0 B6R0.2 CC(=O)C=C(C)N A41256 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.2 CC(=O)NC(C)C P40402 [0,0,0,0,0,0|1,0,0]=1 2 B6R0.2 CC(=O)O[C@H](C)Br B40231 [0,0,0,0,0,0|1,0,0]=1 3 B6R0.2 CC(C)CB(O)O M4460 [0,0,0,0,0,0|3,0,1]=4 4 B6R0.2 CC(C)C[C@H](C)N M43511 [0,0,0,0,0,0|2,0,1]=3 5 B6R0.2 CC(C)NC(C)C D64760 [0,0,0,0,0,0|2,0,1]=3 6 B6R0.2 CN(C)CC(=O)Cl D40251 [0,0,0,0,0,0|3,0,0]=3 7 B6R0.2 CN(C)CC(N)=S D69472 [0,0,0,0,0,0|3,1,0]=4 8 B6R0.2 C[C@@H](N)CC(=O)O A37837 [0,0,0,0,0,0|3,0,0]=3 9 B6R0.2 C[C@@H](N)CC(=O)O A40348 [0,0,0,0,0,0|3,0,0]=3 10 B6R0.2 C[C@@H](O)CC(=O)[O-] S37350 [0,0,0,0,0,0|3,0,0]=3 11 B6R0.2 C[C@@H](O)C[C@@H](C)O P40432 [0,0,0,0,0,0|2,0,2]=4 12 B6R0.2 C[C@H](N)CC(=O)O A40265 [0,0,0,0,0,0|3,0,0]=3 13 B6R0.2 C[C@H](O)CC(=O)O H38871 [0,0,0,0,0,0|3,0,0]=3 14 B6R0.2 C[C@H](O)CC(=O)[O-] S40298 [0,0,0,0,0,0|3,0,0]=3 15 B6R0.2 C[C@H](O)C[C@H](C)O P40433 [0,0,0,0,0,0|2,0,2]=4 16 B5R0.1 C=C(C)OCC E5573 [1,0,0,0,0,0|1,0,0]=2 17 B5R0.1 C=CC[C@H](C)O P62507 [1,0,0,0,0,0|2,0,1]=4 18 B5R0.1 CC#CC(=O)O B67945 [1,0,0,0,0,0|2,0,1]=4 19 B5R0.1 CC#C[C@H](C)O B1790 [1,0,0,0,0,0|2,0,1]=4 20 B5R0.1 CC(=O)CC#N X40158 [1,0,0,0,0,0|2,0,1]=4 21 B5R0.1 CC(=O)CCCl C69539 [1,0,0,0,0,0|2,0,0]=3 22 B5R0.1 CC(C)CNN B40316 [1,0,0,0,0,0|3,0,0]=4 23 B5R0.1 CC(C)\C=N\O I2624 [1,0,0,0,0,0|2,0,1]=4 24 B5R0.1 CCC[C@@H](C)N P16023 [1,0,0,0,0,0|2,0,1]=4 25 B5R0.1 CCC[C@H](C)N P22363 [1,0,0,0,0,0|2,0,1]=4 26 B5R0.1 CCOC(=N)N E36845 [1,0,0,0,0,0|2,0,0]=3 27 B5R0.1 CCOC(=S)[S-] P69346 [1,0,0,0,0,0|1,1,0]=3 28 B5R0.1 CCOC(C)=N E68065 [1,0,0,0,0,0|1,0,0]=2 29 B5R0.1 CN(C)CC=O D39943 [1,0,0,0,0,0|2,0,0]=3 30 B5R0.1 CN(C)NC=O D66358 [1,0,0,0,0,0|2,0,0]=3 31 B5R0.1 CNCC(=O)O M68590 [1,0,0,0,0,0|3,0,0]=4 32 B5R0.1 CNCC(N)=O M68358 [1,0,0,0,0,0|3,0,0]=4 33 B5R0.1 COCC(=O)O M69331 [1,0,0,0,0,0|3,0,0]=4 34 B5R0.1 COC[C@@H](C)N M40311 [1,0,0,0,0,0|3,0,0]=4 35 B5R0.1 COC[C@@H](C)O M39959 [1,0,0,0,0,0|3,0,0]=4 36 B5R0.1 COC[C@H](C)O M61064 [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 B7R0.2 CC(C)C[C@@H](N)CO L41620 [0,1,0,0,0,0|2,0,1]=4 39 B7R0.2 CC(C)C[C@H](N)CO A68907 [0,1,0,0,0,0|2,0,1]=4 40 B7R0.2 CC(C)NC(=O)CCl P40378 [0,1,0,0,0,0|1,0,0]=2 41 B7R0.2 CC(C)OC(=O)CO I38145 [0,1,0,0,0,0|0,0,0]=1 42 B7R0.2 CC(C=O)=CN(C)C D41498 [0,1,0,0,0,0|2,0,0]=3 43 B7R0.2 CCC(=O)CC(C)=O H69646 [0,1,0,0,0,0|2,0,1]=4 44 B7R0.2 CCC(=O)OC(C)=O A41227 [0,1,0,0,0,0|1,0,1]=3 45 B7R0.2 CC[C@H](C)CC(=O)O M41552 [0,1,0,0,0,0|2,0,0]=3 46 B7R0.2 CC[C@H](N)CC(=O)O A69512 [0,1,0,0,0,0|3,0,0]=4 47 B7R0.2 COC(=O)C=C(C)C M41461 [0,1,0,0,0,0|1,0,1]=3 48 B7R0.2 COC(=O)C[C@@H](C)N M41333 [0,1,0,0,0,0|2,0,0]=3 49 B7R0.2 COC(=O)C[C@@H](C)O M68364 [0,1,0,0,0,0|2,0,0]=3 50 B7R0.2 COC(=O)C[C@H](C)O M37970 [0,1,0,0,0,0|2,0,0]=3 51 B7R0.2 COC(=O)\C=C(\C)N M68908 [0,1,0,0,0,0|2,0,1]=4 52 B7R0.2 C[C@H](CCl)CN(C)C C41612 [0,1,0,0,0,0|3,0,0]=4 53 B7R0.2 NC[C@@H](O)CC(=O)O A32052 [0,1,0,0,0,0|3,0,0]=4 54 B7R0.2 NC[C@H](O)CC(=O)O A67723 [0,1,0,0,0,0|3,0,0]=4 55 B7R0.2 N[C@@H](CO)CC(=O)O A38154 [0,1,0,0,0,0|3,0,0]=4 56 B7R0.9 CC(=O)O[Si](C)(C)C T40435 [0,1,0,0,0,0|0,1,0]=2 57 B7R0.9 CC(C)(C)OC(N)=O C10352 [0,1,0,0,0,0|1,0,0]=2 58 B7R0.9 CC(C)(N)CC(=O)O A40410 [0,1,0,0,0,0|2,0,0]=3 59 B7R0.9 CC(C)(O)CC(=O)[O-] C39647 [0,1,0,0,0,0|2,0,0]=3 60 B7R0.9 CC(C)CS(=O)(=O)Cl M40271 [0,1,0,0,0,0|3,0,0]=4 61 B7R0.9 CC(C)OS(C)(=O)=O P69616 [0,1,0,0,0,0|1,0,0]=2 62 B7R0.16 CC(C)C(=O)C(=O)[O-] S41304 [0,1,0,0,0,0|2,0,0]=3 63 B7R0.16 CC(C)C(N)C(C)C D46525 [0,1,0,0,0,0|2,0,1]=4 64 B7R0.16 CC(C)[C@@H](N)C(=O)O A60652 [0,1,0,0,0,0|2,0,0]=3 65 B7R0.16 CC(C)[C@@H](O)C(=O)O H64151 [0,1,0,0,0,0|2,0,0]=3 66 B7R0.16 CC(C)[C@H](N)C(=N)O V67982 [0,1,0,0,0,0|2,0,1]=4 67 B7R0.16 CC(C)[C@H](O)C(=O)O H40392 [0,1,0,0,0,0|2,0,0]=3 68 B7R0.16 CC(O)C(N)C(=O)O T61081 [0,1,0,0,0,0|3,0,0]=4 69 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O A67434 [0,1,0,0,0,0|3,0,0]=4 70 B7R0.16 C[C@@H](O)[C@H](N)C(N)=O A40309 [0,1,0,0,0,0|3,0,0]=4 71 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O A68604 [0,1,0,0,0,0|3,0,0]=4 72 B7R1.2 CC1=CC(=O)CC1 M22783 [0,0,0,1,0,0|1,0,1]=3 73 B7R1.2 CC1=CC(=O)CO1 M41117 [0,0,0,1,0,0|2,0,1]=4 74 B7R1.2 CC1=NN=C(C)O1 D13454 [0,0,0,1,0,0|2,0,1]=4 75 B7R1.2 CC1=NNC(=O)O1 M39837 [0,0,0,1,0,0|2,0,1]=4 76 B7R1.2 CN1CCC(=O)C1 M5444 [0,0,0,1,0,0|2,0,0]=3 77 B7R1.2 C[C@@H]1CC[C@@H](C)N1 D60301 [0,0,0,1,0,0|2,0,1]=4 78 B7R1.2 C[C@@H]1CNC(=O)C1 P22910 [0,0,0,1,0,0|2,0,0]=3 79 B7R1.2 C[C@@H]1COC(=O)N1 M32194 [0,0,0,1,0,0|2,0,0]=3 80 B7R1.2 C[C@H]1CCC(=O)N1 M61805 [0,0,0,1,0,0|1,0,0]=2 81 B7R1.2 C[C@H]1COC(=O)N1 M40226 [0,0,0,1,0,0|2,0,0]=3 82 B7R1.2 N[C@@H]1CNC(=O)C1 A11620 [0,0,0,1,0,0|3,0,0]=4 83 B7R1.2 N[C@@H]1CNC(=O)C1 A20556 [0,0,0,1,0,0|3,0,0]=4 84 B7R1.2 N[C@@H]1CNC(=O)C1 A24834 [0,0,0,1,0,0|3,0,0]=4 85 B7R1.2 N[C@@H]1CNC(=O)C1 P21713 [0,0,0,1,0,0|3,0,0]=4 86 B7R1.2 N[C@@H]1COC(=O)C1 A40337 [0,0,0,1,0,0|3,0,0]=4 87 B7R1.2 N[C@H]1CNC(=O)C1 A27147 [0,0,0,1,0,0|3,0,0]=4 88 B7R1.2 N[C@H]1COC(=O)C1 A37707 [0,0,0,1,0,0|3,0,0]=4 89 B7R1.2 O=C1CCC(=O)C1 C13761 [0,0,0,1,0,0|2,0,1]=4 90 B7R1.2 O=C1CC[C@H](O)C1 H22750 [0,0,0,1,0,0|2,0,0]=3 91 B7R1.2 O=C1CNC(=O)O1 X68377 [0,0,0,1,0,0|2,0,1]=4 92 B7R1.2 O=C1C[C@@H](O)CN1 H22487 [0,0,0,1,0,0|3,0,0]=4 93 B7R1.2 O=C1C[C@@H](S)CN1 M12154 [0,0,0,1,0,0|3,0,0]=4 94 B7R1.2 O=C1C[C@H](O)CN1 H15629 [0,0,0,1,0,0|3,0,0]=4 95 B7R1.2 O=C1C[C@H](O)CN1 H38056 [0,0,0,1,0,0|3,0,0]=4 96 B7R1.2 O=C1OC[C@H](F)O1 F39135 [0,0,0,1,0,0|2,0,0]=3 97 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O M59914 [0,0,0,1,0,0|2,0,0]=3 98 B7R1.12 C[C@@H]1C[C@H]1C(=O)O M24588 [0,0,0,1,0,0|2,0,0]=3 99 B7R1.12 C[C@H]1C[C@H]1C(=O)O M24546 [0,0,0,1,0,0|2,0,0]=3 100 B7R1.12 C[C@H]1C[C@H]1C(=O)O M59857 [0,0,0,1,0,0|2,0,0]=3 101 B7R1.12 O=C(O)C1CC1F F20460 [0,0,0,1,0,0|3,0,0]=4 102 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F F8695 [0,0,0,1,0,0|3,0,0]=4 103 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I K67056 [0,0,0,1,0,0|3,0,0]=4 104 B7R1.12 O=C(O)[C@@H]1C[C@H]1F F18516 [0,0,0,1,0,0|3,0,0]=4 105 B7R1.12 O=C(O)[C@@H]1C[C@H]1F F21701 [0,0,0,1,0,0|3,0,0]=4 106 B7R1.12 O=C(O)[C@H]1C[C@@H]1F F21702 [0,0,0,1,0,0|3,0,0]=4 107 B7R1.16 CC1(C)CC(N)C1 D18434 [0,0,0,1,0,0|2,0,1]=4 108 B7R1.16 CC1(C)CC(O)C1 D24163 [0,0,0,1,0,0|1,0,2]=4 109 B7R1.16 O=C1CC(F)(F)C1 D11667 [0,0,0,1,0,0|3,0,0]=4 110 B7R1.20 O=C(O)CC1CC1 C11216 [0,0,0,1,0,0|2,0,0]=3 111 B5R0.5 CC(=O)C(=O)[O-] C43424 [0,0,0,0,1,0|2,0,1]=4 112 B5R0.5 CC(C)B(O)O P39893 [0,0,0,0,1,0|2,0,1]=4 113 B5R0.5 CC(C)C(=N)N B40303 [0,0,0,0,1,0|2,0,0]=3 114 B5R0.5 CC(C)C(N)=O I4848 [0,0,0,0,1,0|1,0,0]=2 115 B5R0.5 CC(C)C(N)=S M3101 [0,0,0,0,1,0|1,1,0]=3 116 B5R0.5 CC(C)[S@](=O)[O-] S66891 [0,0,0,0,1,0|2,0,0]=3 117 B5R0.5 CC(O)C(=O)[O-] C60888 [0,0,0,0,1,0|2,0,0]=3 118 B5R0.5 CN(C)C(=S)Cl D8332 [0,0,0,0,1,0|2,1,0]=4 119 B5R0.5 CN(N)C(N)=O M1991 [0,0,0,0,1,0|3,0,0]=4 120 B5R0.5 C[C@@H](Cl)C(=O)O C60901 [0,0,0,0,1,0|2,0,0]=3 121 B5R0.5 C[C@@H](N)C(N)=O A69602 [0,0,0,0,1,0|2,0,0]=3 122 B5R0.5 C[C@@H](O)C(N)=O H68918 [0,0,0,0,1,0|2,0,0]=3 123 B5R0.5 C[C@@H](O)[C@@H](C)O B39957 [0,0,0,0,1,0|1,0,2]=4 124 B5R0.5 C[C@H](N)C(=O)O A39925 [0,0,0,0,1,0|2,0,0]=3 125 B5R0.5 C[C@H](N)C(=O)O A60902 [0,0,0,0,1,0|2,0,0]=3 126 B5R0.5 C[C@H](O)[C@H](C)O B39958 [0,0,0,0,1,0|1,0,2]=4 127 B7R0.6 CC(=O)CCC(C)=O H64912 [0,0,0,0,0,1|2,0,1]=4 128 B7R0.6 CC(=O)CNC(C)=O X41261 [0,0,0,0,0,1|2,0,1]=4 129 B7R0.6 CC(=O)NN=C(C)C A66607 [0,0,0,0,0,1|1,0,1]=3 130 B7R0.6 CC(=O)NNC(C)C P40426 [0,0,0,0,0,1|1,0,0]=2 131 B7R0.6 CC(=O)\C=C\N(C)C D68911 [0,0,0,0,0,1|2,0,0]=3 132 B7R0.6 CC(C)=NNC(N)=O P39156 [0,0,0,0,0,1|2,0,1]=4 133 B7R0.6 CN(C)CCC(=O)O D41335 [0,0,0,0,0,1|3,0,0]=4 134 B4R0.1 C=NN(C)C D66909 [2,0,0,0,0,0|2,0,0]=4 135 B4R0.1 CC(=O)CN A38843 [2,0,0,0,0,0|1,0,0]=3 136 B4R0.1 CC(=O)CO H60801 [2,0,0,0,0,0|1,0,0]=3 137 B4R0.1 CC(=O)NN A64932 [2,0,0,0,0,0|2,0,0]=4 138 B4R0.1 CC(C)=CBr B2881 [2,0,0,0,0,0|1,0,1]=4 139 B4R0.1 CC(C)NN P67395 [2,0,0,0,0,0|2,0,0]=4 140 B4R0.1 CC(C)NO P39934 [2,0,0,0,0,0|1,0,1]=4 141 B4R0.1 CC(C)ON P39935 [2,0,0,0,0,0|1,0,0]=3 142 B4R0.1 CCC(=N)N P39882 [2,0,0,0,0,0|2,0,0]=4 143 B4R0.1 CCC(=N)N P39927 [2,0,0,0,0,0|2,0,0]=4 144 B4R0.1 CCC(N)=O P68920 [2,0,0,0,0,0|1,0,0]=3 145 B4R0.1 CC[C@H](C)N B62608 [2,0,0,0,0,0|1,0,1]=4 146 B4R0.1 CC[S@](=O)[O-] S39781 [2,0,0,0,0,0|2,0,0]=4 147 B4R0.1 CNN(C)C T66359 [2,0,0,0,0,0|2,0,0]=4 148 B4R0.1 COC(=N)N M69240 [2,0,0,0,0,0|2,0,0]=4 149 B4R0.1 NC(=O)CBr B39771 [2,0,0,0,0,0|2,0,0]=4 150 B4R0.1 NC(=O)CI K60849 [2,0,0,0,0,0|2,0,0]=4 151 B4R0.1 NC(=O)CO H68919 [2,0,0,0,0,0|2,0,0]=4 152 B4R0.1 NCC(N)=O G69255 [2,0,0,0,0,0|2,0,0]=4 153 B6R0.1 C=C(OCC)[Zn]Cl E4486 [1,1,0,0,0,0|1,0,1]=4 154 B6R0.1 CC#CC(=O)OC M62298 [1,1,0,0,0,0|1,0,1]=4 155 B6R0.1 CC=CC(=O)CC H41457 [1,1,0,0,0,0|1,0,1]=4 156 B6R0.1 CCOC(=O)C#N E15572 [1,1,0,0,0,0|0,0,1]=3 157 B6R0.1 CCOC(=O)CN G69291 [1,1,0,0,0,0|0,0,0]=2 158 B6R0.1 CCOC(=O)CO E37817 [1,1,0,0,0,0|0,0,0]=2 159 B6R0.1 CCOC(=O)NN E39139 [1,1,0,0,0,0|1,0,0]=3 160 B6R0.1 CCOC(=O)OC E40254 [1,1,0,0,0,0|0,0,0]=2 161 B6R0.1 CCO\C(C)=N\O E68624 [1,1,0,0,0,0|0,0,1]=3 162 B6R0.1 CNC(=O)CCN A40306 [1,1,0,0,0,0|2,0,0]=4 163 B6R0.1 COC(=O)CCBr M39155 [1,1,0,0,0,0|2,0,0]=4 164 B6R0.1 COC(=O)CCN M67902 [1,1,0,0,0,0|2,0,0]=4 165 B6R0.1 COC(=O)CCO M24551 [1,1,0,0,0,0|2,0,0]=4 166 B6R0.1 COC(=O)OCCl C62332 [1,1,0,0,0,0|1,0,0]=3 167 B6R0.3 CCC(=O)C(=O)[O-] S40297 [1,1,0,0,0,0|2,0,0]=4 168 B6R0.3 CCN(C)C(=O)Cl E40250 [1,1,0,0,0,0|2,0,0]=4 169 B6R0.3 CCN(C)C(C)=O E40404 [1,1,0,0,0,0|1,0,0]=3 170 B6R0.3 CC[C@@H](C)C(=O)O M40381 [1,1,0,0,0,0|2,0,0]=4 171 B6R0.3 CC[C@@H](N)C(N)=O A40305 [1,1,0,0,0,0|2,0,0]=4 172 B6R0.3 CC[C@H](N)C(=O)O A40349 [1,1,0,0,0,0|2,0,0]=4 173 B6R0.3 CC[C@H](N)C(=O)O A68376 [1,1,0,0,0,0|2,0,0]=4 174 B6R0.3 CC[C@H](N)C(N)=O A64477 [1,1,0,0,0,0|2,0,0]=4 175 B6R0.3 CC[C@H](O)C(=O)O H23105 [1,1,0,0,0,0|2,0,0]=4 176 B6R0.3 CON(C)C(C)=O M3307 [1,1,0,0,0,0|2,0,0]=4 177 B6R0.4 CC(=O)CCCCl C68599 [1,1,0,0,0,0|1,0,0]=3 178 B6R0.4 CC(=O)NCCN A68626 [1,1,0,0,0,0|1,0,0]=3 179 B6R0.4 CC(=O)NCCO H68625 [1,1,0,0,0,0|1,0,0]=3 180 B6R0.4 CC(=O)OCCBr B67892 [1,1,0,0,0,0|0,0,0]=2 181 B6R0.4 CC(C)=CCCBr B0351 [1,1,0,0,0,0|2,0,0]=4 182 B6R0.4 CC(C)=CCC[Mg+] M31885 [1,1,0,0,0,0|2,0,0]=4 183 B6R0.4 CC(C)CCCO M67872 [1,1,0,0,0,0|1,0,1]=4 184 B6R0.4 CC(C)NCCCl C40431 [1,1,0,0,0,0|1,0,1]=4 185 B6R0.4 CC(C)OCCBr B69154 [1,1,0,0,0,0|0,0,1]=3 186 B6R0.4 CCCCC(=O)[O-] S38573 [1,1,0,0,0,0|2,0,0]=4 187 B6R0.4 CCCOC(N)=O P40264 [1,1,0,0,0,0|1,0,0]=3 188 B6R0.4 CN(C)\C=C\C=O D36904 [1,1,0,0,0,0|2,0,0]=4 189 B6R0.4 CNCCC(=O)O M40350 [1,1,0,0,0,0|2,0,0]=4 190 B6R0.4 COC=CC(C)=O M41222 [1,1,0,0,0,0|1,0,1]=4 191 B6R0.4 COCCC(=O)O M40255 [1,1,0,0,0,0|2,0,0]=4 192 B6R0.4 NCCCC(N)=O A40304 [1,1,0,0,0,0|2,0,0]=4 193 B6R0.4 O=C(O)CCCBr B39154 [1,1,0,0,0,0|2,0,0]=4 194 B6R0.4 O=C(O)CCCCl C40232 [1,1,0,0,0,0|2,0,0]=4 195 B6R0.5 C=CCC(C)(C)O M8263 [1,1,0,0,0,0|1,0,1]=4 196 B6R0.5 C=CO[Si](C)(C)C V40439 [1,1,0,0,0,0|0,1,1]=4 197 B6R0.5 CCOP(=O)(Cl)Cl E39780 [1,1,0,0,0,0|2,0,0]=4 198 B6R0.5 CNCC(C)(C)O M40445 [1,1,0,0,0,0|2,0,0]=4 199 B6R0.5 COCC(C)(C)O M40434 [1,1,0,0,0,0|2,0,0]=4 200 B6R0.7 CC(C)(Br)C(N)=O B38472 [0,1,0,0,1,0|1,0,0]=3 201 B6R0.7 CC(C)(C)C(=N)N P41342 [0,1,0,0,1,0|2,0,0]=4 202 B6R0.7 CC(C)(C)C(=O)[O-] P36605 [0,1,0,0,1,0|1,0,0]=3 203 B6R0.7 CC(C)(C)C(=O)[O-] S41305 [0,1,0,0,1,0|1,0,0]=3 204 B6R0.7 CC(C)(C)C(N)=O T40403 [0,1,0,0,1,0|1,0,0]=3 205 B6R0.7 CC(C)(C)C(N)=S D40417 [0,1,0,0,1,0|1,1,0]=4 206 B6R0.7 CC(C)(C)[S@@](N)=O B8185 [0,1,0,0,1,0|2,0,0]=4 207 B6R0.7 CC(C)(C)[S@@](N)=O M29758 [0,1,0,0,1,0|2,0,0]=4 208 B6R0.7 CC(C)(F)C(=O)O F60900 [0,1,0,0,1,0|1,0,0]=3 209 B6R0.7 CC(C)(O)C(N)=O H40266 [0,1,0,0,1,0|1,0,0]=3 210 B6R0.7 CC(C)S(N)(=O)=O P39892 [0,1,0,0,1,0|2,0,0]=4 211 B6R0.7 CC(F)(F)C(=O)O D39849 [0,1,0,0,1,0|2,0,0]=4 212 B6R0.7 C[C@@H](N)C(C)(C)C D23001 [0,1,0,0,1,0|1,0,1]=4 213 B8R0.9 CC(C)O\C=C(/Br)C=O B1138 [0,1,0,0,0,1|1,0,0]=3 214 B8R0.23 C=C(C)C(=O)NC(C)C P43839 [0,1,0,0,0,1|2,0,0]=4 215 B8R0.23 CC(=O)C(=O)OC(C)C P65400 [0,1,0,0,0,1|0,0,0]=2 216 B8R0.23 CC(C)C[C@@H](N)C(=O)O L64923 [0,1,0,0,0,1|2,0,0]=4 217 B8R0.23 CC(C)C[C@@H](O)C(=O)O H41559 [0,1,0,0,0,1|2,0,0]=4 218 B8R0.23 CC(C)C[C@H](Br)C(=O)O B41525 [0,1,0,0,0,1|2,0,0]=4 219 B8R0.23 CC(C)C[C@H](Br)C(=O)O B41526 [0,1,0,0,0,1|2,0,0]=4 220 B8R0.23 CC(C)C[C@H](O)C(=O)O H37072 [0,1,0,0,0,1|2,0,0]=4 221 B8R0.23 CC(C)OC(=O)[C@@H](C)N P66866 [0,1,0,0,0,1|1,0,1]=4 222 B8R0.23 CC(C)OC(=O)[C@H](C)N P39284 [0,1,0,0,0,1|1,0,1]=4 223 B8R0.23 CC(C)[C@@H](N)CC(=O)O A67729 [0,1,0,0,0,1|2,0,0]=4 224 B8R0.23 CC(C)[C@H](N)CC(=O)O A38977 [0,1,0,0,0,1|2,0,0]=4 225 B8R0.23 CC(C)[C@H](N)CC(=O)O A43501 [0,1,0,0,0,1|2,0,0]=4 226 B8R0.29 CC(C)(C)NCC(=O)O B43496 [0,1,0,0,0,1|2,0,0]=4 227 B8R0.29 CC(C)(C)OCC(=O)O B41556 [0,1,0,0,0,1|1,0,0]=3 228 B8R0.2 COC(=O)C(=O)[C@H](C)Br B6543 [0,2,0,0,0,0|2,0,0]=4 229 B8R0.2 COC(=O)C(N)C(C)O M41339 [0,2,0,0,0,0|2,0,0]=4 230 B8R0.2 COC(=O)[C@@H](N)C(C)C M68320 [0,2,0,0,0,0|1,0,0]=3 231 B8R0.2 COC(=O)[C@@H](N)[C@@H](C)O T41338 [0,2,0,0,0,0|2,0,0]=4 232 B8R0.2 COC(=O)[C@@H](N)[C@H](C)O M41341 [0,2,0,0,0,0|2,0,0]=4 233 B8R0.2 COC(=O)[C@H](N)C(C)C M60727 [0,2,0,0,0,0|1,0,0]=3 234 B8R0.2 CO[C@@H](C)[C@@H](N)C(=O)O A61564 [0,2,0,0,0,0|2,0,0]=4 235 B8R0.2 CO[C@H](C)[C@H](N)C(=O)O A68038 [0,2,0,0,0,0|2,0,0]=4 236 B8R0.5 CC(C)OC(=O)OCCl C68871 [0,2,0,0,0,0|0,0,0]=2 237 B8R0.5 CC(C)OC(=O)OCI K62369 [0,2,0,0,0,0|0,0,0]=2 238 B8R0.5 CC(C)OC(=O)\C=C/I P67231 [0,2,0,0,0,0|0,0,1]=3 239 B8R0.5 CCOC(=O)C[C@@H](C)O E64944 [0,2,0,0,0,0|2,0,0]=4 240 B8R0.5 CCOC(=O)C[C@H](C)N E43492 [0,2,0,0,0,0|2,0,0]=4 241 B8R0.5 CCOC(=O)C[C@H](C)N E61042 [0,2,0,0,0,0|2,0,0]=4 242 B8R0.5 COCC(=O)OC(C)C P65707 [0,2,0,0,0,0|0,0,0]=2 243 B8R0.16 COC(CC(C)=O)OC D39203 [0,2,0,0,0,0|1,0,0]=3 244 B8R0.19 CC[C@H](N)CC(=O)OC M43495 [0,2,0,0,0,0|2,0,0]=4 245 B8R0.19 CNC(C)=CC(=O)OC M41506 [0,2,0,0,0,0|1,0,1]=4 246 B8R0.19 COC(=O)C[C@@H](O)CCl M41276 [0,2,0,0,0,0|2,0,0]=4 247 B8R0.19 COC(=O)\C=C(/C)OC M5601 [0,2,0,0,0,0|1,0,1]=4 248 B8R0.24 C#CC(=O)OC(C)(C)C B43714 [0,2,0,0,0,0|0,0,1]=3 249 B8R0.24 CC(C)(C)OC(=O)CI B41529 [0,2,0,0,0,0|0,0,0]=2 250 B8R0.24 CC(C)(C)OC(=O)CN A38454 [0,2,0,0,0,0|0,0,0]=2 251 B8R0.24 CC(C)(C)OC(=O)CO H32095 [0,2,0,0,0,0|0,0,0]=2 252 B8R0.24 CC(C)(C)OC(=O)NN B12512 [0,2,0,0,0,0|1,0,0]=3 253 B8R0.24 CC(C)(C)OC(=O)NO H32224 [0,2,0,0,0,0|1,0,0]=3 254 B8R0.24 CC[C@H](C)OS(C)(=O)=O M20605 [0,2,0,0,0,0|1,0,0]=3 255 B8R0.24 CNC(=O)OC(C)(C)C B2974 [0,2,0,0,0,0|0,0,0]=2 256 B8R0.24 COC(=O)CC(C)(C)O M41558 [0,2,0,0,0,0|1,0,0]=3 257 B8R0.34 CC(C)(CN)CC(=O)O A60787 [0,2,0,0,0,0|2,0,0]=4 258 B8R0.34 CC(C)(CN)CC(=O)O A67050 [0,2,0,0,0,0|2,0,0]=4 259 B8R0.34 CCS(=O)(=O)OC(C)C P61641 [0,2,0,0,0,0|1,0,0]=3 260 B8R0.27 CC(C)(C)C(=O)C(=O)O D41469 [0,2,0,0,0,0|2,0,0]=4 261 B8R0.27 CC(C)(C)[C@H](N)C(=O)O A22282 [0,2,0,0,0,0|2,0,0]=4 262 B8R0.27 CC(C)(C)[C@H](N)C(=O)O A67484 [0,2,0,0,0,0|2,0,0]=4 263 B8R0.27 CC(C)(C)[C@H](N)C(N)=O A43510 [0,2,0,0,0,0|2,0,0]=4 264 B8R0.27 CC(C)(C)[C@H](O)C(=O)O H41560 [0,2,0,0,0,0|2,0,0]=4 265 B8R0.27 CC(C)(O)[C@@H](N)C(=O)O A40416 [0,2,0,0,0,0|2,0,0]=4 266 B8R0.27 CC(C)(S)[C@@H](N)C(=O)O A24088 [0,2,0,0,0,0|2,0,0]=4 267 B8R0.27 CC(C)(S)[C@H](N)C(=O)O A69092 [0,2,0,0,0,0|2,0,0]=4 268 B8R0.18 CC(C)[C@@H](CN)C(=O)O A41589 [0,2,0,0,0,0|2,0,0]=4 269 B8R0.18 CC(C)[C@H](CN)C(=O)O A41588 [0,2,0,0,0,0|2,0,0]=4 270 B8R0.18 CN[C@H](C(=O)O)C(C)C M60653 [0,2,0,0,0,0|2,0,0]=4 271 B8R0.37 CC(C)[C@@](C)(N)C(=O)O A41587 [0,2,0,0,0,0|2,0,0]=4 272 B8R0.37 CC(C)[C@](C)(N)C(=O)O A24143 [0,2,0,0,0,0|2,0,0]=4 273 B8R0.37 CC(C)[C@](C)(N)C(N)=O A39208 [0,2,0,0,0,0|2,0,0]=4 274 B6R1.2 CC1=NCCC1 M41239 [1,0,0,1,0,0|2,0,0]=4 275 B6R1.2 C[C@@H]1CCCN1 M23610 [1,0,0,1,0,0|1,0,1]=4 276 B6R1.2 C[C@@H]1CCNC1 M22540 [1,0,0,1,0,0|2,0,0]=4 277 B6R1.2 C[C@H]1CCCN1 M21836 [1,0,0,1,0,0|1,0,1]=4 278 B6R1.2 C[C@H]1CCCN1 M24199 [1,0,0,1,0,0|1,0,1]=4 279 B6R1.2 C[C@H]1CCCN1 M24435 [1,0,0,1,0,0|1,0,1]=4 280 B6R1.2 C[C@H]1CCNC1 M22012 [1,0,0,1,0,0|2,0,0]=4 281 B6R1.2 C[C@H]1CCNC1 M69520 [1,0,0,1,0,0|2,0,0]=4 282 B6R1.2 NC1=NCCC1 D38561 [1,0,0,1,0,0|2,0,0]=4 283 B6R1.2 O=C1C=CCC1 C26583 [1,0,0,1,0,0|1,0,1]=4 284 B6R1.2 O=C1C=CCO1 F5673 [1,0,0,1,0,0|0,0,2]=4 285 B6R1.2 O=C1CCNC1 P0198 [1,0,0,1,0,0|2,0,0]=4 286 B6R1.2 O=C1CCNN1 P39917 [1,0,0,1,0,0|2,0,0]=4 287 B6R1.2 O=C1CCOC1 X0391 [1,0,0,1,0,0|2,0,0]=4 288 B6R1.2 O=C1CCSC1 D10906 [1,0,0,1,0,0|2,0,0]=4 289 B6R1.2 O=C1NCCN1 K62398 [1,0,0,1,0,0|2,0,0]=4 290 B6R1.2 O=C1NCCS1 T39859 [1,0,0,1,0,0|1,1,0]=4 291 B6R1.3 CNCC1CC1 C25333 [1,0,0,1,0,0|2,0,0]=4 292 B6R1.3 O=CNC1CC1 C65862 [1,0,0,1,0,0|1,0,0]=3 293 B6R1.5 CC1CC(=O)C1 M17286 [1,0,0,1,0,0|1,0,0]=3 294 B6R1.5 NC1CC(=O)C1 A0660 [1,0,0,1,0,0|2,0,0]=4 295 B6R1.5 O=C1CC(Br)C1 B8012 [1,0,0,1,0,0|2,0,0]=4 296 B6R1.5 O=C1CC(F)C1 F13109 [1,0,0,1,0,0|2,0,0]=4 297 B6R1.5 O=C1CC(O)C1 H10121 [1,0,0,1,0,0|2,0,0]=4 298 B6R1.10 CC1(C)CNC1 D11454 [1,0,0,1,0,0|2,0,0]=4 299 B6R1.11 O=C(O)C1CC1 C69104 [1,0,0,1,0,0|2,0,0]=4 300 B6R1.4 C[C@@H]1OCC1=O M61882 [0,0,0,1,1,0|1,0,0]=3 301 B6R1.4 C[C@H]1COC1=O M6342 [0,0,0,1,1,0|1,0,0]=3 302 B6R1.4 N[C@@H]1CNC1=O A60450 [0,0,0,1,1,0|2,0,0]=4 303 B6R1.4 N[C@H]1CNC1=O A39918 [0,0,0,1,1,0|2,0,0]=4 304 B8R1.3 CC1=NNC(=O)CC1 M41199 [0,0,0,1,0,1|1,0,1]=4 305 B8R1.3 CC1CCC(=O)CC1 M39288 [0,0,0,1,0,1|1,0,0]=3 306 B8R1.3 CN1CCC(=O)CC1 M28326 [0,0,0,1,0,1|2,0,0]=4 307 B8R1.3 C[C@@H]1CNC(=O)CN1 M29571 [0,0,0,1,0,1|2,0,0]=4 308 B8R1.3 C[C@@H]1CO[C@H](C)CN1 D43484 [0,0,0,1,0,1|1,0,1]=4 309 B8R1.3 C[C@H]1CCC(=O)NC1 P23074 [0,0,0,1,0,1|1,0,0]=3 310 B8R1.3 C[C@H]1CNC(=O)CN1 M17917 [0,0,0,1,0,1|2,0,0]=4 311 B8R1.3 C[C@H]1CN[C@H](C)CO1 D41580 [0,0,0,1,0,1|1,0,1]=4 312 B8R1.3 C[C@H]1CO[C@@H](C)CN1 D43485 [0,0,0,1,0,1|1,0,1]=4 313 B8R1.3 NC1CCC(=O)CC1 A38581 [0,0,0,1,0,1|2,0,0]=4 314 B8R1.3 N[C@H]1CCC(=O)NC1 A0587 [0,0,0,1,0,1|2,0,0]=4 315 B8R1.3 O=C1CCC(O)CC1 H18838 [0,0,0,1,0,1|2,0,0]=4 316 B8R1.3 O=C1CC[C@H](O)CN1 H22093 [0,0,0,1,0,1|2,0,0]=4 317 B8R1.23 CC(=O)C1CC(O)C1 H22946 [0,0,0,1,0,1|2,0,0]=4 318 B8R1.23 CC(=O)N1CC(N)C1 A11253 [0,0,0,1,0,1|2,0,0]=4 319 B8R1.23 CC(=O)N1CC(O)C1 A15322 [0,0,0,1,0,1|2,0,0]=4 320 B8R1.23 CC1CC(C(=O)O)C1 M14949 [0,0,0,1,0,1|2,0,0]=4 321 B8R1.23 C[C@H]1C[C@@H](C(=O)O)C1 M10526 [0,0,0,1,0,1|2,0,0]=4 322 B8R1.23 C[C@H]1C[C@H](C(=O)O)C1 M10527 [0,0,0,1,0,1|2,0,0]=4 323 B8R1.35 O=C(O)\C=C\C1CC1 C29885 [0,0,0,1,0,1|2,0,0]=4 324 B8R1.51 C=C1COC(C)(C)O1 D8451 [0,0,0,1,0,1|0,0,2]=4 325 B8R1.51 CC1(C)CCC(=O)N1 D38848 [0,0,0,1,0,1|2,0,0]=4 326 B8R1.51 CC1(C)CCC(=O)O1 D41465 [0,0,0,1,0,1|2,0,0]=4 327 B8R1.51 CC1(C)CNC(=O)C1 D6966 [0,0,0,1,0,1|1,0,0]=3 328 B8R1.51 CC1(C)COC(=O)N1 D0615 [0,0,0,1,0,1|1,0,0]=3 329 B8R1.77 CC1(C)C[C@@H]1C(=O)O D19962 [0,0,0,1,0,1|2,0,0]=4 330 B8R1.77 CC1(C)C[C@@H]1C(=O)O D25255 [0,0,0,1,0,1|2,0,0]=4 331 B8R1.77 CC1(C)C[C@@H]1C(N)=O D68613 [0,0,0,1,0,1|2,0,0]=4 332 B8R1.1 COC1=CC(=O)CC1 M61379 [0,1,0,1,0,0|1,0,1]=4 333 B8R1.1 NC[C@@H]1CCC(=O)N1 A19938 [0,1,0,1,0,0|1,0,0]=3 334 B8R1.1 NC[C@@H]1CNC(=O)C1 A15732 [0,1,0,1,0,0|2,0,0]=4 335 B8R1.1 NC[C@@H]1CNC(=O)C1 A27672 [0,1,0,1,0,0|2,0,0]=4 336 B8R1.1 NC[C@@H]1CNC(=O)C1 A7263 [0,1,0,1,0,0|2,0,0]=4 337 B8R1.1 NC[C@@H]1CNC(=O)O1 A27512 [0,1,0,1,0,0|1,0,0]=3 338 B8R1.1 NC[C@H]1CCC(=O)N1 A64040 [0,1,0,1,0,0|1,0,0]=3 339 B8R1.1 NC[C@H]1CNC(=O)C1 A18478 [0,1,0,1,0,0|2,0,0]=4 340 B8R1.1 NC[C@H]1CNC(=O)C1 A27671 [0,1,0,1,0,0|2,0,0]=4 341 B8R1.1 NC[C@H]1CNC(=O)O1 A10733 [0,1,0,1,0,0|1,0,0]=3 342 B8R1.1 NC[C@H]1CNC(=O)O1 A21197 [0,1,0,1,0,0|1,0,0]=3 343 B8R1.1 NC[C@H]1COC(=O)N1 A13336 [0,1,0,1,0,0|2,0,0]=4 344 B8R1.1 O=C1CC[C@@H](CBr)N1 B41220 [0,1,0,1,0,0|1,0,0]=3 345 B8R1.1 O=C1CC[C@@H](CO)N1 H21817 [0,1,0,1,0,0|1,0,0]=3 346 B8R1.1 O=C1CC[C@@H](CO)O1 H41229 [0,1,0,1,0,0|0,0,0]=2 347 B8R1.1 O=C1CC[C@H](CBr)N1 B32099 [0,1,0,1,0,0|1,0,0]=3 348 B8R1.1 O=C1CC[C@H](CBr)O1 B66357 [0,1,0,1,0,0|0,0,0]=2 349 B8R1.1 O=C1CC[C@H](CI)N1 I2851 [0,1,0,1,0,0|1,0,0]=3 350 B8R1.1 O=C1CC[C@H](CI)O1 I2850 [0,1,0,1,0,0|0,0,0]=2 351 B8R1.1 O=C1CC[C@H](CO)N1 H24798 [0,1,0,1,0,0|1,0,0]=3 352 B8R1.1 O=C1CC[C@H](CO)N1 H7102 [0,1,0,1,0,0|1,0,0]=3 353 B8R1.1 O=C1CC[C@H](CO)O1 H5013 [0,1,0,1,0,0|0,0,0]=2 354 B8R1.1 O=C1C[C@H](CO)CN1 H14660 [0,1,0,1,0,0|2,0,0]=4 355 B8R1.1 O=C1NC[C@@H](CCl)O1 C40210 [0,1,0,1,0,0|1,0,0]=3 356 B8R1.1 O=C1NC[C@@H](CO)O1 H26969 [0,1,0,1,0,0|1,0,0]=3 357 B8R1.1 O=C1NC[C@H](CO)O1 H25217 [0,1,0,1,0,0|1,0,0]=3 358 B8R1.1 O=C1N[C@@H](CI)CO1 K40211 [0,1,0,1,0,0|2,0,0]=4 359 B8R1.1 O=C1N[C@@H](CO)CO1 H62331 [0,1,0,1,0,0|2,0,0]=4 360 B8R1.4 CN1CCCC(=O)C1 M13651 [0,1,0,1,0,0|2,0,0]=4 361 B8R1.4 CN1CCNC(=O)C1 M6975 [0,1,0,1,0,0|2,0,0]=4 362 B8R1.4 CN1CCOC(=O)C1 M41260 [0,1,0,1,0,0|2,0,0]=4 363 B8R1.4 C[C@@H]1CC(=O)CCN1 M10735 [0,1,0,1,0,0|1,0,0]=3 364 B8R1.4 C[C@@H]1CC(=O)CCO1 M11329 [0,1,0,1,0,0|1,0,0]=3 365 B8R1.4 C[C@@H]1CNCC(=O)N1 M13313 [0,1,0,1,0,0|1,0,0]=3 366 B8R1.4 C[C@@H]1COCC(=O)N1 M17373 [0,1,0,1,0,0|1,0,0]=3 367 B8R1.4 C[C@H]1CC(=O)CCN1 M10734 [0,1,0,1,0,0|1,0,0]=3 368 B8R1.4 C[C@H]1CC(=O)CCN1 M19737 [0,1,0,1,0,0|1,0,0]=3 369 B8R1.4 C[C@H]1CC(=O)CCN1 M8156 [0,1,0,1,0,0|1,0,0]=3 370 B8R1.4 C[C@H]1CC(=O)CCO1 M11328 [0,1,0,1,0,0|1,0,0]=3 371 B8R1.4 C[C@H]1CC(=O)CCO1 M14197 [0,1,0,1,0,0|1,0,0]=3 372 B8R1.4 C[C@H]1CCCC(=O)N1 M23832 [0,1,0,1,0,0|1,0,0]=3 373 B8R1.4 C[C@H]1CCNC(=O)C1 M23793 [0,1,0,1,0,0|1,0,0]=3 374 B8R1.4 C[C@H]1CNCC(=O)N1 M11164 [0,1,0,1,0,0|1,0,0]=3 375 B8R1.4 C[C@H]1CNC[C@@H](C)O1 D14096 [0,1,0,1,0,0|1,0,1]=4 376 B8R1.4 C[C@H]1CNC[C@H](C)O1 D22785 [0,1,0,1,0,0|1,0,1]=4 377 B8R1.4 C[C@H]1CNC[C@H](C)O1 D7921 [0,1,0,1,0,0|1,0,1]=4 378 B8R1.4 N[C@H]1CCNC(=O)C1 A0054 [0,1,0,1,0,0|2,0,0]=4 379 B8R1.4 N[C@H]1CCNC(=O)C1 A37105 [0,1,0,1,0,0|2,0,0]=4 380 B8R1.4 O=C1C[C@@H](O)CCN1 H38902 [0,1,0,1,0,0|2,0,0]=4 381 B8R1.4 O=C1C[C@@H](O)CCN1 H41262 [0,1,0,1,0,0|2,0,0]=4 382 B8R1.18 CC1=C(C)OC(=O)O1 D39178 [0,1,0,1,0,0|1,0,1]=4 383 B8R1.18 CC1=CC(=O)C[C@@H]1C D43712 [0,1,0,1,0,0|1,0,1]=4 384 B8R1.18 CC1=CC(=O)O[C@@H]1O H32216 [0,1,0,1,0,0|1,0,1]=4 385 B8R1.18 CC1=CC(=O)[C@H](C)O1 D43303 [0,1,0,1,0,0|1,0,1]=4 386 B8R1.18 CC1=NC(C)=C(C)O1 T43377 [0,1,0,1,0,0|1,0,1]=4 387 B8R1.18 CN1C[C@@H](N)CC1=O A14746 [0,1,0,1,0,0|2,0,0]=4 388 B8R1.18 C[C@H]1CC(=O)OC1=O M41122 [0,1,0,1,0,0|1,0,1]=4 389 B8R1.31 CC1NCC1C(=O)O M27890 [0,1,0,1,0,0|2,0,0]=4 390 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O A30118 [0,1,0,1,0,0|2,0,0]=4 391 B8R1.34 CC(=O)NC1CNC1 A1331 [0,1,0,1,0,0|1,0,0]=3 392 B8R1.34 CC(=O)OC1CNC1 A41259 [0,1,0,1,0,0|0,0,0]=2 393 B8R1.34 CC(=O)OC1CNC1 A43595 [0,1,0,1,0,0|0,0,0]=2 394 B8R1.34 CC(=O)SC1CNC1 T12525 [0,1,0,1,0,0|0,1,0]=3 395 B8R1.34 CC(C)OC1CNC1 A10108 [0,1,0,1,0,0|1,0,1]=4 396 B8R1.34 O=C(O)CC1CCC1 C24745 [0,1,0,1,0,0|2,0,0]=4 397 B8R1.34 O=C(O)CC1CNC1 A10213 [0,1,0,1,0,0|2,0,0]=4 398 B8R1.34 O=C(O)CC1COC1 X6649 [0,1,0,1,0,0|2,0,0]=4 399 B8R1.40 COC(=O)CC1CC1 M11217 [0,1,0,1,0,0|1,0,0]=3 400 B8R1.40 O=C(CCl)NC1CC1 C41221 [0,1,0,1,0,0|1,0,0]=3 401 B8R1.53 CC1(C)C[C@H](CBr)O1 B8433 [0,1,0,1,0,0|1,0,1]=4 402 B8R1.53 CC1(C)C[C@H](CN)O1 D8432 [0,1,0,1,0,0|1,0,1]=4 403 B8R1.53 CC1(C)C[C@H](CO)O1 D1980 [0,1,0,1,0,0|0,0,2]=4 404 B8R1.62 CC1(CO)CC(=O)C1 H20258 [0,1,0,1,0,0|1,0,0]=3 405 B8R1.54 N[C@@H](C(=O)O)C1CC1 A11037 [0,1,0,1,0,0|2,0,0]=4 406 B8R1.54 N[C@H](C(=O)O)C1CC1 A67725 [0,1,0,1,0,0|2,0,0]=4 407 B8R1.54 O=C(O)C(=O)C1CC1 C41121 [0,1,0,1,0,0|2,0,0]=4 408 B8R2.18 O=C1CC2CC2C1 B43299 [0,0,0,2,0,0|1,0,0]=3 409 B8R2.53 O=C1CC2(CC2)C1 S60485 [0,0,0,2,0,0|1,0,0]=3 410 B8R0.28 CC(=O)CCC=C(C)C M68353 [0,0,0,0,0,2|1,0,1]=4 411 B8R0.28 CC(=O)OCOC(C)=O M41231 [0,0,0,0,0,2|1,0,1]=4