0 B14R1.122 CCCCCCCCC1CCC(=O)O1 Amb10071536 [0,0,0,0,0,0|0,0,0]=0 1 B13R1.27 CCCCCCCC1CCC(=O)O1 Amb1154110 [1,0,0,0,0,0|0,0,0]=1 2 B13R1.27 OCCCC#CCC1CCC(=O)O1 Amb24404728 [1,0,0,0,0,0|1,0,2]=4 3 B13R1.27 OCCCCC#CC1CCC(=O)O1 Amb24613448 [1,0,0,0,0,0|1,0,2]=4 4 B13R1.119 CCCCCCCCC1OCCO1 Amb22364938 [1,0,0,0,0,0|1,0,1]=3 5 B13R1.119 CCCCCCCCc1ccco1 Amb22734864 [1,0,0,0,0,0|0,0,3]=4 6 B13R1.119 CCCCCCCCc1ocnn1 Amb2208689 [1,0,0,0,0,0|2,0,1]=4 7 B13R1.119 CCCCCCNCC1OCCO1 Amb25757018 [1,0,0,0,0,0|2,0,1]=4 8 B13R1.119 CCCNCCNCC1CCCO1 Amb19076056 [1,0,0,0,0,0|2,0,1]=4 9 B13R1.119 CCNCCCNCC1CCCO1 Amb19058771 [1,0,0,0,0,0|2,0,1]=4 10 B13R1.119 OCCCCCCCC1OCCO1 Amb25855845 [1,0,0,0,0,0|2,0,1]=4 11 B15R1.34 CCCCCCCCNC1=NC(=O)CS1 Amb16190 [0,1,0,0,0,0|2,0,1]=4 12 B15R1.5365 CCCCCCCCC1CC(=O)OC1=O Amb1953624 [0,1,0,0,0,0|2,0,1]=4 13 B13R0.54 BrCCCCCCCCCCC(=O)N Amb16207966 [0,0,1,0,0,0|2,0,0]=3 14 B13R0.54 CCCCCCCCCC=CC(=O)O Amb13952752 [0,0,1,0,0,0|0,0,2]=3 15 B13R0.54 CCCCCCCCCCCC(=C)Br Amb19886460 [0,0,1,0,0,0|2,0,0]=3 16 B13R0.54 CCCCCCCCCCCC(=N)N Amb10568321 [0,0,1,0,0,0|2,0,0]=3 17 B13R0.54 CCCCCCCCCCCC(=S)N Amb13953232 [0,0,1,0,0,0|1,1,0]=3 18 B13R0.54 CCCCCCCCCCCC(C)=C Amb19886457 [0,0,1,0,0,0|2,0,0]=3 19 B13R0.54 CCCCCCCCCCCC(C)Br Amb22734063 [0,0,1,0,0,0|2,0,1]=4 20 B13R0.54 CCCCCCCCCCCC(C)N Amb21953727 [0,0,1,0,0,0|2,0,1]=4 21 B13R0.54 CCCCCCCCCCCC(O)=O Amb22348404 [0,0,1,0,0,0|0,0,0]=1 22 B13R0.54 CCCCCCCCCCCC(O)=O Amb22730643 [0,0,1,0,0,0|0,0,0]=1 23 B13R0.54 CCCCCCCCCCCC([O-])=O Amb17942849 [0,0,1,0,0,0|0,0,1]=2 24 B13R0.54 CCCCCCCCCCCC([O-])=O Amb22729066 [0,0,1,0,0,0|0,0,1]=2 25 B13R0.54 CCCCCCCCCCCC([O-])=O Amb22730602 [0,0,1,0,0,0|0,0,1]=2 26 B13R0.54 CCCCCCCCCCCC([O-])=O Amb22730786 [0,0,1,0,0,0|0,0,1]=2 27 B13R0.54 CCCCCCCCCCCC([O-])=O Amb22731774 [0,0,1,0,0,0|0,0,1]=2 28 B13R0.54 CCCCCCCCCCCC([O-])=O Amb22731775 [0,0,1,0,0,0|0,0,1]=2 29 B13R0.54 CCCCCCCCCCCC([O-])=O Amb22733752 [0,0,1,0,0,0|0,0,1]=2 30 B13R0.54 CCCCCCCCCCC[13C](O)=O Amb21928681 [0,0,1,0,0,0|0,0,0]=1 31 B13R0.54 CCCCCCCCCCC[14C](O)=O Amb22349630 [0,0,1,0,0,0|0,0,0]=1 32 B13R0.54 CCCCCCCCCCNC(=O)N Amb2228230 [0,0,1,0,0,0|2,0,0]=3 33 B13R0.54 CCCCCCCCCCOC(=O)Cl Amb22337976 [0,0,1,0,0,0|2,0,0]=3 34 B13R0.54 CCCCCCCCCCOC([S-])=S Amb22334119 [0,0,1,0,0,0|1,2,0]=4 35 B13R0.54 CCCCCCCCCCOP(O)O Amb22049477 [0,0,1,0,0,0|2,0,1]=4 36 B13R0.54 CCCCCCCCCC[13CH2]C(O)=O Amb22353612 [0,0,1,0,0,0|0,0,0]=1 37 B13R0.54 CCCCCCCCCC[13CH2][13C](O)=O Amb22353611 [0,0,1,0,0,0|0,0,0]=1 38 B13R0.54 CCCCCCCCSCCC(=O)N Amb10669601 [0,0,1,0,0,0|2,0,0]=3 39 B13R0.54 CCCCCCCCSCCC(=O)O Amb1038994 [0,0,1,0,0,0|1,0,0]=2 40 B13R0.54 CCCCCCCC[13CH2][13CH2][13CH2][13C](O)=O Amb22353609 [0,0,1,0,0,0|0,0,0]=1 41 B13R0.54 CCCCCC\C=C/CCCC(O)=O Amb20672025 [0,0,1,0,0,0|0,0,2]=3 42 B13R0.54 CCCCSCCCCCCC(=O)O Amb1036584 [0,0,1,0,0,0|1,0,0]=2 43 B13R0.54 N#CCCCCCCCCCC(O)=O Amb22547629 [0,0,1,0,0,0|1,0,1]=3 44 B13R0.54 NCCCCCCCCCCC(=O)Cl Amb17143769 [0,0,1,0,0,0|2,0,0]=3 45 B13R0.54 NCCCCCCCCCCC([O-])=O Amb22353821 [0,0,1,0,0,0|1,0,1]=3 46 B13R0.54 OCCCCCCCCCCC(=O)O Amb1814707 [0,0,1,0,0,0|1,0,0]=2 47 B13R0.54 [13CH3]CCCCCCCCCCC(O)=O Amb22353502 [0,0,1,0,0,0|0,0,0]=1 48 B13R0.54 [13CH3]CCCCCCCCCC[13C](O)=O Amb22353610 [0,0,1,0,0,0|0,0,0]=1 49 B13R0.66 CCCCC(O)CCCCCCCC Amb22230023 [0,0,1,0,0,0|1,0,1]=3 50 B13R0.147 CCCCCCCCC#CC(=O)OC Amb22228923 [0,0,1,0,0,0|2,0,1]=4 51 B13R0.147 CCCCCCCCCCC(=O)C=O Amb24084923 [0,0,1,0,0,0|2,0,1]=4 52 B13R0.147 CCCCCCCCCCC(O)CC Amb22229414 [0,0,1,0,0,0|1,0,2]=4 53 B13R0.147 CCCCCCCCCNC(=O)CCl Amb17797886 [0,0,1,0,0,0|2,0,0]=3 54 B13R0.147 CCCCCCCCCOC(=O)C=C Amb20670989 [0,0,1,0,0,0|0,0,2]=3 55 B13R0.147 CCCCCCCCCOC(=O)CS Amb22369347 [0,0,1,0,0,0|1,0,0]=2 56 B13R0.147 CCCCCCC\C=C\CC(=O)CC Amb21963232 [0,0,1,0,0,0|1,0,2]=4 57 B13R0.147 CCCCCCOCCOC(=O)C=C Amb17934068 [0,0,1,0,0,0|1,0,2]=4 58 B13R0.147 CNC(=O)CCNCCCCCCC Amb18333360 [0,0,1,0,0,0|3,0,0]=4 59 B13R0.147 NCCCCCCCCNC(=O)CBr Amb19981082 [0,0,1,0,0,0|3,0,0]=4 60 B13R0.147 OCCCCCCCCCC(=O)OC Amb13887310 [0,0,1,0,0,0|3,0,0]=4 61 B13R0.335 CCCCCCCCC(O)CC(O)=O Amb21928763 [0,0,1,0,0,0|3,0,0]=4 62 B13R0.335 CCCCCCCNC(C)CC(N)=O Amb20090477 [0,0,1,0,0,0|3,0,0]=4 63 B15R2.70 CCCC1CNCCC12CNC(=O)O2 Amb25323978 [0,0,0,1,0,0|2,0,0]=3 64 B15R2.119 CCC1CCCC1NC2CC(=O)NC2 Amb25715626 [0,0,0,1,0,0|3,0,0]=4 65 B15R2.119 NCC1CCCN1CC2CCC(=O)N2 Amb25261449 [0,0,0,1,0,0|3,0,0]=4 66 B15R2.119 NCC1CCCN1CC2CNC(=O)O2 Amb24634867 [0,0,0,1,0,0|3,0,0]=4 67 B15R2.119 OCC1CCCN1CC2CCC(=O)N2 Amb25184000 [0,0,0,1,0,0|3,0,0]=4 68 B15R2.119 OCC1CCCN1CC2CNC(=O)O2 Amb19090198 [0,0,0,1,0,0|3,0,0]=4 69 B15R2.119 OC[C@@H]1CCCN1CC2CCC(=O)N2 Amb25200868 [0,0,0,1,0,0|3,0,0]=4 70 B15R2.119 OC[C@@H]1CCCN1CC2CNC(=O)O2 Amb25798786 [0,0,0,1,0,0|3,0,0]=4 71 B15R2.119 OC[C@H]1CCCN1CC2CNC(=O)O2 Amb24535271 [0,0,0,1,0,0|3,0,0]=4 72 B15R2.277 CCSC1CCCC1N2CC(=O)CC2 Amb25336229 [0,0,0,1,0,0|3,0,0]=4 73 B15R2.283 CC1CCC(CCC2CCCCN2)O1 Amb24359456 [0,0,0,1,0,0|2,0,1]=4 74 B15R2.283 CC1CCC(CCC2CCNCC2)O1 Amb25079585 [0,0,0,1,0,0|2,0,1]=4 75 B15R2.283 ClC1CC(CC1)CCC2CCCCC2 Amb25823308 [0,0,0,1,0,0|2,0,1]=4 76 B15R2.283 NC1=NC(CO1)CCC2CCCCC2 Amb24692193 [0,0,0,1,0,0|3,0,0]=4 77 B15R2.283 NC=1NC(CN1)CCC2CCCCC2 Amb25321335 [0,0,0,1,0,0|3,0,0]=4 78 B15R2.283 O=C1CC(CC1)CCC2CCOCC2 Amb25666799 [0,0,0,1,0,0|2,0,0]=3 79 B15R2.283 O=C1CC(CC1)NCC2CCOCC2 Amb25282913 [0,0,0,1,0,0|3,0,0]=4 80 B15R2.283 O=C1CC(CC1)OCC2CCCCO2 Amb25677067 [0,0,0,1,0,0|3,0,0]=4 81 B15R2.283 O=C1CC(CCC2CCCCC2)CC1 Amb25796578 [0,0,0,1,0,0|1,0,0]=2 82 B15R2.283 O=C1CC(CN1)CCN2CCCCC2 Amb25786253 [0,0,0,1,0,0|3,0,0]=4 83 B15R2.283 O=C1CC(CN1)NCC2CCCCC2 Amb25825484 [0,0,0,1,0,0|3,0,0]=4 84 B15R2.283 O=C1CCC(=C1)NCC2CCCCC2 Amb24668502 [0,0,0,1,0,0|2,0,1]=4 85 B15R2.283 O=C1CCC(CCC2CCOCC2)=C1 Amb25666944 [0,0,0,1,0,0|2,0,1]=4 86 B15R2.283 O=C1CCC(CNC2CCCCC2)N1 Amb25738969 [0,0,0,1,0,0|2,0,0]=3 87 B15R2.283 O=C1CCC(CNC2CNCCC2)N1 Amb25056167 [0,0,0,1,0,0|3,0,0]=4 88 B15R2.283 O=C1CCC(CNN2CCCCC2)N1 Amb25782311 [0,0,0,1,0,0|3,0,0]=4 89 B15R2.283 O=C1CCC(COC2CCNCC2)N1 Amb23598366 [0,0,0,1,0,0|3,0,0]=4 90 B15R2.283 O=C1CC[C@@H](COC2CCCCO2)O1 Amb22887008 [0,0,0,1,0,0|2,0,0]=3 91 B15R2.283 O=C1CC[C@@H](COC2CCNCC2)N1 Amb23598404 [0,0,0,1,0,0|3,0,0]=4 92 B15R2.283 O=C1CN(CC1)CCN2CCCCC2 Amb24697725 [0,0,0,1,0,0|3,0,0]=4 93 B15R2.283 O=C1CN(CCC2CCCCC2)CC1 Amb19052752 [0,0,0,1,0,0|2,0,0]=3 94 B15R2.283 O=C1NC(CO1)CCC2CCCCC2 Amb25240962 [0,0,0,1,0,0|2,0,0]=3 95 B15R2.283 O=C1NCC(CNC2CCSCC2)O1 Amb25372764 [0,0,0,1,0,0|3,0,0]=4 96 B15R2.283 O=C1NCC(CNC2COCCC2)O1 Amb25706830 [0,0,0,1,0,0|3,0,0]=4 97 B15R2.283 O=C1NCC(COC2CNCCC2)O1 Amb24381634 [0,0,0,1,0,0|3,0,0]=4 98 B15R2.283 OC1CC(CC1)CCC2CCCCC2 Amb24758783 [0,0,0,1,0,0|1,0,2]=4 99 B15R2.286 O=C1CCC(=C1)NCCC2CCCC2 Amb24419179 [0,0,0,1,0,0|2,0,1]=4 100 B15R2.287 CC1CCCC1NCC2CCC(C)O2 Amb25323120 [0,0,0,1,0,0|2,0,1]=4 101 B15R2.287 CC1OCCC1NCC2CNC(=O)O2 Amb24337840 [0,0,0,1,0,0|3,0,0]=4 102 B15R2.287 CC1SCCC1NCC2CCC(=O)N2 Amb25692549 [0,0,0,1,0,0|3,0,0]=4 103 B15R2.287 C[C@H]1OCC[C@H]1NCC2CCC(=O)N2 Amb25310268 [0,0,0,1,0,0|3,0,0]=4 104 B15R2.287 C[C@H]1OCC[C@H]1NCC2CNC(=O)O2 Amb24339866 [0,0,0,1,0,0|3,0,0]=4 105 B15R2.287 NC1CCCC1OCC2CCC(=O)N2 Amb25295090 [0,0,0,1,0,0|3,0,0]=4 106 B15R2.287 O[C@H]1CCC[C@@H]1NCC2CCC(=O)N2 Amb25200874 [0,0,0,1,0,0|3,0,0]=4 107 B15R2.305 CC1CCC(CC2CCCCC2Br)O1 Amb25786107 [0,0,0,1,0,0|2,0,1]=4 108 B15R2.305 CC1CCC(CC2CCCCC2Cl)O1 Amb24436130 [0,0,0,1,0,0|2,0,1]=4 109 B15R2.305 CC1CCC(CC2CCCCC2O)O1 Amb24641306 [0,0,0,1,0,0|2,0,1]=4 110 B15R2.305 CC1CCCCC1CN2CC(=O)CC2 Amb19052780 [0,0,0,1,0,0|2,0,0]=3 111 B15R2.305 CC1CCCCC1NC2CC(=O)NC2 Amb25214063 [0,0,0,1,0,0|3,0,0]=4 112 B15R2.305 CC1CCCCC1NC=2CCC(=O)C2 Amb24423545 [0,0,0,1,0,0|2,0,1]=4 113 B15R2.305 CC1CCCCN1CC2CN=C(N)O2 Amb24677782 [0,0,0,1,0,0|3,0,0]=4 114 B15R2.305 CC1CNCCN1CC2CNC(=O)O2 Amb18963088 [0,0,0,1,0,0|3,0,0]=4 115 B15R2.305 CN1CCCCC1CN2CCC(=O)C2 Amb19081906 [0,0,0,1,0,0|3,0,0]=4 116 B15R2.305 C[C@@H]1CNCCN1CC2CNC(=O)O2 Amb25372484 [0,0,0,1,0,0|3,0,0]=4 117 B15R2.305 OC1CCCCC1CC2=CCC(=O)O2 Amb25048502 [0,0,0,1,0,0|1,0,2]=4 118 B15R2.305 O[C@H]1CCCC[C@@H]1CC2=CCC(=O)O2 Amb25266808 [0,0,0,1,0,0|1,0,2]=4 119 B15R2.2189 CC1CCC(O1)C2CCNCC2CC Amb24375015 [0,0,0,1,0,0|2,0,1]=4 120 B15R2.2189 CCC1CCCCC1C2CC(=O)NC2 Amb25352838 [0,0,0,1,0,0|2,0,0]=3 121 B15R2.2189 CCC1CCCCC1C2CC(Br)CC2 Amb25706235 [0,0,0,1,0,0|2,0,1]=4 122 B15R2.2189 CCC1CCCCC1C2CC(Cl)CC2 Amb24749976 [0,0,0,1,0,0|2,0,1]=4 123 B15R2.2189 CCC1CCCCC1C=2CCC(=O)C2 Amb24697451 [0,0,0,1,0,0|1,0,1]=3 124 B15R2.2189 CCC1CCCCC1N2CC(=O)CC2 Amb19052764 [0,0,0,1,0,0|2,0,0]=3 125 B15R2.2189 CCC1CCCCN1C2CC(=O)CC2 Amb25734813 [0,0,0,1,0,0|2,0,0]=3 126 B15R2.2189 OCC1CCCCN1C2CC(=O)CC2 Amb24593120 [0,0,0,1,0,0|3,0,0]=4 127 B15R2.6885 CC1CCCCCN1C=2CCC(=O)C2 Amb25135756 [0,0,0,1,0,0|2,0,1]=4 128 B15R2.6887 NC=1NC(CN1)C2CCCCCCC2 Amb25668387 [0,0,0,1,0,0|3,0,0]=4 129 B15R2.6962 CC1CCC(CC2CCCCCN2)O1 Amb25134637 [0,0,0,1,0,0|2,0,1]=4 130 B15R2.6962 CC1CCC(CC2CCNCCC2)O1 Amb25327155 [0,0,0,1,0,0|2,0,1]=4 131 B15R2.6962 CC1CCC(CC2CNCCCC2)O1 Amb24728975 [0,0,0,1,0,0|2,0,1]=4 132 B15R2.6962 NC1=NCC(CN2CCCCCC2)O1 Amb25697025 [0,0,0,1,0,0|3,0,0]=4 133 B15R2.6962 NC=1NC(CC2CCCCCC2)CN1 Amb25258074 [0,0,0,1,0,0|3,0,0]=4 134 B15R2.6962 O=C1CC(CN1)NC2CCCCCC2 Amb25261582 [0,0,0,1,0,0|3,0,0]=4 135 B15R2.6962 O=C1CC[C@@H](CN2CCCCCC2)N1 Amb25315227 [0,0,0,1,0,0|2,0,0]=3 136 B15R2.6962 O=C1NCC(CC2CCCCCC2)O1 Amb25257761 [0,0,0,1,0,0|1,0,0]=2 137 B15R2.16519 CCCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12 Amb22489277 [0,0,0,1,0,0|3,0,0]=4 138 B15R1.106 CCCCCCCCC1CCCC(=O)O1 Amb22732769 [0,0,0,0,0,1|0,0,0]=1 139 B12R0.5 C=CCCCCCCCCCCBr Amb22899287 [1,0,1,0,0,0|2,0,0]=4 140 B12R0.5 C=CCCCCCCCCCCN Amb24120407 [1,0,1,0,0,0|2,0,0]=4 141 B12R0.5 CCCCCCCCCCCCCl Amb22733144 [1,0,1,0,0,0|1,0,1]=4 142 B12R0.5 CCCCCCCCCCCCN Amb22366429 [1,0,1,0,0,0|1,0,1]=4 143 B12R0.5 CCCCCCCCCCCC[14CH3] Amb22352523 [1,0,1,0,0,0|1,0,1]=4 144 B12R0.5 CCCCCCCCCCCC[15NH2] Amb22362752 [1,0,1,0,0,0|1,0,1]=4 145 B12R0.5 CCCCCCCCCCCC[NH3+] Amb22049481 [1,0,1,0,0,0|1,0,1]=4 146 B12R0.5 CCCCCCCCCCC[13CH2]Br Amb22338410 [1,0,1,0,0,0|1,0,1]=4 147 B12R0.5 CCCCCCCCCCC[13CH2]O Amb22362751 [1,0,1,0,0,0|0,0,1]=3 148 B12R0.5 CCCCCCCCCCC[Mg]Br Amb22897368 [1,0,1,0,0,0|2,0,0]=4 149 B12R0.5 CCCCCCCCCCN=C=O Amb22348014 [1,0,1,0,0,0|1,0,1]=4 150 B12R0.5 CCCCCCCCCCOC=C Amb22735088 [1,0,1,0,0,0|2,0,0]=4 151 B12R0.5 CCCCCCCCCCOCC Amb24056425 [1,0,1,0,0,0|2,0,0]=4 152 B12R0.5 CCCCCCCCCC\C=C\Cl Amb22731233 [1,0,1,0,0,0|1,0,1]=4 153 B12R0.5 CCCCCCCCC\C=C\C=O Amb22351858 [1,0,1,0,0,0|0,0,2]=4 154 B12R0.5 CCCCCCCCC\C=C\CO Amb22350397 [1,0,1,0,0,0|2,0,0]=4 155 B12R0.5 CCCCCCCC\C=C\CC=O Amb22735030 [1,0,1,0,0,0|0,0,2]=4 156 B12R0.5 CCOCCCCCCCCCO Amb22233218 [1,0,1,0,0,0|1,0,1]=4 157 B12R0.5 CC\C=C\CCCCCCCCO Amb22731394 [1,0,1,0,0,0|2,0,0]=4 158 B12R0.5 OCCCCCCCCCCCO Amb15692712 [1,0,1,0,0,0|1,0,1]=4 159 B12R0.234 C=CCCCCCCCCC(O)=O Amb22353389 [1,0,1,0,0,0|0,0,2]=4 160 B12R0.234 C=CCCCCCCCCC(O)=O Amb22731323 [1,0,1,0,0,0|0,0,2]=4 161 B12R0.234 CC(=O)OCCCCCCCC=C Amb22733550 [1,0,1,0,0,0|0,0,2]=4 162 B12R0.234 CC(=O)OCCCCCCCCBr Amb24063233 [1,0,1,0,0,0|1,0,0]=3 163 B12R0.234 CCCCCCCC/C=C/C(O)=O Amb17942922 [1,0,1,0,0,0|0,0,2]=4 164 B12R0.234 CCCCCCCCCCB(O)O Amb19958787 [1,0,1,0,0,0|1,0,1]=4 165 B12R0.234 CCCCCCCCCOC(=O)Cl Amb22732385 [1,0,1,0,0,0|1,0,0]=3 166 B12R0.234 CCCCCCCCCOC([S-])=S Amb19748280 [1,0,1,0,0,0|1,1,0]=4 167 B12R0.234 CCCCCC\C=C\COC(C)=O Amb22231667 [1,0,1,0,0,0|0,0,2]=4 168 B12R0.234 CC\C=C/CCCCCOC(C)=O Amb22734451 [1,0,1,0,0,0|0,0,2]=4 169 B12R0.234 COCCCOCCCOC(C)=O Amb22347959 [1,0,1,0,0,0|2,0,0]=4 170 B12R0.234 NCCCCCCCCCC(=O)O Amb2229638 [1,0,1,0,0,0|1,0,0]=3 171 B12R0.1 CCCCCCCCC(C)CCC Amb22734087 [1,0,1,0,0,0|1,0,1]=4 172 B12R0.248 CCCCCCCCC[14C](=O)O[Na] Amb22352051 [1,0,1,0,0,0|2,0,0]=4 173 B12R0.248 CCCCCCCCNC(=O)CBr Amb17329848 [1,0,1,0,0,0|2,0,0]=4 174 B12R0.248 CCCCCCCCNC(=O)CN Amb24115163 [1,0,1,0,0,0|2,0,0]=4 175 B12R0.248 CCCCCCCCOC(=O)CS Amb22735097 [1,0,1,0,0,0|1,0,0]=3 176 B12R0.248 CCCCCCCCOC(=O)C[NH3+] Amb22049491 [1,0,1,0,0,0|1,0,0]=3 177 B12R0.248 CNCCCCCCCC(=O)OC Amb24331961 [1,0,1,0,0,0|2,0,0]=4 178 B12R0.248 OCCCCCCCCC(=O)OC Amb17616943 [1,0,1,0,0,0|2,0,0]=4 179 B12R0.57 CCCCCCCCC(OC)OC Amb10559987 [1,0,1,0,0,0|1,0,1]=4 180 B12R0.4 CCCCCCCC(C)OC(C)=O Amb22734609 [1,0,1,0,0,0|0,0,0]=2 181 B12R0.4 CCCCCCOC(C)NC(C)=O Amb24096324 [1,0,1,0,0,0|2,0,0]=4 182 B12R1.7 CCCC#CCC1CCC(=O)O1 Amb22172847 [2,0,0,0,0,0|0,0,2]=4 183 B12R1.7 CCCCCCC1NC(=O)CS1 Amb22442619 [2,0,0,0,0,0|2,0,0]=4 184 B12R1.7 CCCCCC[C@@H]1CCC(=O)O1 Amb18511855 [2,0,0,0,0,0|0,0,0]=2 185 B12R1.7 CC\C=C/CCC1CCC(=O)O1 Amb22353125 [2,0,0,0,0,0|0,0,2]=4 186 B12R1.37 CCCCCCCC1OCCO1 Amb25368281 [2,0,0,0,0,0|1,0,1]=4 187 B14R0.68 C=C(F)CCCCCCCCCC(O)=O Amb22641506 [0,1,1,0,0,0|0,0,2]=4 188 B14R0.68 CC(C)CCCCCCCCCC(O)=O Amb21928797 [0,1,1,0,0,0|0,0,0]=2 189 B14R0.68 OC(=O)CCCCCCCCCC(=O)O Amb10807546 [0,1,1,0,0,0|1,0,1]=4 190 B14R0.88 CCCCCCCCCCCP(O)(O)=O Amb22388785 [0,1,1,0,0,0|1,0,0]=3 191 B14R0.88 CCCCCCCCCCCS([O-])(=O)=O Amb22052665 [0,1,1,0,0,0|1,0,1]=4 192 B14R0.88 NCCCCCCCCCCP(O)(O)=O Amb22388717 [0,1,1,0,0,0|2,0,0]=4 193 B14R0.88 NCCCCCCCCCCP(O)(O)=O Amb22388718 [0,1,1,0,0,0|2,0,0]=4 194 B14R0.88 OP(O)(=O)CCCCCCCCCCBr Amb24057492 [0,1,1,0,0,0|2,0,0]=4 195 B14R0.305 CCC(=O)NCCCCCCCC(O)=O Amb25392233 [0,1,1,0,0,0|1,0,1]=4 196 B14R0.305 CCC(C)CCCCCCCCC(O)=O Amb21928795 [0,1,1,0,0,0|0,0,0]=2 197 B14R0.337 BrCCCCCCCCCCC(=O)NN Amb16207967 [0,1,1,0,0,0|2,0,0]=4 198 B14R0.337 CCCCCCCCCCCC(=O)NC Amb22043375 [0,1,1,0,0,0|1,0,0]=3 199 B14R0.337 CCCCCCCCCCCC(O)C#C Amb22345519 [0,1,1,0,0,0|1,0,1]=4 200 B14R0.337 CCCCCCCCCCNC(=O)C=C Amb22735131 [0,1,1,0,0,0|2,0,0]=4 201 B14R0.337 CCCCCCCCCCNC(=O)CBr Amb17333188 [0,1,1,0,0,0|2,0,0]=4 202 B14R0.337 CCCCCCCCCCOC(=O)CBr Amb1103529 [0,1,1,0,0,0|2,0,0]=4 203 B14R0.337 COC(=O)CCCCCCCCCC=C Amb21928798 [0,1,1,0,0,0|0,0,2]=4 204 B14R0.337 COC(=O)CCCCCCCCCCCl Amb22522963 [0,1,1,0,0,0|1,0,0]=3 205 B14R0.337 COC(=O)CCCCCCCCCCN Amb23575681 [0,1,1,0,0,0|1,0,0]=3 206 B14R0.340 CCCCCCCCCCC(N)C(O)=O Amb21858489 [0,1,1,0,0,0|0,0,0]=2 207 B14R0.340 CCCCCCCCCC[C@@H](N)C(O)=O Amb22745407 [0,1,1,0,0,0|0,0,0]=2 208 B14R0.344 CCCCCCCCC(C)CCC(O)=O Amb22347578 [0,1,1,0,0,0|0,0,0]=2 209 B14R0.344 CCCCCCCCC(O)C#CC(O)=O Amb17779806 [0,1,1,0,0,0|0,0,2]=4 210 B14R0.344 CCCCCCCCS(=O)CCC(=O)N Amb10669588 [0,1,1,0,0,0|2,0,0]=4 211 B14R0.344 CCCCCCCCS(=O)CCC(=O)O Amb1038995 [0,1,1,0,0,0|1,0,0]=3 212 B14R0.344 CCCCCCCNC(=O)CCC(=O)O Amb1771111 [0,1,1,0,0,0|1,0,1]=4 213 B14R0.391 CCCCCCCCCC(O)CC(O)=O Amb21928747 [0,1,1,0,0,0|0,0,0]=2 214 B14R0.391 CCCCCCC\C=C\C(O)CC(O)=O Amb22831937 [0,1,1,0,0,0|0,0,2]=4 215 B14R0.391 CCCCC\C=C\CCC(O)CC(O)=O Amb22831938 [0,1,1,0,0,0|0,0,2]=4 216 B14R0.391 CC\C=C/CCCCCC(O)CC(O)=O Amb22831939 [0,1,1,0,0,0|0,0,2]=4 217 B14R0.394 C#CCCCCCCCCCCC(=O)O Amb1396957 [0,1,1,0,0,0|0,0,1]=3 218 B14R0.394 CC(=O)NCCCCCCCCCCN Amb22358951 [0,1,1,0,0,0|2,0,0]=4 219 B14R0.394 CCCCCCCCCCCCB(O)O Amb13890365 [0,1,1,0,0,0|1,0,1]=4 220 B14R0.394 CCCCCCCCCCCCC(=C)Br Amb19886461 [0,1,1,0,0,0|2,0,0]=4 221 B14R0.394 CCCCCCCCCCCCC(=O)Cl Amb22353030 [0,1,1,0,0,0|1,0,0]=3 222 B14R0.394 CCCCCCCCCCCCC(C)=C Amb19886458 [0,1,1,0,0,0|2,0,0]=4 223 B14R0.394 CCCCCCCCCCCCC(C)=O Amb22730728 [0,1,1,0,0,0|1,0,0]=3 224 B14R0.394 CCCCCCCCCCCCC(N)=O Amb22359815 [0,1,1,0,0,0|1,0,0]=3 225 B14R0.394 CCCCCCCCCCCCS(C)=O Amb22337517 [0,1,1,0,0,0|2,0,0]=4 226 B14R0.394 CCCCCCCCCC\C=C\C(O)=O Amb22734282 [0,1,1,0,0,0|0,0,1]=3 227 B14R0.394 OC(=O)CCCCCCCCCCCS Amb22350627 [0,1,1,0,0,0|0,0,0]=2 228 B14R0.432 CCOC(=O)CCCCCCCC(=O)O Amb17608619 [0,1,1,0,0,0|1,0,1]=4 229 B14R0.80 CCCCCCCCC(CCCC)OC Amb10559260 [0,1,1,0,0,0|1,0,1]=4 230 B14R0.140 C\C(\COC(=O)CC)=C/CCCCCC Amb22347678 [0,1,1,0,0,0|0,0,2]=4 231 B14R0.197 CCC(C)CCCCCCCC(=O)OC Amb21928866 [0,1,1,0,0,0|2,0,0]=4 232 B14R0.393 CCCCCCCCCCS(=O)CCCl Amb1085959 [0,1,1,0,0,0|2,0,0]=4 233 B14R0.393 CCCCCCCCCCS(=O)CCO Amb1039004 [0,1,1,0,0,0|2,0,0]=4 234 B14R0.393 CCCCCCCCCNC(=O)CCS Amb22353745 [0,1,1,0,0,0|1,0,0]=3 235 B14R0.393 CCCCCCCNCCC(=O)OCC Amb20171955 [0,1,1,0,0,0|2,0,0]=4 236 B14R0.393 CCNC(=O)CCNCCCCCCC Amb20171956 [0,1,1,0,0,0|2,0,0]=4 237 B14R0.393 CCOC(=O)C#CCCCCCCCC Amb22729218 [0,1,1,0,0,0|1,0,1]=4 238 B14R0.393 CCOC(=O)CCCCCCCCCBr Amb21945748 [0,1,1,0,0,0|2,0,0]=4 239 B14R0.492 CCCCCCCCC(OCC)OCC Amb24323794 [0,1,1,0,0,0|1,0,1]=4 240 B14R0.94 CCCCCCCCC(OS(=O)(=O)C)C Amb17611622 [0,1,1,0,0,0|1,0,0]=3 241 B14R1.40 CCCCNCCNCC1CCCO1 Amb20214590 [1,1,0,0,0,0|1,0,1]=4 242 B14R1.216 CCCCCCCCC1CCNC1=O Amb2228130 [1,1,0,0,0,0|2,0,0]=4 243 B14R1.427 CC(C)CCCCNCC1CCCO1 Amb23569445 [1,1,0,0,0,0|1,0,1]=4 244 B16R1.27 CCCCCCCCCC1CCCC(=O)O1 Amb10807863 [0,1,0,0,0,1|0,0,0]=2 245 B16R1.642 CCCCCCCCCCC1COC(=O)N1 Amb19895003 [0,2,0,0,0,0|2,0,0]=4 246 B16R1.642 CCCCCCCC\C=C/[C@@H]1CCC(=O)O1 Amb22801270 [0,2,0,0,0,0|0,0,0]=2 247 B16R1.17548 CCCCCCCCOC1CCS(=O)(=O)C1 Amb2548679 [0,2,0,0,0,0|2,0,0]=4 248 B16R1.6879 CC(CCCCCC1C=CC(=O)O1)C(C)O Amb19746914 [0,2,0,0,0,0|0,0,2]=4 249 B16R1.357 CCC(C)(O)CCCCCC1C=CC(=O)O1 Amb19747046 [0,2,0,0,0,0|0,0,2]=4 250 B14R1.96 CCC1CCCCN1CCCC(=O)Cl Amb17143700 [0,0,1,1,0,0|2,0,0]=4 251 B14R1.96 CCC1CCCCN1CCCC(=O)N Amb17143194 [0,0,1,1,0,0|2,0,0]=4 252 B14R1.159 CC1CSCCN1CCCCC(O)=O Amb25386602 [0,0,1,1,0,0|2,0,0]=4 253 B14R1.221 CCCCCCCCCCCC1CO1 Amb24057487 [0,0,1,1,0,0|1,0,1]=4 254 B14R1.221 CCCCCCCCCCC[C@@H]1CO1 Amb22337892 [0,0,1,1,0,0|1,0,1]=4 255 B14R1.269 CCCC1CCCCCC1NC(=O)C Amb2227902 [0,0,1,1,0,0|2,0,0]=4 256 B14R1.269 CCC[C@@H]1CCCCC[C@@H]1NC(C)=O Amb24629779 [0,0,1,1,0,0|2,0,0]=4 257 B14R1.333 OC1CCCCCCC1CCC(O)=O Amb24378159 [0,0,1,1,0,0|1,0,0]=3 258 B14R1.422 NC(=O)CCCCCC1CCCCC1 Amb22340011 [0,0,1,1,0,0|1,0,0]=3 259 B14R1.422 OC(=O)CCCC#CC1CCCCC1 Amb25774995 [0,0,1,1,0,0|0,0,2]=4 260 B14R1.422 OC(=O)CCCCCC1CCCCC1 Amb22230076 [0,0,1,1,0,0|0,0,0]=2 261 B14R1.422 OC(=O)CCCSCC1CCCNC1 Amb17503127 [0,0,1,1,0,0|2,0,0]=4 262 B14R1.422 OC(=O)CCCSCC1CCNCC1 Amb17503028 [0,0,1,1,0,0|2,0,0]=4 263 B14R1.422 OC(=O)CNCCCN1CCCCC1 Amb20152206 [0,0,1,1,0,0|2,0,0]=4 264 B14R1.498 CSCC1CCCN1CCCC(O)=O Amb25387490 [0,0,1,1,0,0|2,0,0]=4 265 B14R1.651 C#CCCC1CCCCCC1C(O)=O Amb25165528 [0,0,1,1,0,0|0,0,2]=4 266 B14R1.651 CC#CCC1CCCCCC1C(O)=O Amb25165527 [0,0,1,1,0,0|0,0,2]=4 267 B14R1.786 CCCCN1CCCCC1CC(O)=O Amb19056735 [0,0,1,1,0,0|1,0,0]=3 268 B14R1.903 CCOCCN1CCCCC1C(O)=O Amb24770122 [0,0,1,1,0,0|2,0,0]=4 269 B14R1.1820 C=CC1CCCCCCCC1C(O)=O Amb25672397 [0,0,1,1,0,0|0,0,2]=4 270 B14R1.4408 O=C1CCCCCCCCCCC=C1 Amb25793577 [0,0,1,1,0,0|1,0,1]=4 271 B14R1.4408 O=C1CCCCCCCNCCCN1 Amb25037669 [0,0,1,1,0,0|2,0,0]=4 272 B14R1.4408 O=C1OCCCCCCCCCCO1 Amb24459843 [0,0,1,1,0,0|1,0,0]=3 273 B14R1.4408 OC1CCCCCCCCCCCN1 Amb25139380 [0,0,1,1,0,0|1,0,1]=4 274 B14R1.4408 S=C1CCCCCCCCCCCN1 Amb25835726 [0,0,1,1,0,0|1,1,0]=4 275 B14R1.4728 CCCCCCCCC1CC1C(=O)O Amb1033024 [0,0,1,1,0,0|0,0,0]=2 276 B14R1.5254 CCCN1CCCCCCC1C(O)=O Amb25354108 [0,0,1,1,0,0|1,0,0]=3 277 B14R1.5254 OC(=O)C1CCCCCCN1CCF Amb25715628 [0,0,1,1,0,0|2,0,0]=4 278 B14R1.5254 OCCN1CCCCCCC1C(O)=O Amb24418260 [0,0,1,1,0,0|2,0,0]=4 279 B14R1.6335 CC(=O)CCN1CCCCCCCC1 Amb24351727 [0,0,1,1,0,0|2,0,0]=4 280 B14R1.6335 NC(=O)CCN1CCCCCCCC1 Amb25169053 [0,0,1,1,0,0|2,0,0]=4 281 B14R1.6335 OC(=O)CCN1CCCCCCCC1 Amb25298722 [0,0,1,1,0,0|1,0,0]=3 282 B14R1.6343 OC(=O)CCCCN1CCNCCC1 Amb17479032 [0,0,1,1,0,0|2,0,0]=4 283 B14R1.6343 OC(=O)CNCCN1CCCCCC1 Amb20573254 [0,0,1,1,0,0|2,0,0]=4 284 B14R1.6343 OC(=O)CSCCN1CCCCCC1 Amb21988835 [0,0,1,1,0,0|2,0,0]=4 285 B14R1.6414 CC(O)C1CCCCCCCCCC1 Amb25107604 [0,0,1,1,0,0|1,0,1]=4 286 B14R1.6414 OC(=O)C1CC=CCCCCCCC1 Amb24498139 [0,0,1,1,0,0|0,0,2]=4 287 B14R1.6444 OC(=O)CC1CCCCCCCCC1 Amb25125214 [0,0,1,1,0,0|0,0,0]=2 288 B14R1.6444 OC(=O)CC=1CCCCCCCCC1 Amb24498388 [0,0,1,1,0,0|0,0,2]=4 289 B14R1.4889 O=C1CCCCCCCCC(=O)CC1 Amb22434392 [0,0,1,1,0,0|0,0,2]=4 290 B14R1.247 NC1CCCCCCCCCCC1=O Amb25760755 [0,0,1,1,0,0|2,0,0]=4 291 B14R1.247 O=C1CCCCCCCCCCC1Cl Amb24093621 [0,0,1,1,0,0|2,0,0]=4 292 B14R1.247 O=C1NCCCCCCCCCC1Cl Amb25277219 [0,0,1,1,0,0|2,0,0]=4 293 B14R1.247 OC1CCCCCCCCCNC1=O Amb24375308 [0,0,1,1,0,0|2,0,0]=4 294 B14R1.716 CCC(=O)NCCCN1CCCCC1 Amb23381468 [0,0,1,1,0,0|2,0,0]=4 295 B14R1.716 CCC(=O)NCCSC1CCCCC1 Amb23350024 [0,0,1,1,0,0|2,0,0]=4 296 B14R1.716 O=C(CCl)NCCCC1CCCCC1 Amb19514479 [0,0,1,1,0,0|2,0,0]=4 297 B14R1.1224 CCC(=O)CN1CCCCCCCC1 Amb25169081 [0,0,1,1,0,0|2,0,0]=4 298 B14R1.7684 NCC(=O)NCC1CCCCCCC1 Amb24429721 [0,0,1,1,0,0|2,0,0]=4 299 B14R1.327 CC1CCCCCN1C(C)CC(C)=O Amb24510849 [0,0,1,1,0,0|2,0,0]=4 300 B14R1.443 CC=1CC(CC(=O)C1)CCCCCC Amb20621618 [0,0,1,1,0,0|1,0,1]=4 301 B14R1.13044 CC(CC(C)=O)N1CCCCCCC1 Amb24456287 [0,0,1,1,0,0|2,0,0]=4 302 B14R2.12 CCC1CCCCC12CNC(=O)O2 Amb24719971 [1,0,0,1,0,0|1,0,0]=3 303 B14R2.19 O=C1CC(CC1)NC2CCCCC2 Amb25799301 [1,0,0,1,0,0|2,0,0]=4 304 B14R2.19 O=C1CCC(CC2CCCCC2)N1 Amb25095146 [1,0,0,1,0,0|1,0,0]=3 305 B14R2.19 O=C1CCC(CC2COCCC2)N1 Amb24465560 [1,0,0,1,0,0|2,0,0]=4 306 B14R2.19 O=C1CCC(N1)OC2CCCCC2 Amb25766443 [1,0,0,1,0,0|2,0,0]=4 307 B14R2.19 O=C1CC[C@@H](CN2CCCCC2)N1 Amb25095220 [1,0,0,1,0,0|2,0,0]=4 308 B14R2.19 O=C1NC(CC2CCCCC2)CN1 Amb24434854 [1,0,0,1,0,0|2,0,0]=4 309 B14R2.19 O=C1NCC(CC2CCCCC2)O1 Amb24438974 [1,0,0,1,0,0|1,0,0]=3 310 B14R2.99 CCC1CCN1CC2CNC(=O)O2 Amb25807400 [1,0,0,1,0,0|2,0,0]=4 311 B14R2.251 CC1CCC1NCC2CNC(=O)O2 Amb25135926 [1,0,0,1,0,0|2,0,0]=4 312 B14R2.252 O=C1CC(CCC2CCCC2)CC1 Amb24450998 [1,0,0,1,0,0|1,0,0]=3 313 B14R2.252 O=C1CC(CCC2COCC2)CC1 Amb24623187 [1,0,0,1,0,0|2,0,0]=4 314 B14R2.252 O=C1CCC(CNC2CCCC2)N1 Amb24360116 [1,0,0,1,0,0|2,0,0]=4 315 B14R2.252 O=C1CCC(CSC2CCCC2)N1 Amb25163502 [1,0,0,1,0,0|2,0,0]=4 316 B14R2.252 O=C1CN(CCC2CCCC2)CC1 Amb18181425 [1,0,0,1,0,0|2,0,0]=4 317 B14R2.252 O=C1NCC(CNC2CCCC2)O1 Amb24464468 [1,0,0,1,0,0|2,0,0]=4 318 B14R2.256 CC1CCCCC1C2CC(=O)NC2 Amb25210089 [1,0,0,1,0,0|2,0,0]=4 319 B14R2.256 CC1CCCCC1C2COC(=O)N2 Amb25321105 [1,0,0,1,0,0|2,0,0]=4 320 B14R2.256 O[C@@H]1CCCC[C@H]1C2COC(=O)O2 Amb25296254 [1,0,0,1,0,0|2,0,0]=4 321 B14R2.259 CC1CCCC1CN2CC(=O)CC2 Amb24759972 [1,0,0,1,0,0|2,0,0]=4 322 B14R2.259 CC1CCCN1C[C@@H]2CCC(=O)N2 Amb24682113 [1,0,0,1,0,0|2,0,0]=4 323 B14R2.259 C[C@H]1CCCN1C[C@@H]2CCC(=O)N2 Amb25315191 [1,0,0,1,0,0|2,0,0]=4 324 B14R2.1171 CC[C@H]1CCCCC2=CC(=O)C[C@@H]21 Amb24583556 [1,0,0,1,0,0|1,0,1]=4 325 B14R2.4359 O=C1CC(CC1)C2CCCCCC2 Amb25679234 [1,0,0,1,0,0|1,0,0]=3 326 B14R2.4359 O=C1CCC(=C1)C2CCCCCC2 Amb25047847 [1,0,0,1,0,0|1,0,1]=4 327 B14R2.4359 O=C1NC(CO1)C2CCCCCC2 Amb25140534 [1,0,0,1,0,0|2,0,0]=4 328 B14R2.4933 O=C1CC2CCCCCCCC2=C1 Amb25320043 [1,0,0,1,0,0|1,0,1]=4 329 B14R2.5594 O=C1CCC=2CCCCCCCC21 Amb25053034 [1,0,0,1,0,0|1,0,1]=4 330 B14R2.28862 O=C1CCC2(CCCNCCC2)O1 Amb25743493 [1,0,0,1,0,0|1,0,0]=3 331 B14R2.28862 O=C1NC2(CO1)CCCCCCC2 Amb24661451 [1,0,0,1,0,0|2,0,0]=4 332 B14R2.50 CC1CCCCC1CC2CNCC2 Amb24626413 [1,0,0,1,0,0|2,0,0]=4 333 B14R2.50 ClC1CCCCC1CC2CCCO2 Amb25816667 [1,0,0,1,0,0|1,0,1]=4 334 B14R2.50 NC1CCCCC1CC2CCCO2 Amb18326052 [1,0,0,1,0,0|1,0,1]=4 335 B14R2.50 OC1CCCCC1CC2CCCO2 Amb18326382 [1,0,0,1,0,0|1,0,1]=4 336 B14R2.83 CNC1CCCC1CC2CCCO2 Amb18326051 [1,0,0,1,0,0|1,0,1]=4 337 B14R2.98 CCC1CCCCC1C2CCCN2 Amb24397267 [1,0,0,1,0,0|1,0,1]=4 338 B14R2.98 CCC1CCCCC1C2CNCC2 Amb24715626 [1,0,0,1,0,0|2,0,0]=4 339 B14R2.101 C(CN1CCCCC1)C2CCCO2 Amb24381670 [1,0,0,1,0,0|1,0,1]=4 340 B14R2.101 C(NC1CCCCC1)[C@H]2CCCO2 Amb25056258 [1,0,0,1,0,0|1,0,1]=4 341 B14R2.101 C(SC1CCCCC1)C2CCCO2 Amb24380557 [1,0,0,1,0,0|1,0,1]=4 342 B14R2.101 C1NCCC1CCC2CCCCC2 Amb21959204 [1,0,0,1,0,0|2,0,0]=4 343 B14R2.245 CCCN1CCCC1C2CCCO2 Amb25769195 [1,0,0,1,0,0|1,0,1]=4 344 B14R2.384 BrC1CCCC1CCC2CCCO2 Amb24448275 [1,0,0,1,0,0|1,0,1]=4 345 B14R2.384 CC1CCCC1NCC2CCCO2 Amb24364404 [1,0,0,1,0,0|1,0,1]=4 346 B14R2.384 NC1CCCC1CCC2CCCO2 Amb25709914 [1,0,0,1,0,0|1,0,1]=4 347 B14R2.384 OC1CCCC1CCC2CCCO2 Amb25815305 [1,0,0,1,0,0|1,0,1]=4 348 B14R2.892 CCCCN1CCC[C@H]2OCC[C@@H]12 Amb24339903 [1,0,0,1,0,0|1,0,1]=4 349 B14R2.892 CCCNC1CCCC2OCCC21 Amb25681134 [1,0,0,1,0,0|1,0,1]=4 350 B14R2.1255 C1NCCC1C2CCCCCCC2 Amb25315014 [1,0,0,1,0,0|2,0,0]=4 351 B14R2.2840 C(C1CCC=C1)C2CCCCCN2 Amb25778588 [1,0,0,1,0,0|2,0,0]=4 352 B14R2.2840 C(C1CCCCCN1)C2CCCO2 Amb24679646 [1,0,0,1,0,0|1,0,1]=4 353 B14R2.2840 C(C1CCCN1)C2CCCCCC2 Amb24447478 [1,0,0,1,0,0|1,0,1]=4 354 B14R2.2840 C([C@H]1CCCO1)N2CCCCCC2 Amb24723868 [1,0,0,1,0,0|1,0,1]=4 355 B14R2.3017 C(NCCCC1CC1)C2CCCO2 Amb23570697 [1,0,0,1,0,0|1,0,1]=4 356 B14R2.436 O=C1CC(C1)OCC2CCCCC2 Amb24410669 [0,0,0,1,1,0|2,0,0]=4 357 B14R2.8995 O=C1CC(CC2CCCCCC2)N1 Amb24738812 [0,0,0,1,1,0|1,0,0]=3 358 B14R2.148 CCC1CCCCC1C2CCC2N Amb25790969 [0,0,0,1,1,0|1,0,1]=4 359 B14R2.4911 OC12CCCCCCCCC1CC2 Amb25793457 [0,0,0,1,1,0|0,0,2]=4 360 B16R2.26 CCC1CCCCC1N2CCC(=O)CC2 Amb25805729 [0,0,0,1,0,1|2,0,0]=4 361 B16R2.132 O=C1CCN(CCC2CCCCC2)CC1 Amb25181302 [0,0,0,1,0,1|2,0,0]=4 362 B16R2.1129 CC1CCCCC1CN2CCC(=O)CC2 Amb24467282 [0,0,0,1,0,1|2,0,0]=4 363 B16R2.11536 CC1CCCCCC1N2CCC(=O)CC2 Amb25795028 [0,0,0,1,0,1|2,0,0]=4 364 B16R2.11536 CC1CCCCCN1C2CCC(=O)CC2 Amb24698396 [0,0,0,1,0,1|2,0,0]=4 365 B16R2.33330 O=C1CCC(CC1)NC2CCCCCC2 Amb25115440 [0,0,0,1,0,1|2,0,0]=4 366 B16R2.252 O=C1CC(CCC1)CCC2CCOCC2 Amb24503711 [0,0,0,1,0,1|2,0,0]=4 367 B16R2.252 O=C1CCCC(CCC2CCCCC2)=C1 Amb25030992 [0,0,0,1,0,1|1,0,1]=4 368 B16R2.252 O=C1CN(CCC2CCCCC2)CCC1 Amb25092165 [0,0,0,1,0,1|2,0,0]=4 369 B16R2.2245 CCC1CCCCC1C2CC(=O)CCO2 Amb25197486 [0,0,0,1,0,1|1,0,0]=3 370 B16R2.2245 COC1CCCCC1C2CC(=O)CCC2 Amb25184157 [0,0,0,1,0,1|2,0,0]=4 371 B16R2.11865 CC1CCCCCN1C2CC(=O)CCC2 Amb25839720 [0,0,0,1,0,1|2,0,0]=4 372 B16R2.55 COCC1CCCCN1C2CC(=O)CC2 Amb24479780 [0,1,0,1,0,0|2,0,0]=4 373 B16R2.55 OCCC1CCCCN1C2CC(=O)CC2 Amb25282455 [0,1,0,1,0,0|2,0,0]=4 374 B16R2.166 OCC1CCCCCN1C2CC(=O)CC2 Amb25193710 [0,1,0,1,0,0|2,0,0]=4 375 B16R2.11407 O=C1CC(CC1)OCC2CCCCCC2 Amb24352453 [0,1,0,1,0,0|1,0,0]=3 376 B16R2.11458 O=C1CC(CC1)N2CCCCCCCC2 Amb25791673 [0,1,0,1,0,0|1,0,0]=3 377 B16R2.11458 O=C1CCC(=C1)N2CCCCCCCC2 Amb25131764 [0,1,0,1,0,0|1,0,1]=4 378 B16R2.11522 CC1CCC(CC2CCCCCC2Cl)O1 Amb25080317 [0,1,0,1,0,0|1,0,1]=4 379 B16R2.258 CC1CC(CCN2CC(=O)CC2)CCC1 Amb25735934 [0,1,0,1,0,0|2,0,0]=4 380 B16R2.258 CC1CC(COC2CC(=O)CC2)CCC1 Amb25030957 [0,1,0,1,0,0|2,0,0]=4 381 B16R2.1969 CCC1CC(CCC1)OC2CC(=O)CC2 Amb25252688 [0,1,0,1,0,0|2,0,0]=4 382 B16R2.2829 CC(CC1CC(=O)CC1)C2CCCCC2 Amb25305425 [0,1,0,1,0,0|1,0,0]=3 383 B16R2.12139 CC1CCC(CC2CC(Cl)CCCC2)O1 Amb25225337 [0,1,0,1,0,0|1,0,1]=4 384 B16R2.2838 CC(C)C1CCCCC1N2CC(=O)CC2 Amb24362161 [0,1,0,1,0,0|2,0,0]=4 385 B16R2.2856 O=C1CC(CC2CCCCC2(F)F)CC1 Amb25291603 [0,1,0,1,0,0|2,0,0]=4 386 B16R2.11440 CC1CCCCC1N(C)C2CC(=O)CC2 Amb24554300 [0,1,0,1,0,0|2,0,0]=4 387 B16R2.79192 CN(C1CC(=O)CC1)C2CCCCCC2 Amb24730457 [0,1,0,1,0,0|2,0,0]=4 388 B16R2.5952 CC1C(CCC1=O)CCC2CCCCC2 Amb25030991 [0,1,0,1,0,0|1,0,0]=3 389 B16R2.7895 CCC1CCCCC1N2CCC(=O)C2=O Amb24508217 [0,1,0,1,0,0|2,0,0]=4 390 B16R2.12418 CC1CCCCC1CN2CCC(=O)C2=O Amb25272411 [0,1,0,1,0,0|2,0,0]=4 391 B16R2.219271 O=C1CCN(C2CCCCCCC2)C1=O Amb25116336 [0,1,0,1,0,0|2,0,0]=4 392 B16R2.2347 CCC1CCCCC1C2CCC(CI)O2 Amb24569366 [0,1,0,1,0,0|1,0,1]=4 393 B16R2.6953 BrCC1CCC(O1)C2CCCCCCC2 Amb25039705 [0,1,0,1,0,0|1,0,1]=4 394 B16R2.7067 O=CC1CCC(CC2CCCCCC2)O1 Amb24536336 [0,1,0,1,0,0|0,0,1]=3 395 B16R2.7862 COC1CCCCC1C2(C)CC(=O)CC2 Amb24407683 [0,1,0,1,0,0|2,0,0]=4 396 B16R2.45398 CC1(CC(=O)CC1)CCC2CCOCC2 Amb25047709 [0,1,0,1,0,0|2,0,0]=4 397 B16R3.53429 O=C1CC23CCCCC2CCCC3N1 Amb25095147 [0,0,0,2,0,0|1,0,0]=3 398 B16R3.193111 O=C1NCC2(CCN3CC2CCC3)O1 Amb24736010 [0,0,0,2,0,0|2,0,0]=4 399 B16R3.10764 O=C1NCC2(CCN3CCCCC23)O1 Amb25289839 [0,0,0,2,0,0|2,0,0]=4 400 B16R3.30510 NC1=NCC2(CCCC23CCCC3)O1 Amb25693663 [0,0,0,2,0,0|2,0,0]=4 401 B16R3.30510 O=C1NC2(CO1)CCCC23CCCC3 Amb24684363 [0,0,0,2,0,0|2,0,0]=4 402 B16R3.30510 O=C1NCC2(CCCC23CCCC3)O1 Amb24684364 [0,0,0,2,0,0|1,0,0]=3 403 B16R3.10489 O=C1CCC(CC2CC3CC2CC3)N1 Amb25766060 [0,0,0,2,0,0|1,0,0]=3 404 B16R3.10489 O=C1CCC(CC2CC3CCC2C3)=C1 Amb24394702 [0,0,0,2,0,0|1,0,1]=4 405 B16R3.335 O=C1NC2CCC3CCCCC3C2O1 Amb25292393 [0,0,0,2,0,0|1,0,0]=3 406 B16R3.10416 O=C1CC(CC1)N2CC3CCC2CC3 Amb25081859 [0,0,0,2,0,0|2,0,0]=4 407 B16R3.2273 O=C1N[C@H]2C[C@@H]3CCCC[C@H]3C[C@H]2O1 Amb25244053 [0,0,0,2,0,0|1,0,0]=3 408 B16R3.192441 O=C1CC2(CN1)CC3CCCCC3C2 Amb24658286 [0,0,0,2,0,0|2,0,0]=4 409 B16R3.192441 O=C1C[C@@]2(CN1)C[C@@H]3CCCC[C@@H]3C2 Amb24409600 [0,0,0,2,0,0|2,0,0]=4 410 B12R0.251 CCCCCCCCC(Br)C(O)=O Amb22347926 [0,0,1,0,1,0|2,0,0]=4 411 B12R0.251 CCCCCCCCC(C)C(O)=O Amb19058533 [0,0,1,0,1,0|1,0,0]=3 412 B12R0.251 CCCCCCCCN(C)C(C)=O Amb24096791 [0,0,1,0,1,0|1,0,0]=3 413 B12R0.251 CCCCCCCC[C@@H](N)C(O)=O Amb22745440 [0,0,1,0,1,0|2,0,0]=4 414 B12R0.251 CCCCCCCOC(C(=O)O)C Amb2445106 [0,0,1,0,1,0|2,0,0]=4 415 B12R1.272 CCCCNCCCC1CCC1 Amb23570816 [1,0,0,0,1,0|1,0,1]=4