0 B10R1.66 CC(=N)NCc1cc[n]o1 Amb24481279 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.66 CC(=O)C#Cc1cc[nH][n]1 Amb25769431 [0,0,0,0,0,0|2,0,2]=4 2 B10R1.66 CC(=O)C#Cc1ccc[s]1 Amb25130575 [0,0,0,0,0,0|0,1,2]=3 3 B10R1.66 CC(=O)CC[n]1cccc1 Amb25138234 [0,0,0,0,0,0|2,0,2]=4 4 B10R1.66 CC(=O)CCc1[n]cco1 Amb18832106 [0,0,0,0,0,0|1,0,2]=3 5 B10R1.66 CC(=O)CCc1c[n]co1 Amb18832107 [0,0,0,0,0,0|1,0,2]=3 6 B10R1.66 CC(=O)CCc1c[s]c[n]1 Amb25133415 [0,0,0,0,0,0|2,0,2]=4 7 B10R1.66 CC(=O)CCc1cc[nH]c1 Amb18223260 [0,0,0,0,0,0|2,0,2]=4 8 B10R1.66 CC(=O)CCc1cc[n][s]1 Amb24699528 [0,0,0,0,0,0|1,1,2]=4 9 B10R1.66 CC(=O)CCc1ccc[nH]1 Amb24505108 [0,0,0,0,0,0|1,0,2]=3 10 B10R1.66 CC(=O)CCc1ccco1 Amb1107538 [0,0,0,0,0,0|0,0,2]=2 11 B10R1.66 CC(=O)CCc1cco[n]1 Amb18832105 [0,0,0,0,0,0|2,0,2]=4 12 B10R1.66 CC(=O)CCc1nccs1 Amb17334384 [0,0,0,0,0,0|1,1,2]=4 13 B10R1.66 CC(=O)CSc1[n]cc[s]1 Amb18178062 [0,0,0,0,0,0|2,1,1]=4 14 B10R1.66 CC(=O)CSc1[n]cco1 Amb25805618 [0,0,0,0,0,0|2,0,1]=3 15 B10R1.66 CC(=O)NCc1[n]cc[s]1 Amb24096277 [0,0,0,0,0,0|2,1,1]=4 16 B10R1.66 CC(=O)NCc1c[s]c[n]1 Amb25853246 [0,0,0,0,0,0|3,0,1]=4 17 B10R1.66 CC(=O)NCc1ccco1 Amb1209246 [0,0,0,0,0,0|1,0,1]=2 18 B10R1.66 CC(=O)NCc1cccs1 Amb1218150 [0,0,0,0,0,0|1,1,1]=3 19 B10R1.66 CC(=O)NCc1coc[n]1 Amb25051905 [0,0,0,0,0,0|3,0,1]=4 20 B10R1.66 CC(=O)NCc1cscc1 Amb10945323 [0,0,0,0,0,0|3,0,1]=4 21 B10R1.66 CC(=O)OCc1c[nH]c[n]1 Amb20248319 [0,0,0,0,0,0|3,0,1]=4 22 B10R1.66 CC(=O)OCc1c[n]c[s]1 Amb25279956 [0,0,0,0,0,0|2,1,1]=4 23 B10R1.66 CC(=O)OCc1cc[n]o1 Amb25840725 [0,0,0,0,0,0|2,0,1]=3 24 B10R1.66 CC(=O)OCc1cc[s]c1 Amb25369522 [0,0,0,0,0,0|3,0,1]=4 25 B10R1.66 CC(=O)OCc1ccc[nH]1 Amb24478971 [0,0,0,0,0,0|2,0,1]=3 26 B10R1.66 CC(=O)OCc1ccc[s]1 Amb25077698 [0,0,0,0,0,0|1,1,1]=3 27 B10R1.66 CC(=O)OCc1cco[n]1 Amb24482875 [0,0,0,0,0,0|3,0,1]=4 28 B10R1.66 CC(=O)SCc1[n]cc[s]1 Amb24691828 [0,0,0,0,0,0|2,1,1]=4 29 B10R1.66 CC(=O)SCc1c[nH]c[n]1 Amb24482136 [0,0,0,0,0,0|3,0,1]=4 30 B10R1.66 CC(=O)\C=C/[n]1c[n]c[n]1 Amb25066924 [0,0,0,0,0,0|3,0,0]=3 31 B10R1.66 CC(=O)\C=C/c1c[nH]c[n]1 Amb25774188 [0,0,0,0,0,0|2,0,0]=2 32 B10R1.66 CC(=O)\C=C/c1ccco1 Amb25066388 [0,0,0,0,0,0|0,0,0]=0 33 B10R1.66 CC(=O)\C=C/c1cccs1 Amb10069576 [0,0,0,0,0,0|0,1,0]=1 34 B10R1.66 CC(=O)\C=C\C=1CCCC1 Amb25209541 [0,0,0,0,0,0|1,0,2]=3 35 B10R1.66 CC(=O)\C=C\[n]1[n][n]c[n]1 Amb24690516 [0,0,0,0,0,0|4,0,0]=4 36 B10R1.66 CC(=O)\C=C\[n]1c[n][n][n]1 Amb24575132 [0,0,0,0,0,0|4,0,0]=4 37 B10R1.66 CC(=O)\C=C\[n]1c[n][n]c1 Amb24690704 [0,0,0,0,0,0|4,0,0]=4 38 B10R1.66 CC(=O)\C=C\[n]1c[n]c[n]1 Amb25319912 [0,0,0,0,0,0|3,0,0]=3 39 B10R1.66 CC(=O)\C=C\[n]1cc[n][n]1 Amb25272450 [0,0,0,0,0,0|3,0,0]=3 40 B10R1.66 CC(=O)\C=C\c1[n]cc[s]1 Amb24478442 [0,0,0,0,0,0|1,1,0]=2 41 B10R1.66 CC(=O)\C=C\c1c[n]c[nH]1 Amb25203811 [0,0,0,0,0,0|2,0,0]=2 42 B10R1.66 CC(=O)\C=C\c1c[n]c[s]1 Amb24478227 [0,0,0,0,0,0|1,1,0]=2 43 B10R1.66 CC(=O)\C=C\c1c[s]c[n]1 Amb24673605 [0,0,0,0,0,0|2,0,0]=2 44 B10R1.66 CC(=O)\C=C\c1cc[s]c1 Amb22370887 [0,0,0,0,0,0|2,0,0]=2 45 B10R1.66 CC(=O)\C=C\c1ccco1 Amb1153591 [0,0,0,0,0,0|0,0,0]=0 46 B10R1.66 CC(=O)\C=C\c1ccoc1 Amb24479175 [0,0,0,0,0,0|2,0,0]=2 47 B10R1.66 CC(=S)OCc1ccco1 Amb10807433 [0,0,0,0,0,0|1,1,1]=3 48 B10R1.66 CC(Br)CCc1ccco1 Amb24529291 [0,0,0,0,0,0|1,0,3]=4 49 B10R1.66 CC(Br)\C=C\c1c[s]c[n]1 Amb25824179 [0,0,0,0,0,0|3,0,1]=4 50 B10R1.66 CC(Br)\C=C\c1c[s]cc1 Amb25709255 [0,0,0,0,0,0|3,0,1]=4 51 B10R1.66 CC(Br)\C=C\c1ccc[nH]1 Amb25694584 [0,0,0,0,0,0|2,0,1]=3 52 B10R1.66 CC(Br)\C=C\c1cocc1 Amb24624196 [0,0,0,0,0,0|3,0,1]=4 53 B10R1.66 CC(C)=CC[n]1cccc1 Amb25698106 [0,0,0,0,0,0|3,0,1]=4 54 B10R1.66 CC(C)=CCc1ccc[nH]1 Amb25147307 [0,0,0,0,0,0|2,0,1]=3 55 B10R1.66 CC(C)=CCc1ccco1 Amb24729430 [0,0,0,0,0,0|1,0,1]=2 56 B10R1.66 CC(C)\C=C\c1[nH]cc[n]1 Amb24561622 [0,0,0,0,0,0|3,0,1]=4 57 B10R1.66 CC(C)\C=C\c1[n]cc[s]1 Amb24106745 [0,0,0,0,0,0|2,1,1]=4 58 B10R1.66 CC(C)\N=C\c1ccc[s]1 Amb25230203 [0,0,0,0,0,0|2,1,1]=4 59 B10R1.66 CC(CCc1ccco1)N Amb1080929 [0,0,0,0,0,0|1,0,3]=4 60 B10R1.66 CC(Cl)\C=C\c1c[n]c[s]1 Amb25185335 [0,0,0,0,0,0|2,1,1]=4 61 B10R1.66 CC(Cl)\C=C\c1ccc[nH]1 Amb25679291 [0,0,0,0,0,0|2,0,1]=3 62 B10R1.66 CC(N)C#Cc1ccco1 Amb25374672 [0,0,0,0,0,0|1,0,3]=4 63 B10R1.66 CC(N)\C=C\c1c[s]c[n]1 Amb25107692 [0,0,0,0,0,0|3,0,1]=4 64 B10R1.66 CC(N)\C=C\c1c[s]cc1 Amb24479606 [0,0,0,0,0,0|3,0,1]=4 65 B10R1.66 CC(N)\C=C\c1ccc[nH]1 Amb25169341 [0,0,0,0,0,0|2,0,1]=3 66 B10R1.66 CC(NCc1ccco1)C Amb1112725 [0,0,0,0,0,0|2,0,2]=4 67 B10R1.66 CC(NCc1ccco1)C Amb2118781 [0,0,0,0,0,0|2,0,2]=4 68 B10R1.66 CC(O)\C=C\c1c[nH]cc1 Amb25080476 [0,0,0,0,0,0|2,0,2]=4 69 B10R1.66 CC(O)\C=C\c1c[s]c[n]1 Amb24625202 [0,0,0,0,0,0|2,0,2]=4 70 B10R1.66 CC(O)\C=C\c1ccc[s]1 Amb25097279 [0,0,0,0,0,0|0,1,2]=3 71 B10R1.66 CC(O)\C=C\c1ccco1 Amb24504965 [0,0,0,0,0,0|0,0,2]=2 72 B10R1.66 CC(O)\C=C\c1cocc1 Amb25101090 [0,0,0,0,0,0|2,0,2]=4 73 B10R1.66 CN(C)/N=C/c1ccc[nH]1 Amb17803566 [0,0,0,0,0,0|4,0,0]=4 74 B10R1.66 CN(C)/N=C/c1cccs1 Amb17805951 [0,0,0,0,0,0|3,1,0]=4 75 B10R1.66 CN(C)NCc1ccco1 Amb25053633 [0,0,0,0,0,0|3,0,1]=4 76 B10R1.66 CN(C)\C=C\c1cc[n][s]1 Amb25247799 [0,0,0,0,0,0|3,1,0]=4 77 B10R1.66 CN(\N=C\c1ccco1)C Amb16192915 [0,0,0,0,0,0|3,0,0]=3 78 B10R1.66 C[C@H](O)\C=C\c1ccco1 Amb24553065 [0,0,0,0,0,0|0,0,2]=2 79 B10R1.66 C\C(\N)=N\Oc1ccc[s]1 Amb25048336 [0,0,0,0,0,0|3,1,0]=4 80 B10R1.66 ClC(=O)\C=C\c1ccco1 Amb16230244 [0,0,0,0,0,0|1,0,0]=1 81 B10R1.66 NC(=N)CCc1ccco1 Amb18063862 [0,0,0,0,0,0|2,0,2]=4 82 B10R1.66 NC(=N)NCc1ccco1 Amb1981457 [0,0,0,0,0,0|3,0,1]=4 83 B10R1.66 NC(=N)SCc1ccco1 Amb24738572 [0,0,0,0,0,0|3,0,1]=4 84 B10R1.66 NC(=N)\C=C\c1c[nH]c[n]1 Amb24502356 [0,0,0,0,0,0|4,0,0]=4 85 B10R1.66 NC(=N)\C=C\c1cc[s]c1 Amb24550556 [0,0,0,0,0,0|4,0,0]=4 86 B10R1.66 NC(=N)\C=C\c1ccc[s]1 Amb24628961 [0,0,0,0,0,0|2,1,0]=3 87 B10R1.66 NC(=O)C=Cc1ccc[s]1 Amb24061584 [0,0,0,0,0,0|1,1,0]=2 88 B10R1.66 NC(=O)CNc1ccc[s]1 Amb25301327 [0,0,0,0,0,0|2,1,1]=4 89 B10R1.66 NC(=O)CSc1[n]cco1 Amb25360614 [0,0,0,0,0,0|3,0,1]=4 90 B10R1.66 NC(=O)NCc1cc[n]o1 Amb25192277 [0,0,0,0,0,0|3,0,1]=4 91 B10R1.66 NC(=O)NCc1ccc[nH]1 Amb25237330 [0,0,0,0,0,0|3,0,1]=4 92 B10R1.66 NC(=O)NCc1ccco1 Amb1105644 [0,0,0,0,0,0|2,0,1]=3 93 B10R1.66 NC(=O)NCc1cccs1 Amb1106145 [0,0,0,0,0,0|2,1,1]=4 94 B10R1.66 NC(=O)\C=C/c1c[s]c[n]1 Amb25146273 [0,0,0,0,0,0|3,0,0]=3 95 B10R1.66 NC(=O)\C=C\c1[nH]cc[n]1 Amb24710118 [0,0,0,0,0,0|3,0,0]=3 96 B10R1.66 NC(=O)\C=C\c1[n]cc[s]1 Amb24731688 [0,0,0,0,0,0|2,1,0]=3 97 B10R1.66 NC(=O)\C=C\c1c[nH]c[n]1 Amb24422176 [0,0,0,0,0,0|3,0,0]=3 98 B10R1.66 NC(=O)\C=C\c1c[n]c[s]1 Amb24644801 [0,0,0,0,0,0|2,1,0]=3 99 B10R1.66 NC(=O)\C=C\c1cc[nH]c1 Amb25807301 [0,0,0,0,0,0|3,0,0]=3 100 B10R1.66 NC(=O)\C=C\c1cc[n][s]1 Amb24558336 [0,0,0,0,0,0|2,1,0]=3 101 B10R1.66 NC(=O)\C=C\c1cc[s]c1 Amb24370950 [0,0,0,0,0,0|3,0,0]=3 102 B10R1.66 NC(=O)\C=C\c1ccc[nH]1 Amb24612374 [0,0,0,0,0,0|2,0,0]=2 103 B10R1.66 NC(=O)\C=C\c1ccoc1 Amb24667940 [0,0,0,0,0,0|3,0,0]=3 104 B10R1.66 NC(=O)\N=C\c1ccc[s]1 Amb24340487 [0,0,0,0,0,0|2,1,0]=3 105 B10R1.66 NC(=O)\N=C\c1ccco1 Amb25173612 [0,0,0,0,0,0|2,0,0]=2 106 B10R1.66 NC(=S)CCc1ccco1 Amb17232155 [0,0,0,0,0,0|1,1,2]=4 107 B10R1.66 NC(=S)NCc1ccco1 Amb1152245 [0,0,0,0,0,0|2,1,1]=4 108 B10R1.66 NC(=S)\C=C/c1ccco1 Amb18108368 [0,0,0,0,0,0|1,1,0]=2 109 B10R1.66 NC(=S)\C=C\c1ccc[s]1 Amb24417770 [0,0,0,0,0,0|1,2,0]=3 110 B10R1.66 NC(=S)\C=C\c1ccco1 Amb24425561 [0,0,0,0,0,0|1,1,0]=2 111 B10R1.66 O=C(Cl)C#Cc1ccco1 Amb24519054 [0,0,0,0,0,0|1,0,2]=3 112 B10R1.66 O=C(Cl)CCc1ccc[s]1 Amb23440823 [0,0,0,0,0,0|1,1,2]=4 113 B10R1.66 O=C(Cl)\C=C\c1[nH]cc[n]1 Amb24512031 [0,0,0,0,0,0|3,0,0]=3 114 B10R1.66 O=C(Cl)\C=C\c1c[nH]c[n]1 Amb24563426 [0,0,0,0,0,0|3,0,0]=3 115 B10R1.66 O=C(Cl)\C=C\c1cc[nH]c1 Amb25264875 [0,0,0,0,0,0|3,0,0]=3 116 B10R1.66 O=C(Cl)\C=C\c1ccoc1 Amb25360259 [0,0,0,0,0,0|3,0,0]=3 117 B10R1.66 O=N(=O)\C=C\c1ccc[s]1 Amb20621961 [0,0,0,0,0,0|2,1,0]=3 118 B10R1.66 OB(O)\C=C\c1ccc[s]1 Amb25790951 [0,0,0,0,0,0|2,1,1]=4 119 B10R1.66 OC(=O)C#Cc1ccco1 Amb20672984 [0,0,0,0,0,0|1,0,2]=3 120 B10R1.66 OC(=O)C#Cc1cccs1 Amb17138439 [0,0,0,0,0,0|1,1,2]=4 121 B10R1.66 OC(=O)C=Cc1ccc[s]1 Amb24076486 [0,0,0,0,0,0|1,1,0]=2 122 B10R1.66 OC(=O)C=Cc1cscn1 Amb14011900 [0,0,0,0,0,0|3,0,0]=3 123 B10R1.66 OC(=O)CCC=1CC=CC1 Amb25264551 [0,0,0,0,0,0|2,0,2]=4 124 B10R1.66 OC(=O)CCc1c[n]co1 Amb22011672 [0,0,0,0,0,0|2,0,2]=4 125 B10R1.66 OC(=O)CCc1ccc[nH]1 Amb10602142 [0,0,0,0,0,0|2,0,2]=4 126 B10R1.66 OC(=O)CCc1ccco1 Amb1153073 [0,0,0,0,0,0|1,0,2]=3 127 B10R1.66 OC(=O)CCc1cccs1 Amb1154297 [0,0,0,0,0,0|1,1,2]=4 128 B10R1.66 OC(=O)CCc1ccno1 Amb1092001 [0,0,0,0,0,0|2,0,2]=4 129 B10R1.66 OC(=O)CCc1ncco1 Amb17399867 [0,0,0,0,0,0|2,0,2]=4 130 B10R1.66 OC(=O)CNc1c[n]co1 Amb25317924 [0,0,0,0,0,0|3,0,1]=4 131 B10R1.66 OC(=O)CNc1cc[n]o1 Amb24575684 [0,0,0,0,0,0|3,0,1]=4 132 B10R1.66 OC(=O)CSc1[n]cco1 Amb24647960 [0,0,0,0,0,0|3,0,1]=4 133 B10R1.66 OC(=O)CSc1ccc[nH]1 Amb18644915 [0,0,0,0,0,0|3,0,1]=4 134 B10R1.66 OC(=O)\C=C/C1CCC=C1 Amb24426899 [0,0,0,0,0,0|2,0,2]=4 135 B10R1.66 OC(=O)\C=C/c1[nH]cc[n]1 Amb24562289 [0,0,0,0,0,0|3,0,0]=3 136 B10R1.66 OC(=O)\C=C/c1c[n]c[nH]1 Amb25069718 [0,0,0,0,0,0|3,0,0]=3 137 B10R1.66 OC(=O)\C=C/c1cscc1 Amb10071559 [0,0,0,0,0,0|3,0,0]=3 138 B10R1.66 OC(=O)\C=C\C1C=CCO1 Amb25709572 [0,0,0,0,0,0|1,0,2]=3 139 B10R1.66 OC(=O)\C=C\C1CCC=C1 Amb24560933 [0,0,0,0,0,0|2,0,2]=4 140 B10R1.66 OC(=O)\C=C\C=1C=NCN1 Amb25717013 [0,0,0,0,0,0|3,0,1]=4 141 B10R1.66 OC(=O)\C=C\C=1CCCC1 Amb18643237 [0,0,0,0,0,0|2,0,2]=4 142 B10R1.66 OC(=O)\C=C\[n]1cccc1 Amb18643139 [0,0,0,0,0,0|3,0,0]=3 143 B10R1.66 OC(=O)\C=C\c1c[nH][n]c1 Amb18955373 [0,0,0,0,0,0|4,0,0]=4 144 B10R1.66 OC(=O)\C=C\c1c[n][n][nH]1 Amb24707931 [0,0,0,0,0,0|4,0,0]=4 145 B10R1.66 OC(=O)\C=C\c1c[n][s][n]1 Amb18644786 [0,0,0,0,0,0|4,0,0]=4 146 B10R1.66 OC(=O)\C=C\c1c[n]c[s]1 Amb18255752 [0,0,0,0,0,0|2,1,0]=3 147 B10R1.66 OC(=O)\C=C\c1c[n]co1 Amb24696626 [0,0,0,0,0,0|2,0,0]=2 148 B10R1.66 OC(=O)\C=C\c1cc[nH][n]1 Amb25050852 [0,0,0,0,0,0|3,0,0]=3 149 B10R1.66 OC(=O)\C=C\c1cc[nH]c1 Amb18643122 [0,0,0,0,0,0|3,0,0]=3 150 B10R1.66 OC(=O)\C=C\c1cc[s][n]1 Amb24624065 [0,0,0,0,0,0|3,0,0]=3 151 B10R1.66 OC(=O)\C=C\c1ccc[nH]1 Amb18643136 [0,0,0,0,0,0|2,0,0]=2 152 B10R1.66 OC(=O)\C=C\c1coc[n]1 Amb24638306 [0,0,0,0,0,0|3,0,0]=3 153 B10R1.66 OC(=O)\C=C\c1cscc1 Amb1154295 [0,0,0,0,0,0|3,0,0]=3 154 B10R1.66 O[13C](=O)\[13CH]=[13CH]\c1c[n]c[nH]1 Amb19954840 [0,0,0,0,0,0|3,0,0]=3 155 B10R1.66 SC(=S)NCc1ccco1 Amb16231255 [0,0,0,0,0,0|2,1,1]=4 156 B10R1.66 [O-]C(=O)\C=C/c1ccco1 Amb22366386 [0,0,0,0,0,0|1,0,0]=1 157 B10R1.66 [O-]P(=O)CCc1ccco1 Amb19861305 [0,0,0,0,0,0|2,0,2]=4 158 B10R1.66 [O-][N+](=O)\C=C/c1ccco1 Amb21618923 [0,0,0,0,0,0|2,0,0]=2 159 B10R1.66 [O-][N+](=O)\C=C\c1[n]cc[s]1 Amb24106743 [0,0,0,0,0,0|3,1,0]=4 160 B10R1.66 [O-][N+](=O)\C=C\c1ccc[nH]1 Amb24667452 [0,0,0,0,0,0|3,0,0]=3 161 B10R1.66 [O-][N+](=O)\C=C\c1cccs1 Amb2519876 [0,0,0,0,0,0|2,1,0]=3 162 B10R1.66 [O-][N+](=O)\C=C\c1cocc1 Amb22643231 [0,0,0,0,0,0|4,0,0]=4 163 B9R1.12 C#C\C=C\c1ccco1 Amb24575226 [1,0,0,0,0,0|0,0,2]=3 164 B9R1.12 C=C/C=C/c1ccco1 Amb17939509 [1,0,0,0,0,0|0,0,1]=2 165 B9R1.12 C=COCc1ccco1 Amb24631898 [1,0,0,0,0,0|1,0,2]=4 166 B9R1.12 C=CSCc1ccco1 Amb24757008 [1,0,0,0,0,0|1,0,2]=4 167 B9R1.12 C=C\C=C\c1ccc[nH]1 Amb24514828 [1,0,0,0,0,0|1,0,1]=3 168 B9R1.12 CCCCc1ccco1 Amb10070290 [1,0,0,0,0,0|0,0,3]=4 169 B9R1.12 CCCSc1ccco1 Amb25249856 [1,0,0,0,0,0|1,0,2]=4 170 B9R1.12 CCNCc1ccco1 Amb1137312 [1,0,0,0,0,0|1,0,2]=4 171 B9R1.12 CCOCc1ccco1 Amb22234292 [1,0,0,0,0,0|1,0,2]=4 172 B9R1.12 CC\N=C\c1ccc[s]1 Amb24518706 [1,0,0,0,0,0|1,1,1]=4 173 B9R1.12 CN/N=C/c1ccc[nH]1 Amb17865990 [1,0,0,0,0,0|3,0,0]=4 174 B9R1.12 CN/N=C/c1ccco1 Amb17804206 [1,0,0,0,0,0|2,0,0]=3 175 B9R1.12 CNCCc1ccco1 Amb17399803 [1,0,0,0,0,0|1,0,2]=4 176 B9R1.12 COCCc1ccco1 Amb25147016 [1,0,0,0,0,0|1,0,2]=4 177 B9R1.12 COCOc1ccco1 Amb25312610 [1,0,0,0,0,0|2,0,1]=4 178 B9R1.12 CONCc1ccco1 Amb25760018 [1,0,0,0,0,0|2,0,1]=4 179 B9R1.12 CO\C=C\c1ccco1 Amb25208464 [1,0,0,0,0,0|1,0,0]=2 180 B9R1.12 CO\C=C\c1cocc1 Amb25349455 [1,0,0,0,0,0|3,0,0]=4 181 B9R1.12 CO\N=C\c1ccc[nH]1 Amb25781615 [1,0,0,0,0,0|3,0,0]=4 182 B9R1.12 CS\C=C\c1ccc[nH]1 Amb24629837 [1,0,0,0,0,0|2,0,0]=3 183 B9R1.12 C\C=C\C[n]1cccc1 Amb24375826 [1,0,0,0,0,0|2,0,1]=4 184 B9R1.12 C\C=C\Cc1c[nH]cc1 Amb25146026 [1,0,0,0,0,0|2,0,1]=4 185 B9R1.12 C\C=C\Cc1ccc[nH]1 Amb25243730 [1,0,0,0,0,0|1,0,1]=3 186 B9R1.12 C\C=C\Nc1[nH]cc[n]1 Amb25244773 [1,0,0,0,0,0|3,0,0]=4 187 B9R1.12 C\C=C\Sc1ccc[s]1 Amb24639360 [1,0,0,0,0,0|1,1,0]=3 188 B9R1.12 ClC\C=C\c1ccc[s]1 Amb25084944 [1,0,0,0,0,0|1,1,1]=4 189 B9R1.12 Cl\C=C\C=C1C=CC=C1 Amb25109347 [1,0,0,0,0,0|2,0,0]=3 190 B9R1.12 N#C\C=C\c1ccc[nH]1 Amb24529117 [1,0,0,0,0,0|2,0,1]=4 191 B9R1.12 N#C\C=C\c1ccco1 Amb16233571 [1,0,0,0,0,0|1,0,1]=3 192 B9R1.12 NC\C=C/c1ccco1 Amb25312822 [1,0,0,0,0,0|1,0,1]=3 193 B9R1.12 NC\C=C\c1ccc[s]1 Amb18563038 [1,0,0,0,0,0|1,1,1]=4 194 B9R1.12 NC\C=C\c1ccco1 Amb10560864 [1,0,0,0,0,0|1,0,1]=3 195 B9R1.12 O=CC#Cc1ccco1 Amb24546607 [1,0,0,0,0,0|0,0,2]=3 196 B9R1.12 O=CCCc1[n]cco1 Amb24511583 [1,0,0,0,0,0|1,0,2]=4 197 B9R1.12 O=CCCc1ccc[nH]1 Amb24760290 [1,0,0,0,0,0|1,0,2]=4 198 B9R1.12 O=CCCc1ccco1 Amb17081672 [1,0,0,0,0,0|0,0,2]=3 199 B9R1.12 O=CCCc1cccs1 Amb17081673 [1,0,0,0,0,0|0,1,2]=4 200 B9R1.12 O=CCSc1[n]cco1 Amb24599824 [1,0,0,0,0,0|2,0,1]=4 201 B9R1.12 O=CCSc1cccs1 Amb17082929 [1,0,0,0,0,0|1,1,1]=4 202 B9R1.12 O=C\C=C/[n]1c[n]cc1 Amb25724281 [1,0,0,0,0,0|3,0,0]=4 203 B9R1.12 O=C\C=C\C=1CCCC1 Amb25302373 [1,0,0,0,0,0|1,0,2]=4 204 B9R1.12 O=C\C=C\[n]1c[n]c[n]1 Amb18642091 [1,0,0,0,0,0|3,0,0]=4 205 B9R1.12 O=C\C=C\[n]1c[n]cc1 Amb18642042 [1,0,0,0,0,0|3,0,0]=4 206 B9R1.12 O=C\C=C\[n]1cc[n][n]1 Amb18642090 [1,0,0,0,0,0|3,0,0]=4 207 B9R1.12 O=C\C=C\[n]1ccc[n]1 Amb18642043 [1,0,0,0,0,0|2,0,0]=3 208 B9R1.12 O=C\C=C\c1[n]cc[s]1 Amb24481641 [1,0,0,0,0,0|1,1,0]=3 209 B9R1.12 O=C\C=C\c1c[nH]c[n]1 Amb24558793 [1,0,0,0,0,0|2,0,0]=3 210 B9R1.12 O=C\C=C\c1c[s]c[n]1 Amb25299918 [1,0,0,0,0,0|2,0,0]=3 211 B9R1.12 O=C\C=C\c1c[s]cc1 Amb18643292 [1,0,0,0,0,0|2,0,0]=3 212 B9R1.12 O=C\C=C\c1cc[n]o1 Amb25325051 [1,0,0,0,0,0|1,0,0]=2 213 B9R1.12 O=C\C=C\c1ccc[nH]1 Amb18641995 [1,0,0,0,0,0|1,0,0]=2 214 B9R1.12 O=C\C=C\c1cccs1 Amb17334164 [1,0,0,0,0,0|0,1,0]=2 215 B9R1.12 O=C\C=C\c1coc[n]1 Amb24628925 [1,0,0,0,0,0|2,0,0]=3 216 B9R1.12 O=C\C=C\c1cocc1 Amb18124288 [1,0,0,0,0,0|2,0,0]=3 217 B9R1.12 O=NSCc1ccco1 Amb25806081 [1,0,0,0,0,0|2,0,1]=4 218 B9R1.12 OC\C=C/c1ccc[nH]1 Amb24744418 [1,0,0,0,0,0|1,0,2]=4 219 B9R1.12 OC\C=C\c1cc[n]o1 Amb25847068 [1,0,0,0,0,0|1,0,2]=4 220 B9R1.12 OC\C=C\c1ccc[nH]1 Amb25090739 [1,0,0,0,0,0|1,0,2]=4 221 B9R1.12 OC\C=C\c1ccc[s]1 Amb23555588 [1,0,0,0,0,0|0,1,2]=4 222 B9R1.12 S=COCc1ccco1 Amb16232453 [1,0,0,0,0,0|1,1,1]=4 223 B11R1.25 BrCC(=O)NCc1ccco1 Amb2221075 [0,1,0,0,0,0|1,0,1]=3 224 B11R1.25 BrCC(=O)NCc1cccs1 Amb2089070 [0,1,0,0,0,0|1,1,1]=4 225 B11R1.25 C#CC(=O)CCc1ccco1 Amb25688728 [0,1,0,0,0,0|0,0,3]=4 226 B11R1.25 C#CC(=O)NCc1ccco1 Amb25056562 [0,1,0,0,0,0|1,0,2]=4 227 B11R1.25 C#CC(=O)\C=C\c1ccc[s]1 Amb25713572 [0,1,0,0,0,0|0,1,1]=3 228 B11R1.25 C=CC(O)\C=C\c1ccco1 Amb24527539 [0,1,0,0,0,0|0,0,3]=4 229 B11R1.25 CC(C=O)\C=C\c1ccco1 Amb18125137 [0,1,0,0,0,0|0,0,1]=2 230 B11R1.25 CCC(=N)NCc1ccco1 Amb25140561 [0,1,0,0,0,0|2,0,1]=4 231 B11R1.25 CCC(=O)/C=C/c1cccs1 Amb17864533 [0,1,0,0,0,0|0,1,0]=2 232 B11R1.25 CCC(=O)CCc1ccco1 Amb18177203 [0,1,0,0,0,0|0,0,2]=3 233 B11R1.25 CCC(=O)CSc1[n]cco1 Amb24751271 [0,1,0,0,0,0|2,0,1]=4 234 B11R1.25 CCC(=O)CSc1ccc[s]1 Amb19075945 [0,1,0,0,0,0|1,1,1]=4 235 B11R1.25 CCC(=O)NCc1cc[n]o1 Amb25728135 [0,1,0,0,0,0|2,0,1]=4 236 B11R1.25 CCC(=O)NCc1ccc[nH]1 Amb24613239 [0,1,0,0,0,0|2,0,1]=4 237 B11R1.25 CCC(=O)OCc1cc[n]o1 Amb24755840 [0,1,0,0,0,0|2,0,1]=4 238 B11R1.25 CCC(=O)OCc1ccc[s]1 Amb24755816 [0,1,0,0,0,0|1,1,1]=4 239 B11R1.25 CCC(=O)OCc1ccco1 Amb22363125 [0,1,0,0,0,0|1,0,1]=3 240 B11R1.25 CCC(=O)\C=C\c1ccc[nH]1 Amb22339563 [0,1,0,0,0,0|1,0,0]=2 241 B11R1.25 CCC(=O)\C=C\c1ccco1 Amb25233726 [0,1,0,0,0,0|0,0,0]=1 242 B11R1.25 CCC(O)\C=C\c1ccco1 Amb25356220 [0,1,0,0,0,0|0,0,2]=3 243 B11R1.25 CC[C@@H](O)\C=C\c1ccco1 Amb25788099 [0,1,0,0,0,0|0,0,2]=3 244 B11R1.25 CNC(=N)NCc1ccco1 Amb18181789 [0,1,0,0,0,0|2,0,1]=4 245 B11R1.25 CNC(=O)CSc1ccc[s]1 Amb25727940 [0,1,0,0,0,0|1,1,1]=4 246 B11R1.25 CNC(=O)NCc1cc[n]o1 Amb25682017 [0,1,0,0,0,0|2,0,1]=4 247 B11R1.25 CNC(=O)NCc1ccco1 Amb2132772 [0,1,0,0,0,0|1,0,1]=3 248 B11R1.25 CNC(=O)NCc1cccs1 Amb2132771 [0,1,0,0,0,0|1,1,1]=4 249 B11R1.25 CNC(=O)\C=C\c1c[n]c[nH]1 Amb24394568 [0,1,0,0,0,0|2,0,0]=3 250 B11R1.25 CNC(=O)\C=C\c1c[n]c[s]1 Amb25262176 [0,1,0,0,0,0|1,1,0]=3 251 B11R1.25 CNC(=O)\C=C\c1c[s]c[n]1 Amb25838289 [0,1,0,0,0,0|2,0,0]=3 252 B11R1.25 CNC(=S)\C=C\c1ccco1 Amb24399981 [0,1,0,0,0,0|0,1,0]=2 253 B11R1.25 CNC(C)\C=C\c1ccc[nH]1 Amb25826811 [0,1,0,0,0,0|2,0,1]=4 254 B11R1.25 CNC(C)\C=C\c1ccc[s]1 Amb25828876 [0,1,0,0,0,0|1,1,1]=4 255 B11R1.25 CNC(C)\C=C\c1ccco1 Amb25826647 [0,1,0,0,0,0|1,0,1]=3 256 B11R1.25 COC(=N)CCc1ccco1 Amb18065394 [0,1,0,0,0,0|1,0,2]=4 257 B11R1.25 COC(=O)CCc1cc[n]o1 Amb24762935 [0,1,0,0,0,0|1,0,2]=4 258 B11R1.25 COC(=O)CCc1ccc[nH]1 Amb17617751 [0,1,0,0,0,0|1,0,2]=4 259 B11R1.25 COC(=O)CSc1[n]cco1 Amb24751292 [0,1,0,0,0,0|2,0,1]=4 260 B11R1.25 COC(=O)NCc1cccs1 Amb17793916 [0,1,0,0,0,0|1,1,1]=4 261 B11R1.25 COC(=O)\C=C/c1cccs1 Amb10069647 [0,1,0,0,0,0|0,1,0]=2 262 B11R1.25 COC(=O)\C=C\C=1CCCC1 Amb24392864 [0,1,0,0,0,0|1,0,2]=4 263 B11R1.25 COC(=O)\C=C\N1CC=CC1 Amb24680357 [0,1,0,0,0,0|2,0,1]=4 264 B11R1.25 COC(=O)\C=C\c1[n]cc[s]1 Amb25758463 [0,1,0,0,0,0|1,1,0]=3 265 B11R1.25 COC(=O)\C=C\c1c[nH][n]c1 Amb25089344 [0,1,0,0,0,0|3,0,0]=4 266 B11R1.25 COC(=O)\C=C\c1c[nH]cn1 Amb10569688 [0,1,0,0,0,0|2,0,0]=3 267 B11R1.25 COC(=O)\C=C\c1c[n][n][nH]1 Amb24759346 [0,1,0,0,0,0|3,0,0]=4 268 B11R1.25 COC(=O)\C=C\c1c[n]co1 Amb24566780 [0,1,0,0,0,0|1,0,0]=2 269 B11R1.25 COC(=O)\C=C\c1c[s]c[n]1 Amb24409150 [0,1,0,0,0,0|2,0,0]=3 270 B11R1.25 COC(=O)\C=C\c1cc[nH]c1 Amb21962731 [0,1,0,0,0,0|2,0,0]=3 271 B11R1.25 COC(=O)\C=C\c1ccc[nH]1 Amb22728583 [0,1,0,0,0,0|1,0,0]=2 272 B11R1.25 COC(=O)\C=C\c1cnc[nH]1 Amb17617955 [0,1,0,0,0,0|2,0,0]=3 273 B11R1.25 COC(=O)\C=C\c1coc[n]1 Amb25208802 [0,1,0,0,0,0|2,0,0]=3 274 B11R1.25 COC(=O)\C=C\c1cocc1 Amb24418960 [0,1,0,0,0,0|2,0,0]=3 275 B11R1.25 COC(O)\C=C\c1cc[n]o1 Amb25740652 [0,1,0,0,0,0|1,0,2]=4 276 B11R1.25 CSC(=N)NCc1ccco1 Amb25242629 [0,1,0,0,0,0|2,0,1]=4 277 B11R1.25 C[C@H](C=O)\C=C\c1ccco1 Amb25370771 [0,1,0,0,0,0|0,0,1]=2 278 B11R1.25 C[C@H](CO)\C=C\c1ccco1 Amb25257152 [0,1,0,0,0,0|0,0,2]=3 279 B11R1.25 C\C(\CCc1ccco1)=N/O Amb19888637 [0,1,0,0,0,0|0,0,3]=4 280 B11R1.25 C\C(\CN)=C\Cc1ccc[s]1 Amb25149333 [0,1,0,0,0,0|1,1,1]=4 281 B11R1.25 C\C(\CO)=C/Cc1ccco1 Amb24579386 [0,1,0,0,0,0|0,0,2]=3 282 B11R1.25 C\C(\CO)=C\Cc1ccco1 Amb25322406 [0,1,0,0,0,0|0,0,2]=3 283 B11R1.25 C\C(\NCc1ccco1)=N\C Amb25096344 [0,1,0,0,0,0|2,0,1]=4 284 B11R1.25 ClCC(=O)CCc1cccs1 Amb17139224 [0,1,0,0,0,0|0,1,2]=4 285 B11R1.25 ClCC(=O)NCc1cccs1 Amb1149817 [0,1,0,0,0,0|1,1,1]=4 286 B11R1.25 N#CC(=O)\C=C\c1ccc[s]1 Amb24372667 [0,1,0,0,0,0|0,1,1]=3 287 B11R1.25 N#CC(=O)\C=C\c1ccoc1 Amb24584402 [0,1,0,0,0,0|2,0,1]=4 288 B11R1.25 N=C(\C=C\c1ccco1)NO Amb24567617 [0,1,0,0,0,0|1,0,1]=3 289 B11R1.25 NCC(=O)CCc1ccc[s]1 Amb18563911 [0,1,0,0,0,0|0,1,2]=4 290 B11R1.25 NCC(=O)NCc1ccco1 Amb10609039 [0,1,0,0,0,0|1,0,1]=3 291 B11R1.25 NCC(=O)OCc1ccc[s]1 Amb19017823 [0,1,0,0,0,0|1,1,1]=4 292 B11R1.25 NCC(O)\C=C\c1ccc[s]1 Amb24558438 [0,1,0,0,0,0|0,1,2]=4 293 B11R1.25 NCC(O)\C=C\c1ccco1 Amb25202167 [0,1,0,0,0,0|0,0,2]=3 294 B11R1.25 NNC(=O)\C=C\c1c[nH]c[n]1 Amb24745746 [0,1,0,0,0,0|3,0,0]=4 295 B11R1.25 NNC(=O)\C=C\c1c[s]c[n]1 Amb24633040 [0,1,0,0,0,0|3,0,0]=4 296 B11R1.25 NNC(=O)\C=C\c1cc[s]c1 Amb24686157 [0,1,0,0,0,0|3,0,0]=4 297 B11R1.25 NNC(=O)\C=C\c1ccco1 Amb10571401 [0,1,0,0,0,0|1,0,0]=2 298 B11R1.25 NNC(=O)\C=C\c1cccs1 Amb10571402 [0,1,0,0,0,0|1,1,0]=3 299 B11R1.25 N\C(\C=C/c1ccc[s]1)=N\O Amb25806201 [0,1,0,0,0,0|1,1,1]=4 300 B11R1.25 O=C(CBr)CCc1ccco1 Amb25379922 [0,1,0,0,0,0|0,0,2]=3 301 B11R1.25 O=C(CBr)\C=C\c1ccco1 Amb24557173 [0,1,0,0,0,0|0,0,0]=1 302 B11R1.25 O=C(CCl)OCc1ccco1 Amb22347137 [0,1,0,0,0,0|1,0,1]=3 303 B11R1.25 O=C(CCl)\C=C\c1cc[nH]c1 Amb24673920 [0,1,0,0,0,0|2,0,0]=3 304 B11R1.25 O=C(CCl)\C=C\c1ccc[nH]1 Amb24485870 [0,1,0,0,0,0|1,0,0]=2 305 B11R1.25 O=C(CCl)\C=N\c1[n]cc[s]1 Amb25234235 [0,1,0,0,0,0|2,1,0]=4 306 B11R1.25 O=C(CF)\C=C\c1ccco1 Amb25205838 [0,1,0,0,0,0|0,0,0]=1 307 B11R1.25 O=C(CI)NCc1ccc[s]1 Amb25151270 [0,1,0,0,0,0|1,1,1]=4 308 B11R1.25 O=C(CS)NCc1cc[n]o1 Amb25151926 [0,1,0,0,0,0|2,0,1]=4 309 B11R1.25 O=C(\C=C\c1ccc[s]1)C=O Amb25833416 [0,1,0,0,0,0|0,1,1]=3 310 B11R1.25 OC(CCl)\C=C\c1ccc[s]1 Amb25680671 [0,1,0,0,0,0|0,1,2]=4 311 B11R1.25 OCC(=O)CCc1ccc[s]1 Amb18563930 [0,1,0,0,0,0|0,1,2]=4 312 B11R1.25 OCC(=O)CCc1ccco1 Amb18065408 [0,1,0,0,0,0|0,0,2]=3 313 B11R1.25 OCC(=O)NCc1cccs1 Amb1110201 [0,1,0,0,0,0|1,1,1]=4 314 B11R1.25 OCC(=O)\C=C\C=1CCCC1 Amb24486442 [0,1,0,0,0,0|1,0,2]=4 315 B11R1.25 OCC(=O)\C=C\c1ccco1 Amb25728855 [0,1,0,0,0,0|0,0,0]=1 316 B11R1.25 ONC(=O)\C=C\c1cc[s]c1 Amb24370832 [0,1,0,0,0,0|3,0,0]=4 317 B11R1.25 ONC(=O)\C=C\c1ccc[nH]1 Amb25222105 [0,1,0,0,0,0|2,0,0]=3 318 B11R1.35 C=C(Cc1ccc[s]1)C(O)=O Amb24558176 [0,1,0,0,0,0|1,1,1]=4 319 B11R1.35 CC(=C)C(=O)Cc1ccc[s]1 Amb25801387 [0,1,0,0,0,0|1,1,1]=4 320 B11R1.35 CC(=C)C(=O)Cc1ccco1 Amb24486373 [0,1,0,0,0,0|1,0,1]=3 321 B11R1.35 CC(=Cc1c[n]c[s]1)C(C)=O Amb25779657 [0,1,0,0,0,0|1,1,0]=3 322 B11R1.35 CC(=O)C(=O)Cc1ccc[s]1 Amb24456858 [0,1,0,0,0,0|0,1,1]=3 323 B11R1.35 CC(=O)C(=O)Cc1ccco1 Amb25177671 [0,1,0,0,0,0|0,0,1]=2 324 B11R1.35 CC(=O)C(C)Cc1ccc[s]1 Amb18180158 [0,1,0,0,0,0|0,1,2]=4 325 B11R1.35 CC(=O)C(C)Sc1[n]cco1 Amb25135800 [0,1,0,0,0,0|2,0,1]=4 326 B11R1.35 CC(=O)C(Cc1cccs1)Br Amb17507811 [0,1,0,0,0,0|0,1,2]=4 327 B11R1.35 CC(=O)C(Cc1cccs1)Cl Amb17507765 [0,1,0,0,0,0|0,1,2]=4 328 B11R1.35 CC(=O)N(C)Cc1ccc[s]1 Amb25140058 [0,1,0,0,0,0|1,1,1]=4 329 B11R1.35 CC(=O)[C@H](C)Cc1ccco1 Amb25334926 [0,1,0,0,0,0|0,0,2]=3 330 B11R1.35 CC(=O)\C(=C\c1ccc[nH]1)\C Amb17593713 [0,1,0,0,0,0|1,0,0]=2 331 B11R1.35 CC(=O)\C(\O)=C\c1ccco1 Amb25804329 [0,1,0,0,0,0|0,0,0]=1 332 B11R1.35 CC(Cc1ccco1)C(C)=O Amb17939894 [0,1,0,0,0,0|0,0,2]=3 333 B11R1.35 CC(Nc1ccco1)C(O)=O Amb25027900 [0,1,0,0,0,0|2,0,1]=4 334 B11R1.35 CN(C)C(=O)Cc1ccco1 Amb25205570 [0,1,0,0,0,0|2,0,1]=4 335 B11R1.35 CS(=O)\C(\Cl)=C\c1ccc[s]1 Amb24309139 [0,1,0,0,0,0|1,1,0]=3 336 B11R1.35 C\C(=C/c1[nH]cc[n]1)\C(O)=O Amb25111998 [0,1,0,0,0,0|3,0,0]=4 337 B11R1.35 C\C(=C/c1[n]cc[s]1)\C(C)=O Amb24374283 [0,1,0,0,0,0|1,1,0]=3 338 B11R1.35 C\C(=C/c1[n]cc[s]1)\C(O)=O Amb25169455 [0,1,0,0,0,0|2,1,0]=4 339 B11R1.35 C\C(=C/c1c[nH]cc1)\C(C)=O Amb25149362 [0,1,0,0,0,0|2,0,0]=3 340 B11R1.35 C\C(=C/c1c[s]cc1)\C(C)=O Amb24434611 [0,1,0,0,0,0|2,0,0]=3 341 B11R1.35 C\C(=C/c1ccc[nH]1)\C(C)Cl Amb25734670 [0,1,0,0,0,0|2,0,1]=4 342 B11R1.35 C\C(=C/c1ccc[nH]1)\C(C)N Amb25826733 [0,1,0,0,0,0|2,0,1]=4 343 B11R1.35 C\C(=C/c1ccc[s]1)\C(C)=O Amb24415766 [0,1,0,0,0,0|0,1,0]=2 344 B11R1.35 C\C(=C/c1ccc[s]1)\C(C)O Amb25672047 [0,1,0,0,0,0|0,1,2]=4 345 B11R1.35 C\C(=C/c1ccco1)\C(C)=O Amb24641486 [0,1,0,0,0,0|0,0,0]=1 346 B11R1.35 C\C(=C/c1ccco1)\C(C)Br Amb24751740 [0,1,0,0,0,0|1,0,1]=3 347 B11R1.35 C\C(=C/c1ccco1)\C(C)Cl Amb24387315 [0,1,0,0,0,0|1,0,1]=3 348 B11R1.35 C\C(=C/c1ccco1)\C(C)N Amb24744261 [0,1,0,0,0,0|1,0,1]=3 349 B11R1.35 C\C(=C/c1ccco1)\C(C)O Amb25377465 [0,1,0,0,0,0|0,0,2]=3 350 B11R1.35 C\C(=C/c1ccco1)\C(N)=N Amb25273172 [0,1,0,0,0,0|2,0,0]=3 351 B11R1.35 C\C(=C\c1ccc[s]1)\C(C)=O Amb25807425 [0,1,0,0,0,0|0,1,0]=2 352 B11R1.35 C\C(=C\c1ccc[s]1)\C(O)=O Amb25273294 [0,1,0,0,0,0|1,1,0]=3 353 B11R1.35 C\C(=C\c1ccco1)\C(N)=O Amb25233447 [0,1,0,0,0,0|1,0,0]=2 354 B11R1.35 C\C(=C\c1ccoc1)\C(O)=O Amb25829028 [0,1,0,0,0,0|3,0,0]=4 355 B11R1.35 NC(=Cc1c[s]c[n]1)C(O)=O Amb25767684 [0,1,0,0,0,0|3,0,0]=4 356 B11R1.35 NC(=O)N(O)Cc1ccco1 Amb25774514 [0,1,0,0,0,0|2,0,1]=4 357 B11R1.35 N\C(=C\c1cc[nH][n]1)\C(O)=O Amb25132613 [0,1,0,0,0,0|3,0,0]=4 358 B11R1.35 N\C(=C\c1cc[s]c1)\C(O)=O Amb24729838 [0,1,0,0,0,0|3,0,0]=4 359 B11R1.35 N\C(=C\c1ccc[nH]1)\C(O)=O Amb24438740 [0,1,0,0,0,0|2,0,0]=3 360 B11R1.35 N\C(=C\c1ccoc1)\C(O)=O Amb24549139 [0,1,0,0,0,0|3,0,0]=4 361 B11R1.35 OC(=O)C(=O)Cc1ccco1 Amb1137668 [0,1,0,0,0,0|1,0,1]=3 362 B11R1.35 OC(=O)C(=O)Cc1cccs1 Amb1135982 [0,1,0,0,0,0|1,1,1]=4 363 B11R1.35 OC(=O)C(=S)Cc1ccc[s]1 Amb22472986 [0,1,0,0,0,0|1,1,1]=4 364 B11R1.35 OC(=O)C(Cc1ccco1)O Amb17138461 [0,1,0,0,0,0|1,0,2]=4 365 B11R1.35 OC(=O)C(F)Cc1ccco1 Amb25042990 [0,1,0,0,0,0|1,0,2]=4 366 B11R1.35 OC(=O)C(S)Cc1ccco1 Amb18968270 [0,1,0,0,0,0|1,0,2]=4 367 B11R1.35 OC(=O)[C@@H](Cc1ccco1)N Amb10068215 [0,1,0,0,0,0|1,0,2]=4 368 B11R1.35 OC(=O)[C@H](Cc1ccco1)N Amb10068214 [0,1,0,0,0,0|1,0,2]=4 369 B11R1.35 OC(=O)\C(\Br)=C\c1ccco1 Amb25827160 [0,1,0,0,0,0|1,0,0]=2 370 B11R1.35 OC(=O)\C(\Cl)=C\c1ccc[s]1 Amb24511927 [0,1,0,0,0,0|1,1,0]=3 371 B11R1.35 OC(=O)\C(\F)=C\c1cc[nH]c1 Amb25859294 [0,1,0,0,0,0|3,0,0]=4 372 B11R1.35 OC(=O)\C(\F)=C\c1cc[s]c1 Amb24725504 [0,1,0,0,0,0|3,0,0]=4 373 B11R1.35 OC(=O)\C(\F)=C\c1ccc[nH]1 Amb25735919 [0,1,0,0,0,0|2,0,0]=3 374 B11R1.35 OC(=O)\C(\S)=C\c1cc[s]c1 Amb25172800 [0,1,0,0,0,0|3,0,0]=4 375 B11R1.35 OC(=O)\C(\S)=C\c1ccc[nH]1 Amb25238397 [0,1,0,0,0,0|2,0,0]=3 376 B11R1.35 OC(=O)\C(\S)=C\c1ccc[s]1 Amb18649398 [0,1,0,0,0,0|1,1,0]=3 377 B11R1.75 CC(=O)C#Cc1ccc(Br)o1 Amb24743861 [0,1,0,0,0,0|0,0,2]=3 378 B11R1.75 CC(=O)CCC1=CCC(=O)O1 Amb25059677 [0,1,0,0,0,0|0,0,3]=4 379 B11R1.75 CC(=O)CCC1C=CC(=O)O1 Amb25143549 [0,1,0,0,0,0|0,0,3]=4 380 B11R1.75 CC(=O)CCc1cc(Br)c[s]1 Amb24533193 [0,1,0,0,0,0|0,1,2]=4 381 B11R1.75 CC(=O)CCc1ccc(Br)o1 Amb25358774 [0,1,0,0,0,0|0,0,2]=3 382 B11R1.75 CC(=O)C\C=C/1\CC(=O)C=C1 Amb25282699 [0,1,0,0,0,0|1,0,1]=3 383 B11R1.75 CC(=O)C\C=C\1/CC(=O)C=C1 Amb24422363 [0,1,0,0,0,0|1,0,1]=3 384 B11R1.75 CC(=O)NCc1cc(=O)[nH]o1 Amb24072943 [0,1,0,0,0,0|2,0,1]=4 385 B11R1.75 CC(=O)NCc1cc(Br)[n]o1 Amb23449501 [0,1,0,0,0,0|2,0,1]=4 386 B11R1.75 CC(=O)NCc1cc(Br)c[s]1 Amb25059049 [0,1,0,0,0,0|1,1,1]=4 387 B11R1.75 CC(=O)NCc1ccc(s1)Br Amb14004357 [0,1,0,0,0,0|1,1,1]=4 388 B11R1.75 CC(=O)OCC1C=CC(=O)O1 Amb24424037 [0,1,0,0,0,0|1,0,2]=4 389 B11R1.75 CC(=O)OC[C@@H]1C=CC(=O)O1 Amb24709308 [0,1,0,0,0,0|1,0,2]=4 390 B11R1.75 CC(=O)SCc1cc(cs1)Br Amb13890443 [0,1,0,0,0,0|1,1,1]=4 391 B11R1.75 CC(=O)\C=C\c1c[n](C)c[n]1 Amb24486360 [0,1,0,0,0,0|2,0,0]=3 392 B11R1.75 CC(=O)\C=C\c1c[n][n](C)[n]1 Amb25809593 [0,1,0,0,0,0|3,0,0]=4 393 B11R1.75 CC(=O)\C=C\c1c[s]c(Br)c1 Amb25832978 [0,1,0,0,0,0|2,0,0]=3 394 B11R1.75 CC(=O)\C=C\c1ccc(Br)[s]1 Amb25138078 [0,1,0,0,0,0|0,1,0]=2 395 B11R1.75 CC(=O)\C=C\c1ccc(Br)o1 Amb25830508 [0,1,0,0,0,0|0,0,0]=1 396 B11R1.75 CC(=O)\C=C\c1ccc(Cl)[s]1 Amb25830510 [0,1,0,0,0,0|0,1,0]=2 397 B11R1.75 CC(Br)\C=C\c1cc(Cl)c[s]1 Amb25150462 [0,1,0,0,0,0|1,1,1]=4 398 B11R1.75 CC(Br)\C=C\c1ccc(Br)[s]1 Amb25150527 [0,1,0,0,0,0|1,1,1]=4 399 B11R1.75 CC(Cl)\C=C\c1cc(Cl)c[s]1 Amb25328227 [0,1,0,0,0,0|1,1,1]=4 400 B11R1.75 CC(Cl)\C=C\c1ccc(Br)o1 Amb24745264 [0,1,0,0,0,0|1,0,1]=3 401 B11R1.75 CC(Cl)\C=C\c1ccc(Cl)[s]1 Amb25150523 [0,1,0,0,0,0|1,1,1]=4 402 B11R1.75 CC(N)\C=C\c1cc(Br)c[s]1 Amb24528997 [0,1,0,0,0,0|1,1,1]=4 403 B11R1.75 CC(N)\C=C\c1cc(Cl)c[s]1 Amb25798059 [0,1,0,0,0,0|1,1,1]=4 404 B11R1.75 CC(N)\C=C\c1ccc(Br)o1 Amb25149373 [0,1,0,0,0,0|1,0,1]=3 405 B11R1.75 CC(N)\C=C\c1ccc(Cl)[s]1 Amb25731769 [0,1,0,0,0,0|1,1,1]=4 406 B11R1.75 CC(N)\C=C\c1ccc(Cl)o1 Amb24400158 [0,1,0,0,0,0|1,0,1]=3 407 B11R1.75 CC(O)\C=C\c1ccc(Br)[s]1 Amb24487018 [0,1,0,0,0,0|0,1,2]=4 408 B11R1.75 CC(O)\C=C\c1ccc(Br)o1 Amb25057093 [0,1,0,0,0,0|0,0,2]=3 409 B11R1.75 CN(C)/N=C/c1ccc(C)o1 Amb17867945 [0,1,0,0,0,0|3,0,0]=4 410 B11R1.75 C[n]1cc(\C=C\C(O)=O)[n]c1 Amb18125373 [0,1,0,0,0,0|3,0,0]=4 411 B11R1.75 C[n]1cc(\C=C\C(O)=O)cc1 Amb18243516 [0,1,0,0,0,0|3,0,0]=4 412 B11R1.75 Cc1[nH]cc(\C=C\C(N)=O)[n]1 Amb24553055 [0,1,0,0,0,0|3,0,0]=4 413 B11R1.75 Cc1[n][n]c(\C=C\C(O)=O)o1 Amb18065407 [0,1,0,0,0,0|3,0,0]=4 414 B11R1.75 Cc1[n]c(c[s]1)\C=C\C(C)=O Amb24432163 [0,1,0,0,0,0|2,0,0]=3 415 B11R1.75 Cc1[n]cc(CNC(C)=O)o1 Amb24764072 [0,1,0,0,0,0|2,0,1]=4 416 B11R1.75 Cc1[n]cc(\C=C\C(C)=O)[s]1 Amb25148978 [0,1,0,0,0,0|1,1,0]=3 417 B11R1.75 Cc1[n]cc(\C=C\C(N)=O)[s]1 Amb24631793 [0,1,0,0,0,0|2,1,0]=4 418 B11R1.75 Cc1[n]cc(\C=C\C(O)=O)[s]1 Amb18255512 [0,1,0,0,0,0|2,1,0]=4 419 B11R1.75 Cc1[n]cc(\C=C\C(O)=O)o1 Amb24566781 [0,1,0,0,0,0|2,0,0]=3 420 B11R1.75 Cc1c[n]c(CCC(C)=O)o1 Amb18201112 [0,1,0,0,0,0|1,0,2]=4 421 B11R1.75 Cc1c[n]c(COC(C)=O)o1 Amb22284643 [0,1,0,0,0,0|2,0,1]=4 422 B11R1.75 Cc1c[n]c(\C=C\C(O)=O)[s]1 Amb24626453 [0,1,0,0,0,0|2,1,0]=4 423 B11R1.75 Cc1c[s]c(\C=C\C(N)=O)[n]1 Amb25789434 [0,1,0,0,0,0|2,1,0]=4 424 B11R1.75 Cc1cc(CNC(C)=O)o[n]1 Amb24627613 [0,1,0,0,0,0|2,0,1]=4 425 B11R1.75 Cc1cc(NNC(C)=O)o[n]1 Amb24072212 [0,1,0,0,0,0|3,0,0]=4 426 B11R1.75 Cc1cc(\C=C/C(N)=O)[nH][n]1 Amb25698251 [0,1,0,0,0,0|3,0,0]=4 427 B11R1.75 Cc1cc(\C=C/C(O)=O)[n]o1 Amb24709346 [0,1,0,0,0,0|3,0,0]=4 428 B11R1.75 Cc1cc(\C=C/C(O)=O)o[n]1 Amb25134186 [0,1,0,0,0,0|2,0,0]=3 429 B11R1.75 Cc1cc(\C=C\C(C)O)o[n]1 Amb25717109 [0,1,0,0,0,0|1,0,2]=4 430 B11R1.75 Cc1cc(\C=C\C(N)=O)[n]o1 Amb24595510 [0,1,0,0,0,0|3,0,0]=4 431 B11R1.75 Cc1cc(\C=C\C(O)=O)[n]o1 Amb18125519 [0,1,0,0,0,0|3,0,0]=4 432 B11R1.75 Cc1cc(\C=C\C(O)=O)[s]c1 Amb25027892 [0,1,0,0,0,0|1,1,0]=3 433 B11R1.75 Cc1cc(\C=C\C(O)=O)c[s]1 Amb25300336 [0,1,0,0,0,0|3,0,0]=4 434 B11R1.75 Cc1cc(\C=C\C(O)=O)o[n]1 Amb18125518 [0,1,0,0,0,0|2,0,0]=3 435 B11R1.75 Cc1cc(\C=C\[N+]([O-])=O)o[n]1 Amb24687455 [0,1,0,0,0,0|3,0,0]=4 436 B11R1.75 Cc1cc[n](\C=C\C(C)=O)[n]1 Amb24623565 [0,1,0,0,0,0|2,0,0]=3 437 B11R1.75 Cc1ccc(C#CC(O)=O)o1 Amb25361971 [0,1,0,0,0,0|1,0,2]=4 438 B11R1.75 Cc1ccc(CNC(C)=N)o1 Amb24477664 [0,1,0,0,0,0|2,0,1]=4 439 B11R1.75 Cc1ccc(CNC(N)=O)o1 Amb18182902 [0,1,0,0,0,0|2,0,1]=4 440 B11R1.75 Cc1ccc(COC(C)=O)[s]1 Amb25788560 [0,1,0,0,0,0|1,1,1]=4 441 B11R1.75 Cc1ccc(COC(C)=O)o1 Amb25072722 [0,1,0,0,0,0|1,0,1]=3 442 B11R1.75 Cc1ccc(\C=C\C(C)Cl)[s]1 Amb25150524 [0,1,0,0,0,0|1,1,1]=4 443 B11R1.75 Cc1ccc(\C=C\C(C)N)o1 Amb25804727 [0,1,0,0,0,0|1,0,1]=3 444 B11R1.75 Cc1ccc(\C=C\C(C)O)[s]1 Amb25307004 [0,1,0,0,0,0|0,1,2]=4 445 B11R1.75 Cc1ccc(\C=C\C(O)=O)[nH]1 Amb25048467 [0,1,0,0,0,0|2,0,0]=3 446 B11R1.75 Cc1ccc(o1)\C=C\C(=O)Cl Amb16230249 [0,1,0,0,0,0|1,0,0]=2 447 B11R1.75 Cc1coc(COC(C)=S)c1 Amb25121246 [0,1,0,0,0,0|1,1,1]=4 448 B11R1.75 Cc1coc(\C=C\C(N)=O)[n]1 Amb25052703 [0,1,0,0,0,0|2,0,0]=3 449 B11R1.75 NC(=O)NCc1ccc(Cl)o1 Amb24485019 [0,1,0,0,0,0|2,0,1]=4 450 B11R1.75 NC(=O)\C=C\c1c[n]c(Cl)[s]1 Amb25132401 [0,1,0,0,0,0|2,1,0]=4 451 B11R1.75 NC(=O)\C=C\c1c[s]c(Br)c1 Amb25163119 [0,1,0,0,0,0|3,0,0]=4 452 B11R1.75 NC(=O)\C=C\c1cc(Br)co1 Amb25123308 [0,1,0,0,0,0|1,0,0]=2 453 B11R1.75 NC(=O)\C=C\c1ccc(I)o1 Amb25051573 [0,1,0,0,0,0|1,0,0]=2 454 B11R1.75 O=C(Cl)\C=C\c1ccc(Cl)[s]1 Amb25149043 [0,1,0,0,0,0|1,1,0]=3 455 B11R1.75 OC(=O)C#Cc1ccc(Cl)o1 Amb25320978 [0,1,0,0,0,0|1,0,2]=4 456 B11R1.75 OC(=O)CCc1cc(Cl)co1 Amb23537476 [0,1,0,0,0,0|1,0,2]=4 457 B11R1.75 OC(=O)CCc1ccc(S)o1 Amb24519112 [0,1,0,0,0,0|1,0,2]=4 458 B11R1.75 OC(=O)\C=C/N1C=CC(=O)N1 Amb24696321 [0,1,0,0,0,0|3,0,0]=4 459 B11R1.75 OC(=O)\C=C/c1cc(cs1)Br Amb10069468 [0,1,0,0,0,0|1,1,0]=3 460 B11R1.75 OC(=O)\C=C\C1=CC(=O)NO1 Amb24648761 [0,1,0,0,0,0|2,0,0]=3 461 B11R1.75 OC(=O)\C=C\C1=CNC(=S)N1 Amb24726371 [0,1,0,0,0,0|3,0,0]=4 462 B11R1.75 OC(=O)\C=C\C1=NC(=O)C=N1 Amb24652564 [0,1,0,0,0,0|3,0,0]=4 463 B11R1.75 OC(=O)\C=C\c1[n]cc(I)[s]1 Amb24501805 [0,1,0,0,0,0|2,1,0]=4 464 B11R1.75 OC(=O)\C=C\c1cc(Br)co1 Amb24532986 [0,1,0,0,0,0|1,0,0]=2 465 B11R1.75 OC(=O)\C=C\c1cc(Cl)[n]o1 Amb18127135 [0,1,0,0,0,0|2,0,0]=3 466 B11R1.75 OC(=O)\C=C\c1cc(Cl)c[s]1 Amb23441687 [0,1,0,0,0,0|1,1,0]=3 467 B11R1.75 OC(=O)\C=C\c1cc(Cl)co1 Amb18126977 [0,1,0,0,0,0|1,0,0]=2 468 B11R1.75 OC(=O)\C=C\c1ccc(o1)Br Amb1102780 [0,1,0,0,0,0|1,0,0]=2 469 B11R1.75 OC(=O)\C=C\c1ccc(o1)Cl Amb1107531 [0,1,0,0,0,0|1,0,0]=2 470 B11R1.75 OC(=O)\C=C\c1ccc(o1)I Amb1102794 [0,1,0,0,0,0|1,0,0]=2 471 B11R1.75 OC(=O)\C=C\c1csc(c1)Br Amb1111483 [0,1,0,0,0,0|3,0,0]=4 472 B11R1.75 [O-][N+](=O)C=Cc1cc(Br)c[s]1 Amb24075946 [0,1,0,0,0,0|2,1,0]=4 473 B11R1.75 [O-][N+](=O)\C=C\c1cc(Cl)c[s]1 Amb25846380 [0,1,0,0,0,0|2,1,0]=4 474 B11R1.75 [O-][N+](=O)\C=C\c1cc(I)c[nH]1 Amb24615777 [0,1,0,0,0,0|3,0,0]=4 475 B11R1.75 [O-][N+](=O)\C=C\c1ccc(Br)[nH]1 Amb24517085 [0,1,0,0,0,0|3,0,0]=4 476 B11R1.75 [O-][N+](=O)\C=C\c1ccc(Br)[s]1 Amb24477473 [0,1,0,0,0,0|2,1,0]=4 477 B11R1.75 [O-][N+](=O)\C=C\c1ccc(Br)o1 Amb20671638 [0,1,0,0,0,0|2,0,0]=3 478 B11R1.75 [O-][N+](=O)\C=C\c1ccc(Cl)[nH]1 Amb24664828 [0,1,0,0,0,0|3,0,0]=4 479 B11R1.75 [O-][N+](=O)\C=C\c1ccc(Cl)o1 Amb24477474 [0,1,0,0,0,0|2,0,0]=3 480 B11R1.75 [O-][N+](=O)\C=C\c1ccc(I)o1 Amb20671609 [0,1,0,0,0,0|2,0,0]=3 481 B11R1.75 [O-][N+](=O)\C=C\c1ccc(o1)C Amb1878176 [0,1,0,0,0,0|2,0,0]=3 482 B11R1.77 CC(=C)CC(=O)c1ccc[s]1 Amb18563758 [0,1,0,0,0,0|1,1,1]=4 483 B11R1.77 CC(=C)CC(=O)c1ccco1 Amb18065315 [0,1,0,0,0,0|1,0,1]=3 484 B11R1.77 CC(=C)CC(N)c1ccco1 Amb24664035 [0,1,0,0,0,0|1,0,2]=4 485 B11R1.77 CC(=C)C[C@@H](N)c1ccco1 Amb24585183 [0,1,0,0,0,0|1,0,2]=4 486 B11R1.77 CC(=C)C[C@@H](O)c1ccco1 Amb24554611 [0,1,0,0,0,0|1,0,2]=4 487 B11R1.77 CC(=C)C[C@H](N)c1ccco1 Amb24621881 [0,1,0,0,0,0|1,0,2]=4 488 B11R1.77 CC(=C)C[C@H](O)c1ccco1 Amb25280051 [0,1,0,0,0,0|1,0,2]=4 489 B11R1.77 CC(=O)CC(=O)c1[n]cco1 Amb24486514 [0,1,0,0,0,0|1,0,1]=3 490 B11R1.77 CC(=O)CC(=O)c1c[nH]cc1 Amb18065345 [0,1,0,0,0,0|2,0,1]=4 491 B11R1.77 CC(=O)CC(=O)c1c[s]cc1 Amb18185564 [0,1,0,0,0,0|2,0,1]=4 492 B11R1.77 CC(=O)CC(=O)c1cocc1 Amb24730360 [0,1,0,0,0,0|2,0,1]=4 493 B11R1.77 CC(=O)CC(N)c1ccc[s]1 Amb25260094 [0,1,0,0,0,0|0,1,2]=4 494 B11R1.77 CC(=O)CC(O)c1ccc[s]1 Amb25142708 [0,1,0,0,0,0|0,1,2]=4 495 B11R1.77 CC(=O)CS(=O)c1ccc[s]1 Amb24533064 [0,1,0,0,0,0|1,1,1]=4 496 B11R1.77 CC(=O)C[C@@H](O)c1ccco1 Amb25151584 [0,1,0,0,0,0|0,0,2]=3 497 B11R1.77 CC(=O)C[C@H](C)c1ccco1 Amb24691777 [0,1,0,0,0,0|0,0,2]=3 498 B11R1.77 CC(=O)NC(=C)c1[n]cc[s]1 Amb24743318 [0,1,0,0,0,0|2,1,0]=4 499 B11R1.77 CC(=O)NC(=O)c1c[nH]cc1 Amb25798269 [0,1,0,0,0,0|3,0,0]=4 500 B11R1.77 CC(=O)NC(=O)c1c[s]c[n]1 Amb18177928 [0,1,0,0,0,0|3,0,0]=4 501 B11R1.77 CC(=O)NC(=O)c1c[s]cc1 Amb24404847 [0,1,0,0,0,0|3,0,0]=4 502 B11R1.77 CC(=O)NC(=O)c1ccc[s]1 Amb25041075 [0,1,0,0,0,0|1,1,0]=3 503 B11R1.77 CC(=O)N[C@@H](C)c1ccc[s]1 Amb25777895 [0,1,0,0,0,0|1,1,1]=4 504 B11R1.77 CC(=O)N[C@@H](C)c1ccco1 Amb25808220 [0,1,0,0,0,0|1,0,1]=3 505 B11R1.77 CC(=O)OC(=O)c1ccc[nH]1 Amb25771862 [0,1,0,0,0,0|2,0,0]=3 506 B11R1.77 CC(=O)OC(C)c1ccc[s]1 Amb25667972 [0,1,0,0,0,0|1,1,1]=4 507 B11R1.77 CC(=O)OC(Cl)c1ccco1 Amb24487882 [0,1,0,0,0,0|1,0,1]=3 508 B11R1.77 CC(=O)O[C@@H](C)c1ccco1 Amb22801668 [0,1,0,0,0,0|1,0,1]=3 509 B11R1.77 CC(=O)SC(=S)c1ccc[nH]1 Amb24695319 [0,1,0,0,0,0|2,0,0]=3 510 B11R1.77 CC(=O)\C=C(/N)\c1ccco1 Amb25718349 [0,1,0,0,0,0|0,0,0]=1 511 B11R1.77 CC(C)=CC(=O)c1c[n]c[nH]1 Amb24679066 [0,1,0,0,0,0|3,0,0]=4 512 B11R1.77 CC(C)=CC(=O)c1c[n]c[s]1 Amb25847414 [0,1,0,0,0,0|2,1,0]=4 513 B11R1.77 CC(C)=CC(=O)c1cc[s]c1 Amb25692759 [0,1,0,0,0,0|3,0,0]=4 514 B11R1.77 CC(C)=CC(=O)c1ccc[nH]1 Amb25121493 [0,1,0,0,0,0|2,0,0]=3 515 B11R1.77 CC(C)=CC(=O)c1ccc[s]1 Amb25151190 [0,1,0,0,0,0|1,1,0]=3 516 B11R1.77 CC(C)=CC(=O)c1ccoc1 Amb25191205 [0,1,0,0,0,0|3,0,0]=4 517 B11R1.77 CC(C)=CC(N)c1ccc[s]1 Amb25149232 [0,1,0,0,0,0|1,1,1]=4 518 B11R1.77 CC(C)=CC(N)c1ccco1 Amb25742767 [0,1,0,0,0,0|1,0,1]=3 519 B11R1.77 CC(C)=CC(O)c1ccco1 Amb25126405 [0,1,0,0,0,0|1,0,1]=3 520 B11R1.77 CC(C)NC(=N)c1ccco1 Amb25114325 [0,1,0,0,0,0|2,0,1]=4 521 B11R1.77 CC(CC(=O)c1ccco1)C Amb17334321 [0,1,0,0,0,0|1,0,2]=4 522 B11R1.77 CC(N)CC(=O)c1ccco1 Amb20668936 [0,1,0,0,0,0|1,0,2]=4 523 B11R1.77 CC(N)CC(=O)c1ccco1 Amb22157232 [0,1,0,0,0,0|1,0,2]=4 524 B11R1.77 CC(NC(C)=O)=C1C=CC=C1 Amb25125806 [0,1,0,0,0,0|2,0,0]=3 525 B11R1.77 CC(O)CC(=O)c1ccco1 Amb25116510 [0,1,0,0,0,0|0,0,3]=4 526 B11R1.77 CC(OC(=O)c1ccco1)C Amb10572174 [0,1,0,0,0,0|2,0,1]=4 527 B11R1.77 CN(C)NC(=O)c1ccco1 Amb25151711 [0,1,0,0,0,0|3,0,0]=4 528 B11R1.77 CS(=O)CC(=O)c1ccc[s]1 Amb24065161 [0,1,0,0,0,0|1,1,1]=4 529 B11R1.77 CS(=O)CC(=O)c1ccco1 Amb24080225 [0,1,0,0,0,0|1,0,1]=3 530 B11R1.77 CS(=O)CC(O)c1ccco1 Amb25056851 [0,1,0,0,0,0|1,0,2]=4 531 B11R1.77 CS(=O)C[C@@H](O)c1ccco1 Amb25097747 [0,1,0,0,0,0|1,0,2]=4 532 B11R1.77 C\C(=C/C(C)=O)\[n]1ccc[n]1 Amb25151539 [0,1,0,0,0,0|2,0,0]=3 533 B11R1.77 C\C(=C/C(C)=O)\c1cocc1 Amb25128924 [0,1,0,0,0,0|2,0,0]=3 534 B11R1.77 C\C(=C/C(N)=O)\c1ccc[s]1 Amb25805114 [0,1,0,0,0,0|1,1,0]=3 535 B11R1.77 C\C(=C/C(O)=O)\c1cc[nH]c1 Amb18065343 [0,1,0,0,0,0|3,0,0]=4 536 B11R1.77 C\C(=C\C(C)=O)\[n]1ccc[n]1 Amb24656140 [0,1,0,0,0,0|2,0,0]=3 537 B11R1.77 C\C(=C\C(C)=O)\c1ccc[s]1 Amb24630689 [0,1,0,0,0,0|0,1,0]=2 538 B11R1.77 C\C(=C\C(O)=O)\c1cc[s]c1 Amb18284471 [0,1,0,0,0,0|3,0,0]=4 539 B11R1.77 C\C(=C\C(O)=O)\c1ccc[nH]1 Amb25191185 [0,1,0,0,0,0|2,0,0]=3 540 B11R1.77 C\C(=C\C(O)=O)\c1ccc[s]1 Amb24702826 [0,1,0,0,0,0|1,1,0]=3 541 B11R1.77 C\C(=C\C(O)=O)\c1ccco1 Amb24668653 [0,1,0,0,0,0|1,0,0]=2 542 B11R1.77 C\C(\N)=C\C(=O)c1ccc[s]1 Amb25765757 [0,1,0,0,0,0|1,1,0]=3 543 B11R1.77 C\C(\N)=C\C(=O)c1ccco1 Amb25150323 [0,1,0,0,0,0|1,0,0]=2 544 B11R1.77 NC(=N)NC(=N)c1ccco1 Amb24581559 [0,1,0,0,0,0|3,0,0]=4 545 B11R1.77 NC(=N)NC(=O)c1ccco1 Amb25046550 [0,1,0,0,0,0|3,0,0]=4 546 B11R1.77 NC(=O)CC(=O)c1ccc[nH]1 Amb24756632 [0,1,0,0,0,0|2,0,1]=4 547 B11R1.77 NC(=O)CC(=O)c1ccc[s]1 Amb25264355 [0,1,0,0,0,0|1,1,1]=4 548 B11R1.77 NC(=O)CC(=O)c1ccco1 Amb24563831 [0,1,0,0,0,0|1,0,1]=3 549 B11R1.77 NC(=O)CC(O)c1ccco1 Amb25840351 [0,1,0,0,0,0|1,0,2]=4 550 B11R1.77 NC(=O)C[C@@H](N)c1ccco1 Amb18179504 [0,1,0,0,0,0|1,0,2]=4 551 B11R1.77 NC(=O)C[C@H](N)c1ccco1 Amb25702198 [0,1,0,0,0,0|1,0,2]=4 552 B11R1.77 NC(=O)NC(=O)c1ccc[nH]1 Amb24571382 [0,1,0,0,0,0|3,0,0]=4 553 B11R1.77 NC(=O)NC(=O)c1ccc[s]1 Amb25308707 [0,1,0,0,0,0|2,1,0]=4 554 B11R1.77 NC(=O)\C=C(/O)\c1ccc[s]1 Amb25738514 [0,1,0,0,0,0|1,1,0]=3 555 B11R1.77 NC(=O)\C=C(/O)\c1ccoc1 Amb24382530 [0,1,0,0,0,0|3,0,0]=4 556 B11R1.77 N[C@@H](CC(O)=O)c1ccco1 Amb18179572 [0,1,0,0,0,0|1,0,2]=4 557 B11R1.77 N[C@H](CC(O)=O)c1ccco1 Amb25319193 [0,1,0,0,0,0|1,0,2]=4 558 B11R1.77 OC(=O)CC(=O)c1ccc[s]1 Amb18647321 [0,1,0,0,0,0|1,1,1]=4 559 B11R1.77 OC(=O)CC(Cl)c1ccco1 Amb18119889 [0,1,0,0,0,0|1,0,2]=4 560 B11R1.77 OC(=O)CC(c1ccco1)N Amb2583027 [0,1,0,0,0,0|1,0,2]=4 561 B11R1.77 OC(=O)CC(c1ccco1)O Amb17232169 [0,1,0,0,0,0|1,0,2]=4 562 B11R1.77 OC(=O)\C=C(\F)/c1c[n]c[nH]1 Amb25381251 [0,1,0,0,0,0|3,0,0]=4 563 B11R1.77 [O-][N+](=O)CC(=O)c1ccco1 Amb10571703 [0,1,0,0,0,0|2,0,1]=4 564 B11R1.90 CC(=O)C#Cc1ccc[n]1C Amb25151535 [0,1,0,0,0,0|1,0,2]=4 565 B11R1.90 CC(=O)CCc1[s]ccc1Br Amb25329410 [0,1,0,0,0,0|0,1,2]=4 566 B11R1.90 CC(=O)CCc1[s]ccc1Cl Amb25692710 [0,1,0,0,0,0|0,1,2]=4 567 B11R1.90 CC(=O)CCc1occc1Br Amb24454394 [0,1,0,0,0,0|0,0,2]=3 568 B11R1.90 CC(=O)NCc1sccc1Br Amb15563083 [0,1,0,0,0,0|1,1,1]=4 569 B11R1.90 CC(=O)NN=c1occ[n]1C Amb24072903 [0,1,0,0,0,0|3,0,0]=4 570 B11R1.90 CC(=O)OCc1occc1Cl Amb25682420 [0,1,0,0,0,0|1,0,1]=3 571 B11R1.90 CC(=O)O\C=C/1\CC=CC1=O Amb25202733 [0,1,0,0,0,0|2,0,0]=3 572 B11R1.90 CC(=O)\C=C/N1C=CSC1=N Amb24485983 [0,1,0,0,0,0|3,0,0]=4 573 B11R1.90 CC(=O)\C=C/c1[n]cc[n]1C Amb25173631 [0,1,0,0,0,0|2,0,0]=3 574 B11R1.90 CC(=O)\C=C\N1C=CSC1=N Amb25201652 [0,1,0,0,0,0|3,0,0]=4 575 B11R1.90 CC(=O)\C=C\c1[s]ccc1Cl Amb25211410 [0,1,0,0,0,0|0,1,0]=2 576 B11R1.90 CC(=O)\C=C\c1c[n]c[n]1C Amb25711561 [0,1,0,0,0,0|2,0,0]=3 577 B11R1.90 CC(=O)\C=C\c1cc[n][n]1C Amb25326986 [0,1,0,0,0,0|2,0,0]=3 578 B11R1.90 CC(=O)\C=C\c1ccc[n]1C Amb24576003 [0,1,0,0,0,0|1,0,0]=2 579 B11R1.90 CC(=O)\C=C\c1occc1Br Amb25148334 [0,1,0,0,0,0|0,0,0]=1 580 B11R1.90 CC(=O)\C=C\c1sccc1C Amb17477747 [0,1,0,0,0,0|0,1,0]=2 581 B11R1.90 CC(Br)\C=C\c1[s]ccc1Br Amb24610368 [0,1,0,0,0,0|1,1,1]=4 582 B11R1.90 CC(Br)\C=C\c1ccc[n]1C Amb24363915 [0,1,0,0,0,0|2,0,1]=4 583 B11R1.90 CC(Br)\C=C\c1occc1Br Amb25836503 [0,1,0,0,0,0|1,0,1]=3 584 B11R1.90 CC(C)=C\C=C/1\SC=CC1=O Amb25094395 [0,1,0,0,0,0|1,1,0]=3 585 B11R1.90 CC(Cl)\C=C\c1[s]ccc1Cl Amb24626703 [0,1,0,0,0,0|1,1,1]=4 586 B11R1.90 CC(Cl)\C=C\c1occc1Br Amb25848940 [0,1,0,0,0,0|1,0,1]=3 587 B11R1.90 CC(N)\C=C\c1[s]ccc1Br Amb25755804 [0,1,0,0,0,0|1,1,1]=4 588 B11R1.90 CC(N)\C=C\c1ccc[n]1C Amb24666270 [0,1,0,0,0,0|2,0,1]=4 589 B11R1.90 CC(O)\C=C\c1[s]ccc1Cl Amb25361286 [0,1,0,0,0,0|0,1,2]=4 590 B11R1.90 CC1=CCCC1\C=C\C(C)=O Amb24584482 [0,1,0,0,0,0|1,0,2]=4 591 B11R1.90 CC=1CCCC1\C=C\C(C)=O Amb25205824 [0,1,0,0,0,0|1,0,2]=4 592 B11R1.90 C[n]1cc[n]c1\C=C\C(N)=O Amb24576175 [0,1,0,0,0,0|3,0,0]=4 593 B11R1.90 C[n]1cccc1\C=C/C(O)=O Amb25216811 [0,1,0,0,0,0|2,0,0]=3 594 B11R1.90 C[n]1cccc1\C=C/[N+]([O-])=O Amb24309345 [0,1,0,0,0,0|3,0,0]=4 595 B11R1.90 C[n]1cccc1\C=C\C(=O)Cl Amb25826220 [0,1,0,0,0,0|2,0,0]=3 596 B11R1.90 C[n]1cccc1\C=C\C(N)=O Amb25145713 [0,1,0,0,0,0|2,0,0]=3 597 B11R1.90 C[n]1cccc1\C=C\N(=O)=O Amb20621706 [0,1,0,0,0,0|3,0,0]=4 598 B11R1.90 Cc1[n][n][s]c1\C=C\C(C)=O Amb24595046 [0,1,0,0,0,0|2,1,0]=4 599 B11R1.90 Cc1[n]c[nH]c1\C=C\C(N)=O Amb25241350 [0,1,0,0,0,0|3,0,0]=4 600 B11R1.90 Cc1[n]c[s]c1\C=C\C(C)=O Amb24557698 [0,1,0,0,0,0|1,1,0]=3 601 B11R1.90 Cc1[n]c[s]c1\C=C\C(O)=O Amb18522398 [0,1,0,0,0,0|2,1,0]=4 602 B11R1.90 Cc1[n]cc[n]1\C=C\C(C)=O Amb24625711 [0,1,0,0,0,0|3,0,0]=4 603 B11R1.90 Cc1[n]coc1\C=C\C(O)=O Amb25218289 [0,1,0,0,0,0|2,0,0]=3 604 B11R1.90 Cc1[s]ccc1\C=C\C(O)=O Amb25032556 [0,1,0,0,0,0|3,0,0]=4 605 B11R1.90 Cc1cc[nH]c1\C=C\[N+]([O-])=O Amb25258191 [0,1,0,0,0,0|3,0,0]=4 606 B11R1.90 Cc1cc[s]c1C#CC(C)=O Amb25096002 [0,1,0,0,0,0|0,1,2]=4 607 B11R1.90 Cc1cc[s]c1\C=C\C(C)Br Amb24421165 [0,1,0,0,0,0|1,1,1]=4 608 B11R1.90 Cc1cc[s]c1\C=C\C(C)N Amb24694960 [0,1,0,0,0,0|1,1,1]=4 609 B11R1.90 Cc1cc[s]c1\C=C\C(C)O Amb25257281 [0,1,0,0,0,0|0,1,2]=4 610 B11R1.90 Cc1ccoc1C#CC(O)=O Amb25283321 [0,1,0,0,0,0|1,0,2]=4 611 B11R1.90 Cc1ccoc1CCC(O)=O Amb18200842 [0,1,0,0,0,0|1,0,2]=4 612 B11R1.90 Cc1ccoc1CNC(N)=O Amb24642640 [0,1,0,0,0,0|2,0,1]=4 613 B11R1.90 Cc1ccoc1\C=C\C(C)=O Amb25730265 [0,1,0,0,0,0|0,0,0]=1 614 B11R1.90 Cc1ccoc1\C=C\C(C)Br Amb25150526 [0,1,0,0,0,0|1,0,1]=3 615 B11R1.90 Cc1ccoc1\C=C\C(C)Cl Amb25820781 [0,1,0,0,0,0|1,0,1]=3 616 B11R1.90 Cc1ccoc1\C=C\C(C)N Amb24666253 [0,1,0,0,0,0|1,0,1]=3 617 B11R1.90 Cc1cocc1\C=C\C(O)=O Amb24617450 [0,1,0,0,0,0|3,0,0]=4 618 B11R1.90 Cc1occc1\C=C\C(O)=O Amb18125355 [0,1,0,0,0,0|3,0,0]=4 619 B11R1.90 NC(=O)\C=C/c1[n][nH]cc1Cl Amb25836884 [0,1,0,0,0,0|3,0,0]=4 620 B11R1.90 NC(=O)\C=C\c1[s]ccc1Br Amb25233144 [0,1,0,0,0,0|1,1,0]=3 621 B11R1.90 OC(=O)C=Cc1[s]ccc1Cl Amb24100812 [0,1,0,0,0,0|1,1,0]=3 622 B11R1.90 OC(=O)CCc1occc1Br Amb25823223 [0,1,0,0,0,0|1,0,2]=4 623 B11R1.90 OC(=O)\C=C\c1[nH][n]cc1Br Amb25783557 [0,1,0,0,0,0|3,0,0]=4 624 B11R1.90 OC(=O)\C=C\c1c[s]cc1Br Amb25075327 [0,1,0,0,0,0|3,0,0]=4 625 B11R1.90 OC(=O)\C=C\c1c[s]cc1Cl Amb25700973 [0,1,0,0,0,0|3,0,0]=4 626 B11R1.90 OC(=O)\C=C\c1sccc1C Amb1153084 [0,1,0,0,0,0|1,1,0]=3 627 B11R1.90 [O-][N+](=O)\C=C\c1[s]ccc1Br Amb25047200 [0,1,0,0,0,0|2,1,0]=4 628 B11R1.90 [O-][N+](=O)\C=C\c1[s]ccc1Cl Amb24552599 [0,1,0,0,0,0|2,1,0]=4 629 B11R1.90 [O-][N+](=O)\C=C\c1occc1Br Amb25729706 [0,1,0,0,0,0|2,0,0]=3 630 B11R1.510 CC(C)(O)\C=C\c1ccco1 Amb25288456 [0,1,0,0,0,0|0,0,2]=3 631 B11R1.510 CS(=O)(=O)[N-]Cc1ccco1 Amb23497763 [0,1,0,0,0,0|2,0,1]=4 632 B11R1.510 CS(=O)(=O)\C=C\c1ccc[nH]1 Amb25678740 [0,1,0,0,0,0|2,0,0]=3 633 B11R1.510 O=S(=O)(Cl)\C=C\c1ccco1 Amb25064220 [0,1,0,0,0,0|2,0,0]=3 634 B11R1.510 OP(O)(=O)\C=C\c1ccco1 Amb24634617 [0,1,0,0,0,0|2,0,0]=3 635 B11R1.713 CC(=O)\C=C\C1(S)NC=CS1 Amb25803460 [0,1,0,0,0,0|1,1,1]=4 636 B9R0.2 CC(=O)N\C=C\C=C/CO Amb24428235 [0,0,1,0,0,0|1,0,1]=3 637 B9R0.2 CC(=O)N\C=C\C=CC=O Amb24629598 [0,0,1,0,0,0|1,0,1]=3 638 B9R0.2 CC(=O)N\C=C\C=CCO Amb25340655 [0,0,1,0,0,0|1,0,1]=3 639 B9R0.2 CC(=O)O\C=C\C=C\C=O Amb25311232 [0,0,1,0,0,0|1,0,1]=3 640 B9R0.2 CC(=O)\C=C\COCC=C Amb25263648 [0,0,1,0,0,0|0,0,2]=3 641 B9R0.2 CC(=O)\C=C\NCCC=C Amb25086633 [0,0,1,0,0,0|2,0,1]=4 642 B9R0.2 CC(C)=C\C=C/C=C/C=O Amb25365213 [0,0,1,0,0,0|1,0,1]=3 643 B9R0.2 CC(C)=C\C=C\C=C/C=O Amb24669006 [0,0,1,0,0,0|1,0,1]=3 644 B9R0.2 CC(C)=C\C=C\C=C\C=O Amb18643094 [0,0,1,0,0,0|1,0,1]=3 645 B9R0.2 CC(O)C=CC=CC=CCl Amb25212853 [0,0,1,0,0,0|1,0,2]=4 646 B9R0.2 CC=CC=CC=CC(C)=O Amb25238403 [0,0,1,0,0,0|1,0,0]=2 647 B9R0.2 CC=CC=CC=CC(C)O Amb24354354 [0,0,1,0,0,0|1,0,2]=4 648 B9R0.2 CC=CC=CC=CC(O)=O Amb24561626 [0,0,1,0,0,0|2,0,0]=3 649 B9R0.2 CCC=CCC=CC(C)=O Amb24061730 [0,0,1,0,0,0|1,0,2]=4 650 B9R0.2 CCCC=C\C=C\C(C)=O Amb25274464 [0,0,1,0,0,0|1,0,2]=4 651 B9R0.2 CCC\C=C\C=CC(C)=O Amb24722296 [0,0,1,0,0,0|1,0,2]=4 652 B9R0.2 CCC\C=C\C=C\C(C)=O Amb25050290 [0,0,1,0,0,0|1,0,2]=4 653 B9R0.2 C\C=C/C=C/COC(=O)C Amb10563784 [0,0,1,0,0,0|2,0,1]=4 654 B9R0.2 C\C=C\C=CCNC(C)=O Amb24560930 [0,0,1,0,0,0|2,0,1]=4 655 B9R0.2 C\C=C\C=CCOC(C)=O Amb24705268 [0,0,1,0,0,0|2,0,1]=4 656 B9R0.2 C\C=C\C=C\C=C/C(C)=O Amb25822807 [0,0,1,0,0,0|1,0,0]=2 657 B9R0.2 C\C=C\C=C\C=C\C(C)=O Amb25185305 [0,0,1,0,0,0|1,0,0]=2 658 B9R0.2 C\C=C\C=C\CCC(C)=O Amb24478389 [0,0,1,0,0,0|1,0,2]=4 659 B9R0.2 C\C=C\CC\C=C\C(C)=O Amb24402185 [0,0,1,0,0,0|1,0,2]=4 660 B9R0.2 O=C\C=C\C=CC=C(Cl)Cl Amb25259278 [0,0,1,0,0,0|2,0,1]=4 661 B9R0.2 O=C\C=C\C=C\C=C(Cl)Cl Amb25312922 [0,0,1,0,0,0|2,0,1]=4 662 B9R0.2 OC(=O)C=CC=CC=CBr Amb25240084 [0,0,1,0,0,0|2,0,0]=3 663 B9R0.2 OC(=O)\C=C\C=C\C=C\Br Amb25733431 [0,0,1,0,0,0|2,0,0]=3 664 B9R0.2 OC\C=C\C=CC=C(Cl)Cl Amb25129639 [0,0,1,0,0,0|2,0,1]=4 665 B9R0.43 CC(=O)\C=C\C(\CC)=C\Cl Amb24602488 [0,0,1,0,0,0|2,0,1]=4 666 B9R0.48 C=CCC(=O)\C=C\C(O)=O Amb18643496 [0,0,1,0,0,0|1,0,2]=4 667 B9R0.48 CC(=C)\C=C\C(O)CC=C Amb24733001 [0,0,1,0,0,0|1,0,2]=4 668 B9R0.48 CC(=O)CCC(=O)OC=C Amb24633305 [0,0,1,0,0,0|1,0,2]=4 669 B9R0.48 CC(=O)\C=C/C(/C)=C\C=O Amb25739204 [0,0,1,0,0,0|2,0,0]=3 670 B9R0.48 CC(=O)\C=C\C(=C)OCC Amb25116543 [0,0,1,0,0,0|0,0,2]=3 671 B9R0.48 CC(=O)\C=C\C(=O)OC=C Amb24631181 [0,0,1,0,0,0|1,0,0]=2 672 B9R0.48 C\C(\C=C\C(C)=O)=C/CC Amb24524632 [0,0,1,0,0,0|1,0,2]=4 673 B9R0.48 C\C=C\C(C)=CNC(C)=O Amb24641131 [0,0,1,0,0,0|2,0,1]=4 674 B9R0.48 C\C=C\C(C)C=CC(C)=O Amb25179447 [0,0,1,0,0,0|1,0,2]=4 675 B9R0.48 C\C=C\C(\C)=C\NC(C)=O Amb24714060 [0,0,1,0,0,0|2,0,1]=4 676 B9R0.48 OC(=O)\C=C\C(\O)=C\C=O Amb24469239 [0,0,1,0,0,0|2,0,0]=3 677 B11R2.11 O=C1CC(C1)c2ccc[s]2 Amb25162176 [0,0,0,1,0,0|0,1,2]=4 678 B11R2.11 O=C1CC(N1)c2ccc[s]2 Amb25185121 [0,0,0,1,0,0|1,1,1]=4 679 B11R2.36 Brc1cc2c[n]oc2cc1 Amb19957546 [0,0,0,1,0,0|2,0,1]=4 680 B11R2.36 Brc1ccc2[s]ccc2[n]1 Amb18769649 [0,0,0,1,0,0|2,1,0]=4 681 B11R2.36 Brc1ccc2c(c1)C=CC2 Amb2383763 [0,0,0,1,0,0|2,0,1]=4 682 B11R2.36 Brc1ccc2c(c1)cc[nH]2 Amb1159072 [0,0,0,1,0,0|2,0,1]=4 683 B11R2.36 Brc1ccc2c(c1)ccs2 Amb2447430 [0,0,0,1,0,0|1,1,1]=4 684 B11R2.36 Brc1ccc2oc[n]c2[n]1 Amb25782928 [0,0,0,1,0,0|3,0,0]=4 685 B11R2.36 Brc1ccc2occc2[n]1 Amb18187816 [0,0,0,1,0,0|2,0,0]=3 686 B11R2.36 CC1C[n]2cccc2C=C1 Amb24091836 [0,0,0,1,0,0|2,0,1]=4 687 B11R2.36 C[n+]1cc2ccoc2cc1 Amb24610574 [0,0,0,1,0,0|2,0,0]=3 688 B11R2.36 Cc1[n]c2cc[s]c2c[n]1 Amb24084893 [0,0,0,1,0,0|2,1,0]=4 689 B11R2.36 Cc1c[n]2c[n]cc2cc1 Amb24360913 [0,0,0,1,0,0|3,0,0]=4 690 B11R2.36 Cc1c[n]2cc[n]c2cc1 Amb22263183 [0,0,0,1,0,0|3,0,0]=4 691 B11R2.36 Cc1c[n]2cccc2c[n]1 Amb24102446 [0,0,0,1,0,0|3,0,0]=4 692 B11R2.36 Cc1c[n]2cccc2cc1 Amb22490217 [0,0,0,1,0,0|2,0,0]=3 693 B11R2.36 Cc1cc2C=CCc2cc1 Amb24062964 [0,0,0,1,0,0|2,0,0]=3 694 B11R2.36 Cc1cc2NCOc2cc1 Amb24477260 [0,0,0,1,0,0|2,0,1]=4 695 B11R2.36 Cc1cc2[n]c[s]c2cc1 Amb22002591 [0,0,0,1,0,0|2,1,0]=4 696 B11R2.36 Cc1cc2[n]coc2[n]c1 Amb18100532 [0,0,0,1,0,0|3,0,0]=4 697 B11R2.36 Cc1cc2c[n][s]c2cc1 Amb24730612 [0,0,0,1,0,0|2,1,0]=4 698 B11R2.36 Cc1cc2c[s]cc2cc1 Amb24092840 [0,0,0,1,0,0|3,0,0]=4 699 B11R2.36 Cc1cc2cc[nH]c2c[n]1 Amb19958739 [0,0,0,1,0,0|3,0,0]=4 700 B11R2.36 Cc1cc2ccc[n]2cc1 Amb24670240 [0,0,0,1,0,0|3,0,0]=4 701 B11R2.36 Cc1cc2cccc2[nH]c1 Amb25240550 [0,0,0,1,0,0|3,0,0]=4 702 B11R2.36 Cc1cc2ccoc2[n]c1 Amb23403003 [0,0,0,1,0,0|2,0,0]=3 703 B11R2.36 Cc1cc2ccoc2cc1 Amb22751743 [0,0,0,1,0,0|1,0,0]=2 704 B11R2.36 Cc1cc2occc2cc1 Amb22039412 [0,0,0,1,0,0|3,0,0]=4 705 B11R2.36 Cc1ccc2[nH][n]cc2[n]1 Amb21856886 [0,0,0,1,0,0|3,0,0]=4 706 B11R2.36 Cc1ccc2[n]cc[n]2[n]1 Amb21858229 [0,0,0,1,0,0|3,0,0]=4 707 B11R2.36 Cc1ccc2[n]coc2[n]1 Amb18100542 [0,0,0,1,0,0|3,0,0]=4 708 B11R2.36 Cc1ccc2c(c1)CCO2 Amb2447310 [0,0,0,1,0,0|1,0,2]=4 709 B11R2.36 Cc1ccc2c(c1)[nH]cc2 Amb2447285 [0,0,0,1,0,0|3,0,0]=4 710 B11R2.36 Cc1ccc2c(c1)[nH]cn2 Amb17506454 [0,0,0,1,0,0|3,0,0]=4 711 B11R2.36 Cc1ccc2c(c1)nc[nH]2 Amb1902102 [0,0,0,1,0,0|3,0,0]=4 712 B11R2.36 Cc1ccc2c(c1)nco2 Amb2433105 [0,0,0,1,0,0|2,0,0]=3 713 B11R2.36 Cc1ccc2c(c1)scc2 Amb10603775 [0,0,0,1,0,0|3,0,0]=4 714 B11R2.36 Cc1ccc2c(c1)scn2 Amb10568670 [0,0,0,1,0,0|3,0,0]=4 715 B11R2.36 Cc1ccc2cc[s]c2[n]1 Amb24091884 [0,0,0,1,0,0|3,0,0]=4 716 B11R2.36 Cc1ccc2ccoc2[n]1 Amb23437179 [0,0,0,1,0,0|3,0,0]=4 717 B11R2.36 Cc1ccn2c(n1)ccn2 Amb13889309 [0,0,0,1,0,0|3,0,0]=4 718 B11R2.36 ClC=1CN2C=CNC2=CC1 Amb24580376 [0,0,0,1,0,0|3,0,0]=4 719 B11R2.36 Clc1[n]c2ccoc2c[n]1 Amb23402944 [0,0,0,1,0,0|3,0,0]=4 720 B11R2.36 Clc1c[n]2cccc2cc1 Amb22757493 [0,0,0,1,0,0|2,0,1]=4 721 B11R2.36 Clc1cc2c[n]oc2cc1 Amb22495862 [0,0,0,1,0,0|2,0,1]=4 722 B11R2.36 Clc1cc2ccoc2[n]c1 Amb25256318 [0,0,0,1,0,0|2,0,1]=4 723 B11R2.36 Clc1cc2ccoc2cc1 Amb20248132 [0,0,0,1,0,0|1,0,1]=3 724 B11R2.36 Clc1ccc2CC=Cc2[n]1 Amb25719496 [0,0,0,1,0,0|3,0,0]=4 725 B11R2.36 Clc1ccc2[s]ccc2[n]1 Amb21962456 [0,0,0,1,0,0|2,1,0]=4 726 B11R2.36 Clc1ccc2c(c1)C=CC2 Amb2383761 [0,0,0,1,0,0|2,0,1]=4 727 B11R2.36 Clc1ccc2occc2[n]1 Amb21864771 [0,0,0,1,0,0|2,0,0]=3 728 B11R2.36 FC=1Cc2cc[nH]c2CC1 Amb25727241 [0,0,0,1,0,0|2,0,1]=4 729 B11R2.36 Fc1cc2c[n]oc2cc1 Amb22495874 [0,0,0,1,0,0|2,0,1]=4 730 B11R2.36 Fc1cc2cc[s]c2cc1 Amb19958720 [0,0,0,1,0,0|1,1,1]=4 731 B11R2.36 Fc1cc2ccoc2cc1 Amb20241175 [0,0,0,1,0,0|1,0,1]=3 732 B11R2.36 Fc1ccc2c(c1)C=CC2 Amb2383762 [0,0,0,1,0,0|2,0,1]=4 733 B11R2.36 Fc1ccc2c(c1)nco2 Amb10841895 [0,0,0,1,0,0|2,0,1]=4 734 B11R2.36 Ic1cc2C=CCc2cc1 Amb25313198 [0,0,0,1,0,0|2,0,1]=4 735 B11R2.36 Ic1cc2[n]coc2cc1 Amb22737648 [0,0,0,1,0,0|2,0,1]=4 736 B11R2.36 Ic1cc2c[n]oc2cc1 Amb24392287 [0,0,0,1,0,0|2,0,1]=4 737 B11R2.36 Ic1cc2cc[s]c2cc1 Amb24062930 [0,0,0,1,0,0|1,1,1]=4 738 B11R2.36 Ic1cc2ccoc2cc1 Amb23401832 [0,0,0,1,0,0|1,0,1]=3 739 B11R2.36 Ic1ccc2c(c1)cc[nH]2 Amb2455803 [0,0,0,1,0,0|2,0,1]=4 740 B11R2.36 Ic1ccc2occc2[n]1 Amb24760836 [0,0,0,1,0,0|2,0,0]=3 741 B11R2.36 Nc1cc2C=CCc2cc1 Amb25147580 [0,0,0,1,0,0|2,0,1]=4 742 B11R2.36 Nc1cc2[n]coc2cc1 Amb24056420 [0,0,0,1,0,0|2,0,1]=4 743 B11R2.36 Nc1cc2c[n]oc2cc1 Amb21927333 [0,0,0,1,0,0|2,0,1]=4 744 B11R2.36 Nc1cc2ccoc2[n]c1 Amb22496271 [0,0,0,1,0,0|2,0,1]=4 745 B11R2.36 Nc1cc2ccoc2c[n]1 Amb24615241 [0,0,0,1,0,0|2,0,1]=4 746 B11R2.36 Nc1ccc2[nH]ccc2[n]1 Amb20242241 [0,0,0,1,0,0|3,0,0]=4 747 B11R2.36 Nc1ccc2[s]ccc2[n]1 Amb18644434 [0,0,0,1,0,0|2,1,0]=4 748 B11R2.36 Nc1ccc2c(c1)cco2 Amb2425577 [0,0,0,1,0,0|1,0,1]=3 749 B11R2.36 Nc1ccc2c(c1)ccs2 Amb1106970 [0,0,0,1,0,0|1,1,1]=4 750 B11R2.36 Nc1ccc2c(c1)nco2 Amb2433112 [0,0,0,1,0,0|2,0,1]=4 751 B11R2.36 Nc1ccc2o[n]cc2[n]1 Amb18203126 [0,0,0,1,0,0|3,0,0]=4 752 B11R2.36 Nc1ccc2occc2[n]1 Amb24445845 [0,0,0,1,0,0|2,0,0]=3 753 B11R2.36 O=C1C=C2C=CNN2C=C1 Amb25764723 [0,0,0,1,0,0|2,0,1]=4 754 B11R2.36 O=C1C=C2C=CSC2=CN1 Amb24728514 [0,0,0,1,0,0|1,1,1]=4 755 B11R2.36 O=C1C=C2C=CSC2=CO1 Amb25312426 [0,0,0,1,0,0|1,1,1]=4 756 B11R2.36 O=C1C=C[n]2[n]ccc2N1 Amb21927423 [0,0,0,1,0,0|3,0,0]=4 757 B11R2.36 O=C1C=Cc2[nH]ccc2N1 Amb22727937 [0,0,0,1,0,0|2,0,0]=3 758 B11R2.36 O=C1C=Cc2[nH]ccc2O1 Amb25259806 [0,0,0,1,0,0|2,0,0]=3 759 B11R2.36 O=C1C=Cc2[n]c[nH]c2N1 Amb22490310 [0,0,0,1,0,0|3,0,0]=4 760 B11R2.36 O=C1C=Cc2[n]cc[n]2N1 Amb22388527 [0,0,0,1,0,0|3,0,0]=4 761 B11R2.36 O=C1C=Cc2cc[s]c2N1 Amb24417184 [0,0,0,1,0,0|3,0,0]=4 762 B11R2.36 O=C1CCc2c(C1)cc[nH]2 Amb13883727 [0,0,0,1,0,0|1,0,2]=4 763 B11R2.36 O=C1C[n]2cc[n]c2C=C1 Amb24379699 [0,0,0,1,0,0|2,0,0]=3 764 B11R2.36 O=C1C[n]2cccc2CN1 Amb24444538 [0,0,0,1,0,0|2,0,1]=4 765 B11R2.36 O=C1Cc2c[n][nH]c2N=C1 Amb25112656 [0,0,0,1,0,0|3,0,0]=4 766 B11R2.36 O=C1Cc2c[n]oc2CC1 Amb24390772 [0,0,0,1,0,0|1,0,2]=4 767 B11R2.36 O=C1Cc2cc[nH]c2CN1 Amb25147601 [0,0,0,1,0,0|2,0,1]=4 768 B11R2.36 O=C1Cc2cc[s]c2CN1 Amb25749193 [0,0,0,1,0,0|1,1,1]=4 769 B11R2.36 O=C1Cc2ccc[n]2C=C1 Amb24066251 [0,0,0,1,0,0|2,0,0]=3 770 B11R2.36 O=C1Cc2ccoc2C=C1 Amb24757003 [0,0,0,1,0,0|0,0,0]=1 771 B11R2.36 O=C1N=C2C=CN=C2C=N1 Amb25824737 [0,0,0,1,0,0|3,0,0]=4 772 B11R2.36 O=S1C[n]2cccc2C=C1 Amb24509704 [0,0,0,1,0,0|2,0,0]=3 773 B11R2.36 O=c1ccc2ccoc2[nH]1 Amb24081771 [0,0,0,1,0,0|3,0,0]=4 774 B11R2.36 O=c1ccn2c([nH]1)ccn2 Amb10975850 [0,0,0,1,0,0|3,0,0]=4 775 B11R2.36 OC=1CC2=NC=NC2=CC1 Amb24079299 [0,0,0,1,0,0|2,0,1]=4 776 B11R2.36 Oc1cc2C=CCc2cc1 Amb18124353 [0,0,0,1,0,0|1,0,2]=4 777 B11R2.36 Oc1cc2c[n]oc2cc1 Amb23403626 [0,0,0,1,0,0|1,0,2]=4 778 B11R2.36 Oc1cc2cc[s]c2cc1 Amb18644430 [0,0,0,1,0,0|0,1,2]=4 779 B11R2.36 Oc1cc2cc[s]c2cc1 Amb24094703 [0,0,0,1,0,0|0,1,2]=4 780 B11R2.36 Oc1cc2ccoc2[n]c1 Amb24081770 [0,0,0,1,0,0|1,0,2]=4 781 B11R2.36 Oc1ccc2[nH]ccc2[n]1 Amb21963469 [0,0,0,1,0,0|2,0,1]=4 782 B11R2.36 Oc1ccc2c(c1)cco2 Amb16185813 [0,0,0,1,0,0|0,0,2]=3 783 B11R2.36 Oc1ccc2c(c1)nco2 Amb17479110 [0,0,0,1,0,0|1,0,2]=4 784 B11R2.36 Sc1cc2ccoc2cc1 Amb24089279 [0,0,0,1,0,0|0,1,1]=3 785 B11R2.36 [O-][n+]1cc2ccoc2cc1 Amb25700383 [0,0,0,1,0,0|1,0,2]=4 786 B11R2.359 O=C1CC2CC(C=C2)C=C1 Amb25146650 [0,0,0,1,0,0|1,0,2]=4 787 B11R2.385 C1CC1\C=C\c2ccc[nH]2 Amb24598568 [0,0,0,1,0,0|2,0,1]=4 788 B11R2.385 C1OC1\C=C\c2ccc[s]2 Amb24546913 [0,0,0,1,0,0|0,1,2]=4 789 B11R2.385 C1OC1\C=C\c2ccco2 Amb25366427 [0,0,0,1,0,0|0,0,2]=3 790 B9R1.13 BrC(Br)=Cc1ccc[nH]1 Amb24464181 [0,0,0,0,1,0|3,0,0]=4 791 B9R1.13 BrC(Br)=Cc1ccco1 Amb22228062 [0,0,0,0,1,0|2,0,0]=3 792 B9R1.13 C=C(Br)Cc1ccco1 Amb24411253 [0,0,0,0,1,0|1,0,2]=4 793 B9R1.13 CC(=C)Cc1ccc[nH]1 Amb24477810 [0,0,0,0,1,0|2,0,1]=4 794 B9R1.13 CC(=C)Cc1ccco1 Amb24673621 [0,0,0,0,1,0|1,0,1]=3 795 B9R1.13 CC(=O)CC1=CC=C[SiH2]1 Amb25729101 [0,0,0,0,1,0|1,0,1]=3 796 B9R1.13 CC(=O)CC1=CCCO1 Amb24583510 [0,0,0,0,1,0|0,0,3]=4 797 B9R1.13 CC(=O)C[n]1ccc[n]1 Amb21988437 [0,0,0,0,1,0|2,0,1]=4 798 B9R1.13 CC(=O)Cc1c[nH]c[n]1 Amb25832036 [0,0,0,0,1,0|2,0,1]=4 799 B9R1.13 CC(=O)Cc1cc[nH]c1 Amb18893399 [0,0,0,0,1,0|2,0,1]=4 800 B9R1.13 CC(=O)Cc1cc[n]o1 Amb24425365 [0,0,0,0,1,0|1,0,1]=3 801 B9R1.13 CC(=O)Cc1ccoc1 Amb25713513 [0,0,0,0,1,0|2,0,1]=4 802 B9R1.13 CC(=O)Cn1cccn1 Amb1092543 [0,0,0,0,1,0|2,0,1]=4 803 B9R1.13 CC(=O)Nc1c[n]c[nH]1 Amb25125301 [0,0,0,0,1,0|3,0,0]=4 804 B9R1.13 CC(=O)Nc1c[n]c[s]1 Amb24103761 [0,0,0,0,1,0|2,1,0]=4 805 B9R1.13 CC(=O)Nc1cc[n]o1 Amb25345903 [0,0,0,0,1,0|2,0,0]=3 806 B9R1.13 CC(=O)Nc1cc[s][n]1 Amb24381433 [0,0,0,0,1,0|3,0,0]=4 807 B9R1.13 CC(=O)Nc1cccs1 Amb2228309 [0,0,0,0,1,0|1,1,0]=3 808 B9R1.13 CC(=O)Nc1ncc[nH]1 Amb2182759 [0,0,0,0,1,0|3,0,0]=4 809 B9R1.13 CC(=O)Oc1c[nH]c[n]1 Amb24708608 [0,0,0,0,1,0|3,0,0]=4 810 B9R1.13 CC(=O)Oc1cc[nH]c1 Amb24476976 [0,0,0,0,1,0|3,0,0]=4 811 B9R1.13 CC(=O)Oc1ccc[s]1 Amb24566730 [0,0,0,0,1,0|1,1,0]=3 812 B9R1.13 CC(=O)Oc1cocc1 Amb24583167 [0,0,0,0,1,0|3,0,0]=4 813 B9R1.13 CC(=O)Sc1c[s]cc1 Amb24727644 [0,0,0,0,1,0|3,0,0]=4 814 B9R1.13 CC(=O)Sc1ccc[s]1 Amb25235134 [0,0,0,0,1,0|1,1,0]=3 815 B9R1.13 CC(=O)Sc1ccco1 Amb24511658 [0,0,0,0,1,0|1,0,0]=2 816 B9R1.13 CC(=O)\C=C/1\CCCO1 Amb25241353 [0,0,0,0,1,0|0,0,3]=4 817 B9R1.13 CC(Br)Cc1ccco1 Amb25074648 [0,0,0,0,1,0|1,0,2]=4 818 B9R1.13 CC(C)=Cc1c[nH]cc1 Amb24763747 [0,0,0,0,1,0|3,0,0]=4 819 B9R1.13 CC(O)Cc1ccco1 Amb22748663 [0,0,0,0,1,0|0,0,3]=4 820 B9R1.13 CC(O)Nc1ccco1 Amb24392212 [0,0,0,0,1,0|1,0,2]=4 821 B9R1.13 CC(S)Cc1ccco1 Amb25132353 [0,0,0,0,1,0|0,1,2]=4 822 B9R1.13 CN(C)Cc1ccco1 Amb22730011 [0,0,0,0,1,0|2,0,1]=4 823 B9R1.13 CN(N)Cc1ccco1 Amb25216114 [0,0,0,0,1,0|2,0,1]=4 824 B9R1.13 CS(=O)Cc1ccc[s]1 Amb25746950 [0,0,0,0,1,0|1,1,1]=4 825 B9R1.13 C[C@@H](O)Cc1ccco1 Amb24433279 [0,0,0,0,1,0|0,0,3]=4 826 B9R1.13 ClC(Cl)=Cc1ccco1 Amb24559898 [0,0,0,0,1,0|2,0,0]=3 827 B9R1.13 F\C(\Cl)=C\c1ccco1 Amb24665869 [0,0,0,0,1,0|2,0,0]=3 828 B9R1.13 NC(=O)Cc1ccc[nH]1 Amb22886650 [0,0,0,0,1,0|2,0,1]=4 829 B9R1.13 NC(=O)Cc1ccco1 Amb24534382 [0,0,0,0,1,0|1,0,1]=3 830 B9R1.13 NC(=O)Oc1ccc[nH]1 Amb24763643 [0,0,0,0,1,0|3,0,0]=4 831 B9R1.13 NC(=O)Sc1ccc[s]1 Amb24406078 [0,0,0,0,1,0|2,1,0]=4 832 B9R1.13 O=C(Cl)Cc1ccco1 Amb25124003 [0,0,0,0,1,0|1,0,1]=3 833 B9R1.13 O=C(Cl)Oc1ccco1 Amb25258766 [0,0,0,0,1,0|2,0,0]=3 834 B9R1.13 O=C(Cl)Sc1ccc[nH]1 Amb25690947 [0,0,0,0,1,0|3,0,0]=4 835 B9R1.13 O=C(Cl)Sc1ccc[s]1 Amb24696820 [0,0,0,0,1,0|2,1,0]=4 836 B9R1.13 O=C(F)Sc1ccc[s]1 Amb25178865 [0,0,0,0,1,0|2,1,0]=4 837 B9R1.13 OC(=O)Cc1[cH-]ccc1 Amb24122585 [0,0,0,0,1,0|2,0,1]=4 838 B9R1.13 OC(=O)Sc1ccco1 Amb24695916 [0,0,0,0,1,0|2,0,0]=3 839 B11R1.91 CC(=C)\C=C\c1ccc[n]c1 Amb24085618 [0,0,0,0,0,1|2,0,0]=3 840 B11R1.91 CC(=C)\C=C\c1ccccc1 Amb22546632 [0,0,0,0,0,1|2,0,0]=3 841 B11R1.91 CC(=O)C#Cc1c[n]cc[n]1 Amb25151538 [0,0,0,0,0,1|1,0,2]=4 842 B11R1.91 CC(=O)C=Cc1ccc[nH+]c1 Amb24099599 [0,0,0,0,0,1|1,0,0]=2 843 B11R1.91 CC(=O)CCc1[n]ccc[n]1 Amb24726140 [0,0,0,0,0,1|1,0,2]=4 844 B11R1.91 CC(=O)CCc1c[n]cc[n]1 Amb25307907 [0,0,0,0,0,1|1,0,2]=4 845 B11R1.91 CC(=O)CCc1ccccn1 Amb17507163 [0,0,0,0,0,1|1,0,2]=4 846 B11R1.91 CC(=O)CCc1cccnc1 Amb17507164 [0,0,0,0,0,1|1,0,2]=4 847 B11R1.91 CC(=O)CCc1ccncc1 Amb17507165 [0,0,0,0,0,1|1,0,2]=4 848 B11R1.91 CC(=O)CNc1ccccc1 Amb24447025 [0,0,0,0,0,1|2,0,1]=4 849 B11R1.91 CC(=O)CSc1cc[n]c[n]1 Amb24477647 [0,0,0,0,0,1|2,0,1]=4 850 B11R1.91 CC(=O)CSc1cc[n]cc1 Amb25344740 [0,0,0,0,0,1|2,0,1]=4 851 B11R1.91 CC(=O)CSc1ccc[n][n]1 Amb24371884 [0,0,0,0,0,1|2,0,1]=4 852 B11R1.91 CC(=O)C\C=C\1/CCCC=C1 Amb25044353 [0,0,0,0,0,1|1,0,2]=4 853 B11R1.91 CC(=O)NCc1[n]ccc[n]1 Amb24704246 [0,0,0,0,0,1|2,0,1]=4 854 B11R1.91 CC(=O)NCc1c[n]cc[n]1 Amb25311243 [0,0,0,0,0,1|2,0,1]=4 855 B11R1.91 CC(=O)NCc1ccccc1 Amb1214455 [0,0,0,0,0,1|2,0,1]=4 856 B11R1.91 CC(=O)NNc1[n]ccc[n]1 Amb25739617 [0,0,0,0,0,1|3,0,0]=4 857 B11R1.91 CC(=O)NNc1c[n]ccc1 Amb25272223 [0,0,0,0,0,1|3,0,0]=4 858 B11R1.91 CC(=O)NNc1cc[n]cc1 Amb24416297 [0,0,0,0,0,1|3,0,0]=4 859 B11R1.91 CC(=O)NNc1ccc[n][n]1 Amb24475669 [0,0,0,0,0,1|3,0,0]=4 860 B11R1.91 CC(=O)NOc1ccccc1 Amb24104585 [0,0,0,0,0,1|3,0,0]=4 861 B11R1.91 CC(=O)OCc1[n]ccc[n]1 Amb22756932 [0,0,0,0,0,1|2,0,1]=4 862 B11R1.91 CC(=O)SCc1ccc[n]c1 Amb22274513 [0,0,0,0,0,1|2,0,1]=4 863 B11R1.91 CC(=O)SCc1cccc[n]1 Amb22274512 [0,0,0,0,0,1|2,0,1]=4 864 B11R1.91 CC(=O)SSc1ccccc1 Amb24370825 [0,0,0,0,0,1|3,0,0]=4 865 B11R1.91 CC(=O)\C=C/c1cccc[n]1 Amb24532942 [0,0,0,0,0,1|1,0,0]=2 866 B11R1.91 CC(=O)\C=C/c1ccccc1 Amb24380759 [0,0,0,0,0,1|1,0,0]=2 867 B11R1.91 CC(=O)\C=C\C1CCCC=C1 Amb25735805 [0,0,0,0,0,1|1,0,2]=4 868 B11R1.91 CC(=O)\C=C\C=1CCCCC1 Amb25052277 [0,0,0,0,0,1|1,0,2]=4 869 B11R1.91 CC(=O)\C=C\c1ccccc1 Amb1658842 [0,0,0,0,0,1|1,0,0]=2 870 B11R1.91 CC(=O)\C=C\c1ccccn1 Amb17477755 [0,0,0,0,0,1|1,0,0]=2 871 B11R1.91 CC(=O)\C=C\c1cccnc1 Amb17477757 [0,0,0,0,0,1|1,0,0]=2 872 B11R1.91 CC(=O)\C=C\c1ccncc1 Amb17477756 [0,0,0,0,0,1|1,0,0]=2 873 B11R1.91 CC(=O)\C=N\c1ccccc1 Amb25230668 [0,0,0,0,0,1|2,0,0]=3 874 B11R1.91 CC(=O)\N=N\c1ccccc1 Amb16231119 [0,0,0,0,0,1|3,0,0]=4 875 B11R1.91 CC(Br)\C=C\c1c[n]ccc1 Amb25150522 [0,0,0,0,0,1|2,0,1]=4 876 B11R1.91 CC(Br)\C=C\c1cccc[n]1 Amb25115437 [0,0,0,0,0,1|2,0,1]=4 877 B11R1.91 CC(C)=CNc1ccccc1 Amb24715634 [0,0,0,0,0,1|3,0,0]=4 878 B11R1.91 CC(C)\C=C/c1ccccc1 Amb22546593 [0,0,0,0,0,1|2,0,1]=4 879 B11R1.91 CC(N)C=Cc1ccccc1 Amb23536549 [0,0,0,0,0,1|2,0,1]=4 880 B11R1.91 CC(N)\C=C\c1c[n]ccc1 Amb24664994 [0,0,0,0,0,1|2,0,1]=4 881 B11R1.91 CC(N)\C=C\c1ccccc1 Amb18124854 [0,0,0,0,0,1|2,0,1]=4 882 B11R1.91 CC(N)\C=C\c1ccccc1 Amb21961471 [0,0,0,0,0,1|2,0,1]=4 883 B11R1.91 CC(O)\C=C\c1c[n]ccc1 Amb25847379 [0,0,0,0,0,1|1,0,2]=4 884 B11R1.91 CC(\C=C\c1ccccc1)O Amb17593695 [0,0,0,0,0,1|1,0,2]=4 885 B11R1.91 CC(\C=C\c1ccccn1)C Amb10574376 [0,0,0,0,0,1|2,0,1]=4 886 B11R1.91 CN(C)C=Cc1cc[n]cc1 Amb24102740 [0,0,0,0,0,1|3,0,0]=4 887 B11R1.91 CN(C)\C=C/c1cccc[n]1 Amb24068892 [0,0,0,0,0,1|3,0,0]=4 888 B11R1.91 CN(C)\C=C\c1[n]ccc[n]1 Amb24518397 [0,0,0,0,0,1|3,0,0]=4 889 B11R1.91 CN(C)\C=C\c1c[n]ccc1 Amb22394894 [0,0,0,0,0,1|3,0,0]=4 890 B11R1.91 CN(C)\C=C\c1cc[n]c[n]1 Amb24420049 [0,0,0,0,0,1|3,0,0]=4 891 B11R1.91 CN(C)\C=C\c1cc[n]cc1 Amb24355668 [0,0,0,0,0,1|3,0,0]=4 892 B11R1.91 CN(C)\C=C\c1cccc[n]1 Amb24068827 [0,0,0,0,0,1|3,0,0]=4 893 B11R1.91 CN(C)\C=C\c1ccccc1 Amb25056753 [0,0,0,0,0,1|3,0,0]=4 894 B11R1.91 C[C@@H](N)\C=C\c1ccccc1 Amb24359903 [0,0,0,0,0,1|2,0,1]=4 895 B11R1.91 C[C@@H](O)\C=C\c1c[n]ccc1 Amb24698684 [0,0,0,0,0,1|1,0,2]=4 896 B11R1.91 C[C@H](N)\C=C\c1ccccc1 Amb25809484 [0,0,0,0,0,1|2,0,1]=4 897 B11R1.91 C\C(\N)=C\Oc1ccccc1 Amb24674154 [0,0,0,0,0,1|3,0,0]=4 898 B11R1.91 NC(=N)C=Cc1ccccc1 Amb22464717 [0,0,0,0,0,1|3,0,0]=4 899 B11R1.91 NC(=N)\C=C\c1ccccc1 Amb22755484 [0,0,0,0,0,1|3,0,0]=4 900 B11R1.91 NC(=N)\C=C\c1ccccc1 Amb22756994 [0,0,0,0,0,1|3,0,0]=4 901 B11R1.91 NC(=O)\C=C/c1cccnc1 Amb10552966 [0,0,0,0,0,1|2,0,0]=3 902 B11R1.91 NC(=O)\C=C\C1CCC=CO1 Amb24474083 [0,0,0,0,0,1|1,0,2]=4 903 B11R1.91 NC(=S)\C=C\c1cc[n]cc1 Amb25779950 [0,0,0,0,0,1|2,1,0]=4 904 B11R1.91 NC(=S)\C=C\c1ccccc1 Amb18105844 [0,0,0,0,0,1|2,1,0]=4 905 B11R1.91 OC(=O)C=CC1CCC=CO1 Amb19330465 [0,0,0,0,0,1|1,0,2]=4 906 B11R1.91 OC(=O)C=Cc1c[n]cc[n]1 Amb24082749 [0,0,0,0,0,1|2,0,0]=3 907 B11R1.91 OC(=O)\C=C/c1[n]ccc[n]1 Amb25830337 [0,0,0,0,0,1|2,0,0]=3 908 B11R1.91 OC(=O)\C=C/c1cc[n]cc1 Amb20622011 [0,0,0,0,0,1|2,0,0]=3 909 B11R1.91 OC(=O)\C=C/c1ccc[n]c1 Amb25378742 [0,0,0,0,0,1|2,0,0]=3 910 B11R1.91 OC(=O)\C=C/c1ccccn1 Amb10071558 [0,0,0,0,0,1|2,0,0]=3 911 B11R1.91 OC(=O)\C=C\C1CCC=CO1 Amb25145804 [0,0,0,0,0,1|1,0,2]=4 912 B11R1.91 OC(=O)\C=C\C=1C=CCCN1 Amb24617707 [0,0,0,0,0,1|2,0,1]=4 913 B11R1.91 OC(=O)\C=C\C=1COCCC1 Amb24649970 [0,0,0,0,0,1|1,0,2]=4 914 B11R1.91 OC(=O)\C=C\N1CC=CC=C1 Amb22015329 [0,0,0,0,0,1|3,0,0]=4 915 B11R1.91 OC(=O)\C=C\c1cc[n][n]c1 Amb18125071 [0,0,0,0,0,1|3,0,0]=4 916 B11R1.91 OC(=O)\C=C\c1cc[n]c[n]1 Amb25337419 [0,0,0,0,0,1|2,0,0]=3 917 B11R1.91 OC(=O)\C=C\c1ccc[n][n]1 Amb18125070 [0,0,0,0,0,1|2,0,0]=3 918 B11R1.91 OC(=O)\C=C\c1ccccc1 Amb22366387 [0,0,0,0,0,1|2,0,0]=3 919 B11R1.91 OC(=O)\C=C\c1ccncc1 Amb1107607 [0,0,0,0,0,1|2,0,0]=3 920 B11R1.91 OC(=O)\C=C\c1cnccn1 Amb10609139 [0,0,0,0,0,1|2,0,0]=3 921 B11R1.91 OC(=O)\C=C\c1ncccn1 Amb17593721 [0,0,0,0,0,1|2,0,0]=3 922 B11R1.91 OC(=O)\C=N/c1cc[n]cc1 Amb24068310 [0,0,0,0,0,1|3,0,0]=4 923 B11R1.91 OC(=O)\C=N\c1ccccc1 Amb25243930 [0,0,0,0,0,1|3,0,0]=4 924 B11R1.91 [O-]C(=O)\C=C\c1ccccc1 Amb1814995 [0,0,0,0,0,1|2,0,0]=3 925 B11R1.91 [O-]C(=O)\C=C\c1ccccc1 Amb22360910 [0,0,0,0,0,1|2,0,0]=3 926 B11R1.91 [O-][N+](=O)C=Cc1c[n]ccc1 Amb19515469 [0,0,0,0,0,1|3,0,0]=4 927 B11R1.91 [O-][N+](=O)C=Cc1cc[n]cc1 Amb19374504 [0,0,0,0,0,1|3,0,0]=4 928 B11R1.91 [O-][N+](=O)C=Cc1cc[n]cc1 Amb24096963 [0,0,0,0,0,1|3,0,0]=4 929 B11R1.91 [O-][N+](=O)C=Cc1cccc[n]1 Amb19373998 [0,0,0,0,0,1|3,0,0]=4 930 B11R1.91 [O-][N+](=O)\C=C/c1ccncc1 Amb1054083 [0,0,0,0,0,1|3,0,0]=4 931 B11R1.91 [O-][N+](=O)\C=C\c1cc[n]c[n]1 Amb24504900 [0,0,0,0,0,1|3,0,0]=4 932 B11R1.91 [O-][N+](=O)\C=C\c1cc[n]cc1 Amb22551044 [0,0,0,0,0,1|3,0,0]=4 933 B11R1.91 [O-][N+](=O)\C=C\c1cccc[n]1 Amb24106744 [0,0,0,0,0,1|3,0,0]=4 934 B11R1.172 CC(=C)CNCc1ccco1 Amb17308692 [0,0,0,0,0,1|1,0,2]=4 935 B11R1.172 CC(=C)CSCc1ccco1 Amb25372097 [0,0,0,0,0,1|1,0,2]=4 936 B11R1.172 CC(=N)NCCc1ccco1 Amb25807660 [0,0,0,0,0,1|1,0,2]=4 937 B11R1.172 CC(=O)C=C=Cc1ccco1 Amb24689517 [0,0,0,0,0,1|0,0,0]=1 938 B11R1.172 CC(=O)CCCc1ccco1 Amb17232099 [0,0,0,0,0,1|0,0,2]=3 939 B11R1.172 CC(=O)CCCc1cccs1 Amb17232678 [0,0,0,0,0,1|0,1,2]=4 940 B11R1.172 CC(=O)COCc1ccc[s]1 Amb18185636 [0,0,0,0,0,1|0,1,2]=4 941 B11R1.172 CC(=O)COCc1ccco1 Amb18182896 [0,0,0,0,0,1|0,0,2]=3 942 B11R1.172 CC(=O)C\C=C\c1ccoc1 Amb24380858 [0,0,0,0,0,1|2,0,0]=3 943 B11R1.172 CC(=O)N/N=C/c1ccc[nH]1 Amb17789549 [0,0,0,0,0,1|2,0,0]=3 944 B11R1.172 CC(=O)N/N=C/c1ccsc1 Amb17860763 [0,0,0,0,0,1|3,0,0]=4 945 B11R1.172 CC(=O)NN=Cc1c[n]c[s]1 Amb25788731 [0,0,0,0,0,1|2,1,0]=4 946 B11R1.172 CC(=O)NOCc1cc[n]o1 Amb25820933 [0,0,0,0,0,1|2,0,1]=4 947 B11R1.172 CC(=O)N\C=C\c1ccc[s]1 Amb25041177 [0,0,0,0,0,1|0,1,0]=2 948 B11R1.172 CC(=O)N\N=C\c1[nH]cc[n]1 Amb25261693 [0,0,0,0,0,1|3,0,0]=4 949 B11R1.172 CC(=O)N\N=C\c1cc[nH]c1 Amb25106524 [0,0,0,0,0,1|3,0,0]=4 950 B11R1.172 CC(=O)OCCc1ccc[s]1 Amb24756179 [0,0,0,0,0,1|0,1,2]=4 951 B11R1.172 CC(=O)O\N=C\c1ccc[nH]1 Amb25377470 [0,0,0,0,0,1|2,0,0]=3 952 B11R1.172 CC(=O)\C=N\Nc1[n]cc[s]1 Amb24509601 [0,0,0,0,0,1|2,1,0]=4 953 B11R1.172 CC(N)C\C=C\c1ccco1 Amb25210593 [0,0,0,0,0,1|1,0,1]=3 954 B11R1.172 CN(C)C\C=C\c1ccc[nH]1 Amb24638927 [0,0,0,0,0,1|3,0,0]=4 955 B11R1.172 CN(C)\C=N\Cc1ccco1 Amb25105730 [0,0,0,0,0,1|2,0,1]=4 956 B11R1.172 NC(=N)N\N=C\c1ccco1 Amb1032313 [0,0,0,0,0,1|3,0,0]=4 957 B11R1.172 NC(=N)N\N=C\c1ccco1 Amb22282885 [0,0,0,0,0,1|3,0,0]=4 958 B11R1.172 NC(=O)CNCc1ccco1 Amb1131866 [0,0,0,0,0,1|1,0,2]=4 959 B11R1.172 NC(=O)COCc1ccco1 Amb18182960 [0,0,0,0,0,1|1,0,2]=4 960 B11R1.172 NC(=O)CSCc1ccco1 Amb18806883 [0,0,0,0,0,1|1,0,2]=4 961 B11R1.172 NC(=O)NCCc1ccco1 Amb18182898 [0,0,0,0,0,1|1,0,2]=4 962 B11R1.172 NC(=O)N\N=C\c1cccs1 Amb1014501 [0,0,0,0,0,1|2,1,0]=4 963 B11R1.172 NC(=O)O\N=C\c1ccco1 Amb24538169 [0,0,0,0,0,1|2,0,0]=3 964 B11R1.172 NC(=S)N\N=C\c1ccco1 Amb1157569 [0,0,0,0,0,1|2,1,0]=4 965 B11R1.172 N\C(=N\N=C\c1ccco1)\S Amb16202517 [0,0,0,0,0,1|2,1,0]=4 966 B11R1.172 OC(=O)CC#Cc1ccco1 Amb25229145 [0,0,0,0,0,1|1,0,2]=4 967 B11R1.172 OC(=O)CCCc1ccco1 Amb18125675 [0,0,0,0,0,1|1,0,2]=4 968 B11R1.172 OC(=O)C\C=C\c1c[nH]c[n]1 Amb25081986 [0,0,0,0,0,1|3,0,0]=4 969 B11R1.172 OC(=O)C\C=C\c1cc[nH]c1 Amb18065342 [0,0,0,0,0,1|3,0,0]=4 970 B11R1.172 OC(=O)C\C=C\c1cc[s]c1 Amb25238418 [0,0,0,0,0,1|3,0,0]=4 971 B11R1.172 OC(=O)C\C=C\c1ccc[nH]1 Amb25716959 [0,0,0,0,0,1|2,0,0]=3 972 B11R1.172 OC(=O)C\C=C\c1ccc[s]1 Amb18563846 [0,0,0,0,0,1|1,1,0]=3 973 B11R1.172 OC(=O)C\C=C\c1ccco1 Amb23441783 [0,0,0,0,0,1|1,0,0]=2 974 B11R1.172 OC(=O)\C=C\C[n]1ccc[n]1 Amb18296131 [0,0,0,0,0,1|3,0,0]=4 975 B11R1.172 OC(=O)\C=C\C[n]1cccc1 Amb25829962 [0,0,0,0,0,1|3,0,0]=4 976 B11R1.172 OC(=O)\C=C\Cc1ccco1 Amb25060755 [0,0,0,0,0,1|1,0,0]=2 977 B11R1.172 OC(=O)\C=C\N[n]1cccc1 Amb24529013 [0,0,0,0,0,1|3,0,0]=4 978 B11R1.172 OC(=O)\C=C\Nc1cc[s]c1 Amb25710556 [0,0,0,0,0,1|3,0,0]=4 979 B11R1.172 OC(=O)\C=C\Nc1nccs1 Amb2525886 [0,0,0,0,0,1|2,1,0]=4 980 B11R1.172 OC(=O)\C=C\Sc1[n]cc[s]1 Amb24539465 [0,0,0,0,0,1|2,1,0]=4 981 B11R1.172 OC(=O)\C=C\Sc1[n]cco1 Amb25148165 [0,0,0,0,0,1|2,0,0]=3 982 B11R1.172 OC(=O)\C=C\Sc1ccc[s]1 Amb25117187 [0,0,0,0,0,1|1,1,0]=3 983 B11R1.172 [O-]C(=O)COCc1ccco1 Amb10610157 [0,0,0,0,0,1|1,0,2]=4 984 B11R1.172 [O-][N+](=O)C\C=C\c1ccco1 Amb24538917 [0,0,0,0,0,1|2,0,0]=3 985 B8R0.4 C=CCOC\C=C/C=O Amb25373418 [1,0,1,0,0,0|0,0,2]=4 986 B8R0.4 C=CC\C=C\C=C/C=O Amb18642058 [1,0,1,0,0,0|1,0,1]=4 987 B8R0.4 C=CC\C=C\C=CC=O Amb25259279 [1,0,1,0,0,0|1,0,1]=4 988 B8R0.4 C=CC\C=C\C=C\C=O Amb25772895 [1,0,1,0,0,0|1,0,1]=4 989 B8R0.4 CC=CC=CC=CC=O Amb24632185 [1,0,1,0,0,0|0,0,1]=3 990 B8R0.4 CC=CC=CC=CCBr Amb24519440 [1,0,1,0,0,0|1,0,1]=4 991 B8R0.4 CC=CC=CC=CCO Amb25741427 [1,0,1,0,0,0|0,0,1]=3 992 B8R0.4 COC=CC=CC=CBr Amb24626652 [1,0,1,0,0,0|2,0,0]=4 993 B8R0.4 C\C=C\C=C\C=C\C=O Amb17593248 [1,0,1,0,0,0|0,0,1]=3 994 B8R0.4 NC=CC=CC=CC=O Amb24477820 [1,0,1,0,0,0|1,0,0]=3 995 B8R0.4 O=CC=CC=CC=CBr Amb25237493 [1,0,1,0,0,0|1,0,0]=3 996 B8R0.4 O=C\C=C/C=C\CC=O Amb24496324 [1,0,1,0,0,0|0,0,2]=4 997 B8R0.4 O=C\C=C\C=C\C=C\Cl Amb25706814 [1,0,1,0,0,0|1,0,0]=3 998 B8R0.4 O=C\C=C\OC=CC=O Amb25275424 [1,0,1,0,0,0|1,0,1]=4 999 B8R0.4 O=C\C=C\O\C=C\C=O Amb18642366 [1,0,1,0,0,0|1,0,1]=4 1000 B8R0.4 OCC=CC=CC=CBr Amb24565670 [1,0,1,0,0,0|1,0,1]=4 1001 B8R0.4 OC\C=C\C=C\C=C\Br Amb25092806 [1,0,1,0,0,0|1,0,1]=4 1002 B8R0.4 [O-]\C=C\C=C\C=C\C=O Amb24639146 [1,0,1,0,0,0|0,0,1]=3 1003 B8R0.7 C=CCO\C=C\C(O)=O Amb24471908 [1,0,1,0,0,0|1,0,1]=4 1004 B8R0.7 C=C\C=C\C=C\C(O)=O Amb25785031 [1,0,1,0,0,0|1,0,0]=3 1005 B8R0.7 CC(=O)CC\C=C/C=C Amb24736163 [1,0,1,0,0,0|0,0,2]=4 1006 B8R0.7 CC(=O)CC\C=C\C=C Amb24686743 [1,0,1,0,0,0|0,0,2]=4 1007 B8R0.7 CC(=O)C\C=C/CC=C Amb24584479 [1,0,1,0,0,0|0,0,2]=4 1008 B8R0.7 CC(=O)\C=C/C=C\C=O Amb25239361 [1,0,1,0,0,0|0,0,1]=3 1009 B8R0.7 CC(=O)\C=C/CCC=C Amb25267525 [1,0,1,0,0,0|0,0,2]=4 1010 B8R0.7 CC(=O)\C=C/NCC=C Amb25043340 [1,0,1,0,0,0|1,0,1]=4 1011 B8R0.7 CC(=O)\C=C\C=C/C=C Amb25723853 [1,0,1,0,0,0|0,0,0]=2 1012 B8R0.7 CC(=O)\C=C\C=CC=C Amb24634570 [1,0,1,0,0,0|0,0,0]=2 1013 B8R0.7 CC(=O)\C=C\C=CCCl Amb24696571 [1,0,1,0,0,0|1,0,1]=4 1014 B8R0.7 CC(=O)\C=C\C=C\C=C Amb25707424 [1,0,1,0,0,0|0,0,0]=2 1015 B8R0.7 CC(=O)\C=C\C=C\C=O Amb18642168 [1,0,1,0,0,0|0,0,1]=3 1016 B8R0.7 CC(=O)\C=C\NCC=C Amb25062615 [1,0,1,0,0,0|1,0,1]=4 1017 B8R0.7 CC(=O)\C=C\SCC=C Amb25116579 [1,0,1,0,0,0|0,1,1]=4 1018 B8R0.7 CC\C=C\C=CC(C)=O Amb25258167 [1,0,1,0,0,0|0,0,2]=4 1019 B8R0.7 CC\C=C\C=C\C(C)=O Amb24667251 [1,0,1,0,0,0|0,0,2]=4 1020 B8R0.7 CO\C=C/C=C/C(C)=O Amb24606821 [1,0,1,0,0,0|1,0,1]=4 1021 B8R0.7 CO\C=C\C=C\C(C)=O Amb25714252 [1,0,1,0,0,0|1,0,1]=4 1022 B8R0.7 C\C=C\C=C/C=C(C)C Amb22641676 [1,0,1,0,0,0|1,0,1]=4 1023 B8R0.7 C\C=C\C=C/CC(C)=O Amb25837209 [1,0,1,0,0,0|0,0,2]=4 1024 B8R0.7 NC(=O)\C=C/C=C/CO Amb25820847 [1,0,1,0,0,0|1,0,1]=4 1025 B8R0.7 OC(=O)\C=C\C=C\C=O Amb18642364 [1,0,1,0,0,0|1,0,1]=4 1026 B8R0.7 OC\C=C\C=C\C(O)=O Amb18642572 [1,0,1,0,0,0|1,0,1]=4 1027 B8R0.9 CC(=O)C=CC(=O)C=C Amb24061722 [1,0,1,0,0,0|0,0,1]=3 1028 B8R0.9 CC(=O)C\C=C(/C)\C=C Amb25198446 [1,0,1,0,0,0|0,0,2]=4 1029 B8R0.9 CC(=O)C\C=C(\C)/C=C Amb24686521 [1,0,1,0,0,0|0,0,2]=4 1030 B8R0.9 CC(=O)\C=C/C(=O)C=O Amb25756958 [1,0,1,0,0,0|1,0,1]=4 1031 B8R0.9 CC(=O)\C=C/C(=O)OC Amb25031885 [1,0,1,0,0,0|1,0,1]=4 1032 B8R0.9 CC(=O)\C=C/C(O)C=O Amb24478568 [1,0,1,0,0,0|1,0,1]=4 1033 B8R0.9 CC(=O)\C=C\C(=O)C=O Amb18642365 [1,0,1,0,0,0|1,0,1]=4 1034 B8R0.9 CC(=O)\C=C\C(=O)OC Amb22336182 [1,0,1,0,0,0|1,0,1]=4 1035 B8R0.1 C\C(=C/C=O)\C=C\C=O Amb25093693 [1,0,1,0,0,0|2,0,0]=4 1036 B8R0.1 C\C=C\C(O)C=CC=O Amb25339710 [1,0,1,0,0,0|0,0,2]=4 1037 B8R0.1 C\C=C\C(O)\C=C\C=O Amb18642411 [1,0,1,0,0,0|0,0,2]=4 1038 B8R0.1 O\C(=C/C=O)\C=C\C=O Amb25081428 [1,0,1,0,0,0|1,0,0]=3 1039 B8R0.1 O\C(=C\C=O)\C=CC=O Amb25339636 [1,0,1,0,0,0|1,0,0]=3 1040 B8R1.8 Br\C=C/c1ccc[s]1 Amb25286558 [2,0,0,0,0,0|1,1,0]=4 1041 B8R1.8 Br\C=C/c1ccco1 Amb24505348 [2,0,0,0,0,0|1,0,0]=3 1042 B8R1.8 Br\C=C\c1ccc[s]1 Amb25305690 [2,0,0,0,0,0|1,1,0]=4 1043 B8R1.8 C=C=Cc1ccc[s]1 Amb25258062 [2,0,0,0,0,0|0,1,1]=4 1044 B8R1.8 C=CCc1ccc[nH]1 Amb25075519 [2,0,0,0,0,0|1,0,1]=4 1045 B8R1.8 C=CNc1ccco1 Amb24516221 [2,0,0,0,0,0|1,0,0]=3 1046 B8R1.8 C=CSc1ccc[nH]1 Amb24481497 [2,0,0,0,0,0|2,0,0]=4 1047 B8R1.8 CC#Cc1ccco1 Amb24596672 [2,0,0,0,0,0|0,0,2]=4 1048 B8R1.8 CCCc1ccco1 Amb10070288 [2,0,0,0,0,0|0,0,2]=4 1049 B8R1.8 CCOc1ccco1 Amb25222294 [2,0,0,0,0,0|1,0,1]=4 1050 B8R1.8 CNCc1ccco1 Amb1153202 [2,0,0,0,0,0|1,0,1]=4 1051 B8R1.8 COCc1ccco1 Amb24116969 [2,0,0,0,0,0|1,0,1]=4 1052 B8R1.8 C[SiH2]Oc1ccco1 Amb25025922 [2,0,0,0,0,0|1,1,0]=4 1053 B8R1.8 C\C=C\c1[nH]cc[n]1 Amb25127941 [2,0,0,0,0,0|2,0,0]=4 1054 B8R1.8 C\C=C\c1c[n]co1 Amb25746946 [2,0,0,0,0,0|1,0,0]=3 1055 B8R1.8 C\C=C\c1ccco1 Amb25375449 [2,0,0,0,0,0|0,0,0]=2 1056 B8R1.8 C\N=C\c1ccco1 Amb25186851 [2,0,0,0,0,0|1,0,0]=3 1057 B8R1.8 Cl\C=C/c1ccco1 Amb25746738 [2,0,0,0,0,0|1,0,0]=3 1058 B8R1.8 Cl\C=C\c1ccc[s]1 Amb24635042 [2,0,0,0,0,0|1,1,0]=4 1059 B8R1.8 I\C=C\c1ccc[s]1 Amb25663240 [2,0,0,0,0,0|1,1,0]=4 1060 B8R1.8 I\C=C\c1ccco1 Amb24697510 [2,0,0,0,0,0|1,0,0]=3 1061 B8R1.8 N\C=C\C=1BC=CC1 Amb24482577 [2,0,0,0,0,0|2,0,0]=4 1062 B8R1.8 N\C=C\c1[n]cco1 Amb24696858 [2,0,0,0,0,0|2,0,0]=4 1063 B8R1.8 N\C=C\c1ccc[s]1 Amb25745218 [2,0,0,0,0,0|1,1,0]=4 1064 B8R1.8 N\N=C\c1ccco1 Amb24370911 [2,0,0,0,0,0|2,0,0]=4 1065 B8R1.8 O=C=Cc1ccco1 Amb25025665 [2,0,0,0,0,0|0,0,1]=3 1066 B8R1.8 O=CCc1c[n]co1 Amb24653904 [2,0,0,0,0,0|1,0,1]=4 1067 B8R1.8 O=CCc1ccc[nH]1 Amb24763675 [2,0,0,0,0,0|1,0,1]=4 1068 B8R1.8 O=CCc1ccco1 Amb17089526 [2,0,0,0,0,0|0,0,1]=3 1069 B8R1.8 O=CCc1cccs1 Amb17089527 [2,0,0,0,0,0|0,1,1]=4 1070 B8R1.8 O=COc1ccc[nH]1 Amb24756546 [2,0,0,0,0,0|2,0,0]=4 1071 B8R1.8 O=C\C=C/1\C=CSS1 Amb25136967 [2,0,0,0,0,0|1,1,0]=4 1072 B8R1.8 O\N=C/c1ccco1 Amb10068736 [2,0,0,0,0,0|1,0,1]=4 1073 B10R0.3 CC(=O)C\C=C\C(C)=CC=O Amb24766816 [0,1,1,0,0,0|0,0,2]=4 1074 B10R0.3 CC(=O)C\C=C\C(\C)=C\C=O Amb24765090 [0,1,1,0,0,0|0,0,2]=4 1075 B10R0.3 CC(C)=CC=C\C(\C)=C\C=O Amb24513176 [0,1,1,0,0,0|1,0,1]=4 1076 B10R0.3 CC(C)=CC=C\C(\C)=C\CO Amb25201394 [0,1,1,0,0,0|1,0,1]=4 1077 B10R0.3 CC(C)=C\C=C\C(\C)=C/C=O Amb25046792 [0,1,1,0,0,0|1,0,1]=4 1078 B10R0.3 CC(C)=C\C=C\C(\C)=C\C=O Amb18125167 [0,1,1,0,0,0|1,0,1]=4 1079 B10R0.3 CC(C=NO)=CC=CC(C)=O Amb25205437 [0,1,1,0,0,0|1,0,0]=3 1080 B10R0.4 C=C\C=C\C=C\C=C\C(O)=O Amb25386381 [0,1,1,0,0,0|2,0,0]=4 1081 B10R0.4 CC(=O)\C=C\C=C\C=C\C=O Amb25384480 [0,1,1,0,0,0|0,0,1]=3 1082 B10R0.6 CC(=O)\C=C(/O)\C=C/C=C/C Amb25151460 [0,1,1,0,0,0|1,0,0]=3 1083 B10R0.6 CC(C)=CC(=O)C=C\C=C\C Amb25372965 [0,1,1,0,0,0|2,0,0]=4 1084 B10R0.55 CC(=O)\C=C\C=C/C(=O)OC Amb24765300 [0,1,1,0,0,0|2,0,0]=4 1085 B10R0.55 CC(=O)\C=C\C=C\C(=O)OC Amb24766505 [0,1,1,0,0,0|2,0,0]=4 1086 B10R0.74 C\C(=C/C=C/C=C/C=O)\C#C Amb25055855 [0,1,1,0,0,0|1,0,1]=4 1087 B10R0.74 C\C(=C/C=C/C=C/C=O)\C=O Amb24765099 [0,1,1,0,0,0|0,0,1]=3 1088 B10R0.74 C\C(=C/C=C\C=C\C=O)\C=O Amb24765108 [0,1,1,0,0,0|0,0,1]=3 1089 B10R0.74 C\C=C\C=C\C=C\C(=O)CC Amb24766965 [0,1,1,0,0,0|1,0,0]=3 1090 B10R0.75 CC=CC=CC=C(C)C(C)=O Amb24706923 [0,1,1,0,0,0|1,0,0]=3 1091 B10R0.75 C\C(=C/C=C/C=C/C)\C(O)=O Amb24373133 [0,1,1,0,0,0|2,0,0]=4 1092 B10R0.78 C=CCOC(=O)\C=C\C(O)=O Amb24117067 [0,1,1,0,0,0|1,0,1]=4 1093 B10R0.97 CC(=O)N\C=N\C=C\C(O)=O Amb24355904 [0,1,1,0,0,0|2,0,0]=4 1094 B10R0.97 CC(=O)\C=C/N\C=C/C(C)=O Amb24483924 [0,1,1,0,0,0|1,0,1]=4 1095 B10R0.97 CC(=O)\C=C\NC=CC(C)=O Amb25179007 [0,1,1,0,0,0|1,0,1]=4 1096 B10R0.97 CC(=O)\C=C\N\C=C/C(C)=O Amb25735079 [0,1,1,0,0,0|1,0,1]=4 1097 B10R0.97 CC(=O)\C=C\O\C=C\C(C)=O Amb24765186 [0,1,1,0,0,0|1,0,1]=4 1098 B10R0.97 OC(=O)\C=C/S\C=C/C(O)=O Amb18647804 [0,1,1,0,0,0|2,0,0]=4 1099 B10R0.32 C\C=C/C(=O)\C(\C)=C\C(C)=O Amb25358560 [0,1,1,0,0,0|0,0,2]=4 1100 B10R0.32 C\C=C\C(=O)\C(\C)=C/C(C)=O Amb25359016 [0,1,1,0,0,0|0,0,2]=4 1101 B10R0.32 C\C=C\C(=O)\C(\C)=C\C(C)=O Amb25066130 [0,1,1,0,0,0|0,0,2]=4 1102 B10R0.57 OC(=O)\C=C\C(O)=C(Cl)C=O Amb25258413 [0,1,1,0,0,0|2,0,0]=4 1103 B10R0.57 OC(=O)\C=C\C(\O)=C(/Cl)\C=O Amb24635724 [0,1,1,0,0,0|2,0,0]=4 1104 B10R0.57 OC(=O)\C=C\C(\O)=C(/O)\C=O Amb24383141 [0,1,1,0,0,0|2,0,0]=4 1105 B10R0.96 CC(=O)\C=C\C(=O)OC(C)=O Amb24766732 [0,1,1,0,0,0|1,0,1]=4 1106 B10R0.96 C\C(=C/C(C)=O)\C=C\C(C)=O Amb25128224 [0,1,1,0,0,0|1,0,1]=4 1107 B10R0.96 C\C(=C\C(C)=O)\C=C\C(C)=O Amb24486221 [0,1,1,0,0,0|1,0,1]=4 1108 B10R0.108 CC(\C=C\C(=O)OC)=CC=O Amb25383527 [0,1,1,0,0,0|2,0,0]=4 1109 B10R0.108 C\C(\C=C\C(=O)OC)=C/C=O Amb25384649 [0,1,1,0,0,0|2,0,0]=4 1110 B10R0.108 C\C(\C=C\C(=O)OC)=C\C=O Amb25383475 [0,1,1,0,0,0|2,0,0]=4 1111 B10R1.11 C=CCC(=O)c1ccco1 Amb10562220 [1,1,0,0,0,0|0,0,2]=4 1112 B10R1.11 C=COC(=O)c1ccco1 Amb17934193 [1,1,0,0,0,0|1,0,1]=4 1113 B10R1.11 C=C\C=C(/N)\c1ccco1 Amb25328276 [1,1,0,0,0,0|0,0,1]=3 1114 B10R1.11 C=C\C=C(\N)/c1ccco1 Amb24595613 [1,1,0,0,0,0|0,0,1]=3 1115 B10R1.11 CC#CC(=O)c1ccco1 Amb25145523 [1,1,0,0,0,0|0,0,2]=4 1116 B10R1.11 CC(NC=O)c1ccco1 Amb24462226 [1,1,0,0,0,0|1,0,1]=4 1117 B10R1.11 CCNC(=N)c1ccco1 Amb25053191 [1,1,0,0,0,0|1,0,1]=4 1118 B10R1.11 CCNC(=O)c1ccco1 Amb17755144 [1,1,0,0,0,0|1,0,1]=4 1119 B10R1.11 CNCC(=O)c1ccco1 Amb21862170 [1,1,0,0,0,0|1,0,1]=4 1120 B10R1.11 CONC(=O)c1ccco1 Amb25310801 [1,1,0,0,0,0|2,0,0]=4 1121 B10R1.11 CO\N=C(/N)\c1ccco1 Amb18224072 [1,1,0,0,0,0|2,0,0]=4 1122 B10R1.11 CSCC(=O)c1ccco1 Amb18791728 [1,1,0,0,0,0|1,0,1]=4 1123 B10R1.11 C[C@H](NC=O)c1ccco1 Amb24630915 [1,1,0,0,0,0|1,0,1]=4 1124 B10R1.11 C\C(=C/C=O)\c1cc[s]c1 Amb24478200 [1,1,0,0,0,0|2,0,0]=4 1125 B10R1.11 C\C(=C/C=O)\c1ccco1 Amb18643065 [1,1,0,0,0,0|0,0,0]=2 1126 B10R1.11 C\C(=C\C#N)\c1ccco1 Amb24728974 [1,1,0,0,0,0|1,0,1]=4 1127 B10R1.11 C\C(=C\C=O)\c1cc[s]c1 Amb24580334 [1,1,0,0,0,0|2,0,0]=4 1128 B10R1.11 C\C(=C\C=O)\c1ccco1 Amb24558002 [1,1,0,0,0,0|0,0,0]=2 1129 B10R1.11 C\C(=C\C=O)\c1ccoc1 Amb24471708 [1,1,0,0,0,0|2,0,0]=4 1130 B10R1.11 C\C(=C\CN)\c1ccco1 Amb24712021 [1,1,0,0,0,0|1,0,1]=4 1131 B10R1.11 C\C(=C\CO)\c1ccco1 Amb25675432 [1,1,0,0,0,0|0,0,2]=4 1132 B10R1.11 C\C(=N\OC)\c1ccco1 Amb24385751 [1,1,0,0,0,0|2,0,0]=4 1133 B10R1.11 C\C=C\C(=O)[n]1cccc1 Amb24708952 [1,1,0,0,0,0|2,0,0]=4 1134 B10R1.11 C\C=C\C(=O)c1c[n]c[s]1 Amb24646601 [1,1,0,0,0,0|1,1,0]=4 1135 B10R1.11 C\C=C\C(=O)c1c[s]c[n]1 Amb25285879 [1,1,0,0,0,0|2,0,0]=4 1136 B10R1.11 C\C=C\C(=O)c1cc[n][s]1 Amb25234983 [1,1,0,0,0,0|1,1,0]=4 1137 B10R1.11 C\C=C\C(=O)c1cc[s]c1 Amb24578318 [1,1,0,0,0,0|2,0,0]=4 1138 B10R1.11 C\C=C\C(=O)c1ccc[s]1 Amb25078713 [1,1,0,0,0,0|0,1,0]=3 1139 B10R1.11 N\C(=C/C=O)\c1ccc[s]1 Amb24509507 [1,1,0,0,0,0|0,1,0]=3 1140 B10R1.11 N\C(=C\C#N)\c1ccco1 Amb24529257 [1,1,0,0,0,0|1,0,1]=4 1141 B10R1.11 N\C(=C\C=O)\c1ccc[s]1 Amb25339218 [1,1,0,0,0,0|0,1,0]=3 1142 B10R1.11 O=C(C=C=O)c1ccc[s]1 Amb25146710 [1,1,0,0,0,0|0,1,1]=4 1143 B10R1.11 O=C(C=C=O)c1ccco1 Amb24380807 [1,1,0,0,0,0|0,0,1]=3 1144 B10R1.11 O=C(NC=O)c1ccc[nH]1 Amb25102969 [1,1,0,0,0,0|2,0,0]=4 1145 B10R1.11 O=C([CH-]C=O)c1ccc[s]1 Amb25770117 [1,1,0,0,0,0|0,1,1]=4 1146 B10R1.11 O=C(\C=C\Cl)c1ccc[s]1 Amb24478325 [1,1,0,0,0,0|1,1,0]=4 1147 B10R1.11 O=C(\C=C\Cl)c1ccco1 Amb24432768 [1,1,0,0,0,0|1,0,0]=3 1148 B10R1.11 O=C=NC(=O)c1ccco1 Amb17231898 [1,1,0,0,0,0|1,0,1]=4 1149 B10R1.11 O=CC=C(c1cccs1)Cl Amb17232924 [1,1,0,0,0,0|0,1,0]=3 1150 B10R1.11 O=CCC(c1ccco1)C Amb17593491 [1,1,0,0,0,0|0,0,2]=4 1151 B10R1.11 O=C\C=C(\Cl)/c1cc[s]c1 Amb25086970 [1,1,0,0,0,0|2,0,0]=4 1152 B10R1.11 O=C\C=C(\c1cscc1)/Cl Amb13777329 [1,1,0,0,0,0|2,0,0]=4 1153 B10R1.11 OC(CC=O)c1ccco1 Amb24478201 [1,1,0,0,0,0|0,0,2]=4 1154 B10R1.11 O\C=C/C(=O)c1ccc[s]1 Amb23320561 [1,1,0,0,0,0|0,1,1]=4 1155 B10R1.11 O\N=C\C(=O)c1ccco1 Amb25195877 [1,1,0,0,0,0|1,0,1]=4 1156 B10R1.11 [N-]=[N+]=CC(=O)c1ccco1 Amb17593439 [1,1,0,0,0,0|2,0,0]=4 1157 B10R1.11 [O-]\C=C\C(=O)c1ccc[s]1 Amb19861237 [1,1,0,0,0,0|0,1,1]=4 1158 B10R1.11 [O-]\C=C\C(=O)c1ccco1 Amb22330559 [1,1,0,0,0,0|0,0,1]=3 1159 B10R1.11 [O-]\C=C\C(=O)c1ccco1 Amb24121225 [1,1,0,0,0,0|0,0,1]=3 1160 B10R1.16 Brc1ccc(\C=C\CBr)o1 Amb24552686 [1,1,0,0,0,0|1,0,1]=4 1161 B10R1.16 CC\N=C\c1ccc(Cl)o1 Amb24743485 [1,1,0,0,0,0|1,0,1]=4 1162 B10R1.16 CN/N=C/c1ccc(C)o1 Amb17803648 [1,1,0,0,0,0|2,0,0]=4 1163 B10R1.16 C[n]1c[n]c(\C=C\C=O)c1 Amb25777995 [1,1,0,0,0,0|2,0,0]=4 1164 B10R1.16 C[n]1ccc(\C=C\C=O)[n]1 Amb24618207 [1,1,0,0,0,0|2,0,0]=4 1165 B10R1.16 Cc1cc(\C=C\C=O)o[n]1 Amb18643128 [1,1,0,0,0,0|1,0,0]=3 1166 B10R1.16 Cc1ccc(\C=C\CCl)o1 Amb25773014 [1,1,0,0,0,0|1,0,1]=4 1167 B10R1.16 Cc1ccc(\C=C\CN)o1 Amb25139173 [1,1,0,0,0,0|1,0,1]=4 1168 B10R1.16 Cc1ccc(\C=N\OC)o1 Amb25315526 [1,1,0,0,0,0|2,0,0]=4 1169 B10R1.16 Cc1ccc(o1)\C=C\C=O Amb17593442 [1,1,0,0,0,0|0,0,0]=2 1170 B10R1.16 Cc1ccc(o1)\C=C\CO Amb17593490 [1,1,0,0,0,0|0,0,2]=4 1171 B10R1.16 N#C\C=C\c1ccc(Cl)o1 Amb25835544 [1,1,0,0,0,0|1,0,1]=4 1172 B10R1.16 O=C1C=C(CO1)\C=C/C=O Amb18643212 [1,1,0,0,0,0|2,0,0]=4 1173 B10R1.16 O=C1C=C\C(=C\C=C\Cl)\O1 Amb24649603 [1,1,0,0,0,0|1,0,0]=3 1174 B10R1.16 O=C1CC(=CO1)\C=C\C=O Amb18643211 [1,1,0,0,0,0|2,0,0]=4 1175 B10R1.16 O=C1CCC(=C1)\C=C/C=O Amb18643063 [1,1,0,0,0,0|1,0,1]=4 1176 B10R1.16 O=C1CCC(=C1)\C=C\C=O Amb25218107 [1,1,0,0,0,0|1,0,1]=4 1177 B10R1.16 O=CC#Cc1ccc(Br)o1 Amb25683444 [1,1,0,0,0,0|0,0,2]=4 1178 B10R1.16 O=CCCc1ccc(Br)o1 Amb24690247 [1,1,0,0,0,0|0,0,2]=4 1179 B10R1.16 O=CNCc1ccc(Br)o1 Amb25768269 [1,1,0,0,0,0|1,0,1]=4 1180 B10R1.16 O=C\C=C\c1cc(Br)c[s]1 Amb25244411 [1,1,0,0,0,0|0,1,0]=3 1181 B10R1.16 O=C\C=C\c1ccc(Br)o1 Amb18130678 [1,1,0,0,0,0|0,0,0]=2 1182 B10R1.16 O=C\C=C\c1ccc(Cl)[s]1 Amb24683408 [1,1,0,0,0,0|0,1,0]=3 1183 B10R1.16 O=C\C=C\c1ccc(Cl)o1 Amb18644875 [1,1,0,0,0,0|0,0,0]=2 1184 B10R1.21 BrCC\C=C\c1ccco1 Amb24572899 [1,1,0,0,0,0|0,0,1]=3 1185 B10R1.21 BrCC\C=C\c1cccs1 Amb17141007 [1,1,0,0,0,0|0,1,1]=4 1186 B10R1.21 CCC=CCc1ccco1 Amb24060828 [1,1,0,0,0,0|0,0,1]=3 1187 B10R1.21 CCC\C=C\c1ccc[nH]1 Amb24712583 [1,1,0,0,0,0|1,0,1]=4 1188 B10R1.21 CC\C=C\Cc1ccco1 Amb24558353 [1,1,0,0,0,0|0,0,1]=3 1189 B10R1.21 CNC\C=C\c1ccc[s]1 Amb23555589 [1,1,0,0,0,0|0,1,1]=4 1190 B10R1.21 CNC\C=C\c1ccco1 Amb24647351 [1,1,0,0,0,0|0,0,1]=3 1191 B10R1.21 C\C=C/C#Cc1ccco1 Amb25713093 [1,1,0,0,0,0|0,0,1]=3 1192 B10R1.21 ClCC\C=C\c1ccco1 Amb24641337 [1,1,0,0,0,0|0,0,1]=3 1193 B10R1.21 ClCC\C=C\c1cccs1 Amb17232925 [1,1,0,0,0,0|0,1,1]=4 1194 B10R1.21 N#CC\C=C\c1ccco1 Amb24360130 [1,1,0,0,0,0|0,0,2]=4 1195 B10R1.21 NCC\C=C\c1ccc[nH]1 Amb25085922 [1,1,0,0,0,0|1,0,1]=4 1196 B10R1.21 NCC\C=C\c1cccs1 Amb17138447 [1,1,0,0,0,0|0,1,1]=4 1197 B10R1.21 NCC\N=C\c1ccco1 Amb24658348 [1,1,0,0,0,0|1,0,1]=4 1198 B10R1.21 O=CCOCc1ccco1 Amb24387199 [1,1,0,0,0,0|0,0,2]=4 1199 B10R1.21 O=CCSCc1ccco1 Amb18799684 [1,1,0,0,0,0|0,0,2]=4 1200 B10R1.21 O=CC\C=C\c1ccc[s]1 Amb24416721 [1,1,0,0,0,0|0,1,0]=3 1201 B10R1.21 O=CN\C=C\c1ccco1 Amb24502429 [1,1,0,0,0,0|0,0,0]=2 1202 B10R1.21 O=CN\N=C\c1ccc[nH]1 Amb22366059 [1,1,0,0,0,0|2,0,0]=4 1203 B10R1.21 O=CN\N=C\c1cccs1 Amb2376556 [1,1,0,0,0,0|1,1,0]=4 1204 B10R1.21 O=C\C=C/Nc1[n]cc[s]1 Amb25733498 [1,1,0,0,0,0|1,1,0]=4 1205 B10R1.21 O=C\C=C\Cc1ccco1 Amb18643062 [1,1,0,0,0,0|0,0,0]=2 1206 B10R1.21 O=C\C=C\Nc1[n]cc[s]1 Amb18644632 [1,1,0,0,0,0|1,1,0]=4 1207 B10R1.21 OCC\C=C\c1ccco1 Amb25060312 [1,1,0,0,0,0|0,0,1]=3 1208 B10R1.21 OCC\N=C\c1ccco1 Amb17593526 [1,1,0,0,0,0|1,0,1]=4 1209 B10R1.21 OC\C=C\Cc1ccco1 Amb25261764 [1,1,0,0,0,0|0,0,1]=3 1210 B10R1.27 CC(=Cc1c[s]c[n]1)C=O Amb25051972 [1,1,0,0,0,0|2,0,0]=4 1211 B10R1.27 CC(Cc1ccco1)C=O Amb18643240 [1,1,0,0,0,0|0,0,2]=4 1212 B10R1.27 CCC(=O)Cc1ccco1 Amb1102322 [1,1,0,0,0,0|0,0,2]=4 1213 B10R1.27 CCC(=O)Nc1ccco1 Amb17689209 [1,1,0,0,0,0|1,0,1]=4 1214 B10R1.27 CN(Cc1ccco1)C=O Amb24619344 [1,1,0,0,0,0|1,0,1]=4 1215 B10R1.27 CNC(=O)Nc1ccco1 Amb25823033 [1,1,0,0,0,0|2,0,0]=4 1216 B10R1.27 COC(=O)Cc1ccco1 Amb23455987 [1,1,0,0,0,0|1,0,1]=4 1217 B10R1.27 COC(=O)\C=C/1\CC=CO1 Amb24401463 [1,1,0,0,0,0|1,0,1]=4 1218 B10R1.27 C\C(=C/c1cc[s]c1)\C=O Amb18644530 [1,1,0,0,0,0|2,0,0]=4 1219 B10R1.27 C\C(=C/c1ccc[nH]1)\C=O Amb18642995 [1,1,0,0,0,0|1,0,0]=3 1220 B10R1.27 C\C(=C/c1ccco1)\C#N Amb18642923 [1,1,0,0,0,0|1,0,1]=4 1221 B10R1.27 C\C(=C/c1ccco1)\C=C Amb24476924 [1,1,0,0,0,0|0,0,1]=3 1222 B10R1.27 C\C(=C\c1ccc[nH]1)\C=O Amb25785603 [1,1,0,0,0,0|1,0,0]=3 1223 B10R1.27 C\C(=C\c1ccc[s]1)\C=O Amb24433434 [1,1,0,0,0,0|0,1,0]=3 1224 B10R1.27 C\C(\CBr)=C\c1ccco1 Amb24470191 [1,1,0,0,0,0|1,0,1]=4 1225 B10R1.27 C\C(\CCl)=C\c1ccco1 Amb25240900 [1,1,0,0,0,0|1,0,1]=4 1226 B10R1.27 O=C(C=O)Nc1ccc[s]1 Amb25137097 [1,1,0,0,0,0|1,1,0]=4 1227 B10R1.27 O=C\C(=C\c1cccs1)\C Amb17334333 [1,1,0,0,0,0|0,1,0]=3 1228 B10R1.27 O=C\C(\Cl)=C\c1ccc[s]1 Amb25743382 [1,1,0,0,0,0|0,1,0]=3 1229 B10R1.29 Brc1ccoc1\C=C\CBr Amb24754451 [1,1,0,0,0,0|1,0,1]=4 1230 B10R1.29 C[n]1[n]ccc1\C=C\C=O Amb25849134 [1,1,0,0,0,0|2,0,0]=4 1231 B10R1.29 C[n]1cc[n]c1\C=C\C=O Amb18643073 [1,1,0,0,0,0|2,0,0]=4 1232 B10R1.29 C[n]1cccc1\C=C\C=O Amb18124458 [1,1,0,0,0,0|1,0,0]=3 1233 B10R1.29 Cc1cc[s]c1\C=C\C=O Amb24383858 [1,1,0,0,0,0|0,1,0]=3 1234 B10R1.29 Cc1ccoc1CNC=O Amb24371375 [1,1,0,0,0,0|1,0,1]=4 1235 B10R1.29 Cc1ccoc1\C=C\C#N Amb18642924 [1,1,0,0,0,0|1,0,1]=4 1236 B10R1.29 Cc1ccoc1\C=C\C=O Amb25147762 [1,1,0,0,0,0|0,0,0]=2 1237 B10R1.29 Cc1ccoc1\C=C\CCl Amb25729322 [1,1,0,0,0,0|1,0,1]=4 1238 B10R1.29 Cc1ccoc1\C=C\CN Amb24524389 [1,1,0,0,0,0|1,0,1]=4 1239 B10R1.29 Cc1ccoc1\C=C\CO Amb24524388 [1,1,0,0,0,0|0,0,2]=4 1240 B10R1.29 Cc1ccoc1\C=N\OC Amb24353766 [1,1,0,0,0,0|2,0,0]=4 1241 B10R1.29 Cc1occc1\C=C\C=O Amb24746969 [1,1,0,0,0,0|2,0,0]=4 1242 B10R1.29 NC\C=C\c1occc1Br Amb24504818 [1,1,0,0,0,0|1,0,1]=4 1243 B10R1.29 O=C\C=C\c1[s]ccc1Br Amb25342358 [1,1,0,0,0,0|0,1,0]=3 1244 B10R1.29 O=C\C=C\c1cc[s]c1Cl Amb18127000 [1,1,0,0,0,0|2,0,0]=4 1245 B10R1.23 C=C(C(O)=O)c1ccc[nH]1 Amb24502435 [0,1,0,0,1,0|2,0,0]=4 1246 B10R1.23 CC(=C)C(=O)c1ccc[nH]1 Amb24669459 [0,1,0,0,1,0|2,0,0]=4 1247 B10R1.23 CC(=C)C(=O)c1ccc[s]1 Amb18065371 [0,1,0,0,1,0|1,1,0]=4 1248 B10R1.23 CC(=C)C(=O)c1ccco1 Amb25114604 [0,1,0,0,1,0|1,0,0]=3 1249 B10R1.23 CC(=C)C(O)c1ccco1 Amb24459650 [0,1,0,0,1,0|1,0,1]=4 1250 B10R1.23 CC(=O)C(=O)c1c[nH]cc1 Amb18561513 [0,1,0,0,1,0|2,0,0]=4 1251 B10R1.23 CC(=O)C(=O)c1cccs1 Amb17399955 [0,1,0,0,1,0|0,1,0]=3 1252 B10R1.23 CC(=O)C(N)c1ccc[s]1 Amb25836886 [0,1,0,0,1,0|0,1,1]=4 1253 B10R1.23 CC(=O)C(O)c1ccc[nH]1 Amb24465067 [0,1,0,0,1,0|1,0,1]=4 1254 B10R1.23 CC(=O)C(O)c1ccc[s]1 Amb25146757 [0,1,0,0,1,0|0,1,1]=4 1255 B10R1.23 CC(=O)C(c1cccs1)Cl Amb17477839 [0,1,0,0,1,0|0,1,1]=4 1256 B10R1.23 CC(=O)[C@H](O)c1ccc[s]1 Amb25146548 [0,1,0,0,1,0|0,1,1]=4 1257 B10R1.23 CC(Br)C(=O)c1ccco1 Amb25270634 [0,1,0,0,1,0|1,0,1]=4 1258 B10R1.23 CC(C(=O)c1ccco1)C Amb17231905 [0,1,0,0,1,0|1,0,1]=4 1259 B10R1.23 CC(C(=O)c1ccco1)Cl Amb17138475 [0,1,0,0,1,0|1,0,1]=4 1260 B10R1.23 CC(C(=O)c1ccco1)N Amb16767094 [0,1,0,0,1,0|1,0,1]=4 1261 B10R1.23 CC(C(N)=O)c1ccco1 Amb25106547 [0,1,0,0,1,0|1,0,1]=4 1262 B10R1.23 CC(O)C(=O)c1ccco1 Amb24433295 [0,1,0,0,1,0|0,0,2]=4 1263 B10R1.23 CC(c1ccco1)=C(Cl)Cl Amb25208753 [0,1,0,0,1,0|2,0,0]=4 1264 B10R1.23 CC(c1ccco1)=C(F)F Amb25277639 [0,1,0,0,1,0|2,0,0]=4 1265 B10R1.23 CN(C(=O)c1ccco1)O Amb10572677 [0,1,0,0,1,0|1,0,1]=4 1266 B10R1.23 C[C@@H](O)C(=O)c1ccco1 Amb25053313 [0,1,0,0,1,0|0,0,2]=4 1267 B10R1.23 C[C@H](O)C(=O)c1ccco1 Amb25823826 [0,1,0,0,1,0|0,0,2]=4 1268 B10R1.23 NC(=O)C(=O)c1ccc[nH]1 Amb24505162 [0,1,0,0,1,0|2,0,0]=4 1269 B10R1.23 NC(=O)C(O)c1ccco1 Amb25084322 [0,1,0,0,1,0|1,0,1]=4 1270 B10R1.23 NC(=O)C(c1ccco1)N Amb17334171 [0,1,0,0,1,0|1,0,1]=4 1271 B10R1.23 N[C@@H](C(O)=O)c1ccco1 Amb25068121 [0,1,0,0,1,0|1,0,1]=4 1272 B10R1.23 O=C(c1ccc[s]1)C(=O)Cl Amb24608452 [0,1,0,0,1,0|1,1,0]=4 1273 B10R1.23 OC(=O)C(=C)c1cccs1 Amb17322162 [0,1,0,0,1,0|1,1,0]=4 1274 B10R1.23 OC(=O)C(=O)c1ccc[nH]1 Amb17593524 [0,1,0,0,1,0|2,0,0]=4 1275 B10R1.23 OC(=O)C(F)c1ccco1 Amb25825778 [0,1,0,0,1,0|1,0,1]=4 1276 B10R1.23 OC(=O)C(c1ccco1)C Amb17087431 [0,1,0,0,1,0|1,0,1]=4 1277 B10R1.23 OC(=O)[C@H](O)c1ccco1 Amb24445445 [0,1,0,0,1,0|1,0,1]=4 1278 B10R1.54 CC(=O)Cc1ccc(Cl)[s]1 Amb18183807 [0,1,0,0,1,0|0,1,1]=4 1279 B10R1.54 CC(=O)Cc1ccc(o1)C Amb17477800 [0,1,0,0,1,0|0,0,1]=3 1280 B10R1.54 CC(=O)NC1=CC(=O)NO1 Amb24421196 [0,1,0,0,1,0|2,0,0]=4 1281 B10R1.54 CC(=O)NC1C=CC(=O)O1 Amb20246300 [0,1,0,0,1,0|1,0,1]=4 1282 B10R1.54 CC(=O)Nc1cc(Br)c[s]1 Amb23401695 [0,1,0,0,1,0|1,1,0]=4 1283 B10R1.54 CC(=O)Nc1cc(I)c[s]1 Amb23400215 [0,1,0,0,1,0|1,1,0]=4 1284 B10R1.54 CC(=O)Nc1cc(N)[n]o1 Amb22284518 [0,1,0,0,1,0|2,0,0]=4 1285 B10R1.54 CC(=O)Nc1ccc(Br)[s]1 Amb21864811 [0,1,0,0,1,0|1,1,0]=4 1286 B10R1.54 CC(=O)Nc1ccc(Cl)[s]1 Amb23401707 [0,1,0,0,1,0|1,1,0]=4 1287 B10R1.54 CC(=O)Nc1onc(c1)C Amb2444932 [0,1,0,0,1,0|2,0,0]=4 1288 B10R1.54 CC(=O)OC1C=CC(=O)O1 Amb25367336 [0,1,0,0,1,0|1,0,1]=4 1289 B10R1.54 CC(=O)\C=C\1/C=CC(=O)O1 Amb25143351 [0,1,0,0,1,0|0,0,0]=2 1290 B10R1.54 CC(C)=Cc1cc(Br)co1 Amb25178541 [0,1,0,0,1,0|1,0,0]=3 1291 B10R1.54 CC(O)\C=C\1/C=CC(=O)O1 Amb24577275 [0,1,0,0,1,0|0,0,2]=4 1292 B10R1.54 Cc1c[n]c(CC(C)=O)o1 Amb24360435 [0,1,0,0,1,0|1,0,1]=4 1293 B10R1.54 Cc1c[s]c(CC(C)=O)c1 Amb25146717 [0,1,0,0,1,0|0,1,1]=4 1294 B10R1.54 Cc1c[s]c(c1)NC(C)=O Amb25835677 [0,1,0,0,1,0|1,1,0]=4 1295 B10R1.54 Cc1cc(CC(O)=O)oc1 Amb18831942 [0,1,0,0,1,0|1,0,1]=4 1296 B10R1.54 Cc1ccc(CC(C)=O)[s]1 Amb25146673 [0,1,0,0,1,0|0,1,1]=4 1297 B10R1.54 Cc1ccc(CC(O)=O)o1 Amb18960367 [0,1,0,0,1,0|1,0,1]=4 1298 B10R1.54 Cc1ccc(CS(C)=O)o1 Amb25270633 [0,1,0,0,1,0|1,0,1]=4 1299 B10R1.54 Cc1ccc(NC(C)=O)[s]1 Amb23447076 [0,1,0,0,1,0|1,1,0]=4 1300 B10R1.54 Cc1ccc(o1)OC(C)=O Amb24741995 [0,1,0,0,1,0|1,0,0]=3 1301 B10R1.54 Cc1coc(CC(C)=O)c1 Amb24694278 [0,1,0,0,1,0|0,0,1]=3 1302 B10R1.54 OC(=O)Cc1ccc(F)o1 Amb25842555 [0,1,0,0,1,0|1,0,1]=4 1303 B10R1.54 OC(=O)Cc1ccc(I)o1 Amb24622567 [0,1,0,0,1,0|1,0,1]=4 1304 B10R1.54 OC(=O)\C=C\1/C=CC(=O)O1 Amb18643475 [0,1,0,0,1,0|1,0,0]=3 1305 B10R1.54 [O-]\[N+](=C\c1ccc(o1)Br)\C Amb2441921 [0,1,0,0,1,0|1,0,1]=4 1306 B10R1.64 CC(=O)Cc1ccc[n]1C Amb25053401 [0,1,0,0,1,0|1,0,1]=4 1307 B10R1.64 CC(=O)Cc1sccc1C Amb17477801 [0,1,0,0,1,0|0,1,1]=4 1308 B10R1.64 CC(=O)Nc1[s]ccc1Cl Amb23400211 [0,1,0,0,1,0|1,1,0]=4 1309 B10R1.64 CC(=O)Nc1[s]ccc1F Amb24072189 [0,1,0,0,1,0|1,1,0]=4 1310 B10R1.64 CC(=O)Nc1[s]ccc1I Amb23400212 [0,1,0,0,1,0|1,1,0]=4 1311 B10R1.64 CC(=O)Nc1ccc[n]1C Amb25138365 [0,1,0,0,1,0|2,0,0]=4 1312 B10R1.64 CC(=O)Oc1sccc1N Amb10071362 [0,1,0,0,1,0|1,1,0]=4 1313 B10R1.64 CC(C)=Cc1[s]ccc1N Amb25732565 [0,1,0,0,1,0|1,1,0]=4 1314 B10R1.64 CC/1=CCC\C1=C\C(C)=O Amb24646692 [0,1,0,0,1,0|1,0,1]=4 1315 B10R1.64 Cc1cc[s]c1OC(C)=O Amb25377440 [0,1,0,0,1,0|1,1,0]=4 1316 B10R1.64 Nc1ccoc1CC(O)=O Amb18202764 [0,1,0,0,1,0|1,0,1]=4 1317 B10R1.64 OC(=O)Cc1occc1Br Amb18176122 [0,1,0,0,1,0|1,0,1]=4 1318 B10R1.64 OC(=O)Cc1occc1F Amb25133593 [0,1,0,0,1,0|1,0,1]=4 1319 B10R1.281 CS(=O)(=O)Cc1ccco1 Amb25377297 [0,1,0,0,1,0|1,0,1]=4 1320 B12R1.21 CC(=O)\C=C\c1ccc(I)cc1 Amb25736694 [0,1,0,0,0,1|1,0,0]=3 1321 B12R1.21 CC(=O)\C=C\c1ccc(N)cc1 Amb23247750 [0,1,0,0,0,1|1,0,0]=3 1322 B12R1.21 CC(=O)\N=C/c1ccc(Cl)cc1 Amb24073008 [0,1,0,0,0,1|2,0,0]=4 1323 B12R1.21 CC(=O)\N=C\c1ccc(Cl)cc1 Amb24404018 [0,1,0,0,0,1|2,0,0]=4 1324 B12R1.21 CC(=O)\N=C\c1ccc(O)cc1 Amb25059643 [0,1,0,0,0,1|2,0,0]=4 1325 B12R1.21 CS(=O)\C=C/c1ccc(Cl)cc1 Amb24309137 [0,1,0,0,0,1|2,0,0]=4 1326 B12R1.21 Cc1ccc(\C=C/C(C)=O)cc1 Amb24422503 [0,1,0,0,0,1|1,0,0]=3 1327 B12R1.21 Cc1ccc(\C=C\C(C)=O)[n]c1 Amb24527877 [0,1,0,0,0,1|1,0,0]=3 1328 B12R1.21 Cc1ccc(\C=C\C(N)=O)[n]c1 Amb24351916 [0,1,0,0,0,1|2,0,0]=4 1329 B12R1.21 Cc1ccc(\C=C\C(O)=O)[n]c1 Amb24711355 [0,1,0,0,0,1|2,0,0]=4 1330 B12R1.21 Cc1ccc(\C=C\C(O)=O)c[n]1 Amb18645813 [0,1,0,0,0,1|2,0,0]=4 1331 B12R1.21 Cc1ccc(cc1)\N=C\C(C)=O Amb25334923 [0,1,0,0,0,1|2,0,0]=4 1332 B12R1.21 ClC(=O)\C=C\c1ccc(cc1)Br Amb16230246 [0,1,0,0,0,1|2,0,0]=4 1333 B12R1.21 ClC(=O)\C=C\c1ccc(cc1)C Amb16230247 [0,1,0,0,0,1|2,0,0]=4 1334 B12R1.21 ClC(=O)\C=C\c1ccc(cc1)Cl Amb16186540 [0,1,0,0,0,1|2,0,0]=4 1335 B12R1.21 NC(=O)\C=C/c1ccc(cc1)Cl Amb17142990 [0,1,0,0,0,1|2,0,0]=4 1336 B12R1.21 NC(=O)\C=C\c1ccc(Br)c[n]1 Amb24678129 [0,1,0,0,0,1|2,0,0]=4 1337 B12R1.21 NC(=O)\C=C\c1ccc(I)cc1 Amb24758181 [0,1,0,0,0,1|2,0,0]=4 1338 B12R1.21 NC(=O)\C=C\c1ccc(cc1)C Amb1662617 [0,1,0,0,0,1|2,0,0]=4 1339 B12R1.21 Nc1ccc(\C=C\C(N)=O)cc1 Amb25365075 [0,1,0,0,0,1|2,0,0]=4 1340 B12R1.21 Nc1ccc(\C=C\C(O)=O)c[n]1 Amb19958812 [0,1,0,0,0,1|2,0,0]=4 1341 B12R1.21 OC(=O)C=Cc1ccc(I)cc1 Amb24079623 [0,1,0,0,0,1|2,0,0]=4 1342 B12R1.21 OC(=O)\C=C/c1ccc(F)cc1 Amb24712642 [0,1,0,0,0,1|2,0,0]=4 1343 B12R1.21 OC(=O)\C=C/c1ccc(cc1)Cl Amb2553273 [0,1,0,0,0,1|2,0,0]=4 1344 B12R1.21 OC(=O)\C=C\C=1C=CC(=O)NN1 Amb18212061 [0,1,0,0,0,1|2,0,0]=4 1345 B12R1.21 OC(=O)\C=C\C=1C=CC(=O)ON1 Amb24573497 [0,1,0,0,0,1|1,0,0]=3 1346 B12R1.21 OC(=O)\C=C\c1ccc(Br)[n]c1 Amb21864750 [0,1,0,0,0,1|2,0,0]=4 1347 B12R1.21 OC(=O)\C=C\c1ccc(Br)c[n]1 Amb24593980 [0,1,0,0,0,1|2,0,0]=4 1348 B12R1.21 OC(=O)\C=C\c1ccc(Cl)[n]c1 Amb22002669 [0,1,0,0,0,1|2,0,0]=4 1349 B12R1.21 OC(=O)\C=C\c1ccc(F)c[n]1 Amb21962831 [0,1,0,0,0,1|2,0,0]=4 1350 B12R1.21 OC(=O)\C=C\c1ccc(cc1)Br Amb1209603 [0,1,0,0,0,1|2,0,0]=4 1351 B12R1.21 OC(=O)\C=C\c1ccc(cc1)Cl Amb1210744 [0,1,0,0,0,1|2,0,0]=4 1352 B12R1.21 OC(=O)\C=C\c1ccc(cc1)I Amb2227429 [0,1,0,0,0,1|2,0,0]=4 1353 B12R1.21 OC(=O)\C=C\c1ccc(cc1)N Amb1196689 [0,1,0,0,0,1|2,0,0]=4 1354 B12R1.21 OC(=O)\C=C\c1ccc(cc1)O Amb1207922 [0,1,0,0,0,1|2,0,0]=4 1355 B12R1.21 OC(=O)\C=C\c1ccc(cc1)S Amb17616840 [0,1,0,0,0,1|2,0,0]=4 1356 B12R1.21 Oc1ccc(\C=C\C(O)=O)[n]c1 Amb25794684 [0,1,0,0,0,1|2,0,0]=4 1357 B12R1.21 Oc1ccc(c[n]1)\C=C\C(O)=O Amb25111280 [0,1,0,0,0,1|2,0,0]=4 1358 B12R1.21 [O-]C(=O)\C=C\c1ccc(cc1)C Amb10553862 [0,1,0,0,0,1|2,0,0]=4 1359 B12R1.21 [O-][n+]1ccc(\C=C\C(O)=O)cc1 Amb25076703 [0,1,0,0,0,1|2,0,0]=4 1360 B12R1.27 BrCC(=O)\C=C\c1ccccc1 Amb17596167 [0,1,0,0,0,1|1,0,0]=3 1361 B12R1.27 C#CC(=O)\C=C\c1ccccc1 Amb25706970 [0,1,0,0,0,1|1,0,1]=4 1362 B12R1.27 CC(C=Cc1ccccc1)=NO Amb24101081 [0,1,0,0,0,1|1,0,1]=4 1363 B12R1.27 CC(C=O)=C=Cc1ccccc1 Amb24452570 [0,1,0,0,0,1|1,0,1]=4 1364 B12R1.27 CC(C=O)\C=C\c1ccccc1 Amb24573489 [0,1,0,0,0,1|1,0,1]=4 1365 B12R1.27 CCC(=O)\C=C/c1ccccc1 Amb25271028 [0,1,0,0,0,1|1,0,0]=3 1366 B12R1.27 CCC(=O)\C=C\C1CCC=CO1 Amb24689480 [0,1,0,0,0,1|0,0,2]=4 1367 B12R1.27 CCC(=O)\C=C\c1ccc[n]c1 Amb25358914 [0,1,0,0,0,1|1,0,0]=3 1368 B12R1.27 CCC(=O)\C=C\c1cccc[n]1 Amb24487185 [0,1,0,0,0,1|1,0,0]=3 1369 B12R1.27 CCC(=O)\C=C\c1ccccc1 Amb10565332 [0,1,0,0,0,1|1,0,0]=3 1370 B12R1.27 CNC(=O)\C=C\c1c[n]cc[n]1 Amb24343779 [0,1,0,0,0,1|1,0,0]=3 1371 B12R1.27 CNC(=O)\C=C\c1cccc[n]1 Amb24056147 [0,1,0,0,0,1|1,0,0]=3 1372 B12R1.27 CNC(=O)\N=C\c1ccccc1 Amb24497304 [0,1,0,0,0,1|2,0,0]=4 1373 B12R1.27 COC(=O)/C=C/c1cccnc1 Amb17844385 [0,1,0,0,0,1|1,0,0]=3 1374 B12R1.27 COC(=O)C=Cc1c[n]c[n]c1 Amb24093840 [0,1,0,0,0,1|2,0,0]=4 1375 B12R1.27 COC(=O)C=Cc1cc[n]cc1 Amb20668041 [0,1,0,0,0,1|1,0,0]=3 1376 B12R1.27 COC(=O)C=Cc1cc[n]cc1 Amb24074160 [0,1,0,0,0,1|1,0,0]=3 1377 B12R1.27 COC(=O)\C=C\c1[n]ccc[n]1 Amb25337205 [0,1,0,0,0,1|1,0,0]=3 1378 B12R1.27 COC(=O)\C=C\c1c[n]cc[n]1 Amb22524637 [0,1,0,0,0,1|1,0,0]=3 1379 B12R1.27 COC(=O)\C=C\c1cccc[n]1 Amb25036096 [0,1,0,0,0,1|1,0,0]=3 1380 B12R1.27 COC(=O)\C=C\c1ccncc1 Amb10604946 [0,1,0,0,0,1|1,0,0]=3 1381 B12R1.27 C[C@@H](C=O)\C=C\c1ccccc1 Amb24441531 [0,1,0,0,0,1|1,0,1]=4 1382 B12R1.27 C\C(\C=O)=C/Cc1ccccc1 Amb18645371 [0,1,0,0,0,1|1,0,1]=4 1383 B12R1.27 C\C(\C=O)=C/Nc1ccccc1 Amb18645511 [0,1,0,0,0,1|2,0,0]=4 1384 B12R1.27 C\C(\C=O)=C\Cc1ccccc1 Amb24418390 [0,1,0,0,0,1|1,0,1]=4 1385 B12R1.27 C\C(\C=O)=C\Sc1ccccc1 Amb25277189 [0,1,0,0,0,1|2,0,0]=4 1386 B12R1.27 ClCC(=O)\C=C\c1ccccc1 Amb17594640 [0,1,0,0,0,1|1,0,0]=3 1387 B12R1.27 N#CC(=O)\C=C\c1ccccc1 Amb10069227 [0,1,0,0,0,1|1,0,1]=4 1388 B12R1.27 NCC(=O)\C=C\c1ccccc1 Amb18908593 [0,1,0,0,0,1|1,0,0]=3 1389 B12R1.27 NNC(=O)\C=C\c1ccccc1 Amb25838381 [0,1,0,0,0,1|2,0,0]=4 1390 B12R1.27 O=C(CCl)\C=C\c1cccc[n]1 Amb24692734 [0,1,0,0,0,1|1,0,0]=3 1391 B12R1.27 O=C(CF)\C=C\c1ccccc1 Amb24572849 [0,1,0,0,0,1|1,0,0]=3 1392 B12R1.27 O=C(\C=C\c1ccccc1)C=O Amb18126247 [0,1,0,0,0,1|1,0,1]=4 1393 B12R1.27 OCC(=O)\C=C\c1ccccc1 Amb25142729 [0,1,0,0,0,1|1,0,0]=3 1394 B12R1.27 ONC(=O)\C=C\c1c[n]cc[n]1 Amb24734705 [0,1,0,0,0,1|2,0,0]=4 1395 B12R1.27 ONC(=O)\C=C\c1cc[n]cc1 Amb22346729 [0,1,0,0,0,1|2,0,0]=4 1396 B12R1.27 ONC(=O)\C=C\c1cc[n]cc1 Amb24565929 [0,1,0,0,0,1|2,0,0]=4 1397 B12R1.43 Br\C(=C/c1ccccc1)\C(=O)C Amb17596166 [0,1,0,0,0,1|1,0,0]=3 1398 B12R1.43 CC(=Cc1c[n]c[n]c1)C(C)=O Amb25228861 [0,1,0,0,0,1|2,0,0]=4 1399 B12R1.43 CC(=Cc1ccccc1)C(=O)Cl Amb24061289 [0,1,0,0,0,1|2,0,0]=4 1400 B12R1.43 CC(=O)C(=C)Oc1ccccc1 Amb25714243 [0,1,0,0,0,1|2,0,0]=4 1401 B12R1.43 CC(=O)C(=O)Cc1c[n]ccc1 Amb24556780 [0,1,0,0,0,1|1,0,1]=4 1402 B12R1.43 CC(=O)C(=O)Cc1cc[n]cc1 Amb24555440 [0,1,0,0,0,1|1,0,1]=4 1403 B12R1.43 CC(=O)C(=O)Cc1ccccc1 Amb23603619 [0,1,0,0,0,1|1,0,1]=4 1404 B12R1.43 CC(=O)\C(\O)=C\c1ccccc1 Amb24456527 [0,1,0,0,0,1|1,0,0]=3 1405 B12R1.43 C\C(=C/C1CCC=CO1)\C(C)=O Amb25719088 [0,1,0,0,0,1|0,0,2]=4 1406 B12R1.43 C\C(=C/c1c[n]ccc1)\C(C)=O Amb25373091 [0,1,0,0,0,1|1,0,0]=3 1407 B12R1.43 C\C(=C/c1cc[n]cc1)\C(C)=O Amb24424922 [0,1,0,0,0,1|1,0,0]=3 1408 B12R1.43 C\C(=C/c1cccc[n]1)\C(C)=O Amb25066316 [0,1,0,0,0,1|1,0,0]=3 1409 B12R1.43 C\C(=C/c1ccccc1)\C(=O)C Amb17594004 [0,1,0,0,0,1|1,0,0]=3 1410 B12R1.43 C\C(=C/c1ccccc1)\C(=O)O Amb2099512 [0,1,0,0,0,1|2,0,0]=4 1411 B12R1.43 C\C(=C\c1cc[n]c[n]1)\C(O)=O Amb25383291 [0,1,0,0,0,1|2,0,0]=4 1412 B12R1.43 C\C(=C\c1ccccc1)\C(N)=O Amb24388896 [0,1,0,0,0,1|2,0,0]=4 1413 B12R1.43 C\C(=C\c1ccccc1)\C(O)=O Amb24603461 [0,1,0,0,0,1|2,0,0]=4 1414 B12R1.43 C\C(=N/c1ccccc1)\C(C)=O Amb24537849 [0,1,0,0,0,1|2,0,0]=4 1415 B12R1.43 NC(=Cc1ccccc1)C(O)=O Amb24081025 [0,1,0,0,0,1|2,0,0]=4 1416 B12R1.43 N\C(=C/c1cc[n]c[n]1)\C(O)=O Amb24390213 [0,1,0,0,0,1|2,0,0]=4 1417 B12R1.43 N\C(=C\c1cc[n]c[n]1)\C(O)=O Amb24518466 [0,1,0,0,0,1|2,0,0]=4 1418 B12R1.43 N\C(=C\c1ccc[n]c1)\C(O)=O Amb25254657 [0,1,0,0,0,1|2,0,0]=4 1419 B12R1.43 O=C(C(=O)C)Nc1ccccc1 Amb2383839 [0,1,0,0,0,1|2,0,0]=4 1420 B12R1.43 OC(=O)C(F)=Cc1ccccc1 Amb24093652 [0,1,0,0,0,1|2,0,0]=4 1421 B12R1.43 OC(=O)\C(=C\c1ccccn1)\S Amb1761004 [0,1,0,0,0,1|2,0,0]=4 1422 B12R1.43 OC(=O)\C(=C\c1cccnc1)\F Amb17614474 [0,1,0,0,0,1|2,0,0]=4 1423 B12R1.43 OC(=O)\C(=C\c1cccnc1)\S Amb1761005 [0,1,0,0,0,1|2,0,0]=4 1424 B12R1.43 OC(=O)\C(\Cl)=C/c1ccccc1 Amb18648695 [0,1,0,0,0,1|2,0,0]=4 1425 B12R1.43 OC(=O)\C(\Cl)=C\c1ccccc1 Amb19651416 [0,1,0,0,0,1|2,0,0]=4 1426 B12R1.43 OC(=O)\C(\F)=C\c1cc[n]cc1 Amb24377793 [0,1,0,0,0,1|2,0,0]=4 1427 B12R1.43 O\C(=C/c1ccccc1)\C(O)=O Amb18645966 [0,1,0,0,0,1|2,0,0]=4 1428 B12R1.43 S\C(=C/c1ccccc1)\C(=O)O Amb1250109 [0,1,0,0,0,1|2,0,0]=4 1429 B12R1.43 S\C(=C/c1ccncc1)\C(=O)O Amb1761003 [0,1,0,0,0,1|2,0,0]=4 1430 B12R1.43 S\C(=C\c1ccccc1)\C(=O)O Amb2550972 [0,1,0,0,0,1|2,0,0]=4 1431 B12R1.107 Br\C(=C/C(=O)O)\c1ccccc1 Amb10069265 [0,1,0,0,0,1|2,0,0]=4 1432 B12R1.107 CC(=O)CC(=O)c1c[n]cc[n]1 Amb25283404 [0,1,0,0,0,1|1,0,1]=4 1433 B12R1.107 CC(=O)NC(=O)c1c[n]ccc1 Amb25756189 [0,1,0,0,0,1|2,0,0]=4 1434 B12R1.107 CC(=O)NC(=O)c1cccc[n]1 Amb25040960 [0,1,0,0,0,1|2,0,0]=4 1435 B12R1.107 CC(=O)NC(=O)c1ccccc1 Amb24073560 [0,1,0,0,0,1|2,0,0]=4 1436 B12R1.107 CC(=O)NC(=O)c1cnccn1 Amb16231284 [0,1,0,0,0,1|2,0,0]=4 1437 B12R1.107 CC(=O)NC(=S)c1ccccc1 Amb24073591 [0,1,0,0,0,1|2,0,0]=4 1438 B12R1.107 CC(=O)OC(=C)c1ccccc1 Amb22730633 [0,1,0,0,0,1|2,0,0]=4 1439 B12R1.107 CC(=O)OC(=O)c1ccccc1 Amb17678790 [0,1,0,0,0,1|2,0,0]=4 1440 B12R1.107 CC(=O)\C=C(/N)\c1[n]ccc[n]1 Amb25773330 [0,1,0,0,0,1|1,0,0]=3 1441 B12R1.107 CC(=O)\C=C(/O)\c1cccc[n]1 Amb24309430 [0,1,0,0,0,1|1,0,0]=3 1442 B12R1.107 CC(=O)\C=C(/S)\c1ccccc1 Amb25730212 [0,1,0,0,0,1|1,0,0]=3 1443 B12R1.107 CC(=O)\C=C(\N)/c1[n]ccc[n]1 Amb25150917 [0,1,0,0,0,1|1,0,0]=3 1444 B12R1.107 CC(=O)\C=C(\N)/c1cc[n]cc1 Amb25059228 [0,1,0,0,0,1|1,0,0]=3 1445 B12R1.107 CC(=O)\C=C(\N)/c1ccccc1 Amb25309296 [0,1,0,0,0,1|1,0,0]=3 1446 B12R1.107 CC(=O)\C=C(\O)/c1c[n][n]cc1 Amb25179545 [0,1,0,0,0,1|2,0,0]=4 1447 B12R1.107 CC(=O)\N=C(\N)/c1ccccc1 Amb25150972 [0,1,0,0,0,1|2,0,0]=4 1448 B12R1.107 CC(C)=CC(=O)c1[n]ccc[n]1 Amb25148939 [0,1,0,0,0,1|2,0,0]=4 1449 B12R1.107 CC(C)=CC(=O)c1cc[n]cc1 Amb24573701 [0,1,0,0,0,1|2,0,0]=4 1450 B12R1.107 CC([O-])=CC(=O)c1ccccc1 Amb22446280 [0,1,0,0,0,1|1,0,1]=4 1451 B12R1.107 CC([O-])=CC(=O)c1ccccc1 Amb22446311 [0,1,0,0,0,1|1,0,1]=4 1452 B12R1.107 CC([O-])=CC(=O)c1ccccc1 Amb22474103 [0,1,0,0,0,1|1,0,1]=4 1453 B12R1.107 CC([O-])=CC(=O)c1ccccc1 Amb22474104 [0,1,0,0,0,1|1,0,1]=4 1454 B12R1.107 C\C(=C/C(=O)Cl)\c1ccccc1 Amb25195673 [0,1,0,0,0,1|2,0,0]=4 1455 B12R1.107 C\C(=C/C(=O)c1ccccn1)\N Amb10242646 [0,1,0,0,0,1|2,0,0]=4 1456 B12R1.107 C\C(=C/C(N)=O)\c1ccccc1 Amb24648875 [0,1,0,0,0,1|2,0,0]=4 1457 B12R1.107 C\C(=C\C(=O)Cl)\c1ccccc1 Amb25220154 [0,1,0,0,0,1|2,0,0]=4 1458 B12R1.107 C\C(=C\C(C)=O)\c1c[n]ccc1 Amb25308395 [0,1,0,0,0,1|1,0,0]=3 1459 B12R1.107 C\C(=C\C(C)=O)\c1cc[n]cc1 Amb25783222 [0,1,0,0,0,1|1,0,0]=3 1460 B12R1.107 C\C(=C\C(C)=O)\c1ccccc1 Amb24367599 [0,1,0,0,0,1|1,0,0]=3 1461 B12R1.107 C\C(=C\C(N)=O)\c1ccc[n]c1 Amb25296908 [0,1,0,0,0,1|2,0,0]=4 1462 B12R1.107 C\C(=C\C(O)=O)\c1cc[n]cc1 Amb20626499 [0,1,0,0,0,1|2,0,0]=4 1463 B12R1.107 C\C(=C\C(O)=O)\c1ccc[n]c1 Amb20626498 [0,1,0,0,0,1|2,0,0]=4 1464 B12R1.107 C\C(=C\C(O)=O)\c1cccc[n]1 Amb24393080 [0,1,0,0,0,1|2,0,0]=4 1465 B12R1.107 C\C(=C\C(O)=O)\c1ccccc1 Amb24271190 [0,1,0,0,0,1|2,0,0]=4 1466 B12R1.107 C\C(\F)=C/C(=O)c1ccccc1 Amb24497135 [0,1,0,0,0,1|2,0,0]=4 1467 B12R1.107 C\C(\F)=C\C(=O)c1ccccc1 Amb24631194 [0,1,0,0,0,1|2,0,0]=4 1468 B12R1.107 C\C(\N)=C\C(=O)c1cccc[n]1 Amb25319980 [0,1,0,0,0,1|2,0,0]=4 1469 B12R1.107 C\C(\N)=C\C(=S)c1ccccc1 Amb25264968 [0,1,0,0,0,1|2,0,0]=4 1470 B12R1.107 C\C(\[O-])=C/C(=O)c1ccccc1 Amb22043283 [0,1,0,0,0,1|1,0,1]=4 1471 B12R1.107 C\C(\[O-])=C/C(=O)c1ccccc1 Amb22729931 [0,1,0,0,0,1|1,0,1]=4 1472 B12R1.107 C\C(\[O-])=C/C(=O)c1ccccc1 Amb22729983 [0,1,0,0,0,1|1,0,1]=4 1473 B12R1.107 C\C(\[O-])=C/C(=O)c1ccccc1 Amb22733686 [0,1,0,0,0,1|1,0,1]=4 1474 B12R1.107 C\C(\[O-])=C\C(=O)c1ccccc1 Amb22729984 [0,1,0,0,0,1|1,0,1]=4 1475 B12R1.107 Cl\C(=C/C(=O)O)\c1ccccc1 Amb17594707 [0,1,0,0,0,1|2,0,0]=4 1476 B12R1.107 NC(=O)\C=C(\O)/c1cccc[n]1 Amb25150829 [0,1,0,0,0,1|2,0,0]=4 1477 B12R1.107 NC(=O)\C=C(\O)/c1ccccc1 Amb24580412 [0,1,0,0,0,1|2,0,0]=4 1478 B12R1.107 N\C(=C/C(O)=O)\c1ccccc1 Amb22054873 [0,1,0,0,0,1|2,0,0]=4 1479 B12R1.107 N\C(=C\C(O)=O)\c1cccc[n]1 Amb24426187 [0,1,0,0,0,1|2,0,0]=4 1480 B12R1.107 N\C(=C\C(O)=O)\c1ccccc1 Amb25274098 [0,1,0,0,0,1|2,0,0]=4 1481 B12R1.107 O=C(c1ccccc1)C=C(C)C Amb10874044 [0,1,0,0,0,1|2,0,0]=4 1482 B12R1.107 O=C(c1ccccc1)\C=C(/N)\C Amb2386640 [0,1,0,0,0,1|2,0,0]=4 1483 B12R1.107 OC(=O)\C=C(\F)/c1ccccc1 Amb24426178 [0,1,0,0,0,1|2,0,0]=4 1484 B12R1.107 [OH2+]\C(=C/C(=O)C)\c1ccccc1 Amb1395651 [0,1,0,0,0,1|1,0,0]=3 1485 B12R1.107 [OH2+]\C(=C/C(=O)C)\c1ccccc1 Amb2563772 [0,1,0,0,0,1|1,0,0]=3 1486 B12R1.125 CC(=O)C=Cc1ccccc1O Amb24065680 [0,1,0,0,0,1|1,0,0]=3 1487 B12R1.125 CC(=O)C\C=C/1\C=CCO[C@H]1C Amb25035223 [0,1,0,0,0,1|0,0,2]=4 1488 B12R1.125 CC(=O)\C=C\C1=CC=CNC1=O Amb25780424 [0,1,0,0,0,1|1,0,0]=3 1489 B12R1.125 CC(=O)\C=C\c1[n]cccc1O Amb25291018 [0,1,0,0,0,1|1,0,0]=3 1490 B12R1.125 CC(=O)\C=C\c1ccccc1Br Amb18068027 [0,1,0,0,0,1|1,0,0]=3 1491 B12R1.125 CC(=O)\C=C\c1ccccc1C Amb17477498 [0,1,0,0,0,1|1,0,0]=3 1492 B12R1.125 CC(=O)\C=C\c1ccccc1F Amb18563599 [0,1,0,0,0,1|1,0,0]=3 1493 B12R1.125 CC(=O)\C=C\c1ccccc1O Amb1266216 [0,1,0,0,0,1|1,0,0]=3 1494 B12R1.125 CC(=O)\N=C\c1ccccc1Cl Amb24072988 [0,1,0,0,0,1|2,0,0]=4 1495 B12R1.125 CC(C)=C\C=C/1\C=CC=CC1=O Amb25674179 [0,1,0,0,0,1|2,0,0]=4 1496 B12R1.125 CS(=O)\C=C\c1ccccc1N Amb18128933 [0,1,0,0,0,1|2,0,0]=4 1497 B12R1.125 Cc1[n]cccc1\C=C\C(O)=O Amb18522806 [0,1,0,0,0,1|2,0,0]=4 1498 B12R1.125 Cc1c[n]ccc1\C=C/C(N)=O Amb24761320 [0,1,0,0,0,1|2,0,0]=4 1499 B12R1.125 Cc1c[n]ccc1\C=C\C(C)=O Amb24551288 [0,1,0,0,0,1|1,0,0]=3 1500 B12R1.125 Cc1c[n]ccc1\C=C\C(N)=O Amb24595511 [0,1,0,0,0,1|2,0,0]=4 1501 B12R1.125 Cc1c[n]ccc1\C=C\C(O)=O Amb25148916 [0,1,0,0,0,1|2,0,0]=4 1502 B12R1.125 Cc1cc[n]cc1\C=C\C(C)=O Amb24392396 [0,1,0,0,0,1|1,0,0]=3 1503 B12R1.125 Cc1cc[n]cc1\C=C\C(N)=O Amb24422127 [0,1,0,0,0,1|2,0,0]=4 1504 B12R1.125 Cc1cc[n]cc1\C=C\C(O)=O Amb25210821 [0,1,0,0,0,1|2,0,0]=4 1505 B12R1.125 Cc1ccncc1C=CC(O)=O Amb17844101 [0,1,0,0,0,1|2,0,0]=4 1506 B12R1.125 ClC(=O)\C=C/c1ccccc1Cl Amb10070071 [0,1,0,0,0,1|2,0,0]=4 1507 B12R1.125 ClC(=O)\C=C\c1ccccc1Br Amb16230254 [0,1,0,0,0,1|2,0,0]=4 1508 B12R1.125 NC(=O)\C=C/c1cc[n]cc1Cl Amb25148590 [0,1,0,0,0,1|2,0,0]=4 1509 B12R1.125 NC(=O)\C=C/c1cc[n]cc1F Amb25135827 [0,1,0,0,0,1|2,0,0]=4 1510 B12R1.125 NC(=O)\C=C\c1cc[n]cc1Br Amb24574659 [0,1,0,0,0,1|2,0,0]=4 1511 B12R1.125 NC(=O)\C=C\c1cc[n]cc1Cl Amb24563483 [0,1,0,0,0,1|2,0,0]=4 1512 B12R1.125 NC(=O)\C=C\c1cc[n]cc1F Amb25322379 [0,1,0,0,0,1|2,0,0]=4 1513 B12R1.125 NC(=O)\C=C\c1ccc[n]c1Cl Amb24670214 [0,1,0,0,0,1|2,0,0]=4 1514 B12R1.125 NC(=O)\C=C\c1ccc[n]c1F Amb24558302 [0,1,0,0,0,1|2,0,0]=4 1515 B12R1.125 NC(=O)\C=C\c1ccccc1O Amb18645808 [0,1,0,0,0,1|2,0,0]=4 1516 B12R1.125 Nc1[n]cccc1\C=C\C(N)=O Amb24376277 [0,1,0,0,0,1|2,0,0]=4 1517 B12R1.125 Nc1cc[n]cc1\C=C/C(N)=O Amb25757422 [0,1,0,0,0,1|2,0,0]=4 1518 B12R1.125 Nc1cc[n]cc1\C=C\C(O)=O Amb22044028 [0,1,0,0,0,1|2,0,0]=4 1519 B12R1.125 Nc1ccc[n]c1\C=C\C(N)=O Amb25836763 [0,1,0,0,0,1|2,0,0]=4 1520 B12R1.125 Nc1ccc[n]c1\C=C\C(O)=O Amb25725011 [0,1,0,0,0,1|2,0,0]=4 1521 B12R1.125 Nc1ccccc1/C=C/C(O)=O Amb17777291 [0,1,0,0,0,1|2,0,0]=4 1522 B12R1.125 Nc1ccccc1\C=C/C(N)=O Amb25149881 [0,1,0,0,0,1|2,0,0]=4 1523 B12R1.125 O=C(Cl)C=Cc1ccccc1F Amb24090144 [0,1,0,0,0,1|2,0,0]=4 1524 B12R1.125 OC(=O)\C=C/c1ccccc1Cl Amb10070070 [0,1,0,0,0,1|2,0,0]=4 1525 B12R1.125 OC(=O)\C=C\C1=CC=CNC1=O Amb18263181 [0,1,0,0,0,1|2,0,0]=4 1526 B12R1.125 OC(=O)\C=C\c1cc[n]cc1Br Amb18659757 [0,1,0,0,0,1|2,0,0]=4 1527 B12R1.125 OC(=O)\C=C\c1cc[n]cc1Cl Amb23590832 [0,1,0,0,0,1|2,0,0]=4 1528 B12R1.125 OC(=O)\C=C\c1cccc[n+]1[O-] Amb10552947 [0,1,0,0,0,1|2,0,0]=4 1529 B12R1.125 OC(=O)\C=C\c1ccccc1I Amb22584152 [0,1,0,0,0,1|2,0,0]=4 1530 B12R1.125 OC(=O)\C=C\c1ccccc1O Amb1935207 [0,1,0,0,0,1|2,0,0]=4 1531 B12R1.125 OC(=O)\C=C\c1ccccc1S Amb18128711 [0,1,0,0,0,1|2,0,0]=4 1532 B12R1.125 Oc1cc[n]cc1\C=C\C(O)=O Amb18646198 [0,1,0,0,0,1|2,0,0]=4 1533 B12R1.226 CC(=O)C=Cc1cccc(O)c1 Amb24094413 [0,1,0,0,0,1|1,0,0]=3 1534 B12R1.226 CC(=O)C=Cc1cccc(c1)Cl Amb10808067 [0,1,0,0,0,1|1,0,0]=3 1535 B12R1.226 CC(=O)\C=C\C=1CCCC(=O)C1 Amb24512590 [0,1,0,0,0,1|1,0,1]=4 1536 B12R1.226 CC(=O)\C=C\[n+]1cccc(c1)O Amb10553687 [0,1,0,0,0,1|2,0,0]=4 1537 B12R1.226 CC(=O)\C=C\c1cccc(Br)[n]1 Amb25233145 [0,1,0,0,0,1|1,0,0]=3 1538 B12R1.226 CC(=O)\C=C\c1cccc(F)c1 Amb18563600 [0,1,0,0,0,1|1,0,0]=3 1539 B12R1.226 CC(=O)\C=C\c1cccc(N)c1 Amb23247751 [0,1,0,0,0,1|1,0,0]=3 1540 B12R1.226 CC(=O)\C=C\c1cccc(c1)Br Amb10601440 [0,1,0,0,0,1|1,0,0]=3 1541 B12R1.226 CC(=O)\C=C\c1cccc(c1)C Amb17477497 [0,1,0,0,0,1|1,0,0]=3 1542 B12R1.226 CC(=O)\C=C\c1cccc(c1)O Amb17615740 [0,1,0,0,0,1|1,0,0]=3 1543 B12R1.226 Cc1[n]c(\C=C\C(O)=O)cc[n]1 Amb23592256 [0,1,0,0,0,1|2,0,0]=4 1544 B12R1.226 Cc1[n]c(cc[n]1)\C=C\C(C)=O Amb25708271 [0,1,0,0,0,1|1,0,0]=3 1545 B12R1.226 Cc1c[n]cc(\C=C\C(O)=O)[n]1 Amb24539383 [0,1,0,0,0,1|2,0,0]=4 1546 B12R1.226 Cc1cc(C=CC(O)=O)c[n]c1 Amb20668532 [0,1,0,0,0,1|2,0,0]=4 1547 B12R1.226 Cc1cc(\C=C/C(N)=O)[n]cc1 Amb25144673 [0,1,0,0,0,1|2,0,0]=4 1548 B12R1.226 Cc1cc(\C=C/C(N)=O)cc[n]1 Amb25703055 [0,1,0,0,0,1|2,0,0]=4 1549 B12R1.226 Cc1cc(\C=C\C(O)=O)[n]cc1 Amb23592143 [0,1,0,0,0,1|2,0,0]=4 1550 B12R1.226 Cc1cc(\C=C\C(O)=O)c[n]c1 Amb22059615 [0,1,0,0,0,1|2,0,0]=4 1551 B12R1.226 Cc1cc(\C=C\C(O)=O)cc[n]1 Amb23535924 [0,1,0,0,0,1|2,0,0]=4 1552 B12R1.226 Cc1cc(cc[n]1)\C=C\C(C)=O Amb24676762 [0,1,0,0,0,1|1,0,0]=3 1553 B12R1.226 Cc1cccc(\C=C\C(N)=O)[n]1 Amb25189622 [0,1,0,0,0,1|2,0,0]=4 1554 B12R1.226 Cc1cccc(n1)\C=C\C(=O)O Amb10669513 [0,1,0,0,0,1|2,0,0]=4 1555 B12R1.226 ClC(=O)\C=C\c1cccc(c1)Br Amb17145216 [0,1,0,0,0,1|2,0,0]=4 1556 B12R1.226 ClC(=O)\C=C\c1cccc(c1)Cl Amb16230245 [0,1,0,0,0,1|2,0,0]=4 1557 B12R1.226 NC(=O)\C=C/c1cccc(Cl)c1 Amb24484173 [0,1,0,0,0,1|2,0,0]=4 1558 B12R1.226 NC(=O)\C=C/c1cccc(O)c1 Amb24744387 [0,1,0,0,0,1|2,0,0]=4 1559 B12R1.226 NC(=O)\C=C\c1cc[n]c(Br)c1 Amb24451667 [0,1,0,0,0,1|2,0,0]=4 1560 B12R1.226 NC(=O)\C=C\c1cccc(Br)[n]1 Amb24536280 [0,1,0,0,0,1|2,0,0]=4 1561 B12R1.226 NC(=O)\C=C\c1cccc(I)c1 Amb25338405 [0,1,0,0,0,1|2,0,0]=4 1562 B12R1.226 Nc1cc(\C=C\C(O)=O)cc[n]1 Amb25201755 [0,1,0,0,0,1|2,0,0]=4 1563 B12R1.226 Nc1cccc(\C=C\C(O)=O)[n]1 Amb24558794 [0,1,0,0,0,1|2,0,0]=4 1564 B12R1.226 Nc1cccc(c1)\C=C\C(N)=O Amb24626095 [0,1,0,0,0,1|2,0,0]=4 1565 B12R1.226 OC(=O)C=Cc1cc[n]c(Cl)c1 Amb20668239 [0,1,0,0,0,1|2,0,0]=4 1566 B12R1.226 OC(=O)\C=C/c1cccc(c1)F Amb16185904 [0,1,0,0,0,1|2,0,0]=4 1567 B12R1.226 OC(=O)\C=C\C1=CC=CC(=O)N1 Amb25705720 [0,1,0,0,0,1|2,0,0]=4 1568 B12R1.226 OC(=O)\C=C\C1=CC=CC(=O)O1 Amb24425498 [0,1,0,0,0,1|1,0,0]=3 1569 B12R1.226 OC(=O)\C=C\c1c[n]cc(Br)c1 Amb22491337 [0,1,0,0,0,1|2,0,0]=4 1570 B12R1.226 OC(=O)\C=C\c1c[n]cc(F)c1 Amb18283058 [0,1,0,0,0,1|2,0,0]=4 1571 B12R1.226 OC(=O)\C=C\c1cc[n]c(Br)c1 Amb19929893 [0,1,0,0,0,1|2,0,0]=4 1572 B12R1.226 OC(=O)\C=C\c1ccc[n+](c1)[O-] Amb10552948 [0,1,0,0,0,1|2,0,0]=4 1573 B12R1.226 OC(=O)\C=C\c1cccc(Br)[n]1 Amb25674136 [0,1,0,0,0,1|2,0,0]=4 1574 B12R1.226 OC(=O)\C=C\c1cccc(Cl)[n]1 Amb25060200 [0,1,0,0,0,1|2,0,0]=4 1575 B12R1.226 OC(=O)\C=C\c1cccc(F)[n]1 Amb24702245 [0,1,0,0,0,1|2,0,0]=4 1576 B12R1.226 OC(=O)\C=C\c1cccc(c1)Br Amb1207365 [0,1,0,0,0,1|2,0,0]=4 1577 B12R1.226 OC(=O)\C=C\c1cccc(c1)C Amb1212079 [0,1,0,0,0,1|2,0,0]=4 1578 B12R1.226 OC(=O)\C=C\c1cccc(c1)Cl Amb1209598 [0,1,0,0,0,1|2,0,0]=4 1579 B12R1.226 OC(=O)\C=C\c1cccc(c1)F Amb1210956 [0,1,0,0,0,1|2,0,0]=4 1580 B12R1.226 OC(=O)\C=C\c1cccc(c1)I Amb2236388 [0,1,0,0,0,1|2,0,0]=4 1581 B12R1.226 OC(=O)\C=C\c1cccc(c1)N Amb1197625 [0,1,0,0,0,1|2,0,0]=4 1582 B12R1.226 OC(=O)\C=C\c1cccc(c1)O Amb1137756 [0,1,0,0,0,1|2,0,0]=4 1583 B12R1.226 Oc1cc(cc[n]1)\C=C\C(O)=O Amb24682988 [0,1,0,0,0,1|2,0,0]=4 1584 B12R1.226 Oc1cccc(c1)\C=C/C(O)=O Amb24584528 [0,1,0,0,0,1|2,0,0]=4 1585 B12R1.891 CS(=O)(=O)C=Cc1ccccc1 Amb24081201 [0,1,0,0,0,1|2,0,0]=4 1586 B12R1.54 CC(=N\N=C(\C)/N)c1ccco1 Amb24760812 [0,1,0,0,0,1|2,0,0]=4 1587 B12R1.54 CC(=O)CCC(=O)c1ccco1 Amb2425618 [0,1,0,0,0,1|0,0,1]=3 1588 B12R1.54 CC(=O)CCC(c1ccco1)Cl Amb17401089 [0,1,0,0,0,1|0,0,2]=4 1589 B12R1.54 CC(=O)NCC(=O)c1ccco1 Amb24379100 [0,1,0,0,0,1|0,0,1]=3 1590 B12R1.54 CC(=O)NCC(=O)c1cccs1 Amb17335632 [0,1,0,0,0,1|0,1,1]=4 1591 B12R1.54 CC(=O)NCC(O)c1ccco1 Amb24356097 [0,1,0,0,0,1|0,0,2]=4 1592 B12R1.54 CC(=O)NC[C@@H](O)c1ccco1 Amb24346861 [0,1,0,0,0,1|0,0,2]=4 1593 B12R1.54 CC(=O)NNC(=O)c1c[n]co1 Amb24748900 [0,1,0,0,0,1|2,0,0]=4 1594 B12R1.54 CC(=O)NNC(=O)c1cc[n]o1 Amb24632397 [0,1,0,0,0,1|2,0,0]=4 1595 B12R1.54 CC(=O)\C=C\C(=O)c1ccco1 Amb24497191 [0,1,0,0,0,1|0,0,0]=2 1596 B12R1.54 CC(=O)\C=C\C(=O)c1cocc1 Amb25718311 [0,1,0,0,0,1|2,0,0]=4 1597 B12R1.54 CC(C)=CCC(O)c1ccco1 Amb25670472 [0,1,0,0,0,1|1,0,1]=4 1598 B12R1.54 CC(C)\C=C\C(=O)c1ccco1 Amb25371782 [0,1,0,0,0,1|1,0,1]=4 1599 B12R1.54 CN(C)\C=N\C(=O)c1ccco1 Amb22261523 [0,1,0,0,0,1|2,0,0]=4 1600 B12R1.54 CN(\C=C\C(=O)c1ccco1)C Amb2408465 [0,1,0,0,0,1|2,0,0]=4 1601 B12R1.54 C\C(=C\CC(O)=O)\c1ccc[nH]1 Amb24450014 [0,1,0,0,0,1|2,0,0]=4 1602 B12R1.54 C\C(=N\CC(O)=O)\c1ccco1 Amb24649927 [0,1,0,0,0,1|1,0,1]=4 1603 B12R1.54 C\C(=N\NC(C)=O)\c1ccco1 Amb24576417 [0,1,0,0,0,1|1,0,0]=3 1604 B12R1.54 C\C(=N\NC(N)=O)\c1ccco1 Amb24108130 [0,1,0,0,0,1|2,0,0]=4 1605 B12R1.54 NC(=O)CCC(=O)c1ccco1 Amb17334694 [0,1,0,0,0,1|1,0,1]=4 1606 B12R1.54 OC(=O)CNC(=O)c1ccco1 Amb1151312 [0,1,0,0,0,1|1,0,1]=4 1607 B12R1.54 OC(=O)\C=C\C(=O)c1ccco1 Amb18646418 [0,1,0,0,0,1|1,0,0]=3 1608 B12R1.54 OC(=O)\C=C\C(=O)c1cccs1 Amb17118515 [0,1,0,0,0,1|1,1,0]=4 1609 B12R1.105 CC(=O)N/N=C/c1ccc(Cl)s1 Amb17790674 [0,1,0,0,0,1|1,1,0]=4 1610 B12R1.105 CC(=O)NCCc1ccc(Br)o1 Amb25204953 [0,1,0,0,0,1|0,0,2]=4 1611 B12R1.105 CC(=O)NN=Cc1cc(Cl)c[s]1 Amb25091951 [0,1,0,0,0,1|1,1,0]=4 1612 B12R1.105 CC(=O)NN=Cc1cc(co1)Br Amb14636338 [0,1,0,0,0,1|1,0,0]=3 1613 B12R1.105 CC(=O)N\N=C\c1ccc(Cl)o1 Amb25706845 [0,1,0,0,0,1|1,0,0]=3 1614 B12R1.105 Cc1ccc(C\C=C\C(O)=O)o1 Amb25858107 [0,1,0,0,0,1|1,0,0]=3 1615 B12R1.105 Cc1ccc(\C=C\CC(O)=O)o1 Amb23441798 [0,1,0,0,0,1|1,0,0]=3 1616 B12R1.105 NC(=O)NN=Cc1cc(co1)Br Amb14636301 [0,1,0,0,0,1|2,0,0]=4 1617 B12R1.105 NC(=O)N\N=C\c1ccc(Cl)o1 Amb25152593 [0,1,0,0,0,1|2,0,0]=4 1618 B12R1.105 NC(=O)N\N=C\c1ccc(o1)Br Amb16843414 [0,1,0,0,0,1|2,0,0]=4 1619 B12R1.105 OC(=O)C\C=C\c1cc(Br)c[s]1 Amb18070716 [0,1,0,0,0,1|1,1,0]=4 1620 B12R1.105 OC(=O)C\C=C\c1ccc(Br)[s]1 Amb18070675 [0,1,0,0,0,1|1,1,0]=4 1621 B12R1.105 OC(=O)C\C=C\c1ccc(Br)o1 Amb23441811 [0,1,0,0,0,1|1,0,0]=3 1622 B12R1.105 OC(=O)C\C=C\c1ccc(Cl)[s]1 Amb18066363 [0,1,0,0,0,1|1,1,0]=4 1623 B12R1.130 CC(=O)N\N=C\c1[s]ccc1Cl Amb25822365 [0,1,0,0,0,1|1,1,0]=4 1624 B12R1.130 Cc1cc[s]c1\C=C\CC(O)=O Amb23441800 [0,1,0,0,0,1|1,1,0]=4 1625 B12R1.130 Cc1ccoc1\C=N\NC(N)=O Amb24684732 [0,1,0,0,0,1|2,0,0]=4 1626 B12R1.260 CC(=O)NC(=S)Nc1ccc[s]1 Amb25075587 [0,1,0,0,0,1|1,1,0]=4 1627 B12R1.260 CC(=O)OC(C)Nc1ccco1 Amb25350526 [0,1,0,0,0,1|1,0,1]=4 1628 B12R1.260 CC(C)=CC(=O)Cc1ccc[s]1 Amb25761711 [0,1,0,0,0,1|1,1,0]=4 1629 B12R1.260 CC(C)=CC(O)Cc1ccco1 Amb24421593 [0,1,0,0,0,1|1,0,1]=4 1630 B12R1.260 CC(Cc1ccco1)NC(=O)C Amb13798432 [0,1,0,0,0,1|0,0,2]=4 1631 B12R1.260 C\C(\CC(C)N)=C/c1ccco1 Amb24351166 [0,1,0,0,0,1|1,0,1]=4 1632 B12R1.260 C\C(\Cc1ccco1)=C\C(C)O Amb25734627 [0,1,0,0,0,1|0,0,2]=4 1633 B12R1.260 [O-]\[N+](\CC(O)=O)=C\c1ccco1 Amb25100828 [0,1,0,0,0,1|1,0,1]=4 1634 B12R1.264 CC(=C)C(=O)OCc1ccco1 Amb17934055 [0,1,0,0,0,1|1,0,1]=4 1635 B12R1.264 CC(=C)C(=O)\C=C\c1ccco1 Amb25252220 [0,1,0,0,0,1|1,0,0]=3 1636 B12R1.264 CC(=O)C(=O)NCc1ccco1 Amb17400230 [0,1,0,0,0,1|0,0,1]=3 1637 B12R1.264 CC(=O)C(=O)\C=C\c1ccco1 Amb25373372 [0,1,0,0,0,1|0,0,0]=2 1638 B12R1.264 CN(\N=C\c1ccco1)C(N)=O Amb24343838 [0,1,0,0,0,1|2,0,0]=4 1639 B12R1.264 C[C@H](\N=C/c1ccco1)C(O)=O Amb25046157 [0,1,0,0,0,1|1,0,1]=4 1640 B12R1.264 C[C@H](\N=C\c1ccco1)C(O)=O Amb24518469 [0,1,0,0,0,1|1,0,1]=4 1641 B12R1.264 NC(=O)C(=O)NCc1ccco1 Amb2229933 [0,1,0,0,0,1|1,0,1]=4 1642 B12R1.264 OC(=O)C(=O)\C=C\c1ccco1 Amb17470462 [0,1,0,0,0,1|1,0,0]=3 1643 B12R1.264 OC(=O)C(O)\C=C\c1ccc[s]1 Amb24635765 [0,1,0,0,0,1|1,1,0]=4 1644 B12R1.264 OC(=O)C(O)\C=C\c1ccco1 Amb25187505 [0,1,0,0,0,1|1,0,0]=3 1645 B12R1.264 OC(=O)[C@@H](O)\C=C\c1ccco1 Amb25724953 [0,1,0,0,0,1|1,0,0]=3 1646 B12R1.264 OC(=O)[C@H](O)\C=C\c1ccco1 Amb25061270 [0,1,0,0,0,1|1,0,0]=3 1647 B12R1.264 [O-]C(=O)C(=O)\C=C\c1ccco1 Amb24309011 [0,1,0,0,0,1|1,0,0]=3 1648 B12R1.477 CNC(=O)N\C=C\c1ccco1 Amb2421768 [0,1,0,0,0,1|0,0,0]=2 1649 B12R1.477 CNC(=O)N\N=C\c1ccc[s]1 Amb25787776 [0,1,0,0,0,1|1,1,0]=4 1650 B12R1.477 CNC(=O)N\N=C\c1ccco1 Amb24613323 [0,1,0,0,0,1|1,0,0]=3 1651 B12R1.477 CN\C(=N\N=C/c1ccco1)\S Amb2554949 [0,1,0,0,0,1|1,1,0]=4 1652 B12R1.477 COC(=O)N\C=C\c1ccc[s]1 Amb25313399 [0,1,0,0,0,1|0,1,0]=3 1653 B12R1.477 COC(=O)\C=C\N[n]1cccc1 Amb25353075 [0,1,0,0,0,1|2,0,0]=4 1654 B12R1.477 COC(=O)\C=C\Nc1cc[s]c1 Amb25179929 [0,1,0,0,0,1|2,0,0]=4 1655 B12R1.477 C\C(=C/C#Cc1ccco1)\C=O Amb25067014 [0,1,0,0,0,1|0,0,1]=3 1656 B12R1.477 C\C(\C=O)=C/C=C/c1ccoc1 Amb24598300 [0,1,0,0,0,1|2,0,0]=4 1657 B12R1.477 C\C(\C=O)=C\C=Cc1ccoc1 Amb25240088 [0,1,0,0,0,1|2,0,0]=4 1658 B12R1.477 C\C(\CO)=C\C=Cc1ccco1 Amb25847777 [0,1,0,0,0,1|0,0,1]=3 1659 B12R1.477 ClCC(=O)NCCc1ccco1 Amb17329057 [0,1,0,0,0,1|0,0,2]=4 1660 B12R1.15 BrCC(=O)NC(c1ccco1)C Amb17330601 [0,2,0,0,0,0|1,0,1]=4 1661 B12R1.15 CCC(=O)NC(=O)c1ccc[s]1 Amb24398723 [0,2,0,0,0,0|1,1,0]=4 1662 B12R1.15 CCC(=O)NC(c1ccco1)C Amb10677147 [0,2,0,0,0,0|1,0,1]=4 1663 B12R1.15 CCC(=O)N[C@@H](C)c1ccco1 Amb25374863 [0,2,0,0,0,0|1,0,1]=4 1664 B12R1.15 CCC(=O)N[C@H](C)c1ccco1 Amb25701234 [0,2,0,0,0,0|1,0,1]=4 1665 B12R1.15 CCC(=O)\C=C(/N)\c1ccco1 Amb25807522 [0,2,0,0,0,0|0,0,0]=2 1666 B12R1.15 CCC(=O)\C=C(\N)/c1ccco1 Amb24485639 [0,2,0,0,0,0|0,0,0]=2 1667 B12R1.15 CNC(=O)CC(c1ccco1)N Amb17232665 [0,2,0,0,0,0|0,0,2]=4 1668 B12R1.15 CNC(=O)NC(=O)c1ccco1 Amb25201628 [0,2,0,0,0,0|1,0,0]=3 1669 B12R1.15 CNC(=O)NC(C)c1ccco1 Amb25092656 [0,2,0,0,0,0|1,0,1]=4 1670 B12R1.15 COC(=O)NC(=O)c1ccc[s]1 Amb25334476 [0,2,0,0,0,0|1,1,0]=4 1671 B12R1.15 C[C@H](NC(=O)CN)c1ccco1 Amb25360505 [0,2,0,0,0,0|1,0,1]=4 1672 B12R1.15 C\C(=C\C(=O)OC)\c1[n]cc[s]1 Amb25837502 [0,2,0,0,0,0|1,1,0]=4 1673 B12R1.15 C\C(=C\C(=O)OC)\c1ccco1 Amb24649107 [0,2,0,0,0,0|0,0,0]=2 1674 B12R1.15 C\C(=C\C(=O)OC)\c1cocc1 Amb24491672 [0,2,0,0,0,0|2,0,0]=4 1675 B12R1.15 ClCC(=O)NC(=O)c1cccs1 Amb2308860 [0,2,0,0,0,0|1,1,0]=4 1676 B12R1.15 ClCC(=O)NC(c1ccco1)C Amb1158018 [0,2,0,0,0,0|1,0,1]=4 1677 B12R1.15 NCC(=O)NC(=O)c1ccc[s]1 Amb25838560 [0,2,0,0,0,0|1,1,0]=4 1678 B12R1.26 CCC(=O)NCc1ccc(Br)o1 Amb25072347 [0,2,0,0,0,0|1,0,1]=4 1679 B12R1.26 CNC(=O)\C=C\c1c[s]c(Br)c1 Amb25730946 [0,2,0,0,0,0|2,0,0]=4 1680 B12R1.26 CNC(=O)\C=C\c1ccc(Br)[s]1 Amb25189489 [0,2,0,0,0,0|0,1,0]=3 1681 B12R1.26 CNC(=O)\C=C\c1ccc(I)o1 Amb25847670 [0,2,0,0,0,0|0,0,0]=2 1682 B12R1.26 CNC(C)\C=C\c1ccc(Cl)o1 Amb25718668 [0,2,0,0,0,0|1,0,1]=4 1683 B12R1.26 COC(=O)C#Cc1ccc(Br)o1 Amb25335303 [0,2,0,0,0,0|0,0,2]=4 1684 B12R1.26 COC(=O)C=Cc1ccc(Br)[s]1 Amb24078597 [0,2,0,0,0,0|0,1,0]=3 1685 B12R1.26 COC(=O)NCc1ccc(Cl)o1 Amb24541472 [0,2,0,0,0,0|1,0,1]=4 1686 B12R1.26 COC(=O)\C=C/c1c[nH]c(F)[n]1 Amb24411569 [0,2,0,0,0,0|2,0,0]=4 1687 B12R1.26 COC(=O)\C=C\C1=CC(=O)NO1 Amb24712654 [0,2,0,0,0,0|1,0,0]=3 1688 B12R1.26 COC(=O)\C=C\C=1CCC(=O)C1 Amb24625806 [0,2,0,0,0,0|1,0,1]=4 1689 B12R1.26 COC(=O)\C=C\c1c[s]c(Cl)c1 Amb22458355 [0,2,0,0,0,0|2,0,0]=4 1690 B12R1.26 COC(=O)\C=C\c1ccc(Br)o1 Amb22342228 [0,2,0,0,0,0|0,0,0]=2 1691 B12R1.26 COC(=O)\C=C\c1ccc(Cl)[s]1 Amb25070249 [0,2,0,0,0,0|0,1,0]=3 1692 B12R1.26 COC(=O)\C=C\c1ccc(Cl)o1 Amb25723979 [0,2,0,0,0,0|0,0,0]=2 1693 B12R1.26 COC(=O)\C=C\c1ccc(I)o1 Amb25740448 [0,2,0,0,0,0|0,0,0]=2 1694 B12R1.26 C[n]1cc(\C=C\C(=O)OC)cc1 Amb24364856 [0,2,0,0,0,0|2,0,0]=4 1695 B12R1.26 Cc1[nH]cc(\C=C\C(=O)OC)[n]1 Amb25264956 [0,2,0,0,0,0|2,0,0]=4 1696 B12R1.26 Cc1[n]c(C=CC(=O)NC)c[s]1 Amb19260650 [0,2,0,0,0,0|2,0,0]=4 1697 B12R1.26 Cc1[n]c(\C=C\C(=O)OC)c[s]1 Amb25034820 [0,2,0,0,0,0|2,0,0]=4 1698 B12R1.26 Cc1[n]c(\C=C\C(=O)OC)o[n]1 Amb25308955 [0,2,0,0,0,0|2,0,0]=4 1699 B12R1.26 Cc1c[s]c(\C=C\C(=O)NC)[n]1 Amb24343790 [0,2,0,0,0,0|1,1,0]=4 1700 B12R1.26 Cc1cc(\C=C\C(=O)OC)[s]c1 Amb25034620 [0,2,0,0,0,0|0,1,0]=3 1701 B12R1.26 Cc1ccc(C#CC(=O)OC)o1 Amb25151107 [0,2,0,0,0,0|0,0,2]=4 1702 B12R1.26 Cc1ccc(CCC(=O)NC)o1 Amb25307250 [0,2,0,0,0,0|0,0,2]=4 1703 B12R1.26 Cc1ccc(CNC(=O)CBr)o1 Amb25265470 [0,2,0,0,0,0|1,0,1]=4 1704 B12R1.26 Cc1ccc(CNC(=O)CCl)o1 Amb19077082 [0,2,0,0,0,0|1,0,1]=4 1705 B12R1.26 Cc1ccc(CNC(=O)CN)o1 Amb18299204 [0,2,0,0,0,0|1,0,1]=4 1706 B12R1.26 Cc1ccc(CNC(=O)NC)o1 Amb24524739 [0,2,0,0,0,0|1,0,1]=4 1707 B12R1.26 Cc1ccc(\C=C\C(=O)NC)[s]1 Amb25725868 [0,2,0,0,0,0|0,1,0]=3 1708 B12R1.26 Cc1ccc(\C=C\C(=O)NO)o1 Amb24632877 [0,2,0,0,0,0|1,0,0]=3 1709 B12R1.26 Cc1ccc(\C=C\C(=O)OC)[s]1 Amb24487446 [0,2,0,0,0,0|0,1,0]=3 1710 B12R1.26 Cc1ccc(\C=C\C(=O)OC)o1 Amb22009458 [0,2,0,0,0,0|0,0,0]=2 1711 B12R1.26 Cc1ccc(\C=C\C(C)NC)o1 Amb25839491 [0,2,0,0,0,0|1,0,1]=4 1712 B12R1.26 Cc1coc(\C=C\C(=O)NC)[n]1 Amb25807125 [0,2,0,0,0,0|1,0,0]=3 1713 B12R1.26 Cc1coc(\C=C\C(=O)OC)[n]1 Amb25344699 [0,2,0,0,0,0|1,0,0]=3 1714 B12R1.26 NNC(=O)\C=C\c1ccc(I)o1 Amb24347663 [0,2,0,0,0,0|1,0,0]=3 1715 B12R1.26 NNC(=O)\C=C\c1ccc(I)o1 Amb25848201 [0,2,0,0,0,0|1,0,0]=3 1716 B12R1.26 O=C(CCl)NCc1ccc(Br)o1 Amb24502140 [0,2,0,0,0,0|1,0,1]=4 1717 B12R1.26 O=C(CCl)NCc1ccc(Cl)o1 Amb25358519 [0,2,0,0,0,0|1,0,1]=4 1718 B12R1.26 O=C(CCl)\C=C\c1ccc(Br)[s]1 Amb25152358 [0,2,0,0,0,0|0,1,0]=3 1719 B12R1.26 ONC(=O)\C=C\c1ccc(Br)[s]1 Amb25279672 [0,2,0,0,0,0|1,1,0]=4 1720 B12R1.26 ONC(=O)\C=C\c1ccc(Cl)[s]1 Amb25056487 [0,2,0,0,0,0|1,1,0]=4 1721 B12R1.51 BrCCC(=O)NCc1ccco1 Amb17323760 [0,2,0,0,0,0|1,0,1]=4 1722 B12R1.51 CC#CC(=O)\C=C\c1cc[s]c1 Amb24577828 [0,2,0,0,0,0|2,0,0]=4 1723 B12R1.51 CC#CC(=O)\C=C\c1ccco1 Amb24721789 [0,2,0,0,0,0|0,0,0]=2 1724 B12R1.51 CCCC(=O)OCc1ccco1 Amb22353279 [0,2,0,0,0,0|1,0,1]=4 1725 B12R1.51 CCNC(=O)/C=C/c1ccco1 Amb17869798 [0,2,0,0,0,0|0,0,0]=2 1726 B12R1.51 CCNC(=O)/C=C/c1cccs1 Amb17786755 [0,2,0,0,0,0|0,1,0]=3 1727 B12R1.51 CCNC(=O)NCc1ccco1 Amb24497204 [0,2,0,0,0,0|1,0,1]=4 1728 B12R1.51 CCNC(=O)\C=C\c1[n]cc[s]1 Amb25296030 [0,2,0,0,0,0|1,1,0]=4 1729 B12R1.51 CCNC(=O)\C=C\c1c[nH]cc1 Amb24397725 [0,2,0,0,0,0|2,0,0]=4 1730 B12R1.51 CCNC(=O)\C=C\c1c[n]c[s]1 Amb24343583 [0,2,0,0,0,0|1,1,0]=4 1731 B12R1.51 CCNC(=O)\C=C\c1c[s]c[n]1 Amb24473732 [0,2,0,0,0,0|2,0,0]=4 1732 B12R1.51 CCNC(=O)\C=C\c1cc[s]c1 Amb25345688 [0,2,0,0,0,0|2,0,0]=4 1733 B12R1.51 CCOC(=O)C=Cc1c[nH]c[nH+]1 Amb22452697 [0,2,0,0,0,0|2,0,0]=4 1734 B12R1.51 CCOC(=O)\C=C\c1cc[s]c1 Amb22388596 [0,2,0,0,0,0|2,0,0]=4 1735 B12R1.51 CCOC(=O)\C=C\c1ccc[s]1 Amb21858181 [0,2,0,0,0,0|0,1,0]=3 1736 B12R1.51 CCOC(=O)\C=C\c1ccco1 Amb1033025 [0,2,0,0,0,0|0,0,0]=2 1737 B12R1.51 CNCC(=O)NCc1ccco1 Amb13951291 [0,2,0,0,0,0|1,0,1]=4 1738 B12R1.51 CONC(=O)\C=C\c1[n]cc[s]1 Amb24353972 [0,2,0,0,0,0|1,1,0]=4 1739 B12R1.51 CONC(=O)\C=C\c1c[s]c[n]1 Amb24747808 [0,2,0,0,0,0|2,0,0]=4 1740 B12R1.51 CSCC(=O)NCc1ccco1 Amb15739621 [0,2,0,0,0,0|1,0,1]=4 1741 B12R1.51 C\C(=C\C=O)\C#Cc1ccco1 Amb24640415 [0,2,0,0,0,0|0,0,2]=4 1742 B12R1.51 C\C(\C=C\c1ccc[s]1)=C/C=O Amb25799617 [0,2,0,0,0,0|0,1,0]=3 1743 B12R1.51 C\C(\C=C\c1ccc[s]1)=C\C=O Amb24375392 [0,2,0,0,0,0|0,1,0]=3 1744 B12R1.51 C\C(\C=C\c1ccco1)=C\C=O Amb25767873 [0,2,0,0,0,0|0,0,0]=2 1745 B12R1.51 C\C(\C=Cc1ccc[s]1)=C\CO Amb25098608 [0,2,0,0,0,0|0,1,1]=4 1746 B12R1.51 C\C=C\C(=O)C=Cc1ccc[s]1 Amb24662366 [0,2,0,0,0,0|0,1,0]=3 1747 B12R1.51 C\C=C\C(=O)\C=C\c1ccc[s]1 Amb24496106 [0,2,0,0,0,0|0,1,0]=3 1748 B12R1.51 C\C=C\C(=O)\C=C\c1ccco1 Amb25717785 [0,2,0,0,0,0|0,0,0]=2 1749 B12R1.51 ClCCC(=O)NCc1ccco1 Amb1137792 [0,2,0,0,0,0|1,0,1]=4 1750 B12R1.51 N#CCC(=O)\C=C\c1ccco1 Amb24434538 [0,2,0,0,0,0|0,0,0]=2 1751 B12R1.51 NCCC(=O)NCc1ccco1 Amb1127809 [0,2,0,0,0,0|1,0,1]=4 1752 B12R1.51 NCCC(=O)NCc1ccco1 Amb21958909 [0,2,0,0,0,0|1,0,1]=4 1753 B12R1.51 N\C(\C=Cc1ccco1)=N\C#N Amb25179206 [0,2,0,0,0,0|1,0,1]=4 1754 B12R1.51 OCCC(=O)NCc1ccco1 Amb17334760 [0,2,0,0,0,0|1,0,1]=4 1755 B12R1.51 OCNC(=O)\C=C\c1ccco1 Amb25255369 [0,2,0,0,0,0|0,0,0]=2 1756 B12R1.51 [C-]#[N+]CC(=O)NCc1ccco1 Amb24574077 [0,2,0,0,0,0|1,0,1]=4 1757 B12R1.51 [N-]=[N+]=CC(=O)\C=C\c1ccco1 Amb20248602 [0,2,0,0,0,0|0,0,1]=3 1758 B12R1.108 CNC(=O)C(=O)Nc1[n]cco1 Amb25295906 [0,2,0,0,0,0|2,0,0]=4 1759 B12R1.108 COC(=O)C(=O)Cc1ccco1 Amb17138626 [0,2,0,0,0,0|0,0,1]=3 1760 B12R1.108 COC(=O)C(Cc1ccco1)O Amb17138659 [0,2,0,0,0,0|0,0,2]=4 1761 B12R1.108 COC(=O)N(Cc1ccco1)C Amb2389217 [0,2,0,0,0,0|1,0,1]=4 1762 B12R1.108 COC(=O)\C(\N)=C\c1ccc[s]1 Amb24571173 [0,2,0,0,0,0|0,1,0]=3 1763 B12R1.108 COC(=O)\C(\N)=C\c1ccco1 Amb25129514 [0,2,0,0,0,0|0,0,0]=2 1764 B12R1.108 COC(=O)\C(\O)=C\c1ccc[s]1 Amb18010728 [0,2,0,0,0,0|0,1,0]=3 1765 B12R1.108 C\C(=C/c1ccco1)\C(=N)NO Amb24655783 [0,2,0,0,0,0|1,0,1]=4 1766 B12R1.108 C\C(=C/c1ccco1)\C(C)NC Amb25302490 [0,2,0,0,0,0|1,0,1]=4 1767 B12R1.108 ClCC(=O)N(Cc1ccco1)C Amb1107558 [0,2,0,0,0,0|1,0,1]=4 1768 B12R1.108 OCC(=O)N(Cc1ccco1)C Amb1109719 [0,2,0,0,0,0|1,0,1]=4 1769 B12R1.353 COC(=O)C#Cc1occc1Br Amb24459521 [0,2,0,0,0,0|0,0,2]=4 1770 B12R1.353 COC(=O)\C=C/c1[nH]ccc1Cl Amb25173637 [0,2,0,0,0,0|1,0,0]=3 1771 B12R1.353 COC(=O)\C=C\c1[nH]ccc1Cl Amb24595434 [0,2,0,0,0,0|1,0,0]=3 1772 B12R1.353 COC(=O)\C=C\c1[n]cc[n]1O Amb24385306 [0,2,0,0,0,0|2,0,0]=4 1773 B12R1.353 COC(=O)\C=C\c1[s]ccc1N Amb18129258 [0,2,0,0,0,0|0,1,0]=3 1774 B12R1.353 COC(=O)\C=C\c1c[n]c[n]1C Amb25360230 [0,2,0,0,0,0|2,0,0]=4 1775 B12R1.353 COC(=O)\C=C\c1cc[s]c1Cl Amb25108756 [0,2,0,0,0,0|2,0,0]=4 1776 B12R1.353 COC(=O)\C=C\c1ccc[n]1C Amb24726149 [0,2,0,0,0,0|1,0,0]=3 1777 B12R1.353 COC(=O)\C=C\c1occc1Br Amb24497733 [0,2,0,0,0,0|0,0,0]=2 1778 B12R1.353 C[n]1cc[n]c1\C=C\C(=O)OC Amb23440780 [0,2,0,0,0,0|2,0,0]=4 1779 B12R1.353 C[n]1cccc1\C=C\C(=O)CC Amb25263047 [0,2,0,0,0,0|1,0,0]=3 1780 B12R1.353 C[n]1cccc1\C=C\C(=O)NO Amb25739387 [0,2,0,0,0,0|2,0,0]=4 1781 B12R1.353 Cc1[n]c[nH]c1\C=C\C(=O)OC Amb25111978 [0,2,0,0,0,0|2,0,0]=4 1782 B12R1.353 Cc1[n]c[s]c1\C=C\C(=O)NC Amb25160318 [0,2,0,0,0,0|1,1,0]=4 1783 B12R1.353 Cc1c[nH]cc1\C=C\C(=O)OC Amb25827709 [0,2,0,0,0,0|2,0,0]=4 1784 B12R1.353 Cc1c[n]oc1\C=C\C(=O)OC Amb25308954 [0,2,0,0,0,0|1,0,0]=3 1785 B12R1.353 Cc1cc[nH]c1\C=C\C(=O)OC Amb24610444 [0,2,0,0,0,0|1,0,0]=3 1786 B12R1.353 Cc1cc[s]c1C=CC(=O)OC Amb24066666 [0,2,0,0,0,0|0,1,0]=3 1787 B12R1.353 Cc1cc[s]c1\C=C\C(=O)NO Amb24613770 [0,2,0,0,0,0|1,1,0]=4 1788 B12R1.353 Cc1ccoc1CNC(=O)CN Amb25279035 [0,2,0,0,0,0|1,0,1]=4 1789 B12R1.353 Cc1ccoc1CNC(=O)CS Amb25733773 [0,2,0,0,0,0|1,0,1]=4 1790 B12R1.353 Cc1ccoc1C\C=C(/C)\CCl Amb24390885 [0,2,0,0,0,0|1,0,1]=4 1791 B12R1.353 Cc1ccoc1C\C=C(\C)/CCl Amb24651089 [0,2,0,0,0,0|1,0,1]=4 1792 B12R1.353 Cc1ccoc1C\C=C(\C)/CO Amb25158091 [0,2,0,0,0,0|0,0,2]=4 1793 B12R1.353 Cc1ccoc1\C=C\C(C)NC Amb24551156 [0,2,0,0,0,0|1,0,1]=4 1794 B12R1.353 O=C(CCl)\C=C\c1[s]ccc1Cl Amb24532628 [0,2,0,0,0,0|0,1,0]=3 1795 B12R1.104 CC(=C)C(=O)Cc1ccc(Br)o1 Amb24582367 [0,2,0,0,0,0|1,0,1]=4 1796 B12R1.104 CC(=Cc1c[s]c(C)c1)C(C)=O Amb25372865 [0,2,0,0,0,0|2,0,0]=4 1797 B12R1.104 CC(=Cc1cc(Br)co1)C(O)=O Amb24361545 [0,2,0,0,0,0|1,0,0]=3 1798 B12R1.104 CC(=Cc1ccc(Br)o1)[N+]([O-])=O Amb19373784 [0,2,0,0,0,0|2,0,0]=4 1799 B12R1.104 C\C(=C/c1[n]cc(C)[s]1)\C(C)=O Amb25227199 [0,2,0,0,0,0|1,1,0]=4 1800 B12R1.104 C\C(=C/c1cc(Br)c[nH]1)\C(O)=O Amb25096343 [0,2,0,0,0,0|2,0,0]=4 1801 B12R1.104 C\C(=C/c1ccc(Br)[s]1)\C(C)=O Amb25129648 [0,2,0,0,0,0|0,1,0]=3 1802 B12R1.104 C\C(=C/c1ccc(Br)o1)\C(C)=O Amb25718665 [0,2,0,0,0,0|0,0,0]=2 1803 B12R1.104 C\C(=C/c1ccc(Br)o1)\C(C)Cl Amb24606071 [0,2,0,0,0,0|1,0,1]=4 1804 B12R1.104 C\C(=C/c1ccc(Br)o1)\C(C)N Amb24376849 [0,2,0,0,0,0|1,0,1]=4 1805 B12R1.104 C\C(=C/c1ccc(Br)o1)\C(O)=O Amb24681994 [0,2,0,0,0,0|1,0,0]=3 1806 B12R1.104 C\C(=C/c1ccc(C)[s]1)\C(C)=O Amb24349188 [0,2,0,0,0,0|0,1,0]=3 1807 B12R1.104 C\C(=C/c1ccc(C)[s]1)\C(O)=O Amb25265239 [0,2,0,0,0,0|1,1,0]=4 1808 B12R1.104 C\C(=C/c1ccc(C)o1)\C(C)=O Amb24497511 [0,2,0,0,0,0|0,0,0]=2 1809 B12R1.104 C\C(=C/c1ccc(C)o1)\C(C)Cl Amb24675980 [0,2,0,0,0,0|1,0,1]=4 1810 B12R1.104 C\C(=C/c1ccc(Cl)[s]1)\C(C)=O Amb24662825 [0,2,0,0,0,0|0,1,0]=3 1811 B12R1.104 C\C(=C/c1ccc(Cl)[s]1)\C(O)=O Amb25351742 [0,2,0,0,0,0|1,1,0]=4 1812 B12R1.104 C\C(=C/c1ccc(Cl)o1)\C(C)=O Amb25273456 [0,2,0,0,0,0|0,0,0]=2 1813 B12R1.104 C\C(=C/c1ccc(Cl)o1)\C(C)O Amb25068253 [0,2,0,0,0,0|0,0,2]=4 1814 B12R1.104 C\C(=C/c1ccc(Cl)o1)\C(O)=O Amb24369235 [0,2,0,0,0,0|1,0,0]=3 1815 B12R1.104 C\C(=C\c1ccc(Br)[s]1)\C(O)=O Amb24680594 [0,2,0,0,0,0|1,1,0]=4 1816 B12R1.104 C\C(=C\c1ccc(Br)o1)\[N+]([O-])=O Amb25058037 [0,2,0,0,0,0|2,0,0]=4 1817 B12R1.104 C\C(=C\c1ccc(C)o1)\C(O)=O Amb24368204 [0,2,0,0,0,0|1,0,0]=3 1818 B12R1.104 C\C(=C\c1ccc(Cl)[s]1)\C(O)=O Amb24359811 [0,2,0,0,0,0|1,1,0]=4 1819 B12R1.104 C\C(=C\c1ccc(Cl)o1)\[N+]([O-])=O Amb24392467 [0,2,0,0,0,0|2,0,0]=4 1820 B12R1.104 C\C(=C\c1ccc(I)o1)\C(O)=O Amb25338401 [0,2,0,0,0,0|1,0,0]=3 1821 B12R1.104 Cc1cc(\C=C(/S)\C(O)=O)o[n]1 Amb18649087 [0,2,0,0,0,0|2,0,0]=4 1822 B12R1.104 Cc1cc(\C=C(\S)/C(O)=O)o[n]1 Amb24519238 [0,2,0,0,0,0|2,0,0]=4 1823 B12R1.104 Cc1ccc(CC(C)C(C)=O)o1 Amb25773466 [0,2,0,0,0,0|0,0,2]=4 1824 B12R1.104 Cc1ccc(\C=C(\N)/C(O)=O)[s]1 Amb25119099 [0,2,0,0,0,0|1,1,0]=4 1825 B12R1.104 Cc1ccc(o1)CC(=O)C(=O)O Amb1134823 [0,2,0,0,0,0|1,0,1]=4 1826 B12R1.104 OC(=O)C(=O)Cc1ccc(o1)Br Amb1131460 [0,2,0,0,0,0|1,0,1]=4 1827 B12R1.104 OC(=O)C(F)=Cc1cc(Br)c[s]1 Amb25039177 [0,2,0,0,0,0|1,1,0]=4 1828 B12R1.104 OC(=O)C(F)=Cc1cc(Cl)c[s]1 Amb24393130 [0,2,0,0,0,0|1,1,0]=4 1829 B12R1.104 OC(=O)\C(\F)=C\c1ccc(Br)o1 Amb24462451 [0,2,0,0,0,0|1,0,0]=3 1830 B12R1.104 OC(=O)\C(\F)=C\c1ccc(Cl)[s]1 Amb24680595 [0,2,0,0,0,0|1,1,0]=4 1831 B12R1.104 [O-][N+](=O)C(Br)=Cc1ccc(Br)o1 Amb24104064 [0,2,0,0,0,0|2,0,0]=4 1832 B12R1.104 [O-][N+](=O)\C(\Br)=C\c1ccc(Br)o1 Amb20671632 [0,2,0,0,0,0|2,0,0]=4 1833 B12R1.120 C=C(C(N)c1ccco1)C(O)=O Amb25250707 [0,2,0,0,0,0|1,0,1]=4 1834 B12R1.120 C=C(C(O)c1ccco1)C(N)=O Amb25700798 [0,2,0,0,0,0|1,0,1]=4 1835 B12R1.120 C=C([C@@H](N)c1ccco1)C(O)=O Amb25240035 [0,2,0,0,0,0|1,0,1]=4 1836 B12R1.120 CC(=C)C(C)C(=O)c1ccco1 Amb24537582 [0,2,0,0,0,0|1,0,1]=4 1837 B12R1.120 CC(=O)C(=C)C(O)c1ccc[s]1 Amb25072391 [0,2,0,0,0,0|0,1,1]=4 1838 B12R1.120 CC(=O)C(=C)C(O)c1ccco1 Amb25282701 [0,2,0,0,0,0|0,0,1]=3 1839 B12R1.120 CC(=O)C(=C)[C@@H](O)c1ccco1 Amb24570403 [0,2,0,0,0,0|0,0,1]=3 1840 B12R1.120 CC(=O)C(C)C(=O)c1ccc[nH]1 Amb25801808 [0,2,0,0,0,0|1,0,1]=4 1841 B12R1.120 CC(=O)C(C)C(=O)c1ccc[s]1 Amb18791435 [0,2,0,0,0,0|0,1,1]=4 1842 B12R1.120 CC(=O)C(C)C(=O)c1ccco1 Amb18798521 [0,2,0,0,0,0|0,0,1]=3 1843 B12R1.120 CC(=O)C(C)C(O)c1ccco1 Amb25132598 [0,2,0,0,0,0|0,0,2]=4 1844 B12R1.120 CC(=O)C(C)[C@@H](O)c1ccco1 Amb24662439 [0,2,0,0,0,0|0,0,2]=4 1845 B12R1.120 CC(=O)[C@@H](C)[C@@H](O)c1ccco1 Amb24721715 [0,2,0,0,0,0|0,0,2]=4 1846 B12R1.120 CC(=O)[C@H](C)[C@@H](O)c1ccco1 Amb25128259 [0,2,0,0,0,0|0,0,2]=4 1847 B12R1.120 CC(C)C(=O)C(=O)c1ccco1 Amb25767733 [0,2,0,0,0,0|1,0,1]=4 1848 B12R1.120 CN(C)C(=O)C(=O)c1ccco1 Amb24378517 [0,2,0,0,0,0|2,0,0]=4 1849 B12R1.120 C\C(=C(\F)/C(O)=O)\c1ccc[s]1 Amb24442073 [0,2,0,0,0,0|1,1,0]=4 1850 B12R1.120 C\C(=C(\N)/c1ccco1)\C(C)=O Amb24570936 [0,2,0,0,0,0|0,0,0]=2 1851 B12R1.120 C\C(\C(O)=O)=C(\C)/c1ccc[s]1 Amb24551635 [0,2,0,0,0,0|1,1,0]=4 1852 B12R1.120 C\C(\C(O)=O)=C(\C)/c1ccco1 Amb25789321 [0,2,0,0,0,0|1,0,0]=3 1853 B12R1.145 CC(=Cc1c[n]c[n]1C)C(C)=O Amb25713341 [0,2,0,0,0,0|2,0,0]=4 1854 B12R1.145 CC(=Cc1cc[n][n]1C)C(C)=O Amb25794301 [0,2,0,0,0,0|2,0,0]=4 1855 B12R1.145 C\C(=C/c1[s]ccc1Br)\C(C)=O Amb24379186 [0,2,0,0,0,0|0,1,0]=3 1856 B12R1.145 C\C(=C/c1[s]ccc1C)\C(O)=O Amb25669423 [0,2,0,0,0,0|1,1,0]=4 1857 B12R1.145 C\C(=C/c1[s]ccc1Cl)\C(C)=O Amb24532209 [0,2,0,0,0,0|0,1,0]=3 1858 B12R1.145 C\C(=C/c1c[s]cc1Br)\C(C)=O Amb25036500 [0,2,0,0,0,0|2,0,0]=4 1859 B12R1.145 C\C(=C/c1cc[s]c1C)\C(C)=O Amb25222016 [0,2,0,0,0,0|2,0,0]=4 1860 B12R1.145 C\C(=C/c1ccc[n]1C)\C(C)=O Amb24707317 [0,2,0,0,0,0|1,0,0]=3 1861 B12R1.145 C\C(=C/c1ccoc1C)\C(C)=O Amb25375091 [0,2,0,0,0,0|2,0,0]=4 1862 B12R1.145 C\C(=C/c1occc1C)\C(C)Br Amb25778312 [0,2,0,0,0,0|1,0,1]=4 1863 B12R1.145 C\C(=C/c1occc1C)\C(C)O Amb25159716 [0,2,0,0,0,0|0,0,2]=4 1864 B12R1.145 C\C(=C\c1[s]ccc1Br)\C(O)=O Amb24366493 [0,2,0,0,0,0|1,1,0]=4 1865 B12R1.145 C\C(=C\c1ccc[n]1C)\C(O)=O Amb24368205 [0,2,0,0,0,0|2,0,0]=4 1866 B12R1.145 C\C(=C\c1occc1Br)\C(O)=O Amb24644688 [0,2,0,0,0,0|1,0,0]=3 1867 B12R1.145 C\C(=C\c1occc1Br)\[N+]([O-])=O Amb24643651 [0,2,0,0,0,0|2,0,0]=4 1868 B12R1.145 C\C(=C\c1occc1C)\[N+]([O-])=O Amb24369388 [0,2,0,0,0,0|2,0,0]=4 1869 B12R1.145 Cc1cc[s]c1\C=C(\F)/C(O)=O Amb24460637 [0,2,0,0,0,0|1,1,0]=4 1870 B12R1.145 Cc1ccoc1CC(=O)C(O)=O Amb25854016 [0,2,0,0,0,0|1,0,1]=4 1871 B12R1.145 Cc1ccoc1CN(C)C(C)=O Amb25205896 [0,2,0,0,0,0|1,0,1]=4 1872 B12R1.145 N\C(=C\c1[s]ccc1Br)\C(O)=O Amb24539786 [0,2,0,0,0,0|1,1,0]=4 1873 B12R1.145 N\C(=C\c1occc1Br)\C(O)=O Amb25293360 [0,2,0,0,0,0|1,0,0]=3 1874 B12R1.145 OC(=O)C(=O)Cc1occc1Br Amb25854549 [0,2,0,0,0,0|1,0,1]=4 1875 B12R1.145 OC(=O)\C(\F)=C\c1[s]ccc1Cl Amb24532434 [0,2,0,0,0,0|1,1,0]=4 1876 B12R1.298 CC(=C)\C(\C=O)=C\c1ccc[s]1 Amb24545616 [0,2,0,0,0,0|1,1,0]=4 1877 B12R1.298 CC(=O)\C(\Cc1ccco1)=N/O Amb24379033 [0,2,0,0,0,0|0,0,1]=3 1878 B12R1.298 CC(C)\C(\C=O)=C\c1ccco1 Amb24700650 [0,2,0,0,0,0|1,0,1]=4 1879 B12R1.298 CC(C)\C(\CCl)=C\c1ccco1 Amb25092314 [0,2,0,0,0,0|1,0,1]=4 1880 B12R1.298 CC(C)\C(\CN)=C\c1ccco1 Amb25667350 [0,2,0,0,0,0|1,0,1]=4 1881 B12R1.298 CC(O)\C(\C=O)=C/c1ccco1 Amb25667644 [0,2,0,0,0,0|0,0,2]=4 1882 B12R1.298 CC\C(=C\c1ccc[s]1)\C(O)=O Amb24710612 [0,2,0,0,0,0|1,1,0]=4 1883 B12R1.298 CC\C(=C\c1ccco1)\C(O)=O Amb25274409 [0,2,0,0,0,0|1,0,0]=3 1884 B12R1.298 CS\C(=C/c1ccco1)\C(O)=O Amb25827267 [0,2,0,0,0,0|1,0,0]=3 1885 B12R1.298 N#CC(=Cc1ccco1)C(=O)O Amb15695335 [0,2,0,0,0,0|1,0,0]=3 1886 B12R1.298 N#C\C(=C/c1ccc[nH]1)\C(O)=O Amb25104707 [0,2,0,0,0,0|2,0,0]=4 1887 B12R1.298 N#C\C(=C/c1ccco1)\C(=O)N Amb2387120 [0,2,0,0,0,0|1,0,0]=3 1888 B12R1.298 N#C\C(=C/c1ccco1)\C(=O)O Amb1152046 [0,2,0,0,0,0|1,0,0]=3 1889 B12R1.298 N#C\C(=C/c1ccco1)\C(=S)N Amb1154296 [0,2,0,0,0,0|1,1,0]=4 1890 B12R1.298 N#C\C(=C/c1ccco1)\C(=[Se])N Amb1155396 [0,2,0,0,0,0|1,1,0]=4 1891 B12R1.298 N#C\C(=C/c1ccco1)\[N+]([O-])=O Amb24485499 [0,2,0,0,0,0|2,0,0]=4 1892 B12R1.298 N#C\C(=C/c1cccs1)\C(=O)N Amb2411641 [0,2,0,0,0,0|1,1,0]=4 1893 B12R1.298 N#C\C(=C/c1cccs1)\C(=O)O Amb1126845 [0,2,0,0,0,0|1,1,0]=4 1894 B12R1.298 N#C\C(=C\c1ccco1)\C(=O)O Amb2370582 [0,2,0,0,0,0|1,0,0]=3 1895 B12R1.298 N#C\C(=C\c1cccs1)\C(=O)O Amb2553295 [0,2,0,0,0,0|1,1,0]=4 1896 B12R1.298 NC(=O)\C(=C\c1ccc[nH]1)\C#N Amb24644943 [0,2,0,0,0,0|2,0,0]=4 1897 B12R1.298 O=C\C(=C\c1ccco1)\C(C)C Amb17334605 [0,2,0,0,0,0|1,0,1]=4 1898 B12R1.298 [O-][N+](=O)\C(=C\c1ccco1)\C=O Amb24484126 [0,2,0,0,0,0|2,0,0]=4 1899 B12R1.59 CC(=O)C=Cc1ccc([s]1)SC Amb24101004 [0,2,0,0,0,0|0,1,0]=3 1900 B12R1.59 CC(=O)NCc1ccc(C=O)o1 Amb25034624 [0,2,0,0,0,0|1,0,1]=4 1901 B12R1.59 CC(=O)OCc1ccc(C#N)o1 Amb18646200 [0,2,0,0,0,0|1,0,1]=4 1902 B12R1.59 CC(=O)\C=C\c1c[n](CC)cc1 Amb25150036 [0,2,0,0,0,0|2,0,0]=4 1903 B12R1.59 CC(=O)\C=C\c1c[s]c(CC)[n]1 Amb25027430 [0,2,0,0,0,0|2,0,0]=4 1904 B12R1.59 CC(=O)\C=C\c1ccc(C=O)o1 Amb18645973 [0,2,0,0,0,0|0,0,0]=2 1905 B12R1.59 CC(=O)\C=C\c1ccc(CCl)o1 Amb25227453 [0,2,0,0,0,0|0,0,0]=2 1906 B12R1.59 CC(=O)\C=C\c1ccc(CO)o1 Amb24425393 [0,2,0,0,0,0|0,0,0]=2 1907 B12R1.59 CC(=O)\C=C\c1ccc(o1)OC Amb24614290 [0,2,0,0,0,0|0,0,0]=2 1908 B12R1.59 CC(C)=CCc1ccc(C=O)o1 Amb18646089 [0,2,0,0,0,0|1,0,1]=4 1909 B12R1.59 CC(C)=CCc1ccc(CO)o1 Amb25057757 [0,2,0,0,0,0|1,0,1]=4 1910 B12R1.59 CCc1ccc(\C=C/C(N)=O)[s]1 Amb25326367 [0,2,0,0,0,0|1,1,0]=4 1911 B12R1.59 CCc1ccc(\C=C\C(C)Cl)o1 Amb24577876 [0,2,0,0,0,0|1,0,1]=4 1912 B12R1.59 CCc1ccc(\C=C\C(C)N)o1 Amb25782206 [0,2,0,0,0,0|1,0,1]=4 1913 B12R1.59 CCc1ccc(\C=C\C(O)=O)o1 Amb18987834 [0,2,0,0,0,0|1,0,0]=3 1914 B12R1.59 CCc1ccc(s1)\C=C\C(=O)O Amb10811267 [0,2,0,0,0,0|1,1,0]=4 1915 B12R1.59 COc1cc(\C=C\C(O)=O)[s]c1 Amb24512205 [0,2,0,0,0,0|1,1,0]=4 1916 B12R1.59 COc1ccc(\C=C\C(O)=O)[s]1 Amb25667173 [0,2,0,0,0,0|1,1,0]=4 1917 B12R1.59 CSc1ccc(\C=C\C(O)=O)o1 Amb18648894 [0,2,0,0,0,0|1,0,0]=3 1918 B12R1.59 N#Cc1cc(\C=C\C(O)=O)[s]c1 Amb25211288 [0,2,0,0,0,0|1,1,0]=4 1919 B12R1.59 N#Cc1ccc(\C=C\C(O)=O)[s]1 Amb25310975 [0,2,0,0,0,0|1,1,0]=4 1920 B12R1.59 N#Cc1ccc(\C=C\C(O)=O)o1 Amb18645763 [0,2,0,0,0,0|1,0,0]=3 1921 B12R1.59 NC(=O)\C=C\c1ccc(CO)o1 Amb25340943 [0,2,0,0,0,0|1,0,0]=3 1922 B12R1.59 O=[13CH][13c]1[13cH][13cH][13c](o1)[13CH2]OC(=O)C Amb17607371 [0,2,0,0,0,0|1,0,1]=4 1923 B12R1.59 OC(=O)\C=C\c1ccc(C=O)[s]1 Amb24444858 [0,2,0,0,0,0|1,1,0]=4 1924 B12R1.59 OC(=O)\C=C\c1ccc(C=O)o1 Amb25053893 [0,2,0,0,0,0|1,0,0]=3 1925 B12R1.59 OC(=O)\C=C\c1ccc(CO)[s]1 Amb18981856 [0,2,0,0,0,0|1,1,0]=4 1926 B12R1.59 OCc1csc(c1)\C=C\C(=O)O Amb10607473 [0,2,0,0,0,0|1,1,0]=4 1927 B12R1.103 CC(=CC(O)=O)c1cc(Br)c[s]1 Amb25839506 [0,2,0,0,0,0|1,1,0]=4 1928 B12R1.103 CC(=O)CC(=O)c1cc(Br)c[s]1 Amb18072330 [0,2,0,0,0,0|0,1,1]=4 1929 B12R1.103 CC(=O)CC(=O)c1ccc(Br)o1 Amb25058736 [0,2,0,0,0,0|0,0,1]=3 1930 B12R1.103 CC(=O)CC(=O)c1ccc(C)[nH]1 Amb24356752 [0,2,0,0,0,0|1,0,1]=4 1931 B12R1.103 CC(=O)NC(=N)c1ccc(Cl)[s]1 Amb25285420 [0,2,0,0,0,0|1,1,0]=4 1932 B12R1.103 CC(C)=CC(=O)c1cc(Br)c[s]1 Amb25313976 [0,2,0,0,0,0|1,1,0]=4 1933 B12R1.103 CC(C)=CC(=O)c1cc(C)c[s]1 Amb25297945 [0,2,0,0,0,0|1,1,0]=4 1934 B12R1.103 CC(C)=CC(=O)c1ccc(Br)[s]1 Amb24641336 [0,2,0,0,0,0|1,1,0]=4 1935 B12R1.103 CC(C)=CC(=O)c1ccc(C)o1 Amb24646517 [0,2,0,0,0,0|1,0,0]=3 1936 B12R1.103 CC(C)=CC(=O)c1ccc(Cl)[s]1 Amb25282587 [0,2,0,0,0,0|1,1,0]=4 1937 B12R1.103 CC(C)=CC(=O)c1ccc(Cl)o1 Amb24672910 [0,2,0,0,0,0|1,0,0]=3 1938 B12R1.103 CC(C)=CC(N)c1ccc(Br)o1 Amb24435748 [0,2,0,0,0,0|1,0,1]=4 1939 B12R1.103 CC(C)=CC(O)c1ccc(Cl)o1 Amb24452869 [0,2,0,0,0,0|1,0,1]=4 1940 B12R1.103 C\C(=C/C(=O)O)\c1ccc(s1)Br Amb17196409 [0,2,0,0,0,0|1,1,0]=4 1941 B12R1.103 C\C(=C/C(C)=O)\c1coc(C)c1 Amb25706992 [0,2,0,0,0,0|2,0,0]=4 1942 B12R1.103 C\C(=C/C(O)=O)\c1cc(Br)c[s]1 Amb18072321 [0,2,0,0,0,0|1,1,0]=4 1943 B12R1.103 C\C(=C\C(C)=O)\c1c[s]c(C)c1 Amb24647365 [0,2,0,0,0,0|2,0,0]=4 1944 B12R1.103 C\C(=C\C(C)=O)\c1cc(Cl)[s]c1 Amb25820420 [0,2,0,0,0,0|2,0,0]=4 1945 B12R1.103 C\C(=C\C(C)=O)\c1ccc(Br)[s]1 Amb25727886 [0,2,0,0,0,0|0,1,0]=3 1946 B12R1.103 C\C(=C\C(C)=O)\c1ccc(Cl)[s]1 Amb25353944 [0,2,0,0,0,0|0,1,0]=3 1947 B12R1.103 Cc1c[n]c(o1)\C(\N)=C/C(C)=O Amb25111247 [0,2,0,0,0,0|1,0,0]=3 1948 B12R1.103 Cc1c[n]c(o1)\C(\N)=C\C(C)=O Amb25263588 [0,2,0,0,0,0|1,0,0]=3 1949 B12R1.103 Cc1cc([n][s]1)\C(\N)=C/C(C)=O Amb24355407 [0,2,0,0,0,0|2,0,0]=4 1950 B12R1.103 Cc1cc(o[n]1)\C(\N)=C/C(C)=O Amb25347737 [0,2,0,0,0,0|1,0,0]=3 1951 B12R1.103 Cc1cc(o[n]1)\C(\N)=C\C(C)=O Amb25373230 [0,2,0,0,0,0|1,0,0]=3 1952 B12R1.103 Cc1ccc([s]1)\C(\C)=C/C(O)=O Amb24572243 [0,2,0,0,0,0|1,1,0]=4 1953 B12R1.103 Cc1ccc(o1)C(=O)CC(C)=C Amb24449652 [0,2,0,0,0,0|1,0,1]=4 1954 B12R1.103 Cc1ccc(o1)C(=O)NC(N)=O Amb24487275 [0,2,0,0,0,0|2,0,0]=4 1955 B12R1.103 Cc1ccc(o1)C(C)CC(C)=O Amb25843709 [0,2,0,0,0,0|0,0,2]=4 1956 B12R1.103 Cc1ccc(o1)\C(\C)=C\C(O)=O Amb18949380 [0,2,0,0,0,0|1,0,0]=3 1957 B12R1.103 NC(=O)NC(=O)c1ccc(Br)o1 Amb25702962 [0,2,0,0,0,0|2,0,0]=4 1958 B12R1.103 NC(=O)NC(=O)c1ccc(Cl)o1 Amb25179960 [0,2,0,0,0,0|2,0,0]=4 1959 B12R1.103 NC(=O)NC(=O)c1ccc(N)o1 Amb25702364 [0,2,0,0,0,0|2,0,0]=4 1960 B12R1.103 OC(=O)\C=C(\Cl)/c1cc(Br)c[s]1 Amb24736874 [0,2,0,0,0,0|1,1,0]=4 1961 B12R1.103 OC(=O)\C=C(\Cl)/c1ccc(Cl)[s]1 Amb25793720 [0,2,0,0,0,0|1,1,0]=4 1962 B12R1.110 CC(=O)\C=C\c1cc(Br)c(Cl)[s]1 Amb24602785 [0,2,0,0,0,0|0,1,0]=3 1963 B12R1.110 CC(Br)\C=C\c1cc(Br)c(Br)o1 Amb25286014 [0,2,0,0,0,0|1,0,1]=4 1964 B12R1.110 CC(O)\C=C\c1cc(Br)c(Br)o1 Amb24614394 [0,2,0,0,0,0|0,0,2]=4 1965 B12R1.110 Cc1[s]c(\C=C\C(O)=O)cc1Br Amb23537773 [0,2,0,0,0,0|1,1,0]=4 1966 B12R1.110 Cc1cc(COC(C)=O)oc1C Amb25036189 [0,2,0,0,0,0|1,0,1]=4 1967 B12R1.110 Cc1oc(\C=C\C(N)=O)cc1C Amb24693325 [0,2,0,0,0,0|1,0,0]=3 1968 B12R1.110 Cc1oc(\C=C\C(O)=O)cc1Br Amb23537904 [0,2,0,0,0,0|1,0,0]=3 1969 B12R1.110 OC(=O)\C=C\c1cc(Br)c(Br)o1 Amb23537731 [0,2,0,0,0,0|1,0,0]=3 1970 B12R1.110 OC(=O)\C=C\c1cc(Br)c(Cl)o1 Amb23539532 [0,2,0,0,0,0|1,0,0]=3 1971 B12R1.110 OC(=O)\C=C\c1cc(Cl)c(Br)[s]1 Amb25123244 [0,2,0,0,0,0|1,1,0]=4 1972 B12R1.110 OC(=O)\C=C\c1cc(Cl)c(Cl)[s]1 Amb23454546 [0,2,0,0,0,0|1,1,0]=4 1973 B12R1.110 OC(=O)\C=C\c1cc(Cl)c(Cl)o1 Amb25105495 [0,2,0,0,0,0|1,0,0]=3 1974 B12R1.861 CC(=O)\C=C\c1[s]c(Cl)[n]c1Cl Amb25223633 [0,2,0,0,0,0|1,1,0]=4 1975 B12R1.861 Cc1[n]c(C)[s]c1\C=C\C(C)=O Amb25046935 [0,2,0,0,0,0|1,1,0]=4 1976 B12R1.861 Cc1cc(C)c(\C=C\C(N)=O)[nH]1 Amb24536272 [0,2,0,0,0,0|2,0,0]=4 1977 B12R1.861 Cc1cc(C)oc1COC(C)=O Amb25126051 [0,2,0,0,0,0|1,0,1]=4 1978 B12R1.861 Cc1cc(\C=C\C(C)=O)c(C)[nH]1 Amb22363632 [0,2,0,0,0,0|2,0,0]=4 1979 B12R1.870 CC(=O)OCc1occ(Cl)c1Cl Amb24497505 [0,2,0,0,0,0|1,0,1]=4 1980 B12R1.870 CC(=O)\C=C\c1[n]cc(Cl)[n]1C Amb24687079 [0,2,0,0,0,0|2,0,0]=4 1981 B12R1.870 Cc1c[nH]c(\C=C\C(C)=O)c1C Amb22363788 [0,2,0,0,0,0|1,0,0]=3 1982 B12R1.870 Cc1coc(COC(C)=O)c1C Amb25244720 [0,2,0,0,0,0|1,0,1]=4 1983 B12R1.870 OC(=O)\C=C\c1occ(Cl)c1Cl Amb24497192 [0,2,0,0,0,0|1,0,0]=3 1984 B12R1.144 CC(=O)CC(=O)c1[s]ccc1C Amb25751460 [0,2,0,0,0,0|0,1,1]=4 1985 B12R1.144 CC(=O)NC(=O)c1[s]ccc1Br Amb25718498 [0,2,0,0,0,0|1,1,0]=4 1986 B12R1.144 CC(=O)NC(=O)c1[s]ccc1I Amb24525701 [0,2,0,0,0,0|1,1,0]=4 1987 B12R1.144 CC(C)=CC(=O)c1[s]ccc1Br Amb24701030 [0,2,0,0,0,0|1,1,0]=4 1988 B12R1.144 CC(C)=CC(=O)c1[s]ccc1C Amb25282586 [0,2,0,0,0,0|1,1,0]=4 1989 B12R1.144 CC(C)=CC(=O)c1[s]ccc1Cl Amb25304773 [0,2,0,0,0,0|1,1,0]=4 1990 B12R1.144 CC(C)=CC(=O)c1[s]ccc1F Amb24445567 [0,2,0,0,0,0|1,1,0]=4 1991 B12R1.144 CC(C)=CC(=O)c1[s]ccc1I Amb25058087 [0,2,0,0,0,0|1,1,0]=4 1992 B12R1.144 CC(C)=CC(N)c1occc1C Amb25731601 [0,2,0,0,0,0|1,0,1]=4 1993 B12R1.144 CC(C)=CC(O)c1occc1C Amb25198447 [0,2,0,0,0,0|1,0,1]=4 1994 B12R1.144 C\C(=C\C(C)=O)\c1[n]cc[n]1C Amb25347165 [0,2,0,0,0,0|2,0,0]=4 1995 B12R1.144 C\C(=C\C(C)=O)\c1cc[n][n]1C Amb25686586 [0,2,0,0,0,0|2,0,0]=4 1996 B12R1.144 Cc1cc[s]c1\C(\C)=C/C(O)=O Amb25148504 [0,2,0,0,0,0|1,1,0]=4 1997 B12R1.144 Cc1ccoc1C(=O)NC(N)=O Amb24487285 [0,2,0,0,0,0|2,0,0]=4 1998 B12R1.144 NC(=O)NC(=O)c1occc1N Amb25074744 [0,2,0,0,0,0|2,0,0]=4 1999 B12R1.259 CC(=O)SC(c1ccco1)([2H])[2H] Amb17614667 [0,2,0,0,0,0|1,0,1]=4 2000 B12R1.265 CS(=O)(=O)CC(=O)c1ccco1 Amb19071540 [0,2,0,0,0,0|1,0,1]=4 2001 B12R1.265 CS(=O)(=O)NC(=O)c1ccco1 Amb22455218 [0,2,0,0,0,0|2,0,0]=4 2002 B12R1.476 CC(=O)CC(C#N)c1ccco1 Amb25795308 [0,2,0,0,0,0|0,0,2]=4 2003 B12R1.476 CC(=O)N[C@@H](CC)c1ccco1 Amb25840906 [0,2,0,0,0,0|1,0,1]=4 2004 B12R1.476 CC(=O)N\C(=C\C)\c1ccc[s]1 Amb24757658 [0,2,0,0,0,0|1,1,0]=4 2005 B12R1.476 CC(=O)OC(C=C)c1ccco1 Amb20248369 [0,2,0,0,0,0|1,0,1]=4 2006 B12R1.476 CC(C)=CC(NN)c1ccco1 Amb25839982 [0,2,0,0,0,0|1,0,1]=4 2007 B12R1.476 CC\C(=C\C(O)=O)\c1ccco1 Amb18299853 [0,2,0,0,0,0|1,0,0]=3 2008 B12R1.476 N#CC(c1ccco1)NC(=O)C Amb17334597 [0,2,0,0,0,0|1,0,1]=4 2009 B12R1.476 N#C\C(=C/C(=O)[O-])\c1cccs1 Amb2434820 [0,2,0,0,0,0|1,1,0]=4 2010 B12R1.476 N#C\C(=C\C(=O)Cl)\c1ccc[s]1 Amb25045398 [0,2,0,0,0,0|1,1,0]=4 2011 B12R1.476 N#C\C(=C\C([O-])=O)\c1ccc[s]1 Amb25173929 [0,2,0,0,0,0|1,1,0]=4 2012 B12R1.476 OC(=O)C\C(=N\O)\c1ccco1 Amb24571909 [0,2,0,0,0,0|1,0,1]=4 2013 B12R1.81 CC(=O)O\C=C/1\C=CC=C1C=O Amb25289187 [0,2,0,0,0,0|2,0,0]=4 2014 B12R1.81 CC(=O)O\C=C\1/C=CC=C1C=O Amb25733098 [0,2,0,0,0,0|2,0,0]=4 2015 B12R1.81 CC(=O)\C=C\c1[n]cc[n]1CC Amb24600875 [0,2,0,0,0,0|2,0,0]=4 2016 B12R1.81 CC(=O)\C=C\c1[s]ccc1C=O Amb24579439 [0,2,0,0,0,0|0,1,0]=3 2017 B12R1.81 CC(=O)\C=C\c1c[n]c[n]1CC Amb25211224 [0,2,0,0,0,0|2,0,0]=4 2018 B12R1.81 CC[n]1cccc1\C=C\C(=O)Cl Amb24524845 [0,2,0,0,0,0|2,0,0]=4 2019 B12R1.81 CCn1cccc1\C=C\C(=O)O Amb17116514 [0,2,0,0,0,0|2,0,0]=4 2020 B12R1.81 COc1cc[s]c1\C=C\C(O)=O Amb24740865 [0,2,0,0,0,0|1,1,0]=4 2021 B12R1.895 CC(=O)\C=C\c1c(Cl)c[n][n]1C Amb25210115 [0,2,0,0,0,0|2,0,0]=4 2022 B12R1.895 Cc1c[n][n](C)c1\C=C\C(C)=O Amb24560173 [0,2,0,0,0,0|2,0,0]=4 2023 B10R1.10 Cc1cc(\C=C/Br)ccc1 Amb24737652 [0,0,1,1,0,0|2,0,0]=4 2024 B10R1.10 Cc1cc(\C=N\O)ccc1 Amb18041948 [0,0,1,1,0,0|2,0,0]=4 2025 B10R1.10 Cc1cccc(C=NO)[n]1 Amb24077154 [0,0,1,1,0,0|2,0,0]=4 2026 B10R1.10 Cc1cccc(\C=C\C)[n]1 Amb25258529 [0,0,1,1,0,0|2,0,0]=4 2027 B10R1.10 Cc1cccc(n1)\C=N\O Amb2099576 [0,0,1,1,0,0|2,0,0]=4 2028 B10R1.18 CC(=O)Cc1ccc[n]c1 Amb22587708 [0,0,1,1,0,0|1,0,1]=4 2029 B10R1.18 CC(=O)Cc1ccccn1 Amb1995147 [0,0,1,1,0,0|1,0,1]=4 2030 B10R1.18 CC(=O)Cc1cccnc1 Amb10608569 [0,0,1,1,0,0|1,0,1]=4 2031 B10R1.18 CC(=O)N[13c]1[13cH][13cH][13cH][13cH][13cH]1 Amb17607311 [0,0,1,1,0,0|2,0,0]=4 2032 B10R1.18 CC(=O)Oc1ccccc1 Amb22367025 [0,0,1,1,0,0|2,0,0]=4 2033 B10R1.18 CC(=O)Oc1ccccn1 Amb17619694 [0,0,1,1,0,0|2,0,0]=4 2034 B10R1.18 CC(=O)Sc1ccccc1 Amb10575810 [0,0,1,1,0,0|2,0,0]=4 2035 B10R1.18 CC(=O)[15NH]c1ccccc1 Amb22338649 [0,0,1,1,0,0|2,0,0]=4 2036 B10R1.18 CC(=O)\C=C\1/C=CC=CS1 Amb24610243 [0,0,1,1,0,0|0,1,0]=3 2037 B10R1.18 CC(C)=Cc1c[n]ccc1 Amb24417745 [0,0,1,1,0,0|2,0,0]=4 2038 B10R1.18 C[13C](=O)N[13c]1[13cH][13cH][13cH][13cH][13cH]1 Amb22367563 [0,0,1,1,0,0|2,0,0]=4 2039 B10R1.18 C\C(\N)=C\c1cccc[n]1 Amb24518492 [0,0,1,1,0,0|2,0,0]=4 2040 B10R1.18 C\C(\O)=C/c1ccccc1 Amb24095309 [0,0,1,1,0,0|1,0,1]=4 2041 B10R1.18 C\C(\O)=C\c1cccc[n]1 Amb24100261 [0,0,1,1,0,0|1,0,1]=4 2042 B10R1.39 CC(=O)C/1=CC=C\C1=C\O Amb24582674 [0,0,1,1,0,0|0,0,0]=2 2043 B10R1.39 CC(=O)c1c[nH]cc1C=O Amb24740362 [0,0,1,1,0,0|1,0,1]=4 2044 B10R1.39 CC(=O)c1c[nH]cc1CO Amb24091159 [0,0,1,1,0,0|1,0,1]=4 2045 B10R1.39 CC(=O)c1cc[nH]c1CO Amb24479022 [0,0,1,1,0,0|1,0,1]=4 2046 B10R1.39 CC(=O)c1cc[n][n]1C=C Amb25212127 [0,0,1,1,0,0|2,0,0]=4 2047 B10R1.39 CC(=O)c1ccc[n]1C=O Amb25322778 [0,0,1,1,0,0|1,0,1]=4 2048 B10R1.39 O=Cc1cccn1C(=O)C Amb17215882 [0,0,1,1,0,0|1,0,1]=4 2049 B10R1.39 OC(=O)c1ccoc1C=O Amb18202919 [0,0,1,1,0,0|2,0,0]=4 2050 B10R1.39 O\C=C\1/C=CC=C1C(=O)C Amb17593449 [0,0,1,1,0,0|0,0,0]=2 2051 B10R1.61 CC(=C)c1ccccc1Br Amb25797043 [0,0,1,1,0,0|2,0,0]=4 2052 B10R1.61 CC(=C)c1ccccc1Cl Amb24720539 [0,0,1,1,0,0|2,0,0]=4 2053 B10R1.61 CC(=C)c1ccccc1O Amb18124426 [0,0,1,1,0,0|1,0,0]=3 2054 B10R1.61 CC(=N)c1ccccc1O Amb24505228 [0,0,1,1,0,0|1,0,0]=3 2055 B10R1.61 CC(=O)C1=CC=CNC1=O Amb18263217 [0,0,1,1,0,0|1,0,1]=4 2056 B10R1.61 CC(=O)C1=CNC=CC1=O Amb22522167 [0,0,1,1,0,0|1,0,1]=4 2057 B10R1.61 CC(=O)C1C=CC=CC1=C Amb24408031 [0,0,1,1,0,0|1,0,1]=4 2058 B10R1.61 CC(=O)c1[n]cccc1Br Amb19959407 [0,0,1,1,0,0|2,0,0]=4 2059 B10R1.61 CC(=O)c1[n]cccc1Cl Amb22233858 [0,0,1,1,0,0|2,0,0]=4 2060 B10R1.61 CC(=O)c1[n]cccc1I Amb23402738 [0,0,1,1,0,0|2,0,0]=4 2061 B10R1.61 CC(=O)c1c[n]ccc1F Amb22233738 [0,0,1,1,0,0|2,0,0]=4 2062 B10R1.61 CC(=O)c1c[n]ccc1N Amb23401918 [0,0,1,1,0,0|2,0,0]=4 2063 B10R1.61 CC(=O)c1cc[n]cc1Br Amb21858252 [0,0,1,1,0,0|2,0,0]=4 2064 B10R1.61 CC(=O)c1cc[n]cc1Cl Amb22494032 [0,0,1,1,0,0|2,0,0]=4 2065 B10R1.61 CC(=O)c1cc[n]cc1I Amb24638217 [0,0,1,1,0,0|2,0,0]=4 2066 B10R1.61 CC(=O)c1cc[n]cc1O Amb18643112 [0,0,1,1,0,0|1,0,0]=3 2067 B10R1.61 CC(=O)c1ccc[n]c1O Amb18832396 [0,0,1,1,0,0|1,0,0]=3 2068 B10R1.61 CC(=O)c1cccc[n+]1C Amb10573498 [0,0,1,1,0,0|2,0,0]=4 2069 B10R1.61 CC(=O)c1ccccc1Br Amb1232838 [0,0,1,1,0,0|1,0,0]=3 2070 B10R1.61 CC(=O)c1ccccc1S Amb22396354 [0,0,1,1,0,0|0,1,0]=3 2071 B10R1.61 CC(=O)c1cccnc1Br Amb10602206 [0,0,1,1,0,0|2,0,0]=4 2072 B10R1.61 CC(=O)c1cccnc1F Amb2447597 [0,0,1,1,0,0|2,0,0]=4 2073 B10R1.61 CC(=O)c1ccncc1F Amb10603317 [0,0,1,1,0,0|2,0,0]=4 2074 B10R1.61 CC(=O)c1ncccc1C Amb10067752 [0,0,1,1,0,0|2,0,0]=4 2075 B10R1.61 CC(=O)c1ncccc1O Amb16233269 [0,0,1,1,0,0|1,0,0]=3 2076 B10R1.61 CC(=S)c1ccccc1F Amb25114147 [0,0,1,1,0,0|1,1,0]=4 2077 B10R1.61 CC(=S)c1ccccc1O Amb25116058 [0,0,1,1,0,0|0,1,0]=3 2078 B10R1.61 CC(Br)c1ccccc1O Amb25733525 [0,0,1,1,0,0|1,0,1]=4 2079 B10R1.61 CC(c1ccccc1O)N Amb1120555 [0,0,1,1,0,0|1,0,1]=4 2080 B10R1.61 CS(=O)c1ccccc1Br Amb19891620 [0,0,1,1,0,0|2,0,0]=4 2081 B10R1.61 CS(=O)c1ccccc1F Amb10839323 [0,0,1,1,0,0|2,0,0]=4 2082 B10R1.61 CS(=O)c1ccccc1I Amb19930098 [0,0,1,1,0,0|2,0,0]=4 2083 B10R1.61 CS(=O)c1ccccc1N Amb18945203 [0,0,1,1,0,0|2,0,0]=4 2084 B10R1.61 CS(=O)c1ccccc1O Amb2420338 [0,0,1,1,0,0|1,0,0]=3 2085 B10R1.61 C[C@@H](N)c1ccccc1O Amb22748922 [0,0,1,1,0,0|1,0,1]=4 2086 B10R1.61 C[C@H](O)c1ccccc1O Amb24476869 [0,0,1,1,0,0|0,0,2]=4 2087 B10R1.61 C[SiH](C)c1ccccc1O Amb24478319 [0,0,1,1,0,0|1,1,0]=4 2088 B10R1.61 C\C(\N)=C/1\C=CC=CC1=O Amb25147320 [0,0,1,1,0,0|1,0,1]=4 2089 B10R1.61 C\C(\N)=C\1/C=CC=CC1=O Amb24583511 [0,0,1,1,0,0|1,0,1]=4 2090 B10R1.61 C\C(\O)=C/1\C=CC=CC1=C Amb25269599 [0,0,1,1,0,0|1,0,1]=4 2091 B10R1.61 Cc1[n]cccc1C(C)=O Amb18832502 [0,0,1,1,0,0|2,0,0]=4 2092 B10R1.61 Cc1c[n]ccc1C(C)=O Amb25757892 [0,0,1,1,0,0|1,0,1]=4 2093 B10R1.61 Cc1cc[n]cc1C(C)=O Amb21964244 [0,0,1,1,0,0|2,0,0]=4 2094 B10R1.61 Cc1ccccc1C(Br)=O Amb17844075 [0,0,1,1,0,0|2,0,0]=4 2095 B10R1.61 Cc1ccccc1C(C)=C Amb22043466 [0,0,1,1,0,0|2,0,0]=4 2096 B10R1.61 Cc1ccccc1S(C)=O Amb25092647 [0,0,1,1,0,0|2,0,0]=4 2097 B10R1.61 NC(=O)c1cc[n]cc1O Amb23401565 [0,0,1,1,0,0|2,0,0]=4 2098 B10R1.61 NC(=O)c1ccc[n]c1O Amb18643213 [0,0,1,1,0,0|2,0,0]=4 2099 B10R1.61 NC(=O)c1ccccc1F Amb1221270 [0,0,1,1,0,0|2,0,0]=4 2100 B10R1.61 NC(=O)c1ccccc1I Amb2384520 [0,0,1,1,0,0|2,0,0]=4 2101 B10R1.61 NC(=O)c1ccccc1N Amb1212111 [0,0,1,1,0,0|2,0,0]=4 2102 B10R1.61 NC(=O)c1ccccc1O Amb1935248 [0,0,1,1,0,0|1,0,0]=3 2103 B10R1.61 Nc1ccccc1C(=O)Cl Amb20620197 [0,0,1,1,0,0|2,0,0]=4 2104 B10R1.61 Nc1ccccc1C(=O)S Amb24563424 [0,0,1,1,0,0|2,0,0]=4 2105 B10R1.61 O=C(Cl)c1ccccc1S Amb25770152 [0,0,1,1,0,0|1,1,0]=4 2106 B10R1.61 OC(=O)C1=[N](O)C=CC=C1 Amb17842698 [0,0,1,1,0,0|2,0,0]=4 2107 B10R1.61 OC(=O)[13c]1[13cH][13cH][13cH][13cH][13c]1O Amb17620019 [0,0,1,1,0,0|1,0,0]=3 2108 B10R1.61 OC(=O)c1ccccc1Cl Amb1935156 [0,0,1,1,0,0|2,0,0]=4 2109 B10R1.61 OC(=O)c1ccccc1Cl Amb22469215 [0,0,1,1,0,0|2,0,0]=4 2110 B10R1.61 OC(=O)c1ccccc1N Amb1933714 [0,0,1,1,0,0|2,0,0]=4 2111 B10R1.61 OC(=O)c1ccccc1O Amb11012607 [0,0,1,1,0,0|1,0,0]=3 2112 B10R1.61 OC(=O)c1ccccc1O Amb1912504 [0,0,1,1,0,0|1,0,0]=3 2113 B10R1.61 OC(=O)c1ccccc1O Amb22730296 [0,0,1,1,0,0|1,0,0]=3 2114 B10R1.61 OC(=O)c1cccnc1O Amb1950661 [0,0,1,1,0,0|2,0,0]=4 2115 B10R1.61 OC(=O)c1cnccc1O Amb1420333 [0,0,1,1,0,0|2,0,0]=4 2116 B10R1.61 Oc1[n]cccc1C(=O)Cl Amb24371117 [0,0,1,1,0,0|2,0,0]=4 2117 B10R1.61 Oc1c[n]ccc1C(=O)Cl Amb24584161 [0,0,1,1,0,0|2,0,0]=4 2118 B10R1.61 Oc1ccccc1C(=O)Br Amb24084360 [0,0,1,1,0,0|1,0,0]=3 2119 B10R1.61 Oc1ccccc1C(O)=O Amb22395961 [0,0,1,1,0,0|1,0,0]=3 2120 B10R1.61 Oc1ccccc1C(O)=O Amb22552528 [0,0,1,1,0,0|1,0,0]=3 2121 B10R1.61 Oc1ccccc1C(O)=O Amb22731482 [0,0,1,1,0,0|1,0,0]=3 2122 B10R1.61 Oc1ccccc1C(O)=O Amb22731708 [0,0,1,1,0,0|1,0,0]=3 2123 B10R1.61 Oc1ccccc1C(O)=S Amb22734424 [0,0,1,1,0,0|1,0,1]=4 2124 B10R1.61 Oc1ccccc1S(O)=O Amb25044336 [0,0,1,1,0,0|2,0,0]=4 2125 B10R1.61 Oc1ccccc1[13C](O)=O Amb22367300 [0,0,1,1,0,0|1,0,0]=3 2126 B10R1.61 Oc1ccccc1[14C](O)=O Amb22349940 [0,0,1,1,0,0|1,0,0]=3 2127 B10R1.61 [13CH3]c1ccccc1[13C](O)=O Amb22056255 [0,0,1,1,0,0|2,0,0]=4 2128 B10R1.61 [O-]C(=O)c1ccccc1Br Amb2227647 [0,0,1,1,0,0|2,0,0]=4 2129 B10R1.61 [O-]C(=O)c1ccccc1Cl Amb10071066 [0,0,1,1,0,0|2,0,0]=4 2130 B10R1.61 [O-]C(=O)c1ccccc1O Amb10807392 [0,0,1,1,0,0|1,0,0]=3 2131 B10R1.61 [O-]C(=O)c1ccccc1O Amb20246478 [0,0,1,1,0,0|1,0,0]=3 2132 B10R1.61 [O-]C(=O)c1ccccc1O Amb20246479 [0,0,1,1,0,0|1,0,0]=3 2133 B10R1.61 [O-]C(=O)c1ccccc1O Amb20246572 [0,0,1,1,0,0|1,0,0]=3 2134 B10R1.61 [O-]C(=O)c1ccccc1O Amb22051701 [0,0,1,1,0,0|1,0,0]=3 2135 B10R1.61 [O-]C(=O)c1ccccc1O Amb22166780 [0,0,1,1,0,0|1,0,0]=3 2136 B10R1.61 [O-]C(=O)c1ccccc1O Amb22338523 [0,0,1,1,0,0|1,0,0]=3 2137 B10R1.61 [O-]C(=O)c1ccccc1O Amb22351945 [0,0,1,1,0,0|1,0,0]=3 2138 B10R1.61 [O-]C(=O)c1ccccc1O Amb22474113 [0,0,1,1,0,0|1,0,0]=3 2139 B10R1.61 [O-]C(=O)c1ccccc1O Amb22728988 [0,0,1,1,0,0|1,0,0]=3 2140 B10R1.61 [O-]C(=O)c1ccccc1O Amb22730611 [0,0,1,1,0,0|1,0,0]=3 2141 B10R1.61 [O-]C(=O)c1ccccc1O Amb22732058 [0,0,1,1,0,0|1,0,0]=3 2142 B10R1.61 [O-]C(=O)c1ccccc1O Amb22732059 [0,0,1,1,0,0|1,0,0]=3 2143 B10R1.61 [O-]C(=O)c1ccccc1O Amb22734697 [0,0,1,1,0,0|1,0,0]=3 2144 B10R1.61 [O-]C(=O)c1ccccc1S Amb21928585 [0,0,1,1,0,0|1,1,0]=4 2145 B10R1.61 [O-]C(=O)c1ccccc1S Amb22729716 [0,0,1,1,0,0|1,1,0]=4 2146 B10R1.61 [O-]C(=O)c1ccccc1[S-] Amb20239365 [0,0,1,1,0,0|1,1,0]=4 2147 B10R1.61 [O-]c1ccccc1C([O-])=O Amb22045661 [0,0,1,1,0,0|1,0,1]=4 2148 B10R1.78 O=C1CC=CCC=CC=C1 Amb24603480 [0,0,1,1,0,0|1,0,1]=4 2149 B10R1.162 O=C1CC(=CC=CO1)C=O Amb25319299 [0,0,1,1,0,0|1,0,1]=4 2150 B10R1.348 CC(=O)C=1C=CN=C=CC1 Amb24363721 [0,0,1,1,0,0|1,0,1]=4 2151 B10R1.348 NC(=O)C1=CC=CC=CO1 Amb24428634 [0,0,1,1,0,0|1,0,0]=3 2152 B10R1.348 NC(=O)C=1C=CCC=CC1 Amb25368351 [0,0,1,1,0,0|2,0,0]=4 2153 B10R1.348 NC(=O)C=1CC=CC=CC1 Amb25709062 [0,0,1,1,0,0|2,0,0]=4 2154 B10R1.348 O=C(Cl)C=1CC=CC=CC1 Amb25374042 [0,0,1,1,0,0|2,0,0]=4 2155 B10R1.348 OC(=O)C=1C=COC=CC1 Amb25132139 [0,0,1,1,0,0|1,0,0]=3 2156 B10R1.31 CC(=O)c1c[nH]c(c1)C=O Amb18643120 [0,0,1,1,0,0|2,0,0]=4 2157 B10R1.31 CC(=O)c1c[s]c(c1)C=O Amb18125727 [0,0,1,1,0,0|1,1,0]=4 2158 B10R1.31 CC(=O)c1cc(C=C)[n][nH]1 Amb25146592 [0,0,1,1,0,0|2,0,0]=4 2159 B10R1.31 CC(=O)c1cc(c[s]1)OC Amb25088132 [0,0,1,1,0,0|1,0,1]=4 2160 B10R1.31 CC(=O)c1ccc(o1)OC Amb25347614 [0,0,1,1,0,0|1,0,1]=4 2161 B10R1.31 CC(=O)c1coc(CBr)c1 Amb24637997 [0,0,1,1,0,0|1,0,1]=4 2162 B10R1.31 CC(=O)c1coc(CN)c1 Amb24457257 [0,0,1,1,0,0|1,0,1]=4 2163 B10R1.31 CC(=O)c1coc(c1)C#N Amb24502319 [0,0,1,1,0,0|1,0,1]=4 2164 B10R1.31 CC(=O)c1coc(c1)C=O Amb25202420 [0,0,1,1,0,0|1,0,0]=3 2165 B10R1.31 OC(=O)c1coc(c1)C=O Amb18202918 [0,0,1,1,0,0|2,0,0]=4 2166 B10R1.1 C=COc1ccc(Br)cc1 Amb24366552 [0,0,1,1,0,0|1,0,1]=4 2167 B10R1.1 C=COc1ccc(I)cc1 Amb24753381 [0,0,1,1,0,0|1,0,1]=4 2168 B10R1.1 C=COc1ccc(O)cc1 Amb25134046 [0,0,1,1,0,0|0,0,2]=4 2169 B10R1.1 Cc1ccc(OC=C)cc1 Amb17674188 [0,0,1,1,0,0|1,0,0]=3 2170 B10R1.1 Cc1ccc(cc1)OC=O Amb25248584 [0,0,1,1,0,0|2,0,0]=4 2171 B10R1.1 Cc1ccc(cc1)SC=C Amb24375563 [0,0,1,1,0,0|1,1,0]=4 2172 B10R1.1 O=C1CC\C(\C=C1)=C\C=O Amb18643064 [0,0,1,1,0,0|2,0,0]=4 2173 B10R1.30 C=CC1CC(=O)C=CC1O Amb25233317 [0,0,1,1,0,0|0,0,2]=4 2174 B10R1.30 C=C[C@@H]1CC(=O)C=C[C@H]1O Amb25318924 [0,0,1,1,0,0|0,0,2]=4 2175 B10R1.30 C=Cc1[n]c(Cl)ccc1O Amb25354888 [0,0,1,1,0,0|2,0,0]=4 2176 B10R1.30 C=Cc1[n]c(F)ccc1O Amb24436835 [0,0,1,1,0,0|2,0,0]=4 2177 B10R1.30 C=Cc1cc(F)ccc1O Amb22899615 [0,0,1,1,0,0|1,0,1]=4 2178 B10R1.30 C=Cc1cc(O)ccc1O Amb17593445 [0,0,1,1,0,0|0,0,2]=4 2179 B10R1.30 Cc1cc(C=C)c(O)cc1 Amb24714553 [0,0,1,1,0,0|1,0,0]=3 2180 B10R1.30 Cc1cc(C=N)c(O)cc1 Amb25767003 [0,0,1,1,0,0|2,0,0]=4 2181 B10R1.30 Cc1ccc(C)[n]c1C=C Amb25196622 [0,0,1,1,0,0|2,0,0]=4 2182 B10R1.30 Cc1ccc(F)c(C=C)[n]1 Amb24696770 [0,0,1,1,0,0|2,0,0]=4 2183 B10R1.30 Cc1ccc(N)c(C=C)[n]1 Amb25841709 [0,0,1,1,0,0|2,0,0]=4 2184 B10R1.30 O=Cc1cc(C)ccc1O Amb1814688 [0,0,1,1,0,0|2,0,0]=4 2185 B10R1.30 O=Cc1nc(C)ccc1O Amb10608389 [0,0,1,1,0,0|2,0,0]=4 2186 B10R1.59 Cc1cc(c(O)o1)C(C)=O Amb24524533 [0,0,1,1,0,0|1,0,1]=4 2187 B10R1.71 O=C1C=CC(=O)C=CC=C1 Amb24478114 [0,0,1,1,0,0|0,0,2]=4 2188 B10R1.113 Brc1nccc(c1)C(=O)C Amb10069912 [0,0,1,1,0,0|2,0,0]=4 2189 B10R1.113 C=C(Br)c1cccc(O)c1 Amb25130635 [0,0,1,1,0,0|1,0,1]=4 2190 B10R1.113 CC(=C)c1cccc(Br)c1 Amb24448711 [0,0,1,1,0,0|2,0,0]=4 2191 B10R1.113 CC(=C)c1cccc(Cl)c1 Amb24088166 [0,0,1,1,0,0|2,0,0]=4 2192 B10R1.113 CC(=C)c1cccc(F)c1 Amb25133875 [0,0,1,1,0,0|2,0,0]=4 2193 B10R1.113 CC(=C)c1cccc(O)c1 Amb18124424 [0,0,1,1,0,0|1,0,0]=3 2194 B10R1.113 CC(=O)C1=CC=CC(=O)N1 Amb22372289 [0,0,1,1,0,0|1,0,1]=4 2195 B10R1.113 CC(=O)C1=CC=CC(=S)N1 Amb24518912 [0,0,1,1,0,0|1,1,0]=4 2196 B10R1.113 CC(=O)c1c[n]cc(F)c1 Amb19374623 [0,0,1,1,0,0|2,0,0]=4 2197 B10R1.113 CC(=O)c1c[n]cc(F)c1 Amb22275941 [0,0,1,1,0,0|2,0,0]=4 2198 B10R1.113 CC(=O)c1c[n]cc(O)c1 Amb23399982 [0,0,1,1,0,0|1,0,0]=3 2199 B10R1.113 CC(=O)c1cc(Br)cc[n]1 Amb21858737 [0,0,1,1,0,0|2,0,0]=4 2200 B10R1.113 CC(=O)c1cc(Cl)ccn1 Amb10603326 [0,0,1,1,0,0|2,0,0]=4 2201 B10R1.113 CC(=O)c1cc(F)cc[n]1 Amb25689744 [0,0,1,1,0,0|2,0,0]=4 2202 B10R1.113 CC(=O)c1cc(N)cc[n]1 Amb23401922 [0,0,1,1,0,0|2,0,0]=4 2203 B10R1.113 CC(=O)c1cc(O)[n]c[n]1 Amb24611055 [0,0,1,1,0,0|2,0,0]=4 2204 B10R1.113 CC(=O)c1cc(O)cc[n]1 Amb23399916 [0,0,1,1,0,0|1,0,0]=3 2205 B10R1.113 CC(=O)c1cc[n]c(Br)c1 Amb21964445 [0,0,1,1,0,0|2,0,0]=4 2206 B10R1.113 CC(=O)c1cc[n]c(N)c1 Amb18643066 [0,0,1,1,0,0|2,0,0]=4 2207 B10R1.113 CC(=O)c1cccc(F)[n]1 Amb21857925 [0,0,1,1,0,0|2,0,0]=4 2208 B10R1.113 CC(=O)c1cccc(N)[n]1 Amb23401921 [0,0,1,1,0,0|2,0,0]=4 2209 B10R1.113 CC(=O)c1cccc(S)c1 Amb19374493 [0,0,1,1,0,0|0,1,0]=3 2210 B10R1.113 CC(F)c1cccc(O)c1 Amb24529130 [0,0,1,1,0,0|1,0,1]=4 2211 B10R1.113 CS(=O)c1cc[n]c(O)c1 Amb25313323 [0,0,1,1,0,0|2,0,0]=4 2212 B10R1.113 CS(=O)c1cccc(Br)c1 Amb19891299 [0,0,1,1,0,0|2,0,0]=4 2213 B10R1.113 CS(=O)c1cccc(Cl)c1 Amb19892202 [0,0,1,1,0,0|2,0,0]=4 2214 B10R1.113 CS(=O)c1cccc(F)c1 Amb19892020 [0,0,1,1,0,0|2,0,0]=4 2215 B10R1.113 C[As](C)c1cccc(O)c1 Amb22347180 [0,0,1,1,0,0|2,0,0]=4 2216 B10R1.113 C[C@@H](N)c1cccc(O)c1 Amb22748255 [0,0,1,1,0,0|1,0,1]=4 2217 B10R1.113 C[n+]1cccc(c1)C(=O)C Amb10573212 [0,0,1,1,0,0|2,0,0]=4 2218 B10R1.113 C[n+]1cccc(c1)C(=O)C Amb10573246 [0,0,1,1,0,0|2,0,0]=4 2219 B10R1.113 Cc1c[n]cc(c1)C(C)=O Amb21964245 [0,0,1,1,0,0|2,0,0]=4 2220 B10R1.113 Cc1cc(cc[n]1)C(C)=O Amb19957654 [0,0,1,1,0,0|1,0,1]=4 2221 B10R1.113 Cc1cccc(c1)C(=C)C Amb10844683 [0,0,1,1,0,0|2,0,0]=4 2222 B10R1.113 Cc1cccc(c1)S(C)=O Amb19892225 [0,0,1,1,0,0|2,0,0]=4 2223 B10R1.113 Cc1cccc(n1)C(=O)C Amb10069245 [0,0,1,1,0,0|2,0,0]=4 2224 B10R1.113 Clc1cccc(c1)C(=O)N Amb1218066 [0,0,1,1,0,0|2,0,0]=4 2225 B10R1.113 Clc1cccc(c1)C(=O)O Amb2223069 [0,0,1,1,0,0|2,0,0]=4 2226 B10R1.113 Clc1cccc(c1)C(=O)[O-] Amb10069116 [0,0,1,1,0,0|2,0,0]=4 2227 B10R1.113 Clc1cccc(n1)C(=O)C Amb10603338 [0,0,1,1,0,0|2,0,0]=4 2228 B10R1.113 Fc1nccc(c1)C(=O)C Amb10066942 [0,0,1,1,0,0|2,0,0]=4 2229 B10R1.113 NC(=O)c1cc(O)cc[n]1 Amb23412183 [0,0,1,1,0,0|2,0,0]=4 2230 B10R1.113 NC(=O)c1cc(O)cnc1 Amb10608604 [0,0,1,1,0,0|2,0,0]=4 2231 B10R1.113 NC(=O)c1cccc(O)[n]1 Amb24182048 [0,0,1,1,0,0|2,0,0]=4 2232 B10R1.113 NC(=O)c1cccc(S)c1 Amb24059371 [0,0,1,1,0,0|1,1,0]=4 2233 B10R1.113 Nc1cc(ccc1)C(=O)Cl Amb24085841 [0,0,1,1,0,0|2,0,0]=4 2234 B10R1.113 Nc1cc(ccc1)C(=O)F Amb25698257 [0,0,1,1,0,0|2,0,0]=4 2235 B10R1.113 Nc1cc(ccc1)C([O-])=O Amb22730283 [0,0,1,1,0,0|2,0,0]=4 2236 B10R1.113 Nc1cccc(c1)C(=C)C Amb17107084 [0,0,1,1,0,0|2,0,0]=4 2237 B10R1.113 Nc1cccc(c1)C(=O)N Amb1106189 [0,0,1,1,0,0|2,0,0]=4 2238 B10R1.113 Nc1cccc(c1)C(=O)O Amb1935166 [0,0,1,1,0,0|2,0,0]=4 2239 B10R1.113 O=C(Cl)c1cccc(S)c1 Amb21961741 [0,0,1,1,0,0|1,1,0]=4 2240 B10R1.113 Oc1cc(ccc1)C(=O)Br Amb24102249 [0,0,1,1,0,0|1,0,0]=3 2241 B10R1.113 Oc1cc(ccc1)N(=O)=O Amb20621867 [0,0,1,1,0,0|2,0,0]=4 2242 B10R1.113 Oc1cccc(c1)C(=N)N Amb13883012 [0,0,1,1,0,0|2,0,0]=4 2243 B10R1.113 Oc1cccc(c1)C(=O)O Amb1208301 [0,0,1,1,0,0|1,0,0]=3 2244 B10R1.113 Oc1cccc(c1)C(N)C Amb10201554 [0,0,1,1,0,0|1,0,1]=4 2245 B10R1.113 Oc1cccc(c1)C(N)C Amb1116261 [0,0,1,1,0,0|1,0,1]=4 2246 B10R1.113 Oc1cccc(c1)P(O)=O Amb25318918 [0,0,1,1,0,0|2,0,0]=4 2247 B10R1.113 Oc1cccc(c1)[C@@H](O)C Amb13952963 [0,0,1,1,0,0|0,0,2]=4 2248 B10R1.113 Oc1cccc(c1)[C@H](O)C Amb13952964 [0,0,1,1,0,0|0,0,2]=4 2249 B10R1.113 Oc1cccc(c1)[N+](=O)[O-] Amb1929299 [0,0,1,1,0,0|2,0,0]=4 2250 B10R1.113 Oc1ccnc(c1)C(=O)O Amb1303199 [0,0,1,1,0,0|2,0,0]=4 2251 B10R1.113 Oc1cncc(c1)C(=O)[O-] Amb1775314 [0,0,1,1,0,0|2,0,0]=4 2252 B10R1.113 [O-]C(=O)c1cccc(O)c1 Amb22277134 [0,0,1,1,0,0|1,0,0]=3 2253 B10R1.140 C\C=C\C(=O)C=1CC(=O)C1 Amb24698889 [0,0,1,1,0,0|0,0,2]=4 2254 B10R2.7 C1C=CC=C2N=CN=C21 Amb24079300 [1,0,0,1,0,0|2,0,0]=4 2255 B10R2.7 C1C=Cc2[n]cccc21 Amb22496284 [1,0,0,1,0,0|2,0,0]=4 2256 B10R2.7 C1CC=Cc2occc21 Amb25067337 [1,0,0,1,0,0|0,0,1]=3 2257 B10R2.7 C1C[n]2cccc2C=C1 Amb24478616 [1,0,0,1,0,0|1,0,1]=4 2258 B10R2.7 C1N=CC=C2C=CC=C21 Amb24340277 [1,0,0,1,0,0|2,0,0]=4 2259 B10R2.7 C1NC=Nc2occc21 Amb25775641 [1,0,0,1,0,0|2,0,0]=4 2260 B10R2.7 c1[n]c2ccoc2c[n]1 Amb24081814 [1,0,0,1,0,0|2,0,0]=4 2261 B10R2.7 c1[n]ccc2occc21 Amb19895064 [1,0,0,1,0,0|1,0,1]=4 2262 B10R2.7 c1[n]oc2ccc[n]c21 Amb25146891 [1,0,0,1,0,0|2,0,0]=4 2263 B10R2.7 c1cc[n]c2occc21 Amb21963452 [1,0,0,1,0,0|1,0,1]=4 2264 B10R2.7 c1ccc2c(c1)C=CC2 Amb2383760 [1,0,0,1,0,0|1,0,1]=4 2265 B10R2.7 c1ccc2c(c1)onc2 Amb1233398 [1,0,0,1,0,0|1,0,1]=4 2266 B10R2.7 c1ccc2n(c1)ccc2 Amb10605601 [1,0,0,1,0,0|1,0,1]=4 2267 B10R2.7 c1cnc2c(c1)occ2 Amb16185654 [1,0,0,1,0,0|1,0,0]=3 2268 B10R2.7 c1cnc2c(c1)ocn2 Amb17194206 [1,0,0,1,0,0|2,0,0]=4 2269 B10R2.7 c1cnc2c(c1)scc2 Amb10070404 [1,0,0,1,0,0|1,1,0]=4 2270 B10R2.7 c1ncc2c(c1)cco2 Amb10067356 [1,0,0,1,0,0|1,0,1]=4 2271 B10R2.7 c:1:c:c:[nH]:c-2:c:c:c:c21 Amb22490477 [1,0,0,1,0,0|2,0,0]=4 2272 B10R2.32 C[n]1ccc2occc12 Amb24079342 [1,0,0,1,0,0|1,0,0]=3 2273 B10R2.32 Cc1c[nH]c2ccc[n]21 Amb25361998 [1,0,0,1,0,0|2,0,0]=4 2274 B10R2.32 Cc1c[s]c2ccc[n]21 Amb24102455 [1,0,0,1,0,0|2,0,0]=4 2275 B10R2.32 Cc1ccc2[s]cc[n]21 Amb24071617 [1,0,0,1,0,0|1,1,0]=4 2276 B10R2.32 O=C1C=CC2=CC=CC21 Amb24646239 [1,0,0,1,0,0|1,0,0]=3 2277 B10R2.32 O=C1C=CC=2CN=CC21 Amb22500361 [1,0,0,1,0,0|2,0,0]=4 2278 B10R2.32 O=C1C=Cc2[n]cc[n]21 Amb22753405 [1,0,0,1,0,0|2,0,0]=4 2279 B10R2.32 O=C1C=Cc2c[n]c[n]21 Amb22753365 [1,0,0,1,0,0|2,0,0]=4 2280 B10R2.32 O=C1C=Cc2c[s]cc21 Amb25297065 [1,0,0,1,0,0|2,0,0]=4 2281 B10R2.32 O=C1CNc2occc21 Amb18832976 [1,0,0,1,0,0|1,0,1]=4 2282 B10R2.2 Cc1cc2[nH]ccc2[s]1 Amb24477767 [0,0,0,1,1,0|1,1,0]=4 2283 B10R2.2 Cc1cc2sccc2s1 Amb17666946 [0,0,0,1,1,0|0,2,0]=4 2284 B10R2.2 O=C1C[n]2cccc2N1 Amb24089146 [0,0,0,1,1,0|2,0,0]=4 2285 B10R2.2 O=C1Cc2c(C1)cc[nH]2 Amb13883726 [0,0,0,1,1,0|1,0,1]=4 2286 B10R2.2 O=C1Cc2cc[s]c2C1 Amb18203007 [0,0,0,1,1,0|0,1,1]=4 2287 B10R2.2 O=C1Cc2cc[s]c2N1 Amb24513841 [0,0,0,1,1,0|1,1,0]=4 2288 B10R2.2 O=C1Cc2ccc[n]2C1 Amb22236118 [0,0,0,1,1,0|1,0,1]=4 2289 B10R2.2 O=C1Cc2ccoc2C1 Amb18203345 [0,0,0,1,1,0|0,0,1]=3 2290 B10R2.31 Brc1ccc2=CC=c2c1 Amb15692435 [0,0,0,1,1,0|1,0,1]=4 2291 B10R2.31 Brc1ccc2c(c1)C=C2 Amb10602639 [0,0,0,1,1,0|1,0,1]=4 2292 B10R2.31 Nc1cc2C=Cc2cc1 Amb22491875 [0,0,0,1,1,0|1,0,1]=4 2293 B10R2.31 Nc1ccc2=CC=c2c1 Amb16233713 [0,0,0,1,1,0|1,0,1]=4 2294 B10R2.31 Nc1ccc2c(c1)C=C2 Amb10602603 [0,0,0,1,1,0|1,0,1]=4 2295 B10R2.31 Oc1cc2C=Cc2cc1 Amb24532893 [0,0,0,1,1,0|0,0,2]=4 2296 B12R2.24 Brc1cc2OC=COc2cc1 Amb25147864 [0,0,0,1,0,1|1,0,1]=4 2297 B12R2.24 Brc1ccc2OCC=Cc2c1 Amb22231978 [0,0,0,1,0,1|1,0,1]=4 2298 B12R2.24 Cc1cc2c[n]ccc2cc1 Amb18349166 [0,0,0,1,0,1|2,0,0]=4 2299 B12R2.24 Cc1cc2cc[n][n]c2cc1 Amb21858505 [0,0,0,1,0,1|2,0,0]=4 2300 B12R2.24 Cc1cc2ccc[n]c2cc1 Amb22235973 [0,0,0,1,0,1|2,0,0]=4 2301 B12R2.24 Cc1ccc2NCC=Cc2c1 Amb18062199 [0,0,0,1,0,1|2,0,0]=4 2302 B12R2.24 Cc1ccc2OCC=Cc2c1 Amb23441455 [0,0,0,1,0,1|1,0,0]=3 2303 B12R2.24 Cc1ccc2[n]cc[n]c2[n]1 Amb22000902 [0,0,0,1,0,1|2,0,0]=4 2304 B12R2.24 Cc1ccc2c(c1)cccn2 Amb10553829 [0,0,0,1,0,1|2,0,0]=4 2305 B12R2.24 Cc1ccc2c(c1)ccnc2 Amb10071945 [0,0,0,1,0,1|2,0,0]=4 2306 B12R2.24 Cc1ccc2c(c1)cncn2 Amb15693132 [0,0,0,1,0,1|2,0,0]=4 2307 B12R2.24 Cc1ccc2c(n1)cccc2 Amb1151967 [0,0,0,1,0,1|2,0,0]=4 2308 B12R2.24 Cc1ccc2c(n1)cccn2 Amb15692772 [0,0,0,1,0,1|2,0,0]=4 2309 B12R2.24 Cc1ccc2c[n]ccc2[n]1 Amb23441223 [0,0,0,1,0,1|2,0,0]=4 2310 B12R2.24 Cc1ccc2cc[n]cc2[n]1 Amb25305156 [0,0,0,1,0,1|2,0,0]=4 2311 B12R2.24 Cc1ccc2ccccc2[n]1 Amb24097096 [0,0,0,1,0,1|2,0,0]=4 2312 B12R2.24 Clc1ccc2OCC=Cc2c1 Amb22586260 [0,0,0,1,0,1|1,0,1]=4 2313 B12R2.24 Fc1ccc2OCC=Cc2c1 Amb25770785 [0,0,0,1,0,1|1,0,1]=4 2314 B12R2.24 Nc1cc2OC=COc2cc1 Amb25808195 [0,0,0,1,0,1|1,0,1]=4 2315 B12R2.24 Nc1ccc2OCC=Cc2c1 Amb23441460 [0,0,0,1,0,1|1,0,1]=4 2316 B12R2.24 O=C1C=CC2=NCC=CC2=C1 Amb24090272 [0,0,0,1,0,1|1,0,1]=4 2317 B12R2.24 O=C1C=Cc2[n]c[n]cc2N1 Amb21811941 [0,0,0,1,0,1|2,0,0]=4 2318 B12R2.24 O=C1C=Cc2[n]cc[n]c2N1 Amb19957771 [0,0,0,1,0,1|2,0,0]=4 2319 B12R2.24 O=C1C=Cc2[n]cccc2N1 Amb21856966 [0,0,0,1,0,1|2,0,0]=4 2320 B12R2.24 O=C1C=Cc2c[n]ccc2N1 Amb21618693 [0,0,0,1,0,1|2,0,0]=4 2321 B12R2.24 O=C1C=Cc2cc[n]cc2N1 Amb22493786 [0,0,0,1,0,1|2,0,0]=4 2322 B12R2.24 O=C1C=Cc2cc[n]cc2O1 Amb24395883 [0,0,0,1,0,1|2,0,0]=4 2323 B12R2.24 O=C1C=Cc2ccc[n]c2N1 Amb22001403 [0,0,0,1,0,1|2,0,0]=4 2324 B12R2.24 O=C1C=Cc2ccccc2N1 Amb18546039 [0,0,0,1,0,1|2,0,0]=4 2325 B12R2.24 O=C1C=Cc2ccccc2O1 Amb18511466 [0,0,0,1,0,1|2,0,0]=4 2326 B12R2.24 O=C1C=Cc2ccccc2S1 Amb20663396 [0,0,0,1,0,1|2,0,0]=4 2327 B12R2.24 O=C1C=Cc2ccccc2[N-]1 Amb21940629 [0,0,0,1,0,1|2,0,0]=4 2328 B12R2.24 O=C1CC2OCCC=C2C=C1 Amb25370762 [0,0,0,1,0,1|0,0,2]=4 2329 B12R2.24 O=C1Cc2ccccc2N=C1 Amb24078566 [0,0,0,1,0,1|2,0,0]=4 2330 B12R2.24 O=c1ccc2c(o1)cccc2 Amb1802468 [0,0,0,1,0,1|2,0,0]=4 2331 B12R2.24 O=c1ccc2c[n]ccc2o1 Amb24100794 [0,0,0,1,0,1|2,0,0]=4 2332 B12R2.24 OC1=CC=C2C=CC=CN2C1 Amb17835334 [0,0,0,1,0,1|1,0,1]=4 2333 B12R2.24 Oc1ccc2OCC=Cc2c1 Amb18124873 [0,0,0,1,0,1|0,0,2]=4 2334 B12R2.24 [13CH3][13c]1[13cH][13cH][13c]2[13c]([13cH]1)[13cH][13cH][13cH][13cH]2 Amb17617622 [0,0,0,1,0,1|2,0,0]=4 2335 B12R2.3190 NC(=O)C1=Cc2ccccc21 Amb25169267 [0,0,0,1,0,1|2,0,0]=4 2336 B12R2.3190 O=C(Cl)C=1C=C2C=CC=CC21 Amb25779648 [0,0,0,1,0,1|2,0,0]=4 2337 B12R2.3190 OC(=O)C1=Cc2c1cccc2 Amb17593654 [0,0,0,1,0,1|2,0,0]=4 2338 B12R2.6 Brc1[n]c(co1)-c2ccco2 Amb24420086 [0,0,0,1,0,1|2,0,0]=4 2339 B12R2.6 Brc1cc([s]c1)-c2ccco2 Amb18143123 [0,0,0,1,0,1|1,0,1]=4 2340 B12R2.6 Brc1cc(c[s]1)-c2ccco2 Amb18159431 [0,0,0,1,0,1|1,0,1]=4 2341 B12R2.6 Brc1cc(co1)-c2ccco2 Amb18172807 [0,0,0,1,0,1|1,0,1]=4 2342 B12R2.6 Brc1ccc([s]1)-c2ccco2 Amb18675170 [0,0,0,1,0,1|1,1,0]=4 2343 B12R2.6 Brc1ccc(o1)-c2ccco2 Amb18141195 [0,0,0,1,0,1|1,0,1]=4 2344 B12R2.6 Brc1cnc(s1)c2ccco2 Amb10600274 [0,0,0,1,0,1|1,1,0]=4 2345 B12R2.6 Brc1csc(n1)c2ccco2 Amb10599946 [0,0,0,1,0,1|2,0,0]=4 2346 B12R2.6 Brc1ncc(s1)c2ccco2 Amb13884329 [0,0,0,1,0,1|1,1,0]=4 2347 B12R2.6 Brc1scc(n1)c2ccco2 Amb13884333 [0,0,0,1,0,1|2,0,0]=4 2348 B12R2.6 Cc1[n][n]c([s]1)-c2ccco2 Amb25272271 [0,0,0,1,0,1|1,1,0]=4 2349 B12R2.6 Cc1[n][n]c(o1)-c2ccco2 Amb24613755 [0,0,0,1,0,1|1,0,1]=4 2350 B12R2.6 Cc1[n]c([n]o1)-c2ccco2 Amb24368022 [0,0,0,1,0,1|2,0,0]=4 2351 B12R2.6 Cc1[n]c(c[s]1)-c2ccc[nH]2 Amb24696521 [0,0,0,1,0,1|2,0,0]=4 2352 B12R2.6 Cc1[n]c(c[s]1)-c2ccco2 Amb22052811 [0,0,0,1,0,1|1,0,0]=3 2353 B12R2.6 Cc1[n]oc([n]1)-c2ccco2 Amb21936791 [0,0,0,1,0,1|2,0,0]=4 2354 B12R2.6 Cc1c[nH]c(c1)-c2ccc[s]2 Amb20621727 [0,0,0,1,0,1|1,1,0]=4 2355 B12R2.6 Cc1c[nH]c(n1)c2ccco2 Amb17232037 [0,0,0,1,0,1|1,0,0]=3 2356 B12R2.6 Cc1c[nH]c(n1)c2cccs2 Amb17232481 [0,0,0,1,0,1|1,1,0]=4 2357 B12R2.6 Cc1c[n]c([s]1)-c2ccc[s]2 Amb24378038 [0,0,0,1,0,1|0,2,0]=4 2358 B12R2.6 Cc1c[n]c([s]1)-c2ccco2 Amb24409889 [0,0,0,1,0,1|0,1,0]=3 2359 B12R2.6 Cc1cc([nH]c1)-c2ccc[nH]2 Amb25764343 [0,0,0,1,0,1|2,0,0]=4 2360 B12R2.6 Cc1cc([n][s]1)-c2ccco2 Amb25343328 [0,0,0,1,0,1|2,0,0]=4 2361 B12R2.6 Cc1cc(c[nH]1)-c2ccco2 Amb25694401 [0,0,0,1,0,1|1,0,0]=3 2362 B12R2.6 Cc1cc(o[n]1)-c2ccco2 Amb24562837 [0,0,0,1,0,1|2,0,0]=4 2363 B12R2.6 Cc1ccc([nH]1)c2ccco2 Amb17232029 [0,0,0,1,0,1|1,0,0]=3 2364 B12R2.6 Cc1ccc([nH]1)c2cccs2 Amb17232434 [0,0,0,1,0,1|1,1,0]=4 2365 B12R2.6 Cc1ccc([s]1)-c2cc[n]o2 Amb25320832 [0,0,0,1,0,1|1,1,0]=4 2366 B12R2.6 Cc1ccc([s]1)-c2ccc[s]2 Amb20670111 [0,0,0,1,0,1|0,2,0]=4 2367 B12R2.6 Cc1csc(n1)c2ccco2 Amb17232537 [0,0,0,1,0,1|1,0,0]=3 2368 B12R2.6 Cc1n[nH]c(c1)c2ccco2 Amb1034169 [0,0,0,1,0,1|2,0,0]=4 2369 B12R2.6 Cc1occ(n1)c2cccs2 Amb17400190 [0,0,0,1,0,1|1,1,0]=4 2370 B12R2.6 Cc1scc(n1)c2cccs2 Amb1103461 [0,0,0,1,0,1|1,1,0]=4 2371 B12R2.6 Clc1[n]c(c[s]1)-c2ccco2 Amb18317596 [0,0,0,1,0,1|2,0,0]=4 2372 B12R2.6 Clc1coc([n]1)-c2ccco2 Amb24549275 [0,0,0,1,0,1|2,0,0]=4 2373 B12R2.6 Nc1[n]c(c[s]1)-c2ccco2 Amb17659100 [0,0,0,1,0,1|2,0,0]=4 2374 B12R2.6 Nc1[n]c(co1)-c2ccco2 Amb18279623 [0,0,0,1,0,1|2,0,0]=4 2375 B12R2.6 Nc1[n]cc(o1)-c2ccco2 Amb23440829 [0,0,0,1,0,1|1,0,1]=4 2376 B12R2.6 Nc1c[nH]c(c1)-c2ccco2 Amb18831397 [0,0,0,1,0,1|1,0,1]=4 2377 B12R2.6 Nc1c[n]c(o1)-c2ccco2 Amb18065312 [0,0,0,1,0,1|1,0,1]=4 2378 B12R2.6 Nc1cc(c[s]1)-c2ccco2 Amb19866681 [0,0,0,1,0,1|1,0,1]=4 2379 B12R2.6 Nc1ccc([s]1)-c2ccco2 Amb18141183 [0,0,0,1,0,1|1,1,0]=4 2380 B12R2.6 Nc1cnc(s1)c2ccco2 Amb10600275 [0,0,0,1,0,1|1,1,0]=4 2381 B12R2.6 Nc1csc(n1)c2ccco2 Amb10599947 [0,0,0,1,0,1|2,0,0]=4 2382 B12R2.6 Nc1ncc(s1)c2ccco2 Amb13884189 [0,0,0,1,0,1|1,1,0]=4 2383 B12R2.6 Nc1scc(n1)c2ccco2 Amb1108572 [0,0,0,1,0,1|2,0,0]=4 2384 B12R2.6 O=C1CC(=NN1)c2ccc[nH]2 Amb25191276 [0,0,0,1,0,1|2,0,0]=4 2385 B12R2.6 O=C1CC(=NN1)c2ccco2 Amb24053123 [0,0,0,1,0,1|1,0,0]=3 2386 B12R2.6 O=C1CC(=NO1)c2ccc[s]2 Amb24720970 [0,0,0,1,0,1|1,1,0]=4 2387 B12R2.6 O=C1CC(=NO1)c2ccco2 Amb24592365 [0,0,0,1,0,1|1,0,0]=3 2388 B12R2.6 O=C1CC(C=C1)c2ccco2 Amb25282746 [0,0,0,1,0,1|0,0,0]=2 2389 B12R2.6 O=C1CCC(=C1)c2ccco2 Amb17138420 [0,0,0,1,0,1|0,0,2]=4 2390 B12R2.6 O=C1CCC(C1)c2ccco2 Amb17138428 [0,0,0,1,0,1|0,0,2]=4 2391 B12R2.6 O=C1CN(C=N1)c2ccc[s]2 Amb24321606 [0,0,0,1,0,1|1,1,0]=4 2392 B12R2.6 O=C1CN=C(N1)c2ccco2 Amb24683578 [0,0,0,1,0,1|1,0,1]=4 2393 B12R2.6 O=C1CNC(=C1)c2ccco2 Amb24453276 [0,0,0,1,0,1|0,0,2]=4 2394 B12R2.6 O=C1CSC(=N1)c2ccco2 Amb24648926 [0,0,0,1,0,1|1,0,1]=4 2395 B12R2.6 O=C1NC(=CS1)c2ccc[s]2 Amb19068218 [0,0,0,1,0,1|1,1,0]=4 2396 B12R2.6 O=C1NC(=CS1)c2ccco2 Amb18185546 [0,0,0,1,0,1|1,0,0]=3 2397 B12R2.6 O=C1NC(=NO1)c2ccco2 Amb18791491 [0,0,0,1,0,1|2,0,0]=4 2398 B12R2.6 O=C1NC=C(O1)c2ccc[s]2 Amb25803522 [0,0,0,1,0,1|1,1,0]=4 2399 B12R2.6 O=C1NCC(C1)c2ccco2 Amb17399916 [0,0,0,1,0,1|0,0,2]=4 2400 B12R2.6 O=C1NN=C(N1)c2ccco2 Amb23442553 [0,0,0,1,0,1|2,0,0]=4 2401 B12R2.6 O=C1NN=C(O1)c2ccco2 Amb19422772 [0,0,0,1,0,1|2,0,0]=4 2402 B12R2.6 O=C1NN=C(S1)c2ccco2 Amb25707610 [0,0,0,1,0,1|2,0,0]=4 2403 B12R2.6 OC1CC(C=C1)c2ccco2 Amb24734965 [0,0,0,1,0,1|0,0,2]=4 2404 B12R2.6 Oc1cnc(s1)c2ccco2 Amb10600276 [0,0,0,1,0,1|1,0,1]=4 2405 B12R2.6 Oc1csc(n1)c2ccco2 Amb10599948 [0,0,0,1,0,1|1,0,1]=4 2406 B12R2.6 Oc1ncc(s1)c2ccco2 Amb13884328 [0,0,0,1,0,1|1,0,1]=4 2407 B12R2.6 Oc1scc(n1)c2ccco2 Amb13884332 [0,0,0,1,0,1|1,0,1]=4 2408 B12R2.6 S=C1NC(=CN1)c2ccco2 Amb24488025 [0,0,0,1,0,1|1,1,0]=4 2409 B12R2.6 Sc1[n]c(c[s]1)-c2ccco2 Amb18635737 [0,0,0,1,0,1|1,1,0]=4 2410 B12R2.136 O=C1CC(Cc2ccco2)N1 Amb25727849 [0,0,0,1,0,1|0,0,2]=4 2411 B12R2.136 O=C1C[C@H](Cc2ccco2)N1 Amb24560953 [0,0,0,1,0,1|0,0,2]=4 2412 B12R2.1354 CC(=O)[C@@H]1C[C@H]1c2ccco2 Amb24741210 [0,0,0,1,0,1|0,0,2]=4 2413 B12R2.1362 CC(=O)[n]1cc[n]2[n]ccc12 Amb24088995 [0,0,0,1,0,1|2,0,0]=4 2414 B12R2.1362 CC(=O)[n]1ccc2occc12 Amb24079340 [0,0,0,1,0,1|0,0,0]=2 2415 B12R2.1362 CC(=O)c1[n]cc2[s]cc[n]21 Amb18199619 [0,0,0,1,0,1|1,1,0]=4 2416 B12R2.1362 CC(=O)c1[s]cc2OCOc12 Amb18198940 [0,0,0,1,0,1|1,0,1]=4 2417 B12R2.1362 CC(=O)c1c[n]c2[s]cc[n]12 Amb18199620 [0,0,0,1,0,1|1,1,0]=4 2418 B12R2.1362 CC(=O)c1c[s]c2cc[s]c21 Amb25032384 [0,0,0,1,0,1|2,0,0]=4 2419 B12R2.1362 CC(=O)c1ccc2C=CC[n]12 Amb25759488 [0,0,0,1,0,1|1,0,1]=4 2420 B12R2.1362 OC(=O)C1C=Cc2ccc[n]21 Amb24062062 [0,0,0,1,0,1|2,0,0]=4 2421 B12R2.1362 OC(=O)c1c[s]c2[s]ccc12 Amb18129244 [0,0,0,1,0,1|1,1,0]=4 2422 B12R2.1362 OC(=O)c1o[n]c2occc12 Amb18201209 [0,0,0,1,0,1|2,0,0]=4 2423 B12R2.33 OCC/1C\C1=C/c2ccco2 Amb25185248 [0,1,0,1,0,0|0,0,2]=4 2424 B12R2.44 BrCc1cc2[n]coc2cc1 Amb23401986 [0,1,0,1,0,0|2,0,0]=4 2425 B12R2.44 BrCc1cc2cc[nH]c2cc1 Amb24452648 [0,1,0,1,0,0|2,0,0]=4 2426 B12R2.44 BrCc1cc2cc[s]c2cc1 Amb23401302 [0,1,0,1,0,0|1,1,0]=4 2427 B12R2.44 BrCc1cc2ccoc2[n]c1 Amb25149005 [0,1,0,1,0,0|2,0,0]=4 2428 B12R2.44 BrCc1cc2ccoc2cc1 Amb23401833 [0,1,0,1,0,0|1,0,0]=3 2429 B12R2.44 C#Cc1cc2ccoc2cc1 Amb24487761 [0,1,0,1,0,0|1,0,1]=4 2430 B12R2.44 CCc1c[n]2cccc2cc1 Amb25224101 [0,1,0,1,0,0|2,0,0]=4 2431 B12R2.44 CCc1cc2cc[s]c2cc1 Amb24727277 [0,1,0,1,0,0|1,1,0]=4 2432 B12R2.44 CCc1cc2ccoc2cc1 Amb25780435 [0,1,0,1,0,0|1,0,0]=3 2433 B12R2.44 CCc1ccc2c(c1)nco2 Amb17304940 [0,1,0,1,0,0|2,0,0]=4 2434 B12R2.44 CNc1cc2cc[nH]c2cc1 Amb18268803 [0,1,0,1,0,0|2,0,0]=4 2435 B12R2.44 CNc1cc2cc[s]c2cc1 Amb18280994 [0,1,0,1,0,0|1,1,0]=4 2436 B12R2.44 COc1c[n]2cccc2cc1 Amb24091741 [0,1,0,1,0,0|2,0,0]=4 2437 B12R2.44 COc1cc2c[n]oc2cc1 Amb22002138 [0,1,0,1,0,0|2,0,0]=4 2438 B12R2.44 COc1ccc2c(c1)C=CC2 Amb2383764 [0,1,0,1,0,0|2,0,0]=4 2439 B12R2.44 COc1ccc2c(c1)cc[nH]2 Amb1158048 [0,1,0,1,0,0|2,0,0]=4 2440 B12R2.44 COc1ccc2c(c1)nco2 Amb17569997 [0,1,0,1,0,0|2,0,0]=4 2441 B12R2.44 CSc1cc2cc[nH]c2cc1 Amb19888367 [0,1,0,1,0,0|2,0,0]=4 2442 B12R2.44 CSc1cc2ccoc2cc1 Amb24070819 [0,1,0,1,0,0|1,0,0]=3 2443 B12R2.44 ClCc1cc2[n]coc2cc1 Amb23401988 [0,1,0,1,0,0|2,0,0]=4 2444 B12R2.44 ClCc1cc2cc[nH]c2cc1 Amb24476204 [0,1,0,1,0,0|2,0,0]=4 2445 B12R2.44 ClCc1cc2cc[s]c2cc1 Amb23401640 [0,1,0,1,0,0|1,1,0]=4 2446 B12R2.44 ClCc1cc2ccoc2cc1 Amb23401834 [0,1,0,1,0,0|1,0,0]=3 2447 B12R2.44 ClCc1ccc2[nH]ccc2[n]1 Amb25132124 [0,1,0,1,0,0|2,0,0]=4 2448 B12R2.44 ClCc1ccc2[s]ccc2[n]1 Amb25841473 [0,1,0,1,0,0|1,1,0]=4 2449 B12R2.44 ICc1cc2cc[s]c2cc1 Amb24091089 [0,1,0,1,0,0|1,1,0]=4 2450 B12R2.44 N#Cc1ccc2occc2[n]1 Amb24081801 [0,1,0,1,0,0|1,0,1]=4 2451 B12R2.44 NCc1[n]c2ccoc2c[n]1 Amb18202179 [0,1,0,1,0,0|2,0,0]=4 2452 B12R2.44 NCc1cc2[n]coc2cc1 Amb18114639 [0,1,0,1,0,0|2,0,0]=4 2453 B12R2.44 NCc1cc2[n]coc2cc1 Amb23399634 [0,1,0,1,0,0|2,0,0]=4 2454 B12R2.44 NCc1cc2cc[nH]c2cc1 Amb20224117 [0,1,0,1,0,0|2,0,0]=4 2455 B12R2.44 NCc1cc2ccoc2[n]c1 Amb25287375 [0,1,0,1,0,0|2,0,0]=4 2456 B12R2.44 NCc1cc2ccoc2c[n]1 Amb18831392 [0,1,0,1,0,0|2,0,0]=4 2457 B12R2.44 NCc1cc2ccoc2cc1 Amb22755776 [0,1,0,1,0,0|1,0,0]=3 2458 B12R2.44 NCc1ccc2CC=Cc2c1 Amb25270629 [0,1,0,1,0,0|2,0,0]=4 2459 B12R2.44 NCc1ccc2[nH]ccc2[n]1 Amb20247990 [0,1,0,1,0,0|2,0,0]=4 2460 B12R2.44 NCc1ccc2[nH]ccc2[n]1 Amb22491855 [0,1,0,1,0,0|2,0,0]=4 2461 B12R2.44 NCc1ccc2c(c1)cc[nH]2 Amb2182703 [0,1,0,1,0,0|2,0,0]=4 2462 B12R2.44 NCc1ccc2c(c1)ccs2 Amb1995214 [0,1,0,1,0,0|1,1,0]=4 2463 B12R2.44 NCc1ccc2c(n1)cc[nH]2 Amb16230511 [0,1,0,1,0,0|2,0,0]=4 2464 B12R2.44 NCc1ccc2occc2[n]1 Amb22737745 [0,1,0,1,0,0|1,0,0]=3 2465 B12R2.44 NNc1cc2ccoc2cc1 Amb18124893 [0,1,0,1,0,0|1,0,1]=4 2466 B12R2.44 O=Cc1cc2C=CCc2cc1 Amb24089076 [0,1,0,1,0,0|1,0,1]=4 2467 B12R2.44 O=Cc1cc2[n]coc2cc1 Amb18831438 [0,1,0,1,0,0|1,0,1]=4 2468 B12R2.44 O=Cc1cc2c[n]oc2cc1 Amb18831430 [0,1,0,1,0,0|1,0,1]=4 2469 B12R2.44 O=Cc1cc2ccoc2[n]c1 Amb18202339 [0,1,0,1,0,0|1,0,1]=4 2470 B12R2.44 O=Cc1cc2ccoc2c[n]1 Amb18831431 [0,1,0,1,0,0|1,0,1]=4 2471 B12R2.44 O=Cc1ccc2[s]ccc2[n]1 Amb18829270 [0,1,0,1,0,0|1,1,0]=4 2472 B12R2.44 O=Cc1ccc2c(c1)cc[nH]2 Amb2182782 [0,1,0,1,0,0|1,0,1]=4 2473 B12R2.44 O=Cc1ccc2c(c1)ccs2 Amb1995220 [0,1,0,1,0,0|0,1,1]=4 2474 B12R2.44 O=Cc1ccc2o[n]cc2[n]1 Amb18202275 [0,1,0,1,0,0|2,0,0]=4 2475 B12R2.44 O=Cc1ccc2occc2[n]1 Amb18202342 [0,1,0,1,0,0|1,0,0]=3 2476 B12R2.44 OCc1cc2[n]coc2cc1 Amb18632905 [0,1,0,1,0,0|2,0,0]=4 2477 B12R2.44 OCc1cc2c[n]oc2cc1 Amb24593237 [0,1,0,1,0,0|2,0,0]=4 2478 B12R2.44 OCc1cc2ccoc2[n]c1 Amb24081781 [0,1,0,1,0,0|2,0,0]=4 2479 B12R2.44 OCc1cc2ccoc2c[n]1 Amb19958437 [0,1,0,1,0,0|2,0,0]=4 2480 B12R2.44 OCc1ccc2[nH]ccc2[n]1 Amb25081177 [0,1,0,1,0,0|2,0,0]=4 2481 B12R2.44 OCc1ccc2c(c1)cc[nH]2 Amb1102608 [0,1,0,1,0,0|2,0,0]=4 2482 B12R2.44 OCc1ccc2c(c1)ccs2 Amb1995227 [0,1,0,1,0,0|1,1,0]=4 2483 B12R2.44 OCc1ccc2oc[n]c2[n]1 Amb25711285 [0,1,0,1,0,0|2,0,0]=4 2484 B12R2.44 SCc1cc2cc[s]c2cc1 Amb24628378 [0,1,0,1,0,0|1,1,0]=4 2485 B12R2.82 CN1C=Cc2[s]ccc2C1=O Amb25113673 [0,1,0,1,0,0|1,1,0]=4 2486 B12R2.82 CN1C=Cc2occc2C1=O Amb25073337 [0,1,0,1,0,0|1,0,0]=3 2487 B12R2.82 CN1c2cc[n][n]2C=CC1=O Amb22753332 [0,1,0,1,0,0|2,0,0]=4 2488 B12R2.82 C[n]1ccc2ccc[n]2c1=O Amb24084886 [0,1,0,1,0,0|2,0,0]=4 2489 B12R2.82 Cc1c(Br)ccc2[nH]ccc21 Amb22898955 [0,1,0,1,0,0|2,0,0]=4 2490 B12R2.82 Cc1c(Br)ccc2oc[n]c21 Amb22737611 [0,1,0,1,0,0|2,0,0]=4 2491 B12R2.82 Cc1c(Cl)ccc2[s]ccc21 Amb25840747 [0,1,0,1,0,0|1,1,0]=4 2492 B12R2.82 Cc1c(Cl)ccc2occc21 Amb25278727 [0,1,0,1,0,0|1,0,0]=3 2493 B12R2.82 Cc1c(F)ccc2[nH]ccc21 Amb24067636 [0,1,0,1,0,0|2,0,0]=4 2494 B12R2.82 Cc1c(F)ccc2[s]ccc21 Amb24547075 [0,1,0,1,0,0|1,1,0]=4 2495 B12R2.82 Cc1c(F)ccc2occc21 Amb24071393 [0,1,0,1,0,0|1,0,0]=3 2496 B12R2.82 Cc1c(N)ccc2[s]ccc21 Amb18670840 [0,1,0,1,0,0|1,1,0]=4 2497 B12R2.82 Cc1c(N)ccc2oc[n]c21 Amb24089334 [0,1,0,1,0,0|2,0,0]=4 2498 B12R2.82 Cc1c(N)ccc2occc21 Amb18138313 [0,1,0,1,0,0|1,0,0]=3 2499 B12R2.82 Cc1c(O)ccc2[nH]ccc21 Amb24067463 [0,1,0,1,0,0|1,0,1]=4 2500 B12R2.82 Cc1c(O)ccc2occc21 Amb25708327 [0,1,0,1,0,0|0,0,1]=3 2501 B12R2.82 Cc1c2ccoc2cc[n+]1[O-] Amb24502036 [0,1,0,1,0,0|1,0,1]=4 2502 B12R2.82 Cc1ccc2[nH]ccc2c1Br Amb22001714 [0,1,0,1,0,0|2,0,0]=4 2503 B12R2.82 Cc1ccc2[nH]ccc2c1C Amb22388453 [0,1,0,1,0,0|2,0,0]=4 2504 B12R2.82 Cc1ccc2[nH]ccc2c1Cl Amb23401990 [0,1,0,1,0,0|2,0,0]=4 2505 B12R2.82 Cc1ccc2[nH]ccc2c1I Amb24067617 [0,1,0,1,0,0|2,0,0]=4 2506 B12R2.82 Cc1ccc2[nH]ccc2c1N Amb24067438 [0,1,0,1,0,0|2,0,0]=4 2507 B12R2.82 Cc1ccc2[nH]ccc2c1O Amb22736811 [0,1,0,1,0,0|1,0,1]=4 2508 B12R2.82 Cc1ccc2[s]ccc2c1C Amb25229652 [0,1,0,1,0,0|1,1,0]=4 2509 B12R2.82 Cc1ccc2[s]ccc2c1N Amb18136747 [0,1,0,1,0,0|1,1,0]=4 2510 B12R2.82 Cc1ccc2[s]ccc2c1O Amb18063861 [0,1,0,1,0,0|0,1,1]=4 2511 B12R2.82 Cc1ccc2c(c1F)cc[nH]2 Amb10841524 [0,1,0,1,0,0|2,0,0]=4 2512 B12R2.82 Cc1ccc2o[n]cc2c1Br Amb24598135 [0,1,0,1,0,0|2,0,0]=4 2513 B12R2.82 Cc1ccc2o[n]cc2c1Cl Amb25711425 [0,1,0,1,0,0|2,0,0]=4 2514 B12R2.82 Cc1ccc2o[n]cc2c1F Amb24486896 [0,1,0,1,0,0|2,0,0]=4 2515 B12R2.82 Cc1ccc2occc2c1N Amb18135829 [0,1,0,1,0,0|1,0,0]=3 2516 B12R2.82 Cc1ccc2occc2c1O Amb24079031 [0,1,0,1,0,0|0,0,1]=3 2517 B12R2.82 Clc1c(Br)ccc2occc21 Amb25132742 [0,1,0,1,0,0|1,0,1]=4 2518 B12R2.82 Fc1c(Br)ccc2occc21 Amb25715865 [0,1,0,1,0,0|1,0,1]=4 2519 B12R2.82 Fc1ccc2occc2c1Br Amb25704177 [0,1,0,1,0,0|1,0,1]=4 2520 B12R2.82 Nc1c(Br)ccc2occc21 Amb18135933 [0,1,0,1,0,0|1,0,1]=4 2521 B12R2.82 Nc1c(Cl)ccc2occc21 Amb18135929 [0,1,0,1,0,0|1,0,1]=4 2522 B12R2.82 Nc1c(F)ccc2occc21 Amb18135925 [0,1,0,1,0,0|1,0,1]=4 2523 B12R2.82 Nc1c(O)ccc2occc21 Amb18202188 [0,1,0,1,0,0|0,0,2]=4 2524 B12R2.82 Nc1ccc2occc2c1Br Amb18137704 [0,1,0,1,0,0|1,0,1]=4 2525 B12R2.82 Nc1ccc2occc2c1F Amb18138051 [0,1,0,1,0,0|1,0,1]=4 2526 B12R2.82 O=C1c2cc[s]c2C=CC1=O Amb25714303 [0,1,0,1,0,0|0,1,1]=4 2527 B12R2.82 OC1C(O)C=Cc2occc21 Amb25097792 [0,1,0,1,0,0|0,0,2]=4 2528 B12R2.82 Oc1ccc2occc2c1Cl Amb24089276 [0,1,0,1,0,0|0,0,2]=4 2529 B12R2.83 Cc:1:c:c:c-2:c:c:c:c2:c:c1 Amb19665337 [0,1,0,1,0,0|2,0,0]=4 2530 B12R2.83 O=C1C=Cc2cc[s]c2C=C1 Amb25151569 [0,1,0,1,0,0|0,1,1]=4 2531 B12R2.83 O=C1C=Cc2ccc[n]2C=C1 Amb25047401 [0,1,0,1,0,0|1,0,1]=4 2532 B12R2.83 OC=1C=Cc2ccc[n]2CC1 Amb24090202 [0,1,0,1,0,0|1,0,1]=4 2533 B12R2.134 C[C@@H]1[C@@H](NC1=O)c2ccco2 Amb25306445 [0,1,0,1,0,0|1,0,1]=4 2534 B12R2.134 NC1C(NC1=O)c2ccco2 Amb18201437 [0,1,0,1,0,0|1,0,1]=4 2535 B12R2.134 N[C@@H]1[C@@H](NC1=O)c2ccco2 Amb24608909 [0,1,0,1,0,0|1,0,1]=4 2536 B12R2.2399 NC1(CC1)\C=C\c2ccco2 Amb22225077 [0,1,0,1,0,0|1,0,1]=4 2537 B12R2.100 Brc1cc2ocnc2cc1C Amb17571384 [0,1,0,1,0,0|2,0,0]=4 2538 B12R2.100 C[n]1cc2occc2cc1=O Amb24091867 [0,1,0,1,0,0|1,0,1]=4 2539 B12R2.100 Cc1cc2[n]coc2cc1N Amb18831394 [0,1,0,1,0,0|2,0,0]=4 2540 B12R2.100 Cc1cc2c[n]oc2cc1Br Amb25097292 [0,1,0,1,0,0|2,0,0]=4 2541 B12R2.100 Cc1cc2c[n]oc2cc1Cl Amb24360632 [0,1,0,1,0,0|2,0,0]=4 2542 B12R2.100 Cc1cc2cc[nH]c2cc1C Amb23412499 [0,1,0,1,0,0|2,0,0]=4 2543 B12R2.100 Cc1cc2cc[nH]c2cc1Cl Amb21857544 [0,1,0,1,0,0|2,0,0]=4 2544 B12R2.100 Cc1cc2cc[nH]c2cc1I Amb21857543 [0,1,0,1,0,0|2,0,0]=4 2545 B12R2.100 Cc1cc2cc[nH]c2cc1O Amb24329435 [0,1,0,1,0,0|2,0,0]=4 2546 B12R2.100 Cc1cc2cc[s]c2cc1Br Amb24486862 [0,1,0,1,0,0|1,1,0]=4 2547 B12R2.100 Cc1cc2cc[s]c2cc1C Amb25782877 [0,1,0,1,0,0|1,1,0]=4 2548 B12R2.100 Cc1cc2cc[s]c2cc1O Amb25370774 [0,1,0,1,0,0|1,1,0]=4 2549 B12R2.100 Cc1cc2ccoc2[n]c1C Amb24070888 [0,1,0,1,0,0|2,0,0]=4 2550 B12R2.100 Cc1cc2ccoc2cc1Cl Amb25281937 [0,1,0,1,0,0|1,0,0]=3 2551 B12R2.100 Cc1cc2ccoc2cc1N Amb25189110 [0,1,0,1,0,0|1,0,0]=3 2552 B12R2.100 Cc1cc2occc2cc1Br Amb21962768 [0,1,0,1,0,0|1,0,1]=4 2553 B12R2.100 Cc1cc2occc2cc1F Amb24071395 [0,1,0,1,0,0|1,0,1]=4 2554 B12R2.100 Cc1cc2occc2cc1N Amb18138345 [0,1,0,1,0,0|1,0,1]=4 2555 B12R2.100 Cc1cc2ocnc2cc1C Amb17569983 [0,1,0,1,0,0|2,0,0]=4 2556 B12R2.100 Clc1cc2ocnc2cc1C Amb17570125 [0,1,0,1,0,0|2,0,0]=4 2557 B12R2.100 Fc1cc2[nH]ccc2cc1C Amb10841580 [0,1,0,1,0,0|2,0,0]=4 2558 B12R2.100 Fc1cc2ccoc2cc1Cl Amb24682378 [0,1,0,1,0,0|1,0,1]=4 2559 B12R2.100 Fc1cc2occc2cc1Br Amb24642772 [0,1,0,1,0,0|1,0,1]=4 2560 B12R2.100 Fc1cc2occc2cc1Cl Amb24435964 [0,1,0,1,0,0|1,0,1]=4 2561 B12R2.100 Nc1[n]c2ccoc2cc1Br Amb24541148 [0,1,0,1,0,0|2,0,0]=4 2562 B12R2.100 Nc1cc2ccoc2cc1F Amb18138055 [0,1,0,1,0,0|1,0,1]=4 2563 B12R2.100 O=C1C=C2C=CNC2=CC1=O Amb24655840 [0,1,0,1,0,0|1,0,1]=4 2564 B12R2.100 OC1=Cc2[s]ccc2NC1=O Amb25756723 [0,1,0,1,0,0|1,1,0]=4 2565 B12R2.100 OC1=Cc2oc[n]c2NC1=O Amb25780189 [0,1,0,1,0,0|2,0,0]=4 2566 B12R2.100 Oc1cc2ccoc2cc1Cl Amb24487015 [0,1,0,1,0,0|0,0,2]=4 2567 B12R2.100 Oc1cc2occc2cc1Br Amb23568419 [0,1,0,1,0,0|1,0,1]=4 2568 B12R2.100 Oc1cc2occc2cc1Cl Amb23568417 [0,1,0,1,0,0|1,0,1]=4 2569 B12R2.252 CC(=O)c1c[n]2CC=Cc2c1 Amb24533072 [0,1,0,1,0,0|1,0,1]=4 2570 B12R2.252 CC(=O)c1c[n]2cc[s]c2c1 Amb25138070 [0,1,0,1,0,0|1,1,0]=4 2571 B12R2.252 CC(=O)c1cc2OCCc2[s]1 Amb18199285 [0,1,0,1,0,0|0,0,2]=4 2572 B12R2.252 CC(=O)c1cc2OCOc2[s]1 Amb18198938 [0,1,0,1,0,0|1,0,1]=4 2573 B12R2.252 CC(=O)c1cc2[nH]ccc2[s]1 Amb18199710 [0,1,0,1,0,0|1,0,0]=3 2574 B12R2.252 CC(=O)c1cc2[nH]ccc2o1 Amb18202190 [0,1,0,1,0,0|1,0,0]=3 2575 B12R2.252 CC(=O)c1cc2[s]c[n]c2[nH]1 Amb18827731 [0,1,0,1,0,0|1,1,0]=4 2576 B12R2.252 CC(=O)c1cc2[s]ccc2[s]1 Amb18823588 [0,1,0,1,0,0|0,1,0]=3 2577 B12R2.252 CC(=O)c1cc2cc[nH]c2[s]1 Amb18199709 [0,1,0,1,0,0|2,0,0]=4 2578 B12R2.252 CC(=O)c1cc2cc[nH]c2o1 Amb18202192 [0,1,0,1,0,0|2,0,0]=4 2579 B12R2.252 CC(=O)c1cc2cc[s]c2[s]1 Amb18823587 [0,1,0,1,0,0|1,1,0]=4 2580 B12R2.252 CC(=O)c1cc2occc2[nH]1 Amb18202193 [0,1,0,1,0,0|0,0,0]=2 2581 B12R2.252 ClC(=O)c1cn2c(n1)cco2 Amb10071446 [0,1,0,1,0,0|2,0,0]=4 2582 B12R2.252 OC(=O)c1cc2[nH]ccc2o1 Amb18201816 [0,1,0,1,0,0|2,0,0]=4 2583 B12R2.252 OC(=O)c1cc2[s]ccc2o1 Amb18143673 [0,1,0,1,0,0|1,1,0]=4 2584 B12R2.252 OC(=O)c1cc2c([nH]1)cco2 Amb2235923 [0,1,0,1,0,0|1,0,0]=3 2585 B12R2.252 OC(=O)c1cc2c([nH]1)ccs2 Amb2235922 [0,1,0,1,0,0|1,1,0]=4 2586 B12R2.252 OC(=O)c1cc2o[n]cc2[s]1 Amb24586586 [0,1,0,1,0,0|2,0,0]=4 2587 B12R2.252 OC(=O)c1cc2oc[n]c2[nH]1 Amb18201500 [0,1,0,1,0,0|2,0,0]=4 2588 B12R2.252 OC(=O)c1cc2occc2[s]1 Amb19374510 [0,1,0,1,0,0|1,0,0]=3 2589 B12R2.252 OC(=O)c1cn2c(n1)cco2 Amb10071427 [0,1,0,1,0,0|2,0,0]=4 2590 B12R2.252 OC(=O)c1sc2c(c1)scc2 Amb2234728 [0,1,0,1,0,0|1,1,0]=4 2591 B12R2.76 Cc1ccc(o1)C2CC(=O)N2 Amb25323038 [0,1,0,1,0,0|1,0,1]=4 2592 B12R2.132 Cc1[n]c2c(I)coc2c[n]1 Amb24405796 [0,1,0,1,0,0|2,0,0]=4 2593 B12R2.132 Cc1c[s]c2C=CC(=O)Nc21 Amb24594766 [0,1,0,1,0,0|1,1,0]=4 2594 B12R2.132 Cc1cc2C(=O)NOc2cc1 Amb21857024 [0,1,0,1,0,0|2,0,0]=4 2595 B12R2.132 Cc1cc2c(Br)c[nH]c2cc1 Amb20242775 [0,1,0,1,0,0|2,0,0]=4 2596 B12R2.132 Cc1cc2c(Br)c[s]c2cc1 Amb18162265 [0,1,0,1,0,0|1,1,0]=4 2597 B12R2.132 Cc1cc2c(Cl)[n]oc2cc1 Amb21857028 [0,1,0,1,0,0|2,0,0]=4 2598 B12R2.132 Cc1cc2c(Cl)c[nH]c2cc1 Amb24759885 [0,1,0,1,0,0|2,0,0]=4 2599 B12R2.132 Cc1cc2c(Cl)c[s]c2cc1 Amb24588114 [0,1,0,1,0,0|1,1,0]=4 2600 B12R2.132 Cc1cc2c(F)c[nH]c2cc1 Amb24548257 [0,1,0,1,0,0|2,0,0]=4 2601 B12R2.132 Cc1cc2c(I)c[nH]c2cc1 Amb22500390 [0,1,0,1,0,0|2,0,0]=4 2602 B12R2.132 Cc1cc2c(N)[n]oc2cc1 Amb21857108 [0,1,0,1,0,0|2,0,0]=4 2603 B12R2.132 Cc1cc2c(N)c[nH]c2cc1 Amb18644283 [0,1,0,1,0,0|2,0,0]=4 2604 B12R2.132 Cc1cc2c(N)c[s]c2cc1 Amb23402527 [0,1,0,1,0,0|1,1,0]=4 2605 B12R2.132 Cc1cc2c(cc1)[nH]cc2C Amb18243496 [0,1,0,1,0,0|2,0,0]=4 2606 B12R2.132 Cc1cc2c(cc1)occ2C Amb23440813 [0,1,0,1,0,0|1,0,0]=3 2607 B12R2.132 Cc1ccc2OCC(=O)c2[n]1 Amb24696860 [0,1,0,1,0,0|1,0,1]=4 2608 B12R2.132 Cc1ccc2[nH]cc(Cl)c2[n]1 Amb24329739 [0,1,0,1,0,0|2,0,0]=4 2609 B12R2.132 Cc1ccc2[nH]cc(F)c2[n]1 Amb24328740 [0,1,0,1,0,0|2,0,0]=4 2610 B12R2.132 Cc1ccc2[nH]cc(N)c2[n]1 Amb24329741 [0,1,0,1,0,0|2,0,0]=4 2611 B12R2.132 Cc1coc2ccc(Cl)cc21 Amb20622396 [0,1,0,1,0,0|1,0,1]=4 2612 B12R2.132 Cc1coc2ccc(F)cc21 Amb20622399 [0,1,0,1,0,0|1,0,1]=4 2613 B12R2.132 Cc1coc2ccc(I)cc21 Amb25363008 [0,1,0,1,0,0|1,0,1]=4 2614 B12R2.132 Cc1coc2ccc(O)cc21 Amb18124872 [0,1,0,1,0,0|0,0,2]=4 2615 B12R2.132 Clc1cc2c(Br)coc2cc1 Amb25742477 [0,1,0,1,0,0|1,0,1]=4 2616 B12R2.132 Clc1ccc2occ(Br)c2[n]1 Amb22755862 [0,1,0,1,0,0|2,0,0]=4 2617 B12R2.132 Clc1coc2ccc(Br)cc21 Amb18159965 [0,1,0,1,0,0|1,0,1]=4 2618 B12R2.132 Nc1cc2c(Cl)coc2cc1 Amb24511713 [0,1,0,1,0,0|1,0,1]=4 2619 B12R2.132 Nc1coc2ccc(O)cc21 Amb18831353 [0,1,0,1,0,0|0,0,2]=4 2620 B12R2.132 Oc1cc2c(Br)coc2cc1 Amb24697483 [0,1,0,1,0,0|0,0,2]=4 2621 B12R2.606 Cc1[n]c2cc(Br)oc2c[n]1 Amb18172161 [0,1,0,1,0,0|2,0,0]=4 2622 B12R2.606 Cc1c[n]2cc(C)cc2cc1 Amb24518888 [0,1,0,1,0,0|2,0,0]=4 2623 B12R2.606 Cc1cc2CC(=O)CCc2o1 Amb24486425 [0,1,0,1,0,0|0,0,2]=4 2624 B12R2.606 Cc1cc2NC(=O)Oc2cc1 Amb18013200 [0,1,0,1,0,0|2,0,0]=4 2625 B12R2.606 Cc1cc2NC(=S)Oc2cc1 Amb18010779 [0,1,0,1,0,0|2,0,0]=4 2626 B12R2.606 Cc1cc2SC(=O)Oc2cc1 Amb25252500 [0,1,0,1,0,0|2,0,0]=4 2627 B12R2.606 Cc1cc2[n]c([SH3])oc2cc1 Amb18046736 [0,1,0,1,0,0|2,0,0]=4 2628 B12R2.606 Cc1cc2cc(Br)ccc2o1 Amb25147883 [0,1,0,1,0,0|1,0,1]=4 2629 B12R2.606 Cc1cc2cc(C)ccc2s1 Amb17939295 [0,1,0,1,0,0|1,1,0]=4 2630 B12R2.606 Cc1cc2cc(Cl)[nH]c2cc1 Amb24701091 [0,1,0,1,0,0|2,0,0]=4 2631 B12R2.606 Cc1cc2cc(F)[s]c2cc1 Amb24519002 [0,1,0,1,0,0|1,1,0]=4 2632 B12R2.606 Cc1cc2cc(F)ccc2o1 Amb24071388 [0,1,0,1,0,0|1,0,1]=4 2633 B12R2.606 Cc1cc2cc(O)ccc2o1 Amb21962993 [0,1,0,1,0,0|0,0,2]=4 2634 B12R2.606 Cc1ccc2OC(=O)Nc2[n]1 Amb22497822 [0,1,0,1,0,0|2,0,0]=4 2635 B12R2.606 Cc1ccc2[nH]c(C)cc2[n]1 Amb24329743 [0,1,0,1,0,0|2,0,0]=4 2636 B12R2.606 Cc1ccc2[nH]c(I)cc2[n]1 Amb24330647 [0,1,0,1,0,0|2,0,0]=4 2637 B12R2.606 Cc1ccc2c(c1)[nH]c(=O)o2 Amb2148994 [0,1,0,1,0,0|2,0,0]=4 2638 B12R2.606 Cc1ccc2c(c1)[nH]c(=S)o2 Amb1150128 [0,1,0,1,0,0|2,0,0]=4 2639 B12R2.606 Cc1ccc2c(c1)nc(o2)Cl Amb10607789 [0,1,0,1,0,0|2,0,0]=4 2640 B12R2.606 Cc1ccc2c(c1)nc(o2)S Amb10244497 [0,1,0,1,0,0|2,0,0]=4 2641 B12R2.606 Cc1ccc2c(n1)nc(o2)S Amb16187014 [0,1,0,1,0,0|2,0,0]=4 2642 B12R2.606 Cc1ccc2oc(N)[n]c2[n]1 Amb25258577 [0,1,0,1,0,0|2,0,0]=4 2643 B12R2.606 Fc1cc2cc(Br)ccc2o1 Amb24556297 [0,1,0,1,0,0|1,0,1]=4 2644 B12R2.606 Ic1ccc2c(c1)cc(o2)C Amb2447107 [0,1,0,1,0,0|1,0,1]=4 2645 B12R2.606 Nc1ccc2c(c1)cc(o2)C Amb1084261 [0,1,0,1,0,0|1,0,1]=4 2646 B12R2.606 O=C1C=C2C=CC(=O)C[C@H]2O1 Amb25151593 [0,1,0,1,0,0|2,0,0]=4 2647 B12R2.606 Oc1cc2cc(Cl)ccc2o1 Amb25163555 [0,1,0,1,0,0|1,0,1]=4 2648 B12R2.246 Brc1cc(N)c2c(c1)cco2 Amb17571387 [0,1,0,1,0,0|1,0,1]=4 2649 B12R2.246 Brc1cc2ccoc2c(Br)c1 Amb22751744 [0,1,0,1,0,0|1,0,1]=4 2650 B12R2.246 Cc1[n]c2ccoc2c(Cl)[n]1 Amb22491568 [0,1,0,1,0,0|2,0,0]=4 2651 B12R2.246 Cc1[n]c2ccoc2c(O)[n]1 Amb24066403 [0,1,0,1,0,0|2,0,0]=4 2652 B12R2.246 Cc1cc(=O)[nH]c2cc[nH]c21 Amb24083426 [0,1,0,1,0,0|2,0,0]=4 2653 B12R2.246 Cc1cc(Br)c2c(c1)cc[nH]2 Amb16206988 [0,1,0,1,0,0|2,0,0]=4 2654 B12R2.246 Cc1cc(Br)c2c(c1)cc[nH]2 Amb16207347 [0,1,0,1,0,0|2,0,0]=4 2655 B12R2.246 Cc1cc(Br)c2c(c1)cco2 Amb10982602 [0,1,0,1,0,0|1,0,0]=3 2656 B12R2.246 Cc1cc(Br)c2c(c1)nco2 Amb17305000 [0,1,0,1,0,0|2,0,0]=4 2657 B12R2.246 Cc1cc(Br)cc2ccoc21 Amb22751742 [0,1,0,1,0,0|1,0,1]=4 2658 B12R2.246 Cc1cc(C)[n]c2cc[nH]c12 Amb24401790 [0,1,0,1,0,0|2,0,0]=4 2659 B12R2.246 Cc1cc(C)c2c(c1)nco2 Amb17569984 [0,1,0,1,0,0|2,0,0]=4 2660 B12R2.246 Cc1cc(Cl)c2[nH]ccc2[n]1 Amb22500346 [0,1,0,1,0,0|2,0,0]=4 2661 B12R2.246 Cc1cc(Cl)c2[s]ccc2[n]1 Amb20670821 [0,1,0,1,0,0|1,1,0]=4 2662 B12R2.246 Cc1cc(Cl)c2o[n]cc2[n]1 Amb25071283 [0,1,0,1,0,0|2,0,0]=4 2663 B12R2.246 Cc1cc(F)cc2ccoc21 Amb25049367 [0,1,0,1,0,0|1,0,1]=4 2664 B12R2.246 Cc1cc(N)c2[nH]ccc2[n]1 Amb24330974 [0,1,0,1,0,0|2,0,0]=4 2665 B12R2.246 Cc1cc(N)c2[s]ccc2[n]1 Amb25198670 [0,1,0,1,0,0|1,1,0]=4 2666 B12R2.246 Cc1cc(N)c2c(c1)cco2 Amb17569991 [0,1,0,1,0,0|1,0,0]=3 2667 B12R2.246 Cc1cc(N)c2c(c1)nco2 Amb17304941 [0,1,0,1,0,0|2,0,0]=4 2668 B12R2.246 Cc1cc(N)cc2ccoc21 Amb24089255 [0,1,0,1,0,0|1,0,1]=4 2669 B12R2.246 Cc1cc2[n]coc2c(F)c1 Amb22739288 [0,1,0,1,0,0|2,0,0]=4 2670 B12R2.246 Cc1cc2c[n]oc2c(C)c1 Amb24662454 [0,1,0,1,0,0|2,0,0]=4 2671 B12R2.246 Cc1cc2c[n]oc2c(F)c1 Amb25260487 [0,1,0,1,0,0|2,0,0]=4 2672 B12R2.246 Cc1cc2c[n]oc2c(O)c1 Amb25718949 [0,1,0,1,0,0|2,0,0]=4 2673 B12R2.246 Cc1cc2cc[nH]c2c(C)c1 Amb18243500 [0,1,0,1,0,0|2,0,0]=4 2674 B12R2.246 Cc1cc2cc[nH]c2c(N)c1 Amb24098202 [0,1,0,1,0,0|2,0,0]=4 2675 B12R2.246 Cc1cc2cc[s]c2c(Br)c1 Amb24074009 [0,1,0,1,0,0|1,1,0]=4 2676 B12R2.246 Cc1cc2cc[s]c2c(F)c1 Amb25693479 [0,1,0,1,0,0|1,1,0]=4 2677 B12R2.246 Cc1cc2ccoc2c(C)[n]1 Amb24070906 [0,1,0,1,0,0|2,0,0]=4 2678 B12R2.246 Cc1cc2ccoc2c(C)c1 Amb24081316 [0,1,0,1,0,0|1,0,0]=3 2679 B12R2.246 Cc1cc2ccoc2c(Cl)[n]1 Amb25169275 [0,1,0,1,0,0|2,0,0]=4 2680 B12R2.246 Cc1cc2ccoc2c(Cl)c1 Amb24526443 [0,1,0,1,0,0|1,0,0]=3 2681 B12R2.246 Cc1cc2ccoc2c(F)c1 Amb24624631 [0,1,0,1,0,0|1,0,0]=3 2682 B12R2.246 Cc1cc2ccoc2c(I)c1 Amb25342142 [0,1,0,1,0,0|1,0,0]=3 2683 B12R2.246 Cc1cc2ccoc2c(O)c1 Amb24576007 [0,1,0,1,0,0|1,0,0]=3 2684 B12R2.246 Clc1cc(Br)cc2ccoc21 Amb24728186 [0,1,0,1,0,0|1,0,1]=4 2685 B12R2.246 Clc1cc(N)c2c(c1)cco2 Amb17570128 [0,1,0,1,0,0|1,0,1]=4 2686 B12R2.246 Clc1cc2ccoc2c(Br)c1 Amb22230133 [0,1,0,1,0,0|1,0,1]=4 2687 B12R2.246 Fc1cc(Br)c2c(c1)cco2 Amb10982601 [0,1,0,1,0,0|1,0,1]=4 2688 B12R2.246 Fc1cc(Br)cc2ccoc21 Amb22751740 [0,1,0,1,0,0|1,0,1]=4 2689 B12R2.246 Fc1cc(N)c2c(c1)cco2 Amb17570006 [0,1,0,1,0,0|1,0,1]=4 2690 B12R2.246 Fc1cc2ccoc2c(Cl)c1 Amb24686782 [0,1,0,1,0,0|1,0,1]=4 2691 B12R2.246 Fc1cc2ccoc2c(F)c1 Amb25341117 [0,1,0,1,0,0|1,0,1]=4 2692 B12R2.246 Nc1cc2ccoc2c(F)c1 Amb25178909 [0,1,0,1,0,0|1,0,1]=4 2693 B12R2.246 Nc1cc2ccoc2c(N)c1 Amb24093766 [0,1,0,1,0,0|1,0,1]=4 2694 B12R2.246 Nc1cc2ccoc2c(O)c1 Amb25351915 [0,1,0,1,0,0|1,0,1]=4 2695 B12R2.246 O=C1C=C(Cl)c2[s]ccc2N1 Amb23560707 [0,1,0,1,0,0|1,1,0]=4 2696 B12R2.246 OC1=CC(=O)N[n]2cccc21 Amb22276928 [0,1,0,1,0,0|2,0,0]=4 2697 B12R2.246 Oc1cc(Cl)cc2ccoc21 Amb25249309 [0,1,0,1,0,0|1,0,1]=4 2698 B12R2.246 Oc1cc(N)c2c(c1)cco2 Amb17569998 [0,1,0,1,0,0|0,0,2]=4 2699 B12R2.246 Oc1cc2ccoc2c(Br)c1 Amb22751745 [0,1,0,1,0,0|0,0,2]=4 2700 B12R2.246 Oc1cc2ccoc2c(Cl)c1 Amb24627338 [0,1,0,1,0,0|0,0,2]=4 2701 B12R2.111 Cc1ccoc1C2CC(=O)N2 Amb25122323 [0,1,0,1,0,0|1,0,1]=4 2702 B12R2.612 Cc1cc2C=CC(=O)c2cc1 Amb24721686 [0,1,0,1,0,0|2,0,0]=4 2703 B12R2.612 Cc1cc2cc[n](N)c2cc1 Amb18202355 [0,1,0,1,0,0|2,0,0]=4 2704 B12R2.612 Cc1ccc2c(c1)C=CC2N Amb17470376 [0,1,0,1,0,0|2,0,0]=4 2705 B12R3.1622 C1C=2OC2C=c3occ[n]31 Amb24066299 [0,0,0,2,0,0|1,0,1]=4 2706 B12R3.278 C1c2ccc3ccc1c3[nH]2 Amb24093567 [0,0,0,2,0,0|2,0,0]=4 2707 B8R0.5 C\C=C\C(C)=CC(C)=O Amb24656126 [0,0,1,0,1,0|1,0,1]=4 2708 B8R0.5 C\C=C\C(\C)=C/C(C)=O Amb25205837 [0,0,1,0,1,0|1,0,1]=4 2709 B8R1.7 C=C(N)c1ccco1 Amb25025940 [0,0,0,0,2,0|1,0,1]=4 2710 B8R1.7 CC(=C)c1c[n]co1 Amb25364289 [0,0,0,0,2,0|2,0,0]=4 2711 B8R1.7 CC(=C)c1ccco1 Amb24532306 [0,0,0,0,2,0|1,0,0]=3 2712 B8R1.7 CC(=N)c1ccc[nH]1 Amb25377507 [0,0,0,0,2,0|2,0,0]=4 2713 B8R1.7 CC(=N)c1ccc[s]1 Amb25223960 [0,0,0,0,2,0|1,1,0]=4 2714 B8R1.7 CC(=O)C1=CCCO1 Amb25759909 [0,0,0,0,2,0|0,0,2]=4 2715 B8R1.7 CC(=O)C1=C[CH-]C=C1 Amb2227554 [0,0,0,0,2,0|1,0,1]=4 2716 B8R1.7 CC(=O)C1C=CC=C1 Amb25358886 [0,0,0,0,2,0|1,0,1]=4 2717 B8R1.7 CC(=O)C1C=CC=N1 Amb24645738 [0,0,0,0,2,0|1,0,1]=4 2718 B8R1.7 CC(=O)C=1C=CCC1 Amb24334264 [0,0,0,0,2,0|1,0,1]=4 2719 B8R1.7 CC(=O)c1[n]c[n]o1 Amb25119390 [0,0,0,0,2,0|2,0,0]=4 2720 B8R1.7 CC(=O)c1[n]cco1 Amb19958429 [0,0,0,0,2,0|1,0,0]=3 2721 B8R1.7 CC(=O)c1c[nH]c[n]1 Amb20241216 [0,0,0,0,2,0|2,0,0]=4 2722 B8R1.7 CC(=O)c1c[n]co1 Amb24737064 [0,0,0,0,2,0|1,0,0]=3 2723 B8R1.7 CC(=O)c1cc[n]o1 Amb20242198 [0,0,0,0,2,0|1,0,0]=3 2724 B8R1.7 CC(=O)c1cc[s][n]1 Amb25044341 [0,0,0,0,2,0|2,0,0]=4 2725 B8R1.7 CC(=O)c1ccc[nH]1 Amb1151321 [0,0,0,0,2,0|1,0,0]=3 2726 B8R1.7 CC(=O)c1ccc[se]1 Amb17673999 [0,0,0,0,2,0|0,1,0]=3 2727 B8R1.7 CC(=O)c1ccns1 Amb13883508 [0,0,0,0,2,0|1,1,0]=4 2728 B8R1.7 CC(=O)c1cco[n]1 Amb20242197 [0,0,0,0,2,0|2,0,0]=4 2729 B8R1.7 CC(=O)c1cnc[nH]1 Amb17593129 [0,0,0,0,2,0|2,0,0]=4 2730 B8R1.7 CC(=O)c1coc[n]1 Amb18833111 [0,0,0,0,2,0|2,0,0]=4 2731 B8R1.7 CC(=O)c1cocc1 Amb2440799 [0,0,0,0,2,0|2,0,0]=4 2732 B8R1.7 CC(=S)c1ccc[nH]1 Amb24481346 [0,0,0,0,2,0|1,1,0]=4 2733 B8R1.7 CC(=S)c1ccco1 Amb25223522 [0,0,0,0,2,0|0,1,0]=3 2734 B8R1.7 CC(C)=C1C=CC=C1 Amb22043296 [0,0,0,0,2,0|2,0,0]=4 2735 B8R1.7 CC(C)c1ccco1 Amb22168231 [0,0,0,0,2,0|1,0,1]=4 2736 B8R1.7 CC(c1ccco1)Cl Amb17138373 [0,0,0,0,2,0|1,0,1]=4 2737 B8R1.7 CC(c1ccco1)N Amb1154062 [0,0,0,0,2,0|1,0,1]=4 2738 B8R1.7 CN(C)c1ccco1 Amb24655902 [0,0,0,0,2,0|2,0,0]=4 2739 B8R1.7 CS(=O)c1ccco1 Amb25208644 [0,0,0,0,2,0|1,0,0]=3 2740 B8R1.7 C[C@@H](c1ccco1)N Amb13952985 [0,0,0,0,2,0|1,0,1]=4 2741 B8R1.7 C[C@H](c1ccco1)N Amb13952986 [0,0,0,0,2,0|1,0,1]=4 2742 B8R1.7 ClC(=O)c1cccs1 Amb1157175 [0,0,0,0,2,0|1,1,0]=4 2743 B8R1.7 NC(=N)c1ccco1 Amb13952844 [0,0,0,0,2,0|2,0,0]=4 2744 B8R1.7 NC(=O)c1[n]cco1 Amb21963562 [0,0,0,0,2,0|2,0,0]=4 2745 B8R1.7 NC(=O)c1c[n]co1 Amb22000976 [0,0,0,0,2,0|2,0,0]=4 2746 B8R1.7 NC(=O)c1ccc[nH]1 Amb10068201 [0,0,0,0,2,0|2,0,0]=4 2747 B8R1.7 NC(=S)c1ccco1 Amb2099744 [0,0,0,0,2,0|1,1,0]=4 2748 B8R1.7 NS(=O)c1ccco1 Amb25216299 [0,0,0,0,2,0|2,0,0]=4 2749 B8R1.7 O=C(Br)c1ccc[nH]1 Amb24465473 [0,0,0,0,2,0|2,0,0]=4 2750 B8R1.7 O=C(Br)c1ccco1 Amb24093659 [0,0,0,0,2,0|1,0,0]=3 2751 B8R1.7 O=C(Cl)c1ccc[nH]1 Amb24090836 [0,0,0,0,2,0|2,0,0]=4 2752 B8R1.7 O=C(F)c1ccco1 Amb25223795 [0,0,0,0,2,0|1,0,0]=3 2753 B8R1.7 OC(=O)C1=CC=CC1 Amb10574923 [0,0,0,0,2,0|2,0,0]=4 2754 B8R1.7 OC(=O)C=1CC=CC1 Amb24553923 [0,0,0,0,2,0|2,0,0]=4 2755 B8R1.7 OC(=O)c1[n]cco1 Amb22899196 [0,0,0,0,2,0|2,0,0]=4 2756 B8R1.7 OC(=O)c1ccc[nH]1 Amb1154382 [0,0,0,0,2,0|2,0,0]=4 2757 B8R1.7 OC(=O)c1ccc[pH]1 Amb24690352 [0,0,0,0,2,0|2,0,0]=4 2758 B8R1.7 OC(=O)c1ccc[s]1 Amb22730855 [0,0,0,0,2,0|1,1,0]=4 2759 B8R1.7 OC(=O)c1ccno1 Amb1152220 [0,0,0,0,2,0|2,0,0]=4 2760 B8R1.7 OC(=O)c1cnco1 Amb1158212 [0,0,0,0,2,0|2,0,0]=4 2761 B8R1.7 OC(=S)c1ccco1 Amb20621386 [0,0,0,0,2,0|1,0,1]=4 2762 B8R1.7 SC(=S)c1ccco1 Amb25024360 [0,0,0,0,2,0|1,1,0]=4 2763 B8R1.7 [O-]C(=O)c1[n]cco1 Amb19889813 [0,0,0,0,2,0|2,0,0]=4 2764 B8R1.7 [O-]C(=O)c1ccco1 Amb22748857 [0,0,0,0,2,0|1,0,0]=3 2765 B8R1.7 [O-]C(=O)c1ccco1 Amb22753185 [0,0,0,0,2,0|1,0,0]=3 2766 B8R1.7 [O-]C(=O)c1cccs1 Amb10067272 [0,0,0,0,2,0|1,1,0]=4 2767 B8R1.7 [O-]C(=O)c1cccs1 Amb10071470 [0,0,0,0,2,0|1,1,0]=4 2768 B8R1.7 [O-][N+](=O)c1ccco1 Amb10573954 [0,0,0,0,2,0|2,0,0]=4 2769 B8R1.35 CC(=O)\C=C/[C@H]1CO1 Amb24662437 [0,0,0,0,2,0|0,0,2]=4 2770 B8R1.35 CC(=O)\C=C\C1CO1 Amb24449027 [0,0,0,0,2,0|0,0,2]=4 2771 B8R1.35 CC(=O)\C=C\[C@H]1CO1 Amb25263639 [0,0,0,0,2,0|0,0,2]=4 2772 B10R1.17 C=C/C=C/c1ccccc1 Amb17938988 [1,0,0,0,0,1|1,0,1]=4 2773 B10R1.17 C=C\C=C/c1cccc[n]1 Amb25697110 [1,0,0,0,0,1|1,0,1]=4 2774 B10R1.17 C=C\C=C\c1cccc[n]1 Amb24101872 [1,0,0,0,0,1|1,0,1]=4 2775 B10R1.17 CC/C=C/c1ccccc1 Amb17673826 [1,0,0,0,0,1|1,0,1]=4 2776 B10R1.17 CCC=Cc1c[n]ccc1 Amb24085334 [1,0,0,0,0,1|1,0,1]=4 2777 B10R1.17 CC\C=C/c1c[n]ccc1 Amb24602371 [1,0,0,0,0,1|1,0,1]=4 2778 B10R1.17 CC\C=C/c1cc[n]cc1 Amb25831273 [1,0,0,0,0,1|1,0,1]=4 2779 B10R1.17 CC\C=C\c1cc[n]cc1 Amb25379243 [1,0,0,0,0,1|1,0,1]=4 2780 B10R1.17 CC\C=C\c1cccc[n]1 Amb22170387 [1,0,0,0,0,1|1,0,1]=4 2781 B10R1.17 CO\C=C/c1c[n]ccc1 Amb24085685 [1,0,0,0,0,1|2,0,0]=4 2782 B10R1.17 CO\C=C/c1cc[n]cc1 Amb24103279 [1,0,0,0,0,1|2,0,0]=4 2783 B10R1.17 CO\C=C/c1cccc[n]1 Amb24106783 [1,0,0,0,0,1|2,0,0]=4 2784 B10R1.17 CO\C=C\c1c[n]ccc1 Amb24085666 [1,0,0,0,0,1|2,0,0]=4 2785 B10R1.17 CO\C=C\c1ccccc1 Amb22002452 [1,0,0,0,0,1|2,0,0]=4 2786 B10R1.17 C\C=C/Oc1cccc[n]1 Amb24101907 [1,0,0,0,0,1|2,0,0]=4 2787 B10R1.17 C\C=C\Oc1cccc[n]1 Amb24101879 [1,0,0,0,0,1|2,0,0]=4 2788 B10R1.17 C\C=C\Oc1ccccc1 Amb10564701 [1,0,0,0,0,1|2,0,0]=4 2789 B10R1.17 C\C=C\Sc1ccccc1 Amb24665698 [1,0,0,0,0,1|2,0,0]=4 2790 B10R1.17 O=C=C\C=C/1\C=CC=CN1 Amb25689817 [1,0,0,0,0,1|1,0,1]=4 2791 B10R1.17 O=C\C=C/c1ccccc1 Amb20246989 [1,0,0,0,0,1|1,0,0]=3 2792 B10R1.17 O=C\C=C\N1CC=CC=C1 Amb25829574 [1,0,0,0,0,1|2,0,0]=4 2793 B10R1.17 O=C\C=C\c1c[n][n]cc1 Amb18642955 [1,0,0,0,0,1|2,0,0]=4 2794 B10R1.17 O=C\C=C\c1c[n]c[n]c1 Amb25130263 [1,0,0,0,0,1|2,0,0]=4 2795 B10R1.17 O=C\C=C\c1cc[n]c[n]1 Amb18642951 [1,0,0,0,0,1|1,0,0]=3 2796 B10R1.17 O=C\C=C\c1cc[n]cc1 Amb24325387 [1,0,0,0,0,1|1,0,0]=3 2797 B10R1.17 O=C\C=C\c1ccc[n][n]1 Amb18642956 [1,0,0,0,0,1|1,0,0]=3 2798 B10R1.17 O=C\C=C\c1ccccn1 Amb17334135 [1,0,0,0,0,1|1,0,0]=3 2799 B10R1.17 O=C\C=C\c1cccnc1 Amb17334136 [1,0,0,0,0,1|1,0,0]=3 2800 B10R1.17 O=C\C=C\c1ccncc1 Amb17334137 [1,0,0,0,0,1|1,0,0]=3 2801 B10R1.17 O=C\C=N\c1ccccc1 Amb24561719 [1,0,0,0,0,1|2,0,0]=4 2802 B12R1.252 CC(=O)C\C=C\c1ccccc1 Amb24740083 [0,0,0,0,0,2|1,0,0]=3 2803 B12R1.252 CC(=O)C\C=N\c1ccccc1 Amb25205414 [0,0,0,0,0,2|1,0,1]=4 2804 B12R1.252 CC(=O)N\C=C\c1ccc[n]c1 Amb24497056 [0,0,0,0,0,2|1,0,0]=3 2805 B12R1.252 CC(=O)O\C=C\c1ccccc1 Amb25829428 [0,0,0,0,0,2|1,0,0]=3 2806 B12R1.252 CC(=O)\C=C/Nc1cccc[n]1 Amb24513633 [0,0,0,0,0,2|1,0,0]=3 2807 B12R1.252 CC(=O)\C=C/Sc1ccccc1 Amb10565265 [0,0,0,0,0,2|1,0,0]=3 2808 B12R1.252 CC(=O)\C=C/Sc1ccccc1 Amb25735703 [0,0,0,0,0,2|1,0,0]=3 2809 B12R1.252 CC(=O)\C=C\Cc1ccccc1 Amb25179518 [0,0,0,0,0,2|1,0,0]=3 2810 B12R1.252 CC(=O)\C=C\N=C1C=CNC=C1 Amb25351670 [0,0,0,0,0,2|1,0,0]=3 2811 B12R1.252 CC(=O)\C=C\Nc1cccc[n]1 Amb22490408 [0,0,0,0,0,2|1,0,0]=3 2812 B12R1.252 CC(=O)\C=C\Nc1ccccc1 Amb22266045 [0,0,0,0,0,2|1,0,0]=3 2813 B12R1.252 CC(=O)\C=C\Sc1ccccc1 Amb25179665 [0,0,0,0,0,2|1,0,0]=3 2814 B12R1.252 CC(=O)\C=N/Nc1ccccc1 Amb11012875 [0,0,0,0,0,2|2,0,0]=4 2815 B12R1.252 CC(=O)\C=N\Nc1ccccc1 Amb2425155 [0,0,0,0,0,2|2,0,0]=4 2816 B12R1.252 CC(=S)\C=C\Nc1ccccc1 Amb25732011 [0,0,0,0,0,2|1,1,0]=4 2817 B12R1.252 CC(C)=C\C=C/c1cccc[n]1 Amb22546609 [0,0,0,0,0,2|2,0,0]=4 2818 B12R1.252 CC(C)=C\C=C\c1ccccc1 Amb22347651 [0,0,0,0,0,2|2,0,0]=4 2819 B12R1.252 CC(N)=N\C=C\c1ccccc1 Amb25273902 [0,0,0,0,0,2|2,0,0]=4 2820 B12R1.252 C\C(\N)=C\C=Nc1ccccc1 Amb25200020 [0,0,0,0,0,2|2,0,0]=4 2821 B12R1.252 NC(=O)C\C=C\c1ccccc1 Amb24470049 [0,0,0,0,0,2|2,0,0]=4 2822 B12R1.252 NC(=O)N\C=C\c1ccccc1 Amb25362141 [0,0,0,0,0,2|2,0,0]=4 2823 B12R1.252 NC(=O)\C=C\Cc1ccccc1 Amb25148586 [0,0,0,0,0,2|2,0,0]=4 2824 B12R1.252 O=C(Cl)C\C=C\c1ccccc1 Amb25269722 [0,0,0,0,0,2|2,0,0]=4 2825 B12R1.252 OC(=O)C=C=Cc1ccccc1 Amb25102534 [0,0,0,0,0,2|2,0,0]=4 2826 B12R1.252 OC(=O)C\C=C\c1cc[n]cc1 Amb24571194 [0,0,0,0,0,2|2,0,0]=4 2827 B12R1.252 OC(=O)C\C=C\c1cccc[n]1 Amb25073201 [0,0,0,0,0,2|2,0,0]=4 2828 B12R1.252 OC(=O)\C=C\Cc1ccc[n]c1 Amb25849857 [0,0,0,0,0,2|2,0,0]=4 2829 B12R1.252 OC(=O)\C=C\Cc1cccc[n]1 Amb25696841 [0,0,0,0,0,2|2,0,0]=4 2830 B12R1.252 OC(=O)\C=C\Nc1ccccc1 Amb25315667 [0,0,0,0,0,2|2,0,0]=4 2831 B12R1.252 OC(=O)\C=C\Nc1ncccn1 Amb2525909 [0,0,0,0,0,2|2,0,0]=4 2832 B12R1.252 OC(=O)\C=C\Oc1ccccc1 Amb18645970 [0,0,0,0,0,2|2,0,0]=4 2833 B12R1.252 OC(=O)\C=C\Sc1[n]ccc[n]1 Amb25249392 [0,0,0,0,0,2|2,0,0]=4 2834 B12R1.252 OC(=O)\C=C\Sc1c[n]cc[n]1 Amb25858372 [0,0,0,0,0,2|2,0,0]=4 2835 B12R1.252 OC(=O)\C=C\Sc1cc[n]c[n]1 Amb25669501 [0,0,0,0,0,2|2,0,0]=4 2836 B12R1.252 OC(=O)\C=C\Sc1cc[n]cc1 Amb25856304 [0,0,0,0,0,2|2,0,0]=4 2837 B12R1.252 OC(=O)\C=C\Sc1ccccc1 Amb1661597 [0,0,0,0,0,2|2,0,0]=4 2838 B12R1.252 [O-]C(=O)/C=C/Sc1ccccc1 Amb17913132 [0,0,0,0,0,2|2,0,0]=4 2839 B12R1.1343 CC(=O)\C=C\C1C=CC=CC=C1 Amb25179614 [0,0,0,0,0,2|1,0,1]=4 2840 B12R1.255 CC(=O)CC\C=C\c1cc[nH]c1 Amb18862593 [0,0,0,0,0,2|2,0,0]=4 2841 B12R1.255 CC(=O)CC\C=C\c1ccc[s]1 Amb18224700 [0,0,0,0,0,2|0,1,0]=3 2842 B12R1.255 CC(=O)\C=C\C=C\c1ccc[s]1 Amb25340969 [0,0,0,0,0,2|0,1,0]=3 2843 B12R1.255 CC(N)\C=C\C=Cc1ccco1 Amb25820346 [0,0,0,0,0,2|1,0,1]=4 2844 B12R1.255 CC(O)\C=C\C=Cc1ccco1 Amb24387773 [0,0,0,0,0,2|0,0,2]=4 2845 B12R1.255 C\C(=C\CNCc1ccco1)\Cl Amb15695726 [0,0,0,0,0,2|1,0,1]=4 2846 B12R1.255 NC(=O)N\N=C\Cc1ccco1 Amb24595746 [0,0,0,0,0,2|1,0,1]=4 2847 B12R1.255 NC(=O)\C=C\C=C\c1ccco1 Amb25112519 [0,0,0,0,0,2|1,0,0]=3 2848 B12R1.255 OC(=O)C=CSCc1ccco1 Amb20667695 [0,0,0,0,0,2|1,0,0]=3 2849 B12R1.255 OC(=O)CC\C=C\c1cccs1 Amb17233930 [0,0,0,0,0,2|1,1,0]=4 2850 B12R1.255 OC(=O)CO\N=C\c1ccco1 Amb1852351 [0,0,0,0,0,2|1,0,1]=4 2851 B12R1.255 OC(=O)\C=C\C=C\c1ccco1 Amb1038977 [0,0,0,0,0,2|1,0,0]=3 2852 B12R1.255 OC(=O)\C=C\C=Cc1ccc[s]1 Amb25156711 [0,0,0,0,0,2|1,1,0]=4 2853 B12R1.255 OC(=O)\C=C\NCc1cc[n]o1 Amb25829053 [0,0,0,0,0,2|2,0,0]=4