0 B15R2.2226 C=C(c1ccccc1)c2ccccc2 TS47963 [0,0,0,0,0,0|1,0,0]=1 1 B15R2.2226 CC(c1ccccc1)c2ccccc2 TS15023 [0,0,0,0,0,0|1,0,1]=2 2 B15R2.2226 CN(c1ccccc1)c2ccccc2 TS01598 [0,0,0,0,0,0|2,0,0]=2 3 B15R2.2226 CP(c1ccccc1)c2ccccc2 TS37893 [0,0,0,0,0,0|2,0,0]=2 4 B15R2.2226 c1ccc(cc1)C(=N)c2ccccc2 TS01883 [0,0,0,0,0,0|1,0,0]=1 5 B15R2.2226 c1ccc(cc1)C(=N)c2ccccc2 TS89112 [0,0,0,0,0,0|1,0,0]=1 6 B15R2.2226 c1ccc(cc1)C(=O)c2ccccc2 TS15142 [0,0,0,0,0,0|0,0,0]=0 7 B15R2.2226 c1ccc(cc1)C(=O)c2ccccc2 TS39855 [0,0,0,0,0,0|0,0,0]=0 8 B15R2.2226 c1ccc(cc1)C(=O)c2ccccn2 TS15141 [0,0,0,0,0,0|1,0,0]=1 9 B15R2.2226 c1ccc(cc1)C(=O)c2cccnc2 TS48433 [0,0,0,0,0,0|1,0,0]=1 10 B15R2.2226 c1ccc(cc1)C(=O)c2ccncc2 TS48434 [0,0,0,0,0,0|1,0,0]=1 11 B15R2.2226 c1ccc(cc1)C(c2ccccc2)Br TS27578 [0,0,0,0,0,0|1,0,1]=2 12 B15R2.2226 c1ccc(cc1)C(c2ccccc2)Cl TS39831 [0,0,0,0,0,0|1,0,1]=2 13 B15R2.2226 c1ccc(cc1)C(c2ccccc2)N TS55747 [0,0,0,0,0,0|1,0,1]=2 14 B15R2.2226 c1ccc(cc1)C(c2ccccc2)N TS55748 [0,0,0,0,0,0|1,0,1]=2 15 B15R2.2226 c1ccc(cc1)C(c2ccccc2)O TS55746 [0,0,0,0,0,0|0,0,2]=2 16 B15R2.2226 c1ccc(cc1)C(c2ccccc2)[SiH3] TS18715 [0,0,0,0,0,0|1,0,1]=2 17 B15R2.2226 c1ccc(cc1)C(c2ccccn2)N TS15295 [0,0,0,0,0,0|2,0,1]=3 18 B15R2.2226 c1ccc(cc1)C(c2cccnc2)O TS15461 [0,0,0,0,0,0|1,0,2]=3 19 B15R2.2226 c1ccc(cc1)C(c2ccncc2)O TS48735 [0,0,0,0,0,0|1,0,2]=3 20 B15R2.2226 c1ccc(cc1)N(c2ccccc2)N TS15296 [0,0,0,0,0,0|2,0,0]=2 21 B15R2.2226 c1ccc(cc1)N(c2ccccc2)N TS49883 [0,0,0,0,0,0|2,0,0]=2 22 B15R2.2226 c1ccc(cc1)P(=O)c2ccccc2 TS38234 [0,0,0,0,0,0|1,0,0]=1 23 B15R2.2226 c1ccc(cc1)P(c2ccccc2)Cl TS23193 [0,0,0,0,0,0|2,0,0]=2 24 B15R2.2226 c1ccc(cc1)S(=N)c2ccccc2 TS49649 [0,0,0,0,0,0|2,0,0]=2 25 B15R2.2226 c1ccc(cc1)S(=O)c2ccccc2 TS19430 [0,0,0,0,0,0|1,0,0]=1 26 B15R2.2226 c1ccc(cc1)[SiH](c2ccccc2)Cl TS49533 [0,0,0,0,0,0|1,1,0]=2 27 B15R2.2226 c1ccc(cc1)[Sn](=O)c2ccccc2 TS57986 [0,0,0,0,0,0|1,0,0]=1 28 B15R2.2226 c1ccc(cc1)[Sn](=S)c2ccccc2 TS75794 [0,0,0,0,0,0|1,1,0]=2 29 B15R2.2226 c1ccnc(c1)C(=O)c2ccccn2 TS48552 [0,0,0,0,0,0|2,0,0]=2 30 B14R2.6 c1ccc(cc1)Cc2ccccc2 TS01904 [1,0,0,0,0,0|0,0,1]=2 31 B14R2.6 c1ccc(cc1)Cc2ccccn2 TS12701 [1,0,0,0,0,0|1,0,1]=3 32 B14R2.6 c1ccc(cc1)Cc2cccnc2 TS65890 [1,0,0,0,0,0|1,0,1]=3 33 B14R2.6 c1ccc(cc1)Cc2ccncc2 TS12697 [1,0,0,0,0,0|1,0,1]=3 34 B14R2.6 c1ccc(cc1)Nc2ccccc2 TS01903 [1,0,0,0,0,0|1,0,0]=2 35 B14R2.6 c1ccc(cc1)Nc2ccccc2 TS20068 [1,0,0,0,0,0|1,0,0]=2 36 B14R2.6 c1ccc(cc1)Nc2ccccc2 TS73645 [1,0,0,0,0,0|1,0,0]=2 37 B14R2.6 c1ccc(cc1)Nc2ccccn2 TS45144 [1,0,0,0,0,0|2,0,0]=3 38 B14R2.6 c1ccc(cc1)Nc2cccnc2 TS45149 [1,0,0,0,0,0|2,0,0]=3 39 B14R2.6 c1ccc(cc1)Nc2ccncc2 TS45150 [1,0,0,0,0,0|2,0,0]=3 40 B14R2.6 c1ccc(cc1)Nc2ncccn2 TS45318 [1,0,0,0,0,0|3,0,0]=4 41 B14R2.6 c1ccc(cc1)Oc2ccccc2 TS00243 [1,0,0,0,0,0|1,0,0]=2 42 B14R2.6 c1ccc(cc1)Oc2ccccc2 TS77502 [1,0,0,0,0,0|1,0,0]=2 43 B14R2.6 c1ccc(cc1)Oc2ccccn2 TS65632 [1,0,0,0,0,0|2,0,0]=3 44 B14R2.6 c1ccc(cc1)Oc2ccncc2 TS09762 [1,0,0,0,0,0|2,0,0]=3 45 B14R2.6 c1ccc(cc1)Pc2ccccc2 TS15589 [1,0,0,0,0,0|1,0,0]=2 46 B14R2.6 c1ccc(cc1)Sc2ccccc2 TS55872 [1,0,0,0,0,0|1,0,0]=2 47 B14R2.6 c1ccc(cc1)[GeH2]c2ccccc2 TS52755 [1,0,0,0,0,0|0,1,0]=2 48 B14R2.6 c1ccc(cc1)[Hg]c2ccccc2 TS79271 [1,0,0,0,0,0|1,0,0]=2 49 B14R2.6 c1ccc(cc1)[I+]c2ccccc2 TS58946 [1,0,0,0,0,0|1,0,0]=2 50 B14R2.6 c1ccc(cc1)[I+]c2ccccc2 TS64367 [1,0,0,0,0,0|1,0,0]=2 51 B14R2.6 c1ccc(cc1)[I+]c2ccccc2 TS72224 [1,0,0,0,0,0|1,0,0]=2 52 B14R2.6 c1ccc(cc1)[I+]c2ccccc2 TS76868 [1,0,0,0,0,0|1,0,0]=2 53 B14R2.6 c1ccc(cc1)[I+]c2ccccc2 TS79572 [1,0,0,0,0,0|1,0,0]=2 54 B14R2.6 c1ccc(cc1)[I+]c2ccccc2 TS81334 [1,0,0,0,0,0|1,0,0]=2 55 B14R2.6 c1ccc(cc1)[I+]c2ccccc2 TS81823 [1,0,0,0,0,0|1,0,0]=2 56 B14R2.6 c1ccc(cc1)[I+]c2ccccc2 TS81940 [1,0,0,0,0,0|1,0,0]=2 57 B14R2.6 c1ccc(cc1)[Pb+2]c2ccccc2 TS72387 [1,0,0,0,0,0|1,0,0]=2 58 B14R2.6 c1ccc(cc1)[Se]c2ccccc2 TS53434 [1,0,0,0,0,0|1,0,0]=2 59 B14R2.6 c1ccc(cc1)[SiH2]c2ccccc2 TS48628 [1,0,0,0,0,0|0,1,0]=2 60 B14R2.6 c1ccc(cc1)[Zn]c2ccccc2 TS49675 [1,0,0,0,0,0|1,0,0]=2 61 B14R2.6 c1ccnc(c1)Nc2ccccn2 TS45316 [1,0,0,0,0,0|3,0,0]=4 62 B14R2.6 c1ccnc(c1)Sc2ccccn2 TS50769 [1,0,0,0,0,0|3,0,0]=4 63 B14R2.6 c1cnccc1Nc2ccncc2 TS45321 [1,0,0,0,0,0|3,0,0]=4 64 B14R2.6 c1cnccc1Sc2ccncc2 TS16035 [1,0,0,0,0,0|3,0,0]=4 65 B16R2.120 C=C(c1ccccc1)c2ccc(cc2)Cl TS44624 [0,1,0,0,0,0|1,0,0]=2 66 B16R2.120 CC(c1ccccc1)c2ccc(cc2)O TS54042 [0,1,0,0,0,0|1,0,1]=3 67 B16R2.120 Cc1ccc(cc1)C(=O)c2ccccc2 TS53692 [0,1,0,0,0,0|0,0,0]=1 68 B16R2.120 Cc1ccc(cc1)C(c2ccccc2)Cl TS49196 [0,1,0,0,0,0|1,0,1]=3 69 B16R2.120 Cc1ccc(cc1)C(c2ccccc2)O TS18654 [0,1,0,0,0,0|0,0,2]=3 70 B16R2.120 c1cc(ccc1C(=O)c2ccncc2)Cl TS49333 [0,1,0,0,0,0|1,0,0]=2 71 B16R2.120 c1cc(ccc1C(=O)c2ccncc2)F TS19195 [0,1,0,0,0,0|1,0,0]=2 72 B16R2.120 c1cc(ccc1C(c2ccncc2)N)Cl TS58222 [0,1,0,0,0,0|2,0,1]=4 73 B16R2.120 c1cc(ccc1C(c2ccncc2)O)F TS38440 [0,1,0,0,0,0|1,0,2]=4 74 B16R2.120 c1cc(cnc1)C(=O)c2ccc(cc2)Br TS68569 [0,1,0,0,0,0|1,0,0]=2 75 B16R2.120 c1cc(cnc1)C(=O)c2ccc(cc2)Cl TS49334 [0,1,0,0,0,0|1,0,0]=2 76 B16R2.120 c1cc(cnc1)C(c2ccc(cc2)Cl)N TS58214 [0,1,0,0,0,0|2,0,1]=4 77 B16R2.120 c1ccc(cc1)C(=O)c2ccc(cc2)Br TS68462 [0,1,0,0,0,0|0,0,0]=1 78 B16R2.120 c1ccc(cc1)C(=O)c2ccc(cc2)Cl TS49182 [0,1,0,0,0,0|0,0,0]=1 79 B16R2.120 c1ccc(cc1)C(=O)c2ccc(cc2)F TS18991 [0,1,0,0,0,0|0,0,0]=1 80 B16R2.120 c1ccc(cc1)C(=O)c2ccc(cc2)I TS76231 [0,1,0,0,0,0|0,0,0]=1 81 B16R2.120 c1ccc(cc1)C(=O)c2ccc(cc2)N TS53865 [0,1,0,0,0,0|0,0,0]=1 82 B16R2.120 c1ccc(cc1)C(=O)c2ccc(cc2)O TS54010 [0,1,0,0,0,0|0,0,0]=1 83 B16R2.120 c1ccc(cc1)C(=O)c2ccc(cn2)Br TS68570 [0,1,0,0,0,0|1,0,0]=2 84 B16R2.120 c1ccc(cc1)C(=O)c2ccc(nc2)Br TS68572 [0,1,0,0,0,0|1,0,0]=2 85 B16R2.120 c1ccc(cc1)C(=O)c2ccc(nc2)Cl TS49335 [0,1,0,0,0,0|1,0,0]=2 86 B16R2.120 c1ccc(cc1)C(c2ccc(cc2)Br)O TS29889 [0,1,0,0,0,0|0,0,2]=3 87 B16R2.120 c1ccc(cc1)C(c2ccc(cc2)Cl)Cl TS26004 [0,1,0,0,0,0|1,0,1]=3 88 B16R2.120 c1ccc(cc1)C(c2ccc(cc2)Cl)O TS22511 [0,1,0,0,0,0|0,0,2]=3 89 B16R2.120 c1ccc(cc1)C(c2ccc(cc2)F)Cl TS09124 [0,1,0,0,0,0|1,0,1]=3 90 B16R2.120 c1ccc(cc1)C(c2ccc(cc2)F)O TS19388 [0,1,0,0,0,0|0,0,2]=3 91 B16R2.120 c1ccc(cc1)[C@@H](c2ccc(cc2)Cl)O TS92978 [0,1,0,0,0,0|0,0,2]=3 92 B16R2.120 c1ccc(cc1)[C@H](c2ccc(cc2)Cl)N TS22300 [0,1,0,0,0,0|1,0,1]=3 93 B16R2.120 c1ccnc(c1)C(=O)c2ccc(cc2)Cl TS49332 [0,1,0,0,0,0|1,0,0]=2 94 B16R2.120 c1ccnc(c1)C(c2ccc(cc2)Cl)O TS22842 [0,1,0,0,0,0|1,0,2]=4 95 B16R2.187 CC=C(c1ccccc1)c2ccccc2 TS17925 [0,1,0,0,0,0|1,0,0]=2 96 B16R2.187 CCC(c1ccccc1)c2ccccc2 TS18320 [0,1,0,0,0,0|1,0,1]=3 97 B16R2.187 CCP(c1ccccc1)c2ccccc2 TS21677 [0,1,0,0,0,0|2,0,0]=3 98 B16R2.187 CN=C(c1ccccc1)c2ccccc2 TS18103 [0,1,0,0,0,0|1,0,0]=2 99 B16R2.187 CNC(c1ccccc1)c2ccccc2 TS53887 [0,1,0,0,0,0|1,0,1]=3 100 B16R2.187 COP(c1ccccc1)c2ccccc2 TS49077 [0,1,0,0,0,0|1,0,1]=3 101 B16R2.187 [C-]#[N+]C(c1ccccc1)c2ccccc2 TS51678 [0,1,0,0,0,0|1,0,1]=3 102 B16R2.187 c1ccc(cc1)C(=C=O)c2ccccc2 TS17878 [0,1,0,0,0,0|0,0,0]=1 103 B16R2.187 c1ccc(cc1)C(=CP)c2ccccc2 TS44164 [0,1,0,0,0,0|1,0,0]=2 104 B16R2.187 c1ccc(cc1)C(=NN)c2ccccc2 TS01367 [0,1,0,0,0,0|1,0,0]=2 105 B16R2.187 c1ccc(cc1)C(=NO)c2ccccc2 TS53854 [0,1,0,0,0,0|0,0,1]=2 106 B16R2.187 c1ccc(cc1)C(=NO)c2ccccn2 TS18626 [0,1,0,0,0,0|1,0,1]=3 107 B16R2.187 c1ccc(cc1)C(=[N+]=[N-])c2ccccc2 TS17906 [0,1,0,0,0,0|1,0,0]=2 108 B16R2.187 c1ccc(cc1)C(C#N)c2ccccc2 TS08723 [0,1,0,0,0,0|1,0,1]=3 109 B16R2.187 c1ccc(cc1)C(C#N)c2ccccn2 TS17900 [0,1,0,0,0,0|2,0,1]=4 110 B16R2.187 c1ccc(cc1)C(C=O)c2ccccc2 TS53689 [0,1,0,0,0,0|0,0,1]=2 111 B16R2.187 c1ccc(cc1)C(CN)c2ccccc2 TS53891 [0,1,0,0,0,0|1,0,1]=3 112 B16R2.187 c1ccc(cc1)C(CO)c2ccccc2 TS18662 [0,1,0,0,0,0|0,0,2]=3 113 B16R2.187 c1ccc(cc1)C(c2ccccc2)NN TS54055 [0,1,0,0,0,0|1,0,1]=3 114 B16R2.187 c1ccc(cc1)C(c2ccccc2)[SiH2]Cl TS25310 [0,1,0,0,0,0|1,0,1]=3 115 B16R2.187 c1ccc(cc1)N(C=N)c2ccccc2 TS18292 [0,1,0,0,0,0|2,0,0]=3 116 B16R2.187 c1ccc(cc1)N(C=O)c2ccccc2 TS53871 [0,1,0,0,0,0|1,0,0]=2 117 B16R2.187 c1ccc(cc1)N(c2ccccc2)N=O TS18635 [0,1,0,0,0,0|1,0,0]=2 118 B16R2.187 c1ccnc(c1)C(=NO)c2ccccn2 TS37726 [0,1,0,0,0,0|2,0,1]=4 119 B16R2.236 C=C(c1ccccc1)c2cccc(c2)Cl TS44623 [0,1,0,0,0,0|1,0,0]=2 120 B16R2.236 Cc1cccc(c1)C(=O)c2ccccc2 TS18282 [0,1,0,0,0,0|0,0,0]=1 121 B16R2.236 Cc1cccc(c1)C(c2ccccc2)O TS18652 [0,1,0,0,0,0|0,0,2]=3 122 B16R2.236 c1ccc(cc1)C(=O)c2cccc(c2)Br TS09483 [0,1,0,0,0,0|0,0,0]=1 123 B16R2.236 c1ccc(cc1)C(=O)c2cccc(c2)Cl TS22144 [0,1,0,0,0,0|0,0,0]=1 124 B16R2.236 c1ccc(cc1)C(=O)c2cccc(c2)F TS18993 [0,1,0,0,0,0|0,0,0]=1 125 B16R2.236 c1ccc(cc1)C(=O)c2cccc(c2)N TS53851 [0,1,0,0,0,0|0,0,0]=1 126 B16R2.236 c1ccc(cc1)C(=O)c2cccc(c2)O TS54016 [0,1,0,0,0,0|0,0,0]=1 127 B16R2.236 c1ccc(cc1)C(c2cccc(c2)Cl)N TS63341 [0,1,0,0,0,0|1,0,1]=3 128 B16R2.236 c1ccc(cc1)C(c2cccc(c2)Cl)O TS22516 [0,1,0,0,0,0|0,0,2]=3 129 B16R2.236 c1ccc(cc1)C(c2cccc(c2)F)O TS19389 [0,1,0,0,0,0|0,0,2]=3 130 B16R2.2945 CC(C)(c1ccccc1)c2ccccc2 TS18317 [0,1,0,0,0,0|1,0,1]=3 131 B16R2.2945 CC(c1ccccc1)(c2ccccc2)O TS18651 [0,1,0,0,0,0|0,0,2]=3 132 B16R2.2945 CC(c1ccccc1)(c2ccccn2)O TS85202 [0,1,0,0,0,0|1,0,2]=4 133 B16R2.2945 CP(=O)(c1ccccc1)c2ccccc2 TS49076 [0,1,0,0,0,0|1,0,0]=2 134 B16R2.2945 C[Ge](C)(c1ccccc1)c2ccccc2 TS67941 [0,1,0,0,0,0|1,1,0]=3 135 B16R2.2945 C[P+](C)(c1ccccc1)c2ccccc2 TS78577 [0,1,0,0,0,0|2,0,0]=3 136 B16R2.2945 C[Sn](C)(c1ccccc1)c2ccccc2 TS74828 [0,1,0,0,0,0|2,0,0]=3 137 B16R2.2945 c1ccc(cc1)C(c2ccccc2)(Br)Br TS63373 [0,1,0,0,0,0|1,0,1]=3 138 B16R2.2945 c1ccc(cc1)C(c2ccccc2)(F)F TS38589 [0,1,0,0,0,0|1,0,1]=3 139 B16R2.2945 c1ccc(cc1)P(=O)(c2ccccc2)Cl TS25971 [0,1,0,0,0,0|1,0,0]=2 140 B16R2.2945 c1ccc(cc1)P(=O)(c2ccccc2)N TS22200 [0,1,0,0,0,0|1,0,0]=2 141 B16R2.2945 c1ccc(cc1)P(=O)(c2ccccc2)O TS22358 [0,1,0,0,0,0|1,0,0]=2 142 B16R2.2945 c1ccc(cc1)P(=S)(c2ccccc2)Cl TS63195 [0,1,0,0,0,0|1,1,0]=3 143 B16R2.2945 c1ccc(cc1)P(=S)(c2ccccc2)S TS62886 [0,1,0,0,0,0|1,1,0]=3 144 B16R2.2945 c1ccc(cc1)S(=O)(=O)c2ccccc2 TS49455 [0,1,0,0,0,0|1,0,0]=2 145 B16R2.2945 c1ccc(cc1)[Ge](c2ccccc2)(Cl)Cl TS58774 [0,1,0,0,0,0|1,1,0]=3 146 B16R2.2945 c1ccc(cc1)[Pb](c2ccccc2)(Cl)Cl TS81992 [0,1,0,0,0,0|2,0,0]=3 147 B16R2.2945 c1ccc(cc1)[Se](c2ccccc2)(Cl)Cl TS74900 [0,1,0,0,0,0|2,0,0]=3 148 B16R2.2945 c1ccc(cc1)[Si](c2ccccc2)(Cl)Cl TS28447 [0,1,0,0,0,0|1,1,0]=3 149 B16R2.2945 c1ccc(cc1)[Si](c2ccccc2)(F)F TS23132 [0,1,0,0,0,0|1,1,0]=3 150 B16R2.2945 c1ccc(cc1)[Si](c2ccccc2)(O)O TS22106 [0,1,0,0,0,0|0,1,1]=3 151 B16R2.2945 c1ccc(cc1)[Sn](c2ccccc2)(Cl)Cl TS64399 [0,1,0,0,0,0|2,0,0]=3 152 B16R2.3896 C=C(c1ccccc1)c2ccccc2Cl TS44626 [0,1,0,0,0,0|1,0,0]=2 153 B16R2.3896 Cc1ccccc1C(=O)c2ccccc2 TS18283 [0,1,0,0,0,0|0,0,0]=1 154 B16R2.3896 Cc1ccccc1C(c2ccccc2)Cl TS49197 [0,1,0,0,0,0|1,0,1]=3 155 B16R2.3896 Cc1ccccc1C(c2ccccc2)O TS18657 [0,1,0,0,0,0|0,0,2]=3 156 B16R2.3896 c1ccc(c(c1)C(=O)c2ccccn2)N TS18631 [0,1,0,0,0,0|1,0,0]=2 157 B16R2.3896 c1ccc(cc1)C(=O)c2ccccc2Br TS68463 [0,1,0,0,0,0|0,0,0]=1 158 B16R2.3896 c1ccc(cc1)C(=O)c2ccccc2Cl TS49177 [0,1,0,0,0,0|0,0,0]=1 159 B16R2.3896 c1ccc(cc1)C(=O)c2ccccc2F TS37886 [0,1,0,0,0,0|0,0,0]=1 160 B16R2.3896 c1ccc(cc1)C(=O)c2ccccc2I TS76230 [0,1,0,0,0,0|0,0,0]=1 161 B16R2.3896 c1ccc(cc1)C(=O)c2ccccc2N TS08809 [0,1,0,0,0,0|0,0,0]=1 162 B16R2.3896 c1ccc(cc1)C(=O)c2ccccc2O TS18615 [0,1,0,0,0,0|0,0,0]=1 163 B16R2.3896 c1ccc(cc1)C(=O)c2cccnc2O TS18818 [0,1,0,0,0,0|1,0,0]=2 164 B16R2.3896 c1ccc(cc1)C(c2ccccc2Cl)N TS63342 [0,1,0,0,0,0|1,0,1]=3 165 B16R2.3896 c1ccc(cc1)C(c2ccccc2N)O TS37742 [0,1,0,0,0,0|0,0,2]=3 166 B16R2.3896 c1ccc(cc1)[C@@H](c2ccccc2F)O TS19384 [0,1,0,0,0,0|0,0,2]=3 167 B16R2.3896 c1ccc(cc1)[C@H](c2ccccc2Cl)O TS22512 [0,1,0,0,0,0|0,0,2]=3 168 B16R2.3896 c1ccc(cc1)[C@H](c2ccccc2F)O TS19382 [0,1,0,0,0,0|0,0,2]=3 169 B16R3.20606 CC1c2ccccc2-c3c1cccc3 TS47966 [0,0,0,1,0,0|1,0,1]=3 170 B16R3.20606 Cn1c2ccccc2c3c1cccc3 TS14819 [0,0,0,1,0,0|2,0,0]=3 171 B16R3.20606 c1cc-2c(nc1)C(=O)c3c2cccn3 TS14947 [0,0,0,1,0,0|2,0,0]=3 172 B16R3.20606 c1cc2c(nc1)-c3c(cccn3)C2=O TS14948 [0,0,0,1,0,0|2,0,0]=3 173 B16R3.20606 c1ccc2c(c1)-c3c(cccn3)C2=O TS14781 [0,0,0,1,0,0|1,0,0]=2 174 B16R3.20606 c1ccc2c(c1)-c3ccccc3C2=O TS39867 [0,0,0,1,0,0|0,0,0]=1 175 B16R3.20606 c1ccc2c(c1)-c3ccccc3C2Br TS62118 [0,0,0,1,0,0|1,0,1]=3 176 B16R3.20606 c1ccc2c(c1)-c3ccccc3C2Cl TS38012 [0,0,0,1,0,0|1,0,1]=3 177 B16R3.20606 c1ccc2c(c1)-c3ccccc3C2F TS15271 [0,0,0,1,0,0|1,0,1]=3 178 B16R3.20606 c1ccc2c(c1)-c3ccccc3C2N TS14822 [0,0,0,1,0,0|1,0,1]=3 179 B16R3.20606 c1ccc2c(c1)-c3ccccc3C2N TS22299 [0,0,0,1,0,0|1,0,1]=3 180 B16R3.20606 c1ccc2c(c1)-c3ccccc3C2O TS14984 [0,0,0,1,0,0|0,0,2]=3 181 B14R2.114 c1ccc(cc1)C(=O)c2[nH]ccn2 TS13150 [0,0,0,0,1,0|2,0,0]=3 182 B14R2.114 c1ccc(cc1)C(=O)c2ccc[nH]2 TS45307 [0,0,0,0,1,0|1,0,0]=2 183 B14R2.114 c1ccc(cc1)C(=O)c2cccs2 TS16022 [0,0,0,0,1,0|1,0,0]=2 184 B14R2.114 c1ccc(cc1)C(=O)n2ccnc2 TS13156 [0,0,0,0,1,0|2,0,0]=3 185 B14R2.114 c1ccc(cc1)C(c2ccco2)N TS20817 [0,0,0,0,1,0|2,0,1]=4 186 B14R2.114 c1ccc(cc1)C(c2ccco2)O TS13491 [0,0,0,0,1,0|1,0,2]=4 187 B14R2.114 c1ccc(cc1)C(c2cccs2)N TS52244 [0,0,0,0,1,0|2,0,1]=4 188 B14R2.114 c1ccc(cc1)C(c2cccs2)O TS17127 [0,0,0,0,1,0|1,0,2]=4 189 B14R2.114 c1ccnc(c1)C(=O)c2ccco2 TS13312 [0,0,0,0,1,0|2,0,0]=3 190 B16R2.88 CN(Cc1ccccc1)c2ccccc2 TS53890 [0,0,0,0,0,1|2,0,0]=3 191 B16R2.88 c1ccc(cc1)C(=N)Nc2ccccc2 TS18289 [0,0,0,0,0,1|1,0,0]=2 192 B16R2.88 c1ccc(cc1)C(=O)C[n+]2ccccc2 TS31291 [0,0,0,0,0,1|1,0,0]=2 193 B16R2.88 c1ccc(cc1)C(=O)Cc2ccncn2 TS18628 [0,0,0,0,0,1|2,0,0]=3 194 B16R2.88 c1ccc(cc1)C(=O)Cc2ncccn2 TS59913 [0,0,0,0,0,1|2,0,0]=3 195 B16R2.88 c1ccc(cc1)C(=O)Nc2ccccc2 TS53870 [0,0,0,0,0,1|0,0,0]=1 196 B16R2.88 c1ccc(cc1)C(=O)Nc2ccncc2 TS18625 [0,0,0,0,0,1|1,0,0]=2 197 B16R2.88 c1ccc(cc1)C(=O)Oc2ccccc2 TS18613 [0,0,0,0,0,1|0,0,0]=1 198 B16R2.88 c1ccc(cc1)C(=S)Nc2ccccc2 TS44382 [0,0,0,0,0,1|0,1,0]=2 199 B16R2.88 c1ccc(cc1)C=[N+](c2ccccc2)[O-] TS53850 [0,0,0,0,0,1|1,0,1]=3 200 B16R2.88 c1ccc(cc1)CC(=O)c2ccccc2 TS18287 [0,0,0,0,0,1|0,0,0]=1 201 B16R2.88 c1ccc(cc1)CC(=O)c2ccccn2 TS53868 [0,0,0,0,0,1|1,0,0]=2 202 B16R2.88 c1ccc(cc1)CC(=O)c2cccnc2 TS85356 [0,0,0,0,0,1|1,0,0]=2 203 B16R2.88 c1ccc(cc1)CC(c2ccccc2)N TS00351 [0,0,0,0,0,1|1,0,1]=3 204 B16R2.88 c1ccc(cc1)CN(c2ccccc2)N TS54060 [0,0,0,0,0,1|2,0,0]=3 205 B16R2.88 c1ccc(cc1)CN(c2ccccc2)N TS56580 [0,0,0,0,0,1|2,0,0]=3 206 B16R2.88 c1ccc(cc1)NC(=O)c2cccnc2 TS18629 [0,0,0,0,0,1|1,0,0]=2 207 B16R2.88 c1ccc(cc1)NC(=O)c2cccnc2 TS25653 [0,0,0,0,0,1|1,0,0]=2 208 B16R2.88 c1ccc(cc1)NC(=O)c2ccncc2 TS18634 [0,0,0,0,0,1|1,0,0]=2 209 B16R2.88 c1ccc(cc1)OC(=O)c2cccnc2 TS18804 [0,0,0,0,0,1|1,0,0]=2 210 B16R2.88 c1ccc(cc1)OC(=O)c2ccncc2 TS18802 [0,0,0,0,0,1|1,0,0]=2 211 B16R2.88 c1ccc(cc1)SC(=O)c2cnccn2 TS22072 [0,0,0,0,0,1|2,0,0]=3 212 B15R2.29 Cc1ccc(cc1)Nc2ccccc2 TS48465 [1,1,0,0,0,0|1,0,0]=3 213 B15R2.29 Cc1ccc(cc1)Oc2ccccc2 TS48574 [1,1,0,0,0,0|1,0,0]=3 214 B15R2.29 Cc1ccc(cc1)Sc2ccccc2 TS19061 [1,1,0,0,0,0|1,0,0]=3 215 B15R2.29 c1cc(ccc1Cc2ccncc2)Cl TS38515 [1,1,0,0,0,0|1,0,1]=4 216 B15R2.29 c1cc(ccc1N)Oc2ccncc2 TS70751 [1,1,0,0,0,0|2,0,0]=4 217 B15R2.29 c1ccc(cc1)Cc2ccc(cc2)Br TS27576 [1,1,0,0,0,0|0,0,1]=3 218 B15R2.29 c1ccc(cc1)Cc2ccc(cc2)Cl TS19489 [1,1,0,0,0,0|0,0,1]=3 219 B15R2.29 c1ccc(cc1)Cc2ccc(cc2)F TS48905 [1,1,0,0,0,0|0,0,1]=3 220 B15R2.29 c1ccc(cc1)Cc2ccc(cc2)N TS48455 [1,1,0,0,0,0|0,0,1]=3 221 B15R2.29 c1ccc(cc1)Cc2ccc(cc2)O TS48572 [1,1,0,0,0,0|0,0,1]=3 222 B15R2.29 c1ccc(cc1)Nc2ccc(cc2)Br TS27697 [1,1,0,0,0,0|1,0,0]=3 223 B15R2.29 c1ccc(cc1)Nc2ccc(cc2)Cl TS38521 [1,1,0,0,0,0|1,0,0]=3 224 B15R2.29 c1ccc(cc1)Nc2ccc(cc2)N TS15306 [1,1,0,0,0,0|1,0,0]=3 225 B15R2.29 c1ccc(cc1)Nc2ccc(cc2)N TS49887 [1,1,0,0,0,0|1,0,0]=3 226 B15R2.29 c1ccc(cc1)Nc2ccc(cc2)N TS54530 [1,1,0,0,0,0|1,0,0]=3 227 B15R2.29 c1ccc(cc1)Nc2ccc(cc2)O TS22844 [1,1,0,0,0,0|1,0,0]=3 228 B15R2.29 c1ccc(cc1)Oc2ccc(cc2)Br TS62682 [1,1,0,0,0,0|1,0,0]=3 229 B15R2.29 c1ccc(cc1)Oc2ccc(cc2)Cl TS71067 [1,1,0,0,0,0|1,0,0]=3 230 B15R2.29 c1ccc(cc1)Oc2ccc(cc2)F TS50712 [1,1,0,0,0,0|1,0,0]=3 231 B15R2.29 c1ccc(cc1)Oc2ccc(cc2)I TS58614 [1,1,0,0,0,0|1,0,0]=3 232 B15R2.29 c1ccc(cc1)Oc2ccc(cc2)N TS15460 [1,1,0,0,0,0|1,0,0]=3 233 B15R2.29 c1ccc(cc1)Oc2ccc(cc2)O TS48882 [1,1,0,0,0,0|1,0,0]=3 234 B15R2.29 c1ccc(cc1)Oc2ccc(cc2)S TS19429 [1,1,0,0,0,0|1,0,0]=3 235 B15R2.29 c1ccc(cc1)Oc2ccc(cn2)I TS71575 [1,1,0,0,0,0|2,0,0]=4 236 B15R2.29 c1ccc(cc1)Oc2ccc(cn2)N TS15622 [1,1,0,0,0,0|2,0,0]=4 237 B15R2.29 c1ccc(cc1)Sc2ccc(cc2)Br TS68922 [1,1,0,0,0,0|1,0,0]=3 238 B15R2.29 c1ccc(cc1)Sc2ccc(cc2)Cl TS49888 [1,1,0,0,0,0|1,0,0]=3 239 B15R2.29 c1ccc(cc1)Sc2ccc(cc2)F TS19788 [1,1,0,0,0,0|1,0,0]=3 240 B15R2.29 c1ccc(cc1)Sc2ccc(cc2)N TS19251 [1,1,0,0,0,0|1,0,0]=3 241 B15R2.29 c1ccnc(c1)Cc2ccc(cc2)Cl TS38517 [1,1,0,0,0,0|1,0,1]=4 242 B15R2.29 c1ccnc(c1)Cc2ccc(cc2)N TS15304 [1,1,0,0,0,0|1,0,1]=4 243 B15R2.31 Cc1cccc(c1)Nc2ccccc2 TS39313 [1,1,0,0,0,0|1,0,0]=3 244 B15R2.31 Cc1cccc(c1)Oc2ccccc2 TS48592 [1,1,0,0,0,0|1,0,0]=3 245 B15R2.31 Cc1cccc(c1)Sc2ccccc2 TS19060 [1,1,0,0,0,0|1,0,0]=3 246 B15R2.31 c1ccc(cc1)C[n+]2cccc(c2)O TS23370 [1,1,0,0,0,0|1,0,1]=4 247 B15R2.31 c1ccc(cc1)C[n+]2cccc(c2)O TS30249 [1,1,0,0,0,0|1,0,1]=4 248 B15R2.31 c1ccc(cc1)Cc2cccc(c2)N TS48456 [1,1,0,0,0,0|0,0,1]=3 249 B15R2.31 c1ccc(cc1)Cc2cccc(c2)O TS65889 [1,1,0,0,0,0|0,0,1]=3 250 B15R2.31 c1ccc(cc1)Nc2cccc(c2)Br TS27696 [1,1,0,0,0,0|1,0,0]=3 251 B15R2.31 c1ccc(cc1)Nc2cccc(c2)Cl TS38518 [1,1,0,0,0,0|1,0,0]=3 252 B15R2.31 c1ccc(cc1)Nc2cccc(c2)N TS15313 [1,1,0,0,0,0|1,0,0]=3 253 B15R2.31 c1ccc(cc1)Nc2cccc(c2)O TS15456 [1,1,0,0,0,0|1,0,0]=3 254 B15R2.31 c1ccc(cc1)Oc2cccc(c2)Br TS16747 [1,1,0,0,0,0|1,0,0]=3 255 B15R2.31 c1ccc(cc1)Oc2cccc(c2)N TS48736 [1,1,0,0,0,0|1,0,0]=3 256 B15R2.31 c1ccc(cc1)Oc2cccc(c2)O TS70705 [1,1,0,0,0,0|1,0,0]=3 257 B15R2.38 Cc1ccccc1Sc2ccccc2 TS19059 [1,1,0,0,0,0|1,0,0]=3 258 B15R2.38 c1ccc(cc1)Cc2ccccc2Br TS55162 [1,1,0,0,0,0|0,0,1]=3 259 B15R2.38 c1ccc(cc1)Cc2ccccc2Cl TS19488 [1,1,0,0,0,0|0,0,1]=3 260 B15R2.38 c1ccc(cc1)Cc2ccccc2F TS48906 [1,1,0,0,0,0|0,0,1]=3 261 B15R2.38 c1ccc(cc1)Cc2ccccc2N TS48462 [1,1,0,0,0,0|0,0,1]=3 262 B15R2.38 c1ccc(cc1)Cc2ccccc2O TS48584 [1,1,0,0,0,0|0,0,1]=3 263 B15R2.38 c1ccc(cc1)Nc2ccccc2Br TS27699 [1,1,0,0,0,0|1,0,0]=3 264 B15R2.38 c1ccc(cc1)Nc2ccccc2Cl TS38516 [1,1,0,0,0,0|1,0,0]=3 265 B15R2.38 c1ccc(cc1)Nc2ccccc2N TS15303 [1,1,0,0,0,0|1,0,0]=3 266 B15R2.38 c1ccc(cc1)Oc2ccccc2Cl TS19876 [1,1,0,0,0,0|1,0,0]=3 267 B15R2.38 c1ccc(cc1)Oc2ccccc2F TS50715 [1,1,0,0,0,0|1,0,0]=3 268 B15R2.38 c1ccc(cc1)Oc2ccccc2N TS48739 [1,1,0,0,0,0|1,0,0]=3 269 B15R2.38 c1ccc(cc1)Oc2ccccc2O TS65631 [1,1,0,0,0,0|1,0,0]=3 270 B15R2.38 c1ccc(cc1)Sc2ccccc2N TS19252 [1,1,0,0,0,0|1,0,0]=3 271 B15R2.91 Cc1ccc(cc1)C(=O)c2c[nH]cn2 TS15610 [0,1,0,0,1,0|2,0,0]=4 272 B15R2.91 c1cc(ccc1C(=O)c2nccs2)Cl TS50392 [0,1,0,0,1,0|2,0,0]=4 273 B15R2.91 c1cc(sc1)C(=O)c2ccc(cc2)F TS38990 [0,1,0,0,1,0|1,0,0]=3 274 B15R2.297 c1ccc(cc1)C(=O)c2ccc(s2)Br TS30378 [0,1,0,0,1,0|1,0,0]=3 275 B15R2.297 c1ccc(cc1)C(=O)n2cc(cn2)I TS56006 [0,1,0,0,1,0|2,0,0]=4 276 B15R2.353 c1ccc(cc1)S(=O)(=O)c2cccs2 TS23883 [0,1,0,0,1,0|2,0,0]=4 277 B15R2.353 c1ccc(cc1)S(=O)(=O)c2ccsc2 TS23880 [0,1,0,0,1,0|2,0,0]=4 278 B15R2.353 c1ccc(cc1)S(=O)(=O)n2cccc2 TS16394 [0,1,0,0,1,0|2,0,0]=4 279 B15R2.395 c1ccc(cc1)C(=O)c2ccsc2N TS19621 [0,1,0,0,1,0|1,0,0]=3 280 B15R2.1108 c1cc(cc(c1)Cl)C(=O)c2nccs2 TS50390 [0,1,0,0,1,0|2,0,0]=4 281 B15R2.1108 c1cc(cc(c1)F)C(=O)c2nccs2 TS39170 [0,1,0,0,1,0|2,0,0]=4 282 B17R2.162 CCN(Cc1ccccc1)c2ccccc2 TS21174 [0,1,0,0,0,1|2,0,0]=4 283 B17R2.162 CNC(Cc1ccccc1)c2ccccc2 TS21176 [0,1,0,0,0,1|1,0,1]=4 284 B17R2.162 c1ccc(cc1)C(C#N)Nc2ccccc2 TS20607 [0,1,0,0,0,1|1,0,1]=4 285 B17R2.162 c1ccc(cc1)C=C(C#N)c2ccccc2 TS20007 [0,1,0,0,0,1|1,0,0]=3 286 B17R2.162 c1ccc(cc1)CC(=NO)c2ccccc2 TS94258 [0,1,0,0,0,1|0,0,1]=3 287 B17R2.192 Cc1ccc(cc1)C(=O)Cc2ccccc2 TS43841 [0,1,0,0,0,1|0,0,0]=2 288 B17R2.192 Cc1ccc(cc1)C(=O)Cc2ccncc2 TS21151 [0,1,0,0,0,1|1,0,0]=3 289 B17R2.192 Cc1ccc(cc1)C(=O)Nc2ccccc2 TS44017 [0,1,0,0,0,1|0,0,0]=2 290 B17R2.192 c1cc(ccc1C(=O)Cc2ccncc2)Br TS31090 [0,1,0,0,0,1|1,0,0]=3 291 B17R2.192 c1cc(ccc1C(=O)Cc2ccncc2)Cl TS53236 [0,1,0,0,0,1|1,0,0]=3 292 B17R2.192 c1cc(ccc1C(=O)Cc2ccncc2)F TS46718 [0,1,0,0,0,1|1,0,0]=3 293 B17R2.192 c1cc(ccc1C(=O)Cc2ccncn2)F TS46719 [0,1,0,0,0,1|2,0,0]=4 294 B17R2.192 c1ccc(cc1)CC(=O)c2ccc(cc2)Br TS33677 [0,1,0,0,0,1|0,0,0]=2 295 B17R2.192 c1ccc(cc1)CC(=O)c2ccc(cc2)Cl TS09002 [0,1,0,0,0,1|0,0,0]=2 296 B17R2.192 c1ccc(cc1)CC(=O)c2ccc(cc2)F TS60400 [0,1,0,0,0,1|0,0,0]=2 297 B17R2.192 c1ccc(cc1)CC(=O)c2ccc(cc2)O TS01377 [0,1,0,0,0,1|0,0,0]=2 298 B17R2.192 c1ccc(cc1)NC(=O)c2ccc(cc2)Cl TS53234 [0,1,0,0,0,1|0,0,0]=2 299 B17R2.192 c1ccc(cc1)OC(=O)c2ccc(cc2)N TS44340 [0,1,0,0,0,1|0,0,0]=2 300 B17R2.192 c1ccc(cc1)OC(=O)c2ccc(cc2)O TS21661 [0,1,0,0,0,1|0,0,0]=2 301 B17R2.209 Cc1ccc(cc1)CC(=O)c2ccccc2 TS43845 [0,1,0,0,0,1|0,0,0]=2 302 B17R2.209 Cc1ccc(cc1)CC(=O)c2cccnc2 TS21153 [0,1,0,0,0,1|1,0,0]=3 303 B17R2.209 Cc1ccc(cc1)CC(c2ccccc2)N TS21173 [0,1,0,0,0,1|1,0,1]=4 304 B17R2.209 Cc1ccc(cc1)OC(=O)c2ccccc2 TS21317 [0,1,0,0,0,1|0,0,0]=2 305 B17R2.209 c1cc(ccc1CC(=O)c2ccncc2)F TS21864 [0,1,0,0,0,1|1,0,0]=3 306 B17R2.209 c1ccc(cc1)C(=O)Cc2ccc(cc2)Br TS33682 [0,1,0,0,0,1|0,0,0]=2 307 B17R2.209 c1ccc(cc1)C(=O)Cc2ccc(cc2)F TS21665 [0,1,0,0,0,1|0,0,0]=2 308 B17R2.209 c1ccc(cc1)C(=O)Nc2ccc(cc2)N TS21335 [0,1,0,0,0,1|0,0,0]=2 309 B17R2.209 c1ccc(cc1)C(=O)Oc2ccc(cc2)Cl TS25302 [0,1,0,0,0,1|0,0,0]=2 310 B17R2.209 c1ccc(cc1)C(=O)Oc2ccc(cc2)O TS21663 [0,1,0,0,0,1|0,0,0]=2 311 B17R2.209 c1ccnc(c1)C(=O)Nc2ccc(cc2)Cl TS94812 [0,1,0,0,0,1|1,0,0]=3 312 B17R2.3417 Cc1ccccc1C(=O)Nc2ccccc2 TS44016 [0,1,0,0,0,1|0,0,0]=2 313 B17R2.3417 c1ccc(c(c1)C(=O)Cc2ccncc2)Cl TS53232 [0,1,0,0,0,1|1,0,0]=3 314 B17R2.3417 c1ccc(cc1)CC(=O)c2ccccc2Br TS33675 [0,1,0,0,0,1|0,0,0]=2 315 B17R2.3417 c1ccc(cc1)CC(=O)c2ccccc2N TS21149 [0,1,0,0,0,1|0,0,0]=2 316 B17R2.3417 c1ccc(cc1)NC(=O)c2ccccc2Cl TS53233 [0,1,0,0,0,1|0,0,0]=2 317 B17R2.3417 c1ccc(cc1)NC(=O)c2ccccc2I TS61753 [0,1,0,0,0,1|0,0,0]=2 318 B17R2.3417 c1ccc(cc1)NC(=O)c2ccccc2N TS21333 [0,1,0,0,0,1|0,0,0]=2 319 B17R2.3417 c1ccc(cc1)NC(=O)c2ccccc2O TS44344 [0,1,0,0,0,1|0,0,0]=2 320 B17R2.3417 c1ccc(cc1)OC(=O)c2ccccc2N TS21492 [0,1,0,0,0,1|0,0,0]=2 321 B17R2.3417 c1ccc(cc1)OC(=O)c2ccccc2O TS21660 [0,1,0,0,0,1|0,0,0]=2 322 B17R2.3426 Cc1ccccc1NC(=O)c2ccccc2 TS44025 [0,1,0,0,0,1|0,0,0]=2 323 B17R2.3426 c1ccc(c(c1)N)NC(=O)c2cccnc2 TS21508 [0,1,0,0,0,1|1,0,0]=3 324 B17R2.3426 c1ccc(c(c1)N)NC(=O)c2ccncc2 TS21506 [0,1,0,0,0,1|1,0,0]=3 325 B17R2.5273 Cc1cccc(c1)C(=O)Cc2ccncc2 TS44026 [0,1,0,0,0,1|1,0,0]=3 326 B17R2.5273 Cc1cccc(c1)C(=O)Nc2ccccc2 TS44027 [0,1,0,0,0,1|0,0,0]=2 327 B17R2.5273 c1ccc(cc1)CC(=O)c2cccc(c2)F TS44508 [0,1,0,0,0,1|0,0,0]=2 328 B17R2.5273 c1ccc(cc1)OC(=O)c2cccc(c2)O TS21646 [0,1,0,0,0,1|0,0,0]=2 329 B17R2.5293 c1ccc(cc1)C(=O)Cc2cccc(c2)F TS21664 [0,1,0,0,0,1|0,0,0]=2 330 B17R2.5293 c1ccc(cc1)C(=O)Nc2cc[nH]c(=O)n2 TS01592 [0,1,0,0,0,1|2,0,0]=4 331 B17R2.5293 c1ccc(cc1)C(=O)Oc2cccc(c2)O TS21651 [0,1,0,0,0,1|0,0,0]=2 332 B17R2.10205 C=C(c1ccccc1)C(=C)c2ccccc2 TS20251 [0,1,0,0,0,1|1,0,0]=3 333 B17R2.10205 c1ccc(cc1)C(=C(c2ccccc2)F)F TS49081 [0,1,0,0,0,1|1,0,0]=3 334 B17R2.10205 c1ccc(cc1)C(=O)C(=O)c2ccccc2 TS43805 [0,1,0,0,0,1|0,0,0]=2 335 B17R2.10205 c1ccc(cc1)C(=O)N(c2ccccc2)O TS21493 [0,1,0,0,0,1|0,0,0]=2 336 B17R2.10205 c1ccc(cc1)C(=S)C(=S)c2ccccc2 TS83702 [0,1,0,0,0,1|0,1,0]=3 337 B17R2.10205 c1ccc(cc1)C(C(=O)c2ccccc2)Br TS55082 [0,1,0,0,0,1|0,0,0]=2 338 B17R2.10205 c1ccc(cc1)C(C(=O)c2ccccc2)Cl TS24987 [0,1,0,0,0,1|0,0,0]=2 339 B17R2.10205 c1ccc(cc1)C(C(=O)c2ccccc2)O TS44178 [0,1,0,0,0,1|0,0,0]=2 340 B17R2.10205 c1ccc(cc1)C(C(=O)c2ccccc2)O TS67579 [0,1,0,0,0,1|0,0,0]=2 341 B17R2.10205 c1ccc(cc1)C(C(c2ccccc2)Br)Br TS64208 [0,1,0,0,0,1|1,0,1]=4 342 B17R2.10205 c1ccc(cc1)C(C(c2ccccc2)N)N TS21366 [0,1,0,0,0,1|1,0,1]=4 343 B17R2.10205 c1ccc(cc1)[C@@H](C(=O)c2ccccc2)O TS21321 [0,1,0,0,0,1|0,0,0]=2 344 B17R2.10205 c1ccc(cc1)[C@@H]([C@@H](c2ccccc2)O)N TS07984 [0,1,0,0,0,1|0,0,2]=4 345 B17R2.10205 c1ccc(cc1)[C@@H]([C@H](c2ccccc2)N)N TS08639 [0,1,0,0,0,1|1,0,1]=4 346 B17R2.10205 c1ccc(cc1)[C@@H]([C@H](c2ccccc2)O)O TS44519 [0,1,0,0,0,1|0,0,2]=4 347 B17R2.10205 c1ccc(cc1)[C@H](C(=O)c2ccccc2)O TS44183 [0,1,0,0,0,1|0,0,0]=2 348 B17R2.10205 c1ccc(cc1)[C@H]([C@@H](c2ccccc2)N)N TS59790 [0,1,0,0,0,1|1,0,1]=4 349 B17R2.10205 c1ccc(cc1)[C@H]([C@@H](c2ccccc2)N)N TS94531 [0,1,0,0,0,1|1,0,1]=4 350 B17R2.10205 c1ccc(cc1)[C@H]([C@@H](c2ccccc2)O)N TS44365 [0,1,0,0,0,1|0,0,2]=4 351 B17R2.10205 c1ccc(cc1)[C@H]([C@@H](c2ccccc2)O)O TS21698 [0,1,0,0,0,1|0,0,2]=4 352 B17R2.10205 c1ccc(cc1)[C@H]([C@H](c2ccccc2)O)N TS07986 [0,1,0,0,0,1|0,0,2]=4 353 B17R2.10205 c1ccc(cc1)[C@H]([C@H](c2ccccc2)O)O TS21697 [0,1,0,0,0,1|0,0,2]=4 354 B17R2.10205 c1ccnc(c1)C(=O)C(=O)c2ccccn2 TS21296 [0,1,0,0,0,1|2,0,0]=4 355 B17R2.10205 c1ccnc(c1)C(C(=O)c2ccccn2)O TS44495 [0,1,0,0,0,1|2,0,0]=4 356 B17R2.20249 c1ccc(cc1)CS(=O)(=O)c2ccccc2 TS53357 [0,1,0,0,0,1|1,0,0]=3 357 B17R2.20249 c1ccc(cc1)NS(=O)(=O)c2ccccc2 TS25419 [0,1,0,0,0,1|1,0,0]=3 358 B17R2.20249 c1ccc(cc1)OS(=O)(=O)c2ccccc2 TS25561 [0,1,0,0,0,1|1,0,0]=3 359 B17R2.68 CC(c1ccccc1)c2ccc(cc2)OC TS44217 [0,2,0,0,0,0|1,0,1]=4 360 B17R2.68 CCc1ccc(cc1)C(=O)c2ccccc2 TS20965 [0,2,0,0,0,0|0,0,0]=2 361 B17R2.68 CN(c1ccccc1)c2ccc(cc2)OC TS21520 [0,2,0,0,0,0|2,0,0]=4 362 B17R2.68 COc1ccc(cc1)C(=O)c2ccccc2 TS44180 [0,2,0,0,0,0|0,0,0]=2 363 B17R2.68 COc1ccc(cc1)C(c2ccccc2)N TS27964 [0,2,0,0,0,0|1,0,1]=4 364 B17R2.68 COc1ccc(cc1)C(c2ccccc2)O TS21705 [0,2,0,0,0,0|0,0,2]=4 365 B17R2.68 [C-]#[N+]c1ccc(cc1)C(=O)c2ccccc2 TS20368 [0,2,0,0,0,0|0,0,0]=2 366 B17R2.68 c1ccc(cc1)C(=O)c2ccc(cc2)C#N TS20370 [0,2,0,0,0,0|0,0,0]=2 367 B17R2.68 c1ccc(cc1)C(=O)c2ccc(cc2)CBr TS33684 [0,2,0,0,0,0|0,0,0]=2 368 B17R2.68 c1ccc(cc1)C(=O)c2ccc(cc2)CN TS27669 [0,2,0,0,0,0|0,0,0]=2 369 B17R2.68 c1ccc(cc1)C(=O)c2ccc(cc2)CN TS32835 [0,2,0,0,0,0|0,0,0]=2 370 B17R2.191 Cc1ccc(cc1)C(=O)c2cccc(c2)Br TS33681 [0,2,0,0,0,0|0,0,0]=2 371 B17R2.191 Cc1ccc(cc1)C(=O)c2cccc(c2)C TS43836 [0,2,0,0,0,0|0,0,0]=2 372 B17R2.191 Cc1ccc(cc1)C(c2cccc(c2)C)O TS44215 [0,2,0,0,0,0|0,0,2]=4 373 B17R2.191 Cc1ccc(cc1)C(c2cccc(c2)F)O TS49115 [0,2,0,0,0,0|0,0,2]=4 374 B17R2.191 Cc1cccc(c1)C(=O)c2ccc(cc2)Br TS33676 [0,2,0,0,0,0|0,0,0]=2 375 B17R2.191 c1cc(cc(c1)Br)C(=O)c2ccc(cc2)Cl TS58587 [0,2,0,0,0,0|0,0,0]=2 376 B17R2.191 c1cc(cc(c1)Cl)C(=O)c2ccc(cc2)Br TS58585 [0,2,0,0,0,0|0,0,0]=2 377 B17R2.191 c1cc(cc(c1)F)C(=O)c2ccc(cc2)F TS22367 [0,2,0,0,0,0|0,0,0]=2 378 B17R2.203 CC(C)(c1ccccc1)c2ccc(cc2)O TS44220 [0,2,0,0,0,0|1,0,1]=4 379 B17R2.203 Cc1ccc(cc1)S(=O)(=O)c2ccccc2 TS53360 [0,2,0,0,0,0|1,0,0]=3 380 B17R2.203 c1ccc(cc1)S(=O)(=O)c2ccc(cc2)Cl TS63197 [0,2,0,0,0,0|1,0,0]=3 381 B17R2.217 CC(c1ccc(cc1)O)c2ccc(cc2)O TS21322 [0,2,0,0,0,0|1,0,1]=4 382 B17R2.217 Cc1ccc(cc1)C(=C)c2ccc(cc2)C TS43517 [0,2,0,0,0,0|1,0,0]=3 383 B17R2.217 Cc1ccc(cc1)C(=O)c2ccc(cc2)Br TS33678 [0,2,0,0,0,0|0,0,0]=2 384 B17R2.217 Cc1ccc(cc1)C(=O)c2ccc(cc2)C TS20966 [0,2,0,0,0,0|0,0,0]=2 385 B17R2.217 Cc1ccc(cc1)C(=O)c2ccc(cc2)Cl TS24983 [0,2,0,0,0,0|0,0,0]=2 386 B17R2.217 Cc1ccc(cc1)C(C)c2ccc(cc2)C TS20984 [0,2,0,0,0,0|1,0,1]=4 387 B17R2.217 Cc1ccc(cc1)C(c2ccc(cc2)C)O TS44213 [0,2,0,0,0,0|0,0,2]=4 388 B17R2.217 Cc1ccc(cc1)C(c2ccc(cc2)F)O TS49114 [0,2,0,0,0,0|0,0,2]=4 389 B17R2.217 Cc1ccc(cc1)P(=O)c2ccc(cc2)C TS94315 [0,2,0,0,0,0|1,0,0]=3 390 B17R2.217 Cc1ccc(cc1)P(c2ccc(cc2)C)Cl TS62646 [0,2,0,0,0,0|2,0,0]=4 391 B17R2.217 Cc1ccc(cc1)P(c2ccc(cc2)C)Cl TS92983 [0,2,0,0,0,0|2,0,0]=4 392 B17R2.217 Cc1ccc(cc1)S(=O)c2ccc(cc2)C TS24951 [0,2,0,0,0,0|1,0,0]=3 393 B17R2.217 c1cc(ccc1C(=O)c2ccc(cc2)Br)Br TS59704 [0,2,0,0,0,0|0,0,0]=2 394 B17R2.217 c1cc(ccc1C(=O)c2ccc(cc2)Br)Cl TS70981 [0,2,0,0,0,0|0,0,0]=2 395 B17R2.217 c1cc(ccc1C(=O)c2ccc(cc2)Br)F TS54213 [0,2,0,0,0,0|0,0,0]=2 396 B17R2.217 c1cc(ccc1C(=O)c2ccc(cc2)Cl)Cl TS62957 [0,2,0,0,0,0|0,0,0]=2 397 B17R2.217 c1cc(ccc1C(=O)c2ccc(cc2)Cl)N TS53240 [0,2,0,0,0,0|0,0,0]=2 398 B17R2.217 c1cc(ccc1C(=O)c2ccc(cc2)Cl)O TS25306 [0,2,0,0,0,0|0,0,0]=2 399 B17R2.217 c1cc(ccc1C(=O)c2ccc(cc2)F)F TS55779 [0,2,0,0,0,0|0,0,0]=2 400 B17R2.217 c1cc(ccc1C(=O)c2ccc(cc2)F)O TS49064 [0,2,0,0,0,0|0,0,0]=2 401 B17R2.217 c1cc(ccc1C(=O)c2ccc(cc2)N)N TS09553 [0,2,0,0,0,0|0,0,0]=2 402 B17R2.217 c1cc(ccc1C(=O)c2ccc(cc2)O)O TS09556 [0,2,0,0,0,0|0,0,0]=2 403 B17R2.217 c1cc(ccc1C(c2ccc(cc2)Br)N)O TS34001 [0,2,0,0,0,0|1,0,1]=4 404 B17R2.217 c1cc(ccc1C(c2ccc(cc2)Br)O)Br TS78570 [0,2,0,0,0,0|0,0,2]=4 405 B17R2.217 c1cc(ccc1C(c2ccc(cc2)Cl)Cl)Cl TS33298 [0,2,0,0,0,0|1,0,1]=4 406 B17R2.217 c1cc(ccc1C(c2ccc(cc2)Cl)O)Cl TS28432 [0,2,0,0,0,0|0,0,2]=4 407 B17R2.217 c1cc(ccc1C(c2ccc(cc2)F)Br)F TS34505 [0,2,0,0,0,0|1,0,1]=4 408 B17R2.217 c1cc(ccc1C(c2ccc(cc2)F)Cl)F TS57166 [0,2,0,0,0,0|1,0,1]=4 409 B17R2.217 c1cc(ccc1C(c2ccc(cc2)F)O)F TS55778 [0,2,0,0,0,0|0,0,2]=4 410 B17R2.217 c1cc(ccc1F)P(c2ccc(cc2)F)Cl TS28982 [0,2,0,0,0,0|2,0,0]=4 411 B17R2.217 c1cc(ccc1S(=O)c2ccc(cc2)Cl)Cl TS30929 [0,2,0,0,0,0|1,0,0]=3 412 B17R2.219 Cc1ccc(cc1C)C(=O)c2ccccc2 TS20967 [0,2,0,0,0,0|0,0,0]=2 413 B17R2.219 Cc1ccc(cc1C)C(C)c2ccccc2 TS20986 [0,2,0,0,0,0|1,0,1]=4 414 B17R2.219 c1ccc(cc1)C(=O)c2ccc(c(c2)Cl)Cl TS62959 [0,2,0,0,0,0|0,0,0]=2 415 B17R2.219 c1ccc(cc1)C(=O)c2ccc(c(c2)N)N TS44198 [0,2,0,0,0,0|0,0,0]=2 416 B17R2.219 c1ccc(cc1)C(=O)c2ccc(c(c2)N)N TS62653 [0,2,0,0,0,0|0,0,0]=2 417 B17R2.219 c1ccc(cc1)C(=O)c2ccc(c(c2)O)O TS21645 [0,2,0,0,0,0|0,0,0]=2 418 B17R2.219 c1ccc(cc1)C(c2ccc(c(c2)Cl)Cl)N TS35172 [0,2,0,0,0,0|1,0,1]=4 419 B17R2.291 Cc1ccc(cc1)C(CN)c2ccccc2 TS27676 [0,2,0,0,0,0|1,0,1]=4 420 B17R2.291 c1ccc(cc1)C(CBr)c2ccc(cc2)Cl TS58589 [0,2,0,0,0,0|1,0,1]=4 421 B17R2.291 c1ccc(cc1)C(CN)c2ccc(cc2)Cl TS30504 [0,2,0,0,0,0|1,0,1]=4 422 B17R2.381 Cc1ccc(cc1)C(=O)c2ccccc2I TS77339 [0,2,0,0,0,0|0,0,0]=2 423 B17R2.381 Cc1ccc(cc1)C(=O)c2ccccc2N TS44012 [0,2,0,0,0,0|0,0,0]=2 424 B17R2.381 c1ccc(c(c1)C(=O)c2ccc(cc2)Br)Br TS64204 [0,2,0,0,0,0|0,0,0]=2 425 B17R2.381 c1ccc(c(c1)C(=O)c2ccc(cc2)Br)N TS59685 [0,2,0,0,0,0|0,0,0]=2 426 B17R2.381 c1ccc(c(c1)C(=O)c2ccc(cc2)Cl)Br TS58586 [0,2,0,0,0,0|0,0,0]=2 427 B17R2.381 c1ccc(c(c1)C(=O)c2ccc(cc2)Cl)Cl TS62955 [0,2,0,0,0,0|0,0,0]=2 428 B17R2.381 c1ccc(c(c1)C(=O)c2ccc(cc2)Cl)N TS53241 [0,2,0,0,0,0|0,0,0]=2 429 B17R2.381 c1ccc(c(c1)C(=O)c2ccc(cc2)F)Cl TS56574 [0,2,0,0,0,0|0,0,0]=2 430 B17R2.381 c1ccc(c(c1)C(=O)c2ccc(cc2)F)F TS22360 [0,2,0,0,0,0|0,0,0]=2 431 B17R2.381 c1ccc(c(c1)C(=O)c2ccc(cc2)F)N TS21863 [0,2,0,0,0,0|0,0,0]=2 432 B17R2.381 c1ccc(c(c1)C(=O)c2ccc(cc2)O)F TS22013 [0,2,0,0,0,0|0,0,0]=2 433 B17R2.381 c1ccc(c(c1)C(=O)c2ccc(cc2)O)O TS21662 [0,2,0,0,0,0|0,0,0]=2 434 B17R2.5362 Cc1ccc(c(c1)C)C(=O)c2ccccc2 TS43835 [0,2,0,0,0,0|0,0,0]=2 435 B17R2.5362 Cc1ccc(c(c1)N)C(=O)c2ccccc2 TS21148 [0,2,0,0,0,0|0,0,0]=2 436 B17R2.5362 Cc1ccc(c(c1)O)C(=O)c2ccccc2 TS44187 [0,2,0,0,0,0|0,0,0]=2 437 B17R2.5362 c1ccc(cc1)C(=O)c2ccc(cc2Cl)Cl TS62950 [0,2,0,0,0,0|0,0,0]=2 438 B17R2.5362 c1ccc(cc1)C(=O)c2ccc(cc2F)F TS22365 [0,2,0,0,0,0|0,0,0]=2 439 B17R2.5362 c1ccc(cc1)C(=O)c2ccc(cc2N)Br TS31089 [0,2,0,0,0,0|0,0,0]=2 440 B17R2.5362 c1ccc(cc1)C(=O)c2ccc(cc2O)O TS21647 [0,2,0,0,0,0|0,0,0]=2 441 B17R2.159 C=CCP(c1ccccc1)c2ccccc2 TS24181 [0,2,0,0,0,0|2,0,0]=4 442 B17R2.159 CCCC(c1ccccc1)c2ccccc2 TS20987 [0,2,0,0,0,0|1,0,1]=4 443 B17R2.159 CCCP(c1ccccc1)c2ccccc2 TS52671 [0,2,0,0,0,0|2,0,0]=4 444 B17R2.159 CCOP(c1ccccc1)c2ccccc2 TS52991 [0,2,0,0,0,0|1,0,1]=4 445 B17R2.159 c1ccc(cc1)C(=CC#N)c2ccccc2 TS38854 [0,2,0,0,0,0|1,0,0]=3 446 B17R2.159 c1ccc(cc1)C(=CC=O)c2ccccc2 TS20590 [0,2,0,0,0,0|0,0,0]=2 447 B17R2.159 c1ccc(cc1)C(=C[SiH2]Cl)c2ccccc2 TS27248 [0,2,0,0,0,0|1,0,0]=3 448 B17R2.159 c1ccc(cc1)C(CCBr)c2ccccc2 TS31006 [0,2,0,0,0,0|1,0,1]=4 449 B17R2.159 c1ccc(cc1)C(CCN)c2ccccc2 TS21175 [0,2,0,0,0,0|1,0,1]=4 450 B17R2.159 c1ccc(cc1)C(CCO)c2ccccc2 TS65733 [0,2,0,0,0,0|0,0,2]=4 451 B17R2.159 c1ccc(cc1)C(C[PH2]=O)c2ccccc2 TS52992 [0,2,0,0,0,0|0,0,1]=3 452 B17R2.159 c1ccc(cc1)C(c2ccccc2)N=C=S TS52200 [0,2,0,0,0,0|0,1,1]=4 453 B17R2.159 c1ccc(cc1)N(CCO)c2ccccc2 TS21528 [0,2,0,0,0,0|1,0,1]=4 454 B17R2.159 c1ccc(cc1)P(CCN)c2ccccc2 TS24727 [0,2,0,0,0,0|2,0,0]=4 455 B17R2.159 c1ccc(cc1)P(CCS)c2ccccc2 TS27482 [0,2,0,0,0,0|1,1,0]=4 456 B17R2.288 c1ccc(cc1)C(CBr)c2cccc(c2)Cl TS58590 [0,2,0,0,0,0|1,0,1]=4 457 B17R2.2274 c1ccc(cc1)C(=NO)c2ccccc2N TS21341 [0,2,0,0,0,0|0,0,1]=3 458 B17R2.2274 c1ccc(cc1)C(CBr)c2ccccc2Cl TS58588 [0,2,0,0,0,0|1,0,1]=4 459 B17R2.2712 C#CC(c1ccccc1)(c2ccccc2)O TS43505 [0,2,0,0,0,0|0,0,2]=4 460 B17R2.2712 CC(CN)(c1ccccc1)c2ccccc2 TS27678 [0,2,0,0,0,0|1,0,1]=4 461 B17R2.2712 C[Si](C#C)(c1ccccc1)c2ccccc2 TS50201 [0,2,0,0,0,0|1,1,0]=4 462 B17R2.2712 c1ccc(cc1)P(=O)(c2ccccc2)ON TS30132 [0,2,0,0,0,0|1,0,0]=3 463 B17R2.5711 B(C(c1ccccc1)c2ccccc2)(O)O TS78056 [0,2,0,0,0,0|0,0,2]=4 464 B17R2.5711 CC(=O)C(c1ccccc1)c2ccccc2 TS20960 [0,2,0,0,0,0|0,0,1]=3 465 B17R2.5711 CC(=O)N(c1ccccc1)c2ccccc2 TS44013 [0,2,0,0,0,0|1,0,0]=3 466 B17R2.5711 CC(C(c1ccccc1)c2ccccc2)O TS44219 [0,2,0,0,0,0|0,0,2]=4 467 B17R2.5711 CC(C)P(c1ccccc1)c2ccccc2 TS52670 [0,2,0,0,0,0|2,0,0]=4 468 B17R2.5711 C[C@@H](C(c1ccccc1)c2ccccc2)N TS44036 [0,2,0,0,0,0|1,0,1]=4 469 B17R2.5711 C[C@H](C(c1ccccc1)c2ccccc2)N TS44037 [0,2,0,0,0,0|1,0,1]=4 470 B17R2.5711 c1ccc(cc1)C(c2ccccc2)C(=O)Cl TS24985 [0,2,0,0,0,0|0,0,1]=3 471 B17R2.5711 c1ccc(cc1)C(c2ccccc2)C(=O)N TS21146 [0,2,0,0,0,0|0,0,1]=3 472 B17R2.5711 c1ccc(cc1)C(c2ccccc2)C(=O)O TS21316 [0,2,0,0,0,0|0,0,1]=3 473 B17R2.5711 c1ccc(cc1)C(c2ccccc2)C(=S)N TS52542 [0,2,0,0,0,0|0,1,1]=4 474 B17R2.5711 c1ccc(cc1)C(c2ccccn2)C(=O)N TS21334 [0,2,0,0,0,0|1,0,1]=4 475 B17R2.5711 c1ccc(cc1)N(c2ccccc2)C(=O)Cl TS53238 [0,2,0,0,0,0|1,0,0]=3 476 B17R2.5711 c1ccc(cc1)N(c2ccccc2)C(=O)N TS21338 [0,2,0,0,0,0|1,0,0]=3 477 B17R2.5711 c1ccc(cc1)N(c2ccccc2)C(=S)N TS24573 [0,2,0,0,0,0|1,1,0]=4 478 B17R2.1797 c1ccc(cc1)C(=O)c2cccc(c2)CBr TS33680 [0,2,0,0,0,0|0,0,0]=2 479 B17R2.3218 Cc1cc(cc(c1)C(c2ccccc2)O)C TS44216 [0,2,0,0,0,0|0,0,2]=4 480 B17R2.3218 c1ccc(cc1)C(=O)c2cc(cc(c2)F)F TS49387 [0,2,0,0,0,0|0,0,0]=2 481 B17R2.3218 c1ccc(cc1)C(c2cc(cc(c2)F)F)O TS49749 [0,2,0,0,0,0|0,0,2]=4 482 B17R2.5272 Cc1cccc(c1)C(=O)c2cccc(c2)Br TS33679 [0,2,0,0,0,0|0,0,0]=2 483 B17R2.5272 Cc1cccc(c1)C(c2cccc(c2)C)O TS44222 [0,2,0,0,0,0|0,0,2]=4 484 B17R2.5272 Cc1cccc(c1)C(c2cccc(c2)F)O TS49113 [0,2,0,0,0,0|0,0,2]=4 485 B17R2.5272 c1cc(cc(c1)Cl)C(=O)c2cccc(c2)Br TS58584 [0,2,0,0,0,0|0,0,0]=2 486 B17R2.5272 c1cc(cc(c1)F)C(=O)c2cccc(c2)F TS22368 [0,2,0,0,0,0|0,0,0]=2 487 B17R2.5272 c1cc(cc(c1)I)C(=O)c2cccc(c2)I TS82027 [0,2,0,0,0,0|0,0,0]=2 488 B17R2.5272 c1cc(cc(c1)N)C(=O)c2cccc(c2)N TS44197 [0,2,0,0,0,0|0,0,0]=2 489 B17R2.5305 c1ccc(cc1)C(=O)c2cccc(c2F)F TS49384 [0,2,0,0,0,0|0,0,0]=2 490 B17R2.5305 c1ccc(cc1)C(=O)c2cccc(c2N)Br TS33768 [0,2,0,0,0,0|0,0,0]=2 491 B17R2.5356 Cc1ccc(c(c1)C(=O)c2ccccc2)C TS43837 [0,2,0,0,0,0|0,0,0]=2 492 B17R2.5356 Cc1ccc(c(c1)C(=O)c2ccccc2)O TS44185 [0,2,0,0,0,0|0,0,0]=2 493 B17R2.5356 c1ccc(cc1)C(=O)c2cc(ccc2Cl)Cl TS62951 [0,2,0,0,0,0|0,0,0]=2 494 B17R2.5356 c1ccc(cc1)C(=O)c2cc(ccc2F)F TS22366 [0,2,0,0,0,0|0,0,0]=2 495 B17R2.5356 c1ccc(cc1)C(=O)c2cc(ccc2N)Br TS55055 [0,2,0,0,0,0|0,0,0]=2 496 B17R2.5356 c1ccc(cc1)C(=O)c2cc(ccc2N)Cl TS53237 [0,2,0,0,0,0|0,0,0]=2 497 B17R2.5356 c1ccc(cc1)C(=O)c2cc(ccc2O)Br TS33885 [0,2,0,0,0,0|0,0,0]=2 498 B17R2.5356 c1ccc(cc1)C(=O)c2cc(ccc2O)Cl TS25300 [0,2,0,0,0,0|0,0,0]=2 499 B17R2.5356 c1ccnc(c1)C(=O)c2cc(ccc2N)Br TS47039 [0,2,0,0,0,0|1,0,0]=3 500 B17R2.41752 c1ccc(c(c1)C(=O)c2cccc(c2)F)F TS22361 [0,2,0,0,0,0|0,0,0]=2 501 B17R2.3434 c1ccc(cc1)S(=O)(=O)c2ccccc2N TS25415 [0,2,0,0,0,0|1,0,0]=3 502 B17R2.20253 c1ccc(cc1)P(c2ccccc2)(F)(F)F TS26814 [0,2,0,0,0,0|2,0,0]=4 503 B17R2.1066 COc1ccccc1C(=O)c2ccccc2 TS21328 [0,2,0,0,0,0|0,0,0]=2 504 B17R2.5268 c1ccc(cc1)C(=O)c2c(cccc2F)F TS49386 [0,2,0,0,0,0|0,0,0]=2 505 B17R2.5268 c1ccc(cc1)C(=O)c2c(ccnc2Cl)Cl TS63074 [0,2,0,0,0,0|1,0,0]=3 506 B17R2.20511 Cc1ccccc1C(=C)c2ccccc2C TS43523 [0,2,0,0,0,0|1,0,0]=3 507 B17R2.20511 Cc1ccccc1P(c2ccccc2C)Cl TS62645 [0,2,0,0,0,0|2,0,0]=4 508 B17R2.20511 c1ccc(c(c1)C(=O)c2ccccc2Cl)Cl TS62958 [0,2,0,0,0,0|0,0,0]=2 509 B17R2.20511 c1ccc(c(c1)C(=O)c2ccccc2F)N TS47351 [0,2,0,0,0,0|0,0,0]=2 510 B17R2.20511 c1ccc(c(c1)C(=O)c2ccccc2O)O TS21654 [0,2,0,0,0,0|0,0,0]=2 511 B15R2.17 c1ccc(cc1)c2cccc(c2)C=O TS22824 [0,0,1,1,0,0|2,0,0]=4 512 B15R2.21 c1ccc(cc1)c2ccccc2C=O TS02178 [0,0,1,1,0,0|2,0,0]=4 513 B15R3.3 c1ccc-2c(c1)Cc3c2cccc3 TS43118 [1,0,0,1,0,0|0,0,1]=3 514 B15R3.3 c1ccc2c(c1)-c3ccccc3[I+]2 TS75228 [1,0,0,1,0,0|1,0,0]=3 515 B15R3.3 c1ccc2c(c1)c3ccccc3[nH]2 TS33208 [1,0,0,1,0,0|1,0,0]=3 516 B15R3.3 c1ccc2c(c1)c3ccccc3[nH]2 TS38868 [1,0,0,1,0,0|1,0,0]=3 517 B15R3.3 c1ccc2c(c1)c3ccccc3o2 TS01429 [1,0,0,1,0,0|1,0,0]=3 518 B15R3.3 c1ccc2c(c1)c3ccccc3s2 TS48596 [1,0,0,1,0,0|1,0,0]=3 519 B15R3.3 c1ccc2c(c1)c3cccnc3[nH]2 TS12543 [1,0,0,1,0,0|2,0,0]=4 520 B15R3.3 c1ccc2c(c1)c3ccncc3[nH]2 TS01335 [1,0,0,1,0,0|2,0,0]=4 521 B15R3.3 c1ccc2c(c1)c3ccncc3[nH]2 TS19884 [1,0,0,1,0,0|2,0,0]=4 522 B15R3.173 c1ccc-2c(c1)C(=O)c3n2ccn3 TS02070 [0,0,0,1,1,0|2,0,0]=4 523 B17R3.1927 c1ccc(cc1)C2CC2c3ccccc3 TS17924 [0,0,0,1,0,1|1,0,1]=4 524 B17R3.1927 c1ccc(cc1)[C@@H]2[C@@H](O2)c3ccccc3 TS53695 [0,0,0,1,0,1|0,0,2]=4 525 B17R3.8708 B1(Oc2ccccc2O1)c3ccccc3 TS18161 [0,0,0,1,0,1|1,0,1]=4 526 B17R3.8708 c1ccc(cc1)C2=Cc3ccccc3C2 TS51530 [0,0,0,1,0,1|1,0,0]=3 527 B17R3.8708 c1ccc(cc1)N2Cc3ccccc3C2 TS18102 [0,0,0,1,0,1|2,0,0]=4 528 B17R3.8708 c1ccc(cc1)N2Cc3ccccc3C2 TS43658 [0,0,0,1,0,1|2,0,0]=4 529 B17R3.8708 c1ccc(cc1)c2[nH]c3ccccc3n2 TS07970 [0,0,0,1,0,1|1,0,0]=3 530 B17R3.8708 c1ccc(cc1)c2cc3ccccc3[nH]2 TS65637 [0,0,0,1,0,1|1,0,0]=3 531 B17R3.8708 c1ccc(cc1)c2cc3ccccn3c2 TS17705 [0,0,0,1,0,1|2,0,0]=4 532 B17R3.8708 c1ccc(cc1)c2cc3ccncc3[nH]2 TS17904 [0,0,0,1,0,1|2,0,0]=4 533 B17R3.8708 c1ccc(cc1)c2cn3ccccc3n2 TS51867 [0,0,0,1,0,1|2,0,0]=4 534 B17R3.8708 c1ccc(cc1)c2nc3ccccc3o2 TS18081 [0,0,0,1,0,1|0,0,1]=3 535 B17R3.8708 c1ccc(cc1)c2nc3ccccc3s2 TS21160 [0,0,0,1,0,1|0,1,0]=3 536 B17R3.8708 c1ccc(cc1)n2nc3ccccc3n2 TS18087 [0,0,0,1,0,1|2,0,0]=4 537 B17R3.8708 c1ccc2c(c1)[nH]c(n2)c3ccccn3 TS18090 [0,0,0,1,0,1|2,0,0]=4 538 B17R3.8708 c1ccc2c(c1)[nH]c(n2)c3cccnc3 TS18088 [0,0,0,1,0,1|2,0,0]=4 539 B17R3.8708 c1ccc2c(c1)[nH]c(n2)c3ccncc3 TS18092 [0,0,0,1,0,1|2,0,0]=4 540 B17R3.8708 c1ccc2c(c1)cc([nH]2)c3ccccn3 TS08932 [0,0,0,1,0,1|2,0,0]=4 541 B17R3.8708 c1ccc2c(c1)cc([nH]2)c3cccnc3 TS17892 [0,0,0,1,0,1|2,0,0]=4 542 B17R3.8708 c1ccc2c(c1)nc(s2)c3ccncc3 TS44206 [0,0,0,1,0,1|1,1,0]=4 543 B17R3.54615 Cc1cc2ccccc2c3c1cccc3 TS51519 [0,0,0,1,0,1|1,0,0]=3 544 B17R3.54615 c1ccc2c(c1)-c3ccccc3P(=O)O2 TS01326 [0,0,0,1,0,1|1,0,0]=3 545 B17R3.54615 c1ccc2c(c1)-c3ccccc3S(=O)O2 TS49119 [0,0,0,1,0,1|1,0,0]=3 546 B17R3.54615 c1ccc2c(c1)c3ccccc3[nH]c2=O TS08764 [0,0,0,1,0,1|0,0,0]=2 547 B17R3.54615 c1ccc2c(c1)c3ccccc3n(=O)n2 TS53660 [0,0,0,1,0,1|1,0,0]=3 548 B17R3.54615 c1ccc2c(c1)cc(c3c2cccc3)Br TS29039 [0,0,0,1,0,1|1,0,0]=3 549 B17R3.54615 c1ccc2c(c1)cc(c3c2cccc3)Cl TS21415 [0,0,0,1,0,1|1,0,0]=3 550 B17R3.54615 c1ccc2c(c1)cc(c3c2cccc3)I TS59249 [0,0,0,1,0,1|1,0,0]=3 551 B17R3.54615 c1ccc2c(c1)cc(c3c2cccc3)N TS17708 [0,0,0,1,0,1|1,0,0]=3 552 B17R3.54615 c1ccc2c(c1)cc(c3c2cccc3)O TS17868 [0,0,0,1,0,1|0,0,1]=3 553 B17R3.31713 Cn1c2ccccc2c3c1ccc(c3)Br TS68342 [0,1,0,1,0,0|2,0,0]=4 554 B17R3.31713 c1ccc2c(c1)-c3cc(ccc3C2=O)Br TS93514 [0,1,0,1,0,0|0,0,0]=2 555 B17R3.8 c1ccc(cc1)c2coc3c2cccc3 TS51845 [0,1,0,1,0,0|0,0,1]=3 556 B17R3.8 c1ccc(cc1)n2c3ccccc3cn2 TS17899 [0,1,0,1,0,0|2,0,0]=4 557 B17R3.8 c1ccc(cc1)n2ccc3c2cccc3 TS00510 [0,1,0,1,0,0|2,0,0]=4 558 B17R3.8 c1ccc(cc1)n2cnc3c2cccc3 TS17903 [0,1,0,1,0,0|2,0,0]=4 559 B17R3.8714 c1ccc(cc1)C2(CO2)c3ccccc3 TS53694 [0,1,0,1,0,0|0,0,2]=4 560 B17R3.182920 C=Cn1c2ccccc2c3c1cccc3 TS51682 [0,1,0,1,0,0|2,0,0]=4 561 B17R3.182920 C=Cn1c2ccccc2c3c1cccc3 TS93334 [0,1,0,1,0,0|2,0,0]=4 562 B17R3.182920 CCn1c2ccccc2c3c1cccc3 TS18109 [0,1,0,1,0,0|2,0,0]=4 563 B17R3.182920 CNC1c2ccccc2-c3c1cccc3 TS25135 [0,1,0,1,0,0|1,0,1]=4 564 B17R3.182920 c1ccc2c(c1)-c3ccccc3C2=NN TS51866 [0,1,0,1,0,0|1,0,0]=3 565 B17R3.182920 c1ccc2c(c1)-c3ccccc3C2=NO TS18079 [0,1,0,1,0,0|0,0,1]=3 566 B17R3.182920 c1ccc2c(c1)-c3ccccc3C2=[N+]=[N-] TS51479 [0,1,0,1,0,0|1,0,0]=3 567 B17R3.182920 c1ccc2c(c1)-c3ccccc3C2CO TS60128 [0,1,0,1,0,0|0,0,2]=4 568 B17R3.182920 c1ccc2c(c1)c3ccccc3n2CO TS53857 [0,1,0,1,0,0|1,0,1]=4 569 B17R3.182920 c1ccc2c(c1)c3ccccc3n2N=O TS53654 [0,1,0,1,0,0|1,0,0]=3 570 B17R3.4408 c1ccc2c(c1)-c3c(cccc3Br)C2=O TS93791 [0,1,0,1,0,0|0,0,0]=2 571 B17R3.31819 c1ccc2c(c1)-c3ccc(cc3C2=O)Br TS68240 [0,1,0,1,0,0|0,0,0]=2 572 B17R3.31819 c1ccc2c(c1)-c3ccc(cc3C2=O)N TS18076 [0,1,0,1,0,0|0,0,0]=2 573 B17R3.31819 c1ccc2c(c1)-c3ccc(cc3C2=O)O TS18240 [0,1,0,1,0,0|0,0,0]=2 574 B17R3.31819 c1ccc2c(c1)-c3ccc(cc3C2O)N TS53867 [0,1,0,1,0,0|0,0,2]=4 575 B17R3.221899 CC1(c2ccccc2-c3c1cccc3)C TS17923 [0,1,0,1,0,0|1,0,1]=4 576 B17R3.221899 c1ccc2c(c1)-c3ccccc3C2(Cl)Cl TS25696 [0,1,0,1,0,0|1,0,1]=4 577 B17R3.221899 c1ccc2c(c1)-c3ccccc3S2(=O)=O TS49118 [0,1,0,1,0,0|1,0,0]=3 578 B17R3.35227 CN1c2ccccc2Sc3c1cccc3 TS44383 [0,1,0,1,0,0|2,0,0]=4 579 B17R3.35227 C[n+]1c2ccccc2nc3c1cccc3 TS60577 [0,1,0,1,0,0|2,0,0]=4 580 B17R3.35227 Cc1c2ccccc2nc3c1cccc3 TS51681 [0,1,0,1,0,0|1,0,0]=3 581 B17R3.35227 c1ccc2c(c1)C(c3ccccc3O2)O TS54017 [0,1,0,1,0,0|0,0,2]=4 582 B17R3.35227 c1ccc2c(c1)Cc3ccccc3C2=O TS17867 [0,1,0,1,0,0|0,0,0]=2 583 B17R3.35227 c1ccc2c(c1)c(=O)c3c(o2)cccn3 TS53841 [0,1,0,1,0,0|1,0,0]=3 584 B17R3.35227 c1ccc2c(c1)c(=O)c3ccccc3[nH]2 TS52034 [0,1,0,1,0,0|0,0,0]=2 585 B17R3.35227 c1ccc2c(c1)c(=O)c3ccccc3[te]2 TS76221 [0,1,0,1,0,0|0,0,0]=2 586 B17R3.35227 c1ccc2c(c1)c(=O)c3ccccc3o2 TS32740 [0,1,0,1,0,0|0,0,0]=2 587 B17R3.35227 c1ccc2c(c1)c(=O)c3ccccc3s2 TS21355 [0,1,0,1,0,0|0,0,0]=2 588 B17R3.35227 c1ccc2c(c1)c(c3ccccc3n2)Cl TS64853 [0,1,0,1,0,0|1,0,0]=3 589 B17R3.35227 c1ccc2c(c1)c(c3ccccc3n2)N TS51868 [0,1,0,1,0,0|1,0,0]=3 590 B17R3.35227 c1ccc2c(c1)cc3ccccc3c2Br TS29040 [0,1,0,1,0,0|1,0,0]=3 591 B17R3.35227 c1ccc2c(c1)cc3ccccc3c2Cl TS21419 [0,1,0,1,0,0|1,0,0]=3 592 B17R3.35227 c1ccc2c(c1)cc3ccccc3c2N TS17702 [0,1,0,1,0,0|1,0,0]=3 593 B17R3.35227 c1ccc2c(c1)nc3ccccc3n2=O TS53657 [0,1,0,1,0,0|1,0,0]=3 594 B17R3.51174 c1ccc2c(c1)-c3cccc(c3C2=O)O TS18238 [0,1,0,1,0,0|0,0,0]=2 595 B13R2.3 c1cc[n+](cc1)c2ccncc2 TS24679 [1,0,0,0,1,0|2,0,0]=4 596 B13R2.3 c1cc[nH+]c(c1)c2cccc[nH+]2 TS58328 [1,0,0,0,1,0|2,0,0]=4 597 B13R2.3 c1ccc(cc1)[n+]2ccccc2 TS17383 [1,0,0,0,1,0|1,0,0]=3 598 B13R2.3 c1ccc(cc1)c2ccccc2 TS13841 [1,0,0,0,1,0|0,0,0]=2 599 B13R2.3 c1ccc(cc1)c2ccccc2 TS65182 [1,0,0,0,1,0|0,0,0]=2 600 B13R2.3 c1ccc(cc1)c2ccccn2 TS02179 [1,0,0,0,1,0|1,0,0]=3 601 B13R2.3 c1ccc(cc1)c2ccccn2 TS94256 [1,0,0,0,1,0|1,0,0]=3 602 B13R2.3 c1ccc(cc1)c2cccnc2 TS32944 [1,0,0,0,1,0|1,0,0]=3 603 B13R2.3 c1ccc(cc1)c2cccnn2 TS41619 [1,0,0,0,1,0|2,0,0]=4 604 B13R2.3 c1ccc(cc1)c2ccncc2 TS10589 [1,0,0,0,1,0|1,0,0]=3 605 B13R2.3 c1ccc(cc1)c2ccncn2 TS41621 [1,0,0,0,1,0|2,0,0]=4 606 B13R2.3 c1ccc(cc1)c2cncnc2 TS01178 [1,0,0,0,1,0|2,0,0]=4 607 B13R2.3 c1ccnc(c1)c2ccccn2 TS34616 [1,0,0,0,1,0|2,0,0]=4 608 B13R2.3 c1ccnc(c1)c2ccccn2 TS63852 [1,0,0,0,1,0|2,0,0]=4 609 B13R2.3 c1ccnc(c1)c2ccccn2 TS69899 [1,0,0,0,1,0|2,0,0]=4 610 B13R2.3 c1ccnc(c1)c2ccccn2 TS72690 [1,0,0,0,1,0|2,0,0]=4 611 B13R2.3 c1ccnc(c1)c2ccccn2 TS75486 [1,0,0,0,1,0|2,0,0]=4 612 B13R2.3 c1ccnc(c1)c2ccccn2 TS84308 [1,0,0,0,1,0|2,0,0]=4 613 B13R2.3 c1ccnc(c1)c2cccnc2 TS85222 [1,0,0,0,1,0|2,0,0]=4 614 B13R2.3 c1ccnc(c1)c2ccncc2 TS41614 [1,0,0,0,1,0|2,0,0]=4 615 B13R2.3 c1cnccc1c2ccncc2 TS24681 [1,0,0,0,1,0|2,0,0]=4 616 B13R2.64 c1ccc(cc1)Cn2cccc2 TS41805 [1,0,0,0,1,0|1,0,1]=4 617 B13R2.64 c1ccc(cc1)Oc2ccsc2 TS13884 [1,0,0,0,1,0|2,0,0]=4 618 B13R2.674 c1cc(sc1)C(=O)c2cccs2 TS17929 [0,0,0,0,2,0|2,0,0]=4 619 B15R2.2195 c1ccc(cc1)C#Cc2ccccc2 TS14253 [1,0,0,0,0,1|0,0,1]=3 620 B15R2.2195 c1ccc(cc1)C=Cc2ccccc2 TS47967 [1,0,0,0,0,1|0,0,0]=2 621 B15R2.2195 c1ccc(cc1)C=Cc2ccccc2 TS47969 [1,0,0,0,0,1|0,0,0]=2 622 B15R2.2195 c1ccc(cc1)C=Cc2ccccn2 TS14821 [1,0,0,0,0,1|1,0,0]=3 623 B15R2.2195 c1ccc(cc1)C=Cc2ccncc2 TS14826 [1,0,0,0,0,1|1,0,0]=3 624 B15R2.2195 c1ccc(cc1)C=Cc2ccnnc2 TS14989 [1,0,0,0,0,1|2,0,0]=4 625 B15R2.2195 c1ccc(cc1)C=Nc2ccccc2 TS14823 [1,0,0,0,0,1|0,0,0]=2 626 B15R2.2195 c1ccc(cc1)CCc2ccccc2 TS15019 [1,0,0,0,0,1|0,0,1]=3 627 B15R2.2195 c1ccc(cc1)CNc2ccccc2 TS01616 [1,0,0,0,0,1|0,0,1]=3 628 B15R2.2195 c1ccc(cc1)CNc2ccccn2 TS55056 [1,0,0,0,0,1|1,0,1]=4 629 B15R2.2195 c1ccc(cc1)CNc2ccccn2 TS67971 [1,0,0,0,0,1|1,0,1]=4 630 B15R2.2195 c1ccc(cc1)CNc2cccnc2 TS15297 [1,0,0,0,0,1|1,0,1]=4 631 B15R2.2195 c1ccc(cc1)CNc2ccncc2 TS60375 [1,0,0,0,0,1|1,0,1]=4 632 B15R2.2195 c1ccc(cc1)CNc2ccncc2 TS67972 [1,0,0,0,0,1|1,0,1]=4 633 B15R2.2195 c1ccc(cc1)COc2ccccc2 TS48575 [1,0,0,0,0,1|0,0,1]=3 634 B15R2.2195 c1ccc(cc1)CSc2ccccc2 TS19062 [1,0,0,0,0,1|0,0,1]=3 635 B15R2.2195 c1ccc(cc1)N=Nc2ccccc2 TS14988 [1,0,0,0,0,1|1,0,0]=3 636 B15R2.2195 c1ccc(cc1)NCc2ccccn2 TS08604 [1,0,0,0,0,1|1,0,1]=4 637 B15R2.2195 c1ccc(cc1)NCc2ccccn2 TS49886 [1,0,0,0,0,1|1,0,1]=4 638 B15R2.2195 c1ccc(cc1)NNc2ccccc2 TS46966 [1,0,0,0,0,1|1,0,0]=3 639 B15R2.2195 c1ccc(cc1)SSc2ccccc2 TS22490 [1,0,0,0,0,1|1,0,0]=3 640 B15R2.2195 c1ccnc(c1)C=Cc2ccccn2 TS48293 [1,0,0,0,0,1|2,0,0]=4 641 B15R2.2195 c1ccnc(c1)C=Cc2cccnc2 TS48295 [1,0,0,0,0,1|2,0,0]=4 642 B15R2.2195 c1ccnc(c1)C=Cc2ccncc2 TS48294 [1,0,0,0,0,1|2,0,0]=4 643 B15R2.2195 c1cnccc1C=Cc2ccncc2 TS48291 [1,0,0,0,0,1|2,0,0]=4 644 B15R2.64 c1cc(sc1)C(=O)Nc2ccncc2 TS38625 [0,0,0,0,1,1|2,0,0]=4 645 B17R2.143 CN(Cc1ccccc1)Cc2ccccc2 TS21169 [0,0,0,0,0,2|2,0,0]=4 646 B17R2.143 c1cc(cnc1)NC(=O)Nc2cccnc2 TS44505 [0,0,0,0,0,2|2,0,0]=4 647 B17R2.143 c1ccc(cc1)CC(=O)Cc2ccccc2 TS43834 [0,0,0,0,0,2|0,0,0]=2 648 B17R2.143 c1ccc(cc1)CC(=O)Nc2ccccc2 TS44023 [0,0,0,0,0,2|0,0,0]=2 649 B17R2.143 c1ccc(cc1)CC(=O)Oc2ccccc2 TS21331 [0,0,0,0,0,2|0,0,0]=2 650 B17R2.143 c1ccc(cc1)CN(Cc2ccccc2)N TS21364 [0,0,0,0,0,2|2,0,0]=4 651 B17R2.143 c1ccc(cc1)CN(Cc2ccccc2)O TS21519 [0,0,0,0,0,2|1,0,1]=4 652 B17R2.143 c1ccc(cc1)CS(=O)Cc2ccccc2 TS24948 [0,0,0,0,0,2|1,0,0]=3 653 B17R2.143 c1ccc(cc1)NC(=N)Nc2ccccc2 TS44030 [0,0,0,0,0,2|1,0,0]=3 654 B17R2.143 c1ccc(cc1)NC(=N)Nc2ccccc2 TS67086 [0,0,0,0,0,2|1,0,0]=3 655 B17R2.143 c1ccc(cc1)NC(=N)Nc2ccccc2 TS72909 [0,0,0,0,0,2|1,0,0]=3 656 B17R2.143 c1ccc(cc1)NC(=O)Nc2ccccc2 TS44195 [0,0,0,0,0,2|0,0,0]=2 657 B17R2.143 c1ccc(cc1)NC(=S)Nc2ccccc2 TS24576 [0,0,0,0,0,2|0,1,0]=3 658 B17R2.143 c1ccc(cc1)NC(=S)Nc2ccccn2 TS24753 [0,0,0,0,0,2|1,1,0]=4 659 B17R2.143 c1ccc(cc1)OC(=O)Oc2ccccc2 TS21650 [0,0,0,0,0,2|0,0,0]=2 660 B17R2.143 c1ccc(cc1)OP([O-])Oc2ccccc2 TS56442 [0,0,0,0,0,2|1,0,1]=4 661 B17R2.143 c1ccnc(c1)OC(=O)Oc2ccccn2 TS39379 [0,0,0,0,0,2|2,0,0]=4 662 B17R2.2342 C=C(CCc1ccccc1)c2ccccc2 TS43524 [0,0,0,0,0,2|1,0,0]=3 663 B17R2.2342 C[C@@H](c1ccccc1)NCc2ccccc2 TS46629 [0,0,0,0,0,2|1,0,1]=4 664 B17R2.2342 C[C@H](c1ccccc1)NCc2ccccc2 TS27677 [0,0,0,0,0,2|1,0,1]=4 665 B17R2.2342 C[C@H](c1ccccc1)NCc2ccccc2 TS33116 [0,0,0,0,0,2|1,0,1]=4 666 B17R2.2342 c1ccc(cc1)C=CC(=O)c2ccccc2 TS07884 [0,0,0,0,0,2|0,0,0]=2 667 B17R2.2342 c1ccc(cc1)C=CC(c2ccccc2)O TS20974 [0,0,0,0,0,2|0,0,2]=4 668 B17R2.2342 c1ccc(cc1)CCC(=O)c2ccccc2 TS43844 [0,0,0,0,0,2|0,0,0]=2 669 B17R2.2342 c1ccc(cc1)CNC(=O)c2ccccc2 TS44011 [0,0,0,0,0,2|0,0,0]=2 670 B17R2.2342 c1ccc(cc1)CNC(=O)c2cccnc2 TS21340 [0,0,0,0,0,2|1,0,0]=3 671 B17R2.2342 c1ccc(cc1)COC(=O)c2ccccc2 TS21330 [0,0,0,0,0,2|0,0,0]=2 672 B17R2.2342 c1ccc(cc1)COC(=O)c2cccnc2 TS44339 [0,0,0,0,0,2|1,0,0]=3 673 B17R2.2342 c1ccc(cc1)CSC(=O)c2ccccc2 TS24569 [0,0,0,0,0,2|0,0,0]=2 674 B17R2.2342 c1ccc(cc1)CSC(=S)c2ccccc2 TS27226 [0,0,0,0,0,2|0,1,0]=3