0 B9R1.6 B(c1ccccc1)(Cl)Cl TS42008 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.6 B(c1ccccc1)(O)O TS59339 [0,0,0,0,0,0|1,0,1]=2 2 B9R1.6 B(c1cccnc1)(O)O TS02468 [0,0,0,0,0,0|2,0,1]=3 3 B9R1.6 B(c1cccnc1)(O)O TS11179 [0,0,0,0,0,0|2,0,1]=3 4 B9R1.6 B(c1ccncc1)(O)O TS39931 [0,0,0,0,0,0|2,0,1]=3 5 B9R1.6 B(c1ccncc1)(O)O TS90264 [0,0,0,0,0,0|2,0,1]=3 6 B9R1.6 B(c1ccncc1)(O)O TS93424 [0,0,0,0,0,0|2,0,1]=3 7 B9R1.6 B(c1cncnc1)(O)O TS85496 [0,0,0,0,0,0|3,0,1]=4 8 B9R1.6 C1C=CCN[C@@H]1C(=O)O TS36225 [0,0,0,0,0,0|1,0,3]=4 9 B9R1.6 C1CC(CC=C1)C(=O)O TS02731 [0,0,0,0,0,0|0,0,4]=4 10 B9R1.6 C1CC(OC=C1)C(=O)O TS36279 [0,0,0,0,0,0|1,0,3]=4 11 B9R1.6 C1CCC(=CC1)C(=O)O TS05156 [0,0,0,0,0,0|0,0,4]=4 12 B9R1.6 C1C[C@@H](CC=C1)C(=O)O TS36128 [0,0,0,0,0,0|0,0,4]=4 13 B9R1.6 C1C[C@H](CC=C1)C(=O)O TS90359 [0,0,0,0,0,0|0,0,4]=4 14 B9R1.6 C=C(c1ccccc1)Br TS48375 [0,0,0,0,0,0|2,0,0]=2 15 B9R1.6 C=C(c1ccccc1)[Zn+] TS08929 [0,0,0,0,0,0|2,0,0]=2 16 B9R1.6 CC(=C)c1ccccc1 TS32349 [0,0,0,0,0,0|2,0,0]=2 17 B9R1.6 CC(=O)c1ccccc1 TS32455 [0,0,0,0,0,0|1,0,0]=1 18 B9R1.6 CC(=O)c1ccccc1 TS32456 [0,0,0,0,0,0|1,0,0]=1 19 B9R1.6 CC(=O)c1ccccc1 TS38236 [0,0,0,0,0,0|1,0,0]=1 20 B9R1.6 CC(=O)c1ccccc1 TS55713 [0,0,0,0,0,0|1,0,0]=1 21 B9R1.6 CC(=O)c1ccccn1 TS04861 [0,0,0,0,0,0|2,0,0]=2 22 B9R1.6 CC(=O)c1cccnc1 TS65831 [0,0,0,0,0,0|2,0,0]=2 23 B9R1.6 CC(=O)c1cccnn1 TS87133 [0,0,0,0,0,0|3,0,0]=3 24 B9R1.6 CC(=O)c1ccncc1 TS02952 [0,0,0,0,0,0|2,0,0]=2 25 B9R1.6 CC(=O)c1ccncn1 TS87400 [0,0,0,0,0,0|3,0,0]=3 26 B9R1.6 CC(=O)c1ccnnc1 TS89714 [0,0,0,0,0,0|3,0,0]=3 27 B9R1.6 CC(=O)c1cnccn1 TS55718 [0,0,0,0,0,0|3,0,0]=3 28 B9R1.6 CC(=O)c1cncnc1 TS46735 [0,0,0,0,0,0|3,0,0]=3 29 B9R1.6 CC(=O)c1ncccn1 TS91588 [0,0,0,0,0,0|3,0,0]=3 30 B9R1.6 CC(C)c1ccccn1 TS32479 [0,0,0,0,0,0|3,0,1]=4 31 B9R1.6 CC(C)c1ccccn1 TS49188 [0,0,0,0,0,0|3,0,1]=4 32 B9R1.6 CC(C)c1ccncc1 TS09132 [0,0,0,0,0,0|3,0,1]=4 33 B9R1.6 CC(c1ccccc1)Cl TS37453 [0,0,0,0,0,0|2,0,1]=3 34 B9R1.6 CC(c1ccccc1)N TS55879 [0,0,0,0,0,0|2,0,1]=3 35 B9R1.6 CC(c1ccccc1)O TS04908 [0,0,0,0,0,0|1,0,1]=2 36 B9R1.6 CC(c1ccccn1)N TS47025 [0,0,0,0,0,0|3,0,1]=4 37 B9R1.6 CC(c1ccccn1)N TS59503 [0,0,0,0,0,0|3,0,1]=4 38 B9R1.6 CC(c1ccccn1)O TS08930 [0,0,0,0,0,0|2,0,1]=3 39 B9R1.6 CC(c1cccnc1)N TS59573 [0,0,0,0,0,0|3,0,1]=4 40 B9R1.6 CC(c1ccncc1)N TS51965 [0,0,0,0,0,0|3,0,1]=4 41 B9R1.6 CC(c1ccncc1)N TS59574 [0,0,0,0,0,0|3,0,1]=4 42 B9R1.6 CN(C)c1cc[nH+]cc1 TS29274 [0,0,0,0,0,0|4,0,0]=4 43 B9R1.6 CN(C)c1ccccc1 TS56353 [0,0,0,0,0,0|3,0,0]=3 44 B9R1.6 CN(C)c1ccccn1 TS04916 [0,0,0,0,0,0|4,0,0]=4 45 B9R1.6 CN(C)c1cccnc1 TS32521 [0,0,0,0,0,0|4,0,0]=4 46 B9R1.6 CN(C)c1ccncc1 TS71094 [0,0,0,0,0,0|4,0,0]=4 47 B9R1.6 CN(C)c1ccncc1 TS79663 [0,0,0,0,0,0|4,0,0]=4 48 B9R1.6 CN(C)c1ccncc1 TS93097 [0,0,0,0,0,0|4,0,0]=4 49 B9R1.6 CN(c1ccccc1)N TS46980 [0,0,0,0,0,0|3,0,0]=3 50 B9R1.6 CP(C)c1ccccc1 TS37178 [0,0,0,0,0,0|3,0,0]=3 51 B9R1.6 CP(C)c1ccccc1 TS75399 [0,0,0,0,0,0|3,0,0]=3 52 B9R1.6 C[C@@H](c1ccccc1)N TS93610 [0,0,0,0,0,0|2,0,1]=3 53 B9R1.6 C[C@@H](c1ccccc1)O TS04904 [0,0,0,0,0,0|1,0,1]=2 54 B9R1.6 C[C@@H](c1ccccn1)O TS04971 [0,0,0,0,0,0|2,0,1]=3 55 B9R1.6 C[C@@H](c1cccnc1)O TS04970 [0,0,0,0,0,0|2,0,1]=3 56 B9R1.6 C[C@@H](c1ccncc1)O TS32559 [0,0,0,0,0,0|2,0,1]=3 57 B9R1.6 C[C@H](c1ccccc1)N TS00310 [0,0,0,0,0,0|2,0,1]=3 58 B9R1.6 C[C@H](c1ccccc1)N TS29339 [0,0,0,0,0,0|2,0,1]=3 59 B9R1.6 C[C@H](c1ccccc1)O TS04906 [0,0,0,0,0,0|1,0,1]=2 60 B9R1.6 C[C@H](c1ccccn1)O TS04976 [0,0,0,0,0,0|2,0,1]=3 61 B9R1.6 C[C@H](c1cccnc1)O TS04956 [0,0,0,0,0,0|2,0,1]=3 62 B9R1.6 C[C@H](c1ccncc1)O TS39982 [0,0,0,0,0,0|2,0,1]=3 63 B9R1.6 C[SiH](C)c1ccccc1 TS37063 [0,0,0,0,0,0|2,1,0]=3 64 B9R1.6 c1c(cncn1)C(=N)N TS60163 [0,0,0,0,0,0|4,0,0]=4 65 B9R1.6 c1c(cncn1)C(=O)O TS11330 [0,0,0,0,0,0|2,0,0]=2 66 B9R1.6 c1c(cncn1)C(=O)O TS88781 [0,0,0,0,0,0|2,0,0]=2 67 B9R1.6 c1c(cncn1)C(=O)[O-] TS40359 [0,0,0,0,0,0|2,0,1]=3 68 B9R1.6 c1c(cncn1)C(=S)N TS37304 [0,0,0,0,0,0|3,1,0]=4 69 B9R1.6 c1c[nH+]ccc1C(=N)N TS02953 [0,0,0,0,0,0|3,0,0]=3 70 B9R1.6 c1cc(cnc1)C(=O)Cl TS01937 [0,0,0,0,0,0|2,0,0]=2 71 B9R1.6 c1cc(cnc1)C(=O)Cl TS56401 [0,0,0,0,0,0|2,0,0]=2 72 B9R1.6 c1cc(cnc1)C(=O)N TS32591 [0,0,0,0,0,0|2,0,0]=2 73 B9R1.6 c1cc(cnc1)C(=O)N TS62787 [0,0,0,0,0,0|2,0,0]=2 74 B9R1.6 c1cc(cnc1)C(=O)N TS65239 [0,0,0,0,0,0|2,0,0]=2 75 B9R1.6 c1cc(cnc1)C(=O)O TS36046 [0,0,0,0,0,0|1,0,0]=1 76 B9R1.6 c1cc(cnc1)C(=O)[O-] TS07068 [0,0,0,0,0,0|1,0,1]=2 77 B9R1.6 c1cc(cnc1)C(=O)[O-] TS73812 [0,0,0,0,0,0|1,0,1]=2 78 B9R1.6 c1cc(cnc1)C(=O)[O-] TS81627 [0,0,0,0,0,0|1,0,1]=2 79 B9R1.6 c1cc(cnc1)C(=S)N TS00280 [0,0,0,0,0,0|2,1,0]=3 80 B9R1.6 c1cc(cnc1)C(=S)O TS37303 [0,0,0,0,0,0|1,1,0]=2 81 B9R1.6 c1cc(cnc1)[N+](=O)[O-] TS05007 [0,0,0,0,0,0|2,0,1]=3 82 B9R1.6 c1cc(nnc1)C(=O)O TS59367 [0,0,0,0,0,0|2,0,0]=2 83 B9R1.6 c1ccc(cc1)C(=N)N TS04816 [0,0,0,0,0,0|2,0,0]=2 84 B9R1.6 c1ccc(cc1)C(=N)N TS13608 [0,0,0,0,0,0|2,0,0]=2 85 B9R1.6 c1ccc(cc1)C(=N)N TS55741 [0,0,0,0,0,0|2,0,0]=2 86 B9R1.6 c1ccc(cc1)C(=O)Br TS15413 [0,0,0,0,0,0|1,0,0]=1 87 B9R1.6 c1ccc(cc1)C(=O)Cl TS37445 [0,0,0,0,0,0|1,0,0]=1 88 B9R1.6 c1ccc(cc1)C(=O)F TS32590 [0,0,0,0,0,0|1,0,0]=1 89 B9R1.6 c1ccc(cc1)C(=O)N TS04862 [0,0,0,0,0,0|1,0,0]=1 90 B9R1.6 c1ccc(cc1)C(=O)O TS20747 [0,0,0,0,0,0|0,0,0]=0 91 B9R1.6 c1ccc(cc1)C(=O)O TS21872 [0,0,0,0,0,0|0,0,0]=0 92 B9R1.6 c1ccc(cc1)C(=O)O TS32552 [0,0,0,0,0,0|0,0,0]=0 93 B9R1.6 c1ccc(cc1)C(=O)O TS46282 [0,0,0,0,0,0|0,0,0]=0 94 B9R1.6 c1ccc(cc1)C(=O)O TS93416 [0,0,0,0,0,0|0,0,0]=0 95 B9R1.6 c1ccc(cc1)C(=O)[O-] TS05306 [0,0,0,0,0,0|0,0,1]=1 96 B9R1.6 c1ccc(cc1)C(=O)[O-] TS06916 [0,0,0,0,0,0|0,0,1]=1 97 B9R1.6 c1ccc(cc1)C(=O)[O-] TS30348 [0,0,0,0,0,0|0,0,1]=1 98 B9R1.6 c1ccc(cc1)C(=O)[O-] TS42179 [0,0,0,0,0,0|0,0,1]=1 99 B9R1.6 c1ccc(cc1)C(=O)[O-] TS52761 [0,0,0,0,0,0|0,0,1]=1 100 B9R1.6 c1ccc(cc1)C(=S)N TS01727 [0,0,0,0,0,0|1,1,0]=2 101 B9R1.6 c1ccc(cc1)C(=S)O TS06290 [0,0,0,0,0,0|0,1,0]=1 102 B9R1.6 c1ccc(cc1)C(Br)Br TS27976 [0,0,0,0,0,0|2,0,1]=3 103 B9R1.6 c1ccc(cc1)C(F)Cl TS40273 [0,0,0,0,0,0|2,0,1]=3 104 B9R1.6 c1ccc(cc1)I(=O)=O TS25817 [0,0,0,0,0,0|1,0,1]=2 105 B9R1.6 c1ccc(cc1)I(Cl)Cl TS07874 [0,0,0,0,0,0|3,0,0]=3 106 B9R1.6 c1ccc(cc1)P(=O)O TS59341 [0,0,0,0,0,0|1,0,0]=1 107 B9R1.6 c1ccc(cc1)P(=O)[O-] TS42670 [0,0,0,0,0,0|1,0,1]=2 108 B9R1.6 c1ccc(cc1)P(Cl)Cl TS14332 [0,0,0,0,0,0|3,0,0]=3 109 B9R1.6 c1ccc(cc1)S(=O)[O-] TS11824 [0,0,0,0,0,0|1,0,1]=2 110 B9R1.6 c1ccc(cc1)S(=O)[O-] TS37866 [0,0,0,0,0,0|1,0,1]=2 111 B9R1.6 c1ccc(cc1)S(=O)[O-] TS78880 [0,0,0,0,0,0|1,0,1]=2 112 B9R1.6 c1ccc(cc1)[N+](=O)[O-] TS32550 [0,0,0,0,0,0|1,0,1]=2 113 B9R1.6 c1ccc(cc1)[SiH](Cl)Cl TS46224 [0,0,0,0,0,0|2,1,0]=3 114 B9R1.6 c1ccnc(c1)C(=N)N TS10924 [0,0,0,0,0,0|3,0,0]=3 115 B9R1.6 c1ccnc(c1)C(=O)Cl TS46362 [0,0,0,0,0,0|2,0,0]=2 116 B9R1.6 c1ccnc(c1)C(=O)N TS32493 [0,0,0,0,0,0|2,0,0]=2 117 B9R1.6 c1ccnc(c1)C(=O)O TS02470 [0,0,0,0,0,0|1,0,0]=1 118 B9R1.6 c1ccnc(c1)C(=O)[O-] TS07067 [0,0,0,0,0,0|1,0,1]=2 119 B9R1.6 c1ccnc(c1)C(=O)[O-] TS58877 [0,0,0,0,0,0|1,0,1]=2 120 B9R1.6 c1ccnc(c1)C(=O)[O-] TS76363 [0,0,0,0,0,0|1,0,1]=2 121 B9R1.6 c1ccnc(c1)C(=O)[O-] TS81628 [0,0,0,0,0,0|1,0,1]=2 122 B9R1.6 c1ccnc(c1)C(=O)[O-] TS93320 [0,0,0,0,0,0|1,0,1]=2 123 B9R1.6 c1ccnc(c1)C(=S)N TS06297 [0,0,0,0,0,0|2,1,0]=3 124 B9R1.6 c1cnc(cn1)C(=N)N TS32502 [0,0,0,0,0,0|4,0,0]=4 125 B9R1.6 c1cnc(cn1)C(=N)N TS59360 [0,0,0,0,0,0|4,0,0]=4 126 B9R1.6 c1cnc(cn1)C(=O)Cl TS37679 [0,0,0,0,0,0|3,0,0]=3 127 B9R1.6 c1cnc(cn1)C(=O)O TS59361 [0,0,0,0,0,0|2,0,0]=2 128 B9R1.6 c1cnc(cn1)C(=S)N TS37306 [0,0,0,0,0,0|3,1,0]=4 129 B9R1.6 c1cnc(nc1)C(=N)N TS08803 [0,0,0,0,0,0|4,0,0]=4 130 B9R1.6 c1cnc(nc1)C(=O)O TS87638 [0,0,0,0,0,0|2,0,0]=2 131 B9R1.6 c1cnccc1C(=N)N TS01862 [0,0,0,0,0,0|3,0,0]=3 132 B9R1.6 c1cnccc1C(=O)Cl TS46358 [0,0,0,0,0,0|2,0,0]=2 133 B9R1.6 c1cnccc1C(=O)N TS74511 [0,0,0,0,0,0|2,0,0]=2 134 B9R1.6 c1cnccc1C(=O)O TS01508 [0,0,0,0,0,0|1,0,0]=1 135 B9R1.6 c1cnccc1C(=O)[O-] TS07066 [0,0,0,0,0,0|1,0,1]=2 136 B9R1.6 c1cnccc1C(=S)N TS06294 [0,0,0,0,0,0|2,1,0]=3 137 B9R1.6 c1cnccc1[N+](=O)[O-] TS05008 [0,0,0,0,0,0|2,0,1]=3 138 B9R1.6 c1cncnc1C(=O)O TS90236 [0,0,0,0,0,0|2,0,0]=2 139 B9R1.6 c1cnnc(n1)C(=O)O TS36044 [0,0,0,0,0,0|3,0,0]=3 140 B9R1.6 c1cnncc1C(=O)O TS59368 [0,0,0,0,0,0|2,0,0]=2 141 B8R1.2 C#Cc1ccccc1 TS39865 [1,0,0,0,0,0|1,0,1]=3 142 B8R1.2 C#Cc1ccccn1 TS55319 [1,0,0,0,0,0|2,0,1]=4 143 B8R1.2 C#Cc1cccnc1 TS16364 [1,0,0,0,0,0|2,0,1]=4 144 B8R1.2 C#Cc1ccncc1 TS71113 [1,0,0,0,0,0|2,0,1]=4 145 B8R1.2 C#Cc1ccncc1 TS90305 [1,0,0,0,0,0|2,0,1]=4 146 B8R1.2 C=Cc1ccccc1 TS04045 [1,0,0,0,0,0|1,0,0]=2 147 B8R1.2 C=Cc1ccccn1 TS31704 [1,0,0,0,0,0|2,0,0]=3 148 B8R1.2 C=Cc1cccnc1 TS31705 [1,0,0,0,0,0|2,0,0]=3 149 B8R1.2 C=Cc1ccncc1 TS33177 [1,0,0,0,0,0|2,0,0]=3 150 B8R1.2 C=Cc1cnccn1 TS04089 [1,0,0,0,0,0|3,0,0]=4 151 B8R1.2 CC[n+]1ccccc1 TS40125 [1,0,0,0,0,0|2,0,1]=4 152 B8R1.2 CC[n+]1ccccc1 TS50650 [1,0,0,0,0,0|2,0,1]=4 153 B8R1.2 CCc1ccccc1 TS04102 [1,0,0,0,0,0|1,0,1]=3 154 B8R1.2 CCc1ccccn1 TS55316 [1,0,0,0,0,0|2,0,1]=4 155 B8R1.2 CCc1cccnc1 TS04113 [1,0,0,0,0,0|2,0,1]=4 156 B8R1.2 CCc1ccncc1 TS04110 [1,0,0,0,0,0|2,0,1]=4 157 B8R1.2 CNc1ccccc1 TS31758 [1,0,0,0,0,0|2,0,0]=3 158 B8R1.2 CNc1ccccc1 TS40129 [1,0,0,0,0,0|2,0,0]=3 159 B8R1.2 CNc1ccccn1 TS22814 [1,0,0,0,0,0|3,0,0]=4 160 B8R1.2 CNc1cccnc1 TS09432 [1,0,0,0,0,0|3,0,0]=4 161 B8R1.2 CNc1ccncc1 TS16891 [1,0,0,0,0,0|3,0,0]=4 162 B8R1.2 COc1ccccc1 TS39801 [1,0,0,0,0,0|2,0,0]=3 163 B8R1.2 COc1ccncc1 TS03163 [1,0,0,0,0,0|3,0,0]=4 164 B8R1.2 CPc1ccccc1 TS32592 [1,0,0,0,0,0|2,0,0]=3 165 B8R1.2 CSc1ccccc1 TS36022 [1,0,0,0,0,0|2,0,0]=3 166 B8R1.2 CSc1ccccn1 TS05101 [1,0,0,0,0,0|3,0,0]=4 167 B8R1.2 CSc1cccnc1 TS05108 [1,0,0,0,0,0|3,0,0]=4 168 B8R1.2 C[NH2+]c1ccccc1 TS49917 [1,0,0,0,0,0|2,0,0]=3 169 B8R1.2 C[SiH2]c1ccccc1 TS04929 [1,0,0,0,0,0|1,1,0]=3 170 B8R1.2 [C-]#[N+]c1ccccc1 TS59810 [1,0,0,0,0,0|2,0,0]=3 171 B8R1.2 c1c(cncn1)C=O TS01668 [1,0,0,0,0,0|2,0,0]=3 172 B8R1.2 c1c(cncn1)CO TS55504 [1,0,0,0,0,0|2,0,1]=4 173 B8R1.2 c1cc(cnc1)C#N TS02037 [1,0,0,0,0,0|2,0,1]=4 174 B8R1.2 c1cc(cnc1)CBr TS09437 [1,0,0,0,0,0|2,0,1]=4 175 B8R1.2 c1cc(cnc1)CCl TS00113 [1,0,0,0,0,0|2,0,1]=4 176 B8R1.2 c1cc(cnc1)CCl TS02031 [1,0,0,0,0,0|2,0,1]=4 177 B8R1.2 c1cc(cnc1)CI TS49544 [1,0,0,0,0,0|2,0,1]=4 178 B8R1.2 c1cc(cnc1)CI TS64566 [1,0,0,0,0,0|2,0,1]=4 179 B8R1.2 c1cc(cnc1)CN TS02883 [1,0,0,0,0,0|2,0,1]=4 180 B8R1.2 c1cc(cnc1)CO TS92960 [1,0,0,0,0,0|1,0,1]=3 181 B8R1.2 c1cc(cnc1)CO TS93835 [1,0,0,0,0,0|1,0,1]=3 182 B8R1.2 c1cc(cnc1)NN TS87727 [1,0,0,0,0,0|3,0,0]=4 183 B8R1.2 c1cc(nnc1)C=O TS59366 [1,0,0,0,0,0|2,0,0]=3 184 B8R1.2 c1cc(nnc1)CO TS59365 [1,0,0,0,0,0|2,0,1]=4 185 B8R1.2 c1ccc(cc1)C#N TS01882 [1,0,0,0,0,0|1,0,1]=3 186 B8R1.2 c1ccc(cc1)C#N TS80489 [1,0,0,0,0,0|1,0,1]=3 187 B8R1.2 c1ccc(cc1)C=O TS43757 [1,0,0,0,0,0|0,0,0]=1 188 B8R1.2 c1ccc(cc1)CCl TS36191 [1,0,0,0,0,0|1,0,1]=3 189 B8R1.2 c1ccc(cc1)CF TS31826 [1,0,0,0,0,0|1,0,1]=3 190 B8R1.2 c1ccc(cc1)CI TS09176 [1,0,0,0,0,0|1,0,1]=3 191 B8R1.2 c1ccc(cc1)CN TS01379 [1,0,0,0,0,0|1,0,1]=3 192 B8R1.2 c1ccc(cc1)CN TS40124 [1,0,0,0,0,0|1,0,1]=3 193 B8R1.2 c1ccc(cc1)CO TS31769 [1,0,0,0,0,0|0,0,1]=2 194 B8R1.2 c1ccc(cc1)CS TS36023 [1,0,0,0,0,0|0,1,1]=3 195 B8R1.2 c1ccc(cc1)I=O TS49692 [1,0,0,0,0,0|1,0,0]=2 196 B8R1.2 c1ccc(cc1)N=O TS31751 [1,0,0,0,0,0|1,0,0]=2 197 B8R1.2 c1ccc(cc1)NN TS07047 [1,0,0,0,0,0|2,0,0]=3 198 B8R1.2 c1ccc(cc1)NN TS31771 [1,0,0,0,0,0|2,0,0]=3 199 B8R1.2 c1ccc(cc1)NN TS61145 [1,0,0,0,0,0|2,0,0]=3 200 B8R1.2 c1ccc(cc1)NN TS76102 [1,0,0,0,0,0|2,0,0]=3 201 B8R1.2 c1ccc(cc1)NO TS31793 [1,0,0,0,0,0|1,0,0]=2 202 B8R1.2 c1ccc(cc1)NO TS37696 [1,0,0,0,0,0|1,0,0]=2 203 B8R1.2 c1ccc(cc1)ON TS07146 [1,0,0,0,0,0|2,0,0]=3 204 B8R1.2 c1ccc(cc1)[Hg]Cl TS76590 [1,0,0,0,0,0|2,0,0]=3 205 B8R1.2 c1ccc(cc1)[Hg]I TS69412 [1,0,0,0,0,0|2,0,0]=3 206 B8R1.2 c1ccc(cc1)[Mg]Br TS59811 [1,0,0,0,0,0|2,0,0]=3 207 B8R1.2 c1ccc(cc1)[Mg]Cl TS06150 [1,0,0,0,0,0|2,0,0]=3 208 B8R1.2 c1ccc(cc1)[Mg]I TS52700 [1,0,0,0,0,0|2,0,0]=3 209 B8R1.2 c1ccc(cc1)[N+]#N TS27981 [1,0,0,0,0,0|2,0,0]=3 210 B8R1.2 c1ccnc(c1)C#N TS59347 [1,0,0,0,0,0|2,0,1]=4 211 B8R1.2 c1ccnc(c1)C=O TS02469 [1,0,0,0,0,0|1,0,0]=2 212 B8R1.2 c1ccnc(c1)CBr TS47083 [1,0,0,0,0,0|2,0,1]=4 213 B8R1.2 c1ccnc(c1)CCl TS47089 [1,0,0,0,0,0|2,0,1]=4 214 B8R1.2 c1ccnc(c1)CCl TS47090 [1,0,0,0,0,0|2,0,1]=4 215 B8R1.2 c1ccnc(c1)CN TS00811 [1,0,0,0,0,0|2,0,1]=4 216 B8R1.2 c1ccnc(c1)CO TS07144 [1,0,0,0,0,0|1,0,1]=3 217 B8R1.2 c1ccnc(c1)CO TS31798 [1,0,0,0,0,0|1,0,1]=3 218 B8R1.2 c1ccnc(c1)CS TS05100 [1,0,0,0,0,0|1,1,1]=4 219 B8R1.2 c1ccnc(c1)NN TS14875 [1,0,0,0,0,0|3,0,0]=4 220 B8R1.2 c1ccnc(c1)NN TS55380 [1,0,0,0,0,0|3,0,0]=4 221 B8R1.2 c1cnc(cn1)C=O TS31759 [1,0,0,0,0,0|2,0,0]=3 222 B8R1.2 c1cnc(cn1)CO TS88438 [1,0,0,0,0,0|2,0,1]=4 223 B8R1.2 c1cnc(nc1)C=O TS02479 [1,0,0,0,0,0|2,0,0]=3 224 B8R1.2 c1cnc(nc1)CO TS00517 [1,0,0,0,0,0|2,0,1]=4 225 B8R1.2 c1cnccc1C#N TS03069 [1,0,0,0,0,0|2,0,1]=4 226 B8R1.2 c1cnccc1C=O TS59369 [1,0,0,0,0,0|1,0,0]=2 227 B8R1.2 c1cnccc1CBr TS39318 [1,0,0,0,0,0|2,0,1]=4 228 B8R1.2 c1cnccc1CCl TS16903 [1,0,0,0,0,0|2,0,1]=4 229 B8R1.2 c1cnccc1CN TS31773 [1,0,0,0,0,0|2,0,1]=4 230 B8R1.2 c1cnccc1CO TS07149 [1,0,0,0,0,0|1,0,1]=3 231 B8R1.2 c1cnccc1CO TS71297 [1,0,0,0,0,0|1,0,1]=3 232 B8R1.2 c1cnccc1NN TS89841 [1,0,0,0,0,0|3,0,0]=4 233 B8R1.2 c1cncnc1C=O TS01666 [1,0,0,0,0,0|2,0,0]=3 234 B8R1.2 c1cncnc1CO TS33139 [1,0,0,0,0,0|2,0,1]=4 235 B8R1.2 c1cnncc1C=O TS87334 [1,0,0,0,0,0|2,0,0]=3 236 B8R1.2 c1cnncc1CO TS89532 [1,0,0,0,0,0|2,0,1]=4 237 B10R1.13 B(c1ccc(cc1)Br)(O)O TS71004 [0,1,0,0,0,0|1,0,1]=3 238 B10R1.13 B(c1ccc(cc1)C)(O)O TS06030 [0,1,0,0,0,0|1,0,1]=3 239 B10R1.13 B(c1ccc(cc1)Cl)(O)O TS10782 [0,1,0,0,0,0|1,0,1]=3 240 B10R1.13 B(c1ccc(cc1)I)(O)O TS93847 [0,1,0,0,0,0|1,0,1]=3 241 B10R1.13 B(c1ccc(cc1)N)(O)O TS94631 [0,1,0,0,0,0|1,0,1]=3 242 B10R1.13 B(c1ccc(cc1)O)(O)O TS94040 [0,1,0,0,0,0|1,0,1]=3 243 B10R1.13 B(c1ccc(cc1)S)(O)O TS71196 [0,1,0,0,0,0|1,0,1]=3 244 B10R1.13 B(c1ccc(cn1)Br)(O)O TS19298 [0,1,0,0,0,0|2,0,1]=4 245 B10R1.13 B(c1ccc(cn1)Cl)(O)O TS03263 [0,1,0,0,0,0|2,0,1]=4 246 B10R1.13 B(c1ccc(nc1)Br)(O)O TS00865 [0,1,0,0,0,0|2,0,1]=4 247 B10R1.13 B(c1ccc(nc1)C)(O)O TS55461 [0,1,0,0,0,0|2,0,1]=4 248 B10R1.13 B(c1ccc(nc1)C)(O)S TS01189 [0,1,0,0,0,0|2,1,0]=4 249 B10R1.13 B(c1ccc(nc1)Cl)(O)O TS00956 [0,1,0,0,0,0|2,0,1]=4 250 B10R1.13 B(c1ccc(nc1)F)(O)O TS55353 [0,1,0,0,0,0|2,0,1]=4 251 B10R1.13 B(c1ccc(nc1)N)(O)O TS90857 [0,1,0,0,0,0|2,0,1]=4 252 B10R1.13 CC(=C)c1ccc(cc1)Cl TS41219 [0,1,0,0,0,0|2,0,0]=3 253 B10R1.13 CC(=C)c1ccc(cc1)F TS36996 [0,1,0,0,0,0|2,0,0]=3 254 B10R1.13 CC(=O)c1ccc(cc1)Cl TS71057 [0,1,0,0,0,0|1,0,0]=2 255 B10R1.13 CC(=O)c1ccc(cc1)F TS93776 [0,1,0,0,0,0|1,0,0]=2 256 B10R1.13 CC(=O)c1ccc(cc1)I TS71192 [0,1,0,0,0,0|1,0,0]=2 257 B10R1.13 CC(=O)c1ccc(cc1)N TS39574 [0,1,0,0,0,0|1,0,0]=2 258 B10R1.13 CC(=O)c1ccc(cc1)N TS45381 [0,1,0,0,0,0|1,0,0]=2 259 B10R1.13 CC(=O)c1ccc(cn1)Br TS08248 [0,1,0,0,0,0|2,0,0]=3 260 B10R1.13 CC(=O)c1ccc(cn1)O TS33043 [0,1,0,0,0,0|2,0,0]=3 261 B10R1.13 CC(=O)c1ccc(nc1)Br TS46737 [0,1,0,0,0,0|2,0,0]=3 262 B10R1.13 CC(=O)c1ccc(nc1)F TS46740 [0,1,0,0,0,0|2,0,0]=3 263 B10R1.13 CC(=O)c1ccc(nn1)Cl TS88128 [0,1,0,0,0,0|3,0,0]=4 264 B10R1.13 CC(=O)c1ccn(=O)cc1 TS06168 [0,1,0,0,0,0|2,0,0]=3 265 B10R1.13 CC(=O)c1cnc(cn1)Cl TS10794 [0,1,0,0,0,0|3,0,0]=4 266 B10R1.13 CC(=O)c1ncc(cn1)Br TS91771 [0,1,0,0,0,0|3,0,0]=4 267 B10R1.13 CC(=O)c1ncc(cn1)F TS89063 [0,1,0,0,0,0|3,0,0]=4 268 B10R1.13 CC(C)c1ccc(cc1)Br TS00030 [0,1,0,0,0,0|2,0,1]=4 269 B10R1.13 CC(C)c1ccc(cc1)F TS06283 [0,1,0,0,0,0|2,0,1]=4 270 B10R1.13 CC(C)c1ccc(cc1)I TS27405 [0,1,0,0,0,0|2,0,1]=4 271 B10R1.13 CC(C)c1ccc(cc1)N TS39757 [0,1,0,0,0,0|2,0,1]=4 272 B10R1.13 CC(C)c1ccc(cc1)O TS06072 [0,1,0,0,0,0|2,0,1]=4 273 B10R1.13 CC(C)c1ccc(cc1)S TS41192 [0,1,0,0,0,0|2,0,1]=4 274 B10R1.13 CC(c1ccc(cc1)Cl)N TS10633 [0,1,0,0,0,0|2,0,1]=4 275 B10R1.13 CC(c1ccc(cc1)Cl)O TS10801 [0,1,0,0,0,0|1,0,1]=3 276 B10R1.13 CC(c1ccc(cc1)F)O TS46723 [0,1,0,0,0,0|1,0,1]=3 277 B10R1.13 CC(c1ccc(cc1)N)O TS37111 [0,1,0,0,0,0|1,0,1]=3 278 B10R1.13 CC(c1ccc(cc1)O)O TS06269 [0,1,0,0,0,0|1,0,1]=3 279 B10R1.13 CN(C)c1ccc(cc1)Br TS39551 [0,1,0,0,0,0|3,0,0]=4 280 B10R1.13 CN(C)c1ccc(cc1)F TS37295 [0,1,0,0,0,0|3,0,0]=4 281 B10R1.13 CN(C)c1ccc(cc1)I TS27558 [0,1,0,0,0,0|3,0,0]=4 282 B10R1.13 CN(C)c1ccc(cc1)N TS24168 [0,1,0,0,0,0|3,0,0]=4 283 B10R1.13 CN(C)c1ccc(cc1)N TS37038 [0,1,0,0,0,0|3,0,0]=4 284 B10R1.13 CN(C)c1ccc(cc1)S TS10342 [0,1,0,0,0,0|3,0,0]=4 285 B10R1.13 CS(=O)c1ccc(cc1)Br TS49559 [0,1,0,0,0,0|2,0,0]=3 286 B10R1.13 CS(=O)c1ccc(cc1)Cl TS45877 [0,1,0,0,0,0|2,0,0]=3 287 B10R1.13 CS(=O)c1ccc(cc1)O TS10695 [0,1,0,0,0,0|2,0,0]=3 288 B10R1.13 C[C@@H](c1ccc(cc1)Br)N TS08104 [0,1,0,0,0,0|2,0,1]=4 289 B10R1.13 C[C@@H](c1ccc(cc1)Br)O TS38046 [0,1,0,0,0,0|1,0,1]=3 290 B10R1.13 C[C@@H](c1ccc(cc1)Cl)N TS41561 [0,1,0,0,0,0|2,0,1]=4 291 B10R1.13 C[C@@H](c1ccc(cc1)Cl)O TS41711 [0,1,0,0,0,0|1,0,1]=3 292 B10R1.13 C[C@@H](c1ccc(cc1)F)N TS39575 [0,1,0,0,0,0|2,0,1]=4 293 B10R1.13 C[C@@H](c1ccc(cc1)F)O TS06456 [0,1,0,0,0,0|1,0,1]=3 294 B10R1.13 C[C@@H](c1ccc(cc1)N)N TS20700 [0,1,0,0,0,0|2,0,1]=4 295 B10R1.13 C[C@H](c1ccc(cc1)Br)O TS38043 [0,1,0,0,0,0|1,0,1]=3 296 B10R1.13 C[C@H](c1ccc(cc1)Cl)N TS10630 [0,1,0,0,0,0|2,0,1]=4 297 B10R1.13 C[C@H](c1ccc(cc1)Cl)O TS41729 [0,1,0,0,0,0|1,0,1]=3 298 B10R1.13 C[C@H](c1ccc(cc1)F)O TS06452 [0,1,0,0,0,0|1,0,1]=3 299 B10R1.13 C[C@H](c1ccc(cc1)N)N TS20699 [0,1,0,0,0,0|2,0,1]=4 300 B10R1.13 C[n+]1ccc(cc1)C(=O)O TS13411 [0,1,0,0,0,0|1,0,0]=2 301 B10R1.13 Cc1ccc(cc1)C(=C)C TS36715 [0,1,0,0,0,0|2,0,0]=3 302 B10R1.13 Cc1ccc(cc1)C(=N)N TS12939 [0,1,0,0,0,0|2,0,0]=3 303 B10R1.13 Cc1ccc(cc1)C(=O)C TS03169 [0,1,0,0,0,0|1,0,0]=2 304 B10R1.13 Cc1ccc(cc1)C(=O)Cl TS01653 [0,1,0,0,0,0|1,0,0]=2 305 B10R1.13 Cc1ccc(cc1)C(=O)N TS36926 [0,1,0,0,0,0|1,0,0]=2 306 B10R1.13 Cc1ccc(cc1)C(=O)O TS39764 [0,1,0,0,0,0|0,0,0]=1 307 B10R1.13 Cc1ccc(cc1)C(=S)N TS41055 [0,1,0,0,0,0|1,1,0]=3 308 B10R1.13 Cc1ccc(cc1)C(C)C TS36855 [0,1,0,0,0,0|2,0,1]=4 309 B10R1.13 Cc1ccc(cc1)C(C)C TS84159 [0,1,0,0,0,0|2,0,1]=4 310 B10R1.13 Cc1ccc(cc1)C(C)N TS46732 [0,1,0,0,0,0|2,0,1]=4 311 B10R1.13 Cc1ccc(cc1)C(C)O TS37018 [0,1,0,0,0,0|1,0,1]=3 312 B10R1.13 Cc1ccc(cc1)C(Cl)Cl TS13626 [0,1,0,0,0,0|2,0,1]=4 313 B10R1.13 Cc1ccc(cc1)N(C)C TS34593 [0,1,0,0,0,0|3,0,0]=4 314 B10R1.13 Cc1ccc(cc1)S(=O)C TS10470 [0,1,0,0,0,0|2,0,0]=3 315 B10R1.13 Cc1ccc(cc1)S(=O)C TS10472 [0,1,0,0,0,0|2,0,0]=3 316 B10R1.13 Cc1ccc(cc1)S(=O)Cl TS45876 [0,1,0,0,0,0|2,0,0]=3 317 B10R1.13 Cc1ccc(cc1)S(=O)N TS10591 [0,1,0,0,0,0|2,0,0]=3 318 B10R1.13 Cc1ccc(cc1)S(=O)N TS10598 [0,1,0,0,0,0|2,0,0]=3 319 B10R1.13 Cc1ccc(cc1)S(=O)[O-] TS39762 [0,1,0,0,0,0|1,0,1]=3 320 B10R1.13 Cc1ccc(cc1)S(=O)[O-] TS42392 [0,1,0,0,0,0|1,0,1]=3 321 B10R1.13 Cc1ccc(cc1)S(=O)[O-] TS67027 [0,1,0,0,0,0|1,0,1]=3 322 B10R1.13 Cc1ccc(cc1)[C@@H](C)N TS00309 [0,1,0,0,0,0|2,0,1]=4 323 B10R1.13 Cc1ccc(cc1)[C@@H](C)N TS06017 [0,1,0,0,0,0|2,0,1]=4 324 B10R1.13 Cc1ccc(cc1)[C@H](C)N TS08092 [0,1,0,0,0,0|2,0,1]=4 325 B10R1.13 Cc1ccc(cc1)[N+](=O)[O-] TS37094 [0,1,0,0,0,0|1,0,1]=3 326 B10R1.13 Cc1ccc(cn1)C(=O)C TS03210 [0,1,0,0,0,0|2,0,0]=3 327 B10R1.13 Cc1ccc(cn1)C(=O)N TS06052 [0,1,0,0,0,0|2,0,0]=3 328 B10R1.13 Cc1ccc(cn1)C(=O)O TS01267 [0,1,0,0,0,0|1,0,0]=2 329 B10R1.13 Cc1ccc(cn1)C(=S)N TS41172 [0,1,0,0,0,0|2,1,0]=4 330 B10R1.13 Cc1ccc(cn1)[N+](=O)[O-] TS55458 [0,1,0,0,0,0|2,0,1]=4 331 B10R1.13 Cc1ccc(nc1)C(=O)C TS36938 [0,1,0,0,0,0|2,0,0]=3 332 B10R1.13 Cc1ccc(nc1)C(=O)O TS01161 [0,1,0,0,0,0|1,0,0]=2 333 B10R1.13 Cc1ccc(nc1)[N+](=O)[O-] TS06235 [0,1,0,0,0,0|2,0,1]=4 334 B10R1.13 Cc1cnc(cn1)C(=O)O TS01145 [0,1,0,0,0,0|2,0,0]=3 335 B10R1.13 Cc1cnc(nc1)C(=O)O TS90420 [0,1,0,0,0,0|2,0,0]=3 336 B10R1.13 Cc1ncc(cn1)C(=O)O TS02452 [0,1,0,0,0,0|2,0,0]=3 337 B10R1.13 c1c(cnc(n1)C(=O)O)Br TS38365 [0,1,0,0,0,0|2,0,0]=3 338 B10R1.13 c1c(cnc(n1)C(=O)O)Br TS81900 [0,1,0,0,0,0|2,0,0]=3 339 B10R1.13 c1c(cnc(n1)C(=O)O)Cl TS86274 [0,1,0,0,0,0|2,0,0]=3 340 B10R1.13 c1c(cnc(n1)C(=O)O)F TS90778 [0,1,0,0,0,0|2,0,0]=3 341 B10R1.13 c1c(cnc(n1)C(=O)O)N TS71387 [0,1,0,0,0,0|2,0,0]=3 342 B10R1.13 c1c(cnc(n1)Cl)C(=O)O TS00962 [0,1,0,0,0,0|2,0,0]=3 343 B10R1.13 c1c(cnc(n1)N)C(=O)O TS00824 [0,1,0,0,0,0|2,0,0]=3 344 B10R1.13 c1c(cnc(n1)O)C(=O)O TS86644 [0,1,0,0,0,0|2,0,0]=3 345 B10R1.13 c1c(ncc(=O)[nH]1)C(=O)[O-] TS11486 [0,1,0,0,0,0|2,0,1]=4 346 B10R1.13 c1c(ncc(n1)Cl)C(=O)O TS71521 [0,1,0,0,0,0|2,0,0]=3 347 B10R1.13 c1c(ncc(n1)N)C(=O)O TS47452 [0,1,0,0,0,0|2,0,0]=3 348 B10R1.13 c1c(ncc(n1)O)C(=O)O TS03342 [0,1,0,0,0,0|2,0,0]=3 349 B10R1.13 c1cc(=O)[nH]nc1C(=O)O TS16305 [0,1,0,0,0,0|2,0,0]=3 350 B10R1.13 c1cc(=O)occ1C(=O)O TS06408 [0,1,0,0,0,0|1,0,0]=2 351 B10R1.13 c1cc(ccc1C(=N)N)Br TS09590 [0,1,0,0,0,0|2,0,0]=3 352 B10R1.13 c1cc(ccc1C(=N)N)Br TS39740 [0,1,0,0,0,0|2,0,0]=3 353 B10R1.13 c1cc(ccc1C(=N)N)Cl TS33150 [0,1,0,0,0,0|2,0,0]=3 354 B10R1.13 c1cc(ccc1C(=N)N)Cl TS54571 [0,1,0,0,0,0|2,0,0]=3 355 B10R1.13 c1cc(ccc1C(=N)N)Cl TS71058 [0,1,0,0,0,0|2,0,0]=3 356 B10R1.13 c1cc(ccc1C(=N)N)F TS03080 [0,1,0,0,0,0|2,0,0]=3 357 B10R1.13 c1cc(ccc1C(=N)N)I TS54570 [0,1,0,0,0,0|2,0,0]=3 358 B10R1.13 c1cc(ccc1C(=N)N)N TS45388 [0,1,0,0,0,0|2,0,0]=3 359 B10R1.13 c1cc(ccc1C(=N)N)N TS70909 [0,1,0,0,0,0|2,0,0]=3 360 B10R1.13 c1cc(ccc1C(=N)N)O TS59618 [0,1,0,0,0,0|2,0,0]=3 361 B10R1.13 c1cc(ccc1C(=O)Cl)Br TS49661 [0,1,0,0,0,0|1,0,0]=2 362 B10R1.13 c1cc(ccc1C(=O)Cl)Cl TS33153 [0,1,0,0,0,0|1,0,0]=2 363 B10R1.13 c1cc(ccc1C(=O)Cl)F TS03086 [0,1,0,0,0,0|1,0,0]=2 364 B10R1.13 c1cc(ccc1C(=O)Cl)I TS07802 [0,1,0,0,0,0|1,0,0]=2 365 B10R1.13 c1cc(ccc1C(=O)N)Br TS18936 [0,1,0,0,0,0|1,0,0]=2 366 B10R1.13 c1cc(ccc1C(=O)N)Cl TS10614 [0,1,0,0,0,0|1,0,0]=2 367 B10R1.13 c1cc(ccc1C(=O)N)F TS37268 [0,1,0,0,0,0|1,0,0]=2 368 B10R1.13 c1cc(ccc1C(=O)N)I TS71195 [0,1,0,0,0,0|1,0,0]=2 369 B10R1.13 c1cc(ccc1C(=O)N)N TS39733 [0,1,0,0,0,0|1,0,0]=2 370 B10R1.13 c1cc(ccc1C(=O)N)O TS71168 [0,1,0,0,0,0|1,0,0]=2 371 B10R1.13 c1cc(ccc1C(=O)O)Br TS09594 [0,1,0,0,0,0|0,0,0]=1 372 B10R1.13 c1cc(ccc1C(=O)O)Cl TS10787 [0,1,0,0,0,0|0,0,0]=1 373 B10R1.13 c1cc(ccc1C(=O)O)F TS03084 [0,1,0,0,0,0|0,0,0]=1 374 B10R1.13 c1cc(ccc1C(=O)O)I TS09716 [0,1,0,0,0,0|0,0,0]=1 375 B10R1.13 c1cc(ccc1C(=O)O)N TS08869 [0,1,0,0,0,0|0,0,0]=1 376 B10R1.13 c1cc(ccc1C(=O)O)N TS13413 [0,1,0,0,0,0|0,0,0]=1 377 B10R1.13 c1cc(ccc1C(=O)O)O TS09131 [0,1,0,0,0,0|0,0,0]=1 378 B10R1.13 c1cc(ccc1C(=O)O)S TS39758 [0,1,0,0,0,0|0,0,0]=1 379 B10R1.13 c1cc(ccc1C(=O)[O-])Cl TS14298 [0,1,0,0,0,0|0,0,1]=2 380 B10R1.13 c1cc(ccc1C(=O)[O-])F TS11488 [0,1,0,0,0,0|0,0,1]=2 381 B10R1.13 c1cc(ccc1C(=O)[O-])N TS58696 [0,1,0,0,0,0|0,0,1]=2 382 B10R1.13 c1cc(ccc1C(=O)[O-])O TS42110 [0,1,0,0,0,0|0,0,1]=2 383 B10R1.13 c1cc(ccc1C(=O)[O-])O TS46099 [0,1,0,0,0,0|0,0,1]=2 384 B10R1.13 c1cc(ccc1C(=S)N)Br TS21979 [0,1,0,0,0,0|1,1,0]=3 385 B10R1.13 c1cc(ccc1C(=S)N)Cl TS09015 [0,1,0,0,0,0|1,1,0]=3 386 B10R1.13 c1cc(ccc1C(=S)N)F TS41515 [0,1,0,0,0,0|1,1,0]=3 387 B10R1.13 c1cc(ccc1C(=S)N)N TS10202 [0,1,0,0,0,0|1,1,0]=3 388 B10R1.13 c1cc(ccc1C(=S)N)O TS03140 [0,1,0,0,0,0|1,1,0]=3 389 B10R1.13 c1cc(ccc1C(Cl)Cl)Cl TS52070 [0,1,0,0,0,0|2,0,1]=4 390 B10R1.13 c1cc(ccc1C(Cl)Cl)F TS47663 [0,1,0,0,0,0|2,0,1]=4 391 B10R1.13 c1cc(ccc1C(F)F)Br TS00409 [0,1,0,0,0,0|2,0,1]=4 392 B10R1.13 c1cc(ccc1Cl)[Se](=O)O TS50375 [0,1,0,0,0,0|1,0,0]=2 393 B10R1.13 c1cc(ccc1F)S(=O)[O-] TS01688 [0,1,0,0,0,0|1,0,1]=3 394 B10R1.13 c1cc(ccc1N(=O)=O)F TS03096 [0,1,0,0,0,0|1,0,1]=3 395 B10R1.13 c1cc(ccc1N)[N+](=O)[O-] TS09744 [0,1,0,0,0,0|1,0,1]=3 396 B10R1.13 c1cc(ccc1S(=O)[O-])Br TS54208 [0,1,0,0,0,0|1,0,1]=3 397 B10R1.13 c1cc(ccc1S(=O)[O-])Cl TS18735 [0,1,0,0,0,0|1,0,1]=3 398 B10R1.13 c1cc(ccc1[N+](=O)[O-])Br TS00415 [0,1,0,0,0,0|1,0,1]=3 399 B10R1.13 c1cc(ccc1[N+](=O)[O-])Cl TS41832 [0,1,0,0,0,0|1,0,1]=3 400 B10R1.13 c1cc(ccc1[N+](=O)[O-])I TS09204 [0,1,0,0,0,0|1,0,1]=3 401 B10R1.13 c1cc(ccc1[N+](=O)[O-])O TS06354 [0,1,0,0,0,0|1,0,1]=3 402 B10R1.13 c1cc(ccc1[N+](=O)[O-])O TS92945 [0,1,0,0,0,0|1,0,1]=3 403 B10R1.13 c1cc(ccc1[N+](=O)[O-])S TS41511 [0,1,0,0,0,0|1,0,1]=3 404 B10R1.13 c1cc(ncc1Br)C(=O)Cl TS49866 [0,1,0,0,0,0|2,0,0]=3 405 B10R1.13 c1cc(ncc1Br)C(=O)N TS16791 [0,1,0,0,0,0|2,0,0]=3 406 B10R1.13 c1cc(ncc1Br)C(=O)O TS71440 [0,1,0,0,0,0|1,0,0]=2 407 B10R1.13 c1cc(ncc1Br)[N+](=O)[O-] TS71437 [0,1,0,0,0,0|2,0,1]=4 408 B10R1.13 c1cc(ncc1C(=N)N)F TS92781 [0,1,0,0,0,0|3,0,0]=4 409 B10R1.13 c1cc(ncc1C(=O)Cl)Cl TS46030 [0,1,0,0,0,0|2,0,0]=3 410 B10R1.13 c1cc(ncc1C(=O)N)Cl TS85258 [0,1,0,0,0,0|2,0,0]=3 411 B10R1.13 c1cc(ncc1C(=O)N)N TS06177 [0,1,0,0,0,0|2,0,0]=3 412 B10R1.13 c1cc(ncc1C(=O)O)Br TS16472 [0,1,0,0,0,0|1,0,0]=2 413 B10R1.13 c1cc(ncc1C(=O)O)Cl TS55579 [0,1,0,0,0,0|1,0,0]=2 414 B10R1.13 c1cc(ncc1C(=O)O)F TS01231 [0,1,0,0,0,0|1,0,0]=2 415 B10R1.13 c1cc(ncc1C(=O)O)N TS01208 [0,1,0,0,0,0|1,0,0]=2 416 B10R1.13 c1cc(ncc1C(=O)O)N TS45868 [0,1,0,0,0,0|1,0,0]=2 417 B10R1.13 c1cc(ncc1C(=O)O)O TS87251 [0,1,0,0,0,0|1,0,0]=2 418 B10R1.13 c1cc(ncc1C(=O)O)S TS41509 [0,1,0,0,0,0|1,0,0]=2 419 B10R1.13 c1cc(ncc1Cl)C(=N)N TS87123 [0,1,0,0,0,0|3,0,0]=4 420 B10R1.13 c1cc(ncc1Cl)C(=O)O TS03261 [0,1,0,0,0,0|1,0,0]=2 421 B10R1.13 c1cc(ncc1Cl)[N+](=O)[O-] TS03258 [0,1,0,0,0,0|2,0,1]=4 422 B10R1.13 c1cc(ncc1F)C(=N)N TS91292 [0,1,0,0,0,0|3,0,0]=4 423 B10R1.13 c1cc(ncc1F)C(=O)O TS03309 [0,1,0,0,0,0|1,0,0]=2 424 B10R1.13 c1cc(ncc1F)[N+](=O)[O-] TS03308 [0,1,0,0,0,0|2,0,1]=4 425 B10R1.13 c1cc(ncc1N)C(=O)N TS39339 [0,1,0,0,0,0|2,0,0]=3 426 B10R1.13 c1cc(ncc1N)C(=O)O TS03222 [0,1,0,0,0,0|1,0,0]=2 427 B10R1.13 c1cc(ncc1N)C(=O)O TS45870 [0,1,0,0,0,0|1,0,0]=2 428 B10R1.13 c1cc(ncc1N)[N+](=O)[O-] TS03221 [0,1,0,0,0,0|2,0,1]=4 429 B10R1.13 c1cc(ncc1O)C(=O)O TS03341 [0,1,0,0,0,0|1,0,0]=2 430 B10R1.13 c1cc(ncc1O)[N+](=O)[O-] TS55630 [0,1,0,0,0,0|2,0,1]=4 431 B10R1.13 c1cc(ncc1[N+](=O)[O-])Br TS55133 [0,1,0,0,0,0|2,0,1]=4 432 B10R1.13 c1cc(ncc1[N+](=O)[O-])Cl TS00925 [0,1,0,0,0,0|2,0,1]=4 433 B10R1.13 c1cc(ncc1[N+](=O)[O-])F TS01017 [0,1,0,0,0,0|2,0,1]=4 434 B10R1.13 c1cc(ncc1[N+](=O)[O-])I TS62780 [0,1,0,0,0,0|2,0,1]=4 435 B10R1.13 c1cc(ncc1[N+](=O)[O-])N TS37258 [0,1,0,0,0,0|2,0,1]=4 436 B10R1.13 c1cc(ncc1[N+](=O)[O-])O TS01055 [0,1,0,0,0,0|2,0,1]=4 437 B10R1.13 c1cc(ncc1[N+](=O)[O-])S TS10668 [0,1,0,0,0,0|2,0,1]=4 438 B10R1.13 c1cc(nnc1C(=O)N)Cl TS41834 [0,1,0,0,0,0|3,0,0]=4 439 B10R1.13 c1cc(nnc1C(=O)O)Cl TS55585 [0,1,0,0,0,0|2,0,0]=3 440 B10R1.13 c1cc(nnc1C(=O)O)N TS01212 [0,1,0,0,0,0|2,0,0]=3 441 B10R1.13 c1cc(nnc1C(=O)O)O TS88093 [0,1,0,0,0,0|2,0,0]=3 442 B10R1.13 c1cn(=O)ccc1C(=O)O TS39932 [0,1,0,0,0,0|1,0,0]=2 443 B10R1.13 c1cn(=O)ccc1N(=O)=O TS71263 [0,1,0,0,0,0|2,0,1]=4 444 B10R1.15 C#CC(c1ccccc1)O TS36663 [0,1,0,0,0,0|1,0,1]=3 445 B10R1.15 C=C(CO)c1ccncc1 TS36912 [0,1,0,0,0,0|2,0,0]=3 446 B10R1.15 C=CC(c1ccccc1)Cl TS41223 [0,1,0,0,0,0|2,0,1]=4 447 B10R1.15 C=CC(c1ccccc1)O TS36829 [0,1,0,0,0,0|1,0,1]=3 448 B10R1.15 C=CS(=O)c1ccccc1 TS41168 [0,1,0,0,0,0|2,0,0]=3 449 B10R1.15 C=C[C@@H](c1ccccc1)O TS36848 [0,1,0,0,0,0|1,0,1]=3 450 B10R1.15 C=C[C@H](c1ccccc1)O TS36828 [0,1,0,0,0,0|1,0,1]=3 451 B10R1.15 CC(=NN)c1ccccc1 TS05912 [0,1,0,0,0,0|2,0,0]=3 452 B10R1.15 CC(=NO)c1ccccc1 TS36930 [0,1,0,0,0,0|1,0,0]=2 453 B10R1.15 CC(=NO)c1cccnc1 TS06046 [0,1,0,0,0,0|2,0,0]=3 454 B10R1.15 CC(=NO)c1ccncc1 TS06055 [0,1,0,0,0,0|2,0,0]=3 455 B10R1.15 CC(CBr)c1ccccc1 TS54166 [0,1,0,0,0,0|2,0,1]=4 456 B10R1.15 CC(CN)c1ccccc1 TS36949 [0,1,0,0,0,0|2,0,1]=4 457 B10R1.15 CC(CO)c1ccccc1 TS06093 [0,1,0,0,0,0|1,0,1]=3 458 B10R1.15 CC(c1ccccc1)[N+]#[C-] TS05667 [0,1,0,0,0,0|2,0,1]=4 459 B10R1.15 CC=C(C)c1ccccc1 TS36697 [0,1,0,0,0,0|2,0,0]=3 460 B10R1.15 CCC(=C)c1ccccc1 TS36703 [0,1,0,0,0,0|2,0,0]=3 461 B10R1.15 CCC(=O)c1ccccc1 TS00059 [0,1,0,0,0,0|1,0,0]=2 462 B10R1.15 CCC(=O)c1ccccn1 TS36934 [0,1,0,0,0,0|2,0,0]=3 463 B10R1.15 CCC(=O)c1cccnc1 TS36927 [0,1,0,0,0,0|2,0,0]=3 464 B10R1.15 CCC(=O)c1ccncc1 TS36919 [0,1,0,0,0,0|2,0,0]=3 465 B10R1.15 CCC(=O)c1cnccn1 TS88981 [0,1,0,0,0,0|3,0,0]=4 466 B10R1.15 CCC(C)c1ccccc1 TS36864 [0,1,0,0,0,0|2,0,1]=4 467 B10R1.15 CCC(c1ccccc1)N TS36947 [0,1,0,0,0,0|2,0,1]=4 468 B10R1.15 CCC(c1ccccc1)O TS37007 [0,1,0,0,0,0|1,0,1]=3 469 B10R1.15 CCN(C)c1ccccc1 TS36948 [0,1,0,0,0,0|3,0,0]=4 470 B10R1.15 CCN(c1ccccc1)N TS06110 [0,1,0,0,0,0|3,0,0]=4 471 B10R1.15 CC[C@H](c1ccccc1)N TS46586 [0,1,0,0,0,0|2,0,1]=4 472 B10R1.15 CC[C@H](c1ccccc1)O TS00311 [0,1,0,0,0,0|1,0,1]=3 473 B10R1.15 CN(C=O)c1ccccc1 TS36925 [0,1,0,0,0,0|2,0,0]=3 474 B10R1.15 CN(C=O)c1ccccn1 TS06069 [0,1,0,0,0,0|3,0,0]=4 475 B10R1.15 CN(c1ccccc1)N=O TS06063 [0,1,0,0,0,0|2,0,0]=3 476 B10R1.15 CNC(=O)c1ccccc1 TS01597 [0,1,0,0,0,0|1,0,0]=2 477 B10R1.15 CNC(=O)c1cccnc1 TS06060 [0,1,0,0,0,0|2,0,0]=3 478 B10R1.15 COC(=N)c1ccccc1 TS45386 [0,1,0,0,0,0|1,0,0]=2 479 B10R1.15 COC(=N)c1ccccn1 TS02314 [0,1,0,0,0,0|2,0,0]=3 480 B10R1.15 COC(=N)c1cnccn1 TS06178 [0,1,0,0,0,0|3,0,0]=4 481 B10R1.15 COC(=O)N1CC=CC=C1 TS06359 [0,1,0,0,0,0|1,0,1]=3 482 B10R1.15 COC(=O)c1ccccc1 TS00163 [0,1,0,0,0,0|0,0,0]=1 483 B10R1.15 COC(=O)c1ccccn1 TS06161 [0,1,0,0,0,0|1,0,0]=2 484 B10R1.15 COC(=O)c1cccnc1 TS37100 [0,1,0,0,0,0|1,0,0]=2 485 B10R1.15 COC(=O)c1cccnn1 TS90030 [0,1,0,0,0,0|2,0,0]=3 486 B10R1.15 COC(=O)c1ccncc1 TS06163 [0,1,0,0,0,0|1,0,0]=2 487 B10R1.15 COC(=O)c1ccncn1 TS59823 [0,1,0,0,0,0|2,0,0]=3 488 B10R1.15 COC(=O)c1ccnnc1 TS90861 [0,1,0,0,0,0|2,0,0]=3 489 B10R1.15 COC(=O)c1cncnc1 TS01558 [0,1,0,0,0,0|2,0,0]=3 490 B10R1.15 COC(=O)c1ncccn1 TS01557 [0,1,0,0,0,0|2,0,0]=3 491 B10R1.15 COS(=O)c1ccccc1 TS10693 [0,1,0,0,0,0|1,0,0]=2 492 B10R1.15 C[C@@H](CN)c1ccccc1 TS08913 [0,1,0,0,0,0|2,0,1]=4 493 B10R1.15 C[C@@H](CO)c1ccccc1 TS37012 [0,1,0,0,0,0|1,0,1]=3 494 B10R1.15 C[C@@H](c1ccccc1)NC TS36939 [0,1,0,0,0,0|2,0,1]=4 495 B10R1.15 C[C@@H](c1ccccc1)NO TS37112 [0,1,0,0,0,0|1,0,1]=3 496 B10R1.15 C[C@H](CN)c1ccccc1 TS08921 [0,1,0,0,0,0|2,0,1]=4 497 B10R1.15 C[C@H](CO)c1ccccc1 TS37011 [0,1,0,0,0,0|1,0,1]=3 498 B10R1.15 C[C@H](C[NH-])c1ccccc1 TS40751 [0,1,0,0,0,0|2,0,1]=4 499 B10R1.15 C[C@H](c1ccccc1)NC TS39981 [0,1,0,0,0,0|2,0,1]=4 500 B10R1.15 C[C@H](c1ccccc1)NO TS06188 [0,1,0,0,0,0|1,0,1]=3 501 B10R1.15 C[C@H](c1ccccc1)[N+]#[C-] TS05668 [0,1,0,0,0,0|2,0,1]=4 502 B10R1.15 c1cc(cnc1)C(=NO)N TS08672 [0,1,0,0,0,0|2,0,0]=3 503 B10R1.15 c1cc(cnc1)C(=O)CBr TS09434 [0,1,0,0,0,0|2,0,0]=3 504 B10R1.15 c1cc(cnc1)C(=O)CCl TS94820 [0,1,0,0,0,0|2,0,0]=3 505 B10R1.15 c1cc(cnc1)C(=O)NN TS56400 [0,1,0,0,0,0|2,0,0]=3 506 B10R1.15 c1cc(cnc1)C(=O)NO TS37159 [0,1,0,0,0,0|1,0,0]=2 507 B10R1.15 c1cc(cnc1)C(CN)O TS37204 [0,1,0,0,0,0|2,0,1]=4 508 B10R1.15 c1cc(cnc1)[C@H](CCl)O TS10916 [0,1,0,0,0,0|2,0,1]=4 509 B10R1.15 c1ccc(cc1)C(=CBr)Br TS29726 [0,1,0,0,0,0|2,0,0]=3 510 B10R1.15 c1ccc(cc1)C(=NN)Cl TS41464 [0,1,0,0,0,0|2,0,0]=3 511 B10R1.15 c1ccc(cc1)C(=NO)Cl TS10615 [0,1,0,0,0,0|1,0,0]=2 512 B10R1.15 c1ccc(cc1)C(=O)C#N TS05650 [0,1,0,0,0,0|1,0,0]=2 513 B10R1.15 c1ccc(cc1)C(=O)C=O TS36799 [0,1,0,0,0,0|0,0,1]=2 514 B10R1.15 c1ccc(cc1)C(=O)CBr TS55148 [0,1,0,0,0,0|1,0,0]=2 515 B10R1.15 c1ccc(cc1)C(=O)CCl TS10529 [0,1,0,0,0,0|1,0,0]=2 516 B10R1.15 c1ccc(cc1)C(=O)CN TS47462 [0,1,0,0,0,0|1,0,0]=2 517 B10R1.15 c1ccc(cc1)C(=O)CO TS55394 [0,1,0,0,0,0|0,0,0]=1 518 B10R1.15 c1ccc(cc1)C(=O)NN TS55745 [0,1,0,0,0,0|1,0,0]=2 519 B10R1.15 c1ccc(cc1)C(=O)NO TS37093 [0,1,0,0,0,0|0,0,0]=1 520 B10R1.15 c1ccc(cc1)C(=O)N[O-] TS11100 [0,1,0,0,0,0|0,0,1]=2 521 B10R1.15 c1ccc(cc1)C(=O)N[O-] TS13711 [0,1,0,0,0,0|0,0,1]=2 522 B10R1.15 c1ccc(cc1)C(C#N)Br TS18169 [0,1,0,0,0,0|2,0,1]=4 523 B10R1.15 c1ccc(cc1)C(C#N)N TS22755 [0,1,0,0,0,0|2,0,1]=4 524 B10R1.15 c1ccc(cc1)C(CBr)Br TS29982 [0,1,0,0,0,0|2,0,1]=4 525 B10R1.15 c1ccc(cc1)C(CBr)O TS08926 [0,1,0,0,0,0|1,0,1]=3 526 B10R1.15 c1ccc(cc1)C(CN)Cl TS41559 [0,1,0,0,0,0|2,0,1]=4 527 B10R1.15 c1ccc(cc1)C(CN)N TS37030 [0,1,0,0,0,0|2,0,1]=4 528 B10R1.15 c1ccc(cc1)C(CN)O TS45701 [0,1,0,0,0,0|1,0,1]=3 529 B10R1.15 c1ccc(cc1)C(CN)O TS93680 [0,1,0,0,0,0|1,0,1]=3 530 B10R1.15 c1ccc(cc1)C(CO)N TS37105 [0,1,0,0,0,0|1,0,1]=3 531 B10R1.15 c1ccc(cc1)C(CO)O TS06242 [0,1,0,0,0,0|0,0,2]=3 532 B10R1.15 c1ccc(cc1)N(N=O)[O-] TS10566 [0,1,0,0,0,0|1,0,1]=3 533 B10R1.15 c1ccc(cc1)N(N=O)[O-] TS70284 [0,1,0,0,0,0|1,0,1]=3 534 B10R1.15 c1ccc(cc1)S(=O)CCl TS45878 [0,1,0,0,0,0|2,0,0]=3 535 B10R1.15 c1ccc(cc1)[C@@H](CCl)O TS10799 [0,1,0,0,0,0|1,0,1]=3 536 B10R1.15 c1ccc(cc1)[C@@H](CN)O TS64977 [0,1,0,0,0,0|1,0,1]=3 537 B10R1.15 c1ccc(cc1)[C@@H](CO)N TS06187 [0,1,0,0,0,0|1,0,1]=3 538 B10R1.15 c1ccc(cc1)[C@@H](CO)O TS08646 [0,1,0,0,0,0|0,0,2]=3 539 B10R1.15 c1ccc(cc1)[C@H](C#N)O TS36753 [0,1,0,0,0,0|1,0,1]=3 540 B10R1.15 c1ccc(cc1)[C@H](CCl)O TS41718 [0,1,0,0,0,0|1,0,1]=3 541 B10R1.15 c1ccc(cc1)[C@H](CN)O TS08918 [0,1,0,0,0,0|1,0,1]=3 542 B10R1.15 c1ccc(cc1)[C@H](CO)N TS00302 [0,1,0,0,0,0|1,0,1]=3 543 B10R1.15 c1ccc(cc1)[C@H](CO)O TS59488 [0,1,0,0,0,0|0,0,2]=3 544 B10R1.15 c1ccnc(c1)C(=NO)N TS06176 [0,1,0,0,0,0|2,0,0]=3 545 B10R1.15 c1ccnc(c1)C(=O)CBr TS18939 [0,1,0,0,0,0|2,0,0]=3 546 B10R1.15 c1ccnc(c1)C(=O)CBr TS55077 [0,1,0,0,0,0|2,0,0]=3 547 B10R1.15 c1ccnc(c1)C(=O)NN TS06175 [0,1,0,0,0,0|2,0,0]=3 548 B10R1.15 c1cnc(cn1)C(=NO)N TS37168 [0,1,0,0,0,0|3,0,0]=4 549 B10R1.15 c1cnc(cn1)C(=O)CBr TS08470 [0,1,0,0,0,0|3,0,0]=4 550 B10R1.15 c1cnc(cn1)C(=O)NN TS37166 [0,1,0,0,0,0|3,0,0]=4 551 B10R1.15 c1cnccc1C(=NO)N TS77169 [0,1,0,0,0,0|2,0,0]=3 552 B10R1.15 c1cnccc1C(=O)CBr TS16896 [0,1,0,0,0,0|2,0,0]=3 553 B10R1.15 c1cnccc1C(=O)NN TS06172 [0,1,0,0,0,0|2,0,0]=3 554 B10R1.15 c1cnccc1C(CN)O TS43948 [0,1,0,0,0,0|2,0,1]=4 555 B10R1.15 c1cncnc1C(=O)NN TS37167 [0,1,0,0,0,0|3,0,0]=4 556 B10R1.28 CC(C)(C)c1ccccc1 TS36860 [0,1,0,0,0,0|2,0,1]=4 557 B10R1.28 CC(C)(c1ccccc1)Cl TS55727 [0,1,0,0,0,0|2,0,1]=4 558 B10R1.28 CC(C)(c1ccccc1)N TS01396 [0,1,0,0,0,0|2,0,1]=4 559 B10R1.28 CC(C)(c1ccccc1)O TS37014 [0,1,0,0,0,0|1,0,1]=3 560 B10R1.28 CC(C)(c1ccccc1)S TS41195 [0,1,0,0,0,0|1,1,1]=4 561 B10R1.28 CC(C)(c1ccccn1)O TS37126 [0,1,0,0,0,0|2,0,1]=4 562 B10R1.28 CC(C)(c1ccncc1)O TS37127 [0,1,0,0,0,0|2,0,1]=4 563 B10R1.28 CP(=O)(c1ccccc1)O TS10652 [0,1,0,0,0,0|1,0,0]=2 564 B10R1.28 CS(=N)(=O)c1ccccc1 TS10592 [0,1,0,0,0,0|2,0,0]=3 565 B10R1.28 CS(=N)(=O)c1ccccc1 TS10595 [0,1,0,0,0,0|2,0,0]=3 566 B10R1.28 CS(=O)(=O)c1ccccc1 TS10691 [0,1,0,0,0,0|1,0,1]=3 567 B10R1.28 C[Ge](C)(C)c1ccccc1 TS17979 [0,1,0,0,0,0|2,1,0]=4 568 B10R1.28 C[Ge](C)(c1ccccc1)Cl TS44679 [0,1,0,0,0,0|2,1,0]=4 569 B10R1.28 C[N+](C)(C)c1ccccc1 TS13087 [0,1,0,0,0,0|3,0,0]=4 570 B10R1.28 C[N+](C)(C)c1ccccc1 TS21988 [0,1,0,0,0,0|3,0,0]=4 571 B10R1.28 C[N+](C)(C)c1ccccc1 TS27630 [0,1,0,0,0,0|3,0,0]=4 572 B10R1.28 C[N+](C)(C)c1ccccc1 TS41300 [0,1,0,0,0,0|3,0,0]=4 573 B10R1.28 C[Si](C)(C)c1ccccc1 TS40935 [0,1,0,0,0,0|2,1,0]=4 574 B10R1.28 C[Si](C)(c1ccccc1)Cl TS12944 [0,1,0,0,0,0|2,1,0]=4 575 B10R1.28 C[Si](C)(c1ccccc1)F TS41455 [0,1,0,0,0,0|2,1,0]=4 576 B10R1.28 C[Sn](C)(C)c1ccccc1 TS57483 [0,1,0,0,0,0|3,0,0]=4 577 B10R1.28 [B-](c1ccccc1)(F)(F)F TS48512 [0,1,0,0,0,0|3,0,0]=4 578 B10R1.28 c1c[nH+]ccc1S(=O)(=O)Cl TS32976 [0,1,0,0,0,0|2,0,1]=4 579 B10R1.28 c1cc(cnc1)S(=O)(=O)Cl TS59375 [0,1,0,0,0,0|2,0,1]=4 580 B10R1.28 c1cc(cnc1)S(=O)(=O)Cl TS93392 [0,1,0,0,0,0|2,0,1]=4 581 B10R1.28 c1cc(cnc1)S(=O)(=O)O TS02890 [0,1,0,0,0,0|2,0,0]=3 582 B10R1.28 c1cc(cnc1)S(=O)(=O)[O-] TS48048 [0,1,0,0,0,0|2,0,1]=4 583 B10R1.28 c1ccc(cc1)C(Cl)(Cl)Cl TS52078 [0,1,0,0,0,0|2,0,1]=4 584 B10R1.28 c1ccc(cc1)C(F)(F)F TS40366 [0,1,0,0,0,0|2,0,1]=4 585 B10R1.28 c1ccc(cc1)P(=O)(Cl)Cl TS59342 [0,1,0,0,0,0|2,0,0]=3 586 B10R1.28 c1ccc(cc1)P(=O)(O)O TS29485 [0,1,0,0,0,0|1,0,0]=2 587 B10R1.28 c1ccc(cc1)P(=O)([O-])[O-] TS38199 [0,1,0,0,0,0|1,0,1]=3 588 B10R1.28 c1ccc(cc1)P(=S)(Cl)Cl TS21054 [0,1,0,0,0,0|2,1,0]=4 589 B10R1.28 c1ccc(cc1)S(=O)(=O)Br TS49902 [0,1,0,0,0,0|1,0,1]=3 590 B10R1.28 c1ccc(cc1)S(=O)(=O)Cl TS13945 [0,1,0,0,0,0|1,0,1]=3 591 B10R1.28 c1ccc(cc1)S(=O)(=O)F TS11207 [0,1,0,0,0,0|1,0,1]=3 592 B10R1.28 c1ccc(cc1)S(=O)(=O)N TS39806 [0,1,0,0,0,0|1,0,1]=3 593 B10R1.28 c1ccc(cc1)S(=O)(=O)O TS10960 [0,1,0,0,0,0|1,0,0]=2 594 B10R1.28 c1ccc(cc1)S(=O)(=O)O TS24749 [0,1,0,0,0,0|1,0,0]=2 595 B10R1.28 c1ccc(cc1)S(=O)(=O)[O-] TS14548 [0,1,0,0,0,0|1,0,1]=3 596 B10R1.28 c1ccc(cc1)S(=O)(=O)[O-] TS18299 [0,1,0,0,0,0|1,0,1]=3 597 B10R1.28 c1ccc(cc1)S(=O)(=O)[O-] TS34113 [0,1,0,0,0,0|1,0,1]=3 598 B10R1.28 c1ccc(cc1)S(=O)(=O)[O-] TS60104 [0,1,0,0,0,0|1,0,1]=3 599 B10R1.28 c1ccc(cc1)S(=O)(=O)[O-] TS80092 [0,1,0,0,0,0|1,0,1]=3 600 B10R1.28 c1ccc(cc1)S(=O)(=S)[O-] TS18254 [0,1,0,0,0,0|1,0,1]=3 601 B10R1.28 c1ccc(cc1)[Si](Cl)(Cl)Cl TS21192 [0,1,0,0,0,0|2,1,0]=4 602 B10R1.28 c1ccc(cc1)[Si](F)(F)F TS11533 [0,1,0,0,0,0|2,1,0]=4 603 B10R1.28 c1ccnc(c1)S(=O)(=O)Cl TS02472 [0,1,0,0,0,0|2,0,1]=4 604 B10R1.28 c1ccnc(c1)S(=O)(=O)Cl TS02473 [0,1,0,0,0,0|2,0,1]=4 605 B10R1.28 c1ccnc(c1)S(=O)(=O)N TS87031 [0,1,0,0,0,0|2,0,1]=4 606 B10R1.28 c1ccnc(c1)S(=O)(=O)O TS59373 [0,1,0,0,0,0|2,0,0]=3 607 B10R1.28 c1cnccc1S(=O)(=O)Cl TS59377 [0,1,0,0,0,0|2,0,1]=4 608 B10R1.28 c1cnccc1S(=O)(=O)N TS89706 [0,1,0,0,0,0|2,0,1]=4 609 B10R1.28 c1cnccc1S(=O)(=O)O TS11115 [0,1,0,0,0,0|2,0,0]=3 610 B10R1.61 B(c1c(cccn1)C)(O)O TS70676 [0,1,0,0,0,0|2,0,1]=4 611 B10R1.61 B(c1ccccc1Br)(O)O TS00858 [0,1,0,0,0,0|1,0,1]=3 612 B10R1.61 B(c1ccccc1C)(O)O TS02443 [0,1,0,0,0,0|1,0,1]=3 613 B10R1.61 B(c1ccccc1Cl)(O)O TS00951 [0,1,0,0,0,0|1,0,1]=3 614 B10R1.61 B(c1ccccc1F)(O)O TS37322 [0,1,0,0,0,0|1,0,1]=3 615 B10R1.61 B(c1ccccc1I)(O)O TS27680 [0,1,0,0,0,0|1,0,1]=3 616 B10R1.61 B(c1ccccc1N)(O)O TS45687 [0,1,0,0,0,0|1,0,1]=3 617 B10R1.61 B(c1ccccc1N)(O)O TS94617 [0,1,0,0,0,0|1,0,1]=3 618 B10R1.61 B(c1ccccc1O)(O)O TS55396 [0,1,0,0,0,0|1,0,1]=3 619 B10R1.61 B(c1ccccc1S)(O)O TS94336 [0,1,0,0,0,0|1,0,1]=3 620 B10R1.61 B(c1cccnc1Cl)(O)O TS55212 [0,1,0,0,0,0|2,0,1]=4 621 B10R1.61 B(c1cccnc1F)(O)O TS94662 [0,1,0,0,0,0|2,0,1]=4 622 B10R1.61 B(c1ccncc1Br)(O)O TS09498 [0,1,0,0,0,0|2,0,1]=4 623 B10R1.61 B(c1ccncc1C)(O)O TS91427 [0,1,0,0,0,0|2,0,1]=4 624 B10R1.61 B(c1ccncc1Cl)(O)O TS41826 [0,1,0,0,0,0|2,0,1]=4 625 B10R1.61 B(c1ccncc1F)(O)O TS02770 [0,1,0,0,0,0|2,0,1]=4 626 B10R1.61 B(c1cnccc1C)(O)O TS46549 [0,1,0,0,0,0|2,0,1]=4 627 B10R1.61 B(c1cnccc1Cl)(O)O TS41827 [0,1,0,0,0,0|2,0,1]=4 628 B10R1.61 CC(=C)c1ccccc1N TS36780 [0,1,0,0,0,0|2,0,0]=3 629 B10R1.61 CC(=O)c1c(cccn1)Cl TS90062 [0,1,0,0,0,0|2,0,0]=3 630 B10R1.61 CC(=O)c1c(cccn1)F TS08247 [0,1,0,0,0,0|2,0,0]=3 631 B10R1.61 CC(=O)c1c(cccn1)N TS06066 [0,1,0,0,0,0|2,0,0]=3 632 B10R1.61 CC(=O)c1c(cccn1)O TS37090 [0,1,0,0,0,0|2,0,0]=3 633 B10R1.61 CC(=O)c1c(nccn1)Cl TS90872 [0,1,0,0,0,0|3,0,0]=4 634 B10R1.61 CC(=O)c1c(nccn1)N TS87446 [0,1,0,0,0,0|3,0,0]=4 635 B10R1.61 CC(=O)c1ccccc1Br TS54149 [0,1,0,0,0,0|1,0,0]=2 636 B10R1.61 CC(=O)c1ccccc1Cl TS39571 [0,1,0,0,0,0|1,0,0]=2 637 B10R1.61 CC(=O)c1ccccc1F TS37171 [0,1,0,0,0,0|1,0,0]=2 638 B10R1.61 CC(=O)c1ccccc1I TS62238 [0,1,0,0,0,0|1,0,0]=2 639 B10R1.61 CC(=O)c1ccccc1O TS01063 [0,1,0,0,0,0|1,0,0]=2 640 B10R1.61 CC(=O)c1cccnc1Br TS18940 [0,1,0,0,0,0|2,0,0]=3 641 B10R1.61 CC(=O)c1cccnc1Cl TS10617 [0,1,0,0,0,0|2,0,0]=3 642 B10R1.61 CC(=O)c1cccnc1F TS02616 [0,1,0,0,0,0|2,0,0]=3 643 B10R1.61 CC(=O)c1cccnc1N TS08276 [0,1,0,0,0,0|2,0,0]=3 644 B10R1.61 CC(=O)c1ccncc1Br TS18937 [0,1,0,0,0,0|2,0,0]=3 645 B10R1.61 CC(=O)c1ccncc1Br TS76034 [0,1,0,0,0,0|2,0,0]=3 646 B10R1.61 CC(=O)c1ccncc1F TS08156 [0,1,0,0,0,0|2,0,0]=3 647 B10R1.61 CC(=O)c1ccncc1N TS06058 [0,1,0,0,0,0|2,0,0]=3 648 B10R1.61 CC(=O)c1cnccc1F TS37273 [0,1,0,0,0,0|2,0,0]=3 649 B10R1.61 CC(C)c1ccccc1Br TS46918 [0,1,0,0,0,0|2,0,1]=4 650 B10R1.61 CC(C)c1ccccc1F TS06286 [0,1,0,0,0,0|2,0,1]=4 651 B10R1.61 CC(C)c1ccccc1I TS27403 [0,1,0,0,0,0|2,0,1]=4 652 B10R1.61 CC(C)c1ccccc1N TS06016 [0,1,0,0,0,0|2,0,1]=4 653 B10R1.61 CC(C)c1ccccc1O TS06094 [0,1,0,0,0,0|2,0,1]=4 654 B10R1.61 CC(C)c1ccccc1S TS41199 [0,1,0,0,0,0|2,0,1]=4 655 B10R1.61 CC(C)c1ccccc1[Zn+] TS60954 [0,1,0,0,0,0|2,0,1]=4 656 B10R1.61 CC(c1c(cccn1)F)O TS06577 [0,1,0,0,0,0|2,0,1]=4 657 B10R1.61 CC(c1ccccc1Br)O TS38045 [0,1,0,0,0,0|1,0,1]=3 658 B10R1.61 CC(c1ccccc1Cl)N TS10635 [0,1,0,0,0,0|2,0,1]=4 659 B10R1.61 CC(c1ccccc1Cl)O TS41730 [0,1,0,0,0,0|1,0,1]=3 660 B10R1.61 CC(c1ccccc1F)N TS37297 [0,1,0,0,0,0|2,0,1]=4 661 B10R1.61 CC(c1ccccc1F)O TS08150 [0,1,0,0,0,0|1,0,1]=3 662 B10R1.61 CC(c1cccnc1N)O TS37203 [0,1,0,0,0,0|2,0,1]=4 663 B10R1.61 CC1=CCC=CC1C(=O)O TS06256 [0,1,0,0,0,0|0,0,2]=3 664 B10R1.61 CN(C)c1ccccc1Br TS37850 [0,1,0,0,0,0|3,0,0]=4 665 B10R1.61 CN(C)c1ccccc1Cl TS10629 [0,1,0,0,0,0|3,0,0]=4 666 B10R1.61 CN(C)c1ccccc1F TS37299 [0,1,0,0,0,0|3,0,0]=4 667 B10R1.61 CS(=O)c1ccccc1O TS41630 [0,1,0,0,0,0|2,0,0]=3 668 B10R1.61 C[C@@H](c1ccccc1Br)O TS38041 [0,1,0,0,0,0|1,0,1]=3 669 B10R1.61 C[C@@H](c1ccccc1Cl)O TS41717 [0,1,0,0,0,0|1,0,1]=3 670 B10R1.61 C[C@@H](c1ccccc1F)N TS08101 [0,1,0,0,0,0|2,0,1]=4 671 B10R1.61 C[C@@H](c1ccccc1F)O TS06459 [0,1,0,0,0,0|1,0,1]=3 672 B10R1.61 C[C@H](c1ccccc1Cl)N TS51402 [0,1,0,0,0,0|2,0,1]=4 673 B10R1.61 C[C@H](c1ccccc1Cl)O TS10795 [0,1,0,0,0,0|1,0,1]=3 674 B10R1.61 C[C@H](c1ccccc1F)N TS08914 [0,1,0,0,0,0|2,0,1]=4 675 B10R1.61 C[C@H](c1ccccc1F)O TS37366 [0,1,0,0,0,0|1,0,1]=3 676 B10R1.61 Cc1c(cccn1)C(=O)O TS59977 [0,1,0,0,0,0|1,0,0]=2 677 B10R1.61 Cc1c(cccn1)C(=O)O TS89838 [0,1,0,0,0,0|1,0,0]=2 678 B10R1.61 Cc1c(cccn1)[N+](=O)[O-] TS01118 [0,1,0,0,0,0|2,0,1]=4 679 B10R1.61 Cc1c(cccn1)[N+](=O)[O-] TS86948 [0,1,0,0,0,0|2,0,1]=4 680 B10R1.61 Cc1c(ccnn1)C(=O)O TS88637 [0,1,0,0,0,0|2,0,0]=3 681 B10R1.61 Cc1c(nccn1)C(=O)C TS06062 [0,1,0,0,0,0|3,0,0]=4 682 B10R1.61 Cc1c(nccn1)C(=O)O TS70673 [0,1,0,0,0,0|2,0,0]=3 683 B10R1.61 Cc1ccccc1C(=C)C TS05768 [0,1,0,0,0,0|2,0,0]=3 684 B10R1.61 Cc1ccccc1C(=N)N TS12937 [0,1,0,0,0,0|2,0,0]=3 685 B10R1.61 Cc1ccccc1C(=O)C TS36852 [0,1,0,0,0,0|1,0,0]=2 686 B10R1.61 Cc1ccccc1C(=O)Cl TS60155 [0,1,0,0,0,0|1,0,0]=2 687 B10R1.61 Cc1ccccc1C(=O)N TS36917 [0,1,0,0,0,0|1,0,0]=2 688 B10R1.61 Cc1ccccc1C(=O)O TS01622 [0,1,0,0,0,0|0,0,0]=1 689 B10R1.61 Cc1ccccc1C(=S)N TS41052 [0,1,0,0,0,0|1,1,0]=3 690 B10R1.61 Cc1ccccc1C(C)N TS36951 [0,1,0,0,0,0|2,0,1]=4 691 B10R1.61 Cc1ccccc1C(C)O TS37021 [0,1,0,0,0,0|1,0,1]=3 692 B10R1.61 Cc1ccccc1N(C)C TS06004 [0,1,0,0,0,0|3,0,0]=4 693 B10R1.61 Cc1ccccc1[C@@H](C)N TS45398 [0,1,0,0,0,0|2,0,1]=4 694 B10R1.61 Cc1ccccc1[C@H](C)N TS45395 [0,1,0,0,0,0|2,0,1]=4 695 B10R1.61 Cc1ccccc1[N+](=O)[O-] TS37088 [0,1,0,0,0,0|1,0,1]=3 696 B10R1.61 Cc1cccnc1C(=O)O TS37085 [0,1,0,0,0,0|1,0,0]=2 697 B10R1.61 Cc1cccnc1C(=O)O TS60354 [0,1,0,0,0,0|1,0,0]=2 698 B10R1.61 Cc1cccnc1[N+](=O)[O-] TS70660 [0,1,0,0,0,0|2,0,1]=4 699 B10R1.61 Cc1ccncc1C(=O)O TS39766 [0,1,0,0,0,0|1,0,0]=2 700 B10R1.61 Cc1ccncc1C(=O)O TS71235 [0,1,0,0,0,0|1,0,0]=2 701 B10R1.61 Cc1ccncc1[N+](=O)[O-] TS71233 [0,1,0,0,0,0|2,0,1]=4 702 B10R1.61 Cc1ccnnc1C(=O)O TS87416 [0,1,0,0,0,0|2,0,0]=3 703 B10R1.61 Cc1cnccc1C(=O)N TS02849 [0,1,0,0,0,0|2,0,0]=3 704 B10R1.61 Cc1cnccc1C(=O)O TS06159 [0,1,0,0,0,0|1,0,0]=2 705 B10R1.61 Cc1cnccc1C(=O)O TS86033 [0,1,0,0,0,0|1,0,0]=2 706 B10R1.61 Cc1cnccc1[N+](=O)[O-] TS86937 [0,1,0,0,0,0|2,0,1]=4 707 B10R1.61 Cc1cnncc1C(=O)O TS87483 [0,1,0,0,0,0|2,0,0]=3 708 B10R1.61 c1c(c(cnn1)N)C(=O)O TS71384 [0,1,0,0,0,0|2,0,0]=3 709 B10R1.61 c1c(c(ncn1)C(=O)O)Br TS71448 [0,1,0,0,0,0|2,0,0]=3 710 B10R1.61 c1c(c(ncn1)C(=O)O)N TS71388 [0,1,0,0,0,0|2,0,0]=3 711 B10R1.61 c1c(c(ncn1)N)C(=O)O TS70923 [0,1,0,0,0,0|2,0,0]=3 712 B10R1.61 c1c(c(ncn1)O)C(=O)N TS37260 [0,1,0,0,0,0|3,0,0]=4 713 B10R1.61 c1cc(c(nc1)Br)C(=O)N TS19143 [0,1,0,0,0,0|2,0,0]=3 714 B10R1.61 c1cc(c(nc1)Br)C(=O)O TS00853 [0,1,0,0,0,0|1,0,0]=2 715 B10R1.61 c1cc(c(nc1)Br)[N+](=O)[O-] TS08312 [0,1,0,0,0,0|2,0,1]=4 716 B10R1.61 c1cc(c(nc1)C(=O)N)N TS59602 [0,1,0,0,0,0|2,0,0]=3 717 B10R1.61 c1cc(c(nc1)C(=O)N)O TS06240 [0,1,0,0,0,0|2,0,0]=3 718 B10R1.61 c1cc(c(nc1)C(=O)O)Br TS85444 [0,1,0,0,0,0|1,0,0]=2 719 B10R1.61 c1cc(c(nc1)C(=O)O)Cl TS66011 [0,1,0,0,0,0|1,0,0]=2 720 B10R1.61 c1cc(c(nc1)C(=O)O)F TS70603 [0,1,0,0,0,0|1,0,0]=2 721 B10R1.61 c1cc(c(nc1)C(=O)O)I TS27852 [0,1,0,0,0,0|1,0,0]=2 722 B10R1.61 c1cc(c(nc1)C(=O)O)N TS02640 [0,1,0,0,0,0|1,0,0]=2 723 B10R1.61 c1cc(c(nc1)C(=O)O)O TS02795 [0,1,0,0,0,0|1,0,0]=2 724 B10R1.61 c1cc(c(nc1)C(=O)O)S TS51373 [0,1,0,0,0,0|1,0,0]=2 725 B10R1.61 c1cc(c(nc1)Cl)C(=N)N TS10626 [0,1,0,0,0,0|3,0,0]=4 726 B10R1.61 c1cc(c(nc1)Cl)C(=O)Cl TS23000 [0,1,0,0,0,0|2,0,0]=3 727 B10R1.61 c1cc(c(nc1)Cl)C(=O)N TS00077 [0,1,0,0,0,0|2,0,0]=3 728 B10R1.61 c1cc(c(nc1)Cl)C(=O)O TS51738 [0,1,0,0,0,0|1,0,0]=2 729 B10R1.61 c1cc(c(nc1)Cl)C(=O)O TS55284 [0,1,0,0,0,0|1,0,0]=2 730 B10R1.61 c1cc(c(nc1)Cl)[N+](=O)[O-] TS55209 [0,1,0,0,0,0|2,0,1]=4 731 B10R1.61 c1cc(c(nc1)F)C(=O)O TS01039 [0,1,0,0,0,0|1,0,0]=2 732 B10R1.61 c1cc(c(nc1)F)[N+](=O)[O-] TS08407 [0,1,0,0,0,0|2,0,1]=4 733 B10R1.61 c1cc(c(nc1)N)C(=O)N TS06174 [0,1,0,0,0,0|2,0,0]=3 734 B10R1.61 c1cc(c(nc1)N)C(=O)O TS85373 [0,1,0,0,0,0|1,0,0]=2 735 B10R1.61 c1cc(c(nc1)N)C(=O)O TS90622 [0,1,0,0,0,0|1,0,0]=2 736 B10R1.61 c1cc(c(nc1)N)[N+](=O)[O-] TS00726 [0,1,0,0,0,0|2,0,1]=4 737 B10R1.61 c1cc(c(nc1)O)C(=O)O TS02008 [0,1,0,0,0,0|1,0,0]=2 738 B10R1.61 c1cc(c(nc1)O)[N+](=O)[O-] TS55387 [0,1,0,0,0,0|2,0,1]=4 739 B10R1.61 c1cc(c(nc1)S)C(=O)O TS41510 [0,1,0,0,0,0|1,0,0]=2 740 B10R1.61 c1cc(c(nc1)S)[N+](=O)[O-] TS02857 [0,1,0,0,0,0|2,0,1]=4 741 B10R1.61 c1cc(c(nc1)[N+](=O)[O-])Br TS65910 [0,1,0,0,0,0|2,0,1]=4 742 B10R1.61 c1cc(c(nc1)[N+](=O)[O-])Cl TS65981 [0,1,0,0,0,0|2,0,1]=4 743 B10R1.61 c1cc(c(nc1)[N+](=O)[O-])F TS70576 [0,1,0,0,0,0|2,0,1]=4 744 B10R1.61 c1cc(c(nc1)[N+](=O)[O-])I TS62779 [0,1,0,0,0,0|2,0,1]=4 745 B10R1.61 c1cc(c(nc1)[N+](=O)[O-])N TS09399 [0,1,0,0,0,0|2,0,1]=4 746 B10R1.61 c1cc(c(nc1)[N+](=O)[O-])O TS02788 [0,1,0,0,0,0|2,0,1]=4 747 B10R1.61 c1ccc(c(c1)C(=N)N)F TS01020 [0,1,0,0,0,0|2,0,0]=3 748 B10R1.61 c1ccc(c(c1)C(=O)Cl)Br TS55156 [0,1,0,0,0,0|1,0,0]=2 749 B10R1.61 c1ccc(c(c1)C(=O)Cl)Cl TS13613 [0,1,0,0,0,0|1,0,0]=2 750 B10R1.61 c1ccc(c(c1)C(=O)Cl)F TS11080 [0,1,0,0,0,0|1,0,0]=2 751 B10R1.61 c1ccc(c(c1)C(=O)Cl)I TS07725 [0,1,0,0,0,0|1,0,0]=2 752 B10R1.61 c1ccc(c(c1)C(=O)N)Br TS18931 [0,1,0,0,0,0|1,0,0]=2 753 B10R1.61 c1ccc(c(c1)C(=O)N)Cl TS41556 [0,1,0,0,0,0|1,0,0]=2 754 B10R1.61 c1ccc(c(c1)C(=O)N)F TS37265 [0,1,0,0,0,0|1,0,0]=2 755 B10R1.61 c1ccc(c(c1)C(=O)N)I TS62383 [0,1,0,0,0,0|1,0,0]=2 756 B10R1.61 c1ccc(c(c1)C(=O)N)N TS06064 [0,1,0,0,0,0|1,0,0]=2 757 B10R1.61 c1ccc(c(c1)C(=O)N)O TS37091 [0,1,0,0,0,0|1,0,0]=2 758 B10R1.61 c1ccc(c(c1)C(=O)O)Br TS55155 [0,1,0,0,0,0|0,0,0]=1 759 B10R1.61 c1ccc(c(c1)C(=O)O)Cl TS00073 [0,1,0,0,0,0|0,0,0]=1 760 B10R1.61 c1ccc(c(c1)C(=O)O)I TS01784 [0,1,0,0,0,0|0,0,0]=1 761 B10R1.61 c1ccc(c(c1)C(=O)O)N TS37101 [0,1,0,0,0,0|0,0,0]=1 762 B10R1.61 c1ccc(c(c1)C(=O)O)O TS06230 [0,1,0,0,0,0|0,0,0]=1 763 B10R1.61 c1ccc(c(c1)C(=O)O)O TS21137 [0,1,0,0,0,0|0,0,0]=1 764 B10R1.61 c1ccc(c(c1)C(=O)O)O TS35051 [0,1,0,0,0,0|0,0,0]=1 765 B10R1.61 c1ccc(c(c1)C(=O)O)S TS39677 [0,1,0,0,0,0|0,0,0]=1 766 B10R1.61 c1ccc(c(c1)C(=O)[O-])F TS11489 [0,1,0,0,0,0|0,0,1]=2 767 B10R1.61 c1ccc(c(c1)C(=O)[O-])N TS11099 [0,1,0,0,0,0|0,0,1]=2 768 B10R1.61 c1ccc(c(c1)C(=O)[O-])N TS58695 [0,1,0,0,0,0|0,0,1]=2 769 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS06906 [0,1,0,0,0,0|0,0,1]=2 770 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS41498 [0,1,0,0,0,0|0,0,1]=2 771 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS42111 [0,1,0,0,0,0|0,0,1]=2 772 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS46100 [0,1,0,0,0,0|0,0,1]=2 773 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS62094 [0,1,0,0,0,0|0,0,1]=2 774 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS66456 [0,1,0,0,0,0|0,0,1]=2 775 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS76682 [0,1,0,0,0,0|0,0,1]=2 776 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS80592 [0,1,0,0,0,0|0,0,1]=2 777 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS81548 [0,1,0,0,0,0|0,0,1]=2 778 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS82956 [0,1,0,0,0,0|0,0,1]=2 779 B10R1.61 c1ccc(c(c1)C(=O)[O-])S TS46069 [0,1,0,0,0,0|0,0,1]=2 780 B10R1.61 c1ccc(c(c1)C(=S)N)Br TS21981 [0,1,0,0,0,0|1,1,0]=3 781 B10R1.61 c1ccc(c(c1)C(=S)N)Cl TS45393 [0,1,0,0,0,0|1,1,0]=3 782 B10R1.61 c1ccc(c(c1)C(=S)N)F TS41513 [0,1,0,0,0,0|1,1,0]=3 783 B10R1.61 c1ccc(c(c1)C(=S)N)N TS41176 [0,1,0,0,0,0|1,1,0]=3 784 B10R1.61 c1ccc(c(c1)C(=S)N)O TS41285 [0,1,0,0,0,0|1,1,0]=3 785 B10R1.61 c1ccc(c(c1)C(Cl)Cl)F TS47662 [0,1,0,0,0,0|2,0,1]=4 786 B10R1.61 c1ccc(c(c1)C(F)F)Br TS59895 [0,1,0,0,0,0|2,0,1]=4 787 B10R1.61 c1ccc(c(c1)N)[N+](=O)[O-] TS37160 [0,1,0,0,0,0|1,0,1]=3 788 B10R1.61 c1ccc(c(c1)N)[N+](=O)[O-] TS45867 [0,1,0,0,0,0|1,0,1]=3 789 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])Br TS46919 [0,1,0,0,0,0|1,0,1]=3 790 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])Cl TS41833 [0,1,0,0,0,0|1,0,1]=3 791 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])F TS01030 [0,1,0,0,0,0|1,0,1]=3 792 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])I TS46971 [0,1,0,0,0,0|1,0,1]=3 793 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])O TS09395 [0,1,0,0,0,0|1,0,1]=3 794 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])O TS42253 [0,1,0,0,0,0|1,0,1]=3 795 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])S TS09401 [0,1,0,0,0,0|1,0,1]=3 796 B10R1.61 c1cnc(c(n1)C(=O)N)O TS60014 [0,1,0,0,0,0|3,0,0]=4 797 B10R1.61 c1cnc(c(n1)C(=O)O)Cl TS66008 [0,1,0,0,0,0|2,0,0]=3 798 B10R1.61 c1cnc(c(n1)C(=O)O)N TS37261 [0,1,0,0,0,0|2,0,0]=3 799 B10R1.61 c1cnc(c(n1)C(=O)O)O TS16634 [0,1,0,0,0,0|2,0,0]=3 800 B10R1.61 c1cncc(c1Br)C(=O)O TS70996 [0,1,0,0,0,0|1,0,0]=2 801 B10R1.61 c1cncc(c1Br)[N+](=O)[O-] TS70979 [0,1,0,0,0,0|2,0,1]=4 802 B10R1.61 c1cncc(c1C(=O)N)Br TS65950 [0,1,0,0,0,0|2,0,0]=3 803 B10R1.61 c1cncc(c1C(=O)O)Br TS75153 [0,1,0,0,0,0|1,0,0]=2 804 B10R1.61 c1cncc(c1C(=O)O)Br TS85456 [0,1,0,0,0,0|1,0,0]=2 805 B10R1.61 c1cncc(c1C(=O)O)Cl TS02717 [0,1,0,0,0,0|1,0,0]=2 806 B10R1.61 c1cncc(c1C(=O)O)F TS70583 [0,1,0,0,0,0|1,0,0]=2 807 B10R1.61 c1cncc(c1C(=O)O)I TS70630 [0,1,0,0,0,0|1,0,0]=2 808 B10R1.61 c1cncc(c1C(=O)O)N TS06238 [0,1,0,0,0,0|1,0,0]=2 809 B10R1.61 c1cncc(c1C(=O)O)N TS85384 [0,1,0,0,0,0|1,0,0]=2 810 B10R1.61 c1cncc(c1C(=O)O)N TS87274 [0,1,0,0,0,0|1,0,0]=2 811 B10R1.61 c1cncc(c1C(=O)O)O TS02801 [0,1,0,0,0,0|1,0,0]=2 812 B10R1.61 c1cncc(c1Cl)C(=O)O TS09676 [0,1,0,0,0,0|1,0,0]=2 813 B10R1.61 c1cncc(c1Cl)[N+](=O)[O-] TS09651 [0,1,0,0,0,0|2,0,1]=4 814 B10R1.61 c1cncc(c1Cl)[N+](=O)[O-] TS09652 [0,1,0,0,0,0|2,0,1]=4 815 B10R1.61 c1cncc(c1F)C(=O)O TS71139 [0,1,0,0,0,0|1,0,0]=2 816 B10R1.61 c1cncc(c1F)[N+](=O)[O-] TS60405 [0,1,0,0,0,0|2,0,1]=4 817 B10R1.61 c1cncc(c1N)C(=O)N TS70898 [0,1,0,0,0,0|2,0,0]=3 818 B10R1.61 c1cncc(c1N)C(=O)O TS37157 [0,1,0,0,0,0|1,0,0]=2 819 B10R1.61 c1cncc(c1N)C(=O)O TS85415 [0,1,0,0,0,0|1,0,0]=2 820 B10R1.61 c1cncc(c1N)[N+](=O)[O-] TS70897 [0,1,0,0,0,0|2,0,1]=4 821 B10R1.61 c1cncc(c1O)C(=O)O TS03130 [0,1,0,0,0,0|1,0,0]=2 822 B10R1.61 c1cncc(c1O)[N+](=O)[O-] TS86034 [0,1,0,0,0,0|2,0,1]=4 823 B10R1.61 c1cncc(c1[N+](=O)[O-])Br TS09463 [0,1,0,0,0,0|2,0,1]=4 824 B10R1.61 c1cncc(c1[N+](=O)[O-])Cl TS65989 [0,1,0,0,0,0|2,0,1]=4 825 B10R1.61 c1cncc(c1[N+](=O)[O-])F TS02766 [0,1,0,0,0,0|2,0,1]=4 826 B10R1.61 c1cncc(c1[N+](=O)[O-])I TS27980 [0,1,0,0,0,0|2,0,1]=4 827 B10R1.61 c1cncc(c1[N+](=O)[O-])N TS71262 [0,1,0,0,0,0|2,0,1]=4 828 B10R1.61 c1cncc(c1[N+](=O)[O-])O TS06414 [0,1,0,0,0,0|2,0,1]=4 829 B10R1.61 c1cnnc(c1C(=O)O)N TS02642 [0,1,0,0,0,0|2,0,0]=3 830 B10R1.61 c1cnnc(c1N)C(=O)O TS32795 [0,1,0,0,0,0|2,0,0]=3 831 B10R1.61 c1nc(c(nn1)N)C(=O)O TS06417 [0,1,0,0,0,0|3,0,0]=4 832 B10R1.113 B(c1cc(ccn1)C)(O)O TS03182 [0,1,0,0,0,0|2,0,1]=4 833 B10R1.113 B(c1cc(cnc1)Br)(O)O TS19297 [0,1,0,0,0,0|2,0,1]=4 834 B10R1.113 B(c1cc(cnc1)Cl)(O)O TS71523 [0,1,0,0,0,0|2,0,1]=4 835 B10R1.113 B(c1cc(cnc1)F)(O)O TS71550 [0,1,0,0,0,0|2,0,1]=4 836 B10R1.113 B(c1cc(cnc1)N)(O)O TS60330 [0,1,0,0,0,0|2,0,1]=4 837 B10R1.113 B(c1cccc(c1)Br)(O)O TS65961 [0,1,0,0,0,0|1,0,1]=3 838 B10R1.113 B(c1cccc(c1)C)(O)O TS70670 [0,1,0,0,0,0|1,0,1]=3 839 B10R1.113 B(c1cccc(c1)Cl)(O)O TS02723 [0,1,0,0,0,0|1,0,1]=3 840 B10R1.113 B(c1cccc(c1)I)(O)O TS93559 [0,1,0,0,0,0|1,0,1]=3 841 B10R1.113 B(c1cccc(c1)N)(O)O TS85488 [0,1,0,0,0,0|1,0,1]=3 842 B10R1.113 B(c1cccc(c1)N)(O)O TS94599 [0,1,0,0,0,0|1,0,1]=3 843 B10R1.113 B(c1cccc(c1)N)(O)O TS94634 [0,1,0,0,0,0|1,0,1]=3 844 B10R1.113 B(c1cccc(c1)N)(O)O TS94676 [0,1,0,0,0,0|1,0,1]=3 845 B10R1.113 B(c1cccc(c1)O)(O)O TS02793 [0,1,0,0,0,0|1,0,1]=3 846 B10R1.113 B(c1cccc(c1)S)(O)O TS41329 [0,1,0,0,0,0|1,0,1]=3 847 B10R1.113 B(c1cccc(n1)Br)(O)O TS22920 [0,1,0,0,0,0|2,0,1]=4 848 B10R1.113 B(c1cccc(n1)C)(O)O TS01271 [0,1,0,0,0,0|2,0,1]=4 849 B10R1.113 B(c1cccc(n1)Cl)(O)O TS41825 [0,1,0,0,0,0|2,0,1]=4 850 B10R1.113 B(c1cccc(n1)F)(O)O TS01233 [0,1,0,0,0,0|2,0,1]=4 851 B10R1.113 B(c1ccnc(c1)C)(O)O TS02447 [0,1,0,0,0,0|2,0,1]=4 852 B10R1.113 B(c1ccnc(c1)C)(O)O TS45686 [0,1,0,0,0,0|2,0,1]=4 853 B10R1.113 B(c1ccnc(c1)Cl)(O)O TS00895 [0,1,0,0,0,0|2,0,1]=4 854 B10R1.113 B(c1ccnc(c1)F)(O)O TS01038 [0,1,0,0,0,0|2,0,1]=4 855 B10R1.113 CC(=O)c1cc(cnc1)Br TS08180 [0,1,0,0,0,0|2,0,0]=3 856 B10R1.113 CC(=O)c1cc(cnc1)F TS37264 [0,1,0,0,0,0|2,0,0]=3 857 B10R1.113 CC(=O)c1ccc[n+](c1)[O-] TS06167 [0,1,0,0,0,0|2,0,0]=3 858 B10R1.113 CC(=O)c1cccc(c1)Br TS09476 [0,1,0,0,0,0|1,0,0]=2 859 B10R1.113 CC(=O)c1cccc(c1)Cl TS41457 [0,1,0,0,0,0|1,0,0]=2 860 B10R1.113 CC(=O)c1cccc(c1)F TS39433 [0,1,0,0,0,0|1,0,0]=2 861 B10R1.113 CC(=O)c1cccc(c1)I TS02811 [0,1,0,0,0,0|1,0,0]=2 862 B10R1.113 CC(=O)c1cccc(c1)N TS36932 [0,1,0,0,0,0|1,0,0]=2 863 B10R1.113 CC(=O)c1cccc(c1)O TS70618 [0,1,0,0,0,0|1,0,0]=2 864 B10R1.113 CC(=O)c1cccc(n1)Br TS08250 [0,1,0,0,0,0|2,0,0]=3 865 B10R1.113 CC(=O)c1cccc(n1)Cl TS46739 [0,1,0,0,0,0|2,0,0]=3 866 B10R1.113 CC(=O)c1ccnc(c1)Cl TS08148 [0,1,0,0,0,0|2,0,0]=3 867 B10R1.113 CC(=O)c1ccnc(n1)N TS06171 [0,1,0,0,0,0|3,0,0]=4 868 B10R1.113 CC(C)c1cccc(c1)Br TS54165 [0,1,0,0,0,0|2,0,1]=4 869 B10R1.113 CC(C)c1cccc(c1)N TS36962 [0,1,0,0,0,0|2,0,1]=4 870 B10R1.113 CC(C)c1cccc(c1)O TS06076 [0,1,0,0,0,0|2,0,1]=4 871 B10R1.113 CC(c1cccc(c1)Br)N TS37847 [0,1,0,0,0,0|2,0,1]=4 872 B10R1.113 CC(c1cccc(c1)Br)O TS38052 [0,1,0,0,0,0|1,0,1]=3 873 B10R1.113 CC(c1cccc(c1)Cl)O TS41713 [0,1,0,0,0,0|1,0,1]=3 874 B10R1.113 CC(c1cccc(c1)F)N TS37298 [0,1,0,0,0,0|2,0,1]=4 875 B10R1.113 CC(c1cccc(c1)F)O TS37373 [0,1,0,0,0,0|1,0,1]=3 876 B10R1.113 CC(c1cccc(c1)N)N TS37034 [0,1,0,0,0,0|2,0,1]=4 877 B10R1.113 CC(c1cccc(c1)N)O TS37125 [0,1,0,0,0,0|1,0,1]=3 878 B10R1.113 CN(C)c1cccc(c1)Br TS37848 [0,1,0,0,0,0|3,0,0]=4 879 B10R1.113 CN(C)c1cccc(c1)Cl TS10632 [0,1,0,0,0,0|3,0,0]=4 880 B10R1.113 CN(C)c1cccc(c1)N TS20698 [0,1,0,0,0,0|3,0,0]=4 881 B10R1.113 CN(C)c1cccc(c1)O TS06190 [0,1,0,0,0,0|3,0,0]=4 882 B10R1.113 CN(C)c1cccc(c1)S TS10347 [0,1,0,0,0,0|3,0,0]=4 883 B10R1.113 CN1CC(=CC=C1)C(=O)N TS68775 [0,1,0,0,0,0|2,0,1]=4 884 B10R1.113 C[C@@H](c1cccc(c1)Br)O TS38053 [0,1,0,0,0,0|1,0,1]=3 885 B10R1.113 C[C@@H](c1cccc(c1)Cl)N TS08102 [0,1,0,0,0,0|2,0,1]=4 886 B10R1.113 C[C@@H](c1cccc(c1)F)N TS08103 [0,1,0,0,0,0|2,0,1]=4 887 B10R1.113 C[C@@H](c1cccc(c1)F)N TS13761 [0,1,0,0,0,0|2,0,1]=4 888 B10R1.113 C[C@H](c1cccc(c1)Br)O TS38040 [0,1,0,0,0,0|1,0,1]=3 889 B10R1.113 C[C@H](c1cccc(c1)Cl)N TS46592 [0,1,0,0,0,0|2,0,1]=4 890 B10R1.113 C[C@H](c1cccc(c1)F)N TS46593 [0,1,0,0,0,0|2,0,1]=4 891 B10R1.113 C[C@H](c1cccc(c1)N)N TS06099 [0,1,0,0,0,0|2,0,1]=4 892 B10R1.113 C[n+]1cccc(c1)C(=O)N TS45572 [0,1,0,0,0,0|2,0,0]=3 893 B10R1.113 Cc1cc(ccn1)C(=O)C TS01801 [0,1,0,0,0,0|2,0,0]=3 894 B10R1.113 Cc1cc(ccn1)C(=O)O TS37098 [0,1,0,0,0,0|1,0,0]=2 895 B10R1.113 Cc1cc(ccn1)[N+](=O)[O-] TS55417 [0,1,0,0,0,0|2,0,1]=4 896 B10R1.113 Cc1cc(cnc1)C(=O)N TS06051 [0,1,0,0,0,0|2,0,0]=3 897 B10R1.113 Cc1cc(cnc1)C(=O)O TS01159 [0,1,0,0,0,0|1,0,0]=2 898 B10R1.113 Cc1cc(cnc1)C(=O)O TS13412 [0,1,0,0,0,0|1,0,0]=2 899 B10R1.113 Cc1cc(cnc1)[N+](=O)[O-] TS02835 [0,1,0,0,0,0|2,0,1]=4 900 B10R1.113 Cc1cc(ncn1)C(=O)O TS88119 [0,1,0,0,0,0|2,0,0]=3 901 B10R1.113 Cc1cccc(c1)C(=N)N TS12936 [0,1,0,0,0,0|2,0,0]=3 902 B10R1.113 Cc1cccc(c1)C(=O)C TS01793 [0,1,0,0,0,0|1,0,0]=2 903 B10R1.113 Cc1cccc(c1)C(=O)Cl TS60022 [0,1,0,0,0,0|1,0,0]=2 904 B10R1.113 Cc1cccc(c1)C(=O)N TS36933 [0,1,0,0,0,0|1,0,0]=2 905 B10R1.113 Cc1cccc(c1)C(=O)O TS36985 [0,1,0,0,0,0|0,0,0]=1 906 B10R1.113 Cc1cccc(c1)C(=S)N TS41054 [0,1,0,0,0,0|1,1,0]=3 907 B10R1.113 Cc1cccc(c1)C(C)O TS37016 [0,1,0,0,0,0|1,0,1]=3 908 B10R1.113 Cc1cccc(c1)N(C)C TS36944 [0,1,0,0,0,0|3,0,0]=4 909 B10R1.113 Cc1cccc(c1)N(C)N TS37033 [0,1,0,0,0,0|3,0,0]=4 910 B10R1.113 Cc1cccc(c1)[C@@H](C)N TS45396 [0,1,0,0,0,0|2,0,1]=4 911 B10R1.113 Cc1cccc(c1)[C@H](C)N TS45397 [0,1,0,0,0,0|2,0,1]=4 912 B10R1.113 Cc1cccc(c1)[N+](=O)[O-] TS37092 [0,1,0,0,0,0|1,0,1]=3 913 B10R1.113 Cc1cccc(n1)C(=O)C TS08253 [0,1,0,0,0,0|2,0,0]=3 914 B10R1.113 Cc1cccc(n1)[N+](=O)[O-] TS55467 [0,1,0,0,0,0|2,0,1]=4 915 B10R1.113 Cc1ccnc(c1)C(=O)C TS32774 [0,1,0,0,0,0|2,0,0]=3 916 B10R1.113 Cc1ccnc(c1)C(=O)O TS37096 [0,1,0,0,0,0|1,0,0]=2 917 B10R1.113 Cc1ccnc(c1)[N+](=O)[O-] TS71230 [0,1,0,0,0,0|2,0,1]=4 918 B10R1.113 Cc1ccnc(n1)C(=O)O TS90875 [0,1,0,0,0,0|2,0,0]=3 919 B10R1.113 Cc1nccc(n1)C(=O)O TS02451 [0,1,0,0,0,0|2,0,0]=3 920 B10R1.113 c1c(cn[nH]c1=O)C(=O)O TS06410 [0,1,0,0,0,0|2,0,0]=3 921 B10R1.113 c1c(cncc1Br)C(=O)Cl TS49867 [0,1,0,0,0,0|2,0,0]=3 922 B10R1.113 c1c(cncc1Br)C(=O)N TS60080 [0,1,0,0,0,0|2,0,0]=3 923 B10R1.113 c1c(cncc1Br)C(=O)O TS09808 [0,1,0,0,0,0|1,0,0]=2 924 B10R1.113 c1c(cncc1Br)[N+](=O)[O-] TS65940 [0,1,0,0,0,0|2,0,1]=4 925 B10R1.113 c1c(cncc1Cl)C(=O)O TS03271 [0,1,0,0,0,0|1,0,0]=2 926 B10R1.113 c1c(cncc1Cl)[N+](=O)[O-] TS02699 [0,1,0,0,0,0|2,0,1]=4 927 B10R1.113 c1c(cncc1F)C(=O)O TS03323 [0,1,0,0,0,0|1,0,0]=2 928 B10R1.113 c1c(cncc1N)C(=O)N TS03231 [0,1,0,0,0,0|2,0,0]=3 929 B10R1.113 c1c(cncc1N)C(=O)O TS71381 [0,1,0,0,0,0|1,0,0]=2 930 B10R1.113 c1c(cncc1O)C(=O)O TS30275 [0,1,0,0,0,0|1,0,0]=2 931 B10R1.113 c1c(cncc1O)C(=O)O TS85371 [0,1,0,0,0,0|1,0,0]=2 932 B10R1.113 c1c(cncc1O)[N+](=O)[O-] TS06415 [0,1,0,0,0,0|2,0,1]=4 933 B10R1.113 c1c(cncc1[N+](=O)[O-])N TS01168 [0,1,0,0,0,0|2,0,1]=4 934 B10R1.113 c1c(cnnc1Cl)C(=O)O TS90511 [0,1,0,0,0,0|2,0,0]=3 935 B10R1.113 c1c(nc(cn1)Cl)C(=O)O TS55584 [0,1,0,0,0,0|2,0,0]=3 936 B10R1.113 c1c(ncnc1O)C(=O)O TS01241 [0,1,0,0,0,0|2,0,0]=3 937 B10R1.113 c1cc(c[n+](c1)[O-])C(=S)N TS41392 [0,1,0,0,0,0|2,1,0]=4 938 B10R1.113 c1cc(cc(c1)Br)C(=N)N TS09478 [0,1,0,0,0,0|2,0,0]=3 939 B10R1.113 c1cc(cc(c1)Br)C(=N)N TS54155 [0,1,0,0,0,0|2,0,0]=3 940 B10R1.113 c1cc(cc(c1)Br)C(=O)Cl TS56222 [0,1,0,0,0,0|1,0,0]=2 941 B10R1.113 c1cc(cc(c1)Br)C(=O)N TS18933 [0,1,0,0,0,0|1,0,0]=2 942 B10R1.113 c1cc(cc(c1)Br)C(=O)O TS19140 [0,1,0,0,0,0|0,0,0]=1 943 B10R1.113 c1cc(cc(c1)Br)C(=S)N TS21980 [0,1,0,0,0,0|1,1,0]=3 944 B10R1.113 c1cc(cc(c1)Br)C(F)F TS59897 [0,1,0,0,0,0|2,0,1]=4 945 B10R1.113 c1cc(cc(c1)Br)[N+](=O)[O-] TS16330 [0,1,0,0,0,0|1,0,1]=3 946 B10R1.113 c1cc(cc(c1)Cl)C(=N)N TS41463 [0,1,0,0,0,0|2,0,0]=3 947 B10R1.113 c1cc(cc(c1)Cl)C(=N)N TS51244 [0,1,0,0,0,0|2,0,0]=3 948 B10R1.113 c1cc(cc(c1)Cl)C(=O)Cl TS13612 [0,1,0,0,0,0|1,0,0]=2 949 B10R1.113 c1cc(cc(c1)Cl)C(=O)N TS10611 [0,1,0,0,0,0|1,0,0]=2 950 B10R1.113 c1cc(cc(c1)Cl)C(=O)O TS02028 [0,1,0,0,0,0|0,0,0]=1 951 B10R1.113 c1cc(cc(c1)Cl)C(=S)N TS45392 [0,1,0,0,0,0|1,1,0]=3 952 B10R1.113 c1cc(cc(c1)Cl)C(Br)Br TS34768 [0,1,0,0,0,0|2,0,1]=4 953 B10R1.113 c1cc(cc(c1)Cl)C(Cl)Cl TS52076 [0,1,0,0,0,0|2,0,1]=4 954 B10R1.113 c1cc(cc(c1)Cl)[N+](=O)[O-] TS41831 [0,1,0,0,0,0|1,0,1]=3 955 B10R1.113 c1cc(cc(c1)F)C(=N)N TS13606 [0,1,0,0,0,0|2,0,0]=3 956 B10R1.113 c1cc(cc(c1)F)C(=N)N TS37176 [0,1,0,0,0,0|2,0,0]=3 957 B10R1.113 c1cc(cc(c1)F)C(=O)Cl TS11079 [0,1,0,0,0,0|1,0,0]=2 958 B10R1.113 c1cc(cc(c1)F)C(=O)N TS37271 [0,1,0,0,0,0|1,0,0]=2 959 B10R1.113 c1cc(cc(c1)F)C(=O)O TS06420 [0,1,0,0,0,0|0,0,0]=1 960 B10R1.113 c1cc(cc(c1)F)C(=O)[O-] TS11490 [0,1,0,0,0,0|0,0,1]=2 961 B10R1.113 c1cc(cc(c1)F)C(=S)N TS41514 [0,1,0,0,0,0|1,1,0]=3 962 B10R1.113 c1cc(cc(c1)F)C(Br)Br TS30471 [0,1,0,0,0,0|2,0,1]=4 963 B10R1.113 c1cc(cc(c1)F)C(Cl)Cl TS47665 [0,1,0,0,0,0|2,0,1]=4 964 B10R1.113 c1cc(cc(c1)I)C(=O)Cl TS39446 [0,1,0,0,0,0|1,0,0]=2 965 B10R1.113 c1cc(cc(c1)I)C(=O)N TS62384 [0,1,0,0,0,0|1,0,0]=2 966 B10R1.113 c1cc(cc(c1)I)C(=O)O TS70626 [0,1,0,0,0,0|0,0,0]=1 967 B10R1.113 c1cc(cc(c1)I)C(=S)N TS29885 [0,1,0,0,0,0|1,1,0]=3 968 B10R1.113 c1cc(cc(c1)I)[N+](=O)[O-] TS27853 [0,1,0,0,0,0|1,0,1]=3 969 B10R1.113 c1cc(cc(c1)N)C(=N)N TS20481 [0,1,0,0,0,0|2,0,0]=3 970 B10R1.113 c1cc(cc(c1)N)C(=O)N TS60003 [0,1,0,0,0,0|1,0,0]=2 971 B10R1.113 c1cc(cc(c1)N)C(=O)O TS13414 [0,1,0,0,0,0|0,0,0]=1 972 B10R1.113 c1cc(cc(c1)N)C(=O)O TS37103 [0,1,0,0,0,0|0,0,0]=1 973 B10R1.113 c1cc(cc(c1)N)C(=O)[O-] TS11098 [0,1,0,0,0,0|0,0,1]=2 974 B10R1.113 c1cc(cc(c1)N)C(=S)N TS41179 [0,1,0,0,0,0|1,1,0]=3 975 B10R1.113 c1cc(cc(c1)O)C(=O)N TS70620 [0,1,0,0,0,0|1,0,0]=2 976 B10R1.113 c1cc(cc(c1)O)C(=O)O TS06229 [0,1,0,0,0,0|0,0,0]=1 977 B10R1.113 c1cc(cc(c1)O)C(=O)[O-] TS42112 [0,1,0,0,0,0|0,0,1]=2 978 B10R1.113 c1cc(cc(c1)O)C(=S)N TS10338 [0,1,0,0,0,0|1,1,0]=3 979 B10R1.113 c1cc(cc(c1)O)[N+](=O)[O-] TS01569 [0,1,0,0,0,0|1,0,1]=3 980 B10R1.113 c1cc(cc(c1)S)C(=O)O TS41386 [0,1,0,0,0,0|0,0,0]=1 981 B10R1.113 c1cc(cc(c1)[N+](=O)[O-])N TS02863 [0,1,0,0,0,0|1,0,1]=3 982 B10R1.113 c1cc(cn(=O)c1)C(=O)N TS37161 [0,1,0,0,0,0|2,0,0]=3 983 B10R1.113 c1cc(cn(=O)c1)C(=O)O TS06349 [0,1,0,0,0,0|1,0,0]=2 984 B10R1.113 c1cc(nc(c1)Br)C(=N)N TS25961 [0,1,0,0,0,0|3,0,0]=4 985 B10R1.113 c1cc(nc(c1)Br)C(=O)N TS19141 [0,1,0,0,0,0|2,0,0]=3 986 B10R1.113 c1cc(nc(c1)Br)C(=O)O TS16477 [0,1,0,0,0,0|1,0,0]=2 987 B10R1.113 c1cc(nc(c1)Br)[N+](=O)[O-] TS08375 [0,1,0,0,0,0|2,0,1]=4 988 B10R1.113 c1cc(nc(c1)Cl)C(=O)O TS55587 [0,1,0,0,0,0|1,0,0]=2 989 B10R1.113 c1cc(nc(c1)Cl)[N+](=O)[O-] TS00941 [0,1,0,0,0,0|2,0,1]=4 990 B10R1.113 c1cc(nc(c1)F)C(=O)O TS01235 [0,1,0,0,0,0|1,0,0]=2 991 B10R1.113 c1cc(nc(c1)I)C(=O)N TS62507 [0,1,0,0,0,0|2,0,0]=3 992 B10R1.113 c1cc(nc(c1)I)C(=O)O TS27851 [0,1,0,0,0,0|1,0,0]=2 993 B10R1.113 c1cc(nc(c1)N)C(=O)O TS01213 [0,1,0,0,0,0|1,0,0]=2 994 B10R1.113 c1cc(nc(c1)O)C(=O)O TS01240 [0,1,0,0,0,0|1,0,0]=2 995 B10R1.113 c1cc(nc(c1)[N+](=O)[O-])N TS55629 [0,1,0,0,0,0|2,0,1]=4 996 B10R1.113 c1cc(oc(=O)c1)C(=O)O TS06409 [0,1,0,0,0,0|1,0,0]=2 997 B10R1.113 c1cnc(=O)[nH]c1C(=O)O TS06412 [0,1,0,0,0,0|2,0,0]=3 998 B10R1.113 c1cnc(cc1Br)C(=O)N TS19142 [0,1,0,0,0,0|2,0,0]=3 999 B10R1.113 c1cnc(cc1Br)C(=O)O TS09612 [0,1,0,0,0,0|1,0,0]=2 1000 B10R1.113 c1cnc(cc1C(=O)Cl)Cl TS46031 [0,1,0,0,0,0|2,0,0]=3 1001 B10R1.113 c1cnc(cc1C(=O)N)Br TS00863 [0,1,0,0,0,0|2,0,0]=3 1002 B10R1.113 c1cnc(cc1C(=O)N)Cl TS07940 [0,1,0,0,0,0|2,0,0]=3 1003 B10R1.113 c1cnc(cc1C(=O)N)N TS06173 [0,1,0,0,0,0|2,0,0]=3 1004 B10R1.113 c1cnc(cc1C(=O)O)Br TS55109 [0,1,0,0,0,0|1,0,0]=2 1005 B10R1.113 c1cnc(cc1C(=O)O)Cl TS85374 [0,1,0,0,0,0|1,0,0]=2 1006 B10R1.113 c1cnc(cc1C(=O)O)F TS01028 [0,1,0,0,0,0|1,0,0]=2 1007 B10R1.113 c1cnc(cc1C(=O)O)I TS07726 [0,1,0,0,0,0|1,0,0]=2 1008 B10R1.113 c1cnc(cc1C(=O)O)N TS47473 [0,1,0,0,0,0|1,0,0]=2 1009 B10R1.113 c1cnc(cc1C(=O)O)O TS06352 [0,1,0,0,0,0|1,0,0]=2 1010 B10R1.113 c1cnc(cc1Cl)C(=O)Cl TS09691 [0,1,0,0,0,0|2,0,0]=3 1011 B10R1.113 c1cnc(cc1Cl)C(=O)N TS09686 [0,1,0,0,0,0|2,0,0]=3 1012 B10R1.113 c1cnc(cc1Cl)C(=O)O TS09687 [0,1,0,0,0,0|1,0,0]=2 1013 B10R1.113 c1cnc(cc1Cl)[N+](=O)[O-] TS71027 [0,1,0,0,0,0|2,0,1]=4 1014 B10R1.113 c1cnc(cc1F)C(=O)O TS09128 [0,1,0,0,0,0|1,0,0]=2 1015 B10R1.113 c1cnc(cc1F)[N+](=O)[O-] TS06644 [0,1,0,0,0,0|2,0,1]=4 1016 B10R1.113 c1cnc(cc1I)C(=O)O TS88205 [0,1,0,0,0,0|1,0,0]=2 1017 B10R1.113 c1cnc(cc1N)C(=O)O TS88808 [0,1,0,0,0,0|1,0,0]=2 1018 B10R1.113 c1cnc(cc1N)[N+](=O)[O-] TS02969 [0,1,0,0,0,0|2,0,1]=4 1019 B10R1.113 c1cnc(cc1O)C(=O)O TS03133 [0,1,0,0,0,0|1,0,0]=2 1020 B10R1.113 c1cnc(cc1O)[N+](=O)[O-] TS06411 [0,1,0,0,0,0|2,0,1]=4 1021 B10R1.113 c1cnc(cc1[N+](=O)[O-])Br TS55108 [0,1,0,0,0,0|2,0,1]=4 1022 B10R1.113 c1cnc(cc1[N+](=O)[O-])Cl TS00893 [0,1,0,0,0,0|2,0,1]=4 1023 B10R1.113 c1cnc(cc1[N+](=O)[O-])F TS94879 [0,1,0,0,0,0|2,0,1]=4 1024 B10R1.113 c1cnc(cc1[N+](=O)[O-])N TS71261 [0,1,0,0,0,0|2,0,1]=4 1025 B10R1.113 c1cnc(cc1[N+](=O)[O-])O TS06413 [0,1,0,0,0,0|2,0,1]=4 1026 B10R1.113 c1cnc(nc1C(=O)N)Cl TS88415 [0,1,0,0,0,0|3,0,0]=4 1027 B10R1.113 c1cnc(nc1C(=O)O)Cl TS00961 [0,1,0,0,0,0|2,0,0]=3 1028 B10R1.113 c1coc(cc1=O)C(=O)O TS37334 [0,1,0,0,0,0|1,0,0]=2 1029 B8R0.7 C(=CSC=NN)C(=O)O TS62002 [0,0,1,0,0,0|3,0,0]=4 1030 B10R2.6 c1ccc(cc1)C2CC2 TS32348 [0,0,0,1,0,0|2,0,1]=4 1031 B10R2.6 c1ccc(cc1)C2CO2 TS04809 [0,0,0,1,0,0|1,0,1]=3 1032 B10R2.6 c1ccc(cc1)[C@@H]2CO2 TS59486 [0,0,0,1,0,0|1,0,1]=3 1033 B10R2.6 c1ccc(cc1)[C@H]2CO2 TS59491 [0,0,0,1,0,0|1,0,1]=3 1034 B10R2.320 c1ccc2c(c1)CC2=O TS55758 [0,0,0,1,0,0|1,0,0]=2 1035 B10R2.320 c1ccc2c(c1)CC2Br TS48022 [0,0,0,1,0,0|2,0,1]=4 1036 B8R1.7 B([c-]1cccc1)(O)O TS52913 [0,0,0,0,1,0|1,0,2]=4 1037 B8R1.7 B(c1cc[nH]c1)(O)O TS22892 [0,0,0,0,1,0|2,0,1]=4 1038 B8R1.7 B(c1ccc[nH]1)(O)O TS07976 [0,0,0,0,1,0|2,0,1]=4 1039 B8R1.7 B(c1ccc[se]1)(O)O TS45885 [0,0,0,0,1,0|2,0,1]=4 1040 B8R1.7 B(c1ccco1)(O)O TS94317 [0,0,0,0,1,0|2,0,1]=4 1041 B8R1.7 B(c1ccoc1)(O)O TS04260 [0,0,0,0,1,0|2,0,1]=4 1042 B8R1.7 B(c1ccsc1)(O)O TS87621 [0,0,0,0,1,0|2,0,1]=4 1043 B8R1.7 C1C(=NC=N1)C(=O)O TS04278 [0,0,0,0,1,0|2,0,1]=4 1044 B8R1.7 C1C=CC(N1)C(=O)O TS39629 [0,0,0,0,1,0|1,0,2]=4 1045 B8R1.7 C1C=CC(O1)C(=O)O TS32038 [0,0,0,0,1,0|1,0,2]=4 1046 B8R1.7 C1C=CCC1C(=O)O TS16735 [0,0,0,0,1,0|0,0,3]=4 1047 B8R1.7 C1CC=C(C1)C(=O)O TS60207 [0,0,0,0,1,0|0,0,3]=4 1048 B8R1.7 C1COC=C1C(=O)O TS32035 [0,0,0,0,1,0|1,0,2]=4 1049 B8R1.7 CC(=O)[c-]1cccc1 TS30755 [0,0,0,0,1,0|1,0,1]=3 1050 B8R1.7 CC(=O)c1[nH]ccn1 TS31817 [0,0,0,0,1,0|3,0,0]=4 1051 B8R1.7 CC(=O)c1c[nH]cn1 TS02951 [0,0,0,0,1,0|3,0,0]=4 1052 B8R1.7 CC(=O)c1cc[nH]c1 TS65832 [0,0,0,0,1,0|2,0,0]=3 1053 B8R1.7 CC(=O)c1ccc[nH]1 TS31792 [0,0,0,0,1,0|2,0,0]=3 1054 B8R1.7 CC(=O)c1ccco1 TS04188 [0,0,0,0,1,0|2,0,0]=3 1055 B8R1.7 CC(=O)c1cccs1 TS08262 [0,0,0,0,1,0|2,0,0]=3 1056 B8R1.7 CC(=O)c1ccn[nH]1 TS07280 [0,0,0,0,1,0|3,0,0]=4 1057 B8R1.7 CC(=O)c1ccns1 TS05261 [0,0,0,0,1,0|3,0,0]=4 1058 B8R1.7 CC(=O)c1ccsc1 TS65833 [0,0,0,0,1,0|2,0,0]=3 1059 B8R1.7 CC(=O)c1cncs1 TS46736 [0,0,0,0,1,0|3,0,0]=4 1060 B8R1.7 CC(=O)c1nccs1 TS08261 [0,0,0,0,1,0|3,0,0]=4 1061 B8R1.7 CC(=O)n1cccn1 TS04194 [0,0,0,0,1,0|3,0,0]=4 1062 B8R1.7 CC(=O)n1ccnc1 TS93594 [0,0,0,0,1,0|3,0,0]=4 1063 B8R1.7 CC(c1ccco1)O TS31898 [0,0,0,0,1,0|2,0,1]=4 1064 B8R1.7 C[C@@H](c1cccs1)O TS05368 [0,0,0,0,1,0|2,0,1]=4 1065 B8R1.7 C[C@H](c1ccco1)O TS31904 [0,0,0,0,1,0|2,0,1]=4 1066 B8R1.7 C[C@H](c1cccs1)O TS08060 [0,0,0,0,1,0|2,0,1]=4 1067 B8R1.7 c1[nH]nc(n1)C(=O)O TS46767 [0,0,0,0,1,0|3,0,0]=4 1068 B8R1.7 c1c(cn[nH]1)C(=O)O TS00455 [0,0,0,0,1,0|2,0,0]=3 1069 B8R1.7 c1c(con1)C(=O)O TS56204 [0,0,0,0,1,0|2,0,0]=3 1070 B8R1.7 c1c(nc[nH]1)C(=O)N TS93616 [0,0,0,0,1,0|3,0,0]=4 1071 B8R1.7 c1c(nc[nH]1)C(=O)O TS46950 [0,0,0,0,1,0|2,0,0]=3 1072 B8R1.7 c1c(nco1)C(=O)O TS00378 [0,0,0,0,1,0|2,0,0]=3 1073 B8R1.7 c1c(ncs1)C(=O)N TS01722 [0,0,0,0,1,0|3,0,0]=4 1074 B8R1.7 c1c(nn[nH]1)C(=O)O TS32000 [0,0,0,0,1,0|3,0,0]=4 1075 B8R1.7 c1c(nns1)C(=O)O TS59879 [0,0,0,0,1,0|3,0,0]=4 1076 B8R1.7 c1c(non1)C(=O)O TS59880 [0,0,0,0,1,0|3,0,0]=4 1077 B8R1.7 c1c(nsn1)C(=O)O TS46770 [0,0,0,0,1,0|3,0,0]=4 1078 B8R1.7 c1c(ocn1)C(=O)N TS04275 [0,0,0,0,1,0|3,0,0]=4 1079 B8R1.7 c1c(ocn1)C(=O)O TS01173 [0,0,0,0,1,0|2,0,0]=3 1080 B8R1.7 c1c[nH]cc1[N+](=O)[O-] TS04276 [0,0,0,0,1,0|2,0,1]=4 1081 B8R1.7 c1c[nH]nc1C(=O)N TS00453 [0,0,0,0,1,0|3,0,0]=4 1082 B8R1.7 c1c[nH]nc1C(=O)O TS87268 [0,0,0,0,1,0|2,0,0]=3 1083 B8R1.7 c1cc([nH]c1)C(=N)N TS31801 [0,0,0,0,1,0|3,0,0]=4 1084 B8R1.7 c1cc([nH]c1)C(=O)N TS31822 [0,0,0,0,1,0|2,0,0]=3 1085 B8R1.7 c1cc([nH]c1)C(=O)O TS01673 [0,0,0,0,1,0|1,0,0]=2 1086 B8R1.7 c1cc(oc1)C(=N)N TS31821 [0,0,0,0,1,0|3,0,0]=4 1087 B8R1.7 c1cc(oc1)C(=O)Cl TS36564 [0,0,0,0,1,0|2,0,0]=3 1088 B8R1.7 c1cc(oc1)C(=O)N TS04237 [0,0,0,0,1,0|2,0,0]=3 1089 B8R1.7 c1cc(oc1)C(=O)O TS04269 [0,0,0,0,1,0|1,0,0]=2 1090 B8R1.7 c1cc(oc1)C(=S)N TS05264 [0,0,0,0,1,0|2,1,0]=4 1091 B8R1.7 c1cc(oc1)[N+](=O)[O-] TS07968 [0,0,0,0,1,0|2,0,1]=4 1092 B8R1.7 c1cc(sc1)C(=N)N TS08265 [0,0,0,0,1,0|3,0,0]=4 1093 B8R1.7 c1cc(sc1)C(=N)N TS36145 [0,0,0,0,1,0|3,0,0]=4 1094 B8R1.7 c1cc(sc1)C(=O)Cl TS07285 [0,0,0,0,1,0|2,0,0]=3 1095 B8R1.7 c1cc(sc1)C(=O)N TS05268 [0,0,0,0,1,0|2,0,0]=3 1096 B8R1.7 c1cc(sc1)C(=O)O TS59443 [0,0,0,0,1,0|1,0,0]=2 1097 B8R1.7 c1cc(sc1)C(=O)[O-] TS36230 [0,0,0,0,1,0|1,0,1]=3 1098 B8R1.7 c1cc(sc1)C(=O)[O-] TS40815 [0,0,0,0,1,0|1,0,1]=3 1099 B8R1.7 c1cc(sc1)[N+](=O)[O-] TS09400 [0,0,0,0,1,0|2,0,1]=4 1100 B8R1.7 c1cc[c-](c1)C(=O)O TS24808 [0,0,0,0,1,0|0,0,1]=2 1101 B8R1.7 c1cnc([nH]1)C(=O)O TS46948 [0,0,0,0,1,0|2,0,0]=3 1102 B8R1.7 c1cnoc1C(=O)Cl TS56205 [0,0,0,0,1,0|3,0,0]=4 1103 B8R1.7 c1cnoc1C(=O)N TS04271 [0,0,0,0,1,0|3,0,0]=4 1104 B8R1.7 c1cnsc1C(=O)O TS05447 [0,0,0,0,1,0|2,0,0]=3 1105 B8R1.7 c1coc(n1)C(=O)N TS04277 [0,0,0,0,1,0|3,0,0]=4 1106 B8R1.7 c1coc(n1)C(=O)O TS39923 [0,0,0,0,1,0|2,0,0]=3 1107 B8R1.7 c1cocc1C(=N)N TS07281 [0,0,0,0,1,0|3,0,0]=4 1108 B8R1.7 c1cocc1C(=O)Cl TS36565 [0,0,0,0,1,0|2,0,0]=3 1109 B8R1.7 c1cocc1C(=O)O TS02783 [0,0,0,0,1,0|1,0,0]=2 1110 B8R1.7 c1cocc1C(=O)O TS13775 [0,0,0,0,1,0|1,0,0]=2 1111 B8R1.7 c1cocc1C(=S)N TS05267 [0,0,0,0,1,0|2,1,0]=4 1112 B8R1.7 c1conc1C(=O)O TS00353 [0,0,0,0,1,0|2,0,0]=3 1113 B8R1.7 c1csc(n1)C(=O)O TS05448 [0,0,0,0,1,0|2,0,0]=3 1114 B8R1.7 c1csc(n1)C(=O)O TS85376 [0,0,0,0,1,0|2,0,0]=3 1115 B8R1.7 c1cscc1C(=N)N TS11635 [0,0,0,0,1,0|3,0,0]=4 1116 B8R1.7 c1cscc1C(=O)Cl TS22828 [0,0,0,0,1,0|2,0,0]=3 1117 B8R1.7 c1cscc1C(=O)O TS59444 [0,0,0,0,1,0|1,0,0]=2 1118 B8R1.7 c1cscc1C(=S)N TS06880 [0,0,0,0,1,0|2,1,0]=4 1119 B8R1.7 c1csnc1C(=O)O TS91622 [0,0,0,0,1,0|2,0,0]=3 1120 B10R1.18 B(Cc1ccccc1)(O)O TS01380 [0,0,0,0,0,1|1,0,1]=3 1121 B10R1.18 CC(=C)Cc1ccccc1 TS36701 [0,0,0,0,0,1|2,0,0]=3 1122 B10R1.18 CC(=Cc1ccccc1)C TS36699 [0,0,0,0,0,1|2,0,0]=3 1123 B10R1.18 CC(=O)C[n+]1ccccc1 TS21976 [0,0,0,0,0,1|2,0,0]=3 1124 B10R1.18 CC(=O)C[n+]1ccccc1 TS45387 [0,0,0,0,0,1|2,0,0]=3 1125 B10R1.18 CC(=O)Cc1ccccc1 TS36838 [0,0,0,0,0,1|1,0,0]=2 1126 B10R1.18 CC(=O)Cc1ccccn1 TS47028 [0,0,0,0,0,1|2,0,0]=3 1127 B10R1.18 CC(=O)Cc1cccnc1 TS36918 [0,0,0,0,0,1|2,0,0]=3 1128 B10R1.18 CC(=O)Cc1cccnc1 TS45385 [0,0,0,0,0,1|2,0,0]=3 1129 B10R1.18 CC(=O)Cc1ccncc1 TS29470 [0,0,0,0,0,1|2,0,0]=3 1130 B10R1.18 CC(=O)Nc1ccccc1 TS36935 [0,0,0,0,0,1|1,0,0]=2 1131 B10R1.18 CC(=O)Nc1ccccn1 TS36993 [0,0,0,0,0,1|2,0,0]=3 1132 B10R1.18 CC(=O)Nc1cccnc1 TS06049 [0,0,0,0,0,1|2,0,0]=3 1133 B10R1.18 CC(=O)Nc1ccncc1 TS65112 [0,0,0,0,0,1|2,0,0]=3 1134 B10R1.18 CC(=O)Oc1cccnc1 TS06165 [0,0,0,0,0,1|2,0,0]=3 1135 B10R1.18 CC(=O)Sc1ccccc1 TS41167 [0,0,0,0,0,1|1,0,0]=2 1136 B10R1.18 CC(=S)Nc1ccccc1 TS10093 [0,0,0,0,0,1|1,1,0]=3 1137 B10R1.18 CC(C)Cc1ccccc1 TS74509 [0,0,0,0,0,1|2,0,1]=4 1138 B10R1.18 CC(C)Nc1ccccc1 TS56404 [0,0,0,0,0,1|2,0,1]=4 1139 B10R1.18 CC(C)Sc1ccccc1 TS41201 [0,0,0,0,0,1|2,0,1]=4 1140 B10R1.18 CC(Cc1ccccc1)Br TS55076 [0,0,0,0,0,1|2,0,1]=4 1141 B10R1.18 CC(Cc1ccccc1)N TS06010 [0,0,0,0,0,1|2,0,1]=4 1142 B10R1.18 CC(Cc1ccccc1)O TS47018 [0,0,0,0,0,1|1,0,1]=3 1143 B10R1.18 CN(C)Cc1ccccc1 TS06009 [0,0,0,0,0,1|3,0,0]=4 1144 B10R1.18 CN(C)Cc1ccccc1 TS45394 [0,0,0,0,0,1|3,0,0]=4 1145 B10R1.18 CS(=O)Cc1ccccc1 TS10469 [0,0,0,0,0,1|2,0,0]=3 1146 B10R1.18 C[C@@H](Cc1ccccc1)N TS36940 [0,0,0,0,0,1|2,0,1]=4 1147 B10R1.18 C[C@@H](Cc1ccccc1)N TS66757 [0,0,0,0,0,1|2,0,1]=4 1148 B10R1.18 C[SiH](C)Cc1ccccc1 TS40934 [0,0,0,0,0,1|2,1,0]=4 1149 B10R1.18 c1c(cncn1)CC(=O)O TS37158 [0,0,0,0,0,1|2,0,0]=3 1150 B10R1.18 c1cc(cnc1)CC(=O)O TS94291 [0,0,0,0,0,1|1,0,0]=2 1151 B10R1.18 c1cc(cnc1)CC(=O)O TS94292 [0,0,0,0,0,1|1,0,0]=2 1152 B10R1.18 c1cc(cnc1)NC(=S)N TS59320 [0,0,0,0,0,1|2,1,0]=4 1153 B10R1.18 c1cc(nnc1)CC(=O)O TS86714 [0,0,0,0,0,1|2,0,0]=3 1154 B10R1.18 c1cc[n+](cc1)CC(=O)N TS45571 [0,0,0,0,0,1|2,0,0]=3 1155 B10R1.18 c1cc[n+](cc1)CC(=O)O TS13410 [0,0,0,0,0,1|1,0,0]=2 1156 B10R1.18 c1ccc(cc1)CC(=O)Cl TS59338 [0,0,0,0,0,1|1,0,0]=2 1157 B10R1.18 c1ccc(cc1)CC(=O)N TS36936 [0,0,0,0,0,1|1,0,0]=2 1158 B10R1.18 c1ccc(cc1)CC(=O)O TS06169 [0,0,0,0,0,1|0,0,0]=1 1159 B10R1.18 c1ccc(cc1)CC(=O)O TS37162 [0,0,0,0,0,1|0,0,0]=1 1160 B10R1.18 c1ccc(cc1)CC(=O)[O-] TS41860 [0,0,0,0,0,1|0,0,1]=2 1161 B10R1.18 c1ccc(cc1)CC(=O)[O-] TS45813 [0,0,0,0,0,1|0,0,1]=2 1162 B10R1.18 c1ccc(cc1)CC(=S)N TS41053 [0,0,0,0,0,1|1,1,0]=3 1163 B10R1.18 c1ccc(cc1)N=C(N)N TS53990 [0,0,0,0,0,1|2,0,0]=3 1164 B10R1.18 c1ccc(cc1)NC(=N)N TS53844 [0,0,0,0,0,1|2,0,0]=3 1165 B10R1.18 c1ccc(cc1)NC(=O)F TS37274 [0,0,0,0,0,1|1,0,0]=2 1166 B10R1.18 c1ccc(cc1)NC(=O)N TS06065 [0,0,0,0,0,1|1,0,0]=2 1167 B10R1.18 c1ccc(cc1)NC(=S)N TS41175 [0,0,0,0,0,1|1,1,0]=3 1168 B10R1.18 c1ccc(cc1)OC(=O)Cl TS10789 [0,0,0,0,0,1|1,0,0]=2 1169 B10R1.18 c1ccc(cc1)OC(=O)N TS06164 [0,0,0,0,0,1|1,0,0]=2 1170 B10R1.18 c1ccc(cc1)OC(=S)Cl TS45574 [0,0,0,0,0,1|1,1,0]=3 1171 B10R1.18 c1ccc(cc1)OC(=S)Cl TS45577 [0,0,0,0,0,1|1,1,0]=3 1172 B10R1.18 c1ccc(cc1)OC(F)F TS06920 [0,0,0,0,0,1|2,0,1]=4 1173 B10R1.18 c1ccc(cc1)OP(Cl)Cl TS17988 [0,0,0,0,0,1|3,0,0]=4 1174 B10R1.18 c1ccc(cc1)SC(=S)Cl TS16100 [0,0,0,0,0,1|1,1,0]=3 1175 B10R1.18 c1ccc(cc1)[SiH2]C(Cl)Cl TS17240 [0,0,0,0,0,1|2,0,1]=4 1176 B10R1.18 c1ccnc(c1)CC(=O)N TS06050 [0,0,0,0,0,1|2,0,0]=3 1177 B10R1.18 c1ccnc(c1)CC(=O)O TS02474 [0,0,0,0,0,1|1,0,0]=2 1178 B10R1.18 c1ccnc(c1)NC(=O)N TS06170 [0,0,0,0,0,1|2,0,0]=3 1179 B10R1.18 c1cnc(cn1)CC(=O)O TS02465 [0,0,0,0,0,1|2,0,0]=3 1180 B10R1.18 c1cnc(nc1)CC(=O)O TS02476 [0,0,0,0,0,1|2,0,0]=3 1181 B10R1.18 c1cnccc1CC(=O)N TS36994 [0,0,0,0,0,1|2,0,0]=3 1182 B10R1.18 c1cnccc1CC(=S)Cl TS45391 [0,0,0,0,0,1|2,1,0]=4 1183 B10R1.18 c1cnccc1CC(=S)O TS20061 [0,0,0,0,0,1|1,1,0]=3 1184 B10R1.18 c1cnccc1NC(=S)N TS41286 [0,0,0,0,0,1|2,1,0]=4 1185 B10R1.18 c1cncnc1CC(=O)O TS88488 [0,0,0,0,0,1|2,0,0]=3 1186 B10R1.18 c1cnncc1CC(=O)O TS90855 [0,0,0,0,0,1|2,0,0]=3 1187 B7R0.1 CCC=CC=CC=O TS04199 [1,0,1,0,0,0|0,0,2]=4 1188 B7R0.4 CC(=O)OC=CC=C TS31913 [1,0,1,0,0,0|2,0,0]=4 1189 B7R0.4 CC=CC=CC(=O)C TS31841 [1,0,1,0,0,0|1,0,1]=4 1190 B7R0.4 CC=CC=CC(=O)O TS31914 [1,0,1,0,0,0|0,0,1]=3 1191 B7R0.4 CC=CC=CC(=O)[O-] TS09910 [1,0,1,0,0,0|0,0,2]=4 1192 B7R0.4 CC=CC=CC(=O)[O-] TS29798 [1,0,1,0,0,0|0,0,2]=4 1193 B7R1.3 B=N1=CC=CC=C1 TS71871 [2,0,0,0,0,0|2,0,0]=4 1194 B7R1.3 C[n+]1ccccc1 TS05508 [2,0,0,0,0,0|1,0,1]=4 1195 B7R1.3 C[n+]1ccccc1 TS45717 [2,0,0,0,0,0|1,0,1]=4 1196 B7R1.3 Cc1ccccc1 TS71861 [2,0,0,0,0,0|0,0,1]=3 1197 B7R1.3 Cc1ccccn1 TS71881 [2,0,0,0,0,0|1,0,1]=4 1198 B7R1.3 Cc1ccccn1 TS93768 [2,0,0,0,0,0|1,0,1]=4 1199 B7R1.3 Cc1cccnc1 TS39719 [2,0,0,0,0,0|1,0,1]=4 1200 B7R1.3 Cc1ccncc1 TS02242 [2,0,0,0,0,0|1,0,1]=4 1201 B7R1.3 [Li]c1ccccc1 TS03475 [2,0,0,0,0,0|1,0,0]=3 1202 B7R1.3 c1c(cncn1)O TS03344 [2,0,0,0,0,0|2,0,0]=4 1203 B7R1.3 c1cc(cnc1)Br TS09497 [2,0,0,0,0,0|2,0,0]=4 1204 B7R1.3 c1cc(cnc1)Cl TS66010 [2,0,0,0,0,0|2,0,0]=4 1205 B7R1.3 c1cc(cnc1)F TS02768 [2,0,0,0,0,0|2,0,0]=4 1206 B7R1.3 c1cc(cnc1)I TS70634 [2,0,0,0,0,0|2,0,0]=4 1207 B7R1.3 c1cc(cnc1)N TS02672 [2,0,0,0,0,0|2,0,0]=4 1208 B7R1.3 c1cc(cnc1)O TS32269 [2,0,0,0,0,0|1,0,0]=3 1209 B7R1.3 c1cc(nnc1)O TS91073 [2,0,0,0,0,0|2,0,0]=4 1210 B7R1.3 c1cc[n+](cc1)F TS15405 [2,0,0,0,0,0|2,0,0]=4 1211 B7R1.3 c1cc[n+](cc1)N TS50044 [2,0,0,0,0,0|2,0,0]=4 1212 B7R1.3 c1ccc(cc1)Br TS33230 [2,0,0,0,0,0|1,0,0]=3 1213 B7R1.3 c1ccc(cc1)Cl TS39829 [2,0,0,0,0,0|1,0,0]=3 1214 B7R1.3 c1ccc(cc1)F TS03718 [2,0,0,0,0,0|1,0,0]=3 1215 B7R1.3 c1ccc(cc1)I TS01502 [2,0,0,0,0,0|1,0,0]=3 1216 B7R1.3 c1ccc(cc1)I TS09193 [2,0,0,0,0,0|1,0,0]=3 1217 B7R1.3 c1ccc(cc1)N TS05506 [2,0,0,0,0,0|1,0,0]=3 1218 B7R1.3 c1ccc(cc1)N TS17238 [2,0,0,0,0,0|1,0,0]=3 1219 B7R1.3 c1ccc(cc1)N TS31115 [2,0,0,0,0,0|1,0,0]=3 1220 B7R1.3 c1ccc(cc1)N TS45718 [2,0,0,0,0,0|1,0,0]=3 1221 B7R1.3 c1ccc(cc1)N TS50550 [2,0,0,0,0,0|1,0,0]=3 1222 B7R1.3 c1ccc(cc1)N TS71877 [2,0,0,0,0,0|1,0,0]=3 1223 B7R1.3 c1ccc(cc1)O TS03667 [2,0,0,0,0,0|0,0,0]=2 1224 B7R1.3 c1ccc(cc1)P TS04186 [2,0,0,0,0,0|1,0,0]=3 1225 B7R1.3 c1ccc(cc1)S TS04213 [2,0,0,0,0,0|0,1,0]=3 1226 B7R1.3 c1ccc(cc1)[AsH2] TS10367 [2,0,0,0,0,0|1,0,0]=3 1227 B7R1.3 c1ccc(cc1)[O-] TS31486 [2,0,0,0,0,0|0,0,1]=3 1228 B7R1.3 c1ccc(cc1)[O-] TS45086 [2,0,0,0,0,0|0,0,1]=3 1229 B7R1.3 c1ccc(cc1)[S-] TS13286 [2,0,0,0,0,0|0,1,0]=3 1230 B7R1.3 c1ccc(cc1)[S-] TS36665 [2,0,0,0,0,0|0,1,0]=3 1231 B7R1.3 c1ccc(cc1)[SiH3] TS04151 [2,0,0,0,0,0|0,1,0]=3 1232 B7R1.3 c1ccc(cc1)[Zn+] TS23551 [2,0,0,0,0,0|1,0,0]=3 1233 B7R1.3 c1ccn(=O)cc1 TS60161 [2,0,0,0,0,0|1,0,0]=3 1234 B7R1.3 c1ccnc(c1)Cl TS02148 [2,0,0,0,0,0|2,0,0]=4 1235 B7R1.3 c1ccnc(c1)F TS60290 [2,0,0,0,0,0|2,0,0]=4 1236 B7R1.3 c1ccnc(c1)I TS01085 [2,0,0,0,0,0|2,0,0]=4 1237 B7R1.3 c1ccnc(c1)N TS03671 [2,0,0,0,0,0|2,0,0]=4 1238 B7R1.3 c1ccnc(c1)O TS03693 [2,0,0,0,0,0|1,0,0]=3 1239 B7R1.3 c1ccnc(c1)S TS31885 [2,0,0,0,0,0|1,1,0]=4 1240 B7R1.3 c1ccnc(c1)[Zn+] TS50356 [2,0,0,0,0,0|2,0,0]=4 1241 B7R1.3 c1ccoc(=O)c1 TS03711 [2,0,0,0,0,0|1,0,0]=3 1242 B7R1.3 c1cn(=O)ccn1 TS03715 [2,0,0,0,0,0|2,0,0]=4 1243 B7R1.3 c1cnc(cn1)O TS55403 [2,0,0,0,0,0|2,0,0]=4 1244 B7R1.3 c1cnc(nc1)O TS13789 [2,0,0,0,0,0|2,0,0]=4 1245 B7R1.3 c1cnc(nc1)O TS55405 [2,0,0,0,0,0|2,0,0]=4 1246 B7R1.3 c1cnc(nc1)O TS55406 [2,0,0,0,0,0|2,0,0]=4 1247 B7R1.3 c1cnccc1Br TS57179 [2,0,0,0,0,0|2,0,0]=4 1248 B7R1.3 c1cnccc1Cl TS09693 [2,0,0,0,0,0|2,0,0]=4 1249 B7R1.3 c1cnccc1I TS09722 [2,0,0,0,0,0|2,0,0]=4 1250 B7R1.3 c1cnccc1N TS70921 [2,0,0,0,0,0|2,0,0]=4 1251 B7R1.3 c1cnccc1O TS87252 [2,0,0,0,0,0|1,0,0]=3 1252 B7R1.3 c1cnccc1S TS31884 [2,0,0,0,0,0|1,1,0]=4 1253 B7R1.3 c1cncnc1O TS03137 [2,0,0,0,0,0|2,0,0]=4 1254 B7R1.3 c1cncnc1O TS15021 [2,0,0,0,0,0|2,0,0]=4 1255 B7R1.3 c1cncnc1O TS16881 [2,0,0,0,0,0|2,0,0]=4 1256 B7R1.3 c1cnncc1O TS03136 [2,0,0,0,0,0|2,0,0]=4 1257 B7R1.3 c1coccc1=O TS39928 [2,0,0,0,0,0|1,0,0]=3 1258 B9R0.46 COC(=O)CCC=CC=C TS37385 [0,1,1,0,0,0|0,0,2]=4 1259 B9R0.55 C(=CC(=O)O)C=CC(=O)O TS06645 [0,1,1,0,0,0|1,0,0]=3 1260 B9R0.55 C(=CC(=O)O)C=CC(=O)O TS94785 [0,1,1,0,0,0|1,0,0]=3 1261 B9R0.15 CCCC(=CC=C)C(=O)O TS06475 [0,1,1,0,0,0|0,0,2]=4 1262 B9R1.1 C#Cc1ccc(cc1)Br TS39997 [1,1,0,0,0,0|1,0,1]=4 1263 B9R1.1 C#Cc1ccc(cc1)Cl TS46931 [1,1,0,0,0,0|1,0,1]=4 1264 B9R1.1 C#Cc1ccc(cc1)F TS07664 [1,1,0,0,0,0|1,0,1]=4 1265 B9R1.1 C#Cc1ccc(cc1)N TS04675 [1,1,0,0,0,0|1,0,1]=4 1266 B9R1.1 C#Cc1ccc(cc1)O TS71112 [1,1,0,0,0,0|1,0,1]=4 1267 B9R1.1 C=Cc1ccc(cc1)Br TS48376 [1,1,0,0,0,0|1,0,0]=3 1268 B9R1.1 C=Cc1ccc(cc1)Cl TS37254 [1,1,0,0,0,0|1,0,0]=3 1269 B9R1.1 C=Cc1ccc(cc1)F TS32505 [1,1,0,0,0,0|1,0,0]=3 1270 B9R1.1 C=Cc1ccc(cc1)N TS04791 [1,1,0,0,0,0|1,0,0]=3 1271 B9R1.1 C=Cc1ccc(cc1)O TS71308 [1,1,0,0,0,0|1,0,0]=3 1272 B9R1.1 CCc1ccc(cc1)Br TS01944 [1,1,0,0,0,0|1,0,1]=4 1273 B9R1.1 CCc1ccc(cc1)Cl TS37449 [1,1,0,0,0,0|1,0,1]=4 1274 B9R1.1 CCc1ccc(cc1)F TS05030 [1,1,0,0,0,0|1,0,1]=4 1275 B9R1.1 CCc1ccc(cc1)I TS25158 [1,1,0,0,0,0|1,0,1]=4 1276 B9R1.1 CCc1ccc(cc1)N TS04870 [1,1,0,0,0,0|1,0,1]=4 1277 B9R1.1 CCc1ccc(cc1)O TS04905 [1,1,0,0,0,0|1,0,1]=4 1278 B9R1.1 CCc1ccc(cc1)S TS06298 [1,1,0,0,0,0|1,0,1]=4 1279 B9R1.1 CCc1ccc(cc1)[Zn+] TS55970 [1,1,0,0,0,0|1,0,1]=4 1280 B9R1.1 CNc1ccc(cc1)Br TS48830 [1,1,0,0,0,0|2,0,0]=4 1281 B9R1.1 CNc1ccc(cc1)Cl TS37534 [1,1,0,0,0,0|2,0,0]=4 1282 B9R1.1 CNc1ccc(cc1)F TS36055 [1,1,0,0,0,0|2,0,0]=4 1283 B9R1.1 CNc1ccc(cc1)I TS32640 [1,1,0,0,0,0|2,0,0]=4 1284 B9R1.1 CNc1ccc(cc1)N TS04921 [1,1,0,0,0,0|2,0,0]=4 1285 B9R1.1 CNc1ccc(cc1)N TS17998 [1,1,0,0,0,0|2,0,0]=4 1286 B9R1.1 CNc1ccc(cc1)O TS04963 [1,1,0,0,0,0|2,0,0]=4 1287 B9R1.1 CNc1ccc(cc1)O TS78698 [1,1,0,0,0,0|2,0,0]=4 1288 B9R1.1 COc1ccc(cc1)Cl TS37682 [1,1,0,0,0,0|2,0,0]=4 1289 B9R1.1 COc1ccc(cc1)F TS32969 [1,1,0,0,0,0|2,0,0]=4 1290 B9R1.1 COc1ccc(cc1)I TS59516 [1,1,0,0,0,0|2,0,0]=4 1291 B9R1.1 COc1ccc(cc1)N TS01634 [1,1,0,0,0,0|2,0,0]=4 1292 B9R1.1 COc1ccc(cc1)N TS11193 [1,1,0,0,0,0|2,0,0]=4 1293 B9R1.1 COc1ccc(cc1)N TS93025 [1,1,0,0,0,0|2,0,0]=4 1294 B9R1.1 COc1ccc(cc1)O TS02083 [1,1,0,0,0,0|2,0,0]=4 1295 B9R1.1 COc1ccc(cc1)S TS06486 [1,1,0,0,0,0|2,0,0]=4 1296 B9R1.1 COc1ccc(cc1)[Zn+] TS74539 [1,1,0,0,0,0|2,0,0]=4 1297 B9R1.1 CSc1ccc(cc1)Br TS09618 [1,1,0,0,0,0|2,0,0]=4 1298 B9R1.1 CSc1ccc(cc1)Cl TS42001 [1,1,0,0,0,0|2,0,0]=4 1299 B9R1.1 CSc1ccc(cc1)F TS06687 [1,1,0,0,0,0|2,0,0]=4 1300 B9R1.1 CSc1ccc(cc1)I TS27986 [1,1,0,0,0,0|2,0,0]=4 1301 B9R1.1 CSc1ccc(cc1)N TS06394 [1,1,0,0,0,0|2,0,0]=4 1302 B9R1.1 CSc1ccc(cc1)O TS37396 [1,1,0,0,0,0|2,0,0]=4 1303 B9R1.1 CSc1ccc(cc1)S TS41710 [1,1,0,0,0,0|2,0,0]=4 1304 B9R1.1 CSc1ccc(cc1)[Zn+] TS76796 [1,1,0,0,0,0|2,0,0]=4 1305 B9R1.1 Cc1ccc(cc1)C#C TS32874 [1,1,0,0,0,0|1,0,1]=4 1306 B9R1.1 Cc1ccc(cc1)C#N TS04679 [1,1,0,0,0,0|1,0,1]=4 1307 B9R1.1 Cc1ccc(cc1)C=C TS71237 [1,1,0,0,0,0|1,0,0]=3 1308 B9R1.1 Cc1ccc(cc1)C=O TS09079 [1,1,0,0,0,0|0,0,0]=2 1309 B9R1.1 Cc1ccc(cc1)CBr TS03170 [1,1,0,0,0,0|1,0,1]=4 1310 B9R1.1 Cc1ccc(cc1)CCl TS37455 [1,1,0,0,0,0|1,0,1]=4 1311 B9R1.1 Cc1ccc(cc1)CN TS32473 [1,1,0,0,0,0|1,0,1]=4 1312 B9R1.1 Cc1ccc(cc1)CO TS04902 [1,1,0,0,0,0|0,0,1]=3 1313 B9R1.1 Cc1ccc(cc1)CS TS06300 [1,1,0,0,0,0|0,1,1]=4 1314 B9R1.1 Cc1ccc(cc1)NC TS32470 [1,1,0,0,0,0|2,0,0]=4 1315 B9R1.1 Cc1ccc(cc1)NN TS01655 [1,1,0,0,0,0|2,0,0]=4 1316 B9R1.1 Cc1ccc(cc1)NN TS23082 [1,1,0,0,0,0|2,0,0]=4 1317 B9R1.1 Cc1ccc(cc1)OC TS04894 [1,1,0,0,0,0|2,0,0]=4 1318 B9R1.1 Cc1ccc(cc1)SC TS71244 [1,1,0,0,0,0|2,0,0]=4 1319 B9R1.1 Cc1ccc(cc1)[Hg]Cl TS77673 [1,1,0,0,0,0|2,0,0]=4 1320 B9R1.1 Cc1ccc(cc1)[Mg]Cl TS40955 [1,1,0,0,0,0|2,0,0]=4 1321 B9R1.1 Cc1ccc(cn1)C=C TS55464 [1,1,0,0,0,0|2,0,0]=4 1322 B9R1.1 Cc1ccc(cn1)C=O TS01266 [1,1,0,0,0,0|1,0,0]=3 1323 B9R1.1 Cc1ccc(nc1)C=O TS01160 [1,1,0,0,0,0|1,0,0]=3 1324 B9R1.1 Cc1cnc(cn1)C=O TS88939 [1,1,0,0,0,0|2,0,0]=4 1325 B9R1.1 Cc1cnc(nc1)C=O TS90871 [1,1,0,0,0,0|2,0,0]=4 1326 B9R1.1 Cc1ncc(cn1)C=O TS08763 [1,1,0,0,0,0|2,0,0]=4 1327 B9R1.1 [C-]#[N+]c1ccc(cc1)Br TS14866 [1,1,0,0,0,0|2,0,0]=4 1328 B9R1.1 [C-]#[N+]c1ccc(cc1)Cl TS37137 [1,1,0,0,0,0|2,0,0]=4 1329 B9R1.1 [C-]#[N+]c1ccc(cc1)F TS04858 [1,1,0,0,0,0|2,0,0]=4 1330 B9R1.1 c1c(cnc(n1)C=O)Cl TS88591 [1,1,0,0,0,0|2,0,0]=4 1331 B9R1.1 c1c(cnc(n1)C=O)F TS89712 [1,1,0,0,0,0|2,0,0]=4 1332 B9R1.1 c1c(cnc(n1)Cl)C=O TS90869 [1,1,0,0,0,0|2,0,0]=4 1333 B9R1.1 c1c(cnc(n1)N)C=O TS47453 [1,1,0,0,0,0|2,0,0]=4 1334 B9R1.1 c1c(ncc(n1)Cl)C=O TS88126 [1,1,0,0,0,0|2,0,0]=4 1335 B9R1.1 c1cc(=O)[nH]cc1CO TS03336 [1,1,0,0,0,0|1,0,1]=4 1336 B9R1.1 c1cc(ccc1C#N)Br TS09595 [1,1,0,0,0,0|1,0,1]=4 1337 B9R1.1 c1cc(ccc1C#N)Cl TS33152 [1,1,0,0,0,0|1,0,1]=4 1338 B9R1.1 c1cc(ccc1C#N)F TS93132 [1,1,0,0,0,0|1,0,1]=4 1339 B9R1.1 c1cc(ccc1C#N)I TS09717 [1,1,0,0,0,0|1,0,1]=4 1340 B9R1.1 c1cc(ccc1C#N)N TS70912 [1,1,0,0,0,0|1,0,1]=4 1341 B9R1.1 c1cc(ccc1C#N)O TS03063 [1,1,0,0,0,0|1,0,1]=4 1342 B9R1.1 c1cc(ccc1C#N)S TS03071 [1,1,0,0,0,0|1,0,1]=4 1343 B9R1.1 c1cc(ccc1C#N)[Zn+] TS27647 [1,1,0,0,0,0|1,0,1]=4 1344 B9R1.1 c1cc(ccc1C=O)Br TS09589 [1,1,0,0,0,0|0,0,0]=2 1345 B9R1.1 c1cc(ccc1C=O)Cl TS37446 [1,1,0,0,0,0|0,0,0]=2 1346 B9R1.1 c1cc(ccc1C=O)Cl TS93024 [1,1,0,0,0,0|0,0,0]=2 1347 B9R1.1 c1cc(ccc1C=O)F TS03079 [1,1,0,0,0,0|0,0,0]=2 1348 B9R1.1 c1cc(ccc1C=O)I TS71194 [1,1,0,0,0,0|0,0,0]=2 1349 B9R1.1 c1cc(ccc1C=O)N TS08868 [1,1,0,0,0,0|0,0,0]=2 1350 B9R1.1 c1cc(ccc1C=O)O TS01630 [1,1,0,0,0,0|0,0,0]=2 1351 B9R1.1 c1cc(ccc1C=O)O TS42180 [1,1,0,0,0,0|0,0,0]=2 1352 B9R1.1 c1cc(ccc1CBr)Br TS09598 [1,1,0,0,0,0|1,0,1]=4 1353 B9R1.1 c1cc(ccc1CBr)Cl TS46748 [1,1,0,0,0,0|1,0,1]=4 1354 B9R1.1 c1cc(ccc1CBr)F TS03088 [1,1,0,0,0,0|1,0,1]=4 1355 B9R1.1 c1cc(ccc1CBr)I TS09718 [1,1,0,0,0,0|1,0,1]=4 1356 B9R1.1 c1cc(ccc1CBr)O TS16899 [1,1,0,0,0,0|1,0,1]=4 1357 B9R1.1 c1cc(ccc1CCl)Br TS16774 [1,1,0,0,0,0|1,0,1]=4 1358 B9R1.1 c1cc(ccc1CCl)Cl TS39591 [1,1,0,0,0,0|1,0,1]=4 1359 B9R1.1 c1cc(ccc1CCl)F TS07044 [1,1,0,0,0,0|1,0,1]=4 1360 B9R1.1 c1cc(ccc1CN)Br TS09597 [1,1,0,0,0,0|1,0,1]=4 1361 B9R1.1 c1cc(ccc1CN)Br TS60052 [1,1,0,0,0,0|1,0,1]=4 1362 B9R1.1 c1cc(ccc1CN)Cl TS33154 [1,1,0,0,0,0|1,0,1]=4 1363 B9R1.1 c1cc(ccc1CN)Cl TS71062 [1,1,0,0,0,0|1,0,1]=4 1364 B9R1.1 c1cc(ccc1CN)F TS03087 [1,1,0,0,0,0|1,0,1]=4 1365 B9R1.1 c1cc(ccc1CN)F TS42359 [1,1,0,0,0,0|1,0,1]=4 1366 B9R1.1 c1cc(ccc1CN)I TS07803 [1,1,0,0,0,0|1,0,1]=4 1367 B9R1.1 c1cc(ccc1CN)I TS73917 [1,1,0,0,0,0|1,0,1]=4 1368 B9R1.1 c1cc(ccc1CN)N TS32510 [1,1,0,0,0,0|1,0,1]=4 1369 B9R1.1 c1cc(ccc1CN)O TS38524 [1,1,0,0,0,0|1,0,1]=4 1370 B9R1.1 c1cc(ccc1CN)O TS71170 [1,1,0,0,0,0|1,0,1]=4 1371 B9R1.1 c1cc(ccc1CO)Br TS16773 [1,1,0,0,0,0|0,0,1]=3 1372 B9R1.1 c1cc(ccc1CO)Cl TS37684 [1,1,0,0,0,0|0,0,1]=3 1373 B9R1.1 c1cc(ccc1CO)F TS36109 [1,1,0,0,0,0|0,0,1]=3 1374 B9R1.1 c1cc(ccc1CO)I TS02234 [1,1,0,0,0,0|0,0,1]=3 1375 B9R1.1 c1cc(ccc1CO)N TS70914 [1,1,0,0,0,0|0,0,1]=3 1376 B9R1.1 c1cc(ccc1CO)O TS46479 [1,1,0,0,0,0|0,0,1]=3 1377 B9R1.1 c1cc(ccc1CO)S TS37388 [1,1,0,0,0,0|0,0,1]=3 1378 B9R1.1 c1cc(ccc1CS)Br TS19522 [1,1,0,0,0,0|0,1,1]=4 1379 B9R1.1 c1cc(ccc1CS)Cl TS42005 [1,1,0,0,0,0|0,1,1]=4 1380 B9R1.1 c1cc(ccc1CS)F TS06684 [1,1,0,0,0,0|0,1,1]=4 1381 B9R1.1 c1cc(ccc1C[Zn+])Br TS76764 [1,1,0,0,0,0|1,0,1]=4 1382 B9R1.1 c1cc(ccc1F)[Mg]Br TS16672 [1,1,0,0,0,0|2,0,0]=4 1383 B9R1.1 c1cc(ccc1N=O)O TS32551 [1,1,0,0,0,0|1,0,0]=3 1384 B9R1.1 c1cc(ccc1NN)Br TS50374 [1,1,0,0,0,0|2,0,0]=4 1385 B9R1.1 c1cc(ccc1NN)Cl TS06801 [1,1,0,0,0,0|2,0,0]=4 1386 B9R1.1 c1cc(ccc1NN)Cl TS67272 [1,1,0,0,0,0|2,0,0]=4 1387 B9R1.1 c1cc(ccc1NN)I TS53552 [1,1,0,0,0,0|2,0,0]=4 1388 B9R1.1 c1cc(ccc1[Mg]Br)Cl TS21953 [1,1,0,0,0,0|2,0,0]=4 1389 B9R1.1 c1cc(ccc1[Mg]Cl)Cl TS45365 [1,1,0,0,0,0|2,0,0]=4 1390 B9R1.1 c1cc(ccc1[N+]#N)Br TS30906 [1,1,0,0,0,0|2,0,0]=4 1391 B9R1.1 c1cc(ncc1Br)C=O TS71427 [1,1,0,0,0,0|1,0,0]=3 1392 B9R1.1 c1cc(ncc1Br)CO TS71442 [1,1,0,0,0,0|1,0,1]=4 1393 B9R1.1 c1cc(ncc1C=O)Br TS16478 [1,1,0,0,0,0|1,0,0]=3 1394 B9R1.1 c1cc(ncc1C=O)Cl TS85443 [1,1,0,0,0,0|1,0,0]=3 1395 B9R1.1 c1cc(ncc1C=O)F TS01040 [1,1,0,0,0,0|1,0,0]=3 1396 B9R1.1 c1cc(ncc1C=O)N TS87752 [1,1,0,0,0,0|1,0,0]=3 1397 B9R1.1 c1cc(ncc1C=O)O TS55611 [1,1,0,0,0,0|1,0,0]=3 1398 B9R1.1 c1cc(ncc1CO)Br TS22929 [1,1,0,0,0,0|1,0,1]=4 1399 B9R1.1 c1cc(ncc1CO)Cl TS55248 [1,1,0,0,0,0|1,0,1]=4 1400 B9R1.1 c1cc(ncc1CO)F TS85126 [1,1,0,0,0,0|1,0,1]=4 1401 B9R1.1 c1cc(ncc1CO)N TS46564 [1,1,0,0,0,0|1,0,1]=4 1402 B9R1.1 c1cc(ncc1Cl)C=O TS71489 [1,1,0,0,0,0|1,0,0]=3 1403 B9R1.1 c1cc(ncc1F)C=O TS60090 [1,1,0,0,0,0|1,0,0]=3 1404 B9R1.1 c1cc(ncc1F)CO TS88541 [1,1,0,0,0,0|1,0,1]=4 1405 B9R1.1 c1cc(ncc1O)C=O TS03343 [1,1,0,0,0,0|1,0,0]=3 1406 B9R1.1 c1cc(nnc1C=O)Cl TS86321 [1,1,0,0,0,0|2,0,0]=4 1407 B9R1.1 c1cn(=O)ccc1C=O TS32549 [1,1,0,0,0,0|1,0,0]=3 1408 B9R1.1 c1cn(=O)ccc1CO TS59701 [1,1,0,0,0,0|1,0,1]=4 1409 B9R1.2 C#Cc1cccc(c1)Br TS65960 [1,1,0,0,0,0|1,0,1]=4 1410 B9R1.2 C#Cc1cccc(c1)Cl TS02032 [1,1,0,0,0,0|1,0,1]=4 1411 B9R1.2 C#Cc1cccc(c1)F TS70602 [1,1,0,0,0,0|1,0,1]=4 1412 B9R1.2 C#Cc1cccc(c1)N TS02665 [1,1,0,0,0,0|1,0,1]=4 1413 B9R1.2 C#Cc1cccc(c1)O TS32329 [1,1,0,0,0,0|1,0,1]=4 1414 B9R1.2 C=Cc1cc(cnc1)Br TS48517 [1,1,0,0,0,0|2,0,0]=4 1415 B9R1.2 C=Cc1cccc(c1)Br TS48377 [1,1,0,0,0,0|1,0,0]=3 1416 B9R1.2 C=Cc1cccc(c1)Cl TS37252 [1,1,0,0,0,0|1,0,0]=3 1417 B9R1.2 C=Cc1cccc(c1)F TS32503 [1,1,0,0,0,0|1,0,0]=3 1418 B9R1.2 C=Cc1cccc(c1)N TS04792 [1,1,0,0,0,0|1,0,0]=3 1419 B9R1.2 CCc1cccc(c1)Br TS32764 [1,1,0,0,0,0|1,0,1]=4 1420 B9R1.2 CCc1cccc(c1)C TS04835 [1,1,0,0,0,0|1,0,1]=4 1421 B9R1.2 CCc1cccc(c1)N TS32463 [1,1,0,0,0,0|1,0,1]=4 1422 B9R1.2 CCc1cccc(c1)O TS04895 [1,1,0,0,0,0|1,0,1]=4 1423 B9R1.2 CNc1cccc(c1)Br TS48829 [1,1,0,0,0,0|2,0,0]=4 1424 B9R1.2 CNc1cccc(c1)Cl TS37535 [1,1,0,0,0,0|2,0,0]=4 1425 B9R1.2 CNc1cccc(c1)F TS70598 [1,1,0,0,0,0|2,0,0]=4 1426 B9R1.2 COc1cccc(c1)Br TS00028 [1,1,0,0,0,0|2,0,0]=4 1427 B9R1.2 COc1cccc(c1)Cl TS37686 [1,1,0,0,0,0|2,0,0]=4 1428 B9R1.2 COc1cccc(c1)F TS70591 [1,1,0,0,0,0|2,0,0]=4 1429 B9R1.2 COc1cccc(c1)I TS39445 [1,1,0,0,0,0|2,0,0]=4 1430 B9R1.2 COc1cccc(c1)N TS02081 [1,1,0,0,0,0|2,0,0]=4 1431 B9R1.2 COc1cccc(c1)N TS11191 [1,1,0,0,0,0|2,0,0]=4 1432 B9R1.2 COc1cccc(c1)O TS39714 [1,1,0,0,0,0|2,0,0]=4 1433 B9R1.2 COc1cccc(c1)S TS70650 [1,1,0,0,0,0|2,0,0]=4 1434 B9R1.2 COc1cccc(c1)[Zn+] TS74541 [1,1,0,0,0,0|2,0,0]=4 1435 B9R1.2 CSc1cccc(c1)Br TS60340 [1,1,0,0,0,0|2,0,0]=4 1436 B9R1.2 CSc1cccc(c1)Cl TS42003 [1,1,0,0,0,0|2,0,0]=4 1437 B9R1.2 CSc1cccc(c1)F TS60012 [1,1,0,0,0,0|2,0,0]=4 1438 B9R1.2 CSc1cccc(c1)I TS27987 [1,1,0,0,0,0|2,0,0]=4 1439 B9R1.2 CSc1cccc(c1)N TS02674 [1,1,0,0,0,0|2,0,0]=4 1440 B9R1.2 Cc1cc(ccn1)C=O TS02448 [1,1,0,0,0,0|1,0,0]=3 1441 B9R1.2 Cc1cc(cnc1)C=O TS01158 [1,1,0,0,0,0|1,0,0]=3 1442 B9R1.2 Cc1cc(cnc1)CO TS04972 [1,1,0,0,0,0|1,0,1]=4 1443 B9R1.2 Cc1cccc(c1)C#C TS32229 [1,1,0,0,0,0|1,0,1]=4 1444 B9R1.2 Cc1cccc(c1)C#N TS02843 [1,1,0,0,0,0|1,0,1]=4 1445 B9R1.2 Cc1cccc(c1)C=C TS70680 [1,1,0,0,0,0|1,0,0]=3 1446 B9R1.2 Cc1cccc(c1)CBr TS00037 [1,1,0,0,0,0|1,0,1]=4 1447 B9R1.2 Cc1cccc(c1)CCl TS37460 [1,1,0,0,0,0|1,0,1]=4 1448 B9R1.2 Cc1cccc(c1)CN TS04866 [1,1,0,0,0,0|1,0,1]=4 1449 B9R1.2 Cc1cccc(c1)CO TS04903 [1,1,0,0,0,0|0,0,1]=3 1450 B9R1.2 Cc1cccc(c1)CS TS06306 [1,1,0,0,0,0|0,1,1]=4 1451 B9R1.2 Cc1cccc(c1)C[Zn+] TS38912 [1,1,0,0,0,0|1,0,1]=4 1452 B9R1.2 Cc1cccc(c1)NC TS32467 [1,1,0,0,0,0|2,0,0]=4 1453 B9R1.2 Cc1cccc(c1)NN TS04918 [1,1,0,0,0,0|2,0,0]=4 1454 B9R1.2 Cc1cccc(c1)NN TS41997 [1,1,0,0,0,0|2,0,0]=4 1455 B9R1.2 Cc1cccc(c1)OC TS32509 [1,1,0,0,0,0|2,0,0]=4 1456 B9R1.2 Cc1cccc(c1)[Mg]Br TS52067 [1,1,0,0,0,0|2,0,0]=4 1457 B9R1.2 Cc1cccc(c1)[Mg]Cl TS40952 [1,1,0,0,0,0|2,0,0]=4 1458 B9R1.2 Cc1cccc(n1)C=C TS04794 [1,1,0,0,0,0|2,0,0]=4 1459 B9R1.2 Cc1cccc(n1)C=O TS85261 [1,1,0,0,0,0|1,0,0]=3 1460 B9R1.2 Cc1cccc(n1)CO TS04961 [1,1,0,0,0,0|1,0,1]=4 1461 B9R1.2 Cc1ccnc(c1)C=O TS03178 [1,1,0,0,0,0|1,0,0]=3 1462 B9R1.2 Cc1ccnc(n1)C=O TS90032 [1,1,0,0,0,0|2,0,0]=4 1463 B9R1.2 Cc1nccc(n1)C=O TS02450 [1,1,0,0,0,0|2,0,0]=4 1464 B9R1.2 [C-]#[N+]c1cccc(c1)Br TS14867 [1,1,0,0,0,0|2,0,0]=4 1465 B9R1.2 c1c(cncc1Br)C=O TS16988 [1,1,0,0,0,0|1,0,0]=3 1466 B9R1.2 c1c(cncc1Br)CO TS16995 [1,1,0,0,0,0|1,0,1]=4 1467 B9R1.2 c1c(cncc1Cl)C=O TS37528 [1,1,0,0,0,0|1,0,0]=3 1468 B9R1.2 c1c(cncc1Cl)CO TS08050 [1,1,0,0,0,0|1,0,1]=4 1469 B9R1.2 c1c(cncc1F)C=O TS03322 [1,1,0,0,0,0|1,0,0]=3 1470 B9R1.2 c1c(cncc1F)CO TS86069 [1,1,0,0,0,0|1,0,1]=4 1471 B9R1.2 c1c(cncc1I)C=O TS25323 [1,1,0,0,0,0|1,0,0]=3 1472 B9R1.2 c1c(cncc1I)CO TS56598 [1,1,0,0,0,0|1,0,1]=4 1473 B9R1.2 c1c(cncc1N)CO TS32612 [1,1,0,0,0,0|1,0,1]=4 1474 B9R1.2 c1c(nc(cn1)Cl)C=O TS87072 [1,1,0,0,0,0|2,0,0]=4 1475 B9R1.2 c1c[nH]c(=O)cc1CO TS90976 [1,1,0,0,0,0|1,0,1]=4 1476 B9R1.2 c1cc(cc(c1)Br)C#N TS09482 [1,1,0,0,0,0|1,0,1]=4 1477 B9R1.2 c1cc(cc(c1)Br)C=O TS09477 [1,1,0,0,0,0|0,0,0]=2 1478 B9R1.2 c1cc(cc(c1)Br)CBr TS09487 [1,1,0,0,0,0|1,0,1]=4 1479 B9R1.2 c1cc(cc(c1)Br)CCl TS09488 [1,1,0,0,0,0|1,0,1]=4 1480 B9R1.2 c1cc(cc(c1)Br)CN TS09486 [1,1,0,0,0,0|1,0,1]=4 1481 B9R1.2 c1cc(cc(c1)Br)CN TS23568 [1,1,0,0,0,0|1,0,1]=4 1482 B9R1.2 c1cc(cc(c1)Br)CO TS09485 [1,1,0,0,0,0|0,0,1]=3 1483 B9R1.2 c1cc(cc(c1)Br)CS TS19525 [1,1,0,0,0,0|0,1,1]=4 1484 B9R1.2 c1cc(cc(c1)Br)NN TS65962 [1,1,0,0,0,0|2,0,0]=4 1485 B9R1.2 c1cc(cc(c1)Cl)C#N TS00143 [1,1,0,0,0,0|1,0,1]=4 1486 B9R1.2 c1cc(cc(c1)Cl)C=O TS00142 [1,1,0,0,0,0|0,0,0]=2 1487 B9R1.2 c1cc(cc(c1)Cl)CBr TS02030 [1,1,0,0,0,0|1,0,1]=4 1488 B9R1.2 c1cc(cc(c1)Cl)CCl TS01788 [1,1,0,0,0,0|1,0,1]=4 1489 B9R1.2 c1cc(cc(c1)Cl)CN TS02029 [1,1,0,0,0,0|1,0,1]=4 1490 B9R1.2 c1cc(cc(c1)Cl)CO TS02715 [1,1,0,0,0,0|0,0,1]=3 1491 B9R1.2 c1cc(cc(c1)Cl)[Mg]Br TS21954 [1,1,0,0,0,0|2,0,0]=4 1492 B9R1.2 c1cc(cc(c1)F)C#N TS70592 [1,1,0,0,0,0|1,0,1]=4 1493 B9R1.2 c1cc(cc(c1)F)C=O TS16744 [1,1,0,0,0,0|0,0,0]=2 1494 B9R1.2 c1cc(cc(c1)F)CBr TS70593 [1,1,0,0,0,0|1,0,1]=4 1495 B9R1.2 c1cc(cc(c1)F)CCl TS70594 [1,1,0,0,0,0|1,0,1]=4 1496 B9R1.2 c1cc(cc(c1)F)CN TS39435 [1,1,0,0,0,0|1,0,1]=4 1497 B9R1.2 c1cc(cc(c1)F)CO TS39434 [1,1,0,0,0,0|0,0,1]=3 1498 B9R1.2 c1cc(cc(c1)F)CS TS06688 [1,1,0,0,0,0|0,1,1]=4 1499 B9R1.2 c1cc(cc(c1)I)C#N TS70628 [1,1,0,0,0,0|1,0,1]=4 1500 B9R1.2 c1cc(cc(c1)I)C=O TS53246 [1,1,0,0,0,0|0,0,0]=2 1501 B9R1.2 c1cc(cc(c1)I)CBr TS70629 [1,1,0,0,0,0|1,0,1]=4 1502 B9R1.2 c1cc(cc(c1)I)CN TS53419 [1,1,0,0,0,0|1,0,1]=4 1503 B9R1.2 c1cc(cc(c1)I)CN TS73918 [1,1,0,0,0,0|1,0,1]=4 1504 B9R1.2 c1cc(cc(c1)I)CO TS53549 [1,1,0,0,0,0|0,0,1]=3 1505 B9R1.2 c1cc(cc(c1)N)C#N TS65877 [1,1,0,0,0,0|1,0,1]=4 1506 B9R1.2 c1cc(cc(c1)N)C=O TS04864 [1,1,0,0,0,0|0,0,0]=2 1507 B9R1.2 c1cc(cc(c1)N)C=O TS10917 [1,1,0,0,0,0|0,0,0]=2 1508 B9R1.2 c1cc(cc(c1)N)CN TS32516 [1,1,0,0,0,0|1,0,1]=4 1509 B9R1.2 c1cc(cc(c1)N)CO TS59603 [1,1,0,0,0,0|0,0,1]=3 1510 B9R1.2 c1cc(cc(c1)O)C#N TS02727 [1,1,0,0,0,0|1,0,1]=4 1511 B9R1.2 c1cc(cc(c1)O)C=O TS70619 [1,1,0,0,0,0|0,0,0]=2 1512 B9R1.2 c1cc(cc(c1)O)CBr TS49013 [1,1,0,0,0,0|1,0,1]=4 1513 B9R1.2 c1cc(cc(c1)O)CCl TS37687 [1,1,0,0,0,0|1,0,1]=4 1514 B9R1.2 c1cc(cc(c1)O)CO TS32602 [1,1,0,0,0,0|0,0,1]=3 1515 B9R1.2 c1cc(cc(c1)[Mg]Br)F TS37776 [1,1,0,0,0,0|2,0,0]=4 1516 B9R1.2 c1cc(cc(c1)[Zn+])C#N TS35725 [1,1,0,0,0,0|1,0,1]=4 1517 B9R1.2 c1cc(cn(=O)c1)CO TS05088 [1,1,0,0,0,0|1,0,1]=4 1518 B9R1.2 c1cc(nc(c1)Br)C=O TS16476 [1,1,0,0,0,0|1,0,0]=3 1519 B9R1.2 c1cc(nc(c1)Br)CO TS55136 [1,1,0,0,0,0|1,0,1]=4 1520 B9R1.2 c1cc(nc(c1)Cl)C=O TS55586 [1,1,0,0,0,0|1,0,0]=3 1521 B9R1.2 c1cc(nc(c1)Cl)CO TS46565 [1,1,0,0,0,0|1,0,1]=4 1522 B9R1.2 c1cc(nc(c1)Cl)CO TS55567 [1,1,0,0,0,0|1,0,1]=4 1523 B9R1.2 c1cc(nc(c1)F)C=O TS55360 [1,1,0,0,0,0|1,0,0]=3 1524 B9R1.2 c1cc(nc(c1)I)CO TS25668 [1,1,0,0,0,0|1,0,1]=4 1525 B9R1.2 c1cnc(cc1Br)C=O TS71011 [1,1,0,0,0,0|1,0,0]=3 1526 B9R1.2 c1cnc(cc1Br)CO TS08030 [1,1,0,0,0,0|1,0,1]=4 1527 B9R1.2 c1cnc(cc1C=O)Br TS00862 [1,1,0,0,0,0|1,0,0]=3 1528 B9R1.2 c1cnc(cc1C=O)Cl TS55217 [1,1,0,0,0,0|1,0,0]=3 1529 B9R1.2 c1cnc(cc1C=O)F TS01027 [1,1,0,0,0,0|1,0,0]=3 1530 B9R1.2 c1cnc(cc1C=O)N TS32497 [1,1,0,0,0,0|1,0,0]=3 1531 B9R1.2 c1cnc(cc1C=O)O TS55404 [1,1,0,0,0,0|1,0,0]=3 1532 B9R1.2 c1cnc(cc1CO)Br TS00864 [1,1,0,0,0,0|1,0,1]=4 1533 B9R1.2 c1cnc(cc1CO)Cl TS46504 [1,1,0,0,0,0|1,0,1]=4 1534 B9R1.2 c1cnc(cc1CO)F TS36210 [1,1,0,0,0,0|1,0,1]=4 1535 B9R1.2 c1cnc(cc1CO)N TS00819 [1,1,0,0,0,0|1,0,1]=4 1536 B9R1.2 c1cnc(cc1Cl)C=O TS09692 [1,1,0,0,0,0|1,0,0]=3 1537 B9R1.2 c1cnc(cc1Cl)CO TS08035 [1,1,0,0,0,0|1,0,1]=4 1538 B9R1.2 c1cnc(nc1C=O)Cl TS87068 [1,1,0,0,0,0|2,0,0]=4 1539 B9R1.8 C#CCc1ccccc1 TS32230 [1,1,0,0,0,0|1,0,1]=4 1540 B9R1.8 C=CC[n+]1ccccc1 TS37844 [1,1,0,0,0,0|2,0,0]=4 1541 B9R1.8 C=CCc1ccccc1 TS32347 [1,1,0,0,0,0|1,0,0]=3 1542 B9R1.8 C=CSc1ccccc1 TS06113 [1,1,0,0,0,0|1,0,0]=3 1543 B9R1.8 CC#Cc1ccccc1 TS04599 [1,1,0,0,0,0|1,0,1]=4 1544 B9R1.8 CC=Cc1ccccc1 TS32346 [1,1,0,0,0,0|1,0,0]=3 1545 B9R1.8 CCCc1ccccc1 TS04832 [1,1,0,0,0,0|1,0,1]=4 1546 B9R1.8 CCNc1ccccc1 TS04869 [1,1,0,0,0,0|1,0,1]=4 1547 B9R1.8 CCOc1ccccc1 TS04896 [1,1,0,0,0,0|1,0,1]=4 1548 B9R1.8 CCSc1ccccc1 TS06299 [1,1,0,0,0,0|1,0,1]=4 1549 B9R1.8 CNCc1ccccc1 TS01938 [1,1,0,0,0,0|1,0,1]=4 1550 B9R1.8 CNNc1ccccc1 TS85406 [1,1,0,0,0,0|2,0,0]=4 1551 B9R1.8 COCc1ccccc1 TS04897 [1,1,0,0,0,0|0,0,1]=3 1552 B9R1.8 COCc1ccccn1 TS00518 [1,1,0,0,0,0|1,0,1]=4 1553 B9R1.8 CSCc1ccccc1 TS06309 [1,1,0,0,0,0|0,1,1]=4 1554 B9R1.8 CSSc1ccccc1 TS41708 [1,1,0,0,0,0|1,1,0]=4 1555 B9R1.8 [C-]#[N+]Cc1ccccc1 TS04681 [1,1,0,0,0,0|1,0,1]=4 1556 B9R1.8 [Li]C#Cc1ccccc1 TS04133 [1,1,0,0,0,0|1,0,1]=4 1557 B9R1.8 c1cc(cnc1)C=NO TS32495 [1,1,0,0,0,0|1,0,0]=3 1558 B9R1.8 c1cc(cnc1)CCO TS39614 [1,1,0,0,0,0|1,0,1]=4 1559 B9R1.8 c1cc(cnc1)N=C=O TS32413 [1,1,0,0,0,0|1,0,1]=4 1560 B9R1.8 c1ccc(cc1)C#CBr TS48021 [1,1,0,0,0,0|1,0,1]=4 1561 B9R1.8 c1ccc(cc1)C=CBr TS48378 [1,1,0,0,0,0|1,0,0]=3 1562 B9R1.8 c1ccc(cc1)C=CCl TS37253 [1,1,0,0,0,0|1,0,0]=3 1563 B9R1.8 c1ccc(cc1)C=CN TS55760 [1,1,0,0,0,0|1,0,0]=3 1564 B9R1.8 c1ccc(cc1)C=N#N TS04720 [1,1,0,0,0,0|1,0,0]=3 1565 B9R1.8 c1ccc(cc1)C=NN TS04817 [1,1,0,0,0,0|1,0,0]=3 1566 B9R1.8 c1ccc(cc1)CC#N TS04678 [1,1,0,0,0,0|1,0,1]=4 1567 B9R1.8 c1ccc(cc1)CCBr TS15419 [1,1,0,0,0,0|1,0,1]=4 1568 B9R1.8 c1ccc(cc1)CCCl TS37454 [1,1,0,0,0,0|1,0,1]=4 1569 B9R1.8 c1ccc(cc1)CCI TS25156 [1,1,0,0,0,0|1,0,1]=4 1570 B9R1.8 c1ccc(cc1)CCN TS22602 [1,1,0,0,0,0|1,0,1]=4 1571 B9R1.8 c1ccc(cc1)CCN TS65627 [1,1,0,0,0,0|1,0,1]=4 1572 B9R1.8 c1ccc(cc1)CCO TS04901 [1,1,0,0,0,0|0,0,1]=3 1573 B9R1.8 c1ccc(cc1)CCS TS06307 [1,1,0,0,0,0|0,1,1]=4 1574 B9R1.8 c1ccc(cc1)CC[Zn+] TS62914 [1,1,0,0,0,0|1,0,1]=4 1575 B9R1.8 c1ccc(cc1)CNN TS09177 [1,1,0,0,0,0|1,0,1]=4 1576 B9R1.8 c1ccc(cc1)CNN TS21284 [1,1,0,0,0,0|1,0,1]=4 1577 B9R1.8 c1ccc(cc1)CNO TS01934 [1,1,0,0,0,0|0,0,1]=3 1578 B9R1.8 c1ccc(cc1)CNO TS93618 [1,1,0,0,0,0|0,0,1]=3 1579 B9R1.8 c1ccc(cc1)C[Mg]Br TS52066 [1,1,0,0,0,0|1,0,1]=4 1580 B9R1.8 c1ccc(cc1)C[Mg]Cl TS40953 [1,1,0,0,0,0|1,0,1]=4 1581 B9R1.8 c1ccc(cc1)N=C=O TS32396 [1,1,0,0,0,0|0,0,1]=3 1582 B9R1.8 c1ccc(cc1)N=C=S TS06000 [1,1,0,0,0,0|0,1,1]=4 1583 B9R1.8 c1ccc(cc1)N=[N+]=[N-] TS04781 [1,1,0,0,0,0|2,0,0]=4 1584 B9R1.8 c1ccc(cc1)NC=O TS04863 [1,1,0,0,0,0|0,0,0]=2 1585 B9R1.8 c1ccc(cc1)OC#N TS32392 [1,1,0,0,0,0|1,0,1]=4 1586 B9R1.8 c1ccc(cc1)OC=O TS32488 [1,1,0,0,0,0|0,0,0]=2 1587 B9R1.8 c1ccc(cc1)SCCl TS42004 [1,1,0,0,0,0|1,0,1]=4 1588 B9R1.8 c1ccc(cc1)[Se]C#N TS48175 [1,1,0,0,0,0|1,0,1]=4 1589 B9R1.8 c1ccc(cc1)[SiH2]CCl TS10803 [1,1,0,0,0,0|1,0,1]=4 1590 B9R1.8 c1ccnc(c1)C=NO TS53320 [1,1,0,0,0,0|1,0,0]=3 1591 B9R1.8 c1ccnc(c1)C=NO TS94195 [1,1,0,0,0,0|1,0,0]=3 1592 B9R1.8 c1ccnc(c1)CCO TS04967 [1,1,0,0,0,0|1,0,1]=4 1593 B9R1.8 c1ccnc(c1)NC=O TS32499 [1,1,0,0,0,0|1,0,0]=3 1594 B9R1.8 c1cnc(nc1)C=NO TS32554 [1,1,0,0,0,0|2,0,0]=4 1595 B9R1.8 c1cnccc1C=NO TS59376 [1,1,0,0,0,0|1,0,0]=3 1596 B9R1.8 c1cnccc1CCO TS70737 [1,1,0,0,0,0|1,0,1]=4 1597 B9R1.15 C#Cc1ccccc1Br TS48023 [1,1,0,0,0,0|1,0,1]=4 1598 B9R1.15 C#Cc1ccccc1Cl TS55288 [1,1,0,0,0,0|1,0,1]=4 1599 B9R1.15 C#Cc1ccccc1F TS77181 [1,1,0,0,0,0|1,0,1]=4 1600 B9R1.15 C#Cc1ccccc1O TS55318 [1,1,0,0,0,0|1,0,1]=4 1601 B9R1.15 C=Cc1ccccc1Br TS55173 [1,1,0,0,0,0|1,0,0]=3 1602 B9R1.15 C=Cc1ccccc1Cl TS00968 [1,1,0,0,0,0|1,0,0]=3 1603 B9R1.15 C=Cc1ccccc1F TS32504 [1,1,0,0,0,0|1,0,0]=3 1604 B9R1.15 C=Cc1ccccc1I TS24807 [1,1,0,0,0,0|1,0,0]=3 1605 B9R1.15 CCc1ccccc1Br TS15420 [1,1,0,0,0,0|1,0,1]=4 1606 B9R1.15 CCc1ccccc1C TS16337 [1,1,0,0,0,0|1,0,1]=4 1607 B9R1.15 CCc1ccccc1Cl TS37450 [1,1,0,0,0,0|1,0,1]=4 1608 B9R1.15 CCc1ccccc1I TS25157 [1,1,0,0,0,0|1,0,1]=4 1609 B9R1.15 CCc1ccccc1N TS32474 [1,1,0,0,0,0|1,0,1]=4 1610 B9R1.15 CCc1ccccc1O TS04900 [1,1,0,0,0,0|1,0,1]=4 1611 B9R1.15 CCc1ccccc1S TS06304 [1,1,0,0,0,0|1,0,1]=4 1612 B9R1.15 CNc1ccccc1Cl TS37531 [1,1,0,0,0,0|2,0,0]=4 1613 B9R1.15 CNc1ccccc1F TS56413 [1,1,0,0,0,0|2,0,0]=4 1614 B9R1.15 CNc1ccccc1N TS01587 [1,1,0,0,0,0|2,0,0]=4 1615 B9R1.15 CNc1ccccc1N TS41998 [1,1,0,0,0,0|2,0,0]=4 1616 B9R1.15 CNc1ccccc1N TS60152 [1,1,0,0,0,0|2,0,0]=4 1617 B9R1.15 CNc1ccccc1O TS04968 [1,1,0,0,0,0|2,0,0]=4 1618 B9R1.15 COc1ccccc1Br TS00023 [1,1,0,0,0,0|2,0,0]=4 1619 B9R1.15 COc1ccccc1Cl TS37688 [1,1,0,0,0,0|2,0,0]=4 1620 B9R1.15 COc1ccccc1F TS60288 [1,1,0,0,0,0|2,0,0]=4 1621 B9R1.15 COc1ccccc1I TS09308 [1,1,0,0,0,0|2,0,0]=4 1622 B9R1.15 COc1ccccc1N TS29238 [1,1,0,0,0,0|2,0,0]=4 1623 B9R1.15 COc1ccccc1N TS59329 [1,1,0,0,0,0|2,0,0]=4 1624 B9R1.15 COc1ccccc1P TS06425 [1,1,0,0,0,0|2,0,0]=4 1625 B9R1.15 COc1ccccc1S TS37393 [1,1,0,0,0,0|2,0,0]=4 1626 B9R1.15 COc1ccccc1[Zn+] TS74540 [1,1,0,0,0,0|2,0,0]=4 1627 B9R1.15 CSc1ccccc1Br TS19526 [1,1,0,0,0,0|2,0,0]=4 1628 B9R1.15 CSc1ccccc1Cl TS42002 [1,1,0,0,0,0|2,0,0]=4 1629 B9R1.15 CSc1ccccc1F TS06689 [1,1,0,0,0,0|2,0,0]=4 1630 B9R1.15 CSc1ccccc1I TS27990 [1,1,0,0,0,0|2,0,0]=4 1631 B9R1.15 CSc1ccccc1O TS37395 [1,1,0,0,0,0|2,0,0]=4 1632 B9R1.15 CSc1ccccc1[Zn+] TS76795 [1,1,0,0,0,0|2,0,0]=4 1633 B9R1.15 Cc1c(cccn1)C=O TS02436 [1,1,0,0,0,0|1,0,0]=3 1634 B9R1.15 Cc1c(cccn1)CO TS04969 [1,1,0,0,0,0|1,0,1]=4 1635 B9R1.15 Cc1c(nccn1)C=O TS86293 [1,1,0,0,0,0|2,0,0]=4 1636 B9R1.15 Cc1ccccc1C#C TS02442 [1,1,0,0,0,0|1,0,1]=4 1637 B9R1.15 Cc1ccccc1C#N TS04680 [1,1,0,0,0,0|1,0,1]=4 1638 B9R1.15 Cc1ccccc1C=C TS02453 [1,1,0,0,0,0|1,0,0]=3 1639 B9R1.15 Cc1ccccc1C=O TS04808 [1,1,0,0,0,0|0,0,0]=2 1640 B9R1.15 Cc1ccccc1CBr TS01133 [1,1,0,0,0,0|1,0,1]=4 1641 B9R1.15 Cc1ccccc1CCl TS37456 [1,1,0,0,0,0|1,0,1]=4 1642 B9R1.15 Cc1ccccc1CN TS04867 [1,1,0,0,0,0|1,0,1]=4 1643 B9R1.15 Cc1ccccc1CO TS04907 [1,1,0,0,0,0|0,0,1]=3 1644 B9R1.15 Cc1ccccc1CS TS06308 [1,1,0,0,0,0|0,1,1]=4 1645 B9R1.15 Cc1ccccc1NC TS32471 [1,1,0,0,0,0|2,0,0]=4 1646 B9R1.15 Cc1ccccc1NN TS60156 [1,1,0,0,0,0|2,0,0]=4 1647 B9R1.15 Cc1ccccc1OC TS32508 [1,1,0,0,0,0|2,0,0]=4 1648 B9R1.15 Cc1ccccc1[Mg]Br TS52065 [1,1,0,0,0,0|2,0,0]=4 1649 B9R1.15 Cc1ccccc1[Mg]Cl TS40954 [1,1,0,0,0,0|2,0,0]=4 1650 B9R1.15 Cc1cccnc1C=O TS70677 [1,1,0,0,0,0|1,0,0]=3 1651 B9R1.15 Cc1cccnc1CO TS04977 [1,1,0,0,0,0|1,0,1]=4 1652 B9R1.15 Cc1ccncc1C=O TS32454 [1,1,0,0,0,0|1,0,0]=3 1653 B9R1.15 Cc1ccncc1CO TS04980 [1,1,0,0,0,0|1,0,1]=4 1654 B9R1.15 Cc1cnccc1C=O TS02833 [1,1,0,0,0,0|1,0,0]=3 1655 B9R1.15 Cc1cnccc1CO TS91100 [1,1,0,0,0,0|1,0,1]=4 1656 B9R1.15 [C-]#[N+]c1ccccc1Br TS14868 [1,1,0,0,0,0|2,0,0]=4 1657 B9R1.15 [C-]#[N+]c1ccccc1Cl TS37133 [1,1,0,0,0,0|2,0,0]=4 1658 B9R1.15 c1cc(c(nc1)Br)C=O TS08314 [1,1,0,0,0,0|1,0,0]=3 1659 B9R1.15 c1cc(c(nc1)C=O)Cl TS85387 [1,1,0,0,0,0|1,0,0]=3 1660 B9R1.15 c1cc(c(nc1)C=O)F TS70563 [1,1,0,0,0,0|1,0,0]=3 1661 B9R1.15 c1cc(c(nc1)C=O)N TS32498 [1,1,0,0,0,0|1,0,0]=3 1662 B9R1.15 c1cc(c(nc1)C=O)O TS02794 [1,1,0,0,0,0|1,0,0]=3 1663 B9R1.15 c1cc(c(nc1)CO)F TS88540 [1,1,0,0,0,0|1,0,1]=4 1664 B9R1.15 c1cc(c(nc1)CO)N TS05011 [1,1,0,0,0,0|1,0,1]=4 1665 B9R1.15 c1cc(c(nc1)CO)O TS55400 [1,1,0,0,0,0|1,0,1]=4 1666 B9R1.15 c1cc(c(nc1)CO)O TS70604 [1,1,0,0,0,0|1,0,1]=4 1667 B9R1.15 c1cc(c(nc1)Cl)C=O TS55210 [1,1,0,0,0,0|1,0,0]=3 1668 B9R1.15 c1cc(c(nc1)Cl)CO TS55211 [1,1,0,0,0,0|1,0,1]=4 1669 B9R1.15 c1cc(c(nc1)F)C=O TS55324 [1,1,0,0,0,0|1,0,0]=3 1670 B9R1.15 c1cc(c(nc1)F)CO TS55320 [1,1,0,0,0,0|1,0,1]=4 1671 B9R1.15 c1cc(c(nc1)N)CO TS47364 [1,1,0,0,0,0|1,0,1]=4 1672 B9R1.15 c1cc(c(nc1)O)C=O TS09407 [1,1,0,0,0,0|1,0,0]=3 1673 B9R1.15 c1ccc(c(c1)C#N)Br TS08819 [1,1,0,0,0,0|1,0,1]=4 1674 B9R1.15 c1ccc(c(c1)C#N)Cl TS37134 [1,1,0,0,0,0|1,0,1]=4 1675 B9R1.15 c1ccc(c(c1)C#N)F TS01022 [1,1,0,0,0,0|1,0,1]=4 1676 B9R1.15 c1ccc(c(c1)C#N)I TS60301 [1,1,0,0,0,0|1,0,1]=4 1677 B9R1.15 c1ccc(c(c1)C#N)N TS47464 [1,1,0,0,0,0|1,0,1]=4 1678 B9R1.15 c1ccc(c(c1)C#N)O TS09306 [1,1,0,0,0,0|1,0,1]=4 1679 B9R1.15 c1ccc(c(c1)C#N)[Zn+] TS27646 [1,1,0,0,0,0|1,0,1]=4 1680 B9R1.15 c1ccc(c(c1)C=O)Br TS55151 [1,1,0,0,0,0|0,0,0]=2 1681 B9R1.15 c1ccc(c(c1)C=O)Cl TS00949 [1,1,0,0,0,0|0,0,0]=2 1682 B9R1.15 c1ccc(c(c1)C=O)F TS01019 [1,1,0,0,0,0|0,0,0]=2 1683 B9R1.15 c1ccc(c(c1)C=O)I TS02011 [1,1,0,0,0,0|0,0,0]=2 1684 B9R1.15 c1ccc(c(c1)C=O)N TS10911 [1,1,0,0,0,0|0,0,0]=2 1685 B9R1.15 c1ccc(c(c1)C=O)N TS47463 [1,1,0,0,0,0|0,0,0]=2 1686 B9R1.15 c1ccc(c(c1)C=O)O TS32489 [1,1,0,0,0,0|0,0,0]=2 1687 B9R1.15 c1ccc(c(c1)CBr)Br TS55159 [1,1,0,0,0,0|1,0,1]=4 1688 B9R1.15 c1ccc(c(c1)CBr)Cl TS20044 [1,1,0,0,0,0|1,0,1]=4 1689 B9R1.15 c1ccc(c(c1)CBr)F TS01023 [1,1,0,0,0,0|1,0,1]=4 1690 B9R1.15 c1ccc(c(c1)CBr)I TS01081 [1,1,0,0,0,0|1,0,1]=4 1691 B9R1.15 c1ccc(c(c1)CBr)O TS49014 [1,1,0,0,0,0|1,0,1]=4 1692 B9R1.15 c1ccc(c(c1)CCl)Br TS20043 [1,1,0,0,0,0|1,0,1]=4 1693 B9R1.15 c1ccc(c(c1)CCl)Cl TS11356 [1,1,0,0,0,0|1,0,1]=4 1694 B9R1.15 c1ccc(c(c1)CCl)F TS55731 [1,1,0,0,0,0|1,0,1]=4 1695 B9R1.15 c1ccc(c(c1)CN)Br TS23567 [1,1,0,0,0,0|1,0,1]=4 1696 B9R1.15 c1ccc(c(c1)CN)Br TS55158 [1,1,0,0,0,0|1,0,1]=4 1697 B9R1.15 c1ccc(c(c1)CN)Cl TS37533 [1,1,0,0,0,0|1,0,1]=4 1698 B9R1.15 c1ccc(c(c1)CN)F TS65429 [1,1,0,0,0,0|1,0,1]=4 1699 B9R1.15 c1ccc(c(c1)CN)I TS53416 [1,1,0,0,0,0|1,0,1]=4 1700 B9R1.15 c1ccc(c(c1)CN)N TS39642 [1,1,0,0,0,0|1,0,1]=4 1701 B9R1.15 c1ccc(c(c1)CN)O TS04954 [1,1,0,0,0,0|1,0,1]=4 1702 B9R1.15 c1ccc(c(c1)CO)Br TS55157 [1,1,0,0,0,0|0,0,1]=3 1703 B9R1.15 c1ccc(c(c1)CO)Cl TS37683 [1,1,0,0,0,0|0,0,1]=3 1704 B9R1.15 c1ccc(c(c1)CO)F TS36110 [1,1,0,0,0,0|0,0,1]=3 1705 B9R1.15 c1ccc(c(c1)CO)I TS01080 [1,1,0,0,0,0|0,0,1]=3 1706 B9R1.15 c1ccc(c(c1)CO)N TS47468 [1,1,0,0,0,0|0,0,1]=3 1707 B9R1.15 c1ccc(c(c1)CO)O TS32604 [1,1,0,0,0,0|0,0,1]=3 1708 B9R1.15 c1ccc(c(c1)CO)S TS37394 [1,1,0,0,0,0|0,0,1]=3 1709 B9R1.15 c1ccc(c(c1)CS)Br TS19524 [1,1,0,0,0,0|0,1,1]=4 1710 B9R1.15 c1ccc(c(c1)CS)Cl TS42000 [1,1,0,0,0,0|0,1,1]=4 1711 B9R1.15 c1ccc(c(c1)CS)F TS06685 [1,1,0,0,0,0|0,1,1]=4 1712 B9R1.15 c1ccc(c(c1)NN)Br TS08822 [1,1,0,0,0,0|2,0,0]=4 1713 B9R1.15 c1ccc(c(c1)NN)Br TS65388 [1,1,0,0,0,0|2,0,0]=4 1714 B9R1.15 c1ccc(c(c1)NN)F TS01033 [1,1,0,0,0,0|2,0,0]=4 1715 B9R1.15 c1ccc(c(c1)NN)F TS01034 [1,1,0,0,0,0|2,0,0]=4 1716 B9R1.15 c1ccc(c(c1)O)[Hg]Cl TS77784 [1,1,0,0,0,0|2,0,0]=4 1717 B9R1.15 c1cnc(c(n1)C=O)Cl TS66006 [1,1,0,0,0,0|2,0,0]=4 1718 B9R1.15 c1cnc(c(n1)C=O)N TS85705 [1,1,0,0,0,0|2,0,0]=4 1719 B9R1.15 c1cncc(c1Br)C=O TS09580 [1,1,0,0,0,0|1,0,0]=3 1720 B9R1.15 c1cncc(c1C=O)Br TS48819 [1,1,0,0,0,0|1,0,0]=3 1721 B9R1.15 c1cncc(c1C=O)Cl TS02716 [1,1,0,0,0,0|1,0,0]=3 1722 B9R1.15 c1cncc(c1C=O)F TS36047 [1,1,0,0,0,0|1,0,0]=3 1723 B9R1.15 c1cncc(c1C=O)N TS32500 [1,1,0,0,0,0|1,0,0]=3 1724 B9R1.15 c1cncc(c1C=O)O TS02800 [1,1,0,0,0,0|1,0,0]=3 1725 B9R1.15 c1cncc(c1CO)Br TS87802 [1,1,0,0,0,0|1,0,1]=4 1726 B9R1.15 c1cncc(c1CO)F TS90447 [1,1,0,0,0,0|1,0,1]=4 1727 B9R1.15 c1cncc(c1CO)N TS05021 [1,1,0,0,0,0|1,0,1]=4 1728 B9R1.15 c1cncc(c1CO)O TS05089 [1,1,0,0,0,0|1,0,1]=4 1729 B9R1.15 c1cncc(c1Cl)C=O TS09675 [1,1,0,0,0,0|1,0,0]=3 1730 B9R1.15 c1cncc(c1Cl)CO TS08032 [1,1,0,0,0,0|1,0,1]=4 1731 B9R1.15 c1cncc(c1F)C=O TS33163 [1,1,0,0,0,0|1,0,0]=3 1732 B9R1.15 c1cncc(c1N)C=O TS70883 [1,1,0,0,0,0|1,0,0]=3 1733 B9R1.15 c1cncc(c1N)CO TS32608 [1,1,0,0,0,0|1,0,1]=4 1734 B9R1.11 CC(=NO)c1ccco1 TS05079 [0,1,0,0,1,0|2,0,0]=4 1735 B9R1.11 CCC(=O)c1ccco1 TS07974 [0,1,0,0,1,0|2,0,0]=4 1736 B9R1.11 CCC(=O)c1cccs1 TS37392 [0,1,0,0,1,0|2,0,0]=4 1737 B9R1.11 COC(=O)c1[nH]ccn1 TS87683 [0,1,0,0,1,0|2,0,0]=4 1738 B9R1.11 COC(=O)c1c[nH]cn1 TS01547 [0,1,0,0,1,0|2,0,0]=4 1739 B9R1.11 COC(=O)c1c[nH]nc1 TS36104 [0,1,0,0,1,0|2,0,0]=4 1740 B9R1.11 COC(=O)c1cc[nH]n1 TS01548 [0,1,0,0,1,0|2,0,0]=4 1741 B9R1.11 COC(=O)c1ccc[nH]1 TS01549 [0,1,0,0,1,0|1,0,0]=3 1742 B9R1.11 COC(=O)c1ccco1 TS56258 [0,1,0,0,1,0|1,0,0]=3 1743 B9R1.11 COC(=O)c1cccs1 TS37577 [0,1,0,0,1,0|1,0,0]=3 1744 B9R1.11 COC(=O)c1cccs1 TS37579 [0,1,0,0,1,0|1,0,0]=3 1745 B9R1.11 COC(=O)c1ccns1 TS56200 [0,1,0,0,1,0|2,0,0]=4 1746 B9R1.11 COC(=O)c1ccoc1 TS00187 [0,1,0,0,1,0|1,0,0]=3 1747 B9R1.11 COC(=O)c1ccsc1 TS37576 [0,1,0,0,1,0|1,0,0]=3 1748 B9R1.11 COC(=O)c1cncs1 TS01561 [0,1,0,0,1,0|2,0,0]=4 1749 B9R1.11 COC(=O)c1cnoc1 TS05236 [0,1,0,0,1,0|2,0,0]=4 1750 B9R1.11 COC(=O)c1cscn1 TS01560 [0,1,0,0,1,0|2,0,0]=4 1751 B9R1.11 COC(=O)n1cccc1 TS05085 [0,1,0,0,1,0|1,0,0]=3 1752 B9R1.11 c1cc([nH]c1)C(=O)CCl TS40119 [0,1,0,0,1,0|2,0,0]=4 1753 B9R1.11 c1cc(oc1)C(=N)NO TS36105 [0,1,0,0,1,0|2,0,0]=4 1754 B9R1.11 c1cc(oc1)C(=O)NN TS36103 [0,1,0,0,1,0|2,0,0]=4 1755 B9R1.11 c1cc(sc1)C(=NO)N TS37586 [0,1,0,0,1,0|2,0,0]=4 1756 B9R1.11 c1cc(sc1)C(=O)CBr TS47079 [0,1,0,0,1,0|2,0,0]=4 1757 B9R1.11 c1cc(sc1)C(=O)CCl TS42252 [0,1,0,0,1,0|2,0,0]=4 1758 B9R1.11 c1cc(sc1)C(=O)NN TS37584 [0,1,0,0,1,0|2,0,0]=4 1759 B9R1.11 c1cscc1C(=O)CBr TS09435 [0,1,0,0,1,0|2,0,0]=4 1760 B9R1.11 c1cscc1C(=O)NN TS37589 [0,1,0,0,1,0|2,0,0]=4 1761 B9R1.35 CC(=O)c1cc(c[nH]1)I TS25669 [0,1,0,0,1,0|2,0,0]=4 1762 B9R1.35 CC(=O)c1cc(cs1)Br TS38755 [0,1,0,0,1,0|2,0,0]=4 1763 B9R1.35 CC(=O)c1cc(cs1)Cl TS42250 [0,1,0,0,1,0|2,0,0]=4 1764 B9R1.35 CC(=O)c1cc(sc1)Cl TS42251 [0,1,0,0,1,0|2,0,0]=4 1765 B9R1.35 CC(=O)c1ccc(o1)Br TS16113 [0,1,0,0,1,0|2,0,0]=4 1766 B9R1.35 CC(=O)c1ccc(s1)Br TS38753 [0,1,0,0,1,0|2,0,0]=4 1767 B9R1.35 CC(=O)c1ccc(s1)Cl TS42247 [0,1,0,0,1,0|2,0,0]=4 1768 B9R1.35 CC(=O)c1ccc(s1)I TS63069 [0,1,0,0,1,0|2,0,0]=4 1769 B9R1.35 CC(=O)c1ccn(c1)C TS04957 [0,1,0,0,1,0|2,0,0]=4 1770 B9R1.35 Cc1cc([nH]c1)C(=O)O TS05086 [0,1,0,0,1,0|1,0,0]=3 1771 B9R1.35 Cc1cc([nH]n1)C(=O)O TS05140 [0,1,0,0,1,0|2,0,0]=4 1772 B9R1.35 Cc1cc(cs1)C(=O)O TS86569 [0,1,0,0,1,0|1,0,0]=3 1773 B9R1.35 Cc1cc(n[nH]1)C(=O)O TS39782 [0,1,0,0,1,0|2,0,0]=4 1774 B9R1.35 Cc1cc(no1)C(=O)O TS08888 [0,1,0,0,1,0|2,0,0]=4 1775 B9R1.35 Cc1cc(on1)C(=O)O TS70668 [0,1,0,0,1,0|2,0,0]=4 1776 B9R1.35 Cc1cc(sc1)C(=O)C TS37391 [0,1,0,0,1,0|2,0,0]=4 1777 B9R1.35 Cc1cc(sc1)C(=O)Cl TS11337 [0,1,0,0,1,0|2,0,0]=4 1778 B9R1.35 Cc1cc(sc1)C(=O)O TS37578 [0,1,0,0,1,0|1,0,0]=3 1779 B9R1.35 Cc1ccc([nH]1)C(=O)O TS05087 [0,1,0,0,1,0|1,0,0]=3 1780 B9R1.35 Cc1ccc(o1)C(=O)C TS32605 [0,1,0,0,1,0|2,0,0]=4 1781 B9R1.35 Cc1ccc(o1)C(=O)Cl TS40261 [0,1,0,0,1,0|2,0,0]=4 1782 B9R1.35 Cc1ccc(o1)C(=O)O TS39783 [0,1,0,0,1,0|1,0,0]=3 1783 B9R1.35 Cc1ccc(s1)C(=O)C TS08249 [0,1,0,0,1,0|2,0,0]=4 1784 B9R1.35 Cc1ccc(s1)C(=O)O TS55485 [0,1,0,0,1,0|1,0,0]=3 1785 B9R1.35 Cc1cnc(s1)C(=O)O TS55483 [0,1,0,0,1,0|2,0,0]=4 1786 B9R1.35 Cc1csc(n1)C(=O)O TS71242 [0,1,0,0,1,0|2,0,0]=4 1787 B9R1.35 Cc1nc(co1)C(=O)O TS05235 [0,1,0,0,1,0|2,0,0]=4 1788 B9R1.35 Cc1nc(cs1)C(=O)O TS46423 [0,1,0,0,1,0|2,0,0]=4 1789 B9R1.35 Cc1ncc(s1)C(=O)O TS55463 [0,1,0,0,1,0|2,0,0]=4 1790 B9R1.35 Cc1ncc(s1)C(=O)O TS60684 [0,1,0,0,1,0|2,0,0]=4 1791 B9R1.35 Cn1cc(cn1)C(=O)O TS00049 [0,1,0,0,1,0|2,0,0]=4 1792 B9R1.35 Cn1cc(nc1)C(=O)O TS00491 [0,1,0,0,1,0|2,0,0]=4 1793 B9R1.35 Cn1ccc(n1)C(=O)O TS17342 [0,1,0,0,1,0|2,0,0]=4 1794 B9R1.35 Cn1ccc(n1)C(=O)O TS90252 [0,1,0,0,1,0|2,0,0]=4 1795 B9R1.35 c1c([nH]c(=O)[nH]1)C(=O)O TS05309 [0,1,0,0,1,0|2,0,0]=4 1796 B9R1.35 c1c(c[nH]c1C(=O)O)Br TS70941 [0,1,0,0,1,0|1,0,0]=3 1797 B9R1.35 c1c(csc1Br)C(=O)O TS88084 [0,1,0,0,1,0|1,0,0]=3 1798 B9R1.35 c1c(csc1C(=O)Cl)Br TS24055 [0,1,0,0,1,0|2,0,0]=4 1799 B9R1.35 c1c(csc1C(=O)O)Br TS56357 [0,1,0,0,1,0|1,0,0]=3 1800 B9R1.35 c1c(csc1C(=O)O)Cl TS42530 [0,1,0,0,1,0|1,0,0]=3 1801 B9R1.35 c1c(csc1C(=O)O)F TS09710 [0,1,0,0,1,0|1,0,0]=3 1802 B9R1.35 c1c(csc1C(=O)O)N TS14480 [0,1,0,0,1,0|1,0,0]=3 1803 B9R1.35 c1c(csc1Cl)C(=O)O TS71528 [0,1,0,0,1,0|1,0,0]=3 1804 B9R1.35 c1c(csc1F)C(=O)O TS87661 [0,1,0,0,1,0|1,0,0]=3 1805 B9R1.35 c1c(n[nH]c1N)C(=O)O TS05251 [0,1,0,0,1,0|2,0,0]=4 1806 B9R1.35 c1c(nc([nH]1)C(=O)O)N TS05239 [0,1,0,0,1,0|2,0,0]=4 1807 B9R1.35 c1c(nc(o1)Br)C(=O)O TS86742 [0,1,0,0,1,0|2,0,0]=4 1808 B9R1.35 c1c(nc(o1)Cl)C(=O)O TS07386 [0,1,0,0,1,0|2,0,0]=4 1809 B9R1.35 c1c(nc(s1)Br)C(=O)O TS55110 [0,1,0,0,1,0|2,0,0]=4 1810 B9R1.35 c1c(nc(s1)C(=O)O)Br TS91199 [0,1,0,0,1,0|2,0,0]=4 1811 B9R1.35 c1c(nc(s1)N)C(=O)O TS08270 [0,1,0,0,1,0|2,0,0]=4 1812 B9R1.35 c1c(nc(s1)N)C(=O)O TS55048 [0,1,0,0,1,0|2,0,0]=4 1813 B9R1.35 c1c(sc(n1)Br)C(=O)O TS55178 [0,1,0,0,1,0|2,0,0]=4 1814 B9R1.35 c1c(sc(n1)C(=O)O)Br TS90897 [0,1,0,0,1,0|2,0,0]=4 1815 B9R1.35 c1c(sc(n1)C(=O)O)Cl TS89631 [0,1,0,0,1,0|2,0,0]=4 1816 B9R1.35 c1c(sc(n1)C(=O)O)N TS91372 [0,1,0,0,1,0|2,0,0]=4 1817 B9R1.35 c1c(sc(n1)C(=O)O)N TS92537 [0,1,0,0,1,0|2,0,0]=4 1818 B9R1.35 c1c(sc(n1)N)C(=O)O TS55050 [0,1,0,0,1,0|2,0,0]=4 1819 B9R1.35 c1cc([nH]c1C(=O)N)Br TS91618 [0,1,0,0,1,0|2,0,0]=4 1820 B9R1.35 c1cc(oc1C(=O)Cl)Br TS20789 [0,1,0,0,1,0|2,0,0]=4 1821 B9R1.35 c1cc(oc1C(=O)O)Br TS71460 [0,1,0,0,1,0|1,0,0]=3 1822 B9R1.35 c1cc(oc1C(=O)O)Cl TS65152 [0,1,0,0,1,0|1,0,0]=3 1823 B9R1.35 c1cc(oc1C(=O)O)N TS05237 [0,1,0,0,1,0|1,0,0]=3 1824 B9R1.35 c1cc(sc1C(=O)Cl)Cl TS48026 [0,1,0,0,1,0|2,0,0]=4 1825 B9R1.35 c1cc(sc1C(=O)N)Cl TS42360 [0,1,0,0,1,0|2,0,0]=4 1826 B9R1.35 c1cc(sc1C(=O)O)Br TS57243 [0,1,0,0,1,0|1,0,0]=3 1827 B9R1.35 c1cc(sc1C(=O)O)Br TS71471 [0,1,0,0,1,0|1,0,0]=3 1828 B9R1.35 c1cc(sc1C(=O)O)Cl TS71525 [0,1,0,0,1,0|1,0,0]=3 1829 B9R1.35 c1cc(sc1C(=O)O)F TS40370 [0,1,0,0,1,0|1,0,0]=3 1830 B9R1.41 CC(=O)c1c(ccs1)Br TS38751 [0,1,0,0,1,0|2,0,0]=4 1831 B9R1.41 CC(=O)c1c(ccs1)Cl TS42249 [0,1,0,0,1,0|2,0,0]=4 1832 B9R1.41 CC(=O)c1c(ccs1)N TS47344 [0,1,0,0,1,0|2,0,0]=4 1833 B9R1.41 CC(=O)c1cccn1C TS04953 [0,1,0,0,1,0|2,0,0]=4 1834 B9R1.41 Cc1c(c[nH]n1)C(=O)O TS05143 [0,1,0,0,1,0|2,0,0]=4 1835 B9R1.41 Cc1c(cco1)C(=O)Cl TS40263 [0,1,0,0,1,0|2,0,0]=4 1836 B9R1.41 Cc1c(cco1)C(=O)O TS05139 [0,1,0,0,1,0|1,0,0]=3 1837 B9R1.41 Cc1c(ccs1)C(=O)N TS37500 [0,1,0,0,1,0|2,0,0]=4 1838 B9R1.41 Cc1c(cno1)C(=O)O TS39785 [0,1,0,0,1,0|2,0,0]=4 1839 B9R1.41 Cc1c(con1)C(=O)O TS02851 [0,1,0,0,1,0|2,0,0]=4 1840 B9R1.41 Cc1c(nco1)C(=O)O TS55474 [0,1,0,0,1,0|2,0,0]=4 1841 B9R1.41 Cc1c(ncs1)C(=O)O TS55484 [0,1,0,0,1,0|2,0,0]=4 1842 B9R1.41 Cc1c(ocn1)C(=O)O TS03173 [0,1,0,0,1,0|2,0,0]=4 1843 B9R1.41 Cc1c(scn1)C(=O)O TS71243 [0,1,0,0,1,0|2,0,0]=4 1844 B9R1.41 Cc1c[nH]cc1C(=O)C TS01987 [0,1,0,0,1,0|2,0,0]=4 1845 B9R1.41 Cc1ccoc1C(=O)Cl TS40264 [0,1,0,0,1,0|2,0,0]=4 1846 B9R1.41 Cc1ccoc1C(=O)O TS70657 [0,1,0,0,1,0|1,0,0]=3 1847 B9R1.41 Cc1ccsc1C(=O)C TS37389 [0,1,0,0,1,0|2,0,0]=4 1848 B9R1.41 Cc1ccsc1C(=O)Cl TS42248 [0,1,0,0,1,0|2,0,0]=4 1849 B9R1.41 Cc1ccsc1C(=O)N TS37501 [0,1,0,0,1,0|2,0,0]=4 1850 B9R1.41 Cc1ccsc1C(=O)O TS70685 [0,1,0,0,1,0|1,0,0]=3 1851 B9R1.41 Cc1cnoc1C(=O)O TS03172 [0,1,0,0,1,0|2,0,0]=4 1852 B9R1.41 Cc1conc1C(=O)O TS05238 [0,1,0,0,1,0|2,0,0]=4 1853 B9R1.41 Cn1c(ccn1)C(=O)O TS16656 [0,1,0,0,1,0|2,0,0]=4 1854 B9R1.41 Cn1cccc1C(=O)O TS46984 [0,1,0,0,1,0|1,0,0]=3 1855 B9R1.41 Cn1ccnc1C(=O)O TS00468 [0,1,0,0,1,0|2,0,0]=4 1856 B9R1.41 Cn1cncc1C(=O)O TS00470 [0,1,0,0,1,0|2,0,0]=4 1857 B9R1.41 c1c(c(cs1)Br)C(=O)O TS09619 [0,1,0,0,1,0|1,0,0]=3 1858 B9R1.41 c1c(c(n[nH]1)C(=O)O)Br TS17204 [0,1,0,0,1,0|2,0,0]=4 1859 B9R1.41 c1c(c(n[nH]1)N)C(=O)O TS46439 [0,1,0,0,1,0|2,0,0]=4 1860 B9R1.41 c1c(c(ns1)Cl)C(=O)O TS42651 [0,1,0,0,1,0|2,0,0]=4 1861 B9R1.41 c1cc(n(c1)N)C(=O)N TS89649 [0,1,0,0,1,0|2,0,0]=4 1862 B9R1.41 c1coc(c1Br)C(=O)O TS51224 [0,1,0,0,1,0|1,0,0]=3 1863 B9R1.41 c1coc(c1C(=O)O)Br TS17203 [0,1,0,0,1,0|1,0,0]=3 1864 B9R1.41 c1csc(c1Br)C(=O)Cl TS24054 [0,1,0,0,1,0|2,0,0]=4 1865 B9R1.41 c1csc(c1Br)C(=O)N TS20092 [0,1,0,0,1,0|2,0,0]=4 1866 B9R1.41 c1csc(c1Br)C(=O)O TS09502 [0,1,0,0,1,0|1,0,0]=3 1867 B9R1.41 c1csc(c1C(=O)N)N TS40037 [0,1,0,0,1,0|2,0,0]=4 1868 B9R1.41 c1csc(c1C(=O)O)Br TS08315 [0,1,0,0,1,0|1,0,0]=3 1869 B9R1.41 c1csc(c1C(=O)O)Cl TS00972 [0,1,0,0,1,0|1,0,0]=3 1870 B9R1.41 c1csc(c1C(=O)O)F TS07162 [0,1,0,0,1,0|1,0,0]=3 1871 B9R1.41 c1csc(c1C(=O)O)N TS55051 [0,1,0,0,1,0|1,0,0]=3 1872 B9R1.41 c1csc(c1Cl)C(=O)Cl TS48025 [0,1,0,0,1,0|2,0,0]=4 1873 B9R1.41 c1csc(c1Cl)C(=O)N TS42361 [0,1,0,0,1,0|2,0,0]=4 1874 B9R1.41 c1csc(c1Cl)C(=O)O TS42529 [0,1,0,0,1,0|1,0,0]=3 1875 B9R1.41 c1csc(c1F)C(=O)O TS70577 [0,1,0,0,1,0|1,0,0]=3 1876 B9R1.41 c1csc(c1I)C(=O)O TS28552 [0,1,0,0,1,0|1,0,0]=3 1877 B9R1.41 c1csc(c1N)C(=O)N TS37588 [0,1,0,0,1,0|2,0,0]=4 1878 B9R1.41 c1csc(c1N)C(=O)O TS14481 [0,1,0,0,1,0|1,0,0]=3 1879 B9R1.41 c1csc(c1N)C(=O)O TS40071 [0,1,0,0,1,0|1,0,0]=3 1880 B9R1.41 c1csc(c1O)C(=O)O TS40161 [0,1,0,0,1,0|1,0,0]=3 1881 B9R1.41 c1nc(c(s1)Br)C(=O)O TS71468 [0,1,0,0,1,0|2,0,0]=4 1882 B9R1.41 c1nc(c(s1)C(=O)O)Cl TS71047 [0,1,0,0,1,0|2,0,0]=4 1883 B11R1.20 CC(=O)Cc1ccc(cc1)Br TS21448 [0,1,0,0,0,1|1,0,0]=3 1884 B11R1.20 CC(=O)Cc1ccc(cc1)Cl TS01985 [0,1,0,0,0,1|1,0,0]=3 1885 B11R1.20 CC(=O)Cc1ccc(cc1)F TS10168 [0,1,0,0,0,1|1,0,0]=3 1886 B11R1.20 CC(=O)Cc1ccc(cc1)O TS40856 [0,1,0,0,0,1|1,0,0]=3 1887 B11R1.20 CC(=O)N=C1C=CC(=O)C=C1 TS40733 [0,1,0,0,0,1|1,0,0]=3 1888 B11R1.20 CC(=O)Nc1ccc(cc1)Br TS44451 [0,1,0,0,0,1|1,0,0]=3 1889 B11R1.20 CC(=O)Nc1ccc(cc1)Cl TS12726 [0,1,0,0,0,1|1,0,0]=3 1890 B11R1.20 CC(=O)Nc1ccc(cc1)F TS41260 [0,1,0,0,0,1|1,0,0]=3 1891 B11R1.20 CC(=O)Nc1ccc(cc1)I TS29619 [0,1,0,0,0,1|1,0,0]=3 1892 B11R1.20 CC(=O)Nc1ccc(cc1)N TS40870 [0,1,0,0,0,1|1,0,0]=3 1893 B11R1.20 CC(=O)Nc1ccc(cc1)O TS40999 [0,1,0,0,0,1|1,0,0]=3 1894 B11R1.20 CC(=O)Nc1ccc(cc1)S TS12415 [0,1,0,0,0,1|1,0,0]=3 1895 B11R1.20 CC(=O)Nc1ccc(cn1)Br TS08255 [0,1,0,0,0,1|2,0,0]=4 1896 B11R1.20 CC(=O)Nc1ccc(cn1)F TS07931 [0,1,0,0,0,1|2,0,0]=4 1897 B11R1.20 CC(=O)Nc1ccc(cn1)I TS29744 [0,1,0,0,0,1|2,0,0]=4 1898 B11R1.20 CC(=O)Nc1ccc(cn1)N TS60254 [0,1,0,0,0,1|2,0,0]=4 1899 B11R1.20 CC(=O)Nc1ccc(nc1)Br TS44648 [0,1,0,0,0,1|2,0,0]=4 1900 B11R1.20 CC(=O)Oc1ccc(cc1)Br TS44631 [0,1,0,0,0,1|1,0,0]=3 1901 B11R1.20 CC(=O)Oc1ccc(cc1)Cl TS09682 [0,1,0,0,0,1|1,0,0]=3 1902 B11R1.20 CC(=O)Oc1ccc(cc1)F TS41350 [0,1,0,0,0,1|1,0,0]=3 1903 B11R1.20 Cc1ccc(cc1)CC(=O)C TS07472 [0,1,0,0,0,1|1,0,0]=3 1904 B11R1.20 Cc1ccc(cc1)CC(=O)Cl TS01654 [0,1,0,0,0,1|1,0,0]=3 1905 B11R1.20 Cc1ccc(cc1)CC(=O)O TS65138 [0,1,0,0,0,1|0,0,0]=2 1906 B11R1.20 Cc1ccc(cc1)CC(=S)N TS12091 [0,1,0,0,0,1|1,1,0]=4 1907 B11R1.20 Cc1ccc(cc1)CC(=S)O TS15009 [0,1,0,0,0,1|0,1,0]=3 1908 B11R1.20 Cc1ccc(cc1)NC(=N)N TS07577 [0,1,0,0,0,1|2,0,0]=4 1909 B11R1.20 Cc1ccc(cc1)NC(=O)C TS40755 [0,1,0,0,0,1|1,0,0]=3 1910 B11R1.20 Cc1ccc(cc1)NC(=O)N TS09890 [0,1,0,0,0,1|1,0,0]=3 1911 B11R1.20 Cc1ccc(cc1)NC(=S)N TS12280 [0,1,0,0,0,1|1,1,0]=4 1912 B11R1.20 Cc1ccc(cc1)OC(=O)C TS09868 [0,1,0,0,0,1|1,0,0]=3 1913 B11R1.20 Cc1ccc(cc1)OC(=O)Cl TS12926 [0,1,0,0,0,1|1,0,0]=3 1914 B11R1.20 Cc1ccc(cc1)OC(=S)Cl TS15735 [0,1,0,0,0,1|1,1,0]=4 1915 B11R1.20 Cc1ccc(nc1)NC(=O)C TS09893 [0,1,0,0,0,1|2,0,0]=4 1916 B11R1.20 c1c(cnc(n1)CC(=O)O)Br TS87052 [0,1,0,0,0,1|2,0,0]=4 1917 B11R1.20 c1cc(ccc1CC(=N)N)Br TS21455 [0,1,0,0,0,1|2,0,0]=4 1918 B11R1.20 c1cc(ccc1CC(=N)N)Cl TS00227 [0,1,0,0,0,1|2,0,0]=4 1919 B11R1.20 c1cc(ccc1CC(=O)Cl)Br TS08909 [0,1,0,0,0,1|1,0,0]=3 1920 B11R1.20 c1cc(ccc1CC(=O)Cl)Cl TS71060 [0,1,0,0,0,1|1,0,0]=3 1921 B11R1.20 c1cc(ccc1CC(=O)Cl)F TS03099 [0,1,0,0,0,1|1,0,0]=3 1922 B11R1.20 c1cc(ccc1CC(=O)N)O TS10025 [0,1,0,0,0,1|1,0,0]=3 1923 B11R1.20 c1cc(ccc1CC(=O)O)Br TS71002 [0,1,0,0,0,1|0,0,0]=2 1924 B11R1.20 c1cc(ccc1CC(=O)O)Cl TS16663 [0,1,0,0,0,1|0,0,0]=2 1925 B11R1.20 c1cc(ccc1CC(=O)O)F TS01853 [0,1,0,0,0,1|0,0,0]=2 1926 B11R1.20 c1cc(ccc1CC(=O)O)I TS29739 [0,1,0,0,0,1|0,0,0]=2 1927 B11R1.20 c1cc(ccc1CC(=O)O)N TS39550 [0,1,0,0,0,1|0,0,0]=2 1928 B11R1.20 c1cc(ccc1CC(=O)O)O TS03131 [0,1,0,0,0,1|0,0,0]=2 1929 B11R1.20 c1cc(ccc1CC(=O)O)S TS44884 [0,1,0,0,0,1|0,0,0]=2 1930 B11R1.20 c1cc(ccc1CC(=S)N)Cl TS15543 [0,1,0,0,0,1|1,1,0]=4 1931 B11R1.20 c1cc(ccc1N)NC(=O)N TS41019 [0,1,0,0,0,1|1,0,0]=3 1932 B11R1.20 c1cc(ccc1NC(=N)N)Cl TS12732 [0,1,0,0,0,1|2,0,0]=4 1933 B11R1.20 c1cc(ccc1NC(=N)N)Cl TS20099 [0,1,0,0,0,1|2,0,0]=4 1934 B11R1.20 c1cc(ccc1NC(=N)N)Cl TS69287 [0,1,0,0,0,1|2,0,0]=4 1935 B11R1.20 c1cc(ccc1NC(=N)N)F TS41264 [0,1,0,0,0,1|2,0,0]=4 1936 B11R1.20 c1cc(ccc1NC(=O)N)Br TS44647 [0,1,0,0,0,1|1,0,0]=3 1937 B11R1.20 c1cc(ccc1NC(=O)N)Cl TS45242 [0,1,0,0,0,1|1,0,0]=3 1938 B11R1.20 c1cc(ccc1NC(=O)N)F TS10397 [0,1,0,0,0,1|1,0,0]=3 1939 B11R1.20 c1cc(ccc1NC(=S)N)Br TS25029 [0,1,0,0,0,1|1,1,0]=4 1940 B11R1.20 c1cc(ccc1NC(=S)N)Cl TS15738 [0,1,0,0,0,1|1,1,0]=4 1941 B11R1.20 c1cc(ccc1NC(=S)N)F TS12816 [0,1,0,0,0,1|1,1,0]=4 1942 B11R1.20 c1cc(ccc1NC(=S)N)O TS44895 [0,1,0,0,0,1|1,1,0]=4 1943 B11R1.20 c1cc(ccc1OC(=O)Cl)Br TS25785 [0,1,0,0,0,1|1,0,0]=3 1944 B11R1.20 c1cc(ccc1OC(=O)Cl)Cl TS65131 [0,1,0,0,0,1|1,0,0]=3 1945 B11R1.20 c1cc(ccc1OC(=O)Cl)F TS45861 [0,1,0,0,0,1|1,0,0]=3 1946 B11R1.20 c1cc(ccc1OC(=S)Cl)Cl TS20311 [0,1,0,0,0,1|1,1,0]=4 1947 B11R1.20 c1cc(ccc1OC(=S)Cl)F TS17194 [0,1,0,0,0,1|1,1,0]=4 1948 B11R1.20 c1cc(ncc1Br)CC(=O)O TS90866 [0,1,0,0,0,1|1,0,0]=3 1949 B11R1.20 c1cc(ncc1CC(=O)O)Cl TS13065 [0,1,0,0,0,1|1,0,0]=3 1950 B11R1.20 c1cc(ncc1I)CC(=O)O TS88353 [0,1,0,0,0,1|1,0,0]=3 1951 B11R1.20 c1cn(ccc1=O)CC(=O)O TS41243 [0,1,0,0,0,1|1,0,0]=3 1952 B11R1.36 B(C(=C)c1ccccc1)(O)O TS07402 [0,1,0,0,0,1|1,0,1]=4 1953 B11R1.36 C1C=CCC(=C1)[C@H](C(=O)O)N TS41281 [0,1,0,0,0,1|0,0,2]=4 1954 B11R1.36 C=C(c1ccccc1)C(=O)O TS59983 [0,1,0,0,0,1|0,0,0]=2 1955 B11R1.36 CC(=C)C(c1ccccc1)O TS07470 [0,1,0,0,0,1|2,0,0]=4 1956 B11R1.36 CC(=O)C(=O)c1ccccc1 TS00506 [0,1,0,0,0,1|1,0,0]=3 1957 B11R1.36 CC(=O)C(c1ccccc1)Br TS60203 [0,1,0,0,0,1|1,0,0]=3 1958 B11R1.36 CC(=O)C(c1ccccc1)N TS46844 [0,1,0,0,0,1|1,0,0]=3 1959 B11R1.36 CC(c1ccccc1)C(=O)O TS65642 [0,1,0,0,0,1|0,0,0]=2 1960 B11R1.36 CN(c1ccccc1)C(=O)Cl TS12717 [0,1,0,0,0,1|1,0,0]=3 1961 B11R1.36 CN(c1ccccc1)C(=S)Cl TS15542 [0,1,0,0,0,1|1,1,0]=4 1962 B11R1.36 CN(c1ccccc1)C(=S)N TS12282 [0,1,0,0,0,1|1,1,0]=4 1963 B11R1.36 C[C@@H](c1ccccc1)C(=O)O TS22970 [0,1,0,0,0,1|0,0,0]=2 1964 B11R1.36 C[C@H](c1ccccc1)C(=O)O TS22963 [0,1,0,0,0,1|0,0,0]=2 1965 B11R1.36 c1cc(cnc1)C(C(=O)O)N TS10156 [0,1,0,0,0,1|1,0,0]=3 1966 B11R1.36 c1ccc(cc1)C(=C(F)Cl)F TS45863 [0,1,0,0,0,1|2,0,0]=4 1967 B11R1.36 c1ccc(cc1)C(=C(F)F)F TS41858 [0,1,0,0,0,1|2,0,0]=4 1968 B11R1.36 c1ccc(cc1)C(=O)C(=O)O TS07652 [0,1,0,0,0,1|0,0,0]=2 1969 B11R1.36 c1ccc(cc1)C(C(=O)Cl)Cl TS50847 [0,1,0,0,0,1|1,0,0]=3 1970 B11R1.36 c1ccc(cc1)C(C(=O)N)N TS32776 [0,1,0,0,0,1|1,0,0]=3 1971 B11R1.36 c1ccc(cc1)C(C(=O)N)O TS10014 [0,1,0,0,0,1|1,0,0]=3 1972 B11R1.36 c1ccc(cc1)C(C(=O)O)Br TS40041 [0,1,0,0,0,1|0,0,0]=2 1973 B11R1.36 c1ccc(cc1)C(C(=O)O)Cl TS12921 [0,1,0,0,0,1|0,0,0]=2 1974 B11R1.36 c1ccc(cc1)C(C(=O)O)F TS41345 [0,1,0,0,0,1|0,0,0]=2 1975 B11R1.36 c1ccc(cc1)C(C(=O)O)O TS10137 [0,1,0,0,0,1|0,0,0]=2 1976 B11R1.36 c1ccc(cc1)C(C(=O)O)O TS10144 [0,1,0,0,0,1|0,0,0]=2 1977 B11R1.36 c1ccc(cc1)C(C(=O)O)O TS35517 [0,1,0,0,0,1|0,0,0]=2 1978 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)Br TS44638 [0,1,0,0,0,1|0,0,0]=2 1979 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)N TS01533 [0,1,0,0,0,1|0,0,0]=2 1980 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)O TS46637 [0,1,0,0,0,1|0,0,0]=2 1981 B11R1.36 c1ccc(cc1)[C@H](C(=O)Cl)N TS20096 [0,1,0,0,0,1|1,0,0]=3 1982 B11R1.36 c1ccc(cc1)[C@H](C(=O)N)N TS01409 [0,1,0,0,0,1|1,0,0]=3 1983 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)N TS33222 [0,1,0,0,0,1|0,0,0]=2 1984 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)O TS93945 [0,1,0,0,0,1|0,0,0]=2 1985 B11R1.36 c1ccnc(c1)C(C(=O)O)N TS41120 [0,1,0,0,0,1|1,0,0]=3 1986 B11R1.36 c1cnccc1C(C(=O)O)N TS41126 [0,1,0,0,0,1|1,0,0]=3 1987 B11R1.40 C=CC(=O)Oc1ccccc1 TS07421 [0,1,0,0,0,1|1,0,0]=3 1988 B11R1.40 CC(=Cc1ccccc1)C=O TS07231 [0,1,0,0,0,1|1,0,0]=3 1989 B11R1.40 CC(=Cc1ccccc1)CO TS40644 [0,1,0,0,0,1|1,0,0]=3 1990 B11R1.40 CC(=NO)Cc1ccccc1 TS40745 [0,1,0,0,0,1|1,0,0]=3 1991 B11R1.40 CC(CO)Oc1ccccc1 TS41133 [0,1,0,0,0,1|1,0,1]=4 1992 B11R1.40 CC(Cc1ccccc1)C=O TS07461 [0,1,0,0,0,1|1,0,1]=4 1993 B11R1.40 CCC(=Cc1ccccc1)C TS07268 [0,1,0,0,0,1|2,0,0]=4 1994 B11R1.40 CCC(=O)Cc1ccccc1 TS07483 [0,1,0,0,0,1|1,0,0]=3 1995 B11R1.40 CCC(=O)Nc1ccccc1 TS29506 [0,1,0,0,0,1|1,0,0]=3 1996 B11R1.40 CCC(Cc1ccccc1)O TS00513 [0,1,0,0,0,1|1,0,1]=4 1997 B11R1.40 CN(Cc1ccccc1)N=O TS09887 [0,1,0,0,0,1|2,0,0]=4 1998 B11R1.40 CNC(=O)Nc1ccccc1 TS09898 [0,1,0,0,0,1|1,0,0]=3 1999 B11R1.40 CNC(=S)Nc1ccccc1 TS12286 [0,1,0,0,0,1|1,1,0]=4 2000 B11R1.40 COC(=O)Cc1ccccc1 TS00242 [0,1,0,0,0,1|0,0,0]=2 2001 B11R1.40 COC(=O)Cc1ccccn1 TS39400 [0,1,0,0,0,1|1,0,0]=3 2002 B11R1.40 COC(=O)Cc1cccnc1 TS90627 [0,1,0,0,0,1|1,0,0]=3 2003 B11R1.40 COC(=O)Cc1cccnn1 TS85573 [0,1,0,0,0,1|2,0,0]=4 2004 B11R1.40 COC(=O)Cc1ccncc1 TS10039 [0,1,0,0,0,1|1,0,0]=3 2005 B11R1.40 COC(=O)Cc1ccncn1 TS88322 [0,1,0,0,0,1|2,0,0]=4 2006 B11R1.40 COC(=O)Cc1ccnnc1 TS90137 [0,1,0,0,0,1|2,0,0]=4 2007 B11R1.40 COC(=O)Cc1cnccn1 TS88028 [0,1,0,0,0,1|2,0,0]=4 2008 B11R1.40 COC(=O)Nc1ccccc1 TS41003 [0,1,0,0,0,1|0,0,0]=2 2009 B11R1.40 c1cc(cnc1)CC(=O)NN TS10044 [0,1,0,0,0,1|2,0,0]=4 2010 B11R1.40 c1cc[n+](cc1)CC(=O)NN TS50625 [0,1,0,0,0,1|2,0,0]=4 2011 B11R1.40 c1ccc(cc1)C=C(C=O)Br TS21062 [0,1,0,0,0,1|1,0,0]=3 2012 B11R1.40 c1ccc(cc1)C=C(C=O)Cl TS12312 [0,1,0,0,0,1|1,0,0]=3 2013 B11R1.40 c1ccc(cc1)CC(=O)CCl TS44955 [0,1,0,0,0,1|1,0,0]=3 2014 B11R1.40 c1ccc(cc1)CC(=O)NN TS09901 [0,1,0,0,0,1|1,0,0]=3 2015 B11R1.40 c1ccc(cc1)CC(=O)NO TS10040 [0,1,0,0,0,1|0,0,0]=2 2016 B11R1.40 c1ccc(cc1)C[C@H](CO)N TS07919 [0,1,0,0,0,1|1,0,1]=4 2017 B11R1.40 c1ccc(cc1)NC(=O)CCl TS12724 [0,1,0,0,0,1|1,0,0]=3 2018 B11R1.40 c1ccc(cc1)NC(=O)CS TS12417 [0,1,0,0,0,1|0,1,0]=3 2019 B11R1.40 c1ccc(cc1)NC(=O)NN TS41023 [0,1,0,0,0,1|1,0,0]=3 2020 B11R1.40 c1ccc(cc1)NC(=O)NN TS50626 [0,1,0,0,0,1|1,0,0]=3 2021 B11R1.40 c1ccc(cc1)NC(=S)C#N TS42481 [0,1,0,0,0,1|1,1,0]=4 2022 B11R1.40 c1ccc(cc1)NC(=S)NN TS12418 [0,1,0,0,0,1|1,1,0]=4 2023 B11R1.40 c1ccc(cc1)OC(=O)CBr TS44644 [0,1,0,0,0,1|1,0,0]=3 2024 B11R1.40 c1ccc(cc1)OC(=O)CCl TS12932 [0,1,0,0,0,1|1,0,0]=3 2025 B11R1.40 c1ccnc(c1)NC(=O)CCl TS45233 [0,1,0,0,0,1|2,0,0]=4 2026 B11R1.86 CC(=O)Cc1ccccc1Br TS21452 [0,1,0,0,0,1|1,0,0]=3 2027 B11R1.86 CC(=O)Cc1ccccc1Cl TS44948 [0,1,0,0,0,1|1,0,0]=3 2028 B11R1.86 CC(=O)Cc1ccccc1F TS10163 [0,1,0,0,0,1|1,0,0]=3 2029 B11R1.86 CC(=O)Nc1c(cccn1)O TS10151 [0,1,0,0,0,1|2,0,0]=4 2030 B11R1.86 CC(=O)Nc1ccccc1Br TS44445 [0,1,0,0,0,1|1,0,0]=3 2031 B11R1.86 CC(=O)Nc1ccccc1Cl TS12723 [0,1,0,0,0,1|1,0,0]=3 2032 B11R1.86 CC(=O)Nc1ccccc1F TS10312 [0,1,0,0,0,1|1,0,0]=3 2033 B11R1.86 CC(=O)Nc1ccccc1I TS29620 [0,1,0,0,0,1|1,0,0]=3 2034 B11R1.86 CC(=O)Nc1ccccc1N TS09894 [0,1,0,0,0,1|1,0,0]=3 2035 B11R1.86 CC(=O)Nc1ccccc1O TS10026 [0,1,0,0,0,1|1,0,0]=3 2036 B11R1.86 CC(=O)Oc1ccc[nH]c1=O TS41242 [0,1,0,0,0,1|2,0,0]=4 2037 B11R1.86 CC(=O)Oc1ccccc1Cl TS12917 [0,1,0,0,0,1|1,0,0]=3 2038 B11R1.86 CC(=O)Oc1ccccc1F TS41353 [0,1,0,0,0,1|1,0,0]=3 2039 B11R1.86 Cc1ccccc1CC(=O)C TS40648 [0,1,0,0,0,1|1,0,0]=3 2040 B11R1.86 Cc1ccccc1CC(=O)Cl TS12613 [0,1,0,0,0,1|1,0,0]=3 2041 B11R1.86 Cc1ccccc1CC(=O)O TS40859 [0,1,0,0,0,1|0,0,0]=2 2042 B11R1.86 Cc1ccccc1NC(=N)N TS07578 [0,1,0,0,0,1|2,0,0]=4 2043 B11R1.86 Cc1ccccc1NC(=N)N TS15535 [0,1,0,0,0,1|2,0,0]=4 2044 B11R1.86 Cc1ccccc1NC(=O)C TS40760 [0,1,0,0,0,1|1,0,0]=3 2045 B11R1.86 Cc1ccccc1NC(=O)N TS40867 [0,1,0,0,0,1|1,0,0]=3 2046 B11R1.86 Cc1ccccc1NC(=S)N TS12284 [0,1,0,0,0,1|1,1,0]=4 2047 B11R1.86 Cc1ccncc1NC(=O)C TS09896 [0,1,0,0,0,1|2,0,0]=4 2048 B11R1.86 c1cc(c(nc1)CC(=O)O)Br TS87435 [0,1,0,0,0,1|1,0,0]=3 2049 B11R1.86 c1cc(c(nc1)CC(=O)O)Cl TS13072 [0,1,0,0,0,1|1,0,0]=3 2050 B11R1.86 c1cc(c(nc1)Cl)CC(=O)O TS85678 [0,1,0,0,0,1|1,0,0]=3 2051 B11R1.86 c1ccc(c(c1)CC(=O)Cl)F TS08220 [0,1,0,0,0,1|1,0,0]=3 2052 B11R1.86 c1ccc(c(c1)CC(=O)N)Br TS44449 [0,1,0,0,0,1|1,0,0]=3 2053 B11R1.86 c1ccc(c(c1)CC(=O)O)Br TS00856 [0,1,0,0,0,1|0,0,0]=2 2054 B11R1.86 c1ccc(c(c1)CC(=O)O)Cl TS59962 [0,1,0,0,0,1|0,0,0]=2 2055 B11R1.86 c1ccc(c(c1)CC(=O)O)F TS93807 [0,1,0,0,0,1|0,0,0]=2 2056 B11R1.86 c1ccc(c(c1)CC(=O)O)I TS01083 [0,1,0,0,0,1|0,0,0]=2 2057 B11R1.86 c1ccc(c(c1)CC(=O)O)N TS10032 [0,1,0,0,0,1|0,0,0]=2 2058 B11R1.86 c1ccc(c(c1)CC(=O)O)N TS59939 [0,1,0,0,0,1|0,0,0]=2 2059 B11R1.86 c1ccc(c(c1)CC(=O)O)O TS07851 [0,1,0,0,0,1|0,0,0]=2 2060 B11R1.86 c1ccc(c(c1)CC(=O)O)S TS44883 [0,1,0,0,0,1|0,0,0]=2 2061 B11R1.86 c1ccc(c(c1)CC(=S)N)Cl TS15541 [0,1,0,0,0,1|1,1,0]=4 2062 B11R1.86 c1ccc(c(c1)NC(=N)N)Cl TS12730 [0,1,0,0,0,1|2,0,0]=4 2063 B11R1.86 c1ccc(c(c1)NC(=N)N)Cl TS20098 [0,1,0,0,0,1|2,0,0]=4 2064 B11R1.86 c1ccc(c(c1)NC(=N)N)F TS41263 [0,1,0,0,0,1|2,0,0]=4 2065 B11R1.86 c1ccc(c(c1)NC(=O)N)F TS41355 [0,1,0,0,0,1|1,0,0]=3 2066 B11R1.86 c1ccc(c(c1)NC(=S)N)Br TS53128 [0,1,0,0,0,1|1,1,0]=4 2067 B11R1.86 c1ccc(c(c1)NC(=S)N)Cl TS15736 [0,1,0,0,0,1|1,1,0]=4 2068 B11R1.86 c1ccc(c(c1)NC(=S)N)F TS12815 [0,1,0,0,0,1|1,1,0]=4 2069 B11R1.86 c1cnc(c(n1)CC(=O)O)Cl TS92109 [0,1,0,0,0,1|2,0,0]=4 2070 B11R1.157 C=C(Cc1cccc(c1)F)Br TS21819 [0,1,0,0,0,1|2,0,0]=4 2071 B11R1.157 CC(=O)Cc1cccc(c1)Br TS21446 [0,1,0,0,0,1|1,0,0]=3 2072 B11R1.157 CC(=O)Cc1cccc(c1)Cl TS12621 [0,1,0,0,0,1|1,0,0]=3 2073 B11R1.157 CC(=O)Cc1cccc(c1)F TS10165 [0,1,0,0,0,1|1,0,0]=3 2074 B11R1.157 CC(=O)Cc1cccc(c1)O TS40855 [0,1,0,0,0,1|1,0,0]=3 2075 B11R1.157 CC(=O)Nc1cc(ccn1)Cl TS45240 [0,1,0,0,0,1|2,0,0]=4 2076 B11R1.157 CC(=O)Nc1cccc(c1)Br TS44446 [0,1,0,0,0,1|1,0,0]=3 2077 B11R1.157 CC(=O)Nc1cccc(c1)Cl TS12719 [0,1,0,0,0,1|1,0,0]=3 2078 B11R1.157 CC(=O)Nc1cccc(c1)F TS10311 [0,1,0,0,0,1|1,0,0]=3 2079 B11R1.157 CC(=O)Nc1cccc(c1)N TS09891 [0,1,0,0,0,1|1,0,0]=3 2080 B11R1.157 CC(=O)Nc1cccc(c1)N TS15731 [0,1,0,0,0,1|1,0,0]=3 2081 B11R1.157 CC(=O)Nc1ccnc(c1)Cl TS45239 [0,1,0,0,0,1|2,0,0]=4 2082 B11R1.157 CC(=O)Oc1cccc(c1)F TS41348 [0,1,0,0,0,1|1,0,0]=3 2083 B11R1.157 CC(=O)Oc1cccc(c1)O TS10124 [0,1,0,0,0,1|1,0,0]=3 2084 B11R1.157 Cc1cccc(c1)CC(=O)C TS40649 [0,1,0,0,0,1|1,0,0]=3 2085 B11R1.157 Cc1cccc(c1)CC(=O)Cl TS44949 [0,1,0,0,0,1|1,0,0]=3 2086 B11R1.157 Cc1cccc(c1)CC(=O)O TS40851 [0,1,0,0,0,1|0,0,0]=2 2087 B11R1.157 Cc1cccc(c1)NC(=O)C TS40761 [0,1,0,0,0,1|1,0,0]=3 2088 B11R1.157 Cc1cccc(c1)NC(=O)N TS09889 [0,1,0,0,0,1|1,0,0]=3 2089 B11R1.157 Cc1cccc(c1)NC(=S)N TS12287 [0,1,0,0,0,1|1,1,0]=4 2090 B11R1.157 Cc1cccc(c1)OC(=O)C TS40850 [0,1,0,0,0,1|1,0,0]=3 2091 B11R1.157 Cc1cccc(c1)OC(=O)Cl TS12924 [0,1,0,0,0,1|1,0,0]=3 2092 B11R1.157 Cc1cccc(n1)CC(=O)O TS10024 [0,1,0,0,0,1|1,0,0]=3 2093 B11R1.157 Cc1cccc(n1)NC(=O)C TS09892 [0,1,0,0,0,1|2,0,0]=4 2094 B11R1.157 c1c(cncc1Br)CC(=O)O TS16996 [0,1,0,0,0,1|1,0,0]=3 2095 B11R1.157 c1c(cncc1F)CC(=O)O TS88577 [0,1,0,0,0,1|1,0,0]=3 2096 B11R1.157 c1cc(cc(c1)Br)CC(=O)O TS65959 [0,1,0,0,0,1|0,0,0]=2 2097 B11R1.157 c1cc(cc(c1)Br)NC(=S)N TS25027 [0,1,0,0,0,1|1,1,0]=4 2098 B11R1.157 c1cc(cc(c1)Cl)CC(=O)Cl TS50846 [0,1,0,0,0,1|1,0,0]=3 2099 B11R1.157 c1cc(cc(c1)Cl)CC(=O)O TS02722 [0,1,0,0,0,1|0,0,0]=2 2100 B11R1.157 c1cc(cc(c1)Cl)NC(=O)N TS45238 [0,1,0,0,0,1|1,0,0]=3 2101 B11R1.157 c1cc(cc(c1)Cl)NC(=S)N TS15737 [0,1,0,0,0,1|1,1,0]=4 2102 B11R1.157 c1cc(cc(c1)F)CC(=O)Cl TS13264 [0,1,0,0,0,1|1,0,0]=3 2103 B11R1.157 c1cc(cc(c1)F)CC(=O)O TS01567 [0,1,0,0,0,1|0,0,0]=2 2104 B11R1.157 c1cc(cc(c1)F)NC(=S)N TS12813 [0,1,0,0,0,1|1,1,0]=4 2105 B11R1.157 c1cc(cc(c1)I)CC(=O)O TS70632 [0,1,0,0,0,1|0,0,0]=2 2106 B11R1.157 c1cc(cc(c1)N)CC(=O)O TS65876 [0,1,0,0,0,1|0,0,0]=2 2107 B11R1.157 c1cc(cc(c1)NC(=O)N)N TS10043 [0,1,0,0,0,1|1,0,0]=3 2108 B11R1.157 c1cc(cc(c1)NC(=O)N)N TS50627 [0,1,0,0,0,1|1,0,0]=3 2109 B11R1.157 c1cc(cc(c1)O)CC(=O)O TS02792 [0,1,0,0,0,1|0,0,0]=2 2110 B11R1.157 c1cc(cc(c1)O)NC(=S)N TS44894 [0,1,0,0,0,1|1,1,0]=4 2111 B11R1.157 c1cnc(cc1CC(=O)O)Br TS44775 [0,1,0,0,0,1|1,0,0]=3 2112 B11R1.157 c1cnc(cc1CC(=O)O)N TS10152 [0,1,0,0,0,1|1,0,0]=3 2113 B11R1.509 CC(C)(Cc1ccccc1)O TS40900 [0,1,0,0,0,1|1,0,1]=4 2114 B11R1.509 CS(=O)(=O)Cc1ccccc1 TS12822 [0,1,0,0,0,1|1,0,1]=4 2115 B11R1.509 CS(=O)(=O)Nc1ccccc1 TS13021 [0,1,0,0,0,1|1,0,1]=4 2116 B11R1.509 CS(=O)(=O)Oc1ccccc1 TS45452 [0,1,0,0,0,1|1,0,1]=4 2117 B11R1.509 c1ccc(cc1)CP(=O)(O)O TS45408 [0,1,0,0,0,1|1,0,0]=3 2118 B11R1.509 c1ccc(cc1)CS(=O)(=O)Cl TS01351 [0,1,0,0,0,1|1,0,1]=4 2119 B11R1.509 c1ccc(cc1)CS(=O)(=O)F TS13476 [0,1,0,0,0,1|1,0,1]=4 2120 B11R1.509 c1ccc(cc1)CS(=O)(=O)N TS59634 [0,1,0,0,0,1|1,0,1]=4 2121 B11R1.509 c1ccc(cc1)OP(=O)(Cl)Cl TS22725 [0,1,0,0,0,1|2,0,0]=4 2122 B11R1.509 c1ccc(cc1)OP(=O)(N)N TS45411 [0,1,0,0,0,1|2,0,0]=4 2123 B11R1.509 c1ccc(cc1)OP(=O)(O)O TS13427 [0,1,0,0,0,1|1,0,0]=3 2124 B11R1.509 c1ccc(cc1)OP(=O)([O-])[O-] TS49353 [0,1,0,0,0,1|1,0,1]=4 2125 B11R1.3 B(c1ccc(cc1)C#N)(O)O TS03065 [0,2,0,0,0,0|1,0,1]=4 2126 B11R1.3 B(c1ccc(cc1)C=C)(O)O TS07399 [0,2,0,0,0,0|1,0,1]=4 2127 B11R1.3 B(c1ccc(cc1)C=O)(O)O TS85495 [0,2,0,0,0,0|1,0,1]=4 2128 B11R1.3 B(c1ccc(cc1)CBr)(O)O TS16901 [0,2,0,0,0,0|1,0,1]=4 2129 B11R1.3 B(c1ccc(cc1)CC)(O)O TS71107 [0,2,0,0,0,0|1,0,1]=4 2130 B11R1.3 B(c1ccc(cc1)CCl)(O)O TS45216 [0,2,0,0,0,0|1,0,1]=4 2131 B11R1.3 B(c1ccc(cc1)CN)(O)O TS08871 [0,2,0,0,0,0|1,0,1]=4 2132 B11R1.3 B(c1ccc(cc1)CN)(O)O TS40961 [0,2,0,0,0,0|1,0,1]=4 2133 B11R1.3 B(c1ccc(cc1)CO)(O)O TS03127 [0,2,0,0,0,0|1,0,1]=4 2134 B11R1.3 B(c1ccc(cc1)OC)(O)O TS93919 [0,2,0,0,0,0|1,0,1]=4 2135 B11R1.3 B(c1ccc(cc1)SC)(O)O TS70787 [0,2,0,0,0,0|1,0,1]=4 2136 B11R1.3 C#Cc1ccc(cc1)C(=O)O TS71111 [0,2,0,0,0,0|0,0,0]=2 2137 B11R1.3 C#Cc1ccc(cc1)[N+](=O)[O-] TS07299 [0,2,0,0,0,0|1,0,1]=4 2138 B11R1.3 C=Cc1ccc(cc1)C(=O)O TS71307 [0,2,0,0,0,0|0,0,0]=2 2139 B11R1.3 C=Cc1ccc(cc1)S(=O)[O-] TS17059 [0,2,0,0,0,0|1,0,1]=4 2140 B11R1.3 CC(=C)c1ccc(cc1)C=O TS01820 [0,2,0,0,0,0|2,0,0]=4 2141 B11R1.3 CC(=O)c1ccc(cc1)C#C TS40168 [0,2,0,0,0,0|1,0,0]=3 2142 B11R1.3 CC(=O)c1ccc(cc1)C#N TS39459 [0,2,0,0,0,0|1,0,0]=3 2143 B11R1.3 CC(=O)c1ccc(cc1)C=C TS07232 [0,2,0,0,0,0|1,0,0]=3 2144 B11R1.3 CC(=O)c1ccc(cc1)C=O TS07425 [0,2,0,0,0,0|1,0,0]=3 2145 B11R1.3 CC(=O)c1ccc(cc1)OC TS40842 [0,2,0,0,0,0|1,0,0]=3 2146 B11R1.3 CC(=O)c1ccc(cc1)SC TS70785 [0,2,0,0,0,0|1,0,0]=3 2147 B11R1.3 CC(=O)c1ccc(cn1)OC TS86710 [0,2,0,0,0,0|2,0,0]=4 2148 B11R1.3 CC(=O)c1ccc(nc1)C#N TS03208 [0,2,0,0,0,0|2,0,0]=4 2149 B11R1.3 CC(=O)c1ccc(nc1)OC TS22855 [0,2,0,0,0,0|2,0,0]=4 2150 B11R1.3 CC(c1ccc(cc1)OC)O TS10179 [0,2,0,0,0,0|1,0,1]=4 2151 B11R1.3 CCc1ccc(cc1)C(=O)C TS40659 [0,2,0,0,0,0|1,0,0]=3 2152 B11R1.3 CCc1ccc(cc1)C(=O)Cl TS12610 [0,2,0,0,0,0|1,0,0]=3 2153 B11R1.3 CCc1ccc(cc1)C(=O)N TS40757 [0,2,0,0,0,0|1,0,0]=3 2154 B11R1.3 CCc1ccc(cc1)C(=O)O TS40858 [0,2,0,0,0,0|0,0,0]=2 2155 B11R1.3 CCc1ccc(cc1)C(=S)N TS12083 [0,2,0,0,0,0|1,1,0]=4 2156 B11R1.3 CCc1ccc(cc1)N(=O)=O TS10018 [0,2,0,0,0,0|1,0,1]=4 2157 B11R1.3 CCc1ccc(nc1)C(=O)O TS40993 [0,2,0,0,0,0|1,0,0]=3 2158 B11R1.3 CNc1ccc(cc1)C(=O)O TS10016 [0,2,0,0,0,0|0,0,0]=2 2159 B11R1.3 CNc1ccc(cc1)[N+](=O)[O-] TS10159 [0,2,0,0,0,0|1,0,1]=4 2160 B11R1.3 COc1ccc(cc1)C(=N)N TS15734 [0,2,0,0,0,0|2,0,0]=4 2161 B11R1.3 COc1ccc(cc1)C(=O)Cl TS00259 [0,2,0,0,0,0|1,0,0]=3 2162 B11R1.3 COc1ccc(cc1)C(=O)N TS10033 [0,2,0,0,0,0|1,0,0]=3 2163 B11R1.3 COc1ccc(cc1)C(=O)O TS92947 [0,2,0,0,0,0|0,0,0]=2 2164 B11R1.3 COc1ccc(cc1)C(=O)[O-] TS51125 [0,2,0,0,0,0|0,0,1]=3 2165 B11R1.3 COc1ccc(cc1)C(=S)N TS12413 [0,2,0,0,0,0|1,1,0]=4 2166 B11R1.3 COc1ccc(cc1)[N+](=O)[O-] TS41252 [0,2,0,0,0,0|1,0,1]=4 2167 B11R1.3 COc1ccc(cn1)C(=O)O TS01098 [0,2,0,0,0,0|1,0,0]=3 2168 B11R1.3 COc1ccc(nc1)C(=O)O TS03355 [0,2,0,0,0,0|1,0,0]=3 2169 B11R1.3 COc1ncc(cn1)C(=O)O TS41335 [0,2,0,0,0,0|2,0,0]=4 2170 B11R1.3 CSc1ccc(cc1)C(=O)O TS44887 [0,2,0,0,0,0|0,0,0]=2 2171 B11R1.3 CSc1ccc(cc1)[N+](=O)[O-] TS45011 [0,2,0,0,0,0|1,0,1]=4 2172 B11R1.3 CSc1ncc(cn1)C(=O)O TS87353 [0,2,0,0,0,0|2,0,0]=4 2173 B11R1.3 C[C@@H](c1ccc(cc1)[N+]#[C-])O TS07344 [0,2,0,0,0,0|1,0,1]=4 2174 B11R1.3 C[C@H](c1ccc(cc1)[N+]#[C-])O TS07330 [0,2,0,0,0,0|1,0,1]=4 2175 B11R1.3 [C-]#[N+]c1ccc(cc1)[N+](=O)[O-] TS40596 [0,2,0,0,0,0|1,0,1]=4 2176 B11R1.3 c1c(cnc(n1)C#N)C(=O)O TS88990 [0,2,0,0,0,0|2,0,0]=4 2177 B11R1.3 c1cc(ccc1C#N)C(=O)Cl TS42964 [0,2,0,0,0,0|1,0,0]=3 2178 B11R1.3 c1cc(ccc1C#N)C(=O)N TS40391 [0,2,0,0,0,0|1,0,0]=3 2179 B11R1.3 c1cc(ccc1C#N)C(=O)O TS03058 [0,2,0,0,0,0|0,0,0]=2 2180 B11R1.3 c1cc(ccc1C#N)[N+](=O)[O-] TS60065 [0,2,0,0,0,0|1,0,1]=4 2181 B11R1.3 c1cc(ccc1C(=O)O)NN TS41114 [0,2,0,0,0,0|0,0,0]=2 2182 B11R1.3 c1cc(ccc1C(=O)O)NN TS50823 [0,2,0,0,0,0|0,0,0]=2 2183 B11R1.3 c1cc(ccc1C(=O)O)[Hg]Cl TS79372 [0,2,0,0,0,0|0,0,0]=2 2184 B11R1.3 c1cc(ccc1C(=O)[O-])[Hg]O TS79553 [0,2,0,0,0,0|0,0,1]=3 2185 B11R1.3 c1cc(ccc1C=O)C(=N)N TS15395 [0,2,0,0,0,0|2,0,0]=4 2186 B11R1.3 c1cc(ccc1C=O)C(=O)O TS33166 [0,2,0,0,0,0|0,0,0]=2 2187 B11R1.3 c1cc(ccc1C=O)[N+](=O)[O-] TS09745 [0,2,0,0,0,0|1,0,1]=4 2188 B11R1.3 c1cc(ccc1CBr)C(=O)O TS44637 [0,2,0,0,0,0|0,0,0]=2 2189 B11R1.3 c1cc(ccc1CBr)[N+](=O)[O-] TS44773 [0,2,0,0,0,0|1,0,1]=4 2190 B11R1.3 c1cc(ccc1CCl)C(=O)Cl TS60030 [0,2,0,0,0,0|1,0,0]=3 2191 B11R1.3 c1cc(ccc1CCl)C(=O)O TS12925 [0,2,0,0,0,0|0,0,0]=2 2192 B11R1.3 c1cc(ccc1CCl)[N+](=O)[O-] TS39596 [0,2,0,0,0,0|1,0,1]=4 2193 B11R1.3 c1cc(ccc1CI)N(=O)=O TS29871 [0,2,0,0,0,0|1,0,1]=4 2194 B11R1.3 c1cc(ccc1CN)C(=N)N TS50061 [0,2,0,0,0,0|2,0,0]=4 2195 B11R1.3 c1cc(ccc1CN)C(=O)N TS09895 [0,2,0,0,0,0|1,0,0]=3 2196 B11R1.3 c1cc(ccc1CN)C(=O)O TS16888 [0,2,0,0,0,0|0,0,0]=2 2197 B11R1.3 c1cc(ccc1CN)[N+](=O)[O-] TS33122 [0,2,0,0,0,0|1,0,1]=4 2198 B11R1.3 c1cc(ccc1CO)C(=O)O TS10123 [0,2,0,0,0,0|0,0,0]=2 2199 B11R1.3 c1cc(ccc1CO)[N+](=O)[O-] TS41244 [0,2,0,0,0,0|1,0,1]=4 2200 B11R1.3 c1cc(ccc1NN)[N+](=O)[O-] TS10300 [0,2,0,0,0,0|1,0,1]=4 2201 B11R1.3 c1cc(ccc1NN)[N+](=O)[O-] TS50984 [0,2,0,0,0,0|1,0,1]=4 2202 B11R1.3 c1cc(ccc1[N+]#N)[N+](=O)[O-] TS25986 [0,2,0,0,0,0|1,0,1]=4 2203 B11R1.3 c1cc(ccc1[N+]#N)[N+](=O)[O-] TS58528 [0,2,0,0,0,0|1,0,1]=4 2204 B11R1.3 c1cc(ccc1[N+](=O)[O-])ON TS93701 [0,2,0,0,0,0|1,0,1]=4 2205 B11R1.3 c1cc(ccc1[N+](=O)[O-])SCl TS16245 [0,2,0,0,0,0|1,0,1]=4 2206 B11R1.3 c1cc(ncc1C(=O)N)C#N TS07301 [0,2,0,0,0,0|2,0,0]=4 2207 B11R1.3 c1cc(ncc1C(=O)O)C#N TS32671 [0,2,0,0,0,0|1,0,0]=3 2208 B11R1.3 c1cc(ncc1C(=O)O)NN TS02276 [0,2,0,0,0,0|1,0,0]=3 2209 B11R1.19 CC(C)(c1ccc(cc1)F)O TS10445 [0,2,0,0,0,0|1,0,1]=4 2210 B11R1.19 CS(=O)(=O)c1ccc(cc1)Br TS56621 [0,2,0,0,0,0|1,0,1]=4 2211 B11R1.19 CS(=O)(=O)c1ccc(cc1)Cl TS33159 [0,2,0,0,0,0|1,0,1]=4 2212 B11R1.19 CS(=O)(=O)c1ccc(cc1)F TS13477 [0,2,0,0,0,0|1,0,1]=4 2213 B11R1.19 CS(=O)(=O)c1ccc(cc1)N TS70784 [0,2,0,0,0,0|1,0,1]=4 2214 B11R1.19 CS(=O)(=O)c1ccc(cc1)O TS71240 [0,2,0,0,0,0|1,0,1]=4 2215 B11R1.19 Cc1ccc(cc1)S(=O)(=O)Br TS94398 [0,2,0,0,0,0|1,0,1]=4 2216 B11R1.19 Cc1ccc(cc1)S(=O)(=O)C TS12830 [0,2,0,0,0,0|1,0,1]=4 2217 B11R1.19 Cc1ccc(cc1)S(=O)(=O)Cl TS01651 [0,2,0,0,0,0|1,0,1]=4 2218 B11R1.19 Cc1ccc(cc1)S(=O)(=O)F TS13475 [0,2,0,0,0,0|1,0,1]=4 2219 B11R1.19 Cc1ccc(cc1)S(=O)(=O)N TS64347 [0,2,0,0,0,0|1,0,1]=4 2220 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O TS08074 [0,2,0,0,0,0|1,0,0]=3 2221 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O TS53319 [0,2,0,0,0,0|1,0,0]=3 2222 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O TS59085 [0,2,0,0,0,0|1,0,0]=3 2223 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O TS62755 [0,2,0,0,0,0|1,0,0]=3 2224 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O TS63266 [0,2,0,0,0,0|1,0,0]=3 2225 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O TS68270 [0,2,0,0,0,0|1,0,0]=3 2226 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O TS77693 [0,2,0,0,0,0|1,0,0]=3 2227 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O TS77700 [0,2,0,0,0,0|1,0,0]=3 2228 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O TS77822 [0,2,0,0,0,0|1,0,0]=3 2229 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O TS85428 [0,2,0,0,0,0|1,0,0]=3 2230 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O TS94396 [0,2,0,0,0,0|1,0,0]=3 2231 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O TS94673 [0,2,0,0,0,0|1,0,0]=3 2232 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] TS34142 [0,2,0,0,0,0|1,0,1]=4 2233 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] TS34439 [0,2,0,0,0,0|1,0,1]=4 2234 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] TS35992 [0,2,0,0,0,0|1,0,1]=4 2235 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] TS45300 [0,2,0,0,0,0|1,0,1]=4 2236 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] TS45457 [0,2,0,0,0,0|1,0,1]=4 2237 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] TS51776 [0,2,0,0,0,0|1,0,1]=4 2238 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] TS53184 [0,2,0,0,0,0|1,0,1]=4 2239 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] TS54628 [0,2,0,0,0,0|1,0,1]=4 2240 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] TS58412 [0,2,0,0,0,0|1,0,1]=4 2241 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] TS59084 [0,2,0,0,0,0|1,0,1]=4 2242 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] TS59380 [0,2,0,0,0,0|1,0,1]=4 2243 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] TS62193 [0,2,0,0,0,0|1,0,1]=4 2244 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] TS64959 [0,2,0,0,0,0|1,0,1]=4 2245 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] TS69285 [0,2,0,0,0,0|1,0,1]=4 2246 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] TS73309 [0,2,0,0,0,0|1,0,1]=4 2247 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] TS74554 [0,2,0,0,0,0|1,0,1]=4 2248 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] TS76424 [0,2,0,0,0,0|1,0,1]=4 2249 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] TS84456 [0,2,0,0,0,0|1,0,1]=4 2250 B11R1.19 Cc1ccc(cc1)S(=O)(=S)[O-] TS52406 [0,2,0,0,0,0|1,0,1]=4 2251 B11R1.19 Cc1ccc(cc1)[As](=O)(O)O TS21975 [0,2,0,0,0,0|1,0,0]=3 2252 B11R1.19 Cc1ccc(cn1)S(=O)(=O)O TS01273 [0,2,0,0,0,0|2,0,0]=4 2253 B11R1.19 c1cc(ccc1Cl)[As](=O)(O)O TS25959 [0,2,0,0,0,0|1,0,0]=3 2254 B11R1.19 c1cc(ccc1F)S(=O)(=O)Cl TS60358 [0,2,0,0,0,0|1,0,1]=4 2255 B11R1.19 c1cc(ccc1F)S(=O)(=O)F TS47499 [0,2,0,0,0,0|1,0,1]=4 2256 B11R1.19 c1cc(ccc1F)S(=O)(=O)N TS03083 [0,2,0,0,0,0|1,0,1]=4 2257 B11R1.19 c1cc(ccc1F)S(=O)(=O)O TS46045 [0,2,0,0,0,0|1,0,0]=3 2258 B11R1.19 c1cc(ccc1F)S(=O)(=O)[O-] TS21681 [0,2,0,0,0,0|1,0,1]=4 2259 B11R1.19 c1cc(ccc1N)S(=O)(=O)F TS13644 [0,2,0,0,0,0|1,0,1]=4 2260 B11R1.19 c1cc(ccc1N)S(=O)(=O)N TS77872 [0,2,0,0,0,0|1,0,1]=4 2261 B11R1.19 c1cc(ccc1N)S(=O)(=O)O TS02088 [0,2,0,0,0,0|1,0,0]=3 2262 B11R1.19 c1cc(ccc1N)[As](=O)(O)O TS22172 [0,2,0,0,0,0|1,0,0]=3 2263 B11R1.19 c1cc(ccc1O)S(=O)(=O)N TS45617 [0,2,0,0,0,0|1,0,1]=4 2264 B11R1.19 c1cc(ccc1O)S(=O)(=O)O TS13461 [0,2,0,0,0,0|1,0,0]=3 2265 B11R1.19 c1cc(ccc1O)S(=O)(=O)[O-] TS18192 [0,2,0,0,0,0|1,0,1]=4 2266 B11R1.19 c1cc(ccc1O)S(=O)(=O)[O-] TS67381 [0,2,0,0,0,0|1,0,1]=4 2267 B11R1.19 c1cc(ccc1O)S(=O)(=O)[O-] TS72457 [0,2,0,0,0,0|1,0,1]=4 2268 B11R1.19 c1cc(ccc1O)[As](=O)(O)O TS49348 [0,2,0,0,0,0|1,0,0]=3 2269 B11R1.19 c1cc(ccc1S(=O)(=O)Cl)Br TS09592 [0,2,0,0,0,0|1,0,1]=4 2270 B11R1.19 c1cc(ccc1S(=O)(=O)Cl)Cl TS21078 [0,2,0,0,0,0|1,0,1]=4 2271 B11R1.19 c1cc(ccc1S(=O)(=O)Cl)I TS74816 [0,2,0,0,0,0|1,0,1]=4 2272 B11R1.19 c1cc(ccc1S(=O)(=O)N)Br TS56748 [0,2,0,0,0,0|1,0,1]=4 2273 B11R1.19 c1cc(ccc1S(=O)(=O)N)Cl TS33151 [0,2,0,0,0,0|1,0,1]=4 2274 B11R1.19 c1cc(ccc1S(=O)(=O)N)I TS34502 [0,2,0,0,0,0|1,0,1]=4 2275 B11R1.19 c1cc(ccc1S(=O)(=O)O)Br TS56897 [0,2,0,0,0,0|1,0,0]=3 2276 B11R1.19 c1cc(ccc1S(=O)(=O)O)Cl TS71061 [0,2,0,0,0,0|1,0,0]=3 2277 B11R1.19 c1cc(ccc1S(=O)(=O)[O-])Br TS33692 [0,2,0,0,0,0|1,0,1]=4 2278 B11R1.19 c1cc(ccc1S(=O)(=O)[O-])Cl TS24989 [0,2,0,0,0,0|1,0,1]=4 2279 B11R1.19 c1cc(ccc1S(=O)(=O)[O-])Cl TS44602 [0,2,0,0,0,0|1,0,1]=4 2280 B11R1.19 c1cc(ccc1S(=O)(=O)[O-])I TS77344 [0,2,0,0,0,0|1,0,1]=4 2281 B11R1.19 c1cc(ncc1O)S(=O)(=O)O TS13638 [0,2,0,0,0,0|2,0,0]=4 2282 B11R1.19 c1cc(ncc1S(=O)(=O)O)Cl TS55588 [0,2,0,0,0,0|2,0,0]=4 2283 B11R1.19 c1cc(ncc1S(=O)(=O)O)N TS13472 [0,2,0,0,0,0|2,0,0]=4 2284 B11R1.19 c1cc(ncc1S(=O)(=O)O)O TS13639 [0,2,0,0,0,0|2,0,0]=4 2285 B11R1.21 B(c1ccc(c(c1)C)C)(O)O TS65766 [0,2,0,0,0,0|1,0,1]=4 2286 B11R1.21 B(c1ccc(c(c1)C)Cl)(O)O TS09646 [0,2,0,0,0,0|1,0,1]=4 2287 B11R1.21 B(c1ccc(c(c1)C)F)(O)O TS70665 [0,2,0,0,0,0|1,0,1]=4 2288 B11R1.21 B(c1ccc(c(c1)Cl)C)(O)O TS65984 [0,2,0,0,0,0|1,0,1]=4 2289 B11R1.21 B(c1ccc(c(c1)Cl)Cl)(O)O TS65743 [0,2,0,0,0,0|1,0,1]=4 2290 B11R1.21 B(c1ccc(c(c1)Cl)F)(O)O TS02690 [0,2,0,0,0,0|1,0,1]=4 2291 B11R1.21 B(c1ccc(c(c1)Cl)O)(O)O TS13248 [0,2,0,0,0,0|1,0,1]=4 2292 B11R1.21 B(c1ccc(c(c1)F)Br)(O)O TS08995 [0,2,0,0,0,0|1,0,1]=4 2293 B11R1.21 B(c1ccc(c(c1)F)Cl)(O)O TS09638 [0,2,0,0,0,0|1,0,1]=4 2294 B11R1.21 B(c1ccc(c(c1)F)F)(O)O TS65758 [0,2,0,0,0,0|1,0,1]=4 2295 B11R1.21 B(c1ccc(c(c1)F)O)(O)O TS02041 [0,2,0,0,0,0|1,0,1]=4 2296 B11R1.21 B(c1ccc(c(c1)N)C)(O)O TS40959 [0,2,0,0,0,0|1,0,1]=4 2297 B11R1.21 B(c1ccc(c(c1)N)C)(O)O TS50603 [0,2,0,0,0,0|1,0,1]=4 2298 B11R1.21 B(c1ccc(c(c1)N)Cl)(O)O TS20465 [0,2,0,0,0,0|1,0,1]=4 2299 B11R1.21 B(c1ccc(c(c1)N)F)(O)O TS65072 [0,2,0,0,0,0|1,0,1]=4 2300 B11R1.21 CC(=O)c1ccc(c(c1)Br)F TS60007 [0,2,0,0,0,0|1,0,0]=3 2301 B11R1.21 CC(=O)c1ccc(c(c1)Br)N TS64986 [0,2,0,0,0,0|1,0,0]=3 2302 B11R1.21 CC(=O)c1ccc(c(c1)Cl)Cl TS02537 [0,2,0,0,0,0|1,0,0]=3 2303 B11R1.21 CC(=O)c1ccc(c(c1)Cl)F TS02680 [0,2,0,0,0,0|1,0,0]=3 2304 B11R1.21 CC(=O)c1ccc(c(c1)Cl)N TS12728 [0,2,0,0,0,0|1,0,0]=3 2305 B11R1.21 CC(=O)c1ccc(c(c1)Cl)O TS45230 [0,2,0,0,0,0|1,0,0]=3 2306 B11R1.21 CC(=O)c1ccc(c(c1)F)Br TS08979 [0,2,0,0,0,0|1,0,0]=3 2307 B11R1.21 CC(=O)c1ccc(c(c1)F)Cl TS07777 [0,2,0,0,0,0|1,0,0]=3 2308 B11R1.21 CC(=O)c1ccc(c(c1)F)O TS41343 [0,2,0,0,0,0|1,0,0]=3 2309 B11R1.21 CC(=O)c1ccc(c(c1)N)Cl TS12718 [0,2,0,0,0,0|1,0,0]=3 2310 B11R1.21 CC(=O)c1ccc(c(c1)N)F TS65466 [0,2,0,0,0,0|1,0,0]=3 2311 B11R1.21 CC(=O)c1ccc(c(c1)O)O TS10132 [0,2,0,0,0,0|1,0,0]=3 2312 B11R1.21 CC(c1ccc(c(c1)Cl)F)O TS13589 [0,2,0,0,0,0|1,0,1]=4 2313 B11R1.21 Cc1c(cc(cn1)C(=O)O)N TS90571 [0,2,0,0,0,0|1,0,0]=3 2314 B11R1.21 Cc1cc(ccc1Br)C(=O)N TS44447 [0,2,0,0,0,0|1,0,0]=3 2315 B11R1.21 Cc1cc(ccc1Br)C(=O)O TS09586 [0,2,0,0,0,0|0,0,0]=2 2316 B11R1.21 Cc1cc(ccc1Br)[N+](=O)[O-] TS85255 [0,2,0,0,0,0|1,0,1]=4 2317 B11R1.21 Cc1cc(ccc1Cl)C(=O)C TS12619 [0,2,0,0,0,0|1,0,0]=3 2318 B11R1.21 Cc1cc(ccc1Cl)C(=O)O TS29440 [0,2,0,0,0,0|0,0,0]=2 2319 B11R1.21 Cc1cc(ccc1Cl)[N+](=O)[O-] TS13068 [0,2,0,0,0,0|1,0,1]=4 2320 B11R1.21 Cc1cc(ccc1F)C(=O)C TS10166 [0,2,0,0,0,0|1,0,0]=3 2321 B11R1.21 Cc1cc(ccc1F)C(=O)Cl TS45554 [0,2,0,0,0,0|1,0,0]=3 2322 B11R1.21 Cc1cc(ccc1F)C(=O)N TS10310 [0,2,0,0,0,0|1,0,0]=3 2323 B11R1.21 Cc1cc(ccc1F)C(=O)O TS71120 [0,2,0,0,0,0|0,0,0]=2 2324 B11R1.21 Cc1cc(ccc1F)[N+](=O)[O-] TS01018 [0,2,0,0,0,0|1,0,1]=4 2325 B11R1.21 Cc1cc(ccc1I)C(=O)O TS07798 [0,2,0,0,0,0|0,0,0]=2 2326 B11R1.21 Cc1cc(ccc1I)[N+](=O)[O-] TS68683 [0,2,0,0,0,0|1,0,1]=4 2327 B11R1.21 Cc1cc(ccc1N)C(=O)O TS70890 [0,2,0,0,0,0|0,0,0]=2 2328 B11R1.21 Cc1cc(ccc1N)[N+](=O)[O-] TS01124 [0,2,0,0,0,0|1,0,1]=4 2329 B11R1.21 Cc1cc(ccc1O)C(=O)C TS03116 [0,2,0,0,0,0|1,0,0]=3 2330 B11R1.21 Cc1cc(ccc1O)C(=O)O TS32971 [0,2,0,0,0,0|0,0,0]=2 2331 B11R1.21 Cc1cc(ccc1O)[N+](=O)[O-] TS55449 [0,2,0,0,0,0|1,0,1]=4 2332 B11R1.21 Cc1ccc(cc1Br)C(=O)C TS60336 [0,2,0,0,0,0|1,0,0]=3 2333 B11R1.21 Cc1ccc(cc1Br)C(=O)Cl TS53519 [0,2,0,0,0,0|1,0,0]=3 2334 B11R1.21 Cc1ccc(cc1Br)C(=O)O TS09456 [0,2,0,0,0,0|0,0,0]=2 2335 B11R1.21 Cc1ccc(cc1Br)[N+](=O)[O-] TS16848 [0,2,0,0,0,0|1,0,1]=4 2336 B11R1.21 Cc1ccc(cc1C)C(=N)N TS15398 [0,2,0,0,0,0|2,0,0]=4 2337 B11R1.21 Cc1ccc(cc1C)C(=N)N TS40675 [0,2,0,0,0,0|2,0,0]=4 2338 B11R1.21 Cc1ccc(cc1C)C(=O)C TS07474 [0,2,0,0,0,0|1,0,0]=3 2339 B11R1.21 Cc1ccc(cc1C)C(=O)Cl TS44947 [0,2,0,0,0,0|1,0,0]=3 2340 B11R1.21 Cc1ccc(cc1C)C(=O)N TS40750 [0,2,0,0,0,0|1,0,0]=3 2341 B11R1.21 Cc1ccc(cc1C)C(=O)O TS40862 [0,2,0,0,0,0|0,0,0]=2 2342 B11R1.21 Cc1ccc(cc1C)C(=S)N TS12085 [0,2,0,0,0,0|1,1,0]=4 2343 B11R1.21 Cc1ccc(cc1C)[N+](=O)[O-] TS71255 [0,2,0,0,0,0|1,0,1]=4 2344 B11R1.21 Cc1ccc(cc1Cl)C(=O)N TS12720 [0,2,0,0,0,0|1,0,0]=3 2345 B11R1.21 Cc1ccc(cc1Cl)C(=O)O TS65499 [0,2,0,0,0,0|0,0,0]=2 2346 B11R1.21 Cc1ccc(cc1Cl)[N+](=O)[O-] TS13077 [0,2,0,0,0,0|1,0,1]=4 2347 B11R1.21 Cc1ccc(cc1F)C(=N)N TS50835 [0,2,0,0,0,0|2,0,0]=4 2348 B11R1.21 Cc1ccc(cc1F)C(=O)C TS02754 [0,2,0,0,0,0|1,0,0]=3 2349 B11R1.21 Cc1ccc(cc1F)C(=O)Cl TS13268 [0,2,0,0,0,0|1,0,0]=3 2350 B11R1.21 Cc1ccc(cc1F)C(=O)O TS02756 [0,2,0,0,0,0|0,0,0]=2 2351 B11R1.21 Cc1ccc(cc1F)C(=S)N TS45015 [0,2,0,0,0,0|1,1,0]=4 2352 B11R1.21 Cc1ccc(cc1F)[N+](=O)[O-] TS55349 [0,2,0,0,0,0|1,0,1]=4 2353 B11R1.21 Cc1ccc(cc1I)C(=O)O TS29738 [0,2,0,0,0,0|0,0,0]=2 2354 B11R1.21 Cc1ccc(cc1I)[N+](=O)[O-] TS29872 [0,2,0,0,0,0|1,0,1]=4 2355 B11R1.21 Cc1ccc(cc1N)C(=O)N TS40875 [0,2,0,0,0,0|1,0,0]=3 2356 B11R1.21 Cc1ccc(cc1N)C(=O)O TS65862 [0,2,0,0,0,0|0,0,0]=2 2357 B11R1.21 Cc1ccc(cc1N)[N+](=O)[O-] TS00097 [0,2,0,0,0,0|1,0,1]=4 2358 B11R1.21 Cc1ccc(cc1O)C(=O)C TS40839 [0,2,0,0,0,0|1,0,0]=3 2359 B11R1.21 Cc1ccc(cc1O)C(=O)O TS70609 [0,2,0,0,0,0|0,0,0]=2 2360 B11R1.21 Cc1ccc(cc1O)[N+](=O)[O-] TS41253 [0,2,0,0,0,0|1,0,1]=4 2361 B11R1.21 Cc1cnc(cn1=O)C(=O)O TS55719 [0,2,0,0,0,0|2,0,0]=4 2362 B11R1.21 Cn1c(=O)ccc(n1)C(=O)O TS86196 [0,2,0,0,0,0|2,0,0]=4 2363 B11R1.21 Cn1cc(ccc1=O)C(=O)O TS60217 [0,2,0,0,0,0|1,0,0]=3 2364 B11R1.21 Cn1ccc(cc1=O)C(=O)O TS91097 [0,2,0,0,0,0|1,0,0]=3 2365 B11R1.21 c1c(c(cnc1C(=O)O)Br)N TS88263 [0,2,0,0,0,0|1,0,0]=3 2366 B11R1.21 c1c(cnc(c1Br)Br)C(=O)O TS85449 [0,2,0,0,0,0|1,0,0]=3 2367 B11R1.21 c1c(cnc(c1Br)Cl)C(=O)O TS71449 [0,2,0,0,0,0|1,0,0]=3 2368 B11R1.21 c1c(cnc(c1Br)O)C(=O)O TS55603 [0,2,0,0,0,0|1,0,0]=3 2369 B11R1.21 c1c(cnc(c1Cl)Cl)C(=O)O TS71337 [0,2,0,0,0,0|1,0,0]=3 2370 B11R1.21 c1c(cnc(c1Cl)O)C(=O)O TS71450 [0,2,0,0,0,0|1,0,0]=3 2371 B11R1.21 c1c(cnc(c1F)F)C(=O)O TS86664 [0,2,0,0,0,0|1,0,0]=3 2372 B11R1.21 c1c(nc(c(n1)N)Br)C(=O)O TS89514 [0,2,0,0,0,0|2,0,0]=4 2373 B11R1.21 c1c(nc(c(n1)N)I)C(=O)O TS92409 [0,2,0,0,0,0|2,0,0]=4 2374 B11R1.21 c1cc(c(cc1C(=N)N)Br)F TS28516 [0,2,0,0,0,0|2,0,0]=4 2375 B11R1.21 c1cc(c(cc1C(=N)N)Cl)F TS20682 [0,2,0,0,0,0|2,0,0]=4 2376 B11R1.21 c1cc(c(cc1C(=N)N)Cl)F TS45558 [0,2,0,0,0,0|2,0,0]=4 2377 B11R1.21 c1cc(c(cc1C(=N)N)F)Br TS22165 [0,2,0,0,0,0|2,0,0]=4 2378 B11R1.21 c1cc(c(cc1C(=N)N)F)F TS10659 [0,2,0,0,0,0|2,0,0]=4 2379 B11R1.21 c1cc(c(cc1C(=N)N)F)F TS17575 [0,2,0,0,0,0|2,0,0]=4 2380 B11R1.21 c1cc(c(cc1C(=O)Cl)Br)F TS26099 [0,2,0,0,0,0|1,0,0]=3 2381 B11R1.21 c1cc(c(cc1C(=O)Cl)Cl)Cl TS20791 [0,2,0,0,0,0|1,0,0]=3 2382 B11R1.21 c1cc(c(cc1C(=O)Cl)Cl)F TS02684 [0,2,0,0,0,0|1,0,0]=3 2383 B11R1.21 c1cc(c(cc1C(=O)Cl)F)F TS13940 [0,2,0,0,0,0|1,0,0]=3 2384 B11R1.21 c1cc(c(cc1C(=O)F)Br)F TS23218 [0,2,0,0,0,0|1,0,0]=3 2385 B11R1.21 c1cc(c(cc1C(=O)F)Cl)F TS13939 [0,2,0,0,0,0|1,0,0]=3 2386 B11R1.21 c1cc(c(cc1C(=O)N)Cl)Cl TS16284 [0,2,0,0,0,0|1,0,0]=3 2387 B11R1.21 c1cc(c(cc1C(=O)N)Cl)F TS13402 [0,2,0,0,0,0|1,0,0]=3 2388 B11R1.21 c1cc(c(cc1C(=O)N)F)F TS41742 [0,2,0,0,0,0|1,0,0]=3 2389 B11R1.21 c1cc(c(cc1C(=O)N)N)Cl TS45237 [0,2,0,0,0,0|1,0,0]=3 2390 B11R1.21 c1cc(c(cc1C(=O)N)O)O TS10289 [0,2,0,0,0,0|1,0,0]=3 2391 B11R1.21 c1cc(c(cc1C(=O)O)Br)Br TS54284 [0,2,0,0,0,0|0,0,0]=2 2392 B11R1.21 c1cc(c(cc1C(=O)O)Br)Cl TS65915 [0,2,0,0,0,0|0,0,0]=2 2393 B11R1.21 c1cc(c(cc1C(=O)O)Br)N TS39467 [0,2,0,0,0,0|0,0,0]=2 2394 B11R1.21 c1cc(c(cc1C(=O)O)Br)O TS22772 [0,2,0,0,0,0|0,0,0]=2 2395 B11R1.21 c1cc(c(cc1C(=O)O)Cl)Br TS25787 [0,2,0,0,0,0|0,0,0]=2 2396 B11R1.21 c1cc(c(cc1C(=O)O)Cl)Cl TS22870 [0,2,0,0,0,0|0,0,0]=2 2397 B11R1.21 c1cc(c(cc1C(=O)O)Cl)F TS02682 [0,2,0,0,0,0|0,0,0]=2 2398 B11R1.21 c1cc(c(cc1C(=O)O)Cl)N TS70877 [0,2,0,0,0,0|0,0,0]=2 2399 B11R1.21 c1cc(c(cc1C(=O)O)Cl)O TS13256 [0,2,0,0,0,0|0,0,0]=2 2400 B11R1.21 c1cc(c(cc1C(=O)O)F)Br TS08993 [0,2,0,0,0,0|0,0,0]=2 2401 B11R1.21 c1cc(c(cc1C(=O)O)F)Cl TS71036 [0,2,0,0,0,0|0,0,0]=2 2402 B11R1.21 c1cc(c(cc1C(=O)O)F)F TS65752 [0,2,0,0,0,0|0,0,0]=2 2403 B11R1.21 c1cc(c(cc1C(=O)O)F)I TS65510 [0,2,0,0,0,0|0,0,0]=2 2404 B11R1.21 c1cc(c(cc1C(=O)O)F)N TS70880 [0,2,0,0,0,0|0,0,0]=2 2405 B11R1.21 c1cc(c(cc1C(=O)O)F)O TS08980 [0,2,0,0,0,0|0,0,0]=2 2406 B11R1.21 c1cc(c(cc1C(=O)O)I)Cl TS09641 [0,2,0,0,0,0|0,0,0]=2 2407 B11R1.21 c1cc(c(cc1C(=O)O)I)F TS39502 [0,2,0,0,0,0|0,0,0]=2 2408 B11R1.21 c1cc(c(cc1C(=O)O)I)I TS66955 [0,2,0,0,0,0|0,0,0]=2 2409 B11R1.21 c1cc(c(cc1C(=O)O)I)N TS60370 [0,2,0,0,0,0|0,0,0]=2 2410 B11R1.21 c1cc(c(cc1C(=O)O)I)O TS29986 [0,2,0,0,0,0|0,0,0]=2 2411 B11R1.21 c1cc(c(cc1C(=O)O)N)Br TS65851 [0,2,0,0,0,0|0,0,0]=2 2412 B11R1.21 c1cc(c(cc1C(=O)O)N)Cl TS13071 [0,2,0,0,0,0|0,0,0]=2 2413 B11R1.21 c1cc(c(cc1C(=O)O)N)F TS17374 [0,2,0,0,0,0|0,0,0]=2 2414 B11R1.21 c1cc(c(cc1C(=O)O)N)F TS41487 [0,2,0,0,0,0|0,0,0]=2 2415 B11R1.21 c1cc(c(cc1C(=O)O)N)N TS59993 [0,2,0,0,0,0|0,0,0]=2 2416 B11R1.21 c1cc(c(cc1C(=O)O)N)O TS50979 [0,2,0,0,0,0|0,0,0]=2 2417 B11R1.21 c1cc(c(cc1C(=O)O)O)Br TS94884 [0,2,0,0,0,0|0,0,0]=2 2418 B11R1.21 c1cc(c(cc1C(=O)O)O)Cl TS09639 [0,2,0,0,0,0|0,0,0]=2 2419 B11R1.21 c1cc(c(cc1C(=O)O)O)F TS39500 [0,2,0,0,0,0|0,0,0]=2 2420 B11R1.21 c1cc(c(cc1C(=O)O)O)I TS70605 [0,2,0,0,0,0|0,0,0]=2 2421 B11R1.21 c1cc(c(cc1C(=O)O)O)N TS70884 [0,2,0,0,0,0|0,0,0]=2 2422 B11R1.21 c1cc(c(cc1C(=O)O)O)O TS02549 [0,2,0,0,0,0|0,0,0]=2 2423 B11R1.21 c1cc(c(cc1C(=O)O)S)N TS45012 [0,2,0,0,0,0|0,0,0]=2 2424 B11R1.21 c1cc(c(cc1C(=O)[O-])F)F TS14506 [0,2,0,0,0,0|0,0,1]=3 2425 B11R1.21 c1cc(c(cc1C(=O)[O-])O)O TS51442 [0,2,0,0,0,0|0,0,1]=3 2426 B11R1.21 c1cc(c(cc1C(=S)N)Cl)Cl TS38924 [0,2,0,0,0,0|1,1,0]=4 2427 B11R1.21 c1cc(c(cc1C(=S)N)Cl)F TS16258 [0,2,0,0,0,0|1,1,0]=4 2428 B11R1.21 c1cc(c(cc1N(=O)=O)Br)Cl TS65917 [0,2,0,0,0,0|1,0,1]=4 2429 B11R1.21 c1cc(c(cc1N(=O)=O)Br)F TS09447 [0,2,0,0,0,0|1,0,1]=4 2430 B11R1.21 c1cc(c(cc1N(=O)=O)Cl)Cl TS51388 [0,2,0,0,0,0|1,0,1]=4 2431 B11R1.21 c1cc(c(cc1N(=O)=O)Cl)F TS02686 [0,2,0,0,0,0|1,0,1]=4 2432 B11R1.21 c1cc(c(cc1N(=O)=O)Cl)I TS54659 [0,2,0,0,0,0|1,0,1]=4 2433 B11R1.21 c1cc(c(cc1N(=O)=O)F)Cl TS09635 [0,2,0,0,0,0|1,0,1]=4 2434 B11R1.21 c1cc(c(cc1N(=O)=O)F)F TS65757 [0,2,0,0,0,0|1,0,1]=4 2435 B11R1.21 c1cc(c(cc1N(=O)=O)F)I TS02751 [0,2,0,0,0,0|1,0,1]=4 2436 B11R1.21 c1cc(c(cc1S(=O)[O-])Cl)Cl TS30625 [0,2,0,0,0,0|1,0,1]=4 2437 B11R1.21 c1cc(c(cc1[N+](=O)[O-])Br)N TS08338 [0,2,0,0,0,0|1,0,1]=4 2438 B11R1.21 c1cc(c(cc1[N+](=O)[O-])Br)O TS55107 [0,2,0,0,0,0|1,0,1]=4 2439 B11R1.21 c1cc(c(cc1[N+](=O)[O-])Cl)N TS00070 [0,2,0,0,0,0|1,0,1]=4 2440 B11R1.21 c1cc(c(cc1[N+](=O)[O-])Cl)O TS00892 [0,2,0,0,0,0|1,0,1]=4 2441 B11R1.21 c1cc(c(cc1[N+](=O)[O-])F)N TS02164 [0,2,0,0,0,0|1,0,1]=4 2442 B11R1.21 c1cc(c(cc1[N+](=O)[O-])I)Cl TS54658 [0,2,0,0,0,0|1,0,1]=4 2443 B11R1.21 c1cc(c(cc1[N+](=O)[O-])I)I TS67002 [0,2,0,0,0,0|1,0,1]=4 2444 B11R1.21 c1cc(c(cc1[N+](=O)[O-])I)N TS01071 [0,2,0,0,0,0|1,0,1]=4 2445 B11R1.21 c1cc(c(cc1[N+](=O)[O-])I)O TS02010 [0,2,0,0,0,0|1,0,1]=4 2446 B11R1.21 c1cc(c(cc1[N+](=O)[O-])N)Br TS55130 [0,2,0,0,0,0|1,0,1]=4 2447 B11R1.21 c1cc(c(cc1[N+](=O)[O-])N)Cl TS00918 [0,2,0,0,0,0|1,0,1]=4 2448 B11R1.21 c1cc(c(cc1[N+](=O)[O-])N)F TS01011 [0,2,0,0,0,0|1,0,1]=4 2449 B11R1.21 c1cc(c(cc1[N+](=O)[O-])N)N TS09756 [0,2,0,0,0,0|1,0,1]=4 2450 B11R1.21 c1cc(c(cc1[N+](=O)[O-])N)N TS50981 [0,2,0,0,0,0|1,0,1]=4 2451 B11R1.21 c1cc(c(cc1[N+](=O)[O-])N)O TS00757 [0,2,0,0,0,0|1,0,1]=4 2452 B11R1.21 c1cc(c(cc1[N+](=O)[O-])N)O TS13773 [0,2,0,0,0,0|1,0,1]=4 2453 B11R1.21 c1cc(c(cc1[N+](=O)[O-])O)Cl TS00923 [0,2,0,0,0,0|1,0,1]=4 2454 B11R1.21 c1cc(c(cc1[N+](=O)[O-])O)F TS01016 [0,2,0,0,0,0|1,0,1]=4 2455 B11R1.21 c1cc(c(cc1[N+](=O)[O-])O)N TS47449 [0,2,0,0,0,0|1,0,1]=4 2456 B11R1.21 c1cc(c(cc1[N+](=O)[O-])O)O TS09749 [0,2,0,0,0,0|1,0,1]=4 2457 B11R1.22 CC(=NO)c1ccc(cc1)Cl TS12722 [0,2,0,0,0,0|1,0,0]=3 2458 B11R1.22 CC(=NO)c1ccc(cc1)F TS10313 [0,2,0,0,0,0|1,0,0]=3 2459 B11R1.22 CCC(=O)c1ccc(cc1)Br TS21445 [0,2,0,0,0,0|1,0,0]=3 2460 B11R1.22 CCC(=O)c1ccc(cc1)C TS03180 [0,2,0,0,0,0|1,0,0]=3 2461 B11R1.22 CCC(=O)c1ccc(cc1)Cl TS44952 [0,2,0,0,0,0|1,0,0]=3 2462 B11R1.22 CCC(=O)c1ccc(cc1)F TS10167 [0,2,0,0,0,0|1,0,0]=3 2463 B11R1.22 CCC(=O)c1ccc(cc1)N TS70916 [0,2,0,0,0,0|1,0,0]=3 2464 B11R1.22 CCC(=O)c1ccc(cc1)O TS03135 [0,2,0,0,0,0|1,0,0]=3 2465 B11R1.22 CNC(=O)c1ccc(cc1)N TS70781 [0,2,0,0,0,0|1,0,0]=3 2466 B11R1.22 COC(=N)c1ccc(cc1)O TS15875 [0,2,0,0,0,0|1,0,0]=3 2467 B11R1.22 COC(=O)c1ccc(=O)oc1 TS10386 [0,2,0,0,0,0|1,0,0]=3 2468 B11R1.22 COC(=O)c1ccc(cc1)Br TS56290 [0,2,0,0,0,0|0,0,0]=2 2469 B11R1.22 COC(=O)c1ccc(cc1)Cl TS12922 [0,2,0,0,0,0|0,0,0]=2 2470 B11R1.22 COC(=O)c1ccc(cc1)F TS16564 [0,2,0,0,0,0|0,0,0]=2 2471 B11R1.22 COC(=O)c1ccc(cc1)I TS16571 [0,2,0,0,0,0|0,0,0]=2 2472 B11R1.22 COC(=O)c1ccc(cc1)N TS08594 [0,2,0,0,0,0|0,0,0]=2 2473 B11R1.22 COC(=O)c1ccc(cc1)N TS50621 [0,2,0,0,0,0|0,0,0]=2 2474 B11R1.22 COC(=O)c1ccc(cc1)O TS10133 [0,2,0,0,0,0|0,0,0]=2 2475 B11R1.22 COC(=O)c1ccc(cc1)O TS13446 [0,2,0,0,0,0|0,0,0]=2 2476 B11R1.22 COC(=O)c1ccc(cc1)O TS51124 [0,2,0,0,0,0|0,0,0]=2 2477 B11R1.22 COC(=O)c1ccc(cn1)Br TS56306 [0,2,0,0,0,0|1,0,0]=3 2478 B11R1.22 COC(=O)c1ccc(cn1)Cl TS85378 [0,2,0,0,0,0|1,0,0]=3 2479 B11R1.22 COC(=O)c1ccc(cn1)N TS89566 [0,2,0,0,0,0|1,0,0]=3 2480 B11R1.22 COC(=O)c1ccc(cn1)O TS89919 [0,2,0,0,0,0|1,0,0]=3 2481 B11R1.22 COC(=O)c1ccc(nc1)Br TS16473 [0,2,0,0,0,0|1,0,0]=3 2482 B11R1.22 COC(=O)c1ccc(nc1)Cl TS59656 [0,2,0,0,0,0|1,0,0]=3 2483 B11R1.22 COC(=O)c1ccc(nc1)F TS32946 [0,2,0,0,0,0|1,0,0]=3 2484 B11R1.22 COC(=O)c1ccc(nc1)N TS16592 [0,2,0,0,0,0|1,0,0]=3 2485 B11R1.22 COC(=O)c1ccc(nc1)O TS91589 [0,2,0,0,0,0|1,0,0]=3 2486 B11R1.22 COC(=O)c1ccc(nn1)Cl TS16595 [0,2,0,0,0,0|2,0,0]=4 2487 B11R1.22 COC(=O)c1ccc(nn1)N TS91351 [0,2,0,0,0,0|2,0,0]=4 2488 B11R1.22 COC(=O)c1ccc(nn1)O TS86427 [0,2,0,0,0,0|2,0,0]=4 2489 B11R1.22 COC(=O)c1ccn(=O)cc1 TS41255 [0,2,0,0,0,0|1,0,0]=3 2490 B11R1.22 COC(=O)c1cnc(cn1)Cl TS03262 [0,2,0,0,0,0|2,0,0]=4 2491 B11R1.22 COC(=O)c1cnc(cn1)Cl TS91500 [0,2,0,0,0,0|2,0,0]=4 2492 B11R1.22 COC(=O)c1cnc(cn1)O TS16585 [0,2,0,0,0,0|2,0,0]=4 2493 B11R1.22 COC(=O)c1cnc(nc1)Cl TS87390 [0,2,0,0,0,0|2,0,0]=4 2494 B11R1.22 COC(=O)c1cnc(nc1)N TS89966 [0,2,0,0,0,0|2,0,0]=4 2495 B11R1.22 COC(=O)c1ncc(cn1)Br TS89654 [0,2,0,0,0,0|2,0,0]=4 2496 B11R1.22 COC(=O)c1ncc(cn1)N TS85632 [0,2,0,0,0,0|2,0,0]=4 2497 B11R1.22 COC(=O)c1ncc(cn1)N TS92309 [0,2,0,0,0,0|2,0,0]=4 2498 B11R1.22 COS(=O)c1ccc(cc1)Cl TS51207 [0,2,0,0,0,0|1,0,0]=3 2499 B11R1.22 Cc1ccc(cc1)C(=NO)N TS09881 [0,2,0,0,0,0|1,0,0]=3 2500 B11R1.22 Cc1ccc(cc1)C(=O)C#N TS07079 [0,2,0,0,0,0|1,0,0]=3 2501 B11R1.22 Cc1ccc(cc1)C(=O)C=O TS43032 [0,2,0,0,0,0|0,0,1]=3 2502 B11R1.22 Cc1ccc(cc1)C(=O)CBr TS39652 [0,2,0,0,0,0|1,0,0]=3 2503 B11R1.22 Cc1ccc(cc1)C(=O)CCl TS12617 [0,2,0,0,0,0|1,0,0]=3 2504 B11R1.22 Cc1ccc(cc1)C(=O)CN TS00760 [0,2,0,0,0,0|1,0,0]=3 2505 B11R1.22 Cc1ccc(cc1)C(=O)CN TS47411 [0,2,0,0,0,0|1,0,0]=3 2506 B11R1.22 Cc1ccc(cc1)C(=O)CO TS40865 [0,2,0,0,0,0|0,0,0]=2 2507 B11R1.22 Cc1ccc(cc1)C(=O)NC TS40742 [0,2,0,0,0,0|1,0,0]=3 2508 B11R1.22 Cc1ccc(cc1)C(=O)NN TS09899 [0,2,0,0,0,0|1,0,0]=3 2509 B11R1.22 Cc1ccc(cc1)C(=O)NO TS10030 [0,2,0,0,0,0|0,0,0]=2 2510 B11R1.22 Cc1ccc(cc1)C(=O)OC TS40843 [0,2,0,0,0,0|0,0,0]=2 2511 B11R1.22 Cc1ccc(cc1)C(C)C=O TS07460 [0,2,0,0,0,0|1,0,1]=4 2512 B11R1.22 Cc1ccc(cc1)S(=O)OC TS12833 [0,2,0,0,0,0|1,0,0]=3 2513 B11R1.22 Cc1ccc(cc1)[C@H](C#N)O TS40536 [0,2,0,0,0,0|1,0,1]=4 2514 B11R1.22 Cc1ccc(cn1)C(=O)OC TS56309 [0,2,0,0,0,0|1,0,0]=3 2515 B11R1.22 Cc1cnc(cn1)C(=O)OC TS16587 [0,2,0,0,0,0|2,0,0]=4 2516 B11R1.22 Cc1cnc(nc1)C(=O)OC TS90131 [0,2,0,0,0,0|2,0,0]=4 2517 B11R1.22 Cc1ncc(cn1)C(=O)OC TS85722 [0,2,0,0,0,0|2,0,0]=4 2518 B11R1.22 c1cc(=O)[nH]cc1C(=O)NN TS10296 [0,2,0,0,0,0|2,0,0]=4 2519 B11R1.22 c1cc(ccc1C(=N)NO)F TS41354 [0,2,0,0,0,0|1,0,0]=3 2520 B11R1.22 c1cc(ccc1C(=NO)Cl)F TS13400 [0,2,0,0,0,0|1,0,0]=3 2521 B11R1.22 c1cc(ccc1C(=NO)N)Cl TS22841 [0,2,0,0,0,0|1,0,0]=3 2522 B11R1.22 c1cc(ccc1C(=NO)N)F TS10396 [0,2,0,0,0,0|1,0,0]=3 2523 B11R1.22 c1cc(ccc1C(=NO)N)N TS41020 [0,2,0,0,0,0|1,0,0]=3 2524 B11R1.22 c1cc(ccc1C(=NO)N)O TS41106 [0,2,0,0,0,0|1,0,0]=3 2525 B11R1.22 c1cc(ccc1C(=O)C#N)Br TS43721 [0,2,0,0,0,0|1,0,0]=3 2526 B11R1.22 c1cc(ccc1C(=O)C#N)Cl TS42963 [0,2,0,0,0,0|1,0,0]=3 2527 B11R1.22 c1cc(ccc1C(=O)C#N)F TS59853 [0,2,0,0,0,0|1,0,0]=3 2528 B11R1.22 c1cc(ccc1C(=O)C=O)Br TS44288 [0,2,0,0,0,0|0,0,1]=3 2529 B11R1.22 c1cc(ccc1C(=O)C=O)Br TS71005 [0,2,0,0,0,0|0,0,1]=3 2530 B11R1.22 c1cc(ccc1C(=O)C=O)Cl TS15718 [0,2,0,0,0,0|0,0,1]=3 2531 B11R1.22 c1cc(ccc1C(=O)C=O)Cl TS44934 [0,2,0,0,0,0|0,0,1]=3 2532 B11R1.22 c1cc(ccc1C(=O)C=O)O TS12485 [0,2,0,0,0,0|0,0,1]=3 2533 B11R1.22 c1cc(ccc1C(=O)CBr)Br TS31287 [0,2,0,0,0,0|1,0,0]=3 2534 B11R1.22 c1cc(ccc1C(=O)CBr)F TS00837 [0,2,0,0,0,0|1,0,0]=3 2535 B11R1.22 c1cc(ccc1C(=O)CBr)I TS00840 [0,2,0,0,0,0|1,0,0]=3 2536 B11R1.22 c1cc(ccc1C(=O)CBr)N TS08872 [0,2,0,0,0,0|1,0,0]=3 2537 B11R1.22 c1cc(ccc1C(=O)CCl)Br TS53521 [0,2,0,0,0,0|1,0,0]=3 2538 B11R1.22 c1cc(ccc1C(=O)CCl)Cl TS50850 [0,2,0,0,0,0|1,0,0]=3 2539 B11R1.22 c1cc(ccc1C(=O)CCl)F TS55185 [0,2,0,0,0,0|1,0,0]=3 2540 B11R1.22 c1cc(ccc1C(=O)CCl)O TS12920 [0,2,0,0,0,0|1,0,0]=3 2541 B11R1.22 c1cc(ccc1C(=O)CF)Cl TS08166 [0,2,0,0,0,0|1,0,0]=3 2542 B11R1.22 c1cc(ccc1C(=O)CN)Br TS08267 [0,2,0,0,0,0|1,0,0]=3 2543 B11R1.22 c1cc(ccc1C(=O)CN)Br TS70999 [0,2,0,0,0,0|1,0,0]=3 2544 B11R1.22 c1cc(ccc1C(=O)CO)Br TS44630 [0,2,0,0,0,0|0,0,0]=2 2545 B11R1.22 c1cc(ccc1C(=O)CO)Cl TS12909 [0,2,0,0,0,0|0,0,0]=2 2546 B11R1.22 c1cc(ccc1C(=O)CO)F TS41344 [0,2,0,0,0,0|0,0,0]=2 2547 B11R1.22 c1cc(ccc1C(=O)CO)I TS29736 [0,2,0,0,0,0|0,0,0]=2 2548 B11R1.22 c1cc(ccc1C(=O)NN)Br TS44646 [0,2,0,0,0,0|1,0,0]=3 2549 B11R1.22 c1cc(ccc1C(=O)NN)Cl TS45235 [0,2,0,0,0,0|1,0,0]=3 2550 B11R1.22 c1cc(ccc1C(=O)NN)F TS16671 [0,2,0,0,0,0|1,0,0]=3 2551 B11R1.22 c1cc(ccc1C(=O)NN)N TS41022 [0,2,0,0,0,0|1,0,0]=3 2552 B11R1.22 c1cc(ccc1C(=O)NN)O TS41128 [0,2,0,0,0,0|1,0,0]=3 2553 B11R1.22 c1cc(ccc1C(=O)NO)O TS10287 [0,2,0,0,0,0|0,0,0]=2 2554 B11R1.22 c1cc(ccc1C(C#N)O)O TS07544 [0,2,0,0,0,0|1,0,1]=4 2555 B11R1.22 c1cc(ccc1C(CCl)O)Cl TS51233 [0,2,0,0,0,0|1,0,1]=4 2556 B11R1.22 c1cc(ccc1C(CN)O)Br TS28392 [0,2,0,0,0,0|1,0,1]=4 2557 B11R1.22 c1cc(ccc1C(CN)O)Cl TS43395 [0,2,0,0,0,0|1,0,1]=4 2558 B11R1.22 c1cc(ccc1C(CN)O)F TS51366 [0,2,0,0,0,0|1,0,1]=4 2559 B11R1.22 c1cc(ccc1C(CN)O)O TS41283 [0,2,0,0,0,0|1,0,1]=4 2560 B11R1.22 c1cc(ccc1C(CO)Cl)Cl TS51225 [0,2,0,0,0,0|1,0,1]=4 2561 B11R1.22 c1cc(ccc1[C@@H](CCl)O)F TS13596 [0,2,0,0,0,0|1,0,1]=4 2562 B11R1.22 c1cc(ccc1[C@H](C#N)O)Cl TS43273 [0,2,0,0,0,0|1,0,1]=4 2563 B11R1.22 c1cc(ccc1[C@H](CCl)O)F TS13604 [0,2,0,0,0,0|1,0,1]=4 2564 B11R1.22 c1cc(ncc1C(=O)NN)Cl TS02149 [0,2,0,0,0,0|2,0,0]=4 2565 B11R1.22 c1cc(ncc1C(=O)NN)N TS10160 [0,2,0,0,0,0|2,0,0]=4 2566 B11R1.166 B(c1ccc(cc1C)Br)(O)O TS94834 [0,2,0,0,0,0|1,0,1]=4 2567 B11R1.166 B(c1ccc(cc1C)C)(O)O TS59922 [0,2,0,0,0,0|1,0,1]=4 2568 B11R1.166 B(c1ccc(cc1C)Cl)(O)O TS71021 [0,2,0,0,0,0|1,0,1]=4 2569 B11R1.166 B(c1ccc(cc1C)F)(O)O TS01122 [0,2,0,0,0,0|1,0,1]=4 2570 B11R1.166 B(c1ccc(cc1C)O)(O)O TS03104 [0,2,0,0,0,0|1,0,1]=4 2571 B11R1.166 B(c1ccc(cc1Cl)C)(O)O TS46381 [0,2,0,0,0,0|1,0,1]=4 2572 B11R1.166 B(c1ccc(cc1Cl)F)(O)O TS55215 [0,2,0,0,0,0|1,0,1]=4 2573 B11R1.166 B(c1ccc(cc1F)Br)(O)O TS16939 [0,2,0,0,0,0|1,0,1]=4 2574 B11R1.166 B(c1ccc(cc1F)C)(O)O TS55343 [0,2,0,0,0,0|1,0,1]=4 2575 B11R1.166 B(c1ccc(cc1F)Cl)(O)O TS03039 [0,2,0,0,0,0|1,0,1]=4 2576 B11R1.166 B(c1ccc(cc1F)F)(O)O TS93311 [0,2,0,0,0,0|1,0,1]=4 2577 B11R1.166 B(c1ccc(cc1F)I)(O)O TS08420 [0,2,0,0,0,0|1,0,1]=4 2578 B11R1.166 B(c1ccc(cc1O)C)(O)O TS85931 [0,2,0,0,0,0|1,0,1]=4 2579 B11R1.166 B(c1ccc(cc1O)F)(O)O TS07662 [0,2,0,0,0,0|1,0,1]=4 2580 B11R1.166 CC(=O)c1ccc(cc1Br)F TS55105 [0,2,0,0,0,0|1,0,0]=3 2581 B11R1.166 CC(=O)c1ccc(cc1Cl)Br TS53520 [0,2,0,0,0,0|1,0,0]=3 2582 B11R1.166 CC(=O)c1ccc(cc1Cl)Cl TS47210 [0,2,0,0,0,0|1,0,0]=3 2583 B11R1.166 CC(=O)c1ccc(cc1Cl)F TS09270 [0,2,0,0,0,0|1,0,0]=3 2584 B11R1.166 CC(=O)c1ccc(cc1Cl)O TS16676 [0,2,0,0,0,0|1,0,0]=3 2585 B11R1.166 CC(=O)c1ccc(cc1F)Br TS29433 [0,2,0,0,0,0|1,0,0]=3 2586 B11R1.166 CC(=O)c1ccc(cc1F)Cl TS09000 [0,2,0,0,0,0|1,0,0]=3 2587 B11R1.166 CC(=O)c1ccc(cc1F)F TS00626 [0,2,0,0,0,0|1,0,0]=3 2588 B11R1.166 CC(=O)c1ccc(cc1F)N TS41259 [0,2,0,0,0,0|1,0,0]=3 2589 B11R1.166 CC(=O)c1ccc(cc1F)O TS41347 [0,2,0,0,0,0|1,0,0]=3 2590 B11R1.166 CC(=O)c1ccc(cc1N)O TS41016 [0,2,0,0,0,0|1,0,0]=3 2591 B11R1.166 CC(=O)c1ccc(cc1O)Cl TS12914 [0,2,0,0,0,0|1,0,0]=3 2592 B11R1.166 CC(=O)c1ccc(cc1O)F TS09696 [0,2,0,0,0,0|1,0,0]=3 2593 B11R1.166 CC(=O)c1ccc(cc1O)N TS41012 [0,2,0,0,0,0|1,0,0]=3 2594 B11R1.166 CC(=O)c1ccc(cc1O)O TS47228 [0,2,0,0,0,0|1,0,0]=3 2595 B11R1.166 CC(c1ccc(cc1Cl)Cl)O TS51231 [0,2,0,0,0,0|1,0,1]=4 2596 B11R1.166 CC(c1ccc(cc1Cl)F)O TS13594 [0,2,0,0,0,0|1,0,1]=4 2597 B11R1.166 Cc1c(ccc(=O)[nH]1)C(=O)C TS10037 [0,2,0,0,0,0|2,0,0]=4 2598 B11R1.166 Cc1c(ccc(n1)F)C(=O)O TS55466 [0,2,0,0,0,0|1,0,0]=3 2599 B11R1.166 Cc1c(cnc(n1)C)C(=O)O TS22992 [0,2,0,0,0,0|2,0,0]=4 2600 B11R1.166 Cc1c(cnc(n1)N)C(=O)O TS10294 [0,2,0,0,0,0|2,0,0]=4 2601 B11R1.166 Cc1cc(c(cn1)C(=O)O)Cl TS86738 [0,2,0,0,0,0|1,0,0]=3 2602 B11R1.166 Cc1cc(c(cn1)C(=O)O)N TS86777 [0,2,0,0,0,0|1,0,0]=3 2603 B11R1.166 Cc1cc(c(cn1)C(=O)O)O TS71160 [0,2,0,0,0,0|1,0,0]=3 2604 B11R1.166 Cc1cc(c(nc1)C(=O)O)F TS90560 [0,2,0,0,0,0|1,0,0]=3 2605 B11R1.166 Cc1cc(ccc1C(=O)C)Cl TS12615 [0,2,0,0,0,0|1,0,0]=3 2606 B11R1.166 Cc1cc(ccc1C(=O)C)F TS09701 [0,2,0,0,0,0|1,0,0]=3 2607 B11R1.166 Cc1cc(ccc1C(=O)C)O TS71153 [0,2,0,0,0,0|1,0,0]=3 2608 B11R1.166 Cc1cc(ccc1C(=O)Cl)F TS45557 [0,2,0,0,0,0|1,0,0]=3 2609 B11R1.166 Cc1cc(ccc1C(=O)O)Br TS70960 [0,2,0,0,0,0|0,0,0]=2 2610 B11R1.166 Cc1cc(ccc1C(=O)O)Cl TS12928 [0,2,0,0,0,0|0,0,0]=2 2611 B11R1.166 Cc1cc(ccc1C(=O)O)F TS09702 [0,2,0,0,0,0|0,0,0]=2 2612 B11R1.166 Cc1cc(ccc1C(=O)O)N TS02967 [0,2,0,0,0,0|0,0,0]=2 2613 B11R1.166 Cc1cc(ccc1C(=O)O)O TS32970 [0,2,0,0,0,0|0,0,0]=2 2614 B11R1.166 Cc1cc(ccc1[N+](=O)[O-])Br TS16764 [0,2,0,0,0,0|1,0,1]=4 2615 B11R1.166 Cc1cc(ccc1[N+](=O)[O-])Cl TS03259 [0,2,0,0,0,0|1,0,1]=4 2616 B11R1.166 Cc1cc(ccc1[N+](=O)[O-])F TS93803 [0,2,0,0,0,0|1,0,1]=4 2617 B11R1.166 Cc1cc(ccc1[N+](=O)[O-])I TS68681 [0,2,0,0,0,0|1,0,1]=4 2618 B11R1.166 Cc1cc(ccc1[N+](=O)[O-])N TS02830 [0,2,0,0,0,0|1,0,1]=4 2619 B11R1.166 Cc1cc(ccc1[N+](=O)[O-])O TS39715 [0,2,0,0,0,0|1,0,1]=4 2620 B11R1.166 Cc1cc(cnc1C(=O)O)Br TS16975 [0,2,0,0,0,0|1,0,0]=3 2621 B11R1.166 Cc1cc(cnc1C(=O)O)Cl TS03270 [0,2,0,0,0,0|1,0,0]=3 2622 B11R1.166 Cc1cc(ncc1C(=O)O)C TS10035 [0,2,0,0,0,0|1,0,0]=3 2623 B11R1.166 Cc1cc(ncc1C(=O)O)N TS41121 [0,2,0,0,0,0|1,0,0]=3 2624 B11R1.166 Cc1ccc(c(=S)[nH]1)C(=O)C TS12412 [0,2,0,0,0,0|2,0,0]=4 2625 B11R1.166 Cc1ccc(c(c1)Br)C(=O)O TS08332 [0,2,0,0,0,0|0,0,0]=2 2626 B11R1.166 Cc1ccc(c(c1)C)C(=O)C TS07457 [0,2,0,0,0,0|1,0,0]=3 2627 B11R1.166 Cc1ccc(c(c1)C)C(=O)Cl TS02130 [0,2,0,0,0,0|1,0,0]=3 2628 B11R1.166 Cc1ccc(c(c1)C)C(=O)O TS40844 [0,2,0,0,0,0|0,0,0]=2 2629 B11R1.166 Cc1ccc(c(c1)C)C(C)O TS40893 [0,2,0,0,0,0|1,0,1]=4 2630 B11R1.166 Cc1ccc(c(c1)C)[N+](=O)[O-] TS41006 [0,2,0,0,0,0|1,0,1]=4 2631 B11R1.166 Cc1ccc(c(c1)Cl)C(=O)O TS09277 [0,2,0,0,0,0|0,0,0]=2 2632 B11R1.166 Cc1ccc(c(c1)Cl)[N+](=O)[O-] TS60350 [0,2,0,0,0,0|1,0,1]=4 2633 B11R1.166 Cc1ccc(c(c1)F)C(=O)O TS55341 [0,2,0,0,0,0|0,0,0]=2 2634 B11R1.166 Cc1ccc(c(c1)F)[N+](=O)[O-] TS70581 [0,2,0,0,0,0|1,0,1]=4 2635 B11R1.166 Cc1ccc(c(c1)I)[N+](=O)[O-] TS39443 [0,2,0,0,0,0|1,0,1]=4 2636 B11R1.166 Cc1ccc(c(c1)N)C(=O)N TS39258 [0,2,0,0,0,0|1,0,0]=3 2637 B11R1.166 Cc1ccc(c(c1)N)C(=O)O TS47412 [0,2,0,0,0,0|0,0,0]=2 2638 B11R1.166 Cc1ccc(c(c1)N)[N+](=O)[O-] TS65471 [0,2,0,0,0,0|1,0,1]=4 2639 B11R1.166 Cc1ccc(c(c1)O)C(=O)C TS40863 [0,2,0,0,0,0|1,0,0]=3 2640 B11R1.166 Cc1ccc(c(c1)O)C(=O)N TS40995 [0,2,0,0,0,0|1,0,0]=3 2641 B11R1.166 Cc1ccc(c(c1)O)C(=O)O TS39668 [0,2,0,0,0,0|0,0,0]=2 2642 B11R1.166 Cc1ccc(c(n1)C)C(=O)O TS40991 [0,2,0,0,0,0|1,0,0]=3 2643 B11R1.166 Cc1ccc(c(n1)Cl)C(=O)N TS45243 [0,2,0,0,0,0|2,0,0]=4 2644 B11R1.166 Cc1ccc(c(n1)Cl)C(=O)O TS09664 [0,2,0,0,0,0|1,0,0]=3 2645 B11R1.166 Cc1ccc(c(n1)N)C(=O)O TS91434 [0,2,0,0,0,0|1,0,0]=3 2646 B11R1.166 Cc1ccc(c(n1)O)C(=O)O TS01058 [0,2,0,0,0,0|1,0,0]=3 2647 B11R1.166 c1c(c(cnc1Cl)C(=O)N)Cl TS17219 [0,2,0,0,0,0|2,0,0]=4 2648 B11R1.166 c1c(c(cnc1Cl)C(=O)O)Cl TS02915 [0,2,0,0,0,0|1,0,0]=3 2649 B11R1.166 c1c(c(cnc1Cl)C(=O)O)N TS86044 [0,2,0,0,0,0|1,0,0]=3 2650 B11R1.166 c1c(c(cnc1F)C(=O)O)F TS02920 [0,2,0,0,0,0|1,0,0]=3 2651 B11R1.166 c1c(c(cnc1F)C(=O)O)N TS87893 [0,2,0,0,0,0|1,0,0]=3 2652 B11R1.166 c1c(c(cnc1O)C(=O)O)N TS41331 [0,2,0,0,0,0|1,0,0]=3 2653 B11R1.166 c1c(c(cnc1O)C(=O)O)O TS10557 [0,2,0,0,0,0|1,0,0]=3 2654 B11R1.166 c1c(c(nc(=O)[nH]1)N)C(=O)O TS59708 [0,2,0,0,0,0|2,0,0]=4 2655 B11R1.166 c1c(c(nc(n1)Cl)Cl)C(=O)O TS47200 [0,2,0,0,0,0|2,0,0]=4 2656 B11R1.166 c1c(c(nc(n1)S)O)C(=O)O TS13128 [0,2,0,0,0,0|2,0,0]=4 2657 B11R1.166 c1c(cnc(c1Br)C(=O)O)Br TS02579 [0,2,0,0,0,0|1,0,0]=3 2658 B11R1.166 c1c(cnc(c1Cl)C(=O)O)Cl TS65780 [0,2,0,0,0,0|1,0,0]=3 2659 B11R1.166 c1c(cnc(c1F)C(=O)O)Br TS86981 [0,2,0,0,0,0|1,0,0]=3 2660 B11R1.166 c1c(cnc(c1F)C(=O)O)F TS02590 [0,2,0,0,0,0|1,0,0]=3 2661 B11R1.166 c1c(cnc(c1N)C(=O)N)Br TS90046 [0,2,0,0,0,0|2,0,0]=4 2662 B11R1.166 c1c(cnc(c1N)C(=O)N)Cl TS13085 [0,2,0,0,0,0|2,0,0]=4 2663 B11R1.166 c1c(cnc(c1N)C(=O)O)Br TS89301 [0,2,0,0,0,0|1,0,0]=3 2664 B11R1.166 c1c(cnc(c1N)C(=O)O)Cl TS86310 [0,2,0,0,0,0|1,0,0]=3 2665 B11R1.166 c1c(cnc(c1N)C(=O)O)Cl TS89423 [0,2,0,0,0,0|1,0,0]=3 2666 B11R1.166 c1c(nc(c(n1)C(=O)O)Cl)Cl TS90418 [0,2,0,0,0,0|2,0,0]=4 2667 B11R1.166 c1cc(c(cc1Br)Br)C(=O)O TS22987 [0,2,0,0,0,0|0,0,0]=2 2668 B11R1.166 c1cc(c(cc1Br)Cl)C(=O)O TS25788 [0,2,0,0,0,0|0,0,0]=2 2669 B11R1.166 c1cc(c(cc1Br)F)C(=N)N TS28515 [0,2,0,0,0,0|2,0,0]=4 2670 B11R1.166 c1cc(c(cc1Br)F)C(=O)Cl TS26102 [0,2,0,0,0,0|1,0,0]=3 2671 B11R1.166 c1cc(c(cc1Br)F)C(=O)O TS16941 [0,2,0,0,0,0|0,0,0]=2 2672 B11R1.166 c1cc(c(cc1Br)I)C(=O)O TS77656 [0,2,0,0,0,0|0,0,0]=2 2673 B11R1.166 c1cc(c(cc1Br)N)C(=O)O TS47390 [0,2,0,0,0,0|0,0,0]=2 2674 B11R1.166 c1cc(c(cc1Br)O)C(=O)O TS70955 [0,2,0,0,0,0|0,0,0]=2 2675 B11R1.166 c1cc(c(cc1Br)O)[N+](=O)[O-] TS71436 [0,2,0,0,0,0|1,0,1]=4 2676 B11R1.166 c1cc(c(cc1Br)S)C(=O)O TS25338 [0,2,0,0,0,0|0,0,0]=2 2677 B11R1.166 c1cc(c(cc1Cl)Br)C(=O)O TS55098 [0,2,0,0,0,0|0,0,0]=2 2678 B11R1.166 c1cc(c(cc1Cl)Br)[N+](=O)[O-] TS55096 [0,2,0,0,0,0|1,0,1]=4 2679 B11R1.166 c1cc(c(cc1Cl)Cl)C(=N)N TS24062 [0,2,0,0,0,0|2,0,0]=4 2680 B11R1.166 c1cc(c(cc1Cl)Cl)C(=O)Cl TS20793 [0,2,0,0,0,0|1,0,0]=3 2681 B11R1.166 c1cc(c(cc1Cl)Cl)C(=O)N TS16280 [0,2,0,0,0,0|1,0,0]=3 2682 B11R1.166 c1cc(c(cc1Cl)Cl)C(=O)O TS17211 [0,2,0,0,0,0|0,0,0]=2 2683 B11R1.166 c1cc(c(cc1Cl)Cl)C(=S)N TS20102 [0,2,0,0,0,0|1,1,0]=4 2684 B11R1.166 c1cc(c(cc1Cl)Cl)N(=O)=O TS59919 [0,2,0,0,0,0|1,0,1]=4 2685 B11R1.166 c1cc(c(cc1Cl)F)C(=O)Cl TS17598 [0,2,0,0,0,0|1,0,0]=3 2686 B11R1.166 c1cc(c(cc1Cl)F)C(=O)O TS39483 [0,2,0,0,0,0|0,0,0]=2 2687 B11R1.166 c1cc(c(cc1Cl)F)N(=O)=O TS03042 [0,2,0,0,0,0|1,0,1]=4 2688 B11R1.166 c1cc(c(cc1Cl)I)C(=O)O TS39490 [0,2,0,0,0,0|0,0,0]=2 2689 B11R1.166 c1cc(c(cc1Cl)N)C(=O)O TS00744 [0,2,0,0,0,0|0,0,0]=2 2690 B11R1.166 c1cc(c(cc1Cl)N)[N+](=O)[O-] TS03255 [0,2,0,0,0,0|1,0,1]=4 2691 B11R1.166 c1cc(c(cc1Cl)O)C(=O)O TS39488 [0,2,0,0,0,0|0,0,0]=2 2692 B11R1.166 c1cc(c(cc1F)Br)C(=O)Cl TS26101 [0,2,0,0,0,0|1,0,0]=3 2693 B11R1.166 c1cc(c(cc1F)Br)C(=O)O TS08812 [0,2,0,0,0,0|0,0,0]=2 2694 B11R1.166 c1cc(c(cc1F)Br)N(=O)=O TS08320 [0,2,0,0,0,0|1,0,1]=4 2695 B11R1.166 c1cc(c(cc1F)Cl)C(=O)Cl TS00887 [0,2,0,0,0,0|1,0,0]=3 2696 B11R1.166 c1cc(c(cc1F)Cl)C(=O)N TS45695 [0,2,0,0,0,0|1,0,0]=3 2697 B11R1.166 c1cc(c(cc1F)Cl)C(=O)O TS00885 [0,2,0,0,0,0|0,0,0]=2 2698 B11R1.166 c1cc(c(cc1F)Cl)N(=O)=O TS00888 [0,2,0,0,0,0|1,0,1]=4 2699 B11R1.166 c1cc(c(cc1F)F)C(=N)N TS17577 [0,2,0,0,0,0|2,0,0]=4 2700 B11R1.166 c1cc(c(cc1F)F)C(=O)Cl TS13938 [0,2,0,0,0,0|1,0,0]=3 2701 B11R1.166 c1cc(c(cc1F)F)C(=O)N TS41744 [0,2,0,0,0,0|1,0,0]=3 2702 B11R1.166 c1cc(c(cc1F)F)C(=O)O TS00630 [0,2,0,0,0,0|0,0,0]=2 2703 B11R1.166 c1cc(c(cc1F)F)C(=O)[O-] TS14505 [0,2,0,0,0,0|0,0,1]=3 2704 B11R1.166 c1cc(c(cc1F)F)C(=S)N TS45603 [0,2,0,0,0,0|1,1,0]=4 2705 B11R1.166 c1cc(c(cc1F)F)N(=O)=O TS00634 [0,2,0,0,0,0|1,0,1]=4 2706 B11R1.166 c1cc(c(cc1F)I)C(=O)O TS09699 [0,2,0,0,0,0|0,0,0]=2 2707 B11R1.166 c1cc(c(cc1F)N)C(=O)O TS00751 [0,2,0,0,0,0|0,0,0]=2 2708 B11R1.166 c1cc(c(cc1F)N)[N+](=O)[O-] TS03303 [0,2,0,0,0,0|1,0,1]=4 2709 B11R1.166 c1cc(c(cc1F)O)C(=O)O TS09697 [0,2,0,0,0,0|0,0,0]=2 2710 B11R1.166 c1cc(c(cc1F)O)[N+](=O)[O-] TS03307 [0,2,0,0,0,0|1,0,1]=4 2711 B11R1.166 c1cc(c(cc1F)S)C(=O)O TS13135 [0,2,0,0,0,0|0,0,0]=2 2712 B11R1.166 c1cc(c(cc1I)Br)C(=O)O TS77655 [0,2,0,0,0,0|0,0,0]=2 2713 B11R1.166 c1cc(c(cc1I)F)C(=O)O TS09294 [0,2,0,0,0,0|0,0,0]=2 2714 B11R1.166 c1cc(c(cc1I)N)C(=O)O TS47401 [0,2,0,0,0,0|0,0,0]=2 2715 B11R1.166 c1cc(c(cc1I)O)C(=O)O TS65435 [0,2,0,0,0,0|0,0,0]=2 2716 B11R1.166 c1cc(c(cc1N)Br)[N+](=O)[O-] TS09460 [0,2,0,0,0,0|1,0,1]=4 2717 B11R1.166 c1cc(c(cc1N)Cl)C(=O)O TS02957 [0,2,0,0,0,0|0,0,0]=2 2718 B11R1.166 c1cc(c(cc1N)Cl)[N+](=O)[O-] TS13258 [0,2,0,0,0,0|1,0,1]=4 2719 B11R1.166 c1cc(c(cc1N)F)C(=O)O TS02962 [0,2,0,0,0,0|0,0,0]=2 2720 B11R1.166 c1cc(c(cc1N)F)[N+](=O)[O-] TS02760 [0,2,0,0,0,0|1,0,1]=4 2721 B11R1.166 c1cc(c(cc1N)N)C(=O)O TS41115 [0,2,0,0,0,0|0,0,0]=2 2722 B11R1.166 c1cc(c(cc1N)N)[N+](=O)[O-] TS10297 [0,2,0,0,0,0|1,0,1]=4 2723 B11R1.166 c1cc(c(cc1N)N)[N+](=O)[O-] TS62964 [0,2,0,0,0,0|1,0,1]=4 2724 B11R1.166 c1cc(c(cc1N)O)C(=O)O TS32624 [0,2,0,0,0,0|0,0,0]=2 2725 B11R1.166 c1cc(c(cc1N)O)C(=O)[O-] TS00265 [0,2,0,0,0,0|0,0,1]=3 2726 B11R1.166 c1cc(c(cc1N)O)C(=O)[O-] TS45911 [0,2,0,0,0,0|0,0,1]=3 2727 B11R1.166 c1cc(c(cc1N)O)C(=O)[O-] TS78687 [0,2,0,0,0,0|0,0,1]=3 2728 B11R1.166 c1cc(c(cc1O)F)C(=O)O TS01827 [0,2,0,0,0,0|0,0,0]=2 2729 B11R1.166 c1cc(c(cc1O)F)[N+](=O)[O-] TS02765 [0,2,0,0,0,0|1,0,1]=4 2730 B11R1.166 c1cc(c(cc1O)O)C(=O)N TS10290 [0,2,0,0,0,0|1,0,0]=3 2731 B11R1.166 c1cc(c(cc1O)O)C(=O)O TS10385 [0,2,0,0,0,0|0,0,0]=2 2732 B11R1.166 c1cc(nc(c1C(=O)N)N)Cl TS13084 [0,2,0,0,0,0|2,0,0]=4 2733 B11R1.166 c1cc(nc(c1C(=O)O)Br)Br TS34264 [0,2,0,0,0,0|1,0,0]=3 2734 B11R1.166 c1cc(nc(c1C(=O)O)Cl)Cl TS34635 [0,2,0,0,0,0|1,0,0]=3 2735 B11R1.166 c1cc(nc(c1C(=O)O)Cl)O TS55263 [0,2,0,0,0,0|1,0,0]=3 2736 B11R1.166 c1cc(nc(c1C(=O)O)F)F TS47311 [0,2,0,0,0,0|1,0,0]=3 2737 B11R1.166 c1cc(nc(c1C(=O)O)N)Cl TS89647 [0,2,0,0,0,0|1,0,0]=3 2738 B11R1.166 c1cc(nc(c1C(=O)O)O)O TS10554 [0,2,0,0,0,0|1,0,0]=3 2739 B11R1.7 C=CS(=O)(=O)c1ccccc1 TS29499 [0,2,0,0,0,0|1,0,1]=4 2740 B11R1.7 CC(C#C)(c1ccccc1)O TS07226 [0,2,0,0,0,0|1,0,1]=4 2741 B11R1.7 CC(CN)(c1ccccc1)O TS10067 [0,2,0,0,0,0|1,0,1]=4 2742 B11R1.7 CC(CO)(c1ccccc1)O TS10181 [0,2,0,0,0,0|0,0,2]=4 2743 B11R1.7 CCC(C)(c1ccccc1)O TS09915 [0,2,0,0,0,0|1,0,1]=4 2744 B11R1.7 CCS(=O)(=O)c1ccccc1 TS12825 [0,2,0,0,0,0|1,0,1]=4 2745 B11R1.7 CNS(=O)(=O)c1ccccc1 TS45325 [0,2,0,0,0,0|1,0,1]=4 2746 B11R1.7 COP(=O)(C)c1ccccc1 TS45092 [0,2,0,0,0,0|1,0,0]=3 2747 B11R1.7 COS(=O)(=O)c1ccccc1 TS39807 [0,2,0,0,0,0|1,0,0]=3 2748 B11R1.7 c1ccc(cc1)P(=O)(CO)O TS45409 [0,2,0,0,0,0|1,0,0]=3 2749 B11R1.7 c1ccc(cc1)S(=O)(=O)CBr TS56616 [0,2,0,0,0,0|1,0,1]=4 2750 B11R1.7 c1ccc(cc1)S(=O)(=O)CCl TS51203 [0,2,0,0,0,0|1,0,1]=4 2751 B11R1.7 c1ccc(cc1)S(=O)(=O)CF TS13474 [0,2,0,0,0,0|1,0,1]=4 2752 B11R1.7 c1ccc(cc1)S(=O)(=O)NN TS45466 [0,2,0,0,0,0|1,0,1]=4 2753 B11R1.7 c1ccc(cc1)S(=O)(=O)NO TS45614 [0,2,0,0,0,0|1,0,0]=3 2754 B11R1.12 CCC(=CC)c1ccccc1 TS40463 [0,2,0,0,0,0|2,0,0]=4 2755 B11R1.12 CCN(c1ccccc1)N=O TS09879 [0,2,0,0,0,0|2,0,0]=4 2756 B11R1.12 COC(c1ccccc1)OC TS33210 [0,2,0,0,0,0|0,0,2]=4 2757 B11R1.12 COP(c1ccccc1)OC TS45093 [0,2,0,0,0,0|1,0,1]=4 2758 B11R1.12 CO[C@@H](CO)c1ccccc1 TS41139 [0,2,0,0,0,0|0,0,2]=4 2759 B11R1.12 CO[C@H](CO)c1ccccc1 TS10190 [0,2,0,0,0,0|0,0,2]=4 2760 B11R1.12 c1ccc(cc1)C(=CO)C#N TS07085 [0,2,0,0,0,0|1,0,0]=3 2761 B11R1.12 c1ccc(cc1)C(=CO)C=O TS07413 [0,2,0,0,0,0|0,0,0]=2 2762 B11R1.12 c1ccc(cc1)C(=NO)C#N TS07203 [0,2,0,0,0,0|1,0,0]=3 2763 B11R1.12 c1ccc(cc1)C(=NO)CBr TS44450 [0,2,0,0,0,0|1,0,0]=3 2764 B11R1.12 c1ccc(cc1)C(CO)CO TS39683 [0,2,0,0,0,0|0,0,2]=4 2765 B11R1.12 c1ccc(cc1)N(C=O)C#N TS40402 [0,2,0,0,0,0|2,0,0]=4 2766 B11R1.16 C#CCC(c1ccccc1)O TS07216 [0,2,0,0,0,0|1,0,1]=4 2767 B11R1.16 C=CCC(c1ccccc1)O TS07476 [0,2,0,0,0,0|1,0,1]=4 2768 B11R1.16 C=CCS(=O)c1ccccc1 TS12278 [0,2,0,0,0,0|2,0,0]=4 2769 B11R1.16 C=COC(=O)c1ccccc1 TS07417 [0,2,0,0,0,0|0,0,0]=2 2770 B11R1.16 CC(=CCO)c1ccccc1 TS07480 [0,2,0,0,0,0|1,0,0]=3 2771 B11R1.16 CC(CC=O)c1ccccc1 TS40655 [0,2,0,0,0,0|1,0,1]=4 2772 B11R1.16 CC(CCO)c1ccccc1 TS40913 [0,2,0,0,0,0|1,0,1]=4 2773 B11R1.16 CC(c1ccccc1)NC=O TS40754 [0,2,0,0,0,0|1,0,1]=4 2774 B11R1.16 CC=CC(=O)c1ccccc1 TS07230 [0,2,0,0,0,0|1,0,0]=3 2775 B11R1.16 CC=CC(c1ccccc1)O TS07464 [0,2,0,0,0,0|1,0,1]=4 2776 B11R1.16 CCC=C(C)c1ccccc1 TS07266 [0,2,0,0,0,0|2,0,0]=4 2777 B11R1.16 CCCC(=C)c1ccccc1 TS40460 [0,2,0,0,0,0|2,0,0]=4 2778 B11R1.16 CCCC(=O)c1ccccc1 TS40658 [0,2,0,0,0,0|1,0,0]=3 2779 B11R1.16 CCCC(=O)c1ccccn1 TS07574 [0,2,0,0,0,0|2,0,0]=4 2780 B11R1.16 CCCC(c1ccccc1)O TS40897 [0,2,0,0,0,0|1,0,1]=4 2781 B11R1.16 CCC[C@@H](c1ccccc1)O TS40898 [0,2,0,0,0,0|1,0,1]=4 2782 B11R1.16 CCC[C@H](c1ccccc1)O TS40914 [0,2,0,0,0,0|1,0,1]=4 2783 B11R1.16 CCNC(=O)c1ccccc1 TS07570 [0,2,0,0,0,0|1,0,0]=3 2784 B11R1.16 CCNC(=O)c1cccnc1 TS40872 [0,2,0,0,0,0|2,0,0]=4 2785 B11R1.16 CCOC(=N)c1ccccc1 TS39808 [0,2,0,0,0,0|1,0,0]=3 2786 B11R1.16 CCOC(=O)c1ccccc1 TS40849 [0,2,0,0,0,0|0,0,0]=2 2787 B11R1.16 CCOC(=O)c1ccccn1 TS08499 [0,2,0,0,0,0|1,0,0]=3 2788 B11R1.16 CCOC(=O)c1cccnc1 TS41007 [0,2,0,0,0,0|1,0,0]=3 2789 B11R1.16 CCOC(=O)c1ccncc1 TS01460 [0,2,0,0,0,0|1,0,0]=3 2790 B11R1.16 CCOC(=O)c1ccncn1 TS55949 [0,2,0,0,0,0|2,0,0]=4 2791 B11R1.16 CCOC(=O)c1cnccn1 TS41125 [0,2,0,0,0,0|2,0,0]=4 2792 B11R1.16 CN(CCO)c1ccccc1 TS41045 [0,2,0,0,0,0|2,0,0]=4 2793 B11R1.16 CNCC(=O)c1ccccc1 TS15529 [0,2,0,0,0,0|1,0,0]=3 2794 B11R1.16 CNCC(c1ccccc1)O TS41049 [0,2,0,0,0,0|1,0,1]=4 2795 B11R1.16 COCC(=O)c1ccccc1 TS09863 [0,2,0,0,0,0|0,0,0]=2 2796 B11R1.16 COC[C@@H](c1ccccc1)N TS41043 [0,2,0,0,0,0|1,0,1]=4 2797 B11R1.16 COC[C@H](c1ccccc1)N TS10083 [0,2,0,0,0,0|1,0,1]=4 2798 B11R1.16 C[C@@H](c1ccccc1)N=C=O TS40526 [0,2,0,0,0,0|1,0,1]=4 2799 B11R1.16 C[C@H](c1ccccc1)N=C=O TS40534 [0,2,0,0,0,0|1,0,1]=4 2800 B11R1.16 c1cc(cnc1)C(=O)CC#N TS70697 [0,2,0,0,0,0|2,0,0]=4 2801 B11R1.16 c1cc(cnc1)C(=O)N=[N+]=[N-] TS40606 [0,2,0,0,0,0|2,0,0]=4 2802 B11R1.16 c1cc(cnc1)C(=O)NCO TS41113 [0,2,0,0,0,0|1,0,0]=3 2803 B11R1.16 c1ccc(cc1)C(=CC#N)Cl TS11769 [0,2,0,0,0,0|2,0,0]=4 2804 B11R1.16 c1ccc(cc1)C(=O)C=NO TS40717 [0,2,0,0,0,0|0,0,0]=2 2805 B11R1.16 c1ccc(cc1)C(=O)C=[N+]=[N-] TS40403 [0,2,0,0,0,0|1,0,0]=3 2806 B11R1.16 c1ccc(cc1)C(=O)CC#N TS39724 [0,2,0,0,0,0|1,0,0]=3 2807 B11R1.16 c1ccc(cc1)C(=O)CCCl TS12618 [0,2,0,0,0,0|1,0,0]=3 2808 B11R1.16 c1ccc(cc1)C(=O)N=C=O TS07295 [0,2,0,0,0,0|0,0,1]=3 2809 B11R1.16 c1ccc(cc1)C(=O)N=C=S TS01371 [0,2,0,0,0,0|0,1,0]=3 2810 B11R1.16 c1ccc(cc1)C(=O)NCO TS41014 [0,2,0,0,0,0|0,0,0]=2 2811 B11R1.16 c1ccc(cc1)C(=O)OCCl TS12930 [0,2,0,0,0,0|0,0,0]=2 2812 B11R1.16 c1ccc(cc1)C(=O)SCO TS44889 [0,2,0,0,0,0|0,0,0]=2 2813 B11R1.16 c1ccc(cc1)C(CC#N)O TS07335 [0,2,0,0,0,0|1,0,1]=4 2814 B11R1.16 c1ccc(cc1)C(CCN)O TS41050 [0,2,0,0,0,0|1,0,1]=4 2815 B11R1.16 c1ccc(cc1)C(CCN)O TS50639 [0,2,0,0,0,0|1,0,1]=4 2816 B11R1.16 c1ccc(cc1)C(CCO)N TS65845 [0,2,0,0,0,0|1,0,1]=4 2817 B11R1.16 c1ccc(cc1)S(=O)CCCl TS16096 [0,2,0,0,0,0|2,0,0]=4 2818 B11R1.16 c1ccc(cc1)[C@@H](CCCl)O TS46584 [0,2,0,0,0,0|1,0,1]=4 2819 B11R1.16 c1ccc(cc1)[C@@H](CCN)O TS10084 [0,2,0,0,0,0|1,0,1]=4 2820 B11R1.16 c1ccc(cc1)[C@@H](CCO)N TS15881 [0,2,0,0,0,0|1,0,1]=4 2821 B11R1.16 c1ccc(cc1)[C@@H](CCO)N TS46603 [0,2,0,0,0,0|1,0,1]=4 2822 B11R1.16 c1ccc(cc1)[C@@H](CCO)O TS10187 [0,2,0,0,0,0|0,0,2]=4 2823 B11R1.16 c1ccc(cc1)[C@H](CCCl)O TS46624 [0,2,0,0,0,0|1,0,1]=4 2824 B11R1.16 c1ccc(cc1)[C@H](CCN)O TS10069 [0,2,0,0,0,0|1,0,1]=4 2825 B11R1.16 c1ccc(cc1)[C@H](CCO)N TS46656 [0,2,0,0,0,0|1,0,1]=4 2826 B11R1.16 c1ccc(cc1)[C@H](CCO)O TS41135 [0,2,0,0,0,0|0,0,2]=4 2827 B11R1.16 c1ccnc(c1)C(=O)CC#N TS40401 [0,2,0,0,0,0|2,0,0]=4 2828 B11R1.16 c1cnccc1C(=O)CC#N TS70698 [0,2,0,0,0,0|2,0,0]=4 2829 B11R1.23 CCC(=O)c1cccc(c1)C TS40654 [0,2,0,0,0,0|1,0,0]=3 2830 B11R1.23 CCC(=O)c1cccc(c1)Cl TS12612 [0,2,0,0,0,0|1,0,0]=3 2831 B11R1.23 CCC(=O)c1cccc(c1)F TS02767 [0,2,0,0,0,0|1,0,0]=3 2832 B11R1.23 CCC(=O)c1cccc(c1)N TS40743 [0,2,0,0,0,0|1,0,0]=3 2833 B11R1.23 CCC(=O)c1cccc(c1)O TS02798 [0,2,0,0,0,0|1,0,0]=3 2834 B11R1.23 CNC(=O)c1cc(ccn1)Cl TS85370 [0,2,0,0,0,0|2,0,0]=4 2835 B11R1.23 CNC(=O)c1cccc(c1)N TS02663 [0,2,0,0,0,0|1,0,0]=3 2836 B11R1.23 CNC(=O)c1ccnc(c1)Br TS44645 [0,2,0,0,0,0|2,0,0]=4 2837 B11R1.23 COC(=O)c1cc(ccn1)Br TS56287 [0,2,0,0,0,0|1,0,0]=3 2838 B11R1.23 COC(=O)c1cc(ccn1)Cl TS56293 [0,2,0,0,0,0|1,0,0]=3 2839 B11R1.23 COC(=O)c1cc(ccn1)Cl TS56295 [0,2,0,0,0,0|1,0,0]=3 2840 B11R1.23 COC(=O)c1cc(ccn1)F TS09129 [0,2,0,0,0,0|1,0,0]=3 2841 B11R1.23 COC(=O)c1cc(ccn1)I TS68677 [0,2,0,0,0,0|1,0,0]=3 2842 B11R1.23 COC(=O)c1cc(cnc1)Br TS44779 [0,2,0,0,0,0|1,0,0]=3 2843 B11R1.23 COC(=O)c1cc(cnc1)Br TS85527 [0,2,0,0,0,0|1,0,0]=3 2844 B11R1.23 COC(=O)c1cc(cnc1)F TS86193 [0,2,0,0,0,0|1,0,0]=3 2845 B11R1.23 COC(=O)c1cc(cnc1)N TS56298 [0,2,0,0,0,0|1,0,0]=3 2846 B11R1.23 COC(=O)c1cc(cnc1)O TS59798 [0,2,0,0,0,0|1,0,0]=3 2847 B11R1.23 COC(=O)c1cc(nnc1)Cl TS90959 [0,2,0,0,0,0|2,0,0]=4 2848 B11R1.23 COC(=O)c1cc[nH]c(=O)c1 TS41248 [0,2,0,0,0,0|1,0,0]=3 2849 B11R1.23 COC(=O)c1cccc(c1)Br TS56266 [0,2,0,0,0,0|0,0,0]=2 2850 B11R1.23 COC(=O)c1cccc(c1)Cl TS12918 [0,2,0,0,0,0|0,0,0]=2 2851 B11R1.23 COC(=O)c1cccc(c1)F TS41351 [0,2,0,0,0,0|0,0,0]=2 2852 B11R1.23 COC(=O)c1cccc(c1)I TS70627 [0,2,0,0,0,0|0,0,0]=2 2853 B11R1.23 COC(=O)c1cccc(c1)N TS10028 [0,2,0,0,0,0|0,0,0]=2 2854 B11R1.23 COC(=O)c1cccc(c1)O TS10128 [0,2,0,0,0,0|0,0,0]=2 2855 B11R1.23 COC(=O)c1cccc(n1)Br TS16475 [0,2,0,0,0,0|1,0,0]=3 2856 B11R1.23 COC(=O)c1cccc(n1)Cl TS34580 [0,2,0,0,0,0|1,0,0]=3 2857 B11R1.23 COC(=O)c1cccc(n1)F TS85361 [0,2,0,0,0,0|1,0,0]=3 2858 B11R1.23 COC(=O)c1cccc(n1)I TS68680 [0,2,0,0,0,0|1,0,0]=3 2859 B11R1.23 COC(=O)c1cccc(n1)N TS01210 [0,2,0,0,0,0|1,0,0]=3 2860 B11R1.23 COC(=O)c1ccnc(c1)Br TS00847 [0,2,0,0,0,0|1,0,0]=3 2861 B11R1.23 COC(=O)c1ccnc(c1)Cl TS56251 [0,2,0,0,0,0|1,0,0]=3 2862 B11R1.23 COC(=O)c1ccnc(c1)F TS32975 [0,2,0,0,0,0|1,0,0]=3 2863 B11R1.23 COC(=O)c1ccnc(c1)I TS68679 [0,2,0,0,0,0|1,0,0]=3 2864 B11R1.23 COC(=O)c1ccnc(c1)N TS10155 [0,2,0,0,0,0|1,0,0]=3 2865 B11R1.23 COC(=O)c1ccnc(n1)Cl TS88958 [0,2,0,0,0,0|2,0,0]=4 2866 B11R1.23 COC(=O)c1cncc(n1)Cl TS16593 [0,2,0,0,0,0|2,0,0]=4 2867 B11R1.23 COC(=O)c1cncc(n1)N TS01211 [0,2,0,0,0,0|2,0,0]=4 2868 B11R1.23 COC(=O)c1nccc(n1)N TS56280 [0,2,0,0,0,0|2,0,0]=4 2869 B11R1.23 Cc1cc(cnc1)C(=O)OC TS02310 [0,2,0,0,0,0|1,0,0]=3 2870 B11R1.23 Cc1cc(ncn1)C(=O)OC TS90103 [0,2,0,0,0,0|2,0,0]=4 2871 B11R1.23 Cc1cccc(c1)C(=NO)N TS09900 [0,2,0,0,0,0|1,0,0]=3 2872 B11R1.23 Cc1cccc(c1)C(=O)C#N TS07086 [0,2,0,0,0,0|1,0,0]=3 2873 B11R1.23 Cc1cccc(c1)C(=O)NN TS40877 [0,2,0,0,0,0|1,0,0]=3 2874 B11R1.23 Cc1cccc(c1)C(=O)OC TS09871 [0,2,0,0,0,0|0,0,0]=2 2875 B11R1.23 Cc1cccc(c1)C(CN)O TS50638 [0,2,0,0,0,0|1,0,1]=4 2876 B11R1.23 c1c(cncc1Br)C(=O)NN TS44783 [0,2,0,0,0,0|2,0,0]=4 2877 B11R1.23 c1cc(cc(c1)Br)C(=O)C#N TS43720 [0,2,0,0,0,0|1,0,0]=3 2878 B11R1.23 c1cc(cc(c1)Br)C(=O)CBr TS47138 [0,2,0,0,0,0|1,0,0]=3 2879 B11R1.23 c1cc(cc(c1)Br)C(=O)NN TS22887 [0,2,0,0,0,0|1,0,0]=3 2880 B11R1.23 c1cc(cc(c1)Br)C(CN)O TS28394 [0,2,0,0,0,0|1,0,1]=4 2881 B11R1.23 c1cc(cc(c1)Cl)C(=N)NO TS45236 [0,2,0,0,0,0|1,0,0]=3 2882 B11R1.23 c1cc(cc(c1)Cl)C(=O)C#N TS42965 [0,2,0,0,0,0|1,0,0]=3 2883 B11R1.23 c1cc(cc(c1)Cl)C(=O)CBr TS00836 [0,2,0,0,0,0|1,0,0]=3 2884 B11R1.23 c1cc(cc(c1)Cl)C(=O)CCl TS50852 [0,2,0,0,0,0|1,0,0]=3 2885 B11R1.23 c1cc(cc(c1)Cl)C(=O)CN TS20094 [0,2,0,0,0,0|1,0,0]=3 2886 B11R1.23 c1cc(cc(c1)Cl)C(=O)NN TS45241 [0,2,0,0,0,0|1,0,0]=3 2887 B11R1.23 c1cc(cc(c1)Cl)C(=O)OO TS02719 [0,2,0,0,0,0|0,0,0]=2 2888 B11R1.23 c1cc(cc(c1)Cl)C(CBr)O TS25796 [0,2,0,0,0,0|1,0,1]=4 2889 B11R1.23 c1cc(cc(c1)Cl)C(CCl)O TS51228 [0,2,0,0,0,0|1,0,1]=4 2890 B11R1.23 c1cc(cc(c1)Cl)C(CN)O TS43396 [0,2,0,0,0,0|1,0,1]=4 2891 B11R1.23 c1cc(cc(c1)Cl)C(CO)Cl TS17228 [0,2,0,0,0,0|1,0,1]=4 2892 B11R1.23 c1cc(cc(c1)Cl)[C@@H](CO)N TS93997 [0,2,0,0,0,0|1,0,1]=4 2893 B11R1.23 c1cc(cc(c1)Cl)[C@H](CCl)O TS51236 [0,2,0,0,0,0|1,0,1]=4 2894 B11R1.23 c1cc(cc(c1)Cl)[C@H](CN)O TS43393 [0,2,0,0,0,0|1,0,1]=4 2895 B11R1.23 c1cc(cc(c1)Cl)[C@H](CO)N TS45378 [0,2,0,0,0,0|1,0,1]=4 2896 B11R1.23 c1cc(cc(c1)Cl)[C@H](CO)O TS45562 [0,2,0,0,0,0|0,0,2]=4 2897 B11R1.23 c1cc(cc(c1)F)C(=O)C#N TS40712 [0,2,0,0,0,0|1,0,0]=3 2898 B11R1.23 c1cc(cc(c1)F)C(=O)CBr TS70599 [0,2,0,0,0,0|1,0,0]=3 2899 B11R1.23 c1cc(cc(c1)F)C(=O)CCl TS09259 [0,2,0,0,0,0|1,0,0]=3 2900 B11R1.23 c1cc(cc(c1)F)C(=O)NN TS10394 [0,2,0,0,0,0|1,0,0]=3 2901 B11R1.23 c1cc(cc(c1)F)C(CN)O TS51365 [0,2,0,0,0,0|1,0,1]=4 2902 B11R1.23 c1cc(cc(c1)N)C(=O)CBr TS44452 [0,2,0,0,0,0|1,0,0]=3 2903 B11R1.23 c1cc(cc(c1)N)C(=O)NN TS10046 [0,2,0,0,0,0|1,0,0]=3 2904 B11R1.23 c1cc(cc(c1)O)C(=O)CBr TS44634 [0,2,0,0,0,0|1,0,0]=3 2905 B11R1.23 c1cc(cc(c1)O)C(=O)NN TS41112 [0,2,0,0,0,0|1,0,0]=3 2906 B11R1.23 c1cc(cc(c1)O)C(CN)O TS16253 [0,2,0,0,0,0|1,0,1]=4 2907 B11R1.23 c1cc(cc(c1)O)C(CN)O TS41280 [0,2,0,0,0,0|1,0,1]=4 2908 B11R1.23 c1cc(nc(c1)I)C(=O)NN TS29873 [0,2,0,0,0,0|2,0,0]=4 2909 B11R1.23 c1cnc(cc1C(=O)CBr)Cl TS56563 [0,2,0,0,0,0|2,0,0]=4 2910 B11R1.23 c1cnc(cc1C(=O)NN)Cl TS13080 [0,2,0,0,0,0|2,0,0]=4 2911 B11R1.23 c1cnc(cc1C(=O)NN)N TS10161 [0,2,0,0,0,0|2,0,0]=4 2912 B11R1.23 c1cnc(cc1Cl)C(=O)NN TS13082 [0,2,0,0,0,0|2,0,0]=4 2913 B11R1.222 CC(=NO)c1ccccc1O TS10031 [0,2,0,0,0,0|1,0,0]=3 2914 B11R1.222 CCC(=O)c1ccccc1F TS01035 [0,2,0,0,0,0|1,0,0]=3 2915 B11R1.222 CCC(=O)c1ccccc1O TS09859 [0,2,0,0,0,0|1,0,0]=3 2916 B11R1.222 CNC(=O)c1ccccc1Br TS44448 [0,2,0,0,0,0|1,0,0]=3 2917 B11R1.222 CNC(=O)c1ccccc1N TS00814 [0,2,0,0,0,0|1,0,0]=3 2918 B11R1.222 CNC(=O)c1ccccc1O TS41017 [0,2,0,0,0,0|1,0,0]=3 2919 B11R1.222 CNC(=O)c1cccnc1N TS10047 [0,2,0,0,0,0|2,0,0]=4 2920 B11R1.222 COC(=O)c1c(cccn1)Br TS86373 [0,2,0,0,0,0|1,0,0]=3 2921 B11R1.222 COC(=O)c1c(cccn1)Cl TS56271 [0,2,0,0,0,0|1,0,0]=3 2922 B11R1.222 COC(=O)c1c(cccn1)F TS02769 [0,2,0,0,0,0|1,0,0]=3 2923 B11R1.222 COC(=O)c1c(cccn1)N TS08576 [0,2,0,0,0,0|1,0,0]=3 2924 B11R1.222 COC(=O)c1c(cccn1)O TS02799 [0,2,0,0,0,0|1,0,0]=3 2925 B11R1.222 COC(=O)c1c(nccn1)Br TS87022 [0,2,0,0,0,0|2,0,0]=4 2926 B11R1.222 COC(=O)c1c(nccn1)Cl TS16646 [0,2,0,0,0,0|2,0,0]=4 2927 B11R1.222 COC(=O)c1c(nccn1)N TS08547 [0,2,0,0,0,0|2,0,0]=4 2928 B11R1.222 COC(=O)c1c(nccn1)O TS41332 [0,2,0,0,0,0|2,0,0]=4 2929 B11R1.222 COC(=O)c1ccc[nH]c1=O TS56261 [0,2,0,0,0,0|1,0,0]=3 2930 B11R1.222 COC(=O)c1ccccc1Br TS44643 [0,2,0,0,0,0|0,0,0]=2 2931 B11R1.222 COC(=O)c1ccccc1Cl TS12913 [0,2,0,0,0,0|0,0,0]=2 2932 B11R1.222 COC(=O)c1ccccc1F TS56255 [0,2,0,0,0,0|0,0,0]=2 2933 B11R1.222 COC(=O)c1ccccc1I TS29742 [0,2,0,0,0,0|0,0,0]=2 2934 B11R1.222 COC(=O)c1ccccc1N TS56313 [0,2,0,0,0,0|0,0,0]=2 2935 B11R1.222 COC(=O)c1ccccc1O TS10129 [0,2,0,0,0,0|0,0,0]=2 2936 B11R1.222 COC(=O)c1ccccc1S TS44891 [0,2,0,0,0,0|0,0,0]=2 2937 B11R1.222 COC(=O)c1cccnc1Br TS59949 [0,2,0,0,0,0|1,0,0]=3 2938 B11R1.222 COC(=O)c1cccnc1Cl TS56252 [0,2,0,0,0,0|1,0,0]=3 2939 B11R1.222 COC(=O)c1cccnc1F TS01029 [0,2,0,0,0,0|1,0,0]=3 2940 B11R1.222 COC(=O)c1cccnc1N TS08546 [0,2,0,0,0,0|1,0,0]=3 2941 B11R1.222 COC(=O)c1cccnc1O TS41251 [0,2,0,0,0,0|1,0,0]=3 2942 B11R1.222 COC(=O)c1ccn[nH]c1=O TS89730 [0,2,0,0,0,0|2,0,0]=4 2943 B11R1.222 COC(=O)c1ccncc1Br TS86589 [0,2,0,0,0,0|1,0,0]=3 2944 B11R1.222 COC(=O)c1ccncc1I TS70635 [0,2,0,0,0,0|1,0,0]=3 2945 B11R1.222 COC(=O)c1ccncc1N TS41123 [0,2,0,0,0,0|1,0,0]=3 2946 B11R1.222 COC(=O)c1ccncc1O TS41246 [0,2,0,0,0,0|1,0,0]=3 2947 B11R1.222 COC(=O)c1ccnnc1N TS94860 [0,2,0,0,0,0|2,0,0]=4 2948 B11R1.222 COC(=O)c1cnccc1Cl TS09678 [0,2,0,0,0,0|1,0,0]=3 2949 B11R1.222 COC(=O)c1cnccc1N TS08595 [0,2,0,0,0,0|1,0,0]=3 2950 B11R1.222 COC(=O)c1cnccc1O TS16569 [0,2,0,0,0,0|1,0,0]=3 2951 B11R1.222 Cc1c(cccn1)C(=O)OC TS56260 [0,2,0,0,0,0|1,0,0]=3 2952 B11R1.222 Cc1ccccc1C(=O)C#N TS07084 [0,2,0,0,0,0|1,0,0]=3 2953 B11R1.222 Cc1ccccc1C(=O)NC TS40759 [0,2,0,0,0,0|1,0,0]=3 2954 B11R1.222 Cc1ccccc1C(=O)NN TS40876 [0,2,0,0,0,0|1,0,0]=3 2955 B11R1.222 Cc1ccccc1C(=O)OC TS09866 [0,2,0,0,0,0|0,0,0]=2 2956 B11R1.222 Cc1cccnc1C(=NO)N TS41024 [0,2,0,0,0,0|2,0,0]=4 2957 B11R1.222 Cc1cccnc1C(=O)OC TS10019 [0,2,0,0,0,0|1,0,0]=3 2958 B11R1.222 Cc1ccncc1C(=O)OC TS16573 [0,2,0,0,0,0|1,0,0]=3 2959 B11R1.222 Cc1cnccc1C(=O)OC TS90300 [0,2,0,0,0,0|1,0,0]=3 2960 B11R1.222 Cc1cnncc1C(=O)OC TS91909 [0,2,0,0,0,0|2,0,0]=4 2961 B11R1.222 c1cc(c(nc1)C(=O)CBr)O TS58699 [0,2,0,0,0,0|2,0,0]=4 2962 B11R1.222 c1ccc(c(c1)C(=N)NO)Cl TS45232 [0,2,0,0,0,0|1,0,0]=3 2963 B11R1.222 c1ccc(c(c1)C(=NO)N)N TS41025 [0,2,0,0,0,0|1,0,0]=3 2964 B11R1.222 c1ccc(c(c1)C(=NO)N)O TS10149 [0,2,0,0,0,0|1,0,0]=3 2965 B11R1.222 c1ccc(c(c1)C(=O)C#N)Br TS43719 [0,2,0,0,0,0|1,0,0]=3 2966 B11R1.222 c1ccc(c(c1)C(=O)C#N)Cl TS42962 [0,2,0,0,0,0|1,0,0]=3 2967 B11R1.222 c1ccc(c(c1)C(=O)C#N)F TS40715 [0,2,0,0,0,0|1,0,0]=3 2968 B11R1.222 c1ccc(c(c1)C(=O)CBr)Br TS00854 [0,2,0,0,0,0|1,0,0]=3 2969 B11R1.222 c1ccc(c(c1)C(=O)CBr)Cl TS08386 [0,2,0,0,0,0|1,0,0]=3 2970 B11R1.222 c1ccc(c(c1)C(=O)CBr)F TS01031 [0,2,0,0,0,0|1,0,0]=3 2971 B11R1.222 c1ccc(c(c1)C(=O)CBr)O TS44636 [0,2,0,0,0,0|1,0,0]=3 2972 B11R1.222 c1ccc(c(c1)C(=O)CCl)N TS08140 [0,2,0,0,0,0|1,0,0]=3 2973 B11R1.222 c1ccc(c(c1)C(=O)CN)F TS08266 [0,2,0,0,0,0|1,0,0]=3 2974 B11R1.222 c1ccc(c(c1)C(=O)NN)Br TS44649 [0,2,0,0,0,0|1,0,0]=3 2975 B11R1.222 c1ccc(c(c1)C(=O)NN)Cl TS45234 [0,2,0,0,0,0|1,0,0]=3 2976 B11R1.222 c1ccc(c(c1)C(=O)NN)F TS10393 [0,2,0,0,0,0|1,0,0]=3 2977 B11R1.222 c1ccc(c(c1)C(=O)NN)I TS29743 [0,2,0,0,0,0|1,0,0]=3 2978 B11R1.222 c1ccc(c(c1)C(=O)NN)N TS41026 [0,2,0,0,0,0|1,0,0]=3 2979 B11R1.222 c1ccc(c(c1)C(=O)NN)O TS41118 [0,2,0,0,0,0|1,0,0]=3 2980 B11R1.222 c1ccc(c(c1)C(=O)NO)N TS10147 [0,2,0,0,0,0|0,0,0]=2 2981 B11R1.222 c1ccc(c(c1)C(=O)NO)O TS22737 [0,2,0,0,0,0|0,0,0]=2 2982 B11R1.222 c1ccc(c(c1)C(CN)O)Br TS28393 [0,2,0,0,0,0|1,0,1]=4 2983 B11R1.222 c1ccc(c(c1)C(CN)O)Cl TS43394 [0,2,0,0,0,0|1,0,1]=4 2984 B11R1.222 c1ccc(c(c1)C(CN)O)F TS51364 [0,2,0,0,0,0|1,0,1]=4 2985 B11R1.222 c1ccc(c(c1)C(CN)O)I TS74551 [0,2,0,0,0,0|1,0,1]=4 2986 B11R1.222 c1ccc(c(c1)C(CO)N)Cl TS45379 [0,2,0,0,0,0|1,0,1]=4 2987 B11R1.87 CC(C)(c1ccccc1N)O TS41042 [0,2,0,0,0,0|1,0,1]=4 2988 B11R1.87 CS(=O)(=O)c1ccccc1Br TS56617 [0,2,0,0,0,0|1,0,1]=4 2989 B11R1.87 CS(=O)(=O)c1ccccc1Cl TS51206 [0,2,0,0,0,0|1,0,1]=4 2990 B11R1.87 CS(=O)(=O)c1ccccc1N TS13014 [0,2,0,0,0,0|1,0,1]=4 2991 B11R1.87 CS(=O)(=O)c1ccccc1O TS45454 [0,2,0,0,0,0|1,0,1]=4 2992 B11R1.87 Cc1ccccc1S(=O)(=O)Cl TS51204 [0,2,0,0,0,0|1,0,1]=4 2993 B11R1.87 Cc1ccccc1S(=O)(=O)N TS13015 [0,2,0,0,0,0|1,0,1]=4 2994 B11R1.87 Cc1ccccc1S(=O)(=O)O TS65055 [0,2,0,0,0,0|1,0,0]=3 2995 B11R1.87 Cc1cccnc1S(=O)(=O)O TS70678 [0,2,0,0,0,0|2,0,0]=4 2996 B11R1.87 Cc1ccncc1S(=O)(=O)O TS45613 [0,2,0,0,0,0|2,0,0]=4 2997 B11R1.87 Cc1cnccc1S(=O)(=O)O TS45616 [0,2,0,0,0,0|2,0,0]=4 2998 B11R1.87 c1cc(c(nc1)Cl)S(=O)(=O)O TS17731 [0,2,0,0,0,0|2,0,0]=4 2999 B11R1.87 c1cc(c(nc1)N)S(=O)(=O)O TS13471 [0,2,0,0,0,0|2,0,0]=4 3000 B11R1.87 c1cc(c(nc1)O)S(=O)(=O)O TS13642 [0,2,0,0,0,0|2,0,0]=4 3001 B11R1.87 c1cc(c(nc1)S(=O)(=O)O)N TS13467 [0,2,0,0,0,0|2,0,0]=4 3002 B11R1.87 c1cc(c(nc1)S(=O)(=O)O)O TS13641 [0,2,0,0,0,0|2,0,0]=4 3003 B11R1.87 c1ccc(c(c1)F)S(=O)(=O)Cl TS01021 [0,2,0,0,0,0|1,0,1]=4 3004 B11R1.87 c1ccc(c(c1)F)S(=O)(=O)N TS13645 [0,2,0,0,0,0|1,0,1]=4 3005 B11R1.87 c1ccc(c(c1)N)S(=O)(=O)N TS45471 [0,2,0,0,0,0|1,0,1]=4 3006 B11R1.87 c1ccc(c(c1)N)S(=O)(=O)O TS45618 [0,2,0,0,0,0|1,0,0]=3 3007 B11R1.87 c1ccc(c(c1)N)S(=O)(=O)[O-] TS18013 [0,2,0,0,0,0|1,0,1]=4 3008 B11R1.87 c1ccc(c(c1)N)[As](=O)(O)O TS22171 [0,2,0,0,0,0|1,0,0]=3 3009 B11R1.87 c1ccc(c(c1)O)P(=O)(O)O TS13426 [0,2,0,0,0,0|1,0,0]=3 3010 B11R1.87 c1ccc(c(c1)O)S(=O)(=O)[O-] TS18191 [0,2,0,0,0,0|1,0,1]=4 3011 B11R1.87 c1ccc(c(c1)S(=O)(=O)Cl)Br TS55153 [0,2,0,0,0,0|1,0,1]=4 3012 B11R1.87 c1ccc(c(c1)S(=O)(=O)Cl)Cl TS55272 [0,2,0,0,0,0|1,0,1]=4 3013 B11R1.87 c1ccc(c(c1)S(=O)(=O)Cl)I TS07724 [0,2,0,0,0,0|1,0,1]=4 3014 B11R1.87 c1ccc(c(c1)S(=O)(=O)N)Br TS56746 [0,2,0,0,0,0|1,0,1]=4 3015 B11R1.87 c1ccc(c(c1)S(=O)(=O)N)Cl TS00950 [0,2,0,0,0,0|1,0,1]=4 3016 B11R1.87 c1ccc(c(c1)S(=O)(=O)N)I TS34503 [0,2,0,0,0,0|1,0,1]=4 3017 B11R1.87 c1ccc(c(c1)S(=O)(=O)O)I TS34698 [0,2,0,0,0,0|1,0,0]=3 3018 B11R1.87 c1cncc(c1Cl)S(=O)(=O)O TS17730 [0,2,0,0,0,0|2,0,0]=4 3019 B11R1.87 c1cncc(c1N)S(=O)(=O)O TS13468 [0,2,0,0,0,0|2,0,0]=4 3020 B11R1.87 c1cncc(c1O)S(=O)(=O)O TS13640 [0,2,0,0,0,0|2,0,0]=4 3021 B11R1.155 CS(=O)(=O)c1cccc(c1)N TS43365 [0,2,0,0,0,0|1,0,1]=4 3022 B11R1.155 Cc1cc(ccn1)S(=O)(=O)O TS45611 [0,2,0,0,0,0|2,0,0]=4 3023 B11R1.155 Cc1cc(cnc1)S(=O)(=O)O TS01163 [0,2,0,0,0,0|2,0,0]=4 3024 B11R1.155 Cc1cccc(c1)S(=O)(=O)Cl TS51202 [0,2,0,0,0,0|1,0,1]=4 3025 B11R1.155 Cc1cccc(n1)S(=O)(=O)O TS45610 [0,2,0,0,0,0|2,0,0]=4 3026 B11R1.155 Cc1ccnc(c1)S(=O)(=O)O TS45615 [0,2,0,0,0,0|2,0,0]=4 3027 B11R1.155 c1cc(cc(c1)Br)S(=O)(=O)Cl TS56221 [0,2,0,0,0,0|1,0,1]=4 3028 B11R1.155 c1cc(cc(c1)Br)S(=O)(=O)N TS56745 [0,2,0,0,0,0|1,0,1]=4 3029 B11R1.155 c1cc(cc(c1)Cl)P(=O)(O)O TS17569 [0,2,0,0,0,0|1,0,0]=3 3030 B11R1.155 c1cc(cc(c1)Cl)S(=O)(=O)Cl TS56223 [0,2,0,0,0,0|1,0,1]=4 3031 B11R1.155 c1cc(cc(c1)P(=O)(O)O)O TS13425 [0,2,0,0,0,0|1,0,0]=3 3032 B11R1.155 c1cc(cc(c1)S(=O)(=O)Cl)F TS01566 [0,2,0,0,0,0|1,0,1]=4 3033 B11R1.155 c1cc(cc(c1)S(=O)(=O)F)N TS44069 [0,2,0,0,0,0|1,0,1]=4 3034 B11R1.155 c1cc(cc(c1)S(=O)(=O)N)F TS13646 [0,2,0,0,0,0|1,0,1]=4 3035 B11R1.155 c1cc(cc(c1)S(=O)(=O)O)N TS45608 [0,2,0,0,0,0|1,0,0]=3 3036 B11R1.155 c1cc(cc(c1)S(=O)(=O)[O-])N TS18025 [0,2,0,0,0,0|1,0,1]=4 3037 B11R1.155 c1cc(nc(c1)Cl)S(=O)(=O)O TS17729 [0,2,0,0,0,0|2,0,0]=4 3038 B11R1.155 c1cc(nc(c1)S(=O)(=O)O)N TS13469 [0,2,0,0,0,0|2,0,0]=4 3039 B11R1.53 B(c1ccccc1C#N)(O)O TS55305 [0,2,0,0,0,0|1,0,1]=4 3040 B11R1.53 B(c1ccccc1C=C)(O)O TS07979 [0,2,0,0,0,0|1,0,1]=4 3041 B11R1.53 B(c1ccccc1C=O)(O)O TS01042 [0,2,0,0,0,0|1,0,1]=4 3042 B11R1.53 B(c1ccccc1CBr)(O)O TS00851 [0,2,0,0,0,0|1,0,1]=4 3043 B11R1.53 B(c1ccccc1CC)(O)O TS46398 [0,2,0,0,0,0|1,0,1]=4 3044 B11R1.53 B(c1ccccc1CN)(O)O TS40958 [0,2,0,0,0,0|1,0,1]=4 3045 B11R1.53 B(c1ccccc1SC)(O)O TS00233 [0,2,0,0,0,0|1,0,1]=4 3046 B11R1.53 C#Cc1ccccc1C(=O)O TS07176 [0,2,0,0,0,0|0,0,0]=2 3047 B11R1.53 C#Cc1ccccc1[N+](=O)[O-] TS07296 [0,2,0,0,0,0|1,0,1]=4 3048 B11R1.53 CC(=O)c1ccccc1C#N TS07089 [0,2,0,0,0,0|1,0,0]=3 3049 B11R1.53 CC(=O)c1ccccc1OC TS09870 [0,2,0,0,0,0|1,0,0]=3 3050 B11R1.53 CCc1ccccc1C(=O)O TS55311 [0,2,0,0,0,0|0,0,0]=2 3051 B11R1.53 CCc1ccccc1C(=S)N TS12087 [0,2,0,0,0,0|1,1,0]=4 3052 B11R1.53 CCc1ccccc1N(=O)=O TS39599 [0,2,0,0,0,0|1,0,1]=4 3053 B11R1.53 CNc1c(cccn1)C(=O)O TS41111 [0,2,0,0,0,0|1,0,0]=3 3054 B11R1.53 CNc1ccccc1C(=O)N TS09878 [0,2,0,0,0,0|1,0,0]=3 3055 B11R1.53 CNc1ccccc1C(=O)O TS40996 [0,2,0,0,0,0|0,0,0]=2 3056 B11R1.53 CNc1ccccc1[N+](=O)[O-] TS41127 [0,2,0,0,0,0|1,0,1]=4 3057 B11R1.53 COc1c(cccn1)C(=O)O TS41256 [0,2,0,0,0,0|1,0,0]=3 3058 B11R1.53 COc1ccccc1C(=N)N TS15732 [0,2,0,0,0,0|2,0,0]=4 3059 B11R1.53 COc1ccccc1C(=O)Cl TS12916 [0,2,0,0,0,0|1,0,0]=3 3060 B11R1.53 COc1ccccc1C(=O)N TS10036 [0,2,0,0,0,0|1,0,0]=3 3061 B11R1.53 COc1ccccc1C(=O)O TS00089 [0,2,0,0,0,0|0,0,0]=2 3062 B11R1.53 COc1ccccc1C(=S)N TS12414 [0,2,0,0,0,0|1,1,0]=4 3063 B11R1.53 COc1ccccc1[N+](=O)[O-] TS41258 [0,2,0,0,0,0|1,0,1]=4 3064 B11R1.53 COc1cccnc1C(=O)O TS41254 [0,2,0,0,0,0|1,0,0]=3 3065 B11R1.53 COc1cnccc1C(=O)O TS02821 [0,2,0,0,0,0|1,0,0]=3 3066 B11R1.53 CSc1c(cccn1)C(=O)O TS02456 [0,2,0,0,0,0|1,0,0]=3 3067 B11R1.53 CSc1ccccc1C(=O)O TS44885 [0,2,0,0,0,0|0,0,0]=2 3068 B11R1.53 CSc1ccccc1[N+](=O)[O-] TS59981 [0,2,0,0,0,0|1,0,1]=4 3069 B11R1.53 c1cc(c(nc1)C#N)C(=O)N TS07303 [0,2,0,0,0,0|2,0,0]=4 3070 B11R1.53 c1cc(c(nc1)C#N)C(=O)O TS40599 [0,2,0,0,0,0|1,0,0]=3 3071 B11R1.53 c1cc(c(nc1)C(=O)N)C#N TS07306 [0,2,0,0,0,0|2,0,0]=4 3072 B11R1.53 c1cc(c(nc1)C(=O)O)C#N TS40603 [0,2,0,0,0,0|1,0,0]=3 3073 B11R1.53 c1ccc(c(c1)C#N)C(=O)Cl TS42961 [0,2,0,0,0,0|1,0,0]=3 3074 B11R1.53 c1ccc(c(c1)C#N)C(=O)N TS07196 [0,2,0,0,0,0|1,0,0]=3 3075 B11R1.53 c1ccc(c(c1)C#N)C(=O)O TS55301 [0,2,0,0,0,0|0,0,0]=2 3076 B11R1.53 c1ccc(c(c1)C#N)[N+](=O)[O-] TS40602 [0,2,0,0,0,0|1,0,1]=4 3077 B11R1.53 c1ccc(c(c1)C(=O)O)I=O TS29988 [0,2,0,0,0,0|0,0,0]=2 3078 B11R1.53 c1ccc(c(c1)C(=O)O)NN TS41107 [0,2,0,0,0,0|0,0,0]=2 3079 B11R1.53 c1ccc(c(c1)C(=O)O)NN TS50819 [0,2,0,0,0,0|0,0,0]=2 3080 B11R1.53 c1ccc(c(c1)C(=O)O)[Hg]O TS78416 [0,2,0,0,0,0|0,0,0]=2 3081 B11R1.53 c1ccc(c(c1)C=O)C(=O)O TS07648 [0,2,0,0,0,0|0,0,0]=2 3082 B11R1.53 c1ccc(c(c1)C=O)[N+](=O)[O-] TS09387 [0,2,0,0,0,0|1,0,1]=4 3083 B11R1.53 c1ccc(c(c1)CBr)C(=O)Br TS31288 [0,2,0,0,0,0|1,0,0]=3 3084 B11R1.53 c1ccc(c(c1)CBr)C(=O)O TS44633 [0,2,0,0,0,0|0,0,0]=2 3085 B11R1.53 c1ccc(c(c1)CBr)[N+](=O)[O-] TS09391 [0,2,0,0,0,0|1,0,1]=4 3086 B11R1.53 c1ccc(c(c1)CCl)C(=O)Cl TS50845 [0,2,0,0,0,0|1,0,0]=3 3087 B11R1.53 c1ccc(c(c1)CCl)C(=O)O TS47087 [0,2,0,0,0,0|0,0,0]=2 3088 B11R1.53 c1ccc(c(c1)CCl)[N+](=O)[O-] TS13069 [0,2,0,0,0,0|1,0,1]=4 3089 B11R1.53 c1ccc(c(c1)CN)[N+](=O)[O-] TS50822 [0,2,0,0,0,0|1,0,1]=4 3090 B11R1.53 c1ccc(c(c1)CO)[N+](=O)[O-] TS09390 [0,2,0,0,0,0|1,0,1]=4 3091 B11R1.53 c1ccc(c(c1)NN)[N+](=O)[O-] TS09397 [0,2,0,0,0,0|1,0,1]=4 3092 B11R1.53 c1ccc(c(c1)NN)[N+](=O)[O-] TS10299 [0,2,0,0,0,0|1,0,1]=4 3093 B11R1.53 c1ccc(c(c1)[N+](=O)[O-])SCl TS16247 [0,2,0,0,0,0|1,0,1]=4 3094 B11R1.53 c1cncc(c1CO)C(=O)O TS10288 [0,2,0,0,0,0|1,0,0]=3 3095 B11R1.156 B(c1c(cccc1Br)Cl)(O)O TS56663 [0,2,0,0,0,0|1,0,1]=4 3096 B11R1.156 B(c1c(cccc1Br)F)(O)O TS49538 [0,2,0,0,0,0|1,0,1]=4 3097 B11R1.156 B(c1c(cccc1C)C)(O)O TS00702 [0,2,0,0,0,0|1,0,1]=4 3098 B11R1.156 B(c1c(cccc1Cl)Cl)(O)O TS08781 [0,2,0,0,0,0|1,0,1]=4 3099 B11R1.156 B(c1c(cccc1Cl)F)(O)O TS55259 [0,2,0,0,0,0|1,0,1]=4 3100 B11R1.156 B(c1c(cccc1F)F)(O)O TS47307 [0,2,0,0,0,0|1,0,1]=4 3101 B11R1.156 CC(=O)c1c(cccc1Cl)Cl TS50844 [0,2,0,0,0,0|1,0,0]=3 3102 B11R1.156 CC(=O)c1c(cccc1Cl)F TS45556 [0,2,0,0,0,0|1,0,0]=3 3103 B11R1.156 CC(=O)c1c(cccc1F)F TS34647 [0,2,0,0,0,0|1,0,0]=3 3104 B11R1.156 CC(=O)c1c(cccc1F)O TS41346 [0,2,0,0,0,0|1,0,0]=3 3105 B11R1.156 CC(=O)c1c(cccc1O)O TS10125 [0,2,0,0,0,0|1,0,0]=3 3106 B11R1.156 CC(=O)c1c(ccnc1Cl)I TS34356 [0,2,0,0,0,0|2,0,0]=4 3107 B11R1.156 CC(c1c(cccc1Cl)Cl)O TS17226 [0,2,0,0,0,0|1,0,1]=4 3108 B11R1.156 Cc1c(c(ncn1)C)C(=O)O TS02937 [0,2,0,0,0,0|2,0,0]=4 3109 B11R1.156 Cc1cccc(c1C(=N)N)C TS40671 [0,2,0,0,0,0|2,0,0]=4 3110 B11R1.156 Cc1cccc(c1C(=O)C)C TS07473 [0,2,0,0,0,0|1,0,0]=3 3111 B11R1.156 Cc1cccc(c1C(=O)N)Cl TS12721 [0,2,0,0,0,0|1,0,0]=3 3112 B11R1.156 Cc1cccc(c1C(=O)O)Br TS08368 [0,2,0,0,0,0|0,0,0]=2 3113 B11R1.156 Cc1cccc(c1C(=O)O)C TS47324 [0,2,0,0,0,0|0,0,0]=2 3114 B11R1.156 Cc1cccc(c1C(=O)O)Cl TS00931 [0,2,0,0,0,0|0,0,0]=2 3115 B11R1.156 Cc1cccc(c1C(=O)O)F TS55367 [0,2,0,0,0,0|0,0,0]=2 3116 B11R1.156 Cc1cccc(c1C(=O)O)N TS65371 [0,2,0,0,0,0|0,0,0]=2 3117 B11R1.156 Cc1cccc(c1C(=O)O)O TS09305 [0,2,0,0,0,0|0,0,0]=2 3118 B11R1.156 Cc1cccc(c1[N+](=O)[O-])Br TS65911 [0,2,0,0,0,0|1,0,1]=4 3119 B11R1.156 Cc1cccc(c1[N+](=O)[O-])C TS10017 [0,2,0,0,0,0|1,0,1]=4 3120 B11R1.156 Cc1cccc(c1[N+](=O)[O-])Cl TS65982 [0,2,0,0,0,0|1,0,1]=4 3121 B11R1.156 Cc1cccc(c1[N+](=O)[O-])N TS70659 [0,2,0,0,0,0|1,0,1]=4 3122 B11R1.156 Cc1cccc(c1[N+](=O)[O-])O TS93827 [0,2,0,0,0,0|1,0,1]=4 3123 B11R1.156 Cc1ccnc(c1C(=O)O)C TS00645 [0,2,0,0,0,0|1,0,0]=3 3124 B11R1.156 Cc1ccnc(c1C(=O)O)C TS15873 [0,2,0,0,0,0|1,0,0]=3 3125 B11R1.156 Cc1ccnc(c1C(=O)O)N TS41117 [0,2,0,0,0,0|1,0,0]=3 3126 B11R1.156 Cc1cncc(c1C(=O)O)C TS65820 [0,2,0,0,0,0|1,0,0]=3 3127 B11R1.156 c1c(c(c(cn1)Cl)C(=O)O)Cl TS17405 [0,2,0,0,0,0|1,0,0]=3 3128 B11R1.156 c1cc(c(c(c1)Br)C(=O)Cl)Cl TS28543 [0,2,0,0,0,0|1,0,0]=3 3129 B11R1.156 c1cc(c(c(c1)Br)C(=O)Cl)F TS26103 [0,2,0,0,0,0|1,0,0]=3 3130 B11R1.156 c1cc(c(c(c1)Br)C(=O)O)Br TS54283 [0,2,0,0,0,0|0,0,0]=2 3131 B11R1.156 c1cc(c(c(c1)Br)C(=O)O)Cl TS55141 [0,2,0,0,0,0|0,0,0]=2 3132 B11R1.156 c1cc(c(c(c1)Br)C(=O)O)F TS55145 [0,2,0,0,0,0|0,0,0]=2 3133 B11R1.156 c1cc(c(c(c1)Br)C(=O)O)N TS44776 [0,2,0,0,0,0|0,0,0]=2 3134 B11R1.156 c1cc(c(c(c1)Br)[N+](=O)[O-])F TS08360 [0,2,0,0,0,0|1,0,1]=4 3135 B11R1.156 c1cc(c(c(c1)Br)[N+](=O)[O-])N TS65909 [0,2,0,0,0,0|1,0,1]=4 3136 B11R1.156 c1cc(c(c(c1)Br)[N+](=O)[O-])O TS60006 [0,2,0,0,0,0|1,0,1]=4 3137 B11R1.156 c1cc(c(c(c1)Cl)C(=N)N)Cl TS24061 [0,2,0,0,0,0|2,0,0]=4 3138 B11R1.156 c1cc(c(c(c1)Cl)C(=O)Cl)Cl TS20794 [0,2,0,0,0,0|1,0,0]=3 3139 B11R1.156 c1cc(c(c(c1)Cl)C(=O)Cl)F TS17603 [0,2,0,0,0,0|1,0,0]=3 3140 B11R1.156 c1cc(c(c(c1)Cl)C(=O)N)Cl TS16283 [0,2,0,0,0,0|1,0,0]=3 3141 B11R1.156 c1cc(c(c(c1)Cl)C(=O)N)F TS45696 [0,2,0,0,0,0|1,0,0]=3 3142 B11R1.156 c1cc(c(c(c1)Cl)C(=O)O)Cl TS47298 [0,2,0,0,0,0|0,0,0]=2 3143 B11R1.156 c1cc(c(c(c1)Cl)C(=O)O)F TS45862 [0,2,0,0,0,0|0,0,0]=2 3144 B11R1.156 c1cc(c(c(c1)Cl)C(=O)O)N TS00802 [0,2,0,0,0,0|0,0,0]=2 3145 B11R1.156 c1cc(c(c(c1)Cl)C(=O)O)O TS01777 [0,2,0,0,0,0|0,0,0]=2 3146 B11R1.156 c1cc(c(c(c1)Cl)N(=O)=O)Cl TS59886 [0,2,0,0,0,0|1,0,1]=4 3147 B11R1.156 c1cc(c(c(c1)Cl)N(=O)=O)F TS55257 [0,2,0,0,0,0|1,0,1]=4 3148 B11R1.156 c1cc(c(c(c1)Cl)[N+](=O)[O-])N TS65979 [0,2,0,0,0,0|1,0,1]=4 3149 B11R1.156 c1cc(c(c(c1)F)C(=N)N)F TS17574 [0,2,0,0,0,0|2,0,0]=4 3150 B11R1.156 c1cc(c(c(c1)F)C(=O)Cl)F TS34654 [0,2,0,0,0,0|1,0,0]=3 3151 B11R1.156 c1cc(c(c(c1)F)C(=O)N)F TS41746 [0,2,0,0,0,0|1,0,0]=3 3152 B11R1.156 c1cc(c(c(c1)F)C(=O)N)N TS10395 [0,2,0,0,0,0|1,0,0]=3 3153 B11R1.156 c1cc(c(c(c1)F)C(=O)O)F TS34651 [0,2,0,0,0,0|0,0,0]=2 3154 B11R1.156 c1cc(c(c(c1)F)C(=O)O)N TS08956 [0,2,0,0,0,0|0,0,0]=2 3155 B11R1.156 c1cc(c(c(c1)F)C(=O)O)O TS55362 [0,2,0,0,0,0|0,0,0]=2 3156 B11R1.156 c1cc(c(c(c1)F)C(=O)[O-])F TS14504 [0,2,0,0,0,0|0,0,1]=3 3157 B11R1.156 c1cc(c(c(c1)F)N(=O)=O)F TS47305 [0,2,0,0,0,0|1,0,1]=4 3158 B11R1.156 c1cc(c(c(c1)F)[N+](=O)[O-])N TS70574 [0,2,0,0,0,0|1,0,1]=4 3159 B11R1.156 c1cc(c(c(c1)F)[N+](=O)[O-])O TS70575 [0,2,0,0,0,0|1,0,1]=4 3160 B11R1.156 c1cc(c(c(c1)I)C(=O)Cl)F TS65423 [0,2,0,0,0,0|1,0,0]=3 3161 B11R1.156 c1cc(c(c(c1)I)C(=O)O)F TS73457 [0,2,0,0,0,0|0,0,0]=2 3162 B11R1.156 c1cc(c(c(c1)O)C(=O)N)O TS41257 [0,2,0,0,0,0|1,0,0]=3 3163 B11R1.156 c1cc(c(c(c1)O)C(=O)O)O TS10390 [0,2,0,0,0,0|0,0,0]=2 3164 B11R1.156 c1cc(c(c(c1)O)[N+](=O)[O-])O TS10555 [0,2,0,0,0,0|1,0,1]=4 3165 B11R1.156 c1cnc(c(c1Cl)C(=O)O)Cl TS47215 [0,2,0,0,0,0|1,0,0]=3 3166 B11R1.156 c1cnc(c(c1I)C(=O)O)Cl TS34657 [0,2,0,0,0,0|1,0,0]=3 3167 B11R1.156 c1cnc(c(c1I)C(=O)O)F TS08419 [0,2,0,0,0,0|1,0,0]=3 3168 B11R1.156 c1cnc(c(c1N)C(=O)O)Cl TS90500 [0,2,0,0,0,0|1,0,0]=3 3169 B11R1.156 c1nc(c(c(n1)Cl)C(=O)O)Cl TS85381 [0,2,0,0,0,0|2,0,0]=4 3170 B11R1.159 B(c1cccc(c1C)C)(O)O TS47168 [0,2,0,0,0,0|1,0,1]=4 3171 B11R1.159 B(c1cccc(c1C)Cl)(O)O TS45218 [0,2,0,0,0,0|1,0,1]=4 3172 B11R1.159 B(c1cccc(c1C)F)(O)O TS08022 [0,2,0,0,0,0|1,0,1]=4 3173 B11R1.159 B(c1cccc(c1Cl)Br)(O)O TS56662 [0,2,0,0,0,0|1,0,1]=4 3174 B11R1.159 B(c1cccc(c1Cl)Cl)(O)O TS85480 [0,2,0,0,0,0|1,0,1]=4 3175 B11R1.159 B(c1cccc(c1Cl)F)(O)O TS45850 [0,2,0,0,0,0|1,0,1]=4 3176 B11R1.159 B(c1cccc(c1F)Br)(O)O TS49535 [0,2,0,0,0,0|1,0,1]=4 3177 B11R1.159 B(c1cccc(c1F)C)(O)O TS46400 [0,2,0,0,0,0|1,0,1]=4 3178 B11R1.159 B(c1cccc(c1F)Cl)(O)O TS46453 [0,2,0,0,0,0|1,0,1]=4 3179 B11R1.159 B(c1cccc(c1F)F)(O)O TS93150 [0,2,0,0,0,0|1,0,1]=4 3180 B11R1.159 B(c1cccc(c1F)I)(O)O TS30226 [0,2,0,0,0,0|1,0,1]=4 3181 B11R1.159 B(c1cccc(c1O)C)(O)O TS10105 [0,2,0,0,0,0|1,0,1]=4 3182 B11R1.159 B(c1cccc(c1O)F)(O)O TS41563 [0,2,0,0,0,0|1,0,1]=4 3183 B11R1.159 CC(=O)c1cccc(c1Cl)Cl TS50849 [0,2,0,0,0,0|1,0,0]=3 3184 B11R1.159 CC(=O)c1cccc(c1F)Br TS08677 [0,2,0,0,0,0|1,0,0]=3 3185 B11R1.159 CC(=O)c1cccc(c1F)F TS10653 [0,2,0,0,0,0|1,0,0]=3 3186 B11R1.159 CC(=O)c1cccc(c1N)O TS41015 [0,2,0,0,0,0|1,0,0]=3 3187 B11R1.159 CC(=O)c1cccc(c1O)Cl TS46713 [0,2,0,0,0,0|1,0,0]=3 3188 B11R1.159 CC(=O)c1cccc(c1O)N TS94037 [0,2,0,0,0,0|1,0,0]=3 3189 B11R1.159 CC(=O)c1cccc(c1O)N TS94220 [0,2,0,0,0,0|1,0,0]=3 3190 B11R1.159 CC(=O)c1cccc(c1O)O TS46700 [0,2,0,0,0,0|1,0,0]=3 3191 B11R1.159 CC(=O)c1ccnc(c1N)Cl TS46708 [0,2,0,0,0,0|2,0,0]=4 3192 B11R1.159 Cc1c(cccc1Br)C(=O)O TS65906 [0,2,0,0,0,0|0,0,0]=2 3193 B11R1.159 Cc1c(cccc1Br)[N+](=O)[O-] TS08376 [0,2,0,0,0,0|1,0,1]=4 3194 B11R1.159 Cc1c(cccc1Cl)C(=O)O TS12927 [0,2,0,0,0,0|0,0,0]=2 3195 B11R1.159 Cc1c(cccc1Cl)[N+](=O)[O-] TS13076 [0,2,0,0,0,0|1,0,1]=4 3196 B11R1.159 Cc1c(cccc1F)C(=O)O TS70571 [0,2,0,0,0,0|0,0,0]=2 3197 B11R1.159 Cc1c(cccc1F)[N+](=O)[O-] TS65427 [0,2,0,0,0,0|1,0,1]=4 3198 B11R1.159 Cc1c(cccc1I)C(=O)O TS29741 [0,2,0,0,0,0|0,0,0]=2 3199 B11R1.159 Cc1c(cccc1N)C(=O)O TS22768 [0,2,0,0,0,0|0,0,0]=2 3200 B11R1.159 Cc1c(cccc1O)C(=O)O TS02787 [0,2,0,0,0,0|0,0,0]=2 3201 B11R1.159 Cc1c(cccc1O)[N+](=O)[O-] TS01061 [0,2,0,0,0,0|1,0,1]=4 3202 B11R1.159 Cc1c(cccc1[N+](=O)[O-])N TS01111 [0,2,0,0,0,0|1,0,1]=4 3203 B11R1.159 Cc1cccc(c1Br)C(=O)O TS08307 [0,2,0,0,0,0|0,0,0]=2 3204 B11R1.159 Cc1cccc(c1Br)[N+](=O)[O-] TS08313 [0,2,0,0,0,0|1,0,1]=4 3205 B11R1.159 Cc1cccc(c1C)C(=O)C TS07466 [0,2,0,0,0,0|1,0,0]=3 3206 B11R1.159 Cc1cccc(c1C)C(=O)Cl TS12620 [0,2,0,0,0,0|1,0,0]=3 3207 B11R1.159 Cc1cccc(c1C)C(=O)N TS40746 [0,2,0,0,0,0|1,0,0]=3 3208 B11R1.159 Cc1cccc(c1C)C(=O)O TS47166 [0,2,0,0,0,0|0,0,0]=2 3209 B11R1.159 Cc1cccc(c1C)C(C)O TS09918 [0,2,0,0,0,0|1,0,1]=4 3210 B11R1.159 Cc1cccc(c1C)[N+](=O)[O-] TS02867 [0,2,0,0,0,0|1,0,1]=4 3211 B11R1.159 Cc1cccc(c1Cl)C(=O)O TS55200 [0,2,0,0,0,0|0,0,0]=2 3212 B11R1.159 Cc1cccc(c1Cl)[N+](=O)[O-] TS09268 [0,2,0,0,0,0|1,0,1]=4 3213 B11R1.159 Cc1cccc(c1F)C(=O)N TS10309 [0,2,0,0,0,0|1,0,0]=3 3214 B11R1.159 Cc1cccc(c1F)C(=O)O TS08400 [0,2,0,0,0,0|0,0,0]=2 3215 B11R1.159 Cc1cccc(c1F)[N+](=O)[O-] TS08408 [0,2,0,0,0,0|1,0,1]=4 3216 B11R1.159 Cc1cccc(c1I)C(=O)O TS29735 [0,2,0,0,0,0|0,0,0]=2 3217 B11R1.159 Cc1cccc(c1N)C(=O)O TS47376 [0,2,0,0,0,0|0,0,0]=2 3218 B11R1.159 Cc1cccc(c1N)[N+](=O)[O-] TS59973 [0,2,0,0,0,0|1,0,1]=4 3219 B11R1.159 Cc1cccc(c1O)C(=O)O TS10143 [0,2,0,0,0,0|0,0,0]=2 3220 B11R1.159 Cc1cccc(c1O)C(=O)[O-] TS13445 [0,2,0,0,0,0|0,0,1]=3 3221 B11R1.159 Cc1cccc(c1O)[N+](=O)[O-] TS01280 [0,2,0,0,0,0|1,0,1]=4 3222 B11R1.159 Cn1cccc(c1=O)C(=O)O TS86053 [0,2,0,0,0,0|1,0,0]=3 3223 B11R1.159 c1[nH]c(=O)c(c(n1)C(=O)O)Cl TS45855 [0,2,0,0,0,0|2,0,0]=4 3224 B11R1.159 c1c(c(c(cn1)Br)N)C(=O)O TS22160 [0,2,0,0,0,0|1,0,0]=3 3225 B11R1.159 c1c(c(c(cn1)Cl)Cl)C(=O)O TS51385 [0,2,0,0,0,0|1,0,0]=3 3226 B11R1.159 c1c(c(c(cn1)Cl)N)C(=O)O TS13257 [0,2,0,0,0,0|1,0,0]=3 3227 B11R1.159 c1cc(c(c(c1)Br)Cl)C(=O)O TS25786 [0,2,0,0,0,0|0,0,0]=2 3228 B11R1.159 c1cc(c(c(c1)Br)Cl)[N+](=O)[O-] TS46912 [0,2,0,0,0,0|1,0,1]=4 3229 B11R1.159 c1cc(c(c(c1)Br)F)C(=O)O TS16864 [0,2,0,0,0,0|0,0,0]=2 3230 B11R1.159 c1cc(c(c(c1)Br)F)N(=O)=O TS16865 [0,2,0,0,0,0|1,0,1]=4 3231 B11R1.159 c1cc(c(c(c1)Br)N)C(=O)O TS08283 [0,2,0,0,0,0|0,0,0]=2 3232 B11R1.159 c1cc(c(c(c1)Br)N)[N+](=O)[O-] TS08372 [0,2,0,0,0,0|1,0,1]=4 3233 B11R1.159 c1cc(c(c(c1)Br)O)C(=O)O TS65903 [0,2,0,0,0,0|0,0,0]=2 3234 B11R1.159 c1cc(c(c(c1)Br)O)[N+](=O)[O-] TS08374 [0,2,0,0,0,0|1,0,1]=4 3235 B11R1.159 c1cc(c(c(c1)Cl)Cl)C(=N)N TS24064 [0,2,0,0,0,0|2,0,0]=4 3236 B11R1.159 c1cc(c(c(c1)Cl)Cl)C(=O)Cl TS07690 [0,2,0,0,0,0|1,0,0]=3 3237 B11R1.159 c1cc(c(c(c1)Cl)Cl)C(=O)N TS16281 [0,2,0,0,0,0|1,0,0]=3 3238 B11R1.159 c1cc(c(c(c1)Cl)Cl)C(=O)O TS17215 [0,2,0,0,0,0|0,0,0]=2 3239 B11R1.159 c1cc(c(c(c1)Cl)Cl)C(=S)N TS20103 [0,2,0,0,0,0|1,1,0]=4 3240 B11R1.159 c1cc(c(c(c1)Cl)Cl)N(=O)=O TS51387 [0,2,0,0,0,0|1,0,1]=4 3241 B11R1.159 c1cc(c(c(c1)Cl)F)C(=O)Cl TS17599 [0,2,0,0,0,0|1,0,0]=3 3242 B11R1.159 c1cc(c(c(c1)Cl)F)C(=O)F TS13935 [0,2,0,0,0,0|1,0,0]=3 3243 B11R1.159 c1cc(c(c(c1)Cl)F)C(=O)N TS13405 [0,2,0,0,0,0|1,0,0]=3 3244 B11R1.159 c1cc(c(c(c1)Cl)F)C(=O)O TS55323 [0,2,0,0,0,0|0,0,0]=2 3245 B11R1.159 c1cc(c(c(c1)Cl)F)N(=O)=O TS65971 [0,2,0,0,0,0|1,0,1]=4 3246 B11R1.159 c1cc(c(c(c1)Cl)N)C(=O)O TS02713 [0,2,0,0,0,0|0,0,0]=2 3247 B11R1.159 c1cc(c(c(c1)Cl)N)[N+](=O)[O-] TS00939 [0,2,0,0,0,0|1,0,1]=4 3248 B11R1.159 c1cc(c(c(c1)Cl)O)C(=O)O TS13252 [0,2,0,0,0,0|0,0,0]=2 3249 B11R1.159 c1cc(c(c(c1)Cl)O)[N+](=O)[O-] TS65408 [0,2,0,0,0,0|1,0,1]=4 3250 B11R1.159 c1cc(c(c(c1)F)Br)C(=O)O TS08298 [0,2,0,0,0,0|0,0,0]=2 3251 B11R1.159 c1cc(c(c(c1)F)Br)N(=O)=O TS08299 [0,2,0,0,0,0|1,0,1]=4 3252 B11R1.159 c1cc(c(c(c1)F)Cl)C(=O)O TS08825 [0,2,0,0,0,0|0,0,0]=2 3253 B11R1.159 c1cc(c(c(c1)F)Cl)N(=O)=O TS55191 [0,2,0,0,0,0|1,0,1]=4 3254 B11R1.159 c1cc(c(c(c1)F)F)C(=O)Cl TS13934 [0,2,0,0,0,0|1,0,0]=3 3255 B11R1.159 c1cc(c(c(c1)F)F)C(=O)N TS41747 [0,2,0,0,0,0|1,0,0]=3 3256 B11R1.159 c1cc(c(c(c1)F)F)C(=O)O TS41848 [0,2,0,0,0,0|0,0,0]=2 3257 B11R1.159 c1cc(c(c(c1)F)F)N(=O)=O TS00558 [0,2,0,0,0,0|1,0,1]=4 3258 B11R1.159 c1cc(c(c(c1)F)I)C(=O)O TS70565 [0,2,0,0,0,0|0,0,0]=2 3259 B11R1.159 c1cc(c(c(c1)F)I)N(=O)=O TS60297 [0,2,0,0,0,0|1,0,1]=4 3260 B11R1.159 c1cc(c(c(c1)F)N)C(=O)O TS47360 [0,2,0,0,0,0|0,0,0]=2 3261 B11R1.159 c1cc(c(c(c1)F)N)[N+](=O)[O-] TS55371 [0,2,0,0,0,0|1,0,1]=4 3262 B11R1.159 c1cc(c(c(c1)F)O)C(=O)O TS59690 [0,2,0,0,0,0|0,0,0]=2 3263 B11R1.159 c1cc(c(c(c1)F)O)[N+](=O)[O-] TS55373 [0,2,0,0,0,0|1,0,1]=4 3264 B11R1.159 c1cc(c(c(c1)I)F)C(=O)O TS09287 [0,2,0,0,0,0|0,0,0]=2 3265 B11R1.159 c1cc(c(c(c1)I)N)C(=O)O TS68678 [0,2,0,0,0,0|0,0,0]=2 3266 B11R1.159 c1cc(c(c(c1)N)Cl)C(=O)O TS02627 [0,2,0,0,0,0|0,0,0]=2 3267 B11R1.159 c1cc(c(c(c1)N)F)C(=O)O TS08861 [0,2,0,0,0,0|0,0,0]=2 3268 B11R1.159 c1cc(c(c(c1)N)N)C(=O)N TS65011 [0,2,0,0,0,0|1,0,0]=3 3269 B11R1.159 c1cc(c(c(c1)N)O)C(=O)O TS39705 [0,2,0,0,0,0|0,0,0]=2 3270 B11R1.159 c1cc(c(c(c1)O)Br)[N+](=O)[O-] TS22760 [0,2,0,0,0,0|1,0,1]=4 3271 B11R1.159 c1cc(c(c(c1)O)Cl)[N+](=O)[O-] TS55207 [0,2,0,0,0,0|1,0,1]=4 3272 B11R1.159 c1cc(c(c(c1)O)F)[N+](=O)[O-] TS08406 [0,2,0,0,0,0|1,0,1]=4 3273 B11R1.159 c1cc(c(c(c1)O)N)C(=O)O TS50976 [0,2,0,0,0,0|0,0,0]=2 3274 B11R1.159 c1cc(c(c(c1)O)N)C(=O)O TS65023 [0,2,0,0,0,0|0,0,0]=2 3275 B11R1.159 c1cc(c(c(c1)O)N)[N+](=O)[O-] TS00725 [0,2,0,0,0,0|1,0,1]=4 3276 B11R1.159 c1cc(c(c(c1)O)O)C(=O)O TS47161 [0,2,0,0,0,0|0,0,0]=2 3277 B11R1.159 c1cc(c(c(c1)[N+](=O)[O-])N)N TS01795 [0,2,0,0,0,0|1,0,1]=4 3278 B11R1.159 c1cnc(c(c1C(=O)N)N)Cl TS13081 [0,2,0,0,0,0|2,0,0]=4 3279 B11R1.159 c1cnc(c(c1C(=O)O)Cl)Br TS85394 [0,2,0,0,0,0|1,0,0]=3 3280 B11R1.159 c1cnc(c(c1C(=O)O)Cl)Cl TS47152 [0,2,0,0,0,0|1,0,0]=3 3281 B11R1.159 c1cnc(c(c1C(=O)O)F)Cl TS65040 [0,2,0,0,0,0|1,0,0]=3 3282 B11R1.159 c1cnc(c(c1C(=O)O)F)F TS11097 [0,2,0,0,0,0|1,0,0]=3 3283 B11R1.159 c1cnc(c(c1C(=O)O)F)I TS30363 [0,2,0,0,0,0|1,0,0]=3 3284 B11R1.159 c1cnc(c(c1C(=O)O)I)Br TS77711 [0,2,0,0,0,0|1,0,0]=3 3285 B11R1.159 c1cnc(c(c1C(=O)O)O)Cl TS45690 [0,2,0,0,0,0|1,0,0]=3 3286 B11R1.159 c1cnc(c(c1N)Cl)C(=O)O TS13260 [0,2,0,0,0,0|1,0,0]=3 3287 B11R1.167 B(c1cc(ccc1Br)Br)(O)O TS34148 [0,2,0,0,0,0|1,0,1]=4 3288 B11R1.167 B(c1cc(ccc1Br)F)(O)O TS49537 [0,2,0,0,0,0|1,0,1]=4 3289 B11R1.167 B(c1cc(ccc1C)C)(O)O TS40812 [0,2,0,0,0,0|1,0,1]=4 3290 B11R1.167 B(c1cc(ccc1C)Cl)(O)O TS08049 [0,2,0,0,0,0|1,0,1]=4 3291 B11R1.167 B(c1cc(ccc1C)F)(O)O TS55453 [0,2,0,0,0,0|1,0,1]=4 3292 B11R1.167 B(c1cc(ccc1Cl)C)(O)O TS46387 [0,2,0,0,0,0|1,0,1]=4 3293 B11R1.167 B(c1cc(ccc1Cl)F)(O)O TS60276 [0,2,0,0,0,0|1,0,1]=4 3294 B11R1.167 B(c1cc(ccc1F)Br)(O)O TS32801 [0,2,0,0,0,0|1,0,1]=4 3295 B11R1.167 B(c1cc(ccc1F)C)(O)O TS01009 [0,2,0,0,0,0|1,0,1]=4 3296 B11R1.167 B(c1cc(ccc1F)Cl)(O)O TS45851 [0,2,0,0,0,0|1,0,1]=4 3297 B11R1.167 B(c1cc(ccc1F)F)(O)O TS00678 [0,2,0,0,0,0|1,0,1]=4 3298 B11R1.167 B(c1cc(ccc1F)N)(O)O TS41478 [0,2,0,0,0,0|1,0,1]=4 3299 B11R1.167 B(c1cc(ccc1N)F)(O)O TS41477 [0,2,0,0,0,0|1,0,1]=4 3300 B11R1.167 B(c1cc(ccc1O)Br)(O)O TS22151 [0,2,0,0,0,0|1,0,1]=4 3301 B11R1.167 B(c1cc(ccc1O)Cl)(O)O TS71494 [0,2,0,0,0,0|1,0,1]=4 3302 B11R1.167 B(c1cc(ccc1O)F)(O)O TS71537 [0,2,0,0,0,0|1,0,1]=4 3303 B11R1.167 CC(=O)c1cc(ccc1Br)Br TS31290 [0,2,0,0,0,0|1,0,0]=3 3304 B11R1.167 CC(=O)c1cc(ccc1Br)F TS08814 [0,2,0,0,0,0|1,0,0]=3 3305 B11R1.167 CC(=O)c1cc(ccc1Cl)Cl TS47257 [0,2,0,0,0,0|1,0,0]=3 3306 B11R1.167 CC(=O)c1cc(ccc1Cl)F TS13263 [0,2,0,0,0,0|1,0,0]=3 3307 B11R1.167 CC(=O)c1cc(ccc1Cl)N TS12725 [0,2,0,0,0,0|1,0,0]=3 3308 B11R1.167 CC(=O)c1cc(ccc1F)Br TS08178 [0,2,0,0,0,0|1,0,0]=3 3309 B11R1.167 CC(=O)c1cc(ccc1F)F TS00671 [0,2,0,0,0,0|1,0,0]=3 3310 B11R1.167 CC(=O)c1cc(ccc1F)O TS41349 [0,2,0,0,0,0|1,0,0]=3 3311 B11R1.167 CC(=O)c1cc(ccc1O)Br TS71430 [0,2,0,0,0,0|1,0,0]=3 3312 B11R1.167 CC(=O)c1cc(ccc1O)Cl TS71491 [0,2,0,0,0,0|1,0,0]=3 3313 B11R1.167 CC(=O)c1cc(ccc1O)F TS71535 [0,2,0,0,0,0|1,0,0]=3 3314 B11R1.167 CC(=O)c1cc(ccc1O)O TS65012 [0,2,0,0,0,0|1,0,0]=3 3315 B11R1.167 CC(=O)c1cc(cnc1Cl)Br TS89970 [0,2,0,0,0,0|2,0,0]=4 3316 B11R1.167 CC(=O)c1cc(cnc1F)Br TS49340 [0,2,0,0,0,0|2,0,0]=4 3317 B11R1.167 CC(c1cc(ccc1Cl)Cl)O TS65343 [0,2,0,0,0,0|1,0,1]=4 3318 B11R1.167 CC(c1cc(ccc1F)Br)O TS22531 [0,2,0,0,0,0|1,0,1]=4 3319 B11R1.167 CC(c1cc(ccc1O)Cl)O TS45560 [0,2,0,0,0,0|1,0,1]=4 3320 B11R1.167 Cc1cc(c(cn1)N)C(=O)O TS88670 [0,2,0,0,0,0|1,0,0]=3 3321 B11R1.167 Cc1cc(c(nc1)Cl)C(=O)O TS13067 [0,2,0,0,0,0|1,0,0]=3 3322 B11R1.167 Cc1cc(c(nc1)N)C(=O)O TS47442 [0,2,0,0,0,0|1,0,0]=3 3323 B11R1.167 Cc1ccc(c(c1)C(=O)C)C TS07477 [0,2,0,0,0,0|1,0,0]=3 3324 B11R1.167 Cc1ccc(c(c1)C(=O)C)F TS65414 [0,2,0,0,0,0|1,0,0]=3 3325 B11R1.167 Cc1ccc(c(c1)C(=O)Cl)F TS13266 [0,2,0,0,0,0|1,0,0]=3 3326 B11R1.167 Cc1ccc(c(c1)C(=O)N)N TS09882 [0,2,0,0,0,0|1,0,0]=3 3327 B11R1.167 Cc1ccc(c(c1)C(=O)N)O TS41004 [0,2,0,0,0,0|1,0,0]=3 3328 B11R1.167 Cc1ccc(c(c1)C(=O)O)Br TS44641 [0,2,0,0,0,0|0,0,0]=2 3329 B11R1.167 Cc1ccc(c(c1)C(=O)O)C TS39633 [0,2,0,0,0,0|0,0,0]=2 3330 B11R1.167 Cc1ccc(c(c1)C(=O)O)Cl TS00913 [0,2,0,0,0,0|0,0,0]=2 3331 B11R1.167 Cc1ccc(c(c1)C(=O)O)F TS01007 [0,2,0,0,0,0|0,0,0]=2 3332 B11R1.167 Cc1ccc(c(c1)C(=O)O)I TS01076 [0,2,0,0,0,0|0,0,0]=2 3333 B11R1.167 Cc1ccc(c(c1)C(=O)O)N TS93654 [0,2,0,0,0,0|0,0,0]=2 3334 B11R1.167 Cc1ccc(c(c1)C(=O)O)O TS39669 [0,2,0,0,0,0|0,0,0]=2 3335 B11R1.167 Cc1ccc(c(c1)C(C)O)C TS40905 [0,2,0,0,0,0|1,0,1]=4 3336 B11R1.167 Cc1ccc(c(c1)[N+](=O)[O-])Br TS08749 [0,2,0,0,0,0|1,0,1]=4 3337 B11R1.167 Cc1ccc(c(c1)[N+](=O)[O-])C TS10012 [0,2,0,0,0,0|1,0,1]=4 3338 B11R1.167 Cc1ccc(c(c1)[N+](=O)[O-])Cl TS13074 [0,2,0,0,0,0|1,0,1]=4 3339 B11R1.167 Cc1ccc(c(c1)[N+](=O)[O-])F TS71131 [0,2,0,0,0,0|1,0,1]=4 3340 B11R1.167 Cc1ccc(c(c1)[N+](=O)[O-])I TS07801 [0,2,0,0,0,0|1,0,1]=4 3341 B11R1.167 Cc1ccc(c(c1)[N+](=O)[O-])N TS39761 [0,2,0,0,0,0|1,0,1]=4 3342 B11R1.167 Cc1ccc(c(c1)[N+](=O)[O-])O TS41245 [0,2,0,0,0,0|1,0,1]=4 3343 B11R1.167 Cc1ccc(cc1C(=O)Cl)F TS45555 [0,2,0,0,0,0|1,0,0]=3 3344 B11R1.167 Cc1ccc(cc1C(=O)N)F TS10308 [0,2,0,0,0,0|1,0,0]=3 3345 B11R1.167 Cc1ccc(cc1C(=O)O)Br TS09795 [0,2,0,0,0,0|0,0,0]=2 3346 B11R1.167 Cc1ccc(cc1C(=O)O)Cl TS59724 [0,2,0,0,0,0|0,0,0]=2 3347 B11R1.167 Cc1ccc(cc1C(=O)O)F TS71548 [0,2,0,0,0,0|0,0,0]=2 3348 B11R1.167 Cc1ccc(cc1C(=O)O)I TS71573 [0,2,0,0,0,0|0,0,0]=2 3349 B11R1.167 Cc1ccc(cc1C(=O)O)N TS10034 [0,2,0,0,0,0|0,0,0]=2 3350 B11R1.167 Cc1ccc(cc1C(=O)O)O TS08754 [0,2,0,0,0,0|0,0,0]=2 3351 B11R1.167 Cc1ccc(cc1[N+](=O)[O-])Br TS70970 [0,2,0,0,0,0|1,0,1]=4 3352 B11R1.167 Cc1ccc(cc1[N+](=O)[O-])Cl TS71028 [0,2,0,0,0,0|1,0,1]=4 3353 B11R1.167 Cc1ccc(cc1[N+](=O)[O-])F TS09709 [0,2,0,0,0,0|1,0,1]=4 3354 B11R1.167 Cc1ccc(cc1[N+](=O)[O-])I TS71189 [0,2,0,0,0,0|1,0,1]=4 3355 B11R1.167 Cc1ccc(cc1[N+](=O)[O-])N TS71231 [0,2,0,0,0,0|1,0,1]=4 3356 B11R1.167 Cc1ccc(cc1[N+](=O)[O-])O TS01859 [0,2,0,0,0,0|1,0,1]=4 3357 B11R1.167 Cc1ncc(c(n1)C(=O)O)Br TS55452 [0,2,0,0,0,0|2,0,0]=4 3358 B11R1.167 c1c(c(cnc1Br)Br)C(=O)O TS34266 [0,2,0,0,0,0|1,0,0]=3 3359 B11R1.167 c1c(c(cnc1Br)N)C(=O)O TS85822 [0,2,0,0,0,0|1,0,0]=3 3360 B11R1.167 c1c(c(cnc1Cl)Br)C(=O)O TS16984 [0,2,0,0,0,0|1,0,0]=3 3361 B11R1.167 c1c(c(cnc1Cl)Cl)C(=O)O TS00661 [0,2,0,0,0,0|1,0,0]=3 3362 B11R1.167 c1c(c(cnc1Cl)N)C(=O)O TS71357 [0,2,0,0,0,0|1,0,0]=3 3363 B11R1.167 c1c(c(cnc1F)N)C(=O)O TS10650 [0,2,0,0,0,0|1,0,0]=3 3364 B11R1.167 c1c(c(nc(n1)N)C(=O)O)Cl TS45693 [0,2,0,0,0,0|2,0,0]=4 3365 B11R1.167 c1c(c(nnc1Cl)Cl)C(=O)O TS38580 [0,2,0,0,0,0|2,0,0]=4 3366 B11R1.167 c1c(c(nnc1Cl)Cl)C(=O)O TS59599 [0,2,0,0,0,0|2,0,0]=4 3367 B11R1.167 c1c(cnc(c1C(=O)Cl)Cl)Cl TS43890 [0,2,0,0,0,0|2,0,0]=4 3368 B11R1.167 c1c(cnc(c1C(=O)N)Cl)Cl TS00662 [0,2,0,0,0,0|2,0,0]=4 3369 B11R1.167 c1c(cnc(c1C(=O)O)Br)Br TS59583 [0,2,0,0,0,0|1,0,0]=3 3370 B11R1.167 c1c(cnc(c1C(=O)O)Br)Cl TS55120 [0,2,0,0,0,0|1,0,0]=3 3371 B11R1.167 c1c(cnc(c1C(=O)O)Cl)Br TS16986 [0,2,0,0,0,0|1,0,0]=3 3372 B11R1.167 c1c(cnc(c1C(=O)O)Cl)Cl TS00663 [0,2,0,0,0,0|1,0,0]=3 3373 B11R1.167 c1c(cnc(c1C(=O)O)Cl)F TS55246 [0,2,0,0,0,0|1,0,0]=3 3374 B11R1.167 c1c(cnc(c1C(=O)O)Cl)N TS13259 [0,2,0,0,0,0|1,0,0]=3 3375 B11R1.167 c1c(cnc(c1C(=O)O)F)Br TS71423 [0,2,0,0,0,0|1,0,0]=3 3376 B11R1.167 c1c(cnc(c1C(=O)O)F)Cl TS09844 [0,2,0,0,0,0|1,0,0]=3 3377 B11R1.167 c1c(cnc(c1C(=O)O)F)F TS42019 [0,2,0,0,0,0|1,0,0]=3 3378 B11R1.167 c1c(cnc(c1C(=O)O)N)Br TS47432 [0,2,0,0,0,0|1,0,0]=3 3379 B11R1.167 c1c(cnc(c1C(=O)O)N)Br TS86237 [0,2,0,0,0,0|1,0,0]=3 3380 B11R1.167 c1c(cnc(c1C(=O)O)O)Br TS09780 [0,2,0,0,0,0|1,0,0]=3 3381 B11R1.167 c1c(cnc(c1C(=O)O)O)Cl TS71493 [0,2,0,0,0,0|1,0,0]=3 3382 B11R1.167 c1c(cnc(c1C(=O)O)O)F TS10827 [0,2,0,0,0,0|1,0,0]=3 3383 B11R1.167 c1c(nc(c(n1)N)C(=O)O)Br TS02658 [0,2,0,0,0,0|2,0,0]=4 3384 B11R1.167 c1c(nc(c(n1)N)C(=O)O)Cl TS60002 [0,2,0,0,0,0|2,0,0]=4 3385 B11R1.167 c1c(nc(c(n1)N)C(=O)O)I TS30111 [0,2,0,0,0,0|2,0,0]=4 3386 B11R1.167 c1cc(c(cc1Br)C(=O)Cl)Cl TS28542 [0,2,0,0,0,0|1,0,0]=3 3387 B11R1.167 c1cc(c(cc1Br)C(=O)N)O TS09821 [0,2,0,0,0,0|1,0,0]=3 3388 B11R1.167 c1cc(c(cc1Br)C(=O)O)Br TS47248 [0,2,0,0,0,0|0,0,0]=2 3389 B11R1.167 c1cc(c(cc1Br)C(=O)O)Cl TS93544 [0,2,0,0,0,0|0,0,0]=2 3390 B11R1.167 c1cc(c(cc1Br)C(=O)O)F TS71420 [0,2,0,0,0,0|0,0,0]=2 3391 B11R1.167 c1cc(c(cc1Br)C(=O)O)I TS09784 [0,2,0,0,0,0|0,0,0]=2 3392 B11R1.167 c1cc(c(cc1Br)C(=O)O)N TS44778 [0,2,0,0,0,0|0,0,0]=2 3393 B11R1.167 c1cc(c(cc1Br)C(=O)O)O TS22157 [0,2,0,0,0,0|0,0,0]=2 3394 B11R1.167 c1cc(c(cc1Br)C(=O)O)S TS25340 [0,2,0,0,0,0|0,0,0]=2 3395 B11R1.167 c1cc(c(cc1Br)[N+](=O)[O-])Br TS34265 [0,2,0,0,0,0|1,0,1]=4 3396 B11R1.167 c1cc(c(cc1Br)[N+](=O)[O-])Cl TS39529 [0,2,0,0,0,0|1,0,1]=4 3397 B11R1.167 c1cc(c(cc1Br)[N+](=O)[O-])F TS71424 [0,2,0,0,0,0|1,0,1]=4 3398 B11R1.167 c1cc(c(cc1Br)[N+](=O)[O-])N TS70966 [0,2,0,0,0,0|1,0,1]=4 3399 B11R1.167 c1cc(c(cc1Br)[N+](=O)[O-])O TS70969 [0,2,0,0,0,0|1,0,1]=4 3400 B11R1.167 c1cc(c(cc1Cl)C(=O)Cl)Cl TS00659 [0,2,0,0,0,0|1,0,0]=3 3401 B11R1.167 c1cc(c(cc1Cl)C(=O)Cl)F TS17600 [0,2,0,0,0,0|1,0,0]=3 3402 B11R1.167 c1cc(c(cc1Cl)C(=O)N)F TS13401 [0,2,0,0,0,0|1,0,0]=3 3403 B11R1.167 c1cc(c(cc1Cl)C(=O)N)N TS45231 [0,2,0,0,0,0|1,0,0]=3 3404 B11R1.167 c1cc(c(cc1Cl)C(=O)N)O TS39772 [0,2,0,0,0,0|1,0,0]=3 3405 B11R1.167 c1cc(c(cc1Cl)C(=O)O)Br TS55118 [0,2,0,0,0,0|0,0,0]=2 3406 B11R1.167 c1cc(c(cc1Cl)C(=O)O)Cl TS17212 [0,2,0,0,0,0|0,0,0]=2 3407 B11R1.167 c1cc(c(cc1Cl)C(=O)O)F TS09840 [0,2,0,0,0,0|0,0,0]=2 3408 B11R1.167 c1cc(c(cc1Cl)C(=O)O)I TS07824 [0,2,0,0,0,0|0,0,0]=2 3409 B11R1.167 c1cc(c(cc1Cl)C(=O)O)N TS00775 [0,2,0,0,0,0|0,0,0]=2 3410 B11R1.167 c1cc(c(cc1Cl)C(=O)O)N TS43384 [0,2,0,0,0,0|0,0,0]=2 3411 B11R1.167 c1cc(c(cc1Cl)C(=O)O)O TS13255 [0,2,0,0,0,0|0,0,0]=2 3412 B11R1.167 c1cc(c(cc1Cl)C(=O)O)S TS50836 [0,2,0,0,0,0|0,0,0]=2 3413 B11R1.167 c1cc(c(cc1Cl)N(=O)=O)F TS09845 [0,2,0,0,0,0|1,0,1]=4 3414 B11R1.167 c1cc(c(cc1Cl)[N+](=O)[O-])Br TS16851 [0,2,0,0,0,0|1,0,1]=4 3415 B11R1.167 c1cc(c(cc1Cl)[N+](=O)[O-])Cl TS00664 [0,2,0,0,0,0|1,0,1]=4 3416 B11R1.167 c1cc(c(cc1Cl)[N+](=O)[O-])N TS39746 [0,2,0,0,0,0|1,0,1]=4 3417 B11R1.167 c1cc(c(cc1Cl)[N+](=O)[O-])O TS45692 [0,2,0,0,0,0|1,0,1]=4 3418 B11R1.167 c1cc(c(cc1F)C(=N)N)F TS17576 [0,2,0,0,0,0|2,0,0]=4 3419 B11R1.167 c1cc(c(cc1F)C(=O)Cl)Br TS26098 [0,2,0,0,0,0|1,0,0]=3 3420 B11R1.167 c1cc(c(cc1F)C(=O)Cl)Cl TS17597 [0,2,0,0,0,0|1,0,0]=3 3421 B11R1.167 c1cc(c(cc1F)C(=O)N)Cl TS13404 [0,2,0,0,0,0|1,0,0]=3 3422 B11R1.167 c1cc(c(cc1F)C(=O)N)F TS41741 [0,2,0,0,0,0|1,0,0]=3 3423 B11R1.167 c1cc(c(cc1F)C(=O)N)N TS00785 [0,2,0,0,0,0|1,0,0]=3 3424 B11R1.167 c1cc(c(cc1F)C(=O)O)Br TS60266 [0,2,0,0,0,0|0,0,0]=2 3425 B11R1.167 c1cc(c(cc1F)C(=O)O)Cl TS09282 [0,2,0,0,0,0|0,0,0]=2 3426 B11R1.167 c1cc(c(cc1F)C(=O)O)F TS00676 [0,2,0,0,0,0|0,0,0]=2 3427 B11R1.167 c1cc(c(cc1F)C(=O)O)I TS01073 [0,2,0,0,0,0|0,0,0]=2 3428 B11R1.167 c1cc(c(cc1F)C(=O)O)N TS08951 [0,2,0,0,0,0|0,0,0]=2 3429 B11R1.167 c1cc(c(cc1F)C(=O)O)O TS10648 [0,2,0,0,0,0|0,0,0]=2 3430 B11R1.167 c1cc(c(cc1F)C(=O)O)S TS13136 [0,2,0,0,0,0|0,0,0]=2 3431 B11R1.167 c1cc(c(cc1F)N(=O)=O)Cl TS59953 [0,2,0,0,0,0|1,0,1]=4 3432 B11R1.167 c1cc(c(cc1F)N(=O)=O)I TS01074 [0,2,0,0,0,0|1,0,1]=4 3433 B11R1.167 c1cc(c(cc1F)[N+](=O)[O-])N TS09705 [0,2,0,0,0,0|1,0,1]=4 3434 B11R1.167 c1cc(c(cc1F)[N+](=O)[O-])O TS09708 [0,2,0,0,0,0|1,0,1]=4 3435 B11R1.167 c1cc(c(cc1I)C(=O)O)Br TS77657 [0,2,0,0,0,0|0,0,0]=2 3436 B11R1.167 c1cc(c(cc1I)C(=O)O)Cl TS65397 [0,2,0,0,0,0|0,0,0]=2 3437 B11R1.167 c1cc(c(cc1I)C(=O)O)F TS01001 [0,2,0,0,0,0|0,0,0]=2 3438 B11R1.167 c1cc(c(cc1I)C(=O)O)I TS66956 [0,2,0,0,0,0|0,0,0]=2 3439 B11R1.167 c1cc(c(cc1I)C(=O)O)N TS68682 [0,2,0,0,0,0|0,0,0]=2 3440 B11R1.167 c1cc(c(cc1I)C(=O)O)O TS29987 [0,2,0,0,0,0|0,0,0]=2 3441 B11R1.167 c1cc(c(cc1I)[N+](=O)[O-])N TS71188 [0,2,0,0,0,0|1,0,1]=4 3442 B11R1.167 c1cc(c(cc1N)C(=O)O)Br TS71352 [0,2,0,0,0,0|0,0,0]=2 3443 B11R1.167 c1cc(c(cc1N)C(=O)O)Cl TS13075 [0,2,0,0,0,0|0,0,0]=2 3444 B11R1.167 c1cc(c(cc1N)C(=O)O)Cl TS30728 [0,2,0,0,0,0|0,0,0]=2 3445 B11R1.167 c1cc(c(cc1N)C(=O)O)N TS41122 [0,2,0,0,0,0|0,0,0]=2 3446 B11R1.167 c1cc(c(cc1N)C(=O)O)O TS71390 [0,2,0,0,0,0|0,0,0]=2 3447 B11R1.167 c1cc(c(cc1N)C(=O)[O-])O TS45912 [0,2,0,0,0,0|0,0,1]=3 3448 B11R1.167 c1cc(c(cc1N)[N+](=O)[O-])Br TS39471 [0,2,0,0,0,0|1,0,1]=4 3449 B11R1.167 c1cc(c(cc1N)[N+](=O)[O-])Cl TS13261 [0,2,0,0,0,0|1,0,1]=4 3450 B11R1.167 c1cc(c(cc1N)[N+](=O)[O-])F TS39505 [0,2,0,0,0,0|1,0,1]=4 3451 B11R1.167 c1cc(c(cc1N)[N+](=O)[O-])N TS10293 [0,2,0,0,0,0|1,0,1]=4 3452 B11R1.167 c1cc(c(cc1N)[N+](=O)[O-])N TS62965 [0,2,0,0,0,0|1,0,1]=4 3453 B11R1.167 c1cc(c(cc1N)[N+](=O)[O-])O TS41334 [0,2,0,0,0,0|1,0,1]=4 3454 B11R1.167 c1cc(c(cc1O)C(=O)O)Br TS22158 [0,2,0,0,0,0|0,0,0]=2 3455 B11R1.167 c1cc(c(cc1O)C(=O)O)F TS00998 [0,2,0,0,0,0|0,0,0]=2 3456 B11R1.167 c1cc(c(cc1O)C(=O)O)I TS29985 [0,2,0,0,0,0|0,0,0]=2 3457 B11R1.167 c1cc(c(cc1O)C(=O)O)N TS03332 [0,2,0,0,0,0|0,0,0]=2 3458 B11R1.167 c1cc(c(cc1O)C(=O)O)O TS39630 [0,2,0,0,0,0|0,0,0]=2 3459 B11R1.167 c1cc(c(cc1O)C(=O)[O-])O TS13772 [0,2,0,0,0,0|0,0,1]=3 3460 B11R1.167 c1cc(c(cc1O)[N+](=O)[O-])Br TS70978 [0,2,0,0,0,0|1,0,1]=4 3461 B11R1.167 c1cc(c(cc1O)[N+](=O)[O-])Cl TS45691 [0,2,0,0,0,0|1,0,1]=4 3462 B11R1.167 c1cc(c(cc1O)[N+](=O)[O-])F TS71130 [0,2,0,0,0,0|1,0,1]=4 3463 B11R1.167 c1cc(c(cc1O)[N+](=O)[O-])I TS30110 [0,2,0,0,0,0|1,0,1]=4 3464 B11R1.167 c1cc(c(cc1O)[N+](=O)[O-])N TS39731 [0,2,0,0,0,0|1,0,1]=4 3465 B11R1.167 c1cc(c(cc1O)[N+](=O)[O-])O TS10556 [0,2,0,0,0,0|1,0,1]=4 3466 B11R1.167 c1cc(nc(c1Cl)C(=O)O)Cl TS51386 [0,2,0,0,0,0|1,0,0]=3 3467 B11R1.167 c1cc(nc(c1Cl)C(=O)O)Cl TS63216 [0,2,0,0,0,0|1,0,0]=3 3468 B11R1.167 c1cc(nc(c1F)C(=O)O)Cl TS39359 [0,2,0,0,0,0|1,0,0]=3 3469 B11R1.167 c1cc(nc(c1N)C(=O)N)Cl TS87041 [0,2,0,0,0,0|2,0,0]=4 3470 B11R1.167 c1cc(nc(c1N)C(=O)O)Cl TS89991 [0,2,0,0,0,0|1,0,0]=3 3471 B11R1.74 B(c1cc(cc(c1)Br)Br)(O)O TS22873 [0,2,0,0,0,0|1,0,1]=4 3472 B11R1.74 B(c1cc(cc(c1)Br)C)(O)O TS21803 [0,2,0,0,0,0|1,0,1]=4 3473 B11R1.74 B(c1cc(cc(c1)Br)F)(O)O TS49536 [0,2,0,0,0,0|1,0,1]=4 3474 B11R1.74 B(c1cc(cc(c1)C)C)(O)O TS65816 [0,2,0,0,0,0|1,0,1]=4 3475 B11R1.74 B(c1cc(cc(c1)Cl)Cl)(O)O TS85487 [0,2,0,0,0,0|1,0,1]=4 3476 B11R1.74 B(c1cc(cc(c1)Cl)F)(O)O TS65995 [0,2,0,0,0,0|1,0,1]=4 3477 B11R1.74 B(c1cc(cc(c1)F)C)(O)O TS16369 [0,2,0,0,0,0|1,0,1]=4 3478 B11R1.74 B(c1cc(cc(c1)F)F)(O)O TS02589 [0,2,0,0,0,0|1,0,1]=4 3479 B11R1.74 C1C(=CC(=O)OC1=O)C(=O)O TS41578 [0,2,0,0,0,0|1,0,1]=4 3480 B11R1.74 CC(=O)c1cc(cc(c1)Br)Br TS02193 [0,2,0,0,0,0|1,0,0]=3 3481 B11R1.74 CC(=O)c1cc(cc(c1)Cl)Cl TS65783 [0,2,0,0,0,0|1,0,0]=3 3482 B11R1.74 CC(=O)c1cc(cc(c1)Cl)F TS09350 [0,2,0,0,0,0|1,0,0]=3 3483 B11R1.74 CC(=O)c1cc(cc(c1)F)F TS08667 [0,2,0,0,0,0|1,0,0]=3 3484 B11R1.74 CC(=O)c1cc(cc(c1)O)O TS39572 [0,2,0,0,0,0|1,0,0]=3 3485 B11R1.74 Cc1cc(cc(c1)Br)[N+](=O)[O-] TS59900 [0,2,0,0,0,0|1,0,1]=4 3486 B11R1.74 Cc1cc(cc(c1)C(=N)N)C TS40672 [0,2,0,0,0,0|2,0,0]=4 3487 B11R1.74 Cc1cc(cc(c1)C(=O)C)C TS65809 [0,2,0,0,0,0|1,0,0]=3 3488 B11R1.74 Cc1cc(cc(c1)C(=O)Cl)C TS65812 [0,2,0,0,0,0|1,0,0]=3 3489 B11R1.74 Cc1cc(cc(c1)C(=O)O)C TS16729 [0,2,0,0,0,0|0,0,0]=2 3490 B11R1.74 Cc1cc(cc(c1)Cl)[N+](=O)[O-] TS13073 [0,2,0,0,0,0|1,0,1]=4 3491 B11R1.74 Cc1cc(cc(c1)F)C(=O)O TS70586 [0,2,0,0,0,0|0,0,0]=2 3492 B11R1.74 Cc1cc(cc(c1)F)[N+](=O)[O-] TS70588 [0,2,0,0,0,0|1,0,1]=4 3493 B11R1.74 Cc1cc(cc(c1)N(=O)=O)C TS10038 [0,2,0,0,0,0|1,0,1]=4 3494 B11R1.74 Cc1cc(cc(c1)N)C(=O)O TS65474 [0,2,0,0,0,0|0,0,0]=2 3495 B11R1.74 Cc1cc(cc(c1)[N+](=O)[O-])N TS65099 [0,2,0,0,0,0|1,0,1]=4 3496 B11R1.74 Cc1cc(cc(n1)C(=O)O)Br TS44774 [0,2,0,0,0,0|1,0,0]=3 3497 B11R1.74 Cc1cc(cc(n1)C(=O)O)Cl TS13066 [0,2,0,0,0,0|1,0,0]=3 3498 B11R1.74 Cc1cc(cc(n1)C)C(=O)O TS10020 [0,2,0,0,0,0|1,0,0]=3 3499 B11R1.74 Cc1cc(cc(n1)Cl)C(=O)Cl TS07938 [0,2,0,0,0,0|2,0,0]=4 3500 B11R1.74 Cc1cc(cc(n1)Cl)C(=O)O TS00932 [0,2,0,0,0,0|1,0,0]=3 3501 B11R1.74 Cc1cc(cc(n1)N)C(=O)O TS88197 [0,2,0,0,0,0|1,0,0]=3 3502 B11R1.74 Cc1cc(nc(c1)Cl)C(=O)O TS08424 [0,2,0,0,0,0|1,0,0]=3 3503 B11R1.74 Cc1cc(oc(=O)c1)C(=O)N TS41250 [0,2,0,0,0,0|2,0,0]=4 3504 B11R1.74 c1c([nH]c(=O)[nH]c1=O)C(=O)O TS34403 [0,2,0,0,0,0|2,0,0]=4 3505 B11R1.74 c1c(cc(cc1Br)Br)C(=O)N TS54196 [0,2,0,0,0,0|1,0,0]=3 3506 B11R1.74 c1c(cc(cc1Br)Br)C(=O)O TS02575 [0,2,0,0,0,0|0,0,0]=2 3507 B11R1.74 c1c(cc(cc1Br)I)C(=O)O TS09339 [0,2,0,0,0,0|0,0,0]=2 3508 B11R1.74 c1c(cc(cc1Cl)Br)C(=O)O TS32930 [0,2,0,0,0,0|0,0,0]=2 3509 B11R1.74 c1c(cc(cc1Cl)Cl)C(=N)N TS24063 [0,2,0,0,0,0|2,0,0]=4 3510 B11R1.74 c1c(cc(cc1Cl)Cl)C(=O)Cl TS20795 [0,2,0,0,0,0|1,0,0]=3 3511 B11R1.74 c1c(cc(cc1Cl)Cl)C(=O)N TS16277 [0,2,0,0,0,0|1,0,0]=3 3512 B11R1.74 c1c(cc(cc1Cl)Cl)C(=O)O TS00127 [0,2,0,0,0,0|0,0,0]=2 3513 B11R1.74 c1c(cc(cc1Cl)Cl)C(=S)N TS20104 [0,2,0,0,0,0|1,1,0]=4 3514 B11R1.74 c1c(cc(cc1Cl)Cl)N(=O)=O TS65279 [0,2,0,0,0,0|1,0,1]=4 3515 B11R1.74 c1c(cc(cc1Cl)I)C(=O)O TS09359 [0,2,0,0,0,0|0,0,0]=2 3516 B11R1.74 c1c(cc(cc1F)Br)C(=O)Cl TS26100 [0,2,0,0,0,0|1,0,0]=3 3517 B11R1.74 c1c(cc(cc1F)Br)C(=O)O TS65928 [0,2,0,0,0,0|0,0,0]=2 3518 B11R1.74 c1c(cc(cc1F)Br)[N+](=O)[O-] TS65084 [0,2,0,0,0,0|1,0,1]=4 3519 B11R1.74 c1c(cc(cc1F)Cl)C(=O)O TS09353 [0,2,0,0,0,0|0,0,0]=2 3520 B11R1.74 c1c(cc(cc1F)F)C(=N)N TS17573 [0,2,0,0,0,0|2,0,0]=4 3521 B11R1.74 c1c(cc(cc1F)F)C(=O)Cl TS13936 [0,2,0,0,0,0|1,0,0]=3 3522 B11R1.74 c1c(cc(cc1F)F)C(=O)N TS41743 [0,2,0,0,0,0|1,0,0]=3 3523 B11R1.74 c1c(cc(cc1F)F)C(=O)O TS65800 [0,2,0,0,0,0|0,0,0]=2 3524 B11R1.74 c1c(cc(cc1F)F)C(=O)[O-] TS14507 [0,2,0,0,0,0|0,0,1]=3 3525 B11R1.74 c1c(cc(cc1F)F)N(=O)=O TS02362 [0,2,0,0,0,0|1,0,1]=4 3526 B11R1.74 c1c(cc(cc1F)I)C(=O)O TS07838 [0,2,0,0,0,0|0,0,0]=2 3527 B11R1.74 c1c(cc(cc1F)I)[N+](=O)[O-] TS00441 [0,2,0,0,0,0|1,0,1]=4 3528 B11R1.74 c1c(cc(cc1I)I)C(=O)O TS02365 [0,2,0,0,0,0|0,0,0]=2 3529 B11R1.74 c1c(cc(cc1N)Cl)C(=O)O TS22769 [0,2,0,0,0,0|0,0,0]=2 3530 B11R1.74 c1c(cc(cc1N)F)C(=O)N TS02210 [0,2,0,0,0,0|1,0,0]=3 3531 B11R1.74 c1c(cc(cc1N)N(=O)=O)N TS10303 [0,2,0,0,0,0|1,0,1]=4 3532 B11R1.74 c1c(cc(cc1N)N)C(=O)O TS00125 [0,2,0,0,0,0|0,0,0]=2 3533 B11R1.74 c1c(cc(cc1N)N)C(=O)O TS23945 [0,2,0,0,0,0|0,0,0]=2 3534 B11R1.74 c1c(cc(cc1O)Cl)C(=O)O TS13254 [0,2,0,0,0,0|0,0,0]=2 3535 B11R1.74 c1c(cc(cc1O)O)C(=O)N TS10292 [0,2,0,0,0,0|1,0,0]=3 3536 B11R1.74 c1c(cc(cc1O)O)C(=O)O TS16724 [0,2,0,0,0,0|0,0,0]=2 3537 B11R1.74 c1c(cc(cc1[N+](=O)[O-])F)N TS03315 [0,2,0,0,0,0|1,0,1]=4 3538 B11R1.74 c1c(cc(nc1Br)Br)C(=O)O TS00696 [0,2,0,0,0,0|1,0,0]=3 3539 B11R1.74 c1c(cc(nc1Cl)Cl)C(=O)Cl TS43888 [0,2,0,0,0,0|2,0,0]=4 3540 B11R1.74 c1c(cc(nc1Cl)Cl)C(=O)O TS47303 [0,2,0,0,0,0|1,0,0]=3 3541 B11R1.74 c1c(cc(nc1F)F)C(=O)O TS11096 [0,2,0,0,0,0|1,0,0]=3 3542 B11R1.74 c1c(cc(nc1O)Cl)C(=O)N TS13262 [0,2,0,0,0,0|2,0,0]=4 3543 B11R1.74 c1c(cc(nc1O)O)C(=O)O TS10558 [0,2,0,0,0,0|1,0,0]=3 3544 B11R1.266 B(=O)c1cccc(c1)C(=O)Cl TS43152 [0,2,0,0,0,0|1,0,0]=3 3545 B11R1.266 B(c1cccc(c1)C#C)(O)O TS88297 [0,2,0,0,0,0|1,0,1]=4 3546 B11R1.266 B(c1cccc(c1)C#N)(O)O TS94677 [0,2,0,0,0,0|1,0,1]=4 3547 B11R1.266 B(c1cccc(c1)C=C)(O)O TS07401 [0,2,0,0,0,0|1,0,1]=4 3548 B11R1.266 B(c1cccc(c1)CBr)(O)O TS65953 [0,2,0,0,0,0|1,0,1]=4 3549 B11R1.266 B(c1cccc(c1)CC)(O)O TS70560 [0,2,0,0,0,0|1,0,1]=4 3550 B11R1.266 B(c1cccc(c1)CN)(O)O TS08017 [0,2,0,0,0,0|1,0,1]=4 3551 B11R1.266 B(c1cccc(c1)CO)(O)O TS65707 [0,2,0,0,0,0|1,0,1]=4 3552 B11R1.266 B(c1cccc(c1)OC)(O)O TS02824 [0,2,0,0,0,0|1,0,1]=4 3553 B11R1.266 B(c1cccc(c1)SC)(O)O TS65712 [0,2,0,0,0,0|1,0,1]=4 3554 B11R1.266 C#Cc1cccc(c1)C(=O)O TS70561 [0,2,0,0,0,0|0,0,0]=2 3555 B11R1.266 C#Cc1cccc(c1)[N+](=O)[O-] TS02869 [0,2,0,0,0,0|1,0,1]=4 3556 B11R1.266 C=Cc1cccc(c1)C(=O)O TS07411 [0,2,0,0,0,0|0,0,0]=2 3557 B11R1.266 C=Cc1cccc(c1)[N+](=O)[O-] TS40728 [0,2,0,0,0,0|1,0,1]=4 3558 B11R1.266 CC(=O)c1cccc(c1)C#C TS40169 [0,2,0,0,0,0|1,0,0]=3 3559 B11R1.266 CC(=O)c1cccc(c1)C#N TS65829 [0,2,0,0,0,0|1,0,0]=3 3560 B11R1.266 CC(=O)c1cccc(c1)CCl TS12614 [0,2,0,0,0,0|1,0,0]=3 3561 B11R1.266 CC(=O)c1cccc(c1)OC TS02817 [0,2,0,0,0,0|1,0,0]=3 3562 B11R1.266 CC(=O)c1cccc(n1)C=O TS40719 [0,2,0,0,0,0|2,0,0]=4 3563 B11R1.266 CC(=O)c1cccc(n1)OC TS08252 [0,2,0,0,0,0|2,0,0]=4 3564 B11R1.266 CC(c1cccc(c1)OC)O TS41146 [0,2,0,0,0,0|1,0,1]=4 3565 B11R1.266 CCc1cccc(c1)C(=O)C TS07747 [0,2,0,0,0,0|1,0,0]=3 3566 B11R1.266 CCc1cccc(c1)C(=O)O TS09865 [0,2,0,0,0,0|0,0,0]=2 3567 B11R1.266 CCc1cccc(c1)C(=S)N TS12084 [0,2,0,0,0,0|1,1,0]=4 3568 B11R1.266 CCc1cccc(c1)[N+](=O)[O-] TS41018 [0,2,0,0,0,0|1,0,1]=4 3569 B11R1.266 CCc1ccnc(c1)C(=O)O TS15879 [0,2,0,0,0,0|1,0,0]=3 3570 B11R1.266 CNc1cccc(c1)C(=O)O TS41001 [0,2,0,0,0,0|0,0,0]=2 3571 B11R1.266 CNc1cncc(n1)C(=O)O TS01188 [0,2,0,0,0,0|2,0,0]=4 3572 B11R1.266 COc1cc(ccn1)C(=O)N TS41124 [0,2,0,0,0,0|2,0,0]=4 3573 B11R1.266 COc1cc(ccn1)C(=O)O TS01107 [0,2,0,0,0,0|1,0,0]=3 3574 B11R1.266 COc1cc(cnc1)C(=O)N TS10158 [0,2,0,0,0,0|2,0,0]=4 3575 B11R1.266 COc1cc(cnc1)C(=O)O TS41247 [0,2,0,0,0,0|1,0,0]=3 3576 B11R1.266 COc1cccc(c1)C(=N)N TS02820 [0,2,0,0,0,0|2,0,0]=4 3577 B11R1.266 COc1cccc(c1)C(=O)Cl TS12911 [0,2,0,0,0,0|1,0,0]=3 3578 B11R1.266 COc1cccc(c1)C(=O)N TS10027 [0,2,0,0,0,0|1,0,0]=3 3579 B11R1.266 COc1cccc(c1)C(=O)O TS10134 [0,2,0,0,0,0|0,0,0]=2 3580 B11R1.266 COc1cccc(c1)C(=S)N TS12416 [0,2,0,0,0,0|1,1,0]=4 3581 B11R1.266 COc1cccc(c1)[N+](=O)[O-] TS41249 [0,2,0,0,0,0|1,0,1]=4 3582 B11R1.266 COc1cccc(n1)C(=O)N TS41105 [0,2,0,0,0,0|2,0,0]=4 3583 B11R1.266 COc1cccc(n1)C(=O)O TS55620 [0,2,0,0,0,0|1,0,0]=3 3584 B11R1.266 COc1ccnc(c1)C(=O)N TS41108 [0,2,0,0,0,0|2,0,0]=4 3585 B11R1.266 COc1ccnc(c1)C(=O)O TS03161 [0,2,0,0,0,0|1,0,0]=3 3586 B11R1.266 COc1ccnc(c1)C(=O)O TS50978 [0,2,0,0,0,0|1,0,0]=3 3587 B11R1.266 CSc1cccc(c1)C(=O)O TS65713 [0,2,0,0,0,0|0,0,0]=2 3588 B11R1.266 CSc1cccc(c1)[N+](=O)[O-] TS45013 [0,2,0,0,0,0|1,0,1]=4 3589 B11R1.266 CSc1nccc(n1)C(=O)O TS02455 [0,2,0,0,0,0|2,0,0]=4 3590 B11R1.266 [C-]#[N+]c1cccc(c1)[N+](=O)[O-] TS40600 [0,2,0,0,0,0|1,0,1]=4 3591 B11R1.266 c1c(cncc1C(=O)O)C#N TS32655 [0,2,0,0,0,0|1,0,0]=3 3592 B11R1.266 c1cc(cc(c1)C(=N)N)C=O TS02777 [0,2,0,0,0,0|2,0,0]=4 3593 B11R1.266 c1cc(cc(c1)C(=N)N)CN TS50062 [0,2,0,0,0,0|2,0,0]=4 3594 B11R1.266 c1cc(cc(c1)C(=O)Cl)C#N TS66019 [0,2,0,0,0,0|1,0,0]=3 3595 B11R1.266 c1cc(cc(c1)C(=O)Cl)CCl TS09440 [0,2,0,0,0,0|1,0,0]=3 3596 B11R1.266 c1cc(cc(c1)C(=O)N)C#N TS07199 [0,2,0,0,0,0|1,0,0]=3 3597 B11R1.266 c1cc(cc(c1)C(=O)N)CCl TS02187 [0,2,0,0,0,0|1,0,0]=3 3598 B11R1.266 c1cc(cc(c1)C(=O)O)C#N TS01790 [0,2,0,0,0,0|0,0,0]=2 3599 B11R1.266 c1cc(cc(c1)C(=O)O)C=O TS02778 [0,2,0,0,0,0|0,0,0]=2 3600 B11R1.266 c1cc(cc(c1)C(=O)O)CBr TS09436 [0,2,0,0,0,0|0,0,0]=2 3601 B11R1.266 c1cc(cc(c1)C(=O)O)CCl TS09439 [0,2,0,0,0,0|0,0,0]=2 3602 B11R1.266 c1cc(cc(c1)C(=O)O)CN TS02659 [0,2,0,0,0,0|0,0,0]=2 3603 B11R1.266 c1cc(cc(c1)C(=O)O)CN TS02660 [0,2,0,0,0,0|0,0,0]=2 3604 B11R1.266 c1cc(cc(c1)C(=O)O)CO TS65706 [0,2,0,0,0,0|0,0,0]=2 3605 B11R1.266 c1cc(cc(c1)N=O)C(=O)N TS40819 [0,2,0,0,0,0|1,0,0]=3 3606 B11R1.266 c1cc(cc(c1)NN)C(=O)O TS10146 [0,2,0,0,0,0|0,0,0]=2 3607 B11R1.266 c1cc(cc(c1)[N+](=O)[O-])C#N TS39722 [0,2,0,0,0,0|1,0,1]=4 3608 B11R1.266 c1cc(cc(c1)[N+](=O)[O-])C=O TS39720 [0,2,0,0,0,0|1,0,1]=4 3609 B11R1.266 c1cc(cc(c1)[N+](=O)[O-])CBr TS07759 [0,2,0,0,0,0|1,0,1]=4 3610 B11R1.266 c1cc(cc(c1)[N+](=O)[O-])CCl TS60026 [0,2,0,0,0,0|1,0,1]=4 3611 B11R1.266 c1cc(cc(c1)[N+](=O)[O-])CN TS41109 [0,2,0,0,0,0|1,0,1]=4 3612 B11R1.266 c1cc(cc(c1)[N+](=O)[O-])CN TS50824 [0,2,0,0,0,0|1,0,1]=4 3613 B11R1.266 c1cc(cc(c1)[N+](=O)[O-])NN TS50983 [0,2,0,0,0,0|1,0,1]=4 3614 B11R1.266 c1cc(nc(c1)C(=O)O)CN TS41110 [0,2,0,0,0,0|1,0,0]=3 3615 B11R1.266 c1cnc(cc1C(=O)O)C#N TS40597 [0,2,0,0,0,0|1,0,0]=3 3616 B11R1.266 c1cnc(cc1C(=O)O)NN TS88062 [0,2,0,0,0,0|1,0,0]=3 3617 B11R1.266 c1cnc(cc1CO)C(=O)N TS41119 [0,2,0,0,0,0|2,0,0]=4 3618 B9R1.13 c1c[nH]cc1CC(=O)O TS05070 [0,0,1,1,0,0|1,0,1]=4 3619 B9R1.13 c1cc([nH]c1)CC(=O)O TS94888 [0,0,1,1,0,0|1,0,1]=4 3620 B9R1.13 c1cc(oc1)CC(=O)O TS56166 [0,0,1,1,0,0|1,0,1]=4 3621 B9R1.13 c1cc(sc1)CC(=O)O TS65656 [0,0,1,1,0,0|1,0,1]=4 3622 B9R1.13 c1cscc1CC(=O)O TS00281 [0,0,1,1,0,0|1,0,1]=4 3623 B9R1.5 c1ccc(c(=O)cc1)O TS32491 [0,0,1,1,0,0|2,0,0]=4 3624 B9R2.50 c1ccc2c(c1)CC2 TS04044 [1,0,0,1,0,0|1,0,1]=4 3625 B11R2.4 C[C@@H]1[C@H](O1)c2ccccc2 TS05905 [0,0,0,1,0,1|1,0,1]=4 3626 B11R2.4 C[C@H]1[C@@H](O1)c2ccccc2 TS36853 [0,0,0,1,0,1|1,0,1]=4 3627 B11R2.10 B1(Oc2ccccc2O1)Br TS18749 [0,0,0,1,0,1|2,0,0]=4 3628 B11R2.10 B1(Oc2ccccc2O1)Cl TS10519 [0,0,0,1,0,1|2,0,0]=4 3629 B11R2.10 CC1=Cc2ccccc2C1 TS36518 [0,0,0,1,0,1|2,0,0]=4 3630 B11R2.10 CC1Cc2ccccc2O1 TS36849 [0,0,0,1,0,1|1,0,1]=4 3631 B11R2.10 Cc1[nH]c2ccccc2n1 TS01130 [0,0,0,1,0,1|2,0,0]=4 3632 B11R2.10 Cc1cc2ccccc2[nH]1 TS65605 [0,0,0,1,0,1|2,0,0]=4 3633 B11R2.10 Cc1cc2ccccc2o1 TS01131 [0,0,0,1,0,1|1,0,0]=3 3634 B11R2.10 Cc1cc2ccccc2s1 TS07494 [0,0,0,1,0,1|1,1,0]=4 3635 B11R2.10 Cc1nc2ccccc2[se]1 TS53597 [0,0,0,1,0,1|1,1,0]=4 3636 B11R2.10 Cc1nc2ccccc2o1 TS36749 [0,0,0,1,0,1|1,0,0]=3 3637 B11R2.10 Cc1nc2ccccc2s1 TS01132 [0,0,0,1,0,1|1,1,0]=4 3638 B11R2.10 c1cc2c([nH]c(=O)[nH]2)nc1 TS46947 [0,0,0,1,0,1|2,0,0]=4 3639 B11R2.10 c1cc2c([nH]c(=O)o2)nc1 TS01627 [0,0,0,1,0,1|1,0,0]=3 3640 B11R2.10 c1cc2c(nc1)CC(=O)N2 TS90280 [0,0,0,1,0,1|2,0,0]=4 3641 B11R2.10 c1cc2c(nc1)NC(=O)C2 TS46802 [0,0,0,1,0,1|2,0,0]=4 3642 B11R2.10 c1cc2c(nc1)nc(o2)S TS10170 [0,0,0,1,0,1|1,1,0]=4 3643 B11R2.10 c1cc[n+]2c(c1)oc(=O)s2 TS16246 [0,0,0,1,0,1|1,0,0]=3 3644 B11R2.10 c1ccc2c(c1)CC(=C2)Br TS51952 [0,0,0,1,0,1|2,0,0]=4 3645 B11R2.10 c1ccc2c(c1)CC(=O)C2 TS55409 [0,0,0,1,0,1|1,0,0]=3 3646 B11R2.10 c1ccc2c(c1)CC(=O)O2 TS36798 [0,0,0,1,0,1|0,0,0]=2 3647 B11R2.10 c1ccc2c(c1)CC(=S)N2 TS07593 [0,0,0,1,0,1|1,1,0]=4 3648 B11R2.10 c1ccc2c(c1)CC(C2)O TS55408 [0,0,0,1,0,1|1,0,1]=4 3649 B11R2.10 c1ccc2c(c1)OP(O2)Cl TS45854 [0,0,0,1,0,1|2,0,0]=4 3650 B11R2.10 c1ccc2c(c1)[nH]c(=O)o2 TS59941 [0,0,0,1,0,1|0,0,0]=2 3651 B11R2.10 c1ccc2c(c1)[nH]c(n2)Br TS55154 [0,0,0,1,0,1|2,0,0]=4 3652 B11R2.10 c1ccc2c(c1)[nH]c(n2)Cl TS10252 [0,0,0,1,0,1|2,0,0]=4 3653 B11R2.10 c1ccc2c(c1)[nH]c(n2)I TS61935 [0,0,0,1,0,1|2,0,0]=4 3654 B11R2.10 c1ccc2c(c1)[nH]c(n2)N TS36756 [0,0,0,1,0,1|2,0,0]=4 3655 B11R2.10 c1ccc2c(c1)[nH]c(n2)O TS55397 [0,0,0,1,0,1|1,0,0]=3 3656 B11R2.10 c1ccc2c(c1)[nH]c(n2)S TS07963 [0,0,0,1,0,1|1,1,0]=4 3657 B11R2.10 c1ccc2c(c1)cc([nH]2)Br TS18166 [0,0,0,1,0,1|2,0,0]=4 3658 B11R2.10 c1ccc2c(c1)cc([nH]2)Cl TS41070 [0,0,0,1,0,1|2,0,0]=4 3659 B11R2.10 c1ccc2c(c1)cc([nH]2)N TS12624 [0,0,0,1,0,1|2,0,0]=4 3660 B11R2.10 c1ccc2c(c1)cc(o2)Br TS08818 [0,0,0,1,0,1|1,0,0]=3 3661 B11R2.10 c1ccc2c(c1)nc([se]2)S TS44462 [0,0,0,1,0,1|0,2,0]=4 3662 B11R2.10 c1ccc2c(c1)nc(o2)Cl TS10355 [0,0,0,1,0,1|1,0,0]=3 3663 B11R2.10 c1ccc2c(c1)nc(o2)N TS00367 [0,0,0,1,0,1|1,0,0]=3 3664 B11R2.10 c1ccc2c(c1)nc(o2)S TS81065 [0,0,0,1,0,1|0,1,0]=3 3665 B11R2.10 c1ccc2c(c1)nc(s2)Br TS00846 [0,0,0,1,0,1|1,1,0]=4 3666 B11R2.10 c1ccc2c(c1)nc(s2)Cl TS07939 [0,0,0,1,0,1|1,1,0]=4 3667 B11R2.10 c1ccc2c(c1)nc(s2)F TS41271 [0,0,0,1,0,1|1,1,0]=4 3668 B11R2.10 c1ccc2c(c1)nc(s2)N TS47465 [0,0,0,1,0,1|1,1,0]=4 3669 B11R2.10 c1ccc2c(c1)nc(s2)S TS39815 [0,0,0,1,0,1|0,2,0]=4 3670 B11R2.10 c1ccc2c(c1)nc(s2)S TS80959 [0,0,0,1,0,1|0,2,0]=4 3671 B11R2.10 c1ccc2c(c1)oc(=O)o2 TS06040 [0,0,0,1,0,1|0,0,0]=2 3672 B11R2.10 c1cncc2c1CC(=O)N2 TS87911 [0,0,0,1,0,1|2,0,0]=4 3673 B11R2.10 c1cncc2c1NC(=O)C2 TS87415 [0,0,0,1,0,1|2,0,0]=4 3674 B11R2.10 c1cncc2c1[nH]c(=O)[nH]2 TS05978 [0,0,0,1,0,1|2,0,0]=4 3675 B11R2.34 c1cc(ccc1C2CO2)Br TS54150 [0,1,0,1,0,0|1,0,1]=4 3676 B11R2.34 c1cc(ccc1C2CO2)Cl TS10530 [0,1,0,1,0,0|1,0,1]=4 3677 B11R2.34 c1cc(ccc1C2CO2)F TS37172 [0,1,0,1,0,0|1,0,1]=4 3678 B11R2.34 c1cc(ccc1[C@@H]2CO2)Br TS54152 [0,1,0,1,0,0|1,0,1]=4 3679 B11R2.34 c1cc(ccc1[C@@H]2CO2)Cl TS41460 [0,1,0,1,0,0|1,0,1]=4 3680 B11R2.34 c1cc(ccc1[C@H]2CO2)Br TS54153 [0,1,0,1,0,0|1,0,1]=4 3681 B11R2.1 Cc1c2ccccc2[nH]n1 TS70652 [0,1,0,1,0,0|2,0,0]=4 3682 B11R2.1 Cc1c2ccccc2[nH]n1 TS91059 [0,1,0,1,0,0|2,0,0]=4 3683 B11R2.1 Cc1c2ccccc2on1 TS36752 [0,1,0,1,0,0|1,0,0]=3 3684 B11R2.1 Cc1c[nH]c2c1cccc2 TS02848 [0,1,0,1,0,0|2,0,0]=4 3685 B11R2.1 Cc1coc2c1cccc2 TS36667 [0,1,0,1,0,0|1,0,0]=3 3686 B11R2.1 Cc1csc2c1cccc2 TS07495 [0,1,0,1,0,0|1,1,0]=4 3687 B11R2.1 c1cc2c(c(no2)N)nc1 TS88315 [0,1,0,1,0,0|2,0,0]=4 3688 B11R2.1 c1cc2c(nc1)C(=O)CC2 TS71343 [0,1,0,1,0,0|2,0,0]=4 3689 B11R2.1 c1cc2c(nc1)CCC2=O TS01198 [0,1,0,1,0,0|2,0,0]=4 3690 B11R2.1 c1cc2c(nc1)COC2=O TS05972 [0,1,0,1,0,0|1,0,0]=3 3691 B11R2.1 c1cc2c(noc2nc1)N TS05975 [0,1,0,1,0,0|2,0,0]=4 3692 B11R2.1 c1ccc2c(c1)C(=O)CO2 TS05876 [0,1,0,1,0,0|0,0,0]=2 3693 B11R2.1 c1ccc2c(c1)C(CO2)N TS05988 [0,1,0,1,0,0|1,0,1]=4 3694 B11R2.1 c1ccc2c(c1)C(CO2)N TS45384 [0,1,0,1,0,0|1,0,1]=4 3695 B11R2.1 c1ccc2c(c1)CC=C2Br TS51953 [0,1,0,1,0,0|2,0,0]=4 3696 B11R2.1 c1ccc2c(c1)CCC2=O TS46969 [0,1,0,1,0,0|1,0,0]=3 3697 B11R2.1 c1ccc2c(c1)CCC2O TS36840 [0,1,0,1,0,0|1,0,1]=4 3698 B11R2.1 c1ccc2c(c1)CC[C@@H]2O TS36843 [0,1,0,1,0,0|1,0,1]=4 3699 B11R2.1 c1ccc2c(c1)CC[C@H]2O TS36850 [0,1,0,1,0,0|1,0,1]=4 3700 B11R2.1 c1ccc2c(c1)CN=C2N TS12625 [0,1,0,1,0,0|2,0,0]=4 3701 B11R2.1 c1ccc2c(c1)COC2=O TS36800 [0,1,0,1,0,0|0,0,0]=2 3702 B11R2.1 c1ccc2c(c1)COC2=O TS94299 [0,1,0,1,0,0|0,0,0]=2 3703 B11R2.1 c1ccc2c(c1)c(=O)[nH]s2 TS93611 [0,1,0,1,0,0|0,1,0]=3 3704 B11R2.1 c1ccc2c(c1)c(=O)ss2 TS12573 [0,1,0,1,0,0|0,1,0]=3 3705 B11R2.1 c1ccc2c(c1)c(c[nH]2)Br TS65948 [0,1,0,1,0,0|2,0,0]=4 3706 B11R2.1 c1ccc2c(c1)c(c[nH]2)F TS05986 [0,1,0,1,0,0|2,0,0]=4 3707 B11R2.1 c1ccc2c(c1)c(c[nH]2)I TS26960 [0,1,0,1,0,0|2,0,0]=4 3708 B11R2.1 c1ccc2c(c1)c(c[nH]2)O TS70623 [0,1,0,1,0,0|1,0,0]=3 3709 B11R2.1 c1ccc2c(c1)c(co2)Br TS18385 [0,1,0,1,0,0|1,0,0]=3 3710 B11R2.1 c1ccc2c(c1)c(cs2)Br TS65900 [0,1,0,1,0,0|1,1,0]=4 3711 B11R2.1 c1ccc2c(c1)c(cs2)I TS29427 [0,1,0,1,0,0|1,1,0]=4 3712 B11R2.1 c1ccc2c(c1)c(cs2)O TS70621 [0,1,0,1,0,0|0,1,0]=3 3713 B11R2.1 c1ccc2c(c1)c(n[nH]2)Br TS65947 [0,1,0,1,0,0|2,0,0]=4 3714 B11R2.1 c1ccc2c(c1)c(n[nH]2)Cl TS09510 [0,1,0,1,0,0|2,0,0]=4 3715 B11R2.1 c1ccc2c(c1)c(n[nH]2)I TS02806 [0,1,0,1,0,0|2,0,0]=4 3716 B11R2.1 c1ccc2c(c1)c(n[nH]2)N TS46951 [0,1,0,1,0,0|2,0,0]=4 3717 B11R2.1 c1ccc2c(c1)c(n[nH]2)O TS05879 [0,1,0,1,0,0|1,0,0]=3 3718 B11R2.1 c1ccc2c(c1)c(no2)Cl TS09509 [0,1,0,1,0,0|1,0,0]=3 3719 B11R2.1 c1ccc2c(c1)c(no2)N TS46773 [0,1,0,1,0,0|1,0,0]=3 3720 B11R2.1 c1ccc2c(c1)c(no2)O TS01879 [0,1,0,1,0,0|0,0,1]=3 3721 B11R2.1 c1ccc2c(c1)c(ns2)Cl TS12734 [0,1,0,1,0,0|1,1,0]=4 3722 B11R2.1 c1ccc2c(c1)c(ns2)N TS46772 [0,1,0,1,0,0|1,1,0]=4 3723 B11R2.1 c1ccc2c(c1)ccs2=O TS40887 [0,1,0,1,0,0|2,0,0]=4 3724 B11R2.1 c1ccc2c(c1)nnn2O TS00446 [0,1,0,1,0,0|2,0,0]=4 3725 B11R2.1 c1ccc2c(c1)nnn2O TS05979 [0,1,0,1,0,0|2,0,0]=4 3726 B11R2.1 c1ccc2c(c1)nnn2O TS93163 [0,1,0,1,0,0|2,0,0]=4 3727 B11R2.1 c1ccc2c(c1)non2=O TS06044 [0,1,0,1,0,0|1,0,0]=3 3728 B11R2.1 c1ccn2c(c1)n[nH]c2=O TS16379 [0,1,0,1,0,0|2,0,0]=4 3729 B11R2.1 c1cncc2c1CNC2=O TS91296 [0,1,0,1,0,0|2,0,0]=4 3730 B11R2.1 c1cncc2c1COC2=O TS05973 [0,1,0,1,0,0|1,0,0]=3 3731 B11R2.40 CC1(CO1)c2ccccc2 TS36836 [0,1,0,1,0,0|1,0,1]=4 3732 B11R2.988 c1ccc2c(c1)C=C2C#N TS05463 [0,1,0,1,0,0|2,0,0]=4 3733 B11R2.988 c1ccc2c(c1)CC2CO TS36669 [0,1,0,1,0,0|1,0,1]=4 3734 B11R2.35 c1cc(cc(c1)Cl)[C@H]2CO2 TS41458 [0,1,0,1,0,0|1,0,1]=4 3735 B7R1.1 c1c(cn[nH]1)C=O TS00454 [1,0,0,0,1,0|2,0,0]=4 3736 B7R1.1 c1c(con1)C=O TS03745 [1,0,0,0,1,0|2,0,0]=4 3737 B7R1.1 c1c(nc[nH]1)C=O TS01483 [1,0,0,0,1,0|2,0,0]=4 3738 B7R1.1 c1c(nco1)C=O TS71269 [1,0,0,0,1,0|2,0,0]=4 3739 B7R1.1 c1c(ncs1)C=O TS01721 [1,0,0,0,1,0|2,0,0]=4 3740 B7R1.1 c1c(ocn1)C=O TS01172 [1,0,0,0,1,0|2,0,0]=4 3741 B7R1.1 c1c(scn1)C=O TS55509 [1,0,0,0,1,0|2,0,0]=4 3742 B7R1.1 c1c[nH]cc1C=O TS00457 [1,0,0,0,1,0|1,0,0]=3 3743 B7R1.1 c1c[nH]nc1C=O TS59363 [1,0,0,0,1,0|2,0,0]=4 3744 B7R1.1 c1cc([nH]c1)C=O TS01672 [1,0,0,0,1,0|1,0,0]=3 3745 B7R1.1 c1cc(oc1)C=O TS03712 [1,0,0,0,1,0|1,0,0]=3 3746 B7R1.1 c1cc(oc1)CO TS03766 [1,0,0,0,1,0|1,0,1]=4 3747 B7R1.1 c1cc(sc1)C=O TS65660 [1,0,0,0,1,0|1,0,0]=3 3748 B7R1.1 c1cc(sc1)CO TS32088 [1,0,0,0,1,0|1,0,1]=4 3749 B7R1.1 c1cc[c-](c1)C=O TS21602 [1,0,0,0,1,0|0,0,1]=3 3750 B7R1.1 c1cn(cn1)C=O TS03714 [1,0,0,0,1,0|2,0,0]=4 3751 B7R1.1 c1cn[nH]c1C=O TS85315 [1,0,0,0,1,0|2,0,0]=4 3752 B7R1.1 c1cnc([nH]1)C=O TS77140 [1,0,0,0,1,0|2,0,0]=4 3753 B7R1.1 c1cnoc1C=O TS03746 [1,0,0,0,1,0|2,0,0]=4 3754 B7R1.1 c1cnsc1C=O TS04385 [1,0,0,0,1,0|2,0,0]=4 3755 B7R1.1 c1coc(n1)C=O TS09404 [1,0,0,0,1,0|2,0,0]=4 3756 B7R1.1 c1cocc1C=O TS02781 [1,0,0,0,1,0|1,0,0]=3 3757 B7R1.1 c1cocc1CO TS02782 [1,0,0,0,1,0|1,0,1]=4 3758 B7R1.1 c1conc1C=O TS56203 [1,0,0,0,1,0|2,0,0]=4 3759 B7R1.1 c1csc(n1)C=O TS19605 [1,0,0,0,1,0|2,0,0]=4 3760 B7R1.1 c1csc(n1)C=O TS65653 [1,0,0,0,1,0|2,0,0]=4 3761 B7R1.1 c1cscc1C=O TS70719 [1,0,0,0,1,0|1,0,0]=3 3762 B7R1.1 c1cscc1CO TS70716 [1,0,0,0,1,0|1,0,1]=4 3763 B11R1.91 B(C=Cc1ccccc1)(O)O TS07400 [0,0,0,0,0,2|1,0,1]=4 3764 B11R1.91 B(CCc1ccccc1)(O)O TS01640 [0,0,0,0,0,2|1,0,1]=4 3765 B11R1.91 B(O)(O)O[Hg]c1ccccc1 TS78404 [0,0,0,0,0,2|1,0,1]=4 3766 B11R1.91 CC(=C)COc1ccccc1 TS07455 [0,0,0,0,0,2|2,0,0]=4 3767 B11R1.91 CC(=C)CSc1ccccc1 TS42809 [0,0,0,0,0,2|2,0,0]=4 3768 B11R1.91 CC(=C)OCc1ccccc1 TS40657 [0,0,0,0,0,2|2,0,0]=4 3769 B11R1.91 CC(=NNc1ccccc1)C TS40667 [0,0,0,0,0,2|2,0,0]=4 3770 B11R1.91 CC(=O)C#Cc1ccccc1 TS39336 [0,0,0,0,0,2|1,0,0]=3 3771 B11R1.91 CC(=O)C=Cc1ccccc1 TS07221 [0,0,0,0,0,2|1,0,0]=3 3772 B11R1.91 CC(=O)C=Cc1ccccc1 TS93157 [0,0,0,0,0,2|1,0,0]=3 3773 B11R1.91 CC(=O)CCc1ccccc1 TS40645 [0,0,0,0,0,2|1,0,0]=3 3774 B11R1.91 CC(=O)COc1ccccc1 TS40853 [0,0,0,0,0,2|1,0,0]=3 3775 B11R1.91 CC(=O)CSc1ccccc1 TS12279 [0,0,0,0,0,2|1,0,0]=3 3776 B11R1.91 CC(=O)NCc1ccccc1 TS07571 [0,0,0,0,0,2|1,0,0]=3 3777 B11R1.91 CC(=O)NCc1cccnc1 TS40869 [0,0,0,0,0,2|2,0,0]=4 3778 B11R1.91 CC(=O)NNc1ccccc1 TS09877 [0,0,0,0,0,2|1,0,0]=3 3779 B11R1.91 CC(=O)OCc1ccccc1 TS09872 [0,0,0,0,0,2|1,0,0]=3 3780 B11R1.91 CC(=O)OCc1ccccn1 TS41002 [0,0,0,0,0,2|2,0,0]=4 3781 B11R1.91 CC(=O)OCc1ccncc1 TS40990 [0,0,0,0,0,2|2,0,0]=4 3782 B11R1.91 CC(=O)O[Hg]c1ccccc1 TS64055 [0,0,0,0,0,2|1,0,0]=3 3783 B11R1.91 CC(=O)O[Hg]c1ccccn1 TS78341 [0,0,0,0,0,2|2,0,0]=4 3784 B11R1.91 CC(=O)SSc1ccccc1 TS74797 [0,0,0,0,0,2|1,0,0]=3 3785 B11R1.91 CC(C#Cc1ccccc1)O TS07215 [0,0,0,0,0,2|1,0,1]=4 3786 B11R1.91 CC(CCc1ccccc1)O TS09764 [0,0,0,0,0,2|1,0,1]=4 3787 B11R1.91 c1cc(cnc1)C=CC(=O)O TS40727 [0,0,0,0,0,2|1,0,0]=3 3788 B11R1.91 c1cc(cnc1)CCC(=O)O TS09416 [0,0,0,0,0,2|1,0,0]=3 3789 B11R1.91 c1ccc(cc1)C#CC(=O)O TS07173 [0,0,0,0,0,2|0,0,0]=2 3790 B11R1.91 c1ccc(cc1)C=CC(=O)Cl TS12314 [0,0,0,0,0,2|1,0,0]=3 3791 B11R1.91 c1ccc(cc1)C=CC(=O)N TS55818 [0,0,0,0,0,2|1,0,0]=3 3792 B11R1.91 c1ccc(cc1)C=CC(=O)O TS07414 [0,0,0,0,0,2|0,0,0]=2 3793 B11R1.91 c1ccc(cc1)C=CC(=O)[O-] TS45091 [0,0,0,0,0,2|0,0,1]=3 3794 B11R1.91 c1ccc(cc1)C=CC(=O)[O-] TS48924 [0,0,0,0,0,2|0,0,1]=3 3795 B11R1.91 c1ccc(cc1)C=C[N+](=O)[O-] TS40725 [0,0,0,0,0,2|1,0,1]=4 3796 B11R1.91 c1ccc(cc1)CCC(=O)Cl TS02876 [0,0,0,0,0,2|1,0,0]=3 3797 B11R1.91 c1ccc(cc1)CCC(=O)N TS40758 [0,0,0,0,0,2|1,0,0]=3 3798 B11R1.91 c1ccc(cc1)CCC(=O)O TS33063 [0,0,0,0,0,2|0,0,0]=2 3799 B11R1.91 c1ccc(cc1)CCN(=O)=O TS10013 [0,0,0,0,0,2|1,0,1]=4 3800 B11R1.91 c1ccc(cc1)CNC(=N)N TS80918 [0,0,0,0,0,2|2,0,0]=4 3801 B11R1.91 c1ccc(cc1)CNC(=O)N TS40871 [0,0,0,0,0,2|1,0,0]=3 3802 B11R1.91 c1ccc(cc1)CNC(=S)N TS12281 [0,0,0,0,0,2|1,1,0]=4 3803 B11R1.91 c1ccc(cc1)COC(=O)Cl TS01383 [0,0,0,0,0,2|1,0,0]=3 3804 B11R1.91 c1ccc(cc1)COC(=O)N TS01381 [0,0,0,0,0,2|1,0,0]=3 3805 B11R1.91 c1ccc(cc1)CSC(=N)N TS19496 [0,0,0,0,0,2|2,0,0]=4 3806 B11R1.91 c1ccc(cc1)NCC(=O)O TS10023 [0,0,0,0,0,2|0,0,0]=2 3807 B11R1.91 c1ccc(cc1)NCC(=O)[O-] TS50941 [0,0,0,0,0,2|0,0,1]=3 3808 B11R1.91 c1ccc(cc1)NNC(=O)N TS41021 [0,0,0,0,0,2|1,0,0]=3 3809 B11R1.91 c1ccc(cc1)NNC(=S)N TS12419 [0,0,0,0,0,2|1,1,0]=4 3810 B11R1.91 c1ccc(cc1)OCC(=N)N TS15733 [0,0,0,0,0,2|2,0,0]=4 3811 B11R1.91 c1ccc(cc1)OCC(=O)Cl TS12910 [0,0,0,0,0,2|1,0,0]=3 3812 B11R1.91 c1ccc(cc1)OCC(=O)N TS40989 [0,0,0,0,0,2|1,0,0]=3 3813 B11R1.91 c1ccc(cc1)OCC(=O)O TS10139 [0,0,0,0,0,2|0,0,0]=2 3814 B11R1.91 c1ccc(cc1)OCC(=O)O TS32941 [0,0,0,0,0,2|0,0,0]=2 3815 B11R1.91 c1ccc(cc1)OCC(=O)[O-] TS13444 [0,0,0,0,0,2|0,0,1]=3 3816 B11R1.91 c1ccc(cc1)OCC(=O)[O-] TS51409 [0,0,0,0,0,2|0,0,1]=3 3817 B11R1.91 c1ccc(cc1)OCC(=O)[O-] TS63445 [0,0,0,0,0,2|0,0,1]=3 3818 B11R1.91 c1ccc(cc1)OCC(=S)N TS12410 [0,0,0,0,0,2|1,1,0]=4 3819 B11R1.91 c1ccc(cc1)SCC(=N)N TS19495 [0,0,0,0,0,2|2,0,0]=4 3820 B11R1.91 c1ccc(cc1)SCC(=S)N TS15170 [0,0,0,0,0,2|1,1,0]=4 3821 B11R1.91 c1ccnc(c1)C=CC(=O)O TS07541 [0,0,0,0,0,2|1,0,0]=3 3822 B11R1.91 c1ccnc(c1)CCC(=O)O TS40994 [0,0,0,0,0,2|1,0,0]=3 3823 B11R1.91 c1cnc(nc1)SCC(=O)O TS45124 [0,0,0,0,0,2|2,0,0]=4 3824 B11R1.91 c1cnccc1C=CC(=O)O TS65059 [0,0,0,0,0,2|1,0,0]=3 3825 B11R1.91 c1cnccc1SCC(=O)Cl TS23781 [0,0,0,0,0,2|2,0,0]=4 3826 B11R1.91 c1cnccc1SCC(=O)O TS46555 [0,0,0,0,0,2|1,0,0]=3