0 B9R1.35 B(c1ccc(s1)C)(O)O B23138 [0,0,0,0,0,0|2,0,1]=3 1 B9R1.35 B(c1ccc(s1)Cl)(O)O B23193 [0,0,0,0,0,0|1,0,1]=2 2 B9R1.35 C1[C@H](C=C[C@H]1N)C(=O)O H52013 [0,0,0,0,0,0|2,0,2]=4 3 B9R1.35 CC(=O)c1cc(cs1)Cl H30384 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.35 CC(=O)c1ccc(s1)Br A14826 [0,0,0,0,0,0|1,1,0]=2 5 B9R1.35 CC(=O)c1ccc(s1)Cl A11850 [0,0,0,0,0,0|1,0,0]=1 6 B9R1.35 CC(=O)c1ccc(s1)I L17852 [0,0,0,0,0,0|1,1,0]=2 7 B9R1.35 Cc1cc([nH]n1)C(=O)O H59899 [0,0,0,0,0,0|4,0,0]=4 8 B9R1.35 Cc1cc(no1)C(=O)O L17577 [0,0,0,0,0,0|4,0,0]=4 9 B9R1.35 Cc1cc(on1)C(=O)O H63740 [0,0,0,0,0,0|4,0,0]=4 10 B9R1.35 Cc1cc(sc1)C(=O)C L17617 [0,0,0,0,0,0|4,0,0]=4 11 B9R1.35 Cc1ccc(o1)C(=O)C A16172 [0,0,0,0,0,0|2,1,0]=3 12 B9R1.35 Cc1ccc(o1)C(=O)Cl H27697 [0,0,0,0,0,0|2,1,0]=3 13 B9R1.35 Cc1ccc(s1)C(=O)C A11282 [0,0,0,0,0,0|2,0,0]=2 14 B9R1.35 Cc1ccc(s1)C(=O)O A17737 [0,0,0,0,0,0|1,0,0]=1 15 B9R1.35 Cc1ccn(n1)C(=O)N A14584 [0,0,0,0,0,0|4,0,0]=4 16 B9R1.35 Cc1cnc(s1)C(=O)O H63076 [0,0,0,0,0,0|2,0,0]=2 17 B9R1.35 Cc1csc(n1)C(=O)O H63065 [0,0,0,0,0,0|3,0,0]=3 18 B9R1.35 Cn1cc(nc1)C(=O)O H51866 [0,0,0,0,0,0|4,0,0]=4 19 B9R1.35 Cn1ccc(n1)C(=O)O H50317 [0,0,0,0,0,0|3,0,0]=3 20 B9R1.35 c1([nH]nc(n1)N)C(=O)O A14690 [0,0,0,0,0,0|4,0,0]=4 21 B9R1.35 c1c([nH]c(n1)Cl)[N+](=O)[O-] H61141 [0,0,0,0,0,0|3,0,1]=4 22 B9R1.35 c1c(coc1C(=O)N)Br H52355 [0,0,0,0,0,0|3,1,0]=4 23 B9R1.35 c1c(nc(s1)N)C(=O)N H66557 [0,0,0,0,0,0|4,0,0]=4 24 B9R1.35 c1c(nc(s1)N)C(=O)O H66459 [0,0,0,0,0,0|3,0,0]=3 25 B9R1.35 c1c(sc(n1)Br)C(=O)O H27203 [0,0,0,0,0,0|1,1,0]=2 26 B9R1.35 c1c(sc(n1)Br)[N+](=O)[O-] A14701 [0,0,0,0,0,0|2,1,1]=4 27 B9R1.35 c1c(sc(n1)N)[N+](=O)[O-] B21335 [0,0,0,0,0,0|3,0,1]=4 28 B9R1.35 c1cc(oc1C(=O)O)Br A14840 [0,0,0,0,0,0|0,2,0]=2 29 B9R1.35 c1cc(sc1C(=O)Cl)Cl H61474 [0,0,0,0,0,0|1,0,0]=1 30 B9R1.35 c1cc(sc1C(=O)O)Br A19242 [0,0,0,0,0,0|0,1,0]=1 31 B9R1.35 c1cc(sc1C(=O)O)Cl A15209 [0,0,0,0,0,0|0,0,0]=0 32 B9R1.35 c1cc(sc1[N+](=O)[O-])Br A15866 [0,0,0,0,0,0|1,1,1]=3 33 B8R1.1 CCc1ccc(s1)C B22640 [1,0,0,0,0,0|2,0,1]=4 34 B8R1.1 Cc1ccc(o1)C=O A13264 [1,0,0,0,0,0|1,1,0]=3 35 B8R1.1 Cc1ccc(s1)C=O A11119 [1,0,0,0,0,0|1,0,0]=2 36 B8R1.1 c1c(coc1C=O)Br H26994 [1,0,0,0,0,0|2,1,0]=4 37 B8R1.1 c1c(csc1C=O)Br A13304 [1,0,0,0,0,0|2,1,0]=4 38 B8R1.1 c1c(sc(n1)Br)C=O H31096 [1,0,0,0,0,0|1,1,0]=3 39 B8R1.1 c1c(sc(n1)Cl)C=O H33256 [1,0,0,0,0,0|1,0,0]=2 40 B8R1.1 c1c(sc(n1)N)C=O H27112 [1,0,0,0,0,0|2,0,0]=3 41 B8R1.1 c1cc(oc1C=O)Br B22536 [1,0,0,0,0,0|0,2,0]=3 42 B8R1.1 c1cc(oc1C=O)Cl L19971 [1,0,0,0,0,0|0,1,0]=2 43 B8R1.1 c1cc(oc1C=O)I L19670 [1,0,0,0,0,0|0,2,0]=3 44 B8R1.1 c1cc(sc1C=O)Br A13381 [1,0,0,0,0,0|0,1,0]=2 45 B8R1.1 c1cc(sc1C=O)Cl B22833 [1,0,0,0,0,0|0,0,0]=1 46 B8R1.1 c1cc(sc1CCl)Cl H54361 [1,0,0,0,0,0|1,0,1]=3 47 B8R1.1 c1cc(sc1CO)Br H61493 [1,0,0,0,0,0|0,1,1]=3 48 B8R1.7 B(c1ccco1)(O)O B23842 [1,0,0,0,0,0|1,1,1]=4 49 B8R1.7 B(c1cccs1)(O)O B23071 [1,0,0,0,0,0|1,0,1]=3 50 B8R1.7 C1C=CCC1C(=O)O B25456 [1,0,0,0,0,0|1,0,2]=4 51 B8R1.7 C1CC=C(C1)C(=O)O A13271 [1,0,0,0,0,0|1,0,2]=4 52 B8R1.7 CC(=C1C=CC=C1)C B21826 [1,0,0,0,0,0|3,0,0]=4 53 B8R1.7 CC(=O)c1cc[nH]c1 A12073 [1,0,0,0,0,0|3,0,0]=4 54 B8R1.7 CC(=O)c1ccc[nH]1 A14593 [1,0,0,0,0,0|2,0,0]=3 55 B8R1.7 CC(=O)c1ccco1 A14938 [1,0,0,0,0,0|1,1,0]=3 56 B8R1.7 CC(=O)c1cccs1 A13062 [1,0,0,0,0,0|1,0,0]=2 57 B8R1.7 CC(=O)c1ccoc1 H34071 [1,0,0,0,0,0|3,0,0]=4 58 B8R1.7 CC(=O)c1ccsc1 A11078 [1,0,0,0,0,0|3,0,0]=4 59 B8R1.7 CC(=O)c1nccs1 A11266 [1,0,0,0,0,0|2,0,0]=3 60 B8R1.7 CC(c1cccs1)N H26052 [1,0,0,0,0,0|2,0,1]=4 61 B8R1.7 C[C@H](c1cccs1)O H26936 [1,0,0,0,0,0|1,0,1]=3 62 B8R1.7 c1c(cn[nH]1)C(=O)O H25783 [1,0,0,0,0,0|3,0,0]=4 63 B8R1.7 c1c(nc[nH]1)C(=O)O H56862 [1,0,0,0,0,0|2,0,0]=3 64 B8R1.7 c1c(nns1)C(=O)O B20842 [1,0,0,0,0,0|3,0,0]=4 65 B8R1.7 c1c(ocn1)C(=O)O H30179 [1,0,0,0,0,0|1,1,0]=3 66 B8R1.7 c1c[nH]cc1C(=O)O H55383 [1,0,0,0,0,0|2,0,0]=3 67 B8R1.7 c1c[nH]nc1C(=O)O B25732 [1,0,0,0,0,0|2,0,0]=3 68 B8R1.7 c1cc([nH]c1)C(=O)O L13756 [1,0,0,0,0,0|1,0,0]=2 69 B8R1.7 c1cc([nH]c1)C(=S)N H58042 [1,0,0,0,0,0|2,1,0]=4 70 B8R1.7 c1cc(oc1)C(=O)Cl L06960 [1,0,0,0,0,0|1,1,0]=3 71 B8R1.7 c1cc(oc1)C(=O)N B25075 [1,0,0,0,0,0|1,1,0]=3 72 B8R1.7 c1cc(oc1)C(=O)O A11454 [1,0,0,0,0,0|0,1,0]=2 73 B8R1.7 c1cc(oc1)C(=S)N H51831 [1,0,0,0,0,0|1,2,0]=4 74 B8R1.7 c1cc(sc1)C(=O)Cl A14641 [1,0,0,0,0,0|1,0,0]=2 75 B8R1.7 c1cc(sc1)C(=O)N A15219 [1,0,0,0,0,0|1,0,0]=2 76 B8R1.7 c1cc(sc1)C(=O)O A12514 [1,0,0,0,0,0|0,0,0]=1 77 B8R1.7 c1cc(sc1)C(=O)[O-] H64950 [1,0,0,0,0,0|0,0,1]=2 78 B8R1.7 c1cc(sc1)C(=S)N B25225 [1,0,0,0,0,0|1,1,0]=3 79 B8R1.7 c1cc(sc1)[N+](=O)[O-] A17464 [1,0,0,0,0,0|1,0,1]=3 80 B8R1.7 c1cnoc1C(=O)Cl A14625 [1,0,0,0,0,0|2,1,0]=4 81 B8R1.7 c1cnoc1C(=O)O A13739 [1,0,0,0,0,0|1,1,0]=3 82 B8R1.7 c1cocc1C(=O)O L11629 [1,0,0,0,0,0|2,0,0]=3 83 B8R1.7 c1conc1C(=O)O H58438 [1,0,0,0,0,0|2,0,0]=3 84 B8R1.7 c1csc(n1)C(=O)O H63620 [1,0,0,0,0,0|1,0,0]=2 85 B8R1.7 c1cscc1C(=O)Cl H61428 [1,0,0,0,0,0|3,0,0]=4 86 B8R1.7 c1cscc1C(=O)O A15712 [1,0,0,0,0,0|2,0,0]=3 87 B10R1.14 COC(=O)c1cc(c[nH]1)Br H33918 [0,1,0,0,0,0|2,1,0]=4 88 B10R1.14 COC(=O)c1cc(c[nH]1)I H33193 [0,1,0,0,0,0|2,1,0]=4 89 B10R1.14 COC(=O)c1ccc(o1)Br B20524 [0,1,0,0,0,0|0,2,0]=3 90 B10R1.14 COC(=O)c1ccc(o1)N L05958 [0,1,0,0,0,0|1,1,0]=3 91 B10R1.14 COC(=O)c1cnc(s1)Br H27410 [0,1,0,0,0,0|1,1,0]=3 92 B10R1.14 COC(=O)c1csc(n1)Br H63541 [0,1,0,0,0,0|2,1,0]=4 93 B10R1.14 Cc1ccc(o1)C(=O)OC H27570 [0,1,0,0,0,0|1,1,0]=3 94 B10R1.14 Cc1cnc(s1)C(=O)OC H63644 [0,1,0,0,0,0|2,0,0]=3 95 B10R1.14 c1cc(sc1C(=O)NN)Br H61959 [0,1,0,0,0,0|1,1,0]=3 96 B10R1.31 B(c1ccc(s1)C#N)(O)O L18523 [0,1,0,0,0,0|2,0,1]=4 97 B10R1.31 B(c1ccc(s1)C=O)(O)O H29289 [0,1,0,0,0,0|2,0,1]=4 98 B10R1.31 CC(=O)c1ccc(s1)C#N A12765 [0,1,0,0,0,0|2,0,0]=3 99 B10R1.31 CSc1ccc(s1)C(=O)O H61106 [0,1,0,0,0,0|1,0,0]=2 100 B10R1.31 c1cc(sc1C#N)[N+](=O)[O-] L11058 [0,1,0,0,0,0|2,0,1]=4 101 B10R1.31 c1cc(sc1C=O)[N+](=O)[O-] L01493 [0,1,0,0,0,0|2,0,1]=4 102 B10R1.55 Cc1ccc(s1)S(=O)(=O)Cl H54736 [0,1,0,0,0,0|2,0,1]=4 103 B10R1.55 c1cc(sc1S(=O)(=O)Cl)Br A14677 [0,1,0,0,0,0|1,1,1]=4 104 B10R1.55 c1cc(sc1S(=O)(=O)Cl)Cl A11348 [0,1,0,0,0,0|1,0,1]=3 105 B10R1.55 c1cc(sc1S(=O)(=O)N)Br H59795 [0,1,0,0,0,0|1,1,1]=4 106 B10R1.55 c1cc(sc1S(=O)(=O)N)Cl B20477 [0,1,0,0,0,0|1,0,1]=3 107 B10R1.58 Cc1cc(nn1C)C(=O)O H64475 [0,1,0,0,0,0|3,0,0]=4 108 B10R1.58 Cc1cc(sc1C)C(=O)O H27210 [0,1,0,0,0,0|1,0,0]=2 109 B10R1.58 c1c(c(oc1C(=O)O)Br)Br L15517 [0,1,0,0,0,0|0,2,0]=3 110 B10R1.58 c1c(c(sc1C(=O)O)Br)Br B20928 [0,1,0,0,0,0|0,1,0]=2 111 B10R1.59 CC(=O)c1cc(sc1Cl)Cl A13867 [0,1,0,0,0,0|3,0,0]=4 112 B10R1.59 Cc1c(sc(n1)C)C(=O)C A13741 [0,1,0,0,0,0|3,0,0]=4 113 B10R1.59 Cc1c(sc(n1)C)C(=O)O H65732 [0,1,0,0,0,0|2,0,0]=3 114 B10R1.59 Cc1c(sc(n1)N)C(=O)C L09108 [0,1,0,0,0,0|3,0,0]=4 115 B10R1.59 Cc1cc(c([nH]1)C)C(=O)O B20635 [0,1,0,0,0,0|3,0,0]=4 116 B10R1.59 c1c(c(sc1Cl)Cl)C(=O)O L19101 [0,1,0,0,0,0|2,0,0]=3 117 B8R0.23 C=C(CC(=O)O)C(=O)O A15566 [0,0,1,0,0,0|3,0,0]=4 118 B8R0.23 CC(=O)NC(=C)C(=O)O L01649 [0,0,1,0,0,0|2,0,1]=4 119 B8R0.28 CC(=C\C=C\C(=O)C)C L09169 [0,0,1,0,0,0|3,0,0]=4 120 B10R1.13 B(c1ccc(cc1)Cl)(O)O A15657 [0,0,0,0,0,1|2,0,1]=4 121 B10R1.13 B(c1ccc(cn1)Cl)(O)O H52515 [0,0,0,0,0,1|2,0,1]=4 122 B10R1.13 B(c1ccc(nc1)Cl)(O)O L20388 [0,0,0,0,0,1|2,0,1]=4 123 B10R1.13 CC(=C)c1ccc(cc1)Cl A14913 [0,0,0,0,0,1|3,0,0]=4 124 B10R1.13 CC(=O)c1ccc(cc1)Br A12222 [0,0,0,0,0,1|2,1,0]=4 125 B10R1.13 CC(=O)c1ccc(cc1)Cl A12115 [0,0,0,0,0,1|2,0,0]=3 126 B10R1.13 CC(=O)c1ccc(cc1)F A13950 [0,0,0,0,0,1|2,1,0]=4 127 B10R1.13 CC(=O)c1ccc(cc1)I A16794 [0,0,0,0,0,1|2,1,0]=4 128 B10R1.13 CC(=O)c1ccc(cc1)N A13213 [0,0,0,0,0,1|3,0,0]=4 129 B10R1.13 CC(=O)c1ccc(cc1)O A11974 [0,0,0,0,0,1|3,0,0]=4 130 B10R1.13 CC(=O)c1ccc(nc1)Br H33204 [0,0,0,0,0,1|2,1,0]=4 131 B10R1.13 CC(c1ccc(cc1)Cl)O L05038 [0,0,0,0,0,1|2,0,1]=4 132 B10R1.13 Cc1ccc(cc1)C(=O)C A14469 [0,0,0,0,0,1|3,0,0]=4 133 B10R1.13 Cc1ccc(cc1)C(=O)Cl A15581 [0,0,0,0,0,1|3,0,0]=4 134 B10R1.13 Cc1ccc(cc1)C(=O)N A11559 [0,0,0,0,0,1|3,0,0]=4 135 B10R1.13 Cc1ccc(cc1)C(=O)O A11506 [0,0,0,0,0,1|2,0,0]=3 136 B10R1.13 Cc1ccc(cn1)C(=O)C H27014 [0,0,0,0,0,1|3,0,0]=4 137 B10R1.13 Cc1ccc(cn1)C(=O)N A16039 [0,0,0,0,0,1|3,0,0]=4 138 B10R1.13 Cc1ccc(cn1)C(=O)O L08877 [0,0,0,0,0,1|2,0,0]=3 139 B10R1.13 Cc1cnc(cn1)C(=O)O A14011 [0,0,0,0,0,1|3,0,0]=4 140 B10R1.13 Cc1ncc(cn1)C(=O)O H64375 [0,0,0,0,0,1|3,0,0]=4 141 B10R1.13 c1c(cnc(n1)C(=O)O)Br H64041 [0,0,0,0,0,1|2,1,0]=4 142 B10R1.13 c1c(ncc(n1)Br)C(=O)O H66382 [0,0,0,0,0,1|2,1,0]=4 143 B10R1.13 c1c(ncc(n1)Cl)C(=O)O H32596 [0,0,0,0,0,1|2,0,0]=3 144 B10R1.13 c1c(ncc(n1)N)C(=O)O H66207 [0,0,0,0,0,1|3,0,0]=4 145 B10R1.13 c1c[n+](ccc1C(=O)O)[O-] L02425 [0,0,0,0,0,1|3,0,0]=4 146 B10R1.13 c1cc(=O)occ1C(=O)O B25521 [0,0,0,0,0,1|1,1,0]=3 147 B10R1.13 c1cc(ccc1C(=N)N)Cl A11571 [0,0,0,0,0,1|3,0,0]=4 148 B10R1.13 c1cc(ccc1C(=O)Cl)Br L03794 [0,0,0,0,0,1|2,1,0]=4 149 B10R1.13 c1cc(ccc1C(=O)Cl)Cl A16325 [0,0,0,0,0,1|2,0,0]=3 150 B10R1.13 c1cc(ccc1C(=O)Cl)F A12946 [0,0,0,0,0,1|2,1,0]=4 151 B10R1.13 c1cc(ccc1C(=O)Cl)I B25388 [0,0,0,0,0,1|2,1,0]=4 152 B10R1.13 c1cc(ccc1C(=O)N)Br B24348 [0,0,0,0,0,1|2,1,0]=4 153 B10R1.13 c1cc(ccc1C(=O)N)Cl A13809 [0,0,0,0,0,1|2,0,0]=3 154 B10R1.13 c1cc(ccc1C(=O)N)F L06831 [0,0,0,0,0,1|2,1,0]=4 155 B10R1.13 c1cc(ccc1C(=O)N)N A12594 [0,0,0,0,0,1|3,0,0]=4 156 B10R1.13 c1cc(ccc1C(=O)N)O B24222 [0,0,0,0,0,1|3,0,0]=4 157 B10R1.13 c1cc(ccc1C(=O)O)Br A12518 [0,0,0,0,0,1|1,1,0]=3 158 B10R1.13 c1cc(ccc1C(=O)O)Cl A15135 [0,0,0,0,0,1|1,0,0]=2 159 B10R1.13 c1cc(ccc1C(=O)O)F A14129 [0,0,0,0,0,1|1,1,0]=3 160 B10R1.13 c1cc(ccc1C(=O)O)I A10730 [0,0,0,0,0,1|1,1,0]=3 161 B10R1.13 c1cc(ccc1C(=O)O)N A12673 [0,0,0,0,0,1|2,0,0]=3 162 B10R1.13 c1cc(ccc1C(=O)O)O A13700 [0,0,0,0,0,1|2,0,0]=3 163 B10R1.13 c1cc(ccc1C(=O)[O-])O H56590 [0,0,0,0,0,1|2,0,1]=4 164 B10R1.13 c1cc(ccc1C(=S)N)Cl A12021 [0,0,0,0,0,1|2,1,0]=4 165 B10R1.13 c1cc(ccc1Cl)[Se](=O)O B21186 [0,0,0,0,0,1|2,0,0]=3 166 B10R1.13 c1cc(ccc1S(=O)[O-])Cl A12583 [0,0,0,0,0,1|2,0,1]=4 167 B10R1.13 c1cc(ccc1[N+](=O)[O-])Cl A15396 [0,0,0,0,0,1|2,0,1]=4 168 B10R1.13 c1cc(ncc1Br)C(=O)Cl H61760 [0,0,0,0,0,1|2,1,0]=4 169 B10R1.13 c1cc(ncc1Br)C(=O)O B25675 [0,0,0,0,0,1|1,1,0]=3 170 B10R1.13 c1cc(ncc1C(=O)Cl)Cl A12354 [0,0,0,0,0,1|2,0,0]=3 171 B10R1.13 c1cc(ncc1C(=O)N)Cl B21922 [0,0,0,0,0,1|2,0,0]=3 172 B10R1.13 c1cc(ncc1C(=O)N)N L06692 [0,0,0,0,0,1|3,0,0]=4 173 B10R1.13 c1cc(ncc1C(=O)O)Br H27926 [0,0,0,0,0,1|1,1,0]=3 174 B10R1.13 c1cc(ncc1C(=O)O)Cl A15620 [0,0,0,0,0,1|1,0,0]=2 175 B10R1.13 c1cc(ncc1C(=O)O)F H55147 [0,0,0,0,0,1|1,1,0]=3 176 B10R1.13 c1cc(ncc1C(=O)O)N A11223 [0,0,0,0,0,1|2,0,0]=3 177 B10R1.13 c1cc(ncc1C(=O)O)O A15802 [0,0,0,0,0,1|2,0,0]=3 178 B10R1.13 c1cc(ncc1Cl)C(=O)O H30923 [0,0,0,0,0,1|1,0,0]=2 179 B10R1.13 c1cc(ncc1Cl)[N+](=O)[O-] H27000 [0,0,0,0,0,1|2,0,1]=4 180 B10R1.13 c1cc(ncc1F)C(=O)O H32086 [0,0,0,0,0,1|1,1,0]=3 181 B10R1.13 c1cc(ncc1N)C(=O)O H27589 [0,0,0,0,0,1|2,0,0]=3 182 B10R1.13 c1cc(ncc1O)C(=O)O H64265 [0,0,0,0,0,1|2,0,0]=3 183 B10R1.13 c1cc(ncc1[N+](=O)[O-])Cl A10709 [0,0,0,0,0,1|2,0,1]=4 184 B10R1.54 CC(=O)Nc1ncc(s1)Cl L17151 [0,0,0,0,0,1|2,0,0]=3 185 B10R1.54 c1c(nc(s1)N)CC(=O)O B23534 [0,0,0,0,0,1|3,0,0]=4 186 B10R1.54 c1c(nc(s1)N)CC(=O)O H28840 [0,0,0,0,0,1|3,0,0]=4 187 B10R1.113 B(c1cc(cnc1)Cl)(O)O H27756 [0,0,0,0,0,1|2,0,1]=4 188 B10R1.113 B(c1cccc(c1)Cl)(O)O B24444 [0,0,0,0,0,1|2,0,1]=4 189 B10R1.113 B(c1ccnc(c1)Cl)(O)O H27357 [0,0,0,0,0,1|2,0,1]=4 190 B10R1.113 CC(=O)c1cc(ccn1)Br H66562 [0,0,0,0,0,1|2,1,0]=4 191 B10R1.113 CC(=O)c1cc(cnc1)Br L19362 [0,0,0,0,0,1|2,1,0]=4 192 B10R1.113 CC(=O)c1cccc(c1)Br A12454 [0,0,0,0,0,1|2,1,0]=4 193 B10R1.113 CC(=O)c1cccc(c1)Cl A15592 [0,0,0,0,0,1|2,0,0]=3 194 B10R1.113 CC(=O)c1cccc(c1)F A11733 [0,0,0,0,0,1|2,1,0]=4 195 B10R1.113 CC(=O)c1cccc(c1)N A12503 [0,0,0,0,0,1|3,0,0]=4 196 B10R1.113 CC(=O)c1cccc(c1)O A12547 [0,0,0,0,0,1|3,0,0]=4 197 B10R1.113 CC(=O)c1cccc(n1)Br H55981 [0,0,0,0,0,1|2,1,0]=4 198 B10R1.113 CC(=O)c1ccnc(c1)Cl H33619 [0,0,0,0,0,1|2,0,0]=3 199 B10R1.113 CC(c1cccc(c1)Cl)O L04783 [0,0,0,0,0,1|2,0,1]=4 200 B10R1.113 Cc1cc(ccn1)C(=O)O H57969 [0,0,0,0,0,1|2,0,0]=3 201 B10R1.113 Cc1cc(cnc1)C(=O)N L18970 [0,0,0,0,0,1|3,0,0]=4 202 B10R1.113 Cc1cc(cnc1)C(=O)O L16370 [0,0,0,0,0,1|2,0,0]=3 203 B10R1.113 Cc1cccc(c1)C(=O)C L00440 [0,0,0,0,0,1|3,0,0]=4 204 B10R1.113 Cc1cccc(c1)C(=O)Cl B23914 [0,0,0,0,0,1|3,0,0]=4 205 B10R1.113 Cc1cccc(c1)C(=O)N B24442 [0,0,0,0,0,1|3,0,0]=4 206 B10R1.113 Cc1cccc(c1)C(=O)O A13785 [0,0,0,0,0,1|2,0,0]=3 207 B10R1.113 Cc1cccc(n1)C(=O)C H65997 [0,0,0,0,0,1|3,0,0]=4 208 B10R1.113 Cc1cccc(n1)C(=O)O H26302 [0,0,0,0,0,1|2,0,0]=3 209 B10R1.113 c1c(cncc1Br)C(=O)Cl L15510 [0,0,0,0,0,1|2,1,0]=4 210 B10R1.113 c1c(cncc1Br)C(=O)N A17840 [0,0,0,0,0,1|2,1,0]=4 211 B10R1.113 c1c(cncc1Br)C(=O)O A13589 [0,0,0,0,0,1|1,1,0]=3 212 B10R1.113 c1c(cncc1Cl)C(=O)O H26804 [0,0,0,0,0,1|1,0,0]=2 213 B10R1.113 c1c(cncc1F)C(=O)O H61162 [0,0,0,0,0,1|1,1,0]=3 214 B10R1.113 c1c(cncc1N)C(=O)O H60192 [0,0,0,0,0,1|2,0,0]=3 215 B10R1.113 c1c(cncc1O)C(=O)O H30725 [0,0,0,0,0,1|2,0,0]=3 216 B10R1.113 c1c(nc(cn1)Cl)C(=O)O H66404 [0,0,0,0,0,1|1,0,0]=2 217 B10R1.113 c1cc(cc(c1)Br)C(=O)Cl A15256 [0,0,0,0,0,1|2,1,0]=4 218 B10R1.113 c1cc(cc(c1)Br)C(=O)N H64672 [0,0,0,0,0,1|2,1,0]=4 219 B10R1.113 c1cc(cc(c1)Br)C(=O)O A12606 [0,0,0,0,0,1|1,1,0]=3 220 B10R1.113 c1cc(cc(c1)Cl)C(=O)Cl A13509 [0,0,0,0,0,1|2,0,0]=3 221 B10R1.113 c1cc(cc(c1)Cl)C(=O)N A11389 [0,0,0,0,0,1|2,0,0]=3 222 B10R1.113 c1cc(cc(c1)Cl)C(=O)O A10876 [0,0,0,0,0,1|1,0,0]=2 223 B10R1.113 c1cc(cc(c1)Cl)C(=S)N H26423 [0,0,0,0,0,1|2,1,0]=4 224 B10R1.113 c1cc(cc(c1)Cl)[N+](=O)[O-] B23423 [0,0,0,0,0,1|2,0,1]=4 225 B10R1.113 c1cc(cc(c1)F)C(=O)Cl L09152 [0,0,0,0,0,1|2,1,0]=4 226 B10R1.113 c1cc(cc(c1)F)C(=O)N L06701 [0,0,0,0,0,1|2,1,0]=4 227 B10R1.113 c1cc(cc(c1)F)C(=O)O A16511 [0,0,0,0,0,1|1,1,0]=3 228 B10R1.113 c1cc(cc(c1)I)C(=O)Cl L17451 [0,0,0,0,0,1|2,1,0]=4 229 B10R1.113 c1cc(cc(c1)I)C(=O)O A11515 [0,0,0,0,0,1|1,1,0]=3 230 B10R1.113 c1cc(cc(c1)N)C(=O)N A10793 [0,0,0,0,0,1|3,0,0]=4 231 B10R1.113 c1cc(cc(c1)N)C(=O)O A19540 [0,0,0,0,0,1|2,0,0]=3 232 B10R1.113 c1cc(cc(c1)N)C(=O)O L08407 [0,0,0,0,0,1|2,0,0]=3 233 B10R1.113 c1cc(cc(c1)O)C(=O)O A13628 [0,0,0,0,0,1|2,0,0]=3 234 B10R1.113 c1cc(nc(c1)Br)C(=O)N H31811 [0,0,0,0,0,1|2,1,0]=4 235 B10R1.113 c1cc(nc(c1)Br)C(=O)O H30553 [0,0,0,0,0,1|1,1,0]=3 236 B10R1.113 c1cc(nc(c1)Cl)C(=O)N H33547 [0,0,0,0,0,1|2,0,0]=3 237 B10R1.113 c1cc(nc(c1)Cl)C(=O)O L19448 [0,0,0,0,0,1|1,0,0]=2 238 B10R1.113 c1cc(nc(c1)F)C(=O)N H32911 [0,0,0,0,0,1|2,1,0]=4 239 B10R1.113 c1cc(nc(c1)F)C(=O)O H26106 [0,0,0,0,0,1|1,1,0]=3 240 B10R1.113 c1cc(nc(c1)N)C(=O)O H31861 [0,0,0,0,0,1|2,0,0]=3 241 B10R1.113 c1cnc(cc1Br)C(=O)O H64244 [0,0,0,0,0,1|1,1,0]=3 242 B10R1.113 c1cnc(cc1C(=O)N)Br L19854 [0,0,0,0,0,1|2,1,0]=4 243 B10R1.113 c1cnc(cc1C(=O)N)Cl H25769 [0,0,0,0,0,1|2,0,0]=3 244 B10R1.113 c1cnc(cc1C(=O)N)I H31468 [0,0,0,0,0,1|2,1,0]=4 245 B10R1.113 c1cnc(cc1C(=O)N)N L19843 [0,0,0,0,0,1|3,0,0]=4 246 B10R1.113 c1cnc(cc1C(=O)O)Br L19855 [0,0,0,0,0,1|1,1,0]=3 247 B10R1.113 c1cnc(cc1C(=O)O)Cl L19449 [0,0,0,0,0,1|1,0,0]=2 248 B10R1.113 c1cnc(cc1C(=O)O)F 44755 [0,0,0,0,0,1|1,1,0]=3 249 B10R1.113 c1cnc(cc1C(=O)O)I H31002 [0,0,0,0,0,1|1,1,0]=3 250 B10R1.113 c1cnc(cc1C(=O)O)N L19845 [0,0,0,0,0,1|2,0,0]=3 251 B10R1.113 c1cnc(cc1C(=O)O)O H64241 [0,0,0,0,0,1|2,0,0]=3 252 B10R1.113 c1cnc(cc1C(=S)N)Cl H52263 [0,0,0,0,0,1|2,1,0]=4 253 B10R1.113 c1cnc(cc1Cl)C(=O)N H65265 [0,0,0,0,0,1|2,0,0]=3 254 B10R1.113 c1cnc(cc1Cl)C(=O)O H32301 [0,0,0,0,0,1|1,0,0]=2 255 B10R1.113 c1cnc(cc1O)C(=O)O H34262 [0,0,0,0,0,1|2,0,0]=3 256 B10R1.113 c1cnc(cc1[N+](=O)[O-])Cl L17699 [0,0,0,0,0,1|2,0,1]=4 257 B7R0.4 C\C=C\C=C\C(=O)O A16196 [1,0,1,0,0,0|1,0,0]=3 258 B7R0.4 C\C=C\C=C\C(=O)[O-] A12844 [1,0,1,0,0,0|1,0,1]=4 259 B7R1.1 C1C=CC=C1C=O 39254 [2,0,0,0,0,0|1,0,0]=3 260 B7R1.1 C1C=CC=C1C=O 44292 [2,0,0,0,0,0|1,0,0]=3 261 B7R1.1 C1C=CC=C1CO 39257 [2,0,0,0,0,0|1,0,1]=4 262 B7R1.1 C=CC1=CC=CC1 17450 [2,0,0,0,0,0|2,0,0]=4 263 B7R1.1 CCc1cccs1 A13372 [2,0,0,0,0,0|1,0,1]=4 264 B7R1.1 COc1cccs1 A10455 [2,0,0,0,0,0|2,0,0]=4 265 B7R1.1 CSc1cccs1 A11763 [2,0,0,0,0,0|2,0,0]=4 266 B7R1.1 c1c(nc[nH]1)C=O B25050 [2,0,0,0,0,0|2,0,0]=4 267 B7R1.1 c1c(ncs1)C=O H64028 [2,0,0,0,0,0|2,0,0]=4 268 B7R1.1 c1c(scn1)C=O H60138 [2,0,0,0,0,0|1,0,0]=3 269 B7R1.1 c1c[nH]cc1C=O H35559 [2,0,0,0,0,0|2,0,0]=4 270 B7R1.1 c1cc([nH]c1)C=O A12838 [2,0,0,0,0,0|1,0,0]=3 271 B7R1.1 c1cc(oc1)C=O 31305 [2,0,0,0,0,0|0,1,0]=3 272 B7R1.1 c1cc(oc1)C=O A16167 [2,0,0,0,0,0|0,1,0]=3 273 B7R1.1 c1cc(oc1)CO A10968 [2,0,0,0,0,0|0,1,1]=4 274 B7R1.1 c1cc(sc1)C#N A11930 [2,0,0,0,0,0|1,0,1]=4 275 B7R1.1 c1cc(sc1)C=O A14344 [2,0,0,0,0,0|0,0,0]=2 276 B7R1.1 c1cc(sc1)CN A11700 [2,0,0,0,0,0|1,0,1]=4 277 B7R1.1 c1cc(sc1)CO A15768 [2,0,0,0,0,0|0,0,1]=3 278 B7R1.1 c1cnc([nH]1)C=O L13883 [2,0,0,0,0,0|2,0,0]=4 279 B7R1.1 c1cocc1C=O A11334 [2,0,0,0,0,0|2,0,0]=4 280 B7R1.1 c1csc(n1)C=O H63329 [2,0,0,0,0,0|1,0,0]=3 281 B7R1.1 c1cscc1C=O A14628 [2,0,0,0,0,0|2,0,0]=4 282 B7R1.2 C1=CC(=O)NC1=O A13135 [2,0,0,0,0,0|2,0,0]=4 283 B7R1.2 C1=CC(=O)OC1=O A12178 [2,0,0,0,0,0|1,1,0]=4 284 B7R1.2 C1=CC(=O)OC1=O H66064 [2,0,0,0,0,0|1,1,0]=4 285 B7R1.2 Cc1ccc(s1)C A10869 [2,0,0,0,0,0|1,0,1]=4 286 B7R1.2 Cc1ccc(s1)Cl B21657 [2,0,0,0,0,0|0,0,1]=3 287 B7R1.2 c1c(sc(n1)N)Cl L05707 [2,0,0,0,0,0|2,0,0]=4 288 B7R1.2 c1cc(sc1Br)Br A13406 [2,0,0,0,0,0|1,1,0]=4 289 B7R1.2 c1cc(sc1Cl)Br A16682 [2,0,0,0,0,0|1,0,0]=3 290 B7R1.2 c1cc(sc1Cl)Cl A13839 [2,0,0,0,0,0|1,0,0]=3 291 B7R1.2 c1cc(sc1Cl)[Zn+] H58674 [2,0,0,0,0,0|1,0,0]=3 292 B7R1.2 c1cc(sc1I)I A12443 [2,0,0,0,0,0|1,1,0]=4 293 B7R1.2 c1cc(sc1[Zn+])Br H58942 [2,0,0,0,0,0|1,1,0]=4 294 B9R1.7 c1cc(sc1\C=N\O)Br B24968 [1,1,0,0,0,0|0,1,0]=3 295 B9R1.21 CCc1ccc(o1)C=O L06659 [1,1,0,0,0,0|1,1,0]=4 296 B9R1.21 CCc1ccc(s1)C=O B23711 [1,1,0,0,0,0|1,0,0]=3 297 B9R1.21 CSc1ccc(s1)C=O H61803 [1,1,0,0,0,0|1,0,0]=3 298 B9R1.21 c1cc(oc1CO)C=O A12475 [1,1,0,0,0,0|1,1,0]=4 299 B9R1.21 c1cc(sc1C=O)C#N H64462 [1,1,0,0,0,0|1,0,0]=3 300 B9R1.22 C(=O)c1c(nc(s1)Cl)Cl H50456 [1,1,0,0,0,0|1,0,0]=3 301 B9R1.22 Cc1cc([nH]c1C=O)C H50478 [1,1,0,0,0,0|2,0,0]=4 302 B9R1.23 Cc1cc(oc1C)C=O L19314 [1,1,0,0,0,0|1,1,0]=4 303 B9R1.23 Cc1cc(sc1C)C=O H27712 [1,1,0,0,0,0|1,0,0]=3 304 B9R1.23 c1c(sc(c1Br)Br)C=O A19788 [1,1,0,0,0,0|0,1,0]=3 305 B9R1.11 CCC(=O)c1ccc[nH]1 B23954 [1,1,0,0,0,0|2,0,0]=4 306 B9R1.11 CCC(=O)c1ccco1 H26754 [1,1,0,0,0,0|1,1,0]=4 307 B9R1.11 CCC(=O)c1cccs1 L02318 [1,1,0,0,0,0|1,0,0]=3 308 B9R1.11 CCC(=O)c1nccs1 B21711 [1,1,0,0,0,0|2,0,0]=4 309 B9R1.11 COC(=O)c1c[nH]cn1 H55932 [1,1,0,0,0,0|2,0,0]=4 310 B9R1.11 COC(=O)c1cc[nH]c1 H54340 [1,1,0,0,0,0|2,0,0]=4 311 B9R1.11 COC(=O)c1cc[nH]n1 H34148 [1,1,0,0,0,0|2,0,0]=4 312 B9R1.11 COC(=O)c1ccc[nH]1 H59437 [1,1,0,0,0,0|1,0,0]=3 313 B9R1.11 COC(=O)c1ccco1 A14009 [1,1,0,0,0,0|0,1,0]=3 314 B9R1.11 COC(=O)c1cccs1 A12677 [1,1,0,0,0,0|0,0,0]=2 315 B9R1.11 COC(=O)c1ccno1 B25169 [1,1,0,0,0,0|1,1,0]=4 316 B9R1.11 COC(=O)c1ccsc1 H61488 [1,1,0,0,0,0|2,0,0]=4 317 B9R1.11 COC(=O)c1nccs1 H63496 [1,1,0,0,0,0|1,0,0]=3 318 B9R1.11 c1cc([nH]c1)\C(=N\O)\N H58959 [1,1,0,0,0,0|2,0,0]=4 319 B9R1.11 c1cc(oc1)C(=O)NN A13630 [1,1,0,0,0,0|1,1,0]=4 320 B9R1.11 c1cc(oc1)\C(=N\O)\N H58071 [1,1,0,0,0,0|1,1,0]=4 321 B9R1.11 c1cc(sc1)C(=O)CBr H51060 [1,1,0,0,0,0|1,0,0]=3 322 B9R1.11 c1cc(sc1)C(=O)NN A11270 [1,1,0,0,0,0|1,0,0]=3 323 B9R1.11 c1cc(sc1)\C(=N\O)\N H54658 [1,1,0,0,0,0|1,0,0]=3 324 B9R1.19 CS(=O)(=O)c1cccs1 B20940 [1,1,0,0,0,0|1,0,1]=4 325 B9R1.19 c1cc(sc1)S(=O)(=O)Cl A15553 [1,1,0,0,0,0|1,0,1]=4 326 B9R1.41 B(c1c(ccs1)C)(O)O H53201 [1,1,0,0,0,0|1,0,1]=4 327 B9R1.41 CC(=O)c1c(ccs1)Br L20113 [1,1,0,0,0,0|1,0,0]=3 328 B9R1.41 CC(=O)c1c(ccs1)Cl L20114 [1,1,0,0,0,0|1,0,0]=3 329 B9R1.41 CC(=O)c1c(ccs1)N L10563 [1,1,0,0,0,0|1,0,0]=3 330 B9R1.41 CC(=O)c1cccn1C A15353 [1,1,0,0,0,0|2,0,0]=4 331 B9R1.41 Cc1c(cco1)C(=O)O B24928 [1,1,0,0,0,0|2,0,0]=4 332 B9R1.41 Cc1c(scn1)C(=O)O H32662 [1,1,0,0,0,0|1,0,0]=3 333 B9R1.41 Cc1c(snn1)C(=O)O B20449 [1,1,0,0,0,0|2,0,0]=4 334 B9R1.41 Cc1ccoc1C(=O)O L01763 [1,1,0,0,0,0|0,1,0]=3 335 B9R1.41 Cc1ccsc1C(=O)C L04086 [1,1,0,0,0,0|1,0,0]=3 336 B9R1.41 Cc1ccsc1C(=O)Cl L17989 [1,1,0,0,0,0|1,0,0]=3 337 B9R1.41 Cc1ccsc1C(=O)N L18092 [1,1,0,0,0,0|1,0,0]=3 338 B9R1.41 Cc1ccsc1C(=O)O A19194 [1,1,0,0,0,0|0,0,0]=2 339 B9R1.41 Cn1c(ccn1)C(=O)O H32874 [1,1,0,0,0,0|2,0,0]=4 340 B9R1.41 Cn1cccc1C(=O)Cl L18431 [1,1,0,0,0,0|2,0,0]=4 341 B9R1.41 Cn1cccc1C(=O)O L05906 [1,1,0,0,0,0|1,0,0]=3 342 B9R1.41 Cn1ccnc1C(=O)O H51859 [1,1,0,0,0,0|2,0,0]=4 343 B9R1.41 Cn1cncc1C(=O)O H51106 [1,1,0,0,0,0|2,0,0]=4 344 B9R1.41 c1csc(c1Br)C(=O)N L16138 [1,1,0,0,0,0|1,0,0]=3 345 B9R1.41 c1csc(c1Br)C(=O)O A11935 [1,1,0,0,0,0|0,0,0]=2 346 B9R1.41 c1csc(c1Cl)C(=O)O L13560 [1,1,0,0,0,0|0,0,0]=2 347 B9R1.41 c1csc(c1N)C(=O)N L12371 [1,1,0,0,0,0|1,0,0]=3 348 B11R1.3 C=Cc1ccc(cc1)C(=O)O A11107 [0,1,0,0,0,1|2,0,0]=4 349 B11R1.3 CCc1ccc(cc1)C(=O)O A10235 [0,1,0,0,0,1|2,0,0]=4 350 B11R1.3 CNc1ccc(cc1)C(=O)O A12426 [0,1,0,0,0,1|2,0,0]=4 351 B11R1.3 COc1ccc(cc1)C(=O)O A15697 [0,1,0,0,0,1|2,0,0]=4 352 B11R1.3 CSc1ccc(cc1)C(=O)O B25706 [0,1,0,0,0,1|2,0,0]=4 353 B11R1.3 c1cc(ccc1C#N)C(=O)O A15434 [0,1,0,0,0,1|2,0,0]=4 354 B11R1.3 c1cc(ccc1C(=O)O)NN A13874 [0,1,0,0,0,1|2,0,0]=4 355 B11R1.3 c1cc(ccc1C(=O)O)NN B20326 [0,1,0,0,0,1|2,0,0]=4 356 B11R1.3 c1cc(ccc1C=O)C(=O)O A15277 [0,1,0,0,0,1|2,0,0]=4 357 B11R1.3 c1cc(ccc1CBr)C(=O)O L03371 [0,1,0,0,0,1|1,1,0]=4 358 B11R1.3 c1cc(ccc1CCl)C(=O)O B22275 [0,1,0,0,0,1|1,0,0]=3 359 B11R1.3 c1cc(ccc1CN)C(=O)O B23519 [0,1,0,0,0,1|2,0,0]=4 360 B11R1.3 c1cc(ccc1CO)C(=O)O B22183 [0,1,0,0,0,1|2,0,0]=4 361 B11R1.3 c1cc(ncc1C#N)C(=O)O H33722 [0,1,0,0,0,1|2,0,0]=4 362 B11R1.3 c1cc(ncc1C(=O)O)C#N L17127 [0,1,0,0,0,1|2,0,0]=4 363 B11R1.21 CC(=O)c1ccc(c(c1)Cl)Cl A13568 [0,1,0,0,0,1|2,0,0]=4 364 B11R1.21 CC(=O)c1ccc(c(c1)F)Cl H26373 [0,1,0,0,0,1|2,0,0]=4 365 B11R1.21 Cc1cc(ccc1Br)C(=O)O A14302 [0,1,0,0,0,1|1,1,0]=4 366 B11R1.21 Cc1cc(ccc1Cl)C(=O)C L06011 [0,1,0,0,0,1|2,0,0]=4 367 B11R1.21 Cc1cc(ccc1Cl)C(=O)Cl H66109 [0,1,0,0,0,1|2,0,0]=4 368 B11R1.21 Cc1cc(ccc1Cl)C(=O)O L08533 [0,1,0,0,0,1|1,0,0]=3 369 B11R1.21 Cc1cc(ccc1F)C(=O)O B24112 [0,1,0,0,0,1|1,1,0]=4 370 B11R1.21 Cc1cc(ccc1N)C(=O)O B24579 [0,1,0,0,0,1|2,0,0]=4 371 B11R1.21 Cc1cc(ccc1O)C(=O)O H27792 [0,1,0,0,0,1|2,0,0]=4 372 B11R1.21 Cc1ccc(cc1Br)C(=O)O A11496 [0,1,0,0,0,1|2,0,0]=4 373 B11R1.21 Cc1ccc(cc1C)C(=O)O A19260 [0,1,0,0,0,1|2,0,0]=4 374 B11R1.21 Cc1ccc(cc1Cl)C(=O)O B21228 [0,1,0,0,0,1|2,0,0]=4 375 B11R1.21 Cc1ccc(cc1F)C(=O)O A12981 [0,1,0,0,0,1|2,0,0]=4 376 B11R1.21 Cc1ccc(cc1I)C(=O)O A14197 [0,1,0,0,0,1|2,0,0]=4 377 B11R1.21 Cc1ccc(cc1N)C(=O)O A12674 [0,1,0,0,0,1|2,0,0]=4 378 B11R1.21 Cc1ccc(cc1O)C(=O)O B21501 [0,1,0,0,0,1|2,0,0]=4 379 B11R1.21 c1c(cnc(c1Br)Cl)C(=O)O H32384 [0,1,0,0,0,1|1,0,0]=3 380 B11R1.21 c1c(cnc(c1Cl)Cl)C(=O)O B25586 [0,1,0,0,0,1|1,0,0]=3 381 B11R1.21 c1c(cnc(c1Cl)O)C(=O)O A15737 [0,1,0,0,0,1|2,0,0]=4 382 B11R1.21 c1cc(c(cc1C(=O)Cl)Cl)Cl A17006 [0,1,0,0,0,1|2,0,0]=4 383 B11R1.21 c1cc(c(cc1C(=O)N)Cl)Cl A13878 [0,1,0,0,0,1|2,0,0]=4 384 B11R1.21 c1cc(c(cc1C(=O)N)N)Cl B25294 [0,1,0,0,0,1|2,0,0]=4 385 B11R1.21 c1cc(c(cc1C(=O)O)Br)Cl L19244 [0,1,0,0,0,1|1,0,0]=3 386 B11R1.21 c1cc(c(cc1C(=O)O)Br)F B24711 [0,1,0,0,0,1|1,1,0]=4 387 B11R1.21 c1cc(c(cc1C(=O)O)Br)O B21338 [0,1,0,0,0,1|2,0,0]=4 388 B11R1.21 c1cc(c(cc1C(=O)O)Cl)Br H27252 [0,1,0,0,0,1|1,1,0]=4 389 B11R1.21 c1cc(c(cc1C(=O)O)Cl)Cl A15873 [0,1,0,0,0,1|1,0,0]=3 390 B11R1.21 c1cc(c(cc1C(=O)O)Cl)F A12814 [0,1,0,0,0,1|1,1,0]=4 391 B11R1.21 c1cc(c(cc1C(=O)O)Cl)N H55590 [0,1,0,0,0,1|2,0,0]=4 392 B11R1.21 c1cc(c(cc1C(=O)O)Cl)O A12134 [0,1,0,0,0,1|2,0,0]=4 393 B11R1.21 c1cc(c(cc1C(=O)O)F)Br B25475 [0,1,0,0,0,1|1,1,0]=4 394 B11R1.21 c1cc(c(cc1C(=O)O)F)Cl H26161 [0,1,0,0,0,1|1,0,0]=3 395 B11R1.21 c1cc(c(cc1C(=O)O)F)F A15876 [0,1,0,0,0,1|1,1,0]=4 396 B11R1.21 c1cc(c(cc1C(=O)O)F)I H61724 [0,1,0,0,0,1|1,1,0]=4 397 B11R1.21 c1cc(c(cc1C(=O)O)F)N H26092 [0,1,0,0,0,1|2,0,0]=4 398 B11R1.21 c1cc(c(cc1C(=O)O)F)O B22160 [0,1,0,0,0,1|2,0,0]=4 399 B11R1.21 c1cc(c(cc1C(=O)O)I)Cl H33513 [0,1,0,0,0,1|1,0,0]=3 400 B11R1.21 c1cc(c(cc1C(=O)O)I)F H33762 [0,1,0,0,0,1|1,1,0]=4 401 B11R1.21 c1cc(c(cc1C(=O)O)I)N H32263 [0,1,0,0,0,1|2,0,0]=4 402 B11R1.21 c1cc(c(cc1C(=O)O)N)Br H60627 [0,1,0,0,0,1|1,1,0]=4 403 B11R1.21 c1cc(c(cc1C(=O)O)N)Cl A12671 [0,1,0,0,0,1|1,0,0]=3 404 B11R1.21 c1cc(c(cc1C(=O)O)N)F H61233 [0,1,0,0,0,1|1,1,0]=4 405 B11R1.21 c1cc(c(cc1C(=O)O)N)N A14213 [0,1,0,0,0,1|2,0,0]=4 406 B11R1.21 c1cc(c(cc1C(=O)O)N)O A13487 [0,1,0,0,0,1|2,0,0]=4 407 B11R1.21 c1cc(c(cc1C(=O)O)O)F B25340 [0,1,0,0,0,1|1,1,0]=4 408 B11R1.21 c1cc(c(cc1C(=O)O)O)I H27502 [0,1,0,0,0,1|1,1,0]=4 409 B11R1.21 c1cc(c(cc1C(=O)O)O)N A10207 [0,1,0,0,0,1|2,0,0]=4 410 B11R1.21 c1cc(c(cc1C(=O)O)O)O B24016 [0,1,0,0,0,1|2,0,0]=4 411 B11R1.21 c1cc(nc(c1Cl)Cl)C(=O)O H64320 [0,1,0,0,0,1|1,0,0]=3 412 B11R1.21 c1cc(nc(c1F)Cl)C(=O)O H64734 [0,1,0,0,0,1|1,1,0]=4 413 B11R1.22 CCC(=O)c1ccc(cc1)Cl A11633 [0,1,0,0,0,1|2,0,0]=4 414 B11R1.22 COC(=O)c1ccc(=O)oc1 B25330 [0,1,0,0,0,1|1,1,0]=4 415 B11R1.22 COC(=O)c1ccc(cc1)Br A15517 [0,1,0,0,0,1|1,1,0]=4 416 B11R1.22 COC(=O)c1ccc(cc1)Cl A10109 [0,1,0,0,0,1|1,0,0]=3 417 B11R1.22 COC(=O)c1ccc(cc1)F B21504 [0,1,0,0,0,1|1,1,0]=4 418 B11R1.22 COC(=O)c1ccc(cc1)I A19342 [0,1,0,0,0,1|1,1,0]=4 419 B11R1.22 COC(=O)c1ccc(cc1)N A11715 [0,1,0,0,0,1|2,0,0]=4 420 B11R1.22 COC(=O)c1ccc(cc1)O A14289 [0,1,0,0,0,1|2,0,0]=4 421 B11R1.22 COC(=O)c1ccc(cn1)Br B25415 [0,1,0,0,0,1|1,1,0]=4 422 B11R1.22 COC(=O)c1ccc(nc1)Cl A10396 [0,1,0,0,0,1|1,0,0]=3 423 B11R1.22 COC(=O)c1ccc(nc1)F H61302 [0,1,0,0,0,1|1,1,0]=4 424 B11R1.22 COC(=O)c1ccc(nc1)N H27575 [0,1,0,0,0,1|2,0,0]=4 425 B11R1.22 COC(=O)c1cnc(cn1)Cl H66306 [0,1,0,0,0,1|2,0,0]=4 426 B11R1.22 Cc1ccc(cc1)C(=O)OC B23111 [0,1,0,0,0,1|2,0,0]=4 427 B11R1.22 Cc1ccc(cn1)C(=O)OC L12276 [0,1,0,0,0,1|2,0,0]=4 428 B11R1.22 c1cc(ccc1C(=O)CBr)Cl A12607 [0,1,0,0,0,1|2,0,0]=4 429 B11R1.22 c1cc(ccc1C(=O)CCl)Cl A15954 [0,1,0,0,0,1|2,0,0]=4 430 B11R1.22 c1cc(ccc1C(=O)NN)Cl A11911 [0,1,0,0,0,1|2,0,0]=4 431 B11R1.166 CC(=O)c1ccc(cc1Cl)Cl A14428 [0,1,0,0,0,1|2,0,0]=4 432 B11R1.166 CC(=O)c1ccc(cc1O)Cl H27309 [0,1,0,0,0,1|2,0,0]=4 433 B11R1.166 Cc1cc(c(cn1)C(=O)O)O H66499 [0,1,0,0,0,1|2,0,0]=4 434 B11R1.166 Cc1cc(ccc1C(=O)O)Br L03071 [0,1,0,0,0,1|1,1,0]=4 435 B11R1.166 Cc1cc(ccc1C(=O)O)Cl H27262 [0,1,0,0,0,1|1,0,0]=3 436 B11R1.166 Cc1cc(ccc1C(=O)O)F H26801 [0,1,0,0,0,1|1,1,0]=4 437 B11R1.166 Cc1cc(ccc1C(=O)O)N H31657 [0,1,0,0,0,1|2,0,0]=4 438 B11R1.166 Cc1cc(ccc1C(=O)O)O H60810 [0,1,0,0,0,1|2,0,0]=4 439 B11R1.166 Cc1cc(cnc1C(=O)O)Br H64220 [0,1,0,0,0,1|1,1,0]=4 440 B11R1.166 Cc1ccc(c(c1)Br)C(=O)O H60413 [0,1,0,0,0,1|2,0,0]=4 441 B11R1.166 Cc1ccc(c(c1)C)C(=O)O A10589 [0,1,0,0,0,1|2,0,0]=4 442 B11R1.166 Cc1ccc(c(c1)F)C(=O)O H26688 [0,1,0,0,0,1|2,0,0]=4 443 B11R1.166 Cc1ccc(c(c1)O)C(=O)O L03367 [0,1,0,0,0,1|2,0,0]=4 444 B11R1.166 Cc1ccc(c(n1)Cl)C(=O)O A13857 [0,1,0,0,0,1|2,0,0]=4 445 B11R1.166 Cc1ccc(c(n1)O)C(=O)O A11842 [0,1,0,0,0,1|2,0,0]=4 446 B11R1.166 c1c(c(cnc1Cl)C(=O)O)Cl H61381 [0,1,0,0,0,1|1,0,0]=3 447 B11R1.166 c1c(cnc(c1Cl)C(=O)N)Cl H66981 [0,1,0,0,0,1|2,0,0]=4 448 B11R1.166 c1c(cnc(c1F)C(=O)O)Br H64466 [0,1,0,0,0,1|1,1,0]=4 449 B11R1.166 c1c(cnc(c1F)C(=O)O)F L20324 [0,1,0,0,0,1|1,1,0]=4 450 B11R1.166 c1cc(c(cc1Br)Br)C(=O)O H32008 [0,1,0,0,0,1|1,1,0]=4 451 B11R1.166 c1cc(c(cc1Br)Cl)C(=O)O A11527 [0,1,0,0,0,1|1,1,0]=4 452 B11R1.166 c1cc(c(cc1Br)F)C(=O)O B20118 [0,1,0,0,0,1|1,1,0]=4 453 B11R1.166 c1cc(c(cc1Br)N)C(=O)O H55829 [0,1,0,0,0,1|1,1,0]=4 454 B11R1.166 c1cc(c(cc1Cl)Br)C(=O)O H59777 [0,1,0,0,0,1|1,0,0]=3 455 B11R1.166 c1cc(c(cc1Cl)Cl)C(=O)Cl B20815 [0,1,0,0,0,1|2,0,0]=4 456 B11R1.166 c1cc(c(cc1Cl)Cl)C(=O)N A15915 [0,1,0,0,0,1|2,0,0]=4 457 B11R1.166 c1cc(c(cc1Cl)Cl)C(=O)O A12372 [0,1,0,0,0,1|1,0,0]=3 458 B11R1.166 c1cc(c(cc1Cl)F)C(=O)O B25277 [0,1,0,0,0,1|1,0,0]=3 459 B11R1.166 c1cc(c(cc1Cl)N)C(=O)O A10201 [0,1,0,0,0,1|1,0,0]=3 460 B11R1.166 c1cc(c(cc1Cl)O)C(=O)O B22520 [0,1,0,0,0,1|1,0,0]=3 461 B11R1.166 c1cc(c(cc1F)Br)C(=O)O L19321 [0,1,0,0,0,1|1,1,0]=4 462 B11R1.166 c1cc(c(cc1F)Cl)C(=O)O A14953 [0,1,0,0,0,1|1,1,0]=4 463 B11R1.166 c1cc(c(cc1F)F)C(=O)O A13403 [0,1,0,0,0,1|1,1,0]=4 464 B11R1.166 c1cc(c(cc1F)I)C(=O)O H55531 [0,1,0,0,0,1|1,1,0]=4 465 B11R1.166 c1cc(c(cc1F)N)C(=O)O B21907 [0,1,0,0,0,1|1,1,0]=4 466 B11R1.166 c1cc(c(cc1F)O)C(=O)O B24992 [0,1,0,0,0,1|1,1,0]=4 467 B11R1.166 c1cc(c(cc1N)Cl)C(=O)O A10116 [0,1,0,0,0,1|2,0,0]=4 468 B11R1.166 c1cc(c(cc1N)F)C(=O)O H26146 [0,1,0,0,0,1|2,0,0]=4 469 B11R1.166 c1cc(c(cc1N)O)C(=O)O B23289 [0,1,0,0,0,1|2,0,0]=4 470 B11R1.166 c1cc(c(cc1O)O)C(=O)O A13545 [0,1,0,0,0,1|2,0,0]=4 471 B11R1.166 c1cc(nc(c1C(=O)O)Cl)Cl L20002 [0,1,0,0,0,1|1,0,0]=3 472 B11R1.166 c1cc(nc(c1C(=O)O)F)Cl H66484 [0,1,0,0,0,1|1,0,0]=3 473 B11R1.23 CCC(=O)c1cccc(c1)Cl A12542 [0,1,0,0,0,1|2,0,0]=4 474 B11R1.23 CNC(=O)c1cc(ccn1)Cl H50535 [0,1,0,0,0,1|2,0,0]=4 475 B11R1.23 CNC(=O)c1cccc(c1)Cl H56565 [0,1,0,0,0,1|2,0,0]=4 476 B11R1.23 CNC(=O)c1ccnc(c1)Cl H57458 [0,1,0,0,0,1|2,0,0]=4 477 B11R1.23 COC(=O)c1cc(ccn1)Br H64327 [0,1,0,0,0,1|1,1,0]=4 478 B11R1.23 COC(=O)c1cc(ccn1)Cl H60532 [0,1,0,0,0,1|1,0,0]=3 479 B11R1.23 COC(=O)c1cc(cnc1)Br B20908 [0,1,0,0,0,1|1,1,0]=4 480 B11R1.23 COC(=O)c1cccc(c1)Br A16174 [0,1,0,0,0,1|1,1,0]=4 481 B11R1.23 COC(=O)c1cccc(c1)Cl B21371 [0,1,0,0,0,1|1,0,0]=3 482 B11R1.23 COC(=O)c1cccc(c1)N A14766 [0,1,0,0,0,1|2,0,0]=4 483 B11R1.23 COC(=O)c1cccc(c1)O A14425 [0,1,0,0,0,1|2,0,0]=4 484 B11R1.23 COC(=O)c1cccc(n1)Cl H64023 [0,1,0,0,0,1|1,0,0]=3 485 B11R1.23 COC(=O)c1ccnc(c1)N L19869 [0,1,0,0,0,1|2,0,0]=4 486 B11R1.23 COC(=O)c1cncc(n1)Cl H66682 [0,1,0,0,0,1|1,0,0]=3 487 B11R1.23 Cc1cc(cnc1)C(=O)OC L16371 [0,1,0,0,0,1|2,0,0]=4 488 B11R1.23 Cc1cccc(c1)C(=O)OC A10893 [0,1,0,0,0,1|2,0,0]=4 489 B11R1.23 Cc1cccc(n1)C(=O)OC H33571 [0,1,0,0,0,1|2,0,0]=4 490 B11R1.23 c1cc(cc(c1)Cl)C(=O)CBr H66077 [0,1,0,0,0,1|2,0,0]=4 491 B11R1.23 c1cc(cc(c1)Cl)C(=O)NN L01071 [0,1,0,0,0,1|2,0,0]=4 492 B11R1.23 c1cc(cc(c1)Cl)C(=O)OO L00286 [0,1,0,0,0,1|1,0,0]=3 493 B11R1.23 c1cnc(cc1\C(=N\O)\N)Cl H65100 [0,1,0,0,0,1|2,0,0]=4 494 B11R1.74 CC(=O)c1cc(cc(c1)Cl)F H26808 [0,1,0,0,0,1|2,0,0]=4 495 B11R1.74 Cc1cc(cc(c1)C(=O)O)C A11198 [0,1,0,0,0,1|2,0,0]=4 496 B11R1.74 Cc1cc(cc(c1)F)C(=O)O H26677 [0,1,0,0,0,1|1,1,0]=4 497 B11R1.74 Cc1cc(cc(n1)Cl)C(=O)O L10544 [0,1,0,0,0,1|1,0,0]=3 498 B11R1.74 Cc1cc(cc(n1)O)C(=O)O H27716 [0,1,0,0,0,1|2,0,0]=4 499 B11R1.74 Cc1cc(nc(c1)Cl)C(=O)O H63584 [0,1,0,0,0,1|1,0,0]=3 500 B11R1.74 c1c([nH]c(=O)[nH]c1=O)C(=O)O A18594 [0,1,0,0,0,1|2,0,0]=4 501 B11R1.74 c1c([nH]c(=O)[nH]c1=O)C(=O)O B25349 [0,1,0,0,0,1|2,0,0]=4 502 B11R1.74 c1c(cc(cc1Br)Br)C(=O)O A16654 [0,1,0,0,0,1|1,1,0]=4 503 B11R1.74 c1c(cc(cc1Br)I)C(=O)O A17076 [0,1,0,0,0,1|1,1,0]=4 504 B11R1.74 c1c(cc(cc1Cl)Cl)C(=O)Cl B24676 [0,1,0,0,0,1|2,0,0]=4 505 B11R1.74 c1c(cc(cc1Cl)Cl)C(=O)N B21959 [0,1,0,0,0,1|2,0,0]=4 506 B11R1.74 c1c(cc(cc1Cl)Cl)C(=O)O A15168 [0,1,0,0,0,1|1,0,0]=3 507 B11R1.74 c1c(cc(cc1F)Br)C(=O)O H32692 [0,1,0,0,0,1|1,1,0]=4 508 B11R1.74 c1c(cc(cc1F)Cl)C(=O)O H26567 [0,1,0,0,0,1|1,0,0]=3 509 B11R1.74 c1c(cc(cc1F)F)C(=O)O A17033 [0,1,0,0,0,1|1,1,0]=4 510 B11R1.74 c1c(cc(cc1N)F)C(=O)O H63501 [0,1,0,0,0,1|1,1,0]=4 511 B11R1.74 c1c(cc(cc1N)N)C(=O)O A14075 [0,1,0,0,0,1|2,0,0]=4 512 B11R1.74 c1c(cc(cc1O)O)C(=O)O A11664 [0,1,0,0,0,1|2,0,0]=4 513 B11R1.74 c1c(cc(nc1Cl)Cl)C(=O)O B20541 [0,1,0,0,0,1|1,0,0]=3 514 B11R1.74 c1c(cc(nc1O)O)C(=O)O A15461 [0,1,0,0,0,1|2,0,0]=4 515 B11R1.74 c1c(nc(nc1Cl)Cl)C(=O)O H54596 [0,1,0,0,0,1|1,0,0]=3 516 B11R1.159 CC(=O)c1cccc(c1Cl)Cl A12667 [0,1,0,0,0,1|2,0,0]=4 517 B11R1.159 CC(=O)c1cccc(c1F)Cl H26474 [0,1,0,0,0,1|2,0,0]=4 518 B11R1.159 Cc1c(cccc1Br)C(=O)O H55436 [0,1,0,0,0,1|1,1,0]=4 519 B11R1.159 Cc1c(cccc1Cl)C(=O)O L15773 [0,1,0,0,0,1|1,0,0]=3 520 B11R1.159 Cc1c(cccc1F)C(=O)O H31887 [0,1,0,0,0,1|1,1,0]=4 521 B11R1.159 Cc1c(cccc1N)C(=O)O B24947 [0,1,0,0,0,1|2,0,0]=4 522 B11R1.159 Cc1c(cccc1O)C(=O)O L13743 [0,1,0,0,0,1|2,0,0]=4 523 B11R1.159 Cc1cccc(c1Br)C(=O)O H32490 [0,1,0,0,0,1|2,0,0]=4 524 B11R1.159 Cc1cccc(c1C)C(=O)O A10383 [0,1,0,0,0,1|2,0,0]=4 525 B11R1.159 Cc1cccc(c1F)C(=O)O A12280 [0,1,0,0,0,1|2,0,0]=4 526 B11R1.159 Cc1cccc(c1I)C(=O)O L19876 [0,1,0,0,0,1|2,0,0]=4 527 B11R1.159 Cc1cccc(c1N)C(=O)O B24230 [0,1,0,0,0,1|2,0,0]=4 528 B11R1.159 Cc1cccc(c1O)C(=O)O L15825 [0,1,0,0,0,1|2,0,0]=4 529 B11R1.159 c1cc(c(c(c1)Br)F)C(=O)O H50235 [0,1,0,0,0,1|1,1,0]=4 530 B11R1.159 c1cc(c(c(c1)Br)N)C(=O)O H61925 [0,1,0,0,0,1|1,1,0]=4 531 B11R1.159 c1cc(c(c(c1)Cl)Cl)C(=O)Cl L09506 [0,1,0,0,0,1|2,0,0]=4 532 B11R1.159 c1cc(c(c(c1)Cl)Cl)C(=O)N A17265 [0,1,0,0,0,1|2,0,0]=4 533 B11R1.159 c1cc(c(c(c1)Cl)Cl)C(=O)O A10522 [0,1,0,0,0,1|1,0,0]=3 534 B11R1.159 c1cc(c(c(c1)Cl)F)C(=O)Cl B23849 [0,1,0,0,0,1|2,0,0]=4 535 B11R1.159 c1cc(c(c(c1)Cl)F)C(=O)N B24162 [0,1,0,0,0,1|2,0,0]=4 536 B11R1.159 c1cc(c(c(c1)Cl)F)C(=O)O B20603 [0,1,0,0,0,1|1,0,0]=3 537 B11R1.159 c1cc(c(c(c1)Cl)N)C(=O)O H66261 [0,1,0,0,0,1|1,0,0]=3 538 B11R1.159 c1cc(c(c(c1)F)Br)C(=O)O H26242 [0,1,0,0,0,1|1,1,0]=4 539 B11R1.159 c1cc(c(c(c1)F)Cl)C(=O)O H31761 [0,1,0,0,0,1|1,1,0]=4 540 B11R1.159 c1cc(c(c(c1)F)F)C(=O)O A16717 [0,1,0,0,0,1|1,1,0]=4 541 B11R1.159 c1cc(c(c(c1)F)O)C(=O)O H26163 [0,1,0,0,0,1|1,1,0]=4 542 B11R1.159 c1cc(c(c(c1)N)O)C(=O)O B22478 [0,1,0,0,0,1|2,0,0]=4 543 B11R1.159 c1cc(c(c(c1)O)O)C(=O)O A10144 [0,1,0,0,0,1|2,0,0]=4 544 B11R1.159 c1cnc(c(c1C(=O)O)Br)Br H31708 [0,1,0,0,0,1|1,1,0]=4 545 B11R1.159 c1cnc(c(c1C(=O)O)Cl)Cl H63733 [0,1,0,0,0,1|1,0,0]=3 546 B11R1.159 c1cnc(c(c1C(=O)O)F)Br H64290 [0,1,0,0,0,1|1,1,0]=4 547 B11R1.159 c1cnc(c(c1C(=O)O)F)Cl L20024 [0,1,0,0,0,1|1,0,0]=3 548 B11R1.159 c1cnc(c(c1C(=O)O)F)F H33463 [0,1,0,0,0,1|1,1,0]=4 549 B11R1.167 CC(=O)c1cc(ccc1Cl)Cl A13770 [0,1,0,0,0,1|2,0,0]=4 550 B11R1.167 CC(=O)c1cc(ccc1O)Cl A15448 [0,1,0,0,0,1|2,0,0]=4 551 B11R1.167 Cc1ccc(c(c1)C(=O)O)Br H32927 [0,1,0,0,0,1|2,0,0]=4 552 B11R1.167 Cc1ccc(c(c1)C(=O)O)C A15352 [0,1,0,0,0,1|2,0,0]=4 553 B11R1.167 Cc1ccc(c(c1)C(=O)O)Cl B25347 [0,1,0,0,0,1|2,0,0]=4 554 B11R1.167 Cc1ccc(c(c1)C(=O)O)F H26094 [0,1,0,0,0,1|2,0,0]=4 555 B11R1.167 Cc1ccc(c(c1)C(=O)O)N L01513 [0,1,0,0,0,1|2,0,0]=4 556 B11R1.167 Cc1ccc(c(c1)C(=O)O)O B20040 [0,1,0,0,0,1|2,0,0]=4 557 B11R1.167 Cc1ccc(cc1C(=O)O)Br H60516 [0,1,0,0,0,1|1,1,0]=4 558 B11R1.167 Cc1ccc(cc1C(=O)O)Cl H60649 [0,1,0,0,0,1|1,0,0]=3 559 B11R1.167 Cc1ccc(cc1C(=O)O)F A10476 [0,1,0,0,0,1|1,1,0]=4 560 B11R1.167 Cc1ccc(cc1C(=O)O)N H60078 [0,1,0,0,0,1|2,0,0]=4 561 B11R1.167 Cc1ccc(cc1C(=O)O)O H60774 [0,1,0,0,0,1|2,0,0]=4 562 B11R1.167 c1c(c(cnc1Cl)Cl)C(=O)O H58277 [0,1,0,0,0,1|1,0,0]=3 563 B11R1.167 c1c(c(nnc1Cl)Cl)C(=O)O L10418 [0,1,0,0,0,1|2,0,0]=4 564 B11R1.167 c1c(cnc(c1C(=O)O)Cl)Br H61154 [0,1,0,0,0,1|1,1,0]=4 565 B11R1.167 c1c(cnc(c1C(=O)O)Cl)Cl H64998 [0,1,0,0,0,1|1,0,0]=3 566 B11R1.167 c1c(cnc(c1C(=O)O)O)Cl B20706 [0,1,0,0,0,1|1,0,0]=3 567 B11R1.167 c1c(nc(c(n1)N)C(=O)O)Br H66908 [0,1,0,0,0,1|1,1,0]=4 568 B11R1.167 c1cc(c(cc1Br)C(=O)O)Br A15077 [0,1,0,0,0,1|1,1,0]=4 569 B11R1.167 c1cc(c(cc1Br)C(=O)O)Cl A12218 [0,1,0,0,0,1|1,1,0]=4 570 B11R1.167 c1cc(c(cc1Br)C(=O)O)F H60595 [0,1,0,0,0,1|1,1,0]=4 571 B11R1.167 c1cc(c(cc1Br)C(=O)O)I H64643 [0,1,0,0,0,1|1,1,0]=4 572 B11R1.167 c1cc(c(cc1Br)C(=O)O)N A11915 [0,1,0,0,0,1|1,1,0]=4 573 B11R1.167 c1cc(c(cc1Br)C(=O)O)O B20338 [0,1,0,0,0,1|1,1,0]=4 574 B11R1.167 c1cc(c(cc1Cl)C(=O)Cl)F B23273 [0,1,0,0,0,1|2,0,0]=4 575 B11R1.167 c1cc(c(cc1Cl)C(=O)N)Cl B25097 [0,1,0,0,0,1|2,0,0]=4 576 B11R1.167 c1cc(c(cc1Cl)C(=O)N)F B24623 [0,1,0,0,0,1|2,0,0]=4 577 B11R1.167 c1cc(c(cc1Cl)C(=O)N)N A11153 [0,1,0,0,0,1|2,0,0]=4 578 B11R1.167 c1cc(c(cc1Cl)C(=O)N)O L17897 [0,1,0,0,0,1|2,0,0]=4 579 B11R1.167 c1cc(c(cc1Cl)C(=O)O)Br A10103 [0,1,0,0,0,1|1,0,0]=3 580 B11R1.167 c1cc(c(cc1Cl)C(=O)O)Cl A16108 [0,1,0,0,0,1|1,0,0]=3 581 B11R1.167 c1cc(c(cc1Cl)C(=O)O)F B23776 [0,1,0,0,0,1|1,0,0]=3 582 B11R1.167 c1cc(c(cc1Cl)C(=O)O)N A14329 [0,1,0,0,0,1|1,0,0]=3 583 B11R1.167 c1cc(c(cc1Cl)C(=O)O)O B23984 [0,1,0,0,0,1|1,0,0]=3 584 B11R1.167 c1cc(c(cc1F)C(=O)O)Br B25394 [0,1,0,0,0,1|1,1,0]=4 585 B11R1.167 c1cc(c(cc1F)C(=O)O)Cl H26462 [0,1,0,0,0,1|1,1,0]=4 586 B11R1.167 c1cc(c(cc1F)C(=O)O)F A10503 [0,1,0,0,0,1|1,1,0]=4 587 B11R1.167 c1cc(c(cc1F)C(=O)O)I H60937 [0,1,0,0,0,1|1,1,0]=4 588 B11R1.167 c1cc(c(cc1F)C(=O)O)N B21458 [0,1,0,0,0,1|1,1,0]=4 589 B11R1.167 c1cc(c(cc1F)C(=O)O)O B21751 [0,1,0,0,0,1|1,1,0]=4 590 B11R1.167 c1cc(c(cc1I)C(=O)O)Br L19247 [0,1,0,0,0,1|1,1,0]=4 591 B11R1.167 c1cc(c(cc1I)C(=O)O)Cl L20161 [0,1,0,0,0,1|1,1,0]=4 592 B11R1.167 c1cc(c(cc1I)C(=O)O)F H26175 [0,1,0,0,0,1|1,1,0]=4 593 B11R1.167 c1cc(c(cc1I)C(=O)O)N A19838 [0,1,0,0,0,1|1,1,0]=4 594 B11R1.167 c1cc(c(cc1I)C(=O)O)O B21291 [0,1,0,0,0,1|1,1,0]=4 595 B11R1.167 c1cc(c(cc1N)C(=O)O)Br H60382 [0,1,0,0,0,1|2,0,0]=4 596 B11R1.167 c1cc(c(cc1N)C(=O)O)Cl L14501 [0,1,0,0,0,1|2,0,0]=4 597 B11R1.167 c1cc(c(cc1N)C(=O)O)F H26162 [0,1,0,0,0,1|2,0,0]=4 598 B11R1.167 c1cc(c(cc1N)C(=O)O)O B23970 [0,1,0,0,0,1|2,0,0]=4 599 B11R1.167 c1cc(c(cc1O)C(=O)O)Cl H26112 [0,1,0,0,0,1|2,0,0]=4 600 B11R1.167 c1cc(c(cc1O)C(=O)O)F H26150 [0,1,0,0,0,1|2,0,0]=4 601 B11R1.167 c1cc(c(cc1O)C(=O)O)N L08256 [0,1,0,0,0,1|2,0,0]=4 602 B11R1.167 c1cc(c(cc1O)C(=O)O)O A11459 [0,1,0,0,0,1|2,0,0]=4 603 B11R1.167 c1cc(nc(c1Cl)C(=O)O)Cl H27146 [0,1,0,0,0,1|1,0,0]=3 604 B11R1.266 C=Cc1cccc(c1)C(=O)O H32556 [0,1,0,0,0,1|2,0,0]=4 605 B11R1.266 COc1cccc(c1)C(=O)O A10767 [0,1,0,0,0,1|2,0,0]=4 606 B11R1.266 COc1cccc(n1)C(=O)O H59652 [0,1,0,0,0,1|2,0,0]=4 607 B11R1.266 CSc1cccc(c1)C(=O)O H27200 [0,1,0,0,0,1|2,0,0]=4 608 B11R1.266 c1cc(cc(c1)C(=O)Cl)CCl L15719 [0,1,0,0,0,1|2,0,0]=4 609 B11R1.266 c1cc(cc(c1)C(=O)O)C#N B23836 [0,1,0,0,0,1|2,0,0]=4 610 B11R1.266 c1cc(cc(c1)C(=O)O)C=O B21277 [0,1,0,0,0,1|2,0,0]=4 611 B11R1.266 c1cc(cc(c1)C(=O)O)CCl H60854 [0,1,0,0,0,1|1,0,0]=3 612 B11R1.266 c1cc(cc(c1)C(=O)O)CN H64546 [0,1,0,0,0,1|2,0,0]=4 613 B11R1.266 c1cc(cc(c1)NN)C(=O)O B21462 [0,1,0,0,0,1|2,0,0]=4 614 B11R1.266 c1cnc(cc1C#N)C(=O)O H34233 [0,1,0,0,0,1|2,0,0]=4 615 B11R1.266 c1cnc(cc1CO)C(=O)O H32921 [0,1,0,0,0,1|2,0,0]=4 616 B11R1.15 CCOC(=O)c1ccc(o1)Br H52343 [0,2,0,0,0,0|0,2,0]=4 617 B11R1.15 CCOC(=O)c1ccc(s1)Br B22355 [0,2,0,0,0,0|0,1,0]=3 618 B11R1.15 CCOC(=O)c1ccc(s1)Cl L06385 [0,2,0,0,0,0|0,0,0]=2 619 B11R1.15 CCOC(=O)c1cnc(s1)Br H55109 [0,2,0,0,0,0|1,1,0]=4 620 B11R1.15 CCOC(=O)c1cnc(s1)N H31769 [0,2,0,0,0,0|2,0,0]=4 621 B11R1.15 CCOC(=O)c1coc(n1)Cl H31521 [0,2,0,0,0,0|2,0,0]=4 622 B11R1.225 COC(=O)c1cc(sc1Cl)Cl L08118 [0,2,0,0,0,0|2,0,0]=4 623 B11R1.225 Cc1cc(c(s1)C(=O)OC)N H63719 [0,2,0,0,0,0|1,0,0]=3 624 B11R1.226 COC(=O)c1cc(c(s1)Br)Br H32113 [0,2,0,0,0,0|0,1,0]=3 625 B11R1.124 COCc1ccc(o1)C(=O)O H50314 [0,2,0,0,0,0|1,1,0]=4 626 B11R1.175 B(c1ccc(s1)C(=O)C)(O)O L15221 [0,2,0,0,0,0|2,0,0]=4 627 B11R1.175 CC(=O)c1ccc(s1)C(=O)O L13588 [0,2,0,0,0,0|1,0,0]=3 628 B11R1.175 c1cc(oc1C(=O)O)C(=O)O H28718 [0,2,0,0,0,0|1,1,0]=4 629 B11R1.175 c1cc(oc1C(=O)O)[N+](=O)[O-] A10597 [0,2,0,0,0,0|1,1,0]=4 630 B11R1.175 c1cc(sc1C(=O)O)C(=O)O L10293 [0,2,0,0,0,0|1,0,0]=3 631 B11R1.175 c1cc(sc1C(=O)O)[N+](=O)[O-] H64821 [0,2,0,0,0,0|1,0,0]=3 632 B11R1.79 c1c(c(sc1S(=O)(=O)Cl)Cl)Cl L11780 [0,2,0,0,0,0|1,0,1]=4 633 B11R1.672 c1(c(c(sc1C(=O)Cl)Cl)Cl)Cl L17704 [0,2,0,0,0,0|1,0,0]=3 634 B11R1.672 c1(c(c(sc1C(=O)O)Cl)Cl)Cl L17750 [0,2,0,0,0,0|0,0,0]=2 635 B9R1.6 c1cc(cnc1)C(=O)O A12683 [0,0,1,1,0,0|2,0,0]=4 636 B9R1.6 c1cc(nnc1)C(=O)O H34341 [0,0,1,1,0,0|2,0,0]=4 637 B9R1.6 c1ccc(cc1)C(=O)O 36230 [0,0,1,1,0,0|2,0,0]=4 638 B9R1.6 c1ccc(cc1)C(=O)O A14062 [0,0,1,1,0,0|2,0,0]=4 639 B9R1.6 c1ccc(cc1)C(=O)O H25864 [0,0,1,1,0,0|2,0,0]=4 640 B9R1.6 c1ccc(cc1)C(=O)O L19473 [0,0,1,1,0,0|2,0,0]=4 641 B9R1.6 c1ccnc(c1)C(=O)O A14749 [0,0,1,1,0,0|2,0,0]=4 642 B9R1.69 Cc1ccc(cc1O)Cl B25527 [0,0,1,1,0,0|2,0,0]=4 643 B9R1.69 c1cc(c(cc1Cl)Cl)S A12384 [0,0,1,1,0,0|2,0,0]=4 644 B9R1.69 c1cc(c(cc1Cl)N)S B25640 [0,0,1,1,0,0|2,0,0]=4 645 B9R1.69 c1cc(c(cc1Cl)O)Cl B24787 [0,0,1,1,0,0|2,0,0]=4 646 B9R1.69 c1cc(c(cc1Cl)O)N H64978 [0,0,1,1,0,0|2,0,0]=4 647 B7R0.16 C(=C(Cl)Cl)(C(=O)O)Cl A12299 [0,0,1,0,1,0|2,0,0]=4 648 B9R0.55 C(=C\C(=O)O)/C=C/C(=O)O L03987 [0,0,1,0,0,1|1,1,0]=4 649 B9R1.2 C=Cc1cccc(c1)Cl B23806 [1,0,0,0,0,1|2,0,0]=4 650 B9R1.2 Cc1cccc(c1)C=O A15313 [1,0,0,0,0,1|2,0,0]=4 651 B9R1.2 Cc1cccc(n1)C=O H26841 [1,0,0,0,0,1|2,0,0]=4 652 B9R1.2 c1c(cncc1Br)C=O H59224 [1,0,0,0,0,1|1,1,0]=4 653 B9R1.2 c1cc(cc(c1)Br)C=O A11941 [1,0,0,0,0,1|1,1,0]=4 654 B9R1.2 c1cc(cc(c1)Cl)C=O A13254 [1,0,0,0,0,1|1,0,0]=3 655 B9R1.2 c1cc(cc(c1)Cl)CO A11841 [1,0,0,0,0,1|1,0,1]=4 656 B9R1.2 c1cc(cc(c1)F)C=O A11396 [1,0,0,0,0,1|1,1,0]=4 657 B9R1.2 c1cc(cc(c1)I)C=O L17447 [1,0,0,0,0,1|1,1,0]=4 658 B9R1.2 c1cc(cc(c1)O)C=O A13541 [1,0,0,0,0,1|2,0,0]=4 659 B9R1.2 c1cc(nc(c1)Br)C=O L19518 [1,0,0,0,0,1|1,1,0]=4 660 B9R1.2 c1cc(nc(c1)Cl)C=O H64129 [1,0,0,0,0,1|1,0,0]=3 661 B9R1.2 c1cnc(cc1C=O)Br L19852 [1,0,0,0,0,1|1,1,0]=4 662 B9R1.2 c1cnc(cc1C=O)Cl H50098 [1,0,0,0,0,1|1,0,0]=3 663 B9R1.2 c1cnc(cc1CO)Cl H50099 [1,0,0,0,0,1|1,0,1]=4 664 B9R1.13 CC(=O)Cc1ccco1 B22171 [1,0,0,0,0,1|1,1,0]=4 665 B9R1.13 CC(=O)Nc1nccs1 B23873 [1,0,0,0,0,1|2,0,0]=4 666 B9R1.13 c1c(nc[nH]1)CC(=O)O B22473 [1,0,0,0,0,1|2,0,0]=4 667 B9R1.13 c1cc(sc1)CC(=O)Cl L09323 [1,0,0,0,0,1|1,0,0]=3 668 B9R1.13 c1cc(sc1)CC(=O)N L19221 [1,0,0,0,0,1|1,0,0]=3 669 B9R1.13 c1cc(sc1)CC(=O)O A10394 [1,0,0,0,0,1|0,0,0]=2 670 B9R1.13 c1cc(sc1)CC(=S)N H58178 [1,0,0,0,0,1|1,1,0]=4 671 B9R1.13 c1cscc1CC(=O)O A10700 [1,0,0,0,0,1|2,0,0]=4 672 B11R1.20 CC(=O)Nc1ccc(cc1)Cl A11214 [0,0,0,0,0,2|2,0,0]=4 673 B11R1.20 Cc1ccc(cc1)CC(=O)O A15129 [0,0,0,0,0,2|2,0,0]=4 674 B11R1.20 c1cc(ccc1CC(=O)Cl)Cl A12530 [0,0,0,0,0,2|2,0,0]=4 675 B11R1.20 c1cc(ccc1CC(=O)O)Br A15325 [0,0,0,0,0,2|1,1,0]=4 676 B11R1.20 c1cc(ccc1CC(=O)O)Cl A14974 [0,0,0,0,0,2|1,0,0]=3 677 B11R1.20 c1cc(ccc1CC(=O)O)F A10646 [0,0,0,0,0,2|1,1,0]=4 678 B11R1.20 c1cc(ccc1CC(=O)O)I L13345 [0,0,0,0,0,2|1,1,0]=4 679 B11R1.20 c1cc(ccc1CC(=O)O)N A14675 [0,0,0,0,0,2|2,0,0]=4 680 B11R1.20 c1cc(ccc1CC(=O)O)O A15018 [0,0,0,0,0,2|2,0,0]=4 681 B11R1.20 c1cc(ccc1CC(=O)O)S H27658 [0,0,0,0,0,2|2,0,0]=4 682 B11R1.20 c1cc(ccc1NC(=O)N)Cl B25090 [0,0,0,0,0,2|2,0,0]=4 683 B11R1.20 c1cc(ccc1OC(=O)Cl)Cl 31175 [0,0,0,0,0,2|2,0,0]=4 684 B11R1.20 c1cc(ncc1Br)CC(=O)O H33181 [0,0,0,0,0,2|1,1,0]=4 685 B11R1.20 c1cc(ncc1CC(=O)O)Cl H27966 [0,0,0,0,0,2|1,0,0]=3 686 B11R1.157 CC(=O)Nc1cccc(c1)Cl A14921 [0,0,0,0,0,2|2,0,0]=4 687 B11R1.157 Cc1cccc(c1)CC(=O)O A17743 [0,0,0,0,0,2|2,0,0]=4 688 B11R1.157 c1c(cncc1Br)CC(=O)O L13579 [0,0,0,0,0,2|1,1,0]=4 689 B11R1.157 c1cc(cc(c1)Br)CC(=O)O B20758 [0,0,0,0,0,2|1,1,0]=4 690 B11R1.157 c1cc(cc(c1)Cl)CC(=O)O A11210 [0,0,0,0,0,2|1,0,0]=3 691 B11R1.157 c1cc(cc(c1)F)CC(=O)O A15635 [0,0,0,0,0,2|1,1,0]=4 692 B11R1.157 c1cc(cc(c1)I)CC(=O)O L15117 [0,0,0,0,0,2|1,1,0]=4 693 B11R1.157 c1cc(cc(c1)O)CC(=O)O B23563 [0,0,0,0,0,2|2,0,0]=4