0 B10R1.15 C#CC(c1ccccc1)O TS36663 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.15 C=C(CO)c1ccncc1 TS36912 [0,0,0,0,0,0|2,0,2]=4 2 B10R1.15 C=CC(c1ccccc1)Cl TS41223 [0,0,0,0,0,0|2,0,1]=3 3 B10R1.15 C=CC(c1ccccc1)O TS36829 [0,0,0,0,0,0|2,0,1]=3 4 B10R1.15 C=CS(=O)c1ccccc1 TS41168 [0,0,0,0,0,0|3,0,1]=4 5 B10R1.15 C=C[C@@H](c1ccccc1)O TS36848 [0,0,0,0,0,0|2,0,1]=3 6 B10R1.15 C=C[C@H](c1ccccc1)O TS36828 [0,0,0,0,0,0|2,0,1]=3 7 B10R1.15 CC(=NN)c1ccccc1 TS05912 [0,0,0,0,0,0|1,0,1]=2 8 B10R1.15 CC(=NO)c1ccccc1 TS36930 [0,0,0,0,0,0|2,0,1]=3 9 B10R1.15 CC(=NO)c1cccnc1 TS06046 [0,0,0,0,0,0|3,0,1]=4 10 B10R1.15 CC(=NO)c1ccncc1 TS06055 [0,0,0,0,0,0|3,0,1]=4 11 B10R1.15 CC(CBr)c1ccccc1 TS54166 [0,0,0,0,0,0|1,0,0]=1 12 B10R1.15 CC(CN)c1ccccc1 TS36949 [0,0,0,0,0,0|0,0,0]=0 13 B10R1.15 CC(CO)c1ccccc1 TS06093 [0,0,0,0,0,0|1,0,0]=1 14 B10R1.15 CC(c1ccccc1)[N+]#[C-] TS05667 [0,0,0,0,0,0|2,0,0]=2 15 B10R1.15 CC=C(C)c1ccccc1 TS36697 [0,0,0,0,0,0|1,0,2]=3 16 B10R1.15 CCC(=C)c1ccccc1 TS36703 [0,0,0,0,0,0|1,0,2]=3 17 B10R1.15 CCC(=O)c1ccccc1 TS00059 [0,0,0,0,0,0|2,0,1]=3 18 B10R1.15 CCC(=O)c1ccccn1 TS36934 [0,0,0,0,0,0|3,0,1]=4 19 B10R1.15 CCC(=O)c1cccnc1 TS36927 [0,0,0,0,0,0|3,0,1]=4 20 B10R1.15 CCC(=O)c1ccncc1 TS36919 [0,0,0,0,0,0|3,0,1]=4 21 B10R1.15 CCC(C)c1ccccc1 TS36864 [0,0,0,0,0,0|1,0,0]=1 22 B10R1.15 CCC(C)c1cnccn1 TS37025 [0,0,0,0,0,0|3,0,0]=3 23 B10R1.15 CCC(c1ccccc1)N TS36947 [0,0,0,0,0,0|2,0,0]=2 24 B10R1.15 CCC(c1ccccc1)O TS37007 [0,0,0,0,0,0|2,0,0]=2 25 B10R1.15 CCC(c1ccncc1)N TS06101 [0,0,0,0,0,0|3,0,0]=3 26 B10R1.15 CCC(c1cnccn1)N TS90912 [0,0,0,0,0,0|4,0,0]=4 27 B10R1.15 CCN(C)c1ccccc1 TS36948 [0,0,0,0,0,0|2,0,0]=2 28 B10R1.15 CCN(c1ccccc1)N TS06110 [0,0,0,0,0,0|3,0,0]=3 29 B10R1.15 CC[C@H](c1ccccc1)N TS46586 [0,0,0,0,0,0|2,0,0]=2 30 B10R1.15 CC[C@H](c1ccccc1)O TS00311 [0,0,0,0,0,0|2,0,0]=2 31 B10R1.15 CN(C=O)c1ccccc1 TS36925 [0,0,0,0,0,0|2,0,1]=3 32 B10R1.15 CN(C=O)c1ccccn1 TS06069 [0,0,0,0,0,0|3,0,1]=4 33 B10R1.15 CN(c1ccccc1)N=O TS06063 [0,0,0,0,0,0|3,0,0]=3 34 B10R1.15 CNC(=O)c1ccccc1 TS01597 [0,0,0,0,0,0|3,0,1]=4 35 B10R1.15 COC(=N)c1ccccc1 TS45386 [0,0,0,0,0,0|3,0,1]=4 36 B10R1.15 COC(=O)c1ccccc1 TS00163 [0,0,0,0,0,0|3,0,1]=4 37 B10R1.15 COS(=O)c1ccccc1 TS10693 [0,0,0,0,0,0|4,0,0]=4 38 B10R1.15 C[C@@H](CN)c1ccccc1 TS08913 [0,0,0,0,0,0|0,0,0]=0 39 B10R1.15 C[C@@H](CO)c1ccccc1 TS37012 [0,0,0,0,0,0|1,0,0]=1 40 B10R1.15 C[C@@H](c1ccccc1)NC TS36939 [0,0,0,0,0,0|2,0,0]=2 41 B10R1.15 C[C@@H](c1ccccc1)NO TS37112 [0,0,0,0,0,0|2,0,0]=2 42 B10R1.15 C[C@H](CN)c1ccccc1 TS08921 [0,0,0,0,0,0|0,0,0]=0 43 B10R1.15 C[C@H](CO)c1ccccc1 TS37011 [0,0,0,0,0,0|1,0,0]=1 44 B10R1.15 C[C@H](C[NH-])c1ccccc1 TS40751 [0,0,0,0,0,0|0,0,1]=1 45 B10R1.15 C[C@H](c1ccccc1)NC TS39981 [0,0,0,0,0,0|2,0,0]=2 46 B10R1.15 C[C@H](c1ccccc1)NO TS06188 [0,0,0,0,0,0|2,0,0]=2 47 B10R1.15 C[C@H](c1ccccc1)[N+]#[C-] TS05668 [0,0,0,0,0,0|2,0,0]=2 48 B10R1.15 c1cc(cnc1)C(=O)CBr TS09434 [0,0,0,0,0,0|3,0,1]=4 49 B10R1.15 c1cc(cnc1)C(=O)CCl TS94820 [0,0,0,0,0,0|3,0,1]=4 50 B10R1.15 c1cc(cnc1)C(=O)NN TS56400 [0,0,0,0,0,0|3,0,1]=4 51 B10R1.15 c1cc(cnc1)C(CN)O TS37204 [0,0,0,0,0,0|2,0,0]=2 52 B10R1.15 c1cc(cnc1)[C@H](CCl)O TS10916 [0,0,0,0,0,0|3,0,0]=3 53 B10R1.15 c1ccc(cc1)C(=CBr)Br TS29726 [0,0,0,0,0,0|2,0,2]=4 54 B10R1.15 c1ccc(cc1)C(=NN)Cl TS41464 [0,0,0,0,0,0|2,0,1]=3 55 B10R1.15 c1ccc(cc1)C(=NO)Cl TS10615 [0,0,0,0,0,0|3,0,1]=4 56 B10R1.15 c1ccc(cc1)C(=O)C#N TS05650 [0,0,0,0,0,0|1,0,3]=4 57 B10R1.15 c1ccc(cc1)C(=O)C=O TS36799 [0,0,0,0,0,0|2,0,2]=4 58 B10R1.15 c1ccc(cc1)C(=O)CBr TS55148 [0,0,0,0,0,0|2,0,1]=3 59 B10R1.15 c1ccc(cc1)C(=O)CCl TS10529 [0,0,0,0,0,0|2,0,1]=3 60 B10R1.15 c1ccc(cc1)C(=O)CN TS47462 [0,0,0,0,0,0|1,0,1]=2 61 B10R1.15 c1ccc(cc1)C(=O)CO TS55394 [0,0,0,0,0,0|2,0,1]=3 62 B10R1.15 c1ccc(cc1)C(=O)NN TS55745 [0,0,0,0,0,0|2,0,1]=3 63 B10R1.15 c1ccc(cc1)C(=O)NO TS37093 [0,0,0,0,0,0|3,0,1]=4 64 B10R1.15 c1ccc(cc1)C(=O)N[O-] TS11100 [0,0,0,0,0,0|3,0,1]=4 65 B10R1.15 c1ccc(cc1)C(=O)N[O-] TS13711 [0,0,0,0,0,0|3,0,1]=4 66 B10R1.15 c1ccc(cc1)C(C#N)Br TS18169 [0,0,0,0,0,0|1,0,2]=3 67 B10R1.15 c1ccc(cc1)C(C#N)N TS22755 [0,0,0,0,0,0|1,0,2]=3 68 B10R1.15 c1ccc(cc1)C(CBr)Br TS29982 [0,0,0,0,0,0|2,0,0]=2 69 B10R1.15 c1ccc(cc1)C(CBr)O TS08926 [0,0,0,0,0,0|2,0,0]=2 70 B10R1.15 c1ccc(cc1)C(CN)Cl TS41559 [0,0,0,0,0,0|1,0,0]=1 71 B10R1.15 c1ccc(cc1)C(CN)N TS37030 [0,0,0,0,0,0|1,0,0]=1 72 B10R1.15 c1ccc(cc1)C(CN)O TS45701 [0,0,0,0,0,0|1,0,0]=1 73 B10R1.15 c1ccc(cc1)C(CN)O TS93680 [0,0,0,0,0,0|1,0,0]=1 74 B10R1.15 c1ccc(cc1)C(CO)N TS37105 [0,0,0,0,0,0|2,0,0]=2 75 B10R1.15 c1ccc(cc1)C(CO)O TS06242 [0,0,0,0,0,0|2,0,0]=2 76 B10R1.15 c1ccc(cc1)N(N=O)[O-] TS10566 [0,0,0,0,0,0|4,0,0]=4 77 B10R1.15 c1ccc(cc1)N(N=O)[O-] TS70284 [0,0,0,0,0,0|4,0,0]=4 78 B10R1.15 c1ccc(cc1)S(=O)CCl TS45878 [0,0,0,0,0,0|3,0,0]=3 79 B10R1.15 c1ccc(cc1)[C@@H](CCl)O TS10799 [0,0,0,0,0,0|2,0,0]=2 80 B10R1.15 c1ccc(cc1)[C@@H](CN)O TS64977 [0,0,0,0,0,0|1,0,0]=1 81 B10R1.15 c1ccc(cc1)[C@@H](CO)N TS06187 [0,0,0,0,0,0|2,0,0]=2 82 B10R1.15 c1ccc(cc1)[C@@H](CO)O TS08646 [0,0,0,0,0,0|2,0,0]=2 83 B10R1.15 c1ccc(cc1)[C@H](C#N)O TS36753 [0,0,0,0,0,0|1,0,2]=3 84 B10R1.15 c1ccc(cc1)[C@H](CCl)O TS41718 [0,0,0,0,0,0|2,0,0]=2 85 B10R1.15 c1ccc(cc1)[C@H](CN)O TS08918 [0,0,0,0,0,0|1,0,0]=1 86 B10R1.15 c1ccc(cc1)[C@H](CO)N TS00302 [0,0,0,0,0,0|2,0,0]=2 87 B10R1.15 c1ccc(cc1)[C@H](CO)O TS59488 [0,0,0,0,0,0|2,0,0]=2 88 B10R1.15 c1ccnc(c1)C(=O)CBr TS18939 [0,0,0,0,0,0|3,0,1]=4 89 B10R1.15 c1ccnc(c1)C(=O)CBr TS55077 [0,0,0,0,0,0|3,0,1]=4 90 B10R1.15 c1ccnc(c1)C(=O)NN TS06175 [0,0,0,0,0,0|3,0,1]=4 91 B10R1.15 c1cnccc1C(=O)CBr TS16896 [0,0,0,0,0,0|3,0,1]=4 92 B10R1.15 c1cnccc1C(=O)NN TS06172 [0,0,0,0,0,0|3,0,1]=4 93 B10R1.15 c1cnccc1C(CN)O TS43948 [0,0,0,0,0,0|2,0,0]=2 94 B9R1.6 B(c1ccccc1)(Cl)Cl TS42008 [1,0,0,0,0,0|3,0,0]=4 95 B9R1.6 B(c1ccccc1)(O)O TS59339 [1,0,0,0,0,0|3,0,0]=4 96 B9R1.6 C=C(c1ccccc1)Br TS48375 [1,0,0,0,0,0|1,0,2]=4 97 B9R1.6 C=C(c1ccccc1)[Zn+] TS08929 [1,0,0,0,0,0|1,0,2]=4 98 B9R1.6 CC(=C)c1ccccc1 TS32349 [1,0,0,0,0,0|0,0,2]=3 99 B9R1.6 CC(=O)c1ccccc1 TS32455 [1,0,0,0,0,0|1,0,1]=3 100 B9R1.6 CC(=O)c1ccccc1 TS32456 [1,0,0,0,0,0|1,0,1]=3 101 B9R1.6 CC(=O)c1ccccc1 TS38236 [1,0,0,0,0,0|1,0,1]=3 102 B9R1.6 CC(=O)c1ccccc1 TS55713 [1,0,0,0,0,0|1,0,1]=3 103 B9R1.6 CC(=O)c1ccccn1 TS04861 [1,0,0,0,0,0|2,0,1]=4 104 B9R1.6 CC(=O)c1cccnc1 TS65831 [1,0,0,0,0,0|2,0,1]=4 105 B9R1.6 CC(=O)c1ccncc1 TS02952 [1,0,0,0,0,0|2,0,1]=4 106 B9R1.6 CC(C)c1ccccn1 TS32479 [1,0,0,0,0,0|1,0,0]=2 107 B9R1.6 CC(C)c1ccccn1 TS49188 [1,0,0,0,0,0|1,0,0]=2 108 B9R1.6 CC(C)c1ccncc1 TS09132 [1,0,0,0,0,0|1,0,0]=2 109 B9R1.6 CC(C)c1cnccn1 TS04911 [1,0,0,0,0,0|2,0,0]=3 110 B9R1.6 CC(c1ccccc1)Cl TS37453 [1,0,0,0,0,0|1,0,0]=2 111 B9R1.6 CC(c1ccccc1)N TS55879 [1,0,0,0,0,0|0,0,0]=1 112 B9R1.6 CC(c1ccccc1)O TS04908 [1,0,0,0,0,0|1,0,0]=2 113 B9R1.6 CC(c1ccccn1)N TS47025 [1,0,0,0,0,0|1,0,0]=2 114 B9R1.6 CC(c1ccccn1)N TS59503 [1,0,0,0,0,0|1,0,0]=2 115 B9R1.6 CC(c1ccccn1)O TS08930 [1,0,0,0,0,0|2,0,0]=3 116 B9R1.6 CC(c1cccnc1)N TS59573 [1,0,0,0,0,0|1,0,0]=2 117 B9R1.6 CC(c1ccncc1)N TS51965 [1,0,0,0,0,0|1,0,0]=2 118 B9R1.6 CC(c1ccncc1)N TS59574 [1,0,0,0,0,0|1,0,0]=2 119 B9R1.6 CC(c1ccncn1)N TS91641 [1,0,0,0,0,0|2,0,0]=3 120 B9R1.6 CC(c1ccnnc1)N TS88664 [1,0,0,0,0,0|2,0,0]=3 121 B9R1.6 CC(c1cnccn1)N TS86731 [1,0,0,0,0,0|2,0,0]=3 122 B9R1.6 CC(c1cncnc1)N TS88597 [1,0,0,0,0,0|2,0,0]=3 123 B9R1.6 CN(C)c1cc[nH+]cc1 TS29274 [1,0,0,0,0,0|2,0,0]=3 124 B9R1.6 CN(C)c1ccccc1 TS56353 [1,0,0,0,0,0|1,0,0]=2 125 B9R1.6 CN(C)c1ccccn1 TS04916 [1,0,0,0,0,0|2,0,0]=3 126 B9R1.6 CN(C)c1cccnc1 TS32521 [1,0,0,0,0,0|2,0,0]=3 127 B9R1.6 CN(C)c1ccncc1 TS71094 [1,0,0,0,0,0|2,0,0]=3 128 B9R1.6 CN(C)c1ccncc1 TS79663 [1,0,0,0,0,0|2,0,0]=3 129 B9R1.6 CN(C)c1ccncc1 TS93097 [1,0,0,0,0,0|2,0,0]=3 130 B9R1.6 CN(c1ccccc1)N TS46980 [1,0,0,0,0,0|1,0,0]=2 131 B9R1.6 CP(C)c1ccccc1 TS37178 [1,0,0,0,0,0|1,0,0]=2 132 B9R1.6 CP(C)c1ccccc1 TS75399 [1,0,0,0,0,0|1,0,0]=2 133 B9R1.6 C[C@@H](c1ccccc1)N TS93610 [1,0,0,0,0,0|0,0,0]=1 134 B9R1.6 C[C@@H](c1ccccc1)O TS04904 [1,0,0,0,0,0|1,0,0]=2 135 B9R1.6 C[C@@H](c1ccccn1)O TS04971 [1,0,0,0,0,0|2,0,0]=3 136 B9R1.6 C[C@@H](c1cccnc1)O TS04970 [1,0,0,0,0,0|2,0,0]=3 137 B9R1.6 C[C@@H](c1ccncc1)O TS32559 [1,0,0,0,0,0|2,0,0]=3 138 B9R1.6 C[C@@H](c1cncnc1)N TS86849 [1,0,0,0,0,0|2,0,0]=3 139 B9R1.6 C[C@H](c1ccccc1)N TS00310 [1,0,0,0,0,0|0,0,0]=1 140 B9R1.6 C[C@H](c1ccccc1)N TS29339 [1,0,0,0,0,0|0,0,0]=1 141 B9R1.6 C[C@H](c1ccccc1)O TS04906 [1,0,0,0,0,0|1,0,0]=2 142 B9R1.6 C[C@H](c1ccccn1)O TS04976 [1,0,0,0,0,0|2,0,0]=3 143 B9R1.6 C[C@H](c1cccnc1)O TS04956 [1,0,0,0,0,0|2,0,0]=3 144 B9R1.6 C[C@H](c1ccncc1)O TS39982 [1,0,0,0,0,0|2,0,0]=3 145 B9R1.6 C[C@H](c1cncnc1)N TS90168 [1,0,0,0,0,0|2,0,0]=3 146 B9R1.6 C[SiH](C)c1ccccc1 TS37063 [1,0,0,0,0,0|0,1,0]=2 147 B9R1.6 c1c[nH+]ccc1C(=N)N TS02953 [1,0,0,0,0,0|2,0,1]=4 148 B9R1.6 c1cc(cnc1)C(=O)N TS32591 [1,0,0,0,0,0|2,0,1]=4 149 B9R1.6 c1cc(cnc1)C(=O)N TS62787 [1,0,0,0,0,0|2,0,1]=4 150 B9R1.6 c1cc(cnc1)C(=O)N TS65239 [1,0,0,0,0,0|2,0,1]=4 151 B9R1.6 c1cc(cnc1)C(=S)N TS00280 [1,0,0,0,0,0|2,0,1]=4 152 B9R1.6 c1ccc(cc1)C(=N)N TS04816 [1,0,0,0,0,0|1,0,1]=3 153 B9R1.6 c1ccc(cc1)C(=N)N TS13608 [1,0,0,0,0,0|1,0,1]=3 154 B9R1.6 c1ccc(cc1)C(=N)N TS55741 [1,0,0,0,0,0|1,0,1]=3 155 B9R1.6 c1ccc(cc1)C(=O)Br TS15413 [1,0,0,0,0,0|2,0,1]=4 156 B9R1.6 c1ccc(cc1)C(=O)Cl TS37445 [1,0,0,0,0,0|2,0,1]=4 157 B9R1.6 c1ccc(cc1)C(=O)F TS32590 [1,0,0,0,0,0|2,0,1]=4 158 B9R1.6 c1ccc(cc1)C(=O)N TS04862 [1,0,0,0,0,0|1,0,1]=3 159 B9R1.6 c1ccc(cc1)C(=O)O TS20747 [1,0,0,0,0,0|2,0,1]=4 160 B9R1.6 c1ccc(cc1)C(=O)O TS21872 [1,0,0,0,0,0|2,0,1]=4 161 B9R1.6 c1ccc(cc1)C(=O)O TS32552 [1,0,0,0,0,0|2,0,1]=4 162 B9R1.6 c1ccc(cc1)C(=O)O TS46282 [1,0,0,0,0,0|2,0,1]=4 163 B9R1.6 c1ccc(cc1)C(=O)O TS93416 [1,0,0,0,0,0|2,0,1]=4 164 B9R1.6 c1ccc(cc1)C(=O)[O-] TS05306 [1,0,0,0,0,0|2,0,1]=4 165 B9R1.6 c1ccc(cc1)C(=O)[O-] TS06916 [1,0,0,0,0,0|2,0,1]=4 166 B9R1.6 c1ccc(cc1)C(=O)[O-] TS30348 [1,0,0,0,0,0|2,0,1]=4 167 B9R1.6 c1ccc(cc1)C(=O)[O-] TS42179 [1,0,0,0,0,0|2,0,1]=4 168 B9R1.6 c1ccc(cc1)C(=O)[O-] TS52761 [1,0,0,0,0,0|2,0,1]=4 169 B9R1.6 c1ccc(cc1)C(=S)N TS01727 [1,0,0,0,0,0|1,0,1]=3 170 B9R1.6 c1ccc(cc1)C(=S)O TS06290 [1,0,0,0,0,0|2,0,1]=4 171 B9R1.6 c1ccc(cc1)C(Br)Br TS27976 [1,0,0,0,0,0|2,0,0]=3 172 B9R1.6 c1ccc(cc1)C(F)Cl TS40273 [1,0,0,0,0,0|2,0,0]=3 173 B9R1.6 c1ccc(cc1)I(=O)=O TS25817 [1,0,0,0,0,0|3,0,0]=4 174 B9R1.6 c1ccc(cc1)I(Cl)Cl TS07874 [1,0,0,0,0,0|3,0,0]=4 175 B9R1.6 c1ccc(cc1)P(=O)O TS59341 [1,0,0,0,0,0|3,0,0]=4 176 B9R1.6 c1ccc(cc1)P(=O)[O-] TS42670 [1,0,0,0,0,0|3,0,0]=4 177 B9R1.6 c1ccc(cc1)P(Cl)Cl TS14332 [1,0,0,0,0,0|3,0,0]=4 178 B9R1.6 c1ccc(cc1)S(=O)[O-] TS11824 [1,0,0,0,0,0|3,0,0]=4 179 B9R1.6 c1ccc(cc1)S(=O)[O-] TS37866 [1,0,0,0,0,0|3,0,0]=4 180 B9R1.6 c1ccc(cc1)S(=O)[O-] TS78880 [1,0,0,0,0,0|3,0,0]=4 181 B9R1.6 c1ccc(cc1)[N+](=O)[O-] TS32550 [1,0,0,0,0,0|3,0,0]=4 182 B9R1.6 c1ccc(cc1)[SiH](Cl)Cl TS46224 [1,0,0,0,0,0|2,1,0]=4 183 B9R1.6 c1ccnc(c1)C(=N)N TS10924 [1,0,0,0,0,0|2,0,1]=4 184 B9R1.6 c1ccnc(c1)C(=O)N TS32493 [1,0,0,0,0,0|2,0,1]=4 185 B9R1.6 c1ccnc(c1)C(=S)N TS06297 [1,0,0,0,0,0|2,0,1]=4 186 B9R1.6 c1cnccc1C(=N)N TS01862 [1,0,0,0,0,0|2,0,1]=4 187 B9R1.6 c1cnccc1C(=O)N TS74511 [1,0,0,0,0,0|2,0,1]=4 188 B9R1.6 c1cnccc1C(=S)N TS06294 [1,0,0,0,0,0|2,0,1]=4 189 B9R1.8 C#CCc1ccccc1 TS32230 [1,0,0,0,0,0|1,0,1]=3 190 B9R1.8 C=CC[n+]1ccccc1 TS37844 [1,0,0,0,0,0|2,0,1]=4 191 B9R1.8 C=CCc1ccccc1 TS32347 [1,0,0,0,0,0|1,0,1]=3 192 B9R1.8 C=CSc1ccccc1 TS06113 [1,0,0,0,0,0|2,0,1]=4 193 B9R1.8 CC#Cc1ccccc1 TS04599 [1,0,0,0,0,0|1,0,2]=4 194 B9R1.8 CC=Cc1ccccc1 TS32346 [1,0,0,0,0,0|1,0,2]=4 195 B9R1.8 CCC[n+]1ccccc1 TS38202 [1,0,0,0,0,0|2,0,0]=3 196 B9R1.8 CCCc1ccccc1 TS04832 [1,0,0,0,0,0|1,0,0]=2 197 B9R1.8 CCCc1ccccn1 TS85359 [1,0,0,0,0,0|2,0,0]=3 198 B9R1.8 CCCc1cnccn1 TS59984 [1,0,0,0,0,0|3,0,0]=4 199 B9R1.8 CCNc1ccccc1 TS04869 [1,0,0,0,0,0|2,0,0]=3 200 B9R1.8 CCOc1ccccc1 TS04896 [1,0,0,0,0,0|2,0,0]=3 201 B9R1.8 CCOc1ccccn1 TS55309 [1,0,0,0,0,0|3,0,0]=4 202 B9R1.8 CCOc1ccncc1 TS04974 [1,0,0,0,0,0|3,0,0]=4 203 B9R1.8 CCSc1ccccc1 TS06299 [1,0,0,0,0,0|2,0,0]=3 204 B9R1.8 CNCc1ccccc1 TS01938 [1,0,0,0,0,0|2,0,0]=3 205 B9R1.8 CNCc1ccccn1 TS51966 [1,0,0,0,0,0|3,0,0]=4 206 B9R1.8 CNCc1cccnc1 TS02609 [1,0,0,0,0,0|3,0,0]=4 207 B9R1.8 CNCc1ccncc1 TS65238 [1,0,0,0,0,0|3,0,0]=4 208 B9R1.8 CNNc1ccccc1 TS85406 [1,0,0,0,0,0|3,0,0]=4 209 B9R1.8 COCc1ccccc1 TS04897 [1,0,0,0,0,0|2,0,0]=3 210 B9R1.8 COCc1ccccn1 TS00518 [1,0,0,0,0,0|3,0,0]=4 211 B9R1.8 CSCc1ccccc1 TS06309 [1,0,0,0,0,0|2,0,0]=3 212 B9R1.8 CSSc1ccccc1 TS41708 [1,0,0,0,0,0|3,0,0]=4 213 B9R1.8 [C-]#[N+]Cc1ccccc1 TS04681 [1,0,0,0,0,0|2,0,0]=3 214 B9R1.8 [Li]C#Cc1ccccc1 TS04133 [1,0,0,0,0,0|1,0,2]=4 215 B9R1.8 c1c(cncn1)CNN TS87915 [1,0,0,0,0,0|3,0,0]=4 216 B9R1.8 c1cc(cnc1)CC#N TS04724 [1,0,0,0,0,0|1,0,2]=4 217 B9R1.8 c1cc(cnc1)CCN TS41995 [1,0,0,0,0,0|1,0,0]=2 218 B9R1.8 c1cc(cnc1)CCN TS65667 [1,0,0,0,0,0|1,0,0]=2 219 B9R1.8 c1cc(cnc1)CCO TS39614 [1,0,0,0,0,0|2,0,0]=3 220 B9R1.8 c1cc(cnc1)CNN TS87066 [1,0,0,0,0,0|2,0,0]=3 221 B9R1.8 c1cc(nnc1)CNN TS92328 [1,0,0,0,0,0|3,0,0]=4 222 B9R1.8 c1cc[n+](cc1)CC#N TS41465 [1,0,0,0,0,0|1,0,2]=4 223 B9R1.8 c1ccc(cc1)C#CBr TS48021 [1,0,0,0,0,0|1,0,2]=4 224 B9R1.8 c1ccc(cc1)C=CBr TS48378 [1,0,0,0,0,0|1,0,2]=4 225 B9R1.8 c1ccc(cc1)C=CCl TS37253 [1,0,0,0,0,0|1,0,2]=4 226 B9R1.8 c1ccc(cc1)C=CN TS55760 [1,0,0,0,0,0|0,0,2]=3 227 B9R1.8 c1ccc(cc1)C=N#N TS04720 [1,0,0,0,0,0|1,0,2]=4 228 B9R1.8 c1ccc(cc1)C=NN TS04817 [1,0,0,0,0,0|1,0,1]=3 229 B9R1.8 c1ccc(cc1)CC#N TS04678 [1,0,0,0,0,0|0,0,2]=3 230 B9R1.8 c1ccc(cc1)CCBr TS15419 [1,0,0,0,0,0|1,0,0]=2 231 B9R1.8 c1ccc(cc1)CCCl TS37454 [1,0,0,0,0,0|1,0,0]=2 232 B9R1.8 c1ccc(cc1)CCI TS25156 [1,0,0,0,0,0|1,0,0]=2 233 B9R1.8 c1ccc(cc1)CCN TS22602 [1,0,0,0,0,0|0,0,0]=1 234 B9R1.8 c1ccc(cc1)CCN TS65627 [1,0,0,0,0,0|0,0,0]=1 235 B9R1.8 c1ccc(cc1)CCO TS04901 [1,0,0,0,0,0|1,0,0]=2 236 B9R1.8 c1ccc(cc1)CCS TS06307 [1,0,0,0,0,0|1,0,0]=2 237 B9R1.8 c1ccc(cc1)CC[Zn+] TS62914 [1,0,0,0,0,0|1,0,0]=2 238 B9R1.8 c1ccc(cc1)CNN TS09177 [1,0,0,0,0,0|1,0,0]=2 239 B9R1.8 c1ccc(cc1)CNN TS21284 [1,0,0,0,0,0|1,0,0]=2 240 B9R1.8 c1ccc(cc1)CNO TS01934 [1,0,0,0,0,0|2,0,0]=3 241 B9R1.8 c1ccc(cc1)CNO TS93618 [1,0,0,0,0,0|2,0,0]=3 242 B9R1.8 c1ccc(cc1)C[Mg]Br TS52066 [1,0,0,0,0,0|2,0,0]=3 243 B9R1.8 c1ccc(cc1)C[Mg]Cl TS40953 [1,0,0,0,0,0|2,0,0]=3 244 B9R1.8 c1ccc(cc1)N=C=O TS32396 [1,0,0,0,0,0|2,0,1]=4 245 B9R1.8 c1ccc(cc1)N=C=S TS06000 [1,0,0,0,0,0|2,0,1]=4 246 B9R1.8 c1ccc(cc1)N=[N+]=[N-] TS04781 [1,0,0,0,0,0|2,0,1]=4 247 B9R1.8 c1ccc(cc1)NC=O TS04863 [1,0,0,0,0,0|2,0,1]=4 248 B9R1.8 c1ccc(cc1)OC#N TS32392 [1,0,0,0,0,0|1,0,2]=4 249 B9R1.8 c1ccc(cc1)OC=O TS32488 [1,0,0,0,0,0|2,0,1]=4 250 B9R1.8 c1ccc(cc1)SCCl TS42004 [1,0,0,0,0,0|2,0,0]=3 251 B9R1.8 c1ccc(cc1)[Se]C#N TS48175 [1,0,0,0,0,0|1,0,2]=4 252 B9R1.8 c1ccc(cc1)[SiH2]CCl TS10803 [1,0,0,0,0,0|1,1,0]=3 253 B9R1.8 c1ccnc(c1)CC#N TS04723 [1,0,0,0,0,0|1,0,2]=4 254 B9R1.8 c1ccnc(c1)CCCl TS37532 [1,0,0,0,0,0|2,0,0]=3 255 B9R1.8 c1ccnc(c1)CCN TS04914 [1,0,0,0,0,0|1,0,0]=2 256 B9R1.8 c1ccnc(c1)CCN TS17997 [1,0,0,0,0,0|1,0,0]=2 257 B9R1.8 c1ccnc(c1)CCO TS04967 [1,0,0,0,0,0|2,0,0]=3 258 B9R1.8 c1ccnc(c1)CNN TS87756 [1,0,0,0,0,0|2,0,0]=3 259 B9R1.8 c1cnc(cn1)CCN TS32564 [1,0,0,0,0,0|2,0,0]=3 260 B9R1.8 c1cnc(cn1)CCS TS37406 [1,0,0,0,0,0|3,0,0]=4 261 B9R1.8 c1cnc(cn1)CNN TS88060 [1,0,0,0,0,0|3,0,0]=4 262 B9R1.8 c1cnc(nc1)CNN TS88342 [1,0,0,0,0,0|3,0,0]=4 263 B9R1.8 c1cnccc1CCN TS09522 [1,0,0,0,0,0|1,0,0]=2 264 B9R1.8 c1cnccc1CCO TS70737 [1,0,0,0,0,0|2,0,0]=3 265 B9R1.8 c1cnccc1CCS TS06395 [1,0,0,0,0,0|2,0,0]=3 266 B9R1.8 c1cnccc1CCS TS46022 [1,0,0,0,0,0|2,0,0]=3 267 B9R1.8 c1cnccc1CNN TS85585 [1,0,0,0,0,0|2,0,0]=3 268 B9R1.8 c1cncnc1CCN TS86707 [1,0,0,0,0,0|2,0,0]=3 269 B9R1.8 c1cnncc1CNN TS91906 [1,0,0,0,0,0|3,0,0]=4 270 B11R1.7 CC(C#C)(c1ccccc1)O TS07226 [0,1,0,0,0,0|1,0,1]=3 271 B11R1.7 CC(C)(C#N)c1ccccc1 TS07124 [0,1,0,0,0,0|0,0,2]=3 272 B11R1.7 CC(C)(C#N)c1ccncc1 TS40436 [0,1,0,0,0,0|1,0,2]=4 273 B11R1.7 CC(C)(CCl)c1ccccc1 TS12631 [0,1,0,0,0,0|1,0,0]=2 274 B11R1.7 CC(CN)(c1ccccc1)O TS10067 [0,1,0,0,0,0|0,0,0]=1 275 B11R1.7 CC(CO)(c1ccccc1)O TS10181 [0,1,0,0,0,0|1,0,0]=2 276 B11R1.7 CCC(C)(C)c1ccccc1 TS07501 [0,1,0,0,0,0|1,0,0]=2 277 B11R1.7 CCC(C)(c1ccccc1)O TS09915 [0,1,0,0,0,0|1,0,0]=2 278 B11R1.7 CCS(=O)(=O)c1ccccc1 TS12825 [0,1,0,0,0,0|3,0,0]=4 279 B11R1.7 CC[Si](c1ccccc1)(Cl)Cl TS19932 [0,1,0,0,0,0|2,1,0]=4 280 B11R1.7 COP(=O)(C)c1ccccc1 TS45092 [0,1,0,0,0,0|3,0,0]=4 281 B11R1.7 C[Si](C)(CCl)c1ccccc1 TS15403 [0,1,0,0,0,0|1,1,0]=3 282 B11R1.7 c1ccc(cc1)C(CBr)(F)F TS23230 [0,1,0,0,0,0|2,0,0]=3 283 B11R1.7 c1ccc(cc1)P(=O)(CO)O TS45409 [0,1,0,0,0,0|3,0,0]=4 284 B11R1.7 c1ccc(cc1)S(=O)(=O)CBr TS56616 [0,1,0,0,0,0|3,0,0]=4 285 B11R1.7 c1ccc(cc1)S(=O)(=O)CCl TS51203 [0,1,0,0,0,0|3,0,0]=4 286 B11R1.7 c1ccc(cc1)S(=O)(=O)CF TS13474 [0,1,0,0,0,0|3,0,0]=4 287 B11R1.7 c1ccc(cc1)S(=O)(=O)NN TS45466 [0,1,0,0,0,0|3,0,0]=4 288 B11R1.7 c1ccnc(c1)C(CN)(F)F TS91188 [0,1,0,0,0,0|2,0,0]=3 289 B11R1.7 c1ccnc(c1)C(CO)(F)F TS90379 [0,1,0,0,0,0|3,0,0]=4 290 B11R1.12 B(CC)(CC)c1cccnc1 TS40488 [0,1,0,0,0,0|3,0,0]=4 291 B11R1.12 CCC(=CC)c1ccccc1 TS40463 [0,1,0,0,0,0|1,0,1]=3 292 B11R1.12 CCC(C#N)c1ccccc1 TS07127 [0,1,0,0,0,0|0,0,2]=3 293 B11R1.12 CCC(C#N)c1ccccn1 TS40446 [0,1,0,0,0,0|1,0,2]=4 294 B11R1.12 CCC(C=C)c1ccccc1 TS40461 [0,1,0,0,0,0|1,0,1]=3 295 B11R1.12 CCC(CC)c1ccccc1 TS07502 [0,1,0,0,0,0|1,0,0]=2 296 B11R1.12 CCC(CC)c1ccccn1 TS40770 [0,1,0,0,0,0|2,0,0]=3 297 B11R1.12 CCC(CC)c1ccncc1 TS07595 [0,1,0,0,0,0|2,0,0]=3 298 B11R1.12 CCN(CC)c1ccccc1 TS07596 [0,1,0,0,0,0|2,0,0]=3 299 B11R1.12 CCN(CC)c1ccccc1 TS11655 [0,1,0,0,0,0|2,0,0]=3 300 B11R1.12 CCN(CC)c1ccccc1 TS15545 [0,1,0,0,0,0|2,0,0]=3 301 B11R1.12 CCN(CC)c1ccccn1 TS09932 [0,1,0,0,0,0|3,0,0]=4 302 B11R1.12 CCN(c1ccccc1)N=O TS09879 [0,1,0,0,0,0|3,0,0]=4 303 B11R1.12 CCP(CC)c1ccccc1 TS43095 [0,1,0,0,0,0|2,0,0]=3 304 B11R1.12 COC(c1ccccc1)OC TS33210 [0,1,0,0,0,0|2,0,0]=3 305 B11R1.12 COP(c1ccccc1)OC TS45093 [0,1,0,0,0,0|3,0,0]=4 306 B11R1.12 CO[C@@H](CO)c1ccccc1 TS41139 [0,1,0,0,0,0|1,0,0]=2 307 B11R1.12 CO[C@H](CO)c1ccccc1 TS10190 [0,1,0,0,0,0|1,0,0]=2 308 B11R1.12 c1ccc(cc1)C(=NO)CBr TS44450 [0,1,0,0,0,0|2,0,1]=4 309 B11R1.12 c1ccc(cc1)C(C#N)C#N TS59556 [0,1,0,0,0,0|0,0,3]=4 310 B11R1.12 c1ccc(cc1)C(CO)CO TS39683 [0,1,0,0,0,0|1,0,0]=2 311 B11R1.12 c1ccnc(c1)C(CO)CO TS41268 [0,1,0,0,0,0|2,0,0]=3 312 B11R1.16 C#CCC(c1ccccc1)O TS07216 [0,1,0,0,0,0|2,0,0]=3 313 B11R1.16 C=CCC(c1ccccc1)O TS07476 [0,1,0,0,0,0|2,0,0]=3 314 B11R1.16 C=CCS(=O)c1ccccc1 TS12278 [0,1,0,0,0,0|3,0,0]=4 315 B11R1.16 CC(=CCO)c1ccccc1 TS07480 [0,1,0,0,0,0|1,0,1]=3 316 B11R1.16 CC(CC=O)c1ccccc1 TS40655 [0,1,0,0,0,0|1,0,0]=2 317 B11R1.16 CC(CCO)c1ccccc1 TS40913 [0,1,0,0,0,0|1,0,0]=2 318 B11R1.16 CC(CNC)c1ccccc1 TS15544 [0,1,0,0,0,0|0,0,0]=1 319 B11R1.16 CC(c1ccccc1)N=C=S TS11739 [0,1,0,0,0,0|1,0,1]=3 320 B11R1.16 CC(c1ccccc1)N=C=S TS42624 [0,1,0,0,0,0|1,0,1]=3 321 B11R1.16 CC(c1ccccc1)NC=O TS40754 [0,1,0,0,0,0|1,0,1]=3 322 B11R1.16 CC(c1cccnc1)NC=O TS09886 [0,1,0,0,0,0|2,0,1]=4 323 B11R1.16 CC(c1ccncc1)NC=O TS40868 [0,1,0,0,0,0|2,0,1]=4 324 B11R1.16 CC=CC(c1ccccc1)O TS07464 [0,1,0,0,0,0|2,0,1]=4 325 B11R1.16 CCC=C(C)c1ccccc1 TS07266 [0,1,0,0,0,0|1,0,1]=3 326 B11R1.16 CCCC(=C)c1ccccc1 TS40460 [0,1,0,0,0,0|1,0,2]=4 327 B11R1.16 CCCC(=O)c1ccccc1 TS40658 [0,1,0,0,0,0|2,0,1]=4 328 B11R1.16 CCCC(C)c1ccccc1 TS40687 [0,1,0,0,0,0|1,0,0]=2 329 B11R1.16 CCCC(c1ccccc1)N TS08991 [0,1,0,0,0,0|2,0,0]=3 330 B11R1.16 CCCC(c1ccccc1)O TS40897 [0,1,0,0,0,0|2,0,0]=3 331 B11R1.16 CCC[C@@H](c1ccccc1)N TS07598 [0,1,0,0,0,0|2,0,0]=3 332 B11R1.16 CCC[C@@H](c1ccccc1)O TS40898 [0,1,0,0,0,0|2,0,0]=3 333 B11R1.16 CCC[C@H](c1ccccc1)N TS07603 [0,1,0,0,0,0|2,0,0]=3 334 B11R1.16 CCC[C@H](c1ccccc1)O TS40914 [0,1,0,0,0,0|2,0,0]=3 335 B11R1.16 CCNC(=O)c1ccccc1 TS07570 [0,1,0,0,0,0|2,0,1]=4 336 B11R1.16 CCOC(=N)c1ccccc1 TS39808 [0,1,0,0,0,0|2,0,1]=4 337 B11R1.16 CCOC(=O)c1ccccc1 TS40849 [0,1,0,0,0,0|2,0,1]=4 338 B11R1.16 CN(CC=C)c1ccccc1 TS40564 [0,1,0,0,0,0|2,0,0]=3 339 B11R1.16 CN(CCO)c1ccccc1 TS41045 [0,1,0,0,0,0|2,0,0]=3 340 B11R1.16 CN(CCO)c1ccccn1 TS41163 [0,1,0,0,0,0|3,0,0]=4 341 B11R1.16 CNCC(=O)c1ccccc1 TS15529 [0,1,0,0,0,0|1,0,1]=3 342 B11R1.16 CNCC(c1ccccc1)O TS41049 [0,1,0,0,0,0|1,0,0]=2 343 B11R1.16 COCC(=O)c1ccccc1 TS09863 [0,1,0,0,0,0|2,0,1]=4 344 B11R1.16 COC[C@@H](c1ccccc1)N TS41043 [0,1,0,0,0,0|2,0,0]=3 345 B11R1.16 COC[C@H](c1ccccc1)N TS10083 [0,1,0,0,0,0|2,0,0]=3 346 B11R1.16 C[C@@H](c1ccccc1)N=C=O TS40526 [0,1,0,0,0,0|1,0,1]=3 347 B11R1.16 C[C@H](c1ccccc1)N=C=O TS40534 [0,1,0,0,0,0|1,0,1]=3 348 B11R1.16 c1ccc(cc1)C(=O)CC#N TS39724 [0,1,0,0,0,0|1,0,2]=4 349 B11R1.16 c1ccc(cc1)C(=O)CCCl TS12618 [0,1,0,0,0,0|2,0,1]=4 350 B11R1.16 c1ccc(cc1)C(=O)NCO TS41014 [0,1,0,0,0,0|2,0,1]=4 351 B11R1.16 c1ccc(cc1)C(=O)OCCl TS12930 [0,1,0,0,0,0|2,0,1]=4 352 B11R1.16 c1ccc(cc1)C(=O)SCO TS44889 [0,1,0,0,0,0|2,0,1]=4 353 B11R1.16 c1ccc(cc1)C(CC#N)O TS07335 [0,1,0,0,0,0|1,0,1]=3 354 B11R1.16 c1ccc(cc1)C(CCN)O TS41050 [0,1,0,0,0,0|1,0,0]=2 355 B11R1.16 c1ccc(cc1)C(CCN)O TS50639 [0,1,0,0,0,0|1,0,0]=2 356 B11R1.16 c1ccc(cc1)C(CCO)N TS65845 [0,1,0,0,0,0|2,0,0]=3 357 B11R1.16 c1ccc(cc1)S(=O)CCCl TS16096 [0,1,0,0,0,0|3,0,0]=4 358 B11R1.16 c1ccc(cc1)[C@@H](CCCl)O TS46584 [0,1,0,0,0,0|2,0,0]=3 359 B11R1.16 c1ccc(cc1)[C@@H](CCN)O TS10084 [0,1,0,0,0,0|1,0,0]=2 360 B11R1.16 c1ccc(cc1)[C@@H](CCO)N TS15881 [0,1,0,0,0,0|2,0,0]=3 361 B11R1.16 c1ccc(cc1)[C@@H](CCO)N TS46603 [0,1,0,0,0,0|2,0,0]=3 362 B11R1.16 c1ccc(cc1)[C@@H](CCO)O TS10187 [0,1,0,0,0,0|2,0,0]=3 363 B11R1.16 c1ccc(cc1)[C@H](CCCl)O TS46624 [0,1,0,0,0,0|2,0,0]=3 364 B11R1.16 c1ccc(cc1)[C@H](CCN)O TS10069 [0,1,0,0,0,0|1,0,0]=2 365 B11R1.16 c1ccc(cc1)[C@H](CCO)N TS46656 [0,1,0,0,0,0|2,0,0]=3 366 B11R1.16 c1ccc(cc1)[C@H](CCO)O TS41135 [0,1,0,0,0,0|2,0,0]=3 367 B11R1.22 CC(=NO)c1ccc(cc1)Cl TS12722 [0,1,0,0,0,0|2,0,1]=4 368 B11R1.22 CC(=NO)c1ccc(cc1)F TS10313 [0,1,0,0,0,0|2,0,1]=4 369 B11R1.22 CC(c1ccc(cc1)Br)[N+]#[C-] TS20831 [0,1,0,0,0,0|2,0,0]=3 370 B11R1.22 CCC(=O)c1ccc(cc1)Br TS21445 [0,1,0,0,0,0|2,0,1]=4 371 B11R1.22 CCC(=O)c1ccc(cc1)C TS03180 [0,1,0,0,0,0|2,0,1]=4 372 B11R1.22 CCC(=O)c1ccc(cc1)Cl TS44952 [0,1,0,0,0,0|2,0,1]=4 373 B11R1.22 CCC(=O)c1ccc(cc1)F TS10167 [0,1,0,0,0,0|2,0,1]=4 374 B11R1.22 CCC(=O)c1ccc(cc1)N TS70916 [0,1,0,0,0,0|2,0,1]=4 375 B11R1.22 CCC(=O)c1ccc(cc1)O TS03135 [0,1,0,0,0,0|2,0,1]=4 376 B11R1.22 CCC(C)c1ccc(cc1)Br TS44299 [0,1,0,0,0,0|1,0,0]=2 377 B11R1.22 CCC(C)c1ccc(cc1)O TS40902 [0,1,0,0,0,0|1,0,0]=2 378 B11R1.22 CCN(c1ccc(cc1)C)N TS09946 [0,1,0,0,0,0|3,0,0]=4 379 B11R1.22 C[C@@H](c1ccc(cc1)F)NC TS10333 [0,1,0,0,0,0|2,0,0]=3 380 B11R1.22 C[C@H](c1ccc(cc1)F)NC TS10331 [0,1,0,0,0,0|2,0,0]=3 381 B11R1.22 Cc1ccc(cc1)C(=O)CBr TS39652 [0,1,0,0,0,0|2,0,1]=4 382 B11R1.22 Cc1ccc(cc1)C(=O)CCl TS12617 [0,1,0,0,0,0|2,0,1]=4 383 B11R1.22 Cc1ccc(cc1)C(=O)CN TS00760 [0,1,0,0,0,0|1,0,1]=3 384 B11R1.22 Cc1ccc(cc1)C(=O)CN TS47411 [0,1,0,0,0,0|1,0,1]=3 385 B11R1.22 Cc1ccc(cc1)C(=O)CO TS40865 [0,1,0,0,0,0|2,0,1]=4 386 B11R1.22 Cc1ccc(cc1)C(=O)NN TS09899 [0,1,0,0,0,0|2,0,1]=4 387 B11R1.22 Cc1ccc(cc1)C(C)C=O TS07460 [0,1,0,0,0,0|1,0,1]=3 388 B11R1.22 Cc1ccc(cc1)[C@H](C#N)O TS40536 [0,1,0,0,0,0|1,0,2]=4 389 B11R1.22 c1cc(ccc1C(=O)CBr)Br TS31287 [0,1,0,0,0,0|2,0,1]=4 390 B11R1.22 c1cc(ccc1C(=O)CBr)F TS00837 [0,1,0,0,0,0|2,0,1]=4 391 B11R1.22 c1cc(ccc1C(=O)CBr)I TS00840 [0,1,0,0,0,0|2,0,1]=4 392 B11R1.22 c1cc(ccc1C(=O)CBr)N TS08872 [0,1,0,0,0,0|2,0,1]=4 393 B11R1.22 c1cc(ccc1C(=O)CCl)Br TS53521 [0,1,0,0,0,0|2,0,1]=4 394 B11R1.22 c1cc(ccc1C(=O)CCl)Cl TS50850 [0,1,0,0,0,0|2,0,1]=4 395 B11R1.22 c1cc(ccc1C(=O)CCl)F TS55185 [0,1,0,0,0,0|2,0,1]=4 396 B11R1.22 c1cc(ccc1C(=O)CCl)O TS12920 [0,1,0,0,0,0|2,0,1]=4 397 B11R1.22 c1cc(ccc1C(=O)CF)Cl TS08166 [0,1,0,0,0,0|2,0,1]=4 398 B11R1.22 c1cc(ccc1C(=O)CN)Br TS08267 [0,1,0,0,0,0|1,0,1]=3 399 B11R1.22 c1cc(ccc1C(=O)CN)Br TS70999 [0,1,0,0,0,0|1,0,1]=3 400 B11R1.22 c1cc(ccc1C(=O)CO)Br TS44630 [0,1,0,0,0,0|2,0,1]=4 401 B11R1.22 c1cc(ccc1C(=O)CO)Cl TS12909 [0,1,0,0,0,0|2,0,1]=4 402 B11R1.22 c1cc(ccc1C(=O)CO)F TS41344 [0,1,0,0,0,0|2,0,1]=4 403 B11R1.22 c1cc(ccc1C(=O)CO)I TS29736 [0,1,0,0,0,0|2,0,1]=4 404 B11R1.22 c1cc(ccc1C(=O)NN)Br TS44646 [0,1,0,0,0,0|2,0,1]=4 405 B11R1.22 c1cc(ccc1C(=O)NN)Cl TS45235 [0,1,0,0,0,0|2,0,1]=4 406 B11R1.22 c1cc(ccc1C(=O)NN)F TS16671 [0,1,0,0,0,0|2,0,1]=4 407 B11R1.22 c1cc(ccc1C(=O)NN)N TS41022 [0,1,0,0,0,0|2,0,1]=4 408 B11R1.22 c1cc(ccc1C(=O)NN)O TS41128 [0,1,0,0,0,0|2,0,1]=4 409 B11R1.22 c1cc(ccc1C(C#N)N)F TS07933 [0,1,0,0,0,0|1,0,2]=4 410 B11R1.22 c1cc(ccc1C(C#N)O)O TS07544 [0,1,0,0,0,0|1,0,2]=4 411 B11R1.22 c1cc(ccc1C(CBr)Br)F TS34375 [0,1,0,0,0,0|2,0,0]=3 412 B11R1.22 c1cc(ccc1C(CCl)O)Cl TS51233 [0,1,0,0,0,0|2,0,0]=3 413 B11R1.22 c1cc(ccc1C(CN)O)Br TS28392 [0,1,0,0,0,0|1,0,0]=2 414 B11R1.22 c1cc(ccc1C(CN)O)Cl TS43395 [0,1,0,0,0,0|1,0,0]=2 415 B11R1.22 c1cc(ccc1C(CN)O)F TS51366 [0,1,0,0,0,0|1,0,0]=2 416 B11R1.22 c1cc(ccc1C(CN)O)O TS41283 [0,1,0,0,0,0|1,0,0]=2 417 B11R1.22 c1cc(ccc1C(CO)Cl)Cl TS51225 [0,1,0,0,0,0|2,0,0]=3 418 B11R1.22 c1cc(ccc1[C@@H](CCl)O)F TS13596 [0,1,0,0,0,0|2,0,0]=3 419 B11R1.22 c1cc(ccc1[C@H](C#N)O)Cl TS43273 [0,1,0,0,0,0|1,0,2]=4 420 B11R1.22 c1cc(ccc1[C@H](CCl)O)F TS13604 [0,1,0,0,0,0|2,0,0]=3 421 B11R1.23 CCC(=O)c1cccc(c1)C TS40654 [0,1,0,0,0,0|2,0,1]=4 422 B11R1.23 CCC(=O)c1cccc(c1)Cl TS12612 [0,1,0,0,0,0|2,0,1]=4 423 B11R1.23 CCC(=O)c1cccc(c1)F TS02767 [0,1,0,0,0,0|2,0,1]=4 424 B11R1.23 CCC(=O)c1cccc(c1)N TS40743 [0,1,0,0,0,0|2,0,1]=4 425 B11R1.23 CCC(=O)c1cccc(c1)O TS02798 [0,1,0,0,0,0|2,0,1]=4 426 B11R1.23 CCN(c1cccc(c1)C)N TS09936 [0,1,0,0,0,0|3,0,0]=4 427 B11R1.23 CC[C@@H](c1cccc(c1)Cl)N TS45063 [0,1,0,0,0,0|2,0,0]=3 428 B11R1.23 Cc1cccc(c1)C(=O)NN TS40877 [0,1,0,0,0,0|2,0,1]=4 429 B11R1.23 Cc1cccc(c1)C(CN)O TS50638 [0,1,0,0,0,0|1,0,0]=2 430 B11R1.23 c1cc(cc(c1)Br)C(=O)CBr TS47138 [0,1,0,0,0,0|2,0,1]=4 431 B11R1.23 c1cc(cc(c1)Br)C(=O)NN TS22887 [0,1,0,0,0,0|2,0,1]=4 432 B11R1.23 c1cc(cc(c1)Br)C(CN)O TS28394 [0,1,0,0,0,0|1,0,0]=2 433 B11R1.23 c1cc(cc(c1)Cl)C(=O)CBr TS00836 [0,1,0,0,0,0|2,0,1]=4 434 B11R1.23 c1cc(cc(c1)Cl)C(=O)CCl TS50852 [0,1,0,0,0,0|2,0,1]=4 435 B11R1.23 c1cc(cc(c1)Cl)C(=O)CN TS20094 [0,1,0,0,0,0|1,0,1]=3 436 B11R1.23 c1cc(cc(c1)Cl)C(=O)NN TS45241 [0,1,0,0,0,0|2,0,1]=4 437 B11R1.23 c1cc(cc(c1)Cl)C(CBr)O TS25796 [0,1,0,0,0,0|2,0,0]=3 438 B11R1.23 c1cc(cc(c1)Cl)C(CCl)O TS51228 [0,1,0,0,0,0|2,0,0]=3 439 B11R1.23 c1cc(cc(c1)Cl)C(CN)O TS43396 [0,1,0,0,0,0|1,0,0]=2 440 B11R1.23 c1cc(cc(c1)Cl)C(CO)Cl TS17228 [0,1,0,0,0,0|2,0,0]=3 441 B11R1.23 c1cc(cc(c1)Cl)[C@@H](CO)N TS93997 [0,1,0,0,0,0|2,0,0]=3 442 B11R1.23 c1cc(cc(c1)Cl)[C@H](CCl)O TS51236 [0,1,0,0,0,0|2,0,0]=3 443 B11R1.23 c1cc(cc(c1)Cl)[C@H](CN)O TS43393 [0,1,0,0,0,0|1,0,0]=2 444 B11R1.23 c1cc(cc(c1)Cl)[C@H](CO)N TS45378 [0,1,0,0,0,0|2,0,0]=3 445 B11R1.23 c1cc(cc(c1)Cl)[C@H](CO)O TS45562 [0,1,0,0,0,0|2,0,0]=3 446 B11R1.23 c1cc(cc(c1)F)C(=O)CBr TS70599 [0,1,0,0,0,0|2,0,1]=4 447 B11R1.23 c1cc(cc(c1)F)C(=O)CCl TS09259 [0,1,0,0,0,0|2,0,1]=4 448 B11R1.23 c1cc(cc(c1)F)C(=O)NN TS10394 [0,1,0,0,0,0|2,0,1]=4 449 B11R1.23 c1cc(cc(c1)F)C(CN)O TS51365 [0,1,0,0,0,0|1,0,0]=2 450 B11R1.23 c1cc(cc(c1)N)C(=O)CBr TS44452 [0,1,0,0,0,0|2,0,1]=4 451 B11R1.23 c1cc(cc(c1)N)C(=O)NN TS10046 [0,1,0,0,0,0|2,0,1]=4 452 B11R1.23 c1cc(cc(c1)O)C(=O)CBr TS44634 [0,1,0,0,0,0|2,0,1]=4 453 B11R1.23 c1cc(cc(c1)O)C(=O)NN TS41112 [0,1,0,0,0,0|2,0,1]=4 454 B11R1.23 c1cc(cc(c1)O)C(CN)O TS16253 [0,1,0,0,0,0|1,0,0]=2 455 B11R1.23 c1cc(cc(c1)O)C(CN)O TS41280 [0,1,0,0,0,0|1,0,0]=2 456 B11R1.36 CC(=C)C(c1ccccc1)O TS07470 [0,1,0,0,0,0|2,0,1]=4 457 B11R1.36 CC(=O)C(c1ccccc1)Br TS60203 [0,1,0,0,0,0|2,0,1]=4 458 B11R1.36 CC(=O)C(c1ccccc1)N TS46844 [0,1,0,0,0,0|2,0,1]=4 459 B11R1.36 CC(C(=O)c1ccccc1)Br TS21451 [0,1,0,0,0,0|2,0,1]=4 460 B11R1.36 CC(C(=O)c1ccccc1)Cl TS00953 [0,1,0,0,0,0|2,0,1]=4 461 B11R1.36 CC(C)C(=O)c1ccccc1 TS07468 [0,1,0,0,0,0|2,0,1]=4 462 B11R1.36 CC(C)C(C)c1ccccc1 TS40688 [0,1,0,0,0,0|1,0,0]=2 463 B11R1.36 CC(C)C(c1ccccc1)N TS40783 [0,1,0,0,0,0|2,0,0]=3 464 B11R1.36 CC(C)C(c1ccccc1)O TS40912 [0,1,0,0,0,0|2,0,0]=3 465 B11R1.36 CC(C)[C@@H](c1ccccc1)O TS09919 [0,1,0,0,0,0|2,0,0]=3 466 B11R1.36 CC(C)[C@H](c1ccccc1)O TS09912 [0,1,0,0,0,0|2,0,0]=3 467 B11R1.36 CC(c1ccccc1)C(=O)O TS65642 [0,1,0,0,0,0|1,0,1]=3 468 B11R1.36 CC(c1ccccc1)N(C)C TS07606 [0,1,0,0,0,0|2,0,0]=3 469 B11R1.36 CN(c1ccccc1)C(=O)Cl TS12717 [0,1,0,0,0,0|2,0,1]=4 470 B11R1.36 CN(c1ccccc1)C(=S)Cl TS15542 [0,1,0,0,0,0|2,0,1]=4 471 B11R1.36 CN(c1ccccc1)C(=S)N TS12282 [0,1,0,0,0,0|1,0,1]=3 472 B11R1.36 C[C@@H](c1ccccc1)C(=O)O TS22970 [0,1,0,0,0,0|1,0,1]=3 473 B11R1.36 C[C@@H](c1ccccc1)N(C)C TS07604 [0,1,0,0,0,0|2,0,0]=3 474 B11R1.36 C[C@H]([C@H](c1ccccc1)O)N TS10078 [0,1,0,0,0,0|1,0,0]=2 475 B11R1.36 C[C@H]([C@H](c1ccccc1)O)N TS50636 [0,1,0,0,0,0|1,0,0]=2 476 B11R1.36 C[C@H]([C@H](c1ccccc1)O)N TS50640 [0,1,0,0,0,0|1,0,0]=2 477 B11R1.36 C[C@H](c1ccccc1)C(=O)O TS22963 [0,1,0,0,0,0|1,0,1]=3 478 B11R1.36 C[C@H](c1ccccc1)N(C)C TS40779 [0,1,0,0,0,0|2,0,0]=3 479 B11R1.36 c1ccc(cc1)C(=O)C(Cl)Cl TS50848 [0,1,0,0,0,0|2,0,1]=4 480 B11R1.36 c1ccc(cc1)C(=O)C(F)F TS10655 [0,1,0,0,0,0|2,0,1]=4 481 B11R1.36 c1ccc(cc1)C(C(=O)Cl)Cl TS50847 [0,1,0,0,0,0|2,0,1]=4 482 B11R1.36 c1ccc(cc1)C(C(=O)N)N TS32776 [0,1,0,0,0,0|1,0,1]=3 483 B11R1.36 c1ccc(cc1)C(C(=O)N)O TS10014 [0,1,0,0,0,0|1,0,1]=3 484 B11R1.36 c1ccc(cc1)C(C(=O)O)Br TS40041 [0,1,0,0,0,0|2,0,1]=4 485 B11R1.36 c1ccc(cc1)C(C(=O)O)Cl TS12921 [0,1,0,0,0,0|2,0,1]=4 486 B11R1.36 c1ccc(cc1)C(C(=O)O)F TS41345 [0,1,0,0,0,0|2,0,1]=4 487 B11R1.36 c1ccc(cc1)C(C(=O)O)O TS10137 [0,1,0,0,0,0|2,0,1]=4 488 B11R1.36 c1ccc(cc1)C(C(=O)O)O TS10144 [0,1,0,0,0,0|2,0,1]=4 489 B11R1.36 c1ccc(cc1)C(C(=O)O)O TS35517 [0,1,0,0,0,0|2,0,1]=4 490 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)Br TS44638 [0,1,0,0,0,0|2,0,1]=4 491 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)N TS01533 [0,1,0,0,0,0|2,0,1]=4 492 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)O TS46637 [0,1,0,0,0,0|2,0,1]=4 493 B11R1.36 c1ccc(cc1)[C@H](C(=O)Cl)N TS20096 [0,1,0,0,0,0|2,0,1]=4 494 B11R1.36 c1ccc(cc1)[C@H](C(=O)N)N TS01409 [0,1,0,0,0,0|1,0,1]=3 495 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)N TS33222 [0,1,0,0,0,0|2,0,1]=4 496 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)O TS93945 [0,1,0,0,0,0|2,0,1]=4 497 B11R1.222 CC(=NO)c1ccccc1O TS10031 [0,1,0,0,0,0|2,0,1]=4 498 B11R1.222 CCC(=O)c1ccccc1F TS01035 [0,1,0,0,0,0|2,0,1]=4 499 B11R1.222 CCC(=O)c1ccccc1O TS09859 [0,1,0,0,0,0|2,0,1]=4 500 B11R1.222 CCC(C)c1ccccc1N TS40776 [0,1,0,0,0,0|1,0,0]=2 501 B11R1.222 CCC(C)c1ccccc1O TS40906 [0,1,0,0,0,0|1,0,0]=2 502 B11R1.222 Cc1ccccc1C(=O)NN TS40876 [0,1,0,0,0,0|2,0,1]=4 503 B11R1.222 c1ccc(c(c1)C(=O)CBr)Br TS00854 [0,1,0,0,0,0|2,0,1]=4 504 B11R1.222 c1ccc(c(c1)C(=O)CBr)Cl TS08386 [0,1,0,0,0,0|2,0,1]=4 505 B11R1.222 c1ccc(c(c1)C(=O)CBr)F TS01031 [0,1,0,0,0,0|2,0,1]=4 506 B11R1.222 c1ccc(c(c1)C(=O)CBr)O TS44636 [0,1,0,0,0,0|2,0,1]=4 507 B11R1.222 c1ccc(c(c1)C(=O)CCl)N TS08140 [0,1,0,0,0,0|2,0,1]=4 508 B11R1.222 c1ccc(c(c1)C(=O)CN)F TS08266 [0,1,0,0,0,0|1,0,1]=3 509 B11R1.222 c1ccc(c(c1)C(=O)NN)Br TS44649 [0,1,0,0,0,0|2,0,1]=4 510 B11R1.222 c1ccc(c(c1)C(=O)NN)Cl TS45234 [0,1,0,0,0,0|2,0,1]=4 511 B11R1.222 c1ccc(c(c1)C(=O)NN)F TS10393 [0,1,0,0,0,0|2,0,1]=4 512 B11R1.222 c1ccc(c(c1)C(=O)NN)I TS29743 [0,1,0,0,0,0|2,0,1]=4 513 B11R1.222 c1ccc(c(c1)C(=O)NN)N TS41026 [0,1,0,0,0,0|2,0,1]=4 514 B11R1.222 c1ccc(c(c1)C(=O)NN)O TS41118 [0,1,0,0,0,0|2,0,1]=4 515 B11R1.222 c1ccc(c(c1)C(CN)O)Br TS28393 [0,1,0,0,0,0|1,0,0]=2 516 B11R1.222 c1ccc(c(c1)C(CN)O)Cl TS43394 [0,1,0,0,0,0|1,0,0]=2 517 B11R1.222 c1ccc(c(c1)C(CN)O)F TS51364 [0,1,0,0,0,0|1,0,0]=2 518 B11R1.222 c1ccc(c(c1)C(CN)O)I TS74551 [0,1,0,0,0,0|1,0,0]=2 519 B11R1.222 c1ccc(c(c1)C(CO)N)Cl TS45379 [0,1,0,0,0,0|2,0,0]=3 520 B11R2.1 CC1C=Cc2c1cccc2 TS36509 [0,0,0,1,0,0|1,0,1]=3 521 B11R2.1 CC1CCc2c1nccn2 TS05914 [0,0,0,1,0,0|3,0,0]=4 522 B11R2.1 CC1CNc2c1cccc2 TS05845 [0,0,0,1,0,0|0,0,0]=1 523 B11R2.1 CN1CCc2c1cccc2 TS36778 [0,0,0,1,0,0|2,0,0]=3 524 B11R2.1 Cc1c2c(cccn2)[nH]n1 TS89959 [0,0,0,1,0,0|2,0,1]=4 525 B11R2.1 Cc1c2ccccc2[nH]n1 TS70652 [0,0,0,1,0,0|1,0,1]=3 526 B11R2.1 Cc1c2ccccc2[nH]n1 TS91059 [0,0,0,1,0,0|1,0,1]=3 527 B11R2.1 Cc1c2ccccc2on1 TS36752 [0,0,0,1,0,0|2,0,1]=4 528 B11R2.1 Cc1c2cccnc2[nH]n1 TS88546 [0,0,0,1,0,0|2,0,1]=4 529 B11R2.1 Cc1c2ccncc2[nH]n1 TS89013 [0,0,0,1,0,0|2,0,1]=4 530 B11R2.1 Cc1c2cnccc2[nH]n1 TS88623 [0,0,0,1,0,0|2,0,1]=4 531 B11R2.1 Cc1c[nH]c2c1cccc2 TS02848 [0,0,0,1,0,0|0,0,2]=3 532 B11R2.1 Cc1c[nH]c2c1cccn2 TS05738 [0,0,0,1,0,0|1,0,2]=4 533 B11R2.1 Cc1c[nH]c2c1nccc2 TS36677 [0,0,0,1,0,0|1,0,2]=4 534 B11R2.1 Cc1coc2c1cccc2 TS36667 [0,0,0,1,0,0|1,0,2]=4 535 B11R2.1 Cc1csc2c1cccc2 TS07495 [0,0,0,1,0,0|1,0,2]=4 536 B11R2.1 Cn1c2ccccc2cn1 TS36679 [0,0,0,1,0,0|3,0,0]=4 537 B11R2.1 Cn1c2ccccc2nn1 TS01810 [0,0,0,1,0,0|2,0,1]=4 538 B11R2.1 Cn1ccc2c1cccc2 TS00492 [0,0,0,1,0,0|2,0,1]=4 539 B11R2.1 Cn1cnc2c1cccc2 TS36688 [0,0,0,1,0,0|1,0,2]=4 540 B11R2.1 c1cc2c(nc1)C(CC2)O TS36915 [0,0,0,1,0,0|3,0,0]=4 541 B11R2.1 c1cc2c(nc1)CCC2N TS59726 [0,0,0,1,0,0|3,0,0]=4 542 B11R2.1 c1ccc2c(c1)C(=O)CO2 TS05876 [0,0,0,1,0,0|2,0,1]=4 543 B11R2.1 c1ccc2c(c1)C(CO2)N TS05988 [0,0,0,1,0,0|2,0,0]=3 544 B11R2.1 c1ccc2c(c1)C(CO2)N TS45384 [0,0,0,1,0,0|2,0,0]=3 545 B11R2.1 c1ccc2c(c1)CCC2=O TS46969 [0,0,0,1,0,0|2,0,1]=4 546 B11R2.1 c1ccc2c(c1)CCC2Cl TS41220 [0,0,0,1,0,0|2,0,0]=3 547 B11R2.1 c1ccc2c(c1)CCC2N TS05846 [0,0,0,1,0,0|2,0,0]=3 548 B11R2.1 c1ccc2c(c1)CCC2N TS45061 [0,0,0,1,0,0|2,0,0]=3 549 B11R2.1 c1ccc2c(c1)CCC2O TS36840 [0,0,0,1,0,0|2,0,0]=3 550 B11R2.1 c1ccc2c(c1)CC[C@@H]2N TS36779 [0,0,0,1,0,0|2,0,0]=3 551 B11R2.1 c1ccc2c(c1)CC[C@@H]2O TS36843 [0,0,0,1,0,0|2,0,0]=3 552 B11R2.1 c1ccc2c(c1)CC[C@H]2N TS01966 [0,0,0,1,0,0|2,0,0]=3 553 B11R2.1 c1ccc2c(c1)CC[C@H]2N TS08065 [0,0,0,1,0,0|2,0,0]=3 554 B11R2.1 c1ccc2c(c1)CC[C@H]2O TS36850 [0,0,0,1,0,0|2,0,0]=3 555 B11R2.1 c1ccc2c(c1)c(c[nH]2)Br TS65948 [0,0,0,1,0,0|1,0,2]=4 556 B11R2.1 c1ccc2c(c1)c(c[nH]2)F TS05986 [0,0,0,1,0,0|1,0,2]=4 557 B11R2.1 c1ccc2c(c1)c(c[nH]2)I TS26960 [0,0,0,1,0,0|1,0,2]=4 558 B11R2.1 c1ccc2c(c1)c(c[nH]2)O TS70623 [0,0,0,1,0,0|1,0,2]=4 559 B11R2.1 c1ccc2c(c1)c(n[nH]2)Br TS65947 [0,0,0,1,0,0|2,0,1]=4 560 B11R2.1 c1ccc2c(c1)c(n[nH]2)Cl TS09510 [0,0,0,1,0,0|2,0,1]=4 561 B11R2.1 c1ccc2c(c1)c(n[nH]2)I TS02806 [0,0,0,1,0,0|2,0,1]=4 562 B11R2.1 c1ccc2c(c1)c(n[nH]2)N TS46951 [0,0,0,1,0,0|2,0,1]=4 563 B11R2.1 c1ccc2c(c1)c(n[nH]2)O TS05879 [0,0,0,1,0,0|2,0,1]=4 564 B11R2.4 CC1CC1c2ccccc2 TS36705 [0,0,0,1,0,0|1,0,0]=2 565 B11R2.4 C[C@@H]1[C@H](O1)c2ccccc2 TS05905 [0,0,0,1,0,0|2,0,0]=3 566 B11R2.4 C[C@H]1[C@@H](O1)c2ccccc2 TS36853 [0,0,0,1,0,0|2,0,0]=3 567 B11R2.4 c1ccc(cc1)C2CC2N TS45058 [0,0,0,1,0,0|0,0,0]=1 568 B11R2.4 c1ccc(cc1)[C@@H]2C[C@H]2N TS12741 [0,0,0,1,0,0|0,0,0]=1 569 B11R2.4 c1ccc(cc1)[C@@H]2C[C@H]2N TS66575 [0,0,0,1,0,0|0,0,0]=1 570 B11R2.40 CC1(CO1)c2ccccc2 TS36836 [0,0,0,1,0,0|1,0,0]=2 571 B11R2.40 c1cc(cnc1)C2(CC2)N TS47030 [0,0,0,1,0,0|3,0,0]=4 572 B11R2.40 c1ccnc(c1)C2(CC2)N TS05915 [0,0,0,1,0,0|3,0,0]=4 573 B11R2.239 c1ccc(cc1)C2CCN2 TS36775 [0,0,0,1,0,0|2,0,0]=3 574 B11R2.988 c1ccc2c(c1)CC2CO TS36669 [0,0,0,1,0,0|1,0,0]=2 575 B9R1.11 CC(c1ccco1)NO TS36224 [0,0,0,0,1,0|3,0,0]=4 576 B9R1.11 CCC(C)c1nccs1 TS06614 [0,0,0,0,1,0|3,0,0]=4 577 B9R1.11 c1cc(oc1)C(CN)O TS36223 [0,0,0,0,1,0|2,0,0]=3 578 B9R1.11 c1cc(oc1)[C@@H](CN)O TS36216 [0,0,0,0,1,0|2,0,0]=3 579 B9R1.11 c1cc(sc1)C(CO)N TS91316 [0,0,0,0,1,0|3,0,0]=4 580 B11R1.40 CC(=Cc1ccccc1)C=O TS07231 [0,0,0,0,0,1|1,0,2]=4 581 B11R1.40 CC(=Cc1ccccc1)CO TS40644 [0,0,0,0,0,1|1,0,1]=3 582 B11R1.40 CC(=NO)Cc1ccccc1 TS40745 [0,0,0,0,0,1|2,0,1]=4 583 B11R1.40 CC(CO)Oc1ccccc1 TS41133 [0,0,0,0,0,1|1,0,0]=2 584 B11R1.40 CC(Cc1ccccc1)C=O TS07461 [0,0,0,0,0,1|1,0,1]=3 585 B11R1.40 CC(Cc1ccccc1)NC TS07600 [0,0,0,0,0,1|2,0,0]=3 586 B11R1.40 CCC(=Cc1ccccc1)C TS07268 [0,0,0,0,0,1|1,0,1]=3 587 B11R1.40 CCC(=O)Cc1ccccc1 TS07483 [0,0,0,0,0,1|2,0,1]=4 588 B11R1.40 CCC(=O)Nc1ccccc1 TS29506 [0,0,0,0,0,1|2,0,1]=4 589 B11R1.40 CCC(C)Cc1ccccc1 TS40686 [0,0,0,0,0,1|1,0,0]=2 590 B11R1.40 CCC(Cc1ccccc1)O TS00513 [0,0,0,0,0,1|2,0,0]=3 591 B11R1.40 CN(Cc1ccccc1)N=O TS09887 [0,0,0,0,0,1|3,0,0]=4 592 B11R1.40 C[C@@H](Cc1ccccc1)NC TS40789 [0,0,0,0,0,1|2,0,0]=3 593 B11R1.40 C[C@H](Cc1ccccc1)NC TS40784 [0,0,0,0,0,1|2,0,0]=3 594 B11R1.40 c1ccc(cc1)CC(=O)CCl TS44955 [0,0,0,0,0,1|2,0,1]=4 595 B11R1.40 c1ccc(cc1)CC(=O)NN TS09901 [0,0,0,0,0,1|2,0,1]=4 596 B11R1.40 c1ccc(cc1)CC(C#N)Cl TS12109 [0,0,0,0,0,1|1,0,2]=4 597 B11R1.40 c1ccc(cc1)C[C@H](CN)N TS09945 [0,0,0,0,0,1|1,0,0]=2 598 B11R1.40 c1ccc(cc1)C[C@H](CO)N TS07919 [0,0,0,0,0,1|2,0,0]=3 599 B11R1.40 c1ccc(cc1)NC(=O)CCl TS12724 [0,0,0,0,0,1|2,0,1]=4 600 B11R1.40 c1ccc(cc1)NC(=O)CS TS12417 [0,0,0,0,0,1|2,0,1]=4 601 B11R1.40 c1ccc(cc1)NC(=O)NN TS41023 [0,0,0,0,0,1|2,0,1]=4 602 B11R1.40 c1ccc(cc1)NC(=O)NN TS50626 [0,0,0,0,0,1|2,0,1]=4 603 B11R1.40 c1ccc(cc1)NC(=S)NN TS12418 [0,0,0,0,0,1|2,0,1]=4 604 B11R1.40 c1ccc(cc1)OC(=O)CBr TS44644 [0,0,0,0,0,1|2,0,1]=4 605 B11R1.40 c1ccc(cc1)OC(=O)CCl TS12932 [0,0,0,0,0,1|2,0,1]=4 606 B8R0.4 CCCC=CC=CC=O TS36011 [1,0,1,0,0,0|2,0,0]=4 607 B8R1.2 C#Cc1ccccc1 TS39865 [2,0,0,0,0,0|0,0,2]=4 608 B8R1.2 C=Cc1ccccc1 TS04045 [2,0,0,0,0,0|0,0,2]=4 609 B8R1.2 CCC1=CCC=CC1 TS04142 [2,0,0,0,0,0|0,0,2]=4 610 B8R1.2 CC[n+]1ccccc1 TS40125 [2,0,0,0,0,0|1,0,0]=3 611 B8R1.2 CC[n+]1ccccc1 TS50650 [2,0,0,0,0,0|1,0,0]=3 612 B8R1.2 CCc1ccccc1 TS04102 [2,0,0,0,0,0|0,0,0]=2 613 B8R1.2 CCc1ccccn1 TS55316 [2,0,0,0,0,0|1,0,0]=3 614 B8R1.2 CCc1cccnc1 TS04113 [2,0,0,0,0,0|1,0,0]=3 615 B8R1.2 CCc1ccncc1 TS04110 [2,0,0,0,0,0|1,0,0]=3 616 B8R1.2 CCc1cnccn1 TS31774 [2,0,0,0,0,0|2,0,0]=4 617 B8R1.2 CNc1ccccc1 TS31758 [2,0,0,0,0,0|1,0,0]=3 618 B8R1.2 CNc1ccccc1 TS40129 [2,0,0,0,0,0|1,0,0]=3 619 B8R1.2 CNc1ccccn1 TS22814 [2,0,0,0,0,0|2,0,0]=4 620 B8R1.2 CNc1cccnc1 TS09432 [2,0,0,0,0,0|2,0,0]=4 621 B8R1.2 CNc1ccncc1 TS16891 [2,0,0,0,0,0|2,0,0]=4 622 B8R1.2 COc1ccccc1 TS39801 [2,0,0,0,0,0|1,0,0]=3 623 B8R1.2 COc1ccncc1 TS03163 [2,0,0,0,0,0|2,0,0]=4 624 B8R1.2 CPc1ccccc1 TS32592 [2,0,0,0,0,0|1,0,0]=3 625 B8R1.2 CSc1ccccc1 TS36022 [2,0,0,0,0,0|1,0,0]=3 626 B8R1.2 CSc1ccccn1 TS05101 [2,0,0,0,0,0|2,0,0]=4 627 B8R1.2 CSc1cccnc1 TS05108 [2,0,0,0,0,0|2,0,0]=4 628 B8R1.2 C[NH2+]c1ccccc1 TS49917 [2,0,0,0,0,0|1,0,0]=3 629 B8R1.2 C[SiH2]c1ccccc1 TS04929 [2,0,0,0,0,0|0,1,0]=3 630 B8R1.2 [C-]#[N+]c1ccccc1 TS59810 [2,0,0,0,0,0|1,0,1]=4 631 B8R1.2 c1c(cncn1)CN TS55503 [2,0,0,0,0,0|2,0,0]=4 632 B8R1.2 c1cc(cnc1)CBr TS09437 [2,0,0,0,0,0|2,0,0]=4 633 B8R1.2 c1cc(cnc1)CCl TS00113 [2,0,0,0,0,0|2,0,0]=4 634 B8R1.2 c1cc(cnc1)CCl TS02031 [2,0,0,0,0,0|2,0,0]=4 635 B8R1.2 c1cc(cnc1)CI TS49544 [2,0,0,0,0,0|2,0,0]=4 636 B8R1.2 c1cc(cnc1)CI TS64566 [2,0,0,0,0,0|2,0,0]=4 637 B8R1.2 c1cc(cnc1)CN TS02883 [2,0,0,0,0,0|1,0,0]=3 638 B8R1.2 c1cc(cnc1)CO TS92960 [2,0,0,0,0,0|2,0,0]=4 639 B8R1.2 c1cc(cnc1)CO TS93835 [2,0,0,0,0,0|2,0,0]=4 640 B8R1.2 c1cc(cnc1)NN TS87727 [2,0,0,0,0,0|2,0,0]=4 641 B8R1.2 c1cc(nnc1)CN TS90318 [2,0,0,0,0,0|2,0,0]=4 642 B8R1.2 c1ccc(cc1)C#N TS01882 [2,0,0,0,0,0|0,0,2]=4 643 B8R1.2 c1ccc(cc1)C#N TS80489 [2,0,0,0,0,0|0,0,2]=4 644 B8R1.2 c1ccc(cc1)C=O TS43757 [2,0,0,0,0,0|1,0,1]=4 645 B8R1.2 c1ccc(cc1)CCl TS36191 [2,0,0,0,0,0|1,0,0]=3 646 B8R1.2 c1ccc(cc1)CF TS31826 [2,0,0,0,0,0|1,0,0]=3 647 B8R1.2 c1ccc(cc1)CI TS09176 [2,0,0,0,0,0|1,0,0]=3 648 B8R1.2 c1ccc(cc1)CN TS01379 [2,0,0,0,0,0|0,0,0]=2 649 B8R1.2 c1ccc(cc1)CN TS40124 [2,0,0,0,0,0|0,0,0]=2 650 B8R1.2 c1ccc(cc1)CO TS31769 [2,0,0,0,0,0|1,0,0]=3 651 B8R1.2 c1ccc(cc1)CS TS36023 [2,0,0,0,0,0|1,0,0]=3 652 B8R1.2 c1ccc(cc1)I=O TS49692 [2,0,0,0,0,0|2,0,0]=4 653 B8R1.2 c1ccc(cc1)N=O TS31751 [2,0,0,0,0,0|2,0,0]=4 654 B8R1.2 c1ccc(cc1)NN TS07047 [2,0,0,0,0,0|1,0,0]=3 655 B8R1.2 c1ccc(cc1)NN TS31771 [2,0,0,0,0,0|1,0,0]=3 656 B8R1.2 c1ccc(cc1)NN TS61145 [2,0,0,0,0,0|1,0,0]=3 657 B8R1.2 c1ccc(cc1)NN TS76102 [2,0,0,0,0,0|1,0,0]=3 658 B8R1.2 c1ccc(cc1)NO TS31793 [2,0,0,0,0,0|2,0,0]=4 659 B8R1.2 c1ccc(cc1)NO TS37696 [2,0,0,0,0,0|2,0,0]=4 660 B8R1.2 c1ccc(cc1)ON TS07146 [2,0,0,0,0,0|1,0,0]=3 661 B8R1.2 c1ccc(cc1)[Hg]Cl TS76590 [2,0,0,0,0,0|2,0,0]=4 662 B8R1.2 c1ccc(cc1)[Hg]I TS69412 [2,0,0,0,0,0|2,0,0]=4 663 B8R1.2 c1ccc(cc1)[Mg]Br TS59811 [2,0,0,0,0,0|2,0,0]=4 664 B8R1.2 c1ccc(cc1)[Mg]Cl TS06150 [2,0,0,0,0,0|2,0,0]=4 665 B8R1.2 c1ccc(cc1)[Mg]I TS52700 [2,0,0,0,0,0|2,0,0]=4 666 B8R1.2 c1ccc(cc1)[N+]#N TS27981 [2,0,0,0,0,0|1,0,1]=4 667 B8R1.2 c1ccnc(c1)CBr TS47083 [2,0,0,0,0,0|2,0,0]=4 668 B8R1.2 c1ccnc(c1)CCl TS47089 [2,0,0,0,0,0|2,0,0]=4 669 B8R1.2 c1ccnc(c1)CCl TS47090 [2,0,0,0,0,0|2,0,0]=4 670 B8R1.2 c1ccnc(c1)CN TS00811 [2,0,0,0,0,0|1,0,0]=3 671 B8R1.2 c1ccnc(c1)CO TS07144 [2,0,0,0,0,0|2,0,0]=4 672 B8R1.2 c1ccnc(c1)CO TS31798 [2,0,0,0,0,0|2,0,0]=4 673 B8R1.2 c1ccnc(c1)CS TS05100 [2,0,0,0,0,0|2,0,0]=4 674 B8R1.2 c1ccnc(c1)NN TS14875 [2,0,0,0,0,0|2,0,0]=4 675 B8R1.2 c1ccnc(c1)NN TS55380 [2,0,0,0,0,0|2,0,0]=4 676 B8R1.2 c1cnc(cn1)CN TS01661 [2,0,0,0,0,0|2,0,0]=4 677 B8R1.2 c1cnc(nc1)CN TS02480 [2,0,0,0,0,0|2,0,0]=4 678 B8R1.2 c1cnccc1CBr TS39318 [2,0,0,0,0,0|2,0,0]=4 679 B8R1.2 c1cnccc1CCl TS16903 [2,0,0,0,0,0|2,0,0]=4 680 B8R1.2 c1cnccc1CN TS31773 [2,0,0,0,0,0|1,0,0]=3 681 B8R1.2 c1cnccc1CO TS07149 [2,0,0,0,0,0|2,0,0]=4 682 B8R1.2 c1cnccc1CO TS71297 [2,0,0,0,0,0|2,0,0]=4 683 B8R1.2 c1cnccc1NN TS89841 [2,0,0,0,0,0|2,0,0]=4 684 B8R1.2 c1cncnc1CN TS16892 [2,0,0,0,0,0|2,0,0]=4 685 B8R1.2 c1cncnc1CN TS85609 [2,0,0,0,0,0|2,0,0]=4 686 B8R1.2 c1cnncc1CN TS90837 [2,0,0,0,0,0|2,0,0]=4 687 B10R1.13 CC(=C)c1ccc(cc1)Cl TS41219 [1,1,0,0,0,0|0,0,2]=4 688 B10R1.13 CC(=C)c1ccc(cc1)F TS36996 [1,1,0,0,0,0|0,0,2]=4 689 B10R1.13 CC(=O)c1ccc(cc1)Cl TS71057 [1,1,0,0,0,0|1,0,1]=4 690 B10R1.13 CC(=O)c1ccc(cc1)F TS93776 [1,1,0,0,0,0|1,0,1]=4 691 B10R1.13 CC(=O)c1ccc(cc1)I TS71192 [1,1,0,0,0,0|1,0,1]=4 692 B10R1.13 CC(=O)c1ccc(cc1)N TS39574 [1,1,0,0,0,0|1,0,1]=4 693 B10R1.13 CC(=O)c1ccc(cc1)N TS45381 [1,1,0,0,0,0|1,0,1]=4 694 B10R1.13 CC(C)c1ccc(cc1)Br TS00030 [1,1,0,0,0,0|0,0,0]=2 695 B10R1.13 CC(C)c1ccc(cc1)F TS06283 [1,1,0,0,0,0|0,0,0]=2 696 B10R1.13 CC(C)c1ccc(cc1)I TS27405 [1,1,0,0,0,0|0,0,0]=2 697 B10R1.13 CC(C)c1ccc(cc1)N TS39757 [1,1,0,0,0,0|0,0,0]=2 698 B10R1.13 CC(C)c1ccc(cc1)O TS06072 [1,1,0,0,0,0|0,0,0]=2 699 B10R1.13 CC(C)c1ccc(cc1)S TS41192 [1,1,0,0,0,0|0,0,0]=2 700 B10R1.13 CC(C)c1ccc(cn1)N TS88530 [1,1,0,0,0,0|1,0,0]=3 701 B10R1.13 CC(C)c1ccc(cn1)O TS06186 [1,1,0,0,0,0|1,0,0]=3 702 B10R1.13 CC(C)c1cnc(nc1)N TS71578 [1,1,0,0,0,0|2,0,0]=4 703 B10R1.13 CC(C)c1ncc(cn1)Br TS88647 [1,1,0,0,0,0|2,0,0]=4 704 B10R1.13 CC(c1ccc(cc1)Cl)N TS10633 [1,1,0,0,0,0|0,0,0]=2 705 B10R1.13 CC(c1ccc(cc1)Cl)O TS10801 [1,1,0,0,0,0|1,0,0]=3 706 B10R1.13 CC(c1ccc(cc1)F)O TS46723 [1,1,0,0,0,0|1,0,0]=3 707 B10R1.13 CC(c1ccc(cc1)N)O TS37111 [1,1,0,0,0,0|1,0,0]=3 708 B10R1.13 CC(c1ccc(cc1)O)O TS06269 [1,1,0,0,0,0|1,0,0]=3 709 B10R1.13 CC(c1ccc(cn1)F)N TS89780 [1,1,0,0,0,0|1,0,0]=3 710 B10R1.13 CC(c1ncc(cn1)F)N TS85834 [1,1,0,0,0,0|2,0,0]=4 711 B10R1.13 CC1=CCC(C=C1)C(C)C TS37056 [1,1,0,0,0,0|0,0,2]=4 712 B10R1.13 CC1=CC[C@@H](C=C1)C(C)C TS37050 [1,1,0,0,0,0|0,0,2]=4 713 B10R1.13 CN(C)c1ccc(cc1)Br TS39551 [1,1,0,0,0,0|1,0,0]=3 714 B10R1.13 CN(C)c1ccc(cc1)F TS37295 [1,1,0,0,0,0|1,0,0]=3 715 B10R1.13 CN(C)c1ccc(cc1)I TS27558 [1,1,0,0,0,0|1,0,0]=3 716 B10R1.13 CN(C)c1ccc(cc1)N TS24168 [1,1,0,0,0,0|1,0,0]=3 717 B10R1.13 CN(C)c1ccc(cc1)N TS37038 [1,1,0,0,0,0|1,0,0]=3 718 B10R1.13 CN(C)c1ccc(cc1)S TS10342 [1,1,0,0,0,0|1,0,0]=3 719 B10R1.13 CN(C)c1ccc(cn1)N TS43731 [1,1,0,0,0,0|2,0,0]=4 720 B10R1.13 CN(C)c1ccc(cn1)N TS90829 [1,1,0,0,0,0|2,0,0]=4 721 B10R1.13 CS(=O)c1ccc(cc1)Br TS49559 [1,1,0,0,0,0|2,0,0]=4 722 B10R1.13 CS(=O)c1ccc(cc1)Cl TS45877 [1,1,0,0,0,0|2,0,0]=4 723 B10R1.13 CS(=O)c1ccc(cc1)O TS10695 [1,1,0,0,0,0|2,0,0]=4 724 B10R1.13 C[C@@H](c1ccc(cc1)Br)N TS08104 [1,1,0,0,0,0|0,0,0]=2 725 B10R1.13 C[C@@H](c1ccc(cc1)Br)O TS38046 [1,1,0,0,0,0|1,0,0]=3 726 B10R1.13 C[C@@H](c1ccc(cc1)Cl)N TS41561 [1,1,0,0,0,0|0,0,0]=2 727 B10R1.13 C[C@@H](c1ccc(cc1)Cl)O TS41711 [1,1,0,0,0,0|1,0,0]=3 728 B10R1.13 C[C@@H](c1ccc(cc1)F)N TS39575 [1,1,0,0,0,0|0,0,0]=2 729 B10R1.13 C[C@@H](c1ccc(cc1)F)O TS06456 [1,1,0,0,0,0|1,0,0]=3 730 B10R1.13 C[C@@H](c1ccc(cc1)N)N TS20700 [1,1,0,0,0,0|0,0,0]=2 731 B10R1.13 C[C@H](c1ccc(cc1)Br)O TS38043 [1,1,0,0,0,0|1,0,0]=3 732 B10R1.13 C[C@H](c1ccc(cc1)Cl)N TS10630 [1,1,0,0,0,0|0,0,0]=2 733 B10R1.13 C[C@H](c1ccc(cc1)Cl)O TS41729 [1,1,0,0,0,0|1,0,0]=3 734 B10R1.13 C[C@H](c1ccc(cc1)F)O TS06452 [1,1,0,0,0,0|1,0,0]=3 735 B10R1.13 C[C@H](c1ccc(cc1)N)N TS20699 [1,1,0,0,0,0|0,0,0]=2 736 B10R1.13 Cc1ccc(cc1)C(=C)C TS36715 [1,1,0,0,0,0|0,0,2]=4 737 B10R1.13 Cc1ccc(cc1)C(=N)N TS12939 [1,1,0,0,0,0|1,0,1]=4 738 B10R1.13 Cc1ccc(cc1)C(=O)C TS03169 [1,1,0,0,0,0|1,0,1]=4 739 B10R1.13 Cc1ccc(cc1)C(=O)N TS36926 [1,1,0,0,0,0|1,0,1]=4 740 B10R1.13 Cc1ccc(cc1)C(=S)N TS41055 [1,1,0,0,0,0|1,0,1]=4 741 B10R1.13 Cc1ccc(cc1)C(C)C TS36855 [1,1,0,0,0,0|0,0,0]=2 742 B10R1.13 Cc1ccc(cc1)C(C)C TS84159 [1,1,0,0,0,0|0,0,0]=2 743 B10R1.13 Cc1ccc(cc1)C(C)N TS46732 [1,1,0,0,0,0|0,0,0]=2 744 B10R1.13 Cc1ccc(cc1)C(C)O TS37018 [1,1,0,0,0,0|1,0,0]=3 745 B10R1.13 Cc1ccc(cc1)C(Cl)Cl TS13626 [1,1,0,0,0,0|2,0,0]=4 746 B10R1.13 Cc1ccc(cc1)N(C)C TS34593 [1,1,0,0,0,0|1,0,0]=3 747 B10R1.13 Cc1ccc(cc1)S(=O)C TS10470 [1,1,0,0,0,0|2,0,0]=4 748 B10R1.13 Cc1ccc(cc1)S(=O)C TS10472 [1,1,0,0,0,0|2,0,0]=4 749 B10R1.13 Cc1ccc(cc1)S(=O)N TS10591 [1,1,0,0,0,0|2,0,0]=4 750 B10R1.13 Cc1ccc(cc1)S(=O)N TS10598 [1,1,0,0,0,0|2,0,0]=4 751 B10R1.13 Cc1ccc(cc1)[C@@H](C)N TS00309 [1,1,0,0,0,0|0,0,0]=2 752 B10R1.13 Cc1ccc(cc1)[C@@H](C)N TS06017 [1,1,0,0,0,0|0,0,0]=2 753 B10R1.13 Cc1ccc(cc1)[C@H](C)N TS08092 [1,1,0,0,0,0|0,0,0]=2 754 B10R1.13 Cc1ccc(nc1)C(C)N TS37026 [1,1,0,0,0,0|1,0,0]=3 755 B10R1.13 c1cc(ccc1C(=N)N)Br TS09590 [1,1,0,0,0,0|1,0,1]=4 756 B10R1.13 c1cc(ccc1C(=N)N)Br TS39740 [1,1,0,0,0,0|1,0,1]=4 757 B10R1.13 c1cc(ccc1C(=N)N)Cl TS33150 [1,1,0,0,0,0|1,0,1]=4 758 B10R1.13 c1cc(ccc1C(=N)N)Cl TS54571 [1,1,0,0,0,0|1,0,1]=4 759 B10R1.13 c1cc(ccc1C(=N)N)Cl TS71058 [1,1,0,0,0,0|1,0,1]=4 760 B10R1.13 c1cc(ccc1C(=N)N)F TS03080 [1,1,0,0,0,0|1,0,1]=4 761 B10R1.13 c1cc(ccc1C(=N)N)I TS54570 [1,1,0,0,0,0|1,0,1]=4 762 B10R1.13 c1cc(ccc1C(=N)N)N TS45388 [1,1,0,0,0,0|1,0,1]=4 763 B10R1.13 c1cc(ccc1C(=N)N)N TS70909 [1,1,0,0,0,0|1,0,1]=4 764 B10R1.13 c1cc(ccc1C(=N)N)O TS59618 [1,1,0,0,0,0|1,0,1]=4 765 B10R1.13 c1cc(ccc1C(=O)N)Br TS18936 [1,1,0,0,0,0|1,0,1]=4 766 B10R1.13 c1cc(ccc1C(=O)N)Cl TS10614 [1,1,0,0,0,0|1,0,1]=4 767 B10R1.13 c1cc(ccc1C(=O)N)F TS37268 [1,1,0,0,0,0|1,0,1]=4 768 B10R1.13 c1cc(ccc1C(=O)N)I TS71195 [1,1,0,0,0,0|1,0,1]=4 769 B10R1.13 c1cc(ccc1C(=O)N)N TS39733 [1,1,0,0,0,0|1,0,1]=4 770 B10R1.13 c1cc(ccc1C(=O)N)O TS71168 [1,1,0,0,0,0|1,0,1]=4 771 B10R1.13 c1cc(ccc1C(=S)N)Br TS21979 [1,1,0,0,0,0|1,0,1]=4 772 B10R1.13 c1cc(ccc1C(=S)N)Cl TS09015 [1,1,0,0,0,0|1,0,1]=4 773 B10R1.13 c1cc(ccc1C(=S)N)F TS41515 [1,1,0,0,0,0|1,0,1]=4 774 B10R1.13 c1cc(ccc1C(=S)N)N TS10202 [1,1,0,0,0,0|1,0,1]=4 775 B10R1.13 c1cc(ccc1C(=S)N)O TS03140 [1,1,0,0,0,0|1,0,1]=4 776 B10R1.13 c1cc(ccc1C(Cl)Cl)Cl TS52070 [1,1,0,0,0,0|2,0,0]=4 777 B10R1.13 c1cc(ccc1C(Cl)Cl)F TS47663 [1,1,0,0,0,0|2,0,0]=4 778 B10R1.13 c1cc(ccc1C(F)F)Br TS00409 [1,1,0,0,0,0|2,0,0]=4 779 B10R1.28 CC(C)(C)c1ccccc1 TS36860 [1,1,0,0,0,0|0,0,0]=2 780 B10R1.28 CC(C)(C)c1ccccn1 TS06013 [1,1,0,0,0,0|1,0,0]=3 781 B10R1.28 CC(C)(C)c1ccncc1 TS02251 [1,1,0,0,0,0|1,0,0]=3 782 B10R1.28 CC(C)(C)c1cnccn1 TS37029 [1,1,0,0,0,0|2,0,0]=4 783 B10R1.28 CC(C)(c1ccccc1)Cl TS55727 [1,1,0,0,0,0|0,0,0]=2 784 B10R1.28 CC(C)(c1ccccc1)N TS01396 [1,1,0,0,0,0|0,0,0]=2 785 B10R1.28 CC(C)(c1ccccc1)O TS37014 [1,1,0,0,0,0|0,0,0]=2 786 B10R1.28 CC(C)(c1ccccc1)S TS41195 [1,1,0,0,0,0|0,0,0]=2 787 B10R1.28 CC(C)(c1ccccn1)O TS37126 [1,1,0,0,0,0|1,0,0]=3 788 B10R1.28 CC(C)(c1cccnc1)N TS06108 [1,1,0,0,0,0|1,0,0]=3 789 B10R1.28 CC(C)(c1ccncc1)O TS37127 [1,1,0,0,0,0|1,0,0]=3 790 B10R1.28 CP(=O)(c1ccccc1)O TS10652 [1,1,0,0,0,0|2,0,0]=4 791 B10R1.28 CS(=N)(=O)c1ccccc1 TS10592 [1,1,0,0,0,0|1,0,1]=4 792 B10R1.28 CS(=N)(=O)c1ccccc1 TS10595 [1,1,0,0,0,0|1,0,1]=4 793 B10R1.28 CS(=O)(=O)c1ccccc1 TS10691 [1,1,0,0,0,0|2,0,0]=4 794 B10R1.28 C[Ge](C)(C)c1ccccc1 TS17979 [1,1,0,0,0,0|0,1,0]=3 795 B10R1.28 C[Ge](C)(c1ccccc1)Cl TS44679 [1,1,0,0,0,0|0,1,0]=3 796 B10R1.28 C[N+](C)(C)c1ccccc1 TS13087 [1,1,0,0,0,0|1,0,0]=3 797 B10R1.28 C[N+](C)(C)c1ccccc1 TS21988 [1,1,0,0,0,0|1,0,0]=3 798 B10R1.28 C[N+](C)(C)c1ccccc1 TS27630 [1,1,0,0,0,0|1,0,0]=3 799 B10R1.28 C[N+](C)(C)c1ccccc1 TS41300 [1,1,0,0,0,0|1,0,0]=3 800 B10R1.28 C[Si](C)(C)c1ccccc1 TS40935 [1,1,0,0,0,0|0,1,0]=3 801 B10R1.28 C[Si](C)(C)c1ccccn1 TS39243 [1,1,0,0,0,0|1,1,0]=4 802 B10R1.28 C[Si](C)(c1ccccc1)Cl TS12944 [1,1,0,0,0,0|0,1,0]=3 803 B10R1.28 C[Si](C)(c1ccccc1)F TS41455 [1,1,0,0,0,0|0,1,0]=3 804 B10R1.28 C[Sn](C)(C)c1ccccc1 TS57483 [1,1,0,0,0,0|1,0,0]=3 805 B10R1.28 C[Sn](C)(C)c1ccccn1 TS57632 [1,1,0,0,0,0|2,0,0]=4 806 B10R1.28 C[Sn](C)(C)c1ccncc1 TS57631 [1,1,0,0,0,0|2,0,0]=4 807 B10R1.28 c1ccc(cc1)C(Cl)(Cl)Cl TS52078 [1,1,0,0,0,0|2,0,0]=4 808 B10R1.28 c1ccc(cc1)C(F)(F)F TS40366 [1,1,0,0,0,0|2,0,0]=4 809 B10R1.28 c1ccc(cc1)S(=O)(=O)N TS39806 [1,1,0,0,0,0|2,0,0]=4 810 B10R1.61 CC(=C)c1ccccc1N TS36780 [1,1,0,0,0,0|0,0,2]=4 811 B10R1.61 CC(=O)c1ccccc1Br TS54149 [1,1,0,0,0,0|1,0,1]=4 812 B10R1.61 CC(=O)c1ccccc1Cl TS39571 [1,1,0,0,0,0|1,0,1]=4 813 B10R1.61 CC(=O)c1ccccc1F TS37171 [1,1,0,0,0,0|1,0,1]=4 814 B10R1.61 CC(=O)c1ccccc1I TS62238 [1,1,0,0,0,0|1,0,1]=4 815 B10R1.61 CC(=O)c1ccccc1O TS01063 [1,1,0,0,0,0|1,0,1]=4 816 B10R1.61 CC(C)c1ccccc1Br TS46918 [1,1,0,0,0,0|0,0,0]=2 817 B10R1.61 CC(C)c1ccccc1F TS06286 [1,1,0,0,0,0|0,0,0]=2 818 B10R1.61 CC(C)c1ccccc1I TS27403 [1,1,0,0,0,0|0,0,0]=2 819 B10R1.61 CC(C)c1ccccc1N TS06016 [1,1,0,0,0,0|0,0,0]=2 820 B10R1.61 CC(C)c1ccccc1O TS06094 [1,1,0,0,0,0|0,0,0]=2 821 B10R1.61 CC(C)c1ccccc1S TS41199 [1,1,0,0,0,0|0,0,0]=2 822 B10R1.61 CC(C)c1ccccc1[Zn+] TS60954 [1,1,0,0,0,0|0,0,0]=2 823 B10R1.61 CC(c1c(cccn1)F)O TS06577 [1,1,0,0,0,0|2,0,0]=4 824 B10R1.61 CC(c1ccccc1Br)O TS38045 [1,1,0,0,0,0|1,0,0]=3 825 B10R1.61 CC(c1ccccc1Cl)N TS10635 [1,1,0,0,0,0|0,0,0]=2 826 B10R1.61 CC(c1ccccc1Cl)O TS41730 [1,1,0,0,0,0|1,0,0]=3 827 B10R1.61 CC(c1ccccc1F)N TS37297 [1,1,0,0,0,0|0,0,0]=2 828 B10R1.61 CC(c1ccccc1F)O TS08150 [1,1,0,0,0,0|1,0,0]=3 829 B10R1.61 CC(c1cccnc1Br)N TS19152 [1,1,0,0,0,0|1,0,0]=3 830 B10R1.61 CC(c1cccnc1N)O TS37203 [1,1,0,0,0,0|2,0,0]=4 831 B10R1.61 CN(C)c1ccccc1Br TS37850 [1,1,0,0,0,0|1,0,0]=3 832 B10R1.61 CN(C)c1ccccc1Cl TS10629 [1,1,0,0,0,0|1,0,0]=3 833 B10R1.61 CN(C)c1ccccc1F TS37299 [1,1,0,0,0,0|1,0,0]=3 834 B10R1.61 CN(C)c1ccncc1Br TS19155 [1,1,0,0,0,0|2,0,0]=4 835 B10R1.61 CS(=O)c1ccccc1O TS41630 [1,1,0,0,0,0|2,0,0]=4 836 B10R1.61 C[C@@H](c1ccccc1Br)O TS38041 [1,1,0,0,0,0|1,0,0]=3 837 B10R1.61 C[C@@H](c1ccccc1Cl)O TS41717 [1,1,0,0,0,0|1,0,0]=3 838 B10R1.61 C[C@@H](c1ccccc1F)N TS08101 [1,1,0,0,0,0|0,0,0]=2 839 B10R1.61 C[C@@H](c1ccccc1F)O TS06459 [1,1,0,0,0,0|1,0,0]=3 840 B10R1.61 C[C@H](c1ccccc1Cl)N TS51402 [1,1,0,0,0,0|0,0,0]=2 841 B10R1.61 C[C@H](c1ccccc1Cl)O TS10795 [1,1,0,0,0,0|1,0,0]=3 842 B10R1.61 C[C@H](c1ccccc1F)N TS08914 [1,1,0,0,0,0|0,0,0]=2 843 B10R1.61 C[C@H](c1ccccc1F)O TS37366 [1,1,0,0,0,0|1,0,0]=3 844 B10R1.61 Cc1ccccc1C(=C)C TS05768 [1,1,0,0,0,0|0,0,2]=4 845 B10R1.61 Cc1ccccc1C(=N)N TS12937 [1,1,0,0,0,0|1,0,1]=4 846 B10R1.61 Cc1ccccc1C(=O)C TS36852 [1,1,0,0,0,0|1,0,1]=4 847 B10R1.61 Cc1ccccc1C(=O)N TS36917 [1,1,0,0,0,0|1,0,1]=4 848 B10R1.61 Cc1ccccc1C(=S)N TS41052 [1,1,0,0,0,0|1,0,1]=4 849 B10R1.61 Cc1ccccc1C(C)N TS36951 [1,1,0,0,0,0|0,0,0]=2 850 B10R1.61 Cc1ccccc1C(C)O TS37021 [1,1,0,0,0,0|1,0,0]=3 851 B10R1.61 Cc1ccccc1N(C)C TS06004 [1,1,0,0,0,0|1,0,0]=3 852 B10R1.61 Cc1ccccc1[C@@H](C)N TS45398 [1,1,0,0,0,0|0,0,0]=2 853 B10R1.61 Cc1ccccc1[C@H](C)N TS45395 [1,1,0,0,0,0|0,0,0]=2 854 B10R1.61 c1ccc(c(c1)C(=N)N)F TS01020 [1,1,0,0,0,0|1,0,1]=4 855 B10R1.61 c1ccc(c(c1)C(=O)N)Br TS18931 [1,1,0,0,0,0|1,0,1]=4 856 B10R1.61 c1ccc(c(c1)C(=O)N)Cl TS41556 [1,1,0,0,0,0|1,0,1]=4 857 B10R1.61 c1ccc(c(c1)C(=O)N)F TS37265 [1,1,0,0,0,0|1,0,1]=4 858 B10R1.61 c1ccc(c(c1)C(=O)N)I TS62383 [1,1,0,0,0,0|1,0,1]=4 859 B10R1.61 c1ccc(c(c1)C(=O)N)N TS06064 [1,1,0,0,0,0|1,0,1]=4 860 B10R1.61 c1ccc(c(c1)C(=O)N)O TS37091 [1,1,0,0,0,0|1,0,1]=4 861 B10R1.61 c1ccc(c(c1)C(=S)N)Br TS21981 [1,1,0,0,0,0|1,0,1]=4 862 B10R1.61 c1ccc(c(c1)C(=S)N)Cl TS45393 [1,1,0,0,0,0|1,0,1]=4 863 B10R1.61 c1ccc(c(c1)C(=S)N)F TS41513 [1,1,0,0,0,0|1,0,1]=4 864 B10R1.61 c1ccc(c(c1)C(=S)N)N TS41176 [1,1,0,0,0,0|1,0,1]=4 865 B10R1.61 c1ccc(c(c1)C(=S)N)O TS41285 [1,1,0,0,0,0|1,0,1]=4 866 B10R1.61 c1ccc(c(c1)C(Cl)Cl)F TS47662 [1,1,0,0,0,0|2,0,0]=4 867 B10R1.61 c1ccc(c(c1)C(F)F)Br TS59895 [1,1,0,0,0,0|2,0,0]=4 868 B10R1.113 CC(=O)c1cccc(c1)Br TS09476 [1,1,0,0,0,0|1,0,1]=4 869 B10R1.113 CC(=O)c1cccc(c1)Cl TS41457 [1,1,0,0,0,0|1,0,1]=4 870 B10R1.113 CC(=O)c1cccc(c1)F TS39433 [1,1,0,0,0,0|1,0,1]=4 871 B10R1.113 CC(=O)c1cccc(c1)I TS02811 [1,1,0,0,0,0|1,0,1]=4 872 B10R1.113 CC(=O)c1cccc(c1)N TS36932 [1,1,0,0,0,0|1,0,1]=4 873 B10R1.113 CC(=O)c1cccc(c1)O TS70618 [1,1,0,0,0,0|1,0,1]=4 874 B10R1.113 CC(C)c1cccc(c1)Br TS54165 [1,1,0,0,0,0|0,0,0]=2 875 B10R1.113 CC(C)c1cccc(c1)N TS36962 [1,1,0,0,0,0|0,0,0]=2 876 B10R1.113 CC(C)c1cccc(c1)O TS06076 [1,1,0,0,0,0|0,0,0]=2 877 B10R1.113 CC(C)c1cccc(n1)Cl TS55266 [1,1,0,0,0,0|1,0,0]=3 878 B10R1.113 CC(C)c1cccc(n1)N TS01246 [1,1,0,0,0,0|1,0,0]=3 879 B10R1.113 CC(c1cccc(c1)Br)N TS37847 [1,1,0,0,0,0|0,0,0]=2 880 B10R1.113 CC(c1cccc(c1)Br)O TS38052 [1,1,0,0,0,0|1,0,0]=3 881 B10R1.113 CC(c1cccc(c1)Cl)O TS41713 [1,1,0,0,0,0|1,0,0]=3 882 B10R1.113 CC(c1cccc(c1)F)N TS37298 [1,1,0,0,0,0|0,0,0]=2 883 B10R1.113 CC(c1cccc(c1)F)O TS37373 [1,1,0,0,0,0|1,0,0]=3 884 B10R1.113 CC(c1cccc(c1)N)N TS37034 [1,1,0,0,0,0|0,0,0]=2 885 B10R1.113 CC(c1cccc(c1)N)O TS37125 [1,1,0,0,0,0|1,0,0]=3 886 B10R1.113 CN(C)c1cccc(c1)Br TS37848 [1,1,0,0,0,0|1,0,0]=3 887 B10R1.113 CN(C)c1cccc(c1)Cl TS10632 [1,1,0,0,0,0|1,0,0]=3 888 B10R1.113 CN(C)c1cccc(c1)N TS20698 [1,1,0,0,0,0|1,0,0]=3 889 B10R1.113 CN(C)c1cccc(c1)O TS06190 [1,1,0,0,0,0|1,0,0]=3 890 B10R1.113 CN(C)c1cccc(c1)S TS10347 [1,1,0,0,0,0|1,0,0]=3 891 B10R1.113 C[C@@H](c1cccc(c1)Br)O TS38053 [1,1,0,0,0,0|1,0,0]=3 892 B10R1.113 C[C@@H](c1cccc(c1)Cl)N TS08102 [1,1,0,0,0,0|0,0,0]=2 893 B10R1.113 C[C@@H](c1cccc(c1)F)N TS08103 [1,1,0,0,0,0|0,0,0]=2 894 B10R1.113 C[C@@H](c1cccc(c1)F)N TS13761 [1,1,0,0,0,0|0,0,0]=2 895 B10R1.113 C[C@H](c1cccc(c1)Br)O TS38040 [1,1,0,0,0,0|1,0,0]=3 896 B10R1.113 C[C@H](c1cccc(c1)Cl)N TS46592 [1,1,0,0,0,0|0,0,0]=2 897 B10R1.113 C[C@H](c1cccc(c1)F)N TS46593 [1,1,0,0,0,0|0,0,0]=2 898 B10R1.113 C[C@H](c1cccc(c1)N)N TS06099 [1,1,0,0,0,0|0,0,0]=2 899 B10R1.113 Cc1cccc(c1)C(=N)N TS12936 [1,1,0,0,0,0|1,0,1]=4 900 B10R1.113 Cc1cccc(c1)C(=O)C TS01793 [1,1,0,0,0,0|1,0,1]=4 901 B10R1.113 Cc1cccc(c1)C(=O)N TS36933 [1,1,0,0,0,0|1,0,1]=4 902 B10R1.113 Cc1cccc(c1)C(=S)N TS41054 [1,1,0,0,0,0|1,0,1]=4 903 B10R1.113 Cc1cccc(c1)C(C)O TS37016 [1,1,0,0,0,0|1,0,0]=3 904 B10R1.113 Cc1cccc(c1)N(C)C TS36944 [1,1,0,0,0,0|1,0,0]=3 905 B10R1.113 Cc1cccc(c1)N(C)N TS37033 [1,1,0,0,0,0|1,0,0]=3 906 B10R1.113 Cc1cccc(c1)[C@@H](C)N TS45396 [1,1,0,0,0,0|0,0,0]=2 907 B10R1.113 Cc1cccc(c1)[C@H](C)N TS45397 [1,1,0,0,0,0|0,0,0]=2 908 B10R1.113 Cc1cccc(n1)C(C)N TS06109 [1,1,0,0,0,0|1,0,0]=3 909 B10R1.113 Cc1ccnc(c1)C(C)N TS37022 [1,1,0,0,0,0|1,0,0]=3 910 B10R1.113 c1cc(cc(c1)Br)C(=N)N TS09478 [1,1,0,0,0,0|1,0,1]=4 911 B10R1.113 c1cc(cc(c1)Br)C(=N)N TS54155 [1,1,0,0,0,0|1,0,1]=4 912 B10R1.113 c1cc(cc(c1)Br)C(=O)N TS18933 [1,1,0,0,0,0|1,0,1]=4 913 B10R1.113 c1cc(cc(c1)Br)C(=S)N TS21980 [1,1,0,0,0,0|1,0,1]=4 914 B10R1.113 c1cc(cc(c1)Br)C(F)F TS59897 [1,1,0,0,0,0|2,0,0]=4 915 B10R1.113 c1cc(cc(c1)Cl)C(=N)N TS41463 [1,1,0,0,0,0|1,0,1]=4 916 B10R1.113 c1cc(cc(c1)Cl)C(=N)N TS51244 [1,1,0,0,0,0|1,0,1]=4 917 B10R1.113 c1cc(cc(c1)Cl)C(=O)N TS10611 [1,1,0,0,0,0|1,0,1]=4 918 B10R1.113 c1cc(cc(c1)Cl)C(=S)N TS45392 [1,1,0,0,0,0|1,0,1]=4 919 B10R1.113 c1cc(cc(c1)Cl)C(Br)Br TS34768 [1,1,0,0,0,0|2,0,0]=4 920 B10R1.113 c1cc(cc(c1)Cl)C(Cl)Cl TS52076 [1,1,0,0,0,0|2,0,0]=4 921 B10R1.113 c1cc(cc(c1)F)C(=N)N TS13606 [1,1,0,0,0,0|1,0,1]=4 922 B10R1.113 c1cc(cc(c1)F)C(=N)N TS37176 [1,1,0,0,0,0|1,0,1]=4 923 B10R1.113 c1cc(cc(c1)F)C(=O)N TS37271 [1,1,0,0,0,0|1,0,1]=4 924 B10R1.113 c1cc(cc(c1)F)C(=S)N TS41514 [1,1,0,0,0,0|1,0,1]=4 925 B10R1.113 c1cc(cc(c1)F)C(Br)Br TS30471 [1,1,0,0,0,0|2,0,0]=4 926 B10R1.113 c1cc(cc(c1)F)C(Cl)Cl TS47665 [1,1,0,0,0,0|2,0,0]=4 927 B10R1.113 c1cc(cc(c1)I)C(=O)N TS62384 [1,1,0,0,0,0|1,0,1]=4 928 B10R1.113 c1cc(cc(c1)I)C(=S)N TS29885 [1,1,0,0,0,0|1,0,1]=4 929 B10R1.113 c1cc(cc(c1)N)C(=N)N TS20481 [1,1,0,0,0,0|1,0,1]=4 930 B10R1.113 c1cc(cc(c1)N)C(=O)N TS60003 [1,1,0,0,0,0|1,0,1]=4 931 B10R1.113 c1cc(cc(c1)N)C(=S)N TS41179 [1,1,0,0,0,0|1,0,1]=4 932 B10R1.113 c1cc(cc(c1)O)C(=O)N TS70620 [1,1,0,0,0,0|1,0,1]=4 933 B10R1.113 c1cc(cc(c1)O)C(=S)N TS10338 [1,1,0,0,0,0|1,0,1]=4 934 B10R1.1 C=CCc1ccc(cc1)O TS36845 [1,1,0,0,0,0|1,0,1]=4 935 B10R1.1 CCCc1ccc(cc1)Br TS54164 [1,1,0,0,0,0|1,0,0]=3 936 B10R1.1 CCCc1ccc(cc1)C TS05929 [1,1,0,0,0,0|1,0,0]=3 937 B10R1.1 CCCc1ccc(cc1)Cl TS41466 [1,1,0,0,0,0|1,0,0]=3 938 B10R1.1 CCCc1ccc(cc1)F TS07665 [1,1,0,0,0,0|1,0,0]=3 939 B10R1.1 CCCc1ccc(cc1)I TS27402 [1,1,0,0,0,0|1,0,0]=3 940 B10R1.1 CCCc1ccc(cc1)N TS36955 [1,1,0,0,0,0|1,0,0]=3 941 B10R1.1 CCCc1ccc(cc1)O TS06088 [1,1,0,0,0,0|1,0,0]=3 942 B10R1.1 CCNc1ccc(cc1)C TS36952 [1,1,0,0,0,0|2,0,0]=4 943 B10R1.1 CCNc1ccc(cc1)Cl TS10637 [1,1,0,0,0,0|2,0,0]=4 944 B10R1.1 CCOc1ccc(cc1)Br TS38042 [1,1,0,0,0,0|2,0,0]=4 945 B10R1.1 CCOc1ccc(cc1)C TS06082 [1,1,0,0,0,0|2,0,0]=4 946 B10R1.1 CCOc1ccc(cc1)Cl TS41721 [1,1,0,0,0,0|2,0,0]=4 947 B10R1.1 CCOc1ccc(cc1)F TS37363 [1,1,0,0,0,0|2,0,0]=4 948 B10R1.1 CCOc1ccc(cc1)I TS59517 [1,1,0,0,0,0|2,0,0]=4 949 B10R1.1 CCOc1ccc(cc1)N TS33162 [1,1,0,0,0,0|2,0,0]=4 950 B10R1.1 CCOc1ccc(cc1)N TS45702 [1,1,0,0,0,0|2,0,0]=4 951 B10R1.1 CCOc1ccc(cc1)O TS06257 [1,1,0,0,0,0|2,0,0]=4 952 B10R1.1 CCSc1ccc(cc1)Br TS49222 [1,1,0,0,0,0|2,0,0]=4 953 B10R1.1 CCSc1ccc(cc1)Cl TS13282 [1,1,0,0,0,0|2,0,0]=4 954 B10R1.1 CNCc1ccc(cc1)Cl TS08033 [1,1,0,0,0,0|2,0,0]=4 955 B10R1.1 COCc1ccc(cc1)F TS37375 [1,1,0,0,0,0|2,0,0]=4 956 B10R1.1 CSCc1ccc(cc1)Cl TS13281 [1,1,0,0,0,0|2,0,0]=4 957 B10R1.1 Cc1ccc(cc1)CC#N TS03175 [1,1,0,0,0,0|0,0,2]=4 958 B10R1.1 Cc1ccc(cc1)CC=C TS05765 [1,1,0,0,0,0|1,0,1]=4 959 B10R1.1 Cc1ccc(cc1)CC=O TS59814 [1,1,0,0,0,0|1,0,1]=4 960 B10R1.1 Cc1ccc(cc1)CCBr TS18768 [1,1,0,0,0,0|1,0,0]=3 961 B10R1.1 Cc1ccc(cc1)CCN TS36945 [1,1,0,0,0,0|0,0,0]=2 962 B10R1.1 Cc1ccc(cc1)CCO TS06073 [1,1,0,0,0,0|1,0,0]=3 963 B10R1.1 Cc1ccc(cc1)CNC TS01603 [1,1,0,0,0,0|2,0,0]=4 964 B10R1.1 Cc1ccc(cc1)SCCl TS13278 [1,1,0,0,0,0|2,0,0]=4 965 B10R1.1 Cc1ccc(cn1)CCO TS06184 [1,1,0,0,0,0|2,0,0]=4 966 B10R1.1 [C-]#[N+]Cc1ccc(cc1)Br TS18167 [1,1,0,0,0,0|2,0,0]=4 967 B10R1.1 [C-]#[N+]Cc1ccc(cc1)Cl TS41066 [1,1,0,0,0,0|2,0,0]=4 968 B10R1.1 c1cc(ccc1CC#N)Br TS71003 [1,1,0,0,0,0|0,0,2]=4 969 B10R1.1 c1cc(ccc1CC#N)Cl TS39554 [1,1,0,0,0,0|0,0,2]=4 970 B10R1.1 c1cc(ccc1CC#N)F TS09126 [1,1,0,0,0,0|0,0,2]=4 971 B10R1.1 c1cc(ccc1CC#N)I TS09719 [1,1,0,0,0,0|0,0,2]=4 972 B10R1.1 c1cc(ccc1CC#N)N TS05748 [1,1,0,0,0,0|0,0,2]=4 973 B10R1.1 c1cc(ccc1CC#N)N TS12627 [1,1,0,0,0,0|0,0,2]=4 974 B10R1.1 c1cc(ccc1CC#N)O TS59576 [1,1,0,0,0,0|0,0,2]=4 975 B10R1.1 c1cc(ccc1CC=O)Br TS59562 [1,1,0,0,0,0|1,0,1]=4 976 B10R1.1 c1cc(ccc1CC=O)Cl TS08034 [1,1,0,0,0,0|1,0,1]=4 977 B10R1.1 c1cc(ccc1CC=O)F TS47060 [1,1,0,0,0,0|1,0,1]=4 978 B10R1.1 c1cc(ccc1CC=O)N TS36921 [1,1,0,0,0,0|1,0,1]=4 979 B10R1.1 c1cc(ccc1CC=O)O TS36982 [1,1,0,0,0,0|1,0,1]=4 980 B10R1.1 c1cc(ccc1CCBr)Br TS71001 [1,1,0,0,0,0|1,0,0]=3 981 B10R1.1 c1cc(ccc1CCBr)Cl TS08144 [1,1,0,0,0,0|1,0,0]=3 982 B10R1.1 c1cc(ccc1CCBr)F TS38380 [1,1,0,0,0,0|1,0,0]=3 983 B10R1.1 c1cc(ccc1CCBr)O TS38051 [1,1,0,0,0,0|1,0,0]=3 984 B10R1.1 c1cc(ccc1CCCl)F TS11092 [1,1,0,0,0,0|1,0,0]=3 985 B10R1.1 c1cc(ccc1CCN)Br TS34272 [1,1,0,0,0,0|0,0,0]=2 986 B10R1.1 c1cc(ccc1CCN)Br TS71000 [1,1,0,0,0,0|0,0,0]=2 987 B10R1.1 c1cc(ccc1CCN)Cl TS10636 [1,1,0,0,0,0|0,0,0]=2 988 B10R1.1 c1cc(ccc1CCN)Cl TS51403 [1,1,0,0,0,0|0,0,0]=2 989 B10R1.1 c1cc(ccc1CCN)F TS03097 [1,1,0,0,0,0|0,0,0]=2 990 B10R1.1 c1cc(ccc1CCN)F TS13760 [1,1,0,0,0,0|0,0,0]=2 991 B10R1.1 c1cc(ccc1CCN)I TS27555 [1,1,0,0,0,0|0,0,0]=2 992 B10R1.1 c1cc(ccc1CCN)N TS09521 [1,1,0,0,0,0|0,0,0]=2 993 B10R1.1 c1cc(ccc1CCN)N TS37024 [1,1,0,0,0,0|0,0,0]=2 994 B10R1.1 c1cc(ccc1CCN)O TS01822 [1,1,0,0,0,0|0,0,0]=2 995 B10R1.1 c1cc(ccc1CCN)O TS39727 [1,1,0,0,0,0|0,0,0]=2 996 B10R1.1 c1cc(ccc1CCO)Br TS16460 [1,1,0,0,0,0|1,0,0]=3 997 B10R1.1 c1cc(ccc1CCO)Cl TS10797 [1,1,0,0,0,0|1,0,0]=3 998 B10R1.1 c1cc(ccc1CCO)F TS39509 [1,1,0,0,0,0|1,0,0]=3 999 B10R1.1 c1cc(ccc1CCO)N TS39616 [1,1,0,0,0,0|1,0,0]=3 1000 B10R1.1 c1cc(ccc1CCO)O TS47066 [1,1,0,0,0,0|1,0,0]=3 1001 B10R1.1 c1cc(ccc1CNN)Br TS91149 [1,1,0,0,0,0|1,0,0]=3 1002 B10R1.1 c1cc(ccc1CNN)Cl TS90344 [1,1,0,0,0,0|1,0,0]=3 1003 B10R1.1 c1cc(ccc1CNN)F TS88239 [1,1,0,0,0,0|1,0,0]=3 1004 B10R1.1 c1cc(ccc1CNN)F TS94903 [1,1,0,0,0,0|1,0,0]=3 1005 B10R1.1 c1cc(ccc1CO[NH3+])Cl TS39582 [1,1,0,0,0,0|1,0,1]=4 1006 B10R1.1 c1cc(ccc1CO[NH3+])F TS93852 [1,1,0,0,0,0|1,0,1]=4 1007 B10R1.1 c1cc(ncc1Br)CCN TS88073 [1,1,0,0,0,0|1,0,0]=3 1008 B10R1.1 c1cc(ncc1Br)CCO TS86702 [1,1,0,0,0,0|2,0,0]=4 1009 B10R1.4 C=CCc1ccccc1Cl TS41221 [1,1,0,0,0,0|1,0,1]=4 1010 B10R1.4 C=CCc1ccccc1O TS36846 [1,1,0,0,0,0|1,0,1]=4 1011 B10R1.4 CCCc1ccccc1C TS05927 [1,1,0,0,0,0|1,0,0]=3 1012 B10R1.4 CCCc1ccccc1N TS36961 [1,1,0,0,0,0|1,0,0]=3 1013 B10R1.4 CCCc1ccccc1O TS06077 [1,1,0,0,0,0|1,0,0]=3 1014 B10R1.4 CCCn1ccccc1=O TS37115 [1,1,0,0,0,0|2,0,0]=4 1015 B10R1.4 CCNc1ccccc1C TS06011 [1,1,0,0,0,0|2,0,0]=4 1016 B10R1.4 CCNc1ccccc1F TS37294 [1,1,0,0,0,0|2,0,0]=4 1017 B10R1.4 CCOc1ccccc1Br TS39657 [1,1,0,0,0,0|2,0,0]=4 1018 B10R1.4 CCOc1ccccc1Cl TS41727 [1,1,0,0,0,0|2,0,0]=4 1019 B10R1.4 CCOc1ccccc1F TS37374 [1,1,0,0,0,0|2,0,0]=4 1020 B10R1.4 CCOc1ccccc1N TS37118 [1,1,0,0,0,0|2,0,0]=4 1021 B10R1.4 CCOc1ccccc1N TS45700 [1,1,0,0,0,0|2,0,0]=4 1022 B10R1.4 CCOc1ccccc1O TS06253 [1,1,0,0,0,0|2,0,0]=4 1023 B10R1.4 CCOc1ccccc1S TS41408 [1,1,0,0,0,0|2,0,0]=4 1024 B10R1.4 CCSc1ccccc1Br TS49221 [1,1,0,0,0,0|2,0,0]=4 1025 B10R1.4 CCSc1ccccc1O TS41412 [1,1,0,0,0,0|2,0,0]=4 1026 B10R1.4 CNCc1ccccc1Cl TS56333 [1,1,0,0,0,0|2,0,0]=4 1027 B10R1.4 CNCc1ccccc1O TS45699 [1,1,0,0,0,0|2,0,0]=4 1028 B10R1.4 COCc1ccccc1F TS37369 [1,1,0,0,0,0|2,0,0]=4 1029 B10R1.4 Cc1c(cccn1)CCO TS37129 [1,1,0,0,0,0|2,0,0]=4 1030 B10R1.4 Cc1ccccc1CC#N TS05669 [1,1,0,0,0,0|0,0,2]=4 1031 B10R1.4 Cc1ccccc1CC=C TS05766 [1,1,0,0,0,0|1,0,1]=4 1032 B10R1.4 Cc1ccccc1CCBr TS54167 [1,1,0,0,0,0|1,0,0]=3 1033 B10R1.4 Cc1ccccc1CCO TS37017 [1,1,0,0,0,0|1,0,0]=3 1034 B10R1.4 Cc1ccccc1CNC TS36965 [1,1,0,0,0,0|2,0,0]=4 1035 B10R1.4 [C-]#[N+]Cc1ccccc1Cl TS41069 [1,1,0,0,0,0|2,0,0]=4 1036 B10R1.4 c1cc(c(nc1)CCN)Br TS86650 [1,1,0,0,0,0|1,0,0]=3 1037 B10R1.4 c1ccc(c(c1)C=NN)O TS06061 [1,1,0,0,0,0|1,0,1]=4 1038 B10R1.4 c1ccc(c(c1)CC#N)Br TS00857 [1,1,0,0,0,0|0,0,2]=4 1039 B10R1.4 c1ccc(c(c1)CC#N)Cl TS02146 [1,1,0,0,0,0|0,0,2]=4 1040 B10R1.4 c1ccc(c(c1)CC#N)F TS65431 [1,1,0,0,0,0|0,0,2]=4 1041 B10R1.4 c1ccc(c(c1)CC#N)I TS01084 [1,1,0,0,0,0|0,0,2]=4 1042 B10R1.4 c1ccc(c(c1)CC#N)N TS47469 [1,1,0,0,0,0|0,0,2]=4 1043 B10R1.4 c1ccc(c(c1)CCBr)Cl TS55287 [1,1,0,0,0,0|1,0,0]=3 1044 B10R1.4 c1ccc(c(c1)CCBr)F TS01032 [1,1,0,0,0,0|1,0,0]=3 1045 B10R1.4 c1ccc(c(c1)CCN)Br TS37849 [1,1,0,0,0,0|0,0,0]=2 1046 B10R1.4 c1ccc(c(c1)CCN)Cl TS10628 [1,1,0,0,0,0|0,0,0]=2 1047 B10R1.4 c1ccc(c(c1)CCN)F TS37288 [1,1,0,0,0,0|0,0,0]=2 1048 B10R1.4 c1ccc(c(c1)CCN)F TS37293 [1,1,0,0,0,0|0,0,0]=2 1049 B10R1.4 c1ccc(c(c1)CCN)N TS06107 [1,1,0,0,0,0|0,0,0]=2 1050 B10R1.4 c1ccc(c(c1)CCN)O TS37108 [1,1,0,0,0,0|0,0,0]=2 1051 B10R1.4 c1ccc(c(c1)CCO)Br TS38054 [1,1,0,0,0,0|1,0,0]=3 1052 B10R1.4 c1ccc(c(c1)CCO)Cl TS41724 [1,1,0,0,0,0|1,0,0]=3 1053 B10R1.4 c1ccc(c(c1)CCO)F TS37364 [1,1,0,0,0,0|1,0,0]=3 1054 B10R1.4 c1ccc(c(c1)CCO)N TS37117 [1,1,0,0,0,0|1,0,0]=3 1055 B10R1.4 c1ccc(c(c1)CCO)O TS55402 [1,1,0,0,0,0|1,0,0]=3 1056 B10R1.4 c1ccc(c(c1)CNN)Br TS89985 [1,1,0,0,0,0|1,0,0]=3 1057 B10R1.4 c1ccc(c(c1)CNN)Cl TS90343 [1,1,0,0,0,0|1,0,0]=3 1058 B10R1.4 c1ccc(c(c1)CNN)F TS88873 [1,1,0,0,0,0|1,0,0]=3 1059 B10R1.4 c1ccc(c(c1)CNN)F TS94875 [1,1,0,0,0,0|1,0,0]=3 1060 B10R1.4 c1ccc(c(c1)CON)F TS93890 [1,1,0,0,0,0|1,0,0]=3 1061 B10R1.4 c1ccc(c(c1)CON)I TS94168 [1,1,0,0,0,0|1,0,0]=3 1062 B10R1.4 c1ccc(c(c1)CO[NH3+])Br TS26271 [1,1,0,0,0,0|1,0,1]=4 1063 B10R1.4 c1ccc(c(c1)CO[NH3+])Cl TS17764 [1,1,0,0,0,0|1,0,1]=4 1064 B10R1.10 C=CCc1cccc(c1)F TS36995 [1,1,0,0,0,0|1,0,1]=4 1065 B10R1.10 CCCc1cccc(c1)C TS36863 [1,1,0,0,0,0|1,0,0]=3 1066 B10R1.10 CCCc1cccc(c1)O TS70692 [1,1,0,0,0,0|1,0,0]=3 1067 B10R1.10 CCCc1cccc(n1)N TS55636 [1,1,0,0,0,0|2,0,0]=4 1068 B10R1.10 CCCc1ccnc(c1)N TS06105 [1,1,0,0,0,0|2,0,0]=4 1069 B10R1.10 CCNc1cccc(c1)C TS06008 [1,1,0,0,0,0|2,0,0]=4 1070 B10R1.10 CCOc1cccc(c1)Br TS65957 [1,1,0,0,0,0|2,0,0]=4 1071 B10R1.10 CCOc1cccc(c1)C TS06098 [1,1,0,0,0,0|2,0,0]=4 1072 B10R1.10 CCOc1cccc(c1)F TS37372 [1,1,0,0,0,0|2,0,0]=4 1073 B10R1.10 CCOc1cccc(c1)N TS37121 [1,1,0,0,0,0|2,0,0]=4 1074 B10R1.10 CCOc1cccc(c1)O TS06261 [1,1,0,0,0,0|2,0,0]=4 1075 B10R1.10 CCOc1cccc(c1)S TS41409 [1,1,0,0,0,0|2,0,0]=4 1076 B10R1.10 CNCc1cccc(c1)Cl TS08974 [1,1,0,0,0,0|2,0,0]=4 1077 B10R1.10 CNCc1cccc(c1)N TS37043 [1,1,0,0,0,0|2,0,0]=4 1078 B10R1.10 COCc1cccc(c1)F TS37370 [1,1,0,0,0,0|2,0,0]=4 1079 B10R1.10 Cc1cccc(c1)CC#N TS05673 [1,1,0,0,0,0|0,0,2]=4 1080 B10R1.10 Cc1cccc(c1)CCBr TS54163 [1,1,0,0,0,0|1,0,0]=3 1081 B10R1.10 Cc1cccc(c1)CCN TS45399 [1,1,0,0,0,0|0,0,0]=2 1082 B10R1.10 Cc1cccc(c1)CCN TS70669 [1,1,0,0,0,0|0,0,0]=2 1083 B10R1.10 Cc1cccc(c1)CCO TS37008 [1,1,0,0,0,0|1,0,0]=3 1084 B10R1.10 Cc1cccc(c1)CNC TS36964 [1,1,0,0,0,0|2,0,0]=4 1085 B10R1.10 Cc1cccc(n1)CCO TS37109 [1,1,0,0,0,0|2,0,0]=4 1086 B10R1.10 c1c(cncc1Br)CNN TS92508 [1,1,0,0,0,0|2,0,0]=4 1087 B10R1.10 c1cc(cc(c1)Br)CC#N TS09489 [1,1,0,0,0,0|0,0,2]=4 1088 B10R1.10 c1cc(cc(c1)Br)CCN TS09479 [1,1,0,0,0,0|0,0,0]=2 1089 B10R1.10 c1cc(cc(c1)Br)CCN TS37842 [1,1,0,0,0,0|0,0,0]=2 1090 B10R1.10 c1cc(cc(c1)Br)CCO TS65956 [1,1,0,0,0,0|1,0,0]=3 1091 B10R1.10 c1cc(cc(c1)Br)CNN TS85618 [1,1,0,0,0,0|1,0,0]=3 1092 B10R1.10 c1cc(cc(c1)Br)CON TS26272 [1,1,0,0,0,0|1,0,0]=3 1093 B10R1.10 c1cc(cc(c1)Br)C[Mg]Br TS33588 [1,1,0,0,0,0|2,0,0]=4 1094 B10R1.10 c1cc(cc(c1)Cl)CC#N TS01789 [1,1,0,0,0,0|0,0,2]=4 1095 B10R1.10 c1cc(cc(c1)Cl)CC=O TS10528 [1,1,0,0,0,0|1,0,1]=4 1096 B10R1.10 c1cc(cc(c1)Cl)CCBr TS08143 [1,1,0,0,0,0|1,0,0]=3 1097 B10R1.10 c1cc(cc(c1)Cl)CCN TS41558 [1,1,0,0,0,0|0,0,0]=2 1098 B10R1.10 c1cc(cc(c1)Cl)CCO TS10796 [1,1,0,0,0,0|1,0,0]=3 1099 B10R1.10 c1cc(cc(c1)Cl)CNN TS88866 [1,1,0,0,0,0|1,0,0]=3 1100 B10R1.10 c1cc(cc(c1)Cl)CO[NH3+] TS17763 [1,1,0,0,0,0|1,0,1]=4 1101 B10R1.10 c1cc(cc(c1)F)CC#N TS70595 [1,1,0,0,0,0|0,0,2]=4 1102 B10R1.10 c1cc(cc(c1)F)CC=O TS37173 [1,1,0,0,0,0|1,0,1]=4 1103 B10R1.10 c1cc(cc(c1)F)CCBr TS32877 [1,1,0,0,0,0|1,0,0]=3 1104 B10R1.10 c1cc(cc(c1)F)CCN TS70600 [1,1,0,0,0,0|0,0,0]=2 1105 B10R1.10 c1cc(cc(c1)F)CCO TS37362 [1,1,0,0,0,0|1,0,0]=3 1106 B10R1.10 c1cc(cc(c1)F)CNN TS88510 [1,1,0,0,0,0|1,0,0]=3 1107 B10R1.10 c1cc(cc(c1)F)CON TS93853 [1,1,0,0,0,0|1,0,0]=3 1108 B10R1.10 c1cc(cc(c1)I)CC#N TS26962 [1,1,0,0,0,0|0,0,2]=4 1109 B10R1.10 c1cc(cc(c1)N)CCO TS06195 [1,1,0,0,0,0|1,0,0]=3 1110 B10R1.10 c1cc(cc(c1)O)CCN TS39688 [1,1,0,0,0,0|0,0,0]=2 1111 B10R1.10 c1cc(cc(c1)O)CCO TS06255 [1,1,0,0,0,0|1,0,0]=3 1112 B10R1.10 c1cc(cc(c1)O)CCO TS06258 [1,1,0,0,0,0|1,0,0]=3 1113 B10R1.10 c1cc(cc(c1)O)CNN TS43951 [1,1,0,0,0,0|1,0,0]=3 1114 B10R1.10 c1cnc(cc1CCN)Br TS49022 [1,1,0,0,0,0|1,0,0]=3 1115 B10R1.17 C#CCCc1ccccc1 TS36511 [1,1,0,0,0,0|1,0,0]=3 1116 B10R1.17 C#CCOc1ccccc1 TS36668 [1,1,0,0,0,0|1,0,1]=4 1117 B10R1.17 C#CCSc1ccccc1 TS07496 [1,1,0,0,0,0|1,0,1]=4 1118 B10R1.17 C=CCCc1ccccc1 TS36707 [1,1,0,0,0,0|1,0,0]=3 1119 B10R1.17 C=CCCc1ccncc1 TS36777 [1,1,0,0,0,0|2,0,0]=4 1120 B10R1.17 C=CCNc1ccccc1 TS05848 [1,1,0,0,0,0|1,0,1]=4 1121 B10R1.17 C=CCOc1ccccc1 TS36847 [1,1,0,0,0,0|1,0,1]=4 1122 B10R1.17 C=CCSc1ccccc1 TS40921 [1,1,0,0,0,0|1,0,1]=4 1123 B10R1.17 CC=CCc1ccccc1 TS36709 [1,1,0,0,0,0|1,0,1]=4 1124 B10R1.17 CCC#Cc1ccccc1 TS36516 [1,1,0,0,0,0|1,0,1]=4 1125 B10R1.17 CCC=Cc1ccccc1 TS36700 [1,1,0,0,0,0|1,0,1]=4 1126 B10R1.17 CCCC[n+]1ccccc1 TS21989 [1,1,0,0,0,0|2,0,0]=4 1127 B10R1.17 CCCC[n+]1ccccc1 TS45400 [1,1,0,0,0,0|2,0,0]=4 1128 B10R1.17 CCCCc1ccccc1 TS36870 [1,1,0,0,0,0|1,0,0]=3 1129 B10R1.17 CCCCc1ccccn1 TS06002 [1,1,0,0,0,0|2,0,0]=4 1130 B10R1.17 CCCCc1cccnc1 TS06012 [1,1,0,0,0,0|2,0,0]=4 1131 B10R1.17 CCCCc1ccncc1 TS06014 [1,1,0,0,0,0|2,0,0]=4 1132 B10R1.17 CCCNc1ccccc1 TS36942 [1,1,0,0,0,0|1,0,0]=3 1133 B10R1.17 CCCOc1ccccc1 TS37010 [1,1,0,0,0,0|1,0,0]=3 1134 B10R1.17 CCCSc1ccccc1 TS41194 [1,1,0,0,0,0|1,0,0]=3 1135 B10R1.17 CCN=Cc1ccccc1 TS05847 [1,1,0,0,0,0|1,0,1]=4 1136 B10R1.17 CCNCc1ccccc1 TS06015 [1,1,0,0,0,0|1,0,0]=3 1137 B10R1.17 CCNCc1ccncc1 TS37037 [1,1,0,0,0,0|2,0,0]=4 1138 B10R1.17 CCOCc1ccccc1 TS37009 [1,1,0,0,0,0|1,0,0]=3 1139 B10R1.17 CCSCc1ccccc1 TS41200 [1,1,0,0,0,0|1,0,0]=3 1140 B10R1.17 CNCCc1ccccc1 TS01606 [1,1,0,0,0,0|0,0,0]=2 1141 B10R1.17 CNCCc1ccccn1 TS37041 [1,1,0,0,0,0|1,0,0]=3 1142 B10R1.17 CNCCc1ccccn1 TS63536 [1,1,0,0,0,0|1,0,0]=3 1143 B10R1.17 CNCCc1ccccn1 TS65180 [1,1,0,0,0,0|1,0,0]=3 1144 B10R1.17 CNCCc1cccnc1 TS08004 [1,1,0,0,0,0|1,0,0]=3 1145 B10R1.17 CNCCc1ccncc1 TS37035 [1,1,0,0,0,0|1,0,0]=3 1146 B10R1.17 COCCc1ccccc1 TS06081 [1,1,0,0,0,0|1,0,0]=3 1147 B10R1.17 COCCc1ccccn1 TS06192 [1,1,0,0,0,0|2,0,0]=4 1148 B10R1.17 COCOc1ccccc1 TS06260 [1,1,0,0,0,0|2,0,0]=4 1149 B10R1.17 COCSc1ccccc1 TS10468 [1,1,0,0,0,0|2,0,0]=4 1150 B10R1.17 CSCOc1ccccc1 TS10467 [1,1,0,0,0,0|2,0,0]=4 1151 B10R1.17 CSSCc1ccccc1 TS12900 [1,1,0,0,0,0|2,0,0]=4 1152 B10R1.17 [C-]#[N+]CCc1ccccc1 TS05666 [1,1,0,0,0,0|0,0,1]=3 1153 B10R1.17 c1cc(cnc1)CCC#N TS05740 [1,1,0,0,0,0|1,0,1]=4 1154 B10R1.17 c1cc(cnc1)CCCO TS37116 [1,1,0,0,0,0|2,0,0]=4 1155 B10R1.17 c1ccc(cc1)C#CCCl TS09975 [1,1,0,0,0,0|1,0,1]=4 1156 B10R1.17 c1ccc(cc1)C#CCN TS05672 [1,1,0,0,0,0|0,0,1]=3 1157 B10R1.17 c1ccc(cc1)C#CCO TS36664 [1,1,0,0,0,0|1,0,1]=4 1158 B10R1.17 c1ccc(cc1)C=CCBr TS53806 [1,1,0,0,0,0|1,0,1]=4 1159 B10R1.17 c1ccc(cc1)C=CCCl TS41222 [1,1,0,0,0,0|1,0,1]=4 1160 B10R1.17 c1ccc(cc1)C=CCO TS36831 [1,1,0,0,0,0|1,0,1]=4 1161 B10R1.17 c1ccc(cc1)CCC#N TS56176 [1,1,0,0,0,0|0,0,1]=3 1162 B10R1.17 c1ccc(cc1)CCC=O TS01796 [1,1,0,0,0,0|1,0,0]=3 1163 B10R1.17 c1ccc(cc1)CCCCl TS41470 [1,1,0,0,0,0|1,0,0]=3 1164 B10R1.17 c1ccc(cc1)CCCN TS36954 [1,1,0,0,0,0|0,0,0]=2 1165 B10R1.17 c1ccc(cc1)CCCO TS37013 [1,1,0,0,0,0|1,0,0]=3 1166 B10R1.17 c1ccc(cc1)CCCS TS41196 [1,1,0,0,0,0|1,0,0]=3 1167 B10R1.17 c1ccc(cc1)CCNN TS06106 [1,1,0,0,0,0|0,0,0]=2 1168 B10R1.17 c1ccc(cc1)CN=C=O TS36745 [1,1,0,0,0,0|1,0,1]=4 1169 B10R1.17 c1ccc(cc1)CN=C=S TS40764 [1,1,0,0,0,0|1,0,1]=4 1170 B10R1.17 c1ccc(cc1)CN=[N+]=[N-] TS36764 [1,1,0,0,0,0|1,0,1]=4 1171 B10R1.17 c1ccc(cc1)CNC=O TS36937 [1,1,0,0,0,0|1,0,1]=4 1172 B10R1.17 c1ccc(cc1)COC=O TS36984 [1,1,0,0,0,0|1,0,1]=4 1173 B10R1.17 c1ccc(cc1)COCCl TS39818 [1,1,0,0,0,0|1,0,0]=3 1174 B10R1.17 c1ccc(cc1)CSC#N TS07591 [1,1,0,0,0,0|0,0,2]=4 1175 B10R1.17 c1ccc(cc1)CSCBr TS22173 [1,1,0,0,0,0|1,0,0]=3 1176 B10R1.17 c1ccc(cc1)CSCCl TS13275 [1,1,0,0,0,0|1,0,0]=3 1177 B10R1.17 c1ccc(cc1)C[Se]C#N TS53598 [1,1,0,0,0,0|0,0,2]=4 1178 B10R1.17 c1ccc(cc1)NCCN TS37036 [1,1,0,0,0,0|0,0,0]=2 1179 B10R1.17 c1ccc(cc1)NCCO TS37110 [1,1,0,0,0,0|1,0,0]=3 1180 B10R1.17 c1ccc(cc1)OCC=O TS36991 [1,1,0,0,0,0|1,0,1]=4 1181 B10R1.17 c1ccc(cc1)OCCBr TS55768 [1,1,0,0,0,0|1,0,0]=3 1182 B10R1.17 c1ccc(cc1)OCCCl TS10798 [1,1,0,0,0,0|1,0,0]=3 1183 B10R1.17 c1ccc(cc1)OCCN TS65630 [1,1,0,0,0,0|0,0,0]=2 1184 B10R1.17 c1ccc(cc1)OCCO TS06243 [1,1,0,0,0,0|1,0,0]=3 1185 B10R1.17 c1ccc(cc1)SCC#N TS40766 [1,1,0,0,0,0|0,0,2]=4 1186 B10R1.17 c1ccc(cc1)SCCBr TS49223 [1,1,0,0,0,0|1,0,0]=3 1187 B10R1.17 c1ccc(cc1)SCCCl TS13277 [1,1,0,0,0,0|1,0,0]=3 1188 B10R1.17 c1ccc(cc1)SCCO TS10471 [1,1,0,0,0,0|1,0,0]=3 1189 B10R1.17 c1ccnc(c1)CCCCl TS10631 [1,1,0,0,0,0|2,0,0]=4 1190 B10R1.17 c1ccnc(c1)CCCO TS02471 [1,1,0,0,0,0|2,0,0]=4 1191 B10R1.17 c1ccnc(c1)NCCO TS45873 [1,1,0,0,0,0|2,0,0]=4 1192 B10R1.17 c1ccnc(c1)SCCO TS10597 [1,1,0,0,0,0|2,0,0]=4 1193 B10R1.17 c1cnccc1CCCN TS37023 [1,1,0,0,0,0|1,0,0]=3 1194 B10R1.17 c1cnccc1CCCO TS37120 [1,1,0,0,0,0|2,0,0]=4 1195 B10R1.17 c1cnccc1NCCN TS45706 [1,1,0,0,0,0|1,0,0]=3 1196 B10R1.18 B(Cc1ccccc1)(O)O TS01380 [1,1,0,0,0,0|2,0,0]=4 1197 B10R1.18 CC(=C)Cc1ccccc1 TS36701 [1,1,0,0,0,0|1,0,1]=4 1198 B10R1.18 CC(=O)Cc1ccccc1 TS36838 [1,1,0,0,0,0|1,0,1]=4 1199 B10R1.18 CC(C)Cc1ccccc1 TS74509 [1,1,0,0,0,0|1,0,0]=3 1200 B10R1.18 CC(C)Cc1ccccn1 TS36960 [1,1,0,0,0,0|2,0,0]=4 1201 B10R1.18 CC(C)Cc1cccnc1 TS06005 [1,1,0,0,0,0|2,0,0]=4 1202 B10R1.18 CC(C)Cc1ccncc1 TS06006 [1,1,0,0,0,0|2,0,0]=4 1203 B10R1.18 CC(C)Nc1ccccc1 TS56404 [1,1,0,0,0,0|2,0,0]=4 1204 B10R1.18 CC(C)Sc1ccccc1 TS41201 [1,1,0,0,0,0|2,0,0]=4 1205 B10R1.18 CC(Cc1ccccc1)Br TS55076 [1,1,0,0,0,0|1,0,0]=3 1206 B10R1.18 CC(Cc1ccccc1)N TS06010 [1,1,0,0,0,0|0,0,0]=2 1207 B10R1.18 CC(Cc1ccccc1)O TS47018 [1,1,0,0,0,0|1,0,0]=3 1208 B10R1.18 CC(Cc1ccccn1)N TS46983 [1,1,0,0,0,0|1,0,0]=3 1209 B10R1.18 CC(Cc1cccnc1)N TS00050 [1,1,0,0,0,0|1,0,0]=3 1210 B10R1.18 CN(C)Cc1ccccc1 TS06009 [1,1,0,0,0,0|2,0,0]=4 1211 B10R1.18 CN(C)Cc1ccccc1 TS45394 [1,1,0,0,0,0|2,0,0]=4 1212 B10R1.18 CS(=O)Cc1ccccc1 TS10469 [1,1,0,0,0,0|2,0,0]=4 1213 B10R1.18 C[C@@H](Cc1ccccc1)N TS36940 [1,1,0,0,0,0|0,0,0]=2 1214 B10R1.18 C[C@@H](Cc1ccccc1)N TS66757 [1,1,0,0,0,0|0,0,0]=2 1215 B10R1.18 C[SiH](C)Cc1ccccc1 TS40934 [1,1,0,0,0,0|1,1,0]=4 1216 B10R1.18 c1cc[n+](cc1)CC(=O)N TS45571 [1,1,0,0,0,0|1,0,1]=4 1217 B10R1.18 c1ccc(cc1)CC(=O)Cl TS59338 [1,1,0,0,0,0|1,0,1]=4 1218 B10R1.18 c1ccc(cc1)CC(=O)N TS36936 [1,1,0,0,0,0|0,0,1]=3 1219 B10R1.18 c1ccc(cc1)CC(=O)O TS06169 [1,1,0,0,0,0|1,0,1]=4 1220 B10R1.18 c1ccc(cc1)CC(=O)O TS37162 [1,1,0,0,0,0|1,0,1]=4 1221 B10R1.18 c1ccc(cc1)CC(=O)[O-] TS41860 [1,1,0,0,0,0|1,0,1]=4 1222 B10R1.18 c1ccc(cc1)CC(=O)[O-] TS45813 [1,1,0,0,0,0|1,0,1]=4 1223 B10R1.18 c1ccc(cc1)CC(=S)N TS41053 [1,1,0,0,0,0|0,0,1]=3 1224 B10R1.18 c1ccc(cc1)N=C(N)N TS53990 [1,1,0,0,0,0|1,0,1]=4 1225 B10R1.18 c1ccc(cc1)NC(=N)N TS53844 [1,1,0,0,0,0|1,0,1]=4 1226 B10R1.18 c1ccc(cc1)NC(=O)N TS06065 [1,1,0,0,0,0|1,0,1]=4 1227 B10R1.18 c1ccc(cc1)NC(=S)N TS41175 [1,1,0,0,0,0|1,0,1]=4 1228 B10R1.18 c1ccc(cc1)OC(=O)N TS06164 [1,1,0,0,0,0|1,0,1]=4 1229 B10R1.18 c1ccc(cc1)OC(F)F TS06920 [1,1,0,0,0,0|2,0,0]=4 1230 B10R1.18 c1ccc(cc1)[SiH2]C(Cl)Cl TS17240 [1,1,0,0,0,0|1,1,0]=4 1231 B10R1.18 c1ccnc(c1)CC(=O)N TS06050 [1,1,0,0,0,0|1,0,1]=4 1232 B10R1.18 c1cnccc1CC(=O)N TS36994 [1,1,0,0,0,0|1,0,1]=4 1233 B10R1.6 CC(C)(CO)n1cccc1 TS06383 [0,1,0,0,1,0|2,0,0]=4 1234 B12R1.32 CCCC(C)Cc1ccccc1 TS11628 [0,1,0,0,0,1|1,0,0]=3 1235 B12R1.32 CCNC(C)Cc1ccccc1 TS11746 [0,1,0,0,0,1|1,0,0]=3 1236 B12R1.32 CN(CCN)Cc1ccccc1 TS64933 [0,1,0,0,0,1|1,0,0]=3 1237 B12R1.32 CN(CCO)Cc1ccccc1 TS42946 [0,1,0,0,0,1|2,0,0]=4 1238 B12R1.32 CNCC(=O)Cc1ccccc1 TS37811 [0,1,0,0,0,1|1,0,1]=4 1239 B12R1.32 COC[C@H](Cc1ccccc1)N TS38188 [0,1,0,0,0,1|2,0,0]=4 1240 B12R1.34 CC(C(=O)c1ccccc1)NC TS18909 [0,1,0,0,0,1|2,0,0]=4 1241 B12R1.34 CC(C(c1ccccc1)O)NC TS42942 [0,1,0,0,0,1|2,0,0]=4 1242 B12R1.34 CCC(C(=O)c1ccccc1)I TS33564 [0,1,0,0,0,1|2,0,0]=4 1243 B12R1.34 CCC(C)C(c1ccccc1)O TS42791 [0,1,0,0,0,1|1,0,0]=3 1244 B12R1.34 CN(c1ccccc1)C(=O)CN TS42762 [0,1,0,0,0,1|1,0,1]=4 1245 B12R1.34 C[C@@H]([C@@H](c1ccccc1)O)NC TS38186 [0,1,0,0,0,1|2,0,0]=4 1246 B12R1.34 C[C@@H]([C@@H](c1ccccc1)O)NC TS52646 [0,1,0,0,0,1|2,0,0]=4 1247 B12R1.34 C[C@@H]([C@H](c1ccccc1)O)NC TS38184 [0,1,0,0,0,1|2,0,0]=4 1248 B12R1.34 C[C@@H]([C@H](c1ccccc1)O)NC TS42938 [0,1,0,0,0,1|2,0,0]=4 1249 B12R1.34 C[C@H]([C@H](c1ccccc1)O)NC TS16810 [0,1,0,0,0,1|2,0,0]=4 1250 B12R1.43 CC(C(=O)C)Oc1ccccc1 TS11848 [0,1,0,0,0,1|1,0,1]=4 1251 B12R1.43 CC(C(=O)Cl)Oc1ccccc1 TS15388 [0,1,0,0,0,1|1,0,1]=4 1252 B12R1.43 CC(C(=O)O)Oc1ccccc1 TS43044 [0,1,0,0,0,1|1,0,1]=4 1253 B12R1.43 C[C@H](C(=O)N)Nc1ccccc1 TS42764 [0,1,0,0,0,1|0,0,1]=3 1254 B12R1.43 c1ccc(cc1)CC(C(=O)N)N TS38014 [0,1,0,0,0,1|1,0,1]=4 1255 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)N)N TS07935 [0,1,0,0,0,1|1,0,1]=4 1256 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)N)N TS38013 [0,1,0,0,0,1|1,0,1]=4 1257 B12R1.43 c1ccc(cc1)C[C@H](C(=O)N)N TS38015 [0,1,0,0,0,1|1,0,1]=4 1258 B12R1.43 c1ccc(cc1)C[C@H](C(=O)N)N TS42770 [0,1,0,0,0,1|1,0,1]=4 1259 B12R1.49 CC(Cc1ccc(cc1)O)NC TS42944 [0,1,0,0,0,1|2,0,0]=4 1260 B12R1.49 CCC(C)Oc1ccc(cc1)Cl TS48693 [0,1,0,0,0,1|1,0,0]=3 1261 B12R1.49 c1cc(ccc1CC(CO)N)Cl TS15533 [0,1,0,0,0,1|2,0,0]=4 1262 B12R1.49 c1cc(ccc1C[C@@H](CO)N)Cl TS48808 [0,1,0,0,0,1|2,0,0]=4 1263 B12R1.49 c1cc(ccc1C[C@H](CO)N)Cl TS15530 [0,1,0,0,0,1|2,0,0]=4 1264 B12R1.49 c1cc(ccc1C[C@H](CO)N)O TS43238 [0,1,0,0,0,1|2,0,0]=4 1265 B12R1.118 CCN(CC)Cc1ccccc1 TS42632 [0,1,0,0,0,1|2,0,0]=4 1266 B12R1.118 COC(Cc1ccccc1)OC TS12247 [0,1,0,0,0,1|2,0,0]=4 1267 B12R1.118 COC(OC)[SiH2]c1ccccc1 TS48321 [0,1,0,0,0,1|2,0,0]=4 1268 B12R1.194 CC(C)(Cc1ccccc1)C=O TS11594 [0,1,0,0,0,1|1,0,1]=4 1269 B12R1.194 CC(C)(Cc1ccccc1)NC TS11761 [0,1,0,0,0,1|2,0,0]=4 1270 B12R1.194 CC(C)(Cc1ccccc1)NC TS69953 [0,1,0,0,0,1|2,0,0]=4 1271 B12R1.9 CC(C)(C#N)c1ccc(cc1)Br TS23776 [0,2,0,0,0,0|0,0,2]=4 1272 B12R1.9 CC(C)(C#N)c1ccc(cc1)N TS39615 [0,2,0,0,0,0|0,0,2]=4 1273 B12R1.9 CC(C)(CO)c1ccc(cc1)Cl TS48691 [0,2,0,0,0,0|1,0,0]=3 1274 B12R1.9 CCC(C)(C)c1ccc(cc1)N TS11751 [0,2,0,0,0,0|1,0,0]=3 1275 B12R1.9 CCC(C)(C)c1ccc(cc1)O TS42798 [0,2,0,0,0,0|1,0,0]=3 1276 B12R1.9 C[Si](C)(CCl)c1ccc(cc1)Cl TS49569 [0,2,0,0,0,0|1,1,0]=4 1277 B12R1.9 c1cc(ccc1C(CBr)(F)F)Br TS74568 [0,2,0,0,0,0|2,0,0]=4 1278 B12R1.10 CC[N+](C)(C)c1cccc(c1)O TS38187 [0,2,0,0,0,0|2,0,0]=4 1279 B12R1.39 CC(C)(C[Mg]Cl)c1ccccc1 TS17592 [0,2,0,0,0,0|1,0,0]=3 1280 B12R1.39 CC(CC=C)(c1ccccc1)O TS11584 [0,2,0,0,0,0|1,0,0]=3 1281 B12R1.39 CCCC(C)(c1ccccc1)O TS42784 [0,2,0,0,0,0|1,0,0]=3 1282 B12R1.39 CCO[Si](C)(C)c1ccccc1 TS47978 [0,2,0,0,0,0|1,1,0]=4 1283 B12R1.195 CCC(C)(C)c1ccccc1O TS42789 [0,2,0,0,0,0|1,0,0]=3 1284 B12R1.253 CC(C)(c1ccccc1)C(=O)O TS01108 [0,2,0,0,0,0|1,0,1]=4 1285 B12R1.253 CC(c1ccccc1)(C(=O)O)N TS12005 [0,2,0,0,0,0|1,0,1]=4 1286 B12R1.253 C[C@@](c1ccccc1)(C(=O)O)O TS43029 [0,2,0,0,0,0|1,0,1]=4 1287 B12R1.253 C[C@](c1ccccc1)(C(=O)O)N TS12025 [0,2,0,0,0,0|1,0,1]=4 1288 B12R1.253 C[C@](c1ccccc1)(C(=O)O)O TS12161 [0,2,0,0,0,0|1,0,1]=4 1289 B12R1.253 c1ccc(cc1)C(C(=O)N)(F)F TS12964 [0,2,0,0,0,0|1,0,1]=4 1290 B12R1.475 CC(c1ccccc1)(OC)OC TS43114 [0,2,0,0,0,0|2,0,0]=4 1291 B12R1.475 CCC(CC)(c1ccccc1)O TS11923 [0,2,0,0,0,0|1,0,0]=3 1292 B12R1.475 CCC(CN)(c1ccccc1)N TS11927 [0,2,0,0,0,0|0,0,0]=2 1293 B12R1.475 c1ccc(cc1)C(CO)(CO)N TS43254 [0,2,0,0,0,0|1,0,0]=3 1294 B12R1.3 CCCC(C#N)c1ccccc1 TS42075 [0,2,0,0,0,0|0,0,2]=4 1295 B12R1.3 CCN(CCCl)c1ccccc1 TS23016 [0,2,0,0,0,0|2,0,0]=4 1296 B12R1.3 CCN(CCO)c1ccccc1 TS42948 [0,2,0,0,0,0|2,0,0]=4 1297 B12R1.3 c1ccc(cc1)C(CC#N)C#N TS41623 [0,2,0,0,0,0|0,0,2]=4 1298 B12R1.12 CCN(CC)c1ccc(cc1)Br TS52604 [0,2,0,0,0,0|2,0,0]=4 1299 B12R1.12 CCN(CC)c1ccc(cc1)C TS11754 [0,2,0,0,0,0|2,0,0]=4 1300 B12R1.12 CCN(CC)c1ccc(cc1)N TS11931 [0,2,0,0,0,0|2,0,0]=4 1301 B12R1.12 CCN(CC)c1ccc(cc1)N TS19129 [0,2,0,0,0,0|2,0,0]=4 1302 B12R1.12 CCN(CC)c1ccc(cc1)N TS26024 [0,2,0,0,0,0|2,0,0]=4 1303 B12R1.12 CCN(CC)c1ccc(cc1)N TS29804 [0,2,0,0,0,0|2,0,0]=4 1304 B12R1.12 COC(c1ccc(cc1)Br)OC TS25020 [0,2,0,0,0,0|2,0,0]=4 1305 B12R1.12 COC(c1ccc(cc1)Cl)OC TS15730 [0,2,0,0,0,0|2,0,0]=4 1306 B12R1.13 CCN(CC)c1cccc(c1)C TS37826 [0,2,0,0,0,0|2,0,0]=4 1307 B12R1.13 CCN(CC)c1cccc(c1)C TS42638 [0,2,0,0,0,0|2,0,0]=4 1308 B12R1.13 CCN(CC)c1cccc(c1)O TS42952 [0,2,0,0,0,0|2,0,0]=4 1309 B12R1.13 COC(c1cccc(c1)Br)OC TS25016 [0,2,0,0,0,0|2,0,0]=4 1310 B12R1.13 COC(c1cccc(c1)N)OC TS43230 [0,2,0,0,0,0|2,0,0]=4 1311 B12R1.243 CCN(CC)c1ccccc1C TS42628 [0,2,0,0,0,0|2,0,0]=4 1312 B12R1.243 CCN(CC)c1ccccc1Cl TS48501 [0,2,0,0,0,0|2,0,0]=4 1313 B12R1.478 CC(=O)C(C#N)c1ccccc1 TS65634 [0,2,0,0,0,0|0,0,2]=4 1314 B12R1.478 CC(C)C(C#N)c1ccccc1 TS42072 [0,2,0,0,0,0|0,0,2]=4 1315 B12R1.478 CCC(c1ccccc1)C(=O)Cl TS48366 [0,2,0,0,0,0|1,0,1]=4 1316 B12R1.478 CCC(c1ccccc1)C(=O)N TS42598 [0,2,0,0,0,0|0,0,1]=3 1317 B12R1.478 CCC(c1ccccc1)C(=O)O TS42761 [0,2,0,0,0,0|1,0,1]=4 1318 B12R1.478 CCN(c1ccccc1)C(=O)C TS42596 [0,2,0,0,0,0|2,0,0]=4 1319 B12R1.478 CCN(c1ccccc1)C(=S)N TS14662 [0,2,0,0,0,0|1,0,1]=4 1320 B12R1.478 CCN(c1ccccc1)C(C)C TS11749 [0,2,0,0,0,0|2,0,0]=4 1321 B12R1.478 CN(C)C(C#N)c1ccccc1 TS11291 [0,2,0,0,0,0|0,0,2]=4 1322 B12R1.478 CN(C)C(CN)c1ccccc1 TS11946 [0,2,0,0,0,0|0,0,0]=2 1323 B12R1.478 CN[C@@H](c1ccccc1)C(=O)O TS42891 [0,2,0,0,0,0|1,0,1]=4 1324 B12R1.478 COC(c1ccccc1)C(=O)O TS12180 [0,2,0,0,0,0|1,0,1]=4 1325 B12R1.478 COC(c1ccccc1)C(=O)[O-] TS15927 [0,2,0,0,0,0|1,0,1]=4 1326 B12R1.478 CO[C@@H](c1ccccc1)C(=O)O TS43053 [0,2,0,0,0,0|1,0,1]=4 1327 B12R1.478 CO[C@H](c1ccccc1)C(=O)O TS39563 [0,2,0,0,0,0|1,0,1]=4 1328 B12R1.478 c1ccc(cc1)C(CO)C(=O)N TS34758 [0,2,0,0,0,0|0,0,1]=3 1329 B12R1.478 c1ccc(cc1)C(CO)C(=O)O TS12203 [0,2,0,0,0,0|1,0,1]=4 1330 B12R1.16 CC(c1ccc(cc1)F)N=C=S TS48098 [0,2,0,0,0,0|1,0,1]=4 1331 B12R1.16 CNCC(c1ccc(cc1)O)O TS38512 [0,2,0,0,0,0|1,0,0]=3 1332 B12R1.16 CNCC(c1ccc(cc1)O)O TS83006 [0,2,0,0,0,0|1,0,0]=3 1333 B12R1.16 CNC[C@@H](c1ccc(cc1)O)O TS43231 [0,2,0,0,0,0|1,0,0]=3 1334 B12R1.16 C[C@@H](c1ccc(cc1)Br)N=C=O TS24115 [0,2,0,0,0,0|1,0,1]=4 1335 B12R1.16 C[C@H](c1ccc(cc1)Br)N=C=O TS24108 [0,2,0,0,0,0|1,0,1]=4 1336 B12R1.16 Cc1ccc(cc1)C(CCO)N TS12059 [0,2,0,0,0,0|2,0,0]=4 1337 B12R1.16 Cc1ccc(cc1)N(C)CCO TS12071 [0,2,0,0,0,0|2,0,0]=4 1338 B12R1.16 Cc1ccc(cc1)[C@@H](CCO)N TS12072 [0,2,0,0,0,0|2,0,0]=4 1339 B12R1.16 c1cc(ccc1C(CCO)N)Br TS52948 [0,2,0,0,0,0|2,0,0]=4 1340 B12R1.16 c1cc(ccc1C(CCO)N)F TS59601 [0,2,0,0,0,0|2,0,0]=4 1341 B12R1.16 c1cc(ccc1[C@@H](CCO)N)F TS12687 [0,2,0,0,0,0|2,0,0]=4 1342 B12R1.16 c1cc(ccc1[C@H](CCI)O)F TS54302 [0,2,0,0,0,0|2,0,0]=4 1343 B12R1.17 CNCC(=O)c1cccc(c1)O TS38166 [0,2,0,0,0,0|1,0,1]=4 1344 B12R1.17 CNCC(=O)c1cccc(c1)O TS62149 [0,2,0,0,0,0|1,0,1]=4 1345 B12R1.17 CNCC(c1cccc(c1)O)O TS38514 [0,2,0,0,0,0|1,0,0]=3 1346 B12R1.17 CNCC(c1cccc(c1)O)O TS43246 [0,2,0,0,0,0|1,0,0]=3 1347 B12R1.17 CNC[C@@H](c1cccc(c1)O)O TS33090 [0,2,0,0,0,0|1,0,0]=3 1348 B12R1.17 CNC[C@@H](c1cccc(c1)O)O TS61333 [0,2,0,0,0,0|1,0,0]=3 1349 B12R1.17 Cc1cccc(c1)C(CCO)N TS12058 [0,2,0,0,0,0|2,0,0]=4 1350 B12R1.17 c1cc(cc(c1)Br)C(CCO)N TS52950 [0,2,0,0,0,0|2,0,0]=4 1351 B12R1.17 c1cc(cc(c1)Cl)C(CCO)N TS48811 [0,2,0,0,0,0|2,0,0]=4 1352 B12R1.17 c1cc(cc(c1)F)C(CCO)N TS12684 [0,2,0,0,0,0|2,0,0]=4 1353 B12R1.17 c1cc(cc(c1)N)C(CCO)N TS43119 [0,2,0,0,0,0|2,0,0]=4 1354 B12R1.17 c1cc(cc(c1)O)C(CCO)N TS43252 [0,2,0,0,0,0|2,0,0]=4 1355 B12R1.30 CC=CCC(C)c1ccccc1 TS42205 [0,2,0,0,0,0|1,0,0]=3 1356 B12R1.30 CCCCC(c1ccccc1)O TS42804 [0,2,0,0,0,0|2,0,0]=4 1357 B12R1.30 CCNCC(C)c1ccccc1 TS11759 [0,2,0,0,0,0|0,0,0]=2 1358 B12R1.30 CN(CCC#N)c1ccccc1 TS11283 [0,2,0,0,0,0|1,0,1]=4 1359 B12R1.30 CN(CCCN)c1ccccc1 TS11930 [0,2,0,0,0,0|1,0,0]=3 1360 B12R1.30 CNCCC(c1ccccc1)Cl TS22708 [0,2,0,0,0,0|1,0,0]=3 1361 B12R1.30 CNCCC(c1ccccc1)O TS00158 [0,2,0,0,0,0|1,0,0]=3 1362 B12R1.30 CNCC[C@H](c1ccccc1)O TS94530 [0,2,0,0,0,0|1,0,0]=3 1363 B12R1.30 C[C@@H](c1ccccc1)NCCO TS12067 [0,2,0,0,0,0|1,0,0]=3 1364 B12R1.30 C[C@H](c1ccccc1)NCC=C TS42344 [0,2,0,0,0,0|1,0,0]=3 1365 B12R1.30 C[C@H](c1ccccc1)NCCO TS46579 [0,2,0,0,0,0|1,0,0]=3 1366 B12R1.30 c1cc(cnc1)C(CCCN)N TS12080 [0,2,0,0,0,0|2,0,0]=4 1367 B12R1.30 c1ccc(cc1)C(=O)SCCN TS22303 [0,2,0,0,0,0|1,0,1]=4 1368 B12R1.30 c1ccnc(c1)C(CCCN)N TS12081 [0,2,0,0,0,0|2,0,0]=4 1369 B12R1.30 c1cnccc1C(CCCN)N TS12079 [0,2,0,0,0,0|2,0,0]=4 1370 B12R1.107 CC(=NN(C)C)c1ccccc1 TS11603 [0,2,0,0,0,0|1,0,1]=4 1371 B12R1.107 CC(C)CC(c1ccccc1)N TS42635 [0,2,0,0,0,0|2,0,0]=4 1372 B12R1.107 CC(C)N=C(C)c1ccccc1 TS42351 [0,2,0,0,0,0|1,0,1]=4 1373 B12R1.107 CC(CC(=O)O)c1ccccc1 TS42755 [0,2,0,0,0,0|1,0,0]=3 1374 B12R1.107 CC(c1ccccc1)NC(=O)C TS11732 [0,2,0,0,0,0|1,0,1]=4 1375 B12R1.107 CC(c1ccccc1)OC(=O)C TS39949 [0,2,0,0,0,0|1,0,1]=4 1376 B12R1.107 CN(C)C[C@H](c1ccccc1)O TS42950 [0,2,0,0,0,0|1,0,0]=3 1377 B12R1.107 C[C@@H](CC(=O)O)c1ccccc1 TS42738 [0,2,0,0,0,0|1,0,0]=3 1378 B12R1.107 C[C@@H](c1ccccc1)NC(=O)C TS11712 [0,2,0,0,0,0|1,0,1]=4 1379 B12R1.107 C[C@@H](c1ccccc1)NC(C)C TS37829 [0,2,0,0,0,0|1,0,0]=3 1380 B12R1.107 C[C@H](CC(=O)O)c1ccccc1 TS42736 [0,2,0,0,0,0|1,0,0]=3 1381 B12R1.107 C[C@H](c1ccccc1)NC(=O)C TS11718 [0,2,0,0,0,0|1,0,1]=4 1382 B12R1.107 C[C@H](c1ccccc1)NC(C)C TS37827 [0,2,0,0,0,0|1,0,0]=3 1383 B12R1.107 c1ccc(cc1)C(CC(=O)O)Br TS52783 [0,2,0,0,0,0|2,0,0]=4 1384 B12R1.107 c1ccc(cc1)C(CC(=O)O)N TS65071 [0,2,0,0,0,0|2,0,0]=4 1385 B12R1.107 c1ccc(cc1)C(CC(=O)O)O TS12188 [0,2,0,0,0,0|2,0,0]=4 1386 B12R1.107 c1ccc(cc1)C(C[N+](=O)[O-])O TS43216 [0,2,0,0,0,0|1,0,1]=4 1387 B12R1.107 c1ccc(cc1)[C@@H](CC(=O)O)O TS43028 [0,2,0,0,0,0|2,0,0]=4 1388 B12R1.107 c1ccc(cc1)[C@H](CC(=O)O)N TS46535 [0,2,0,0,0,0|2,0,0]=4 1389 B12R1.107 c1ccc(cc1)[C@H](CC(=O)O)O TS43030 [0,2,0,0,0,0|2,0,0]=4 1390 B12R1.308 CCCC(C)c1ccccc1O TS42783 [0,2,0,0,0,0|1,0,0]=3 1391 B12R1.308 c1ccc(c(c1)C(CCO)N)Cl TS48804 [0,2,0,0,0,0|2,0,0]=4 1392 B12R1.308 c1ccc(c(c1)C(CCO)N)N TS43120 [0,2,0,0,0,0|2,0,0]=4 1393 B12R1.5 COc1ccc(cc1)C(CN)O TS38509 [0,2,0,0,0,0|1,0,0]=3 1394 B12R1.5 COc1ccc(cc1)[C@H](CCl)O TS49006 [0,2,0,0,0,0|2,0,0]=4 1395 B12R1.20 CC(C(c1ccc(cc1)Cl)O)N TS65020 [0,2,0,0,0,0|1,0,0]=3 1396 B12R1.20 CC(c1ccc(cc1)Cl)C(=O)O TS15384 [0,2,0,0,0,0|1,0,1]=4 1397 B12R1.20 CC(c1ccc(cc1)O)C(=O)O TS43033 [0,2,0,0,0,0|1,0,1]=4 1398 B12R1.20 C[C@H]([C@H](c1ccc(cc1)O)O)N TS38510 [0,2,0,0,0,0|1,0,0]=3 1399 B12R1.20 Cc1ccc(cc1)C(C)C(=O)O TS65000 [0,2,0,0,0,0|1,0,1]=4 1400 B12R1.367 CCC(C)c1ccc(c(c1)O)N TS12077 [0,2,0,0,0,0|1,0,0]=3 1401 B12R1.367 c1cc(c(cc1C(=O)CN)Cl)Cl TS26602 [0,2,0,0,0,0|1,0,1]=4 1402 B12R1.367 c1cc(c(cc1C(CCl)O)Cl)Cl TS24058 [0,2,0,0,0,0|2,0,0]=4 1403 B12R1.367 c1cc(c(cc1C(CN)O)O)O TS38882 [0,2,0,0,0,0|1,0,0]=3 1404 B12R1.367 c1cc(c(cc1C(CN)O)O)O TS45000 [0,2,0,0,0,0|1,0,0]=3 1405 B12R1.367 c1cc(c(cc1C(CO)Cl)Cl)Cl TS24059 [0,2,0,0,0,0|2,0,0]=4 1406 B12R1.367 c1cc(c(cc1[C@@H](CCl)O)Cl)Cl TS24056 [0,2,0,0,0,0|2,0,0]=4 1407 B12R1.367 c1cc(c(cc1[C@@H](CCl)O)F)F TS92962 [0,2,0,0,0,0|2,0,0]=4 1408 B12R1.367 c1cc(c(cc1[C@H](CN)O)O)O TS38881 [0,2,0,0,0,0|1,0,0]=3 1409 B12R1.1703 c1cc(c(cc1Cl)Cl)C(=O)CN TS26600 [0,2,0,0,0,0|1,0,1]=4 1410 B12R1.1703 c1cc(c(cc1Cl)Cl)C(=O)CN TS47347 [0,2,0,0,0,0|1,0,1]=4 1411 B12R1.1703 c1cc(c(cc1Cl)Cl)[C@@H](CCl)O TS24057 [0,2,0,0,0,0|2,0,0]=4 1412 B12R1.1703 c1cc(c(cc1F)F)C(=O)CN TS43342 [0,2,0,0,0,0|1,0,1]=4 1413 B12R1.1703 c1cc(c(cc1F)F)C(=O)CN TS47349 [0,2,0,0,0,0|1,0,1]=4 1414 B12R1.225 CC(C)[C@H](c1cccc(c1)F)N TS07982 [0,2,0,0,0,0|2,0,0]=4 1415 B12R1.225 CC(c1cccc(c1)Br)C(=O)O TS47050 [0,2,0,0,0,0|1,0,1]=4 1416 B12R1.225 CC(c1cccc(c1)Cl)C(=O)O TS48658 [0,2,0,0,0,0|1,0,1]=4 1417 B12R1.225 C[C@@H]([C@@H](c1cccc(c1)O)O)N TS43239 [0,2,0,0,0,0|1,0,0]=3 1418 B12R1.225 C[C@@H]([C@@H](c1cccc(c1)O)O)N TS61334 [0,2,0,0,0,0|1,0,0]=3 1419 B12R1.354 CC[C@H](c1cc(ccc1C)C)N TS11748 [0,2,0,0,0,0|2,0,0]=4 1420 B12R1.435 COc1cccc(c1)C(CN)O TS38508 [0,2,0,0,0,0|1,0,0]=3 1421 B12R1.124 CC(c1ccccc1Cl)C(=O)O TS15383 [0,2,0,0,0,0|1,0,1]=4 1422 B12R1.124 CC(c1ccccc1O)C(=O)O TS12173 [0,2,0,0,0,0|1,0,1]=4 1423 B12R1.564 CC(C)(C)C(c1ccccc1)N TS11744 [0,2,0,0,0,0|2,0,0]=4 1424 B12R1.564 CC(C)(C)C(c1ccccc1)O TS42795 [0,2,0,0,0,0|2,0,0]=4 1425 B12R1.564 c1ccc(cc1)C(C(Cl)(Cl)Cl)O TS24060 [0,2,0,0,0,0|2,0,0]=4 1426 B12R1.564 c1ccc(cc1)C(C(F)(F)F)N TS13635 [0,2,0,0,0,0|2,0,0]=4 1427 B12R1.564 c1ccc(cc1)C(C(F)(F)F)N TS44067 [0,2,0,0,0,0|2,0,0]=4 1428 B12R1.564 c1ccc(cc1)C(C(F)(F)F)O TS13785 [0,2,0,0,0,0|2,0,0]=4 1429 B12R1.564 c1ccc(cc1)[C@@H](C(F)(F)F)N TS07862 [0,2,0,0,0,0|2,0,0]=4 1430 B12R1.564 c1ccc(cc1)[C@@H](C(F)(F)F)N TS44065 [0,2,0,0,0,0|2,0,0]=4 1431 B12R1.564 c1ccc(cc1)[C@@H](C(F)(F)F)O TS13781 [0,2,0,0,0,0|2,0,0]=4 1432 B12R1.564 c1ccc(cc1)[C@H](C(F)(F)F)N TS39564 [0,2,0,0,0,0|2,0,0]=4 1433 B12R1.564 c1ccc(cc1)[C@H](C(F)(F)F)N TS44066 [0,2,0,0,0,0|2,0,0]=4 1434 B12R1.564 c1ccc(cc1)[C@H](C(F)(F)F)O TS13780 [0,2,0,0,0,0|2,0,0]=4 1435 B12R1.77 COc1ccccc1C(CN)O TS38513 [0,2,0,0,0,0|1,0,0]=3 1436 B10R2.6 c1ccc(cc1)C2CC2 TS32348 [1,0,0,1,0,0|0,0,0]=2 1437 B10R2.6 c1ccc(cc1)C2CO2 TS04809 [1,0,0,1,0,0|1,0,0]=3 1438 B10R2.6 c1ccc(cc1)[C@@H]2CO2 TS59486 [1,0,0,1,0,0|1,0,0]=3 1439 B10R2.6 c1ccc(cc1)[C@H]2CO2 TS59491 [1,0,0,1,0,0|1,0,0]=3 1440 B10R2.6 c1cnc(nc1)C2CC2 TS89415 [1,0,0,1,0,0|2,0,0]=4 1441 B10R2.320 c1ccc2c(c1)CC2=O TS55758 [1,0,0,1,0,0|1,0,1]=4 1442 B10R2.320 c1ccc2c(c1)CC2Br TS48022 [1,0,0,1,0,0|1,0,0]=3 1443 B10R2.7 c1cc2c(nc1)CCC2 TS00545 [1,0,0,1,0,0|2,0,0]=4 1444 B10R2.7 c1cc2c(nc1)NCC2 TS55646 [1,0,0,1,0,0|1,0,0]=3 1445 B10R2.7 c1ccc2c(c1)CC=C2 TS21648 [1,0,0,1,0,0|1,0,1]=4 1446 B10R2.7 c1ccc2c(c1)CC=C2 TS39603 [1,0,0,1,0,0|1,0,1]=4 1447 B10R2.7 c1ccc2c(c1)CCC2 TS77139 [1,0,0,1,0,0|1,0,0]=3 1448 B10R2.7 c1ccc2c(c1)CCN2 TS00565 [1,0,0,1,0,0|0,0,0]=2 1449 B10R2.7 c1ccc2c(c1)CCO2 TS00572 [1,0,0,1,0,0|1,0,0]=3 1450 B10R2.7 c1ccc2c(c1)CNN2 TS04812 [1,0,0,1,0,0|1,0,0]=3 1451 B10R2.7 c1ccc2c(c1)COC2 TS04810 [1,0,0,1,0,0|2,0,0]=4 1452 B10R2.7 c1ccc2c(c1)NCN2 TS04813 [1,0,0,1,0,0|1,0,0]=3 1453 B10R2.7 c1ccc2c(c1)OCO2 TS39811 [1,0,0,1,0,0|2,0,0]=4 1454 B10R2.7 c1ccc2c(c1)SCS2 TS26450 [1,0,0,1,0,0|2,0,0]=4 1455 B10R2.7 c1ccc2c(c1)[nH]cn2 TS04721 [1,0,0,1,0,0|1,0,1]=4 1456 B10R2.7 c1ccc2c(c1)[nH]nn2 TS04780 [1,0,0,1,0,0|2,0,0]=4 1457 B10R2.7 c1ccc2c(c1)cc[nH]2 TS59671 [1,0,0,1,0,0|0,0,2]=4 1458 B10R2.7 c1ccc2c(c1)cn[nH]2 TS04722 [1,0,0,1,0,0|1,0,1]=4 1459 B10R2.7 c1ccc2c(c1)cn[nH]2 TS72162 [1,0,0,1,0,0|1,0,1]=4 1460 B12R2.18 CC1Cc2ccccc2C1=O TS07227 [0,0,0,1,0,1|1,0,1]=4 1461 B12R2.18 CC1Cc2ccccc2N1N TS15399 [0,0,0,1,0,1|1,0,0]=3 1462 B12R2.18 CC1Cc2ccccc2N1N TS40679 [0,0,0,1,0,1|1,0,0]=3 1463 B12R2.18 CC1c2ccccc2NC1C TS40570 [0,0,0,1,0,1|1,0,0]=3 1464 B12R2.18 c1ccc2c(c1)C(C(=O)N2)N TS07428 [0,0,0,1,0,1|1,0,1]=4 1465 B12R2.18 c1ccc2c(c1)CC(C2N)Cl TS38536 [0,0,0,1,0,1|1,0,0]=3 1466 B12R2.18 c1ccc2c(c1)CC(C2N)O TS94593 [0,0,0,1,0,1|1,0,0]=3 1467 B12R2.18 c1ccc2c(c1)CC(C2O)Br TS55072 [0,0,0,1,0,1|2,0,0]=4 1468 B12R2.18 c1ccc2c(c1)CC(C2O)N TS48806 [0,0,0,1,0,1|2,0,0]=4 1469 B12R2.18 c1ccc2c(c1)C[C@@H]([C@@H]2N)O TS07983 [0,0,0,1,0,1|1,0,0]=3 1470 B12R2.18 c1ccc2c(c1)C[C@@H]([C@@H]2O)O TS09875 [0,0,0,1,0,1|2,0,0]=4 1471 B12R2.18 c1ccc2c(c1)C[C@@H]([C@H]2N)O TS07569 [0,0,0,1,0,1|1,0,0]=3 1472 B12R2.18 c1ccc2c(c1)C[C@@H]([C@H]2O)Cl TS44951 [0,0,0,1,0,1|2,0,0]=4 1473 B12R2.18 c1ccc2c(c1)C[C@H]([C@@H]2N)O TS40741 [0,0,0,1,0,1|1,0,0]=3 1474 B12R2.18 c1ccc2c(c1)C[C@H]([C@@H]2O)Br TS21447 [0,0,0,1,0,1|2,0,0]=4 1475 B12R2.18 c1ccc2c(c1)C[C@H]([C@H]2N)O TS07985 [0,0,0,1,0,1|1,0,0]=3 1476 B12R2.24 CC1CCc2ccccc2N1 TS59877 [0,0,0,1,0,1|1,0,0]=3 1477 B12R2.24 CC1COc2ccccc2N1 TS40752 [0,0,0,1,0,1|1,0,0]=3 1478 B12R2.24 CC1Cc2ccccc2CN1 TS40571 [0,0,0,1,0,1|2,0,0]=4 1479 B12R2.24 c1ccc2c(c1)CC(CN2)N TS40678 [0,0,0,1,0,1|1,0,0]=3 1480 B12R2.24 c1ccc2c(c1)CC(CO2)N TS40753 [0,0,0,1,0,1|2,0,0]=4 1481 B12R2.24 c1ccc2c(c1)CC(CO2)N TS48810 [0,0,0,1,0,1|2,0,0]=4 1482 B12R2.24 c1ccc2c(c1)CC(CS2)N TS12090 [0,0,0,1,0,1|2,0,0]=4 1483 B12R2.24 c1ccc2c(c1)CCC(C2)N TS08739 [0,0,0,1,0,1|2,0,0]=4 1484 B12R2.24 c1ccc2c(c1)CCC(C2)N TS46761 [0,0,0,1,0,1|2,0,0]=4 1485 B12R2.24 c1ccc2c(c1)CCC(C2)O TS07471 [0,0,0,1,0,1|2,0,0]=4 1486 B12R2.24 c1ccc2c(c1)CC[C@@H](C2)N TS07859 [0,0,0,1,0,1|2,0,0]=4 1487 B12R2.24 c1ccc2c(c1)NCC(=O)N2 TS32785 [0,0,0,1,0,1|1,0,1]=4 1488 B12R2.27 c1ccc(cc1)[C@@H]2[C@H](O2)CO TS09858 [0,0,0,1,0,1|2,0,0]=4 1489 B12R2.27 c1ccc(cc1)[C@H]2[C@@H](O2)CO TS40848 [0,0,0,1,0,1|2,0,0]=4 1490 B12R2.32 CCC1=Cc2ccccc2C1 TS07003 [0,0,0,1,0,1|1,0,1]=4 1491 B12R2.32 CNC1Cc2ccccc2C1 TS15214 [0,0,0,1,0,1|2,0,0]=4 1492 B12R2.32 c1ccc2c(c1)CC(N2)CO TS40762 [0,0,0,1,0,1|1,0,0]=3 1493 B12R2.32 c1ccc2c(c1)CC(O2)CN TS15534 [0,0,0,1,0,1|0,0,0]=2 1494 B12R2.32 c1ccc2c(c1)C[C@H](N2)CO TS40740 [0,0,0,1,0,1|1,0,0]=3 1495 B12R2.32 c1ccc2c(c1)cc([nH]2)CN TS46492 [0,0,0,1,0,1|0,0,2]=4 1496 B12R2.32 c1ccc2c(c1)cc(s2)CN TS42619 [0,0,0,1,0,1|0,0,2]=4 1497 B12R2.32 c1ccc2c(c1)nc(o2)CN TS55755 [0,0,0,1,0,1|1,0,1]=4 1498 B12R2.32 c1ccc2c(c1)nc(s2)CN TS19126 [0,0,0,1,0,1|1,0,1]=4 1499 B12R2.2058 c1ccc(cc1)OC2CNC2 TS87035 [0,0,0,1,0,1|0,0,0]=2 1500 B12R2.2058 c1ccc(cc1)SC2CCC2 TS42808 [0,0,0,1,0,1|1,0,0]=3 1501 B12R2.48 c1ccc(cc1)C2(CC2)C#N TS59674 [0,1,0,1,0,0|0,0,2]=4 1502 B12R2.48 c1ccc(cc1)C2(CC2)CN TS40561 [0,1,0,1,0,0|0,0,0]=2 1503 B12R2.116 CC1(CNC1)c2ccccc2 TS40568 [0,1,0,1,0,0|0,0,0]=2 1504 B12R2.116 c1ccc(cc1)C2(CNC2)O TS89110 [0,1,0,1,0,0|0,0,0]=2 1505 B12R2.116 c1ccc(cc1)C2(COC2)N TS89065 [0,1,0,1,0,0|1,0,0]=3 1506 B12R2.116 c1ccc(cc1)C2(COC2)O TS86474 [0,1,0,1,0,0|1,0,0]=3 1507 B12R2.2403 CC1(CNc2c1cccc2)C TS86357 [0,1,0,1,0,0|0,0,0]=2 1508 B12R2.2403 CC1(c2ccccc2CN1)C TS87925 [0,1,0,1,0,0|2,0,0]=4 1509 B12R2.1 CCc1c[nH]c2c1cccc2 TS40329 [0,1,0,1,0,0|0,0,2]=4 1510 B12R2.1 COc1c2ccccc2[nH]n1 TS91723 [0,1,0,1,0,0|1,0,1]=4 1511 B12R2.1 c1ccc2c(c1)CCC2C=O TS07225 [0,1,0,1,0,0|1,0,1]=4 1512 B12R2.1 c1ccc2c(c1)CCC2CN TS40569 [0,1,0,1,0,0|0,0,0]=2 1513 B12R2.1 c1ccc2c(c1)c(c[nH]2)CN TS46493 [0,1,0,1,0,0|0,0,2]=4 1514 B12R2.1 c1ccc2c(c1)c(c[nH]2)CO TS09190 [0,1,0,1,0,0|0,0,2]=4 1515 B12R2.1 c1ccc2c(c1)c(c[nH]2)CO TS42902 [0,1,0,1,0,0|0,0,2]=4 1516 B12R2.1 c1ccc2c(c1)c(cs2)CN TS11736 [0,1,0,1,0,0|0,0,2]=4 1517 B12R2.1 c1ccc2c(c1)c(cs2)CN TS37824 [0,1,0,1,0,0|0,0,2]=4 1518 B12R2.1 c1ccc2c(c1)c(n[nH]2)CN TS15193 [0,1,0,1,0,0|1,0,1]=4 1519 B12R2.1 c1ccc2c(c1)c(n[nH]2)CN TS88235 [0,1,0,1,0,0|1,0,1]=4 1520 B12R2.1 c1ccc2c(c1)c(n[nH]2)CO TS40622 [0,1,0,1,0,0|1,0,1]=4 1521 B12R2.2 c1cc(cnc1)C2CCCN2 TS55881 [0,1,0,1,0,0|2,0,0]=4 1522 B12R2.2 c1cc(cnc1)C2CCNC2 TS02502 [0,1,0,1,0,0|1,0,0]=3 1523 B12R2.2 c1cc(cnc1)C2CCNC2 TS23241 [0,1,0,1,0,0|1,0,0]=3 1524 B12R2.2 c1ccc(cc1)C2=CCCC2 TS07010 [0,1,0,1,0,0|1,0,1]=4 1525 B12R2.2 c1ccc(cc1)C2CC=NN2 TS40445 [0,1,0,1,0,0|1,0,1]=4 1526 B12R2.2 c1ccc(cc1)C2CCCC2 TS07262 [0,1,0,1,0,0|1,0,0]=3 1527 B12R2.2 c1ccc(cc1)C2CCCN2 TS65643 [0,1,0,1,0,0|1,0,0]=3 1528 B12R2.2 c1ccc(cc1)C2CCCO2 TS86553 [0,1,0,1,0,0|1,0,0]=3 1529 B12R2.2 c1ccc(cc1)C2CCNC2 TS02878 [0,1,0,1,0,0|0,0,0]=2 1530 B12R2.2 c1ccc(cc1)C2CCNC2 TS48496 [0,1,0,1,0,0|0,0,0]=2 1531 B12R2.2 c1ccc(cc1)C2NCCS2 TS12086 [0,1,0,1,0,0|2,0,0]=4 1532 B12R2.2 c1ccc(cc1)C2OCCO2 TS09861 [0,1,0,1,0,0|2,0,0]=4 1533 B12R2.2 c1ccc(cc1)N2CCCC2 TS40567 [0,1,0,1,0,0|2,0,0]=4 1534 B12R2.2 c1ccc(cc1)[C@H]2CCNC2 TS15212 [0,1,0,1,0,0|0,0,0]=2 1535 B12R2.2 c1ccc(cc1)[S+]2CCCC2 TS60856 [0,1,0,1,0,0|2,0,0]=4 1536 B12R2.2 c1ccnc(c1)C2CCCN2 TS40681 [0,1,0,1,0,0|2,0,0]=4 1537 B12R2.2 c1ccnc(c1)C2CCNC2 TS08831 [0,1,0,1,0,0|1,0,0]=3 1538 B12R2.2 c1cnccc1C2CCCN2 TS03187 [0,1,0,1,0,0|2,0,0]=4 1539 B12R2.2 c1cnccc1C2CCNC2 TS40676 [0,1,0,1,0,0|1,0,0]=3 1540 B12R2.22 c1ccc(cc1)C2CC(=O)C2 TS89513 [0,1,0,1,0,0|1,0,0]=3 1541 B12R2.22 c1ccc(cc1)C2CC(=O)N2 TS40527 [0,1,0,1,0,0|1,0,1]=4 1542 B12R2.22 c1ccc(cc1)N2CC(C2)O TS92510 [0,1,0,1,0,0|2,0,0]=4 1543 B12R2.22 c1ccc(cc1)[C@H]2C[C@@H](C2)N TS92833 [0,1,0,1,0,0|0,0,0]=2 1544 B12R2.22 c1ccc(cc1)[C@H]2C[C@H](C2)N TS87812 [0,1,0,1,0,0|0,0,0]=2 1545 B12R2.22 c1ccc(cc1)[C@H]2C[C@H](C2)N TS92597 [0,1,0,1,0,0|0,0,0]=2 1546 B12R2.1081 CC1CCNc2c1cccc2 TS07373 [0,1,0,1,0,0|0,0,0]=2 1547 B12R2.1081 CN1CCCc2c1cccc2 TS85270 [0,1,0,1,0,0|2,0,0]=4 1548 B12R2.1081 c1ccc2c(c1)C(=O)CCN2 TS00567 [0,1,0,1,0,0|1,0,1]=4 1549 B12R2.1081 c1ccc2c(c1)C(CCN2)N TS40665 [0,1,0,1,0,0|1,0,0]=3 1550 B12R2.1081 c1ccc2c(c1)C(CCO2)N TS48812 [0,1,0,1,0,0|2,0,0]=4 1551 B12R2.1081 c1ccc2c(c1)C(CCO2)N TS55814 [0,1,0,1,0,0|2,0,0]=4 1552 B12R2.1081 c1ccc2c(c1)C(CCO2)O TS09864 [0,1,0,1,0,0|2,0,0]=4 1553 B12R2.1081 c1ccc2c(c1)C(CCS2)N TS12088 [0,1,0,1,0,0|2,0,0]=4 1554 B12R2.1081 c1ccc2c(c1)C(CCS2)O TS12277 [0,1,0,1,0,0|2,0,0]=4 1555 B12R2.1081 c1ccc2c(c1)CCCC2N TS46759 [0,1,0,1,0,0|2,0,0]=4 1556 B12R2.1081 c1ccc2c(c1)CCCC2N TS48498 [0,1,0,1,0,0|2,0,0]=4 1557 B12R2.1081 c1ccc2c(c1)CCCC2O TS40646 [0,1,0,1,0,0|2,0,0]=4 1558 B12R2.1081 c1ccc2c(c1)CCC[C@@H]2N TS08922 [0,1,0,1,0,0|2,0,0]=4 1559 B12R2.1081 c1ccc2c(c1)CCC[C@@H]2N TS48497 [0,1,0,1,0,0|2,0,0]=4 1560 B12R2.1081 c1ccc2c(c1)CCC[C@@H]2O TS40651 [0,1,0,1,0,0|2,0,0]=4 1561 B12R2.1081 c1ccc2c(c1)CCC[C@H]2N TS15209 [0,1,0,1,0,0|2,0,0]=4 1562 B12R2.1081 c1ccc2c(c1)CCC[C@H]2N TS40559 [0,1,0,1,0,0|2,0,0]=4 1563 B12R2.1081 c1ccc2c(c1)CCC[C@H]2O TS40650 [0,1,0,1,0,0|2,0,0]=4 1564 B12R2.1081 c1ccc2c(c1)CNCC2O TS40756 [0,1,0,1,0,0|1,0,0]=3 1565 B12R2.1081 c1ccc2c(c1)COCC2N TS65761 [0,1,0,1,0,0|2,0,0]=4 1566 B12R2.1081 c1ccc2c(c1)[C@@H](CCO2)N TS00222 [0,1,0,1,0,0|2,0,0]=4 1567 B12R2.1081 c1ccc2c(c1)[C@@H](CCO2)N TS15532 [0,1,0,1,0,0|2,0,0]=4 1568 B12R2.1081 c1ccc2c(c1)[C@H](CCO2)N TS00223 [0,1,0,1,0,0|2,0,0]=4 1569 B12R2.1081 c1ccc2c(c1)[C@H](CCO2)N TS48807 [0,1,0,1,0,0|2,0,0]=4 1570 B12R2.2028 CC1CC(=O)c2c1cccc2 TS07233 [0,1,0,1,0,0|1,0,0]=3 1571 B12R2.2028 c1ccc2c(c1)C(CC2O)O TS40841 [0,1,0,1,0,0|2,0,0]=4 1572 B12R2.290 Cc1ccc(cc1)C2(CC2)N TS40560 [0,1,0,1,0,0|2,0,0]=4 1573 B12R2.290 c1cc(ccc1C2(CC2)N)Br TS44121 [0,1,0,1,0,0|2,0,0]=4 1574 B12R2.290 c1cc(ccc1C2(CC2)N)F TS10057 [0,1,0,1,0,0|2,0,0]=4 1575 B12R2.612 C[C@@H]1c2ccc(cc2CN1)Br TS93564 [0,1,0,1,0,0|2,0,0]=4 1576 B12R2.612 Cc1c2ccc(cc2[nH]n1)Br TS87005 [0,1,0,1,0,0|1,0,1]=4 1577 B12R2.612 Cc1c2ccc(cc2[nH]n1)I TS85999 [0,1,0,1,0,0|1,0,1]=4 1578 B12R2.612 Cc1c2ccc(cc2[nH]n1)N TS88598 [0,1,0,1,0,0|1,0,1]=4 1579 B12R2.612 Cc1c2ccc(cc2[nH]n1)O TS55602 [0,1,0,1,0,0|1,0,1]=4 1580 B12R2.132 Cc1c2cc(ccc2[nH]n1)Br TS16992 [0,1,0,1,0,0|1,0,1]=4 1581 B12R2.132 Cc1c2cc(ccc2[nH]n1)Br TS85407 [0,1,0,1,0,0|1,0,1]=4 1582 B12R2.132 Cc1c2cc(ccc2[nH]n1)N TS40549 [0,1,0,1,0,0|1,0,1]=4 1583 B12R2.132 Cc1c2cc(ccc2[nH]n1)O TS07432 [0,1,0,1,0,0|1,0,1]=4 1584 B12R2.132 Cc1c[nH]c2c1cc(cc2)Cl TS12106 [0,1,0,1,0,0|0,0,2]=4 1585 B12R2.132 Cc1c[nH]c2c1cc(cc2)F TS03313 [0,1,0,1,0,0|0,0,2]=4 1586 B12R2.132 c1cc2c(cc1Br)C(=O)CN2 TS21234 [0,1,0,1,0,0|1,0,1]=4 1587 B12R2.132 c1cc2c(cc1Br)C(CO2)N TS94367 [0,1,0,1,0,0|2,0,0]=4 1588 B12R2.132 c1cc2c(cc1Br)[C@@H](CC2)N TS86271 [0,1,0,1,0,0|2,0,0]=4 1589 B12R2.132 c1cc2c(cc1Br)[C@H](CC2)N TS86272 [0,1,0,1,0,0|2,0,0]=4 1590 B12R2.132 c1cc2c(cc1Cl)C(CC2)N TS60095 [0,1,0,1,0,0|2,0,0]=4 1591 B12R2.132 c1cc2c(cc1Cl)C(CO2)N TS12727 [0,1,0,1,0,0|2,0,0]=4 1592 B12R2.132 c1cc2c(cc1Cl)C(CO2)N TS20097 [0,1,0,1,0,0|2,0,0]=4 1593 B12R2.132 c1cc2c(cc1F)C(CC2)N TS50631 [0,1,0,1,0,0|2,0,0]=4 1594 B12R2.132 c1cc2c(cc1F)[C@@H](CC2)N TS10054 [0,1,0,1,0,0|2,0,0]=4 1595 B12R2.132 c1cc2c(cc1O)[C@@H](CC2)N TS90694 [0,1,0,1,0,0|2,0,0]=4 1596 B12R2.132 c1cc2c(cc1O)[C@H](CC2)N TS91190 [0,1,0,1,0,0|2,0,0]=4 1597 B12R2.196 Cc1c2cccc(c2[nH]n1)Br TS90467 [0,1,0,1,0,0|1,0,1]=4 1598 B12R2.196 Cc1c2cccc(c2[nH]n1)O TS40613 [0,1,0,1,0,0|1,0,1]=4 1599 B12R2.196 c1cc2c(c(c1)Cl)CCC2N TS38540 [0,1,0,1,0,0|2,0,0]=4 1600 B12R2.196 c1cc2c(c(c1)F)CCC2N TS50630 [0,1,0,1,0,0|2,0,0]=4 1601 B12R2.196 c1cc2c(c(c1)F)CC[C@@H]2N TS10051 [0,1,0,1,0,0|2,0,0]=4 1602 B12R2.1282 Cc1cccc(c1)C2(CC2)N TS40562 [0,1,0,1,0,0|2,0,0]=4 1603 B12R2.1282 c1cc(cc(c1)Br)C2(CC2)N TS44122 [0,1,0,1,0,0|2,0,0]=4 1604 B12R2.1282 c1cc(cc(c1)F)C2(CC2)N TS10055 [0,1,0,1,0,0|2,0,0]=4 1605 B12R2.1282 c1cc(cc(c1)F)C2(CC2)N TS50632 [0,1,0,1,0,0|2,0,0]=4 1606 B12R2.2313 c1cc(cc(c1)Br)C2COC2 TS91734 [0,1,0,1,0,0|1,0,0]=3 1607 B12R2.92 c1ccc(cc1)C2CC2(Cl)Cl TS07992 [0,1,0,1,0,0|1,0,0]=3 1608 B12R2.92 c1ccc(cc1)C2CC2(F)F TS10399 [0,1,0,1,0,0|1,0,0]=3 1609 B12R2.3190 c1ccc2c(c1)CC2C(=O)O TS39585 [0,1,0,1,0,0|1,0,1]=4 1610 B12R2.88 c1ccc(c(c1)C2(CC2)N)Br TS44123 [0,1,0,1,0,0|2,0,0]=4 1611 B12R2.88 c1ccc(c(c1)C2(CC2)N)F TS10053 [0,1,0,1,0,0|2,0,0]=4 1612 B12R2.203 Cc1c2c(cccc2Br)[nH]n1 TS88903 [0,1,0,1,0,0|1,0,1]=4 1613 B12R3.12 c1ccc2c(c1)CC3C2O3 TS09192 [0,0,0,2,0,0|2,0,0]=4 1614 B8R1.7 CC(C)C1=CC=CC1 TS04141 [1,0,0,0,1,0|0,0,1]=3 1615 B8R1.7 CC(C)C1C=CC=C1 TS31786 [1,0,0,0,1,0|0,0,1]=3 1616 B8R1.7 CC(C)c1[nH]ccn1 TS04207 [1,0,0,0,1,0|2,0,0]=4 1617 B8R1.7 CC(C)c1cc[nH]n1 TS04205 [1,0,0,0,1,0|2,0,0]=4 1618 B8R1.7 CC(C)n1cccn1 TS04211 [1,0,0,0,1,0|2,0,0]=4 1619 B8R1.7 CC(C)n1ccnc1 TS04209 [1,0,0,0,1,0|2,0,0]=4 1620 B8R1.7 CC(c1ccco1)N TS04253 [1,0,0,0,1,0|1,0,0]=3 1621 B8R1.7 CC(c1ccco1)O TS31898 [1,0,0,0,1,0|2,0,0]=4 1622 B8R1.7 CC(c1ccoc1)N TS31874 [1,0,0,0,1,0|1,0,0]=3 1623 B8R1.7 CC(c1cscn1)N TS77127 [1,0,0,0,1,0|2,0,0]=4 1624 B8R1.7 CN(C)c1cccs1 TS36249 [1,0,0,0,1,0|2,0,0]=4 1625 B8R1.7 C[C@@H](c1cccs1)O TS05368 [1,0,0,0,1,0|2,0,0]=4 1626 B8R1.7 C[C@H](c1ccco1)O TS31904 [1,0,0,0,1,0|2,0,0]=4 1627 B8R1.7 C[C@H](c1cccs1)O TS08060 [1,0,0,0,1,0|2,0,0]=4 1628 B8R1.8 CCCc1ccco1 TS31836 [1,0,0,0,1,0|2,0,0]=4 1629 B8R1.8 CCCc1cccs1 TS36171 [1,0,0,0,1,0|2,0,0]=4 1630 B8R1.8 CCCc1ccsc1 TS36172 [1,0,0,0,1,0|2,0,0]=4 1631 B8R1.8 c1c(ncs1)CCN TS36318 [1,0,0,0,1,0|2,0,0]=4 1632 B8R1.8 c1c[nH]nc1CCN TS31879 [1,0,0,0,1,0|2,0,0]=4 1633 B8R1.8 c1cc(oc1)CCO TS31915 [1,0,0,0,1,0|2,0,0]=4 1634 B8R1.8 c1cc(sc1)CCBr TS51245 [1,0,0,0,1,0|2,0,0]=4 1635 B8R1.8 c1cc(sc1)CCN TS46632 [1,0,0,0,1,0|1,0,0]=3 1636 B8R1.8 c1cc(sc1)CCN TS65662 [1,0,0,0,1,0|1,0,0]=3 1637 B8R1.8 c1cc(sc1)CCN TS93665 [1,0,0,0,1,0|1,0,0]=3 1638 B8R1.8 c1cc(sc1)CCO TS65661 [1,0,0,0,1,0|2,0,0]=4 1639 B8R1.8 c1cc(sc1)CNN TS86129 [1,0,0,0,1,0|2,0,0]=4 1640 B8R1.8 c1ccn(c1)CCBr TS08145 [1,0,0,0,1,0|2,0,0]=4 1641 B8R1.8 c1ccn(c1)CCCl TS05507 [1,0,0,0,1,0|2,0,0]=4 1642 B8R1.8 c1ccn(c1)CCN TS08216 [1,0,0,0,1,0|1,0,0]=3 1643 B8R1.8 c1ccn(c1)CCO TS31872 [1,0,0,0,1,0|2,0,0]=4 1644 B8R1.8 c1cn(cn1)CCN TS85402 [1,0,0,0,1,0|2,0,0]=4 1645 B8R1.8 c1coc(n1)CCN TS00111 [1,0,0,0,1,0|2,0,0]=4 1646 B8R1.8 c1csc(n1)CCN TS11967 [1,0,0,0,1,0|2,0,0]=4 1647 B8R1.8 c1cscc1CCN TS36246 [1,0,0,0,1,0|1,0,0]=3 1648 B8R1.8 c1cscc1CCO TS01729 [1,0,0,0,1,0|2,0,0]=4 1649 B8R1.8 c1cscc1CCO TS37040 [1,0,0,0,1,0|2,0,0]=4 1650 B8R1.8 c1cscc1CNN TS89281 [1,0,0,0,1,0|2,0,0]=4 1651 B12R1.27 CC(CCc1ccccc1)[N+]#[C-] TS42077 [0,0,0,0,0,2|2,0,0]=4 1652 B12R1.27 CC(CO)NCc1ccccc1 TS12060 [0,0,0,0,0,2|1,0,0]=3 1653 B12R1.27 CCC(C#Cc1ccccc1)O TS42190 [0,0,0,0,0,2|2,0,0]=4 1654 B12R1.27 C[C@@H](CO)NCc1ccccc1 TS42935 [0,0,0,0,0,2|1,0,0]=3 1655 B12R1.27 c1ccc(cc1)COC(=O)CN TS01384 [0,0,0,0,0,2|1,0,1]=4 1656 B12R1.27 c1ccc(cc1)COC(=O)CN TS42888 [0,0,0,0,0,2|1,0,1]=4 1657 B12R1.27 c1ccc(cc1)COC(=O)CN TS78338 [0,0,0,0,0,2|1,0,1]=4 1658 B12R1.27 c1ccc(cc1)OCC(CN)O TS43251 [0,0,0,0,0,2|1,0,0]=3 1659 B12R1.27 c1ccc(cc1)OCC(CO)O TS44861 [0,0,0,0,0,2|2,0,0]=4