0 B11R1.3 B(c1ccc(cc1)C=C)(O)O TS07399 [0,0,0,0,0,0|4,0,0]=4 1 B11R1.3 B(c1ccc(cc1)C=O)(O)O TS85495 [0,0,0,0,0,0|3,0,0]=3 2 B11R1.3 C=Cc1ccc(cc1)C(=O)O TS71307 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.3 C=Cc1ccc(cc1)S(=O)[O-] TS17059 [0,0,0,0,0,0|4,0,0]=4 4 B11R1.3 CC(=C)c1ccc(cc1)C=O TS01820 [0,0,0,0,0,0|0,0,2]=2 5 B11R1.3 CC(=O)c1ccc(cc1)C#C TS40168 [0,0,0,0,0,0|2,0,2]=4 6 B11R1.3 CC(=O)c1ccc(cc1)C#N TS39459 [0,0,0,0,0,0|2,0,2]=4 7 B11R1.3 CC(=O)c1ccc(cc1)C=C TS07232 [0,0,0,0,0,0|2,0,1]=3 8 B11R1.3 CC(=O)c1ccc(cc1)C=O TS07425 [0,0,0,0,0,0|1,0,1]=2 9 B11R1.3 CC(=O)c1ccc(cc1)OC TS40842 [0,0,0,0,0,0|3,0,1]=4 10 B11R1.3 CC(=O)c1ccc(cc1)SC TS70785 [0,0,0,0,0,0|3,0,1]=4 11 B11R1.3 CC(C)c1ccc(cc1)C#C TS01856 [0,0,0,0,0,0|1,0,1]=2 12 B11R1.3 CC(C)c1ccc(cc1)C=C TS07267 [0,0,0,0,0,0|1,0,0]=1 13 B11R1.3 CC(C)c1ccc(cc1)C=O TS09730 [0,0,0,0,0,0|0,0,0]=0 14 B11R1.3 CC(C)c1ccc(cc1)CBr TS44303 [0,0,0,0,0,0|1,0,1]=2 15 B11R1.3 CC(C)c1ccc(cc1)CCl TS12630 [0,0,0,0,0,0|1,0,1]=2 16 B11R1.3 CC(C)c1ccc(cc1)CN TS40775 [0,0,0,0,0,0|1,0,1]=2 17 B11R1.3 CC(C)c1ccc(cc1)CO TS09929 [0,0,0,0,0,0|0,0,2]=2 18 B11R1.3 CC(C)c1ccc(cc1)NN TS09944 [0,0,0,0,0,0|2,0,0]=2 19 B11R1.3 CC(C)c1ccc(cc1)NN TS15742 [0,0,0,0,0,0|2,0,0]=2 20 B11R1.3 CC(C)c1ccc(cc1)OC TS09911 [0,0,0,0,0,0|2,0,0]=2 21 B11R1.3 CC(c1ccc(cc1)OC)O TS10179 [0,0,0,0,0,0|3,0,0]=3 22 B11R1.3 CCc1ccc(cc1)C(=O)C TS40659 [0,0,0,0,0,0|2,0,2]=4 23 B11R1.3 CCc1ccc(cc1)C(C)C TS07509 [0,0,0,0,0,0|1,0,1]=2 24 B11R1.3 CCc1ccc(cc1)[C@@H](C)N TS07597 [0,0,0,0,0,0|2,0,1]=3 25 B11R1.3 CCc1ccc(cc1)[C@H](C)N TS07612 [0,0,0,0,0,0|2,0,1]=3 26 B11R1.3 CN(C)c1cc[n+](cc1)C#N TS56595 [0,0,0,0,0,0|3,0,1]=4 27 B11R1.3 CN(C)c1ccc(cc1)C#C TS07116 [0,0,0,0,0,0|2,0,1]=3 28 B11R1.3 CN(C)c1ccc(cc1)C=O TS70774 [0,0,0,0,0,0|1,0,0]=1 29 B11R1.3 CN(C)c1ccc(cc1)CN TS03078 [0,0,0,0,0,0|2,0,1]=3 30 B11R1.3 CN(C)c1ccc(cc1)CN TS70775 [0,0,0,0,0,0|2,0,1]=3 31 B11R1.3 CN(C)c1ccc(cc1)CO TS41047 [0,0,0,0,0,0|1,0,2]=3 32 B11R1.3 CN(C)c1ccc(cc1)N=O TS09885 [0,0,0,0,0,0|2,0,0]=2 33 B11R1.3 CN(C)c1ccc(cc1)[Mg]Br TS50540 [0,0,0,0,0,0|3,0,0]=3 34 B11R1.3 CN(C)c1ccc(cc1)[N+]#N TS77100 [0,0,0,0,0,0|3,0,0]=3 35 B11R1.3 CN(C)c1ccc(cc1)[N+]#N TS77101 [0,0,0,0,0,0|3,0,0]=3 36 B11R1.3 C[C@@H](c1ccc(cc1)C#N)N TS08105 [0,0,0,0,0,0|2,0,1]=3 37 B11R1.3 C[C@@H](c1ccc(cc1)OC)N TS46626 [0,0,0,0,0,0|3,0,0]=3 38 B11R1.3 C[C@@H](c1ccc(cc1)[N+]#[C-])O TS07344 [0,0,0,0,0,0|3,0,0]=3 39 B11R1.3 C[C@H](c1ccc(cc1)C#N)N TS08058 [0,0,0,0,0,0|2,0,1]=3 40 B11R1.3 C[C@H](c1ccc(cc1)[N+]#[C-])O TS07330 [0,0,0,0,0,0|3,0,0]=3 41 B11R1.3 c1cc(ccc1C=O)C(=N)N TS15395 [0,0,0,0,0,0|2,0,1]=3 42 B11R1.3 c1cc(ccc1C=O)C(=O)O TS33166 [0,0,0,0,0,0|2,0,1]=3 43 B11R1.3 c1cc(ccc1C=O)[N+](=O)[O-] TS09745 [0,0,0,0,0,0|3,0,0]=3 44 B11R1.3 c1cc(ncc1[N+](=O)[O-])C=O TS41079 [0,0,0,0,0,0|4,0,0]=4 45 B10R1.3 C#Cc1ccc(cc1)C=O TS71109 [1,0,0,0,0,0|0,0,2]=3 46 B10R1.3 C=Cc1ccc(cc1)C#N TS05461 [1,0,0,0,0,0|2,0,1]=4 47 B10R1.3 C=Cc1ccc(cc1)C=C TS36514 [1,0,0,0,0,0|1,0,2]=4 48 B10R1.3 C=Cc1ccc(cc1)C=O TS93446 [1,0,0,0,0,0|0,0,2]=3 49 B10R1.3 C=Cc1ccc(cc1)CO TS36844 [1,0,0,0,0,0|2,0,0]=3 50 B10R1.3 C=Cc1ccc(cc1)CO TS69333 [1,0,0,0,0,0|2,0,0]=3 51 B10R1.3 CCc1ccc(cc1)C#C TS59670 [1,0,0,0,0,0|1,0,1]=3 52 B10R1.3 CCc1ccc(cc1)C#N TS05665 [1,0,0,0,0,0|1,0,1]=3 53 B10R1.3 CCc1ccc(cc1)C=C TS36711 [1,0,0,0,0,0|1,0,0]=2 54 B10R1.3 CCc1ccc(cc1)C=O TS36835 [1,0,0,0,0,0|0,0,0]=1 55 B10R1.3 CCc1ccc(cc1)CC TS05932 [1,0,0,0,0,0|1,0,1]=3 56 B10R1.3 CCc1ccc(cc1)CCl TS07791 [1,0,0,0,0,0|1,0,1]=3 57 B10R1.3 CCc1ccc(cc1)CN TS36956 [1,0,0,0,0,0|1,0,1]=3 58 B10R1.3 CCc1ccc(cc1)CO TS06078 [1,0,0,0,0,0|0,0,2]=3 59 B10R1.3 CCc1ccc(cc1)OC TS06096 [1,0,0,0,0,0|2,0,0]=3 60 B10R1.3 CCc1ccc(nc1)C=C TS65158 [1,0,0,0,0,0|2,0,0]=3 61 B10R1.3 CCc1ncc(cn1)C=O TS55317 [1,0,0,0,0,0|2,0,0]=3 62 B10R1.3 CNc1ccc(cc1)C#N TS07763 [1,0,0,0,0,0|2,0,1]=4 63 B10R1.3 CNc1ccc(cc1)OC TS01939 [1,0,0,0,0,0|3,0,0]=4 64 B10R1.3 COc1ccc(cc1)C#C TS03157 [1,0,0,0,0,0|2,0,1]=4 65 B10R1.3 COc1ccc(cc1)C#N TS07812 [1,0,0,0,0,0|2,0,1]=4 66 B10R1.3 COc1ccc(cc1)C=C TS36841 [1,0,0,0,0,0|2,0,0]=3 67 B10R1.3 COc1ccc(cc1)C=O TS36981 [1,0,0,0,0,0|1,0,0]=2 68 B10R1.3 COc1ccc(cc1)CBr TS03143 [1,0,0,0,0,0|2,0,1]=4 69 B10R1.3 COc1ccc(cc1)CCl TS60060 [1,0,0,0,0,0|2,0,1]=4 70 B10R1.3 COc1ccc(cc1)CN TS03142 [1,0,0,0,0,0|2,0,1]=4 71 B10R1.3 COc1ccc(cc1)CS TS03144 [1,0,0,0,0,0|1,1,1]=4 72 B10R1.3 COc1ccc(cc1)C[Zn+] TS50043 [1,0,0,0,0,0|2,0,1]=4 73 B10R1.3 COc1ccc(cc1)NN TS45874 [1,0,0,0,0,0|3,0,0]=4 74 B10R1.3 COc1ccc(cc1)OC TS07887 [1,0,0,0,0,0|3,0,0]=4 75 B10R1.3 COc1ccc(cc1)SC TS41410 [1,0,0,0,0,0|3,0,0]=4 76 B10R1.3 COc1ccc(cc1)[Mg]Br TS44050 [1,0,0,0,0,0|3,0,0]=4 77 B10R1.3 COc1ccc(cc1)[N+]#N TS50040 [1,0,0,0,0,0|3,0,0]=4 78 B10R1.3 COc1ccc(cc1)[N+]#[C-] TS36751 [1,0,0,0,0,0|3,0,0]=4 79 B10R1.3 COc1ccc(cn1)C=O TS55618 [1,0,0,0,0,0|2,0,0]=3 80 B10R1.3 COc1ccc(nc1)C=O TS87371 [1,0,0,0,0,0|2,0,0]=3 81 B10R1.3 COc1ncc(cn1)C=O TS55436 [1,0,0,0,0,0|3,0,0]=4 82 B10R1.3 CSc1ccc(cc1)C#N TS40765 [1,0,0,0,0,0|2,0,1]=4 83 B10R1.3 CSc1ccc(cc1)C=O TS71245 [1,0,0,0,0,0|1,0,0]=2 84 B10R1.3 CSc1ccc(cc1)CCl TS13280 [1,0,0,0,0,0|2,0,1]=4 85 B10R1.3 CSc1ccc(cc1)CO TS41407 [1,0,0,0,0,0|1,0,2]=4 86 B10R1.3 CSc1ccc(cc1)NN TS46693 [1,0,0,0,0,0|3,0,0]=4 87 B10R1.3 CSc1ccc(cc1)[Mg]Br TS24404 [1,0,0,0,0,0|3,0,0]=4 88 B10R1.3 CSc1ccc(cc1)[Mg]Cl TS15085 [1,0,0,0,0,0|3,0,0]=4 89 B10R1.3 CSc1ncc(cn1)C=O TS00520 [1,0,0,0,0,0|3,0,0]=4 90 B10R1.3 c1cc(ccc1C=O)C#N TS03056 [1,0,0,0,0,0|1,0,1]=3 91 B10R1.3 c1cc(ccc1C=O)C=O TS36801 [1,0,0,0,0,0|1,0,1]=3 92 B10R1.3 c1cc(ccc1CBr)C#N TS03060 [1,0,0,0,0,0|2,0,1]=4 93 B10R1.3 c1cc(ccc1CBr)C=O TS08637 [1,0,0,0,0,0|1,0,0]=2 94 B10R1.3 c1cc(ccc1CBr)CBr TS39926 [1,0,0,0,0,0|2,0,1]=4 95 B10R1.3 c1cc(ccc1CCl)C#N TS33158 [1,0,0,0,0,0|2,0,1]=4 96 B10R1.3 c1cc(ccc1CCl)CCl TS13622 [1,0,0,0,0,0|2,0,1]=4 97 B10R1.3 c1cc(ccc1CN)C#N TS03059 [1,0,0,0,0,0|2,0,1]=4 98 B10R1.3 c1cc(ccc1CN)C#N TS16889 [1,0,0,0,0,0|2,0,1]=4 99 B10R1.3 c1cc(ccc1CN)CO TS03000 [1,0,0,0,0,0|1,0,2]=4 100 B10R1.3 c1cc(ccc1CN)CO TS45704 [1,0,0,0,0,0|1,0,2]=4 101 B10R1.3 c1cc(ccc1CO)C#N TS01797 [1,0,0,0,0,0|2,0,1]=4 102 B10R1.3 c1cc(ccc1CO)CBr TS16757 [1,0,0,0,0,0|1,0,2]=4 103 B10R1.3 c1cc(ccc1CO)CO TS06244 [1,0,0,0,0,0|1,0,2]=4 104 B10R1.3 c1cc(ccc1CS)CS TS12899 [1,0,0,0,0,0|1,1,1]=4 105 B10R1.3 c1cc(ccc1C[Zn+])C#N TS68531 [1,0,0,0,0,0|2,0,1]=4 106 B10R1.13 CC(=C)c1ccc(cc1)Cl TS41219 [1,0,0,0,0,0|1,0,2]=4 107 B10R1.13 CC(=C)c1ccc(cc1)F TS36996 [1,0,0,0,0,0|1,0,2]=4 108 B10R1.13 CC(=O)c1ccc(cc1)Cl TS71057 [1,0,0,0,0,0|2,0,1]=4 109 B10R1.13 CC(=O)c1ccc(cc1)F TS93776 [1,0,0,0,0,0|2,0,1]=4 110 B10R1.13 CC(=O)c1ccc(cc1)I TS71192 [1,0,0,0,0,0|2,0,1]=4 111 B10R1.13 CC(=O)c1ccc(cc1)N TS39574 [1,0,0,0,0,0|2,0,1]=4 112 B10R1.13 CC(=O)c1ccc(cc1)N TS45381 [1,0,0,0,0,0|2,0,1]=4 113 B10R1.13 CC(=O)c1ccn(=O)cc1 TS06168 [1,0,0,0,0,0|2,0,1]=4 114 B10R1.13 CC(C)c1ccc(cc1)Br TS00030 [1,0,0,0,0,0|1,0,0]=2 115 B10R1.13 CC(C)c1ccc(cc1)F TS06283 [1,0,0,0,0,0|1,0,0]=2 116 B10R1.13 CC(C)c1ccc(cc1)I TS27405 [1,0,0,0,0,0|1,0,0]=2 117 B10R1.13 CC(C)c1ccc(cc1)N TS39757 [1,0,0,0,0,0|1,0,0]=2 118 B10R1.13 CC(C)c1ccc(cc1)O TS06072 [1,0,0,0,0,0|0,0,1]=2 119 B10R1.13 CC(C)c1ccc(cc1)S TS41192 [1,0,0,0,0,0|0,1,0]=2 120 B10R1.13 CC(C)c1ccc(cn1)N TS88530 [1,0,0,0,0,0|2,0,0]=3 121 B10R1.13 CC(C)c1ccc(cn1)O TS06186 [1,0,0,0,0,0|1,0,1]=3 122 B10R1.13 CC(C)c1cnc(nc1)N TS71578 [1,0,0,0,0,0|3,0,0]=4 123 B10R1.13 CC(C)c1ncc(cn1)Br TS88647 [1,0,0,0,0,0|3,0,0]=4 124 B10R1.13 CC(c1ccc(cc1)Cl)N TS10633 [1,0,0,0,0,0|2,0,0]=3 125 B10R1.13 CC(c1ccc(cc1)Cl)O TS10801 [1,0,0,0,0,0|2,0,0]=3 126 B10R1.13 CC(c1ccc(cc1)F)O TS46723 [1,0,0,0,0,0|2,0,0]=3 127 B10R1.13 CC(c1ccc(cc1)N)O TS37111 [1,0,0,0,0,0|2,0,0]=3 128 B10R1.13 CC(c1ccc(cc1)O)O TS06269 [1,0,0,0,0,0|1,0,1]=3 129 B10R1.13 CC(c1ccc(cn1)F)N TS89780 [1,0,0,0,0,0|3,0,0]=4 130 B10R1.13 CC1=CCC(C=C1)C(C)C TS37056 [1,0,0,0,0,0|0,0,3]=4 131 B10R1.13 CC1=CC[C@@H](C=C1)C(C)C TS37050 [1,0,0,0,0,0|0,0,3]=4 132 B10R1.13 CN(C)c1ccc(cc1)Br TS39551 [1,0,0,0,0,0|2,0,0]=3 133 B10R1.13 CN(C)c1ccc(cc1)F TS37295 [1,0,0,0,0,0|2,0,0]=3 134 B10R1.13 CN(C)c1ccc(cc1)I TS27558 [1,0,0,0,0,0|2,0,0]=3 135 B10R1.13 CN(C)c1ccc(cc1)N TS24168 [1,0,0,0,0,0|2,0,0]=3 136 B10R1.13 CN(C)c1ccc(cc1)N TS37038 [1,0,0,0,0,0|2,0,0]=3 137 B10R1.13 CN(C)c1ccc(cc1)S TS10342 [1,0,0,0,0,0|1,1,0]=3 138 B10R1.13 CN(C)c1ccc(cn1)N TS43731 [1,0,0,0,0,0|3,0,0]=4 139 B10R1.13 CN(C)c1ccc(cn1)N TS90829 [1,0,0,0,0,0|3,0,0]=4 140 B10R1.13 CS(=O)c1ccc(cc1)Br TS49559 [1,0,0,0,0,0|3,0,0]=4 141 B10R1.13 CS(=O)c1ccc(cc1)Cl TS45877 [1,0,0,0,0,0|3,0,0]=4 142 B10R1.13 CS(=O)c1ccc(cc1)O TS10695 [1,0,0,0,0,0|2,0,1]=4 143 B10R1.13 C[C@@H](c1ccc(cc1)Br)N TS08104 [1,0,0,0,0,0|2,0,0]=3 144 B10R1.13 C[C@@H](c1ccc(cc1)Br)O TS38046 [1,0,0,0,0,0|2,0,0]=3 145 B10R1.13 C[C@@H](c1ccc(cc1)Cl)N TS41561 [1,0,0,0,0,0|2,0,0]=3 146 B10R1.13 C[C@@H](c1ccc(cc1)Cl)O TS41711 [1,0,0,0,0,0|2,0,0]=3 147 B10R1.13 C[C@@H](c1ccc(cc1)F)N TS39575 [1,0,0,0,0,0|2,0,0]=3 148 B10R1.13 C[C@@H](c1ccc(cc1)F)O TS06456 [1,0,0,0,0,0|2,0,0]=3 149 B10R1.13 C[C@@H](c1ccc(cc1)N)N TS20700 [1,0,0,0,0,0|2,0,0]=3 150 B10R1.13 C[C@H](c1ccc(cc1)Br)O TS38043 [1,0,0,0,0,0|2,0,0]=3 151 B10R1.13 C[C@H](c1ccc(cc1)Cl)N TS10630 [1,0,0,0,0,0|2,0,0]=3 152 B10R1.13 C[C@H](c1ccc(cc1)Cl)O TS41729 [1,0,0,0,0,0|2,0,0]=3 153 B10R1.13 C[C@H](c1ccc(cc1)F)O TS06452 [1,0,0,0,0,0|2,0,0]=3 154 B10R1.13 C[C@H](c1ccc(cc1)N)N TS20699 [1,0,0,0,0,0|2,0,0]=3 155 B10R1.13 Cc1ccc(cc1)C(=C)C TS36715 [1,0,0,0,0,0|0,0,3]=4 156 B10R1.13 Cc1ccc(cc1)C(=O)C TS03169 [1,0,0,0,0,0|1,0,2]=4 157 B10R1.13 Cc1ccc(cc1)C(C)C TS36855 [1,0,0,0,0,0|0,0,1]=2 158 B10R1.13 Cc1ccc(cc1)C(C)C TS84159 [1,0,0,0,0,0|0,0,1]=2 159 B10R1.13 Cc1ccc(cc1)C(C)N TS46732 [1,0,0,0,0,0|1,0,1]=3 160 B10R1.13 Cc1ccc(cc1)C(C)O TS37018 [1,0,0,0,0,0|1,0,1]=3 161 B10R1.13 Cc1ccc(cc1)C(Cl)Cl TS13626 [1,0,0,0,0,0|2,0,1]=4 162 B10R1.13 Cc1ccc(cc1)N(C)C TS34593 [1,0,0,0,0,0|1,0,1]=3 163 B10R1.13 Cc1ccc(cc1)S(=O)C TS10470 [1,0,0,0,0,0|2,0,1]=4 164 B10R1.13 Cc1ccc(cc1)S(=O)C TS10472 [1,0,0,0,0,0|2,0,1]=4 165 B10R1.13 Cc1ccc(cc1)[C@@H](C)N TS00309 [1,0,0,0,0,0|1,0,1]=3 166 B10R1.13 Cc1ccc(cc1)[C@@H](C)N TS06017 [1,0,0,0,0,0|1,0,1]=3 167 B10R1.13 Cc1ccc(cc1)[C@H](C)N TS08092 [1,0,0,0,0,0|1,0,1]=3 168 B10R1.13 Cc1ccc(nc1)C(C)N TS37026 [1,0,0,0,0,0|2,0,1]=4 169 B10R1.13 c1cc(ccc1C(Cl)Cl)Cl TS52070 [1,0,0,0,0,0|3,0,0]=4 170 B10R1.13 c1cc(ccc1C(Cl)Cl)F TS47663 [1,0,0,0,0,0|3,0,0]=4 171 B10R1.13 c1cc(ccc1C(F)F)Br TS00409 [1,0,0,0,0,0|3,0,0]=4 172 B12R1.5 COC(=O)c1ccc(cc1)C=C TS42431 [0,1,0,0,0,0|2,0,1]=4 173 B12R1.5 COC(=O)c1ccc(cc1)C=O TS93418 [0,1,0,0,0,0|1,0,1]=3 174 B12R1.5 COc1ccc(cc1)C(CN)O TS38509 [0,1,0,0,0,0|3,0,0]=4 175 B12R1.5 COc1ccc(cc1)[C@H](CCl)O TS49006 [0,1,0,0,0,0|3,0,0]=4 176 B12R1.6 CC(C)(C)c1ccc(cc1)C#C TS41951 [0,1,0,0,0,0|1,0,1]=3 177 B12R1.6 CC(C)(C)c1ccc(cc1)C#N TS42074 [0,1,0,0,0,0|1,0,1]=3 178 B12R1.6 CC(C)(C)c1ccc(cc1)C=C TS42217 [0,1,0,0,0,0|1,0,0]=2 179 B12R1.6 CC(C)(C)c1ccc(cc1)C=O TS33175 [0,1,0,0,0,0|0,0,0]=1 180 B12R1.6 CC(C)(C)c1ccc(cc1)CBr TS03195 [0,1,0,0,0,0|1,0,1]=3 181 B12R1.6 CC(C)(C)c1ccc(cc1)CCl TS39516 [0,1,0,0,0,0|1,0,1]=3 182 B12R1.6 CC(C)(C)c1ccc(cc1)CN TS16917 [0,1,0,0,0,0|1,0,1]=3 183 B12R1.6 CC(C)(C)c1ccc(cc1)CO TS32977 [0,1,0,0,0,0|0,0,2]=3 184 B12R1.6 CC(C)(C)c1ccc(cc1)CS TS47975 [0,1,0,0,0,0|0,1,1]=3 185 B12R1.6 CC(C)(C)c1ccc(cc1)NN TS19130 [0,1,0,0,0,0|2,0,0]=3 186 B12R1.6 CC(C)(C)c1ccc(cc1)[Mg]Br TS26094 [0,1,0,0,0,0|2,0,0]=3 187 B12R1.6 CCc1ccc(cc1)C(C)(C)C TS11627 [0,1,0,0,0,0|1,0,1]=3 188 B12R1.6 COc1ccc(cc1)[Si](C)(C)C TS47976 [0,1,0,0,0,0|2,1,0]=4 189 B12R1.6 CS(=O)(=O)c1ccc(cc1)C=O TS39759 [0,1,0,0,0,0|2,0,0]=3 190 B12R1.6 C[Si](C)(C)c1ccc(cc1)CS TS18339 [0,1,0,0,0,0|0,2,1]=4 191 B12R1.6 c1cc(ccc1C=O)S(=O)(=O)Cl TS19873 [0,1,0,0,0,0|3,0,0]=4 192 B12R1.6 c1cc(ccc1C=O)S(=O)(=O)N TS15444 [0,1,0,0,0,0|3,0,0]=4 193 B12R1.6 c1cc(ncc1C(F)(F)F)C=O TS45909 [0,1,0,0,0,0|3,0,0]=4 194 B12R1.6 c1cc(ncc1C=O)C(F)(F)F TS47101 [0,1,0,0,0,0|3,0,0]=4 195 B12R1.48 B(c1ccc(c(c1)F)C=O)(O)O TS16366 [0,1,0,0,0,0|3,0,0]=4 196 B12R1.48 CC(c1ccc(c(c1)F)OC)N TS45010 [0,1,0,0,0,0|3,0,0]=4 197 B12R1.48 CN(C)c1ccc(c(c1)Cl)C=O TS48494 [0,1,0,0,0,0|1,0,0]=2 198 B12R1.48 CN(C)c1ccc(c(c1)O)C=O TS42903 [0,1,0,0,0,0|1,0,0]=2 199 B12R1.48 CN(C)c1ccc(c(c1)O)N=O TS38358 [0,1,0,0,0,0|2,0,0]=3 200 B12R1.48 C[C@@H](c1ccc(c(c1)F)OC)N TS45009 [0,1,0,0,0,0|3,0,0]=4 201 B12R1.48 Cc1cc(ccc1C=O)N(C)C TS42599 [0,1,0,0,0,0|1,0,0]=2 202 B12R1.48 c1cc(c(cc1C(=O)O)O)C=O TS12141 [0,1,0,0,0,0|2,0,1]=4 203 B12R1.48 c1cc(c(cc1[N+](=O)[O-])F)C=O TS55346 [0,1,0,0,0,0|3,0,0]=4 204 B12R1.48 c1cc(c(cc1[N+](=O)[O-])O)C=O TS02007 [0,1,0,0,0,0|3,0,0]=4 205 B12R1.113 CC(=O)c1ccc(cc1)N=C=O TS11375 [0,1,0,0,0,0|1,0,2]=4 206 B12R1.113 CC(C)c1ccc(cc1)CC#N TS42076 [0,1,0,0,0,0|1,0,1]=3 207 B12R1.113 CC(C)c1ccc(cc1)CC=O TS11592 [0,1,0,0,0,0|0,0,0]=1 208 B12R1.113 CC(C)c1ccc(cc1)N=C=O TS09733 [0,1,0,0,0,0|0,0,1]=2 209 B12R1.113 CC(C)c1ccc(cc1)N=C=S TS14089 [0,1,0,0,0,0|0,1,1]=3 210 B12R1.113 CCOc1ccc(cc1)[C@@H](C)N TS42940 [0,1,0,0,0,0|2,0,1]=4 211 B12R1.113 CN(C)c1ccc(cc1)CCN TS11939 [0,1,0,0,0,0|2,0,1]=4 212 B12R1.113 CN(C)c1ccc(cc1)N=C=O TS42460 [0,1,0,0,0,0|1,0,1]=3 213 B12R1.113 CN(C)c1ccc(cc1)N=C=S TS14268 [0,1,0,0,0,0|1,1,1]=4 214 B12R1.113 CN(C)c1ccc(cc1)SC#N TS14266 [0,1,0,0,0,0|2,0,1]=4 215 B12R1.113 c1cc(ccc1CC=O)[N+](=O)[O-] TS46551 [0,1,0,0,0,0|3,0,0]=4 216 B12R1.113 c1cc(ccc1[N+](=O)[O-])OC=O TS12348 [0,1,0,0,0,0|3,0,0]=4 217 B12R1.256 B(c1ccc(cc1)C(=O)Cl)(O)O TS07653 [0,1,0,0,0,0|3,0,0]=4 218 B12R1.256 B(c1ccc(cc1)C(=O)N)(O)O TS94588 [0,1,0,0,0,0|3,0,0]=4 219 B12R1.256 B(c1ccc(cc1)C(=O)O)(O)O TS93282 [0,1,0,0,0,0|3,0,0]=4 220 B12R1.256 B(c1ccc(cc1)C(C)C)(O)O TS09732 [0,1,0,0,0,0|1,0,1]=3 221 B12R1.256 CC(=C)c1ccc(cc1)C(=C)C TS41961 [0,1,0,0,0,0|1,0,2]=4 222 B12R1.256 CC(=O)c1ccc(cc1)C(=O)C TS42446 [0,1,0,0,0,0|1,0,1]=3 223 B12R1.256 CC(=O)c1ccc(cc1)C(=O)O TS02948 [0,1,0,0,0,0|1,0,1]=3 224 B12R1.256 CC(=O)c1ccc(cc1)N(C)C TS33161 [0,1,0,0,0,0|1,0,0]=2 225 B12R1.256 CC(=O)c1ccc(cc1)[N+](=O)[O-] TS11992 [0,1,0,0,0,0|2,0,1]=4 226 B12R1.256 CC(C)c1ccc(cc1)C(=O)C TS39755 [0,1,0,0,0,0|0,0,0]=1 227 B12R1.256 CC(C)c1ccc(cc1)C(=O)O TS39756 [0,1,0,0,0,0|0,0,0]=1 228 B12R1.256 CC(C)c1ccc(cc1)C(C)C TS11626 [0,1,0,0,0,0|1,0,1]=3 229 B12R1.256 CC(C)c1ccc(cc1)[N+](=O)[O-] TS12015 [0,1,0,0,0,0|1,0,0]=2 230 B12R1.256 CC(C)c1ccc(cn1)[N+](=O)[O-] TS86344 [0,1,0,0,0,0|2,0,0]=3 231 B12R1.256 CC(c1ccc(cc1)C(=O)O)Br TS52782 [0,1,0,0,0,0|1,0,0]=2 232 B12R1.256 CC(c1ccc(cc1)[N+](=O)[O-])O TS43217 [0,1,0,0,0,0|2,0,0]=3 233 B12R1.256 CN(C)c1ccc(cc1)C(=N)N TS37815 [0,1,0,0,0,0|2,0,0]=3 234 B12R1.256 CN(C)c1ccc(cc1)C(=O)Cl TS22700 [0,1,0,0,0,0|1,0,0]=2 235 B12R1.256 CN(C)c1ccc(cc1)C(=O)Cl TS48491 [0,1,0,0,0,0|1,0,0]=2 236 B12R1.256 CN(C)c1ccc(cc1)N(=O)=O TS12230 [0,1,0,0,0,0|2,0,0]=3 237 B12R1.256 CN(C)c1ccc(cc1)N(C)C TS08610 [0,1,0,0,0,0|3,0,0]=4 238 B12R1.256 CN(C)c1ccc(cc1)N(C)C TS11934 [0,1,0,0,0,0|3,0,0]=4 239 B12R1.256 CS(=O)c1ccc(cc1)C(=O)O TS15277 [0,1,0,0,0,0|2,0,0]=3 240 B12R1.256 C[C@@H](c1ccc(cc1)C(C)C)N TS42631 [0,1,0,0,0,0|1,0,1]=3 241 B12R1.256 C[C@@H](c1ccc(cc1)N(C)C)N TS11938 [0,1,0,0,0,0|2,0,1]=4 242 B12R1.256 C[C@@H](c1ccc(cc1)[N+](=O)[O-])N TS94518 [0,1,0,0,0,0|2,0,0]=3 243 B12R1.256 C[C@H](c1ccc(cc1)C(C)C)N TS11760 [0,1,0,0,0,0|1,0,1]=3 244 B12R1.256 C[C@H](c1ccc(cc1)N(C)C)N TS11932 [0,1,0,0,0,0|2,0,1]=4 245 B12R1.256 C[C@H](c1ccc(cc1)[N+](=O)[O-])N TS08915 [0,1,0,0,0,0|2,0,0]=3 246 B12R1.256 C[C@H](c1ccc(cc1)[N+](=O)[O-])N TS22967 [0,1,0,0,0,0|2,0,0]=3 247 B12R1.256 C[SiH](C)c1ccc(cc1)[SiH](C)C TS17953 [0,1,0,0,0,0|1,2,0]=4 248 B12R1.256 c1cc(ccc1C(=N)N)C(=O)N TS18895 [0,1,0,0,0,0|2,0,1]=4 249 B12R1.256 c1cc(ccc1C(=N)N)C(=O)O TS19119 [0,1,0,0,0,0|2,0,1]=4 250 B12R1.256 c1cc(ccc1C(=N)N)C(=O)O TS42708 [0,1,0,0,0,0|2,0,1]=4 251 B12R1.256 c1cc(ccc1C(=O)Cl)C(=O)Cl TS38369 [0,1,0,0,0,0|2,0,1]=4 252 B12R1.256 c1cc(ccc1C(=O)Cl)[N+](=O)[O-] TS15502 [0,1,0,0,0,0|3,0,0]=4 253 B12R1.256 c1cc(ccc1C(=O)N)C(=O)N TS11833 [0,1,0,0,0,0|2,0,1]=4 254 B12R1.256 c1cc(ccc1C(=O)N)C(=O)O TS11995 [0,1,0,0,0,0|2,0,1]=4 255 B12R1.256 c1cc(ccc1C(=O)N)[N+](=O)[O-] TS33170 [0,1,0,0,0,0|3,0,0]=4 256 B12R1.256 c1cc(ccc1C(=O)O)C(=O)O TS16700 [0,1,0,0,0,0|2,0,1]=4 257 B12R1.256 c1cc(ccc1C(=O)O)[N+](=O)[O-] TS25699 [0,1,0,0,0,0|3,0,0]=4 258 B12R1.256 c1cc(ccc1C(=O)O)[N+](=O)[O-] TS60157 [0,1,0,0,0,0|3,0,0]=4 259 B12R1.256 c1cc(ccc1C(=O)S)C(=O)S TS54050 [0,1,0,0,0,0|2,0,1]=4 260 B12R1.256 c1cc(ccc1C(=O)[O-])C(=O)[O-] TS20847 [0,1,0,0,0,0|2,0,1]=4 261 B12R1.256 c1cc(ccc1C(=O)[O-])C(=O)[O-] TS46357 [0,1,0,0,0,0|2,0,1]=4 262 B12R1.256 c1cc(ccc1C(=O)[O-])C(=O)[O-] TS50655 [0,1,0,0,0,0|2,0,1]=4 263 B12R1.256 c1cc(ccc1C(=O)[O-])[N+](=O)[O-] TS19955 [0,1,0,0,0,0|3,0,0]=4 264 B12R1.256 c1cc(ccc1C(=O)[O-])[N+](=O)[O-] TS50862 [0,1,0,0,0,0|3,0,0]=4 265 B12R1.452 CC(C)c1ccc(cc1F)OC TS86089 [0,1,0,0,0,0|2,0,0]=3 266 B12R1.452 Cc1cc(ccc1[N+](=O)[O-])C=O TS60020 [0,1,0,0,0,0|3,0,0]=4 267 B12R1.452 c1cc(c(cc1C=O)Br)[N+](=O)[O-] TS09461 [0,1,0,0,0,0|3,0,0]=4 268 B12R1.452 c1cc(c(cc1C=O)F)[N+](=O)[O-] TS44976 [0,1,0,0,0,0|3,0,0]=4 269 B12R1.452 c1cc(c(cc1C=O)O)[N+](=O)[O-] TS65088 [0,1,0,0,0,0|3,0,0]=4 270 B12R2.9 COc1ccc(cc1)[C@@H]2CO2 TS40847 [0,0,0,1,0,0|3,0,0]=4 271 B12R2.9 c1cc(ccc1CBr)C2CC2 TS43953 [0,0,0,1,0,0|1,0,1]=3 272 B10R1.31 CC(=O)c1ccc(s1)C=O TS41389 [0,0,0,0,1,0|2,0,1]=4 273 B10R1.31 CC(C)c1nc(cs1)C=O TS10590 [0,0,0,0,1,0|2,0,0]=3 274 B10R1.31 CC(C)n1cc(cn1)C=O TS06279 [0,0,0,0,1,0|2,0,0]=3 275 B10R1.31 CN(C)c1ccc(o1)C=O TS06369 [0,0,0,0,1,0|2,0,0]=3 276 B10R1.31 CN(C)c1ccc(s1)C=O TS10594 [0,0,0,0,1,0|2,0,0]=3 277 B10R1.31 CN(C)c1ncc(s1)C=O TS10703 [0,0,0,0,1,0|3,0,0]=4 278 B12R1.4 CC(=O)Nc1ccc(cc1)C=C TS42323 [0,0,0,0,0,1|2,0,1]=4 279 B12R1.4 CC(=O)Nc1ccc(cc1)C=O TS02941 [0,0,0,0,0,1|1,0,1]=3 280 B12R1.4 CC(=O)Oc1ccc(cc1)C=C TS33212 [0,0,0,0,0,1|2,0,1]=4 281 B12R1.4 CC(=O)Oc1ccc(cc1)C=O TS02943 [0,0,0,0,0,1|1,0,1]=3 282 B12R1.4 CC(C)Cc1ccc(cc1)C=O TS09724 [0,0,0,0,0,1|0,0,0]=1 283 B12R1.4 CC(C)Nc1ccc(cc1)OC TS12073 [0,0,0,0,0,1|2,0,0]=3 284 B12R1.4 CC(C)Oc1ccc(cc1)C=O TS09726 [0,0,0,0,0,1|0,0,0]=1 285 B12R1.4 CC(C)Oc1ccc(cc1)NN TS19493 [0,0,0,0,0,1|2,0,0]=3 286 B12R1.4 CC(C)Oc1ccc(cn1)C#N TS11554 [0,0,0,0,0,1|2,0,1]=4 287 B12R1.4 CC(C)Oc1ccc(cn1)C=O TS39351 [0,0,0,0,0,1|1,0,0]=2 288 B12R1.4 CC(C)Oc1ccc(cn1)CO TS43237 [0,0,0,0,0,1|1,0,2]=4 289 B12R1.4 CC(Cc1ccc(cc1)OC)N TS42953 [0,0,0,0,0,1|3,0,0]=4 290 B12R1.4 C[C@H](Cc1ccc(cc1)OC)N TS12061 [0,0,0,0,0,1|3,0,0]=4 291 B12R1.4 c1cc(ccc1C=O)OC(F)F TS03076 [0,0,0,0,0,1|2,0,0]=3 292 B9R1.1 C=Cc1ccc(cc1)Br TS48376 [2,0,0,0,0,0|2,0,0]=4 293 B9R1.1 C=Cc1ccc(cc1)Cl TS37254 [2,0,0,0,0,0|2,0,0]=4 294 B9R1.1 C=Cc1ccc(cc1)F TS32505 [2,0,0,0,0,0|2,0,0]=4 295 B9R1.1 C=Cc1ccc(cc1)N TS04791 [2,0,0,0,0,0|2,0,0]=4 296 B9R1.1 C=Cc1ccc(cc1)O TS71308 [2,0,0,0,0,0|2,0,0]=4 297 B9R1.1 CCc1ccc(cc1)Br TS01944 [2,0,0,0,0,0|1,0,0]=3 298 B9R1.1 CCc1ccc(cc1)Cl TS37449 [2,0,0,0,0,0|1,0,0]=3 299 B9R1.1 CCc1ccc(cc1)F TS05030 [2,0,0,0,0,0|1,0,0]=3 300 B9R1.1 CCc1ccc(cc1)I TS25158 [2,0,0,0,0,0|1,0,0]=3 301 B9R1.1 CCc1ccc(cc1)N TS04870 [2,0,0,0,0,0|1,0,0]=3 302 B9R1.1 CCc1ccc(cc1)O TS04905 [2,0,0,0,0,0|0,0,1]=3 303 B9R1.1 CCc1ccc(cc1)S TS06298 [2,0,0,0,0,0|0,1,0]=3 304 B9R1.1 CCc1ccc(cc1)[Zn+] TS55970 [2,0,0,0,0,0|1,0,0]=3 305 B9R1.1 CCc1ccc(nc1)C TS32477 [2,0,0,0,0,0|1,0,1]=4 306 B9R1.1 CCc1ccc(nc1)O TS04959 [2,0,0,0,0,0|1,0,1]=4 307 B9R1.1 CNc1ccc(cc1)Br TS48830 [2,0,0,0,0,0|2,0,0]=4 308 B9R1.1 CNc1ccc(cc1)Cl TS37534 [2,0,0,0,0,0|2,0,0]=4 309 B9R1.1 CNc1ccc(cc1)F TS36055 [2,0,0,0,0,0|2,0,0]=4 310 B9R1.1 CNc1ccc(cc1)I TS32640 [2,0,0,0,0,0|2,0,0]=4 311 B9R1.1 CNc1ccc(cc1)N TS04921 [2,0,0,0,0,0|2,0,0]=4 312 B9R1.1 CNc1ccc(cc1)N TS17998 [2,0,0,0,0,0|2,0,0]=4 313 B9R1.1 CNc1ccc(cc1)O TS04963 [2,0,0,0,0,0|1,0,1]=4 314 B9R1.1 CNc1ccc(cc1)O TS78698 [2,0,0,0,0,0|1,0,1]=4 315 B9R1.1 COc1ccc(cc1)Cl TS37682 [2,0,0,0,0,0|2,0,0]=4 316 B9R1.1 COc1ccc(cc1)F TS32969 [2,0,0,0,0,0|2,0,0]=4 317 B9R1.1 COc1ccc(cc1)I TS59516 [2,0,0,0,0,0|2,0,0]=4 318 B9R1.1 COc1ccc(cc1)N TS01634 [2,0,0,0,0,0|2,0,0]=4 319 B9R1.1 COc1ccc(cc1)N TS11193 [2,0,0,0,0,0|2,0,0]=4 320 B9R1.1 COc1ccc(cc1)N TS93025 [2,0,0,0,0,0|2,0,0]=4 321 B9R1.1 COc1ccc(cc1)O TS02083 [2,0,0,0,0,0|1,0,1]=4 322 B9R1.1 COc1ccc(cc1)S TS06486 [2,0,0,0,0,0|1,1,0]=4 323 B9R1.1 COc1ccc(cc1)[Zn+] TS74539 [2,0,0,0,0,0|2,0,0]=4 324 B9R1.1 COc1ccn(=O)cc1 TS71219 [2,0,0,0,0,0|2,0,0]=4 325 B9R1.1 CSc1ccc(cc1)Br TS09618 [2,0,0,0,0,0|2,0,0]=4 326 B9R1.1 CSc1ccc(cc1)Cl TS42001 [2,0,0,0,0,0|2,0,0]=4 327 B9R1.1 CSc1ccc(cc1)F TS06687 [2,0,0,0,0,0|2,0,0]=4 328 B9R1.1 CSc1ccc(cc1)I TS27986 [2,0,0,0,0,0|2,0,0]=4 329 B9R1.1 CSc1ccc(cc1)N TS06394 [2,0,0,0,0,0|2,0,0]=4 330 B9R1.1 CSc1ccc(cc1)O TS37396 [2,0,0,0,0,0|1,0,1]=4 331 B9R1.1 CSc1ccc(cc1)S TS41710 [2,0,0,0,0,0|1,1,0]=4 332 B9R1.1 CSc1ccc(cc1)[Zn+] TS76796 [2,0,0,0,0,0|2,0,0]=4 333 B9R1.1 Cc1ccc(cc1)C#C TS32874 [2,0,0,0,0,0|1,0,1]=4 334 B9R1.1 Cc1ccc(cc1)C#N TS04679 [2,0,0,0,0,0|1,0,1]=4 335 B9R1.1 Cc1ccc(cc1)C=C TS71237 [2,0,0,0,0,0|1,0,0]=3 336 B9R1.1 Cc1ccc(cc1)C=O TS09079 [2,0,0,0,0,0|0,0,0]=2 337 B9R1.1 Cc1ccc(cc1)CBr TS03170 [2,0,0,0,0,0|1,0,1]=4 338 B9R1.1 Cc1ccc(cc1)CCl TS37455 [2,0,0,0,0,0|1,0,1]=4 339 B9R1.1 Cc1ccc(cc1)CN TS32473 [2,0,0,0,0,0|1,0,1]=4 340 B9R1.1 Cc1ccc(cc1)CO TS04902 [2,0,0,0,0,0|0,0,2]=4 341 B9R1.1 Cc1ccc(cc1)CS TS06300 [2,0,0,0,0,0|0,1,1]=4 342 B9R1.1 Cc1ccc(cc1)NC TS32470 [2,0,0,0,0,0|1,0,1]=4 343 B9R1.1 Cc1ccc(cc1)NN TS01655 [2,0,0,0,0,0|2,0,0]=4 344 B9R1.1 Cc1ccc(cc1)NN TS23082 [2,0,0,0,0,0|2,0,0]=4 345 B9R1.1 Cc1ccc(cc1)OC TS04894 [2,0,0,0,0,0|1,0,1]=4 346 B9R1.1 Cc1ccc(cc1)SC TS71244 [2,0,0,0,0,0|1,0,1]=4 347 B9R1.1 Cc1ccc(cc1)[Hg]Cl TS77673 [2,0,0,0,0,0|2,0,0]=4 348 B9R1.1 Cc1ccc(cc1)[Mg]Cl TS40955 [2,0,0,0,0,0|2,0,0]=4 349 B9R1.1 Cc1ccc(cn1)C=C TS55464 [2,0,0,0,0,0|2,0,0]=4 350 B9R1.1 Cc1ccc(cn1)C=O TS01266 [2,0,0,0,0,0|1,0,0]=3 351 B9R1.1 Cc1ccc(nc1)C=O TS01160 [2,0,0,0,0,0|1,0,0]=3 352 B9R1.1 Cc1cnc(cn1)C=O TS88939 [2,0,0,0,0,0|2,0,0]=4 353 B9R1.1 Cc1cnc(nc1)C=O TS90871 [2,0,0,0,0,0|2,0,0]=4 354 B9R1.1 Cc1ncc(cn1)C=O TS08763 [2,0,0,0,0,0|2,0,0]=4 355 B9R1.1 c1cc(=O)[nH]cc1CN TS71378 [2,0,0,0,0,0|2,0,0]=4 356 B9R1.1 c1cc(=O)[nH]cc1CO TS03336 [2,0,0,0,0,0|2,0,0]=4 357 B9R1.1 c1cc(ccc1C=O)Br TS09589 [2,0,0,0,0,0|1,0,0]=3 358 B9R1.1 c1cc(ccc1C=O)Cl TS37446 [2,0,0,0,0,0|1,0,0]=3 359 B9R1.1 c1cc(ccc1C=O)Cl TS93024 [2,0,0,0,0,0|1,0,0]=3 360 B9R1.1 c1cc(ccc1C=O)F TS03079 [2,0,0,0,0,0|1,0,0]=3 361 B9R1.1 c1cc(ccc1C=O)I TS71194 [2,0,0,0,0,0|1,0,0]=3 362 B9R1.1 c1cc(ccc1C=O)N TS08868 [2,0,0,0,0,0|1,0,0]=3 363 B9R1.1 c1cc(ccc1C=O)O TS01630 [2,0,0,0,0,0|1,0,0]=3 364 B9R1.1 c1cc(ccc1C=O)O TS42180 [2,0,0,0,0,0|1,0,0]=3 365 B9R1.1 c1cc(ccc1CBr)Br TS09598 [2,0,0,0,0,0|2,0,0]=4 366 B9R1.1 c1cc(ccc1CBr)Cl TS46748 [2,0,0,0,0,0|2,0,0]=4 367 B9R1.1 c1cc(ccc1CBr)F TS03088 [2,0,0,0,0,0|2,0,0]=4 368 B9R1.1 c1cc(ccc1CBr)I TS09718 [2,0,0,0,0,0|2,0,0]=4 369 B9R1.1 c1cc(ccc1CBr)O TS16899 [2,0,0,0,0,0|1,0,1]=4 370 B9R1.1 c1cc(ccc1CCl)Br TS16774 [2,0,0,0,0,0|2,0,0]=4 371 B9R1.1 c1cc(ccc1CCl)Cl TS39591 [2,0,0,0,0,0|2,0,0]=4 372 B9R1.1 c1cc(ccc1CCl)F TS07044 [2,0,0,0,0,0|2,0,0]=4 373 B9R1.1 c1cc(ccc1CN)Br TS09597 [2,0,0,0,0,0|2,0,0]=4 374 B9R1.1 c1cc(ccc1CN)Br TS60052 [2,0,0,0,0,0|2,0,0]=4 375 B9R1.1 c1cc(ccc1CN)Cl TS33154 [2,0,0,0,0,0|2,0,0]=4 376 B9R1.1 c1cc(ccc1CN)Cl TS71062 [2,0,0,0,0,0|2,0,0]=4 377 B9R1.1 c1cc(ccc1CN)F TS03087 [2,0,0,0,0,0|2,0,0]=4 378 B9R1.1 c1cc(ccc1CN)F TS42359 [2,0,0,0,0,0|2,0,0]=4 379 B9R1.1 c1cc(ccc1CN)I TS07803 [2,0,0,0,0,0|2,0,0]=4 380 B9R1.1 c1cc(ccc1CN)I TS73917 [2,0,0,0,0,0|2,0,0]=4 381 B9R1.1 c1cc(ccc1CN)N TS32510 [2,0,0,0,0,0|2,0,0]=4 382 B9R1.1 c1cc(ccc1CN)O TS38524 [2,0,0,0,0,0|1,0,1]=4 383 B9R1.1 c1cc(ccc1CN)O TS71170 [2,0,0,0,0,0|1,0,1]=4 384 B9R1.1 c1cc(ccc1CO)Br TS16773 [2,0,0,0,0,0|2,0,0]=4 385 B9R1.1 c1cc(ccc1CO)Cl TS37684 [2,0,0,0,0,0|2,0,0]=4 386 B9R1.1 c1cc(ccc1CO)F TS36109 [2,0,0,0,0,0|2,0,0]=4 387 B9R1.1 c1cc(ccc1CO)I TS02234 [2,0,0,0,0,0|2,0,0]=4 388 B9R1.1 c1cc(ccc1CO)N TS70914 [2,0,0,0,0,0|2,0,0]=4 389 B9R1.1 c1cc(ccc1CO)O TS46479 [2,0,0,0,0,0|1,0,1]=4 390 B9R1.1 c1cc(ccc1CO)S TS37388 [2,0,0,0,0,0|1,1,0]=4 391 B9R1.1 c1cc(ccc1CS)Br TS19522 [2,0,0,0,0,0|2,0,0]=4 392 B9R1.1 c1cc(ccc1CS)Cl TS42005 [2,0,0,0,0,0|2,0,0]=4 393 B9R1.1 c1cc(ccc1CS)F TS06684 [2,0,0,0,0,0|2,0,0]=4 394 B9R1.1 c1cc(ccc1C[Zn+])Br TS76764 [2,0,0,0,0,0|2,0,0]=4 395 B9R1.1 c1cc(ccc1N=O)O TS32551 [2,0,0,0,0,0|2,0,0]=4 396 B9R1.1 c1cc(ncc1Br)C=O TS71427 [2,0,0,0,0,0|2,0,0]=4 397 B9R1.1 c1cc(ncc1C=O)Br TS16478 [2,0,0,0,0,0|2,0,0]=4 398 B9R1.1 c1cc(ncc1C=O)Cl TS85443 [2,0,0,0,0,0|2,0,0]=4 399 B9R1.1 c1cc(ncc1C=O)F TS01040 [2,0,0,0,0,0|2,0,0]=4 400 B9R1.1 c1cc(ncc1C=O)N TS87752 [2,0,0,0,0,0|2,0,0]=4 401 B9R1.1 c1cc(ncc1C=O)O TS55611 [2,0,0,0,0,0|2,0,0]=4 402 B9R1.1 c1cc(ncc1Cl)C=O TS71489 [2,0,0,0,0,0|2,0,0]=4 403 B9R1.1 c1cc(ncc1F)C=O TS60090 [2,0,0,0,0,0|2,0,0]=4 404 B9R1.1 c1cc(ncc1O)C=O TS03343 [2,0,0,0,0,0|2,0,0]=4 405 B9R1.1 c1cn(=O)ccc1C=O TS32549 [2,0,0,0,0,0|2,0,0]=4 406 B9R1.1 c1cn(=O)ccc1CO TS59701 [2,0,0,0,0,0|2,0,0]=4 407 B9R1.6 CC(=C)c1ccccc1 TS32349 [2,0,0,0,0,0|0,0,2]=4 408 B9R1.6 CC(=O)c1ccccc1 TS32455 [2,0,0,0,0,0|1,0,1]=4 409 B9R1.6 CC(=O)c1ccccc1 TS32456 [2,0,0,0,0,0|1,0,1]=4 410 B9R1.6 CC(=O)c1ccccc1 TS38236 [2,0,0,0,0,0|1,0,1]=4 411 B9R1.6 CC(=O)c1ccccc1 TS55713 [2,0,0,0,0,0|1,0,1]=4 412 B9R1.6 CC(C)c1ccccn1 TS32479 [2,0,0,0,0,0|1,0,0]=3 413 B9R1.6 CC(C)c1ccccn1 TS49188 [2,0,0,0,0,0|1,0,0]=3 414 B9R1.6 CC(C)c1ccncc1 TS09132 [2,0,0,0,0,0|1,0,0]=3 415 B9R1.6 CC(C)c1cnccn1 TS04911 [2,0,0,0,0,0|2,0,0]=4 416 B9R1.6 CC(c1ccccc1)Cl TS37453 [2,0,0,0,0,0|1,0,0]=3 417 B9R1.6 CC(c1ccccc1)N TS55879 [2,0,0,0,0,0|1,0,0]=3 418 B9R1.6 CC(c1ccccc1)O TS04908 [2,0,0,0,0,0|1,0,0]=3 419 B9R1.6 CC(c1ccccn1)N TS47025 [2,0,0,0,0,0|2,0,0]=4 420 B9R1.6 CC(c1ccccn1)N TS59503 [2,0,0,0,0,0|2,0,0]=4 421 B9R1.6 CC(c1ccccn1)O TS08930 [2,0,0,0,0,0|2,0,0]=4 422 B9R1.6 CC(c1cccnc1)N TS59573 [2,0,0,0,0,0|2,0,0]=4 423 B9R1.6 CC(c1ccncc1)N TS51965 [2,0,0,0,0,0|2,0,0]=4 424 B9R1.6 CC(c1ccncc1)N TS59574 [2,0,0,0,0,0|2,0,0]=4 425 B9R1.6 CN(C)c1cc[nH+]cc1 TS29274 [2,0,0,0,0,0|2,0,0]=4 426 B9R1.6 CN(C)c1ccccc1 TS56353 [2,0,0,0,0,0|1,0,0]=3 427 B9R1.6 CN(C)c1ccccn1 TS04916 [2,0,0,0,0,0|2,0,0]=4 428 B9R1.6 CN(C)c1cccnc1 TS32521 [2,0,0,0,0,0|2,0,0]=4 429 B9R1.6 CN(C)c1ccncc1 TS71094 [2,0,0,0,0,0|2,0,0]=4 430 B9R1.6 CN(C)c1ccncc1 TS79663 [2,0,0,0,0,0|2,0,0]=4 431 B9R1.6 CN(C)c1ccncc1 TS93097 [2,0,0,0,0,0|2,0,0]=4 432 B9R1.6 CN(c1ccccc1)N TS46980 [2,0,0,0,0,0|2,0,0]=4 433 B9R1.6 CP(C)c1ccccc1 TS37178 [2,0,0,0,0,0|1,0,0]=3 434 B9R1.6 CP(C)c1ccccc1 TS75399 [2,0,0,0,0,0|1,0,0]=3 435 B9R1.6 C[C@@H](c1ccccc1)N TS93610 [2,0,0,0,0,0|1,0,0]=3 436 B9R1.6 C[C@@H](c1ccccc1)O TS04904 [2,0,0,0,0,0|1,0,0]=3 437 B9R1.6 C[C@@H](c1ccccn1)O TS04971 [2,0,0,0,0,0|2,0,0]=4 438 B9R1.6 C[C@@H](c1cccnc1)O TS04970 [2,0,0,0,0,0|2,0,0]=4 439 B9R1.6 C[C@@H](c1ccncc1)O TS32559 [2,0,0,0,0,0|2,0,0]=4 440 B9R1.6 C[C@H](c1ccccc1)N TS00310 [2,0,0,0,0,0|1,0,0]=3 441 B9R1.6 C[C@H](c1ccccc1)N TS29339 [2,0,0,0,0,0|1,0,0]=3 442 B9R1.6 C[C@H](c1ccccc1)O TS04906 [2,0,0,0,0,0|1,0,0]=3 443 B9R1.6 C[C@H](c1ccccn1)O TS04976 [2,0,0,0,0,0|2,0,0]=4 444 B9R1.6 C[C@H](c1cccnc1)O TS04956 [2,0,0,0,0,0|2,0,0]=4 445 B9R1.6 C[C@H](c1ccncc1)O TS39982 [2,0,0,0,0,0|2,0,0]=4 446 B9R1.6 C[SiH](C)c1ccccc1 TS37063 [2,0,0,0,0,0|0,1,0]=3 447 B9R1.6 c1ccc(cc1)C(Br)Br TS27976 [2,0,0,0,0,0|2,0,0]=4 448 B9R1.6 c1ccc(cc1)C(F)Cl TS40273 [2,0,0,0,0,0|2,0,0]=4 449 B11R1.83 CC=Cc1ccc(cc1)OC TS40661 [1,1,0,0,0,0|2,0,0]=4 450 B11R1.83 CCCc1ccc(cc1)C#C TS08750 [1,1,0,0,0,0|1,0,1]=4 451 B11R1.83 CCCc1ccc(cc1)C=O TS40660 [1,1,0,0,0,0|0,0,0]=2 452 B11R1.83 CCCc1ccc(cc1)CN TS07601 [1,1,0,0,0,0|1,0,1]=4 453 B11R1.83 CCCc1ccc(cc1)NN TS15743 [1,1,0,0,0,0|2,0,0]=4 454 B11R1.83 CCCc1ccc(cc1)OC TS40915 [1,1,0,0,0,0|2,0,0]=4 455 B11R1.83 CCNc1ccc(cc1)C#N TS40442 [1,1,0,0,0,0|1,0,1]=4 456 B11R1.83 CCOc1ccc(cc1)C#C TS59514 [1,1,0,0,0,0|1,0,1]=4 457 B11R1.83 CCOc1ccc(cc1)C#N TS07333 [1,1,0,0,0,0|1,0,1]=4 458 B11R1.83 CCOc1ccc(cc1)C=C TS07479 [1,1,0,0,0,0|1,0,0]=3 459 B11R1.83 CCOc1ccc(cc1)C=O TS71098 [1,1,0,0,0,0|0,0,0]=2 460 B11R1.83 CCOc1ccc(cc1)CBr TS21838 [1,1,0,0,0,0|1,0,1]=4 461 B11R1.83 CCOc1ccc(cc1)CO TS10188 [1,1,0,0,0,0|0,0,2]=4 462 B11R1.83 CCOc1ccc(cc1)C[Zn+] TS25824 [1,1,0,0,0,0|1,0,1]=4 463 B11R1.83 CCSc1ccc(cc1)C=O TS12276 [1,1,0,0,0,0|0,0,0]=2 464 B11R1.83 CCc1ccc(cc1)CC#N TS07123 [1,1,0,0,0,0|1,0,1]=4 465 B11R1.83 CCc1ccc(cc1)CNC TS40780 [1,1,0,0,0,0|1,0,1]=4 466 B11R1.83 CCc1ccc(cc1)N=C=O TS40535 [1,1,0,0,0,0|0,0,1]=3 467 B11R1.83 CCc1ccc(cc1)OCC TS40919 [1,1,0,0,0,0|1,0,1]=4 468 B11R1.83 CNCc1ccc(cc1)C#N TS40437 [1,1,0,0,0,0|1,0,1]=4 469 B11R1.83 CNCc1ccc(cc1)OC TS03152 [1,1,0,0,0,0|2,0,0]=4 470 B11R1.83 CNCc1ccc(cc1)OC TS03153 [1,1,0,0,0,0|2,0,0]=4 471 B11R1.83 COc1ccc(cc1)C=CBr TS21449 [1,1,0,0,0,0|2,0,0]=4 472 B11R1.83 COc1ccc(cc1)C=CCl TS44956 [1,1,0,0,0,0|2,0,0]=4 473 B11R1.83 COc1ccc(cc1)CC=C TS07478 [1,1,0,0,0,0|2,0,0]=4 474 B11R1.83 COc1ccc(cc1)CC=O TS09869 [1,1,0,0,0,0|1,0,0]=3 475 B11R1.83 COc1ccc(cc1)CCCl TS12933 [1,1,0,0,0,0|2,0,0]=4 476 B11R1.83 COc1ccc(cc1)CCO TS41151 [1,1,0,0,0,0|2,0,0]=4 477 B11R1.83 COc1ccc(cc1)N=C=O TS40726 [1,1,0,0,0,0|1,0,1]=4 478 B11R1.83 COc1ccc(cc1)NC=O TS41013 [1,1,0,0,0,0|1,0,0]=3 479 B11R1.83 CSc1ccc(cc1)N=C=O TS42925 [1,1,0,0,0,0|1,0,1]=4 480 B11R1.83 c1cc(ccc1CCN)CO TS16390 [1,1,0,0,0,0|0,0,2]=4 481 B11R1.83 c1cc(ccc1CCl)N=C=O TS43279 [1,1,0,0,0,0|1,0,1]=4 482 B11R1.279 COc1c(cc(cn1)C=O)Cl TS85210 [1,1,0,0,0,0|2,0,0]=4 483 B11R1.279 COc1c(cc(cn1)C=O)F TS07749 [1,1,0,0,0,0|2,0,0]=4 484 B11R1.279 COc1ccc(c(c1)F)C=O TS55334 [1,1,0,0,0,0|1,0,0]=3 485 B11R1.279 COc1ccc(c(c1)O)C=O TS55391 [1,1,0,0,0,0|1,0,0]=3 486 B11R1.279 COc1ccc(cc1Br)C=O TS44639 [1,1,0,0,0,0|1,0,0]=3 487 B11R1.279 COc1ccc(cc1Cl)C=O TS12915 [1,1,0,0,0,0|1,0,0]=3 488 B11R1.279 COc1ccc(cc1I)C=O TS08986 [1,1,0,0,0,0|1,0,0]=3 489 B11R1.279 COc1ccc(cc1O)C=O TS70606 [1,1,0,0,0,0|1,0,0]=3 490 B11R1.279 Cc1cc(ccc1C=O)OC TS01123 [1,1,0,0,0,0|1,0,0]=3 491 B11R1.279 Cc1cc(ccc1OC)C=O TS01858 [1,1,0,0,0,0|1,0,0]=3 492 B11R1.279 Cc1cc(ncc1C=O)OC TS02257 [1,1,0,0,0,0|2,0,0]=4 493 B11R1.279 c1cc(c(cc1C#N)F)C=O TS71087 [1,1,0,0,0,0|1,0,1]=4 494 B11R1.279 c1cc(c(cc1C=O)F)C#N TS39660 [1,1,0,0,0,0|1,0,1]=4 495 B11R1.279 c1cc(c(cc1C=O)I)C=O TS29409 [1,1,0,0,0,0|1,0,1]=4 496 B11R1.19 CC(C)(C)c1ccc(cc1)Br TS39998 [1,1,0,0,0,0|1,0,0]=3 497 B11R1.19 CC(C)(C)c1ccc(cc1)Cl TS12633 [1,1,0,0,0,0|1,0,0]=3 498 B11R1.19 CC(C)(C)c1ccc(cc1)I TS09205 [1,1,0,0,0,0|1,0,0]=3 499 B11R1.19 CC(C)(C)c1ccc(cc1)N TS40788 [1,1,0,0,0,0|1,0,0]=3 500 B11R1.19 CC(C)(C)c1ccc(cc1)O TS09914 [1,1,0,0,0,0|0,0,1]=3 501 B11R1.19 CC(C)(C)c1ccc(cc1)S TS03197 [1,1,0,0,0,0|0,1,0]=3 502 B11R1.19 CC(C)(C)c1ccc(cc1)[O-] TS50792 [1,1,0,0,0,0|0,0,1]=3 503 B11R1.19 CC(C)(c1ccc(cc1)F)N TS10336 [1,1,0,0,0,0|1,0,0]=3 504 B11R1.19 CC(C)(c1ccc(cc1)F)O TS10445 [1,1,0,0,0,0|1,0,0]=3 505 B11R1.19 C[N+](C)(C)c1ccc(cc1)N TS61180 [1,1,0,0,0,0|2,0,0]=4 506 B11R1.19 C[Si](C)(C)c1ccc(cc1)Br TS52820 [1,1,0,0,0,0|1,1,0]=4 507 B11R1.19 C[Si](C)(C)c1ccc(cc1)Cl TS15402 [1,1,0,0,0,0|1,1,0]=4 508 B11R1.19 C[Si](C)(C)c1ccc(cc1)F TS12592 [1,1,0,0,0,0|1,1,0]=4 509 B11R1.19 C[Si](C)(C)c1ccc(cc1)S TS15049 [1,1,0,0,0,0|0,2,0]=4 510 B11R1.19 Cc1ccc(cc1)C(C)(C)C TS07507 [1,1,0,0,0,0|0,0,1]=3 511 B11R1.19 Cc1ccc(cc1)[Si](C)(C)C TS42819 [1,1,0,0,0,0|0,1,1]=4 512 B11R1.21 CC(C)c1ccc(c(c1)Br)N TS39651 [1,1,0,0,0,0|1,0,0]=3 513 B11R1.21 CC(C)c1ccc(c(c1)N)O TS41038 [1,1,0,0,0,0|0,0,1]=3 514 B11R1.21 CC(C)c1ccc(c(c1)O)O TS41153 [1,1,0,0,0,0|0,0,1]=3 515 B11R1.21 CC(c1ccc(c(c1)Cl)Cl)N TS51020 [1,1,0,0,0,0|2,0,0]=4 516 B11R1.21 CC(c1ccc(c(c1)Cl)F)O TS13589 [1,1,0,0,0,0|2,0,0]=4 517 B11R1.21 CC(c1ccc(c(c1)F)F)N TS41759 [1,1,0,0,0,0|2,0,0]=4 518 B11R1.21 C[C@@H](c1ccc(c(c1)F)Cl)N TS20840 [1,1,0,0,0,0|2,0,0]=4 519 B11R1.21 C[C@@H](c1ccc(c(c1)F)F)N TS41756 [1,1,0,0,0,0|2,0,0]=4 520 B11R1.21 C[C@H](c1ccc(c(c1)Cl)F)N TS13420 [1,1,0,0,0,0|2,0,0]=4 521 B11R1.21 C[C@H](c1ccc(c(c1)F)Cl)N TS20839 [1,1,0,0,0,0|2,0,0]=4 522 B11R1.21 C[C@H](c1ccc(c(c1)F)F)N TS10832 [1,1,0,0,0,0|2,0,0]=4 523 B11R1.21 Cc1cc(ccc1Cl)[C@H](C)N TS45062 [1,1,0,0,0,0|2,0,0]=4 524 B11R1.21 Cc1ccc(cc1Cl)[C@@H](C)N TS45057 [1,1,0,0,0,0|1,0,1]=4 525 B11R1.21 Cc1ccc(cc1N)C(C)C TS07607 [1,1,0,0,0,0|0,0,1]=3 526 B11R1.21 Cc1ccc(cc1O)C(C)C TS40901 [1,1,0,0,0,0|0,0,1]=3 527 B11R1.22 CC(c1ccc(cc1)Br)[N+]#[C-] TS20831 [1,1,0,0,0,0|1,0,1]=4 528 B11R1.22 CCC(C)c1ccc(cc1)Br TS44299 [1,1,0,0,0,0|1,0,0]=3 529 B11R1.22 CCC(C)c1ccc(cc1)O TS40902 [1,1,0,0,0,0|0,0,1]=3 530 B11R1.22 C[C@@H](c1ccc(cc1)F)NC TS10333 [1,1,0,0,0,0|1,0,0]=3 531 B11R1.22 C[C@H](c1ccc(cc1)F)NC TS10331 [1,1,0,0,0,0|1,0,0]=3 532 B11R1.22 Cc1ccc(cc1)C(C)C=O TS07460 [1,1,0,0,0,0|0,0,2]=4 533 B11R1.22 c1cc(ccc1C(CBr)Br)F TS34375 [1,1,0,0,0,0|2,0,0]=4 534 B11R1.22 c1cc(ccc1C(CCl)O)Cl TS51233 [1,1,0,0,0,0|2,0,0]=4 535 B11R1.22 c1cc(ccc1C(CN)O)Br TS28392 [1,1,0,0,0,0|2,0,0]=4 536 B11R1.22 c1cc(ccc1C(CN)O)Cl TS43395 [1,1,0,0,0,0|2,0,0]=4 537 B11R1.22 c1cc(ccc1C(CN)O)F TS51366 [1,1,0,0,0,0|2,0,0]=4 538 B11R1.22 c1cc(ccc1C(CN)O)O TS41283 [1,1,0,0,0,0|1,0,1]=4 539 B11R1.22 c1cc(ccc1C(CO)Cl)Cl TS51225 [1,1,0,0,0,0|2,0,0]=4 540 B11R1.22 c1cc(ccc1[C@@H](CCl)O)F TS13596 [1,1,0,0,0,0|2,0,0]=4 541 B11R1.22 c1cc(ccc1[C@H](CCl)O)F TS13604 [1,1,0,0,0,0|2,0,0]=4 542 B11R1.166 CC(c1ccc(cc1Cl)Cl)N TS51012 [1,1,0,0,0,0|2,0,0]=4 543 B11R1.166 CC(c1ccc(cc1Cl)Cl)O TS51231 [1,1,0,0,0,0|2,0,0]=4 544 B11R1.166 CC(c1ccc(cc1Cl)F)O TS13594 [1,1,0,0,0,0|2,0,0]=4 545 B11R1.166 CC(c1ccc(cc1F)F)N TS41758 [1,1,0,0,0,0|2,0,0]=4 546 B11R1.166 CN(C)c1ccc(cc1Br)F TS49358 [1,1,0,0,0,0|2,0,0]=4 547 B11R1.166 CN(C)c1ccc(cc1F)Br TS49357 [1,1,0,0,0,0|2,0,0]=4 548 B11R1.166 CN(C)c1ccc(cc1F)F TS41754 [1,1,0,0,0,0|2,0,0]=4 549 B11R1.166 C[C@@H](c1ccc(cc1F)F)N TS17734 [1,1,0,0,0,0|2,0,0]=4 550 B11R1.166 C[C@H](c1ccc(cc1F)F)N TS17732 [1,1,0,0,0,0|2,0,0]=4 551 B11R1.166 Cc1cc(ccc1C(C)C)N TS15547 [1,1,0,0,0,0|1,0,0]=3 552 B11R1.166 Cc1cc(ccc1C(C)C)O TS40896 [1,1,0,0,0,0|0,0,1]=3 553 B11R1.166 Cc1cc(ccc1N(C)C)Br TS21624 [1,1,0,0,0,0|2,0,0]=4 554 B11R1.166 Cc1ccc(c(c1)C)C(C)O TS40893 [1,1,0,0,0,0|1,0,1]=4 555 B11R1.166 Cc1ccc(c(c1)C)[C@H](C)N TS07613 [1,1,0,0,0,0|1,0,1]=4 556 B11R1.166 Cc1ccc(c(c1)O)C(C)C TS09913 [1,1,0,0,0,0|0,0,1]=3 557 B11R1.166 Cc1ccc(c(c1)O)C(C)C TS73186 [1,1,0,0,0,0|0,0,1]=3 558 B11R1.175 CC(C)c1cc([nH]n1)C(=O)O TS65092 [0,1,0,0,1,0|2,0,0]=4 559 B11R1.175 CC(C)c1cc(no1)C(=O)O TS41503 [0,1,0,0,1,0|2,0,0]=4 560 B11R1.175 CC(C)n1cc(cn1)C(=O)O TS10420 [0,1,0,0,1,0|2,0,0]=4 561 B11R1.175 CC(C)n1cc(nc1)C(=O)O TS41363 [0,1,0,0,1,0|2,0,0]=4 562 B13R1.4 CC(C)(C)Oc1ccc(cc1)C=C TS13900 [0,1,0,0,0,1|1,0,0]=3 563 B13R1.4 CC(C)(C)Oc1ccc(cc1)C=O TS14218 [0,1,0,0,0,1|0,0,0]=2 564 B13R1.4 CC(C)(C)Oc1ccc(cc1)CN TS14458 [0,1,0,0,0,1|1,0,1]=4 565 B13R1.4 CC(C)(C)Oc1ccc(cc1)CO TS16753 [0,1,0,0,0,1|0,0,2]=4 566 B13R1.4 CC(C)(C)Sc1ccc(cc1)C=O TS17935 [0,1,0,0,0,1|0,0,0]=2 567 B13R1.4 C[N+](C)(C)Cc1ccc(cc1)C=C TS44091 [0,1,0,0,0,1|2,0,0]=4 568 B13R1.4 C[Si](C)(C)Oc1ccc(cc1)C=O TS51903 [0,1,0,0,0,1|0,1,0]=3 569 B13R1.4 c1cc(ccc1C=O)OC(F)(F)F TS01658 [0,1,0,0,0,1|2,0,0]=4 570 B13R1.4 c1cc(ccc1C=O)SC(F)(F)F TS38956 [0,1,0,0,0,1|2,0,0]=4 571 B13R1.5 CCC(=O)Oc1ccc(cc1)C=O TS47509 [0,1,0,0,0,1|1,0,1]=4 572 B13R1.585 B(c1ccc(cc1)CC(C)C)(O)O TS09725 [0,1,0,0,0,1|1,0,1]=4 573 B13R1.585 B(c1ccc(cc1)OC(C)C)(O)O TS09728 [0,1,0,0,0,1|1,0,1]=4 574 B13R1.585 B(c1ccc(cc1)SC(C)C)(O)O TS70776 [0,1,0,0,0,1|1,0,1]=4 575 B13R1.585 CC(=O)Cc1ccc(cc1)C(=O)O TS47507 [0,1,0,0,0,1|1,0,1]=4 576 B13R1.585 CC(=O)Nc1ccc(cc1)C(=O)Cl TS53916 [0,1,0,0,0,1|1,0,1]=4 577 B13R1.585 CC(=O)Nc1ccc(cc1)C(=O)O TS14377 [0,1,0,0,0,1|1,0,1]=4 578 B13R1.585 CC(=O)Oc1ccc(cc1)C(=O)O TS47850 [0,1,0,0,0,1|1,0,1]=4 579 B13R1.585 CC(=O)c1ccc(cc1)NC(=O)C TS14017 [0,1,0,0,0,1|1,0,1]=4 580 B13R1.585 CC(=O)c1ccc(cc1)OC(=O)C TS14186 [0,1,0,0,0,1|1,0,1]=4 581 B13R1.585 CC(=O)c1ccc(cc1)OC(F)F TS16905 [0,1,0,0,0,1|2,0,0]=4 582 B13R1.585 CC(C)Cc1ccc(cc1)C(=O)C TS46162 [0,1,0,0,0,1|0,0,0]=2 583 B13R1.585 CC(C)Cc1ccc(cc1)C(=O)O TS01855 [0,1,0,0,0,1|0,0,0]=2 584 B13R1.585 CC(C)Oc1ccc(cc1)C(=O)O TS09727 [0,1,0,0,0,1|0,0,0]=2 585 B13R1.585 CC(C)Oc1ccc(cc1)[N+](=O)[O-] TS48085 [0,1,0,0,0,1|1,0,0]=3 586 B13R1.585 CC(C)Oc1ccc(cn1)C(=O)O TS14778 [0,1,0,0,0,1|1,0,0]=3 587 B13R1.585 CC(C)Oc1ccc(cn1)[N+](=O)[O-] TS48240 [0,1,0,0,0,1|2,0,0]=4 588 B13R1.585 c1cc(ccc1C(=O)Cl)OC(F)F TS22784 [0,1,0,0,0,1|2,0,0]=4 589 B13R1.585 c1cc(ccc1C(=O)O)OC(F)F TS16907 [0,1,0,0,0,1|2,0,0]=4 590 B13R1.653 c1cc(c(cc1C=O)O)OC(F)F TS03075 [0,1,0,0,0,1|2,0,0]=4 591 B13R1.39 CCN(CC)c1ccc(cc1)C=O TS14059 [0,2,0,0,0,0|1,0,0]=3 592 B13R1.39 CCN(CC)c1ccc(cn1)C=O TS47582 [0,2,0,0,0,0|2,0,0]=4 593 B13R1.39 COC(c1ccc(cc1)CO)OC TS48256 [0,2,0,0,0,0|0,0,2]=4 594 B13R1.39 COc1ccc(cc1)C(OC)OC TS00236 [0,2,0,0,0,0|2,0,0]=4 595 B13R1.187 CC(C)(C#N)c1ccc(cc1)OC TS13717 [0,2,0,0,0,0|2,0,0]=4 596 B13R1.187 CCC(C)(C)c1ccc(cc1)C=O TS46157 [0,2,0,0,0,0|0,0,0]=2 597 B13R1.187 CCC(C)(C)c1ccc(cc1)CCl TS53781 [0,2,0,0,0,0|1,0,1]=4 598 B13R1.452 CN(CCCl)c1ccc(cc1)C=O TS18523 [0,2,0,0,0,0|1,0,0]=3 599 B13R1.452 CN(CCO)c1ccc(cc1)C=O TS47738 [0,2,0,0,0,0|1,0,0]=3 600 B13R1.537 B(c1ccc(cc1)C(C)CC)(O)O TS46369 [0,2,0,0,0,0|1,0,1]=4 601 B13R1.537 CC(=O)c1ccc(cc1)C(=O)OC TS08589 [0,2,0,0,0,0|1,0,1]=4 602 B13R1.537 CC(C)c1ccc(cc1)C(=O)CBr TS57510 [0,2,0,0,0,0|0,0,0]=2 603 B13R1.537 CC(C)c1ccc(cc1)C(=O)NN TS47577 [0,2,0,0,0,0|0,0,0]=2 604 B13R1.537 CC(C)c1ccc(cc1)C(=O)OC TS14220 [0,2,0,0,0,0|0,0,0]=2 605 B13R1.537 CC(C)c1ccc(cc1)C(C)C=O TS13898 [0,2,0,0,0,0|0,0,0]=2 606 B13R1.537 CCC(C)c1ccc(cc1)[N+](=O)[O-] TS14393 [0,2,0,0,0,0|1,0,0]=3 607 B13R1.537 CN(C)c1ccc(cc1)C(=NO)N TS47757 [0,2,0,0,0,0|1,0,1]=4 608 B13R1.537 CN(C)c1ccc(cc1)C(=O)CBr TS26796 [0,2,0,0,0,0|1,0,0]=3 609 B13R1.537 CN(C)c1ccc(cc1)C(=O)NN TS59700 [0,2,0,0,0,0|1,0,0]=3 610 B13R1.537 CN(C)c1ccc(cc1)C(=O)OC TS47747 [0,2,0,0,0,0|1,0,0]=3 611 B13R1.537 CN(C=O)c1ccc(cc1)C(=O)O TS14366 [0,2,0,0,0,0|1,0,1]=4 612 B13R1.537 COC(=O)c1ccc(cc1)C(=O)Cl TS56229 [0,2,0,0,0,0|1,0,1]=4 613 B13R1.537 COC(=O)c1ccc(cc1)C(=O)[O-] TS22400 [0,2,0,0,0,0|1,0,1]=4 614 B13R1.537 c1cc(ccc1C(=O)CBr)C(=O)O TS70726 [0,2,0,0,0,0|1,0,1]=4 615 B13R1.38 CC(C)(C)c1ccc(c(c1)N)OC TS14455 [0,2,0,0,0,0|2,0,0]=4 616 B13R1.38 CC(C)(C)c1ccc(c(c1)O)C=O TS08698 [0,2,0,0,0,0|0,0,0]=2 617 B13R1.38 CS(=O)(=O)c1ccc(c(c1)Cl)C=O TS22508 [0,2,0,0,0,0|2,0,0]=4 618 B13R1.38 c1cc(c(cc1C(F)(F)F)F)C=O TS08411 [0,2,0,0,0,0|2,0,0]=4 619 B13R1.96 c1cc(c(cc1C=O)F)C(F)(F)F TS02743 [0,2,0,0,0,0|2,0,0]=4 620 B13R1.140 CC(C)(C)c1ccc(cc1)CC#N TS02250 [0,2,0,0,0,0|1,0,1]=4 621 B13R1.140 CC(C)(C)c1ccc(cc1)CC=C TS13560 [0,2,0,0,0,0|1,0,0]=3 622 B13R1.140 CC(C)(C)c1ccc(cc1)CCN TS14095 [0,2,0,0,0,0|1,0,1]=4 623 B13R1.140 CC(C)(C)c1ccc(cc1)CCO TS14272 [0,2,0,0,0,0|0,0,2]=4 624 B13R1.140 CC(C)(C)c1ccc(cc1)C[N+]#[C-] TS13383 [0,2,0,0,0,0|1,0,1]=4 625 B13R1.140 CC(C)(C)c1ccc(cc1)N=C=O TS45971 [0,2,0,0,0,0|0,0,1]=3 626 B13R1.140 CC(C)(C)c1ccc(cc1)N=C=S TS51356 [0,2,0,0,0,0|0,1,1]=4 627 B13R1.338 B(c1ccc(cc1)C(C)(C)C)(O)O TS03196 [0,2,0,0,0,0|1,0,1]=4 628 B13R1.338 CC(=O)c1ccc(cc1)C(C)(C)C TS03194 [0,2,0,0,0,0|0,0,0]=2 629 B13R1.338 CC(=O)c1ccc(cc1)C(F)(F)F TS70791 [0,2,0,0,0,0|2,0,0]=4 630 B13R1.338 CC(=O)c1ccc(cc1)S(=O)(=O)C TS54027 [0,2,0,0,0,0|2,0,0]=4 631 B13R1.338 CC(C)(C)c1ccc(cc1)C(=N)N TS44275 [0,2,0,0,0,0|1,0,0]=3 632 B13R1.338 CC(C)(C)c1ccc(cc1)C(=N)N TS46180 [0,2,0,0,0,0|1,0,0]=3 633 B13R1.338 CC(C)(C)c1ccc(cc1)C(=O)Cl TS18383 [0,2,0,0,0,0|0,0,0]=2 634 B13R1.338 CC(C)(C)c1ccc(cc1)C(=O)N TS46319 [0,2,0,0,0,0|0,0,0]=2 635 B13R1.338 CC(C)(C)c1ccc(cc1)C(=O)O TS33176 [0,2,0,0,0,0|0,0,0]=2 636 B13R1.338 CC(C)(C)c1ccc(cc1)C(=O)[O-] TS37887 [0,2,0,0,0,0|0,0,0]=2 637 B13R1.338 CC(C)(C)c1ccc(cc1)C(=O)[O-] TS69843 [0,2,0,0,0,0|0,0,0]=2 638 B13R1.338 CC(C)(C)c1ccc(cc1)C(=S)N TS17719 [0,2,0,0,0,0|0,1,0]=3 639 B13R1.338 CC(C)(C)c1ccc(cc1)N(C)C TS14094 [0,2,0,0,0,0|2,0,0]=4 640 B13R1.338 CC(C)(C)c1ccc(cn1)C(=O)O TS85622 [0,2,0,0,0,0|1,0,0]=3 641 B13R1.338 CC(C)c1ccc(cc1)S(=O)(=O)Cl TS49524 [0,2,0,0,0,0|1,0,0]=3 642 B13R1.338 CC(C)c1ccc(cc1)S(=O)(=O)[O-] TS23431 [0,2,0,0,0,0|1,0,0]=3 643 B13R1.338 CC(c1ccc(cc1)S(=O)(=O)C)N TS18846 [0,2,0,0,0,0|2,0,0]=4 644 B13R1.338 CS(=O)(=O)c1ccc(cc1)C(=O)O TS60364 [0,2,0,0,0,0|2,0,0]=4 645 B13R1.338 C[C@@H](c1ccc(cc1)C(C)(C)C)N TS08106 [0,2,0,0,0,0|1,0,1]=4 646 B13R1.338 C[C@H](c1ccc(cc1)C(C)(C)C)N TS08059 [0,2,0,0,0,0|1,0,1]=4 647 B13R1.338 c1cc(ccc1C(=O)F)C(F)(F)F TS17411 [0,2,0,0,0,0|2,0,0]=4 648 B13R1.338 c1cc(ccc1C(=O)N)C(F)(F)F TS70792 [0,2,0,0,0,0|2,0,0]=4 649 B13R1.338 c1cc(ccc1C(=O)O)C(F)(F)F TS39517 [0,2,0,0,0,0|2,0,0]=4 650 B13R1.338 c1cc(ccc1C(=O)[O-])C(F)(F)F TS44124 [0,2,0,0,0,0|2,0,0]=4 651 B13R1.120 CC(C)c1ccc(c(=O)[nH]1)C(=O)O TS48075 [0,2,0,0,0,0|1,0,0]=3 652 B13R1.120 CC(C)c1ccc(cc1Br)C(=O)O TS57812 [0,2,0,0,0,0|0,0,0]=2 653 B13R1.120 CC(C)c1ccc(cc1Br)[N+](=O)[O-] TS61963 [0,2,0,0,0,0|1,0,0]=3 654 B13R1.120 CC(C)c1ccc(cc1I)C(=O)O TS58070 [0,2,0,0,0,0|0,0,0]=2 655 B13R1.120 CN(C)c1ccc(c(c1)N)N(=O)=O TS02662 [0,2,0,0,0,0|2,0,0]=4 656 B13R1.120 CN(C)c1ccc(c(c1)O)C(=O)O TS14774 [0,2,0,0,0,0|1,0,0]=3 657 B13R1.120 CN(C)c1ccc(cc1Br)C(=O)O TS61954 [0,2,0,0,0,0|1,0,0]=3 658 B13R1.120 CN(C)c1ccc(cc1Cl)N(=O)=O TS19115 [0,2,0,0,0,0|2,0,0]=4 659 B13R1.120 CN(C)c1ccc(cc1I)C(=O)O TS58144 [0,2,0,0,0,0|1,0,0]=3 660 B13R1.120 Cc1cc(ccc1C(C)C)C(C)C TS46187 [0,2,0,0,0,0|1,0,1]=4 661 B13R1.120 Cc1cc(ccc1P(=O)=O)N(C)C TS49915 [0,2,0,0,0,0|2,0,0]=4 662 B13R1.120 Cc1cc(ccc1[P+](=O)O)N(C)C TS37714 [0,2,0,0,0,0|2,0,0]=4 663 B13R1.120 c1cc(c(cc1C(=O)O)Br)C(F)F TS28134 [0,2,0,0,0,0|2,0,0]=4 664 B13R1.120 c1cc(c(cc1C(=O)O)I)C(F)F TS56002 [0,2,0,0,0,0|2,0,0]=4 665 B13R1.144 CC(C)c1ccc(c(c1)Br)N=C=S TS28876 [0,2,0,0,0,0|0,1,1]=4 666 B13R1.652 CC(C)c1cc(c(cc1F)OC)Br TS85794 [0,2,0,0,0,0|2,0,0]=4 667 B13R1.652 CC(C)c1cc(c(cc1F)OC)I TS92104 [0,2,0,0,0,0|2,0,0]=4 668 B13R1.3091 CC(C)c1ccc(c(c1)C=O)OC TS14223 [0,2,0,0,0,0|2,0,0]=4 669 B13R1.3091 CN(C)c1ccc(c(c1)OC)C=O TS14392 [0,2,0,0,0,0|1,0,0]=3 670 B13R1.74 CN(C)c1ccc(cc1)C=CC#N TS13193 [0,2,0,0,0,0|2,0,0]=4 671 B13R1.74 CN(C)c1ccc(cc1)C=CC=O TS45991 [0,2,0,0,0,0|1,0,0]=3 672 B11R1.950 CC1(C=CC=C(C=C1)CO)C TS40909 [0,0,1,1,0,0|0,0,2]=4 673 B11R1.159 CC(C)c1cccc(c1O)O TS41150 [0,0,1,1,0,0|1,0,1]=4 674 B11R1.159 Cc1cccc(c1N)C(C)C TS55412 [0,0,1,1,0,0|2,0,0]=4 675 B11R1.159 Cc1cccc(c1O)C(C)C TS40904 [0,0,1,1,0,0|2,0,0]=4 676 B11R2.190 c1cc2c(cc1C=O)C=C2 TS05540 [1,0,0,1,0,0|0,0,2]=4 677 B11R2.34 c1cc(ccc1C2CO2)Br TS54150 [1,0,0,1,0,0|2,0,0]=4 678 B11R2.34 c1cc(ccc1C2CO2)Cl TS10530 [1,0,0,1,0,0|2,0,0]=4 679 B11R2.34 c1cc(ccc1C2CO2)F TS37172 [1,0,0,1,0,0|2,0,0]=4 680 B11R2.34 c1cc(ccc1[C@@H]2CO2)Br TS54152 [1,0,0,1,0,0|2,0,0]=4 681 B11R2.34 c1cc(ccc1[C@@H]2CO2)Cl TS41460 [1,0,0,1,0,0|2,0,0]=4 682 B11R2.34 c1cc(ccc1[C@H]2CO2)Br TS54153 [1,0,0,1,0,0|2,0,0]=4 683 B13R2.2121 Cn1cc2cc(ccc2n1)C=O TS89433 [0,0,0,1,0,1|1,0,1]=4 684 B13R2.2121 Cn1cc2ccc(cc2n1)C=O TS85890 [0,0,0,1,0,1|2,0,0]=4 685 B13R2.186 COc1ccc(cc1)C2(CC2)N TS11721 [0,1,0,1,0,0|2,0,0]=4 686 B13R2.2130 Cn1c2ccc(cc2cn1)C=O TS86337 [0,1,0,1,0,0|1,0,1]=4 687 B13R2.2130 Cn1c2ccc(cc2nn1)C=O TS00464 [0,1,0,1,0,0|2,0,0]=4 688 B13R2.2130 Cn1cnc2c1ccc(c2)C=O TS00465 [0,1,0,1,0,0|1,0,1]=4 689 B9R1.21 CCc1[nH]cc(n1)C=O TS05022 [1,0,0,0,1,0|2,0,0]=4 690 B9R1.21 CCc1ccc(o1)C=O TS32598 [1,0,0,0,1,0|1,0,0]=3 691 B9R1.21 CCc1ccc(s1)C=O TS06487 [1,0,0,0,1,0|1,0,0]=3 692 B9R1.21 CCc1csc(n1)C=O TS71101 [1,0,0,0,1,0|2,0,0]=4 693 B9R1.21 CCn1cc(cn1)C=O TS77176 [1,0,0,0,1,0|2,0,0]=4 694 B9R1.21 CSc1ccc([nH]1)C=O TS37496 [1,0,0,0,1,0|2,0,0]=4 695 B9R1.21 CSc1ccc(s1)C=O TS11041 [1,0,0,0,1,0|2,0,0]=4 696 B9R1.21 c1cc(oc1CCl)C=O TS40262 [1,0,0,0,1,0|2,0,0]=4 697 B9R1.21 c1cc(oc1CO)C=O TS71320 [1,0,0,0,1,0|2,0,0]=4 698 B11R1.20 CC(=O)N=C1C=CC(=O)C=C1 TS40733 [1,0,0,0,0,1|1,0,1]=4 699 B11R1.20 CC(C)Cc1ccc(cc1)Br TS44298 [1,0,0,0,0,1|1,0,0]=3 700 B11R1.20 CC(C)Cc1ccc(cc1)N TS07610 [1,0,0,0,0,1|1,0,0]=3 701 B11R1.20 CC(C)Nc1ccc(cc1)Cl TS45059 [1,0,0,0,0,1|1,0,0]=3 702 B11R1.20 CC(C)Nc1ccc(cc1)F TS10328 [1,0,0,0,0,1|1,0,0]=3 703 B11R1.20 CC(C)Oc1ccc(cc1)N TS10070 [1,0,0,0,0,1|1,0,0]=3 704 B11R1.20 CC(C)Oc1ccc(cc1)N TS50642 [1,0,0,0,0,1|1,0,0]=3 705 B11R1.20 CC(C)Oc1ccc(cn1)Br TS85279 [1,0,0,0,0,1|2,0,0]=4 706 B11R1.20 CC(C)Oc1ccc(cn1)N TS10201 [1,0,0,0,0,1|2,0,0]=4 707 B11R1.20 CC(Cc1ccc(cc1)Cl)N TS38929 [1,0,0,0,0,1|2,0,0]=4 708 B11R1.20 CC(Cc1ccc(cc1)F)N TS10335 [1,0,0,0,0,1|2,0,0]=4 709 B11R1.20 CC(Cc1ccc(cc1)I)N TS55981 [1,0,0,0,0,1|2,0,0]=4 710 B11R1.20 CN(C)Cc1ccc(cc1)Br TS21622 [1,0,0,0,0,1|2,0,0]=4 711 B11R1.20 CN(C)Cc1ccc(cc1)N TS03005 [1,0,0,0,0,1|2,0,0]=4 712 B11R1.266 CC(C)c1cccc(c1)NN TS15744 [0,0,0,0,1,1|2,0,0]=4 713 B11R1.266 CCc1cccc(c1)C(C)C TS07506 [0,0,0,0,1,1|1,0,1]=4 714 B11R1.266 CN(C)c1nccc(n1)C=O TS10048 [0,0,0,0,1,1|2,0,0]=4 715 B13R1.3 CC(C)COc1ccc(cc1)C=O TS02235 [0,0,0,0,0,2|0,0,0]=2