0 B11R1.230 CC1=CC(CCCC)C(=O)N1 Amb25046774 [0,0,0,0,0,0|1,0,2]=3 1 B11R1.230 CC1=NN(CCCC)C(=O)S1 Amb25356028 [0,0,0,0,0,0|2,1,1]=4 2 B11R1.230 CC1=NN(CCNC)C(=O)O1 Amb24549444 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.230 CC1C=C(CCCO)C(=O)O1 Amb25222206 [0,0,0,0,0,0|1,0,0]=1 4 B11R1.230 CC1CC(=O)N(CCCBr)C1 Amb24635415 [0,0,0,0,0,0|3,0,1]=4 5 B11R1.230 CC1CC(=O)N(CCCN)C1 Amb25100180 [0,0,0,0,0,0|3,0,1]=4 6 B11R1.230 CC1CC(=O)N(CCCO)C1 Amb25049789 [0,0,0,0,0,0|3,0,1]=4 7 B11R1.230 CC1CC(CCCN)C(=O)O1 Amb25326812 [0,0,0,0,0,0|1,0,2]=3 8 B11R1.230 CC1CC(NCCO)C(=O)O1 Amb25285129 [0,0,0,0,0,0|2,0,2]=4 9 B11R1.230 CC1CC(SCCO)C(=O)O1 Amb24689052 [0,0,0,0,0,0|2,0,2]=4 10 B11R1.230 CCCCC1=CC(=O)OC1O Amb25356386 [0,0,0,0,0,0|1,0,3]=4 11 B11R1.230 CCCCC1=C[C@H](C)CC1=O Amb24646540 [0,0,0,0,0,0|1,0,0]=1 12 B11R1.230 CCCCC1CC(=O)OC1=O Amb22230364 [0,0,0,0,0,0|1,0,3]=4 13 B11R1.230 CCCCN1CC(C)N=C1N Amb25212088 [0,0,0,0,0,0|3,0,1]=4 14 B11R1.230 CCCCN1N=C(CC1=O)C Amb1154305 [0,0,0,0,0,0|3,0,1]=4 15 B11R1.230 CCCCc1[nH]c(C)cc1C Amb25733084 [0,0,0,0,0,0|3,0,1]=4 16 B11R1.230 CCCCc1[n]c(C)[s]c1C Amb25689207 [0,0,0,0,0,0|2,1,1]=4 17 B11R1.230 CCCCc1cc(C)[nH]c1C Amb25350382 [0,0,0,0,0,0|2,0,1]=3 18 B11R1.230 CCCCc1cc([*])[s]c1[*] Amb17933759 [0,0,0,0,0,0|2,1,1]=4 19 B11R1.230 CCC\C=C\1/CC(C)NC1=O Amb25189234 [0,0,0,0,0,0|1,0,2]=3 20 B11R1.230 CCNCc1cc(C)[nH]c1C Amb18243530 [0,0,0,0,0,0|3,0,1]=4 21 B11R1.230 CCNCc1cc(C)[s]c1C Amb18979047 [0,0,0,0,0,0|2,1,1]=4 22 B11R1.230 CCNCc1cn(nc1C)C Amb1953488 [0,0,0,0,0,0|4,0,0]=4 23 B11R1.230 CCSCc1cc(C)[s]c1C Amb24577652 [0,0,0,0,0,0|2,1,1]=4 24 B11R1.230 CNCCC1=CN(C)NC1=O Amb25364369 [0,0,0,0,0,0|3,0,0]=3 25 B11R1.230 CNCCN1CC(C)CC1=O Amb25692813 [0,0,0,0,0,0|3,0,1]=4 26 B11R1.230 CNCCc1cc(C)[nH]c1C Amb18893415 [0,0,0,0,0,0|3,0,1]=4 27 B11R1.230 COC\C=C/1\NC(C)OC1=O Amb24512026 [0,0,0,0,0,0|2,0,1]=3 28 B11R1.230 C[C@H]1C=C(CCC=O)C(=O)O1 Amb24381376 [0,0,0,0,0,0|1,0,1]=2 29 B11R1.230 C[C@H]1C=C(CCCO)C(=O)O1 Amb24577372 [0,0,0,0,0,0|1,0,0]=1 30 B11R1.230 C\C=C/CC1=CC(O)CC1=O Amb24476470 [0,0,0,0,0,0|2,0,2]=4 31 B11R1.230 Cc1[nH]c(C)cc1CCCN Amb18201221 [0,0,0,0,0,0|3,0,1]=4 32 B11R1.230 Cc1[nH]c(C)cc1CCCO Amb18243532 [0,0,0,0,0,0|3,0,1]=4 33 B11R1.230 Cc1[n][n](C)cc1CCCCl Amb24461330 [0,0,0,0,0,0|4,0,0]=4 34 B11R1.230 Cc1[n][n](C)cc1CCCN Amb18908447 [0,0,0,0,0,0|4,0,0]=4 35 B11R1.230 Cc1[n][n](C)cc1CCCO Amb24509884 [0,0,0,0,0,0|4,0,0]=4 36 B11R1.230 Cc1[n][n](C)cc1CCNC Amb24668837 [0,0,0,0,0,0|4,0,0]=4 37 B11R1.230 Cc1[n]c(CCCC)c(N)[s]1 Amb18985549 [0,0,0,0,0,0|2,1,1]=4 38 B11R1.230 Cc1[s]c(C)cc1CCCN Amb18908792 [0,0,0,0,0,0|2,1,1]=4 39 B11R1.230 Cc1[s]c(C)cc1CCNC Amb25327228 [0,0,0,0,0,0|2,1,1]=4 40 B11R1.230 Cc1c[n](CCCC)c(S)[n]1 Amb24380488 [0,0,0,0,0,0|2,1,1]=4 41 B10R1.16 BrCCCc1cnn(c1)C Amb10609137 [1,0,0,0,0,0|3,0,0]=4 42 B10R1.16 CCCC[n+]1c[n](C)cc1 Amb21858204 [1,0,0,0,0,0|3,0,0]=4 43 B10R1.16 CCCC[n+]1c[n](C)cc1 Amb22728700 [1,0,0,0,0,0|3,0,0]=4 44 B10R1.16 CCCC[n+]1c[n](C)cc1 Amb24323278 [1,0,0,0,0,0|3,0,0]=4 45 B10R1.16 CCCC[n+]1ccn(c1)C Amb10574183 [1,0,0,0,0,0|3,0,0]=4 46 B10R1.16 CCCC[n+]1ccn(c1)C Amb10807561 [1,0,0,0,0,0|3,0,0]=4 47 B10R1.16 CCCC[n]1c[n+](C)cc1 Amb19861238 [1,0,0,0,0,0|3,0,0]=4 48 B10R1.16 CCCC[n]1c[n+](C)cc1 Amb22001644 [1,0,0,0,0,0|3,0,0]=4 49 B10R1.16 CCCC[n]1c[n+](C)cc1 Amb22047335 [1,0,0,0,0,0|3,0,0]=4 50 B10R1.16 CCCC[n]1c[n+](C)cc1 Amb22047381 [1,0,0,0,0,0|3,0,0]=4 51 B10R1.16 CCCC[n]1c[n+](C)cc1 Amb22337396 [1,0,0,0,0,0|3,0,0]=4 52 B10R1.16 CCCC[n]1c[n+](C)cc1 Amb22337433 [1,0,0,0,0,0|3,0,0]=4 53 B10R1.16 CCCC[n]1c[n+](C)cc1 Amb22337434 [1,0,0,0,0,0|3,0,0]=4 54 B10R1.16 CCCC[n]1c[n+](C)cc1 Amb22337435 [1,0,0,0,0,0|3,0,0]=4 55 B10R1.16 CCCC[n]1c[n+](C)cc1 Amb22337437 [1,0,0,0,0,0|3,0,0]=4 56 B10R1.16 CCCC[n]1c[n+](C)cc1 Amb22339029 [1,0,0,0,0,0|3,0,0]=4 57 B10R1.16 CCCC[n]1c[n+](C)cc1 Amb22353776 [1,0,0,0,0,0|3,0,0]=4 58 B10R1.16 CCCC[n]1c[n+](C)cc1 Amb22411621 [1,0,0,0,0,0|3,0,0]=4 59 B10R1.16 CCCC[n]1c[n+](C)cc1 Amb24270971 [1,0,0,0,0,0|3,0,0]=4 60 B10R1.16 CCCC[n]1c[n+](C)cc1 Amb24323586 [1,0,0,0,0,0|3,0,0]=4 61 B10R1.16 CCCC[n]1c[n+](C)cc1 Amb24323624 [1,0,0,0,0,0|3,0,0]=4 62 B10R1.16 CCCCc1c[n][n](C)c1 Amb24730672 [1,0,0,0,0,0|2,0,0]=3 63 B10R1.16 CCCCc1c[s]c(Br)c1 Amb25180502 [1,0,0,0,0,0|1,1,1]=4 64 B10R1.16 CCCCc1cc(Br)o[n]1 Amb22546251 [1,0,0,0,0,0|2,0,1]=4 65 B10R1.16 CCCCc1cc(Cl)o[n]1 Amb22546257 [1,0,0,0,0,0|2,0,1]=4 66 B10R1.16 CCCCc1cc(O)o[n]1 Amb20672988 [1,0,0,0,0,0|2,0,1]=4 67 B10R1.16 CCCCc1ccc(s1)C Amb10807431 [1,0,0,0,0,0|2,0,1]=4 68 B10R1.16 CCNCc1c[n](C)cc1 Amb18562178 [1,0,0,0,0,0|3,0,0]=4 69 B10R1.16 CCNCc1cnn(c1)C Amb10609984 [1,0,0,0,0,0|3,0,0]=4 70 B10R1.16 CCNCc1cnn(c1)C Amb10610022 [1,0,0,0,0,0|3,0,0]=4 71 B10R1.16 CCOCc1cc(Br)oc1 Amb25837822 [1,0,0,0,0,0|2,0,1]=4 72 B10R1.16 CCSCc1c[n][n](C)c1 Amb24590874 [1,0,0,0,0,0|3,0,0]=4 73 B10R1.16 CNCCc1c[n](C)cc1 Amb18562095 [1,0,0,0,0,0|3,0,0]=4 74 B10R1.16 CNCCc1cnn(c1)C Amb15701685 [1,0,0,0,0,0|3,0,0]=4 75 B10R1.16 COCCc1c[n][n](C)c1 Amb22893516 [1,0,0,0,0,0|3,0,0]=4 76 B10R1.16 CSCCc1c[n][n](C)c1 Amb25323415 [1,0,0,0,0,0|3,0,0]=4 77 B10R1.16 C[n+]1cc[n](CCCC)c1 Amb21963202 [1,0,0,0,0,0|3,0,0]=4 78 B10R1.16 C[n]1cc(CCCCl)c[n]1 Amb19373067 [1,0,0,0,0,0|3,0,0]=4 79 B10R1.16 C[n]1cc(CCCN)c[n]1 Amb22279584 [1,0,0,0,0,0|3,0,0]=4 80 B10R1.16 C[n]1cc(CCCN)cc1 Amb18562123 [1,0,0,0,0,0|3,0,0]=4 81 B10R1.16 C[n]1cc(CCCO)cc1 Amb18223708 [1,0,0,0,0,0|3,0,0]=4 82 B10R1.16 Cc1[nH]cc(CCCC)[n]1 Amb24351557 [1,0,0,0,0,0|2,0,1]=4 83 B10R1.16 Cc1[n]c(CCCC)c[s]1 Amb25348683 [1,0,0,0,0,0|1,1,1]=4 84 B10R1.16 Cc1[n]c(CCCN)co1 Amb18831849 [1,0,0,0,0,0|2,0,1]=4 85 B10R1.16 Cc1c[nH]c(CCCC)c1 Amb25147477 [1,0,0,0,0,0|2,0,1]=4 86 B10R1.16 Cc1cc(CCCCl)c[s]1 Amb25312736 [1,0,0,0,0,0|1,1,1]=4 87 B10R1.16 Cc1cc(CCCN)c[nH]1 Amb18202991 [1,0,0,0,0,0|2,0,1]=4 88 B10R1.16 Cc1cc(CCCN)c[s]1 Amb24367192 [1,0,0,0,0,0|1,1,1]=4 89 B10R1.16 Cc1cc(CCCN)co1 Amb18832018 [1,0,0,0,0,0|1,0,1]=3 90 B10R1.16 Cc1cc(CCCO)c[s]1 Amb25797741 [1,0,0,0,0,0|1,1,1]=4 91 B10R1.16 Cc1cc(CNCC)[n]o1 Amb18293824 [1,0,0,0,0,0|2,0,1]=4 92 B10R1.16 Cc1cc(NCCC)[n]o1 Amb18302654 [1,0,0,0,0,0|2,0,1]=4 93 B10R1.16 Cc1ccc(CCCC)[nH]1 Amb25278176 [1,0,0,0,0,0|2,0,1]=4 94 B10R1.16 ClCCCc1cnn(c1)C Amb13953236 [1,0,0,0,0,0|3,0,0]=4 95 B10R1.16 ClCCCc1coc(Br)c1 Amb24504782 [1,0,0,0,0,0|2,0,1]=4 96 B10R1.16 NCCCc1cnn(c1)C Amb13952764 [1,0,0,0,0,0|3,0,0]=4 97 B10R1.16 NCCCc1coc(Br)c1 Amb25370396 [1,0,0,0,0,0|2,0,1]=4 98 B10R1.29 C#CCCC1=CCCC1=O Amb25320157 [1,0,0,0,0,0|1,0,2]=4 99 B10R1.29 CCCCC1=CCCC1=O Amb24361977 [1,0,0,0,0,0|1,0,0]=2 100 B10R1.29 CCCCC1=CCNC1=O Amb25836334 [1,0,0,0,0,0|1,0,0]=2 101 B10R1.29 CCCCC1=CCOC1=O Amb24637275 [1,0,0,0,0,0|0,0,0]=1 102 B10R1.29 CCCCC1CCCC1=O Amb19301037 [1,0,0,0,0,0|1,0,2]=4 103 B10R1.29 CCCCC1CCNC1=O Amb24424969 [1,0,0,0,0,0|1,0,2]=4 104 B10R1.29 CCCCC1N=COC1=O Amb24518667 [1,0,0,0,0,0|1,0,2]=4 105 B10R1.29 CCCCN1C=CNC1=O Amb25763197 [1,0,0,0,0,0|2,0,1]=4 106 B10R1.29 CCCCc1c[n]oc1Br Amb22546256 [1,0,0,0,0,0|2,0,0]=3 107 B10R1.29 CCCCc1c[s]cc1S Amb25301568 [1,0,0,0,0,0|2,1,0]=4 108 B10R1.29 CCCCc1cc[s]c1Br Amb19958946 [1,0,0,0,0,0|1,1,1]=4 109 B10R1.29 CCCCc1cocc1Cl Amb24743688 [1,0,0,0,0,0|3,0,0]=4 110 B10R1.29 CCC\C=C\1/CCNC1=O Amb25809228 [1,0,0,0,0,0|1,0,2]=4 111 B10R1.29 CCNCc1ccoc1Br Amb24443954 [1,0,0,0,0,0|2,0,1]=4 112 B10R1.29 CCNCc1ccoc1Cl Amb25141891 [1,0,0,0,0,0|2,0,1]=4 113 B10R1.29 CCN\C=C\1/CCOC1=O Amb24479009 [1,0,0,0,0,0|1,0,2]=4 114 B10R1.29 CCO\C=C/1\CCOC1=O Amb24480991 [1,0,0,0,0,0|1,0,2]=4 115 B10R1.29 CC\C=C\C1=CCCC1=O Amb24708870 [1,0,0,0,0,0|1,0,2]=4 116 B10R1.29 CNCCC1=CONC1=O Amb25174353 [1,0,0,0,0,0|3,0,0]=4 117 B10R1.29 CNCCC1C=NOC1=O Amb24741993 [1,0,0,0,0,0|2,0,1]=4 118 B10R1.29 CNCCN1CCOC1=O Amb18990889 [1,0,0,0,0,0|2,0,1]=4 119 B10R1.29 CNCCN1CCOC1=O Amb20629670 [1,0,0,0,0,0|2,0,1]=4 120 B10R1.29 COCCC1CCOC1=O Amb23538244 [1,0,0,0,0,0|1,0,2]=4 121 B10R1.29 Cc1c[nH]cc1CCCC Amb24380934 [1,0,0,0,0,0|3,0,0]=4 122 B10R1.29 Cc1o[n]cc1CCCN Amb18984896 [1,0,0,0,0,0|3,0,0]=4 123 B10R1.29 Cc1o[n]cc1CNCC Amb18979750 [1,0,0,0,0,0|3,0,0]=4 124 B10R1.29 Cc1occc1CCCN Amb18832013 [1,0,0,0,0,0|2,0,1]=4 125 B10R1.29 Cc1occc1CSCC Amb24741945 [1,0,0,0,0,0|2,0,1]=4 126 B10R1.29 N#CCCC1=CCCC1=O Amb25347468 [1,0,0,0,0,0|2,0,1]=4 127 B10R1.29 NCCCC1=CNNC1=O Amb25191422 [1,0,0,0,0,0|3,0,0]=4 128 B10R1.29 NCCCC1=CNOC1=O Amb24479140 [1,0,0,0,0,0|2,0,0]=3 129 B10R1.29 NCCCC1=CONC1=O Amb25174354 [1,0,0,0,0,0|3,0,0]=4 130 B10R1.29 NCCCC1C=NOC1=O Amb19515739 [1,0,0,0,0,0|2,0,1]=4 131 B10R1.29 NCCNC1=CCSC1=O Amb24482139 [1,0,0,0,0,0|2,1,0]=4 132 B10R1.29 Nc1o[n]cc1CCCO Amb25802226 [1,0,0,0,0,0|3,0,0]=4 133 B10R1.29 O=C/1OCC\C1=C\CCBr Amb25266409 [1,0,0,0,0,0|1,0,2]=4 134 B10R1.29 O=C1CCC=C1CCCCl Amb24751350 [1,0,0,0,0,0|2,0,0]=3 135 B10R1.29 O=C1OCCC1CCCCl Amb24524522 [1,0,0,0,0,0|1,0,2]=4 136 B10R1.29 O=C1OCCN1CCCS Amb24660388 [1,0,0,0,0,0|2,0,1]=4 137 B10R1.130 CC1C=C(CC=O)C(=O)O1 Amb25318917 [1,0,0,0,0,0|1,0,1]=3 138 B10R1.130 CC1CC(=O)C(CC=C)=C1 Amb25059754 [1,0,0,0,0,0|1,0,2]=4 139 B10R1.130 CC1CC(=O)C(CCC)O1 Amb25714277 [1,0,0,0,0,0|2,0,1]=4 140 B10R1.130 CC1CC(CCO)C(=O)O1 Amb25120088 [1,0,0,0,0,0|1,0,2]=4 141 B10R1.130 CC1CN(CCN)C(=O)O1 Amb25083261 [1,0,0,0,0,0|2,0,1]=4 142 B10R1.130 CC1C\C(=C/CBr)\C(=O)O1 Amb25274578 [1,0,0,0,0,0|1,0,2]=4 143 B10R1.130 CCCc1cc(C)[nH]c1C Amb17672342 [1,0,0,0,0,0|2,0,1]=4 144 B10R1.130 CCOC1=CC(=O)OC1=O Amb23556175 [1,0,0,0,0,0|2,0,1]=4 145 B10R1.130 CN1C=C(CCN)C(=O)N1 Amb25223297 [1,0,0,0,0,0|3,0,0]=4 146 B10R1.130 C[C@@H]1CC(CCO)C(=O)O1 Amb25187325 [1,0,0,0,0,0|1,0,2]=4 147 B10R1.130 C[C@H]1C=C(CCO)C(=O)O1 Amb24748362 [1,0,0,0,0,0|1,0,0]=2 148 B10R1.130 C[C@H]1CC(CCO)C(=O)O1 Amb24431731 [1,0,0,0,0,0|1,0,2]=4 149 B10R1.130 C[C@H]1CN(CCCl)C(=O)O1 Amb24726097 [1,0,0,0,0,0|2,0,1]=4 150 B10R1.130 C[C@H]1C[C@@H](CCO)C(=O)O1 Amb25219235 [1,0,0,0,0,0|1,0,2]=4 151 B10R1.130 Cc1oc(C)cc1CCN Amb18832019 [1,0,0,0,0,0|2,0,1]=4 152 B12R1.313 CC1CC(C(=O)CCC)C(=O)O1 Amb23455752 [0,1,0,0,0,0|0,0,3]=4 153 B12R1.313 CCCC(=O)c1cc(C)oc1C Amb18798554 [0,1,0,0,0,0|1,0,2]=4 154 B12R1.313 CCCC(Br)c1cc(C)[s]c1C Amb24415915 [0,1,0,0,0,0|1,1,1]=4 155 B12R1.313 CCCC(Cl)c1cc(C)[s]c1C Amb25789102 [0,1,0,0,0,0|1,1,1]=4 156 B12R1.313 CCCC(N)c1cc(C)oc1C Amb18293658 [0,1,0,0,0,0|1,0,1]=3 157 B12R1.313 CCCC(O)C1=CC(=C)OC1=O Amb25357680 [0,1,0,0,0,0|0,0,2]=3 158 B12R1.313 CCCC(O)c1cc(C)[s]c1C Amb19057652 [0,1,0,0,0,0|1,1,1]=4 159 B12R1.313 CCC[C@@H](N)c1cc(C)[s]c1C Amb24657258 [0,1,0,0,0,0|1,1,1]=4 160 B12R1.313 CCC[C@H](N)c1cc(C)[s]c1C Amb24488501 [0,1,0,0,0,0|1,1,1]=4 161 B12R1.313 CCOC(N)=C1CC(C)OC1=O Amb24595789 [0,1,0,0,0,0|1,0,2]=4 162 B12R1.313 COCC(O)c1cc(C)oc1C Amb25241245 [0,1,0,0,0,0|2,0,1]=4 163 B12R1.313 COC[C@@H](N)c1cc(C)oc1C Amb24488665 [0,1,0,0,0,0|2,0,1]=4 164 B12R1.313 COC[C@H](N)c1cc(C)oc1C Amb24733915 [0,1,0,0,0,0|2,0,1]=4 165 B12R1.313 C[C@@H]1C=C([C@H](O)CCC)C(=O)O1 Amb24620898 [0,1,0,0,0,0|0,0,0]=1 166 B12R1.313 Cc1[n][n](C)cc1C(Cl)CCC Amb25796688 [0,1,0,0,0,0|3,0,0]=4 167 B12R1.313 Cc1[n][n](C)cc1C(N)CCC Amb25844919 [0,1,0,0,0,0|3,0,0]=4 168 B12R1.313 Cc1[n][n](C)cc1C(O)CCC Amb25319027 [0,1,0,0,0,0|3,0,0]=4 169 B12R1.313 Cc1oc(C)cc1C(C)CCN Amb18981396 [0,1,0,0,0,0|2,0,1]=4 170 B12R1.313 Cc1oc(C)cc1C(O)CCN Amb22643215 [0,1,0,0,0,0|2,0,1]=4 171 B12R1.313 Cc1oc(C)cc1[C@H](N)CCO Amb24392561 [0,1,0,0,0,0|2,0,1]=4 172 B12R1.377 CCCCC1=CC(C)(C)CC1=O Amb25767814 [0,1,0,0,0,0|1,0,0]=2 173 B12R1.377 CCCCN1SC(C)(C)CC1=O Amb24654118 [0,1,0,0,0,0|3,0,0]=4 174 B12R1.378 CCCCN1CC(CC1=O)CN Amb17077353 [0,1,0,0,0,0|2,0,1]=4 175 B12R1.378 CCCCN1CC(OC1=O)CN Amb17077248 [0,1,0,0,0,0|1,0,1]=3 176 B12R1.378 COCCN1CC(OC1=O)CN Amb17077254 [0,1,0,0,0,0|2,0,1]=4 177 B12R1.379 CC1=C\C(=C\CCC)\C(=O)C1C Amb24690711 [0,1,0,0,0,0|1,0,2]=4 178 B12R1.456 CCCC\C=C/1\CC(C)OC1=O Amb25291003 [0,1,0,0,0,0|0,0,1]=2 179 B12R1.456 CCCC\C=C\1/NC(=O)OC1=O Amb24658278 [0,1,0,0,0,0|2,0,1]=4 180 B12R1.456 CCNCCc1cc(C)[nH]c1C Amb18893540 [0,1,0,0,0,0|2,0,1]=4 181 B12R1.456 CC\C=C/CC1=C[C@@H](O)CC1=O Amb25052998 [0,1,0,0,0,0|2,0,1]=4 182 B12R1.456 CNCCCc1cc(C)[nH]c1C Amb18893539 [0,1,0,0,0,0|2,0,1]=4 183 B12R1.456 Cc1[nH]c(C)cc1CCCCN Amb18827433 [0,1,0,0,0,0|2,0,1]=4 184 B12R1.456 Cc1[n][n](C)cc1CCCCN Amb18826890 [0,1,0,0,0,0|3,0,0]=4 185 B12R1.456 Cc1oc(C)cc1CNCCN Amb23538329 [0,1,0,0,0,0|2,0,1]=4 186 B12R1.532 CC1CC(=O)N(C1)CC(O)CC Amb24404083 [0,1,0,0,0,0|2,0,1]=4 187 B12R1.532 CC1CC(CC(=O)CC)C(=O)O1 Amb24737345 [0,1,0,0,0,0|0,0,3]=4 188 B12R1.532 CC1CN(CC(O)CC)C(=O)O1 Amb25346440 [0,1,0,0,0,0|1,0,1]=3 189 B12R1.532 CCC(C)NC1CC(C)OC1=O Amb25098275 [0,1,0,0,0,0|1,0,2]=4 190 B12R1.532 CCC(C)SC1CC(C)OC1=O Amb25295921 [0,1,0,0,0,0|1,0,2]=4 191 B12R1.532 CCC(N)Cc1cc(C)[s]c1C Amb18979052 [0,1,0,0,0,0|1,1,1]=4 192 B12R1.532 CCN(C)Cc1cc(C)oc1C Amb25822180 [0,1,0,0,0,0|2,0,1]=4 193 B12R1.532 Cc1[n][n](C)cc1CC(N)CC Amb18826868 [0,1,0,0,0,0|3,0,0]=4 194 B12R1.861 CC(=O)CCN1CC(C)OC1=O Amb25142652 [0,1,0,0,0,0|1,0,2]=4 195 B12R1.861 Cc1[nH]c(C)cc1CCC(C)N Amb18893541 [0,1,0,0,0,0|2,0,1]=4 196 B12R1.861 Cc1[nH]c(C)cc1CCC(C)O Amb25723521 [0,1,0,0,0,0|2,0,1]=4 197 B12R1.861 Cc1[n][n](C)cc1CCC(C)Br Amb25171986 [0,1,0,0,0,0|3,0,0]=4 198 B12R1.861 Cc1[n][n](C)cc1CCC(C)N Amb25036354 [0,1,0,0,0,0|3,0,0]=4 199 B12R1.861 Cc1[n][n](C)cc1CCC(C)O Amb24720745 [0,1,0,0,0,0|3,0,0]=4 200 B12R1.1624 CC1CC(=O)N(CCCBr)C1=O Amb25063329 [0,1,0,0,0,0|3,0,0]=4 201 B12R1.1624 CC1CC(=O)N(CCCCl)C1=O Amb18317271 [0,1,0,0,0,0|3,0,0]=4 202 B12R1.1624 CC1CC(=O)N(CCCN)C1=O Amb18987840 [0,1,0,0,0,0|3,0,0]=4 203 B12R1.1624 CC1CC(=O)N(CCCO)C1=O Amb18789427 [0,1,0,0,0,0|3,0,0]=4 204 B12R1.1624 CC1NC(=O)N(CCCN)C1=O Amb18198626 [0,1,0,0,0,0|3,0,0]=4 205 B12R1.1624 CC1OC(=O)C(CCCC)C1=O Amb24621700 [0,1,0,0,0,0|0,0,1]=2 206 B12R1.1624 CC1OC(=O)\C(=C/CCC)\C1O Amb25763881 [0,1,0,0,0,0|0,0,2]=3 207 B12R1.1624 CC=1C(O)CC(=O)C1CCCC Amb25205757 [0,1,0,0,0,0|2,0,0]=3 208 B12R1.1624 CC=1CC(C)C(=O)C1CCCC Amb24378368 [0,1,0,0,0,0|2,0,0]=3 209 B12R1.1624 CC=1CC(O)C(=O)C1CCCC Amb25370581 [0,1,0,0,0,0|3,0,0]=4 210 B12R1.1624 CC=1ON(C)C(=O)C1CCCC Amb25220125 [0,1,0,0,0,0|2,0,0]=3 211 B12R1.1624 CCCCC1C(=O)OC(=O)C1=O Amb24364090 [0,1,0,0,0,0|1,0,2]=4 212 B12R1.1624 CCCCN1C(=O)CC(C)C1=O Amb24441869 [0,1,0,0,0,0|2,0,0]=3 213 B12R1.1624 CCCCN1C(=O)CC(Cl)C1=O Amb24726348 [0,1,0,0,0,0|3,0,0]=4 214 B12R1.1624 CCCCN1C(=O)CC(N)C1=O Amb25104876 [0,1,0,0,0,0|3,0,0]=4 215 B12R1.1624 CCCCN1C(=O)C[C@@H](C1=O)N Amb17134618 [0,1,0,0,0,0|3,0,0]=4 216 B12R1.1624 CCCCN1C(=O)N[C@H](C)C1=O Amb24403579 [0,1,0,0,0,0|2,0,0]=3 217 B12R1.1624 CCCCN1C(=O)SC(C)=C1C Amb24689011 [0,1,0,0,0,0|1,1,1]=4 218 B12R1.1624 CCCCc1c(C)[n][n](C)c1C Amb25188237 [0,1,0,0,0,0|3,0,0]=4 219 B12R1.1624 CCNCc1c(C)oc(C)c1C Amb24452471 [0,1,0,0,0,0|2,0,1]=4 220 B12R1.1624 CN1CC(=O)N(CCCC)C1=S Amb25722127 [0,1,0,0,0,0|3,0,0]=4 221 B12R1.1624 CNCCN1C(=O)C(C)CC1=O Amb18299815 [0,1,0,0,0,0|3,0,0]=4 222 B12R1.1624 COCCN1C(=O)NC(C1=O)C Amb17597592 [0,1,0,0,0,0|3,0,0]=4 223 B12R1.1624 COCCN1C(=O)N[C@H](C)C1=O Amb24717863 [0,1,0,0,0,0|3,0,0]=4 224 B12R1.1624 CSCCN1C(=O)N[C@@H](C)C1=O Amb25188343 [0,1,0,0,0,0|3,0,0]=4 225 B12R1.1624 C[C@@H]1NC(=O)N(CCCO)C1=O Amb25823007 [0,1,0,0,0,0|3,0,0]=4 226 B12R1.1624 C[C@@H]1OC(=O)[C@@H](CCCC)[C@H]1O Amb24668948 [0,1,0,0,0,0|0,0,2]=3 227 B12R1.1624 C[C@H]1OC(=O)[C@H](CCCC)[C@H]1O Amb24575288 [0,1,0,0,0,0|0,0,2]=3 228 B10R0.1 CCC#C\C=C\C(C)CC=O Amb24486450 [0,0,1,0,0,0|1,0,2]=4 229 B10R0.1 CCCCC#CC(C)CC=O Amb25384682 [0,0,1,0,0,0|1,0,2]=4 230 B10R0.1 CCCCC#C[C@@H](C)CC=O Amb25384544 [0,0,1,0,0,0|1,0,2]=4 231 B10R0.1 CCCCC#C[C@H](C)CC=O Amb25385819 [0,0,1,0,0,0|1,0,2]=4 232 B10R0.6 CC(C)OC(=O)OCCCF Amb24088682 [0,0,1,0,0,0|2,0,1]=4 233 B10R0.6 CCCCCC(=O)CC(C)C Amb18182142 [0,0,1,0,0,0|1,0,2]=4 234 B10R0.6 CCCCCC(=O)OC(C)C Amb22730708 [0,0,1,0,0,0|0,0,2]=3 235 B10R0.6 CCCCNC(=O)OC(C)C Amb10569748 [0,0,1,0,0,0|1,0,1]=3 236 B10R0.6 CCCCOC(=O)CC(C)C Amb22002354 [0,0,1,0,0,0|2,0,1]=4 237 B10R0.6 CCCOCC(=O)OC(C)C Amb15692603 [0,0,1,0,0,0|1,0,2]=4 238 B10R0.19 CCCCC(=O)C(=O)OCC Amb10603615 [0,0,1,0,0,0|1,0,0]=2 239 B10R0.19 CCCCC(N)C(=O)NCC Amb18179826 [0,0,1,0,0,0|2,0,1]=4 240 B10R0.19 CCCNC(=O)C(=O)NCC Amb1785483 [0,0,1,0,0,0|3,0,0]=4 241 B10R0.19 CCCNC(=S)C(=O)OCC Amb10601540 [0,0,1,0,0,0|2,0,0]=3 242 B10R0.19 CCOC(=O)C(Br)CCCBr Amb22234280 [0,0,1,0,0,0|2,0,1]=4 243 B10R0.19 CCOC(=O)C(O)CCSC Amb18186249 [0,0,1,0,0,0|2,0,1]=4 244 B10R0.19 CCOC(=O)[C@@H](N)CCCN Amb22745899 [0,0,1,0,0,0|2,0,1]=4 245 B10R0.19 C\C(=C/OCC)\C(=O)OCC Amb19895202 [0,0,1,0,0,0|1,0,2]=4 246 B10R0.19 NCCC[C@@H](C(=O)OCC)N Amb16234080 [0,0,1,0,0,0|2,0,1]=4 247 B10R0.88 CCCCC(=C=CC)C(O)=O Amb25385139 [0,0,1,0,0,0|0,0,2]=3 248 B10R0.88 CCCCC(C(=O)O)CCC Amb17619602 [0,0,1,0,0,0|0,0,2]=3 249 B12R2.620 OC1CCC2=C1C(=O)OC2=O Amb24412153 [0,0,0,1,0,0|2,0,1]=4 250 B12R2.783 CC1CC2(CCCC2)C(=O)N1 Amb25084406 [0,0,0,1,0,0|1,0,2]=4 251 B12R2.783 CC1CC2(CCCN2)C(=O)O1 Amb24552835 [0,0,0,1,0,0|1,0,2]=4 252 B12R2.993 CC1=CN(C2CCC2)C(=O)N1 Amb25859423 [0,0,0,1,0,0|2,0,1]=4 253 B12R2.993 CC1CC(C(=O)O1)N2CCC2 Amb25204864 [0,0,0,1,0,0|1,0,2]=4 254 B12R2.993 CC1CN(C2CNC2)C(=O)O1 Amb23598572 [0,0,0,1,0,0|2,0,1]=4 255 B12R2.996 C[C@H]1C[C@@H]2CCCC[C@H]1C2=O Amb24676821 [0,0,0,1,0,0|1,0,2]=4 256 B12R2.996 C[C@H]1C[C@H]2CCCC[C@H]1C2=O Amb25359058 [0,0,0,1,0,0|1,0,2]=4 257 B12R2.1041 Cc1cc2CCCCCc2[nH]1 Amb24486115 [0,0,0,1,0,0|2,0,1]=4 258 B12R2.1041 Cc1cc2CCCNCc2o1 Amb18831245 [0,0,0,1,0,0|2,0,1]=4 259 B12R2.1041 Cc1cc2CCNCCc2o1 Amb18831248 [0,0,0,1,0,0|2,0,1]=4 260 B12R2.1041 Nc1cc2CCCCCc2o1 Amb18201638 [0,0,0,1,0,0|2,0,1]=4 261 B12R2.2028 C=C1CC(=O)C=2CCCCC21 Amb25713638 [0,0,0,1,0,0|1,0,2]=4 262 B12R2.2028 CC1CC(=O)C=2OCCCC21 Amb24071576 [0,0,0,1,0,0|2,0,0]=3 263 B12R2.2028 CC1CC(=O)C=2SCCCC21 Amb24528907 [0,0,0,1,0,0|2,0,0]=3 264 B12R2.2028 CC1OC(=O)C=2CCCOC21 Amb24738529 [0,0,0,1,0,0|1,0,0]=2 265 B12R2.2028 CC1OC(=O)[C@@H]2NCCC[C@H]21 Amb24068511 [0,0,0,1,0,0|1,0,2]=4 266 B12R2.2028 CC=1CC(=O)C2CCCCC12 Amb25151479 [0,0,0,1,0,0|1,0,2]=4 267 B12R2.2028 CN1CC(=O)C=2CCCCC12 Amb25839822 [0,0,0,1,0,0|2,0,0]=3 268 B12R2.2028 CN1NC(=O)C=2CCCCC12 Amb20663501 [0,0,0,1,0,0|2,0,0]=3 269 B12R2.2028 C[n]1[n]c(Br)c2CCCCc12 Amb25241803 [0,0,0,1,0,0|3,0,0]=4 270 B12R2.2028 C[n]1[n]c(N)c2CCCCc12 Amb18201531 [0,0,0,1,0,0|3,0,0]=4 271 B12R2.2028 O=C1CC(=O)C=2CCCCC12 Amb25148207 [0,0,0,1,0,0|2,0,1]=4 272 B12R2.2028 O=C1CC(C2=C1CCCC2)C Amb16191935 [0,0,0,1,0,0|1,0,0]=2 273 B12R2.2028 O=C1NC(=O)C2=C1CCCC2 Amb15691889 [0,0,0,1,0,0|2,0,1]=4 274 B12R2.2028 O=C1OC(=O)C=2CSCCC12 Amb25831678 [0,0,0,1,0,0|2,0,1]=4 275 B12R2.2028 OC1CC(=O)C=2CCCCC21 Amb25730065 [0,0,0,1,0,0|2,0,0]=3 276 B12R2.2028 OC1OC(=O)C=2CCCCC21 Amb24709311 [0,0,0,1,0,0|1,0,0]=2 277 B12R2.2028 OC1OC(=O)C=2SCCSC21 Amb25149583 [0,0,0,1,0,0|3,0,0]=4 278 B12R2.2028 OC1OC(=O)[C@H]2CCCCC21 Amb25098769 [0,0,0,1,0,0|1,0,2]=4 279 B12R2.2310 CC1CC(NC2CC2)C(=O)O1 Amb25681196 [0,0,0,1,0,0|1,0,2]=4 280 B12R2.2763 Cc1cc(C2CC2Br)c(C)o1 Amb24703675 [0,0,0,1,0,0|2,0,1]=4 281 B10R1.217 CCCCC1=C[C@@H](O)[C@H]1O Amb24749644 [0,0,0,0,1,0|1,0,2]=4 282 B10R1.217 CCCCN1CC(Cl)C1=O Amb25360683 [0,0,0,0,1,0|2,0,1]=4 283 B10R1.217 CCCCN1CC(N)C1=O Amb24479568 [0,0,0,0,1,0|2,0,1]=4 284 B10R1.217 CCCNC1=CC(=O)C1=O Amb24480760 [0,0,0,0,1,0|2,0,1]=4 285 B10R1.217 CCCOC1=CC(=O)C1=O Amb24690746 [0,0,0,0,1,0|2,0,1]=4 286 B10R1.406 CC1CC(=O)N1CCCO Amb24480412 [0,0,0,0,1,0|3,0,0]=4 287 B10R1.406 C[C@@H]1CC(=O)[C@H]1CCCC Amb24620015 [0,0,0,0,1,0|1,0,1]=3 288 B10R1.406 C[C@@H]1NC(=O)[C@@H]1CCCC Amb25326788 [0,0,0,0,1,0|1,0,1]=3 289 B12R1.69 CC#CCC1=CC[C@@H](C)CC1=O Amb24564925 [0,0,0,0,0,1|1,0,2]=4 290 B12R1.69 CC1=CC(=O)C(=CN1)OCCC Amb19120152 [0,0,0,0,0,1|2,0,1]=4 291 B12R1.69 CC1=CC(=O)C(CCCO)=CO1 Amb25347586 [0,0,0,0,0,1|2,0,1]=4 292 B12R1.69 CC1=CC(=O)N(CCCC)C=N1 Amb24747450 [0,0,0,0,0,1|2,0,1]=4 293 B12R1.69 CC1CC=C(CCC#N)C(=O)C1 Amb18645906 [0,0,0,0,0,1|2,0,1]=4 294 B12R1.69 CC=1C=CN(CCCC)C(=O)C1 Amb18403659 [0,0,0,0,0,1|2,0,1]=4 295 B12R1.69 CC=1C=NN(CCCC)C(=O)C1 Amb25845832 [0,0,0,0,0,1|2,0,1]=4 296 B12R1.69 CC=1NC(=O)C(CNCC)=CN1 Amb25049708 [0,0,0,0,0,1|2,0,1]=4 297 B12R1.69 CC=1NC(=O)C(COCC)=CN1 Amb22055198 [0,0,0,0,0,1|2,0,1]=4 298 B12R1.69 CC=1NC=C(CCNC)C(=O)N1 Amb24638221 [0,0,0,0,0,1|2,0,1]=4 299 B12R1.69 CCCCC1=CCC(C)CC1=O Amb25354391 [0,0,0,0,0,1|1,0,0]=2 300 B12R1.69 CCCCC1=CNC(=O)NC1=O Amb24663148 [0,0,0,0,0,1|2,0,1]=4 301 B12R1.69 CCCCC1=CNC(=S)NC1=O Amb25095360 [0,0,0,0,0,1|2,0,1]=4 302 B12R1.69 C[C@@H]1CC=C(CCC#N)C(=O)C1 Amb25373404 [0,0,0,0,0,1|2,0,1]=4 303 B12R1.69 Cc1[n]cc(CCCC)c(N)[n]1 Amb24753390 [0,0,0,0,0,1|2,0,1]=4 304 B12R1.69 Cc1c[n]c(CCCC)c(N)c1 Amb24673024 [0,0,0,0,0,1|2,0,1]=4 305 B12R1.69 Cc1ccc(CCCC)c(N)c1 Amb24524870 [0,0,0,0,0,1|2,0,1]=4 306 B12R1.69 Cc1ccc(CCCC)c(O)c1 Amb24557617 [0,0,0,0,0,1|1,0,2]=4 307 B12R1.100 CC1=CC(=CC(=O)O1)OCCN Amb22642627 [0,0,0,0,0,1|2,0,1]=4 308 B12R1.100 CC1=CC(=O)C=C(CCCC)O1 Amb24633495 [0,0,0,0,0,1|2,0,1]=4 309 B12R1.100 CC1CC(CC(=O)C1)CCCC Amb25729217 [0,0,0,0,0,1|1,0,2]=4 310 B12R1.100 CC1CC(CC(=O)N1)CCCC Amb24453815 [0,0,0,0,0,1|1,0,2]=4 311 B12R1.100 CC=1C=C(COCC)NC(=O)C1 Amb24651380 [0,0,0,0,0,1|2,0,1]=4 312 B12R1.100 CCCCC1=CC(=O)CC(=O)O1 Amb25318932 [0,0,0,0,0,1|2,0,1]=4 313 B12R1.100 CCCCC1=CC(O)=CC(=O)O1 Amb25201813 [0,0,0,0,0,1|2,0,1]=4 314 B12R1.100 CCCCC=1CC(C)CC(=O)C1 Amb25792954 [0,0,0,0,0,1|1,0,1]=3 315 B12R1.100 CCCCc1cc(C)cc(C)c1 Amb20621114 [0,0,0,0,0,1|2,0,1]=4 316 B12R1.100 CCCCc1cc(C)nc(c1)C Amb10561382 [0,0,0,0,0,1|2,0,1]=4 317 B12R1.100 CCCNC=1CC(C)CC(=O)C1 Amb21967563 [0,0,0,0,0,1|2,0,1]=4 318 B12R1.100 CCOCC=1CC(C)CC(=O)C1 Amb25257326 [0,0,0,0,0,1|2,0,1]=4 319 B12R1.100 CSCCC=1CC(C)CC(=O)C1 Amb25725881 [0,0,0,0,0,1|2,0,1]=4 320 B12R1.100 C[C@@H]1C[C@@H](CC(=O)C1)CCCC Amb24604847 [0,0,0,0,0,1|1,0,2]=4 321 B12R1.100 C[C@H]1CC(CC(=O)C1)CCCC Amb25730292 [0,0,0,0,0,1|1,0,2]=4 322 B12R1.100 Cc1cc(N)cc(CCCC)c1 Amb24457282 [0,0,0,0,0,1|2,0,1]=4 323 B12R1.100 Cc1cc(O)cc(CCCC)c1 Amb25102928 [0,0,0,0,0,1|1,0,2]=4 324 B12R1.374 CC1CCC(=O)C(C1)CCCC Amb18799267 [0,0,0,0,0,1|1,0,2]=4 325 B12R1.374 CC=1C=CC(=O)N(CCCC)C1 Amb18404884 [0,0,0,0,0,1|2,0,1]=4 326 B12R1.374 CCCCC1=CC(=O)C=CC1=O Amb24065452 [0,0,0,0,0,1|2,0,1]=4 327 B12R1.374 CCCCC1=C[C@H](O)CCC1=O Amb25674258 [0,0,0,0,0,1|2,0,0]=3 328 B12R1.374 Cc1ccc(N)c(CCCC)c1 Amb24365184 [0,0,0,0,0,1|2,0,1]=4 329 B12R1.374 OC1CCC(=O)C(CCCCl)=C1 Amb24424424 [0,0,0,0,0,1|3,0,0]=4 330 B9R0.5 BrCCCNC(=O)OCC Amb10608871 [1,0,1,0,0,0|2,0,0]=4 331 B9R0.5 CCCCCC(=O)OC=C Amb17938956 [1,0,1,0,0,0|0,0,2]=4 332 B9R0.5 CCCCCC(=O)OCCl Amb24568887 [1,0,1,0,0,0|1,0,1]=4 333 B9R0.5 CCCCCC(C)CC=O Amb21953169 [1,0,1,0,0,0|1,0,1]=4 334 B9R0.5 CCCCNC(=O)OCC Amb10552892 [1,0,1,0,0,0|1,0,0]=3 335 B9R0.5 CCCCNC(=O)OCCl Amb25703550 [1,0,1,0,0,0|2,0,0]=4 336 B9R0.5 CCCCNC(=O)OCF Amb24681120 [1,0,1,0,0,0|2,0,0]=4 337 B9R0.5 CCCCNC(=O)SCC Amb25131164 [1,0,1,0,0,0|1,1,0]=4 338 B9R0.5 CCCCSC(=O)OCCl Amb24482256 [1,0,1,0,0,0|2,0,0]=4 339 B9R0.5 CCCCSC(C)CC=O Amb25233529 [1,0,1,0,0,0|2,0,0]=4 340 B9R0.5 CCCONC(=O)OCC Amb25046316 [1,0,1,0,0,0|2,0,0]=4 341 B9R0.5 CCC\C=C\C(=O)CCC Amb17593554 [1,0,1,0,0,0|1,0,1]=4 342 B9R0.5 CCC\C=C\C(=O)NCC Amb24353919 [1,0,1,0,0,0|1,0,1]=4 343 B9R0.5 CCC\C=C\C(=O)OCC Amb22001054 [1,0,1,0,0,0|0,0,1]=3 344 B9R0.5 CCOC(=O)CCCCCl Amb24445064 [1,0,1,0,0,0|1,0,1]=4 345 B9R0.5 CCOC(=O)CCCCN Amb19957938 [1,0,1,0,0,0|1,0,1]=4 346 B9R0.5 CCOC(=O)CCCCS Amb25246862 [1,0,1,0,0,0|1,0,1]=4 347 B9R0.5 CCOC(=O)CCCSC Amb25058939 [1,0,1,0,0,0|1,0,1]=4 348 B9R0.5 CCOC(=O)NCCCN Amb24546405 [1,0,1,0,0,0|2,0,0]=4 349 B9R0.5 CCOC(=O)NCCOC Amb17792634 [1,0,1,0,0,0|2,0,0]=4 350 B9R0.5 CCOC(=O)OCCCF Amb24088656 [1,0,1,0,0,0|2,0,0]=4 351 B9R0.5 CCOC(=O)OCCCN Amb25840265 [1,0,1,0,0,0|2,0,0]=4 352 B9R0.5 CCOC(=O)OCCNC Amb25742600 [1,0,1,0,0,0|2,0,0]=4 353 B9R0.5 CCOC(=O)\C=C/OCC Amb24605673 [1,0,1,0,0,0|1,0,1]=4 354 B9R0.5 CCOC(=O)\C=C\CCBr Amb24653674 [1,0,1,0,0,0|1,0,1]=4 355 B9R0.5 CCOC(=O)\C=C\CCCl Amb24378086 [1,0,1,0,0,0|1,0,1]=4 356 B9R0.5 CCOC(=O)\C=C\CCN Amb24413568 [1,0,1,0,0,0|1,0,1]=4 357 B9R0.5 CCOC(=O)\C=C\CSC Amb25330386 [1,0,1,0,0,0|1,0,1]=4 358 B9R0.5 CCOC(=O)\C=C\NCC Amb22732261 [1,0,1,0,0,0|1,0,1]=4 359 B9R0.5 CCOCNC(=O)OCC Amb25117140 [1,0,1,0,0,0|2,0,0]=4 360 B9R0.5 CCO\C=C/C(C)CC=O Amb24625751 [1,0,1,0,0,0|2,0,0]=4 361 B9R0.5 CCO\C=C\C(C)CC=O Amb25701589 [1,0,1,0,0,0|2,0,0]=4 362 B9R0.5 NCCCCC(=O)OCC Amb10807401 [1,0,1,0,0,0|1,0,1]=4 363 B9R0.5 OCCCCC(=O)OCC Amb17593658 [1,0,1,0,0,0|1,0,1]=4 364 B9R0.45 CCCC\C=C/C=C/C=O Amb25770096 [1,0,1,0,0,0|1,0,1]=4 365 B9R0.45 CCCC\C=C/CCC=O Amb24477003 [1,0,1,0,0,0|1,0,0]=3 366 B9R0.46 CC(C=C)\C=C\CCCO Amb25851266 [1,0,1,0,0,0|2,0,0]=4 367 B9R0.46 CCCCCCC(C=O)C Amb10603627 [1,0,1,0,0,0|0,0,2]=4 368 B9R0.46 CCCCCC[C@H](C)C=O Amb24374798 [1,0,1,0,0,0|0,0,2]=4 369 B9R0.46 CCCCC\C=C(/C)\C=O Amb18643629 [1,0,1,0,0,0|0,0,2]=4 370 B9R0.46 CCCCO\C=C(\C)/C=O Amb24744737 [1,0,1,0,0,0|1,0,1]=4 371 B9R0.46 CCCC\C=C\C(C)C=O Amb24478317 [1,0,1,0,0,0|0,0,0]=2 372 B9R0.46 CCCC\C=C\C(C)CO Amb25305234 [1,0,1,0,0,0|0,0,2]=4 373 B9R0.46 CCCC\C=C\C(O)C=C Amb25687957 [1,0,1,0,0,0|2,0,0]=4 374 B9R0.46 CCC\C=C\CC(C)C=O Amb24575415 [1,0,1,0,0,0|0,0,2]=4 375 B9R0.2 CCCC\C=C\CC(C)N Amb24744361 [1,0,1,0,0,0|2,0,0]=4 376 B9R0.2 CCCC\C=C\C[C@@H](C)O Amb25041963 [1,0,1,0,0,0|2,0,0]=4 377 B9R0.2 CCCC\C=C\OC(C)=O Amb25293926 [1,0,1,0,0,0|1,0,1]=4 378 B9R0.4 CC(=C)CC(=O)CCCC Amb25303713 [1,0,1,0,0,0|1,0,1]=4 379 B9R0.4 CC(C)OC(=O)CCCO Amb24556778 [1,0,1,0,0,0|1,0,1]=4 380 B9R0.4 CC(C)OC(=O)CCCS Amb25042957 [1,0,1,0,0,0|1,0,1]=4 381 B9R0.4 CCCCC(=O)CC(C)C Amb10807381 [1,0,1,0,0,0|1,0,1]=4 382 B9R0.4 CCCCC(=O)C[C@@H](C)O Amb24752471 [1,0,1,0,0,0|0,0,1]=3 383 B9R0.4 CCCCC(=O)C[C@H](C)O Amb24582786 [1,0,1,0,0,0|0,0,1]=3 384 B9R0.4 CCCCC(=O)OC(C)C Amb22733766 [1,0,1,0,0,0|0,0,1]=3 385 B9R0.4 CCCCC(=O)OC(C)Cl Amb24692707 [1,0,1,0,0,0|1,0,0]=3 386 B9R0.4 CCCCS(=O)CC(C)O Amb25717943 [1,0,1,0,0,0|1,0,1]=4 387 B9R0.4 CCCOC(=O)CC(C)O Amb24733872 [1,0,1,0,0,0|1,0,1]=4 388 B9R0.4 CCCOC(=O)C[C@@H](C)O Amb25334676 [1,0,1,0,0,0|1,0,1]=4 389 B9R0.4 CCCOC(=O)OC(C)Cl Amb25798803 [1,0,1,0,0,0|2,0,0]=4 390 B9R0.4 CCOCC(C)=CC(C)O Amb24570119 [1,0,1,0,0,0|1,0,1]=4 391 B9R0.4 CCSCC(=O)OC(C)C Amb18798148 [1,0,1,0,0,0|1,0,1]=4 392 B9R0.4 COCCC(=O)OC(C)C Amb25343061 [1,0,1,0,0,0|1,0,1]=4 393 B9R0.4 C\C(\N)=C\C(=O)CCCC Amb24608603 [1,0,1,0,0,0|1,0,1]=4 394 B9R0.4 C\C(\O)=C/C(=O)CCCC Amb25146869 [1,0,1,0,0,0|0,0,1]=3 395 B9R0.4 C\C(\O)=C\C(=O)CCCC Amb25729180 [1,0,1,0,0,0|0,0,1]=3 396 B9R0.4 C\C(\O)=C\C(=O)OCCC Amb24595160 [1,0,1,0,0,0|1,0,1]=4 397 B9R0.8 CC(=NCCC)C(=O)CC Amb24553635 [1,0,1,0,0,0|1,0,1]=4 398 B9R0.8 CCC(=C)C(=O)CCCC Amb25146831 [1,0,1,0,0,0|2,0,0]=4 399 B9R0.8 CCC(=O)C(=O)CCCC Amb25723805 [1,0,1,0,0,0|1,0,0]=3 400 B9R0.8 CCC(=O)C(=O)NCCC Amb25703151 [1,0,1,0,0,0|2,0,0]=4 401 B9R0.8 CCC(=O)\C(\Cl)=C\CCC Amb24361276 [1,0,1,0,0,0|1,0,1]=4 402 B9R0.8 CCCCC(=C)C(=O)CC Amb25334022 [1,0,1,0,0,0|0,0,0]=2 403 B9R0.8 CCCCC(=C)[C@H](O)CC Amb25792459 [1,0,1,0,0,0|0,0,2]=4 404 B9R0.8 CCCCC(=O)C(=O)OC Amb22755702 [1,0,1,0,0,0|1,0,0]=3 405 B9R0.8 CCCCC(Br)C(=O)CC Amb24383150 [1,0,1,0,0,0|1,0,1]=4 406 B9R0.8 CCCCC(Br)C(=O)OC Amb19514695 [1,0,1,0,0,0|1,0,1]=4 407 B9R0.8 CCCCC(C)C(=O)CC Amb25359211 [1,0,1,0,0,0|0,0,2]=4 408 B9R0.8 CCCCC(Cl)C(=O)OC Amb18800859 [1,0,1,0,0,0|1,0,1]=4 409 B9R0.8 CCCCC(N)C(=O)CC Amb25757616 [1,0,1,0,0,0|1,0,1]=4 410 B9R0.8 CCCCC(O)C(=O)CC Amb25714343 [1,0,1,0,0,0|1,0,1]=4 411 B9R0.8 CCCCC(O)C(=O)OC Amb23596568 [1,0,1,0,0,0|1,0,1]=4 412 B9R0.8 CCCCC(S)C(=O)OC Amb24745120 [1,0,1,0,0,0|1,0,1]=4 413 B9R0.8 CCCCN(C)C(=O)OC Amb24721186 [1,0,1,0,0,0|1,0,1]=4 414 B9R0.8 CCCC[C@@H](Br)C(=O)OC Amb25119304 [1,0,1,0,0,0|1,0,1]=4 415 B9R0.8 CCCC[C@@H](N)C(=O)OC Amb22745342 [1,0,1,0,0,0|1,0,1]=4 416 B9R0.8 CCCC[C@@H](O)C(=O)OC Amb24430118 [1,0,1,0,0,0|1,0,1]=4 417 B9R0.8 CCCC[C@H](C(=O)OC)N Amb16183949 [1,0,1,0,0,0|1,0,1]=4 418 B9R0.8 CCCC[C@H](N)C(=O)OC Amb22169631 [1,0,1,0,0,0|1,0,1]=4 419 B9R0.8 CCC\C=C(\N)/C(=O)OC Amb25361927 [1,0,1,0,0,0|1,0,1]=4 420 B9R0.8 COC(=O)C(=O)CCCBr Amb24440505 [1,0,1,0,0,0|2,0,0]=4 421 B9R0.8 C\C(=C/CCC)\C(=O)CC Amb25146872 [1,0,1,0,0,0|0,0,2]=4 422 B9R0.18 CCCCC(=C)CCCC Amb22641581 [1,0,1,0,0,0|1,0,1]=4 423 B9R0.18 CCCCC(=O)NOCC Amb10572674 [1,0,1,0,0,0|2,0,0]=4 424 B9R0.18 CCCCC(=O)\C=C\CC Amb25219828 [1,0,1,0,0,0|2,0,0]=4 425 B9R0.18 CCOCC(=C)COCC Amb25174096 [1,0,1,0,0,0|1,0,1]=4 426 B9R0.18 CCO\C=C(\C)/CCCO Amb24432418 [1,0,1,0,0,0|1,0,1]=4 427 B9R0.35 CC(=CCC)C(=O)OCC Amb25032127 [1,0,1,0,0,0|0,0,2]=4 428 B9R0.35 CCCC(=O)C(=C)CCC Amb24448277 [1,0,1,0,0,0|1,0,0]=3 429 B9R0.35 CCCC(=O)C(=O)CCC Amb22732205 [1,0,1,0,0,0|2,0,0]=4 430 B9R0.35 CCC[C@@H](C(=O)OCC)N Amb16233901 [1,0,1,0,0,0|1,0,1]=4 431 B9R0.35 CCOC(=O)C(=C)CC#C Amb23585044 [1,0,1,0,0,0|0,0,2]=4 432 B9R0.35 CCOC(=O)C(=C)CC=O Amb24722871 [1,0,1,0,0,0|1,0,1]=4 433 B9R0.35 CCOC(=O)C(=C)CCC Amb22360691 [1,0,1,0,0,0|0,0,0]=2 434 B9R0.35 CCOC(=O)C(=C)CCCl Amb25279492 [1,0,1,0,0,0|1,0,0]=3 435 B9R0.35 CCOC(=O)C(=C)CCO Amb24379905 [1,0,1,0,0,0|1,0,0]=3 436 B9R0.35 CCOC(=O)C(=C)CNC Amb24478979 [1,0,1,0,0,0|1,0,0]=3 437 B9R0.35 CCOC(=O)C(=C)CNO Amb25684330 [1,0,1,0,0,0|2,0,0]=4 438 B9R0.35 CCOC(=O)C(=C)CON Amb25690544 [1,0,1,0,0,0|2,0,0]=4 439 B9R0.35 CCOC(=O)C(=C)CSC Amb25328652 [1,0,1,0,0,0|1,0,0]=3 440 B9R0.35 CCOC(=O)C(=C)OCC Amb22230635 [1,0,1,0,0,0|1,0,0]=3 441 B9R0.35 CCOC(=O)C(=N)NCC Amb24628273 [1,0,1,0,0,0|2,0,0]=4 442 B9R0.35 CCOC(=O)C(=N)OCC Amb20670112 [1,0,1,0,0,0|2,0,0]=4 443 B9R0.35 CCOC(=O)C(=N)OCC Amb20670977 [1,0,1,0,0,0|2,0,0]=4 444 B9R0.35 CCOC(=O)C(=O)CCCl Amb24705549 [1,0,1,0,0,0|2,0,0]=4 445 B9R0.35 CCOC(=O)C(=S)NCC Amb24461710 [1,0,1,0,0,0|2,0,0]=4 446 B9R0.35 CCOC(=O)C(Cl)CCC Amb18800860 [1,0,1,0,0,0|1,0,1]=4 447 B9R0.35 CCOC(=O)C(N)=CCC Amb25294674 [1,0,1,0,0,0|1,0,1]=4 448 B9R0.35 CCOC(=O)C(O)CCC Amb22350176 [1,0,1,0,0,0|1,0,1]=4 449 B9R0.35 CCOC(=O)C(S)CCC Amb24613784 [1,0,1,0,0,0|1,0,1]=4 450 B9R0.35 CCOC(=O)N(N)CCC Amb18644276 [1,0,1,0,0,0|2,0,0]=4 451 B9R0.35 CCOC(=O)[C@@H](Br)CCC Amb25857084 [1,0,1,0,0,0|1,0,1]=4 452 B9R0.35 CCOC(=O)[C@@H](N)CCC Amb22747761 [1,0,1,0,0,0|1,0,1]=4 453 B9R0.35 CCOC(=O)[C@H](Br)CCC Amb25857397 [1,0,1,0,0,0|1,0,1]=4 454 B9R0.35 CCOC(=O)[C@H](O)CCC Amb22225395 [1,0,1,0,0,0|1,0,1]=4 455 B9R0.35 CCO[13C](=O)[13C](=O)OCC Amb22367388 [1,0,1,0,0,0|2,0,0]=4 456 B9R0.14 CCC(CCC)=CC(C)O Amb24480996 [1,0,1,0,0,0|1,0,1]=4 457 B9R0.14 CCCC(C=O)=CC(C)C Amb25203481 [1,0,1,0,0,0|1,0,0]=3 458 B9R0.14 CCCC(C=O)=CN(C)C Amb25233514 [1,0,1,0,0,0|2,0,0]=4 459 B9R0.14 CCC\C(\C=O)=C/C(C)C Amb24117968 [1,0,1,0,0,0|1,0,0]=3 460 B9R0.14 CCC\C(\C=O)=C/N(C)C Amb25365149 [1,0,1,0,0,0|2,0,0]=4 461 B9R0.40 C=C\C(\CCCCl)=C/CO Amb24657325 [1,0,1,0,0,0|2,0,0]=4 462 B9R0.40 CCCCC(=CCO)OC Amb24533542 [1,0,1,0,0,0|2,0,0]=4 463 B9R0.40 CCCCC(CO)=CCC Amb24431819 [1,0,1,0,0,0|0,0,1]=3 464 B9R0.40 CCCCC(NCC)=NO Amb24392888 [1,0,1,0,0,0|2,0,0]=4 465 B9R0.40 CCC\C=C(/CCC)\C=O Amb18643647 [1,0,1,0,0,0|0,0,2]=4 466 B9R0.40 CCC\C=C(\CCC)/C=O Amb25828848 [1,0,1,0,0,0|0,0,2]=4 467 B9R0.40 CC\C=C(/CCCO)\CO Amb25723607 [1,0,1,0,0,0|1,0,1]=4 468 B9R0.13 CC(C)=C(CCCC)CC Amb25839850 [1,0,1,0,0,0|2,0,0]=4 469 B9R0.13 CCC(=CCNC)C(O)=O Amb25221722 [1,0,1,0,0,0|1,0,1]=4 470 B9R0.13 CCC(=CCOC)C(O)=O Amb24410279 [1,0,1,0,0,0|1,0,1]=4 471 B9R0.13 CCC(CCCBr)C(O)=O Amb18131058 [1,0,1,0,0,0|1,0,1]=4 472 B9R0.13 CCC(CCCCl)C(O)=O Amb24480523 [1,0,1,0,0,0|1,0,1]=4 473 B9R0.13 CCC(CCCF)C(O)=O Amb25104466 [1,0,1,0,0,0|1,0,1]=4 474 B9R0.13 CCC(CCCN)C(O)=O Amb25703115 [1,0,1,0,0,0|1,0,1]=4 475 B9R0.13 CCC(CCOC)C(O)=O Amb25289946 [1,0,1,0,0,0|1,0,1]=4 476 B9R0.13 CCC(CCSC)C(O)=O Amb24373794 [1,0,1,0,0,0|1,0,1]=4 477 B9R0.13 CCC(CSCC)C(O)=O Amb24482439 [1,0,1,0,0,0|1,0,1]=4 478 B9R0.13 CCC=C=C(CC)C(O)=O Amb24480379 [1,0,1,0,0,0|0,0,2]=4 479 B9R0.13 CCCCC(=CBr)C(O)=O Amb25025162 [1,0,1,0,0,0|1,0,0]=3 480 B9R0.13 CCCCC(=CC)[N+]([O-])=O Amb24640767 [1,0,1,0,0,0|1,0,1]=4 481 B9R0.13 CCCCC(C(=O)[O-])CC Amb10807417 [1,0,1,0,0,0|0,0,2]=4 482 B9R0.13 CCCCC(C=O)C(O)=O Amb25132913 [1,0,1,0,0,0|1,0,1]=4 483 B9R0.13 CCCCC(CC)C(C)=O Amb25049588 [1,0,1,0,0,0|1,0,1]=4 484 B9R0.13 CCCCC(CC)C(O)=O Amb22232366 [1,0,1,0,0,0|0,0,1]=3 485 B9R0.13 CCCCC(CC)C(O)=O Amb22334224 [1,0,1,0,0,0|0,0,1]=3 486 B9R0.13 CCCCC(CC)C(O)=O Amb22337839 [1,0,1,0,0,0|0,0,1]=3 487 B9R0.13 CCCCC(CC)C(O)=O Amb22351159 [1,0,1,0,0,0|0,0,1]=3 488 B9R0.13 CCCCC(CC)C(O)=O Amb22351729 [1,0,1,0,0,0|0,0,1]=3 489 B9R0.13 CCCCC(CC)C(O)=O Amb22351933 [1,0,1,0,0,0|0,0,1]=3 490 B9R0.13 CCCCC(CC)C(O)=O Amb22363218 [1,0,1,0,0,0|0,0,1]=3 491 B9R0.13 CCCCC(CC)C([O-])=O Amb22043361 [1,0,1,0,0,0|0,0,2]=4 492 B9R0.13 CCCCC(CC)C([O-])=O Amb22045502 [1,0,1,0,0,0|0,0,2]=4 493 B9R0.13 CCCCC(CC)C([O-])=O Amb22045517 [1,0,1,0,0,0|0,0,2]=4 494 B9R0.13 CCCCC(CC)C([O-])=O Amb22045537 [1,0,1,0,0,0|0,0,2]=4 495 B9R0.13 CCCCC(CC)C([O-])=O Amb22045545 [1,0,1,0,0,0|0,0,2]=4 496 B9R0.13 CCCCC(CC)C([O-])=O Amb22045678 [1,0,1,0,0,0|0,0,2]=4 497 B9R0.13 CCCCC(CC)C([O-])=O Amb22045702 [1,0,1,0,0,0|0,0,2]=4 498 B9R0.13 CCCCC(CC)C([O-])=O Amb22045706 [1,0,1,0,0,0|0,0,2]=4 499 B9R0.13 CCCCC(CC)C([O-])=O Amb22045755 [1,0,1,0,0,0|0,0,2]=4 500 B9R0.13 CCCCC(CC)C([O-])=O Amb22045778 [1,0,1,0,0,0|0,0,2]=4 501 B9R0.13 CCCCC(CC)C([O-])=O Amb22045868 [1,0,1,0,0,0|0,0,2]=4 502 B9R0.13 CCCCC(CC)C([O-])=O Amb22052434 [1,0,1,0,0,0|0,0,2]=4 503 B9R0.13 CCCCC(CC)C([O-])=O Amb22053628 [1,0,1,0,0,0|0,0,2]=4 504 B9R0.13 CCCCC(CC)C([O-])=O Amb22053638 [1,0,1,0,0,0|0,0,2]=4 505 B9R0.13 CCCCC(CC)C([O-])=O Amb22053677 [1,0,1,0,0,0|0,0,2]=4 506 B9R0.13 CCCCC(CC)C([O-])=O Amb22053733 [1,0,1,0,0,0|0,0,2]=4 507 B9R0.13 CCCCC(CC)C([O-])=O Amb22053863 [1,0,1,0,0,0|0,0,2]=4 508 B9R0.13 CCCCC(CC)C([O-])=O Amb22054110 [1,0,1,0,0,0|0,0,2]=4 509 B9R0.13 CCCCC(CC)C([O-])=O Amb22054112 [1,0,1,0,0,0|0,0,2]=4 510 B9R0.13 CCCCC(CC)C([O-])=O Amb22054129 [1,0,1,0,0,0|0,0,2]=4 511 B9R0.13 CCCCC(CC)C([O-])=O Amb22054137 [1,0,1,0,0,0|0,0,2]=4 512 B9R0.13 CCCCC(CC)C([O-])=O Amb22054141 [1,0,1,0,0,0|0,0,2]=4 513 B9R0.13 CCCCC(CC)C([O-])=O Amb22055551 [1,0,1,0,0,0|0,0,2]=4 514 B9R0.13 CCCCC(CC)C([O-])=O Amb22234920 [1,0,1,0,0,0|0,0,2]=4 515 B9R0.13 CCCCC(CC)C([O-])=O Amb22338477 [1,0,1,0,0,0|0,0,2]=4 516 B9R0.13 CCCCC(CC)C([O-])=O Amb22730062 [1,0,1,0,0,0|0,0,2]=4 517 B9R0.13 CCCCC(CC)C([O-])=O Amb22730373 [1,0,1,0,0,0|0,0,2]=4 518 B9R0.13 CCCCC(CC)C([O-])=O Amb22730960 [1,0,1,0,0,0|0,0,2]=4 519 B9R0.13 CCCCC(CC)C([O-])=O Amb22732748 [1,0,1,0,0,0|0,0,2]=4 520 B9R0.13 CCCCC(CC)C([O-])=O Amb22732981 [1,0,1,0,0,0|0,0,2]=4 521 B9R0.13 CCCCC(NC)C(O)=O Amb24116642 [1,0,1,0,0,0|1,0,1]=4 522 B9R0.13 CCCCC(SC)C(O)=O Amb24478447 [1,0,1,0,0,0|1,0,1]=4 523 B9R0.13 CCCCN(C(=O)Cl)CC Amb17563080 [1,0,1,0,0,0|2,0,0]=4 524 B9R0.13 CCCC[C@@H](C(=O)O)CO Amb16232529 [1,0,1,0,0,0|1,0,1]=4 525 B9R0.13 CCCC[C@@H](CC)C(N)=O Amb24600233 [1,0,1,0,0,0|1,0,1]=4 526 B9R0.13 CCCC[C@@H](CO)C(O)=O Amb22745320 [1,0,1,0,0,0|1,0,1]=4 527 B9R0.13 CCCC[C@@H](NC)C(O)=O Amb22799980 [1,0,1,0,0,0|1,0,1]=4 528 B9R0.13 CCCC[C@H](CC)C(C)=O Amb24478140 [1,0,1,0,0,0|1,0,1]=4 529 B9R0.13 CCCC[C@H](CC)C(O)=O Amb24671282 [1,0,1,0,0,0|0,0,1]=3 530 B9R0.13 CCCC[C@H](CN)C(O)=O Amb25307811 [1,0,1,0,0,0|1,0,1]=4 531 B9R0.13 CCCC\C(=C/Br)\C(O)=O Amb24757714 [1,0,1,0,0,0|1,0,0]=3 532 B9R0.13 CCCC\C(=C/C)\C(N)=O Amb25790366 [1,0,1,0,0,0|1,0,0]=3 533 B9R0.13 CCCC\C(=C/C)\[N+]([O-])=O Amb25782473 [1,0,1,0,0,0|1,0,1]=4 534 B9R0.13 CCC\C=C(/C=C)\C(O)=O Amb24339177 [1,0,1,0,0,0|0,0,2]=4 535 B9R0.13 CCC\C=C(/CC)\C(O)=O Amb25228438 [1,0,1,0,0,0|0,0,1]=3 536 B9R0.13 CCC\C=C(\CC)/C(N)=O Amb25662913 [1,0,1,0,0,0|1,0,1]=4 537 B9R0.13 CCO\C=C(/CC)\C(O)=O Amb24350923 [1,0,1,0,0,0|1,0,1]=4 538 B9R0.13 CCO\C=C(\CC)/C(O)=O Amb24562695 [1,0,1,0,0,0|1,0,1]=4 539 B9R0.13 C\C=C(\CCCCl)/C(O)=O Amb24470501 [1,0,1,0,0,0|1,0,0]=3 540 B9R0.15 CC(=O)\C(\CCC)=C\CC Amb25272710 [1,0,1,0,0,0|1,0,0]=3 541 B9R0.15 CC(=O)\C(\CCO)=C/CC Amb25375188 [1,0,1,0,0,0|2,0,0]=4 542 B9R0.15 CC=C\C(=C\CC)\C(O)=O Amb25174947 [1,0,1,0,0,0|0,0,2]=4 543 B9R0.15 CCC=C(CCC)C(N)=O Amb25363795 [1,0,1,0,0,0|1,0,0]=3 544 B9R0.15 CCC=C(CCC)[N+]([O-])=O Amb24758178 [1,0,1,0,0,0|1,0,1]=4 545 B9R0.15 CCCC(=CCC)C(=O)O Amb17619616 [1,0,1,0,0,0|0,0,0]=2 546 B9R0.15 CCCC(=CCO)C(O)=O Amb24480726 [1,0,1,0,0,0|1,0,0]=3 547 B9R0.15 CCC\C(=C/C=C)\C(=O)O Amb17619615 [1,0,1,0,0,0|0,0,2]=4 548 B9R0.15 CCC\C(=C\C=C)\C(O)=O Amb18643584 [1,0,1,0,0,0|0,0,2]=4 549 B9R0.15 CCSC(=CCC)C(O)=O Amb25294376 [1,0,1,0,0,0|1,0,0]=3 550 B9R0.15 CCSC(CCC)C(O)=O Amb24482477 [1,0,1,0,0,0|1,0,1]=4 551 B9R0.15 CCS\C(=C\CC)\C(O)=O Amb24437907 [1,0,1,0,0,0|1,0,0]=3 552 B9R0.15 CC\C=C(/CCC)\[N+]([O-])=O Amb24455685 [1,0,1,0,0,0|1,0,1]=4 553 B9R0.15 CC\C=C(\CCO)/C(O)=O Amb24550606 [1,0,1,0,0,0|1,0,0]=3 554 B9R0.15 C\C=C\C(=C/CC)\C(O)=O Amb18643585 [1,0,1,0,0,0|0,0,2]=4 555 B9R0.15 C\C=C\C(=CCC)C(O)=O Amb24757109 [1,0,1,0,0,0|0,0,2]=4 556 B9R0.15 C\C=C\C(CCC)C(O)=O Amb18643916 [1,0,1,0,0,0|0,0,2]=4 557 B9R1.7 CCCc1c[nH]c(C)c1 Amb17666651 [2,0,0,0,0,0|1,0,1]=4 558 B9R1.7 CCCc1c[n](C)cc1 Amb25351966 [2,0,0,0,0,0|2,0,0]=4 559 B9R1.7 Cc1cc(CCO)co1 Amb25058458 [2,0,0,0,0,0|1,0,1]=4 560 B9R1.12 BrCCCc1c[n]oc1 Amb18327732 [2,0,0,0,0,0|2,0,0]=4 561 B9R1.12 BrCCCc1cocc1 Amb24593084 [2,0,0,0,0,0|1,0,1]=4 562 B9R1.12 CCCCC1=CCCN1 Amb25810489 [2,0,0,0,0,0|2,0,0]=4 563 B9R1.12 CCCCC=1CCCC1 Amb22227915 [2,0,0,0,0,0|1,0,1]=4 564 B9R1.12 CCCCc1c[nH][n]c1 Amb25348386 [2,0,0,0,0,0|2,0,0]=4 565 B9R1.12 CCCCc1c[nH]cc1 Amb25771565 [2,0,0,0,0,0|1,0,1]=4 566 B9R1.12 CCCCc1ccsc1 Amb17779303 [2,0,0,0,0,0|0,1,1]=4 567 B9R1.12 CCCNc1c[n]oc1 Amb18302363 [2,0,0,0,0,0|2,0,0]=4 568 B9R1.12 CCNCc1c[n]oc1 Amb18972536 [2,0,0,0,0,0|2,0,0]=4 569 B9R1.12 CNCCc1cocc1 Amb25682417 [2,0,0,0,0,0|1,0,1]=4 570 B9R1.12 ClCCCc1cocc1 Amb25720433 [2,0,0,0,0,0|1,0,1]=4 571 B9R1.12 NCCCc1cocc1 Amb25789662 [2,0,0,0,0,0|1,0,1]=4 572 B9R1.12 OCCCC=1COCC1 Amb25676732 [2,0,0,0,0,0|1,0,1]=4 573 B9R1.33 CCCC1CCOC1=O Amb25032145 [2,0,0,0,0,0|0,0,2]=4 574 B9R1.33 CCCc1c[n]oc1N Amb25231405 [2,0,0,0,0,0|2,0,0]=4 575 B9R1.33 CCNC1=CCCC1=O Amb24478596 [2,0,0,0,0,0|2,0,0]=4 576 B9R1.33 CC\C=C/1\CCOC1=O Amb25225082 [2,0,0,0,0,0|0,0,2]=4 577 B9R1.33 COCC1=CCOC1=O Amb24628346 [2,0,0,0,0,0|1,0,0]=3 578 B9R1.33 Cc1occc1CCC Amb25091579 [2,0,0,0,0,0|1,0,1]=4 579 B9R1.33 OCCC1=CCOC1=O Amb25346085 [2,0,0,0,0,0|1,0,0]=3 580 B9R1.22 CC1C=C(CBr)C(=O)O1 Amb24480126 [2,0,0,0,0,0|1,0,0]=3 581 B9R1.22 CCc1cc(C)oc1C Amb25213583 [2,0,0,0,0,0|1,0,1]=4 582 B9R1.22 CNC1=CC(C)OC1=O Amb25710963 [2,0,0,0,0,0|1,0,0]=3 583 B9R1.22 C\C=C/1\CC(C)OC1=O Amb25344017 [2,0,0,0,0,0|0,0,2]=4 584 B11R0.2 CCCCCCC(C)OC(=O)Cl Amb24061311 [0,1,1,0,0,0|0,0,2]=4 585 B11R0.2 CCCC\C=C\C(O)CC(O)=O Amb22831931 [0,1,1,0,0,0|2,0,0]=4 586 B11R0.165 CCCCNC(=O)OC(C)(C)C Amb10570479 [0,1,1,0,0,0|1,0,1]=4 587 B11R0.43 CCOC(=O)C(=O)CC(=O)CC Amb1106404 [0,1,1,0,0,0|1,0,1]=4 588 B11R0.59 CCOC(=O)C(=O)CCC(C)C Amb22755083 [0,1,1,0,0,0|1,0,0]=3 589 B11R0.177 CCOC(=O)C(=C)C(=O)OCC Amb15693458 [0,1,1,0,0,0|1,0,1]=4 590 B11R0.177 CCOC(=O)C(=O)C(=O)CCC Amb22755696 [0,1,1,0,0,0|1,0,1]=4 591 B11R0.247 CCCCC(C(=O)OCC)(F)F Amb15692354 [0,1,1,0,0,0|1,0,1]=4 592 B11R0.160 CCCCN(CC(C)O)C(C)=O Amb18265600 [0,1,1,0,0,0|1,0,1]=4 593 B11R0.36 CCCCC(C(=O)O)CCCC Amb17594329 [0,1,1,0,0,0|0,0,2]=4 594 B11R0.78 CCCC(CCCCC)C(O)=O Amb18794407 [0,1,1,0,0,0|0,0,2]=4 595 B11R1.15 CCCC(Cl)c1c[n][n](C)c1 Amb25852345 [1,1,0,0,0,0|2,0,0]=4 596 B11R1.15 CCCC(O)c1c[n](C)cc1 Amb24407381 [1,1,0,0,0,0|2,0,0]=4 597 B11R1.15 CCCC(O)c1c[n][n](C)c1 Amb18791582 [1,1,0,0,0,0|2,0,0]=4 598 B11R1.15 CCCC(O)c1coc(Br)c1 Amb24504773 [1,1,0,0,0,0|1,0,1]=4 599 B11R1.15 CCC[C@@H](O)c1c[n][n](C)c1 Amb25802372 [1,1,0,0,0,0|2,0,0]=4 600 B11R1.15 CCC[C@H](N)c1c[n][n](C)c1 Amb25848807 [1,1,0,0,0,0|2,0,0]=4 601 B11R1.15 Cc1[n]c(co1)C(N)CCC Amb18200681 [1,1,0,0,0,0|1,0,1]=4 602 B11R1.15 Cc1[n]c(co1)C(O)CCC Amb25727074 [1,1,0,0,0,0|1,0,1]=4 603 B11R1.15 Cc1cc(c[nH]1)C(C)CCC Amb24356604 [1,1,0,0,0,0|1,0,1]=4 604 B11R1.15 Cc1cc(c[nH]1)[C@H](C)CCC Amb24425462 [1,1,0,0,0,0|1,0,1]=4 605 B11R1.15 Cc1cc(c[s]1)C(N)CCC Amb25836814 [1,1,0,0,0,0|0,1,1]=4 606 B11R1.15 Cc1cc(c[s]1)[C@@H](O)CCC Amb24518225 [1,1,0,0,0,0|0,1,1]=4 607 B11R1.15 Cc1cc(co1)C(=O)CCC Amb24467253 [1,1,0,0,0,0|0,0,2]=4 608 B11R1.15 Cc1cc(co1)C(N)CCC Amb18200987 [1,1,0,0,0,0|0,0,1]=3 609 B11R1.15 Cc1cc(co1)C(N)COC Amb25043261 [1,1,0,0,0,0|1,0,1]=4 610 B11R1.15 Cc1cc(co1)C(O)CCC Amb24370778 [1,1,0,0,0,0|0,0,1]=3 611 B11R1.15 Cc1cc(co1)C(O)CCN Amb24340410 [1,1,0,0,0,0|1,0,1]=4 612 B11R1.27 Brc1cc(CCCCBr)co1 Amb25380577 [1,1,0,0,0,0|1,0,1]=4 613 B11R1.27 CCCCOc1c[n][n](C)c1 Amb24750588 [1,1,0,0,0,0|2,0,0]=4 614 B11R1.27 CCCNCc1c[n](C)cc1 Amb18563451 [1,1,0,0,0,0|2,0,0]=4 615 B11R1.27 CCCOCc1coc(Br)c1 Amb25380558 [1,1,0,0,0,0|1,0,1]=4 616 B11R1.27 CCCSCc1coc(Br)c1 Amb25380580 [1,1,0,0,0,0|1,0,1]=4 617 B11R1.27 CCNCCc1c[n](C)cc1 Amb18893414 [1,1,0,0,0,0|2,0,0]=4 618 B11R1.27 CCNCCc1c[n][n](C)c1 Amb18312581 [1,1,0,0,0,0|2,0,0]=4 619 B11R1.27 CCNCCc1coc(Br)c1 Amb25380550 [1,1,0,0,0,0|1,0,1]=4 620 B11R1.27 CNCCCc1c[n](C)cc1 Amb18065374 [1,1,0,0,0,0|2,0,0]=4 621 B11R1.27 CNCCCc1cnn(c1)C Amb15701216 [1,1,0,0,0,0|2,0,0]=4 622 B11R1.27 CSCCCc1c[n][n](C)c1 Amb25382939 [1,1,0,0,0,0|2,0,0]=4 623 B11R1.27 C[n]1cc(CCCCN)c[n]1 Amb18831077 [1,1,0,0,0,0|2,0,0]=4 624 B11R1.27 C[n]1cc(CCCCN)cc1 Amb18065379 [1,1,0,0,0,0|2,0,0]=4 625 B11R1.27 C[n]1cc(CCCCO)c[n]1 Amb24750758 [1,1,0,0,0,0|2,0,0]=4 626 B11R1.27 C[n]1cc(CCCCO)cc1 Amb18862497 [1,1,0,0,0,0|2,0,0]=4 627 B11R1.27 C[n]1cc(CCCCS)cc1 Amb18563917 [1,1,0,0,0,0|2,0,0]=4 628 B11R1.27 Cc1cc(CCCCC)c[nH]1 Amb24755210 [1,1,0,0,0,0|1,0,1]=4 629 B11R1.27 Cc1cc(CCCCN)[n]o1 Amb18200713 [1,1,0,0,0,0|1,0,1]=4 630 B11R1.27 Cc1cc(CCNCC)c[s]1 Amb25383217 [1,1,0,0,0,0|0,1,1]=4 631 B11R1.27 Cc1cc(CNCCC)[n]o1 Amb18182914 [1,1,0,0,0,0|1,0,1]=4 632 B11R1.27 Cc1cc(CNCCC)co1 Amb24766194 [1,1,0,0,0,0|0,0,1]=3 633 B11R1.27 Cc1cc(CNCCN)co1 Amb24766196 [1,1,0,0,0,0|1,0,1]=4 634 B11R1.27 Cc1cc(CNCCO)co1 Amb24766195 [1,1,0,0,0,0|1,0,1]=4 635 B11R1.27 Cc1cc(NCCCC)[n]o1 Amb25305377 [1,1,0,0,0,0|1,0,1]=4 636 B11R1.27 ClCCCCc1coc(Br)c1 Amb25380576 [1,1,0,0,0,0|1,0,1]=4 637 B11R1.39 CCC(Cl)Cc1cc(Br)oc1 Amb24646029 [1,1,0,0,0,0|1,0,1]=4 638 B11R1.39 CCC(O)Cc1c[n][n](C)c1 Amb18179540 [1,1,0,0,0,0|2,0,0]=4 639 B11R1.39 CCC(O)Cc1cc(Br)oc1 Amb25094112 [1,1,0,0,0,0|1,0,1]=4 640 B11R1.39 Cc1cc(CC(N)CC)c[s]1 Amb24412274 [1,1,0,0,0,0|0,1,1]=4 641 B11R1.75 CC(Cl)CCc1c[n][n](C)c1 Amb18794743 [1,1,0,0,0,0|2,0,0]=4 642 B11R1.75 CC(N)CCc1c[n](C)cc1 Amb18862490 [1,1,0,0,0,0|2,0,0]=4 643 B11R1.75 CC(N)CCc1c[n][n](C)c1 Amb18295613 [1,1,0,0,0,0|2,0,0]=4 644 B11R1.75 CC(N)CCc1coc(Br)c1 Amb25278916 [1,1,0,0,0,0|1,0,1]=4 645 B11R1.75 CC(O)CCc1c[n][n](C)c1 Amb18179542 [1,1,0,0,0,0|2,0,0]=4 646 B11R1.75 CC(O)CCc1coc(Br)c1 Amb25278839 [1,1,0,0,0,0|1,0,1]=4 647 B11R1.75 Cc1cc(CCC(C)Cl)c[s]1 Amb25838238 [1,1,0,0,0,0|0,1,1]=4 648 B11R1.75 Cc1cc(CCC(C)O)c[s]1 Amb24476258 [1,1,0,0,0,0|0,1,1]=4 649 B11R1.75 Cc1cc(CNC(C)C)co1 Amb18200966 [1,1,0,0,0,0|1,0,1]=4 650 B11R1.212 CC1=CC=C(CCCC)C1=O Amb24646676 [1,1,0,0,0,0|1,0,1]=4 651 B11R1.212 CCCCC1=CCC(C)C1=O Amb24467095 [1,1,0,0,0,0|1,0,0]=3 652 B11R1.214 CCCCC=1CC(CN)ON1 Amb25379565 [1,1,0,0,0,0|1,0,1]=4 653 B11R1.214 CCCCC=1CC(CO)ON1 Amb24762059 [1,1,0,0,0,0|1,0,1]=4 654 B11R1.214 CCCCc1cc(C=O)oc1 Amb25383224 [1,1,0,0,0,0|0,0,2]=4 655 B11R1.18 CCCCc1cc[s]c1C=O Amb25384316 [1,1,0,0,0,0|0,1,1]=4 656 B11R1.18 CCCCc1ccoc1C=O Amb24762937 [1,1,0,0,0,0|0,0,1]=3 657 B11R1.90 CC(=C)CCC1=CCCC1=O Amb24509594 [1,1,0,0,0,0|1,0,1]=4 658 B11R1.90 CC(C)CCC1=CCCC1=O Amb25189360 [1,1,0,0,0,0|1,0,0]=3 659 B11R1.90 CC(C)CCC1CCOC1=O Amb17672869 [1,1,0,0,0,0|0,0,2]=4 660 B11R1.90 CC(O)CCN1CCOC1=O Amb18800085 [1,1,0,0,0,0|1,0,1]=4 661 B11R1.90 Cc1occc1CCC(C)N Amb25773092 [1,1,0,0,0,0|1,0,1]=4 662 B11R1.180 CCCCCc1c[n]oc1Br Amb22584329 [1,1,0,0,0,0|2,0,0]=4 663 B11R1.180 CCCCN[C@H]1CCOC1=O Amb24762672 [1,1,0,0,0,0|0,0,2]=4 664 B11R1.180 CCCCSC1CCOC1=O Amb24755871 [1,1,0,0,0,0|0,0,2]=4 665 B11R1.180 CCCC\C=C\1/CCCC1=O Amb22552972 [1,1,0,0,0,0|1,0,1]=4 666 B11R1.180 CCCNCc1ccoc1Cl Amb25380334 [1,1,0,0,0,0|1,0,1]=4 667 B11R1.180 CCC\C=C\C1=CCCC1=O Amb25723115 [1,1,0,0,0,0|1,0,1]=4 668 B11R1.180 CCNCCN1CCOC1=O Amb19026699 [1,1,0,0,0,0|1,0,1]=4 669 B11R1.180 CCOCCC1=CCCC1=O Amb24765018 [1,1,0,0,0,0|1,0,0]=3 670 B11R1.180 CC\C=C/CC1=CCCC1=O Amb25767724 [1,1,0,0,0,0|1,0,1]=4 671 B11R1.180 CNCCCN1CCOC1=O Amb18306585 [1,1,0,0,0,0|1,0,1]=4 672 B11R1.180 Cc1o[n]cc1CCCCN Amb18200711 [1,1,0,0,0,0|2,0,0]=4 673 B11R1.180 Cc1o[n]cc1CNCCC Amb19019103 [1,1,0,0,0,0|2,0,0]=4 674 B11R1.180 N#CCCCC1=CCOC1=O Amb25291014 [1,1,0,0,0,0|0,0,1]=3 675 B11R1.180 O=C1OCCN1CCCCCl Amb18804714 [1,1,0,0,0,0|1,0,1]=4 676 B11R1.199 CCCC(Br)C1=CCOC1=O Amb25326037 [1,1,0,0,0,0|0,0,0]=2 677 B11R1.199 CCCC(N)c1ccoc1Br Amb25302519 [1,1,0,0,0,0|1,0,1]=4 678 B11R1.199 CCCC(O)C1=CCOC1=O Amb24684070 [1,1,0,0,0,0|0,0,0]=2 679 B11R1.199 CCCC(O)c1ccoc1Br Amb24761078 [1,1,0,0,0,0|1,0,1]=4 680 B11R1.199 CCCC(O)c1ccoc1Cl Amb25108450 [1,1,0,0,0,0|1,0,1]=4 681 B11R1.199 Cc1occc1C(N)CCC Amb18831091 [1,1,0,0,0,0|1,0,1]=4 682 B11R1.199 Cc1occc1C(O)CCC Amb24577199 [1,1,0,0,0,0|1,0,1]=4 683 B11R1.228 CCC(N)CN1CCOC1=O Amb18294748 [1,1,0,0,0,0|1,0,1]=4 684 B11R1.228 CCC(O)CN1CCOC1=O Amb18792062 [1,1,0,0,0,0|1,0,1]=4 685 B11R1.228 Cc1occc1CC(N)CC Amb18200967 [1,1,0,0,0,0|1,0,1]=4 686 B11R1.465 CC1=NOC(=O)C1CCCC Amb25071492 [1,1,0,0,0,0|1,0,1]=4 687 B11R1.465 CC=1C=CC(=O)C1CCCC Amb24364086 [1,1,0,0,0,0|1,0,1]=4 688 B11R1.465 CC=1CCC(=O)C1CCOC Amb25084963 [1,1,0,0,0,0|2,0,0]=4 689 B11R1.465 CC=1N=NC(=O)C1CCCC Amb24061992 [1,1,0,0,0,0|2,0,0]=4 690 B11R1.465 CC=1NCC(=O)C1CCCC Amb24382486 [1,1,0,0,0,0|2,0,0]=4 691 B11R1.465 CC=1NOC(=O)C1CCCC Amb24725267 [1,1,0,0,0,0|1,0,0]=3 692 B11R1.465 CC=1ONC(=O)C1CCCC Amb22491246 [1,1,0,0,0,0|2,0,0]=4 693 B11R1.465 CCCCC1=C(O)CCC1=O Amb25053333 [1,1,0,0,0,0|1,0,0]=3 694 B11R1.465 CCCCC1C(=O)CCC1=O Amb25373329 [1,1,0,0,0,0|1,0,1]=4 695 B11R1.465 CCCCC=1C(=O)CCC1Cl Amb25712995 [1,1,0,0,0,0|1,0,0]=3 696 B11R1.465 CCCCN1C(=O)CSC1=O Amb17743755 [1,1,0,0,0,0|1,1,0]=4 697 B11R1.465 CCCCc1c(N)[nH][nH]c1=O Amb24071026 [1,1,0,0,0,0|2,0,0]=4 698 B11R1.465 CCCCc1c(N)o[n]c1O Amb25139370 [1,1,0,0,0,0|2,0,0]=4 699 B11R1.465 CNCCN1C(=O)OCC1=O Amb22642617 [1,1,0,0,0,0|2,0,0]=4 700 B11R1.465 NCCCN1C(=O)COC1=O Amb22642591 [1,1,0,0,0,0|2,0,0]=4 701 B11R1.183 Cc1cc(SCC)c(C=O)o1 Amb25276187 [1,1,0,0,0,0|1,0,1]=4 702 B11R1.185 CCCC1CC(CO)OC1=O Amb25070786 [1,1,0,0,0,0|0,0,2]=4 703 B11R1.185 CCCN1CC(CBr)OC1=O Amb18763811 [1,1,0,0,0,0|1,0,1]=4 704 B11R1.185 CCCN1CC(CO)OC1=O Amb24733417 [1,1,0,0,0,0|1,0,1]=4 705 B11R1.185 CCCN1CC(OC1=O)CN Amb17077244 [1,1,0,0,0,0|1,0,1]=4 706 B11R1.225 CCC(N)c1cc(C)oc1C Amb18287719 [1,1,0,0,0,0|1,0,1]=4 707 B11R1.225 CCC(O)c1cc(C)oc1C Amb24643432 [1,1,0,0,0,0|1,0,1]=4 708 B11R1.225 CC[C@@H](N)c1cc(C)oc1C Amb25111568 [1,1,0,0,0,0|1,0,1]=4 709 B11R1.598 CC=1C(O)CC(=O)C1CCC Amb25839004 [1,1,0,0,0,0|2,0,0]=4 710 B11R1.598 CC=1OC(C)C(=O)C1OCC Amb24093490 [1,1,0,0,0,0|2,0,0]=4 711 B11R1.598 CCCC1=C(O)C(C)SC1=O Amb25142398 [1,1,0,0,0,0|0,1,0]=3 712 B11R1.598 CCCN1C(=O)N[C@@H](C)C1=O Amb25852694 [1,1,0,0,0,0|2,0,0]=4 713 B11R1.598 CCCN1C(=O)N[C@H](C)C1=O Amb25098216 [1,1,0,0,0,0|2,0,0]=4 714 B11R1.598 C[C@H]1OC(=O)C(CC=C)=C1O Amb24509243 [1,1,0,0,0,0|0,0,2]=4 715 B11R1.645 CC(=O)NC1=CC(C)OC1=O Amb24462828 [1,1,0,0,0,0|1,0,1]=4 716 B11R1.645 CC(CN1CC(OC1=O)C)O Amb10808129 [1,1,0,0,0,0|1,0,1]=4 717 B11R1.645 CC1C=C(CC(C)O)C(=O)O1 Amb25369355 [1,1,0,0,0,0|0,0,0]=2 718 B11R1.645 CC1CN(CC(C)Cl)C(=O)O1 Amb24090130 [1,1,0,0,0,0|1,0,1]=4 719 B11R1.645 CC1C\C(=C/C(C)Br)\C(=O)O1 Amb25835697 [1,1,0,0,0,0|0,0,2]=4 720 B11R1.645 C[C@H]1C=C(C[C@@H](C)O)C(=O)O1 Amb24605039 [1,1,0,0,0,0|0,0,0]=2 721 B11R1.362 CCCCN1CC(CO)C1=O Amb24750355 [0,1,0,0,1,0|1,0,1]=4 722 B11R1.365 CC=1C(O)C(=O)C1CCCC Amb25128953 [0,1,0,0,1,0|1,0,0]=3 723 B11R1.757 CCCCNC1=CC(=O)C1=O Amb24741583 [0,1,0,0,1,0|1,0,1]=4 724 B11R1.757 CCCCOC1=CC(=O)C1=O Amb25383141 [0,1,0,0,1,0|1,0,1]=4 725 B11R1.757 CCCCSC1=CC(=O)C1=O Amb24766635 [0,1,0,0,1,0|1,0,1]=4 726 B11R1.360 CC=1CC(=O)C1CCCCC Amb24764924 [0,1,0,0,1,0|1,0,1]=4 727 B13R1.369 CC1=CC=C(NCCCC)C(=O)N1 Amb24549385 [0,1,0,0,0,1|1,0,1]=4 728 B13R1.1601 CC=1NC(=O)C(CCCC)=C(Cl)N1 Amb24418494 [0,1,0,0,0,1|1,0,1]=4 729 B13R1.1601 CC=1NC(=O)C(CCCC)=C(N)N1 Amb24677553 [0,1,0,0,0,1|1,0,1]=4 730 B13R1.123 CC1=CC(=O)C=C(CCCC)C1=O Amb24379003 [0,1,0,0,0,1|1,0,1]=4 731 B13R1.125 CCCCC=1CC(C)(C)CC(=O)C1 Amb25804479 [0,1,0,0,0,1|1,0,1]=4 732 B13R1.3420 CC(C)CCC=1CC(C)CC(=O)C1 Amb25373735 [0,1,0,0,0,1|1,0,1]=4 733 B13R1.3420 CC1=CC(=CC(=O)O1)OCC(C)N Amb22642659 [0,1,0,0,0,1|1,0,1]=4 734 B13R1.3395 CCCCN1C(=O)NCC(C)C1=O Amb18328485 [0,1,0,0,0,1|2,0,0]=4 735 B13R1.680 Cc1oc(C)cc1C(O)CCCN Amb18191971 [0,2,0,0,0,0|1,0,1]=4 736 B13R1.700 CC(CC)C(N)c1cc(C)oc1C Amb18293656 [0,2,0,0,0,0|1,0,1]=4 737 B13R1.3465 CC(C)CC(N)c1cc(C)oc1C Amb18293653 [0,2,0,0,0,0|1,0,1]=4 738 B13R1.3465 CC(C)CC(O)c1cc(C)oc1C Amb24467861 [0,2,0,0,0,0|1,0,1]=4 739 B13R1.4456 CCCC(C)N1C(=O)C(C)NC1=O Amb25663389 [0,2,0,0,0,0|2,0,0]=4 740 B13R1.4456 CCCC(O)c1c(C)oc(C)c1C Amb24714259 [0,2,0,0,0,0|1,0,1]=4 741 B13R1.1623 CCCCN1C(=O)CC(C)(C)C1=O Amb24465919 [0,2,0,0,0,0|2,0,0]=4 742 B13R1.1623 CCCCN1C(=O)NC(C)(C)C1=O Amb19074726 [0,2,0,0,0,0|2,0,0]=4 743 B13R1.3020 NCC1CN(C(=O)O1)CCC(C)C Amb17077294 [0,2,0,0,0,0|1,0,1]=4 744 B13R1.484 CCCCN1C(=O)C(C)C(C)C1=O Amb24705307 [0,2,0,0,0,0|2,0,0]=4 745 B13R1.484 CN1C(C)C(=O)N(CCCC)C1=O Amb19068764 [0,2,0,0,0,0|2,0,0]=4 746 B13R1.3485 Cc1oc(C)cc1CNCC(C)O Amb23538309 [0,2,0,0,0,0|1,0,1]=4 747 B13R1.4697 CC1CC(=O)N(CC(F)CC)C1=O Amb25851984 [0,2,0,0,0,0|2,0,0]=4 748 B13R1.4697 CC1CC(=O)N(CC(N)CC)C1=O Amb18984894 [0,2,0,0,0,0|2,0,0]=4 749 B13R1.4697 CC1CC(=O)N(CC(O)CC)C1=O Amb19045706 [0,2,0,0,0,0|2,0,0]=4 750 B13R1.4697 CC1NC(=O)N(CC(F)CC)C1=O Amb25120713 [0,2,0,0,0,0|2,0,0]=4 751 B13R1.4697 CC1NC(=O)N(CC(O)CC)C1=O Amb24363265 [0,2,0,0,0,0|2,0,0]=4 752 B13R1.4697 CCC(C)CN1C(=O)C(C)NC1=O Amb24353974 [0,2,0,0,0,0|2,0,0]=4 753 B13R1.4697 CCC(C)C[C@@H]1[C@@H](O)[C@H](C)OC1=O Amb24581758 [0,2,0,0,0,0|0,0,2]=4 754 B13R1.3467 CC(C)CCN1C(=O)NC(C)C1=O Amb25695983 [0,2,0,0,0,0|2,0,0]=4 755 B13R1.3467 CC1CC(=O)N(CCC(C)F)C1=O Amb24343217 [0,2,0,0,0,0|2,0,0]=4 756 B13R1.3467 CC1CC(=O)N(CCC(C)N)C1=O Amb25784996 [0,2,0,0,0,0|2,0,0]=4 757 B13R1.3467 CC1CC(=O)N(CCC(C)O)C1=O Amb18328811 [0,2,0,0,0,0|2,0,0]=4 758 B13R1.3467 CC1NC(=O)N(CC[C@@H](C)O)C1=O Amb25797031 [0,2,0,0,0,0|2,0,0]=4 759 B11R1.16 CC(CC=O)C=1CCCCC1 Amb25713644 [0,0,1,1,0,0|1,0,0]=3 760 B11R1.16 C\C(=C/C=O)\C=1CCCCC1 Amb24707127 [0,0,1,1,0,0|1,0,1]=4 761 B11R1.78 CCCC\C=C\C1CC(=O)N1 Amb25385861 [0,0,1,1,0,0|1,0,0]=3 762 B11R1.117 Cl\C=C\C1CCCCCC=C1 Amb24634146 [0,0,1,1,0,0|2,0,0]=4 763 B11R1.117 O=CCC1CCCCCC=C1 Amb25075624 [0,0,1,1,0,0|1,0,0]=3 764 B11R1.117 O=C\C=C/1\CCCCCC=C1 Amb24512390 [0,0,1,1,0,0|1,0,1]=4 765 B11R1.34 CC1=CC(CCC)=CC(=O)O1 Amb20247494 [0,0,1,1,0,0|0,0,2]=4 766 B11R1.77 CC(C)OC(=O)N1CCCC1 Amb25333370 [0,0,1,1,0,0|1,0,1]=4 767 B11R1.77 CC(Cl)OC(=O)N1CCCC1 Amb25783940 [0,0,1,1,0,0|2,0,0]=4 768 B11R1.257 CC(C)OC(=O)C1CC1CC Amb24765722 [0,0,1,1,0,0|0,0,2]=4 769 B11R1.257 CC(C)OC(=O)[C@@H]1C[C@H]1CC Amb24765723 [0,0,1,1,0,0|0,0,2]=4 770 B11R1.484 CC(C)OC(=O)NC1CCC1 Amb25106769 [0,0,1,1,0,0|1,0,1]=4 771 B11R1.742 CC(C)OC=1CCCCCC1 Amb25761082 [0,0,1,1,0,0|1,0,1]=4 772 B11R1.17 CCCCC1=CCCCC1=O Amb25150316 [0,0,1,1,0,0|1,0,0]=3 773 B11R1.17 CCCCC1=CCOCC1=O Amb25143426 [0,0,1,1,0,0|2,0,0]=4 774 B11R1.17 CCCOC1=CCCCC1=O Amb24690539 [0,0,1,1,0,0|2,0,0]=4 775 B11R1.17 O=C1CCCC=C1CCCBr Amb25683474 [0,0,1,1,0,0|2,0,0]=4 776 B11R1.17 O=C1CCCC=C1CCCCl Amb25200985 [0,0,1,1,0,0|2,0,0]=4 777 B11R1.17 OCCCC1=CCCCC1=O Amb24456610 [0,0,1,1,0,0|2,0,0]=4 778 B11R1.85 C=C1CCCCCCCC1=O Amb25092923 [0,0,1,1,0,0|1,0,0]=3 779 B11R1.349 CC(C(=O)OCC)=C1CCC1 Amb25288662 [0,0,1,1,0,0|0,0,2]=4 780 B11R1.349 CCCC(=O)C(=O)C1CCC1 Amb24765360 [0,0,1,1,0,0|2,0,0]=4 781 B11R1.349 CCOC(=O)C(=O)N1CCC1 Amb22292345 [0,0,1,1,0,0|2,0,0]=4 782 B11R1.351 CCOC(=O)C(=O)CC1CC1 Amb21964610 [0,0,1,1,0,0|1,0,0]=3 783 B11R1.351 CCOC(=O)C(=O)NC1CC1 Amb10880004 [0,0,1,1,0,0|2,0,0]=4 784 B11R1.351 CCOC(=O)C(Cl)=NC1CC1 Amb24271179 [0,0,1,1,0,0|2,0,0]=4 785 B11R1.351 CCOC(=O)C(N)CC1CC1 Amb18177524 [0,0,1,1,0,0|1,0,1]=4 786 B11R1.351 CCOC(=O)C(N)CC1CC1 Amb20623799 [0,0,1,1,0,0|1,0,1]=4 787 B11R1.351 C\C(=C/C1CC1)\C(=O)OCC Amb24183345 [0,0,1,1,0,0|0,0,2]=4 788 B11R1.819 CCOC(=O)C1(C)CCCC1 Amb20414470 [0,0,1,1,0,0|0,0,2]=4 789 B11R1.819 CCOC(=O)C1(N)CCCC1 Amb17949628 [0,0,1,1,0,0|1,0,1]=4 790 B11R1.819 CCOC(=O)C1(O)CCCC1 Amb15690774 [0,0,1,1,0,0|1,0,1]=4 791 B11R1.834 CCC1CC1(N)C(=O)OCC Amb25385077 [0,0,1,1,0,0|1,0,1]=4 792 B11R1.976 CCC1CC(=C)C(=O)N1CO Amb24420723 [0,0,1,1,0,0|2,0,0]=4 793 B11R1.53 CC(O)C=1CCCCC1C#C Amb25085976 [0,0,1,1,0,0|1,0,1]=4 794 B11R1.53 CC(O)C=1CCCCC1C=C Amb25333478 [0,0,1,1,0,0|1,0,0]=3 795 B11R1.86 CC(=O)\C=C/1\CCCCC1=O Amb24416702 [0,0,1,1,0,0|0,0,2]=4 796 B11R1.86 CC(C)\C=C\1/CCCCC1=O Amb22823238 [0,0,1,1,0,0|1,0,0]=3 797 B11R1.86 CC(C)\C=C\1/CCCNC1=O Amb25324596 [0,0,1,1,0,0|2,0,0]=4 798 B11R1.86 CC(O)CN1CCCCC1=O Amb18791807 [0,0,1,1,0,0|1,0,1]=4 799 B11R1.86 CC/1CCCC\C1=C\C(C)O Amb25730355 [0,0,1,1,0,0|1,0,1]=4 800 B11R1.86 CN(C)\C=C\1/CCCCC1=O Amb21961651 [0,0,1,1,0,0|2,0,0]=4 801 B11R1.86 CN(C)\C=C\1/CCCCC1=O Amb22505737 [0,0,1,1,0,0|2,0,0]=4 802 B11R1.86 OC(=O)\C=C\1/CCCCC1=O Amb25701737 [0,0,1,1,0,0|1,0,1]=4 803 B11R1.245 O=C1CCCCCC(=C1)C=O Amb25131196 [0,0,1,1,0,0|0,0,2]=4 804 B11R1.281 C[C@@H]1CCC(C=O)=CC1(C)C Amb25821710 [0,0,1,1,0,0|1,0,0]=3 805 B11R1.372 CC1(C)C=C(CC1CO)C=O Amb25101491 [0,0,1,1,0,0|2,0,0]=4 806 B11R1.750 CCC(=CC(C)O)C1CC1C Amb25138972 [0,0,1,1,0,0|1,0,1]=4 807 B11R1.1062 CC(O)CC1(CCCC1)C=O Amb25784135 [0,0,1,1,0,0|0,0,2]=4 808 B11R1.21 CC1OC(=CCC1C)C(O)=O Amb24595766 [0,0,1,1,0,0|1,0,1]=4 809 B11R1.21 CN1C=C(CCC1O)C(O)=O Amb25101517 [0,0,1,1,0,0|2,0,0]=4 810 B11R1.21 OC(=O)C=1CCC(O)C(O)C1 Amb25032363 [0,0,1,1,0,0|2,0,0]=4 811 B11R1.21 OC(=O)C=1CC[C@@H](O)[C@@H](O)C1 Amb24565748 [0,0,1,1,0,0|2,0,0]=4 812 B11R1.21 OC(=O)C=1CC[C@@H](O)[C@H](O)C1 Amb25241514 [0,0,1,1,0,0|2,0,0]=4 813 B11R1.21 OC(=O)C=1CC[C@H](O)[C@H](O)C1 Amb25337766 [0,0,1,1,0,0|2,0,0]=4 814 B11R1.48 CC1CC(CC1CC)C(O)=O Amb24534431 [0,0,1,1,0,0|0,0,2]=4 815 B11R1.193 CC(=O)C1=CCCC1CCC Amb24356901 [0,0,1,1,0,0|1,0,0]=3 816 B11R1.193 CCCC1CCCC1C(O)=O Amb18644850 [0,0,1,1,0,0|0,0,2]=4 817 B11R1.193 CCCC1CCNC1C(O)=O Amb25241187 [0,0,1,1,0,0|1,0,1]=4 818 B11R1.193 CCC[C@@H]1CCC[C@H]1C(O)=O Amb24726338 [0,0,1,1,0,0|0,0,2]=4 819 B11R1.193 CCC[C@@H]1CCN[C@@H]1C(O)=O Amb24670482 [0,0,1,1,0,0|1,0,1]=4 820 B11R1.193 CCC[C@H]1CCN[C@@H]1C(O)=O Amb25198748 [0,0,1,1,0,0|1,0,1]=4 821 B11R1.266 CCC1CC(CCC1)C(O)=O Amb24486034 [0,0,1,1,0,0|0,0,2]=4 822 B11R1.266 CCC1CC(NCC1)C(O)=O Amb18830613 [0,0,1,1,0,0|1,0,1]=4 823 B11R1.266 CCN1CC(=CCC1)C(O)=O Amb18117359 [0,0,1,1,0,0|1,0,0]=3 824 B11R1.266 CC[C@@H]1C[C@@H](CCC1)C(O)=O Amb25179101 [0,0,1,1,0,0|0,0,2]=4 825 B11R1.266 COC1CC(=CCC1)C(O)=O Amb25109290 [0,0,1,1,0,0|1,0,0]=3 826 B11R1.420 CC(=O)C(CCCC)=C1CC1 Amb24766826 [0,0,1,1,0,0|1,0,0]=3 827 B11R1.420 CCCCC(C1CC1)C(O)=O Amb23589727 [0,0,1,1,0,0|0,0,2]=4 828 B11R1.497 CC1CCCC[C@H](N1)C(O)=O Amb25119161 [0,0,1,1,0,0|1,0,1]=4 829 B11R1.565 CC1CCCC(CC1)C(O)=O Amb24487583 [0,0,1,1,0,0|0,0,2]=4 830 B11R1.706 CC(O)C=1CCCCCCC1 Amb24705027 [0,0,1,1,0,0|1,0,1]=4 831 B11R1.706 NC(=O)C=1CCCCCCC1 Amb25258002 [0,0,1,1,0,0|1,0,0]=3 832 B11R1.706 OC(=O)C1CCCCCCC1 Amb18278612 [0,0,1,1,0,0|0,0,2]=4 833 B11R1.706 OC(=O)C=1CCCCCCC1 Amb25760819 [0,0,1,1,0,0|0,0,0]=2 834 B11R1.760 CCCC(C1CCC1)C(O)=O Amb23590263 [0,0,1,1,0,0|0,0,2]=4 835 B11R1.760 CCOC(C1CCC1)C(O)=O Amb25381723 [0,0,1,1,0,0|1,0,1]=4 836 B11R1.767 CCC1CC1(SCC)C(O)=O Amb24766157 [0,0,1,1,0,0|1,0,1]=4 837 B11R1.773 CCSC1(CCC1C)C(O)=O Amb25739212 [0,0,1,1,0,0|1,0,1]=4 838 B11R1.1239 CCCC1(CCCC1)C(O)=O Amb18300462 [0,0,1,1,0,0|0,0,2]=4 839 B11R1.1239 CCOC1(CCCC1)C(O)=O Amb18976726 [0,0,1,1,0,0|1,0,1]=4 840 B11R1.1239 CCSC1(CCCC1)C(O)=O Amb18291717 [0,0,1,1,0,0|1,0,1]=4 841 B11R2.1 Cc1[nH]cc2CCCCc21 Amb21964112 [1,0,0,1,0,0|1,0,1]=4 842 B11R2.1 Cc1[s]cc2CCCCc21 Amb25204266 [1,0,0,1,0,0|0,1,1]=4 843 B11R2.10 Cc1cc2CCNCc2o1 Amb18832359 [1,0,0,1,0,0|1,0,1]=4 844 B11R2.10 Cc1cc2CCSCc2o1 Amb25178154 [1,0,0,1,0,0|1,0,1]=4 845 B11R2.10 Cc1cc2CNCCc2o1 Amb23591022 [1,0,0,1,0,0|1,0,1]=4 846 B11R2.10 Cc1cc2COCCc2o1 Amb25243316 [1,0,0,1,0,0|1,0,1]=4 847 B11R2.10 Cc1cc2CSCCc2o1 Amb24652847 [1,0,0,1,0,0|1,0,1]=4 848 B11R2.352 Brc1occ(c1)C2CCC2 Amb10600910 [1,0,0,1,0,0|1,0,1]=4 849 B11R2.459 Brc1occc1C2CCC2 Amb13884536 [1,0,0,1,0,0|1,0,1]=4 850 B11R2.54 C[C@@H]1[C@H]2CCCC[C@H]2C1=O Amb25179576 [0,0,0,1,1,0|0,0,2]=4 851 B11R2.73 O=C1C2CC1CCCCC2 Amb24467605 [0,0,0,1,1,0|0,0,2]=4 852 B11R2.72 CC1CC(=O)C12CCCC2 Amb25146822 [0,0,0,1,1,0|1,0,1]=4 853 B11R2.72 CC1NC(=O)C12CCCC2 Amb24481054 [0,0,0,1,1,0|1,0,1]=4 854 B11R2.200 C[C@@]12CCCC[C@@H]1C(=O)N2 Amb25811658 [0,0,0,1,1,0|1,0,1]=4 855 B11R2.200 C[C@]12CC(=O)[C@H]1CCCC2 Amb24577810 [0,0,0,1,1,0|1,0,1]=4 856 B11R2.363 CC1CC=2NC(=O)C2CC1 Amb25122646 [0,0,0,1,1,0|1,0,1]=4 857 B13R2.328 CC1=CC(=O)C=2CCCCC2O1 Amb18548433 [0,0,0,1,0,1|1,0,1]=4 858 B13R2.328 CC1CC(=O)C=2CCCNC2C1 Amb24468697 [0,0,0,1,0,1|2,0,0]=4 859 B13R2.328 CC=1NC(=O)C=2CCCCC2N1 Amb18800796 [0,0,0,1,0,1|1,0,1]=4 860 B13R2.328 C[C@@H]1CC(=O)C=2CCCNC2C1 Amb25377065 [0,0,0,1,0,1|2,0,0]=4 861 B13R2.328 O=C1CC=2CCCCC2C(=O)O1 Amb24070833 [0,0,0,1,0,1|1,0,1]=4 862 B13R2.4719 O=C1CC2CC(CCCCC2)=C1 Amb25116523 [0,0,0,1,0,1|1,0,1]=4 863 B13R2.371 CC1CCC(=O)C=2CCCCC21 Amb25767753 [0,0,0,1,0,1|1,0,0]=3 864 B13R2.371 NC1C=CC(=O)C=2CCCCC21 Amb25724853 [0,0,0,1,0,1|2,0,0]=4 865 B13R2.7172 C[C@@H]1COC(=O)C2(CCCC2)N1 Amb18014340 [0,0,0,1,0,1|1,0,1]=4 866 B13R2.389 C[n]1cc2CCCCC(=O)c2c1 Amb25342698 [0,1,0,1,0,0|2,0,0]=4 867 B13R2.389 Cc1cc2C(O)CCCSc2o1 Amb24403880 [0,1,0,1,0,0|0,1,1]=4 868 B13R2.389 Cc1cc2CCCNC(=O)c2o1 Amb18828459 [0,1,0,1,0,0|1,0,1]=4 869 B13R2.4666 CC1CC(C(=O)O1)N2CCCC2 Amb24513646 [0,1,0,1,0,0|0,0,2]=4 870 B13R2.4666 CC1CN(C2CCNC2)C(=O)O1 Amb23598573 [0,1,0,1,0,0|1,0,1]=4 871 B13R2.4666 CC1C\C(\C(=O)O1)=C\2/CCCN2 Amb25047384 [0,1,0,1,0,0|0,0,2]=4 872 B13R2.4666 Cc1oc(C)cc1C2CCCN2 Amb19515530 [0,1,0,1,0,0|1,0,1]=4 873 B13R2.4666 Cc1oc(C)cc1[C@H]2CCCN2 Amb24392560 [0,1,0,1,0,0|1,0,1]=4 874 B13R2.4666 O=C1OC(=O)C=C1N2CCCC2 Amb24497653 [0,1,0,1,0,0|1,0,1]=4 875 B13R2.4857 CC1CCOC=2C(=O)CC(C)C21 Amb25066413 [0,1,0,1,0,0|1,0,0]=3 876 B13R2.10165 Cc1cc(C(N)C2CC2)c(C)o1 Amb18956567 [0,1,0,1,0,0|1,0,1]=4 877 B13R2.10165 Cc1cc(C(O)C2CC2)c(C)o1 Amb25074692 [0,1,0,1,0,0|1,0,1]=4 878 B13R2.2931 CCC1CC(=O)C=2CCCCC21 Amb24736457 [0,1,0,1,0,0|1,0,0]=3 879 B13R2.2931 NCC1OC(=O)N2CCCCC21 Amb24553304 [0,1,0,1,0,0|1,0,1]=4 880 B13R2.2931 O=Cc1nn(c2c1CCCC2)C Amb17064255 [0,1,0,1,0,0|2,0,0]=4 881 B13R2.3751 CC1(C)OC(=O)C=2CCC(=O)C12 Amb25767012 [0,1,0,1,0,0|1,0,1]=4 882 B13R2.12159 CC1(C)CC(=O)C=2OCCCC12 Amb25807550 [0,1,0,1,0,0|2,0,0]=4 883 B13R2.1317 O=C1OC(CCl)CN1C2CCC2 Amb25821119 [0,1,0,1,0,0|1,0,1]=4 884 B13R2.1317 OCC1CN(C2CCC2)C(=O)O1 Amb25792451 [0,1,0,1,0,0|1,0,1]=4 885 B13R2.2478 OC[C@H]1C[C@H](CC2CC2)C(=O)O1 Amb24588356 [0,1,0,1,0,0|0,0,2]=4 886 B13R2.3085 C[C@@H]1[C@@H](C)C=2CCCCC2C1=O Amb24620108 [0,1,0,1,0,0|1,0,0]=3 887 B13R2.4023 CC1=CC(=O)C=2CCCCCC21 Amb25322852 [0,1,0,1,0,0|1,0,1]=4 888 B13R2.4023 CC1CC(=O)C2=CCCCCC21 Amb24357261 [0,1,0,1,0,0|1,0,1]=4 889 B13R2.4023 CC1CC(=O)C=2CCCCCC21 Amb25793015 [0,1,0,1,0,0|1,0,0]=3 890 B13R2.4023 O=C1CC(C2=C1CCCCC2)O Amb17594132 [0,1,0,1,0,0|2,0,0]=4 891 B13R2.4023 O=C1OC(=O)C=2CCCCCC12 Amb22364776 [0,1,0,1,0,0|1,0,1]=4 892 B13R2.5187 CC1CC=2C(C)CC(=O)C2CC1 Amb25347631 [0,1,0,1,0,0|1,0,0]=3 893 B13R2.5187 CC1CCC=2C(C)CC(=O)C2O1 Amb24647824 [0,1,0,1,0,0|2,0,0]=4 894 B13R2.5187 CC1OC(=O)N2CCC(Cl)CC21 Amb24341543 [0,1,0,1,0,0|1,0,1]=4 895 B13R2.5187 CN1NC(=O)C=2CC(N)CCC12 Amb25364362 [0,1,0,1,0,0|2,0,0]=4 896 B13R2.5187 C[C@@H]1CCC=2[C@H](C)CC(=O)C2O1 Amb25373308 [0,1,0,1,0,0|2,0,0]=4 897 B13R2.3006 CC1NC(=O)N(C2CCC2)C1=O Amb25039150 [0,1,0,1,0,0|2,0,0]=4 898 B13R2.4001 CC1CC(=O)C2(CCCC2)C1=O Amb25086643 [0,1,0,1,0,0|1,0,1]=4 899 B13R2.10155 CC1NC(=O)N(C2CC2C)C1=O Amb25130222 [0,1,0,1,0,0|2,0,0]=4 900 B13R2.10155 C[C@@H]1NC(=O)N(C2CC2C)C1=O Amb25681288 [0,1,0,1,0,0|2,0,0]=4 901 B13R2.10155 C[C@H]1NC(=O)N(C2CC2C)C1=O Amb24431489 [0,1,0,1,0,0|2,0,0]=4 902 B9R0.47 CC(=C)C(=O)CCCCC Amb25146665 [0,0,1,0,1,0|0,0,2]=4 903 B9R0.47 CC(=C)C(=O)NCCCC Amb17933970 [0,0,1,0,1,0|1,0,1]=4 904 B9R0.47 CCCCCC(=O)C(C)Br Amb25277019 [0,0,1,0,1,0|1,0,1]=4 905 B9R0.47 CCCCCC(=O)C(C)N Amb24651748 [0,0,1,0,1,0|1,0,1]=4 906 B9R0.47 CCCCCC(=O)C(C)O Amb25146485 [0,0,1,0,1,0|1,0,1]=4 907 B9R0.47 CCCCCC(=O)[C@@H](C)O Amb25729179 [0,0,1,0,1,0|1,0,1]=4 908 B9R0.47 CCCCNC(=O)C(Br)C Amb17333014 [0,0,1,0,1,0|2,0,0]=4 909 B9R0.47 CCCCNC(=O)C(C)N Amb21958689 [0,0,1,0,1,0|2,0,0]=4 910 B9R0.47 CCCCNC(=O)C(C)S Amb25806494 [0,0,1,0,1,0|2,0,0]=4 911 B9R0.47 CCCCNC(=O)[C@@H](C)N Amb18014636 [0,0,1,0,1,0|2,0,0]=4 912 B9R0.47 CCCCNC(=O)[C@@H](C)O Amb25740293 [0,0,1,0,1,0|2,0,0]=4 913 B9R0.47 CCCCNC(=O)[C@H](C)Cl Amb24482335 [0,0,1,0,1,0|2,0,0]=4 914 B9R0.47 CCCCOC(=O)C(C)=C Amb22338478 [0,0,1,0,1,0|1,0,1]=4 915 B9R0.47 CCCCOC(=O)C(C)=C Amb22363339 [0,0,1,0,1,0|1,0,1]=4 916 B9R0.47 CCCCOC(=O)C(C)S Amb25098485 [0,0,1,0,1,0|2,0,0]=4 917 B9R0.47 CCCCOC(=O)[C@@H](C)Cl Amb25101546 [0,0,1,0,1,0|2,0,0]=4 918 B9R0.47 CCCCOC(=O)[C@@H](C)N Amb22744849 [0,0,1,0,1,0|2,0,0]=4 919 B9R0.47 CCCCOC(=O)[C@@H](C)O Amb22800542 [0,0,1,0,1,0|2,0,0]=4 920 B9R0.47 CCCC\C=C(\C)/C(C)O Amb25769451 [0,0,1,0,1,0|2,0,0]=4 921 B9R0.47 CCC\C=C\C(=O)C(C)C Amb24512557 [0,0,1,0,1,0|0,0,2]=4 922 B9R0.47 CCC\C=C\C(=O)C(C)O Amb24502165 [0,0,1,0,1,0|1,0,1]=4 923 B9R0.47 CCC\N=C\C(=O)C(C)C Amb24584514 [0,0,1,0,1,0|1,0,1]=4 924 B9R1.9 CCCCC=1CC(O)C1 Amb25204732 [1,0,0,0,1,0|1,0,1]=4 925 B9R1.154 CC1NC(=O)C1CCC Amb25772709 [1,0,0,0,1,0|1,0,1]=4 926 B9R1.76 CC=1C(=O)C1CCCC Amb24577793 [0,0,0,0,2,0|0,0,1]=3 927 B11R0.46 CCCCOC(=O)COC(C)C Amb15692602 [0,0,1,0,0,1|1,0,1]=4 928 B11R1.1 Cc1[n]cc(CCCC)c[n]1 Amb24071081 [1,0,0,0,0,1|1,0,1]=4 929 B11R1.1 Cc1ccc(CCCC)[n]c1 Amb24676615 [1,0,0,0,0,1|1,0,1]=4 930 B11R1.1 Cc1ccc(CCCC)cc1 Amb22002059 [1,0,0,0,0,1|1,0,1]=4