0 B11R1.230 C#CCCc1cc(C)oc1C Amb33343609 [0,0,0,0,0,0|1,0,3]=4 1 B11R1.230 C=C1C=C(CCCC)C(=O)O1 Amb27792466 [0,0,0,0,0,0|0,0,2]=2 2 B11R1.230 C=CCOC1=CC(C)CC1=O Amb28324414 [0,0,0,0,0,0|2,0,2]=4 3 B11R1.230 CC1CN(CCCN)C(=O)O1 Amb27776639 [0,0,0,0,0,0|2,0,1]=3 4 B11R1.230 CCCCC1=CC(=O)CC1=O Amb27432518 [0,0,0,0,0,0|2,0,1]=3 5 B11R1.230 CCCCC1=CC(=O)OC1=O Amb28370116 [0,0,0,0,0,0|1,0,1]=2 6 B11R1.230 CCCCC1=CC(=O)OC1O Amb25356386 [0,0,0,0,0,0|1,0,3]=4 7 B11R1.230 CCCCC1=CC(C)CC1=O Amb27828887 [0,0,0,0,0,0|1,0,0]=1 8 B11R1.230 CCCCC1CC(=O)OC1=O Amb22230364 [0,0,0,0,0,0|1,0,3]=4 9 B11R1.230 CCCCC1CC(C)=CC1=O Amb27256390 [0,0,0,0,0,0|1,0,3]=4 10 B11R1.230 CCCCC1CC(C)OC1=O Amb4136407 [0,0,0,0,0,0|0,0,2]=2 11 B11R1.230 CCCCC1NC(=O)OC1=O Amb27754115 [0,0,0,0,0,0|2,0,2]=4 12 B11R1.230 CCCCN1C=C(C)NC1=O Amb26371270 [0,0,0,0,0,0|2,0,1]=3 13 B11R1.230 CCCCN1CC(N)CC1=O Amb9382303 [0,0,0,0,0,0|3,0,1]=4 14 B11R1.230 CCCCN1CC(O)CC1=O Amb28186369 [0,0,0,0,0,0|3,0,1]=4 15 B11R1.230 CCCCN1N=C(C)CC1=O Amb1154305 [0,0,0,0,0,0|3,0,1]=4 16 B11R1.230 CCCC[C@@H]1NC(=O)OC1=O Amb33624536 [0,0,0,0,0,0|2,0,2]=4 17 B11R1.230 CCCC[C@H]1CC(=O)OC1=O Amb27805036 [0,0,0,0,0,0|1,0,3]=4 18 B11R1.230 CCCCc1cc(Br)sc1Br Amb2696543 [0,0,0,0,0,0|2,1,1]=4 19 B11R1.230 CCCCc1nc(C)sc1N Amb18985549 [0,0,0,0,0,0|2,1,1]=4 20 B11R1.230 CCCCc1nn(C)cc1N Amb26879604 [0,0,0,0,0,0|4,0,0]=4 21 B11R1.230 CCCNc1cn(C)nc1C Amb31214227 [0,0,0,0,0,0|4,0,0]=4 22 B11R1.230 CCC\C=C1/NC(=O)OC1=O Amb27268544 [0,0,0,0,0,0|2,0,2]=4 23 B11R1.230 CCC\C=C1\CC(C)NC1=O Amb28428471 [0,0,0,0,0,0|1,0,2]=3 24 B11R1.230 CCC\C=C1\CC(C)OC1=O Amb27400622 [0,0,0,0,0,0|0,0,2]=2 25 B11R1.230 CCC\C=C1\NC(=O)OC1=O Amb27969114 [0,0,0,0,0,0|2,0,2]=4 26 B11R1.230 CCNCc1cc(C)oc1C Amb8853710 [0,0,0,0,0,0|2,0,1]=3 27 B11R1.230 CCNCc1cn(C)nc1Br Amb32685759 [0,0,0,0,0,0|4,0,0]=4 28 B11R1.230 CCNCc1cn(C)nc1C Amb1953488 [0,0,0,0,0,0|4,0,0]=4 29 B11R1.230 CCNCc1cn(C)nc1C Amb31210293 [0,0,0,0,0,0|4,0,0]=4 30 B11R1.230 CCNCc1cn(C)nc1I Amb32672217 [0,0,0,0,0,0|4,0,0]=4 31 B11R1.230 CCNCc1cn(C)nc1N Amb32675903 [0,0,0,0,0,0|4,0,0]=4 32 B11R1.230 CCONC1CC(C)OC1=O Amb28366938 [0,0,0,0,0,0|2,0,2]=4 33 B11R1.230 CCO\C=C1\N=C(C)OC1=O Amb26422736 [0,0,0,0,0,0|2,0,2]=4 34 B11R1.230 CN1C=C(CCCN)C(=O)N1 Amb27224406 [0,0,0,0,0,0|3,0,0]=3 35 B11R1.230 CNCCc1cc(C)oc1C Amb33141069 [0,0,0,0,0,0|2,0,1]=3 36 B11R1.230 CNCCc1cc(C)sc1C Amb25327228 [0,0,0,0,0,0|2,1,1]=4 37 B11R1.230 CNCCc1cn(C)nc1C Amb24668837 [0,0,0,0,0,0|4,0,0]=4 38 B11R1.230 Cc1cc(CCC#N)c(C)o1 Amb33141071 [0,0,0,0,0,0|2,0,2]=4 39 B11R1.230 Cc1cc(CCC=O)c(C)o1 Amb33343604 [0,0,0,0,0,0|2,0,2]=4 40 B11R1.230 Cc1cc(CCCBr)c(C)o1 Amb33432499 [0,0,0,0,0,0|2,0,1]=3 41 B11R1.230 Cc1cc(CCCBr)c(C)s1 Amb33006831 [0,0,0,0,0,0|2,1,1]=4 42 B11R1.230 Cc1cc(CCCN)c(C)o1 Amb33141079 [0,0,0,0,0,0|2,0,1]=3 43 B11R1.230 Cc1cc(CCCN)c(C)s1 Amb18908792 [0,0,0,0,0,0|2,1,1]=4 44 B11R1.230 Cc1cc(CCCO)c(C)o1 Amb33343605 [0,0,0,0,0,0|2,0,1]=3 45 B11R1.230 Cc1cc(CCCO)c(C)s1 Amb28206107 [0,0,0,0,0,0|2,1,1]=4 46 B11R1.230 Cc1cc(CCCS)c(C)o1 Amb33342234 [0,0,0,0,0,0|2,0,1]=3 47 B11R1.230 Cc1cc(CCCS)c(C)s1 Amb33149522 [0,0,0,0,0,0|2,1,1]=4 48 B11R1.230 Cc1cc(CCON)c(C)o1 Amb33225808 [0,0,0,0,0,0|3,0,1]=4 49 B11R1.230 Cc1cc(OCCN)c(C)o1 Amb33343325 [0,0,0,0,0,0|3,0,1]=4 50 B11R1.230 Cc1nn(C)cc1CCCBr Amb26995549 [0,0,0,0,0,0|4,0,0]=4 51 B11R1.230 Cc1nn(C)cc1CCCO Amb24509884 [0,0,0,0,0,0|4,0,0]=4 52 B11R1.230 Cc1nn(C)cc1CCCS Amb33269380 [0,0,0,0,0,0|4,0,0]=4 53 B11R1.230 Cn1cc(CCCBr)c(Br)n1 Amb32690196 [0,0,0,0,0,0|4,0,0]=4 54 B11R1.230 Cn1cc(CCCCl)c(Br)n1 Amb32690195 [0,0,0,0,0,0|4,0,0]=4 55 B11R1.230 Cn1cc(CCCO)c(Br)n1 Amb32945801 [0,0,0,0,0,0|4,0,0]=4 56 B11R1.230 [*]c1cc(CCCC)c([*])s1 Amb32414626 [0,0,0,0,0,0|2,1,1]=4 57 B11R1.230 [C-]#[N+]CCc1cc(C)oc1C Amb33344777 [0,0,0,0,0,0|2,0,2]=4 58 B10R1.16 BrCCCc1coc(Br)c1 Amb27648040 [1,0,0,0,0,0|2,0,1]=4 59 B10R1.16 CCCCC1=CC(O)CC1 Amb27175460 [1,0,0,0,0,0|2,0,1]=4 60 B10R1.16 CCCC[n+]1ccn(C)c1 Amb21858204 [1,0,0,0,0,0|3,0,0]=4 61 B10R1.16 CCCC[n+]1ccn(C)c1 Amb22728700 [1,0,0,0,0,0|3,0,0]=4 62 B10R1.16 CCCC[n+]1ccn(C)c1 Amb3986724 [1,0,0,0,0,0|3,0,0]=4 63 B10R1.16 CCCCc1cc(N)on1 Amb33529162 [1,0,0,0,0,0|2,0,1]=4 64 B10R1.16 CCCCc1ccc(C)o1 Amb4018006 [1,0,0,0,0,0|2,0,1]=4 65 B10R1.16 CCCCc1ccc(C)s1 Amb10807431 [1,0,0,0,0,0|2,0,1]=4 66 B10R1.16 CCCCc1noc(C)n1 Amb27605040 [1,0,0,0,0,0|2,0,1]=4 67 B10R1.16 CCCCn1cc[n+](C)c1 Amb21963202 [1,0,0,0,0,0|3,0,0]=4 68 B10R1.16 CCCCn1cc[n+](C)c1 Amb22337437 [1,0,0,0,0,0|3,0,0]=4 69 B10R1.16 CCCCn1cc[n+](C)c1 Amb6366184 [1,0,0,0,0,0|3,0,0]=4 70 B10R1.16 CCCCn1cc[n+](C)c1 Amb8516221 [1,0,0,0,0,0|3,0,0]=4 71 B10R1.16 CCCCn1cc[n+](C)c1 Amb8516225 [1,0,0,0,0,0|3,0,0]=4 72 B10R1.16 CCCCn1cc[n+](C)c1 Amb8516262 [1,0,0,0,0,0|3,0,0]=4 73 B10R1.16 CCCCn1cc[n+](C)c1 Amb8516271 [1,0,0,0,0,0|3,0,0]=4 74 B10R1.16 CCCNc1cnn(C)c1 Amb31214236 [1,0,0,0,0,0|3,0,0]=4 75 B10R1.16 CCCNc1cnn(C)c1 Amb9396574 [1,0,0,0,0,0|3,0,0]=4 76 B10R1.16 CCCOc1cnn(C)c1 Amb27473102 [1,0,0,0,0,0|3,0,0]=4 77 B10R1.16 CCCSc1cc(C)on1 Amb26895800 [1,0,0,0,0,0|2,0,1]=4 78 B10R1.16 CCNCc1ccn(C)c1 Amb18562178 [1,0,0,0,0,0|3,0,0]=4 79 B10R1.16 CCNCc1cnn(C)c1 Amb10609984 [1,0,0,0,0,0|3,0,0]=4 80 B10R1.16 CCNCc1cnn(C)c1 Amb10610022 [1,0,0,0,0,0|3,0,0]=4 81 B10R1.16 CCNCc1cnn(C)c1 Amb6715954 [1,0,0,0,0,0|3,0,0]=4 82 B10R1.16 CCNCc1coc(C)c1 Amb27601179 [1,0,0,0,0,0|1,0,1]=3 83 B10R1.16 CCNCc1coc(C)n1 Amb27175410 [1,0,0,0,0,0|2,0,1]=4 84 B10R1.16 CCSCc1cc(C)on1 Amb28455191 [1,0,0,0,0,0|2,0,1]=4 85 B10R1.16 CNCCc1cc(C)on1 Amb33317114 [1,0,0,0,0,0|2,0,1]=4 86 B10R1.16 CNCCc1ccn(C)c1 Amb18562095 [1,0,0,0,0,0|3,0,0]=4 87 B10R1.16 CNCCc1cnn(C)c1 Amb15701685 [1,0,0,0,0,0|3,0,0]=4 88 B10R1.16 CNCCc1coc(Cl)c1 Amb27170023 [1,0,0,0,0,0|2,0,1]=4 89 B10R1.16 COCCc1cnn(C)c1 Amb22893516 [1,0,0,0,0,0|3,0,0]=4 90 B10R1.16 Cc1cc(CCC=O)co1 Amb27202262 [1,0,0,0,0,0|1,0,2]=4 91 B10R1.16 Cc1cc(CCCBr)cs1 Amb26445035 [1,0,0,0,0,0|1,1,1]=4 92 B10R1.16 Cc1cc(CCCBr)no1 Amb27790497 [1,0,0,0,0,0|2,0,1]=4 93 B10R1.16 Cc1cc(CCCCl)cs1 Amb25312736 [1,0,0,0,0,0|1,1,1]=4 94 B10R1.16 Cc1cc(CCCCl)no1 Amb26654503 [1,0,0,0,0,0|2,0,1]=4 95 B10R1.16 Cc1cc(CCCN)co1 Amb18832018 [1,0,0,0,0,0|1,0,1]=3 96 B10R1.16 Cc1cc(CCCN)no1 Amb6252672 [1,0,0,0,0,0|2,0,1]=4 97 B10R1.16 Cc1cc(CCCO)cs1 Amb25797741 [1,0,0,0,0,0|1,1,1]=4 98 B10R1.16 Cc1cc(CCCO)no1 Amb26991862 [1,0,0,0,0,0|2,0,1]=4 99 B10R1.16 Cc1cc(CCCS)no1 Amb33315955 [1,0,0,0,0,0|2,0,1]=4 100 B10R1.16 Cc1nc(CCCN)co1 Amb18831849 [1,0,0,0,0,0|2,0,1]=4 101 B10R1.16 ClCCCc1coc(Br)c1 Amb24504782 [1,0,0,0,0,0|2,0,1]=4 102 B10R1.16 Cn1cc(CCCBr)cn1 Amb10609137 [1,0,0,0,0,0|3,0,0]=4 103 B10R1.16 Cn1cc(CCCCl)cn1 Amb13953236 [1,0,0,0,0,0|3,0,0]=4 104 B10R1.16 Cn1cc(CCCCl)cn1 Amb19373067 [1,0,0,0,0,0|3,0,0]=4 105 B10R1.16 Cn1cc(CCCI)cn1 Amb28121343 [1,0,0,0,0,0|3,0,0]=4 106 B10R1.16 Cn1cc(CCCN)cn1 Amb13952764 [1,0,0,0,0,0|3,0,0]=4 107 B10R1.16 Cn1cc(CCCN)cn1 Amb22279584 [1,0,0,0,0,0|3,0,0]=4 108 B10R1.16 Cn1cc(CCCO)cn1 Amb2796362 [1,0,0,0,0,0|3,0,0]=4 109 B10R1.16 Cn1cc(CCCS)cn1 Amb28121357 [1,0,0,0,0,0|3,0,0]=4 110 B10R1.16 Cn1ccc(CCCN)c1 Amb18562123 [1,0,0,0,0,0|3,0,0]=4 111 B10R1.16 Cn1ccc(CCCO)c1 Amb18223708 [1,0,0,0,0,0|3,0,0]=4 112 B10R1.16 OCCCc1coc(Br)c1 Amb26910291 [1,0,0,0,0,0|2,0,1]=4 113 B10R1.29 C=CCCC1=CCCC1=O Amb27959467 [1,0,0,0,0,0|1,0,2]=4 114 B10R1.29 CCCCC1CCCC1=O Amb19301037 [1,0,0,0,0,0|1,0,2]=4 115 B10R1.29 CCCCN1C=CSC1=O Amb28347394 [1,0,0,0,0,0|1,1,1]=4 116 B10R1.29 CCCCN1CCCC1=O Amb4605894 [1,0,0,0,0,0|2,0,1]=4 117 B10R1.29 CCCCc1ccsc1Br Amb19958946 [1,0,0,0,0,0|1,1,1]=4 118 B10R1.29 CCCSc1ccoc1C Amb27424928 [1,0,0,0,0,0|2,0,1]=4 119 B10R1.29 CCCSc1cnoc1N Amb28078054 [1,0,0,0,0,0|3,0,0]=4 120 B10R1.29 CCC\C=C1/CCCC1=O Amb25936513 [1,0,0,0,0,0|1,0,2]=4 121 B10R1.29 CCC\C=C1\CCCC1=O Amb27432602 [1,0,0,0,0,0|1,0,2]=4 122 B10R1.29 CCC\C=C1\CCNC1=O Amb27632969 [1,0,0,0,0,0|1,0,2]=4 123 B10R1.29 CCNCc1ccoc1C Amb8853712 [1,0,0,0,0,0|2,0,1]=4 124 B10R1.29 CCN\C=C1\CCOC1=O Amb27626048 [1,0,0,0,0,0|1,0,2]=4 125 B10R1.29 CCO\C=C1\C=COC1=O Amb27185925 [1,0,0,0,0,0|1,0,2]=4 126 B10R1.29 CNCCN1CCOC1=O Amb18990889 [1,0,0,0,0,0|2,0,1]=4 127 B10R1.29 CNCCN1CCOC1=O Amb20629670 [1,0,0,0,0,0|2,0,1]=4 128 B10R1.29 CNCCc1ccoc1C Amb26526948 [1,0,0,0,0,0|2,0,1]=4 129 B10R1.29 CNCCc1cnoc1C Amb33361712 [1,0,0,0,0,0|3,0,0]=4 130 B10R1.29 CSCCC1CCOC1=O Amb27467850 [1,0,0,0,0,0|1,0,2]=4 131 B10R1.29 Cc1occc1CCCBr Amb33432632 [1,0,0,0,0,0|2,0,1]=4 132 B10R1.29 Cc1occc1CCCN Amb18832013 [1,0,0,0,0,0|2,0,1]=4 133 B10R1.29 Cc1occc1CCCO Amb33274327 [1,0,0,0,0,0|2,0,1]=4 134 B10R1.29 Cc1occc1CCCS Amb33274021 [1,0,0,0,0,0|2,0,1]=4 135 B10R1.29 Cc1oncc1CCCBr Amb33450808 [1,0,0,0,0,0|3,0,0]=4 136 B10R1.29 Cc1oncc1CCCN Amb18984896 [1,0,0,0,0,0|3,0,0]=4 137 B10R1.29 Cc1oncc1CCCO Amb33361130 [1,0,0,0,0,0|3,0,0]=4 138 B10R1.29 Cc1oncc1CCCS Amb33361112 [1,0,0,0,0,0|3,0,0]=4 139 B10R1.29 NCCCC1C=NOC1=O Amb19515739 [1,0,0,0,0,0|2,0,1]=4 140 B10R1.29 NCCCC1CCOC1=O Amb32668910 [1,0,0,0,0,0|1,0,2]=4 141 B10R1.29 NCCCC1CCOC1=O Amb32674869 [1,0,0,0,0,0|1,0,2]=4 142 B10R1.29 NCCCN1CCOC1=O Amb6673433 [1,0,0,0,0,0|2,0,1]=4 143 B10R1.29 O=C1OCCC1CCCO Amb27977861 [1,0,0,0,0,0|1,0,2]=4 144 B10R1.29 O=C1OCCN1CCCBr Amb8828138 [1,0,0,0,0,0|2,0,1]=4 145 B10R1.29 O=C1OCCN1CCCCl Amb6673446 [1,0,0,0,0,0|2,0,1]=4 146 B10R1.29 O=C1OCCN1CCCI Amb35725943 [1,0,0,0,0,0|2,0,1]=4 147 B10R1.29 O=C1OCCN1CCCO Amb9370476 [1,0,0,0,0,0|2,0,1]=4 148 B10R1.29 O=C1OCC[C@H]1CCCF Amb27949209 [1,0,0,0,0,0|1,0,2]=4 149 B10R1.29 O=C1OCC\C1=C/CCBr Amb27194756 [1,0,0,0,0,0|1,0,2]=4 150 B10R1.29 O=CCCC1=CCSC1=O Amb27980114 [1,0,0,0,0,0|1,1,1]=4 151 B10R1.130 C=C1C=C(CCC)C(=O)C1 Amb27770441 [1,0,0,0,0,0|1,0,2]=4 152 B10R1.130 C=CCC1=CC(O)OC1=O Amb32655008 [1,0,0,0,0,0|1,0,2]=4 153 B10R1.130 CC1CN(CCCl)C(=O)O1 Amb28291401 [1,0,0,0,0,0|2,0,1]=4 154 B10R1.130 CC1CN(CCN)C(=O)O1 Amb25083261 [1,0,0,0,0,0|2,0,1]=4 155 B10R1.130 CC1C\C(=C/CBr)C(=O)O1 Amb28132415 [1,0,0,0,0,0|1,0,2]=4 156 B10R1.130 CC1C\C(=C/CO)C(=O)O1 Amb27399744 [1,0,0,0,0,0|1,0,2]=4 157 B10R1.130 CCCC1=CC(O)OC1=O Amb32655007 [1,0,0,0,0,0|1,0,0]=2 158 B10R1.130 CCCC1CC(C)OC1=O Amb4136406 [1,0,0,0,0,0|0,0,2]=3 159 B10R1.130 CCCN1C=C(C)NC1=O Amb26368229 [1,0,0,0,0,0|2,0,1]=4 160 B10R1.130 CCOC1=CC(=O)OC1=O Amb23556175 [1,0,0,0,0,0|2,0,1]=4 161 B10R1.130 CCSC1=CC(O)CC1=O Amb27854574 [1,0,0,0,0,0|3,0,0]=4 162 B10R1.130 CC\C=C1\CC(C)OC1=O Amb27448139 [1,0,0,0,0,0|0,0,2]=3 163 B10R1.130 CNCc1cc(C)oc1C Amb8853672 [1,0,0,0,0,0|2,0,1]=4 164 B10R1.130 C[C@@H]1C=C(CCO)C(=O)O1 Amb28350087 [1,0,0,0,0,0|1,0,0]=2 165 B10R1.130 Cc1cc(CCBr)c(C)o1 Amb33432509 [1,0,0,0,0,0|2,0,1]=4 166 B10R1.130 Cc1cc(CCN)c(C)o1 Amb18832019 [1,0,0,0,0,0|2,0,1]=4 167 B10R1.130 Cc1cc(CCO)c(C)o1 Amb26350139 [1,0,0,0,0,0|2,0,1]=4 168 B10R1.130 Cc1cc(CCS)c(C)o1 Amb33342235 [1,0,0,0,0,0|2,0,1]=4 169 B12R1.313 CCCC(=O)C1CC(C)OC1=O Amb23455752 [0,1,0,0,0,0|0,0,3]=4 170 B12R1.313 CCCC(Cl)c1cc(C)sc1C Amb25789102 [0,1,0,0,0,0|1,1,1]=4 171 B12R1.313 CCCC(N)c1cc(C)sc1C Amb9206417 [0,1,0,0,0,0|1,1,1]=4 172 B12R1.313 CNCC(O)c1cc(C)oc1C Amb26457624 [0,1,0,0,0,0|2,0,1]=4 173 B12R1.313 Cc1cc(C(C)CCN)c(C)o1 Amb18981396 [0,1,0,0,0,0|2,0,1]=4 174 B12R1.313 Cc1cc(C(F)CCN)c(C)o1 Amb33344084 [0,1,0,0,0,0|2,0,1]=4 175 B12R1.313 Cc1cc(C(N)CCO)c(C)o1 Amb28072898 [0,1,0,0,0,0|2,0,1]=4 176 B12R1.313 Cc1cc(C(O)CCN)c(C)o1 Amb22643215 [0,1,0,0,0,0|2,0,1]=4 177 B12R1.313 Cc1cc([C@@H](N)CCO)c(C)o1 Amb27830670 [0,1,0,0,0,0|2,0,1]=4 178 B12R1.313 Cc1cc([C@@H](O)CCN)c(C)o1 Amb33344757 [0,1,0,0,0,0|2,0,1]=4 179 B12R1.313 Cc1cc([C@H](O)CCN)c(C)o1 Amb33344085 [0,1,0,0,0,0|2,0,1]=4 180 B12R1.376 CCCCc1cn(C)nc1C#N Amb32684989 [0,1,0,0,0,0|3,0,0]=4 181 B12R1.376 CCCCc1nn(C)cc1C=O Amb33309373 [0,1,0,0,0,0|3,0,0]=4 182 B12R1.377 CC1(C)C=C(CCCO)C(=O)C1 Amb27748597 [0,1,0,0,0,0|2,0,0]=3 183 B12R1.378 CCCCN1CC(CBr)OC1=O Amb32718737 [0,1,0,0,0,0|1,0,1]=3 184 B12R1.378 CCCCN1CC(CCl)OC1=O Amb32863716 [0,1,0,0,0,0|1,0,1]=3 185 B12R1.378 CCCCN1CC(CN)CC1=O Amb17077353 [0,1,0,0,0,0|2,0,1]=4 186 B12R1.378 CCCCN1CC(CN)OC1=O Amb17077248 [0,1,0,0,0,0|1,0,1]=3 187 B12R1.378 CCCCN1CC(CO)CC1=O Amb5755309 [0,1,0,0,0,0|2,0,1]=4 188 B12R1.378 COCCN1CC(CN)OC1=O Amb17077254 [0,1,0,0,0,0|2,0,1]=4 189 B12R1.379 CCC\C=C1/C=C(C)C(C)C1=O Amb28253864 [0,1,0,0,0,0|1,0,2]=4 190 B12R1.456 CCCCNc1cn(C)nc1C Amb31213719 [0,1,0,0,0,0|3,0,0]=4 191 B12R1.456 CCCNCc1cn(C)nc1C Amb31210294 [0,1,0,0,0,0|3,0,0]=4 192 B12R1.456 CCCNCc1cn(C)nc1I Amb32672230 [0,1,0,0,0,0|3,0,0]=4 193 B12R1.456 CCCNCc1cn(C)nc1N Amb32675908 [0,1,0,0,0,0|3,0,0]=4 194 B12R1.456 Cc1cc(CCCC=O)c(C)o1 Amb33343600 [0,1,0,0,0,0|1,0,2]=4 195 B12R1.456 Cc1cc(CCCCN)c(C)o1 Amb33343606 [0,1,0,0,0,0|1,0,1]=3 196 B12R1.456 Cc1cc(CCCCN)c(C)s1 Amb33172325 [0,1,0,0,0,0|1,1,1]=4 197 B12R1.456 Cc1cc(OCCCN)c(C)o1 Amb33342236 [0,1,0,0,0,0|2,0,1]=4 198 B12R1.456 Cc1nn(C)cc1CCCCN Amb18826890 [0,1,0,0,0,0|3,0,0]=4 199 B12R1.532 CC1C=C(CC(O)CO)C(=O)O1 Amb27190948 [0,1,0,0,0,0|1,0,0]=2 200 B12R1.532 CC1CN(CC(O)CF)C(=O)O1 Amb33495246 [0,1,0,0,0,0|2,0,1]=4 201 B12R1.532 CCC(=O)CC1C[C@@H](C)OC1=O Amb27433534 [0,1,0,0,0,0|0,0,3]=4 202 B12R1.532 CCC(C)CN1C=C(C)NC1=O Amb35665649 [0,1,0,0,0,0|2,0,1]=4 203 B12R1.532 Cc1cc(CC(N)CO)c(C)o1 Amb33344405 [0,1,0,0,0,0|2,0,1]=4 204 B12R1.532 Cc1cc(CC(O)CN)c(C)o1 Amb33343628 [0,1,0,0,0,0|2,0,1]=4 205 B12R1.861 CC(=O)CCc1cc(C)oc1C Amb33343602 [0,1,0,0,0,0|1,0,2]=4 206 B12R1.861 CC(C)CNC1CC(C)OC1=O Amb27979243 [0,1,0,0,0,0|1,0,2]=4 207 B12R1.861 CC(O)CCN1CC(C)CC1=O Amb27655519 [0,1,0,0,0,0|2,0,1]=4 208 B12R1.861 CC1=CN(CCC(C)C)C(=O)N1 Amb35665650 [0,1,0,0,0,0|2,0,1]=4 209 B12R1.861 Cc1cc(CCC(C)N)c(C)o1 Amb33344068 [0,1,0,0,0,0|1,0,1]=3 210 B12R1.861 Cc1cc(CCC(C)N)c(C)s1 Amb33473051 [0,1,0,0,0,0|1,1,1]=4 211 B12R1.861 Cc1cc(CCC(C)O)c(C)o1 Amb33344067 [0,1,0,0,0,0|1,0,1]=3 212 B12R1.861 Cc1cc(CCC(C)O)c(C)s1 Amb33473050 [0,1,0,0,0,0|1,1,1]=4 213 B12R1.861 Cc1cc(CC[C@@H](C)N)c(C)o1 Amb33344063 [0,1,0,0,0,0|1,0,1]=3 214 B12R1.861 Cc1cc(CC[C@@H](C)N)c(C)s1 Amb33472657 [0,1,0,0,0,0|1,1,1]=4 215 B12R1.861 Cc1cc(CC[C@@H](C)O)c(C)o1 Amb33344064 [0,1,0,0,0,0|1,0,1]=3 216 B12R1.861 Cc1cc(CC[C@@H](C)O)c(C)s1 Amb33223805 [0,1,0,0,0,0|1,1,1]=4 217 B12R1.861 Cc1cc(CC[C@H](C)N)c(C)o1 Amb33344062 [0,1,0,0,0,0|1,0,1]=3 218 B12R1.861 Cc1cc(CC[C@H](C)N)c(C)s1 Amb33472656 [0,1,0,0,0,0|1,1,1]=4 219 B12R1.861 Cc1cc(CC[C@H](C)O)c(C)o1 Amb33344065 [0,1,0,0,0,0|1,0,1]=3 220 B12R1.861 Cc1cc(CC[C@H](C)O)c(C)s1 Amb33473049 [0,1,0,0,0,0|1,1,1]=4 221 B12R1.861 Cc1cc(CNC(C)C)c(C)o1 Amb8853795 [0,1,0,0,0,0|2,0,1]=4 222 B12R1.861 Cc1nn(C)cc1CCC(C)N Amb25036354 [0,1,0,0,0,0|3,0,0]=4 223 B12R1.861 Cc1nn(C)cc1CCC(C)O Amb24720745 [0,1,0,0,0,0|3,0,0]=4 224 B12R1.861 Cc1nn(C)cc1CC[C@@H](C)N Amb33270180 [0,1,0,0,0,0|3,0,0]=4 225 B12R1.861 Cc1nn(C)cc1CC[C@@H](C)O Amb33270181 [0,1,0,0,0,0|3,0,0]=4 226 B12R1.861 Cc1nn(C)cc1CC[C@H](C)N Amb33270785 [0,1,0,0,0,0|3,0,0]=4 227 B12R1.861 Cc1nn(C)cc1CC[C@H](C)O Amb33270182 [0,1,0,0,0,0|3,0,0]=4 228 B12R1.1624 CC1=C(SCCO)C(=O)ON1C Amb27752354 [0,1,0,0,0,0|3,0,0]=4 229 B12R1.1624 CC1CC(=O)N(CCCF)C1=O Amb27836463 [0,1,0,0,0,0|3,0,0]=4 230 B12R1.1624 CC1CC(=O)N(CCCS)C1=O Amb27207986 [0,1,0,0,0,0|3,0,0]=4 231 B12R1.1624 CC1NC(=O)N(CCCF)C1=O Amb28126299 [0,1,0,0,0,0|3,0,0]=4 232 B12R1.1624 CC1NC(=O)N(CCCN)C1=O Amb18198626 [0,1,0,0,0,0|3,0,0]=4 233 B12R1.1624 CC1NC(=O)N(CCCO)C1=O Amb28282396 [0,1,0,0,0,0|3,0,0]=4 234 B12R1.1624 CCCCC1=C(C)C(=O)NC1=O Amb27638100 [0,1,0,0,0,0|2,0,1]=4 235 B12R1.1624 CCCCC1=C(C)CC(Cl)C1=O Amb27233509 [0,1,0,0,0,0|3,0,0]=4 236 B12R1.1624 CCCCC1=C(N)N(C)OC1=O Amb27659328 [0,1,0,0,0,0|1,0,0]=2 237 B12R1.1624 CCCCC1=C(N)ON(C)C1=O Amb27858871 [0,1,0,0,0,0|2,0,0]=3 238 B12R1.1624 CCCCC1C(=O)CC(O)C1=O Amb27748609 [0,1,0,0,0,0|2,0,1]=4 239 B12R1.1624 CCCCC1C(=O)O[C@@H](C)[C@H]1O Amb27626881 [0,1,0,0,0,0|0,0,2]=3 240 B12R1.1624 CCCCN1C(=O)CC(C)C1=O Amb24441869 [0,1,0,0,0,0|2,0,0]=3 241 B12R1.1624 CCCCN1C(=O)NC(C)=C1C Amb27864030 [0,1,0,0,0,0|2,0,1]=4 242 B12R1.1624 CCCC[C@@H]1C(=O)O[C@@H](C)[C@H]1O Amb27451092 [0,1,0,0,0,0|0,0,2]=3 243 B12R1.1624 CCCC[C@@H]1C(=O)O[C@H](C)[C@@H]1O Amb27451993 [0,1,0,0,0,0|0,0,2]=3 244 B12R1.1624 CCCC[C@H]1C(=O)O[C@@H](C)[C@H]1O Amb27428235 [0,1,0,0,0,0|0,0,2]=3 245 B12R1.1624 CCCCc1c(C)nn(C)c1N Amb28050953 [0,1,0,0,0,0|3,0,0]=4 246 B12R1.1624 CCCCc1c(C)nn(C)c1O Amb33099621 [0,1,0,0,0,0|3,0,0]=4 247 B12R1.1624 CCC\C=C1/C(=O)O[C@@H](C)[C@@H]1O Amb28079068 [0,1,0,0,0,0|0,0,2]=3 248 B12R1.1624 CCSCN1C(=O)NC(C)C1=O Amb27659015 [0,1,0,0,0,0|3,0,0]=4 249 B12R1.1624 CNCCN1C(=O)CC(C)C1=O Amb18299815 [0,1,0,0,0,0|3,0,0]=4 250 B12R1.1624 COCCN1C(=O)C[C@H](C)C1=O Amb27193068 [0,1,0,0,0,0|3,0,0]=4 251 B12R1.1624 COCCN1C(=O)NC(C)C1=O Amb17597592 [0,1,0,0,0,0|3,0,0]=4 252 B12R1.1624 COCCN1C(=O)N[C@@H](C)C1=O Amb28400494 [0,1,0,0,0,0|3,0,0]=4 253 B10R0.6 C=C(C)NC(=O)NCCCC Amb28187968 [0,0,1,0,0,0|2,0,1]=4 254 B10R0.6 C=C(C)NC(=O)OCCCC Amb27673430 [0,0,1,0,0,0|2,0,1]=4 255 B10R0.6 CCCCCC(=O)CC(C)C Amb18182142 [0,0,1,0,0,0|1,0,2]=4 256 B10R0.6 CCCCOC(=O)OC(C)Cl Amb33069003 [0,0,1,0,0,0|2,0,0]=3 257 B10R0.19 CC#CCC(=O)C(=O)OCC Amb27673233 [0,0,1,0,0,0|1,0,2]=4 258 B10R0.19 CCCCC(=O)C(=O)OCC Amb10603615 [0,0,1,0,0,0|1,0,0]=2 259 B10R0.19 CCCCC(Br)C(=O)OCC Amb3939967 [0,0,1,0,0,0|1,0,1]=3 260 B10R0.19 CCCCC(N)C(=O)NCC Amb18179826 [0,0,1,0,0,0|2,0,1]=4 261 B10R0.19 CCCCC(N)C(=O)OCC Amb2786375 [0,0,1,0,0,0|1,0,1]=3 262 B10R0.19 CCCCN(N)C(=O)CCC Amb33191478 [0,0,1,0,0,0|3,0,0]=4 263 B10R0.19 CCCC[C@@H](N)C(=O)OCC Amb33804647 [0,0,1,0,0,0|1,0,1]=3 264 B10R0.19 CCCC[C@H](N)C(=O)OCC Amb33803846 [0,0,1,0,0,0|1,0,1]=3 265 B10R0.19 CCCNC(=O)C(=O)OCC Amb3886636 [0,0,1,0,0,0|2,0,0]=3 266 B10R0.19 CCCNC(C)C(=O)OCC Amb18792092 [0,0,1,0,0,0|1,0,2]=4 267 B10R0.19 CCCNC(C)C(=O)OCC Amb33528413 [0,0,1,0,0,0|1,0,2]=4 268 B10R0.19 CCOC(=O)C(=O)CCC#N Amb6299622 [0,0,1,0,0,0|2,0,1]=4 269 B10R0.19 CCOC(=O)C(=O)NCOC Amb34915202 [0,0,1,0,0,0|3,0,0]=4 270 B10R0.19 CCOC(=O)C(Br)CCCBr Amb22234280 [0,0,1,0,0,0|2,0,1]=4 271 B10R0.19 CCOC(=O)C(C)CCCN Amb33803188 [0,0,1,0,0,0|1,0,2]=4 272 B10R0.19 CCOC(=O)C(N)CCCF Amb33036729 [0,0,1,0,0,0|2,0,1]=4 273 B10R0.19 CCOC(=O)C(N)CCCO Amb33309108 [0,0,1,0,0,0|2,0,1]=4 274 B10R0.19 CCOC(=O)C(N)CCOC Amb18183465 [0,0,1,0,0,0|2,0,1]=4 275 B10R0.19 CCOC(=O)C(N)CCOC Amb31188257 [0,0,1,0,0,0|2,0,1]=4 276 B10R0.19 CCOC(=O)C(N)CCSC Amb17758560 [0,0,1,0,0,0|2,0,1]=4 277 B10R0.19 CCOC(=O)C(N)CCSC Amb2719833 [0,0,1,0,0,0|2,0,1]=4 278 B10R0.19 CCOC(=O)C(O)CCSC Amb33529798 [0,0,1,0,0,0|2,0,1]=4 279 B10R0.19 CCOC(=O)[C@@H](N)CCCN Amb16234080 [0,0,1,0,0,0|2,0,1]=4 280 B10R0.19 CCOC(=O)[C@@H](N)CCCN Amb22745899 [0,0,1,0,0,0|2,0,1]=4 281 B10R0.19 CCOC(=O)[C@@H](N)CCSC Amb2720481 [0,0,1,0,0,0|2,0,1]=4 282 B10R0.19 CCOC(=O)[C@@H](N)CCSC Amb2725102 [0,0,1,0,0,0|2,0,1]=4 283 B10R0.19 CCOC(=O)[C@H](N)CCSC Amb16183948 [0,0,1,0,0,0|2,0,1]=4 284 B10R0.19 CCOC(=O)[C@H](N)CCSC Amb8628591 [0,0,1,0,0,0|2,0,1]=4 285 B10R0.19 CCOCC(N)C(=O)OCC Amb33527129 [0,0,1,0,0,0|2,0,1]=4 286 B10R0.19 CCOCC(N)C(=O)OCC Amb6740294 [0,0,1,0,0,0|2,0,1]=4 287 B10R0.19 CCO\C=C(/C)C(=O)OCC Amb33521794 [0,0,1,0,0,0|1,0,2]=4 288 B10R0.88 CCCC(CCCO)C(=O)O Amb33421979 [0,0,1,0,0,0|1,0,2]=4 289 B10R0.88 CCCCC(OCC)C(=O)O Amb33624644 [0,0,1,0,0,0|1,0,1]=3 290 B10R0.88 CCCC[C@@H](NCC)C(=O)O Amb33347490 [0,0,1,0,0,0|1,0,1]=3 291 B10R0.88 CCN[C@@H](COCC)C(=O)O Amb33347504 [0,0,1,0,0,0|2,0,1]=4 292 B10R0.88 CCN[C@H](CCSC)C(=O)O Amb33347486 [0,0,1,0,0,0|2,0,1]=4 293 B12R2.620 C[C@@H]1OC(=O)N2CC[C@H](O)[C@H]12 Amb27207714 [0,0,0,1,0,0|2,0,1]=4 294 B12R2.633 CC12CC(CCC1Cl)C(=O)O2 Amb28325880 [0,0,0,1,0,0|1,0,2]=4 295 B12R2.633 CC12CC(CCC1O)C(=O)O2 Amb28065265 [0,0,0,1,0,0|1,0,2]=4 296 B12R2.993 Cc1cc(C2CCN2)c(C)o1 Amb27473350 [0,0,0,1,0,0|2,0,1]=4 297 B12R2.993 Cc1cc(C2CNC2)c(C)o1 Amb33344408 [0,0,0,1,0,0|2,0,1]=4 298 B12R2.996 C[C@@H]1C[C@H]2CCCC[C@H]1C2=O Amb27199188 [0,0,0,1,0,0|1,0,2]=4 299 B12R2.1041 Cc1cc2c(o1)CCNCC2 Amb18831248 [0,0,0,1,0,0|2,0,1]=4 300 B12R2.1041 Cc1cc2c(o1)CNCCC2 Amb18831245 [0,0,0,1,0,0|2,0,1]=4 301 B12R2.1041 Nc1cc2c(o1)CCCCC2 Amb18201638 [0,0,0,1,0,0|2,0,1]=4 302 B12R2.2028 CC1CC(=O)C2=C1CCCC2 Amb16191935 [0,0,0,1,0,0|1,0,0]=2 303 B12R2.2028 CC1CC(=O)C2=CCCCC21 Amb28381255 [0,0,0,1,0,0|1,0,2]=4 304 B12R2.2028 CC1CC(O)C2=C1CCCC2 Amb27207791 [0,0,0,1,0,0|1,0,2]=4 305 B12R2.2028 CC1OC(=O)C2=C1CCCC2 Amb25921458 [0,0,0,1,0,0|0,0,0]=1 306 B12R2.2028 CC1OC(=O)C2=C1NCCC2 Amb28399429 [0,0,0,1,0,0|1,0,0]=2 307 B12R2.2028 CC1OC(=O)C2NCCCC12 Amb28365385 [0,0,0,1,0,0|1,0,2]=4 308 B12R2.2028 CC1OC(=O)[C@@H]2NCCC[C@H]12 Amb27231641 [0,0,0,1,0,0|1,0,2]=4 309 B12R2.2028 Cc1nn(C)c2c1CCCC2 Amb28125861 [0,0,0,1,0,0|3,0,0]=4 310 B12R2.2028 Cn1nc(Br)c2c1CCCC2 Amb25241803 [0,0,0,1,0,0|3,0,0]=4 311 B12R2.2028 Cn1nc(I)c2c1CCCC2 Amb28434899 [0,0,0,1,0,0|3,0,0]=4 312 B12R2.2028 Cn1nc(N)c2c1CCCC2 Amb18201531 [0,0,0,1,0,0|3,0,0]=4 313 B12R2.2028 Cn1nc(N)c2c1CCCC2 Amb33874778 [0,0,0,1,0,0|3,0,0]=4 314 B12R2.2028 N=C1NC(=O)C2=C1CCCC2 Amb27403097 [0,0,0,1,0,0|2,0,1]=4 315 B12R2.2028 O=C1NC(=O)C2=C1CCCC2 Amb15691889 [0,0,0,1,0,0|2,0,1]=4 316 B12R2.2028 O=C1OC(=O)C2=C1CCCC2 Amb535735 [0,0,0,1,0,0|1,0,1]=3 317 B12R2.2028 O=C1OC(=O)C2=C1CCOC2 Amb33456388 [0,0,0,1,0,0|2,0,1]=4 318 B12R2.2028 O=C1OC(O)[C@H]2CCCC[C@@H]12 Amb28053672 [0,0,0,1,0,0|1,0,2]=4 319 B12R2.2310 Cc1cc(CC2CO2)c(C)o1 Amb33344047 [0,0,0,1,0,0|2,0,1]=4 320 B12R2.2763 Cc1cc(C2CC2N)c(C)o1 Amb33344689 [0,0,0,1,0,0|2,0,1]=4 321 B12R2.2763 Cc1cc([C@@H]2C[C@H]2N)c(C)o1 Amb33344690 [0,0,0,1,0,0|2,0,1]=4 322 B10R1.217 CCCSC1=CC(=O)C1=O Amb28321905 [0,0,0,0,1,0|2,0,1]=4 323 B10R1.406 CCCCC1=C(N)CC1=O Amb28040918 [0,0,0,0,1,0|2,0,1]=4 324 B10R1.406 CCCCC1C(=O)CC1C Amb27802538 [0,0,0,0,1,0|1,0,1]=3 325 B10R1.406 CCCCC1C(=O)NC1C Amb27816027 [0,0,0,0,1,0|1,0,1]=3 326 B10R1.406 CCCC[C@@H]1C(=O)C[C@@H]1C Amb28142264 [0,0,0,0,1,0|1,0,1]=3 327 B12R1.69 CC1CC=C(CCC#N)C(=O)C1 Amb18645906 [0,0,0,0,0,1|2,0,1]=4 328 B12R1.69 CCCCC1=C(Cl)OC(=O)C=C1 Amb27840648 [0,0,0,0,0,1|2,0,1]=4 329 B12R1.69 CCCCN1C=CC(C)=CC1=O Amb18403659 [0,0,0,0,0,1|2,0,1]=4 330 B12R1.69 CCCCN1C=CC(C)=NC1=O Amb26375755 [0,0,0,0,0,1|2,0,1]=4 331 B12R1.69 CCCC[C@H]1CC[C@@H](C)CC1=O Amb27434158 [0,0,0,0,0,1|1,0,2]=4 332 B12R1.69 CCCCc1ccc(C)nc1N Amb35713104 [0,0,0,0,0,1|2,0,1]=4 333 B12R1.69 CCCCc1ncc(C)cc1N Amb24673024 [0,0,0,0,0,1|2,0,1]=4 334 B12R1.69 CCCCc1ncc(C)nc1C Amb28340900 [0,0,0,0,0,1|2,0,1]=4 335 B12R1.69 CCCOC1=CNC(C)=CC1=O Amb19120152 [0,0,0,0,0,1|2,0,1]=4 336 B12R1.69 CCCOC1=COC(C)=CC1=O Amb27761314 [0,0,0,0,0,1|2,0,1]=4 337 B12R1.69 CCC\C=C1\CCC(C)CC1=O Amb27433537 [0,0,0,0,0,1|1,0,2]=4 338 B12R1.69 CCC\C=C1\CC[C@@H](C)CC1=O Amb27177906 [0,0,0,0,0,1|1,0,2]=4 339 B12R1.69 CCNCC1=CNC(C)=CC1=O Amb27973407 [0,0,0,0,0,1|2,0,1]=4 340 B12R1.100 CC1=CC(OCCN)=CC(=O)O1 Amb22642627 [0,0,0,0,0,1|2,0,1]=4 341 B12R1.100 CC1=CC(OCCN)=CC(=O)O1 Amb35745894 [0,0,0,0,0,1|2,0,1]=4 342 B12R1.100 CCCCC1=CC(C)=CC(=O)N1 Amb28243909 [0,0,0,0,0,1|1,0,1]=3 343 B12R1.100 CCCCC1=NC(=O)NC(C)=N1 Amb35742741 [0,0,0,0,0,1|2,0,1]=4 344 B12R1.100 CCCCN1CC(=O)NC(C)C1 Amb27224891 [0,0,0,0,0,1|2,0,1]=4 345 B12R1.100 CCCC[C@@H]1CC(=O)C[C@@H](C)C1 Amb27844192 [0,0,0,0,0,1|1,0,2]=4 346 B12R1.100 CCCCc1cc(C)cc(C)c1 Amb20621114 [0,0,0,0,0,1|2,0,1]=4 347 B12R1.100 CCCCc1cc(C)cc(N)n1 Amb27412484 [0,0,0,0,0,1|2,0,1]=4 348 B12R1.100 CCCCc1cc(C)nc(F)c1 Amb32696423 [0,0,0,0,0,1|2,0,1]=4 349 B12R1.100 CCCNC1=CC(=O)CC(C)C1 Amb21967563 [0,0,0,0,0,1|2,0,1]=4 350 B12R1.100 CCOCC1=CC(=O)NC(C)=C1 Amb27633356 [0,0,0,0,0,1|2,0,1]=4 351 B12R1.374 CCCCC1=CC(Cl)=NNC1=O Amb27964791 [0,0,0,0,0,1|2,0,1]=4 352 B12R1.374 CCCCC1=CC(O)CCC1=O Amb27164663 [0,0,0,0,0,1|2,0,0]=3 353 B12R1.374 CCCCN1C=C(C)C=CC1=O Amb18404884 [0,0,0,0,0,1|2,0,1]=4 354 B12R1.374 CCCCN1CC(C)NCC1=O Amb28254644 [0,0,0,0,0,1|2,0,1]=4 355 B12R1.374 CCCCc1cc(C)ccc1O Amb27973016 [0,0,0,0,0,1|1,0,2]=4 356 B9R0.5 CCCC#CC(=O)OCC Amb2721493 [1,0,1,0,0,0|0,0,2]=4 357 B9R0.5 CCCCCC(=O)CCC Amb2720457 [1,0,1,0,0,0|1,0,1]=4 358 B9R0.5 CCCCCC(=O)NCC Amb3373540 [1,0,1,0,0,0|1,0,1]=4 359 B9R0.5 CCCCCC(C)CC=O Amb21953169 [1,0,1,0,0,0|1,0,1]=4 360 B9R0.5 CCCCCC(C)NC=O Amb27615073 [1,0,1,0,0,0|1,0,1]=4 361 B9R0.5 CCCCNC(=O)CCC Amb5797594 [1,0,1,0,0,0|2,0,0]=4 362 B9R0.5 CCCCNC(=O)NCC Amb4018863 [1,0,1,0,0,0|2,0,0]=4 363 B9R0.5 CCCCNC(=O)OCC Amb10552892 [1,0,1,0,0,0|1,0,0]=3 364 B9R0.5 CCCCNC(=S)OCC Amb27235690 [1,0,1,0,0,0|1,1,0]=4 365 B9R0.5 CCCCOC(=O)NCC Amb27412996 [1,0,1,0,0,0|2,0,0]=4 366 B9R0.5 CCCCOC(=O)OCCl Amb26509700 [1,0,1,0,0,0|2,0,0]=4 367 B9R0.5 CCCCOC(C)CC=O Amb27838097 [1,0,1,0,0,0|2,0,0]=4 368 B9R0.5 CCCCSC(=O)NCC Amb27462695 [1,0,1,0,0,0|2,0,0]=4 369 B9R0.5 CCCNCC(=O)OCC Amb6714488 [1,0,1,0,0,0|1,0,1]=4 370 B9R0.5 CCC\C=C\C(=O)CCC Amb17593554 [1,0,1,0,0,0|1,0,1]=4 371 B9R0.5 CCC\C=C\C(C)CC=O Amb27615137 [1,0,1,0,0,0|1,0,0]=3 372 B9R0.5 CCC\C=C\C(C)N=C=O Amb33327157 [1,0,1,0,0,0|1,0,1]=4 373 B9R0.5 CCNCCC(=O)OCC Amb9026175 [1,0,1,0,0,0|1,0,1]=4 374 B9R0.5 CCOC(=O)CCCCBr Amb3940221 [1,0,1,0,0,0|1,0,1]=4 375 B9R0.5 CCOC(=O)CCCCI Amb4006406 [1,0,1,0,0,0|1,0,1]=4 376 B9R0.5 CCOC(=O)CCCCN Amb10807401 [1,0,1,0,0,0|1,0,1]=4 377 B9R0.5 CCOC(=O)CCCCN Amb33527726 [1,0,1,0,0,0|1,0,1]=4 378 B9R0.5 CCOC(=O)CCCNC Amb9204023 [1,0,1,0,0,0|1,0,1]=4 379 B9R0.5 CCOC(=O)CCCOC Amb27837737 [1,0,1,0,0,0|1,0,1]=4 380 B9R0.5 CCOC(=O)CCCSC Amb25058939 [1,0,1,0,0,0|1,0,1]=4 381 B9R0.5 CCOC(=O)CCSCC Amb9026307 [1,0,1,0,0,0|1,0,1]=4 382 B9R0.5 CCOC(=O)NCCCF Amb27770329 [1,0,1,0,0,0|2,0,0]=4 383 B9R0.5 CCOC(=O)NCCNC Amb28126929 [1,0,1,0,0,0|2,0,0]=4 384 B9R0.5 CCOC(=O)OCCCBr Amb27231554 [1,0,1,0,0,0|2,0,0]=4 385 B9R0.5 CCOC(=O)OCCCCl Amb27594095 [1,0,1,0,0,0|2,0,0]=4 386 B9R0.5 CCOC(=O)OCCCF Amb24088656 [1,0,1,0,0,0|2,0,0]=4 387 B9R0.5 CCOC(=O)OCCCO Amb28050600 [1,0,1,0,0,0|2,0,0]=4 388 B9R0.5 CCOC(=O)\C=C\CCO Amb26008238 [1,0,1,0,0,0|1,0,1]=4 389 B9R0.5 CCOC(=O)\C=C\CCO Amb33715375 [1,0,1,0,0,0|1,0,1]=4 390 B9R0.5 CCOC(=O)\C=C\CNC Amb27227952 [1,0,1,0,0,0|1,0,1]=4 391 B9R0.5 CCOCCC(=O)OCC Amb6608774 [1,0,1,0,0,0|1,0,1]=4 392 B9R0.5 CCO\C=C\C(=O)OCC Amb2725613 [1,0,1,0,0,0|1,0,1]=4 393 B9R0.5 CCO\C=C\C(C)CC=O Amb25701589 [1,0,1,0,0,0|2,0,0]=4 394 B9R0.5 CCO\N=C\C(=O)OCC Amb27658669 [1,0,1,0,0,0|2,0,0]=4 395 B9R0.45 CCCCCCCOC=O Amb9787223 [1,0,1,0,0,0|0,0,2]=4 396 B9R0.45 CCCC\C=C\CCC=O Amb27966384 [1,0,1,0,0,0|1,0,0]=3 397 B9R0.46 CCCCC=C=C(C)C=O Amb28074739 [1,0,1,0,0,0|0,0,2]=4 398 B9R0.46 CCCCC\C=C(/C)C=O Amb18643629 [1,0,1,0,0,0|0,0,2]=4 399 B9R0.46 CCCCC\C=C(\C)C=O Amb27489308 [1,0,1,0,0,0|0,0,2]=4 400 B9R0.46 CCCCSCC(C)C=O Amb27837938 [1,0,1,0,0,0|1,0,1]=4 401 B9R0.46 CCNC\C=C\C(C)OC Amb28133976 [1,0,1,0,0,0|1,0,1]=4 402 B9R0.2 CCCC\C=C\CC(C)O Amb27839464 [1,0,1,0,0,0|2,0,0]=4 403 B9R0.2 CCCC\C=C\OC(C)=O Amb25293926 [1,0,1,0,0,0|1,0,1]=4 404 B9R0.4 CC(C)OC(=O)CCCCl Amb8393887 [1,0,1,0,0,0|1,0,1]=4 405 B9R0.4 CC(C)OC(=O)CCCF Amb27838923 [1,0,1,0,0,0|1,0,1]=4 406 B9R0.4 CC(C)OC(=O)CCCN Amb33164176 [1,0,1,0,0,0|1,0,1]=4 407 B9R0.4 CC(C)OC(=O)CCCN Amb9493129 [1,0,1,0,0,0|1,0,1]=4 408 B9R0.4 CCCCC(=O)C=C(C)C Amb27664643 [1,0,1,0,0,0|1,0,1]=4 409 B9R0.4 CCCCC(=O)CC(C)Cl Amb27984861 [1,0,1,0,0,0|1,0,1]=4 410 B9R0.4 CCCCC(=O)OC(C)=O Amb34916560 [1,0,1,0,0,0|1,0,1]=4 411 B9R0.4 CCCCC(=O)OC(C)C Amb22733766 [1,0,1,0,0,0|0,0,1]=3 412 B9R0.4 CCCC\C(C)=C\C(C)O Amb27977773 [1,0,1,0,0,0|0,0,1]=3 413 B9R0.4 CCCC\C(C)=C\[C@H](C)O Amb27766553 [1,0,1,0,0,0|0,0,1]=3 414 B9R0.4 CCCNC(=O)OC(C)C Amb27468393 [1,0,1,0,0,0|1,0,1]=4 415 B9R0.4 CCCOC(=O)OC(C)Cl Amb25798803 [1,0,1,0,0,0|2,0,0]=4 416 B9R0.4 CC\C=C\C(=O)OC(C)C Amb28205117 [1,0,1,0,0,0|0,0,2]=4 417 B9R0.8 C=C(CCC=O)C(=O)OC Amb28368319 [1,0,1,0,0,0|1,0,1]=4 418 B9R0.8 C=C(CCCC)[C@@H](O)CC Amb28138626 [1,0,1,0,0,0|0,0,2]=4 419 B9R0.8 C=C(COCC)C(=O)CN Amb27244254 [1,0,1,0,0,0|2,0,0]=4 420 B9R0.8 C=C(COCC)C(=O)OC Amb27228285 [1,0,1,0,0,0|1,0,0]=3 421 B9R0.8 C=C(CSCC)C(=O)OC Amb28050304 [1,0,1,0,0,0|1,0,0]=3 422 B9R0.8 CCC(=O)C(=O)CCCO Amb27618249 [1,0,1,0,0,0|2,0,0]=4 423 B9R0.8 CCCCC(=O)C(=O)OC Amb22755702 [1,0,1,0,0,0|1,0,0]=3 424 B9R0.8 CCCCC(Br)C(=O)OC Amb19514695 [1,0,1,0,0,0|1,0,1]=4 425 B9R0.8 CCCCC(C)C(=O)CC Amb25359211 [1,0,1,0,0,0|0,0,2]=4 426 B9R0.8 CCCCC(Cl)C(=O)CC Amb28322143 [1,0,1,0,0,0|1,0,1]=4 427 B9R0.8 CCCCC(F)C(=O)CC Amb27212037 [1,0,1,0,0,0|1,0,1]=4 428 B9R0.8 CCCCC(N)C(=O)OC Amb9330294 [1,0,1,0,0,0|1,0,1]=4 429 B9R0.8 CCCCC(N)C(=O)OC Amb9825492 [1,0,1,0,0,0|1,0,1]=4 430 B9R0.8 CCCCC(S)C(=O)OC Amb24745120 [1,0,1,0,0,0|1,0,1]=4 431 B9R0.8 CCCCN(N)C(=O)CC Amb33191485 [1,0,1,0,0,0|2,0,0]=4 432 B9R0.8 CCCCN(N)C(=O)OC Amb33191487 [1,0,1,0,0,0|2,0,0]=4 433 B9R0.8 CCCC[C@@H](C)C(=O)OC Amb27172534 [1,0,1,0,0,0|0,0,2]=4 434 B9R0.8 CCCC[C@@H](N)C(=O)OC Amb16183949 [1,0,1,0,0,0|1,0,1]=4 435 B9R0.8 CCCC[C@@H](N)C(=O)OC Amb22745342 [1,0,1,0,0,0|1,0,1]=4 436 B9R0.8 CCCC[C@H](Cl)C(=O)OC Amb27823590 [1,0,1,0,0,0|1,0,1]=4 437 B9R0.8 CCCC[C@H](N)C(=O)OC Amb22169631 [1,0,1,0,0,0|1,0,1]=4 438 B9R0.8 CCCC[C@H](N)C(=O)OC Amb26391986 [1,0,1,0,0,0|1,0,1]=4 439 B9R0.8 CCCC[C@H](O)C(=O)OC Amb27589932 [1,0,1,0,0,0|1,0,1]=4 440 B9R0.8 CCC\C=C(\C)C(=O)CC Amb27854893 [1,0,1,0,0,0|0,0,2]=4 441 B9R0.8 COC(=O)C(=O)CCCBr Amb24440505 [1,0,1,0,0,0|2,0,0]=4 442 B9R0.8 COC(=O)C(=O)CCCCl Amb28287936 [1,0,1,0,0,0|2,0,0]=4 443 B9R0.18 C=C(CCCC)CCCC Amb22641581 [1,0,1,0,0,0|1,0,1]=4 444 B9R0.18 C=C(CNCC)COCC Amb27477183 [1,0,1,0,0,0|1,0,1]=4 445 B9R0.18 CCCCC(=O)COCC Amb26504310 [1,0,1,0,0,0|1,0,1]=4 446 B9R0.18 CCCCC(=O)NOCC Amb10572674 [1,0,1,0,0,0|2,0,0]=4 447 B9R0.18 CCCC\C(C)=N\OCC Amb27649093 [1,0,1,0,0,0|1,0,1]=4 448 B9R0.18 CC\C=C\C(=O)CCCC Amb25219828 [1,0,1,0,0,0|2,0,0]=4 449 B9R0.35 C#CCC(=C)C(=O)OCC Amb23585044 [1,0,1,0,0,0|0,0,2]=4 450 B9R0.35 C=C(CCC)C(=O)OCC Amb22360691 [1,0,1,0,0,0|0,0,0]=2 451 B9R0.35 C=C(COC)C(=O)OCC Amb27398585 [1,0,1,0,0,0|1,0,0]=3 452 B9R0.35 C=C(OCC)C(=O)OCC Amb22230635 [1,0,1,0,0,0|1,0,0]=3 453 B9R0.35 C=CCC(=C)C(=O)OCC Amb27636063 [1,0,1,0,0,0|0,0,2]=4 454 B9R0.35 CCCC(=O)C(=O)CCC Amb22732205 [1,0,1,0,0,0|2,0,0]=4 455 B9R0.35 CCCC(=O)C(=O)OCC Amb8385983 [1,0,1,0,0,0|1,0,0]=3 456 B9R0.35 CCCC(Br)C(=O)OCC Amb3939966 [1,0,1,0,0,0|1,0,1]=4 457 B9R0.35 CCCC(C)C(=O)OCC Amb9273976 [1,0,1,0,0,0|0,0,2]=4 458 B9R0.35 CCCC(Cl)C(=O)OCC Amb18800860 [1,0,1,0,0,0|1,0,1]=4 459 B9R0.35 CCCC(N)C(=O)OCC Amb9494880 [1,0,1,0,0,0|1,0,1]=4 460 B9R0.35 CCCC(O)C(=O)OCC Amb22350176 [1,0,1,0,0,0|1,0,1]=4 461 B9R0.35 CCCN(C)C(=O)OCC Amb27823566 [1,0,1,0,0,0|1,0,1]=4 462 B9R0.35 CCCN(N)C(=O)OCC Amb18644276 [1,0,1,0,0,0|2,0,0]=4 463 B9R0.35 CCCN(O)C(=O)OCC Amb27475141 [1,0,1,0,0,0|2,0,0]=4 464 B9R0.35 CCC[C@@H](N)C(=O)OCC Amb8385904 [1,0,1,0,0,0|1,0,1]=4 465 B9R0.35 CCC[C@H](N)C(=O)OCC Amb16233901 [1,0,1,0,0,0|1,0,1]=4 466 B9R0.35 CCC[C@H](N)C(=O)OCC Amb22747761 [1,0,1,0,0,0|1,0,1]=4 467 B9R0.35 CCC[C@H](O)C(=O)OCC Amb27750209 [1,0,1,0,0,0|1,0,1]=4 468 B9R0.35 CCNC(=O)C(=O)OCC Amb3886590 [1,0,1,0,0,0|2,0,0]=4 469 B9R0.35 CCOC(=N)C(=O)OCC Amb20670112 [1,0,1,0,0,0|2,0,0]=4 470 B9R0.35 CCOC(=O)C(=O)COC Amb27779913 [1,0,1,0,0,0|2,0,0]=4 471 B9R0.35 CCOC(=O)C(=O)OCC Amb2793099 [1,0,1,0,0,0|2,0,0]=4 472 B9R0.35 CC\C=C(/C)C(=O)OCC Amb26366279 [1,0,1,0,0,0|0,0,2]=4 473 B9R0.35 CC\C=C(/F)C(=O)OCC Amb27467733 [1,0,1,0,0,0|1,0,1]=4 474 B9R0.14 CCC\C(C=O)=C\N(C)C Amb27615114 [1,0,1,0,0,0|2,0,0]=4 475 B9R0.40 CCCCC(C=O)CCC Amb27237029 [1,0,1,0,0,0|0,0,2]=4 476 B9R0.40 CCCCC(C=O)OCC Amb27261094 [1,0,1,0,0,0|1,0,1]=4 477 B9R0.40 CCCCN(C=O)CCO Amb26609531 [1,0,1,0,0,0|1,0,1]=4 478 B9R0.40 CCCC\C(=C\CO)CO Amb27761569 [1,0,1,0,0,0|0,0,2]=4 479 B9R0.40 CCCC\C(C=O)=C\OC Amb27841072 [1,0,1,0,0,0|1,0,0]=3 480 B9R0.40 CC\C=C(/C=O)CCCC Amb27966532 [1,0,1,0,0,0|0,0,0]=2 481 B9R0.40 CC\C=C(\C=O)CCCO Amb28399203 [1,0,1,0,0,0|1,0,0]=3 482 B9R0.40 C\C=C(/CCO)CCCC Amb27839280 [1,0,1,0,0,0|1,0,1]=4 483 B9R0.13 C=C=C(CCCC)C(=O)O Amb27489813 [1,0,1,0,0,0|0,0,2]=4 484 B9R0.13 C=CC(CCCC)C(=O)O Amb27759693 [1,0,1,0,0,0|0,0,2]=4 485 B9R0.13 C=C[C@@H](CCCC)C(=O)O Amb28050245 [1,0,1,0,0,0|0,0,2]=4 486 B9R0.13 C=C[C@H](CCCC)C(=O)O Amb27838910 [1,0,1,0,0,0|0,0,2]=4 487 B9R0.13 C=C\C(=C\CCC)C(=O)O Amb27778746 [1,0,1,0,0,0|0,0,2]=4 488 B9R0.13 CCC(CCOC)C(=O)O Amb25289946 [1,0,1,0,0,0|1,0,1]=4 489 B9R0.13 CCC(CCSC)C(=O)O Amb24373794 [1,0,1,0,0,0|1,0,1]=4 490 B9R0.13 CCCCC(CBr)C(=O)O Amb27799965 [1,0,1,0,0,0|1,0,1]=4 491 B9R0.13 CCCCC(CC)=C(C)C Amb25839850 [1,0,1,0,0,0|2,0,0]=4 492 B9R0.13 CCCCC(CC)C(=O)Cl Amb3939067 [1,0,1,0,0,0|1,0,1]=4 493 B9R0.13 CCCCC(CC)C(=O)O Amb3939821 [1,0,1,0,0,0|0,0,1]=3 494 B9R0.13 CCCCC(CC)C(=O)[O-] Amb22043361 [1,0,1,0,0,0|0,0,2]=4 495 B9R0.13 CCCCC(CC)C(=O)[O-] Amb22053863 [1,0,1,0,0,0|0,0,2]=4 496 B9R0.13 CCCCC(CC)C(=O)[O-] Amb8387188 [1,0,1,0,0,0|0,0,2]=4 497 B9R0.13 CCCCC(CC)C(=O)[O-] Amb8387190 [1,0,1,0,0,0|0,0,2]=4 498 B9R0.13 CCCCC(CC)C(=O)[O-] Amb8515519 [1,0,1,0,0,0|0,0,2]=4 499 B9R0.13 CCCCC(CC)C(=O)[O-] Amb8516528 [1,0,1,0,0,0|0,0,2]=4 500 B9R0.13 CCCCC(CC)C(N)=O Amb3886579 [1,0,1,0,0,0|1,0,1]=4 501 B9R0.13 CCCCC(CN)C(=O)O Amb26978768 [1,0,1,0,0,0|1,0,1]=4 502 B9R0.13 CCCCC(CO)C(=O)O Amb27834958 [1,0,1,0,0,0|1,0,1]=4 503 B9R0.13 CCCCC(NC)C(=O)O Amb24116642 [1,0,1,0,0,0|1,0,1]=4 504 B9R0.13 CCCCC(OC)C(=O)O Amb25889001 [1,0,1,0,0,0|1,0,1]=4 505 B9R0.13 CCCCN(CC)C(=O)Cl Amb17563080 [1,0,1,0,0,0|2,0,0]=4 506 B9R0.13 CCCCN(CC)C(N)=O Amb6246594 [1,0,1,0,0,0|2,0,0]=4 507 B9R0.13 CCCC[C@@H](CC)C(=O)O Amb28398235 [1,0,1,0,0,0|0,0,1]=3 508 B9R0.13 CCCC[C@@H](CC)C(C)=O Amb27973070 [1,0,1,0,0,0|1,0,1]=4 509 B9R0.13 CCCC[C@@H](CN)C(=O)O Amb27812140 [1,0,1,0,0,0|1,0,1]=4 510 B9R0.13 CCCC[C@@H](NC)C(=O)O Amb22799980 [1,0,1,0,0,0|1,0,1]=4 511 B9R0.13 CCCC[C@H](CC)C(=O)O Amb24671282 [1,0,1,0,0,0|0,0,1]=3 512 B9R0.13 CCCC[C@H](CO)C(=O)O Amb16232529 [1,0,1,0,0,0|1,0,1]=4 513 B9R0.13 CCCC[C@H](NC)C(=O)O Amb25887554 [1,0,1,0,0,0|1,0,1]=4 514 B9R0.13 CCCC\C(=N/O)C(=O)O Amb28347572 [1,0,1,0,0,0|2,0,0]=4 515 B9R0.13 CCCOC(CC)C(=O)O Amb9675479 [1,0,1,0,0,0|1,0,1]=4 516 B9R0.13 CCCSC(CC)C(=O)O Amb9675504 [1,0,1,0,0,0|1,0,1]=4 517 B9R0.13 CCC\C=C(/CC)C(=O)O Amb25228438 [1,0,1,0,0,0|0,0,1]=3 518 B9R0.13 CCC\C=C(/CC)C(C)=O Amb4017066 [1,0,1,0,0,0|1,0,1]=4 519 B9R0.13 CCC\C=C(\CC)C(C)=O Amb25926099 [1,0,1,0,0,0|1,0,1]=4 520 B9R0.13 CCO\N=C(/CC)C(=O)O Amb28340916 [1,0,1,0,0,0|2,0,0]=4 521 B9R0.13 CCSCC(CC)C(=O)O Amb24482439 [1,0,1,0,0,0|1,0,1]=4 522 B9R0.15 C=C\C=C(/CCC)C(=O)O Amb17619615 [1,0,1,0,0,0|0,0,2]=4 523 B9R0.15 CCCC(CCC)C(=O)O Amb3940097 [1,0,1,0,0,0|0,0,2]=4 524 B9R0.15 CCCC(NCC)C(=O)O Amb9496319 [1,0,1,0,0,0|1,0,1]=4 525 B9R0.15 CCCC(OCC)C(=O)O Amb28050125 [1,0,1,0,0,0|1,0,1]=4 526 B9R0.15 CCC[C@@H](NCC)C(=O)O Amb33347491 [1,0,1,0,0,0|1,0,1]=4 527 B9R0.15 CCC[C@H](NCC)C(=O)O Amb33347483 [1,0,1,0,0,0|1,0,1]=4 528 B9R0.15 CC\C=C(/CCC)C(=O)O Amb27961497 [1,0,1,0,0,0|0,0,0]=2 529 B9R0.15 CC\C=C(/CCC)C(C)=O Amb27802632 [1,0,1,0,0,0|1,0,0]=3 530 B9R0.15 CC\C=C(/CCO)C(=O)O Amb27832032 [1,0,1,0,0,0|1,0,0]=3 531 B9R0.15 CC\C=C(/CCO)C(C)=O Amb28145901 [1,0,1,0,0,0|2,0,0]=4 532 B9R0.15 CC\C=C(\OCC)C(=O)O Amb27254120 [1,0,1,0,0,0|1,0,0]=3 533 B9R0.15 C\C=C\C(CCC)C(=O)O Amb18643916 [1,0,1,0,0,0|0,0,2]=4 534 B9R1.7 CCCc1coc(C)c1 Amb27463564 [2,0,0,0,0,0|0,0,1]=3 535 B9R1.7 CCCc1coc(C)n1 Amb27959033 [2,0,0,0,0,0|1,0,1]=4 536 B9R1.7 Cc1cc(CCO)co1 Amb25058458 [2,0,0,0,0,0|1,0,1]=4 537 B9R1.12 BrCCCc1ccoc1 Amb24593084 [2,0,0,0,0,0|1,0,1]=4 538 B9R1.12 BrCCCc1cnoc1 Amb18327732 [2,0,0,0,0,0|2,0,0]=4 539 B9R1.12 CCCCC1=CCCC1 Amb22227915 [2,0,0,0,0,0|1,0,1]=4 540 B9R1.12 CCCCc1ccsc1 Amb17779303 [2,0,0,0,0,0|0,1,1]=4 541 B9R1.12 CCNCC1=COCC1 Amb28073542 [2,0,0,0,0,0|1,0,1]=4 542 B9R1.12 CCNCc1ccoc1 Amb33552859 [2,0,0,0,0,0|1,0,1]=4 543 B9R1.12 CCSCc1cnoc1 Amb28366089 [2,0,0,0,0,0|2,0,0]=4 544 B9R1.12 CNCCc1ccoc1 Amb25682417 [2,0,0,0,0,0|1,0,1]=4 545 B9R1.12 ClCCCc1ccoc1 Amb25720433 [2,0,0,0,0,0|1,0,1]=4 546 B9R1.12 ClCCCc1cnoc1 Amb27877269 [2,0,0,0,0,0|2,0,0]=4 547 B9R1.12 ICCCc1cnoc1 Amb27648224 [2,0,0,0,0,0|2,0,0]=4 548 B9R1.12 NCCCc1ccoc1 Amb25789662 [2,0,0,0,0,0|1,0,1]=4 549 B9R1.12 NCCCc1cnoc1 Amb29083289 [2,0,0,0,0,0|2,0,0]=4 550 B9R1.12 NCCCc1cnoc1 Amb31157056 [2,0,0,0,0,0|2,0,0]=4 551 B9R1.12 NCCCc1cnoc1 Amb8010161 [2,0,0,0,0,0|2,0,0]=4 552 B9R1.12 OCCCc1ccoc1 Amb26505336 [2,0,0,0,0,0|1,0,1]=4 553 B9R1.12 OCCCc1cnoc1 Amb3941163 [2,0,0,0,0,0|2,0,0]=4 554 B9R1.12 SCCCc1ccoc1 Amb33360329 [2,0,0,0,0,0|1,0,1]=4 555 B9R1.33 C=CCC1=CCOC1=O Amb27420914 [2,0,0,0,0,0|0,0,2]=4 556 B9R1.33 CCCc1cnoc1N Amb25231405 [2,0,0,0,0,0|2,0,0]=4 557 B9R1.33 CCOC1=CCCC1=O Amb27256367 [2,0,0,0,0,0|2,0,0]=4 558 B9R1.33 CCSC1=CCCC1=O Amb27861411 [2,0,0,0,0,0|2,0,0]=4 559 B9R1.33 CC\C=C1\CCOC1=O Amb25225082 [2,0,0,0,0,0|0,0,2]=4 560 B9R1.22 CCC1=CC(=O)OC1=O Amb28285157 [2,0,0,0,0,0|1,0,1]=4 561 B9R1.22 CCC1=CC(C)CC1=O Amb28285166 [2,0,0,0,0,0|1,0,0]=3 562 B9R1.22 CCC1=CC(O)CC1=O Amb27954205 [2,0,0,0,0,0|2,0,0]=4 563 B9R1.22 CCC1=CC(O)OC1=O Amb32655005 [2,0,0,0,0,0|1,0,0]=3 564 B9R1.22 COC1=CC(C)NC1=O Amb28040873 [2,0,0,0,0,0|2,0,0]=4 565 B11R0.2 CCCCCCC(C)OC(=O)Cl Amb24061311 [0,1,1,0,0,0|0,0,2]=4 566 B11R0.68 CCCCN(N)C(=O)OC(C)C Amb33191488 [0,1,1,0,0,0|1,0,1]=4 567 B11R0.11 CCCCN(N)C(=O)COCC Amb33191499 [0,1,1,0,0,0|2,0,0]=4 568 B11R0.11 CCCCN(N)C(=O)OCCC Amb33191489 [0,1,1,0,0,0|2,0,0]=4 569 B11R0.11 CCCOC(=O)C(=O)OCCC Amb9787231 [0,1,1,0,0,0|2,0,0]=4 570 B11R0.43 CCOC(=O)C(=O)CC(=O)CC Amb1106404 [0,1,1,0,0,0|1,0,1]=4 571 B11R0.43 CCOC(=O)C(N)CC(C)CC Amb18790110 [0,1,1,0,0,0|1,0,1]=4 572 B11R0.43 CCOC(=O)C(N)CC(O)CC Amb32941152 [0,1,1,0,0,0|1,0,1]=4 573 B11R0.59 CCOC(=O)C(=O)NCC(C)C Amb3886736 [0,1,1,0,0,0|2,0,0]=4 574 B11R0.59 CCOC(=O)C(N)CCC(C)C Amb33042690 [0,1,1,0,0,0|1,0,1]=4 575 B11R0.59 CCOC(=O)C(N)CCC(C)O Amb33036585 [0,1,1,0,0,0|1,0,1]=4 576 B11R0.59 CCOC(=O)[C@H](N)CCC(C)C Amb33802691 [0,1,1,0,0,0|1,0,1]=4 577 B11R0.177 C=C(C(=O)OCC)C(=O)OCC Amb15693458 [0,1,1,0,0,0|1,0,1]=4 578 B11R0.177 CCCC(C)C(N)C(=O)OCC Amb18790097 [0,1,1,0,0,0|1,0,1]=4 579 B11R0.177 CCCC(N)C(O)C(=O)OCC Amb32660974 [0,1,1,0,0,0|1,0,1]=4 580 B11R0.177 CCCC(N)C(O)C(=O)OCC Amb32661095 [0,1,1,0,0,0|1,0,1]=4 581 B11R0.177 CCC[C@H](N)C(O)C(=O)OCC Amb32729333 [0,1,1,0,0,0|1,0,1]=4 582 B11R0.191 CCCCC(CC)C(=O)OCC Amb9339887 [0,1,1,0,0,0|0,0,2]=4 583 B11R0.191 CCC\C=C(/C#N)C(=O)OCC Amb32674846 [0,1,1,0,0,0|0,0,2]=4 584 B11R0.191 CCOC(=O)C(C=O)CCOC Amb32422919 [0,1,1,0,0,0|1,0,1]=4 585 B11R0.247 CCCCC(F)(F)C(=O)OCC Amb15692354 [0,1,1,0,0,0|1,0,1]=4 586 B11R0.160 CCCCN(CC(C)O)C(C)=O Amb18265600 [0,1,1,0,0,0|1,0,1]=4 587 B11R0.78 CCCC(CCCCN)C(=O)O Amb28653062 [0,1,1,0,0,0|0,0,2]=4 588 B11R0.78 CCCC(CCCCN)C(=O)O Amb8506428 [0,1,1,0,0,0|0,0,2]=4 589 B11R0.78 CCCCCC(CCC)C(=O)O Amb18794407 [0,1,1,0,0,0|0,0,2]=4 590 B11R1.15 CCCC(N)c1ccn(C)c1 Amb28385235 [1,1,0,0,0,0|2,0,0]=4 591 B11R1.15 CCCC(N)c1cnn(C)c1 Amb9208080 [1,1,0,0,0,0|2,0,0]=4 592 B11R1.15 CCCC(N)c1coc(Br)c1 Amb28351192 [1,1,0,0,0,0|1,0,1]=4 593 B11R1.15 CCCC(O)c1ccn(C)c1 Amb24407381 [1,1,0,0,0,0|2,0,0]=4 594 B11R1.15 CCCC(O)c1csc(C)c1 Amb28041586 [1,1,0,0,0,0|0,1,1]=4 595 B11R1.15 CCC[C@@H](N)c1coc(C)n1 Amb27217171 [1,1,0,0,0,0|1,0,1]=4 596 B11R1.15 CCC[C@@H](O)c1coc(C)n1 Amb27760124 [1,1,0,0,0,0|1,0,1]=4 597 B11R1.15 CCC[C@H](N)c1csc(C)c1 Amb27596826 [1,1,0,0,0,0|0,1,1]=4 598 B11R1.15 CCC[C@H](O)c1coc(C)n1 Amb27831685 [1,1,0,0,0,0|1,0,1]=4 599 B11R1.15 CCNC(C)c1coc(C)c1 Amb28054229 [1,1,0,0,0,0|1,0,1]=4 600 B11R1.15 Cc1cc(C(N)CCO)co1 Amb28250995 [1,1,0,0,0,0|1,0,1]=4 601 B11R1.15 Cc1cc([C@H](N)CCO)co1 Amb27654035 [1,1,0,0,0,0|1,0,1]=4 602 B11R1.27 CCCCNc1cnn(C)c1 Amb31214233 [1,1,0,0,0,0|2,0,0]=4 603 B11R1.27 CCCCNc1coc(C)c1 Amb27484053 [1,1,0,0,0,0|0,0,1]=3 604 B11R1.27 CCCCOc1coc(C)n1 Amb27269529 [1,1,0,0,0,0|1,0,1]=4 605 B11R1.27 CCCNCc1cc(C)on1 Amb18182914 [1,1,0,0,0,0|1,0,1]=4 606 B11R1.27 CCCNCc1ccn(C)c1 Amb18563451 [1,1,0,0,0,0|2,0,0]=4 607 B11R1.27 CCCNCc1cnn(C)c1 Amb31210177 [1,1,0,0,0,0|2,0,0]=4 608 B11R1.27 CCCNCc1cnn(C)c1 Amb6715952 [1,1,0,0,0,0|2,0,0]=4 609 B11R1.27 CCCNCc1coc(Br)c1 Amb28387930 [1,1,0,0,0,0|1,0,1]=4 610 B11R1.27 CCCNCc1coc(C)n1 Amb27987907 [1,1,0,0,0,0|1,0,1]=4 611 B11R1.27 CCCNCc1csc(C)c1 Amb27987619 [1,1,0,0,0,0|0,1,1]=4 612 B11R1.27 CCCSCc1cc(C)on1 Amb28352100 [1,1,0,0,0,0|1,0,1]=4 613 B11R1.27 CCNCCc1ccn(C)c1 Amb18893414 [1,1,0,0,0,0|2,0,0]=4 614 B11R1.27 CCNCCc1cnn(C)c1 Amb18312581 [1,1,0,0,0,0|2,0,0]=4 615 B11R1.27 CCSCCc1cnn(C)c1 Amb27988881 [1,1,0,0,0,0|2,0,0]=4 616 B11R1.27 CNCCCc1ccn(C)c1 Amb18065374 [1,1,0,0,0,0|2,0,0]=4 617 B11R1.27 CNCCCc1cnn(C)c1 Amb15701216 [1,1,0,0,0,0|2,0,0]=4 618 B11R1.27 CNCCCc1coc(Br)c1 Amb28387918 [1,1,0,0,0,0|1,0,1]=4 619 B11R1.27 CNCCCc1csc(C)c1 Amb28386756 [1,1,0,0,0,0|0,1,1]=4 620 B11R1.27 Cc1cc(CCCCBr)cs1 Amb27986493 [1,1,0,0,0,0|0,1,1]=4 621 B11R1.27 Cc1cc(CCCCCl)cs1 Amb27986491 [1,1,0,0,0,0|0,1,1]=4 622 B11R1.27 Cc1cc(CCCCN)cs1 Amb27986489 [1,1,0,0,0,0|0,1,1]=4 623 B11R1.27 Cc1cc(CCCCN)no1 Amb18200713 [1,1,0,0,0,0|1,0,1]=4 624 B11R1.27 Cc1cc(CCCCO)cs1 Amb27986488 [1,1,0,0,0,0|0,1,1]=4 625 B11R1.27 Cn1cc(CCCCBr)cn1 Amb27987856 [1,1,0,0,0,0|2,0,0]=4 626 B11R1.27 Cn1cc(CCCCCl)cn1 Amb26076988 [1,1,0,0,0,0|2,0,0]=4 627 B11R1.27 Cn1cc(CCCCN)cn1 Amb18831077 [1,1,0,0,0,0|2,0,0]=4 628 B11R1.27 Cn1cc(CCCCO)cn1 Amb24750758 [1,1,0,0,0,0|2,0,0]=4 629 B11R1.27 Cn1ccc(CCCCN)c1 Amb18065379 [1,1,0,0,0,0|2,0,0]=4 630 B11R1.27 Cn1ccc(CCCCO)c1 Amb18862497 [1,1,0,0,0,0|2,0,0]=4 631 B11R1.27 Cn1ccc(CCCCS)c1 Amb18563917 [1,1,0,0,0,0|2,0,0]=4 632 B11R1.27 NCCCCc1coc(Br)c1 Amb28387922 [1,1,0,0,0,0|1,0,1]=4 633 B11R1.27 OCCCCc1coc(Br)c1 Amb27674011 [1,1,0,0,0,0|1,0,1]=4 634 B11R1.39 CCC(Cl)Cc1cnn(C)c1 Amb27425164 [1,1,0,0,0,0|2,0,0]=4 635 B11R1.39 CCC(Cl)Cc1csc(C)c1 Amb27452917 [1,1,0,0,0,0|0,1,1]=4 636 B11R1.39 CCC(N)Cc1ccn(C)c1 Amb27392912 [1,1,0,0,0,0|2,0,0]=4 637 B11R1.39 CCC(N)Cc1coc(Br)c1 Amb27768451 [1,1,0,0,0,0|1,0,1]=4 638 B11R1.39 CCC(O)Cc1cnn(C)c1 Amb18179540 [1,1,0,0,0,0|2,0,0]=4 639 B11R1.39 CCC(O)Cc1csc(C)c1 Amb28367109 [1,1,0,0,0,0|0,1,1]=4 640 B11R1.75 CC(Br)CCc1cnn(C)c1 Amb27617381 [1,1,0,0,0,0|2,0,0]=4 641 B11R1.75 CC(N)CCc1ccn(C)c1 Amb18862490 [1,1,0,0,0,0|2,0,0]=4 642 B11R1.75 CC(N)CCc1cnn(C)c1 Amb18295613 [1,1,0,0,0,0|2,0,0]=4 643 B11R1.75 CC(O)CCc1cnn(C)c1 Amb18179542 [1,1,0,0,0,0|2,0,0]=4 644 B11R1.75 C[C@@H](N)CCc1cnn(C)c1 Amb33360749 [1,1,0,0,0,0|2,0,0]=4 645 B11R1.75 C[C@@H](O)CCc1cnn(C)c1 Amb33360750 [1,1,0,0,0,0|2,0,0]=4 646 B11R1.75 C[C@H](N)CCc1cnn(C)c1 Amb33360748 [1,1,0,0,0,0|2,0,0]=4 647 B11R1.75 C[C@H](O)CCc1cnn(C)c1 Amb33360752 [1,1,0,0,0,0|2,0,0]=4 648 B11R1.75 Cc1cc(CCC(C)N)cs1 Amb27195942 [1,1,0,0,0,0|0,1,1]=4 649 B11R1.75 Cc1cc(CCC(C)N)no1 Amb33316729 [1,1,0,0,0,0|1,0,1]=4 650 B11R1.75 Cc1cc(CCC(C)O)no1 Amb33316728 [1,1,0,0,0,0|1,0,1]=4 651 B11R1.75 Cc1cc(CC[C@@H](C)N)no1 Amb33316723 [1,1,0,0,0,0|1,0,1]=4 652 B11R1.75 Cc1cc(CC[C@@H](C)O)no1 Amb33316725 [1,1,0,0,0,0|1,0,1]=4 653 B11R1.75 Cc1cc(CC[C@H](C)N)no1 Amb33316722 [1,1,0,0,0,0|1,0,1]=4 654 B11R1.75 Cc1cc(CC[C@H](C)O)no1 Amb33316727 [1,1,0,0,0,0|1,0,1]=4 655 B11R1.212 CCCCC1=CCC(C)C1=O Amb24467095 [1,1,0,0,0,0|1,0,0]=3 656 B11R1.214 CCCCC1=NOC(CCl)C1 Amb27672869 [1,1,0,0,0,0|1,0,1]=4 657 B11R1.214 CCCCc1cc(CBr)on1 Amb27672870 [1,1,0,0,0,0|1,0,1]=4 658 B11R1.214 CCCCc1cc(CO)on1 Amb27272550 [1,1,0,0,0,0|1,0,1]=4 659 B11R1.214 CCCCc1coc(C=O)c1 Amb25383224 [1,1,0,0,0,0|0,0,2]=4 660 B11R1.214 CCc1cc(CCCO)co1 Amb27989759 [1,1,0,0,0,0|1,0,1]=4 661 B11R1.18 CCCCc1ccoc1C#N Amb33188879 [1,1,0,0,0,0|1,0,1]=4 662 B11R1.18 CCCCc1ccoc1C=O Amb24762937 [1,1,0,0,0,0|0,0,1]=3 663 B11R1.18 CCCCc1ccoc1CN Amb27671496 [1,1,0,0,0,0|1,0,1]=4 664 B11R1.90 CC(O)CCN1CCOC1=O Amb18800085 [1,1,0,0,0,0|1,0,1]=4 665 B11R1.90 Cc1occc1CCC(C)Cl Amb28313319 [1,1,0,0,0,0|1,0,1]=4 666 B11R1.90 Cc1occc1CCC(C)N Amb25773092 [1,1,0,0,0,0|1,0,1]=4 667 B11R1.90 Cc1occc1CCC(C)O Amb27407358 [1,1,0,0,0,0|1,0,1]=4 668 B11R1.90 Cc1occc1CC[C@@H](C)N Amb33274784 [1,1,0,0,0,0|1,0,1]=4 669 B11R1.90 Cc1occc1CC[C@@H](C)O Amb33225865 [1,1,0,0,0,0|1,0,1]=4 670 B11R1.90 Cc1occc1CC[C@H](C)N Amb33274783 [1,1,0,0,0,0|1,0,1]=4 671 B11R1.90 Cc1occc1CC[C@H](C)O Amb33274785 [1,1,0,0,0,0|1,0,1]=4 672 B11R1.90 Cc1oncc1CCC(C)N Amb33224930 [1,1,0,0,0,0|2,0,0]=4 673 B11R1.90 Cc1oncc1CCC(C)O Amb33362394 [1,1,0,0,0,0|2,0,0]=4 674 B11R1.90 Cc1oncc1CC[C@@H](C)N Amb33361426 [1,1,0,0,0,0|2,0,0]=4 675 B11R1.90 Cc1oncc1CC[C@@H](C)O Amb33361923 [1,1,0,0,0,0|2,0,0]=4 676 B11R1.90 Cc1oncc1CC[C@H](C)N Amb33361425 [1,1,0,0,0,0|2,0,0]=4 677 B11R1.90 Cc1oncc1CC[C@H](C)O Amb33361924 [1,1,0,0,0,0|2,0,0]=4 678 B11R1.90 O=C(O)CCC1=CCOC1=O Amb27596612 [1,1,0,0,0,0|1,0,1]=4 679 B11R1.180 C=CCCCC1=CCCC1=O Amb27672596 [1,1,0,0,0,0|1,0,1]=4 680 B11R1.180 CCC#CCC1=CCCC1=O Amb27861217 [1,1,0,0,0,0|1,0,1]=4 681 B11R1.180 CCCCCC1=CCCC1=O Amb533108 [1,1,0,0,0,0|1,0,0]=3 682 B11R1.180 CCCCCC1=COCC1=O Amb27672330 [1,1,0,0,0,0|2,0,0]=4 683 B11R1.180 CCCC\C=C1\CCCC1=O Amb533060 [1,1,0,0,0,0|1,0,1]=4 684 B11R1.180 CCCC\C=C1\CCOC1=O Amb25947841 [1,1,0,0,0,0|0,0,1]=3 685 B11R1.180 CCCNCc1ccoc1Br Amb27671507 [1,1,0,0,0,0|1,0,1]=4 686 B11R1.180 CCCNCc1ccoc1C Amb8853754 [1,1,0,0,0,0|1,0,1]=4 687 B11R1.180 CCNCCN1CCOC1=O Amb19026699 [1,1,0,0,0,0|1,0,1]=4 688 B11R1.180 CCNCCc1ccoc1C Amb27989304 [1,1,0,0,0,0|1,0,1]=4 689 B11R1.180 CC\C=C/CC1=CCCC1=O Amb25767724 [1,1,0,0,0,0|1,0,1]=4 690 B11R1.180 Cc1occc1CCCCN Amb33274352 [1,1,0,0,0,0|1,0,1]=4 691 B11R1.180 Cc1oncc1CCCCN Amb18200711 [1,1,0,0,0,0|2,0,0]=4 692 B11R1.180 O=C1CCC=C1CCCCBr Amb27673332 [1,1,0,0,0,0|1,0,0]=3 693 B11R1.180 O=C1CCC=C1CCCCCl Amb27989998 [1,1,0,0,0,0|1,0,0]=3 694 B11R1.180 O=C1OCCC1CCCCO Amb27989920 [1,1,0,0,0,0|0,0,2]=4 695 B11R1.180 O=C1OCCN1CCCCBr Amb8855382 [1,1,0,0,0,0|1,0,1]=4 696 B11R1.180 O=C1OCCN1CCCCCl Amb18804714 [1,1,0,0,0,0|1,0,1]=4 697 B11R1.199 CCCC(N)c1ccoc1C Amb18831091 [1,1,0,0,0,0|1,0,1]=4 698 B11R1.199 CCCC(O)C1=CCCC1=O Amb27823645 [1,1,0,0,0,0|1,0,0]=3 699 B11R1.199 CCC[C@@H](N)c1ccoc1C Amb27174607 [1,1,0,0,0,0|1,0,1]=4 700 B11R1.199 CCC[C@H](O)c1ccoc1C Amb27982187 [1,1,0,0,0,0|1,0,1]=4 701 B11R1.465 CCCCC1=C(C)CCC1=O Amb2725846 [1,1,0,0,0,0|1,0,0]=3 702 B11R1.465 CCCCC1=C(C)CNC1=O Amb27841631 [1,1,0,0,0,0|1,0,0]=3 703 B11R1.465 CCCCC1=C(C)NOC1=O Amb24725267 [1,1,0,0,0,0|1,0,0]=3 704 B11R1.465 CCCCC1=C(C)ONC1=O Amb22491246 [1,1,0,0,0,0|2,0,0]=4 705 B11R1.465 CCCCC1=C(N)N=NC1=O Amb28435832 [1,1,0,0,0,0|2,0,0]=4 706 B11R1.465 CCCCN1C(=O)CCC1=O Amb2967315 [1,1,0,0,0,0|2,0,0]=4 707 B11R1.465 CCCCN1C(=O)CNC1=O Amb9256626 [1,1,0,0,0,0|2,0,0]=4 708 B11R1.465 CCCCN1C(=O)CSC1=O Amb17743755 [1,1,0,0,0,0|1,1,0]=4 709 B11R1.465 CCCC[C@@H]1C(=O)OC[C@@H]1O Amb27632041 [1,1,0,0,0,0|0,0,2]=4 710 B11R1.465 CCCCc1c(N)nnc1=O Amb24071026 [1,1,0,0,0,0|2,0,0]=4 711 B11R1.465 CCCCc1c(O)noc1C Amb3428039 [1,1,0,0,0,0|2,0,0]=4 712 B11R1.465 CCCCc1c(O)noc1N Amb25139370 [1,1,0,0,0,0|2,0,0]=4 713 B11R1.465 CCO\C=C1\C(=O)COC1=O Amb26946337 [1,1,0,0,0,0|1,0,1]=4 714 B11R1.465 CNCCN1C(=O)COC1=O Amb22642617 [1,1,0,0,0,0|2,0,0]=4 715 B11R1.465 CNCCN1C(=O)COC1=O Amb32662323 [1,1,0,0,0,0|2,0,0]=4 716 B11R1.465 NCCCN1C(=O)COC1=O Amb22642591 [1,1,0,0,0,0|2,0,0]=4 717 B11R1.465 NCCCN1C(=O)COC1=O Amb32662428 [1,1,0,0,0,0|2,0,0]=4 718 B11R1.1133 CCCCC1(O)CCOC1=O Amb27257693 [1,1,0,0,0,0|0,0,2]=4 719 B11R1.185 CCCN1CC(CBr)OC1=O Amb18763811 [1,1,0,0,0,0|1,0,1]=4 720 B11R1.185 CCCN1CC(CCl)OC1=O Amb28246344 [1,1,0,0,0,0|1,0,1]=4 721 B11R1.185 CCCN1CC(CN)OC1=O Amb17077244 [1,1,0,0,0,0|1,0,1]=4 722 B11R1.185 CCCN1C[C@@H](CN)OC1=O Amb31161574 [1,1,0,0,0,0|1,0,1]=4 723 B11R1.225 CCC(N)c1cc(C)oc1C Amb18287719 [1,1,0,0,0,0|1,0,1]=4 724 B11R1.225 CC[C@H](N)c1cc(C)oc1C Amb27817800 [1,1,0,0,0,0|1,0,1]=4 725 B11R1.598 C=C1C(C)OC(=O)N1CCCl Amb27657608 [1,1,0,0,0,0|2,0,0]=4 726 B11R1.598 C=CCC1=C(O)[C@H](C)OC1=O Amb27617261 [1,1,0,0,0,0|0,0,2]=4 727 B11R1.598 CCCC1=C(C)CC(C)C1=O Amb27409633 [1,1,0,0,0,0|2,0,0]=4 728 B11R1.598 CCCN1C(=O)NC(C)C1=O Amb9279159 [1,1,0,0,0,0|2,0,0]=4 729 B11R1.645 CC(C)CC1=CC(C)CC1=O Amb26880498 [1,1,0,0,0,0|1,0,0]=3 730 B11R1.645 CC(C)CC1=CC(O)OC1=O Amb32655009 [1,1,0,0,0,0|1,0,0]=3 731 B11R1.645 CC(Cl)\C=C1\CC(C)OC1=O Amb27862929 [1,1,0,0,0,0|0,0,2]=4 732 B11R1.645 CC(O)CN1CC(C)OC1=O Amb10808129 [1,1,0,0,0,0|1,0,1]=4 733 B11R1.645 Cc1cc(CC(C)Br)c(C)o1 Amb33432470 [1,1,0,0,0,0|1,0,1]=4 734 B11R1.645 Cc1cc(CC(C)O)c(C)o1 Amb33344676 [1,1,0,0,0,0|1,0,1]=4 735 B11R1.645 Cc1cc(C[C@@H](C)N)c(C)o1 Amb33344060 [1,1,0,0,0,0|1,0,1]=4 736 B11R1.645 Cc1cc(C[C@@H](C)O)c(C)o1 Amb33344057 [1,1,0,0,0,0|1,0,1]=4 737 B11R1.645 Cc1cc(C[C@H](C)N)c(C)o1 Amb33344059 [1,1,0,0,0,0|1,0,1]=4 738 B11R1.645 Cc1cc(C[C@H](C)O)c(C)o1 Amb33344058 [1,1,0,0,0,0|1,0,1]=4 739 B11R1.365 CCCCC1=C(C)C(=O)C1=O Amb28126682 [0,1,0,0,1,0|1,0,1]=4 740 B11R1.365 CCCCC1=C(O)C(=O)C1=O Amb28182518 [0,1,0,0,1,0|1,0,1]=4 741 B11R1.757 CCCCCC1=CC(=O)C1=O Amb27672574 [0,1,0,0,1,0|1,0,1]=4 742 B11R1.841 CCCCC1C(=O)NC1CC Amb27673663 [0,1,0,0,1,0|1,0,1]=4 743 B13R1.1601 CCCCC1=C(O)C=C(C)OC1=O Amb28136963 [0,1,0,0,0,1|0,0,1]=3 744 B13R1.1601 CCCCN1C(=O)CC(C)CC1=O Amb27823871 [0,1,0,0,0,1|2,0,0]=4 745 B13R1.1630 CCCCC1=NC(C)=C(C)NC1=O Amb27605621 [0,1,0,0,0,1|1,0,1]=4 746 B13R1.1630 CCCNC1=NC(Cl)=C(C)OC1=O Amb28068748 [0,1,0,0,0,1|1,0,1]=4 747 B13R1.55 CC1=CC(OCCCN)=CC(=O)O1 Amb22642634 [0,1,0,0,0,1|1,0,1]=4 748 B13R1.55 CC1=CC(OCCCN)=CC(=O)O1 Amb35745622 [0,1,0,0,0,1|1,0,1]=4 749 B13R1.55 CNCCOC1=CC(=O)OC(C)=C1 Amb22642610 [0,1,0,0,0,1|1,0,1]=4 750 B13R1.55 CNCCOC1=CC(=O)OC(C)=C1 Amb32662266 [0,1,0,0,0,1|1,0,1]=4 751 B13R1.136 CCCCC1=CC(=O)N(C)C(C)=C1 Amb32653973 [0,1,0,0,0,1|1,0,1]=4 752 B13R1.450 CCCC(C)C1=CC(=O)CC(C)C1 Amb27490397 [0,1,0,0,0,1|1,0,1]=4 753 B13R1.3420 CC1=CC(OCC(C)N)=CC(=O)O1 Amb22642659 [0,1,0,0,0,1|1,0,1]=4 754 B13R1.3395 CCCCN1C(=O)CNC(C)C1=O Amb27783757 [0,1,0,0,0,1|2,0,0]=4 755 B13R1.3395 CCCNC1=C(O)COC(C)C1=O Amb27793132 [0,1,0,0,0,1|1,0,1]=4 756 B13R1.680 Cc1cc(C(O)CCCN)c(C)o1 Amb18191971 [0,2,0,0,0,0|1,0,1]=4 757 B13R1.700 CCC(C)C(N)c1cc(C)oc1C Amb18293656 [0,2,0,0,0,0|1,0,1]=4 758 B13R1.700 CCC(C)C(O)c1cc(C)oc1C Amb27664541 [0,2,0,0,0,0|1,0,1]=4 759 B13R1.4456 CCCC(C)N1C(=O)N[C@H](C)C1=O Amb27457206 [0,2,0,0,0,0|2,0,0]=4 760 B13R1.1623 CCCCN1C(=O)NC(C)(O)C1=O Amb28197201 [0,2,0,0,0,0|2,0,0]=4 761 B13R1.1623 CCCCN1C(=O)SC(C)(C)C1=O Amb27586181 [0,2,0,0,0,0|1,1,0]=4 762 B13R1.565 CCCCN1CC(CCN)OC1=O Amb32863707 [0,2,0,0,0,0|1,0,1]=4 763 B13R1.3020 CC(C)CCN1CC(CN)OC1=O Amb17077294 [0,2,0,0,0,0|1,0,1]=4 764 B13R1.3020 CC(C)CCN1CC(CN)OC1=O Amb28555939 [0,2,0,0,0,0|1,0,1]=4 765 B13R1.4697 CCC(N)CN1C(=O)CC(C)C1=O Amb18984894 [0,2,0,0,0,0|2,0,0]=4 766 B13R1.4697 CC[C@H](O)CN1C(=O)NC(C)C1=O Amb28070444 [0,2,0,0,0,0|2,0,0]=4 767 B13R1.3467 CC(C)CCC1=C(O)C(O)CC1=O Amb28125823 [0,2,0,0,0,0|2,0,0]=4 768 B13R1.3467 CC(C)CCN1C(=O)NC(C)C1=O Amb25695983 [0,2,0,0,0,0|2,0,0]=4 769 B13R1.3467 CC(C)CCN1C(=O)N[C@@H](C)C1=O Amb568124 [0,2,0,0,0,0|2,0,0]=4 770 B13R1.3467 CC(C)CCN1C(=O)N[C@H](C)C1=O Amb27982458 [0,2,0,0,0,0|2,0,0]=4 771 B13R1.3467 CC(C)CC[C@@H]1C(=O)O[C@@H](C)[C@@H]1O Amb27208135 [0,2,0,0,0,0|0,0,2]=4 772 B13R1.3467 CC(O)CCN1C(=O)CC(C)C1=O Amb18328811 [0,2,0,0,0,0|2,0,0]=4 773 B13R1.3467 CC(O)CCN1C(=O)NC(C)C1=O Amb28190058 [0,2,0,0,0,0|2,0,0]=4 774 B13R1.3467 CC(O)CCN1C(=O)N[C@H](C)C1=O Amb27660637 [0,2,0,0,0,0|2,0,0]=4 775 B13R1.3467 C[C@@H]1NC(=O)N(CC[C@@H](C)O)C1=O Amb28282888 [0,2,0,0,0,0|2,0,0]=4 776 B13R1.3486 Cc1cc(CCC(C)(C)N)c(C)o1 Amb33344069 [0,2,0,0,0,0|1,0,1]=4 777 B11R1.117 Cl\C=C/C1C=CCCCCC1 Amb27760441 [0,0,1,1,0,0|2,0,0]=4 778 B11R1.34 CCCC1=CC(=O)OC(C)=C1 Amb20247494 [0,0,1,1,0,0|0,0,2]=4 779 B11R1.77 CC(C)OC(=O)C1=CCCC1 Amb27174640 [0,0,1,1,0,0|0,0,2]=4 780 B11R1.77 CC(C)OC(=O)C1CCCC1 Amb28061513 [0,0,1,1,0,0|0,0,2]=4 781 B11R1.77 CC(C)OC(=O)N1CCCC1 Amb25333370 [0,0,1,1,0,0|1,0,1]=4 782 B11R1.106 CC(C)OC(=O)CC1CC1C Amb27270516 [0,0,1,1,0,0|0,0,2]=4 783 B11R1.301 CCCCNC(=O)OC1CC1 Amb32697661 [0,0,1,1,0,0|1,0,1]=4 784 B11R1.484 CC(C)OC(=O)C=C1CCC1 Amb28365570 [0,0,1,1,0,0|0,0,2]=4 785 B11R1.484 CC(C)OC(=O)CC1CCC1 Amb28386675 [0,0,1,1,0,0|0,0,2]=4 786 B11R1.485 CC(C)OC(=O)NCC1CC1 Amb28387534 [0,0,1,1,0,0|1,0,1]=4 787 B11R1.485 CC(C)OC(=O)\C=C\C1CC1 Amb27270485 [0,0,1,1,0,0|0,0,2]=4 788 B11R1.29 CCCCC(=O)C1=CCCO1 Amb27492703 [0,0,1,1,0,0|2,0,0]=4 789 B11R1.349 C=C(C(=O)OCC)C1CCC1 Amb33035925 [0,0,1,1,0,0|0,0,0]=2 790 B11R1.349 CCOC(=O)C(=O)C1CCC1 Amb27672490 [0,0,1,1,0,0|1,0,0]=3 791 B11R1.349 CCOC(=O)C(Br)C1CCC1 Amb27000393 [0,0,1,1,0,0|1,0,1]=4 792 B11R1.349 CCOC(=O)C(C)=C1CCC1 Amb25288662 [0,0,1,1,0,0|0,0,2]=4 793 B11R1.349 CCOC(=O)C(C)C1CCC1 Amb28388173 [0,0,1,1,0,0|0,0,2]=4 794 B11R1.349 CCOC(=O)C(F)C1CCC1 Amb33743320 [0,0,1,1,0,0|1,0,1]=4 795 B11R1.349 CCOC(=O)C(N)C1CCC1 Amb26997447 [0,0,1,1,0,0|1,0,1]=4 796 B11R1.349 CCOC(=O)C(N)C1CCC1 Amb33456453 [0,0,1,1,0,0|1,0,1]=4 797 B11R1.349 CCOC(=O)N(C)C1CCC1 Amb27492586 [0,0,1,1,0,0|1,0,1]=4 798 B11R1.351 C=C(NC1CC1)C(=O)OCC Amb27818747 [0,0,1,1,0,0|1,0,0]=3 799 B11R1.351 CCOC(=O)C(=O)CC1CC1 Amb21964610 [0,0,1,1,0,0|1,0,0]=3 800 B11R1.351 CCOC(=O)C(=O)NC1CC1 Amb10880004 [0,0,1,1,0,0|2,0,0]=4 801 B11R1.351 CCOC(=O)C(N)CC1CC1 Amb18177524 [0,0,1,1,0,0|1,0,1]=4 802 B11R1.351 CCOC(=O)C(N)CC1CC1 Amb20623799 [0,0,1,1,0,0|1,0,1]=4 803 B11R1.351 CCOC(=O)[C@@H](N)CC1CC1 Amb33738094 [0,0,1,1,0,0|1,0,1]=4 804 B11R1.351 CCOC(=O)[C@H](N)CC1CC1 Amb35789385 [0,0,1,1,0,0|1,0,1]=4 805 B11R1.351 CCOC(=O)\C(C)=C\C1CC1 Amb24183345 [0,0,1,1,0,0|0,0,2]=4 806 B11R1.351 CCOC(=O)\C(Cl)=N\C1CC1 Amb24271179 [0,0,1,1,0,0|2,0,0]=4 807 B11R1.819 CCOC(=O)C1(Br)CCCC1 Amb27638675 [0,0,1,1,0,0|1,0,1]=4 808 B11R1.819 CCOC(=O)C1(C)CCCC1 Amb20414470 [0,0,1,1,0,0|0,0,2]=4 809 B11R1.819 CCOC(=O)C1(F)CCCC1 Amb26549367 [0,0,1,1,0,0|1,0,1]=4 810 B11R1.819 CCOC(=O)C1(N)CCCC1 Amb17949628 [0,0,1,1,0,0|1,0,1]=4 811 B11R1.819 CCOC(=O)C1(N)CCCC1 Amb2699195 [0,0,1,1,0,0|1,0,1]=4 812 B11R1.819 CCOC(=O)C1(O)CCCC1 Amb15690774 [0,0,1,1,0,0|1,0,1]=4 813 B11R1.829 CCOC(=O)C1(N)CCC1C Amb27463753 [0,0,1,1,0,0|1,0,1]=4 814 B11R1.834 CCOC(=O)[C@@]1(N)C[C@H]1CC Amb32410257 [0,0,1,1,0,0|1,0,1]=4 815 B11R1.20 CC(O)\C=C1\CCC(C)OC1 Amb35678921 [0,0,1,1,0,0|0,0,2]=4 816 B11R1.20 CC(O)\C=C1\CCC(C)SC1 Amb35671300 [0,0,1,1,0,0|0,1,1]=4 817 B11R1.53 C#CC1=C([C@H](C)O)CCCC1 Amb27486570 [0,0,1,1,0,0|1,0,1]=4 818 B11R1.53 C=C(C)C1=C(C=O)CCCC1 Amb27754046 [0,0,1,1,0,0|1,0,1]=4 819 B11R1.86 CC(C)\C=C1/CCCCC1=O Amb22823238 [0,0,1,1,0,0|1,0,0]=3 820 B11R1.86 CC(C)\C=C1/CSCCC1=O Amb27229582 [0,0,1,1,0,0|2,0,0]=4 821 B11R1.86 CC(C)\C=C1\CCCCC1=O Amb534175 [0,0,1,1,0,0|1,0,0]=3 822 B11R1.86 CC(O)CN1CCCCC1=O Amb18791807 [0,0,1,1,0,0|1,0,1]=4 823 B11R1.86 CN(C)\C=C1/CCCCC1=O Amb22505737 [0,0,1,1,0,0|2,0,0]=4 824 B11R1.86 CN(C)\C=C1\CCCCC1=O Amb7092354 [0,0,1,1,0,0|2,0,0]=4 825 B11R1.313 CC(O)CN1CCC(C)C1=O Amb27962587 [0,0,1,1,0,0|1,0,1]=4 826 B11R1.313 CC1CCN(C[C@@H](C)O)C1=O Amb27236101 [0,0,1,1,0,0|1,0,1]=4 827 B11R1.313 CC1CCN(C[C@H](C)O)C1=O Amb27850394 [0,0,1,1,0,0|1,0,1]=4 828 B11R1.313 CC1CC\C(=C/N(C)C)C1=O Amb27474834 [0,0,1,1,0,0|2,0,0]=4 829 B11R1.372 CC1(C)C=C(C=O)CC1CO Amb25101491 [0,0,1,1,0,0|2,0,0]=4 830 B11R1.751 CC\C(=C/C(C)O)C1CCC1 Amb27244141 [0,0,1,1,0,0|1,0,1]=4 831 B11R1.1062 CC(O)CC1(C=O)CCCC1 Amb25784135 [0,0,1,1,0,0|0,0,2]=4 832 B11R1.21 CC1C=C(C(=O)O)OCC1C Amb27791813 [0,0,1,1,0,0|1,0,0]=3 833 B11R1.21 CC1CCC(C(=O)O)CC1C Amb26037213 [0,0,1,1,0,0|0,0,2]=4 834 B11R1.21 CC1CCC(C(=O)O)NC1C Amb27862874 [0,0,1,1,0,0|1,0,1]=4 835 B11R1.21 CC1CCC(C(=O)O)NC1C Amb28594270 [0,0,1,1,0,0|1,0,1]=4 836 B11R1.193 CCCC1CCCC1C(=O)O Amb18644850 [0,0,1,1,0,0|0,0,2]=4 837 B11R1.193 CCCC1CCNC1C(=O)O Amb25241187 [0,0,1,1,0,0|1,0,1]=4 838 B11R1.193 CCCC1CCNC1C(=O)O Amb28652947 [0,0,1,1,0,0|1,0,1]=4 839 B11R1.193 CCCC1CCN[C@@H]1C(=O)O Amb28340938 [0,0,1,1,0,0|1,0,1]=4 840 B11R1.193 CCC[C@@H]1CCC[C@@H]1C(=O)O Amb27878683 [0,0,1,1,0,0|0,0,2]=4 841 B11R1.193 CCC[C@@H]1CCN[C@H]1C(=O)O Amb26452406 [0,0,1,1,0,0|1,0,1]=4 842 B11R1.266 CCC1CCNC(C(=O)O)C1 Amb18830613 [0,0,1,1,0,0|1,0,1]=4 843 B11R1.266 CCC1CCNC(C(=O)O)C1 Amb33338905 [0,0,1,1,0,0|1,0,1]=4 844 B11R1.266 CCC1CNC=C(C(C)=O)C1 Amb27470723 [0,0,1,1,0,0|2,0,0]=4 845 B11R1.266 CC[C@@H]1CCN[C@H](C(=O)O)C1 Amb27421998 [0,0,1,1,0,0|1,0,1]=4 846 B11R1.266 CC[C@H]1CCN[C@@H](C(=O)O)C1 Amb25937982 [0,0,1,1,0,0|1,0,1]=4 847 B11R1.266 CC[C@H]1CCN[C@@H](C(=O)O)C1 Amb33338984 [0,0,1,1,0,0|1,0,1]=4 848 B11R1.565 CC1CCCC(C(=O)O)CC1 Amb24487583 [0,0,1,1,0,0|0,0,2]=4 849 B11R1.565 CC1CCNC(C(=O)O)CC1 Amb27441897 [0,0,1,1,0,0|1,0,1]=4 850 B11R1.706 CC(=O)C1=CCCCCCC1 Amb27473365 [0,0,1,1,0,0|1,0,0]=3 851 B11R1.706 C\C(O)=C1/C=CCCCCC1 Amb26494049 [0,0,1,1,0,0|1,0,1]=4 852 B11R1.706 O=C(O)C1=CCCCCC=C1 Amb26452545 [0,0,1,1,0,0|0,0,2]=4 853 B11R1.706 O=C(O)C1C=CCCCCC1 Amb27401809 [0,0,1,1,0,0|0,0,2]=4 854 B11R1.706 O=C(O)C1CCCCCCC1 Amb18278612 [0,0,1,1,0,0|0,0,2]=4 855 B11R1.706 O=C(O)C1CCCCCCN1 Amb27760420 [0,0,1,1,0,0|1,0,1]=4 856 B11R1.706 O=C(O)C1CCCCCCN1 Amb28652940 [0,0,1,1,0,0|1,0,1]=4 857 B11R1.706 OB(O)C1=CCCCCCC1 Amb27664628 [0,0,1,1,0,0|1,0,1]=4 858 B11R1.760 CCCC(C(=O)O)C1CCC1 Amb23590263 [0,0,1,1,0,0|0,0,2]=4 859 B11R1.773 CCSC1(C(=O)O)CCC1C Amb25739212 [0,0,1,1,0,0|1,0,1]=4 860 B11R1.806 CCN[C@H](CC1CC1)C(=O)O Amb33347503 [0,0,1,1,0,0|1,0,1]=4 861 B11R1.905 CCCCC1(C(=O)O)CCC1 Amb26069896 [0,0,1,1,0,0|0,0,2]=4 862 B11R1.1239 CCCC1(C(=O)O)CCCC1 Amb18300462 [0,0,1,1,0,0|0,0,2]=4 863 B11R1.1239 CCOC1(C(=O)O)CCCC1 Amb18976726 [0,0,1,1,0,0|1,0,1]=4 864 B11R2.1 Cn1ncc2c1CCCC2 Amb27485315 [1,0,0,1,0,0|2,0,0]=4 865 B11R2.10 CC1C=C2CCCCN2C1 Amb27839179 [1,0,0,1,0,0|2,0,0]=4 866 B11R2.10 Cc1cc2c(o1)CCNC2 Amb23591022 [1,0,0,1,0,0|1,0,1]=4 867 B11R2.10 Cc1cc2c(o1)CNCC2 Amb18832359 [1,0,0,1,0,0|1,0,1]=4 868 B11R2.10 Cc1cc2c(o1)COCC2 Amb27229306 [1,0,0,1,0,0|1,0,1]=4 869 B11R2.10 Cc1nc2c(o1)CCCC2 Amb27250722 [1,0,0,1,0,0|1,0,1]=4 870 B11R2.10 Cn1cc2c(n1)CCCC2 Amb27157979 [1,0,0,1,0,0|2,0,0]=4 871 B11R2.352 Brc1cc(C2CCC2)co1 Amb10600910 [1,0,0,1,0,0|1,0,1]=4 872 B11R2.3 O=C1OCCC12CCCC2 Amb26503686 [1,0,0,1,0,0|0,0,2]=4 873 B11R2.18 c1cc2c(o1)CCCCC2 Amb28385497 [1,0,0,1,0,0|1,0,1]=4 874 B11R2.459 Brc1occc1C2CCC2 Amb13884536 [1,0,0,1,0,0|1,0,1]=4 875 B11R2.459 Nc1oncc1C2CCC2 Amb35749564 [1,0,0,1,0,0|2,0,0]=4 876 B11R2.202 CC1CC(=O)C2=C1CCC2 Amb27640761 [1,0,0,1,0,0|1,0,0]=3 877 B11R2.202 O=C1OC(=O)C2=C1CCC2 Amb9825622 [1,0,0,1,0,0|1,0,1]=4 878 B11R2.54 CC1C(=O)[C@H]2CCCC[C@@H]12 Amb27970163 [0,0,0,1,1,0|0,0,2]=4 879 B11R2.128 CC1NC(=O)C1C2CCC2 Amb27212705 [0,0,0,1,1,0|1,0,1]=4 880 B11R2.200 CC12CCCCC1C(=O)C2 Amb27236759 [0,0,0,1,1,0|1,0,1]=4 881 B11R2.200 CC12CCCCC1C(=O)N2 Amb27236881 [0,0,0,1,1,0|1,0,1]=4 882 B11R2.200 C[C@@]12CCCC[C@@H]1C(=O)N2 Amb25811658 [0,0,0,1,1,0|1,0,1]=4 883 B13R2.328 CC1=CC(=O)C2=C(CCCC2)O1 Amb18548433 [0,0,0,1,0,1|1,0,1]=4 884 B13R2.328 CC1=NC2=C(CCCC2)C(=O)N1 Amb18800796 [0,0,0,1,0,1|1,0,1]=4 885 B13R2.328 CC1NC(=O)C2=C(CCCC2)N1 Amb28189601 [0,0,0,1,0,1|1,0,0]=3 886 B13R2.328 O=C1NC2=C(CCCC2)C(=O)O1 Amb27230565 [0,0,0,1,0,1|1,0,1]=4 887 B13R2.5047 CC1CNC2(CCCC2)C(=O)O1 Amb5781664 [0,0,0,1,0,1|0,0,2]=4 888 B13R2.230 O=C1CCC2C=C1CCCCC2 Amb27211981 [0,0,0,1,0,1|1,0,0]=3 889 B13R2.371 CN1CCC(=O)C2=C1CCCC2 Amb26966907 [0,0,0,1,0,1|2,0,0]=4 890 B13R2.7172 C[C@@H]1COC(=O)C2(CCCC2)N1 Amb18014340 [0,0,0,1,0,1|1,0,1]=4 891 B13R2.389 Cc1cc2c(o1)C(=O)NCCC2 Amb18828459 [0,1,0,1,0,0|1,0,1]=4 892 B13R2.2921 Cc1cc(C2CC2CN)c(C)o1 Amb33343625 [0,1,0,1,0,0|1,0,1]=4 893 B13R2.2921 Cc1cc([C@@H]2C[C@H]2CN)c(C)o1 Amb33343626 [0,1,0,1,0,0|1,0,1]=4 894 B13R2.4666 CC1CN(C2CCNC2)C(=O)O1 Amb23598573 [0,1,0,1,0,0|1,0,1]=4 895 B13R2.4666 Cc1cc(C2CCCN2)c(C)o1 Amb19515530 [0,1,0,1,0,0|1,0,1]=4 896 B13R2.4666 Cc1cc(C2CCNC2)c(C)o1 Amb26373832 [0,1,0,1,0,0|1,0,1]=4 897 B13R2.4666 Cc1cc([C@@H]2CCCN2)c(C)o1 Amb27222355 [0,1,0,1,0,0|1,0,1]=4 898 B13R2.4666 O=C1C=C(N2CCCC2)C(=O)O1 Amb24497653 [0,1,0,1,0,0|1,0,1]=4 899 B13R2.4857 CC1NCCC2=C1N(C)NC2=O Amb26891410 [0,1,0,1,0,0|2,0,0]=4 900 B13R2.4857 CC1OC(=O)N2CCCC(O)C12 Amb28294192 [0,1,0,1,0,0|1,0,1]=4 901 B13R2.4857 C[C@H]1CCOC2=C1[C@H](C)CC2=O Amb28321911 [0,1,0,1,0,0|1,0,0]=3 902 B13R2.4857 C[C@H]1OC(=O)N2CCC[C@H](O)[C@H]12 Amb27853781 [0,1,0,1,0,0|1,0,1]=4 903 B13R2.10165 Cc1cc(C(N)C2CC2)c(C)o1 Amb18956567 [0,1,0,1,0,0|1,0,1]=4 904 B13R2.10165 Cc1cc([C@H](N)C2CC2)c(C)o1 Amb27759624 [0,1,0,1,0,0|1,0,1]=4 905 B13R2.22432 Cc1cc(C2(N)CCC2)c(C)o1 Amb33343239 [0,1,0,1,0,0|1,0,1]=4 906 B13R2.161 Cc1cc2c(o1)CCC(O)CC2 Amb28207413 [0,1,0,1,0,0|1,0,1]=4 907 B13R2.2931 COC1OC(=O)C2=C1COCN2 Amb27831366 [0,1,0,1,0,0|2,0,0]=4 908 B13R2.2931 Cn1nc(C=O)c2c1CCCC2 Amb17064255 [0,1,0,1,0,0|2,0,0]=4 909 B13R2.2931 NCC1OC(=O)[C@@H]2CCCC[C@H]12 Amb27204879 [0,1,0,1,0,0|0,0,2]=4 910 B13R2.2931 O=C1CC(CCl)C2=C1CCCC2 Amb27178074 [0,1,0,1,0,0|1,0,0]=3 911 B13R2.12159 CC1(C)OC(=O)C2=CCCCC21 Amb28044748 [0,1,0,1,0,0|0,0,2]=4 912 B13R2.12159 CC1(C)OC(=O)C2CCCCC21 Amb27241093 [0,1,0,1,0,0|0,0,2]=4 913 B13R2.1317 NCC1CN(C2CCC2)C(=O)O1 Amb35711776 [0,1,0,1,0,0|1,0,1]=4 914 B13R2.1317 O=C1OC(CBr)CN1C2CCC2 Amb27178448 [0,1,0,1,0,0|1,0,1]=4 915 B13R2.2478 O=C1OC(CO)CC1CC2CC2 Amb27456537 [0,1,0,1,0,0|0,0,2]=4 916 B13R2.2478 O=C1O[C@H](CO)C[C@@H]1CC2CC2 Amb27969787 [0,1,0,1,0,0|0,0,2]=4 917 B13R2.3085 CC1C(=O)C2=C(CCCC2)C1C Amb27854587 [0,1,0,1,0,0|1,0,0]=3 918 B13R2.3085 CC1C(=O)C2=C(CCCO2)C1C Amb27176013 [0,1,0,1,0,0|2,0,0]=4 919 B13R2.3085 C[C@@H]1C(=O)C2=C(CCCO2)[C@@H]1C Amb28054396 [0,1,0,1,0,0|2,0,0]=4 920 B13R2.4745 CC1CC2=C(CCCCC2)C1=O Amb27177836 [0,1,0,1,0,0|2,0,0]=4 921 B13R2.3004 CC1CC(SCC2CC2)C(=O)O1 Amb27757084 [0,1,0,1,0,0|0,0,2]=4 922 B13R2.3012 Cc1cc(CC2CNC2)c(C)o1 Amb33344410 [0,1,0,1,0,0|1,0,1]=4 923 B13R2.4014 CC1CC2(CCCCC2)C(=O)O1 Amb26432351 [0,1,0,1,0,0|0,0,2]=4 924 B13R2.4023 O=C1CC(O)C2=C1CCCCC2 Amb17594132 [0,1,0,1,0,0|2,0,0]=4 925 B13R2.4023 O=C1OC(=O)C2=C1CCCCC2 Amb22364776 [0,1,0,1,0,0|1,0,1]=4 926 B13R2.5187 CC1CCC2=C(C1)C(=O)CC2C Amb27212026 [0,1,0,1,0,0|1,0,0]=3 927 B13R2.5187 CC1CCC2=C(C1)C(=O)OC2=O Amb25880309 [0,1,0,1,0,0|1,0,1]=4 928 B13R2.5187 CC1OC(=O)C2CC(O)CCN12 Amb27946928 [0,1,0,1,0,0|1,0,1]=4 929 B13R2.12695 Cc1cc(CC2(N)CC2)c(C)o1 Amb33344070 [0,1,0,1,0,0|1,0,1]=4 930 B13R2.12695 Cc1cc(CC2(O)CC2)c(C)o1 Amb33343592 [0,1,0,1,0,0|1,0,1]=4 931 B13R2.3006 C[C@H]1NC(=O)N(C2CCC2)C1=O Amb28317339 [0,1,0,1,0,0|2,0,0]=4 932 B13R2.3007 C[C@@H]1NC(=O)N(CC2CC2)C1=O Amb28454976 [0,1,0,1,0,0|2,0,0]=4 933 B13R2.9379 CCCCN1C(=O)C2CC2C1=O Amb27651174 [0,1,0,1,0,0|2,0,0]=4 934 B9R0.47 C=C(C)C(=O)NCCCC Amb17933970 [0,0,1,0,1,0|1,0,1]=4 935 B9R0.47 C=C(C)C(=O)OCCCC Amb8395007 [0,0,1,0,1,0|1,0,1]=4 936 B9R0.47 C=C(C)C(=O)\C=C\CCC Amb26627157 [0,0,1,0,1,0|0,0,2]=4 937 B9R0.47 CCCCCC(=O)C(C)C Amb9024776 [0,0,1,0,1,0|0,0,2]=4 938 B9R0.47 CCCCCC(=O)C(C)Cl Amb27214156 [0,0,1,0,1,0|1,0,1]=4 939 B9R0.47 CCCCCC(=O)C(C)F Amb27802661 [0,0,1,0,1,0|1,0,1]=4 940 B9R0.47 CCCCNC(=O)C(C)Br Amb17333014 [0,0,1,0,1,0|2,0,0]=4 941 B9R0.47 CCCCNC(=O)C(C)Cl Amb6279272 [0,0,1,0,1,0|2,0,0]=4 942 B9R0.47 CCCCNC(=O)C(C)I Amb28365859 [0,0,1,0,1,0|2,0,0]=4 943 B9R0.47 CCCCNC(=O)C(C)N Amb6274939 [0,0,1,0,1,0|2,0,0]=4 944 B9R0.47 CCCCNC(=O)C(C)O Amb9421393 [0,0,1,0,1,0|2,0,0]=4 945 B9R0.47 CCCCNC(=O)[C@@H](C)Br Amb27799880 [0,0,1,0,1,0|2,0,0]=4 946 B9R0.47 CCCCNC(=O)[C@@H](C)N Amb18014636 [0,0,1,0,1,0|2,0,0]=4 947 B9R0.47 CCCCNC(=O)[C@@H](C)O Amb25740293 [0,0,1,0,1,0|2,0,0]=4 948 B9R0.47 CCCCNC(=O)[C@H](C)Br Amb27617159 [0,0,1,0,1,0|2,0,0]=4 949 B9R0.47 CCCCNC(=O)[C@H](C)O Amb27259099 [0,0,1,0,1,0|2,0,0]=4 950 B9R0.47 CCCCOC(=O)C(C)Br Amb3939973 [0,0,1,0,1,0|2,0,0]=4 951 B9R0.47 CCCCOC(=O)C(C)Cl Amb9786084 [0,0,1,0,1,0|2,0,0]=4 952 B9R0.47 CCCCOC(=O)C(C)F Amb27816837 [0,0,1,0,1,0|2,0,0]=4 953 B9R0.47 CCCCOC(=O)C(C)N Amb8894984 [0,0,1,0,1,0|2,0,0]=4 954 B9R0.47 CCCCOC(=O)C(C)O Amb3939678 [0,0,1,0,1,0|2,0,0]=4 955 B9R0.47 CCCCOC(=O)[C@H](C)N Amb26979455 [0,0,1,0,1,0|2,0,0]=4 956 B9R0.47 CCCCOC(=O)[C@H](C)O Amb3939703 [0,0,1,0,1,0|2,0,0]=4 957 B9R0.47 CCCC\C=C(\C)C(C)N Amb27617843 [0,0,1,0,1,0|2,0,0]=4 958 B9R0.47 CCC\C=C\C(=O)C(C)N Amb33327185 [0,0,1,0,1,0|1,0,1]=4 959 B9R1.154 CCCC1C(=O)CC1C Amb27838721 [1,0,0,0,1,0|1,0,1]=4 960 B9R1.154 CCC[C@@H]1C(=O)C[C@H]1C Amb27261959 [1,0,0,0,1,0|1,0,1]=4 961 B11R0.46 CCCCCC(=O)OCC(C)Br Amb33276533 [0,0,1,0,0,1|1,0,1]=4 962 B11R0.46 CCCCCC(=O)OCC(C)C Amb9786162 [0,0,1,0,0,1|0,0,2]=4 963 B11R1.1 CCCCc1ccc(C)cc1 Amb22002059 [1,0,0,0,0,1|1,0,1]=4 964 B11R1.1 CCCCc1cnc(C)cn1 Amb27783861 [1,0,0,0,0,1|1,0,1]=4