0|1,0,0]=3 525 B8R1.38 COC(=O)C1CNC1 M5857 [0,1,0,1,0,0|2,0,0]=4 526 B8R1.38 COC(=O)C1COC1 M15764 [0,1,0,1,0,0|2,0,0]=4 527 B8R1.38 COC(=O)[C@@H]1CCN1 M11233 [0,1,0,1,0,0|2,0,0]=4 528 B8R1.38 COC(=O)[C@@H]1CCN1 M11611 [0,1,0,1,0,0|2,0,0]=4 529 B8R1.38 COC(=O)[C@H]1CCN1 M11612 [0,1,0,1,0,0|2,0,0]=4 530 B8R1.50 CC1C(=O)CCC1=O M25293 [0,1,0,1,0,0|1,0,1]=4 531 B8R1.50 O=C1OC[C@@H](O)[C@H]1O D40215 [0,1,0,1,0,0|1,0,0]=3 532 B8R1.19 CC1(C)CCNC1=O D13691 [0,1,0,1,0,0|1,0,0]=3 533 B8R1.19 O=C1NCCC1(F)F D29703 [0,1,0,1,0,0|2,0,0]=4 534 B8R1.37 CCOC(=O)C1CC1 E41463 [0,1,0,1,0,0|0,0,0]=2 535 B8R1.37 CCOC(=O)[C@@H]1CO1 E29853 [0,1,0,1,0,0|0,0,0]=2 536 B8R1.37 N#CCC(=O)C1CC1 C12507 [0,1,0,1,0,0|1,0,1]=4 537 B8R1.6 CCOC1CC(N)C1 E15188 [0,1,0,1,0,0|1,0,1]=4 538 B8R1.6 CCO[C@H]1C[C@@H](N)C1 E19476 [0,1,0,1,0,0|1,0,1]=4 539 B8R1.6 CCO[C@H]1C[C@H](N)C1 E15190 [0,1,0,1,0,0|1,0,1]=4 540 B8R1.8 BrCCC1OCCO1 B41267 [0,1,0,1,0,0|0,0,2]=4 541 B8R1.8 CCO[C@@H]1CCNC1 E13930 [0,1,0,1,0,0|1,0,1]=4 542 B8R1.8 CCO[C@H]1CCNC1 E14045 [0,1,0,1,0,0|1,0,1]=4 543 B8R1.8 NCC[C@H]1CCCO1 T1128 [0,1,0,1,0,0|1,0,1]=4 544 B8R1.11 CC[C@H]1CCCC1=O E43799 [0,1,0,1,0,0|1,0,0]=3 545 B8R1.11 O=C1CCC[C@@H]1CO H41464 [0,1,0,1,0,0|1,0,0]=3 546 B8R1.11 O=C1NCC[C@@H]1CO H13645 [0,1,0,1,0,0|1,0,0]=3 547 B8R1.39 COC(=O)C1(Br)CC1 M38537 [0,1,0,1,0,0|2,0,0]=4 548 B8R1.39 COC(=O)C1(N)CC1 M13766 [0,1,0,1,0,0|2,0,0]=4 549 B8R1.39 COC(=O)C1(N)CC1 M25083 [0,1,0,1,0,0|2,0,0]=4 550 B8R1.39 COC(=O)C1(O)CC1 M23123 [0,1,0,1,0,0|2,0,0]=4 551 B8R1.72 O=S1(=O)CCCCN1 T40268 [0,1,0,1,0,0|2,0,0]=4 552 B8R1.72 O=S1(=O)CCCCO1 B69155 [0,1,0,1,0,0|1,0,0]=3 553 B8R2.18 O=C1CC2CC2C1 B43299 [0,0,0,2,0,0|1,0,0]=3 554 B8R2.19 O=C1CCC12CC2 S22254 [0,0,0,2,0,0|1,0,0]=3