0 B6R0.1 C#CCC(=O)OC M41116 [0,0,0,0,0,0|1,0,1]=2 1 B6R0.1 CC#CC(=O)OC M62298 [0,0,0,0,0,0|1,0,1]=2 2 B6R0.1 CC=CC(=O)CC H41457 [0,0,0,0,0,0|2,0,1]=3 3 B6R0.1 CCC[C@@H](Cl)CC C63946 [0,0,0,0,0,0|3,0,1]=4 4 B6R0.1 CCOC(=O)C#N E15572 [0,0,0,0,0,0|4,0,0]=4 5 B6R0.1 CCOC(=O)CN G69291 [0,0,0,0,0,0|4,0,0]=4 6 B6R0.1 CCOC(=O)CO E37817 [0,0,0,0,0,0|4,0,0]=4 7 B6R0.1 CCOC(=O)NN E39139 [0,0,0,0,0,0|4,0,0]=4 8 B6R0.1 CCOC(=O)OC E40254 [0,0,0,0,0,0|2,0,0]=2 9 B6R0.1 CNC(=O)CC#N C40181 [0,0,0,0,0,0|3,0,0]=3 10 B6R0.1 CNC(=O)CCN A40306 [0,0,0,0,0,0|3,0,0]=3 11 B6R0.1 COC(=O)C#CBr M38132 [0,0,0,0,0,0|2,0,1]=3 12 B6R0.1 COC(=O)CC#N M68915 [0,0,0,0,0,0|2,0,0]=2 13 B6R0.1 COC(=O)CCBr M39155 [0,0,0,0,0,0|2,0,0]=2 14 B6R0.1 COC(=O)CCN M67902 [0,0,0,0,0,0|2,0,0]=2 15 B6R0.1 COC(=O)CCO M24551 [0,0,0,0,0,0|2,0,0]=2 16 B6R0.1 COC(=O)OCCl C62332 [0,0,0,0,0,0|3,0,0]=3 17 B6R0.1 COC(=O)\C=C/Br B3417 [0,0,0,0,0,0|2,0,1]=3 18 B6R0.1 COC(=O)\C=C/I I2748 [0,0,0,0,0,0|2,0,1]=3 19 B6R0.1 COC(=O)\C=C\I M40173 [0,0,0,0,0,0|2,0,1]=3 20 B6R0.1 COCC(=O)NN M39884 [0,0,0,0,0,0|2,1,0]=3 21 B6R0.1 CO[C@@H](C)CCO M68623 [0,0,0,0,0,0|3,0,1]=4 22 B5R0.1 C#CCC(=O)O B38084 [1,0,0,0,0,0|1,0,1]=3 23 B5R0.1 C=C(C)CON M40345 [1,0,0,0,0,0|2,1,0]=4 24 B5R0.1 C=C(C)OCC E5573 [1,0,0,0,0,0|3,0,0]=4 25 B5R0.1 CC#CC(=O)O B67945 [1,0,0,0,0,0|1,0,1]=3 26 B5R0.1 CC(=O)CC#N X40158 [1,0,0,0,0,0|2,0,0]=3 27 B5R0.1 CC(=O)CCCl C69539 [1,0,0,0,0,0|2,0,0]=3 28 B5R0.1 CCCB(O)O P5056 [1,0,0,0,0,0|2,0,1]=4 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(C)=N E68065 [1,0,0,0,0,0|3,0,0]=4 32 B5R0.1 CNCC(=O)O M68590 [1,0,0,0,0,0|1,0,0]=2 33 B5R0.1 CNCC(N)=O M68358 [1,0,0,0,0,0|2,0,0]=3 34 B5R0.1 COCC(=N)N M39928 [1,0,0,0,0,0|2,1,0]=4 35 B5R0.1 COCC(=O)O M69331 [1,0,0,0,0,0|0,1,0]=2 36 B5R0.1 COC[C@@H](C)N M40311 [1,0,0,0,0,0|1,1,1]=4 37 B5R0.1 COC[C@@H](C)O M39959 [1,0,0,0,0,0|0,1,2]=4 38 B5R0.1 COC[C@H](C)O M61064 [1,0,0,0,0,0|0,1,2]=4 39 B5R0.1 N#CCC(N)=O C60562 [1,0,0,0,0,0|3,0,0]=4 40 B5R0.1 NCCC(N)=O A67869 [1,0,0,0,0,0|3,0,0]=4 41 B5R0.1 NCC[P@H](=O)O A39788 [1,0,0,0,0,0|3,0,0]=4 42 B5R0.1 NOCC(=O)O C40302 [1,0,0,0,0,0|1,1,0]=3 43 B5R0.1 O=C(O)\C=C\Br B9431 [1,0,0,0,0,0|2,0,1]=4 44 B5R0.2 CCCCON B40310 [1,0,0,0,0,0|2,0,1]=4 45 B5R0.2 CNCCOC M23409 [1,0,0,0,0,0|1,0,1]=3 46 B5R0.2 COCCC#N M39153 [1,0,0,0,0,0|2,0,1]=4 47 B5R0.2 COCCCBr B68335 [1,0,0,0,0,0|2,0,1]=4 48 B5R0.2 COCCCO M69411 [1,0,0,0,0,0|2,0,1]=4 49 B5R0.3 C#CC(=O)OC M40108 [1,0,0,0,0,0|0,0,2]=3 50 B5R0.3 C=CC(=O)NC M37664 [1,0,0,0,0,0|1,0,2]=4 51 B5R0.3 CCC(=N)NO H39883 [1,0,0,0,0,0|3,0,0]=4 52 B5R0.3 CCC(=O)CN A32390 [1,0,0,0,0,0|2,0,0]=3 53 B5R0.3 CCC(=O)CO H36713 [1,0,0,0,0,0|1,1,0]=3 54 B5R0.3 CCC(N)CC P40440 [1,0,0,0,0,0|2,0,1]=4 55 B5R0.3 CNC(=O)CBr B60913 [1,0,0,0,0,0|2,0,0]=3 56 B5R0.3 CNC(=O)CCl C67921 [1,0,0,0,0,0|2,0,0]=3 57 B5R0.3 COC(=O)CN M69126 [1,0,0,0,0,0|1,0,0]=2 58 B5R0.3 COC(=O)CO M67586 [1,0,0,0,0,0|0,1,0]=2 59 B5R0.3 CO[C@@H](C)CN M40313 [1,0,0,0,0,0|2,0,1]=4 60 B5R0.3 CO[C@@H](C)CO M68380 [1,0,0,0,0,0|1,1,1]=4 61 B5R0.3 CO[C@H](C)CN M40312 [1,0,0,0,0,0|2,0,1]=4 62 B5R0.3 CO[C@H](C)CO M68381 [1,0,0,0,0,0|1,1,1]=4 63 B5R0.3 CSC(=N)NN M5959 [1,0,0,0,0,0|3,0,0]=4 64 B5R0.3 NNC(=O)CO H32091 [1,0,0,0,0,0|2,1,0]=4 65 B5R0.3 O=C(CCl)CCl D4849 [1,0,0,0,0,0|3,0,0]=4 66 B7R0.2 CCC(=O)CC(C)=O H69646 [0,1,0,0,0,0|2,0,0]=3 67 B7R0.2 CCC(=O)OC(C)=O A41227 [0,1,0,0,0,0|3,0,0]=4 68 B7R0.2 COC(=O)C=C(C)C M41461 [0,1,0,0,0,0|1,0,1]=3 69 B7R0.2 COC(=O)CC(=O)Cl M40174 [0,1,0,0,0,0|2,0,0]=3 70 B7R0.2 COC(=O)CC(=O)O M37882 [0,1,0,0,0,0|2,0,0]=3 71 B7R0.2 COC(=O)CC(=O)[O-] P67199 [0,1,0,0,0,0|2,0,0]=3 72 B7R0.2 COC(=O)C[C@@H](C)N M41333 [0,1,0,0,0,0|1,0,0]=2 73 B7R0.2 COC(=O)C[C@@H](C)O M68364 [0,1,0,0,0,0|1,0,0]=2 74 B7R0.2 COC(=O)C[C@H](C)O M37970 [0,1,0,0,0,0|1,0,0]=2 75 B7R0.2 COC(=O)\C=C(\C)N M68908 [0,1,0,0,0,0|1,0,1]=3 76 B7R0.3 CCCCC(=O)NN P40425 [0,1,0,0,0,0|3,0,0]=4 77 B7R0.3 CCCOC(=O)OC M40388 [0,1,0,0,0,0|1,0,0]=2 78 B7R0.3 CNCCC(=O)OC M40412 [0,1,0,0,0,0|1,0,0]=2 79 B7R0.3 COC(=N)CCCCl M40379 [0,1,0,0,0,0|2,0,0]=3 80 B7R0.3 COC(=O)C=CCBr M37461 [0,1,0,0,0,0|1,0,1]=3 81 B7R0.3 COC(=O)CCCBr M39189 [0,1,0,0,0,0|1,0,0]=2 82 B7R0.3 COC(=O)CCCCl M60517 [0,1,0,0,0,0|1,0,0]=2 83 B7R0.3 COC(=O)CCCN M32376 [0,1,0,0,0,0|1,0,0]=2 84 B7R0.3 COC(=O)CN=[N+]=[N-] M3461 [0,1,0,0,0,0|2,0,0]=3 85 B7R0.3 COC(=O)CNC=O M40228 [0,1,0,0,0,0|1,0,1]=3 86 B7R0.3 COC(=O)\C=C\CBr M41176 [0,1,0,0,0,0|1,0,1]=3 87 B7R0.3 COC=CC(=O)OC M39186 [0,1,0,0,0,0|0,1,1]=3 88 B7R0.3 CO\C=C\C(=O)OC M41228 [0,1,0,0,0,0|0,1,1]=3 89 B7R0.5 CC(C)C(=O)CC#N M43378 [0,1,0,0,0,0|3,0,0]=4 90 B7R0.5 CCOC(=O)C(C)=O E60800 [0,1,0,0,0,0|3,0,0]=4 91 B7R0.5 CCOC(=O)[C@@H](C)N A39194 [0,1,0,0,0,0|3,0,0]=4 92 B7R0.5 CCOC(=O)[C@@H](C)O E68607 [0,1,0,0,0,0|3,0,0]=4 93 B7R0.5 CCOC(=O)[C@H](C)F E41270 [0,1,0,0,0,0|3,0,0]=4 94 B7R0.5 CCOC(=O)[C@H](C)S E40385 [0,1,0,0,0,0|3,0,0]=4 95 B7R0.7 CC#CC(=O)OCC E36835 [0,1,0,0,0,0|1,0,1]=3 96 B7R0.7 CCNC(=O)NCC D40424 [0,1,0,0,0,0|3,0,0]=4 97 B7R0.7 CCOC(=O)CCBr E39188 [0,1,0,0,0,0|2,0,0]=3 98 B7R0.7 CCOC(=O)CCI E41273 [0,1,0,0,0,0|2,0,0]=3 99 B7R0.7 CCOC(=O)CCO E36682 [0,1,0,0,0,0|2,0,0]=3 100 B7R0.7 CCOC(=O)CNC S69399 [0,1,0,0,0,0|1,0,0]=2 101 B7R0.7 CCOC(=O)CNN E67459 [0,1,0,0,0,0|2,0,0]=3 102 B7R0.7 CCOC(=O)CSC E40386 [0,1,0,0,0,0|0,0,0]=1 103 B7R0.7 CCOC(=O)OCCl C38646 [0,1,0,0,0,0|2,0,0]=3 104 B7R0.7 CCOC(=O)[CH-]C=O E29890 [0,1,0,0,0,0|2,0,1]=4 105 B7R0.7 CCOC(=O)\C=C\I E41181 [0,1,0,0,0,0|2,0,1]=4 106 B7R0.7 COCC(=O)COC D40391 [0,1,0,0,0,0|0,1,0]=2 107 B7R0.7 COCC(N)COC D40447 [0,1,0,0,0,0|1,1,1]=4 108 B7R0.7 O=C(CCCl)CCCl D67616 [0,1,0,0,0,0|3,0,0]=4 109 B7R0.10 C=C(CBr)C(=O)OC M36843 [0,1,0,0,0,0|2,0,1]=4 110 B7R0.10 C=C(CO)C(=O)OC M7022 [0,1,0,0,0,0|2,0,1]=4 111 B7R0.10 CCC(=O)C(=O)CC H41459 [0,1,0,0,0,0|2,0,1]=4 112 B7R0.10 CCC(=O)N(C)OC M40411 [0,1,0,0,0,0|2,1,0]=4 113 B7R0.10 CC[C@@H](N)C(=O)OC M61982 [0,1,0,0,0,0|1,0,0]=2 114 B7R0.10 CC[C@H](Br)C(=O)OC M68973 [0,1,0,0,0,0|1,0,0]=2 115 B7R0.10 CC[C@H](N)C(=O)OC M40408 [0,1,0,0,0,0|1,0,0]=2 116 B7R0.10 CC[C@H](N)C(=O)OC M41330 [0,1,0,0,0,0|1,0,0]=2 117 B7R0.10 CC[C@H](N)C(=O)OC M41334 [0,1,0,0,0,0|1,0,0]=2 118 B7R0.10 CN[C@@H](C)C(=O)OC M62351 [0,1,0,0,0,0|1,0,0]=2 119 B7R0.10 COC(=O)C(=O)CBr M2726 [0,1,0,0,0,0|2,0,1]=4 120 B7R0.10 COC(=O)[C@@H](Br)CO M40234 [0,1,0,0,0,0|2,0,0]=3 121 B7R0.10 COC(=O)[C@@H](C)CBr M41268 [0,1,0,0,0,0|2,0,0]=3 122 B7R0.10 COC(=O)[C@@H](C)CO M25480 [0,1,0,0,0,0|2,0,0]=3 123 B7R0.10 COC(=O)[C@@H](Cl)CCl M69066 [0,1,0,0,0,0|2,0,0]=3 124 B7R0.10 COC(=O)[C@@H](F)CO M60918 [0,1,0,0,0,0|2,0,0]=3 125 B7R0.10 COC(=O)[C@@H](N)CO M68693 [0,1,0,0,0,0|2,0,0]=3 126 B7R0.10 COC(=O)[C@@H](N)CO S64541 [0,1,0,0,0,0|2,0,0]=3 127 B7R0.10 COC(=O)[C@@H](O)CN M61501 [0,1,0,0,0,0|2,0,0]=3 128 B7R0.10 COC(=O)[C@@H](O)CO M40259 [0,1,0,0,0,0|2,0,0]=3 129 B7R0.10 COC(=O)[C@H](C)CO M40393 [0,1,0,0,0,0|2,0,0]=3 130 B7R0.10 COC(=O)[C@H](N)CCl M69012 [0,1,0,0,0,0|2,0,0]=3 131 B7R0.10 COC(=O)[C@H](N)CS M69349 [0,1,0,0,0,0|2,0,0]=3 132 B7R0.10 COC(=O)[C@H](O)CO M40258 [0,1,0,0,0,0|2,0,0]=3 133 B7R0.12 COCC(OC)OC T40436 [0,1,0,0,0,0|0,1,2]=4 134 B7R1.1 COC1=CSC=C1 M41124 [0,0,0,1,0,0|1,0,2]=4 135 B7R1.1 COC1=NCCC1 M69559 [0,0,0,1,0,0|2,0,0]=3 136 B7R1.1 CO[C@@H]1CCNC1 M0200 [0,0,0,1,0,0|2,0,1]=4 137 B7R1.1 CO[C@@H]1CCNC1 M12251 [0,0,0,1,0,0|2,0,1]=4 138 B7R1.1 CO[C@H]1CCNC1 M1159 [0,0,0,1,0,0|2,0,1]=4 139 B7R1.1 CO[C@H]1CCNC1 M7459 [0,0,0,1,0,0|2,0,1]=4 140 B7R1.2 CC1=CC(=O)CC1 M22783 [0,0,0,1,0,0|2,0,1]=4 141 B7R1.2 CC1=NNC(=O)C1 M68628 [0,0,0,1,0,0|3,0,0]=4 142 B7R1.2 CN1CCC(=O)C1 M5444 [0,0,0,1,0,0|2,0,0]=3 143 B7R1.2 C[C@@H]1CNC(=O)C1 P22910 [0,0,0,1,0,0|2,0,0]=3 144 B7R1.2 C[C@@H]1COC(=O)N1 M32194 [0,0,0,1,0,0|2,0,0]=3 145 B7R1.2 C[C@H]1CCC(=O)N1 M61805 [0,0,0,1,0,0|3,0,0]=4 146 B7R1.2 C[C@H]1COC(=O)N1 M40226 [0,0,0,1,0,0|2,0,0]=3 147 B7R1.2 N[C@@H]1CNC(=O)C1 A11620 [0,0,0,1,0,0|3,0,0]=4 148 B7R1.2 N[C@@H]1CNC(=O)C1 A20556 [0,0,0,1,0,0|3,0,0]=4 149 B7R1.2 N[C@@H]1CNC(=O)C1 A24834 [0,0,0,1,0,0|3,0,0]=4 150 B7R1.2 N[C@@H]1CNC(=O)C1 P21713 [0,0,0,1,0,0|3,0,0]=4 151 B7R1.2 N[C@@H]1COC(=O)C1 A40337 [0,0,0,1,0,0|2,0,0]=3 152 B7R1.2 N[C@H]1CNC(=O)C1 A27147 [0,0,0,1,0,0|3,0,0]=4 153 B7R1.2 N[C@H]1COC(=O)C1 A37707 [0,0,0,1,0,0|2,0,0]=3 154 B7R1.2 O=C1C=C(Br)CO1 B3416 [0,0,0,1,0,0|2,0,1]=4 155 B7R1.2 O=C1CC(O)=CO1 H1405 [0,0,0,1,0,0|2,0,1]=4 156 B7R1.2 O=C1CCC(=O)C1 C13761 [0,0,0,1,0,0|3,0,0]=4 157 B7R1.2 O=C1CC[C@H](O)C1 H22750 [0,0,0,1,0,0|3,0,0]=4 158 B7R1.2 O=C1C[C@@H](O)CN1 H22487 [0,0,0,1,0,0|3,0,0]=4 159 B7R1.2 O=C1C[C@@H](S)CN1 M12154 [0,0,0,1,0,0|3,0,0]=4 160 B7R1.2 O=C1C[C@H](O)CN1 H15629 [0,0,0,1,0,0|3,0,0]=4 161 B7R1.2 O=C1C[C@H](O)CN1 H38056 [0,0,0,1,0,0|3,0,0]=4 162 B7R1.2 O=C1OC[C@H](F)O1 F39135 [0,0,0,1,0,0|3,0,0]=4 163 B7R1.3 CC1=CCCNC1 M12102 [0,0,0,1,0,0|3,0,0]=4 164 B7R1.3 C[C@@H]1CNCCO1 M15403 [0,0,0,1,0,0|2,0,1]=4 165 B7R1.3 C[C@@H]1CNCCO1 M28760 [0,0,0,1,0,0|2,0,1]=4 166 B7R1.3 C[C@H]1CNCCO1 M15401 [0,0,0,1,0,0|2,0,1]=4 167 B7R1.3 C[C@H]1CNCCO1 M15402 [0,0,0,1,0,0|2,0,1]=4 168 B7R1.3 C[C@H]1CNCCO1 M29509 [0,0,0,1,0,0|2,0,1]=4 169 B7R1.3 C[C@H]1CNCCO1 M41323 [0,0,0,1,0,0|2,0,1]=4 170 B7R1.3 O=C1C=CCCN1 D67780 [0,0,0,1,0,0|2,0,1]=4 171 B7R1.3 O=C1C=CCOC1 P26982 [0,0,0,1,0,0|1,1,1]=4 172 B7R1.3 O=C1CCCCN1 P69632 [0,0,0,1,0,0|2,0,0]=3 173 B7R1.3 O=C1CCCNC1 P1523 [0,0,0,1,0,0|2,0,0]=3 174 B7R1.3 O=C1CCCNC1 P31811 [0,0,0,1,0,0|2,0,0]=3 175 B7R1.3 O=C1CCCOC1 T7026 [0,0,0,1,0,0|1,1,0]=3 176 B7R1.3 O=C1CCCSC1 T1776 [0,0,0,1,0,0|1,0,0]=2 177 B7R1.3 O=C1CCNCC1 P23503 [0,0,0,1,0,0|3,0,0]=4 178 B7R1.3 O=C1CCOCC1 T4632 [0,0,0,1,0,0|3,0,0]=4 179 B7R1.3 O=C1CCSCC1 T6200 [0,0,0,1,0,0|3,0,0]=4 180 B7R1.3 O=C1CNCCN1 P10419 [0,0,0,1,0,0|2,0,0]=3 181 B7R1.3 O=C1COCCN1 M7700 [0,0,0,1,0,0|1,1,0]=3 182 B7R1.3 O=C1COCCO1 D38663 [0,0,0,1,0,0|0,1,0]=2 183 B7R1.3 O=C1CSCCN1 T40230 [0,0,0,1,0,0|1,0,0]=2 184 B7R1.3 O[C@@H]1CNCCO1 M40347 [0,0,0,1,0,0|1,0,2]=4 185 B7R1.4 CN1CCCC1=S M6872 [0,0,0,1,0,0|2,1,0]=4 186 B7R1.4 CN1CCNC1=O M40241 [0,0,0,1,0,0|3,0,0]=4 187 B7R1.4 CN1N=CCC1=O M40183 [0,0,0,1,0,0|3,0,0]=4 188 B7R1.4 C[C@@H]1OCCC1=O M41223 [0,0,0,1,0,0|3,0,0]=4 189 B7R1.4 C[C@H]1CCCC1=O M41458 [0,0,0,1,0,0|2,0,0]=3 190 B7R1.4 C[C@H]1CCNC1=O M41257 [0,0,0,1,0,0|3,0,0]=4 191 B7R1.4 C[C@H]1CCOC1=O M41224 [0,0,0,1,0,0|3,0,0]=4 192 B7R1.4 NN1CCCC1=O A22230 [0,0,0,1,0,0|3,0,0]=4 193 B7R1.8 O=C1CC[C@@H]1CO H13228 [0,0,0,1,0,0|3,0,0]=4 194 B7R1.22 CCC(=O)C1CC1 C24823 [0,0,0,1,0,0|2,0,0]=3 195 B7R1.22 NNC(=O)C1CC1 C7568 [0,0,0,1,0,0|3,0,0]=4 196 B7R1.25 COC1(C)CNC1 M0268 [0,0,0,1,0,0|2,0,1]=4 197 B4R0.1 CC(=O)CN A38843 [2,0,0,0,0,0|1,0,0]=3 198 B4R0.1 CC(=O)CO H60801 [2,0,0,0,0,0|0,1,0]=3 199 B4R0.1 CC(=O)NN A64932 [2,0,0,0,0,0|2,0,0]=4 200 B4R0.1 CCB(O)O E3108 [2,0,0,0,0,0|1,0,1]=4 201 B4R0.1 CCC(=N)N P39882 [2,0,0,0,0,0|2,0,0]=4 202 B4R0.1 CCC(=N)N P39927 [2,0,0,0,0,0|2,0,0]=4 203 B4R0.1 CCC(N)=O P68920 [2,0,0,0,0,0|1,0,0]=3 204 B4R0.1 CC[C@H](C)N B62608 [2,0,0,0,0,0|1,0,1]=4 205 B4R0.1 CC[S@](=O)[O-] S39781 [2,0,0,0,0,0|1,0,1]=4 206 B4R0.1 COC(=N)N M69240 [2,0,0,0,0,0|2,0,0]=4 207 B4R0.1 CSC(=N)N M60715 [2,0,0,0,0,0|2,0,0]=4 208 B4R0.1 NC(=O)CBr B39771 [2,0,0,0,0,0|2,0,0]=4 209 B4R0.1 NC(=O)CI K60849 [2,0,0,0,0,0|2,0,0]=4 210 B4R0.1 NC(=O)CO H68919 [2,0,0,0,0,0|1,1,0]=4 211 B4R0.1 NCC(N)=O G69255 [2,0,0,0,0,0|2,0,0]=4 212 B4R0.2 COCCBr B39138 [2,0,0,0,0,0|1,0,1]=4 213 B4R0.2 COCCI K39881 [2,0,0,0,0,0|1,0,1]=4 214 B4R0.2 CSCCN M62136 [2,0,0,0,0,0|1,0,1]=4 215 B6R0.2 CC(=O)C=C(C)N A41256 [1,1,0,0,0,0|1,0,1]=4 216 B6R0.2 CC(=O)NC(C)C P40402 [1,1,0,0,0,0|2,0,0]=4 217 B6R0.2 CC(=O)O[C@H](C)Br B40231 [1,1,0,0,0,0|2,0,0]=4 218 B6R0.2 CN(C)CC(=O)Cl D40251 [1,1,0,0,0,0|2,0,0]=4 219 B6R0.2 C[C@@H](N)CC(=O)O A37837 [1,1,0,0,0,0|1,0,0]=3 220 B6R0.2 C[C@@H](N)CC(=O)O A40348 [1,1,0,0,0,0|1,0,0]=3 221 B6R0.2 C[C@@H](O)CC(=O)[O-] S37350 [1,1,0,0,0,0|1,0,1]=4 222 B6R0.2 C[C@H](N)CC(=O)O A40265 [1,1,0,0,0,0|1,0,0]=3 223 B6R0.2 C[C@H](O)CC(=O)O H38871 [1,1,0,0,0,0|1,0,0]=3 224 B6R0.2 C[C@H](O)CC(=O)[O-] S40298 [1,1,0,0,0,0|1,0,1]=4 225 B6R0.3 C=C[C@H](C)C(=O)O M60559 [1,1,0,0,0,0|1,0,1]=4 226 B6R0.3 C=C[C@H](N)C(=O)O A40334 [1,1,0,0,0,0|1,0,1]=4 227 B6R0.3 CCN(C)C(C)=O E40404 [1,1,0,0,0,0|2,0,0]=4 228 B6R0.3 CC[C@@H](C)C(=O)O M40381 [1,1,0,0,0,0|1,0,0]=3 229 B6R0.3 CC[C@@H](N)C(N)=O A40305 [1,1,0,0,0,0|2,0,0]=4 230 B6R0.3 CC[C@H](N)C(=O)O A40349 [1,1,0,0,0,0|1,0,0]=3 231 B6R0.3 CC[C@H](N)C(=O)O A68376 [1,1,0,0,0,0|1,0,0]=3 232 B6R0.3 CC[C@H](N)C(N)=O A64477 [1,1,0,0,0,0|2,0,0]=4 233 B6R0.3 CC[C@H](O)C(=O)O H23105 [1,1,0,0,0,0|1,0,0]=3 234 B6R0.3 CN[C@@H](C)C(=O)O M68914 [1,1,0,0,0,0|1,0,0]=3 235 B6R0.3 CN[C@H](C)C(=O)O M63076 [1,1,0,0,0,0|1,0,0]=3 236 B6R0.3 CON(C)C(C)=O M3307 [1,1,0,0,0,0|1,1,0]=4 237 B6R0.3 CO[C@@H](C)C(=O)O M11053 [1,1,0,0,0,0|0,1,0]=3 238 B6R0.3 CO[C@@H](C)C(=O)O M69861 [1,1,0,0,0,0|0,1,0]=3 239 B6R0.3 CO[C@H](C)C(=O)O M8894 [1,1,0,0,0,0|0,1,0]=3 240 B6R0.3 C[C@H](CN)C(=O)O A40352 [1,1,0,0,0,0|2,0,0]=4 241 B6R0.3 NC[C@@H](O)C(=O)O A39878 [1,1,0,0,0,0|2,0,0]=4 242 B6R0.3 NC[C@H](N)C(=O)O D39929 [1,1,0,0,0,0|2,0,0]=4 243 B6R0.3 NC[C@H](O)C(=O)O S39877 [1,1,0,0,0,0|2,0,0]=4 244 B6R0.3 N[C@@H](CS)C(=O)O A39926 [1,1,0,0,0,0|2,0,0]=4 245 B6R0.3 N[C@H](CCl)C(=O)O A39869 [1,1,0,0,0,0|2,0,0]=4 246 B6R0.3 N[C@H](CCl)C(=O)O A63558 [1,1,0,0,0,0|2,0,0]=4 247 B6R0.3 N[C@H](CS)C(=O)O A37860 [1,1,0,0,0,0|2,0,0]=4 248 B6R0.3 N[C@H](CS)C(=O)O C67456 [1,1,0,0,0,0|2,0,0]=4 249 B6R0.3 N[C@H](CS)C(=O)O C69203 [1,1,0,0,0,0|2,0,0]=4 250 B6R0.3 O=C(O)[C@@H](Br)CBr D39848 [1,1,0,0,0,0|2,0,0]=4 251 B6R0.3 O=C(O)[C@@H](O)CO D38851 [1,1,0,0,0,0|2,0,0]=4 252 B6R0.4 C#CCCC(=O)O P68088 [1,1,0,0,0,0|1,0,1]=4 253 B6R0.4 C=CCCC(=O)O P37823 [1,1,0,0,0,0|1,0,1]=4 254 B6R0.4 CC(=O)CCCCl C68599 [1,1,0,0,0,0|1,0,0]=3 255 B6R0.4 CC(=O)NCCN A68626 [1,1,0,0,0,0|2,0,0]=4 256 B6R0.4 CC(=O)NCCO H68625 [1,1,0,0,0,0|2,0,0]=4 257 B6R0.4 CC(=O)OCCBr B67892 [1,1,0,0,0,0|2,0,0]=4 258 B6R0.4 CCCCC(=O)[O-] S38573 [1,1,0,0,0,0|1,0,1]=4 259 B6R0.4 CCCOC(N)=O P40264 [1,1,0,0,0,0|2,0,0]=4 260 B6R0.4 CNCCC(=O)O M40350 [1,1,0,0,0,0|1,0,0]=3 261 B6R0.4 COC=CC(C)=O M41222 [1,1,0,0,0,0|0,1,1]=4 262 B6R0.4 COCCC(=O)O M40255 [1,1,0,0,0,0|0,1,0]=3 263 B6R0.4 N#CCCC(=O)O C69146 [1,1,0,0,0,0|1,0,1]=4 264 B6R0.4 NCCCC(N)=O A40304 [1,1,0,0,0,0|2,0,0]=4 265 B6R0.4 O=C(O)CCCBr B39154 [1,1,0,0,0,0|1,0,0]=3 266 B6R0.4 O=C(O)CCCCl C40232 [1,1,0,0,0,0|1,0,0]=3 267 B6R0.4 O=C(O)\C=C\CBr B37272 [1,1,0,0,0,0|1,0,1]=4 268 B6R0.6 CC=CCCCO H41548 [1,1,0,0,0,0|2,0,0]=4 269 B6R0.6 CCC\C=C\CO H41550 [1,1,0,0,0,0|2,0,0]=4 270 B6R0.6 COCCCCBr B40422 [1,1,0,0,0,0|1,0,1]=4 271 B6R0.8 CCS(=O)(=O)OC M39889 [1,1,0,0,0,0|1,0,0]=3 272 B6R0.9 CCN(C=O)CC D68184 [1,1,0,0,0,0|2,0,0]=4 273 B6R0.9 COC(C=O)OC D38564 [1,1,0,0,0,0|0,1,1]=4 274 B8R0.2 COC(=O)C(=O)[C@H](C)Br B6543 [0,2,0,0,0,0|1,0,1]=4 275 B8R0.2 COC(=O)C(N)C(C)O M41339 [0,2,0,0,0,0|1,0,0]=3 276 B8R0.2 COC(=O)[C@@H](C)C(=O)O M38995 [0,2,0,0,0,0|2,0,0]=4 277 B8R0.2 COC(=O)[C@@H](C)C(C)=O M65039 [0,2,0,0,0,0|1,0,0]=3 278 B8R0.2 COC(=O)[C@@H](Cl)C(C)=O M41184 [0,2,0,0,0,0|1,0,0]=3 279 B8R0.2 COC(=O)[C@@H](N)C(C)=O M41375 [0,2,0,0,0,0|1,0,0]=3 280 B8R0.2 COC(=O)[C@@H](N)C(C)C M68320 [0,2,0,0,0,0|1,0,0]=3 281 B8R0.2 COC(=O)[C@@H](N)[C@@H](C)O T41338 [0,2,0,0,0,0|1,0,0]=3 282 B8R0.2 COC(=O)[C@@H](N)[C@H](C)O M41341 [0,2,0,0,0,0|1,0,0]=3 283 B8R0.2 COC(=O)[C@H](N)C(C)C M60727 [0,2,0,0,0,0|1,0,0]=3 284 B8R0.5 CC(C)OC(=O)OCCl C68871 [0,2,0,0,0,0|2,0,0]=4 285 B8R0.5 CC(C)OC(=O)OCI K62369 [0,2,0,0,0,0|2,0,0]=4 286 B8R0.5 CCOC(=O)CC(=O)[O-] P39163 [0,2,0,0,0,0|2,0,0]=4 287 B8R0.5 CCOC(=O)CC(N)=O E38643 [0,2,0,0,0,0|2,0,0]=4 288 B8R0.5 CCOC(=O)CC(N)=S E6802 [0,2,0,0,0,0|2,0,0]=4 289 B8R0.5 CCOC(=O)C[C@@H](C)O E64944 [0,2,0,0,0,0|1,0,0]=3 290 B8R0.5 CCOC(=O)C[C@H](C)N E43492 [0,2,0,0,0,0|1,0,0]=3 291 B8R0.5 CCOC(=O)C[C@H](C)N E61042 [0,2,0,0,0,0|1,0,0]=3 292 B8R0.5 COCC(=O)OC(C)C P65707 [0,2,0,0,0,0|0,1,0]=3 293 B8R0.19 CCC(=O)CC(=O)CC H43801 [0,2,0,0,0,0|2,0,0]=4 294 B8R0.19 CCC(=O)CC(=O)OC M39036 [0,2,0,0,0,0|1,0,0]=3 295 B8R0.19 CC[C@H](N)CC(=O)OC M43495 [0,2,0,0,0,0|1,0,0]=3 296 B8R0.19 CNC(C)=CC(=O)OC M41506 [0,2,0,0,0,0|1,0,1]=4 297 B8R0.19 COC(=O)CC(=O)CCl M61620 [0,2,0,0,0,0|1,0,0]=3 298 B8R0.19 COC(=O)CC(=O)OC D60836 [0,2,0,0,0,0|0,1,0]=3 299 B8R0.19 COC(=O)C[C@@H](O)CCl M41276 [0,2,0,0,0,0|1,0,0]=3 300 B8R0.19 COC(=O)\C=C(/C)OC M5601 [0,2,0,0,0,0|0,1,1]=4 301 B8R0.24 COC(=O)CC(C)(C)O M41558 [0,2,0,0,0,0|1,0,0]=3 302 B8R0.24 COC(=O)CS(=O)(=O)Cl M39862 [0,2,0,0,0,0|1,0,1]=4 303 B8R0.24 COC(=O)CS(C)(=O)=O M40262 [0,2,0,0,0,0|0,0,1]=3 304 B8R0.1 CCOC(=O)CCC#N E63052 [0,2,0,0,0,0|1,0,1]=4 305 B8R0.1 CCOC(=O)CCCBr B69333 [0,2,0,0,0,0|1,0,0]=3 306 B8R0.1 CCOC(=O)CCCI E31893 [0,2,0,0,0,0|1,0,0]=3 307 B8R0.1 CCOC(=O)CCCN E43487 [0,2,0,0,0,0|1,0,0]=3 308 B8R0.1 CCOC(=O)CCNC E41584 [0,2,0,0,0,0|1,0,0]=3 309 B8R0.1 CCOC(=O)CCSC E39202 [0,2,0,0,0,0|0,0,0]=2 310 B8R0.1 CCOC(=O)\C=C\CBr E43399 [0,2,0,0,0,0|1,0,1]=4 311 B8R0.1 CCOCC(=O)OCC E41554 [0,2,0,0,0,0|0,1,0]=3 312 B8R0.3 C=CC[C@H](N)C(=O)OC M37082 [0,2,0,0,0,0|1,0,1]=4 313 B8R0.3 CCC[C@@H](N)C(=O)OC M66692 [0,2,0,0,0,0|1,0,0]=3 314 B8R0.3 CCC[C@H](N)C(=O)OC M43489 [0,2,0,0,0,0|1,0,0]=3 315 B8R0.3 CCN[C@@H](C)C(=O)OC M32327 [0,2,0,0,0,0|1,0,0]=3 316 B8R0.3 CCOC(=O)C(=O)CC E67705 [0,2,0,0,0,0|1,0,1]=4 317 B8R0.3 CCOC(=O)[C@@H](Br)CBr E39185 [0,2,0,0,0,0|2,0,0]=4 318 B8R0.3 CCOC(=O)[C@@H](C)CC E43888 [0,2,0,0,0,0|1,0,0]=3 319 B8R0.3 CCOC(=O)[C@@H](N)CC E43491 [0,2,0,0,0,0|1,0,0]=3 320 B8R0.3 CCOC(=O)[C@@H](N)CO E69027 [0,2,0,0,0,0|2,0,0]=4 321 B8R0.3 CCOC(=O)[C@@H](N)CO S41337 [0,2,0,0,0,0|2,0,0]=4 322 B8R0.3 CCOC(=O)[C@@H](N)CS C64730 [0,2,0,0,0,0|2,0,0]=4 323 B8R0.3 CCOC(=O)[C@H](C)C#N E43380 [0,2,0,0,0,0|2,0,0]=4 324 B8R0.3 CCOC(=O)[C@H](N)CO E69611 [0,2,0,0,0,0|2,0,0]=4 325 B8R0.3 COC[C@@H](N)C(=O)OC M38225 [0,2,0,0,0,0|0,1,0]=3 326 B8R0.6 CCCC=CC(=O)OC M43802 [0,2,0,0,0,0|1,0,0]=3 327 B8R0.6 CNCCCC(=O)OC M43486 [0,2,0,0,0,0|1,0,0]=3 328 B8R0.6 COC(=O)CCCCBr M41523 [0,2,0,0,0,0|1,0,0]=3 329 B8R0.6 COC(=O)CCCCCl M63406 [0,2,0,0,0,0|1,0,0]=3 330 B8R0.6 COC(=O)CCCCN M43490 [0,2,0,0,0,0|1,0,0]=3 331 B8R0.6 COC(=O)COCCCl M41275 [0,2,0,0,0,0|0,1,0]=3 332 B8R0.6 COCCCC(=O)OC M68350 [0,2,0,0,0,0|0,1,0]=3 333 B8R0.8 CCCCC(=O)[C@H](C)N A46508 [0,2,0,0,0,0|2,0,0]=4 334 B8R0.9 COC(=O)CCC(=O)Cl C6883 [0,2,0,0,0,0|1,0,1]=4 335 B8R0.9 COC(=O)CCC(=O)O M37827 [0,2,0,0,0,0|1,0,1]=4 336 B8R0.9 COC(=O)NCC(=O)O M40229 [0,2,0,0,0,0|2,0,0]=4 337 B8R0.13 COC(=O)C(C)(C)C#N M43383 [0,2,0,0,0,0|2,0,0]=4 338 B8R0.13 COC(=O)C(C)(C)C=O M41471 [0,2,0,0,0,0|2,0,0]=4 339 B8R0.13 COC(=O)C(C)(C)CN M43502 [0,2,0,0,0,0|2,0,0]=4 340 B8R0.13 COC(=O)C(C)(C)CO M39204 [0,2,0,0,0,0|2,0,0]=4 341 B8R0.20 COC(=O)C(CN)CN M41391 [0,2,0,0,0,0|2,0,0]=4 342 B8R0.20 COC(=O)C(OC)OC M40396 [0,2,0,0,0,0|0,1,0]=3 343 B6R1.2 CC1=NCCC1 M41239 [1,0,0,1,0,0|2,0,0]=4 344 B6R1.2 O=C1C=CCC1 C26583 [1,0,0,1,0,0|1,0,1]=4 345 B6R1.2 O=C1C=CCO1 F5673 [1,0,0,1,0,0|1,0,1]=4 346 B6R1.2 O=C1CC=CC1 C19712 [1,0,0,1,0,0|1,0,1]=4 347 B6R1.2 O=C1CCNC1 P0198 [1,0,0,1,0,0|1,0,0]=3 348 B6R1.2 O=C1CCNN1 P39917 [1,0,0,1,0,0|2,0,0]=4 349 B6R1.2 O=C1CCOC1 X0391 [1,0,0,1,0,0|0,1,0]=3 350 B6R1.2 O=C1CCSC1 D10906 [1,0,0,1,0,0|0,0,0]=2 351 B6R1.5 CC1CC(=O)C1 M17286 [1,0,0,1,0,0|1,0,0]=3 352 B6R1.5 NC1CC(=O)C1 A0660 [1,0,0,1,0,0|2,0,0]=4 353 B6R1.5 O=C1CC(Br)C1 B8012 [1,0,0,1,0,0|2,0,0]=4 354 B6R1.5 O=C1CC(F)C1 F13109 [1,0,0,1,0,0|2,0,0]=4 355 B6R1.5 O=C1CC(O)C1 H10121 [1,0,0,1,0,0|2,0,0]=4 356 B6R1.10 CC1(N)CSC1 M30085 [1,0,0,1,0,0|1,0,1]=4 357 B6R1.10 CC1(O)CSC1 M29793 [1,0,0,1,0,0|0,0,2]=4 358 B6R1.11 O=C(O)C1CC1 C69104 [1,0,0,1,0,0|1,0,0]=3 359 B6R1.1 C1=CCNCC1 T0540 [1,0,0,1,0,0|2,0,0]=4 360 B6R1.1 C1=CCOCC1 D10810 [1,0,0,1,0,0|1,1,0]=4 361 B6R1.1 C1CCONC1 X13780 [1,0,0,1,0,0|2,0,0]=4 362 B6R1.1 C1CCONC1 X40342 [1,0,0,1,0,0|2,0,0]=4 363 B6R1.1 C1CSCCN1 T17901 [1,0,0,1,0,0|1,0,1]=4 364 B6R1.6 CNC1COC1 M5690 [1,0,0,1,0,0|1,0,1]=4 365 B6R1.6 COC1CNC1 M0107 [1,0,0,1,0,0|1,0,1]=4 366 B6R1.6 CSC1CNC1 M0303 [1,0,0,1,0,0|1,0,1]=4 367 B8R1.1 C=C[C@@H]1COC(=O)C1 V64256 [0,1,0,1,0,0|1,0,1]=4 368 B8R1.1 C=C[C@@H]1COC(=O)C1 V64417 [0,1,0,1,0,0|1,0,1]=4 369 B8R1.1 NC[C@@H]1CNC(=O)C1 A15732 [0,1,0,1,0,0|2,0,0]=4 370 B8R1.1 NC[C@@H]1CNC(=O)C1 A27672 [0,1,0,1,0,0|2,0,0]=4 371 B8R1.1 NC[C@@H]1CNC(=O)C1 A7263 [0,1,0,1,0,0|2,0,0]=4 372 B8R1.1 NC[C@H]1CNC(=O)C1 A18478 [0,1,0,1,0,0|2,0,0]=4 373 B8R1.1 NC[C@H]1CNC(=O)C1 A27671 [0,1,0,1,0,0|2,0,0]=4 374 B8R1.1 NC[C@H]1COC(=O)N1 A13336 [0,1,0,1,0,0|2,0,0]=4 375 B8R1.1 O=C1C=C(CBr)CO1 B31582 [0,1,0,1,0,0|1,0,1]=4 376 B8R1.1 O=C1C=C(CI)CO1 I6261 [0,1,0,1,0,0|1,0,1]=4 377 B8R1.1 O=C1C=C(CO)CO1 H1535 [0,1,0,1,0,0|1,0,1]=4 378 B8R1.1 O=C1C[C@H](CO)CN1 H14660 [0,1,0,1,0,0|2,0,0]=4 379 B8R1.1 O=C1N[C@@H](CI)CO1 K40211 [0,1,0,1,0,0|2,0,0]=4 380 B8R1.1 O=C1N[C@@H](CO)CO1 H62331 [0,1,0,1,0,0|2,0,0]=4 381 B8R1.4 CN1CCCC(=O)C1 M13651 [0,1,0,1,0,0|2,0,0]=4 382 B8R1.4 CN1CCNC(=O)C1 M6975 [0,1,0,1,0,0|2,0,0]=4 383 B8R1.4 CN1CCOC(=O)C1 M41260 [0,1,0,1,0,0|1,0,0]=3 384 B8R1.4 C[C@@H]1CC(=O)CCN1 M10735 [0,1,0,1,0,0|2,0,0]=4 385 B8R1.4 C[C@@H]1CC(=O)CCO1 M11329 [0,1,0,1,0,0|2,0,0]=4 386 B8R1.4 C[C@@H]1CNCC(=O)N1 M13313 [0,1,0,1,0,0|2,0,0]=4 387 B8R1.4 C[C@@H]1COCC(=O)N1 M17373 [0,1,0,1,0,0|1,1,0]=4 388 B8R1.4 C[C@H]1CC(=O)CCN1 M10734 [0,1,0,1,0,0|2,0,0]=4 389 B8R1.4 C[C@H]1CC(=O)CCN1 M19737 [0,1,0,1,0,0|2,0,0]=4 390 B8R1.4 C[C@H]1CC(=O)CCN1 M8156 [0,1,0,1,0,0|2,0,0]=4 391 B8R1.4 C[C@H]1CC(=O)CCO1 M11328 [0,1,0,1,0,0|2,0,0]=4 392 B8R1.4 C[C@H]1CC(=O)CCO1 M14197 [0,1,0,1,0,0|2,0,0]=4 393 B8R1.4 C[C@H]1CCCC(=O)N1 M23832 [0,1,0,1,0,0|2,0,0]=4 394 B8R1.4 C[C@H]1CCNC(=O)C1 M23793 [0,1,0,1,0,0|2,0,0]=4 395 B8R1.4 C[C@H]1CNCC(=O)N1 M11164 [0,1,0,1,0,0|2,0,0]=4 396 B8R1.4 N[C@H]1CCNC(=O)C1 A0054 [0,1,0,1,0,0|2,0,0]=4 397 B8R1.4 N[C@H]1CCNC(=O)C1 A37105 [0,1,0,1,0,0|2,0,0]=4 398 B8R1.4 O=C1CCCC(=O)C1 C38740 [0,1,0,1,0,0|2,0,0]=4 399 B8R1.4 O=C1CCNC(=O)C1 P7969 [0,1,0,1,0,0|2,0,0]=4 400 B8R1.4 O=C1COCC(=O)C1 P7984 [0,1,0,1,0,0|2,0,0]=4 401 B8R1.4 O=C1CSCC(=O)C1 T15232 [0,1,0,1,0,0|1,0,1]=4 402 B8R1.4 O=C1C[C@@H](O)CCN1 H38902 [0,1,0,1,0,0|2,0,0]=4 403 B8R1.4 O=C1C[C@@H](O)CCN1 H41262 [0,1,0,1,0,0|2,0,0]=4 404 B8R1.18 CC1=C(C)OC(=O)O1 D39178 [0,1,0,1,0,0|2,0,0]=4 405 B8R1.18 CC1=CC(=O)C[C@@H]1C D43712 [0,1,0,1,0,0|2,0,0]=4 406 B8R1.18 CC1=CC(=O)O[C@@H]1O H32216 [0,1,0,1,0,0|1,0,1]=4 407 B8R1.18 CC1=NN(C)C(=O)C1 D39183 [0,1,0,1,0,0|2,0,0]=4 408 B8R1.18 CN1C[C@@H](N)CC1=O A14746 [0,1,0,1,0,0|2,0,0]=4 409 B8R1.18 C[C@H]1CC(=O)OC1=O M41122 [0,1,0,1,0,0|1,0,1]=4 410 B8R1.40 COC(=O)CC1CC1 M11217 [0,1,0,1,0,0|1,0,0]=3 411 B8R1.51 CC1(C)CNC(=O)C1 D6966 [0,1,0,1,0,0|2,0,0]=4 412 B8R1.51 CC1(C)COC(=O)N1 D0615 [0,1,0,1,0,0|2,0,0]=4 413 B8R1.2 COC1=CCOCC1 M5825 [0,1,0,1,0,0|1,1,0]=4 414 B8R1.2 O=CC1=CCCOC1 D43308 [0,1,0,1,0,0|1,1,0]=4 415 B8R1.3 CC1CCC(=O)CC1 M39288 [0,1,0,1,0,0|2,0,0]=4 416 B8R1.3 CN1CCC(=O)CC1 M28326 [0,1,0,1,0,0|2,0,0]=4 417 B8R1.3 C[C@@H]1CNC(=O)CN1 M29571 [0,1,0,1,0,0|2,0,0]=4 418 B8R1.3 C[C@H]1CCC(=O)NC1 P23074 [0,1,0,1,0,0|2,0,0]=4 419 B8R1.3 C[C@H]1CNC(=O)CN1 M17917 [0,1,0,1,0,0|2,0,0]=4 420 B8R1.3 NC1CCC(=O)CC1 A38581 [0,1,0,1,0,0|2,0,0]=4 421 B8R1.3 N[C@H]1CCC(=O)NC1 A0587 [0,1,0,1,0,0|2,0,0]=4 422 B8R1.3 O=C1CCC(O)CC1 H18838 [0,1,0,1,0,0|2,0,0]=4 423 B8R1.3 O=C1CC[C@H](O)CN1 H22093 [0,1,0,1,0,0|2,0,0]=4 424 B8R1.3 O=C1COC(=O)CO1 D40112 [0,1,0,1,0,0|0,1,1]=4 425 B8R1.5 CN1CCNCC1=O M12652 [0,1,0,1,0,0|2,0,0]=4 426 B8R1.5 CN1CCNCC1=O M4395 [0,1,0,1,0,0|2,0,0]=4 427 B8R1.5 C[C@H]1CCCCC1=O M68370 [0,1,0,1,0,0|2,0,0]=4 428 B8R1.5 C[C@H]1CCCNC1=O P23372 [0,1,0,1,0,0|2,0,0]=4 429 B8R1.5 C[C@H]1CCNCC1=O M14887 [0,1,0,1,0,0|2,0,0]=4 430 B8R1.5 C[C@H]1CNCCC1=O M14880 [0,1,0,1,0,0|2,0,0]=4 431 B8R1.5 C[C@H]1CNCCC1=O M41497 [0,1,0,1,0,0|2,0,0]=4 432 B8R1.5 C[C@H]1COCCC1=O M11408 [0,1,0,1,0,0|1,1,0]=4 433 B8R1.5 NN1CCCCC1=O A41312 [0,1,0,1,0,0|2,0,0]=4 434 B8R1.5 N[C@@H]1CCCNC1=O A41314 [0,1,0,1,0,0|2,0,0]=4 435 B8R1.5 N[C@H]1CCCCC1=O A63504 [0,1,0,1,0,0|2,0,0]=4 436 B8R1.5 N[C@H]1CCCNC1=O A38933 [0,1,0,1,0,0|2,0,0]=4 437 B8R1.5 N[C@H]1CCCNC1=O A41313 [0,1,0,1,0,0|2,0,0]=4 438 B8R1.5 N[C@H]1CCCNC1=O A64847 [0,1,0,1,0,0|2,0,0]=4 439 B8R1.5 O=C1CCCCC1=O C67839 [0,1,0,1,0,0|2,0,0]=4 440 B8R1.5 O=C1NCCC[C@@H]1Br B41219 [0,1,0,1,0,0|2,0,0]=4 441 B8R1.5 O=C1NCCC[C@@H]1O H36756 [0,1,0,1,0,0|2,0,0]=4 442 B8R1.22 O=C1C=CCCCC1 C67890 [0,1,0,1,0,0|2,0,0]=4 443 B8R1.22 O=C1CCCNCC1 H12307 [0,1,0,1,0,0|2,0,0]=4 444 B8R1.22 O=C1CCOCCN1 X16165 [0,1,0,1,0,0|1,1,0]=4 445 B8R1.22 O=C1CCSCCN1 T6235 [0,1,0,1,0,0|1,0,0]=3 446 B8R1.22 O=C1CNCCCN1 D38834 [0,1,0,1,0,0|2,0,0]=4 447 B8R1.38 COC(=O)C1CNC1 M5857 [0,1,0,1,0,0|1,0,0]=3 448 B8R1.38 COC(=O)C1COC1 M15764 [0,1,0,1,0,0|0,1,0]=3 449 B8R1.38 COC(=O)[C@@H]1CCN1 M11233 [0,1,0,1,0,0|1,0,0]=3 450 B8R1.38 COC(=O)[C@@H]1CCN1 M11611 [0,1,0,1,0,0|1,0,0]=3 451 B8R1.38 COC(=O)[C@H]1CCN1 M11612 [0,1,0,1,0,0|1,0,0]=3 452 B8R1.50 CN1C(=O)CSC1=O M40160 [0,1,0,1,0,0|1,0,1]=4 453 B8R1.50 CN1C(=O)CSC1=S M29859 [0,1,0,1,0,0|1,0,1]=4 454 B8R1.50 O=C1OC[C@@H](O)[C@H]1O D40215 [0,1,0,1,0,0|2,0,0]=4 455 B8R1.37 CCOC(=O)C1CC1 E41463 [0,1,0,1,0,0|1,0,0]=3 456 B8R1.37 CCOC(=O)[C@@H]1CO1 E29853 [0,1,0,1,0,0|0,1,0]=3 457 B8R1.11 CC[C@H]1CCCC1=O E43799 [0,1,0,1,0,0|2,0,0]=4 458 B8R1.11 N#C[C@H]1COCC1=O F13819 [0,1,0,1,0,0|2,0,0]=4 459 B8R1.11 N#C[C@H]1CSCC1=O X13820 [0,1,0,1,0,0|1,0,1]=4 460 B8R1.11 O=C1CCC[C@@H]1CO H41464 [0,1,0,1,0,0|2,0,0]=4 461 B8R1.39 COC(=O)C1(Br)CC1 M38537 [0,1,0,1,0,0|1,0,0]=3 462 B8R1.39 COC(=O)C1(N)CC1 M13766 [0,1,0,1,0,0|1,0,0]=3 463 B8R1.39 COC(=O)C1(N)CC1 M25083 [0,1,0,1,0,0|1,0,0]=3 464 B8R1.39 COC(=O)C1(O)CC1 M23123 [0,1,0,1,0,0|1,0,0]=3 465 B8R1.72 O=S1(=O)CCCCO1 B69155 [0,1,0,1,0,0|2,0,0]=4 466 B8R2.18 O=C1CC2CC2C1 B43299 [0,0,0,2,0,0|2,0,0]=4 467 B8R2.19 O=C1CCC12CC2 S22254 [0,0,0,2,0,0|2,0,0]=4