0 B9R1.6 B(c1ccccc1)(Cl)Cl 32583 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.6 B(c1ccccc1)(O)O A14257 [0,0,0,0,0,0|3,0,1]=4 2 B9R1.6 B(c1ccccc1)(O)O L19459 [0,0,0,0,0,0|3,0,1]=4 3 B9R1.6 B(c1cccnc1)(O)O L15040 [0,0,0,0,0,0|2,0,1]=3 4 B9R1.6 B(c1cncnc1)(O)O H29212 [0,0,0,0,0,0|3,0,1]=4 5 B9R1.6 B(c1cncnc1)(O)O H52984 [0,0,0,0,0,0|3,0,1]=4 6 B9R1.6 CC(=C)c1ccccc1 L03609 [0,0,0,0,0,0|2,0,0]=2 7 B9R1.6 CC(=O)c1ccccc1 A12727 [0,0,0,0,0,0|1,0,0]=1 8 B9R1.6 CC(=O)c1ccccn1 A12688 [0,0,0,0,0,0|2,0,0]=2 9 B9R1.6 CC(=O)c1cccnc1 A14246 [0,0,0,0,0,0|0,0,0]=0 10 B9R1.6 CC(=O)c1ccncc1 A12015 [0,0,0,0,0,0|2,0,0]=2 11 B9R1.6 CC(=O)c1ccnnc1 H66461 [0,0,0,0,0,0|1,0,0]=1 12 B9R1.6 CC(=O)c1cnccn1 A15917 [0,0,0,0,0,0|1,0,0]=1 13 B9R1.6 CC(C)c1ccccc1 A11864 [0,0,0,0,0,0|2,0,1]=3 14 B9R1.6 CC(C)c1cnccn1 A13891 [0,0,0,0,0,0|2,0,1]=3 15 B9R1.6 CC(c1ccccc1)Br A16839 [0,0,0,0,0,0|2,0,1]=3 16 B9R1.6 CC(c1ccccc1)N A15711 [0,0,0,0,0,0|2,0,1]=3 17 B9R1.6 CC(c1ccccc1)O A13837 [0,0,0,0,0,0|1,0,2]=3 18 B9R1.6 CC(c1ccccc1)S H26345 [0,0,0,0,0,0|1,1,1]=3 19 B9R1.6 CC(c1ccccc1)[Zn+] H58185 [0,0,0,0,0,0|2,0,1]=3 20 B9R1.6 CC(c1ccccn1)N H26046 [0,0,0,0,0,0|3,0,1]=4 21 B9R1.6 CC(c1cccnc1)N H26047 [0,0,0,0,0,0|1,0,1]=2 22 B9R1.6 CC(c1ccncc1)N H50303 [0,0,0,0,0,0|3,0,1]=4 23 B9R1.6 CC(c1ccncc1)O H58711 [0,0,0,0,0,0|2,0,2]=4 24 B9R1.6 CN(C)c1cc[nH+]cc1 H55010 [0,0,0,0,0,0|4,0,0]=4 25 B9R1.6 CN(C)c1ccccc1 A11916 [0,0,0,0,0,0|3,0,0]=3 26 B9R1.6 CN(C)c1ccccn1 L02513 [0,0,0,0,0,0|4,0,0]=4 27 B9R1.6 CN(C)c1ccncc1 A13016 [0,0,0,0,0,0|4,0,0]=4 28 B9R1.6 CN(C)c1ccncc1 H51715 [0,0,0,0,0,0|4,0,0]=4 29 B9R1.6 CN(c1ccccc1)N B22440 [0,0,0,0,0,0|3,0,0]=3 30 B9R1.6 CP(C)c1ccccc1 A17975 [0,0,0,0,0,0|3,0,0]=3 31 B9R1.6 CS(=O)c1ccccc1 A15009 [0,0,0,0,0,0|2,0,0]=2 32 B9R1.6 C[C@@H](c1ccccc1)N A12632 [0,0,0,0,0,0|2,0,1]=3 33 B9R1.6 C[C@@H](c1ccccc1)N L19118 [0,0,0,0,0,0|2,0,1]=3 34 B9R1.6 C[C@@H](c1ccccc1)O B21188 [0,0,0,0,0,0|1,0,2]=3 35 B9R1.6 C[C@H](c1ccccc1)N A10967 [0,0,0,0,0,0|2,0,1]=3 36 B9R1.6 C[C@H](c1ccccc1)N L19117 [0,0,0,0,0,0|2,0,1]=3 37 B9R1.6 C[C@H](c1ccccc1)O L19296 [0,0,0,0,0,0|1,0,2]=3 38 B9R1.6 C[C@H](c1ccncc1)O H51033 [0,0,0,0,0,0|2,0,2]=4 39 B9R1.6 C[SiH](C)c1ccccc1 L04558 [0,0,0,0,0,0|2,1,0]=3 40 B9R1.6 [2H]C(=O)c1ccccc1 H51103 [0,0,0,0,0,0|2,0,0]=2 41 B9R1.6 c1c(cncn1)C(=O)O H61406 [0,0,0,0,0,0|2,0,0]=2 42 B9R1.6 c1cc(cnc1)C(=N)N B20406 [0,0,0,0,0,0|2,0,0]=2 43 B9R1.6 c1cc(cnc1)C(=O)Cl A15317 [0,0,0,0,0,0|1,0,0]=1 44 B9R1.6 c1cc(cnc1)C(=O)N A15970 [0,0,0,0,0,0|1,0,0]=1 45 B9R1.6 c1cc(cnc1)C(=O)O A12683 [0,0,0,0,0,0|1,0,0]=1 46 B9R1.6 c1cc(cnc1)C(=O)[O-] B22224 [0,0,0,0,0,0|1,0,0]=1 47 B9R1.6 c1cc(cnc1)C(=S)N A11144 [0,0,0,0,0,0|1,1,0]=2 48 B9R1.6 c1cc(cnc1)C(F)F H33189 [0,0,0,0,0,0|2,0,1]=3 49 B9R1.6 c1cc(cnc1)[N+](=O)[O-] L19627 [0,0,0,0,0,0|2,0,0]=2 50 B9R1.6 c1cc(nnc1)C(=O)O H34341 [0,0,0,0,0,0|2,0,0]=2 51 B9R1.6 c1ccc(cc1)C(=N)N A16002 [0,0,0,0,0,0|3,0,0]=3 52 B9R1.6 c1ccc(cc1)C(=O)Cl A14107 [0,0,0,0,0,0|2,0,0]=2 53 B9R1.6 c1ccc(cc1)C(=O)Cl L19460 [0,0,0,0,0,0|2,0,0]=2 54 B9R1.6 c1ccc(cc1)C(=O)F L11464 [0,0,0,0,0,0|2,0,0]=2 55 B9R1.6 c1ccc(cc1)C(=O)N A10501 [0,0,0,0,0,0|2,0,0]=2 56 B9R1.6 c1ccc(cc1)C(=O)O 36230 [0,0,0,0,0,0|2,0,0]=2 57 B9R1.6 c1ccc(cc1)C(=O)O A14062 [0,0,0,0,0,0|2,0,0]=2 58 B9R1.6 c1ccc(cc1)C(=O)O H25864 [0,0,0,0,0,0|2,0,0]=2 59 B9R1.6 c1ccc(cc1)C(=O)O L19473 [0,0,0,0,0,0|2,0,0]=2 60 B9R1.6 c1ccc(cc1)C(=O)[O-] 11896 [0,0,0,0,0,0|2,0,0]=2 61 B9R1.6 c1ccc(cc1)C(=O)[O-] 30753 [0,0,0,0,0,0|2,0,0]=2 62 B9R1.6 c1ccc(cc1)C(=O)[O-] 87380 [0,0,0,0,0,0|2,0,0]=2 63 B9R1.6 c1ccc(cc1)C(=O)[O-] A11610 [0,0,0,0,0,0|2,0,0]=2 64 B9R1.6 c1ccc(cc1)C(=O)[O-] A12358 [0,0,0,0,0,0|2,0,0]=2 65 B9R1.6 c1ccc(cc1)C(=O)[O-] A15946 [0,0,0,0,0,0|2,0,0]=2 66 B9R1.6 c1ccc(cc1)C(=O)[O-] A16571 [0,0,0,0,0,0|2,0,0]=2 67 B9R1.6 c1ccc(cc1)C(=S)N A12973 [0,0,0,0,0,0|2,1,0]=3 68 B9R1.6 c1ccc(cc1)C(=S)O B24458 [0,0,0,0,0,0|2,0,1]=3 69 B9R1.6 c1ccc(cc1)C(=S)[O-] H61741 [0,0,0,0,0,0|2,0,1]=3 70 B9R1.6 c1ccc(cc1)P(=O)O A17453 [0,0,0,0,0,0|3,0,0]=3 71 B9R1.6 c1ccc(cc1)P(Cl)Cl A10284 [0,0,0,0,0,0|4,0,0]=4 72 B9R1.6 c1ccc(cc1)S(=O)[O-] A12118 [0,0,0,0,0,0|3,0,0]=3 73 B9R1.6 c1ccc(cc1)S(=O)[O-] A16614 [0,0,0,0,0,0|3,0,0]=3 74 B9R1.6 c1ccc(cc1)S(=O)[O-] B25576 [0,0,0,0,0,0|3,0,0]=3 75 B9R1.6 c1ccc(cc1)[N+](=O)[O-] A10585 [0,0,0,0,0,0|3,0,0]=3 76 B9R1.6 c1ccc(cc1)[SiH](Cl)Cl L04371 [0,0,0,0,0,0|3,1,0]=4 77 B9R1.6 c1ccnc(c1)C(=N)N A10942 [0,0,0,0,0,0|4,0,0]=4 78 B9R1.6 c1ccnc(c1)C(=O)N A15410 [0,0,0,0,0,0|3,0,0]=3 79 B9R1.6 c1ccnc(c1)C(=O)O A14749 [0,0,0,0,0,0|3,0,0]=3 80 B9R1.6 c1ccnc(c1)C(=S)N H51710 [0,0,0,0,0,0|3,1,0]=4 81 B9R1.6 c1ccnc(c1)[N+](=O)[O-] H33657 [0,0,0,0,0,0|4,0,0]=4 82 B9R1.6 c1cnc(cn1)C(=O)Cl H50418 [0,0,0,0,0,0|2,0,0]=2 83 B9R1.6 c1cnc(cn1)C(=O)O A13363 [0,0,0,0,0,0|2,0,0]=2 84 B9R1.6 c1cnc(cn1)C(=S)N H26750 [0,0,0,0,0,0|2,1,0]=3 85 B9R1.6 c1cnc(nc1)C(=O)O H54745 [0,0,0,0,0,0|4,0,0]=4 86 B9R1.6 c1cnccc1C(=N)N A11050 [0,0,0,0,0,0|4,0,0]=4 87 B9R1.6 c1cnccc1C(=O)Cl A10863 [0,0,0,0,0,0|3,0,0]=3 88 B9R1.6 c1cnccc1C(=O)N A18190 [0,0,0,0,0,0|3,0,0]=3 89 B9R1.6 c1cnccc1C(=O)O A18109 [0,0,0,0,0,0|3,0,0]=3 90 B9R1.6 c1cnccc1C(=S)N B25265 [0,0,0,0,0,0|3,1,0]=4 91 B9R1.6 c1cncnc1C(=O)O H60022 [0,0,0,0,0,0|4,0,0]=4 92 B9R1.6 c1cnncc1C(=O)O H27246 [0,0,0,0,0,0|2,0,0]=2 93 B8R1.2 C#Cc1ccccc1 A12139 [1,0,0,0,0,0|1,0,2]=4 94 B8R1.2 C#Cc1cccnc1 H53465 [1,0,0,0,0,0|0,0,2]=3 95 B8R1.2 C=Cc1ccccc1 16199 [1,0,0,0,0,0|1,0,1]=3 96 B8R1.2 C=Cc1ccccc1 A18481 [1,0,0,0,0,0|1,0,1]=3 97 B8R1.2 C=Cc1ccccn1 A14056 [1,0,0,0,0,0|2,0,1]=4 98 B8R1.2 C=Cc1ccncc1 H36621 [1,0,0,0,0,0|2,0,1]=4 99 B8R1.2 C=Cc1ccncc1 L13316 [1,0,0,0,0,0|2,0,1]=4 100 B8R1.2 C=Cc1cnccn1 A14007 [1,0,0,0,0,0|1,0,1]=3 101 B8R1.2 CC[n+]1ccccc1 A17911 [1,0,0,0,0,0|2,0,1]=4 102 B8R1.2 CCc1ccccc1 L05908 [1,0,0,0,0,0|1,0,1]=3 103 B8R1.2 CCc1ccccn1 A17352 [1,0,0,0,0,0|2,0,1]=4 104 B8R1.2 CCc1cccnc1 B20318 [1,0,0,0,0,0|0,0,1]=2 105 B8R1.2 CCc1ccncc1 A12883 [1,0,0,0,0,0|2,0,1]=4 106 B8R1.2 CCc1cnccn1 A12759 [1,0,0,0,0,0|1,0,1]=3 107 B8R1.2 CNc1ccccc1 L13873 [1,0,0,0,0,0|2,0,0]=3 108 B8R1.2 CNc1ccccn1 B23589 [1,0,0,0,0,0|3,0,0]=4 109 B8R1.2 CNc1cccnc1 H63602 [1,0,0,0,0,0|1,0,0]=2 110 B8R1.2 CNc1ccncc1 L19626 [1,0,0,0,0,0|3,0,0]=4 111 B8R1.2 COc1ccccc1 A12997 [1,0,0,0,0,0|2,0,0]=3 112 B8R1.2 COc1ccccn1 A13675 [1,0,0,0,0,0|3,0,0]=4 113 B8R1.2 COc1ccncc1 L19625 [1,0,0,0,0,0|3,0,0]=4 114 B8R1.2 COc1cnccn1 A10297 [1,0,0,0,0,0|2,0,0]=3 115 B8R1.2 CSc1ccccc1 A14846 [1,0,0,0,0,0|2,0,0]=3 116 B8R1.2 CSc1cnccn1 B25279 [1,0,0,0,0,0|2,0,0]=3 117 B8R1.2 C[NH2+]c1ccccc1 A17781 [1,0,0,0,0,0|2,0,0]=3 118 B8R1.2 [2H]Oc1ccccc1 H51100 [1,0,0,0,0,0|3,0,0]=4 119 B8R1.2 [C-]#Cc1ccccc1 17538 [1,0,0,0,0,0|1,0,2]=4 120 B8R1.2 c1c(cncn1)C=O H54448 [1,0,0,0,0,0|1,0,0]=2 121 B8R1.2 c1cc(cnc1)C#N A14850 [1,0,0,0,0,0|1,0,1]=3 122 B8R1.2 c1cc(cnc1)C=O A14607 [1,0,0,0,0,0|0,0,0]=1 123 B8R1.2 c1cc(cnc1)CCl A13279 [1,0,0,0,0,0|1,0,1]=3 124 B8R1.2 c1cc(cnc1)CN B23634 [1,0,0,0,0,0|1,0,1]=3 125 B8R1.2 c1cc(cnc1)CO A10381 [1,0,0,0,0,0|0,0,2]=3 126 B8R1.2 c1cc(nnc1)C#N H33568 [1,0,0,0,0,0|2,0,1]=4 127 B8R1.2 c1ccc(cc1)C#N 10004 [1,0,0,0,0,0|2,0,1]=4 128 B8R1.2 c1ccc(cc1)C#N 10006 [1,0,0,0,0,0|2,0,1]=4 129 B8R1.2 c1ccc(cc1)C#N A11173 [1,0,0,0,0,0|2,0,1]=4 130 B8R1.2 c1ccc(cc1)C=O 30749 [1,0,0,0,0,0|1,0,0]=2 131 B8R1.2 c1ccc(cc1)C=O A10348 [1,0,0,0,0,0|1,0,0]=2 132 B8R1.2 c1ccc(cc1)C=O L19475 [1,0,0,0,0,0|1,0,0]=2 133 B8R1.2 c1ccc(cc1)CBr A13535 [1,0,0,0,0,0|2,0,1]=4 134 B8R1.2 c1ccc(cc1)CCl A12481 [1,0,0,0,0,0|2,0,1]=4 135 B8R1.2 c1ccc(cc1)CN A10997 [1,0,0,0,0,0|2,0,1]=4 136 B8R1.2 c1ccc(cc1)CN L04102 [1,0,0,0,0,0|2,0,1]=4 137 B8R1.2 c1ccc(cc1)CN L19471 [1,0,0,0,0,0|2,0,1]=4 138 B8R1.2 c1ccc(cc1)CO 41218 [1,0,0,0,0,0|1,0,2]=4 139 B8R1.2 c1ccc(cc1)CO L03292 [1,0,0,0,0,0|1,0,2]=4 140 B8R1.2 c1ccc(cc1)CO L19592 [1,0,0,0,0,0|1,0,2]=4 141 B8R1.2 c1ccc(cc1)CS 44466 [1,0,0,0,0,0|1,1,1]=4 142 B8R1.2 c1ccc(cc1)CS B20081 [1,0,0,0,0,0|1,1,1]=4 143 B8R1.2 c1ccc(cc1)C[Mg+] 87299 [1,0,0,0,0,0|2,0,1]=4 144 B8R1.2 c1ccc(cc1)C[Mg+] H51154 [1,0,0,0,0,0|2,0,1]=4 145 B8R1.2 c1ccc(cc1)C[Zn+] H58014 [1,0,0,0,0,0|2,0,1]=4 146 B8R1.2 c1ccc(cc1)I=O B24531 [1,0,0,0,0,0|2,0,0]=3 147 B8R1.2 c1ccc(cc1)NN A11246 [1,0,0,0,0,0|3,0,0]=4 148 B8R1.2 c1ccc(cc1)NN A14645 [1,0,0,0,0,0|3,0,0]=4 149 B8R1.2 c1ccc(cc1)[As]=O A14674 [1,0,0,0,0,0|2,0,0]=3 150 B8R1.2 c1ccc(cc1)[Se]Br A11906 [1,0,0,0,0,0|3,0,0]=4 151 B8R1.2 c1ccc(cc1)[Se]Cl A12751 [1,0,0,0,0,0|3,0,0]=4 152 B8R1.2 c1ccnc(c1)C=O A11391 [1,0,0,0,0,0|2,0,0]=3 153 B8R1.2 c1cnc(cn1)C#N A10974 [1,0,0,0,0,0|2,0,1]=4 154 B8R1.2 c1cnc(cn1)NN H64086 [1,0,0,0,0,0|3,0,0]=4 155 B8R1.2 c1cnccc1C=O A10656 [1,0,0,0,0,0|2,0,0]=3 156 B10R1.13 B(c1ccc(nc1)Br)(O)O L20085 [0,1,0,0,0,0|2,0,1]=4 157 B10R1.13 B(c1ccc(nc1)C)(O)O H66327 [0,1,0,0,0,0|2,0,1]=4 158 B10R1.13 B(c1ccc(nc1)Cl)(O)O L20388 [0,1,0,0,0,0|2,0,1]=4 159 B10R1.13 B(c1ccc(nc1)F)(O)O L20387 [0,1,0,0,0,0|2,0,1]=4 160 B10R1.13 CC(=C)c1ccc(cc1)Cl A14913 [0,1,0,0,0,0|2,0,0]=3 161 B10R1.13 CC(=C)c1ccc(cc1)F A14147 [0,1,0,0,0,0|2,0,0]=3 162 B10R1.13 CC(=O)c1ccc(cc1)Br A12222 [0,1,0,0,0,0|1,0,0]=2 163 B10R1.13 CC(=O)c1ccc(cc1)Cl A12115 [0,1,0,0,0,0|1,0,0]=2 164 B10R1.13 CC(=O)c1ccc(cc1)F A13950 [0,1,0,0,0,0|1,0,0]=2 165 B10R1.13 CC(=O)c1ccc(cc1)I A16794 [0,1,0,0,0,0|1,0,0]=2 166 B10R1.13 CC(=O)c1ccc(cc1)N A13213 [0,1,0,0,0,0|1,0,0]=2 167 B10R1.13 CC(=O)c1ccc(cc1)O A11974 [0,1,0,0,0,0|1,0,0]=2 168 B10R1.13 CC(=O)c1ccc(nc1)Br H33204 [0,1,0,0,0,0|0,0,0]=1 169 B10R1.13 CC(C)c1ccc(cc1)Br A13370 [0,1,0,0,0,0|2,0,1]=4 170 B10R1.13 CC(C)c1ccc(cc1)I B25476 [0,1,0,0,0,0|2,0,1]=4 171 B10R1.13 CC(C)c1ccc(cc1)N A14646 [0,1,0,0,0,0|2,0,1]=4 172 B10R1.13 CC(C)c1ccc(cc1)O B22620 [0,1,0,0,0,0|2,0,1]=4 173 B10R1.13 CC(C)c1ccc(cc1)S A16038 [0,1,0,0,0,0|2,0,1]=4 174 B10R1.13 CC(C)c1ccc(cc1)[Mg+] H54594 [0,1,0,0,0,0|2,0,1]=4 175 B10R1.13 CC(c1ccc(cc1)Br)N L11848 [0,1,0,0,0,0|2,0,1]=4 176 B10R1.13 CC(c1ccc(cc1)Br)O B23561 [0,1,0,0,0,0|1,0,2]=4 177 B10R1.13 CC(c1ccc(cc1)Cl)O L05038 [0,1,0,0,0,0|1,0,2]=4 178 B10R1.13 CC(c1ccc(cc1)F)N L04575 [0,1,0,0,0,0|2,0,1]=4 179 B10R1.13 CC(c1ccc(cc1)F)O B22097 [0,1,0,0,0,0|1,0,2]=4 180 B10R1.13 CC(c1ccc(cc1)N)O L03341 [0,1,0,0,0,0|1,0,2]=4 181 B10R1.13 CC(c1ccc(cc1)O)N H63700 [0,1,0,0,0,0|2,0,1]=4 182 B10R1.13 CN(C)c1ccc(cc1)Br A10854 [0,1,0,0,0,0|3,0,0]=4 183 B10R1.13 CN(C)c1ccc(cc1)N A10343 [0,1,0,0,0,0|3,0,0]=4 184 B10R1.13 CN(C)c1ccc(cc1)N A14175 [0,1,0,0,0,0|3,0,0]=4 185 B10R1.13 CN(C)c1ccc(cc1)N A15962 [0,1,0,0,0,0|3,0,0]=4 186 B10R1.13 C[C@@H](c1ccc(cc1)Br)N L20080 [0,1,0,0,0,0|2,0,1]=4 187 B10R1.13 C[C@@H](c1ccc(cc1)Cl)N H66715 [0,1,0,0,0,0|2,0,1]=4 188 B10R1.13 C[C@@H](c1ccc(cc1)Cl)N L19052 [0,1,0,0,0,0|2,0,1]=4 189 B10R1.13 C[C@@H](c1ccc(cc1)F)N L19121 [0,1,0,0,0,0|2,0,1]=4 190 B10R1.13 C[C@@H](c1ccc(cc1)O)N H63269 [0,1,0,0,0,0|2,0,1]=4 191 B10R1.13 C[C@H](c1ccc(cc1)Br)N L20079 [0,1,0,0,0,0|2,0,1]=4 192 B10R1.13 C[C@H](c1ccc(cc1)Cl)N L19119 [0,1,0,0,0,0|2,0,1]=4 193 B10R1.13 C[C@H](c1ccc(cc1)F)N L19120 [0,1,0,0,0,0|2,0,1]=4 194 B10R1.13 C[C@H](c1ccc(cc1)O)N H63001 [0,1,0,0,0,0|2,0,1]=4 195 B10R1.13 Cc1ccc(cc1)C(=C)C H31739 [0,1,0,0,0,0|2,0,0]=3 196 B10R1.13 Cc1ccc(cc1)C(=O)C A14469 [0,1,0,0,0,0|1,0,0]=2 197 B10R1.13 Cc1ccc(cc1)C(=O)Cl A15581 [0,1,0,0,0,0|2,0,0]=3 198 B10R1.13 Cc1ccc(cc1)C(=O)N A11559 [0,1,0,0,0,0|2,0,0]=3 199 B10R1.13 Cc1ccc(cc1)C(=O)O A11506 [0,1,0,0,0,0|2,0,0]=3 200 B10R1.13 Cc1ccc(cc1)C(=S)N B20320 [0,1,0,0,0,0|2,1,0]=4 201 B10R1.13 Cc1ccc(cc1)C(C)C A19226 [0,1,0,0,0,0|2,0,1]=4 202 B10R1.13 Cc1ccc(cc1)C(C)O B20832 [0,1,0,0,0,0|1,0,2]=4 203 B10R1.13 Cc1ccc(cc1)N(C)C A11988 [0,1,0,0,0,0|3,0,0]=4 204 B10R1.13 Cc1ccc(cc1)S(=O)[O-] A11430 [0,1,0,0,0,0|3,0,0]=4 205 B10R1.13 Cc1ccc(cc1)[C@@H](C)N L16328 [0,1,0,0,0,0|2,0,1]=4 206 B10R1.13 Cc1ccc(cc1)[C@H](C)N L16329 [0,1,0,0,0,0|2,0,1]=4 207 B10R1.13 Cc1ccc(cc1)[N+](=O)[O-] A14398 [0,1,0,0,0,0|3,0,0]=4 208 B10R1.13 Cc1ccc(cn1)C(=O)C H27014 [0,1,0,0,0,0|0,0,0]=1 209 B10R1.13 Cc1ccc(cn1)C(=O)N A16039 [0,1,0,0,0,0|1,0,0]=2 210 B10R1.13 Cc1ccc(cn1)C(=O)O L08877 [0,1,0,0,0,0|1,0,0]=2 211 B10R1.13 Cc1ccc(cn1)[N+](=O)[O-] H61750 [0,1,0,0,0,0|2,0,0]=3 212 B10R1.13 Cc1cnc(cn1)C(=O)O A14011 [0,1,0,0,0,0|2,0,0]=3 213 B10R1.13 Cc1ncc(cn1)C(=O)O H64375 [0,1,0,0,0,0|2,0,0]=3 214 B10R1.13 c1c(cnc(n1)N)[N+](=O)[O-] 41495 [0,1,0,0,0,0|3,0,0]=4 215 B10R1.13 c1c(ncc(n1)Br)C(=O)O H66382 [0,1,0,0,0,0|2,0,0]=3 216 B10R1.13 c1c(ncc(n1)Cl)C(=O)O H32596 [0,1,0,0,0,0|2,0,0]=3 217 B10R1.13 c1c(ncc(n1)N)C(=O)O H66207 [0,1,0,0,0,0|2,0,0]=3 218 B10R1.13 c1c[n+](ccc1C(=O)O)[O-] L02425 [0,1,0,0,0,0|3,0,0]=4 219 B10R1.13 c1cc(=O)occ1C(=O)O B25521 [0,1,0,0,0,0|2,0,0]=3 220 B10R1.13 c1cc(ccc1C(=N)N)Br H37831 [0,1,0,0,0,0|3,0,0]=4 221 B10R1.13 c1cc(ccc1C(=N)N)Cl A11571 [0,1,0,0,0,0|3,0,0]=4 222 B10R1.13 c1cc(ccc1C(=N)N)F H61570 [0,1,0,0,0,0|3,0,0]=4 223 B10R1.13 c1cc(ccc1C(=N)N)N L14089 [0,1,0,0,0,0|3,0,0]=4 224 B10R1.13 c1cc(ccc1C(=N)N)O H31566 [0,1,0,0,0,0|3,0,0]=4 225 B10R1.13 c1cc(ccc1C(=O)Cl)Br L03794 [0,1,0,0,0,0|2,0,0]=3 226 B10R1.13 c1cc(ccc1C(=O)Cl)Cl A16325 [0,1,0,0,0,0|2,0,0]=3 227 B10R1.13 c1cc(ccc1C(=O)Cl)F A12946 [0,1,0,0,0,0|2,0,0]=3 228 B10R1.13 c1cc(ccc1C(=O)Cl)I B25388 [0,1,0,0,0,0|2,0,0]=3 229 B10R1.13 c1cc(ccc1C(=O)N)Br B24348 [0,1,0,0,0,0|2,0,0]=3 230 B10R1.13 c1cc(ccc1C(=O)N)Cl A13809 [0,1,0,0,0,0|2,0,0]=3 231 B10R1.13 c1cc(ccc1C(=O)N)F L06831 [0,1,0,0,0,0|2,0,0]=3 232 B10R1.13 c1cc(ccc1C(=O)N)N A12594 [0,1,0,0,0,0|2,0,0]=3 233 B10R1.13 c1cc(ccc1C(=O)N)O B24222 [0,1,0,0,0,0|2,0,0]=3 234 B10R1.13 c1cc(ccc1C(=O)O)Br A12518 [0,1,0,0,0,0|2,0,0]=3 235 B10R1.13 c1cc(ccc1C(=O)O)Cl A15135 [0,1,0,0,0,0|2,0,0]=3 236 B10R1.13 c1cc(ccc1C(=O)O)F A14129 [0,1,0,0,0,0|2,0,0]=3 237 B10R1.13 c1cc(ccc1C(=O)O)I A10730 [0,1,0,0,0,0|2,0,0]=3 238 B10R1.13 c1cc(ccc1C(=O)O)N A12673 [0,1,0,0,0,0|2,0,0]=3 239 B10R1.13 c1cc(ccc1C(=O)O)O A13700 [0,1,0,0,0,0|2,0,0]=3 240 B10R1.13 c1cc(ccc1C(=O)[O-])O H56590 [0,1,0,0,0,0|2,0,0]=3 241 B10R1.13 c1cc(ccc1C(=S)N)Br H55956 [0,1,0,0,0,0|2,1,0]=4 242 B10R1.13 c1cc(ccc1C(=S)N)Cl A12021 [0,1,0,0,0,0|2,1,0]=4 243 B10R1.13 c1cc(ccc1C(=S)N)F H32093 [0,1,0,0,0,0|2,1,0]=4 244 B10R1.13 c1cc(ccc1C(=S)N)N H51849 [0,1,0,0,0,0|2,1,0]=4 245 B10R1.13 c1cc(ccc1C(=S)N)O H32780 [0,1,0,0,0,0|2,1,0]=4 246 B10R1.13 c1cc(ccc1Cl)[Se](=O)O B21186 [0,1,0,0,0,0|3,0,0]=4 247 B10R1.13 c1cc(ccc1N)[N+](=O)[O-] A10369 [0,1,0,0,0,0|3,0,0]=4 248 B10R1.13 c1cc(ccc1S(=O)[O-])Br B20281 [0,1,0,0,0,0|3,0,0]=4 249 B10R1.13 c1cc(ccc1S(=O)[O-])Cl A12583 [0,1,0,0,0,0|3,0,0]=4 250 B10R1.13 c1cc(ccc1[N+](=O)[O-])Br A17705 [0,1,0,0,0,0|3,0,0]=4 251 B10R1.13 c1cc(ccc1[N+](=O)[O-])Cl A15396 [0,1,0,0,0,0|3,0,0]=4 252 B10R1.13 c1cc(ccc1[N+](=O)[O-])F A11057 [0,1,0,0,0,0|3,0,0]=4 253 B10R1.13 c1cc(ccc1[N+](=O)[O-])I B23950 [0,1,0,0,0,0|3,0,0]=4 254 B10R1.13 c1cc(ccc1[N+](=O)[O-])O A14376 [0,1,0,0,0,0|3,0,0]=4 255 B10R1.13 c1cc(ccc1[N+](=O)[O-])S H59240 [0,1,0,0,0,0|3,0,0]=4 256 B10R1.13 c1cc(ncc1Br)C(=O)Cl H61760 [0,1,0,0,0,0|3,0,0]=4 257 B10R1.13 c1cc(ncc1Br)C(=O)O B25675 [0,1,0,0,0,0|3,0,0]=4 258 B10R1.13 c1cc(ncc1C(=O)Cl)Cl A12354 [0,1,0,0,0,0|1,0,0]=2 259 B10R1.13 c1cc(ncc1C(=O)N)Cl B21922 [0,1,0,0,0,0|1,0,0]=2 260 B10R1.13 c1cc(ncc1C(=O)N)N L06692 [0,1,0,0,0,0|1,0,0]=2 261 B10R1.13 c1cc(ncc1C(=O)O)Br H27926 [0,1,0,0,0,0|1,0,0]=2 262 B10R1.13 c1cc(ncc1C(=O)O)Cl A15620 [0,1,0,0,0,0|1,0,0]=2 263 B10R1.13 c1cc(ncc1C(=O)O)F H55147 [0,1,0,0,0,0|1,0,0]=2 264 B10R1.13 c1cc(ncc1C(=O)O)N A11223 [0,1,0,0,0,0|1,0,0]=2 265 B10R1.13 c1cc(ncc1C(=O)O)O A15802 [0,1,0,0,0,0|1,0,0]=2 266 B10R1.13 c1cc(ncc1C(=S)N)N H51775 [0,1,0,0,0,0|1,1,0]=3 267 B10R1.13 c1cc(ncc1C(F)F)Br H34064 [0,1,0,0,0,0|2,0,1]=4 268 B10R1.13 c1cc(ncc1Cl)C(=O)O H30923 [0,1,0,0,0,0|3,0,0]=4 269 B10R1.13 c1cc(ncc1F)C(=O)O H32086 [0,1,0,0,0,0|3,0,0]=4 270 B10R1.13 c1cc(ncc1N)C(=O)O H27589 [0,1,0,0,0,0|3,0,0]=4 271 B10R1.13 c1cc(ncc1O)C(=O)O H64265 [0,1,0,0,0,0|3,0,0]=4 272 B10R1.13 c1cc(ncc1[N+](=O)[O-])Br L15661 [0,1,0,0,0,0|2,0,0]=3 273 B10R1.13 c1cc(ncc1[N+](=O)[O-])Cl A10709 [0,1,0,0,0,0|2,0,0]=3 274 B10R1.13 c1cc(ncc1[N+](=O)[O-])F H64210 [0,1,0,0,0,0|2,0,0]=3 275 B10R1.13 c1cc(ncc1[N+](=O)[O-])I H27103 [0,1,0,0,0,0|2,0,0]=3 276 B10R1.13 c1cc(ncc1[N+](=O)[O-])N A11352 [0,1,0,0,0,0|2,0,0]=3 277 B10R1.13 c1cc(ncc1[N+](=O)[O-])O A13921 [0,1,0,0,0,0|2,0,0]=3 278 B10R1.15 CC(C#N)c1ccccc1 A13636 [0,1,0,0,0,0|2,0,1]=4 279 B10R1.15 CC(C=O)c1ccccc1 B22436 [0,1,0,0,0,0|1,0,1]=3 280 B10R1.15 CC(CBr)c1ccccc1 L16267 [0,1,0,0,0,0|2,0,1]=4 281 B10R1.15 CC(CN)c1ccccc1 H36338 [0,1,0,0,0,0|2,0,1]=4 282 B10R1.15 CC(CO)c1ccccc1 B23473 [0,1,0,0,0,0|1,0,2]=4 283 B10R1.15 CCC(=O)c1ccccc1 A15140 [0,1,0,0,0,0|1,0,0]=2 284 B10R1.15 CCC(=O)c1cccnc1 L09711 [0,1,0,0,0,0|0,0,0]=1 285 B10R1.15 CCC(=O)c1ccncc1 L11552 [0,1,0,0,0,0|2,0,0]=3 286 B10R1.15 CCC(C)c1ccccc1 B22962 [0,1,0,0,0,0|2,0,1]=4 287 B10R1.15 CCC(c1ccccc1)O A10830 [0,1,0,0,0,0|1,0,2]=4 288 B10R1.15 CC[C@@H](c1ccccc1)N L16320 [0,1,0,0,0,0|2,0,1]=4 289 B10R1.15 CC[C@@H](c1ccccc1)O L06608 [0,1,0,0,0,0|1,0,2]=4 290 B10R1.15 CC[C@H](c1ccccc1)N L16319 [0,1,0,0,0,0|2,0,1]=4 291 B10R1.15 CC[C@H](c1ccccc1)O L05681 [0,1,0,0,0,0|1,0,2]=4 292 B10R1.15 CN(C=O)c1ccccc1 A11829 [0,1,0,0,0,0|2,0,0]=3 293 B10R1.15 CNC(=O)c1ccccc1 A18057 [0,1,0,0,0,0|1,0,0]=2 294 B10R1.15 COC(=O)c1ccccc1 44368 [0,1,0,0,0,0|1,0,0]=2 295 B10R1.15 COC(=O)c1ccccc1 A12404 [0,1,0,0,0,0|1,0,0]=2 296 B10R1.15 COC(=O)c1ccccn1 H54530 [0,1,0,0,0,0|2,0,0]=3 297 B10R1.15 COC(=O)c1cccnc1 B23908 [0,1,0,0,0,0|0,0,0]=1 298 B10R1.15 COC(=O)c1ccncc1 B23263 [0,1,0,0,0,0|2,0,0]=3 299 B10R1.15 COC(=O)c1ccnnc1 H27449 [0,1,0,0,0,0|1,0,0]=2 300 B10R1.15 COC(=O)c1cnccn1 A12028 [0,1,0,0,0,0|1,0,0]=2 301 B10R1.15 CSC(=N)c1ccccn1 H51786 [0,1,0,0,0,0|3,0,0]=4 302 B10R1.15 CSC(=N)c1cccnc1 H51776 [0,1,0,0,0,0|1,0,0]=2 303 B10R1.15 CSC(=N)c1ccncc1 H51774 [0,1,0,0,0,0|3,0,0]=4 304 B10R1.15 C[C@@H](CO)c1ccccc1 L13999 [0,1,0,0,0,0|1,0,2]=4 305 B10R1.15 C[C@H](CO)c1ccccc1 L13988 [0,1,0,0,0,0|1,0,2]=4 306 B10R1.15 C\C(=N/O)\c1ccccc1 A11804 [0,1,0,0,0,0|1,0,1]=3 307 B10R1.15 C\C(=N/O)\c1ccccn1 H52232 [0,1,0,0,0,0|2,0,1]=4 308 B10R1.15 C\C(=N/O)\c1cccnc1 H52154 [0,1,0,0,0,0|0,0,1]=2 309 B10R1.15 C\C(=N/O)\c1ccncc1 H52207 [0,1,0,0,0,0|2,0,1]=4 310 B10R1.15 c1cc(cnc1)C(=O)NN L02059 [0,1,0,0,0,0|1,0,0]=2 311 B10R1.15 c1cc(cnc1)C(=O)[NH2+][O-] H61292 [0,1,0,0,0,0|1,0,0]=2 312 B10R1.15 c1cc(cnc1)\C(=N\O)\N H51749 [0,1,0,0,0,0|1,0,1]=3 313 B10R1.15 c1ccc(cc1)C(=O)C=O A10677 [0,1,0,0,0,0|1,0,1]=3 314 B10R1.15 c1ccc(cc1)C(=O)CBr A15576 [0,1,0,0,0,0|1,0,0]=2 315 B10R1.15 c1ccc(cc1)C(=O)CCl A10749 [0,1,0,0,0,0|1,0,0]=2 316 B10R1.15 c1ccc(cc1)C(=O)CN H29117 [0,1,0,0,0,0|1,0,0]=2 317 B10R1.15 c1ccc(cc1)C(=O)CO 42013 [0,1,0,0,0,0|1,0,0]=2 318 B10R1.15 c1ccc(cc1)C(=O)NN A12268 [0,1,0,0,0,0|2,0,0]=3 319 B10R1.15 c1ccc(cc1)C(=O)NO A10509 [0,1,0,0,0,0|2,0,0]=3 320 B10R1.15 c1ccc(cc1)C(CBr)Br B24990 [0,1,0,0,0,0|2,0,1]=4 321 B10R1.15 c1ccc(cc1)C(CCl)O L14538 [0,1,0,0,0,0|1,0,2]=4 322 B10R1.15 c1ccc(cc1)C(CN)O H63932 [0,1,0,0,0,0|1,0,2]=4 323 B10R1.15 c1ccc(cc1)C(CO)O L04551 [0,1,0,0,0,0|1,0,2]=4 324 B10R1.15 c1ccc(cc1)N(N=O)[O-] A16551 [0,1,0,0,0,0|3,0,0]=4 325 B10R1.15 c1ccc(cc1)[C@@H](CN)O L19404 [0,1,0,0,0,0|1,0,2]=4 326 B10R1.15 c1ccc(cc1)[C@@H](CO)N L13265 [0,1,0,0,0,0|2,0,1]=4 327 B10R1.15 c1ccc(cc1)[C@@H](CO)O L09836 [0,1,0,0,0,0|1,0,2]=4 328 B10R1.15 c1ccc(cc1)[C@H](CN)O L19403 [0,1,0,0,0,0|1,0,2]=4 329 B10R1.15 c1ccc(cc1)[C@H](CO)N A19030 [0,1,0,0,0,0|2,0,1]=4 330 B10R1.15 c1ccc(cc1)[C@H](CO)O L10494 [0,1,0,0,0,0|1,0,2]=4 331 B10R1.15 c1ccc(cc1)\C(=N\O)\N H26068 [0,1,0,0,0,0|2,0,1]=4 332 B10R1.15 c1cnc(cn1)\C(=N\O)\N H54834 [0,1,0,0,0,0|2,0,1]=4 333 B10R1.15 c1cnccc1C(=O)CBr H32285 [0,1,0,0,0,0|2,0,0]=3 334 B10R1.15 c1cnccc1C(=O)NN A10583 [0,1,0,0,0,0|3,0,0]=4 335 B10R1.28 CC(C)(C)c1ccccc1 A12378 [0,1,0,0,0,0|2,0,1]=4 336 B10R1.28 CC(C)(C)c1ccccc1 L19048 [0,1,0,0,0,0|2,0,1]=4 337 B10R1.28 CC(C)(C)c1cnccn1 A14035 [0,1,0,0,0,0|2,0,1]=4 338 B10R1.28 CC(C)(c1ccccc1)N H26845 [0,1,0,0,0,0|2,0,1]=4 339 B10R1.28 CC(C)(c1ccccc1)O A15580 [0,1,0,0,0,0|1,0,2]=4 340 B10R1.28 CP(=O)(c1ccccc1)Cl A18349 [0,1,0,0,0,0|2,0,0]=3 341 B10R1.28 CP(=O)(c1ccccc1)O A19774 [0,1,0,0,0,0|2,0,0]=3 342 B10R1.28 CS(=O)(=O)c1ccccc1 A11727 [0,1,0,0,0,0|2,0,0]=3 343 B10R1.28 C[N+](C)(C)c1ccccc1 A14402 [0,1,0,0,0,0|3,0,0]=4 344 B10R1.28 C[N+](C)(C)c1ccccc1 A15326 [0,1,0,0,0,0|3,0,0]=4 345 B10R1.28 C[N+](C)(C)c1ccccc1 B22851 [0,1,0,0,0,0|3,0,0]=4 346 B10R1.28 C[S@@](=N)(=O)c1ccccc1 L08562 [0,1,0,0,0,0|2,0,0]=3 347 B10R1.28 C[S@](=N)(=O)c1ccccc1 L08618 [0,1,0,0,0,0|2,0,0]=3 348 B10R1.28 C[Si](C)(C)c1ccccc1 L02876 [0,1,0,0,0,0|2,1,0]=4 349 B10R1.28 C[Si](C)(c1ccccc1)Cl A15638 [0,1,0,0,0,0|2,1,0]=4 350 B10R1.28 C[Si](C)(c1ccccc1)O H27377 [0,1,0,0,0,0|1,1,1]=4 351 B10R1.28 C[Si](C)(c1ccccc1)[O-] H28457 [0,1,0,0,0,0|1,1,1]=4 352 B10R1.28 C[Si](c1ccccc1)(Cl)Cl B23999 [0,1,0,0,0,0|2,1,0]=4 353 B10R1.28 c1cc(cnc1)C(F)(F)F L17280 [0,1,0,0,0,0|2,0,1]=4 354 B10R1.28 c1cc(cnc1)S(=O)(=O)Cl H54672 [0,1,0,0,0,0|2,0,0]=3 355 B10R1.28 c1cc(cnc1)S(=O)(=O)O A13101 [0,1,0,0,0,0|2,0,0]=3 356 B10R1.28 c1ccc(cc1)P(=O)(Cl)Cl A13777 [0,1,0,0,0,0|3,0,0]=4 357 B10R1.28 c1ccc(cc1)P(=O)(O)O B22939 [0,1,0,0,0,0|3,0,0]=4 358 B10R1.28 c1ccc(cc1)S(=O)(=O)Cl A10849 [0,1,0,0,0,0|3,0,0]=4 359 B10R1.28 c1ccc(cc1)S(=O)(=O)Cl L19465 [0,1,0,0,0,0|3,0,0]=4 360 B10R1.28 c1ccc(cc1)S(=O)(=O)F L04689 [0,1,0,0,0,0|3,0,0]=4 361 B10R1.28 c1ccc(cc1)S(=O)(=O)N A10891 [0,1,0,0,0,0|3,0,0]=4 362 B10R1.28 c1ccc(cc1)S(=O)(=O)O A16148 [0,1,0,0,0,0|3,0,0]=4 363 B10R1.28 c1ccc(cc1)S(=O)(=O)O L19077 [0,1,0,0,0,0|3,0,0]=4 364 B10R1.28 c1ccc(cc1)S(=O)(=O)[O-] L12072 [0,1,0,0,0,0|3,0,0]=4 365 B10R1.28 c1ccc(cc1)[As](=O)(O)O A10625 [0,1,0,0,0,0|3,0,0]=4 366 B10R1.61 B(c1cccnc1Br)(O)O H27523 [0,1,0,0,0,0|2,0,1]=4 367 B10R1.61 B(c1cccnc1Cl)(O)O L20303 [0,1,0,0,0,0|2,0,1]=4 368 B10R1.61 B(c1cccnc1F)(O)O L20108 [0,1,0,0,0,0|2,0,1]=4 369 B10R1.61 B(c1cnccc1Cl)(O)O H52697 [0,1,0,0,0,0|2,0,1]=4 370 B10R1.61 CC(=O)c1ccccc1Br A11982 [0,1,0,0,0,0|1,0,0]=2 371 B10R1.61 CC(=O)c1ccccc1Cl A15232 [0,1,0,0,0,0|1,0,0]=2 372 B10R1.61 CC(=O)c1ccccc1F A15128 [0,1,0,0,0,0|1,0,0]=2 373 B10R1.61 CC(=O)c1ccccc1I B25345 [0,1,0,0,0,0|1,0,0]=2 374 B10R1.61 CC(=O)c1ccccc1N A10895 [0,1,0,0,0,0|1,0,0]=2 375 B10R1.61 CC(=O)c1ccccc1O A12550 [0,1,0,0,0,0|1,0,0]=2 376 B10R1.61 CC(C)c1ccccc1Br L00941 [0,1,0,0,0,0|2,0,1]=4 377 B10R1.61 CC(C)c1ccccc1I L01533 [0,1,0,0,0,0|2,0,1]=4 378 B10R1.61 CC(C)c1ccccc1N A14671 [0,1,0,0,0,0|2,0,1]=4 379 B10R1.61 CC(C)c1ccccc1O A12027 [0,1,0,0,0,0|2,0,1]=4 380 B10R1.61 CC(c1ccccc1Cl)O B24800 [0,1,0,0,0,0|1,0,2]=4 381 B10R1.61 CC(c1ccccc1F)O H31900 [0,1,0,0,0,0|1,0,2]=4 382 B10R1.61 CN(C)c1ccccc1Br B25564 [0,1,0,0,0,0|3,0,0]=4 383 B10R1.61 C[C@@H](c1ccccc1Cl)O H60935 [0,1,0,0,0,0|1,0,2]=4 384 B10R1.61 C[C@H](c1ccccc1Br)O H56003 [0,1,0,0,0,0|1,0,2]=4 385 B10R1.61 C[C@H](c1ccccc1Cl)O H60061 [0,1,0,0,0,0|1,0,2]=4 386 B10R1.61 Cc1c(nccn1)C(=O)C A15054 [0,1,0,0,0,0|1,0,0]=2 387 B10R1.61 Cc1ccccc1C(=C)C H26073 [0,1,0,0,0,0|2,0,0]=3 388 B10R1.61 Cc1ccccc1C(=O)C A11695 [0,1,0,0,0,0|1,0,0]=2 389 B10R1.61 Cc1ccccc1C(=O)Cl A10775 [0,1,0,0,0,0|2,0,0]=3 390 B10R1.61 Cc1ccccc1C(=O)O A13856 [0,1,0,0,0,0|2,0,0]=3 391 B10R1.61 Cc1ccccc1C(=S)N H51790 [0,1,0,0,0,0|2,1,0]=4 392 B10R1.61 Cc1ccccc1C(C)O L08065 [0,1,0,0,0,0|1,0,2]=4 393 B10R1.61 Cc1ccccc1[N+](=O)[O-] A13446 [0,1,0,0,0,0|3,0,0]=4 394 B10R1.61 Cc1ccncc1C(=O)C H33380 [0,1,0,0,0,0|0,0,0]=1 395 B10R1.61 Cc1ccncc1C(=O)O B22367 [0,1,0,0,0,0|1,0,0]=2 396 B10R1.61 Cc1ccncc1[N+](=O)[O-] H29144 [0,1,0,0,0,0|2,0,0]=3 397 B10R1.61 Cc1ccncc1[N+](=O)[O-] L07398 [0,1,0,0,0,0|2,0,0]=3 398 B10R1.61 c1cc(c(nc1)Br)C(=O)O H30239 [0,1,0,0,0,0|1,0,0]=2 399 B10R1.61 c1cc(c(nc1)Br)C(F)F H33654 [0,1,0,0,0,0|2,0,1]=4 400 B10R1.61 c1cc(c(nc1)Br)[N+](=O)[O-] L20019 [0,1,0,0,0,0|2,0,0]=3 401 B10R1.61 c1cc(c(nc1)C(=O)O)Br H64258 [0,1,0,0,0,0|3,0,0]=4 402 B10R1.61 c1cc(c(nc1)C(=O)O)Cl H26024 [0,1,0,0,0,0|3,0,0]=4 403 B10R1.61 c1cc(c(nc1)C(=O)O)F H61458 [0,1,0,0,0,0|3,0,0]=4 404 B10R1.61 c1cc(c(nc1)C(=O)O)N H64861 [0,1,0,0,0,0|3,0,0]=4 405 B10R1.61 c1cc(c(nc1)C(=O)O)O L07489 [0,1,0,0,0,0|3,0,0]=4 406 B10R1.61 c1cc(c(nc1)Cl)C(=O)Cl A11048 [0,1,0,0,0,0|1,0,0]=2 407 B10R1.61 c1cc(c(nc1)Cl)C(=O)N A12090 [0,1,0,0,0,0|1,0,0]=2 408 B10R1.61 c1cc(c(nc1)Cl)C(=O)O A17082 [0,1,0,0,0,0|1,0,0]=2 409 B10R1.61 c1cc(c(nc1)Cl)C(=S)N H52252 [0,1,0,0,0,0|1,1,0]=3 410 B10R1.61 c1cc(c(nc1)Cl)[N+](=O)[O-] A12161 [0,1,0,0,0,0|2,0,0]=3 411 B10R1.61 c1cc(c(nc1)F)C(=O)O L19442 [0,1,0,0,0,0|1,0,0]=2 412 B10R1.61 c1cc(c(nc1)F)[N+](=O)[O-] H61260 [0,1,0,0,0,0|2,0,0]=3 413 B10R1.61 c1cc(c(nc1)N)C(=O)N H66202 [0,1,0,0,0,0|1,0,0]=2 414 B10R1.61 c1cc(c(nc1)N)C(=O)O A11195 [0,1,0,0,0,0|1,0,0]=2 415 B10R1.61 c1cc(c(nc1)N)[N+](=O)[O-] A14368 [0,1,0,0,0,0|2,0,0]=3 416 B10R1.61 c1cc(c(nc1)O)C(=O)O A15986 [0,1,0,0,0,0|1,0,0]=2 417 B10R1.61 c1cc(c(nc1)O)[N+](=O)[O-] A17768 [0,1,0,0,0,0|2,0,0]=3 418 B10R1.61 c1cc(c(nc1)S)C(=O)O A14683 [0,1,0,0,0,0|1,0,0]=2 419 B10R1.61 c1ccc(c(c1)C(=O)Cl)Br A14520 [0,1,0,0,0,0|2,0,0]=3 420 B10R1.61 c1ccc(c(c1)C(=O)Cl)Cl A14785 [0,1,0,0,0,0|2,0,0]=3 421 B10R1.61 c1ccc(c(c1)C(=O)Cl)F A16096 [0,1,0,0,0,0|2,0,0]=3 422 B10R1.61 c1ccc(c(c1)C(=O)Cl)I A13558 [0,1,0,0,0,0|2,0,0]=3 423 B10R1.61 c1ccc(c(c1)C(=O)N)Br A18331 [0,1,0,0,0,0|2,0,0]=3 424 B10R1.61 c1ccc(c(c1)C(=O)N)Cl A15706 [0,1,0,0,0,0|2,0,0]=3 425 B10R1.61 c1ccc(c(c1)C(=O)N)F L07870 [0,1,0,0,0,0|2,0,0]=3 426 B10R1.61 c1ccc(c(c1)C(=O)N)N A14756 [0,1,0,0,0,0|2,0,0]=3 427 B10R1.61 c1ccc(c(c1)C(=O)N)O A10797 [0,1,0,0,0,0|2,0,0]=3 428 B10R1.61 c1ccc(c(c1)C(=O)O)Br A13608 [0,1,0,0,0,0|2,0,0]=3 429 B10R1.61 c1ccc(c(c1)C(=O)O)Cl A10832 [0,1,0,0,0,0|2,0,0]=3 430 B10R1.61 c1ccc(c(c1)C(=O)O)F A11015 [0,1,0,0,0,0|2,0,0]=3 431 B10R1.61 c1ccc(c(c1)C(=O)O)I A10563 [0,1,0,0,0,0|2,0,0]=3 432 B10R1.61 c1ccc(c(c1)C(=O)O)N A12715 [0,1,0,0,0,0|2,0,0]=3 433 B10R1.61 c1ccc(c(c1)C(=O)O)O 30782 [0,1,0,0,0,0|2,0,0]=3 434 B10R1.61 c1ccc(c(c1)C(=O)O)O A12253 [0,1,0,0,0,0|2,0,0]=3 435 B10R1.61 c1ccc(c(c1)C(=O)O)S A13401 [0,1,0,0,0,0|2,0,0]=3 436 B10R1.61 c1ccc(c(c1)C(=O)[O-])O 18585 [0,1,0,0,0,0|2,0,0]=3 437 B10R1.61 c1ccc(c(c1)C(=O)[O-])O 39356 [0,1,0,0,0,0|2,0,0]=3 438 B10R1.61 c1ccc(c(c1)C(=O)[O-])O 39379 [0,1,0,0,0,0|2,0,0]=3 439 B10R1.61 c1ccc(c(c1)C(=O)[O-])O A17056 [0,1,0,0,0,0|2,0,0]=3 440 B10R1.61 c1ccc(c(c1)C(=S)N)Br H55238 [0,1,0,0,0,0|2,1,0]=4 441 B10R1.61 c1ccc(c(c1)C(=S)N)Cl L11180 [0,1,0,0,0,0|2,1,0]=4 442 B10R1.61 c1ccc(c(c1)C(=S)N)N H51809 [0,1,0,0,0,0|2,1,0]=4 443 B10R1.61 c1ccc(c(c1)N)[N+](=O)[O-] A11055 [0,1,0,0,0,0|3,0,0]=4 444 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])Br A11686 [0,1,0,0,0,0|3,0,0]=4 445 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])Cl A15403 [0,1,0,0,0,0|3,0,0]=4 446 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])F A13852 [0,1,0,0,0,0|3,0,0]=4 447 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])I A12100 [0,1,0,0,0,0|3,0,0]=4 448 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])O A12333 [0,1,0,0,0,0|3,0,0]=4 449 B10R1.61 c1cnc(c(n1)C(=O)N)N H63553 [0,1,0,0,0,0|2,0,0]=3 450 B10R1.61 c1cnc(c(n1)C(=O)N)O H28250 [0,1,0,0,0,0|2,0,0]=3 451 B10R1.61 c1cnc(c(n1)C(=O)O)N B23707 [0,1,0,0,0,0|2,0,0]=3 452 B10R1.61 c1cncc(c1Br)C(=O)O H66322 [0,1,0,0,0,0|1,0,0]=2 453 B10R1.61 c1cncc(c1C(=O)O)Br H31047 [0,1,0,0,0,0|3,0,0]=4 454 B10R1.61 c1cncc(c1C(=O)O)Cl H63669 [0,1,0,0,0,0|3,0,0]=4 455 B10R1.61 c1cncc(c1C(=O)O)F L20042 [0,1,0,0,0,0|3,0,0]=4 456 B10R1.61 c1cncc(c1C(=O)O)N H28714 [0,1,0,0,0,0|3,0,0]=4 457 B10R1.61 c1cncc(c1C(=O)O)O H63465 [0,1,0,0,0,0|3,0,0]=4 458 B10R1.61 c1cncc(c1Cl)C(=O)O L20029 [0,1,0,0,0,0|1,0,0]=2 459 B10R1.61 c1cncc(c1Cl)[N+](=O)[O-] L19364 [0,1,0,0,0,0|2,0,0]=3 460 B10R1.61 c1cncc(c1Cl)[N+](=O)[O-] L19728 [0,1,0,0,0,0|2,0,0]=3 461 B10R1.61 c1cncc(c1N)C(=O)O H50032 [0,1,0,0,0,0|1,0,0]=2 462 B10R1.61 c1cncc(c1N)[N+](=O)[O-] L19725 [0,1,0,0,0,0|2,0,0]=3 463 B10R1.61 c1cncc(c1O)C(=O)O H32282 [0,1,0,0,0,0|1,0,0]=2 464 B10R1.61 c1cncc(c1O)[N+](=O)[O-] B20963 [0,1,0,0,0,0|2,0,0]=3 465 B10R1.113 B(c1cc(cnc1)Br)(O)O L20084 [0,1,0,0,0,0|2,0,1]=4 466 B10R1.113 B(c1cc(cnc1)C)(O)O H52891 [0,1,0,0,0,0|2,0,1]=4 467 B10R1.113 B(c1cc(cnc1)Cl)(O)O H27756 [0,1,0,0,0,0|2,0,1]=4 468 B10R1.113 B(c1cc(cnc1)F)(O)O H52860 [0,1,0,0,0,0|2,0,1]=4 469 B10R1.113 CC(=O)c1cc(ccn1)Br H66562 [0,1,0,0,0,0|2,0,0]=3 470 B10R1.113 CC(=O)c1cc(cnc1)Br L19362 [0,1,0,0,0,0|0,0,0]=1 471 B10R1.113 CC(=O)c1cccc(c1)Br A12454 [0,1,0,0,0,0|1,0,0]=2 472 B10R1.113 CC(=O)c1cccc(c1)Cl A15592 [0,1,0,0,0,0|1,0,0]=2 473 B10R1.113 CC(=O)c1cccc(c1)F A11733 [0,1,0,0,0,0|1,0,0]=2 474 B10R1.113 CC(=O)c1cccc(c1)N A12503 [0,1,0,0,0,0|1,0,0]=2 475 B10R1.113 CC(=O)c1cccc(c1)O A12547 [0,1,0,0,0,0|1,0,0]=2 476 B10R1.113 CC(=O)c1cccc(n1)Br H55981 [0,1,0,0,0,0|2,0,0]=3 477 B10R1.113 CC(=O)c1ccnc(c1)Cl H33619 [0,1,0,0,0,0|2,0,0]=3 478 B10R1.113 CC(C)c1cccc(c1)Br L17654 [0,1,0,0,0,0|2,0,1]=4 479 B10R1.113 CC(c1cccc(c1)Cl)O L04783 [0,1,0,0,0,0|1,0,2]=4 480 B10R1.113 CC(c1cccc(c1)F)O B23144 [0,1,0,0,0,0|1,0,2]=4 481 B10R1.113 CC(c1cccc(c1)N)O L06513 [0,1,0,0,0,0|1,0,2]=4 482 B10R1.113 CN(C)c1cccc(c1)Br L17279 [0,1,0,0,0,0|3,0,0]=4 483 B10R1.113 CN(C)c1cccc(c1)Cl L08563 [0,1,0,0,0,0|3,0,0]=4 484 B10R1.113 CN(C)c1cccc(c1)N L00403 [0,1,0,0,0,0|3,0,0]=4 485 B10R1.113 CN(C)c1cccc(c1)O B23067 [0,1,0,0,0,0|3,0,0]=4 486 B10R1.113 C[C@@H](c1cccc(c1)Br)N H26998 [0,1,0,0,0,0|2,0,1]=4 487 B10R1.113 C[C@@H](c1cccc(c1)Cl)N H27637 [0,1,0,0,0,0|2,0,1]=4 488 B10R1.113 C[C@H](c1cccc(c1)Br)N H27636 [0,1,0,0,0,0|2,0,1]=4 489 B10R1.113 C[C@H](c1cccc(c1)Cl)N H27461 [0,1,0,0,0,0|2,0,1]=4 490 B10R1.113 Cc1cc(ccn1)C(=O)O H57969 [0,1,0,0,0,0|3,0,0]=4 491 B10R1.113 Cc1cc(cnc1)C(=O)N L18970 [0,1,0,0,0,0|1,0,0]=2 492 B10R1.113 Cc1cc(cnc1)C(=O)O L16370 [0,1,0,0,0,0|1,0,0]=2 493 B10R1.113 Cc1cc(cnc1)[N+](=O)[O-] H31683 [0,1,0,0,0,0|2,0,0]=3 494 B10R1.113 Cc1cccc(c1)C(=C)C H50760 [0,1,0,0,0,0|2,0,0]=3 495 B10R1.113 Cc1cccc(c1)C(=O)C L00440 [0,1,0,0,0,0|1,0,0]=2 496 B10R1.113 Cc1cccc(c1)C(=O)Cl B23914 [0,1,0,0,0,0|2,0,0]=3 497 B10R1.113 Cc1cccc(c1)C(=O)N B24442 [0,1,0,0,0,0|2,0,0]=3 498 B10R1.113 Cc1cccc(c1)C(=O)O A13785 [0,1,0,0,0,0|2,0,0]=3 499 B10R1.113 Cc1cccc(c1)C(=S)N H26468 [0,1,0,0,0,0|2,1,0]=4 500 B10R1.113 Cc1cccc(c1)C(C)O H32784 [0,1,0,0,0,0|1,0,2]=4 501 B10R1.113 Cc1cccc(c1)N(C)C A13326 [0,1,0,0,0,0|3,0,0]=4 502 B10R1.113 Cc1cccc(n1)C(=O)C H65997 [0,1,0,0,0,0|2,0,0]=3 503 B10R1.113 Cc1cccc(n1)C(=O)O H26302 [0,1,0,0,0,0|3,0,0]=4 504 B10R1.113 c1c(cncc1Br)C(=O)Cl L15510 [0,1,0,0,0,0|1,0,0]=2 505 B10R1.113 c1c(cncc1Br)C(=O)N A17840 [0,1,0,0,0,0|1,0,0]=2 506 B10R1.113 c1c(cncc1Br)C(=O)O A13589 [0,1,0,0,0,0|1,0,0]=2 507 B10R1.113 c1c(cncc1Br)C(F)F H34371 [0,1,0,0,0,0|2,0,1]=4 508 B10R1.113 c1c(cncc1Br)[N+](=O)[O-] H33531 [0,1,0,0,0,0|2,0,0]=3 509 B10R1.113 c1c(cncc1Cl)C(=O)O H26804 [0,1,0,0,0,0|1,0,0]=2 510 B10R1.113 c1c(cncc1F)C(=O)O H61162 [0,1,0,0,0,0|1,0,0]=2 511 B10R1.113 c1c(cncc1N)C(=O)O H60192 [0,1,0,0,0,0|1,0,0]=2 512 B10R1.113 c1c(cncc1O)C(=O)O H30725 [0,1,0,0,0,0|1,0,0]=2 513 B10R1.113 c1c(nc(cn1)Cl)C(=O)O H66404 [0,1,0,0,0,0|2,0,0]=3 514 B10R1.113 c1cc(cc(c1)Br)C(=O)Cl A15256 [0,1,0,0,0,0|2,0,0]=3 515 B10R1.113 c1cc(cc(c1)Br)C(=O)N H64672 [0,1,0,0,0,0|2,0,0]=3 516 B10R1.113 c1cc(cc(c1)Br)C(=O)O A12606 [0,1,0,0,0,0|2,0,0]=3 517 B10R1.113 c1cc(cc(c1)Cl)C(=O)Cl A13509 [0,1,0,0,0,0|2,0,0]=3 518 B10R1.113 c1cc(cc(c1)Cl)C(=O)N A11389 [0,1,0,0,0,0|2,0,0]=3 519 B10R1.113 c1cc(cc(c1)Cl)C(=O)O A10876 [0,1,0,0,0,0|2,0,0]=3 520 B10R1.113 c1cc(cc(c1)Cl)C(=S)N H26423 [0,1,0,0,0,0|2,1,0]=4 521 B10R1.113 c1cc(cc(c1)Cl)[N+](=O)[O-] B23423 [0,1,0,0,0,0|3,0,0]=4 522 B10R1.113 c1cc(cc(c1)F)C(=O)Cl L09152 [0,1,0,0,0,0|2,0,0]=3 523 B10R1.113 c1cc(cc(c1)F)C(=O)N L06701 [0,1,0,0,0,0|2,0,0]=3 524 B10R1.113 c1cc(cc(c1)F)C(=O)O A16511 [0,1,0,0,0,0|2,0,0]=3 525 B10R1.113 c1cc(cc(c1)F)[N+](=O)[O-] B25553 [0,1,0,0,0,0|3,0,0]=4 526 B10R1.113 c1cc(cc(c1)I)C(=O)Cl L17451 [0,1,0,0,0,0|2,0,0]=3 527 B10R1.113 c1cc(cc(c1)I)C(=O)O A11515 [0,1,0,0,0,0|2,0,0]=3 528 B10R1.113 c1cc(cc(c1)I)[N+](=O)[O-] B21605 [0,1,0,0,0,0|3,0,0]=4 529 B10R1.113 c1cc(cc(c1)N)C(=O)N A10793 [0,1,0,0,0,0|2,0,0]=3 530 B10R1.113 c1cc(cc(c1)N)C(=O)O A19540 [0,1,0,0,0,0|2,0,0]=3 531 B10R1.113 c1cc(cc(c1)N)C(=O)O L08407 [0,1,0,0,0,0|2,0,0]=3 532 B10R1.113 c1cc(cc(c1)N)C(=S)N H51806 [0,1,0,0,0,0|2,1,0]=4 533 B10R1.113 c1cc(cc(c1)O)C(=O)O A13628 [0,1,0,0,0,0|2,0,0]=3 534 B10R1.113 c1cc(cc(c1)O)C(=S)N H52236 [0,1,0,0,0,0|2,1,0]=4 535 B10R1.113 c1cc(cc(c1)O)[N+](=O)[O-] A15312 [0,1,0,0,0,0|3,0,0]=4 536 B10R1.113 c1cc(cc(c1)[N+](=O)[O-])N A10629 [0,1,0,0,0,0|3,0,0]=4 537 B10R1.113 c1cc(nc(c1)Br)C(=O)N H31811 [0,1,0,0,0,0|3,0,0]=4 538 B10R1.113 c1cc(nc(c1)Br)C(=O)O H30553 [0,1,0,0,0,0|3,0,0]=4 539 B10R1.113 c1cc(nc(c1)Cl)C(=O)N H33547 [0,1,0,0,0,0|3,0,0]=4 540 B10R1.113 c1cc(nc(c1)Cl)C(=O)O L19448 [0,1,0,0,0,0|3,0,0]=4 541 B10R1.113 c1cc(nc(c1)F)C(=O)N H32911 [0,1,0,0,0,0|3,0,0]=4 542 B10R1.113 c1cc(nc(c1)F)C(=O)O H26106 [0,1,0,0,0,0|3,0,0]=4 543 B10R1.113 c1cc(nc(c1)N)C(=O)O H31861 [0,1,0,0,0,0|3,0,0]=4 544 B10R1.113 c1cnc(cc1Br)C(=O)O H64244 [0,1,0,0,0,0|3,0,0]=4 545 B10R1.113 c1cnc(cc1C(=O)N)Br L19854 [0,1,0,0,0,0|3,0,0]=4 546 B10R1.113 c1cnc(cc1C(=O)N)Cl H25769 [0,1,0,0,0,0|3,0,0]=4 547 B10R1.113 c1cnc(cc1C(=O)N)I H31468 [0,1,0,0,0,0|3,0,0]=4 548 B10R1.113 c1cnc(cc1C(=O)N)N L19843 [0,1,0,0,0,0|3,0,0]=4 549 B10R1.113 c1cnc(cc1C(=O)O)Br L19855 [0,1,0,0,0,0|3,0,0]=4 550 B10R1.113 c1cnc(cc1C(=O)O)Cl L19449 [0,1,0,0,0,0|3,0,0]=4 551 B10R1.113 c1cnc(cc1C(=O)O)F 44755 [0,1,0,0,0,0|3,0,0]=4 552 B10R1.113 c1cnc(cc1C(=O)O)I H31002 [0,1,0,0,0,0|3,0,0]=4 553 B10R1.113 c1cnc(cc1C(=O)O)N L19845 [0,1,0,0,0,0|3,0,0]=4 554 B10R1.113 c1cnc(cc1C(=O)O)O H64241 [0,1,0,0,0,0|3,0,0]=4 555 B10R1.113 c1cnc(cc1Cl)C(=O)N H65265 [0,1,0,0,0,0|3,0,0]=4 556 B10R1.113 c1cnc(cc1Cl)C(=O)O H32301 [0,1,0,0,0,0|3,0,0]=4 557 B10R1.113 c1cnc(cc1O)C(=O)O H34262 [0,1,0,0,0,0|3,0,0]=4 558 B10R2.6 c1ccc(cc1)C2CO2 L07821 [0,0,0,1,0,0|1,0,2]=4 559 B10R2.6 c1ccc(cc1)[C@@H]2CO2 B21245 [0,0,0,1,0,0|1,0,2]=4 560 B8R1.7 CC(=C1C=CC=C1)C B21826 [0,0,0,0,1,0|1,0,0]=2 561 B8R1.7 CC(=O)c1cc[nH]c1 A12073 [0,0,0,0,1,0|0,0,1]=2 562 B8R1.7 CC(=O)c1ccc[nH]1 A14593 [0,0,0,0,1,0|0,0,1]=2 563 B8R1.7 CC(=O)c1ccco1 A14938 [0,0,0,0,1,0|1,0,0]=2 564 B8R1.7 CC(=O)c1cccs1 A13062 [0,0,0,0,1,0|1,0,0]=2 565 B8R1.7 CC(=O)c1ccoc1 H34071 [0,0,0,0,1,0|1,0,0]=2 566 B8R1.7 CC(=O)c1ccsc1 A11078 [0,0,0,0,1,0|1,0,0]=2 567 B8R1.7 CC(=O)c1nccs1 A11266 [0,0,0,0,1,0|1,0,0]=2 568 B8R1.7 CC(=O)n1ccnc1 L00137 [0,0,0,0,1,0|1,0,0]=2 569 B8R1.7 CC(C)c1[nH]ccn1 A13307 [0,0,0,0,1,0|2,0,1]=4 570 B8R1.7 CC(C1=CCC=C1)O L19681 [0,0,0,0,1,0|0,0,3]=4 571 B8R1.7 CC(c1cccs1)N H26052 [0,0,0,0,1,0|2,0,1]=4 572 B8R1.7 C[C@@H](C1=CCC=C1)O L19683 [0,0,0,0,1,0|0,0,3]=4 573 B8R1.7 C[C@H](C1=CCC=C1)O L19682 [0,0,0,0,1,0|0,0,3]=4 574 B8R1.7 C[C@H](c1cccs1)O H26936 [0,0,0,0,1,0|1,0,2]=4 575 B8R1.7 c1c(cn[nH]1)C(=O)O H25783 [0,0,0,0,1,0|2,0,0]=3 576 B8R1.7 c1c(cn[nH]1)[N+](=O)[O-] H27084 [0,0,0,0,1,0|3,0,0]=4 577 B8R1.7 c1c(nc[nH]1)C(=O)O H56862 [0,0,0,0,1,0|2,0,0]=3 578 B8R1.7 c1c(nc[nH]1)[N+](=O)[O-] A12458 [0,0,0,0,1,0|3,0,0]=4 579 B8R1.7 c1c(nns1)C(=O)O B20842 [0,0,0,0,1,0|3,0,0]=4 580 B8R1.7 c1c(ocn1)C(=O)O H30179 [0,0,0,0,1,0|2,0,0]=3 581 B8R1.7 c1c[nH]cc1C(=O)O H55383 [0,0,0,0,1,0|1,0,1]=3 582 B8R1.7 c1c[nH]nc1C(=O)O B25732 [0,0,0,0,1,0|2,0,0]=3 583 B8R1.7 c1cc([nH]c1)C(=O)O L13756 [0,0,0,0,1,0|1,0,1]=3 584 B8R1.7 c1cc([nH]c1)C(=S)N H58042 [0,0,0,0,1,0|1,1,1]=4 585 B8R1.7 c1cc(oc1)C(=O)Cl L06960 [0,0,0,0,1,0|2,0,0]=3 586 B8R1.7 c1cc(oc1)C(=O)N B25075 [0,0,0,0,1,0|2,0,0]=3 587 B8R1.7 c1cc(oc1)C(=O)O A11454 [0,0,0,0,1,0|2,0,0]=3 588 B8R1.7 c1cc(oc1)C(=S)N H51831 [0,0,0,0,1,0|2,1,0]=4 589 B8R1.7 c1cc(sc1)C(=O)Cl A14641 [0,0,0,0,1,0|2,0,0]=3 590 B8R1.7 c1cc(sc1)C(=O)N A15219 [0,0,0,0,1,0|2,0,0]=3 591 B8R1.7 c1cc(sc1)C(=O)O A12514 [0,0,0,0,1,0|2,0,0]=3 592 B8R1.7 c1cc(sc1)C(=O)[O-] H64950 [0,0,0,0,1,0|2,0,0]=3 593 B8R1.7 c1cc(sc1)C(=S)N B25225 [0,0,0,0,1,0|2,1,0]=4 594 B8R1.7 c1cc(sc1)[N+](=O)[O-] A17464 [0,0,0,0,1,0|3,0,0]=4 595 B8R1.7 c1cnc([nH]1)[N+](=O)[O-] L13546 [0,0,0,0,1,0|3,0,0]=4 596 B8R1.7 c1cnn(c1)C(=N)N H60631 [0,0,0,0,1,0|3,0,0]=4 597 B8R1.7 c1cnoc1C(=O)Cl A14625 [0,0,0,0,1,0|2,0,0]=3 598 B8R1.7 c1cnoc1C(=O)O A13739 [0,0,0,0,1,0|2,0,0]=3 599 B8R1.7 c1cocc1C(=O)O L11629 [0,0,0,0,1,0|2,0,0]=3 600 B8R1.7 c1conc1C(=O)O H58438 [0,0,0,0,1,0|2,0,0]=3 601 B8R1.7 c1csc(n1)C(=O)O H63620 [0,0,0,0,1,0|2,0,0]=3 602 B8R1.7 c1cscc1C(=O)Cl H61428 [0,0,0,0,1,0|2,0,0]=3 603 B8R1.7 c1cscc1C(=O)O A15712 [0,0,0,0,1,0|2,0,0]=3 604 B8R1.7 c1cscc1C(=S)N H51830 [0,0,0,0,1,0|2,1,0]=4 605 B10R1.18 CC(=C)Cc1ccccc1 B20370 [0,0,0,0,0,1|2,0,0]=3 606 B10R1.18 CC(=O)C[n+]1ccccc1 A16015 [0,0,0,0,0,1|2,0,0]=3 607 B10R1.18 CC(=O)C[n+]1ccccc1 B24490 [0,0,0,0,0,1|2,0,0]=3 608 B10R1.18 CC(=O)Cc1ccncc1 L18667 [0,0,0,0,0,1|2,0,0]=3 609 B10R1.18 CC(=O)Nc1ccccc1 A14361 [0,0,0,0,0,1|1,0,0]=2 610 B10R1.18 CC(=O)Oc1ccccc1 B22561 [0,0,0,0,0,1|1,0,0]=2 611 B10R1.18 CC(=O)Oc1ccccc1 L19598 [0,0,0,0,0,1|1,0,0]=2 612 B10R1.18 CC(=O)Sc1ccccc1 H55175 [0,0,0,0,0,1|1,0,0]=2 613 B10R1.18 CC(C)Cc1cccnc1 B22080 [0,0,0,0,0,1|1,0,1]=3 614 B10R1.18 CC(C)Cc1cnccn1 A10245 [0,0,0,0,0,1|2,0,1]=4 615 B10R1.18 CC(C)Nc1ccccc1 L10646 [0,0,0,0,0,1|2,0,1]=4 616 B10R1.18 CC(C)Sc1ccccc1 A17124 [0,0,0,0,0,1|2,0,1]=4 617 B10R1.18 CN(C)Cc1ccccc1 A12191 [0,0,0,0,0,1|3,0,0]=4 618 B10R1.18 C[SiH](C)Cc1ccccc1 L05334 [0,0,0,0,0,1|2,1,0]=4 619 B10R1.18 c1cc(cnc1)CC(=O)N B25692 [0,0,0,0,0,1|1,0,0]=2 620 B10R1.18 c1cc(cnc1)CC(=O)O A15599 [0,0,0,0,0,1|1,0,0]=2 621 B10R1.18 c1cc(cnc1)CC(=S)N H58040 [0,0,0,0,0,1|1,1,0]=3 622 B10R1.18 c1cc(cnc1)NC(=S)N L01284 [0,0,0,0,0,1|1,1,0]=3 623 B10R1.18 c1ccc(cc1)CC(=O)Cl B24987 [0,0,0,0,0,1|2,0,0]=3 624 B10R1.18 c1ccc(cc1)CC(=O)N H60626 [0,0,0,0,0,1|2,0,0]=3 625 B10R1.18 c1ccc(cc1)CC(=O)O A14881 [0,0,0,0,0,1|2,0,0]=3 626 B10R1.18 c1ccc(cc1)CC(=S)N H26514 [0,0,0,0,0,1|2,1,0]=4 627 B10R1.18 c1ccc(cc1)NC(=O)N L01306 [0,0,0,0,0,1|2,0,0]=3 628 B10R1.18 c1ccc(cc1)NC(=S)N L06690 [0,0,0,0,0,1|2,1,0]=4 629 B10R1.18 c1ccc(cc1)OC(=O)Cl A12618 [0,0,0,0,0,1|2,0,0]=3 630 B10R1.18 c1ccc(cc1)OC(=O)N L00944 [0,0,0,0,0,1|2,0,0]=3 631 B10R1.18 c1ccc(cc1)OC(=S)Cl L00838 [0,0,0,0,0,1|2,1,0]=4 632 B10R1.18 c1ccnc(c1)CC(=O)N B24939 [0,0,0,0,0,1|3,0,0]=4 633 B10R1.18 c1ccnc(c1)CC(=O)O L04870 [0,0,0,0,0,1|3,0,0]=4 634 B10R1.18 c1cnccc1CC(=O)N B24734 [0,0,0,0,0,1|3,0,0]=4 635 B10R1.18 c1cnccc1CC(=O)O A14348 [0,0,0,0,0,1|3,0,0]=4 636 B7R0.4 CC(=O)O\C=C\C=C A12519 [1,0,1,0,0,0|1,0,0]=3 637 B7R0.4 C\C=C\C=C\C(=O)O A16196 [1,0,1,0,0,0|1,0,1]=4 638 B7R0.4 C\C=C\C=C\C(=O)[O-] A12844 [1,0,1,0,0,0|1,0,1]=4 639 B7R1.3 CC1=CCC=CC1 B20298 [2,0,0,0,0,0|1,0,1]=4 640 B7R1.3 Cc1ccccc1 16371 [2,0,0,0,0,0|1,0,0]=3 641 B7R1.3 Cc1ccccc1 19376 [2,0,0,0,0,0|1,0,0]=3 642 B7R1.3 Cc1ccccc1 19399 [2,0,0,0,0,0|1,0,0]=3 643 B7R1.3 Cc1ccccc1 19402 [2,0,0,0,0,0|1,0,0]=3 644 B7R1.3 Cc1ccccc1 22903 [2,0,0,0,0,0|1,0,0]=3 645 B7R1.3 Cc1ccccc1 31755 [2,0,0,0,0,0|1,0,0]=3 646 B7R1.3 Cc1ccccc1 41464 [2,0,0,0,0,0|1,0,0]=3 647 B7R1.3 Cc1ccccc1 41841 [2,0,0,0,0,0|1,0,0]=3 648 B7R1.3 Cc1ccccc1 43061 [2,0,0,0,0,0|1,0,0]=3 649 B7R1.3 Cc1ccccc1 47136 [2,0,0,0,0,0|1,0,0]=3 650 B7R1.3 Cc1ccccc1 L10967 [2,0,0,0,0,0|1,0,0]=3 651 B7R1.3 Cc1ccccc1 L13317 [2,0,0,0,0,0|1,0,0]=3 652 B7R1.3 Cc1ccccn1 A10847 [2,0,0,0,0,0|2,0,0]=4 653 B7R1.3 Cc1cccnc1 A14012 [2,0,0,0,0,0|0,0,0]=2 654 B7R1.3 Cc1cccnn1 A14097 [2,0,0,0,0,0|1,0,0]=3 655 B7R1.3 Cc1ccncc1 A15595 [2,0,0,0,0,0|2,0,0]=4 656 B7R1.3 Cc1ccnnc1 L09749 [2,0,0,0,0,0|1,0,0]=3 657 B7R1.3 Cc1cnccn1 A14146 [2,0,0,0,0,0|1,0,0]=3 658 B7R1.3 Cc1cncnc1 L19638 [2,0,0,0,0,0|1,0,0]=3 659 B7R1.3 [Li]c1ccccc1 45770 [2,0,0,0,0,0|2,0,0]=4 660 B7R1.3 [Li]c1ccccc1 47286 [2,0,0,0,0,0|2,0,0]=4 661 B7R1.3 c1c(cncn1)Br L14172 [2,0,0,0,0,0|2,0,0]=4 662 B7R1.3 c1c(cncn1)[Zn+] H58089 [2,0,0,0,0,0|2,0,0]=4 663 B7R1.3 c1cc(=O)[nH]nc1 H55334 [2,0,0,0,0,0|1,0,0]=3 664 B7R1.3 c1cc(cnc1)Br A12894 [2,0,0,0,0,0|1,0,0]=3 665 B7R1.3 c1cc(cnc1)Cl B24316 [2,0,0,0,0,0|1,0,0]=3 666 B7R1.3 c1cc(cnc1)F A11693 [2,0,0,0,0,0|1,0,0]=3 667 B7R1.3 c1cc(cnc1)I B23225 [2,0,0,0,0,0|1,0,0]=3 668 B7R1.3 c1cc(cnc1)N A13216 [2,0,0,0,0,0|1,0,0]=3 669 B7R1.3 c1cc(cnc1)O A13910 [2,0,0,0,0,0|0,0,1]=3 670 B7R1.3 c1cc(cnc1)[Zn+] H58498 [2,0,0,0,0,0|1,0,0]=3 671 B7R1.3 c1cc(nnc1)N H64859 [2,0,0,0,0,0|2,0,0]=4 672 B7R1.3 c1ccc(cc1)Br A11407 [2,0,0,0,0,0|2,0,0]=4 673 B7R1.3 c1ccc(cc1)Cl 22921 [2,0,0,0,0,0|2,0,0]=4 674 B7R1.3 c1ccc(cc1)Cl 22922 [2,0,0,0,0,0|2,0,0]=4 675 B7R1.3 c1ccc(cc1)Cl 36401 [2,0,0,0,0,0|2,0,0]=4 676 B7R1.3 c1ccc(cc1)Cl B21052 [2,0,0,0,0,0|2,0,0]=4 677 B7R1.3 c1ccc(cc1)Cl H27688 [2,0,0,0,0,0|2,0,0]=4 678 B7R1.3 c1ccc(cc1)F A14384 [2,0,0,0,0,0|2,0,0]=4 679 B7R1.3 c1ccc(cc1)I A12788 [2,0,0,0,0,0|2,0,0]=4 680 B7R1.3 c1ccc(cc1)N 36238 [2,0,0,0,0,0|2,0,0]=4 681 B7R1.3 c1ccc(cc1)N A13024 [2,0,0,0,0,0|2,0,0]=4 682 B7R1.3 c1ccc(cc1)N A14443 [2,0,0,0,0,0|2,0,0]=4 683 B7R1.3 c1ccc(cc1)N A15563 [2,0,0,0,0,0|2,0,0]=4 684 B7R1.3 c1ccc(cc1)O 33213 [2,0,0,0,0,0|1,0,1]=4 685 B7R1.3 c1ccc(cc1)O 44526 [2,0,0,0,0,0|1,0,1]=4 686 B7R1.3 c1ccc(cc1)O A15760 [2,0,0,0,0,0|1,0,1]=4 687 B7R1.3 c1ccc(cc1)O L19594 [2,0,0,0,0,0|1,0,1]=4 688 B7R1.3 c1ccc(cc1)P 30155 [2,0,0,0,0,0|2,0,0]=4 689 B7R1.3 c1ccc(cc1)S A15916 [2,0,0,0,0,0|1,1,0]=4 690 B7R1.3 c1ccc(cc1)[Hg+] 37113 [2,0,0,0,0,0|2,0,0]=4 691 B7R1.3 c1ccc(cc1)[Hg+] 37125 [2,0,0,0,0,0|2,0,0]=4 692 B7R1.3 c1ccc(cc1)[Mg+] 42859 [2,0,0,0,0,0|2,0,0]=4 693 B7R1.3 c1ccc(cc1)[Mg+] 87326 [2,0,0,0,0,0|2,0,0]=4 694 B7R1.3 c1ccc(cc1)[Mg+] H51157 [2,0,0,0,0,0|2,0,0]=4 695 B7R1.3 c1ccc(cc1)[Mg+] H54729 [2,0,0,0,0,0|2,0,0]=4 696 B7R1.3 c1ccc(cc1)[O-] 51120 [2,0,0,0,0,0|1,0,1]=4 697 B7R1.3 c1ccc(cc1)[O-] B25002 [2,0,0,0,0,0|1,0,1]=4 698 B7R1.3 c1ccc(cc1)[SeH] A12876 [2,0,0,0,0,0|1,1,0]=4 699 B7R1.3 c1ccc(cc1)[SiH3] A17901 [2,0,0,0,0,0|1,1,0]=4 700 B7R1.3 c1ccc(cc1)[Sn+3] 71157 [2,0,0,0,0,0|2,0,0]=4 701 B7R1.3 c1ccc(cc1)[Zn+] H58343 [2,0,0,0,0,0|2,0,0]=4 702 B7R1.3 c1ccc(cc1)[Zn+] H58659 [2,0,0,0,0,0|2,0,0]=4 703 B7R1.3 c1cnc(cn1)Cl A10108 [2,0,0,0,0,0|2,0,0]=4 704 B7R1.3 c1cnc(cn1)I H26244 [2,0,0,0,0,0|2,0,0]=4 705 B7R1.3 c1cnc(cn1)N A13052 [2,0,0,0,0,0|2,0,0]=4 706 B9R1.1 C=Cc1ccc(cc1)Br A17896 [1,1,0,0,0,0|1,0,1]=4 707 B9R1.1 C=Cc1ccc(cc1)Cl B20512 [1,1,0,0,0,0|1,0,1]=4 708 B9R1.1 C=Cc1ccc(cc1)F A14775 [1,1,0,0,0,0|1,0,1]=4 709 B9R1.1 C=Cc1ccc(cc1)N L11845 [1,1,0,0,0,0|1,0,1]=4 710 B9R1.1 C=Cc1ccc(cc1)O L10902 [1,1,0,0,0,0|1,0,1]=4 711 B9R1.1 CCc1ccc(cc1)Br A13013 [1,1,0,0,0,0|1,0,1]=4 712 B9R1.1 CCc1ccc(cc1)C L02120 [1,1,0,0,0,0|1,0,1]=4 713 B9R1.1 CCc1ccc(cc1)Cl L07931 [1,1,0,0,0,0|1,0,1]=4 714 B9R1.1 CCc1ccc(cc1)F L05940 [1,1,0,0,0,0|1,0,1]=4 715 B9R1.1 CCc1ccc(cc1)I A14138 [1,1,0,0,0,0|1,0,1]=4 716 B9R1.1 CCc1ccc(cc1)N B24652 [1,1,0,0,0,0|1,0,1]=4 717 B9R1.1 CCc1ccc(cc1)O B23433 [1,1,0,0,0,0|1,0,1]=4 718 B9R1.1 CCc1ccc(cc1)S B25026 [1,1,0,0,0,0|1,0,1]=4 719 B9R1.1 CCc1ccc(cc1)[Mg+] H54137 [1,1,0,0,0,0|1,0,1]=4 720 B9R1.1 CCc1ccc(cc1)[Zn+] H58926 [1,1,0,0,0,0|1,0,1]=4 721 B9R1.1 CCc1ccc(nc1)C L06901 [1,1,0,0,0,0|0,0,1]=3 722 B9R1.1 CCc1cnc(nc1)Cl H26856 [1,1,0,0,0,0|1,0,1]=4 723 B9R1.1 CNc1ccc(cc1)Br H55273 [1,1,0,0,0,0|2,0,0]=4 724 B9R1.1 CNc1ccc(cc1)Cl B23962 [1,1,0,0,0,0|2,0,0]=4 725 B9R1.1 CNc1ccc(cc1)F H55105 [1,1,0,0,0,0|2,0,0]=4 726 B9R1.1 CNc1ccc(cc1)O 36674 [1,1,0,0,0,0|2,0,0]=4 727 B9R1.1 CNc1ccc(cc1)O A16236 [1,1,0,0,0,0|2,0,0]=4 728 B9R1.1 COc1ccc(cc1)Br A11824 [1,1,0,0,0,0|2,0,0]=4 729 B9R1.1 COc1ccc(cc1)Cl A11377 [1,1,0,0,0,0|2,0,0]=4 730 B9R1.1 COc1ccc(cc1)F B23048 [1,1,0,0,0,0|2,0,0]=4 731 B9R1.1 COc1ccc(cc1)I A12144 [1,1,0,0,0,0|2,0,0]=4 732 B9R1.1 COc1ccc(cc1)N A10946 [1,1,0,0,0,0|2,0,0]=4 733 B9R1.1 COc1ccc(cc1)O A14845 [1,1,0,0,0,0|2,0,0]=4 734 B9R1.1 COc1ccc(cc1)O B23530 [1,1,0,0,0,0|2,0,0]=4 735 B9R1.1 COc1ccc(cc1)S A16009 [1,1,0,0,0,0|2,0,0]=4 736 B9R1.1 COc1ccc(cc1)[Mg+] 89435 [1,1,0,0,0,0|2,0,0]=4 737 B9R1.1 COc1ccc(cc1)[Mg+] H54317 [1,1,0,0,0,0|2,0,0]=4 738 B9R1.1 COc1ccc(cc1)[Mg+] H55397 [1,1,0,0,0,0|2,0,0]=4 739 B9R1.1 COc1ccc(cc1)[Zn+] H58690 [1,1,0,0,0,0|2,0,0]=4 740 B9R1.1 COc1ccc(nn1)Cl A14173 [1,1,0,0,0,0|2,0,0]=4 741 B9R1.1 COc1cnc(nc1)Cl H60155 [1,1,0,0,0,0|2,0,0]=4 742 B9R1.1 COc1cnc(nc1)N H66799 [1,1,0,0,0,0|2,0,0]=4 743 B9R1.1 CSc1ccc(cc1)Br A15504 [1,1,0,0,0,0|2,0,0]=4 744 B9R1.1 CSc1ccc(cc1)Cl A11025 [1,1,0,0,0,0|2,0,0]=4 745 B9R1.1 CSc1ccc(cc1)F L04979 [1,1,0,0,0,0|2,0,0]=4 746 B9R1.1 CSc1ccc(cc1)N L04950 [1,1,0,0,0,0|2,0,0]=4 747 B9R1.1 CSc1ccc(cc1)O H26225 [1,1,0,0,0,0|2,0,0]=4 748 B9R1.1 CSc1ccc(cc1)S L09580 [1,1,0,0,0,0|2,0,0]=4 749 B9R1.1 CSc1ccc(cc1)[Zn+] H58137 [1,1,0,0,0,0|2,0,0]=4 750 B9R1.1 Cc1ccc(cc1)C=C L01480 [1,1,0,0,0,0|1,0,1]=4 751 B9R1.1 Cc1ccc(cc1)C=O A11384 [1,1,0,0,0,0|1,0,0]=3 752 B9R1.1 Cc1ccc(cc1)OC A11572 [1,1,0,0,0,0|2,0,0]=4 753 B9R1.1 Cc1ccc(cc1)SC L02933 [1,1,0,0,0,0|2,0,0]=4 754 B9R1.1 Cc1ccc(cn1)C#N L09875 [1,1,0,0,0,0|1,0,1]=4 755 B9R1.1 Cc1ccc(cn1)C=O H66926 [1,1,0,0,0,0|0,0,0]=2 756 B9R1.1 c1c(cnc(n1)N)C=O H54440 [1,1,0,0,0,0|1,0,0]=3 757 B9R1.1 c1cc(ccc1C=O)Br A14237 [1,1,0,0,0,0|1,0,0]=3 758 B9R1.1 c1cc(ccc1C=O)Cl A12757 [1,1,0,0,0,0|1,0,0]=3 759 B9R1.1 c1cc(ccc1C=O)F A15383 [1,1,0,0,0,0|1,0,0]=3 760 B9R1.1 c1cc(ccc1C=O)I L17448 [1,1,0,0,0,0|1,0,0]=3 761 B9R1.1 c1cc(ccc1C=O)O A13580 [1,1,0,0,0,0|1,0,0]=3 762 B9R1.1 c1cc(ncc1Br)C=O H50154 [1,1,0,0,0,0|2,0,0]=4 763 B9R1.1 c1cc(ncc1C#N)Br H66177 [1,1,0,0,0,0|1,0,1]=4 764 B9R1.1 c1cc(ncc1C#N)Cl A13291 [1,1,0,0,0,0|1,0,1]=4 765 B9R1.1 c1cc(ncc1C#N)F H64278 [1,1,0,0,0,0|1,0,1]=4 766 B9R1.1 c1cc(ncc1C#N)N L19282 [1,1,0,0,0,0|1,0,1]=4 767 B9R1.1 c1cc(ncc1C=O)Br H63867 [1,1,0,0,0,0|0,0,0]=2 768 B9R1.1 c1cc(ncc1C=O)Cl H55550 [1,1,0,0,0,0|0,0,0]=2 769 B9R1.1 c1cc(ncc1CCl)Cl L19284 [1,1,0,0,0,0|1,0,1]=4 770 B9R1.1 c1cc(ncc1CN)Cl L19283 [1,1,0,0,0,0|1,0,1]=4 771 B9R1.1 c1cc(ncc1CO)Br H61375 [1,1,0,0,0,0|0,0,2]=4 772 B9R1.1 c1cc(ncc1CO)Cl L19285 [1,1,0,0,0,0|0,0,2]=4 773 B9R1.1 c1cc(ncc1CO)N H33416 [1,1,0,0,0,0|0,0,2]=4 774 B9R1.2 C=Cc1cccc(c1)Br B24497 [1,1,0,0,0,0|1,0,1]=4 775 B9R1.2 C=Cc1cccc(c1)Cl B23806 [1,1,0,0,0,0|1,0,1]=4 776 B9R1.2 C=Cc1cccc(c1)F A12406 [1,1,0,0,0,0|1,0,1]=4 777 B9R1.2 CCc1cccc(c1)Br A12258 [1,1,0,0,0,0|1,0,1]=4 778 B9R1.2 CCc1cccc(c1)C L18788 [1,1,0,0,0,0|1,0,1]=4 779 B9R1.2 CCc1cccc(c1)O B23470 [1,1,0,0,0,0|1,0,1]=4 780 B9R1.2 CNc1cccc(c1)Br H55464 [1,1,0,0,0,0|2,0,0]=4 781 B9R1.2 CNc1cccc(c1)Cl A12418 [1,1,0,0,0,0|2,0,0]=4 782 B9R1.2 CNc1cccc(c1)F B22565 [1,1,0,0,0,0|2,0,0]=4 783 B9R1.2 COc1cc(cnc1)Br H27728 [1,1,0,0,0,0|1,0,0]=3 784 B9R1.2 COc1cccc(c1)Br A15625 [1,1,0,0,0,0|2,0,0]=4 785 B9R1.2 COc1cccc(c1)Cl A17327 [1,1,0,0,0,0|2,0,0]=4 786 B9R1.2 COc1cccc(c1)F A10931 [1,1,0,0,0,0|2,0,0]=4 787 B9R1.2 COc1cccc(c1)I A14208 [1,1,0,0,0,0|2,0,0]=4 788 B9R1.2 COc1cccc(c1)N A10815 [1,1,0,0,0,0|2,0,0]=4 789 B9R1.2 COc1cccc(c1)O A12826 [1,1,0,0,0,0|2,0,0]=4 790 B9R1.2 COc1cccc(c1)S A10648 [1,1,0,0,0,0|2,0,0]=4 791 B9R1.2 COc1cccc(c1)[Mg+] H54780 [1,1,0,0,0,0|2,0,0]=4 792 B9R1.2 COc1cccc(c1)[Zn+] H58982 [1,1,0,0,0,0|2,0,0]=4 793 B9R1.2 COc1cncc(n1)N H61990 [1,1,0,0,0,0|2,0,0]=4 794 B9R1.2 CSc1cccc(c1)Br B25406 [1,1,0,0,0,0|2,0,0]=4 795 B9R1.2 CSc1cccc(c1)Cl L11346 [1,1,0,0,0,0|2,0,0]=4 796 B9R1.2 CSc1cccc(c1)N B23184 [1,1,0,0,0,0|2,0,0]=4 797 B9R1.2 Cc1cc(cnc1)C#N L17427 [1,1,0,0,0,0|1,0,1]=4 798 B9R1.2 Cc1cccc(c1)C=C L08072 [1,1,0,0,0,0|1,0,1]=4 799 B9R1.2 Cc1cccc(c1)C=O A15313 [1,1,0,0,0,0|1,0,0]=3 800 B9R1.2 Cc1cccc(c1)OC B21455 [1,1,0,0,0,0|2,0,0]=4 801 B9R1.2 Cc1cccc(n1)C=O H26841 [1,1,0,0,0,0|2,0,0]=4 802 B9R1.2 c1c(cncc1Br)C#N B24835 [1,1,0,0,0,0|1,0,1]=4 803 B9R1.2 c1c(cncc1Br)C=O H59224 [1,1,0,0,0,0|0,0,0]=2 804 B9R1.2 c1c(cncc1Br)CCl H66131 [1,1,0,0,0,0|1,0,1]=4 805 B9R1.2 c1c(cncc1Br)CO H52339 [1,1,0,0,0,0|0,0,2]=4 806 B9R1.2 c1c(cncc1F)C#N H34292 [1,1,0,0,0,0|1,0,1]=4 807 B9R1.2 c1c(cncc1O)C#N H33006 [1,1,0,0,0,0|1,0,1]=4 808 B9R1.2 c1cc(cc(c1)Br)C=O A11941 [1,1,0,0,0,0|1,0,0]=3 809 B9R1.2 c1cc(cc(c1)Cl)C=O A13254 [1,1,0,0,0,0|1,0,0]=3 810 B9R1.2 c1cc(cc(c1)F)C=O A11396 [1,1,0,0,0,0|1,0,0]=3 811 B9R1.2 c1cc(cc(c1)I)C=O L17447 [1,1,0,0,0,0|1,0,0]=3 812 B9R1.2 c1cc(cc(c1)O)C=O A13541 [1,1,0,0,0,0|1,0,0]=3 813 B9R1.2 c1cc(nc(c1)Br)C=O L19518 [1,1,0,0,0,0|2,0,0]=4 814 B9R1.2 c1cc(nc(c1)Cl)C=O H64129 [1,1,0,0,0,0|2,0,0]=4 815 B9R1.2 c1cnc(cc1C=O)Br L19852 [1,1,0,0,0,0|2,0,0]=4 816 B9R1.2 c1cnc(cc1C=O)Cl H50098 [1,1,0,0,0,0|2,0,0]=4 817 B9R1.8 C=CCc1ccccc1 A12965 [1,1,0,0,0,0|1,0,1]=4 818 B9R1.8 CC#Cc1ccccc1 A14272 [1,1,0,0,0,0|1,0,1]=4 819 B9R1.8 CCCc1ccccc1 B21468 [1,1,0,0,0,0|1,0,1]=4 820 B9R1.8 CCNc1ccccc1 A15060 [1,1,0,0,0,0|1,0,1]=4 821 B9R1.8 CCOc1ccccc1 A15501 [1,1,0,0,0,0|1,0,1]=4 822 B9R1.8 CCOc1cnccn1 B25219 [1,1,0,0,0,0|1,0,1]=4 823 B9R1.8 CCSc1ccccc1 A13987 [1,1,0,0,0,0|1,0,1]=4 824 B9R1.8 CNCc1ccccc1 A13746 [1,1,0,0,0,0|1,0,1]=4 825 B9R1.8 CNCc1cccnc1 H50262 [1,1,0,0,0,0|0,0,1]=3 826 B9R1.8 COCc1ccccc1 B23490 [1,1,0,0,0,0|1,0,1]=4 827 B9R1.8 C\N=C\c1ccccc1 B25161 [1,1,0,0,0,0|1,0,0]=3 828 B9R1.8 c1cc(cnc1)CC#N B24964 [1,1,0,0,0,0|0,0,2]=4 829 B9R1.8 c1cc(cnc1)CCN L16311 [1,1,0,0,0,0|0,0,1]=3 830 B9R1.8 c1cc(cnc1)\C=N\O B25679 [1,1,0,0,0,0|0,0,1]=3 831 B9R1.8 c1ccc(cc1)CC=O A14263 [1,1,0,0,0,0|1,0,0]=3 832 B9R1.8 c1ccc(cc1)CCBr A12528 [1,1,0,0,0,0|1,0,1]=4 833 B9R1.8 c1ccc(cc1)CCCl L04891 [1,1,0,0,0,0|1,0,1]=4 834 B9R1.8 c1ccc(cc1)CCN A13402 [1,1,0,0,0,0|1,0,1]=4 835 B9R1.8 c1ccc(cc1)CCO A15241 [1,1,0,0,0,0|1,0,1]=4 836 B9R1.8 c1ccc(cc1)CC[Zn+] H58154 [1,1,0,0,0,0|1,0,1]=4 837 B9R1.8 c1ccc(cc1)N=C=O A12808 [1,1,0,0,0,0|1,0,1]=4 838 B9R1.8 c1ccc(cc1)N=S=O H59451 [1,1,0,0,0,0|2,0,0]=4 839 B9R1.8 c1ccc(cc1)NC=O A12472 [1,1,0,0,0,0|1,0,0]=3 840 B9R1.8 c1ccc(cc1)OC=O L00289 [1,1,0,0,0,0|1,0,0]=3 841 B9R1.8 c1ccc(cc1)\C=C\Br A16986 [1,1,0,0,0,0|1,0,1]=4 842 B9R1.8 c1ccc(cc1)\C=N\O A12053 [1,1,0,0,0,0|1,0,1]=4 843 B9R1.8 c1cnc(cn1)CCS A13045 [1,1,0,0,0,0|1,0,1]=4 844 B9R1.15 C=Cc1ccccc1Br B24181 [1,1,0,0,0,0|1,0,1]=4 845 B9R1.15 C=Cc1ccccc1Cl B21551 [1,1,0,0,0,0|1,0,1]=4 846 B9R1.15 C=Cc1ccccc1F A17425 [1,1,0,0,0,0|1,0,1]=4 847 B9R1.15 CCc1c(nccn1)C A11092 [1,1,0,0,0,0|1,0,1]=4 848 B9R1.15 CCc1ccccc1Br B23449 [1,1,0,0,0,0|1,0,1]=4 849 B9R1.15 CCc1ccccc1C L02028 [1,1,0,0,0,0|1,0,1]=4 850 B9R1.15 CCc1ccccc1I A14509 [1,1,0,0,0,0|1,0,1]=4 851 B9R1.15 CCc1ccccc1N A14984 [1,1,0,0,0,0|1,0,1]=4 852 B9R1.15 CCc1ccccc1O L01637 [1,1,0,0,0,0|1,0,1]=4 853 B9R1.15 CCc1ccccc1S L11498 [1,1,0,0,0,0|1,0,1]=4 854 B9R1.15 CCc1ccccc1[Zn+] H58221 [1,1,0,0,0,0|1,0,1]=4 855 B9R1.15 CCc1cnccc1C B21406 [1,1,0,0,0,0|0,0,1]=3 856 B9R1.15 CNc1ccccc1Br H55166 [1,1,0,0,0,0|2,0,0]=4 857 B9R1.15 CNc1ccccc1Cl A14343 [1,1,0,0,0,0|2,0,0]=4 858 B9R1.15 COc1ccc[nH]c1=O L07080 [1,1,0,0,0,0|1,0,1]=4 859 B9R1.15 COc1ccccc1Br A11692 [1,1,0,0,0,0|2,0,0]=4 860 B9R1.15 COc1ccccc1Cl L06952 [1,1,0,0,0,0|2,0,0]=4 861 B9R1.15 COc1ccccc1F A12380 [1,1,0,0,0,0|2,0,0]=4 862 B9R1.15 COc1ccccc1I A10150 [1,1,0,0,0,0|2,0,0]=4 863 B9R1.15 COc1ccccc1N A10288 [1,1,0,0,0,0|2,0,0]=4 864 B9R1.15 COc1ccccc1O A16319 [1,1,0,0,0,0|2,0,0]=4 865 B9R1.15 COc1ccccc1S L09689 [1,1,0,0,0,0|2,0,0]=4 866 B9R1.15 COc1ccccc1[Mg+] H54579 [1,1,0,0,0,0|2,0,0]=4 867 B9R1.15 COc1ccccc1[Zn+] H58341 [1,1,0,0,0,0|2,0,0]=4 868 B9R1.15 COc1cccnc1Cl L17696 [1,1,0,0,0,0|1,0,0]=3 869 B9R1.15 COc1cccnc1I L19868 [1,1,0,0,0,0|1,0,0]=3 870 B9R1.15 CSc1ccccc1Br A13632 [1,1,0,0,0,0|2,0,0]=4 871 B9R1.15 CSc1ccccc1I A14051 [1,1,0,0,0,0|2,0,0]=4 872 B9R1.15 CSc1ccccc1N A12762 [1,1,0,0,0,0|2,0,0]=4 873 B9R1.15 CSc1ccccc1O L10128 [1,1,0,0,0,0|2,0,0]=4 874 B9R1.15 Cc1c(nccn1)OC L08067 [1,1,0,0,0,0|2,0,0]=4 875 B9R1.15 Cc1c(nccn1)SC A11957 [1,1,0,0,0,0|2,0,0]=4 876 B9R1.15 Cc1ccccc1C=C A12676 [1,1,0,0,0,0|1,0,1]=4 877 B9R1.15 Cc1ccccc1C=O A10172 [1,1,0,0,0,0|1,0,0]=3 878 B9R1.15 Cc1ccccc1OC A13897 [1,1,0,0,0,0|2,0,0]=4 879 B9R1.15 Cc1cccnc1C=O H56168 [1,1,0,0,0,0|2,0,0]=4 880 B9R1.15 Cc1ccncc1C#N L19769 [1,1,0,0,0,0|1,0,1]=4 881 B9R1.15 c1c(c(ncn1)N)C=O H35706 [1,1,0,0,0,0|1,0,0]=3 882 B9R1.15 c1cc(c(nc1)Br)C#N H66881 [1,1,0,0,0,0|1,0,1]=4 883 B9R1.15 c1cc(c(nc1)Br)CBr H52311 [1,1,0,0,0,0|1,0,1]=4 884 B9R1.15 c1cc(c(nc1)Br)CCl H52313 [1,1,0,0,0,0|1,0,1]=4 885 B9R1.15 c1cc(c(nc1)Br)CO H52318 [1,1,0,0,0,0|0,0,2]=4 886 B9R1.15 c1cc(c(nc1)C=O)F H61902 [1,1,0,0,0,0|2,0,0]=4 887 B9R1.15 c1cc(c(nc1)Cl)C#N A14818 [1,1,0,0,0,0|1,0,1]=4 888 B9R1.15 c1cc(c(nc1)Cl)C=O H53399 [1,1,0,0,0,0|0,0,0]=2 889 B9R1.15 c1cc(c(nc1)Cl)CO H63341 [1,1,0,0,0,0|0,0,2]=4 890 B9R1.15 c1cc(c(nc1)F)C#N L19538 [1,1,0,0,0,0|1,0,1]=4 891 B9R1.15 c1cc(c(nc1)N)C#N L19618 [1,1,0,0,0,0|1,0,1]=4 892 B9R1.15 c1cc(c(nc1)N)C=O L19620 [1,1,0,0,0,0|0,0,0]=2 893 B9R1.15 c1cc(c(nc1)N)CO H50010 [1,1,0,0,0,0|0,0,2]=4 894 B9R1.15 c1ccc(c(c1)C=O)Br A15065 [1,1,0,0,0,0|1,0,0]=3 895 B9R1.15 c1ccc(c(c1)C=O)Cl A13488 [1,1,0,0,0,0|1,0,0]=3 896 B9R1.15 c1ccc(c(c1)C=O)F A13800 [1,1,0,0,0,0|1,0,0]=3 897 B9R1.15 c1ccc(c(c1)C=O)I L17446 [1,1,0,0,0,0|1,0,0]=3 898 B9R1.15 c1ccc(c(c1)C=O)O A13833 [1,1,0,0,0,0|1,0,0]=3 899 B9R1.15 c1cncc(c1Br)C#N H27183 [1,1,0,0,0,0|1,0,1]=4 900 B9R1.15 c1cncc(c1C=O)Cl H55852 [1,1,0,0,0,0|2,0,0]=4 901 B9R1.15 c1cncc(c1C=O)N H50024 [1,1,0,0,0,0|2,0,0]=4 902 B9R1.15 c1cncc(c1Cl)CO H66522 [1,1,0,0,0,0|0,0,2]=4 903 B9R1.15 c1cncc(c1I)C#N H27603 [1,1,0,0,0,0|1,0,1]=4 904 B9R1.15 c1cncc(c1N)C=O H50028 [1,1,0,0,0,0|0,0,0]=2 905 B9R1.15 c1cncc(c1N)CO H50033 [1,1,0,0,0,0|0,0,2]=4 906 B9R1.11 CCC(=O)c1ccc[nH]1 B23954 [0,1,0,0,1,0|0,0,1]=3 907 B9R1.11 CCC(=O)c1ccco1 H26754 [0,1,0,0,1,0|1,0,0]=3 908 B9R1.11 CCC(=O)c1cccs1 L02318 [0,1,0,0,1,0|1,0,0]=3 909 B9R1.11 CCC(=O)c1nccs1 B21711 [0,1,0,0,1,0|1,0,0]=3 910 B9R1.11 COC(=O)c1c[nH]cn1 H55932 [0,1,0,0,1,0|1,0,0]=3 911 B9R1.11 COC(=O)c1cc[nH]c1 H54340 [0,1,0,0,1,0|0,0,1]=3 912 B9R1.11 COC(=O)c1cc[nH]n1 H34148 [0,1,0,0,1,0|1,0,0]=3 913 B9R1.11 COC(=O)c1ccc[nH]1 H59437 [0,1,0,0,1,0|0,0,1]=3 914 B9R1.11 COC(=O)c1ccco1 A14009 [0,1,0,0,1,0|1,0,0]=3 915 B9R1.11 COC(=O)c1cccs1 A12677 [0,1,0,0,1,0|1,0,0]=3 916 B9R1.11 COC(=O)c1ccno1 B25169 [0,1,0,0,1,0|1,0,0]=3 917 B9R1.11 COC(=O)c1ccsc1 H61488 [0,1,0,0,1,0|1,0,0]=3 918 B9R1.11 COC(=O)c1nc[nH]n1 B24750 [0,1,0,0,1,0|2,0,0]=4 919 B9R1.11 COC(=O)c1nccs1 H63496 [0,1,0,0,1,0|1,0,0]=3 920 B9R1.11 C\N=C(/N)\n1cccn1 H30607 [0,1,0,0,1,0|2,0,0]=4 921 B9R1.11 c1cc(oc1)C(=O)NN A13630 [0,1,0,0,1,0|2,0,0]=4 922 B9R1.11 c1cc(sc1)C(=O)CBr H51060 [0,1,0,0,1,0|1,0,0]=3 923 B9R1.11 c1cc(sc1)C(=O)NN A11270 [0,1,0,0,1,0|2,0,0]=4 924 B9R1.19 CS(=O)(=O)c1cccs1 B20940 [0,1,0,0,1,0|2,0,0]=4 925 B9R1.19 CS(=O)(=O)n1ccnc1 L00531 [0,1,0,0,1,0|2,0,0]=4 926 B9R1.35 CC(=O)c1cc(cs1)Cl H30384 [0,1,0,0,1,0|1,0,0]=3 927 B9R1.35 CC(=O)c1ccc(s1)Br A14826 [0,1,0,0,1,0|1,0,0]=3 928 B9R1.35 CC(=O)c1ccc(s1)Cl A11850 [0,1,0,0,1,0|1,0,0]=3 929 B9R1.35 CC(=O)c1ccc(s1)I L17852 [0,1,0,0,1,0|1,0,0]=3 930 B9R1.35 Cc1cc([nH]n1)C(=O)O H59899 [0,1,0,0,1,0|2,0,0]=4 931 B9R1.35 Cc1cc(no1)C(=O)Cl H50693 [0,1,0,0,1,0|2,0,0]=4 932 B9R1.35 Cc1cc(no1)C(=O)N H63986 [0,1,0,0,1,0|2,0,0]=4 933 B9R1.35 Cc1cc(no1)C(=O)O L17577 [0,1,0,0,1,0|2,0,0]=4 934 B9R1.35 Cc1cc(on1)C(=O)O H63740 [0,1,0,0,1,0|2,0,0]=4 935 B9R1.35 Cc1cc(sc1)C(=O)C L17617 [0,1,0,0,1,0|1,0,0]=3 936 B9R1.35 Cc1ccc(o1)C(=O)C A16172 [0,1,0,0,1,0|1,0,0]=3 937 B9R1.35 Cc1ccc(o1)C(=O)Cl H27697 [0,1,0,0,1,0|2,0,0]=4 938 B9R1.35 Cc1ccc(s1)C(=O)C A11282 [0,1,0,0,1,0|1,0,0]=3 939 B9R1.35 Cc1ccc(s1)C(=O)O A17737 [0,1,0,0,1,0|2,0,0]=4 940 B9R1.35 Cc1ccn(n1)C(=O)N A14584 [0,1,0,0,1,0|2,0,0]=4 941 B9R1.35 Cc1cnc(s1)C(=O)O H63076 [0,1,0,0,1,0|2,0,0]=4 942 B9R1.35 Cc1csc(n1)C(=O)O H63065 [0,1,0,0,1,0|2,0,0]=4 943 B9R1.35 Cn1cc(nc1)C(=O)O H51866 [0,1,0,0,1,0|2,0,0]=4 944 B9R1.35 Cn1ccc(n1)C(=O)O H50317 [0,1,0,0,1,0|2,0,0]=4 945 B9R1.35 c1c(coc1C(=O)N)Br H52355 [0,1,0,0,1,0|2,0,0]=4 946 B9R1.35 c1c(nc(s1)N)C(=O)N H66557 [0,1,0,0,1,0|2,0,0]=4 947 B9R1.35 c1c(nc(s1)N)C(=O)O H66459 [0,1,0,0,1,0|2,0,0]=4 948 B9R1.35 c1c(sc(n1)Br)C(=O)O H27203 [0,1,0,0,1,0|2,0,0]=4 949 B9R1.35 c1cc(oc1C(=O)O)Br A14840 [0,1,0,0,1,0|2,0,0]=4 950 B9R1.35 c1cc(sc1C(=O)Cl)Cl H61474 [0,1,0,0,1,0|2,0,0]=4 951 B9R1.35 c1cc(sc1C(=O)O)Br A19242 [0,1,0,0,1,0|2,0,0]=4 952 B9R1.35 c1cc(sc1C(=O)O)Cl A15209 [0,1,0,0,1,0|2,0,0]=4 953 B9R1.41 CC(=O)c1c(ccs1)Br L20113 [0,1,0,0,1,0|1,0,0]=3 954 B9R1.41 CC(=O)c1c(ccs1)Cl L20114 [0,1,0,0,1,0|1,0,0]=3 955 B9R1.41 CC(=O)c1c(ccs1)N L10563 [0,1,0,0,1,0|1,0,0]=3 956 B9R1.41 CC(=O)c1cccn1C A15353 [0,1,0,0,1,0|0,0,1]=3 957 B9R1.41 Cc1c(cco1)C(=O)Cl H27206 [0,1,0,0,1,0|2,0,0]=4 958 B9R1.41 Cc1c(cco1)C(=O)O B24928 [0,1,0,0,1,0|2,0,0]=4 959 B9R1.41 Cc1c(cno1)C(=O)O L14628 [0,1,0,0,1,0|2,0,0]=4 960 B9R1.41 Cc1c(con1)C(=O)O L16307 [0,1,0,0,1,0|2,0,0]=4 961 B9R1.41 Cc1c(scn1)C(=O)O H32662 [0,1,0,0,1,0|2,0,0]=4 962 B9R1.41 Cc1ccoc1C(=O)O L01763 [0,1,0,0,1,0|2,0,0]=4 963 B9R1.41 Cc1ccsc1C(=O)C L04086 [0,1,0,0,1,0|1,0,0]=3 964 B9R1.41 Cc1ccsc1C(=O)Cl L17989 [0,1,0,0,1,0|2,0,0]=4 965 B9R1.41 Cc1ccsc1C(=O)N L18092 [0,1,0,0,1,0|2,0,0]=4 966 B9R1.41 Cc1ccsc1C(=O)O A19194 [0,1,0,0,1,0|2,0,0]=4 967 B9R1.41 Cn1c(ccn1)C(=O)O H32874 [0,1,0,0,1,0|2,0,0]=4 968 B9R1.41 Cn1cccc1C(=O)Cl L18431 [0,1,0,0,1,0|1,0,1]=4 969 B9R1.41 Cn1cccc1C(=O)O L05906 [0,1,0,0,1,0|1,0,1]=4 970 B9R1.41 Cn1ccnc1C(=O)O H51859 [0,1,0,0,1,0|2,0,0]=4 971 B9R1.41 Cn1cncc1C(=O)O H51106 [0,1,0,0,1,0|2,0,0]=4 972 B9R1.41 c1[nH]c(c(n1)N)C(=O)N B24012 [0,1,0,0,1,0|2,0,0]=4 973 B9R1.41 c1[nH]c(c(n1)N)C(=O)N H66184 [0,1,0,0,1,0|2,0,0]=4 974 B9R1.41 c1c(c(n[nH]1)N)C(=O)N L06521 [0,1,0,0,1,0|2,0,0]=4 975 B9R1.41 c1c(c(n[nH]1)N)C(=O)O B23751 [0,1,0,0,1,0|2,0,0]=4 976 B9R1.41 c1csc(c1Br)C(=O)N L16138 [0,1,0,0,1,0|2,0,0]=4 977 B9R1.41 c1csc(c1Br)C(=O)O A11935 [0,1,0,0,1,0|2,0,0]=4 978 B9R1.41 c1csc(c1Cl)C(=O)O L13560 [0,1,0,0,1,0|2,0,0]=4 979 B9R1.41 c1csc(c1N)C(=O)N L12371 [0,1,0,0,1,0|2,0,0]=4 980 B11R1.20 CC(=O)Cc1ccc(cc1)Br A19028 [0,1,0,0,0,1|1,0,0]=3 981 B11R1.20 CC(=O)Cc1ccc(cc1)F L11720 [0,1,0,0,0,1|1,0,0]=3 982 B11R1.20 CC(=O)Cc1ccc(cc1)O A18936 [0,1,0,0,0,1|1,0,0]=3 983 B11R1.20 CC(=O)Nc1ccc(cc1)Br L02924 [0,1,0,0,0,1|1,0,0]=3 984 B11R1.20 CC(=O)Nc1ccc(cc1)Cl A11214 [0,1,0,0,0,1|1,0,0]=3 985 B11R1.20 CC(=O)Nc1ccc(cc1)F A18974 [0,1,0,0,0,1|1,0,0]=3 986 B11R1.20 CC(=O)Nc1ccc(cc1)N A13937 [0,1,0,0,0,1|1,0,0]=3 987 B11R1.20 CC(=O)Nc1ccc(cc1)N B20740 [0,1,0,0,0,1|1,0,0]=3 988 B11R1.20 CC(=O)Nc1ccc(cc1)O A11240 [0,1,0,0,0,1|1,0,0]=3 989 B11R1.20 CC(=O)Nc1ccc(cc1)S B23932 [0,1,0,0,0,1|1,0,0]=3 990 B11R1.20 CC(=O)Nc1ccc(cn1)Br H27456 [0,1,0,0,0,1|2,0,0]=4 991 B11R1.20 CC(=O)Nc1ccc(cn1)N L20004 [0,1,0,0,0,1|2,0,0]=4 992 B11R1.20 CC(=O)Oc1ccc(cc1)F B21356 [0,1,0,0,0,1|1,0,0]=3 993 B11R1.20 Cc1ccc(cc1)CC(=O)C B24728 [0,1,0,0,0,1|1,0,0]=3 994 B11R1.20 Cc1ccc(cc1)CC(=O)Cl H37997 [0,1,0,0,0,1|2,0,0]=4 995 B11R1.20 Cc1ccc(cc1)CC(=O)O A15129 [0,1,0,0,0,1|2,0,0]=4 996 B11R1.20 Cc1ccc(cc1)NC(=O)C A13721 [0,1,0,0,0,1|1,0,0]=3 997 B11R1.20 Cc1ccc(cc1)NC(=O)N A11150 [0,1,0,0,0,1|2,0,0]=4 998 B11R1.20 c1cc(ccc1CC(=O)Cl)Cl A12530 [0,1,0,0,0,1|2,0,0]=4 999 B11R1.20 c1cc(ccc1CC(=O)Cl)F L19235 [0,1,0,0,0,1|2,0,0]=4 1000 B11R1.20 c1cc(ccc1CC(=O)N)O A15266 [0,1,0,0,0,1|2,0,0]=4 1001 B11R1.20 c1cc(ccc1CC(=O)O)Br A15325 [0,1,0,0,0,1|2,0,0]=4 1002 B11R1.20 c1cc(ccc1CC(=O)O)Cl A14974 [0,1,0,0,0,1|2,0,0]=4 1003 B11R1.20 c1cc(ccc1CC(=O)O)F A10646 [0,1,0,0,0,1|2,0,0]=4 1004 B11R1.20 c1cc(ccc1CC(=O)O)I L13345 [0,1,0,0,0,1|2,0,0]=4 1005 B11R1.20 c1cc(ccc1CC(=O)O)N A14675 [0,1,0,0,0,1|2,0,0]=4 1006 B11R1.20 c1cc(ccc1CC(=O)O)O A15018 [0,1,0,0,0,1|2,0,0]=4 1007 B11R1.20 c1cc(ccc1CC(=O)O)S H27658 [0,1,0,0,0,1|2,0,0]=4 1008 B11R1.20 c1cc(ccc1NC(=O)N)Br L11074 [0,1,0,0,0,1|2,0,0]=4 1009 B11R1.20 c1cc(ccc1NC(=O)N)Cl B25090 [0,1,0,0,0,1|2,0,0]=4 1010 B11R1.20 c1cc(ccc1NC(=O)N)F L01314 [0,1,0,0,0,1|2,0,0]=4 1011 B11R1.20 c1cc(ccc1OC(=O)Cl)Cl 31175 [0,1,0,0,0,1|2,0,0]=4 1012 B11R1.20 c1cc(ncc1CC(=O)O)Cl H27966 [0,1,0,0,0,1|1,0,0]=3 1013 B11R1.20 c1cc(ncc1NC(=S)N)Br H34038 [0,1,0,0,0,1|1,1,0]=4 1014 B11R1.20 c1cc(ncc1NC(=S)N)Cl H33053 [0,1,0,0,0,1|1,1,0]=4 1015 B11R1.36 CC(=C)C(c1ccccc1)O B20936 [0,1,0,0,0,1|2,0,0]=4 1016 B11R1.36 CC(c1ccccc1)C(=O)O L00709 [0,1,0,0,0,1|2,0,0]=4 1017 B11R1.36 C[C@@H](c1ccccc1)C(=O)O L08802 [0,1,0,0,0,1|2,0,0]=4 1018 B11R1.36 C[C@H](c1ccccc1)C(=O)O A17639 [0,1,0,0,0,1|2,0,0]=4 1019 B11R1.36 c1ccc(cc1)C(=O)C(=O)O L00648 [0,1,0,0,0,1|2,0,0]=4 1020 B11R1.36 c1ccc(cc1)C(C(=O)N)O L04679 [0,1,0,0,0,1|2,0,0]=4 1021 B11R1.36 c1ccc(cc1)C(C(=O)O)F L01745 [0,1,0,0,0,1|2,0,0]=4 1022 B11R1.36 c1ccc(cc1)C(C(=O)O)N B21129 [0,1,0,0,0,1|2,0,0]=4 1023 B11R1.36 c1ccc(cc1)C(C(=O)O)O A14223 [0,1,0,0,0,1|2,0,0]=4 1024 B11R1.36 c1ccc(cc1)[C@@H](C(=O)Cl)N H56828 [0,1,0,0,0,1|2,0,0]=4 1025 B11R1.36 c1ccc(cc1)[C@@H](C(=O)N)N H65751 [0,1,0,0,0,1|2,0,0]=4 1026 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)N A15669 [0,1,0,0,0,1|2,0,0]=4 1027 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)N A19360 [0,1,0,0,0,1|2,0,0]=4 1028 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)O A15061 [0,1,0,0,0,1|2,0,0]=4 1029 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)O A14767 [0,1,0,0,0,1|2,0,0]=4 1030 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)O L19116 [0,1,0,0,0,1|2,0,0]=4 1031 B11R1.40 C=CC(=O)Oc1ccccc1 L11819 [0,1,0,0,0,1|1,0,1]=4 1032 B11R1.40 CCC(=O)Nc1ccccc1 H31832 [0,1,0,0,0,1|1,0,0]=3 1033 B11R1.40 COC(=O)Cc1ccccc1 A15537 [0,1,0,0,0,1|1,0,0]=3 1034 B11R1.40 COC(=O)Nc1cccnc1 H63484 [0,1,0,0,0,1|0,0,0]=2 1035 B11R1.40 COC(=O)Oc1ccccc1 B25232 [0,1,0,0,0,1|1,0,0]=3 1036 B11R1.40 C\C(=C/c1ccccc1)\C=O A10429 [0,1,0,0,0,1|1,0,0]=3 1037 B11R1.40 c1ccc(cc1)NC(=O)NN B25578 [0,1,0,0,0,1|2,0,0]=4 1038 B11R1.40 c1ccc(cc1)OC(=O)CBr H60464 [0,1,0,0,0,1|1,0,0]=3 1039 B11R1.40 c1ccc(cc1)\C=C(\C=O)/Br A14230 [0,1,0,0,0,1|2,0,0]=4 1040 B11R1.86 CC(=O)Cc1ccccc1Cl L09846 [0,1,0,0,0,1|1,0,0]=3 1041 B11R1.86 CC(=O)Cc1ccccc1F H61535 [0,1,0,0,0,1|1,0,0]=3 1042 B11R1.86 CC(=O)Nc1ccccc1Br L20132 [0,1,0,0,0,1|1,0,0]=3 1043 B11R1.86 CC(=O)Nc1ccccc1Cl A14711 [0,1,0,0,0,1|1,0,0]=3 1044 B11R1.86 CC(=O)Nc1ccccc1F A16927 [0,1,0,0,0,1|1,0,0]=3 1045 B11R1.86 CC(=O)Nc1ccccc1N H27343 [0,1,0,0,0,1|1,0,0]=3 1046 B11R1.86 CC(=O)Nc1ccccc1O B21264 [0,1,0,0,0,1|1,0,0]=3 1047 B11R1.86 Cc1ccccc1CC(=O)Cl H37418 [0,1,0,0,0,1|2,0,0]=4 1048 B11R1.86 Cc1ccccc1CC(=O)O A15783 [0,1,0,0,0,1|2,0,0]=4 1049 B11R1.86 Cc1ccccc1NC(=O)C A13235 [0,1,0,0,0,1|1,0,0]=3 1050 B11R1.86 Cc1ccccc1NC(=O)N B23086 [0,1,0,0,0,1|2,0,0]=4 1051 B11R1.86 c1ccc(c(c1)CC(=O)O)Br A16900 [0,1,0,0,0,1|2,0,0]=4 1052 B11R1.86 c1ccc(c(c1)CC(=O)O)Cl A15834 [0,1,0,0,0,1|2,0,0]=4 1053 B11R1.86 c1ccc(c(c1)CC(=O)O)F A10596 [0,1,0,0,0,1|2,0,0]=4 1054 B11R1.86 c1ccc(c(c1)CC(=O)O)I L15116 [0,1,0,0,0,1|2,0,0]=4 1055 B11R1.86 c1ccc(c(c1)CC(=O)O)O A13924 [0,1,0,0,0,1|2,0,0]=4 1056 B11R1.86 c1ccc(c(c1)NC(=O)N)F L01247 [0,1,0,0,0,1|2,0,0]=4 1057 B11R1.157 CC(=O)Cc1cccc(c1)F B22061 [0,1,0,0,0,1|1,0,0]=3 1058 B11R1.157 CC(=O)Nc1cccc(c1)Cl A14921 [0,1,0,0,0,1|1,0,0]=3 1059 B11R1.157 CC(=O)Nc1cccc(c1)F B22889 [0,1,0,0,0,1|1,0,0]=3 1060 B11R1.157 CC(=O)Nc1cccc(c1)N H60629 [0,1,0,0,0,1|1,0,0]=3 1061 B11R1.157 CC(=O)Nc1cccc(c1)O A12764 [0,1,0,0,0,1|1,0,0]=3 1062 B11R1.157 CC(=O)Oc1cccc(c1)F L13465 [0,1,0,0,0,1|1,0,0]=3 1063 B11R1.157 Cc1cccc(c1)CC(=O)Cl H37453 [0,1,0,0,0,1|2,0,0]=4 1064 B11R1.157 Cc1cccc(c1)CC(=O)O A17743 [0,1,0,0,0,1|2,0,0]=4 1065 B11R1.157 Cc1cccc(c1)NC(=O)N B20749 [0,1,0,0,0,1|2,0,0]=4 1066 B11R1.157 Cc1cccc(c1)OC(=O)C L14602 [0,1,0,0,0,1|1,0,0]=3 1067 B11R1.157 Cc1cccc(n1)NC(=O)C H32034 [0,1,0,0,0,1|2,0,0]=4 1068 B11R1.157 c1c(cncc1Br)CC(=O)O L13579 [0,1,0,0,0,1|1,0,0]=3 1069 B11R1.157 c1cc(cc(c1)Br)CC(=O)O B20758 [0,1,0,0,0,1|2,0,0]=4 1070 B11R1.157 c1cc(cc(c1)Br)NC(=O)N L11370 [0,1,0,0,0,1|2,0,0]=4 1071 B11R1.157 c1cc(cc(c1)Cl)CC(=O)O A11210 [0,1,0,0,0,1|2,0,0]=4 1072 B11R1.157 c1cc(cc(c1)F)CC(=O)O A15635 [0,1,0,0,0,1|2,0,0]=4 1073 B11R1.157 c1cc(cc(c1)I)CC(=O)O L15117 [0,1,0,0,0,1|2,0,0]=4 1074 B11R1.157 c1cc(cc(c1)O)CC(=O)O B23563 [0,1,0,0,0,1|2,0,0]=4 1075 B11R1.509 CS(=O)(=O)Cc1ccccc1 L04233 [0,1,0,0,0,1|2,0,0]=4 1076 B11R1.509 CS(=O)(=O)Oc1ccccc1 H55995 [0,1,0,0,0,1|2,0,0]=4 1077 B11R1.3 C#Cc1ccc(cc1)C(=O)[O-] L19292 [0,2,0,0,0,0|2,0,0]=4 1078 B11R1.3 C=Cc1ccc(cc1)C(=O)O A11107 [0,2,0,0,0,0|2,0,0]=4 1079 B11R1.3 CC(=O)c1ccc(cc1)C#N A14271 [0,2,0,0,0,0|1,0,0]=3 1080 B11R1.3 CC(=O)c1ccc(cc1)NC H55301 [0,2,0,0,0,0|1,0,0]=3 1081 B11R1.3 CC(=O)c1ccc(cc1)OC A11162 [0,2,0,0,0,0|1,0,0]=3 1082 B11R1.3 CC(=O)c1ccc(cc1)SC L18074 [0,2,0,0,0,0|1,0,0]=3 1083 B11R1.3 CCc1ccc(cc1)C(=O)C B21557 [0,2,0,0,0,0|1,0,0]=3 1084 B11R1.3 CCc1ccc(cc1)C(=O)Cl A11698 [0,2,0,0,0,0|2,0,0]=4 1085 B11R1.3 CCc1ccc(cc1)C(=O)N L08339 [0,2,0,0,0,0|2,0,0]=4 1086 B11R1.3 CCc1ccc(cc1)C(=O)O A10235 [0,2,0,0,0,0|2,0,0]=4 1087 B11R1.3 CNc1ccc(cc1)C(=O)O A12426 [0,2,0,0,0,0|2,0,0]=4 1088 B11R1.3 COc1ccc(cc1)C(=O)Cl L13120 [0,2,0,0,0,0|2,0,0]=4 1089 B11R1.3 COc1ccc(cc1)C(=O)N B22614 [0,2,0,0,0,0|2,0,0]=4 1090 B11R1.3 COc1ccc(cc1)C(=O)O A15697 [0,2,0,0,0,0|2,0,0]=4 1091 B11R1.3 COc1cnc(cn1)C(=O)O H66826 [0,2,0,0,0,0|2,0,0]=4 1092 B11R1.3 CSc1ccc(cc1)C(=O)O B25706 [0,2,0,0,0,0|2,0,0]=4 1093 B11R1.3 c1cc(ccc1C#N)C(=O)Cl B24333 [0,2,0,0,0,0|2,0,0]=4 1094 B11R1.3 c1cc(ccc1C#N)C(=O)N B25600 [0,2,0,0,0,0|2,0,0]=4 1095 B11R1.3 c1cc(ccc1C#N)C(=O)O A15434 [0,2,0,0,0,0|2,0,0]=4 1096 B11R1.3 c1cc(ccc1C(=O)O)NN A13874 [0,2,0,0,0,0|2,0,0]=4 1097 B11R1.3 c1cc(ccc1C(=O)O)NN B20326 [0,2,0,0,0,0|2,0,0]=4 1098 B11R1.3 c1cc(ccc1C=O)C(=O)O A15277 [0,2,0,0,0,0|2,0,0]=4 1099 B11R1.3 c1cc(ccc1CBr)C(=O)Br H37682 [0,2,0,0,0,0|2,0,0]=4 1100 B11R1.3 c1cc(ccc1CBr)C(=O)O L03371 [0,2,0,0,0,0|2,0,0]=4 1101 B11R1.3 c1cc(ccc1CCl)C(=O)O B22275 [0,2,0,0,0,0|2,0,0]=4 1102 B11R1.3 c1cc(ccc1CN)C(=O)O B23519 [0,2,0,0,0,0|2,0,0]=4 1103 B11R1.3 c1cc(ccc1CO)C(=O)O B22183 [0,2,0,0,0,0|2,0,0]=4 1104 B11R1.3 c1cc(ncc1C(=O)O)C#N L17127 [0,2,0,0,0,0|1,0,0]=3 1105 B11R1.19 CS(=O)(=O)c1ccc(cc1)Br A11427 [0,2,0,0,0,0|2,0,0]=4 1106 B11R1.19 CS(=O)(=O)c1ccc(cc1)Cl A15429 [0,2,0,0,0,0|2,0,0]=4 1107 B11R1.19 CS(=O)(=O)c1ccc(cc1)F A12863 [0,2,0,0,0,0|2,0,0]=4 1108 B11R1.19 CS(=O)(=O)c1ccc(cc1)N B23202 [0,2,0,0,0,0|2,0,0]=4 1109 B11R1.19 CS(=O)(=O)c1ccc(cc1)N H64697 [0,2,0,0,0,0|2,0,0]=4 1110 B11R1.19 CS(=O)(=O)c1ccc(cc1)O H32935 [0,2,0,0,0,0|2,0,0]=4 1111 B11R1.19 Cc1ccc(cc1)S(=O)(=O)C A11531 [0,2,0,0,0,0|2,0,0]=4 1112 B11R1.21 CC(=O)c1ccc(c(c1)Br)F B22091 [0,2,0,0,0,0|1,0,0]=3 1113 B11R1.21 CC(=O)c1ccc(c(c1)Cl)Cl A13568 [0,2,0,0,0,0|1,0,0]=3 1114 B11R1.21 CC(=O)c1ccc(c(c1)Cl)F A15158 [0,2,0,0,0,0|1,0,0]=3 1115 B11R1.21 CC(=O)c1ccc(c(c1)F)Br H62040 [0,2,0,0,0,0|1,0,0]=3 1116 B11R1.21 CC(=O)c1ccc(c(c1)F)Cl H26373 [0,2,0,0,0,0|1,0,0]=3 1117 B11R1.21 CC(=O)c1ccc(c(c1)F)F A15832 [0,2,0,0,0,0|1,0,0]=3 1118 B11R1.21 CC(=O)c1ccc(c(c1)F)O L19892 [0,2,0,0,0,0|1,0,0]=3 1119 B11R1.21 CC(=O)c1ccc(c(c1)O)F H32965 [0,2,0,0,0,0|1,0,0]=3 1120 B11R1.21 Cc1cc(ccc1Br)C(=O)Cl L16157 [0,2,0,0,0,0|2,0,0]=4 1121 B11R1.21 Cc1cc(ccc1Br)C(=O)N L16176 [0,2,0,0,0,0|2,0,0]=4 1122 B11R1.21 Cc1cc(ccc1Br)C(=O)O A14302 [0,2,0,0,0,0|2,0,0]=4 1123 B11R1.21 Cc1cc(ccc1Cl)C(=O)C L06011 [0,2,0,0,0,0|1,0,0]=3 1124 B11R1.21 Cc1cc(ccc1Cl)C(=O)Cl H66109 [0,2,0,0,0,0|2,0,0]=4 1125 B11R1.21 Cc1cc(ccc1Cl)C(=O)O L08533 [0,2,0,0,0,0|2,0,0]=4 1126 B11R1.21 Cc1cc(ccc1F)C(=O)C H32499 [0,2,0,0,0,0|1,0,0]=3 1127 B11R1.21 Cc1cc(ccc1F)C(=O)Cl B23188 [0,2,0,0,0,0|2,0,0]=4 1128 B11R1.21 Cc1cc(ccc1F)C(=O)O B24112 [0,2,0,0,0,0|2,0,0]=4 1129 B11R1.21 Cc1cc(ccc1N)C(=O)O B24579 [0,2,0,0,0,0|2,0,0]=4 1130 B11R1.21 Cc1cc(ccc1O)C(=O)C A18540 [0,2,0,0,0,0|1,0,0]=3 1131 B11R1.21 Cc1cc(ccc1O)C(=O)O H27792 [0,2,0,0,0,0|2,0,0]=4 1132 B11R1.21 Cc1cc(cnc1Br)[N+](=O)[O-] L19851 [0,2,0,0,0,0|2,0,0]=4 1133 B11R1.21 Cc1cc(cnc1Cl)[N+](=O)[O-] H32594 [0,2,0,0,0,0|2,0,0]=4 1134 B11R1.21 Cc1cc(cnc1N)[N+](=O)[O-] L19844 [0,2,0,0,0,0|2,0,0]=4 1135 B11R1.21 Cc1cc(cnc1O)[N+](=O)[O-] L19866 [0,2,0,0,0,0|2,0,0]=4 1136 B11R1.21 Cc1ccc(cc1Br)C(=O)O A11496 [0,2,0,0,0,0|2,0,0]=4 1137 B11R1.21 Cc1ccc(cc1C)C(=O)C A12187 [0,2,0,0,0,0|1,0,0]=3 1138 B11R1.21 Cc1ccc(cc1C)C(=O)N A11995 [0,2,0,0,0,0|2,0,0]=4 1139 B11R1.21 Cc1ccc(cc1C)C(=O)O A19260 [0,2,0,0,0,0|2,0,0]=4 1140 B11R1.21 Cc1ccc(cc1Cl)C(=O)O B21228 [0,2,0,0,0,0|2,0,0]=4 1141 B11R1.21 Cc1ccc(cc1F)C(=O)C B24108 [0,2,0,0,0,0|1,0,0]=3 1142 B11R1.21 Cc1ccc(cc1F)C(=O)Cl B22846 [0,2,0,0,0,0|2,0,0]=4 1143 B11R1.21 Cc1ccc(cc1F)C(=O)O A12981 [0,2,0,0,0,0|2,0,0]=4 1144 B11R1.21 Cc1ccc(cc1I)C(=O)O A14197 [0,2,0,0,0,0|2,0,0]=4 1145 B11R1.21 Cc1ccc(cc1N)C(=O)N B25367 [0,2,0,0,0,0|2,0,0]=4 1146 B11R1.21 Cc1ccc(cc1N)C(=O)O A12674 [0,2,0,0,0,0|2,0,0]=4 1147 B11R1.21 Cc1ccc(cc1O)C(=O)O B21501 [0,2,0,0,0,0|2,0,0]=4 1148 B11R1.21 c1c(cnc(c1Br)Cl)C(=O)O H32384 [0,2,0,0,0,0|1,0,0]=3 1149 B11R1.21 c1c(cnc(c1Br)F)[N+](=O)[O-] H61500 [0,2,0,0,0,0|2,0,0]=4 1150 B11R1.21 c1c(cnc(c1Br)N)[N+](=O)[O-] H33792 [0,2,0,0,0,0|2,0,0]=4 1151 B11R1.21 c1c(cnc(c1Br)O)[N+](=O)[O-] H66739 [0,2,0,0,0,0|2,0,0]=4 1152 B11R1.21 c1c(cnc(c1Cl)Cl)C(=O)O B25586 [0,2,0,0,0,0|1,0,0]=3 1153 B11R1.21 c1c(cnc(c1Cl)O)C(=O)O A15737 [0,2,0,0,0,0|1,0,0]=3 1154 B11R1.21 c1cc(c(cc1C(=O)Cl)Cl)Cl A17006 [0,2,0,0,0,0|2,0,0]=4 1155 B11R1.21 c1cc(c(cc1C(=O)Cl)Cl)F B20217 [0,2,0,0,0,0|2,0,0]=4 1156 B11R1.21 c1cc(c(cc1C(=O)Cl)F)F L08188 [0,2,0,0,0,0|2,0,0]=4 1157 B11R1.21 c1cc(c(cc1C(=O)N)Br)F H59709 [0,2,0,0,0,0|2,0,0]=4 1158 B11R1.21 c1cc(c(cc1C(=O)N)Cl)Cl A13878 [0,2,0,0,0,0|2,0,0]=4 1159 B11R1.21 c1cc(c(cc1C(=O)N)Cl)F A14392 [0,2,0,0,0,0|2,0,0]=4 1160 B11R1.21 c1cc(c(cc1C(=O)N)F)Br H59993 [0,2,0,0,0,0|2,0,0]=4 1161 B11R1.21 c1cc(c(cc1C(=O)N)F)F A19957 [0,2,0,0,0,0|2,0,0]=4 1162 B11R1.21 c1cc(c(cc1C(=O)N)N)Cl B25294 [0,2,0,0,0,0|2,0,0]=4 1163 B11R1.21 c1cc(c(cc1C(=O)O)Br)Cl L19244 [0,2,0,0,0,0|2,0,0]=4 1164 B11R1.21 c1cc(c(cc1C(=O)O)Br)F B24711 [0,2,0,0,0,0|2,0,0]=4 1165 B11R1.21 c1cc(c(cc1C(=O)O)Br)O B21338 [0,2,0,0,0,0|2,0,0]=4 1166 B11R1.21 c1cc(c(cc1C(=O)O)Cl)Br H27252 [0,2,0,0,0,0|2,0,0]=4 1167 B11R1.21 c1cc(c(cc1C(=O)O)Cl)Cl A15873 [0,2,0,0,0,0|2,0,0]=4 1168 B11R1.21 c1cc(c(cc1C(=O)O)Cl)F A12814 [0,2,0,0,0,0|2,0,0]=4 1169 B11R1.21 c1cc(c(cc1C(=O)O)Cl)N H55590 [0,2,0,0,0,0|2,0,0]=4 1170 B11R1.21 c1cc(c(cc1C(=O)O)Cl)O A12134 [0,2,0,0,0,0|2,0,0]=4 1171 B11R1.21 c1cc(c(cc1C(=O)O)F)Br B25475 [0,2,0,0,0,0|2,0,0]=4 1172 B11R1.21 c1cc(c(cc1C(=O)O)F)Cl H26161 [0,2,0,0,0,0|2,0,0]=4 1173 B11R1.21 c1cc(c(cc1C(=O)O)F)F A15876 [0,2,0,0,0,0|2,0,0]=4 1174 B11R1.21 c1cc(c(cc1C(=O)O)F)I H61724 [0,2,0,0,0,0|2,0,0]=4 1175 B11R1.21 c1cc(c(cc1C(=O)O)F)N H26092 [0,2,0,0,0,0|2,0,0]=4 1176 B11R1.21 c1cc(c(cc1C(=O)O)F)O B22160 [0,2,0,0,0,0|2,0,0]=4 1177 B11R1.21 c1cc(c(cc1C(=O)O)I)Cl H33513 [0,2,0,0,0,0|2,0,0]=4 1178 B11R1.21 c1cc(c(cc1C(=O)O)I)F H33762 [0,2,0,0,0,0|2,0,0]=4 1179 B11R1.21 c1cc(c(cc1C(=O)O)I)N H32263 [0,2,0,0,0,0|2,0,0]=4 1180 B11R1.21 c1cc(c(cc1C(=O)O)N)Br H60627 [0,2,0,0,0,0|2,0,0]=4 1181 B11R1.21 c1cc(c(cc1C(=O)O)N)Cl A12671 [0,2,0,0,0,0|2,0,0]=4 1182 B11R1.21 c1cc(c(cc1C(=O)O)N)F H61233 [0,2,0,0,0,0|2,0,0]=4 1183 B11R1.21 c1cc(c(cc1C(=O)O)N)N A14213 [0,2,0,0,0,0|2,0,0]=4 1184 B11R1.21 c1cc(c(cc1C(=O)O)N)O A13487 [0,2,0,0,0,0|2,0,0]=4 1185 B11R1.21 c1cc(c(cc1C(=O)O)O)F B25340 [0,2,0,0,0,0|2,0,0]=4 1186 B11R1.21 c1cc(c(cc1C(=O)O)O)I H27502 [0,2,0,0,0,0|2,0,0]=4 1187 B11R1.21 c1cc(c(cc1C(=O)O)O)N A10207 [0,2,0,0,0,0|2,0,0]=4 1188 B11R1.21 c1cc(c(cc1C(=O)O)O)O B24016 [0,2,0,0,0,0|2,0,0]=4 1189 B11R1.22 CCC(=O)c1ccc(cc1)Br A14349 [0,2,0,0,0,0|1,0,0]=3 1190 B11R1.22 CCC(=O)c1ccc(cc1)C B21673 [0,2,0,0,0,0|1,0,0]=3 1191 B11R1.22 CCC(=O)c1ccc(cc1)Cl A11633 [0,2,0,0,0,0|1,0,0]=3 1192 B11R1.22 CCC(=O)c1ccc(cc1)F A16219 [0,2,0,0,0,0|1,0,0]=3 1193 B11R1.22 CCC(=O)c1ccc(cc1)O A15314 [0,2,0,0,0,0|1,0,0]=3 1194 B11R1.22 CNC(=O)c1ccc(cc1)Br H57940 [0,2,0,0,0,0|1,0,0]=3 1195 B11R1.22 CNC(=O)c1ccc(cc1)F H57798 [0,2,0,0,0,0|1,0,0]=3 1196 B11R1.22 CNC(=O)c1ccc(cn1)Br H54947 [0,2,0,0,0,0|2,0,0]=4 1197 B11R1.22 COC(=O)c1ccc(=O)oc1 B25330 [0,2,0,0,0,0|1,0,0]=3 1198 B11R1.22 COC(=O)c1ccc(cc1)Br A15517 [0,2,0,0,0,0|1,0,0]=3 1199 B11R1.22 COC(=O)c1ccc(cc1)Cl A10109 [0,2,0,0,0,0|1,0,0]=3 1200 B11R1.22 COC(=O)c1ccc(cc1)F B21504 [0,2,0,0,0,0|1,0,0]=3 1201 B11R1.22 COC(=O)c1ccc(cc1)I A19342 [0,2,0,0,0,0|1,0,0]=3 1202 B11R1.22 COC(=O)c1ccc(cc1)N A11715 [0,2,0,0,0,0|1,0,0]=3 1203 B11R1.22 COC(=O)c1ccc(cc1)O A14289 [0,2,0,0,0,0|1,0,0]=3 1204 B11R1.22 COC(=O)c1ccc(cn1)Br B25415 [0,2,0,0,0,0|2,0,0]=4 1205 B11R1.22 COC(=O)c1ccc(nc1)Cl A10396 [0,2,0,0,0,0|0,0,0]=2 1206 B11R1.22 COC(=O)c1ccc(nc1)F H61302 [0,2,0,0,0,0|0,0,0]=2 1207 B11R1.22 COC(=O)c1ccc(nc1)N H27575 [0,2,0,0,0,0|0,0,0]=2 1208 B11R1.22 COC(=O)c1cnc(cn1)Br H66706 [0,2,0,0,0,0|1,0,0]=3 1209 B11R1.22 COC(=O)c1cnc(cn1)Cl H66306 [0,2,0,0,0,0|1,0,0]=3 1210 B11R1.22 Cc1ccc(cc1)C(=O)CBr B25217 [0,2,0,0,0,0|1,0,0]=3 1211 B11R1.22 Cc1ccc(cc1)C(=O)NC H56446 [0,2,0,0,0,0|1,0,0]=3 1212 B11R1.22 Cc1ccc(cc1)C(=O)NN A12604 [0,2,0,0,0,0|2,0,0]=4 1213 B11R1.22 Cc1ccc(cc1)C(=O)OC B23111 [0,2,0,0,0,0|1,0,0]=3 1214 B11R1.22 Cc1ccc(cn1)C(=O)OC L12276 [0,2,0,0,0,0|0,0,0]=2 1215 B11R1.22 c1cc(ccc1C(=O)C=O)F L20272 [0,2,0,0,0,0|1,0,1]=4 1216 B11R1.22 c1cc(ccc1C(=O)CBr)Br A13687 [0,2,0,0,0,0|1,0,0]=3 1217 B11R1.22 c1cc(ccc1C(=O)CBr)Cl A12607 [0,2,0,0,0,0|1,0,0]=3 1218 B11R1.22 c1cc(ccc1C(=O)CBr)F A15319 [0,2,0,0,0,0|1,0,0]=3 1219 B11R1.22 c1cc(ccc1C(=O)CCl)Cl A15954 [0,2,0,0,0,0|1,0,0]=3 1220 B11R1.22 c1cc(ccc1C(=O)CCl)F B22188 [0,2,0,0,0,0|1,0,0]=3 1221 B11R1.22 c1cc(ccc1C(=O)CN)Br L04292 [0,2,0,0,0,0|1,0,0]=3 1222 B11R1.22 c1cc(ccc1C(=O)NN)Br A18918 [0,2,0,0,0,0|2,0,0]=4 1223 B11R1.22 c1cc(ccc1C(=O)NN)Cl A11911 [0,2,0,0,0,0|2,0,0]=4 1224 B11R1.22 c1cc(ccc1C(=O)NN)F H53496 [0,2,0,0,0,0|2,0,0]=4 1225 B11R1.22 c1cc(ccc1C(=O)NN)N A10963 [0,2,0,0,0,0|2,0,0]=4 1226 B11R1.22 c1cc(ccc1C(=O)NN)O A12702 [0,2,0,0,0,0|2,0,0]=4 1227 B11R1.22 c1cc(ncc1\C(=N\O)\N)N H51720 [0,2,0,0,0,0|1,0,1]=4 1228 B11R1.166 CC(=O)c1c[nH]c(=O)[nH]c1=O 44378 [0,2,0,0,0,0|1,0,1]=4 1229 B11R1.166 CC(=O)c1ccc(cc1Br)Br H61181 [0,2,0,0,0,0|1,0,0]=3 1230 B11R1.166 CC(=O)c1ccc(cc1Br)F L19320 [0,2,0,0,0,0|1,0,0]=3 1231 B11R1.166 CC(=O)c1ccc(cc1Cl)Cl A14428 [0,2,0,0,0,0|1,0,0]=3 1232 B11R1.166 CC(=O)c1ccc(cc1Cl)F L19880 [0,2,0,0,0,0|1,0,0]=3 1233 B11R1.166 CC(=O)c1ccc(cc1F)Br H62127 [0,2,0,0,0,0|1,0,0]=3 1234 B11R1.166 CC(=O)c1ccc(cc1F)F A13420 [0,2,0,0,0,0|1,0,0]=3 1235 B11R1.166 CC(=O)c1ccc(cc1F)O A19884 [0,2,0,0,0,0|1,0,0]=3 1236 B11R1.166 CC(=O)c1ccc(cc1O)Br H61137 [0,2,0,0,0,0|1,0,0]=3 1237 B11R1.166 CC(=O)c1ccc(cc1O)Cl H27309 [0,2,0,0,0,0|1,0,0]=3 1238 B11R1.166 CC(=O)c1ccc(cc1O)F A16030 [0,2,0,0,0,0|1,0,0]=3 1239 B11R1.166 CC(=O)c1ccc(cc1O)O A12066 [0,2,0,0,0,0|1,0,0]=3 1240 B11R1.166 Cc1c(ccc(n1)Br)[N+](=O)[O-] H64299 [0,2,0,0,0,0|2,0,0]=4 1241 B11R1.166 Cc1c(ccc(n1)Cl)[N+](=O)[O-] H31108 [0,2,0,0,0,0|2,0,0]=4 1242 B11R1.166 Cc1c(ccc(n1)F)[N+](=O)[O-] H61877 [0,2,0,0,0,0|2,0,0]=4 1243 B11R1.166 Cc1c(ccc(n1)N)[N+](=O)[O-] H61218 [0,2,0,0,0,0|2,0,0]=4 1244 B11R1.166 Cc1c(ccc(n1)O)[N+](=O)[O-] H25770 [0,2,0,0,0,0|2,0,0]=4 1245 B11R1.166 Cc1c(cnc(n1)N)C(=O)C B20262 [0,2,0,0,0,0|1,0,0]=3 1246 B11R1.166 Cc1cc(c(cn1)C(=O)O)O H66499 [0,2,0,0,0,0|1,0,0]=3 1247 B11R1.166 Cc1cc(ccc1C(=O)C)F H26823 [0,2,0,0,0,0|1,0,0]=3 1248 B11R1.166 Cc1cc(ccc1C(=O)O)Br L03071 [0,2,0,0,0,0|2,0,0]=4 1249 B11R1.166 Cc1cc(ccc1C(=O)O)Cl H27262 [0,2,0,0,0,0|2,0,0]=4 1250 B11R1.166 Cc1cc(ccc1C(=O)O)F H26801 [0,2,0,0,0,0|2,0,0]=4 1251 B11R1.166 Cc1cc(ccc1C(=O)O)N H31657 [0,2,0,0,0,0|2,0,0]=4 1252 B11R1.166 Cc1cc(ccc1C(=O)O)O H60810 [0,2,0,0,0,0|2,0,0]=4 1253 B11R1.166 Cc1cc(ncc1[N+](=O)[O-])Cl H60039 [0,2,0,0,0,0|2,0,0]=4 1254 B11R1.166 Cc1cc(ncc1[N+](=O)[O-])N L19729 [0,2,0,0,0,0|2,0,0]=4 1255 B11R1.166 Cc1cc(ncc1[N+](=O)[O-])O L19867 [0,2,0,0,0,0|2,0,0]=4 1256 B11R1.166 Cc1ccc(c(c1)Br)C(=O)O H60413 [0,2,0,0,0,0|2,0,0]=4 1257 B11R1.166 Cc1ccc(c(c1)C)C(=O)C A12992 [0,2,0,0,0,0|1,0,0]=3 1258 B11R1.166 Cc1ccc(c(c1)C)C(=O)Cl H50387 [0,2,0,0,0,0|2,0,0]=4 1259 B11R1.166 Cc1ccc(c(c1)C)C(=O)O A10589 [0,2,0,0,0,0|2,0,0]=4 1260 B11R1.166 Cc1ccc(c(c1)F)C(=O)C H26695 [0,2,0,0,0,0|1,0,0]=3 1261 B11R1.166 Cc1ccc(c(c1)F)C(=O)Cl H31292 [0,2,0,0,0,0|2,0,0]=4 1262 B11R1.166 Cc1ccc(c(c1)F)C(=O)O H26688 [0,2,0,0,0,0|2,0,0]=4 1263 B11R1.166 Cc1ccc(c(c1)O)C(=O)O L03367 [0,2,0,0,0,0|2,0,0]=4 1264 B11R1.166 Cc1ccc(c(n1)Br)[N+](=O)[O-] H64982 [0,2,0,0,0,0|2,0,0]=4 1265 B11R1.166 Cc1ccc(c(n1)Cl)C(=O)Cl H25878 [0,2,0,0,0,0|1,0,0]=3 1266 B11R1.166 Cc1ccc(c(n1)Cl)C(=O)O A13857 [0,2,0,0,0,0|1,0,0]=3 1267 B11R1.166 Cc1ccc(c(n1)F)[N+](=O)[O-] H64103 [0,2,0,0,0,0|2,0,0]=4 1268 B11R1.166 Cc1ccc(c(n1)N)[N+](=O)[O-] H61729 [0,2,0,0,0,0|2,0,0]=4 1269 B11R1.166 Cc1ccc(c(n1)O)C(=O)O A11842 [0,2,0,0,0,0|1,0,0]=3 1270 B11R1.166 Cc1ccc(c(n1)O)C(=S)N H52239 [0,2,0,0,0,0|1,1,0]=4 1271 B11R1.166 c1c(c(cnc1Cl)C(=O)O)Cl H61381 [0,2,0,0,0,0|1,0,0]=3 1272 B11R1.166 c1cc(c(cc1Br)Br)C(=O)O H32008 [0,2,0,0,0,0|2,0,0]=4 1273 B11R1.166 c1cc(c(cc1Br)Cl)C(=O)O A11527 [0,2,0,0,0,0|2,0,0]=4 1274 B11R1.166 c1cc(c(cc1Br)F)C(=O)Cl L20142 [0,2,0,0,0,0|2,0,0]=4 1275 B11R1.166 c1cc(c(cc1Br)F)C(=O)N H52336 [0,2,0,0,0,0|2,0,0]=4 1276 B11R1.166 c1cc(c(cc1Br)F)C(=O)O B20118 [0,2,0,0,0,0|2,0,0]=4 1277 B11R1.166 c1cc(c(cc1Br)N)C(=O)O H55829 [0,2,0,0,0,0|2,0,0]=4 1278 B11R1.166 c1cc(c(cc1Cl)Br)C(=O)O H59777 [0,2,0,0,0,0|2,0,0]=4 1279 B11R1.166 c1cc(c(cc1Cl)Cl)C(=O)Cl B20815 [0,2,0,0,0,0|2,0,0]=4 1280 B11R1.166 c1cc(c(cc1Cl)Cl)C(=O)N A15915 [0,2,0,0,0,0|2,0,0]=4 1281 B11R1.166 c1cc(c(cc1Cl)Cl)C(=O)O A12372 [0,2,0,0,0,0|2,0,0]=4 1282 B11R1.166 c1cc(c(cc1Cl)F)C(=O)O B25277 [0,2,0,0,0,0|2,0,0]=4 1283 B11R1.166 c1cc(c(cc1Cl)N)C(=O)O A10201 [0,2,0,0,0,0|2,0,0]=4 1284 B11R1.166 c1cc(c(cc1Cl)O)C(=O)O B22520 [0,2,0,0,0,0|2,0,0]=4 1285 B11R1.166 c1cc(c(cc1F)Br)C(=O)N H62497 [0,2,0,0,0,0|2,0,0]=4 1286 B11R1.166 c1cc(c(cc1F)Br)C(=O)O L19321 [0,2,0,0,0,0|2,0,0]=4 1287 B11R1.166 c1cc(c(cc1F)Cl)C(=O)Cl B23439 [0,2,0,0,0,0|2,0,0]=4 1288 B11R1.166 c1cc(c(cc1F)Cl)C(=O)O A14953 [0,2,0,0,0,0|2,0,0]=4 1289 B11R1.166 c1cc(c(cc1F)F)C(=O)Cl A17920 [0,2,0,0,0,0|2,0,0]=4 1290 B11R1.166 c1cc(c(cc1F)F)C(=O)N A10375 [0,2,0,0,0,0|2,0,0]=4 1291 B11R1.166 c1cc(c(cc1F)F)C(=O)O A13403 [0,2,0,0,0,0|2,0,0]=4 1292 B11R1.166 c1cc(c(cc1F)I)C(=O)O H55531 [0,2,0,0,0,0|2,0,0]=4 1293 B11R1.166 c1cc(c(cc1F)N)C(=O)O B21907 [0,2,0,0,0,0|2,0,0]=4 1294 B11R1.166 c1cc(c(cc1F)O)C(=O)O B24992 [0,2,0,0,0,0|2,0,0]=4 1295 B11R1.166 c1cc(c(cc1N)Cl)C(=O)O A10116 [0,2,0,0,0,0|2,0,0]=4 1296 B11R1.166 c1cc(c(cc1N)F)C(=O)O H26146 [0,2,0,0,0,0|2,0,0]=4 1297 B11R1.166 c1cc(c(cc1N)O)C(=O)O B23289 [0,2,0,0,0,0|2,0,0]=4 1298 B11R1.166 c1cc(c(cc1O)O)C(=O)O A13545 [0,2,0,0,0,0|2,0,0]=4 1299 B11R1.166 c1cc(nc(c1C(=O)O)Cl)Cl L20002 [0,2,0,0,0,0|1,0,0]=3 1300 B11R1.166 c1cc(nc(c1C(=O)O)F)Cl H66484 [0,2,0,0,0,0|1,0,0]=3 1301 B11R1.166 c1cc(nc(c1[N+](=O)[O-])Cl)Cl B21255 [0,2,0,0,0,0|2,0,0]=4 1302 B11R1.166 c1cc(nc(c1[N+](=O)[O-])N)Br H33100 [0,2,0,0,0,0|2,0,0]=4 1303 B11R1.166 c1cc(nc(c1[N+](=O)[O-])N)Cl H64634 [0,2,0,0,0,0|2,0,0]=4 1304 B11R1.7 CCS(=O)(=O)c1ccccc1 A10710 [0,2,0,0,0,0|2,0,0]=4 1305 B11R1.7 CNS(=O)(=O)c1ccccc1 H55666 [0,2,0,0,0,0|2,0,0]=4 1306 B11R1.7 COP(=O)(C)c1ccccc1 A18760 [0,2,0,0,0,0|2,0,0]=4 1307 B11R1.7 COS(=O)(=O)c1ccccc1 B24515 [0,2,0,0,0,0|2,0,0]=4 1308 B11R1.12 B(CC)(CC)c1cccnc1 H64225 [0,2,0,0,0,0|2,0,0]=4 1309 B11R1.12 C\C=C(\C=O)/c1ccccc1 A14185 [0,2,0,0,0,0|1,0,0]=3 1310 B11R1.16 C=COC(=O)c1ccccc1 B21805 [0,2,0,0,0,0|1,0,1]=4 1311 B11R1.16 CCCC(=O)c1ccccc1 A11345 [0,2,0,0,0,0|1,0,0]=3 1312 B11R1.16 CCOC(=N)c1ccccc1 L17684 [0,2,0,0,0,0|2,0,0]=4 1313 B11R1.16 CCOC(=O)c1ccccc1 44283 [0,2,0,0,0,0|1,0,0]=3 1314 B11R1.16 CCOC(=O)c1ccccc1 A13057 [0,2,0,0,0,0|1,0,0]=3 1315 B11R1.16 CCOC(=O)c1ccccn1 A13973 [0,2,0,0,0,0|2,0,0]=4 1316 B11R1.16 CCOC(=O)c1cccnc1 L03215 [0,2,0,0,0,0|0,0,0]=2 1317 B11R1.16 CCOC(=O)c1ccncc1 L03010 [0,2,0,0,0,0|2,0,0]=4 1318 B11R1.16 C[C@@H](c1ccccc1)N=C=O L11141 [0,2,0,0,0,0|1,0,1]=4 1319 B11R1.16 C[C@H](c1ccccc1)N=C=O L10305 [0,2,0,0,0,0|1,0,1]=4 1320 B11R1.16 c1ccc(cc1)C(=O)CC#N A14473 [0,2,0,0,0,0|1,0,0]=3 1321 B11R1.16 c1ccc(cc1)C(=O)CCCl A12290 [0,2,0,0,0,0|1,0,0]=3 1322 B11R1.16 c1ccc(cc1)C(=O)N=C=O A11583 [0,2,0,0,0,0|1,0,1]=4 1323 B11R1.16 c1ccc(cc1)C(=O)N=C=S L06964 [0,2,0,0,0,0|1,0,1]=4 1324 B11R1.16 c1ccc(cc1)C(=O)NCO A12250 [0,2,0,0,0,0|1,0,0]=3 1325 B11R1.16 c1ccc(cc1)C(=O)SCO L00523 [0,2,0,0,0,0|1,0,0]=3 1326 B11R1.16 c1ccc(cc1)C(=O)\C=N\O L02098 [0,2,0,0,0,0|1,0,1]=4 1327 B11R1.23 CCC(=O)c1cccc(c1)Br A16757 [0,2,0,0,0,0|1,0,0]=3 1328 B11R1.23 CCC(=O)c1cccc(c1)Cl A12542 [0,2,0,0,0,0|1,0,0]=3 1329 B11R1.23 CCC(=O)c1cccc(c1)F L11922 [0,2,0,0,0,0|1,0,0]=3 1330 B11R1.23 CNC(=O)c1cc(ccn1)Cl H50535 [0,2,0,0,0,0|2,0,0]=4 1331 B11R1.23 CNC(=O)c1cccc(c1)Cl H56565 [0,2,0,0,0,0|1,0,0]=3 1332 B11R1.23 CNC(=O)c1ccnc(c1)Cl H57458 [0,2,0,0,0,0|2,0,0]=4 1333 B11R1.23 COC(=O)c1cc(ccn1)Br H64327 [0,2,0,0,0,0|2,0,0]=4 1334 B11R1.23 COC(=O)c1cc(ccn1)Cl H60532 [0,2,0,0,0,0|2,0,0]=4 1335 B11R1.23 COC(=O)c1cc(cnc1)Br B20908 [0,2,0,0,0,0|0,0,0]=2 1336 B11R1.23 COC(=O)c1cccc(c1)Br A16174 [0,2,0,0,0,0|1,0,0]=3 1337 B11R1.23 COC(=O)c1cccc(c1)Cl B21371 [0,2,0,0,0,0|1,0,0]=3 1338 B11R1.23 COC(=O)c1cccc(c1)N A14766 [0,2,0,0,0,0|1,0,0]=3 1339 B11R1.23 COC(=O)c1cccc(c1)O A14425 [0,2,0,0,0,0|1,0,0]=3 1340 B11R1.23 COC(=O)c1cccc(n1)Cl H64023 [0,2,0,0,0,0|2,0,0]=4 1341 B11R1.23 COC(=O)c1ccnc(c1)N L19869 [0,2,0,0,0,0|2,0,0]=4 1342 B11R1.23 COC(=O)c1cncc(n1)Cl H66682 [0,2,0,0,0,0|1,0,0]=3 1343 B11R1.23 Cc1cc(cnc1)C(=O)OC L16371 [0,2,0,0,0,0|0,0,0]=2 1344 B11R1.23 Cc1cccc(c1)C(=O)NC H56299 [0,2,0,0,0,0|1,0,0]=3 1345 B11R1.23 Cc1cccc(c1)C(=O)NN L01043 [0,2,0,0,0,0|2,0,0]=4 1346 B11R1.23 Cc1cccc(c1)C(=O)OC A10893 [0,2,0,0,0,0|1,0,0]=3 1347 B11R1.23 Cc1cccc(n1)C(=O)OC H33571 [0,2,0,0,0,0|2,0,0]=4 1348 B11R1.23 c1cc(cc(c1)Br)C(=O)CBr A15210 [0,2,0,0,0,0|1,0,0]=3 1349 B11R1.23 c1cc(cc(c1)Br)C(=O)NN A19628 [0,2,0,0,0,0|2,0,0]=4 1350 B11R1.23 c1cc(cc(c1)Cl)C(=O)CBr H66077 [0,2,0,0,0,0|1,0,0]=3 1351 B11R1.23 c1cc(cc(c1)Cl)C(=O)NN L01071 [0,2,0,0,0,0|2,0,0]=4 1352 B11R1.23 c1cc(cc(c1)Cl)C(=O)OO L00286 [0,2,0,0,0,0|2,0,0]=4 1353 B11R1.23 c1cc(cc(c1)F)C(=O)C=O L20278 [0,2,0,0,0,0|1,0,1]=4 1354 B11R1.23 c1cc(cc(c1)N)C(=O)NN A11491 [0,2,0,0,0,0|2,0,0]=4 1355 B11R1.23 c1cc(cc(c1)O)C(=O)NN L04357 [0,2,0,0,0,0|2,0,0]=4 1356 B11R1.222 CCC(=O)c1ccccc1F L12423 [0,2,0,0,0,0|1,0,0]=3 1357 B11R1.222 CCC(=O)c1ccccc1O B25442 [0,2,0,0,0,0|1,0,0]=3 1358 B11R1.222 CNC(=O)c1ccccc1Br H50583 [0,2,0,0,0,0|1,0,0]=3 1359 B11R1.222 CNC(=O)c1ccccc1Cl H56910 [0,2,0,0,0,0|1,0,0]=3 1360 B11R1.222 CNC(=O)c1ccccc1F H56104 [0,2,0,0,0,0|1,0,0]=3 1361 B11R1.222 CNC(=O)c1cccnc1Cl H57963 [0,2,0,0,0,0|0,0,0]=2 1362 B11R1.222 COC(=O)c1c(nccn1)Br H63515 [0,2,0,0,0,0|1,0,0]=3 1363 B11R1.222 COC(=O)c1c(nccn1)Cl H64508 [0,2,0,0,0,0|1,0,0]=3 1364 B11R1.222 COC(=O)c1c(nccn1)N H29172 [0,2,0,0,0,0|1,0,0]=3 1365 B11R1.222 COC(=O)c1ccccc1Br A12435 [0,2,0,0,0,0|1,0,0]=3 1366 B11R1.222 COC(=O)c1ccccc1Cl A11237 [0,2,0,0,0,0|1,0,0]=3 1367 B11R1.222 COC(=O)c1ccccc1F A16133 [0,2,0,0,0,0|1,0,0]=3 1368 B11R1.222 COC(=O)c1ccccc1I A13204 [0,2,0,0,0,0|1,0,0]=3 1369 B11R1.222 COC(=O)c1ccccc1N A15681 [0,2,0,0,0,0|1,0,0]=3 1370 B11R1.222 COC(=O)c1ccccc1O A10578 [0,2,0,0,0,0|1,0,0]=3 1371 B11R1.222 COC(=O)c1ccccc1S H28400 [0,2,0,0,0,0|1,0,0]=3 1372 B11R1.222 COC(=O)c1cccnc1Cl H64798 [0,2,0,0,0,0|0,0,0]=2 1373 B11R1.222 COC(=O)c1cccnc1N H50013 [0,2,0,0,0,0|0,0,0]=2 1374 B11R1.222 COC(=O)c1cccnc1O H33334 [0,2,0,0,0,0|0,0,0]=2 1375 B11R1.222 COC(=O)c1cccoc1=O H25932 [0,2,0,0,0,0|1,0,0]=3 1376 B11R1.222 COC(=O)c1ccncc1N H34007 [0,2,0,0,0,0|2,0,0]=4 1377 B11R1.222 COC(=O)c1cnccc1N B25324 [0,2,0,0,0,0|0,0,0]=2 1378 B11R1.222 Cc1c(cccn1)C(=O)OC L09074 [0,2,0,0,0,0|0,0,0]=2 1379 B11R1.222 Cc1ccccc1C(=O)CBr H64651 [0,2,0,0,0,0|1,0,0]=3 1380 B11R1.222 Cc1ccccc1C(=O)NN L00668 [0,2,0,0,0,0|2,0,0]=4 1381 B11R1.222 Cc1ccccc1C(=O)OC A15695 [0,2,0,0,0,0|1,0,0]=3 1382 B11R1.222 c1cc(c(nc1)Cl)\C(=N\O)\N H65400 [0,2,0,0,0,0|1,0,1]=4 1383 B11R1.222 c1ccc(c(c1)C(=O)CBr)Cl H27303 [0,2,0,0,0,0|1,0,0]=3 1384 B11R1.222 c1ccc(c(c1)C(=O)CBr)F H34179 [0,2,0,0,0,0|1,0,0]=3 1385 B11R1.222 c1ccc(c(c1)C(=O)CBr)O B25722 [0,2,0,0,0,0|1,0,0]=3 1386 B11R1.222 c1ccc(c(c1)C(=O)NN)Br L00937 [0,2,0,0,0,0|2,0,0]=4 1387 B11R1.222 c1ccc(c(c1)C(=O)NN)Cl A11361 [0,2,0,0,0,0|2,0,0]=4 1388 B11R1.222 c1ccc(c(c1)C(=O)NN)F B24921 [0,2,0,0,0,0|2,0,0]=4 1389 B11R1.222 c1ccc(c(c1)C(=O)NN)N A10805 [0,2,0,0,0,0|2,0,0]=4 1390 B11R1.222 c1ccc(c(c1)C(=O)NN)O A14218 [0,2,0,0,0,0|2,0,0]=4 1391 B11R1.222 c1ccc(c(c1)C(=O)NO)O A11528 [0,2,0,0,0,0|2,0,0]=4 1392 B11R1.87 c1cncc(c1Cl)S(=O)(=O)N L19493 [0,2,0,0,0,0|2,0,0]=4 1393 B11R1.87 c1cncc(c1N)S(=O)(=O)O H25955 [0,2,0,0,0,0|2,0,0]=4 1394 B11R1.87 c1cncc(c1O)S(=O)(=O)O L20046 [0,2,0,0,0,0|2,0,0]=4 1395 B11R1.53 C=Cc1ccccc1C(=O)O H31723 [0,2,0,0,0,0|2,0,0]=4 1396 B11R1.53 CC(=O)c1ccccc1OC A11929 [0,2,0,0,0,0|1,0,0]=3 1397 B11R1.53 CCc1c(nccn1)C(=O)C A15674 [0,2,0,0,0,0|1,0,0]=3 1398 B11R1.53 CNc1ccccc1C(=O)O B20531 [0,2,0,0,0,0|2,0,0]=4 1399 B11R1.53 COc1c(cccn1)C(=O)O A13193 [0,2,0,0,0,0|1,0,0]=3 1400 B11R1.53 COc1c(cccn1)[N+](=O)[O-] A18306 [0,2,0,0,0,0|2,0,0]=4 1401 B11R1.53 COc1ccccc1C(=O)Cl B22784 [0,2,0,0,0,0|2,0,0]=4 1402 B11R1.53 COc1ccccc1C(=O)N A12520 [0,2,0,0,0,0|2,0,0]=4 1403 B11R1.53 COc1ccccc1C(=O)O A13513 [0,2,0,0,0,0|2,0,0]=4 1404 B11R1.53 COc1ccncc1[N+](=O)[O-] A15110 [0,2,0,0,0,0|2,0,0]=4 1405 B11R1.53 COc1ccncc1[N+](=O)[O-] A18162 [0,2,0,0,0,0|2,0,0]=4 1406 B11R1.53 CSc1c(cccn1)C(=O)Cl A17916 [0,2,0,0,0,0|1,0,0]=3 1407 B11R1.53 CSc1c(cccn1)C(=O)O L09920 [0,2,0,0,0,0|1,0,0]=3 1408 B11R1.53 CSc1ccccc1C(=O)O A10379 [0,2,0,0,0,0|2,0,0]=4 1409 B11R1.53 c1ccc(c(c1)C#N)C(=O)N B21596 [0,2,0,0,0,0|2,0,0]=4 1410 B11R1.53 c1ccc(c(c1)C#N)C(=O)O H50237 [0,2,0,0,0,0|2,0,0]=4 1411 B11R1.53 c1ccc(c(c1)C(=O)O)I=O L15606 [0,2,0,0,0,0|2,0,0]=4 1412 B11R1.53 c1ccc(c(c1)C(=O)O)NN L11015 [0,2,0,0,0,0|2,0,0]=4 1413 B11R1.53 c1ccc(c(c1)C=O)C(=O)O A11201 [0,2,0,0,0,0|2,0,0]=4 1414 B11R1.53 c1ccc(c(c1)CBr)C(=O)O H28927 [0,2,0,0,0,0|2,0,0]=4 1415 B11R1.156 CC(=O)c1c(cccc1Br)F H62361 [0,2,0,0,0,0|1,0,0]=3 1416 B11R1.156 CC(=O)c1c(cccc1Cl)Cl L06348 [0,2,0,0,0,0|1,0,0]=3 1417 B11R1.156 CC(=O)c1c(cccc1Cl)F B24067 [0,2,0,0,0,0|1,0,0]=3 1418 B11R1.156 CC(=O)c1c(cccc1F)F A10220 [0,2,0,0,0,0|1,0,0]=3 1419 B11R1.156 CC(=O)c1c(cccc1F)O H26130 [0,2,0,0,0,0|1,0,0]=3 1420 B11R1.156 CC(=O)c1c(cccc1O)O A14627 [0,2,0,0,0,0|1,0,0]=3 1421 B11R1.156 Cc1cccc(c1C(=O)N)Cl L18853 [0,2,0,0,0,0|2,0,0]=4 1422 B11R1.156 Cc1cccc(c1C(=O)O)Br L20149 [0,2,0,0,0,0|2,0,0]=4 1423 B11R1.156 Cc1cccc(c1C(=O)O)C A15014 [0,2,0,0,0,0|2,0,0]=4 1424 B11R1.156 Cc1cccc(c1C(=O)O)Cl L18348 [0,2,0,0,0,0|2,0,0]=4 1425 B11R1.156 Cc1cccc(c1C(=O)O)N A15187 [0,2,0,0,0,0|2,0,0]=4 1426 B11R1.156 Cc1ccnc(c1[N+](=O)[O-])Cl H26057 [0,2,0,0,0,0|2,0,0]=4 1427 B11R1.156 Cc1ccnc(c1[N+](=O)[O-])F H64837 [0,2,0,0,0,0|2,0,0]=4 1428 B11R1.156 Cc1ccnc(c1[N+](=O)[O-])N L15841 [0,2,0,0,0,0|2,0,0]=4 1429 B11R1.156 Cc1ccnc(c1[N+](=O)[O-])O H61586 [0,2,0,0,0,0|2,0,0]=4 1430 B11R1.156 c1cc(c(c(c1)Br)C(=O)O)Cl H32269 [0,2,0,0,0,0|2,0,0]=4 1431 B11R1.156 c1cc(c(c(c1)Br)C(=O)O)F H61251 [0,2,0,0,0,0|2,0,0]=4 1432 B11R1.156 c1cc(c(c(c1)Br)C(=O)O)N H32106 [0,2,0,0,0,0|2,0,0]=4 1433 B11R1.156 c1cc(c(c(c1)Cl)C(=O)Cl)Cl A14839 [0,2,0,0,0,0|2,0,0]=4 1434 B11R1.156 c1cc(c(c(c1)Cl)C(=O)Cl)F B23762 [0,2,0,0,0,0|2,0,0]=4 1435 B11R1.156 c1cc(c(c(c1)Cl)C(=O)N)Cl A10865 [0,2,0,0,0,0|2,0,0]=4 1436 B11R1.156 c1cc(c(c(c1)Cl)C(=O)N)F B21294 [0,2,0,0,0,0|2,0,0]=4 1437 B11R1.156 c1cc(c(c(c1)Cl)C(=O)O)Cl A10542 [0,2,0,0,0,0|2,0,0]=4 1438 B11R1.156 c1cc(c(c(c1)Cl)C(=O)O)F A11250 [0,2,0,0,0,0|2,0,0]=4 1439 B11R1.156 c1cc(c(c(c1)Cl)C(=O)O)N A10890 [0,2,0,0,0,0|2,0,0]=4 1440 B11R1.156 c1cc(c(c(c1)F)C(=O)Cl)F A11286 [0,2,0,0,0,0|2,0,0]=4 1441 B11R1.156 c1cc(c(c(c1)F)C(=O)N)F A11685 [0,2,0,0,0,0|2,0,0]=4 1442 B11R1.156 c1cc(c(c(c1)F)C(=O)O)F A14558 [0,2,0,0,0,0|2,0,0]=4 1443 B11R1.156 c1cc(c(c(c1)F)C(=O)O)N A10919 [0,2,0,0,0,0|2,0,0]=4 1444 B11R1.156 c1cc(c(c(c1)F)C(=O)O)O L10907 [0,2,0,0,0,0|2,0,0]=4 1445 B11R1.156 c1cc(c(c(c1)I)C(=O)O)F L07924 [0,2,0,0,0,0|2,0,0]=4 1446 B11R1.156 c1cc(c(c(c1)O)C(=O)N)O L08424 [0,2,0,0,0,0|2,0,0]=4 1447 B11R1.156 c1cc(c(c(c1)O)C(=O)O)O A14485 [0,2,0,0,0,0|2,0,0]=4 1448 B11R1.156 c1cnc(c(c1Cl)C(=O)O)Cl H58239 [0,2,0,0,0,0|1,0,0]=3 1449 B11R1.156 c1cnc(c(c1Cl)[N+](=O)[O-])N H64678 [0,2,0,0,0,0|2,0,0]=4 1450 B11R1.156 c1cnc(c(c1I)C(=O)O)Cl H50049 [0,2,0,0,0,0|1,0,0]=3 1451 B11R1.156 c1cnc(c(c1O)[N+](=O)[O-])O L14933 [0,2,0,0,0,0|2,0,0]=4 1452 B11R1.156 c1nc(c(c(n1)Cl)C(=O)O)Cl H63976 [0,2,0,0,0,0|2,0,0]=4 1453 B11R1.159 CC(=O)c1cccc(c1Cl)Cl A12667 [0,2,0,0,0,0|1,0,0]=3 1454 B11R1.159 CC(=O)c1cccc(c1F)Br H62708 [0,2,0,0,0,0|1,0,0]=3 1455 B11R1.159 CC(=O)c1cccc(c1F)Cl H26474 [0,2,0,0,0,0|1,0,0]=3 1456 B11R1.159 CC(=O)c1cccc(c1F)F A16786 [0,2,0,0,0,0|1,0,0]=3 1457 B11R1.159 CC(=O)c1cccc(c1O)F H32854 [0,2,0,0,0,0|1,0,0]=3 1458 B11R1.159 Cc1c(cccc1Br)C(=O)O H55436 [0,2,0,0,0,0|2,0,0]=4 1459 B11R1.159 Cc1c(cccc1Cl)C(=O)O L15773 [0,2,0,0,0,0|2,0,0]=4 1460 B11R1.159 Cc1c(cccc1F)C(=O)C H32221 [0,2,0,0,0,0|1,0,0]=3 1461 B11R1.159 Cc1c(cccc1F)C(=O)O H31887 [0,2,0,0,0,0|2,0,0]=4 1462 B11R1.159 Cc1c(cccc1N)C(=O)O B24947 [0,2,0,0,0,0|2,0,0]=4 1463 B11R1.159 Cc1c(cccc1O)C(=O)O L13743 [0,2,0,0,0,0|2,0,0]=4 1464 B11R1.159 Cc1cccc(c1Br)C(=O)O H32490 [0,2,0,0,0,0|2,0,0]=4 1465 B11R1.159 Cc1cccc(c1C)C(=O)Cl H25873 [0,2,0,0,0,0|2,0,0]=4 1466 B11R1.159 Cc1cccc(c1C)C(=O)N A13585 [0,2,0,0,0,0|2,0,0]=4 1467 B11R1.159 Cc1cccc(c1C)C(=O)O A10383 [0,2,0,0,0,0|2,0,0]=4 1468 B11R1.159 Cc1cccc(c1F)C(=O)O A12280 [0,2,0,0,0,0|2,0,0]=4 1469 B11R1.159 Cc1cccc(c1I)C(=O)O L19876 [0,2,0,0,0,0|2,0,0]=4 1470 B11R1.159 Cc1cccc(c1N)C(=O)O B24230 [0,2,0,0,0,0|2,0,0]=4 1471 B11R1.159 Cc1cccc(c1O)C(=O)O L15825 [0,2,0,0,0,0|2,0,0]=4 1472 B11R1.159 c1cc(c(c(c1)Br)F)C(=O)N H62619 [0,2,0,0,0,0|2,0,0]=4 1473 B11R1.159 c1cc(c(c(c1)Br)F)C(=O)O H50235 [0,2,0,0,0,0|2,0,0]=4 1474 B11R1.159 c1cc(c(c(c1)Br)N)C(=O)O H61925 [0,2,0,0,0,0|2,0,0]=4 1475 B11R1.159 c1cc(c(c(c1)Cl)Cl)C(=O)Cl L09506 [0,2,0,0,0,0|2,0,0]=4 1476 B11R1.159 c1cc(c(c(c1)Cl)Cl)C(=O)N A17265 [0,2,0,0,0,0|2,0,0]=4 1477 B11R1.159 c1cc(c(c(c1)Cl)Cl)C(=O)O A10522 [0,2,0,0,0,0|2,0,0]=4 1478 B11R1.159 c1cc(c(c(c1)Cl)F)C(=O)Cl B23849 [0,2,0,0,0,0|2,0,0]=4 1479 B11R1.159 c1cc(c(c(c1)Cl)F)C(=O)N B24162 [0,2,0,0,0,0|2,0,0]=4 1480 B11R1.159 c1cc(c(c(c1)Cl)F)C(=O)O B20603 [0,2,0,0,0,0|2,0,0]=4 1481 B11R1.159 c1cc(c(c(c1)Cl)N)C(=O)O H66261 [0,2,0,0,0,0|2,0,0]=4 1482 B11R1.159 c1cc(c(c(c1)F)Br)C(=O)O H26242 [0,2,0,0,0,0|2,0,0]=4 1483 B11R1.159 c1cc(c(c(c1)F)Cl)C(=O)O H31761 [0,2,0,0,0,0|2,0,0]=4 1484 B11R1.159 c1cc(c(c(c1)F)F)C(=O)Cl B20333 [0,2,0,0,0,0|2,0,0]=4 1485 B11R1.159 c1cc(c(c(c1)F)F)C(=O)N B20542 [0,2,0,0,0,0|2,0,0]=4 1486 B11R1.159 c1cc(c(c(c1)F)F)C(=O)O A16717 [0,2,0,0,0,0|2,0,0]=4 1487 B11R1.159 c1cc(c(c(c1)F)O)C(=O)O H26163 [0,2,0,0,0,0|2,0,0]=4 1488 B11R1.159 c1cc(c(c(c1)N)O)C(=O)O B22478 [0,2,0,0,0,0|2,0,0]=4 1489 B11R1.159 c1cc(c(c(c1)O)O)C(=O)O A10144 [0,2,0,0,0,0|2,0,0]=4 1490 B11R1.167 CC(=O)c1cc(ccc1Br)F H61261 [0,2,0,0,0,0|1,0,0]=3 1491 B11R1.167 CC(=O)c1cc(ccc1Cl)Cl A13770 [0,2,0,0,0,0|1,0,0]=3 1492 B11R1.167 CC(=O)c1cc(ccc1F)Br H61282 [0,2,0,0,0,0|1,0,0]=3 1493 B11R1.167 CC(=O)c1cc(ccc1F)F A13911 [0,2,0,0,0,0|1,0,0]=3 1494 B11R1.167 CC(=O)c1cc(ccc1I)F H66475 [0,2,0,0,0,0|1,0,0]=3 1495 B11R1.167 CC(=O)c1cc(ccc1O)Br H61979 [0,2,0,0,0,0|1,0,0]=3 1496 B11R1.167 CC(=O)c1cc(ccc1O)Cl A15448 [0,2,0,0,0,0|1,0,0]=3 1497 B11R1.167 CC(=O)c1cc(ccc1O)F A15614 [0,2,0,0,0,0|1,0,0]=3 1498 B11R1.167 CC(=O)c1cc(ccc1O)O A12185 [0,2,0,0,0,0|1,0,0]=3 1499 B11R1.167 Cc1c(cc(cn1)Br)[N+](=O)[O-] H54917 [0,2,0,0,0,0|2,0,0]=4 1500 B11R1.167 Cc1cc(c(nc1)Cl)[N+](=O)[O-] L20031 [0,2,0,0,0,0|2,0,0]=4 1501 B11R1.167 Cc1ccc(c(c1)C(=O)C)C A11432 [0,2,0,0,0,0|1,0,0]=3 1502 B11R1.167 Cc1ccc(c(c1)C(=O)C)F H26575 [0,2,0,0,0,0|1,0,0]=3 1503 B11R1.167 Cc1ccc(c(c1)C(=O)C)O A13136 [0,2,0,0,0,0|1,0,0]=3 1504 B11R1.167 Cc1ccc(c(c1)C(=O)Cl)F H26093 [0,2,0,0,0,0|2,0,0]=4 1505 B11R1.167 Cc1ccc(c(c1)C(=O)O)Br H32927 [0,2,0,0,0,0|2,0,0]=4 1506 B11R1.167 Cc1ccc(c(c1)C(=O)O)C A15352 [0,2,0,0,0,0|2,0,0]=4 1507 B11R1.167 Cc1ccc(c(c1)C(=O)O)Cl B25347 [0,2,0,0,0,0|2,0,0]=4 1508 B11R1.167 Cc1ccc(c(c1)C(=O)O)F H26094 [0,2,0,0,0,0|2,0,0]=4 1509 B11R1.167 Cc1ccc(c(c1)C(=O)O)N L01513 [0,2,0,0,0,0|2,0,0]=4 1510 B11R1.167 Cc1ccc(c(c1)C(=O)O)O B20040 [0,2,0,0,0,0|2,0,0]=4 1511 B11R1.167 Cc1ccc(cc1C(=O)C)F H26819 [0,2,0,0,0,0|1,0,0]=3 1512 B11R1.167 Cc1ccc(cc1C(=O)Cl)F L13750 [0,2,0,0,0,0|2,0,0]=4 1513 B11R1.167 Cc1ccc(cc1C(=O)O)Br H60516 [0,2,0,0,0,0|2,0,0]=4 1514 B11R1.167 Cc1ccc(cc1C(=O)O)Cl H60649 [0,2,0,0,0,0|2,0,0]=4 1515 B11R1.167 Cc1ccc(cc1C(=O)O)F A10476 [0,2,0,0,0,0|2,0,0]=4 1516 B11R1.167 Cc1ccc(cc1C(=O)O)N H60078 [0,2,0,0,0,0|2,0,0]=4 1517 B11R1.167 Cc1ccc(cc1C(=O)O)O H60774 [0,2,0,0,0,0|2,0,0]=4 1518 B11R1.167 c1c(c(nnc1Cl)Cl)C(=O)O L10418 [0,2,0,0,0,0|2,0,0]=4 1519 B11R1.167 c1c(cnc(c1C(=O)O)Cl)Br H61154 [0,2,0,0,0,0|1,0,0]=3 1520 B11R1.167 c1c(cnc(c1C(=O)O)Cl)Cl H64998 [0,2,0,0,0,0|1,0,0]=3 1521 B11R1.167 c1c(cnc(c1C(=O)O)O)Cl B20706 [0,2,0,0,0,0|1,0,0]=3 1522 B11R1.167 c1c(cnc(c1[N+](=O)[O-])Br)Br H61961 [0,2,0,0,0,0|2,0,0]=4 1523 B11R1.167 c1c(cnc(c1[N+](=O)[O-])Br)Cl H64065 [0,2,0,0,0,0|2,0,0]=4 1524 B11R1.167 c1c(cnc(c1[N+](=O)[O-])Br)F H64208 [0,2,0,0,0,0|2,0,0]=4 1525 B11R1.167 c1c(cnc(c1[N+](=O)[O-])Cl)Br H64897 [0,2,0,0,0,0|2,0,0]=4 1526 B11R1.167 c1c(cnc(c1[N+](=O)[O-])Cl)Cl H64276 [0,2,0,0,0,0|2,0,0]=4 1527 B11R1.167 c1c(cnc(c1[N+](=O)[O-])Cl)F H64570 [0,2,0,0,0,0|2,0,0]=4 1528 B11R1.167 c1c(cnc(c1[N+](=O)[O-])F)Cl H61631 [0,2,0,0,0,0|2,0,0]=4 1529 B11R1.167 c1c(cnc(c1[N+](=O)[O-])N)Br A14985 [0,2,0,0,0,0|2,0,0]=4 1530 B11R1.167 c1c(cnc(c1[N+](=O)[O-])N)Cl B22484 [0,2,0,0,0,0|2,0,0]=4 1531 B11R1.167 c1c(cnc(c1[N+](=O)[O-])N)F H61293 [0,2,0,0,0,0|2,0,0]=4 1532 B11R1.167 c1c(cnc(c1[N+](=O)[O-])O)Br L19850 [0,2,0,0,0,0|2,0,0]=4 1533 B11R1.167 c1c(cnc(c1[N+](=O)[O-])O)Cl L19860 [0,2,0,0,0,0|2,0,0]=4 1534 B11R1.167 c1c(cnc(c1[N+](=O)[O-])O)F H64441 [0,2,0,0,0,0|2,0,0]=4 1535 B11R1.167 c1c(nc(c(n1)Br)C(=O)N)Br H63856 [0,2,0,0,0,0|2,0,0]=4 1536 B11R1.167 c1c(nc(c(n1)N)C(=O)N)Br H63202 [0,2,0,0,0,0|2,0,0]=4 1537 B11R1.167 c1c(nc(c(n1)N)C(=O)O)Br H66908 [0,2,0,0,0,0|2,0,0]=4 1538 B11R1.167 c1cc(c(cc1Br)C(=O)N)F H62457 [0,2,0,0,0,0|2,0,0]=4 1539 B11R1.167 c1cc(c(cc1Br)C(=O)O)Br A15077 [0,2,0,0,0,0|2,0,0]=4 1540 B11R1.167 c1cc(c(cc1Br)C(=O)O)Cl A12218 [0,2,0,0,0,0|2,0,0]=4 1541 B11R1.167 c1cc(c(cc1Br)C(=O)O)F H60595 [0,2,0,0,0,0|2,0,0]=4 1542 B11R1.167 c1cc(c(cc1Br)C(=O)O)I H64643 [0,2,0,0,0,0|2,0,0]=4 1543 B11R1.167 c1cc(c(cc1Br)C(=O)O)N A11915 [0,2,0,0,0,0|2,0,0]=4 1544 B11R1.167 c1cc(c(cc1Br)C(=O)O)O B20338 [0,2,0,0,0,0|2,0,0]=4 1545 B11R1.167 c1cc(c(cc1Cl)C(=O)Cl)F B23273 [0,2,0,0,0,0|2,0,0]=4 1546 B11R1.167 c1cc(c(cc1Cl)C(=O)N)Cl B25097 [0,2,0,0,0,0|2,0,0]=4 1547 B11R1.167 c1cc(c(cc1Cl)C(=O)N)F B24623 [0,2,0,0,0,0|2,0,0]=4 1548 B11R1.167 c1cc(c(cc1Cl)C(=O)N)N A11153 [0,2,0,0,0,0|2,0,0]=4 1549 B11R1.167 c1cc(c(cc1Cl)C(=O)N)O L17897 [0,2,0,0,0,0|2,0,0]=4 1550 B11R1.167 c1cc(c(cc1Cl)C(=O)O)Br A10103 [0,2,0,0,0,0|2,0,0]=4 1551 B11R1.167 c1cc(c(cc1Cl)C(=O)O)Cl A16108 [0,2,0,0,0,0|2,0,0]=4 1552 B11R1.167 c1cc(c(cc1Cl)C(=O)O)F B23776 [0,2,0,0,0,0|2,0,0]=4 1553 B11R1.167 c1cc(c(cc1Cl)C(=O)O)N A14329 [0,2,0,0,0,0|2,0,0]=4 1554 B11R1.167 c1cc(c(cc1Cl)C(=O)O)O B23984 [0,2,0,0,0,0|2,0,0]=4 1555 B11R1.167 c1cc(c(cc1F)C(=O)Cl)Cl B24369 [0,2,0,0,0,0|2,0,0]=4 1556 B11R1.167 c1cc(c(cc1F)C(=O)Cl)F A10651 [0,2,0,0,0,0|2,0,0]=4 1557 B11R1.167 c1cc(c(cc1F)C(=O)N)Br H62366 [0,2,0,0,0,0|2,0,0]=4 1558 B11R1.167 c1cc(c(cc1F)C(=O)N)Cl B23093 [0,2,0,0,0,0|2,0,0]=4 1559 B11R1.167 c1cc(c(cc1F)C(=O)N)F B20971 [0,2,0,0,0,0|2,0,0]=4 1560 B11R1.167 c1cc(c(cc1F)C(=O)N)N H66873 [0,2,0,0,0,0|2,0,0]=4 1561 B11R1.167 c1cc(c(cc1F)C(=O)O)Br B25394 [0,2,0,0,0,0|2,0,0]=4 1562 B11R1.167 c1cc(c(cc1F)C(=O)O)Cl H26462 [0,2,0,0,0,0|2,0,0]=4 1563 B11R1.167 c1cc(c(cc1F)C(=O)O)F A10503 [0,2,0,0,0,0|2,0,0]=4 1564 B11R1.167 c1cc(c(cc1F)C(=O)O)I H60937 [0,2,0,0,0,0|2,0,0]=4 1565 B11R1.167 c1cc(c(cc1F)C(=O)O)N B21458 [0,2,0,0,0,0|2,0,0]=4 1566 B11R1.167 c1cc(c(cc1F)C(=O)O)O B21751 [0,2,0,0,0,0|2,0,0]=4 1567 B11R1.167 c1cc(c(cc1I)C(=O)Cl)F H26177 [0,2,0,0,0,0|2,0,0]=4 1568 B11R1.167 c1cc(c(cc1I)C(=O)O)Br L19247 [0,2,0,0,0,0|2,0,0]=4 1569 B11R1.167 c1cc(c(cc1I)C(=O)O)Cl L20161 [0,2,0,0,0,0|2,0,0]=4 1570 B11R1.167 c1cc(c(cc1I)C(=O)O)F H26175 [0,2,0,0,0,0|2,0,0]=4 1571 B11R1.167 c1cc(c(cc1I)C(=O)O)N A19838 [0,2,0,0,0,0|2,0,0]=4 1572 B11R1.167 c1cc(c(cc1I)C(=O)O)O B21291 [0,2,0,0,0,0|2,0,0]=4 1573 B11R1.167 c1cc(c(cc1N)C(=O)O)Br H60382 [0,2,0,0,0,0|2,0,0]=4 1574 B11R1.167 c1cc(c(cc1N)C(=O)O)Cl L14501 [0,2,0,0,0,0|2,0,0]=4 1575 B11R1.167 c1cc(c(cc1N)C(=O)O)F H26162 [0,2,0,0,0,0|2,0,0]=4 1576 B11R1.167 c1cc(c(cc1N)C(=O)O)O B23970 [0,2,0,0,0,0|2,0,0]=4 1577 B11R1.167 c1cc(c(cc1O)C(=O)O)Cl H26112 [0,2,0,0,0,0|2,0,0]=4 1578 B11R1.167 c1cc(c(cc1O)C(=O)O)F H26150 [0,2,0,0,0,0|2,0,0]=4 1579 B11R1.167 c1cc(c(cc1O)C(=O)O)N L08256 [0,2,0,0,0,0|2,0,0]=4 1580 B11R1.167 c1cc(c(cc1O)C(=O)O)O A11459 [0,2,0,0,0,0|2,0,0]=4 1581 B11R1.74 CC(=O)c1cc(cc(c1)Br)F H62977 [0,2,0,0,0,0|1,0,0]=3 1582 B11R1.74 CC(=O)c1cc(cc(c1)Cl)F H26808 [0,2,0,0,0,0|1,0,0]=3 1583 B11R1.74 CC(=O)c1cc(cc(c1)F)F B20301 [0,2,0,0,0,0|1,0,0]=3 1584 B11R1.74 CC(=O)c1cc(cc(c1)O)O B25567 [0,2,0,0,0,0|1,0,0]=3 1585 B11R1.74 Cc1cc(cc(c1)C(=O)C)C L15480 [0,2,0,0,0,0|1,0,0]=3 1586 B11R1.74 Cc1cc(cc(c1)C(=O)Cl)C H51716 [0,2,0,0,0,0|2,0,0]=4 1587 B11R1.74 Cc1cc(cc(c1)C(=O)O)C A11198 [0,2,0,0,0,0|2,0,0]=4 1588 B11R1.74 Cc1cc(cc(c1)F)C(=O)C H26316 [0,2,0,0,0,0|1,0,0]=3 1589 B11R1.74 Cc1cc(cc(c1)F)C(=O)O H26677 [0,2,0,0,0,0|2,0,0]=4 1590 B11R1.74 c1c(cc(cc1Br)Br)C(=O)N B24946 [0,2,0,0,0,0|2,0,0]=4 1591 B11R1.74 c1c(cc(cc1Br)Br)C(=O)O A16654 [0,2,0,0,0,0|2,0,0]=4 1592 B11R1.74 c1c(cc(cc1Br)I)C(=O)O A17076 [0,2,0,0,0,0|2,0,0]=4 1593 B11R1.74 c1c(cc(cc1Cl)Cl)C(=O)Cl B24676 [0,2,0,0,0,0|2,0,0]=4 1594 B11R1.74 c1c(cc(cc1Cl)Cl)C(=O)N B21959 [0,2,0,0,0,0|2,0,0]=4 1595 B11R1.74 c1c(cc(cc1Cl)Cl)C(=O)O A15168 [0,2,0,0,0,0|2,0,0]=4 1596 B11R1.74 c1c(cc(cc1F)Br)C(=O)N H62944 [0,2,0,0,0,0|2,0,0]=4 1597 B11R1.74 c1c(cc(cc1F)Br)C(=O)O H32692 [0,2,0,0,0,0|2,0,0]=4 1598 B11R1.74 c1c(cc(cc1F)Cl)C(=O)O H26567 [0,2,0,0,0,0|2,0,0]=4 1599 B11R1.74 c1c(cc(cc1F)F)C(=O)Cl B21400 [0,2,0,0,0,0|2,0,0]=4 1600 B11R1.74 c1c(cc(cc1F)F)C(=O)N A19904 [0,2,0,0,0,0|2,0,0]=4 1601 B11R1.74 c1c(cc(cc1F)F)C(=O)O A17033 [0,2,0,0,0,0|2,0,0]=4 1602 B11R1.74 c1c(cc(cc1N)F)C(=O)O H63501 [0,2,0,0,0,0|2,0,0]=4 1603 B11R1.74 c1c(cc(cc1N)N)C(=O)O A14075 [0,2,0,0,0,0|2,0,0]=4 1604 B11R1.74 c1c(cc(cc1O)O)C(=O)N L08457 [0,2,0,0,0,0|2,0,0]=4 1605 B11R1.74 c1c(cc(cc1O)O)C(=O)O A11664 [0,2,0,0,0,0|2,0,0]=4 1606 B11R1.266 C=Cc1cccc(c1)C(=O)O H32556 [0,2,0,0,0,0|2,0,0]=4 1607 B11R1.266 CC(=O)c1cccc(c1)C#N A10841 [0,2,0,0,0,0|1,0,0]=3 1608 B11R1.266 CC(=O)c1cccc(c1)OC A15604 [0,2,0,0,0,0|1,0,0]=3 1609 B11R1.266 COc1cccc(c1)C(=O)Cl B23571 [0,2,0,0,0,0|2,0,0]=4 1610 B11R1.266 COc1cccc(c1)C(=O)N B23204 [0,2,0,0,0,0|2,0,0]=4 1611 B11R1.266 COc1cccc(c1)C(=O)O A10767 [0,2,0,0,0,0|2,0,0]=4 1612 B11R1.266 CSc1cccc(c1)C(=O)O H27200 [0,2,0,0,0,0|2,0,0]=4 1613 B11R1.266 c1cc(cc(c1)C(=O)Cl)CCl L15719 [0,2,0,0,0,0|2,0,0]=4 1614 B11R1.266 c1cc(cc(c1)C(=O)O)C#N B23836 [0,2,0,0,0,0|2,0,0]=4 1615 B11R1.266 c1cc(cc(c1)C(=O)O)C=O B21277 [0,2,0,0,0,0|2,0,0]=4 1616 B11R1.266 c1cc(cc(c1)C(=O)O)CCl H60854 [0,2,0,0,0,0|2,0,0]=4 1617 B11R1.266 c1cc(cc(c1)C(=O)O)CN H64546 [0,2,0,0,0,0|2,0,0]=4 1618 B11R1.266 c1cc(cc(c1)NN)C(=O)O B21462 [0,2,0,0,0,0|2,0,0]=4 1619 B9R1.13 CC(=O)Cc1ccco1 B22171 [0,0,1,1,0,0|1,0,1]=4 1620 B9R1.13 CC(=O)Nc1nccs1 B23873 [0,0,1,1,0,0|2,0,0]=4 1621 B11R2.10 CC1=Cc2ccccc2C1 H26875 [0,0,0,1,0,1|2,0,0]=4 1622 B11R2.10 Cc1[nH]c2ccccc2n1 A17290 [0,0,0,1,0,1|2,0,0]=4 1623 B11R2.10 Cc1[nH]c2ccncc2n1 L19131 [0,0,0,1,0,1|1,0,0]=3 1624 B11R2.10 Cc1cc2ccccc2[nH]1 A10764 [0,0,0,1,0,1|2,0,0]=4 1625 B11R2.10 Cc1cc2ccccc2s1 H32224 [0,0,0,1,0,1|1,1,0]=4 1626 B11R2.10 Cc1nc2ccccc2o1 A13198 [0,0,0,1,0,1|1,0,1]=4 1627 B11R2.10 Cc1nc2ccccc2s1 A13427 [0,0,0,1,0,1|1,1,0]=4 1628 B11R2.10 c1cc2c([nH]c(=O)o2)nc1 H66234 [0,0,0,1,0,1|1,0,0]=3 1629 B11R2.10 c1ccc2c(c1)CC(=C2)Br B25474 [0,0,0,1,0,1|2,0,0]=4 1630 B11R2.10 c1ccc2c(c1)CC(=O)C2 A12574 [0,0,0,1,0,1|1,0,0]=3 1631 B11R2.10 c1ccc2c(c1)CC(=O)N2 A18764 [0,0,0,1,0,1|1,0,0]=3 1632 B11R2.10 c1ccc2c(c1)CC(=O)O2 A18617 [0,0,0,1,0,1|1,0,0]=3 1633 B11R2.10 c1ccc2c(c1)[nH]c(=O)o2 A19378 [0,0,0,1,0,1|2,0,0]=4 1634 B11R2.1 Cc1c2cccnc2[nH]n1 H61397 [0,1,0,1,0,0|1,0,0]=3 1635 B11R2.1 Cc1c[nH]c2c1cccc2 L03890 [0,1,0,1,0,0|2,0,0]=4 1636 B11R2.1 Cc1csc2c1cccc2 A15772 [0,1,0,1,0,0|1,1,0]=4 1637 B11R2.1 c1cc2c(c[nH]c2nc1)Br H66137 [0,1,0,1,0,0|1,0,1]=4 1638 B11R2.1 c1cc2c(c[nH]c2nc1)I H59457 [0,1,0,1,0,0|1,0,1]=4 1639 B11R2.1 c1ccc2c(c1)C(=O)CO2 A10202 [0,1,0,1,0,0|1,0,0]=3 1640 B11R2.1 c1ccc2c(c1)C(=O)N=N2 L05860 [0,1,0,1,0,0|2,0,0]=4 1641 B11R2.1 c1ccc2c(c1)CCC2=O A11056 [0,1,0,1,0,0|1,0,0]=3 1642 B11R2.1 c1ccc2c(c1)COC2=O A15516 [0,1,0,1,0,0|1,0,0]=3 1643 B11R2.1 c1ccc2c(c1)c(=O)[nH]o2 H50899 [0,1,0,1,0,0|2,0,0]=4 1644 B11R2.1 c1ccc2c(c1)c(=O)[nH]s2 H60492 [0,1,0,1,0,0|2,0,0]=4 1645 B7R1.1 C1C=CC=C1C=O 39254 [1,0,0,0,1,0|0,0,1]=3 1646 B7R1.1 C1C=CC=C1C=O 44292 [1,0,0,0,1,0|0,0,1]=3 1647 B7R1.1 C=CC1=CC=CC1 17450 [1,0,0,0,1,0|0,0,2]=4 1648 B7R1.1 C=Cn1ccnc1 L16174 [1,0,0,0,1,0|1,0,1]=4 1649 B7R1.1 CCC1=CC=CC1 39253 [1,0,0,0,1,0|0,0,2]=4 1650 B7R1.1 CCC1=CC=CC1 H27592 [1,0,0,0,1,0|0,0,2]=4 1651 B7R1.1 CCC1=CC=CC1 H27618 [1,0,0,0,1,0|0,0,2]=4 1652 B7R1.1 CCC1=CC=CC1 H27769 [1,0,0,0,1,0|0,0,2]=4 1653 B7R1.1 CCc1[nH]ccn1 B24090 [1,0,0,0,1,0|1,0,1]=4 1654 B7R1.1 CCc1ccco1 A15520 [1,0,0,0,1,0|1,0,1]=4 1655 B7R1.1 CCc1cccs1 A13372 [1,0,0,0,1,0|1,0,1]=4 1656 B7R1.1 COc1ccco1 A15593 [1,0,0,0,1,0|2,0,0]=4 1657 B7R1.1 COc1cccs1 A10455 [1,0,0,0,1,0|2,0,0]=4 1658 B7R1.1 COc1ccsc1 B21940 [1,0,0,0,1,0|2,0,0]=4 1659 B7R1.1 COc1nccs1 B25655 [1,0,0,0,1,0|2,0,0]=4 1660 B7R1.1 CSc1c[nH]cn1 H63990 [1,0,0,0,1,0|2,0,0]=4 1661 B7R1.1 CSc1cccs1 A11763 [1,0,0,0,1,0|2,0,0]=4 1662 B7R1.1 CSc1nccs1 B25137 [1,0,0,0,1,0|2,0,0]=4 1663 B7R1.1 C[Mn]C1=CC=CC1 47125 [1,0,0,0,1,0|1,0,1]=4 1664 B7R1.1 c1c(nc[nH]1)C=O B25050 [1,0,0,0,1,0|1,0,0]=3 1665 B7R1.1 c1c(ncs1)C=O H64028 [1,0,0,0,1,0|1,0,0]=3 1666 B7R1.1 c1c(nns1)C=O L20211 [1,0,0,0,1,0|2,0,0]=4 1667 B7R1.1 c1c(scn1)C=O H60138 [1,0,0,0,1,0|1,0,0]=3 1668 B7R1.1 c1c[nH]cc1C=O H35559 [1,0,0,0,1,0|0,0,1]=3 1669 B7R1.1 c1cc([nH]c1)C=O A12838 [1,0,0,0,1,0|0,0,1]=3 1670 B7R1.1 c1cc(oc1)C=O 31305 [1,0,0,0,1,0|1,0,0]=3 1671 B7R1.1 c1cc(oc1)C=O A16167 [1,0,0,0,1,0|1,0,0]=3 1672 B7R1.1 c1cc(sc1)C=O A14344 [1,0,0,0,1,0|1,0,0]=3 1673 B7R1.1 c1cnc([nH]1)C=O L13883 [1,0,0,0,1,0|1,0,0]=3 1674 B7R1.1 c1cocc1C=O A11334 [1,0,0,0,1,0|1,0,0]=3 1675 B7R1.1 c1csc(n1)C=O H63329 [1,0,0,0,1,0|1,0,0]=3 1676 B7R1.1 c1cscc1C=O A14628 [1,0,0,0,1,0|1,0,0]=3 1677 B11R1.91 CC(=C)COc1ccccc1 B22369 [0,0,0,0,0,2|2,0,0]=4 1678 B11R1.91 CC(=N)SCc1ccccc1 H51844 [0,0,0,0,0,2|2,0,0]=4 1679 B11R1.91 CC(=O)C#Cc1ccccc1 H27826 [0,0,0,0,0,2|1,0,0]=3 1680 B11R1.91 CC(=O)CCc1ccccc1 B22777 [0,0,0,0,0,2|1,0,0]=3 1681 B11R1.91 CC(=O)NCc1cccnc1 B21862 [0,0,0,0,0,2|0,0,0]=2 1682 B11R1.91 CC(=O)NNc1ccccc1 A14446 [0,0,0,0,0,2|1,0,0]=3 1683 B11R1.91 CC(=O)OCc1ccccc1 B23472 [0,0,0,0,0,2|1,0,0]=3 1684 B11R1.91 CC(=O)\C=C\c1ccccc1 A13537 [0,0,0,0,0,2|1,0,0]=3 1685 B11R1.91 c1cc(cnc1)CCC(=O)O H58619 [0,0,0,0,0,2|1,0,0]=3 1686 B11R1.91 c1cc(cnc1)CCC(=O)O L14007 [0,0,0,0,0,2|1,0,0]=3 1687 B11R1.91 c1cc(cnc1)OCC(=O)O B24780 [0,0,0,0,0,2|1,0,0]=3 1688 B11R1.91 c1cc(cnc1)\C=C\C(=O)O A14747 [0,0,0,0,0,2|1,0,0]=3 1689 B11R1.91 c1ccc(cc1)C#CC(=O)O A15163 [0,0,0,0,0,2|2,0,0]=4 1690 B11R1.91 c1ccc(cc1)CCC(=O)Cl A10860 [0,0,0,0,0,2|2,0,0]=4 1691 B11R1.91 c1ccc(cc1)CCC(=O)O A14908 [0,0,0,0,0,2|2,0,0]=4 1692 B11R1.91 c1ccc(cc1)CNC(=O)N B24945 [0,0,0,0,0,2|2,0,0]=4 1693 B11R1.91 c1ccc(cc1)COC(=O)Cl A15682 [0,0,0,0,0,2|2,0,0]=4 1694 B11R1.91 c1ccc(cc1)COC(=O)N A11569 [0,0,0,0,0,2|2,0,0]=4 1695 B11R1.91 c1ccc(cc1)NCC(=O)O A14182 [0,0,0,0,0,2|2,0,0]=4 1696 B11R1.91 c1ccc(cc1)NNC(=O)N B22331 [0,0,0,0,0,2|2,0,0]=4 1697 B11R1.91 c1ccc(cc1)OCC(=O)Cl A13761 [0,0,0,0,0,2|2,0,0]=4 1698 B11R1.91 c1ccc(cc1)OCC(=O)N A14934 [0,0,0,0,0,2|2,0,0]=4 1699 B11R1.91 c1ccc(cc1)OCC(=O)O A12541 [0,0,0,0,0,2|2,0,0]=4 1700 B11R1.91 c1ccc(cc1)SCC(=O)O B22280 [0,0,0,0,0,2|2,0,0]=4 1701 B11R1.91 c1ccc(cc1)\C=C\C(=O)Cl A12016 [0,0,0,0,0,2|2,0,0]=4 1702 B11R1.91 c1ccc(cc1)\C=C\C(=O)N A13429 [0,0,0,0,0,2|2,0,0]=4 1703 B11R1.91 c1ccc(cc1)\C=C\C(=O)O A13538 [0,0,0,0,0,2|2,0,0]=4