0 B15R0.366 CCCCCCC=CCCCC(=O)OCC Amb24066550 [0,0,0,0,0,0|0,0,2]=2 1 B15R0.366 CCCCCCCCCCCC(=O)CCC Amb22733183 [0,0,0,0,0,0|1,0,0]=1 2 B15R0.366 CCCCCCCCCCCC(=O)CCN Amb22358955 [0,0,0,0,0,0|2,0,0]=2 3 B15R0.366 CCCCCCCCCCCC(=O)NCC Amb17671367 [0,0,0,0,0,0|1,0,0]=1 4 B15R0.366 CCCCCCCCCCCC(=O)OC=C Amb17938955 [0,0,0,0,0,0|0,0,2]=2 5 B15R0.366 CCCCCCCCCCOC(=O)CCC Amb22367032 [0,0,0,0,0,0|2,0,0]=2 6 B15R0.366 CCCCCCCCC\C=C\C(=O)OCC Amb10067118 [0,0,0,0,0,0|0,0,2]=2 7 B15R0.366 CCCCCCCCNCCC(=O)OCC Amb20673293 [0,0,0,0,0,0|1,0,0]=1 8 B15R0.366 CCCCCCCCSCCC(=O)OCC Amb1032998 [0,0,0,0,0,0|1,0,0]=1 9 B15R0.366 CCOC(=O)CCCCCCCCCCBr Amb22232003 [0,0,0,0,0,0|1,0,0]=1 10 B14R0.337 BrCCCCCCCCCCC(=O)NN Amb16207967 [1,0,0,0,0,0|3,0,0]=4 11 B14R0.337 CCCCCCCCCCCC(=O)NC Amb22043375 [1,0,0,0,0,0|1,0,0]=2 12 B14R0.337 CCCCCCCCCCNC(=O)C=C Amb22735131 [1,0,0,0,0,0|1,0,2]=4 13 B14R0.337 CCCCCCCCCCNC(=O)CBr Amb17333188 [1,0,0,0,0,0|2,0,0]=3 14 B14R0.337 CCCCCCCCCCOC(=O)CBr Amb1103529 [1,0,0,0,0,0|2,0,0]=3 15 B14R0.337 COC(=O)CCCCCCCCCC=C Amb21928798 [1,0,0,0,0,0|0,0,2]=3 16 B14R0.337 COC(=O)CCCCCCCCCCCl Amb22522963 [1,0,0,0,0,0|1,0,0]=2 17 B14R0.337 COC(=O)CCCCCCCCCCN Amb23575681 [1,0,0,0,0,0|1,0,0]=2 18 B14R0.392 CCCCCCCCCCCCCCC Amb22047904 [1,0,0,0,0,0|1,0,1]=3 19 B14R0.392 CCCCCCCCCCCCCCC Amb23496172 [1,0,0,0,0,0|1,0,1]=3 20 B14R0.392 CCCCCCCCCCCCCCCl Amb22733145 [1,0,0,0,0,0|2,0,1]=4 21 B14R0.392 CCCCCCCCCCCCCCF Amb10840999 [1,0,0,0,0,0|2,0,1]=4 22 B14R0.392 CCCCCCCCCCCCCCI Amb22730377 [1,0,0,0,0,0|2,0,1]=4 23 B14R0.392 CCCCCCCCCCCCCCO Amb22336309 [1,0,0,0,0,0|2,0,1]=4 24 B14R0.392 CCCCCCCCCCCCCNC Amb10241352 [1,0,0,0,0,0|2,0,1]=4 25 B14R0.392 CCCCCCCCCCCCOC=C Amb22168063 [1,0,0,0,0,0|0,0,3]=4 26 B14R0.392 CCCCCCCCCCC\C=C\C=O Amb22732695 [1,0,0,0,0,0|2,0,1]=4 27 B14R0.392 CCCCCCCCOCCCCCC Amb22052672 [1,0,0,0,0,0|2,0,1]=4 28 B14R0.392 CCOCCCCCCCCCOCC Amb22347272 [1,0,0,0,0,0|1,0,1]=3 29 B14R0.393 C=CCCCCCCCCC(=O)OCC Amb16193236 [1,0,0,0,0,0|0,0,2]=3 30 B14R0.393 CCCCCCCCCCC(C)CCC Amb22730856 [1,0,0,0,0,0|2,0,1]=4 31 B14R0.393 CCCCCCCCCCC(O)CCC Amb24099722 [1,0,0,0,0,0|1,0,2]=4 32 B14R0.393 CCCCCCCCCCS(=O)CCCl Amb1085959 [1,0,0,0,0,0|3,0,0]=4 33 B14R0.393 CCCCCCCCCCS(=O)CCO Amb1039004 [1,0,0,0,0,0|3,0,0]=4 34 B14R0.393 CCCCCCCCCNC(=O)CCS Amb22353745 [1,0,0,0,0,0|3,0,0]=4 35 B14R0.393 CCCCCCCNCCC(=O)OCC Amb20171955 [1,0,0,0,0,0|1,0,0]=2 36 B14R0.393 CCNC(=O)CCNCCCCCCC Amb20171956 [1,0,0,0,0,0|2,0,0]=3 37 B14R0.393 CCOC(=O)C#CCCCCCCCC Amb22729218 [1,0,0,0,0,0|0,0,2]=3 38 B14R0.393 CCOC(=O)CCCCCCCCCBr Amb21945748 [1,0,0,0,0,0|1,0,0]=2 39 B16R0.61 CCCC(=O)OCCCCCCCCCCO Amb22348297 [0,1,0,0,0,0|2,0,0]=3 40 B16R0.61 CCCCCCCCCCCCC(=O)OCC Amb15693462 [0,1,0,0,0,0|0,0,0]=1 41 B16R0.61 CCCCCCCCCCCCC(C)NCC Amb23968922 [0,1,0,0,0,0|2,0,1]=4 42 B16R0.61 CCCCCCCCCCCCS(=O)CCO Amb22359691 [0,1,0,0,0,0|3,0,0]=4 43 B16R0.61 CCCCCCCCCCCNC(=O)NCO Amb2228231 [0,1,0,0,0,0|2,0,0]=3 44 B16R0.61 CCCCCCCCCCSCC(=O)OCC Amb16208678 [0,1,0,0,0,0|0,0,0]=1 45 B16R0.61 COCCCCCCCCCCC(=O)OCC Amb22345967 [0,1,0,0,0,0|0,0,0]=1 46 B16R0.97 CCOC(=O)CCCSCCCC(=O)OCC Amb16202496 [0,1,0,0,0,0|2,0,1]=4 47 B16R0.220 CCCCCCCCCCCC(CCC)NC Amb23967708 [0,1,0,0,0,0|2,0,1]=4 48 B16R0.299 CCOC(=O)CCCNCC(=O)NCCCC Amb23913308 [0,1,0,0,0,0|2,0,1]=4 49 B16R0.302 CCCCCCCCCCCC(=O)OC(C)C Amb17935700 [0,1,0,0,0,0|0,0,0]=1 50 B16R0.302 CCCCCCCCCCNC(=O)OC(C)C Amb22357774 [0,1,0,0,0,0|1,0,0]=2 51 B16R0.302 CCCCOCCCNCCC(=O)NC(C)C Amb23916450 [0,1,0,0,0,0|3,0,0]=4 52 B16R0.661 CCCCC(O)CCCCCCCCCCC Amb22359715 [0,1,0,0,0,0|1,0,2]=4 53 B16R0.661 CCCCCCCCCCCC(=O)CCCC Amb10564683 [0,1,0,0,0,0|1,0,0]=2 54 B16R0.661 CCCCCCCCCCCC(=O)OCC=C Amb17933924 [0,1,0,0,0,0|0,0,1]=2 55 B16R0.661 CCCCCCCCCCCC(C)NCCC Amb23967707 [0,1,0,0,0,0|2,0,1]=4 56 B16R0.661 CCCCCCCCCCNC(=O)CCCCl Amb17324426 [0,1,0,0,0,0|2,0,0]=3 57 B16R0.1183 CC(OCC)C(O)CCCCCCCCCC Amb23988357 [0,1,0,0,0,0|1,0,1]=3 58 B16R0.1183 CCCCCCCCCCC(Br)C(=O)OCC Amb22734285 [0,1,0,0,0,0|0,0,0]=1 59 B16R1.27 CCCCCCCCCC1CCCC(=O)O1 Amb10807863 [0,0,0,1,0,0|2,0,0]=3 60 B16R1.932 CCOC(=O)CCNCCC=1CCCCC1 Amb20171961 [0,0,0,1,0,0|1,0,2]=4 61 B16R1.932 CCOC(=O)CCNCCN1CCCCC1 Amb20673279 [0,0,0,1,0,0|2,0,0]=3 62 B16R1.932 CCOC(=O)CCSCCC1CCCCN1 Amb22395661 [0,0,0,1,0,0|2,0,0]=3 63 B16R1.932 CCOC(=O)CCSCCN1CCOCC1 Amb21978779 [0,0,0,1,0,0|3,0,0]=4 64 B16R1.932 CCOC(=O)NCCCCN1CCCCC1 Amb16902389 [0,0,0,1,0,0|2,0,0]=3 65 B16R1.932 CCOC(=O)NCCCCN1CCOCC1 Amb16902391 [0,0,0,1,0,0|3,0,0]=4 66 B16R1.948 CCC1CCCCN1CCCC(=O)OCC Amb21541246 [0,0,0,1,0,0|1,0,0]=2 67 B16R1.948 CCNC(=O)CCNC1CCCCC1CO Amb24272166 [0,0,0,1,0,0|3,0,0]=4 68 B16R1.1363 [N-]=[N+]=C1CCCCCCCCCCCC1=O Amb17596070 [0,0,0,1,0,0|3,0,0]=4 69 B16R1.7359 CCNC(=O)CC1CCCCN1CCOC Amb24223378 [0,0,0,1,0,0|3,0,0]=4 70 B16R1.8816 FC=1CCCCCCCCCCCCCC1 Amb22641508 [0,0,0,1,0,0|2,0,0]=3 71 B16R1.12723 COCCCN1CCCCC1C(=O)OCC Amb19291128 [0,0,0,1,0,0|2,0,0]=3 72 B16R1.15047 CCCC(=O)NCCNC1CCCCCC1 Amb24187141 [0,0,0,1,0,0|3,0,0]=4 73 B16R1.15047 CCCC(=O)NCCOC1CCCCCC1 Amb19371119 [0,0,0,1,0,0|3,0,0]=4 74 B16R1.17465 CCCCCCN1CSC[C@H]1C(=O)OCC Amb10571329 [0,0,0,1,0,0|2,0,0]=3 75 B13R0.54 BrCCCCCCCCCCC(=O)N Amb16207966 [2,0,0,0,0,0|2,0,0]=4 76 B13R0.54 CCCCCCCCCC=CC(=O)O Amb13952752 [2,0,0,0,0,0|0,0,2]=4 77 B13R0.54 CCCCCCCCCCCC(=C)Br Amb19886460 [2,0,0,0,0,0|1,0,1]=4 78 B13R0.54 CCCCCCCCCCCC(=N)N Amb10568321 [2,0,0,0,0,0|2,0,0]=4 79 B13R0.54 CCCCCCCCCCCC(=S)N Amb13953232 [2,0,0,0,0,0|1,1,0]=4 80 B13R0.54 CCCCCCCCCCCC(C)=C Amb19886457 [2,0,0,0,0,0|1,0,0]=3 81 B13R0.54 CCCCCCCCCCCC(C)Br Amb22734063 [2,0,0,0,0,0|1,0,1]=4 82 B13R0.54 CCCCCCCCCCCC(C)N Amb21953727 [2,0,0,0,0,0|1,0,1]=4 83 B13R0.54 CCCCCCCCCCCC(O)=O Amb22348404 [2,0,0,0,0,0|0,0,0]=2 84 B13R0.54 CCCCCCCCCCCC(O)=O Amb22730643 [2,0,0,0,0,0|0,0,0]=2 85 B13R0.54 CCCCCCCCCCCC([O-])=O Amb17942849 [2,0,0,0,0,0|0,0,1]=3 86 B13R0.54 CCCCCCCCCCCC([O-])=O Amb22729066 [2,0,0,0,0,0|0,0,1]=3 87 B13R0.54 CCCCCCCCCCCC([O-])=O Amb22730602 [2,0,0,0,0,0|0,0,1]=3 88 B13R0.54 CCCCCCCCCCCC([O-])=O Amb22730786 [2,0,0,0,0,0|0,0,1]=3 89 B13R0.54 CCCCCCCCCCCC([O-])=O Amb22731774 [2,0,0,0,0,0|0,0,1]=3 90 B13R0.54 CCCCCCCCCCCC([O-])=O Amb22731775 [2,0,0,0,0,0|0,0,1]=3 91 B13R0.54 CCCCCCCCCCCC([O-])=O Amb22733752 [2,0,0,0,0,0|0,0,1]=3 92 B13R0.54 CCCCCCCCCCC[13C](O)=O Amb21928681 [2,0,0,0,0,0|0,0,0]=2 93 B13R0.54 CCCCCCCCCCC[14C](O)=O Amb22349630 [2,0,0,0,0,0|0,0,0]=2 94 B13R0.54 CCCCCCCCCCNC(=O)N Amb2228230 [2,0,0,0,0,0|2,0,0]=4 95 B13R0.54 CCCCCCCCCCOC(=O)Cl Amb22337976 [2,0,0,0,0,0|2,0,0]=4 96 B13R0.54 CCCCCCCCCC[13CH2]C(O)=O Amb22353612 [2,0,0,0,0,0|0,0,0]=2 97 B13R0.54 CCCCCCCCCC[13CH2][13C](O)=O Amb22353611 [2,0,0,0,0,0|0,0,0]=2 98 B13R0.54 CCCCCCCCSCCC(=O)N Amb10669601 [2,0,0,0,0,0|2,0,0]=4 99 B13R0.54 CCCCCCCCSCCC(=O)O Amb1038994 [2,0,0,0,0,0|1,0,0]=3 100 B13R0.54 CCCCCCCC[13CH2][13CH2][13CH2][13C](O)=O Amb22353609 [2,0,0,0,0,0|0,0,0]=2 101 B13R0.54 CCCCCC\C=C/CCCC(O)=O Amb20672025 [2,0,0,0,0,0|0,0,2]=4 102 B13R0.54 CCCCSCCCCCCC(=O)O Amb1036584 [2,0,0,0,0,0|1,0,0]=3 103 B13R0.54 N#CCCCCCCCCCC(O)=O Amb22547629 [2,0,0,0,0,0|1,0,1]=4 104 B13R0.54 NCCCCCCCCCCC(=O)Cl Amb17143769 [2,0,0,0,0,0|2,0,0]=4 105 B13R0.54 NCCCCCCCCCCC([O-])=O Amb22353821 [2,0,0,0,0,0|1,0,1]=4 106 B13R0.54 OCCCCCCCCCCC(=O)O Amb1814707 [2,0,0,0,0,0|1,0,0]=3 107 B13R0.54 [13CH3]CCCCCCCCCCC(O)=O Amb22353502 [2,0,0,0,0,0|0,0,0]=2 108 B13R0.54 [13CH3]CCCCCCCCCC[13C](O)=O Amb22353610 [2,0,0,0,0,0|0,0,0]=2 109 B13R0.147 CC#CCCCCCCCC(=O)OC Amb22641576 [2,0,0,0,0,0|0,0,2]=4 110 B13R0.147 CCCCCCCCC#CC(=O)OC Amb22228923 [2,0,0,0,0,0|0,0,2]=4 111 B13R0.147 CCCCCCCCCCC(=O)C=O Amb24084923 [2,0,0,0,0,0|1,0,1]=4 112 B13R0.147 CCCCCCCCCCC(O)CC Amb22229414 [2,0,0,0,0,0|0,0,2]=4 113 B13R0.147 CCCCCCCCCNC(=O)CCl Amb17797886 [2,0,0,0,0,0|2,0,0]=4 114 B13R0.147 CCCCCCCCCOC(=O)CS Amb22369347 [2,0,0,0,0,0|2,0,0]=4 115 B13R0.147 CCCCCCC\C=C\CC(=O)CC Amb21963232 [2,0,0,0,0,0|0,0,2]=4 116 B13R0.147 CNC(=O)CCNCCCCCCC Amb18333360 [2,0,0,0,0,0|2,0,0]=4 117 B13R0.147 C\C=C\CCCCCCCC(=O)OC Amb22641574 [2,0,0,0,0,0|0,0,2]=4 118 B13R0.147 OCCCCCCCCCC(=O)OC Amb13887310 [2,0,0,0,0,0|1,0,0]=3 119 B13R0.336 CCCCCCCCCCCCCBr Amb16234183 [2,0,0,0,0,0|1,0,1]=4 120 B13R0.336 CCCCCCCCCCCCC[NH3+] Amb10555901 [2,0,0,0,0,0|1,0,1]=4 121 B13R0.336 CCCCCCCCCCCCON Amb24117984 [2,0,0,0,0,0|1,0,1]=4 122 B13R0.336 CCCCCCCCCC\C=C\CO Amb22336246 [2,0,0,0,0,0|1,0,1]=4 123 B13R0.336 CCNCCCNCCCCCCC Amb20171958 [2,0,0,0,0,0|2,0,0]=4 124 B13R0.2 CCCCCCCCCC(=O)OC=C Amb17672564 [2,0,0,0,0,0|0,0,2]=4 125 B13R0.2 CCCCCCCCOC(=O)CCC Amb22043399 [2,0,0,0,0,0|2,0,0]=4 126 B13R0.2 CCCCCCNCCC(=O)OCC Amb18334458 [2,0,0,0,0,0|1,0,0]=3 127 B13R0.2 CCCCC\C=C\CCC(=O)OCC Amb22052631 [2,0,0,0,0,0|0,0,2]=4 128 B13R0.2 CCOC(=O)CCCCCCCCBr Amb21520303 [2,0,0,0,0,0|1,0,0]=3 129 B13R0.2 CCOC(=O)\C=C\CCCCCCC Amb22035135 [2,0,0,0,0,0|0,0,2]=4 130 B13R0.2 CCOCCCCOCC(=O)OCC Amb24103488 [2,0,0,0,0,0|2,0,0]=4 131 B13R0.2 OCCCCCCCCC(=O)OCC Amb17613857 [2,0,0,0,0,0|1,0,0]=3 132 B15R0.81 CCCCCCCCCCCCC(=O)C=C Amb10562278 [1,1,0,0,0,0|0,0,2]=4 133 B15R0.81 CCCCCCCCCCCCC(=O)OC Amb21928887 [1,1,0,0,0,0|0,0,0]=2 134 B15R0.81 CCCCCCCCCCCCC(C)CC Amb22731157 [1,1,0,0,0,0|1,0,1]=4 135 B15R0.81 CCCCCCCCCCCNC(=O)CCl Amb17869099 [1,1,0,0,0,0|1,0,0]=3 136 B15R0.81 CCCCCCCCCCCOC(=O)C=C Amb17934180 [1,1,0,0,0,0|0,0,2]=4 137 B15R0.81 CCCCCCCCCCCOC(=O)CCl Amb24097185 [1,1,0,0,0,0|1,0,0]=3 138 B15R0.81 CCCCCCCCCC\C=C\C(=O)OC Amb21928888 [1,1,0,0,0,0|0,0,1]=3 139 B15R0.81 COC(=O)CCCCCCCCCCC#N Amb22730693 [1,1,0,0,0,0|0,0,1]=3 140 B15R0.81 COC(=O)CCCCCCCCCCCN Amb21856053 [1,1,0,0,0,0|0,0,0]=2 141 B15R0.81 NCCCCCCCCCCCC(=O)OC Amb17608040 [1,1,0,0,0,0|0,0,0]=2 142 B15R0.84 CC(=C)C(=O)NCCCCCCCCCC Amb17933993 [1,1,0,0,0,0|1,0,1]=4 143 B15R0.84 CC(=C)C(=O)OCCCCCCCCCC Amb17933994 [1,1,0,0,0,0|1,0,1]=4 144 B15R0.84 CCCCCCCCCCNC(=O)C(Br)C Amb17332064 [1,1,0,0,0,0|1,0,0]=3 145 B15R0.84 CCCCCCCCCCOC(=O)C(C)C Amb22732202 [1,1,0,0,0,0|1,0,0]=3 146 B15R0.172 CCC(C)CCCCCCCCC(=O)OC Amb21928848 [1,1,0,0,0,0|0,0,0]=2 147 B15R0.172 COC(=O)CCCCCCCCC(F)CBr Amb22547620 [1,1,0,0,0,0|1,0,0]=3 148 B15R0.172 COC(=O)CCCCCCCCC(F)CO Amb22547616 [1,1,0,0,0,0|1,0,0]=3 149 B15R0.172 COC(=O)CCCCCCCCC(O)CF Amb22547611 [1,1,0,0,0,0|1,0,0]=3 150 B15R0.247 COC(=O)CCCCCCCCCC(C)C Amb21928849 [1,1,0,0,0,0|0,0,0]=2 151 B15R0.253 CCCCCCCCCCCC(OC)OC Amb22730042 [1,1,0,0,0,0|0,0,2]=4 152 B15R0.324 CCCCCCCCCCC(Br)C(=O)OC Amb17673704 [1,1,0,0,0,0|0,0,0]=2 153 B15R0.324 CCCCCCCCCCC(O)C(=O)OC Amb21928821 [1,1,0,0,0,0|0,0,0]=2 154 B15R0.324 CCCCCCCCNCC(C)C(=O)OC Amb20673404 [1,1,0,0,0,0|1,0,0]=3 155 B15R0.324 COC(=O)C(C)CNCCCOCCCC Amb20673369 [1,1,0,0,0,0|2,0,0]=4 156 B15R0.3221 CCCCCCCCCC(C)NC(=O)CCl Amb22345963 [1,1,0,0,0,0|2,0,0]=4 157 B15R0.3221 CCCCCCCCCC(O)CC(=O)OC Amb21928822 [1,1,0,0,0,0|0,0,0]=2 158 B15R0.3221 CCCCCCCCNC(C)CC(=O)OC Amb20673405 [1,1,0,0,0,0|1,0,0]=3 159 B15R0.3221 COC(=O)CC(C)NCCCOCCCC Amb20673370 [1,1,0,0,0,0|2,0,0]=4 160 B15R0.70 CCCCCCCCCCCCCCCN Amb17674225 [1,1,0,0,0,0|1,0,1]=4 161 B15R0.70 CCCCCCCCCCCCCCCS Amb22368992 [1,1,0,0,0,0|1,0,1]=4 162 B15R0.70 CCCCCCCCCCCCCCC[14CH3] Amb22362847 [1,1,0,0,0,0|1,0,1]=4 163 B15R0.70 CCCCCCCCCCCCCC[13CH2][13CH3] Amb22353215 [1,1,0,0,0,0|1,0,1]=4 164 B15R0.70 CCCCCCCCCCCCSCCC Amb22347263 [1,1,0,0,0,0|0,1,1]=4 165 B15R0.70 CCCCCCCCCCCCSCCO Amb1085984 [1,1,0,0,0,0|0,1,1]=4 166 B15R0.70 CCCCCCCCCNCCCCCC Amb17308746 [1,1,0,0,0,0|1,0,1]=4 167 B15R0.70 CCCCCCCCNCCCCCCC Amb20077794 [1,1,0,0,0,0|1,0,1]=4 168 B15R0.70 [13CH3][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH3] Amb22336956 [1,1,0,0,0,0|1,0,1]=4 169 B15R0.133 CCCCCCCC(N)CCCCCCC Amb22359695 [1,1,0,0,0,0|1,0,1]=4 170 B15R0.164 CCCCCCCCCCCCCC(C)C Amb22730067 [1,1,0,0,0,0|1,0,1]=4 171 B15R0.164 CCCCCCCCCCCNCC(C)O Amb22340410 [1,1,0,0,0,0|2,0,0]=4 172 B17R0.170 CCCOC(=O)CCCCCCCCC[N+]([O-])=O Amb22364337 [0,2,0,0,0,0|2,0,0]=4 173 B17R0.224 CC(C)CCOCCSCCC(N)C(=O)OCC Amb23980330 [0,2,0,0,0,0|2,0,0]=4 174 B17R0.116 CCCCCCCCCCCCC(=O)CC(C)C Amb23968492 [0,2,0,0,0,0|1,0,0]=3 175 B17R0.196 CCCCCCCCCCCCC(=O)CCOC Amb23968526 [0,2,0,0,0,0|1,0,0]=3 176 B17R0.196 CCCCCCCCCCCCS(=O)CCCC Amb1016567 [0,2,0,0,0,0|2,0,0]=4 177 B17R0.250 CCCCCCCCCCCCCC(=O)COC Amb23967688 [0,2,0,0,0,0|2,0,0]=4 178 B17R0.250 CCCCCCCCCCCCCC(=O)NCC Amb22357779 [0,2,0,0,0,0|1,0,0]=3 179 B17R0.250 CCCCCCCCCCCCCC(=O)OC=C Amb17672565 [0,2,0,0,0,0|0,0,2]=4 180 B17R0.250 CCCCCCCCCCCCNC(=O)CCC Amb10568869 [0,2,0,0,0,0|1,0,0]=3 181 B17R0.250 CCCCCCCCCCNCCC(=O)OCC Amb23967912 [0,2,0,0,0,0|0,0,0]=2 182 B17R0.250 CCOC(C)OCCCCCCCCCCCBr Amb22359998 [0,2,0,0,0,0|1,0,1]=4 183 B17R0.250 CNCC(=O)NCCCCCCCCCCCC Amb24115169 [0,2,0,0,0,0|2,0,0]=4 184 B17R0.256 CCOC(=O)CCCCCCCCCCC(=O)Cl Amb17613850 [0,2,0,0,0,0|0,0,1]=3 185 B17R0.256 CCOC(=O)CCCCCCCCCCC(=O)O Amb17613849 [0,2,0,0,0,0|0,0,1]=3 186 B17R0.13602 CCOC(=O)C(N)CCOCCCCCCCC Amb23961472 [0,2,0,0,0,0|0,0,0]=2 187 B17R0.14267 CCOC(=O)CCC(=O)NCCCOCCCC Amb23911470 [0,2,0,0,0,0|1,0,1]=4 188 B17R0.191 CCCCCCCCCCNC(=O)C(C(C)C)Br Amb17323199 [0,2,0,0,0,0|2,0,0]=4 189 B17R0.13604 CCCCCCCCCCCC(=O)N(CC)CC Amb15692290 [0,2,0,0,0,0|1,0,0]=3 190 B17R0.13604 CCCCCCCCNCCC(=O)N(CC)CC Amb23922246 [0,2,0,0,0,0|2,0,0]=4 191 B17R0.3131 CCCCCCCCC(CC(C(=O)NCC)C)C Amb2228131 [0,2,0,0,0,0|1,0,0]=3 192 B17R0.13601 CCCCCCCCCCCC(=O)N[C@@H](C)CO Amb24020327 [0,2,0,0,0,0|1,0,0]=3 193 B17R0.13612 CCCCCCCCNCCC(=O)OC(C)(C)C Amb20673267 [0,2,0,0,0,0|1,0,0]=3 194 B17R0.13612 CCCCOCCCNCCC(=O)OC(C)(C)C Amb20673221 [0,2,0,0,0,0|2,0,0]=4 195 B17R0.192 CCCCCCCCCCCC(=O)OCC(C)C Amb22045852 [0,2,0,0,0,0|0,0,0]=2 196 B17R0.3110 CCCCCC(=O)CCCCCCCCCCC Amb22359717 [0,2,0,0,0,0|1,0,0]=3 197 B17R0.3189 CC(CCCCCCC)NCCC(=O)NCCC Amb23941404 [0,2,0,0,0,0|2,0,0]=4 198 B17R0.5570 CCCCOCCOCCC(NC)C(=O)OCC Amb23961489 [0,2,0,0,0,0|2,0,0]=4 199 B15R1.273 CCSC1CCCCC1NCC(=O)OC Amb24186831 [1,0,0,1,0,0|2,0,0]=4 200 B15R1.962 CCC(=O)NCCCCN1CCCCC1 Amb16898368 [1,0,0,1,0,0|2,0,0]=4 201 B15R1.962 CCC(=O)NCCCOC1CCCCC1 Amb22984649 [1,0,0,1,0,0|2,0,0]=4 202 B15R1.962 COC(=O)CCCSCC1CCCNC1 Amb17503128 [1,0,0,1,0,0|2,0,0]=4 203 B15R1.962 COC(=O)CCCSCC1CCNCC1 Amb17503029 [1,0,0,1,0,0|2,0,0]=4 204 B15R1.962 COC(=O)CCOCCC1CCCCN1 Amb21957247 [1,0,0,1,0,0|2,0,0]=4 205 B15R1.962 COC(=O)CCOCCC1CCCNC1 Amb21957236 [1,0,0,1,0,0|2,0,0]=4 206 B15R1.962 COC(=O)CCOCCC1CCNCC1 Amb21957246 [1,0,0,1,0,0|2,0,0]=4 207 B15R1.962 COC(=O)CCSCCC1CCCCN1 Amb22395656 [1,0,0,1,0,0|2,0,0]=4 208 B15R1.1091 CCC(=O)NCCCN1CCCCC1C Amb20747510 [1,0,0,1,0,0|2,0,0]=4 209 B15R1.6326 CCCCCCCCC1CC1C(=O)NO Amb1077218 [1,0,0,1,0,0|2,0,0]=4 210 B15R1.12309 CCC(=O)NCCCN1CCCCCC1 Amb15702751 [1,0,0,1,0,0|2,0,0]=4 211 B15R1.12309 CCC(=O)NCCNC1CCCCCC1 Amb25389127 [1,0,0,1,0,0|2,0,0]=4 212 B15R1.15405 COC1(C)CCCCCCCCCCC1 Amb22731553 [1,0,0,1,0,0|1,0,1]=4 213 B15R1.35 CCCCCCCCCC1CCCCC1 Amb22731158 [1,0,0,1,0,0|1,0,1]=4 214 B15R1.9202 CCOCOC1CCCCCCCCC1 Amb22734024 [1,0,0,1,0,0|1,0,1]=4 215 B15R1.106 CCCCCCCCC1CCCC(=O)O1 Amb22732769 [1,0,0,1,0,0|2,0,0]=4 216 B15R1.778 CCOC(=O)CCSCC1CCCCN1 Amb22395634 [1,0,0,1,0,0|2,0,0]=4 217 B15R1.778 CCOC(=O)CCSCC1CCNCC1 Amb22395598 [1,0,0,1,0,0|2,0,0]=4 218 B15R1.778 CCOC(=O)CCSCC1CNCCC1 Amb22395613 [1,0,0,1,0,0|2,0,0]=4 219 B15R1.778 CCOC(=O)CSCCC1CCCCN1 Amb22395663 [1,0,0,1,0,0|2,0,0]=4 220 B15R1.795 CCOC(=O)CCNCCN1CCCC1 Amb20673278 [1,0,0,1,0,0|2,0,0]=4 221 B15R1.832 CCCCC1CC1CCCC(=O)OCC Amb1946108 [1,0,0,1,0,0|0,0,0]=2 222 B15R1.854 CCNC(=O)NC1CCCC1CCCC Amb19318652 [1,0,0,1,0,0|2,0,0]=4 223 B15R1.1251 CCOC(=O)CCN1CCSCCC1C Amb24230540 [1,0,0,1,0,0|2,0,0]=4 224 B15R1.2461 CCOC(=O)CCCN1CCCCCC1 Amb21540734 [1,0,0,1,0,0|1,0,0]=3 225 B15R1.3880 CCNC(=O)NC1CCCCC1CCC Amb19319859 [1,0,0,1,0,0|2,0,0]=4 226 B15R1.3880 CCOC1OCCCC1CC(=O)OCC Amb23538520 [1,0,0,1,0,0|2,0,0]=4 227 B15R1.5365 CCCCCCCCC1CC(=O)OC1=O Amb1953624 [1,0,0,1,0,0|1,0,1]=4 228 B17R1.972 CCOC(=O)CCCCCN1CC(O)CCC1 Amb22107191 [0,1,0,1,0,0|1,0,0]=3 229 B17R1.21326 CCOC(=O)CCCCN1CCOCC1(C)C Amb22129116 [0,1,0,1,0,0|2,0,0]=4 230 B17R1.346 CCOC(=O)CCCN1CCCCC1CCO Amb20782963 [0,1,0,1,0,0|1,0,0]=3 231 B17R1.716 CCCCCCCCCCC1=CC(=O)CCC1 Amb10563261 [0,1,0,1,0,0|1,0,1]=4 232 B17R1.995 CCOC(=O)NCCCCCN1CCCCC1 Amb16902394 [0,1,0,1,0,0|1,0,0]=3 233 B17R1.11298 O=C1CCCC=CCCCCCCCCCC1 Amb22800628 [0,1,0,1,0,0|1,0,1]=4 234 B17R1.11298 O=C1CCCCCCCCCCCCCCC1 Amb23453288 [0,1,0,1,0,0|1,0,0]=3 235 B17R1.16924 CCCCCCCCCCC1CC(=O)OC1=O Amb22733781 [0,1,0,1,0,0|0,0,1]=3 236 B17R1.21375 CCOC(=O)CCSCCN1CCCCCC1 Amb21978780 [0,1,0,1,0,0|1,0,0]=3 237 B17R1.444 CC1CCCCCCCCCCCCCC1=O Amb22641509 [0,1,0,1,0,0|1,0,0]=3 238 B17R1.31009 CCOC(=O)CCCSCCCC(=O)C1CC1 Amb16202498 [0,1,0,1,0,0|1,0,1]=4 239 B17R1.6634 CCC1CCCCN1C(=O)CCC(=O)OCC Amb22285101 [0,1,0,1,0,0|1,0,1]=4 240 B17R1.18527 CCOC(=O)CCC(=O)NCC1CCCCC1 Amb22289458 [0,1,0,1,0,0|1,0,1]=4 241 B17R1.21808 CC(CC(=O)OCC)NCC1CCCC1CO Amb24014319 [0,1,0,1,0,0|2,0,0]=4 242 B17R1.956 CCOC(=O)CCCNC(=O)C1CCCCC1 Amb20694158 [0,1,0,1,0,0|1,0,1]=4 243 B17R1.1003 CCOC(=O)CCCNC(=O)CC1CCCC1 Amb20694174 [0,1,0,1,0,0|1,0,1]=4 244 B17R1.27002 ON=C1CCCCCCCCCCCCCC1 Amb22731356 [0,1,0,1,0,0|1,0,1]=4 245 B17R1.253584 CCOC1(CCCCCCCCCCC1)C#N Amb24015340 [0,1,0,1,0,0|1,0,1]=4 246 B17R1.253584 CCOC1(CN)CCCCCCCCCCC1 Amb24015365 [0,1,0,1,0,0|1,0,1]=4 247 B17R1.450 CC(C)NC(=O)CCNCC1CCCCC1C Amb25402138 [0,1,0,1,0,0|2,0,0]=4 248 B17R1.103871 CC(C)NC(=O)CCNC1CCCCCCC1 Amb25402137 [0,1,0,1,0,0|2,0,0]=4 249 B17R1.1450 CCCCCCCCCCC1CCCCC1=O Amb23496208 [0,1,0,1,0,0|1,0,0]=3 250 B17R1.1515 CCOCC(=O)NCCCN1CCCCC1C Amb23912959 [0,1,0,1,0,0|2,0,0]=4 251 B17R1.1559 CCOCC(=O)NCCCOC1CCCCC1 Amb21688284 [0,1,0,1,0,0|2,0,0]=4 252 B17R1.29890 CCOCC(=O)NCCCN1CCCCCC1 Amb21528250 [0,1,0,1,0,0|2,0,0]=4 253 B17R1.29890 CCOCC(=O)NCCNC1CCCCCC1 Amb24187439 [0,1,0,1,0,0|2,0,0]=4 254 B17R1.12 CCOC(=O)CCCCCN1CCC(O)CC1 Amb22107189 [0,1,0,1,0,0|1,0,0]=3 255 B17R1.12 CCOC(=O)CCCCCN1CCS(=O)CC1 Amb22107195 [0,1,0,1,0,0|2,0,0]=4 256 B17R1.1308 CCCCCCCCCCC(N)C1CCCO1 Amb24000845 [0,1,0,1,0,0|1,0,1]=4 257 B17R1.1308 CCCCCCCCCCC(O)C1CCCO1 Amb24000842 [0,1,0,1,0,0|1,0,1]=4 258 B17R1.1650 CCOC(=O)CCNC(=O)CC1CCCCC1 Amb14053457 [0,1,0,1,0,0|1,0,1]=4 259 B17R2.322318 CCNC(=O)CN1CCCC2CCCCC12 Amb21158866 [0,0,0,2,0,0|2,0,0]=4 260 B17R2.6215 CCOC(=O)C1CCCC1NC2CCCC2 Amb21961799 [0,0,0,2,0,0|1,0,0]=3 261 B17R2.21242 O=C1OCCN1CCN2CCCCCCC2 Amb19342426 [0,0,0,2,0,0|2,0,0]=4 262 B17R2.22573 O=C1CC2CCCCCCCCCCC2O1 Amb22448672 [0,0,0,2,0,0|0,0,0]=2 263 B17R2.26266 O=C1OC(=O)C2CCCCCCCCCC12 Amb22356763 [0,0,0,2,0,0|1,0,1]=4