0 B17R2.3417 Cc1ccccc1C(=O)Nc2ccccc2 TS44016 [0,0,0,0,0,0|2,0,0]=2 1 B17R2.3417 c1ccc(c(c1)C(=O)Cc2ccncc2)Cl TS53232 [0,0,0,0,0,0|3,0,0]=3 2 B17R2.3417 c1ccc(cc1)CC(=O)c2ccccc2Br TS33675 [0,0,0,0,0,0|2,0,0]=2 3 B17R2.3417 c1ccc(cc1)CC(=O)c2ccccc2N TS21149 [0,0,0,0,0,0|2,0,0]=2 4 B17R2.3417 c1ccc(cc1)NC(=O)c2ccccc2Cl TS53233 [0,0,0,0,0,0|2,0,0]=2 5 B17R2.3417 c1ccc(cc1)NC(=O)c2ccccc2I TS61753 [0,0,0,0,0,0|2,0,0]=2 6 B17R2.3417 c1ccc(cc1)NC(=O)c2ccccc2N TS21333 [0,0,0,0,0,0|2,0,0]=2 7 B17R2.3417 c1ccc(cc1)NC(=O)c2ccccc2O TS44344 [0,0,0,0,0,0|1,0,0]=1 8 B17R2.3417 c1ccc(cc1)OC(=O)c2ccccc2N TS21492 [0,0,0,0,0,0|1,0,0]=1 9 B17R2.3417 c1ccc(cc1)OC(=O)c2ccccc2O TS21660 [0,0,0,0,0,0|0,0,0]=0 10 B16R2.71 Cc1ccccc1C#Cc2ccccc2 TS51528 [1,0,0,0,0,0|2,0,1]=4 11 B16R2.71 c1ccc(c(c1)C=Cc2ccccn2)O TS53852 [1,0,0,0,0,0|2,0,0]=3 12 B16R2.71 c1ccc(cc1)COc2c(cccn2)O TS19220 [1,0,0,0,0,0|3,0,0]=4 13 B16R2.71 c1ccc(cc1)COc2ccccc2O TS19007 [1,0,0,0,0,0|2,0,0]=3 14 B16R2.71 c1ccc(cc1)CSc2ccccc2N TS21901 [1,0,0,0,0,0|3,0,0]=4 15 B16R2.71 c1ccc(cc1)N=Cc2ccccc2O TS53853 [1,0,0,0,0,0|1,0,0]=2 16 B16R2.88 CN(Cc1ccccc1)c2ccccc2 TS53890 [1,0,0,0,0,0|3,0,0]=4 17 B16R2.88 c1ccc(cc1)C(=N)Nc2ccccc2 TS18289 [1,0,0,0,0,0|2,0,0]=3 18 B16R2.88 c1ccc(cc1)C(=O)C[n+]2ccccc2 TS31291 [1,0,0,0,0,0|2,0,0]=3 19 B16R2.88 c1ccc(cc1)C(=O)Cc2ccncn2 TS18628 [1,0,0,0,0,0|3,0,0]=4 20 B16R2.88 c1ccc(cc1)C(=O)Cc2ncccn2 TS59913 [1,0,0,0,0,0|3,0,0]=4 21 B16R2.88 c1ccc(cc1)C(=O)Nc2ccccc2 TS53870 [1,0,0,0,0,0|1,0,0]=2 22 B16R2.88 c1ccc(cc1)C(=O)Nc2ccncc2 TS18625 [1,0,0,0,0,0|2,0,0]=3 23 B16R2.88 c1ccc(cc1)C(=O)Oc2ccccc2 TS18613 [1,0,0,0,0,0|0,0,0]=1 24 B16R2.88 c1ccc(cc1)C(=S)Nc2ccccc2 TS44382 [1,0,0,0,0,0|1,1,0]=3 25 B16R2.88 c1ccc(cc1)C=[N+](c2ccccc2)[O-] TS53850 [1,0,0,0,0,0|2,0,1]=4 26 B16R2.88 c1ccc(cc1)CC(=O)c2ccccc2 TS18287 [1,0,0,0,0,0|1,0,0]=2 27 B16R2.88 c1ccc(cc1)CC(=O)c2ccccn2 TS53868 [1,0,0,0,0,0|2,0,0]=3 28 B16R2.88 c1ccc(cc1)CC(=O)c2cccnc2 TS85356 [1,0,0,0,0,0|2,0,0]=3 29 B16R2.88 c1ccc(cc1)CC(c2ccccc2)N TS00351 [1,0,0,0,0,0|2,0,1]=4 30 B16R2.88 c1ccc(cc1)CN(c2ccccc2)N TS54060 [1,0,0,0,0,0|3,0,0]=4 31 B16R2.88 c1ccc(cc1)CN(c2ccccc2)N TS56580 [1,0,0,0,0,0|3,0,0]=4 32 B16R2.88 c1ccc(cc1)NC(=O)c2cccnc2 TS18629 [1,0,0,0,0,0|2,0,0]=3 33 B16R2.88 c1ccc(cc1)NC(=O)c2cccnc2 TS25653 [1,0,0,0,0,0|2,0,0]=3 34 B16R2.88 c1ccc(cc1)NC(=O)c2ccncc2 TS18634 [1,0,0,0,0,0|2,0,0]=3 35 B16R2.88 c1ccc(cc1)OC(=O)c2cccnc2 TS18804 [1,0,0,0,0,0|1,0,0]=2 36 B16R2.88 c1ccc(cc1)OC(=O)c2ccncc2 TS18802 [1,0,0,0,0,0|1,0,0]=2 37 B16R2.88 c1ccc(cc1)SC(=O)c2cnccn2 TS22072 [1,0,0,0,0,0|2,1,0]=4 38 B18R2.3047 COc1ccccc1C(=O)Oc2ccccc2 TS52635 [0,1,0,0,0,0|0,0,0]=1 39 B18R2.3997 c1ccc(cc1)OS(=O)(=O)c2ccccc2N TS27910 [0,1,0,0,0,0|2,0,0]=3 40 B18R2.6485 c1ccc(cc1)CC(=O)c2c(cccc2F)F TS25195 [0,1,0,0,0,0|2,0,0]=3 41 B18R2.6536 c1ccc(cc1)NC(=O)c2cc(ccc2O)Cl TS62490 [0,1,0,0,0,0|1,0,0]=2 42 B18R2.6536 c1ccc(cc1)OC(=O)c2cc(ccc2N)Br TS58266 [0,1,0,0,0,0|1,0,0]=2 43 B18R2.6536 c1ccc(cc1)OC(=O)c2cc(ccc2N)I TS64164 [0,1,0,0,0,0|1,0,0]=2 44 B18R2.6536 c1ccc(cc1)OC(=O)c2cc(ccc2O)Br TS58359 [0,1,0,0,0,0|0,0,0]=1 45 B18R2.6536 c1ccc(cc1)OC(=O)c2cc(ccc2O)I TS64212 [0,1,0,0,0,0|0,0,0]=1 46 B18R2.6543 c1cc(c(cc1Cl)Cl)C(=O)Cc2ccncc2 TS30245 [0,1,0,0,0,0|3,0,0]=4 47 B18R2.6543 c1ccc(cc1)CC(=O)c2ccc(cc2O)O TS52649 [0,1,0,0,0,0|1,0,0]=2 48 B18R2.6543 c1ccc(cc1)OC(=O)c2ccc(cc2O)N TS09072 [0,1,0,0,0,0|0,0,0]=1 49 B18R2.9218 Cc1ccc(cc1)OC(=O)c2ccccc2O TS24493 [0,1,0,0,0,0|0,0,0]=1 50 B18R2.9218 c1ccc(c(c1)C(=O)Nc2ccc(cc2)Br)O TS58267 [0,1,0,0,0,0|1,0,0]=2 51 B18R2.9218 c1ccc(c(c1)C(=O)Nc2ccc(cc2)N)O TS24527 [0,1,0,0,0,0|1,0,0]=2 52 B18R2.9218 c1ccc(c(c1)C(=O)Nc2ccc(cc2)O)O TS52827 [0,1,0,0,0,0|1,0,0]=2 53 B18R2.9218 c1ccc(c(c1)C(=O)Oc2ccc(cc2)Cl)O TS27828 [0,1,0,0,0,0|0,0,0]=1 54 B18R2.32648 c1ccc(c(c1)C(=O)Nc2ccccc2Br)N TS35371 [0,1,0,0,0,0|2,0,0]=3 55 B18R2.32648 c1ccc(c(c1)C(=O)Nc2cccnc2Cl)N TS62493 [0,1,0,0,0,0|3,0,0]=4 56 B18R3.111 c1ccc(cc1)N2Cc3ccccc3C2=N TS35209 [0,0,0,1,0,0|3,0,0]=4 57 B18R3.111 c1ccc(cc1)c2c(c3ccccc3[nH]2)Br TS74195 [0,0,0,1,0,0|3,0,0]=4 58 B18R3.111 c1ccc(cc1)n2c(=O)c3ccccc3[se]2 TS74435 [0,0,0,1,0,0|1,1,0]=3 59 B18R3.2098 c1ccc(cc1)Cc2c3ccccc3[nH]n2 TS20612 [0,0,0,1,0,0|3,0,0]=4 60 B18R3.2098 c1ccc(cc1)Cc2c[nH]c3c2cccc3 TS20407 [0,0,0,1,0,0|3,0,0]=4 61 B18R3.47120 Cc1ccccc1c2nc3ccccc3s2 TS52203 [0,0,0,1,0,0|2,1,0]=4 62 B18R3.47120 c1ccc(c(c1)c2[nH]c3ccccc3n2)Cl TS24630 [0,0,0,1,0,0|3,0,0]=4 63 B18R3.47120 c1ccc(c(c1)c2[nH]c3ccccc3n2)N TS20763 [0,0,0,1,0,0|3,0,0]=4 64 B18R3.47120 c1ccc(c(c1)c2nc3ccccc3o2)O TS43988 [0,0,0,1,0,0|1,0,0]=2 65 B18R3.47120 c1ccc(c(c1)c2nc3ccccc3s2)Br TS35281 [0,0,0,1,0,0|2,1,0]=4 66 B18R3.47120 c1ccc(c(c1)c2nc3ccccc3s2)Cl TS27379 [0,0,0,1,0,0|2,1,0]=4 67 B18R3.47120 c1ccc(c(c1)c2nc3ccccc3s2)N TS52370 [0,0,0,1,0,0|2,1,0]=4 68 B18R3.47120 c1ccc(c(c1)c2nc3ccccc3s2)O TS24380 [0,0,0,1,0,0|1,1,0]=3 69 B18R3.47120 c1ccc2c(c1)cc([nH]2)c3ccccc3N TS20613 [0,0,0,1,0,0|3,0,0]=4 70 B18R3.92719 c1ccc2c(c1)C(=Nc3ccccc3S2)Cl TS01997 [0,0,0,1,0,0|2,1,0]=4 71 B18R3.92719 c1ccc2c(c1)C(=O)Nc3ccccc3N2 TS43817 [0,0,0,1,0,0|2,0,0]=3 72 B18R3.92719 c1ccc2c(c1)C(=O)Nc3ccccc3O2 TS21123 [0,0,0,1,0,0|1,0,0]=2 73 B18R3.92719 c1ccc2c(c1)C(=O)Nc3ccccc3S2 TS02114 [0,0,0,1,0,0|1,1,0]=3 74 B18R3.92719 c1ccc2c(c1)C(=O)Nc3cccnc3N2 TS16951 [0,0,0,1,0,0|3,0,0]=4 75 B16R2.3896 C=C(c1ccccc1)c2ccccc2Cl TS44626 [0,0,0,0,1,0|2,0,0]=3 76 B16R2.3896 Cc1ccccc1C(=O)c2ccccc2 TS18283 [0,0,0,0,1,0|1,0,0]=2 77 B16R2.3896 Cc1ccccc1C(c2ccccc2)Cl TS49197 [0,0,0,0,1,0|2,0,1]=4 78 B16R2.3896 Cc1ccccc1C(c2ccccc2)O TS18657 [0,0,0,0,1,0|1,0,2]=4 79 B16R2.3896 c1ccc(c(c1)C(=O)c2ccccn2)N TS18631 [0,0,0,0,1,0|2,0,0]=3 80 B16R2.3896 c1ccc(cc1)C(=O)c2ccccc2Br TS68463 [0,0,0,0,1,0|1,0,0]=2 81 B16R2.3896 c1ccc(cc1)C(=O)c2ccccc2Cl TS49177 [0,0,0,0,1,0|1,0,0]=2 82 B16R2.3896 c1ccc(cc1)C(=O)c2ccccc2F TS37886 [0,0,0,0,1,0|1,0,0]=2 83 B16R2.3896 c1ccc(cc1)C(=O)c2ccccc2I TS76230 [0,0,0,0,1,0|1,0,0]=2 84 B16R2.3896 c1ccc(cc1)C(=O)c2ccccc2N TS08809 [0,0,0,0,1,0|1,0,0]=2 85 B16R2.3896 c1ccc(cc1)C(=O)c2ccccc2O TS18615 [0,0,0,0,1,0|0,0,0]=1 86 B16R2.3896 c1ccc(cc1)C(=O)c2cccnc2O TS18818 [0,0,0,0,1,0|1,0,0]=2 87 B16R2.3896 c1ccc(cc1)C(c2ccccc2Cl)N TS63342 [0,0,0,0,1,0|2,0,1]=4 88 B16R2.3896 c1ccc(cc1)C(c2ccccc2N)O TS37742 [0,0,0,0,1,0|1,0,2]=4 89 B16R2.3896 c1ccc(cc1)[C@@H](c2ccccc2F)O TS19384 [0,0,0,0,1,0|1,0,2]=4 90 B16R2.3896 c1ccc(cc1)[C@H](c2ccccc2Cl)O TS22512 [0,0,0,0,1,0|1,0,2]=4 91 B16R2.3896 c1ccc(cc1)[C@H](c2ccccc2F)O TS19382 [0,0,0,0,1,0|1,0,2]=4 92 B18R2.3983 c1ccc(cc1)NC(=S)Nc2ccccc2Cl TS68666 [0,0,0,0,0,1|2,1,0]=4 93 B18R2.4001 CC(=NNc1ccccc1)c2ccccc2N TS24034 [0,0,0,0,0,1|3,0,0]=4 94 B18R2.4001 c1ccc(cc1)C=CC(=O)c2ccccc2O TS50482 [0,0,0,0,0,1|1,0,0]=2 95 B18R2.4001 c1ccc(cc1)CCC(=O)c2ccccc2O TS52357 [0,0,0,0,0,1|1,0,0]=2 96 B18R2.4001 c1ccc(cc1)CNC(=O)c2ccccc2Br TS35273 [0,0,0,0,0,1|2,0,0]=3 97 B18R2.4001 c1ccc(cc1)CNC(=O)c2cccnc2Cl TS62372 [0,0,0,0,0,1|3,0,0]=4 98 B18R2.4001 c1ccc(cc1)COC(=O)c2ccccc2N TS24363 [0,0,0,0,0,1|1,0,0]=2 99 B18R2.4001 c1ccc(cc1)COC(=O)c2ccccc2O TS24499 [0,0,0,0,0,1|0,0,0]=1 100 B15R2.2195 c1ccc(cc1)C#Cc2ccccc2 TS14253 [2,0,0,0,0,0|1,0,1]=4 101 B15R2.2195 c1ccc(cc1)C=Cc2ccccc2 TS47967 [2,0,0,0,0,0|1,0,0]=3 102 B15R2.2195 c1ccc(cc1)C=Cc2ccccc2 TS47969 [2,0,0,0,0,0|1,0,0]=3 103 B15R2.2195 c1ccc(cc1)C=Cc2ccccn2 TS14821 [2,0,0,0,0,0|2,0,0]=4 104 B15R2.2195 c1ccc(cc1)C=Cc2ccncc2 TS14826 [2,0,0,0,0,0|2,0,0]=4 105 B15R2.2195 c1ccc(cc1)C=Nc2ccccc2 TS14823 [2,0,0,0,0,0|1,0,0]=3 106 B15R2.2195 c1ccc(cc1)CCc2ccccc2 TS15019 [2,0,0,0,0,0|1,0,1]=4 107 B15R2.2195 c1ccc(cc1)CNc2ccccc2 TS01616 [2,0,0,0,0,0|1,0,1]=4 108 B15R2.2195 c1ccc(cc1)COc2ccccc2 TS48575 [2,0,0,0,0,0|0,0,1]=3 109 B15R2.2195 c1ccc(cc1)CSc2ccccc2 TS19062 [2,0,0,0,0,0|0,1,1]=4 110 B15R2.2195 c1ccc(cc1)N=Nc2ccccc2 TS14988 [2,0,0,0,0,0|2,0,0]=4 111 B15R2.2195 c1ccc(cc1)NNc2ccccc2 TS46966 [2,0,0,0,0,0|2,0,0]=4 112 B15R2.2195 c1ccc(cc1)SSc2ccccc2 TS22490 [2,0,0,0,0,0|1,1,0]=4 113 B17R2.262 c1ccc(cc1)CCc2ccccc2CO TS44221 [1,1,0,0,0,0|1,0,1]=4 114 B17R2.262 c1ccc(cc1)COc2ccccc2CO TS44528 [1,1,0,0,0,0|2,0,0]=4 115 B17R2.262 c1ccc(cc1)OCc2ccccc2CN TS44366 [1,1,0,0,0,0|1,0,1]=4 116 B17R2.496 c1ccc(c(c1)C=Nc2ccc(cc2)Br)O TS33766 [1,1,0,0,0,0|1,0,0]=3 117 B17R2.496 c1ccc(c(c1)COc2ccc(cc2)N)Cl TS25464 [1,1,0,0,0,0|1,0,1]=4 118 B17R2.5121 c1ccc(c(c1)C=Nc2ccccc2Cl)O TS53239 [1,1,0,0,0,0|1,0,0]=3 119 B17R2.5121 c1ccc(c(c1)C=Nc2ccccc2O)O TS44334 [1,1,0,0,0,0|1,0,0]=3 120 B17R2.5121 c1ccc(c(c1)C=Nc2ccccc2S)O TS24750 [1,1,0,0,0,0|1,0,0]=3 121 B17R2.5121 c1ccc(c(c1)N=Nc2ccccc2O)O TS44488 [1,1,0,0,0,0|2,0,0]=4 122 B17R2.5365 Cc1ccc(c(c1)N=Nc2ccccc2)O TS21342 [1,1,0,0,0,0|2,0,0]=4 123 B17R2.5365 c1ccc(cc1)N=Cc2cc(ccc2O)Cl TS53235 [1,1,0,0,0,0|1,0,0]=3 124 B17R2.162 c1ccc(cc1)C=C(C#N)c2ccccc2 TS20007 [1,1,0,0,0,0|2,0,0]=4 125 B17R2.162 c1ccc(cc1)CC(=NO)c2ccccc2 TS94258 [1,1,0,0,0,0|1,0,1]=4 126 B17R2.192 Cc1ccc(cc1)C(=O)Cc2ccccc2 TS43841 [1,1,0,0,0,0|1,0,0]=3 127 B17R2.192 Cc1ccc(cc1)C(=O)Cc2ccncc2 TS21151 [1,1,0,0,0,0|2,0,0]=4 128 B17R2.192 Cc1ccc(cc1)C(=O)Nc2ccccc2 TS44017 [1,1,0,0,0,0|1,0,0]=3 129 B17R2.192 c1cc(ccc1C(=O)Cc2ccncc2)Br TS31090 [1,1,0,0,0,0|2,0,0]=4 130 B17R2.192 c1cc(ccc1C(=O)Cc2ccncc2)Cl TS53236 [1,1,0,0,0,0|2,0,0]=4 131 B17R2.192 c1cc(ccc1C(=O)Cc2ccncc2)F TS46718 [1,1,0,0,0,0|2,0,0]=4 132 B17R2.192 c1ccc(cc1)CC(=O)c2ccc(cc2)Br TS33677 [1,1,0,0,0,0|1,0,0]=3 133 B17R2.192 c1ccc(cc1)CC(=O)c2ccc(cc2)Cl TS09002 [1,1,0,0,0,0|1,0,0]=3 134 B17R2.192 c1ccc(cc1)CC(=O)c2ccc(cc2)F TS60400 [1,1,0,0,0,0|1,0,0]=3 135 B17R2.192 c1ccc(cc1)CC(=O)c2ccc(cc2)O TS01377 [1,1,0,0,0,0|1,0,0]=3 136 B17R2.192 c1ccc(cc1)NC(=O)c2ccc(cc2)Cl TS53234 [1,1,0,0,0,0|1,0,0]=3 137 B17R2.192 c1ccc(cc1)OC(=O)c2ccc(cc2)N TS44340 [1,1,0,0,0,0|0,0,0]=2 138 B17R2.192 c1ccc(cc1)OC(=O)c2ccc(cc2)O TS21661 [1,1,0,0,0,0|0,0,0]=2 139 B17R2.209 Cc1ccc(cc1)CC(=O)c2ccccc2 TS43845 [1,1,0,0,0,0|1,0,0]=3 140 B17R2.209 Cc1ccc(cc1)CC(=O)c2cccnc2 TS21153 [1,1,0,0,0,0|2,0,0]=4 141 B17R2.209 Cc1ccc(cc1)OC(=O)c2ccccc2 TS21317 [1,1,0,0,0,0|0,0,0]=2 142 B17R2.209 c1cc(ccc1CC(=O)c2ccncc2)F TS21864 [1,1,0,0,0,0|2,0,0]=4 143 B17R2.209 c1ccc(cc1)C(=O)Cc2ccc(cc2)Br TS33682 [1,1,0,0,0,0|1,0,0]=3 144 B17R2.209 c1ccc(cc1)C(=O)Cc2ccc(cc2)F TS21665 [1,1,0,0,0,0|1,0,0]=3 145 B17R2.209 c1ccc(cc1)C(=O)Nc2ccc(cc2)N TS21335 [1,1,0,0,0,0|1,0,0]=3 146 B17R2.209 c1ccc(cc1)C(=O)Oc2ccc(cc2)Cl TS25302 [1,1,0,0,0,0|0,0,0]=2 147 B17R2.209 c1ccc(cc1)C(=O)Oc2ccc(cc2)O TS21663 [1,1,0,0,0,0|0,0,0]=2 148 B17R2.209 c1ccnc(c1)C(=O)Nc2ccc(cc2)Cl TS94812 [1,1,0,0,0,0|2,0,0]=4 149 B17R2.5273 Cc1cccc(c1)C(=O)Cc2ccncc2 TS44026 [1,1,0,0,0,0|2,0,0]=4 150 B17R2.5273 Cc1cccc(c1)C(=O)Nc2ccccc2 TS44027 [1,1,0,0,0,0|1,0,0]=3 151 B17R2.5273 c1ccc(cc1)CC(=O)c2cccc(c2)F TS44508 [1,1,0,0,0,0|1,0,0]=3 152 B17R2.5273 c1ccc(cc1)OC(=O)c2cccc(c2)O TS21646 [1,1,0,0,0,0|0,0,0]=2 153 B17R2.5293 c1ccc(cc1)C(=O)Cc2cccc(c2)F TS21664 [1,1,0,0,0,0|1,0,0]=3 154 B17R2.5293 c1ccc(cc1)C(=O)Oc2cccc(c2)O TS21651 [1,1,0,0,0,0|0,0,0]=2 155 B17R2.10205 C=C(c1ccccc1)C(=C)c2ccccc2 TS20251 [1,1,0,0,0,0|2,0,0]=4 156 B17R2.10205 c1ccc(cc1)C(=C(c2ccccc2)F)F TS49081 [1,1,0,0,0,0|2,0,0]=4 157 B17R2.10205 c1ccc(cc1)C(=O)C(=O)c2ccccc2 TS43805 [1,1,0,0,0,0|1,0,0]=3 158 B17R2.10205 c1ccc(cc1)C(=O)N(c2ccccc2)O TS21493 [1,1,0,0,0,0|1,0,0]=3 159 B17R2.10205 c1ccc(cc1)C(=S)C(=S)c2ccccc2 TS83702 [1,1,0,0,0,0|1,1,0]=4 160 B17R2.10205 c1ccc(cc1)C(C(=O)c2ccccc2)Br TS55082 [1,1,0,0,0,0|1,0,0]=3 161 B17R2.10205 c1ccc(cc1)C(C(=O)c2ccccc2)Cl TS24987 [1,1,0,0,0,0|1,0,0]=3 162 B17R2.10205 c1ccc(cc1)C(C(=O)c2ccccc2)O TS44178 [1,1,0,0,0,0|1,0,0]=3 163 B17R2.10205 c1ccc(cc1)C(C(=O)c2ccccc2)O TS67579 [1,1,0,0,0,0|1,0,0]=3 164 B17R2.10205 c1ccc(cc1)[C@@H](C(=O)c2ccccc2)O TS21321 [1,1,0,0,0,0|1,0,0]=3 165 B17R2.10205 c1ccc(cc1)[C@H](C(=O)c2ccccc2)O TS44183 [1,1,0,0,0,0|1,0,0]=3 166 B17R2.20249 c1ccc(cc1)CS(=O)(=O)c2ccccc2 TS53357 [1,1,0,0,0,0|2,0,0]=4 167 B17R2.20249 c1ccc(cc1)NS(=O)(=O)c2ccccc2 TS25419 [1,1,0,0,0,0|2,0,0]=4 168 B17R2.20249 c1ccc(cc1)OS(=O)(=O)c2ccccc2 TS25561 [1,1,0,0,0,0|1,0,0]=3 169 B17R2.381 Cc1ccc(cc1)C(=O)c2ccccc2I TS77339 [0,1,0,0,1,0|1,0,0]=3 170 B17R2.381 Cc1ccc(cc1)C(=O)c2ccccc2N TS44012 [0,1,0,0,1,0|1,0,0]=3 171 B17R2.381 c1ccc(c(c1)C(=O)c2ccc(cc2)Br)Br TS64204 [0,1,0,0,1,0|1,0,0]=3 172 B17R2.381 c1ccc(c(c1)C(=O)c2ccc(cc2)Br)N TS59685 [0,1,0,0,1,0|1,0,0]=3 173 B17R2.381 c1ccc(c(c1)C(=O)c2ccc(cc2)Cl)Br TS58586 [0,1,0,0,1,0|1,0,0]=3 174 B17R2.381 c1ccc(c(c1)C(=O)c2ccc(cc2)Cl)Cl TS62955 [0,1,0,0,1,0|1,0,0]=3 175 B17R2.381 c1ccc(c(c1)C(=O)c2ccc(cc2)Cl)N TS53241 [0,1,0,0,1,0|1,0,0]=3 176 B17R2.381 c1ccc(c(c1)C(=O)c2ccc(cc2)F)Cl TS56574 [0,1,0,0,1,0|1,0,0]=3 177 B17R2.381 c1ccc(c(c1)C(=O)c2ccc(cc2)F)F TS22360 [0,1,0,0,1,0|1,0,0]=3 178 B17R2.381 c1ccc(c(c1)C(=O)c2ccc(cc2)F)N TS21863 [0,1,0,0,1,0|1,0,0]=3 179 B17R2.381 c1ccc(c(c1)C(=O)c2ccc(cc2)O)F TS22013 [0,1,0,0,1,0|1,0,0]=3 180 B17R2.381 c1ccc(c(c1)C(=O)c2ccc(cc2)O)O TS21662 [0,1,0,0,1,0|0,0,0]=2 181 B17R2.1066 COc1ccccc1C(=O)c2ccccc2 TS21328 [0,1,0,0,1,0|0,0,0]=2 182 B17R2.2274 c1ccc(cc1)C(=NO)c2ccccc2N TS21341 [0,1,0,0,1,0|1,0,1]=4 183 B17R2.3434 c1ccc(cc1)S(=O)(=O)c2ccccc2N TS25415 [0,1,0,0,1,0|2,0,0]=4 184 B17R2.5268 c1ccc(cc1)C(=O)c2c(cccc2F)F TS49386 [0,1,0,0,1,0|1,0,0]=3 185 B17R2.5268 c1ccc(cc1)C(=O)c2c(ccnc2Cl)Cl TS63074 [0,1,0,0,1,0|2,0,0]=4 186 B17R2.5305 c1ccc(cc1)C(=O)c2cccc(c2F)F TS49384 [0,1,0,0,1,0|1,0,0]=3 187 B17R2.5305 c1ccc(cc1)C(=O)c2cccc(c2N)Br TS33768 [0,1,0,0,1,0|1,0,0]=3 188 B17R2.5356 Cc1ccc(c(c1)C(=O)c2ccccc2)C TS43837 [0,1,0,0,1,0|1,0,0]=3 189 B17R2.5356 Cc1ccc(c(c1)C(=O)c2ccccc2)O TS44185 [0,1,0,0,1,0|0,0,0]=2 190 B17R2.5356 c1ccc(cc1)C(=O)c2cc(ccc2Cl)Cl TS62951 [0,1,0,0,1,0|1,0,0]=3 191 B17R2.5356 c1ccc(cc1)C(=O)c2cc(ccc2F)F TS22366 [0,1,0,0,1,0|1,0,0]=3 192 B17R2.5356 c1ccc(cc1)C(=O)c2cc(ccc2N)Br TS55055 [0,1,0,0,1,0|1,0,0]=3 193 B17R2.5356 c1ccc(cc1)C(=O)c2cc(ccc2N)Cl TS53237 [0,1,0,0,1,0|1,0,0]=3 194 B17R2.5356 c1ccc(cc1)C(=O)c2cc(ccc2O)Br TS33885 [0,1,0,0,1,0|0,0,0]=2 195 B17R2.5356 c1ccc(cc1)C(=O)c2cc(ccc2O)Cl TS25300 [0,1,0,0,1,0|0,0,0]=2 196 B17R2.5356 c1ccnc(c1)C(=O)c2cc(ccc2N)Br TS47039 [0,1,0,0,1,0|2,0,0]=4 197 B17R2.5362 Cc1ccc(c(c1)C)C(=O)c2ccccc2 TS43835 [0,1,0,0,1,0|1,0,0]=3 198 B17R2.5362 Cc1ccc(c(c1)N)C(=O)c2ccccc2 TS21148 [0,1,0,0,1,0|1,0,0]=3 199 B17R2.5362 Cc1ccc(c(c1)O)C(=O)c2ccccc2 TS44187 [0,1,0,0,1,0|0,0,0]=2 200 B17R2.5362 c1ccc(cc1)C(=O)c2ccc(cc2Cl)Cl TS62950 [0,1,0,0,1,0|1,0,0]=3 201 B17R2.5362 c1ccc(cc1)C(=O)c2ccc(cc2F)F TS22365 [0,1,0,0,1,0|1,0,0]=3 202 B17R2.5362 c1ccc(cc1)C(=O)c2ccc(cc2N)Br TS31089 [0,1,0,0,1,0|1,0,0]=3 203 B17R2.5362 c1ccc(cc1)C(=O)c2ccc(cc2O)O TS21647 [0,1,0,0,1,0|0,0,0]=2 204 B17R2.20511 Cc1ccccc1C(=C)c2ccccc2C TS43523 [0,1,0,0,1,0|2,0,0]=4 205 B17R2.20511 c1ccc(c(c1)C(=O)c2ccccc2Cl)Cl TS62958 [0,1,0,0,1,0|1,0,0]=3 206 B17R2.20511 c1ccc(c(c1)C(=O)c2ccccc2F)N TS47351 [0,1,0,0,1,0|1,0,0]=3 207 B17R2.20511 c1ccc(c(c1)C(=O)c2ccccc2O)O TS21654 [0,1,0,0,1,0|0,0,0]=2 208 B17R2.41752 c1ccc(c(c1)C(=O)c2cccc(c2)F)F TS22361 [0,1,0,0,1,0|1,0,0]=3 209 B19R2.3385 COc1ccccc1OC(=O)Cc2ccccc2 TS57695 [0,1,0,0,0,1|1,0,0]=3 210 B19R2.50170 Cc1ccccc1NC(=O)Nc2ccccc2C TS57412 [0,1,0,0,0,1|2,0,0]=4 211 B19R2.50170 c1ccc(c(c1)NC(=O)Nc2ccccc2Br)Br TS66805 [0,1,0,0,0,1|2,0,0]=4 212 B19R2.4531 c1ccc(cc1)C=CC(=O)c2ccc(cc2Cl)Cl TS33897 [0,1,0,0,0,1|2,0,0]=4 213 B19R2.4531 c1ccc(cc1)C=CC(=O)c2ccc(cc2O)O TS26506 [0,1,0,0,0,1|1,0,0]=3 214 B19R2.4531 c1ccc(cc1)CCC(=O)c2ccc(cc2O)O TS57697 [0,1,0,0,0,1|1,0,0]=3 215 B19R2.4553 c1ccc(cc1)COC(=O)c2cc(ccc2N)Br TS75886 [0,1,0,0,0,1|1,0,0]=3 216 B19R2.4553 c1ccc(cc1)COC(=O)c2cc(ccc2N)I TS66043 [0,1,0,0,0,1|1,0,0]=3 217 B19R2.4553 c1ccc(cc1)COC(=O)c2cc(ccc2O)Br TS76164 [0,1,0,0,0,1|0,0,0]=2 218 B19R2.4553 c1ccc(cc1)COC(=O)c2cc(ccc2O)I TS79227 [0,1,0,0,0,1|0,0,0]=2 219 B19R2.5647 CC(c1ccccc1)NC(=O)c2ccccc2N TS57411 [0,1,0,0,0,1|2,0,0]=4 220 B19R2.5647 c1ccc(cc1)C(=O)CC(=O)c2ccccc2O TS26513 [0,1,0,0,0,1|1,0,0]=3 221 B19R2.50154 c1ccc(c(c1)C=CC(=O)c2ccccc2O)O TS26505 [0,1,0,0,0,1|1,0,0]=3 222 B19R2.101351 c1ccc(c(c1)C(=O)C=Cc2cccc(c2)O)O TS26525 [0,1,0,0,0,1|1,0,0]=3 223 B19R2.8825 c1ccc(cc1)CC(=O)c2ccccc2C(=O)O TS26507 [0,2,0,0,0,0|1,0,0]=3 224 B19R2.8825 c1ccc(cc1)NC(=O)c2ccccc2C(=O)O TS57539 [0,2,0,0,0,0|1,0,0]=3 225 B19R2.8825 c1ccc(cc1)NC(=O)c2ccccc2[N+](=O)[O-] TS26825 [0,2,0,0,0,0|1,0,1]=4 226 B19R2.50113 c1ccc(c(c1)C(=O)C(=O)c2ccccc2Cl)Cl TS34074 [0,2,0,0,0,0|2,0,0]=4 227 B19R2.62542 c1ccc(c(c1)N)S(=O)(=O)Oc2ccccc2Cl TS54665 [0,2,0,0,0,0|2,0,0]=4 228 B19R2.60510 c1ccc(cc1)CC(=O)c2c(cc(cc2O)O)O TS27147 [0,2,0,0,0,0|1,0,0]=3 229 B19R2.151817 c1cc(c(c(c1)O)C(=O)Nc2ccc(cc2)Br)O TS76235 [0,2,0,0,0,0|1,0,0]=3 230 B19R2.17311 c1ccc(cc1)NC(=O)c2cc(cc(c2O)Br)Br TS80015 [0,2,0,0,0,0|1,0,0]=3 231 B19R2.17311 c1ccc(cc1)OC(=O)c2cc(cc(c2O)Br)Br TS80043 [0,2,0,0,0,0|0,0,0]=2 232 B19R2.12259 Cc1ccc(cc1)OC(=O)c2cc(ccc2N)Br TS75885 [0,2,0,0,0,0|1,0,0]=3 233 B19R2.12259 Cc1ccc(cc1)OC(=O)c2cc(ccc2N)I TS66042 [0,2,0,0,0,0|1,0,0]=3 234 B19R2.12259 c1cc(ccc1NC(=O)c2cc(ccc2O)Br)Br TS80016 [0,2,0,0,0,0|1,0,0]=3 235 B19R2.12259 c1cc(ccc1NC(=O)c2cc(ccc2O)Br)Cl TS63444 [0,2,0,0,0,0|1,0,0]=3 236 B19R2.1070 COc1ccc(c(c1)O)C(=O)Cc2ccccc2 TS26848 [0,2,0,0,0,0|1,0,0]=3 237 B19R2.12255 Cc1ccc(cc1)CC(=O)c2ccc(cc2O)O TS57686 [0,2,0,0,0,0|1,0,0]=3 238 B19R2.12255 c1cc(ccc1CC(=O)c2ccc(cc2O)O)Br TS76162 [0,2,0,0,0,0|1,0,0]=3 239 B19R2.12255 c1cc(ccc1CC(=O)c2ccc(cc2O)O)Cl TS29853 [0,2,0,0,0,0|1,0,0]=3 240 B19R2.12255 c1cc(ccc1CC(=O)c2ccc(cc2O)O)F TS27447 [0,2,0,0,0,0|1,0,0]=3 241 B19R2.12255 c1cc(ccc1CC(=O)c2ccc(cc2O)O)O TS27146 [0,2,0,0,0,0|1,0,0]=3 242 B19R2.50263 c1ccc(c(c1)C(=O)Nc2ccc(c(c2)Cl)Cl)O TS54493 [0,2,0,0,0,0|1,0,0]=3 243 B19R2.103395 c1ccc(c(c1)C(=O)Nc2ccc(cc2F)F)Br TS60974 [0,2,0,0,0,0|2,0,0]=4 244 B17R2.143 c1ccc(cc1)CC(=O)Oc2ccccc2 TS21331 [0,0,1,1,0,0|1,0,1]=4 245 B17R2.143 c1ccc(cc1)OC(=O)Oc2ccccc2 TS21650 [0,0,1,1,0,0|2,0,0]=4 246 B17R2.5618 c1ccc(cc1)Oc2c(cccn2)C(=O)O TS21849 [0,0,1,1,0,0|2,0,0]=4 247 B17R2.5618 c1ccc(cc1)Oc2ccccc2C(=O)O TS65628 [0,0,1,1,0,0|2,0,0]=4 248 B17R3.1830 c1ccc2c(c1)C=Cc3ccccc3N2 TS17712 [1,0,0,1,0,0|2,0,0]=4 249 B17R3.4465 Cc1cccc2c1ccc3c2cccc3 TS51525 [1,0,0,1,0,0|2,0,0]=4 250 B17R3.4465 c1ccc2c(c1)ccc3c2cccc3O TS17874 [1,0,0,1,0,0|1,0,0]=3 251 B17R3.4465 c1ccc2c(c1)ccc3c2nccc3O TS52035 [1,0,0,1,0,0|2,0,0]=4 252 B17R3.8708 B1(Oc2ccccc2O1)c3ccccc3 TS18161 [1,0,0,1,0,0|2,0,0]=4 253 B17R3.8708 c1ccc(cc1)C2=Cc3ccccc3C2 TS51530 [1,0,0,1,0,0|2,0,0]=4 254 B17R3.8708 c1ccc(cc1)c2cc3ccccc3[nH]2 TS65637 [1,0,0,1,0,0|2,0,0]=4 255 B17R3.8708 c1ccc(cc1)c2nc3ccccc3o2 TS18081 [1,0,0,1,0,0|2,0,0]=4 256 B17R3.54615 Cc1cc2ccccc2c3c1cccc3 TS51519 [1,0,0,1,0,0|2,0,0]=4 257 B17R3.54615 c1ccc2c(c1)-c3ccccc3P(=O)O2 TS01326 [1,0,0,1,0,0|1,0,0]=3 258 B17R3.54615 c1ccc2c(c1)-c3ccccc3S(=O)O2 TS49119 [1,0,0,1,0,0|1,0,0]=3 259 B17R3.54615 c1ccc2c(c1)c3ccccc3[nH]c2=O TS08764 [1,0,0,1,0,0|1,0,0]=3 260 B17R3.54615 c1ccc2c(c1)c3ccccc3n(=O)n2 TS53660 [1,0,0,1,0,0|2,0,0]=4 261 B17R3.54615 c1ccc2c(c1)cc(c3c2cccc3)Br TS29039 [1,0,0,1,0,0|2,0,0]=4 262 B17R3.54615 c1ccc2c(c1)cc(c3c2cccc3)Cl TS21415 [1,0,0,1,0,0|2,0,0]=4 263 B17R3.54615 c1ccc2c(c1)cc(c3c2cccc3)I TS59249 [1,0,0,1,0,0|2,0,0]=4 264 B17R3.54615 c1ccc2c(c1)cc(c3c2cccc3)N TS17708 [1,0,0,1,0,0|2,0,0]=4 265 B17R3.54615 c1ccc2c(c1)cc(c3c2cccc3)O TS17868 [1,0,0,1,0,0|1,0,1]=4 266 B17R3.8 c1ccc(cc1)c2coc3c2cccc3 TS51845 [0,0,0,1,1,0|1,0,0]=3 267 B17R3.35227 Cc1c2ccccc2nc3c1cccc3 TS51681 [0,0,0,1,1,0|2,0,0]=4 268 B17R3.35227 c1ccc2c(c1)C(c3ccccc3O2)O TS54017 [0,0,0,1,1,0|0,0,2]=4 269 B17R3.35227 c1ccc2c(c1)Cc3ccccc3C2=O TS17867 [0,0,0,1,1,0|1,0,0]=3 270 B17R3.35227 c1ccc2c(c1)c(=O)c3c(o2)cccn3 TS53841 [0,0,0,1,1,0|1,0,0]=3 271 B17R3.35227 c1ccc2c(c1)c(=O)c3ccccc3[nH]2 TS52034 [0,0,0,1,1,0|1,0,0]=3 272 B17R3.35227 c1ccc2c(c1)c(=O)c3ccccc3[te]2 TS76221 [0,0,0,1,1,0|0,1,0]=3 273 B17R3.35227 c1ccc2c(c1)c(=O)c3ccccc3o2 TS32740 [0,0,0,1,1,0|0,0,0]=2 274 B17R3.35227 c1ccc2c(c1)c(=O)c3ccccc3s2 TS21355 [0,0,0,1,1,0|0,1,0]=3 275 B17R3.35227 c1ccc2c(c1)c(c3ccccc3n2)Cl TS64853 [0,0,0,1,1,0|2,0,0]=4 276 B17R3.35227 c1ccc2c(c1)c(c3ccccc3n2)N TS51868 [0,0,0,1,1,0|2,0,0]=4 277 B17R3.35227 c1ccc2c(c1)cc3ccccc3c2Br TS29040 [0,0,0,1,1,0|2,0,0]=4 278 B17R3.35227 c1ccc2c(c1)cc3ccccc3c2Cl TS21419 [0,0,0,1,1,0|2,0,0]=4 279 B17R3.35227 c1ccc2c(c1)cc3ccccc3c2N TS17702 [0,0,0,1,1,0|2,0,0]=4 280 B17R3.35227 c1ccc2c(c1)nc3ccccc3n2=O TS53657 [0,0,0,1,1,0|2,0,0]=4 281 B17R3.51174 c1ccc2c(c1)-c3cccc(c3C2=O)O TS18238 [0,0,0,1,1,0|0,0,0]=2 282 B19R3.291 c1ccc(cc1)c2cc3ccccc3oc2=O TS23457 [0,0,0,1,0,1|2,0,0]=4 283 B19R3.9171 c1ccc(cc1)C2CC(=O)c3ccccc3O2 TS50475 [0,0,0,1,0,1|1,0,0]=3 284 B19R3.9171 c1ccc(cc1)[C@H]2CC(=O)c3ccccc3N2 TS50347 [0,0,0,1,0,1|2,0,0]=4 285 B19R3.9171 c1ccc(cc1)c2cc(=O)c3ccccc3o2 TS23451 [0,0,0,1,0,1|1,0,0]=3 286 B19R3.9171 c1ccc(cc1)c2nc3ccccc3c(=O)o2 TS23665 [0,0,0,1,0,1|1,0,0]=3 287 B19R3.6048 c1ccc(cc1)c2coc3ccccc3c2=O TS23456 [0,1,0,1,0,0|1,0,0]=3 288 B19R3.6048 c1ccc(cc1)n2cnc3ccccc3c2=O TS70708 [0,1,0,1,0,0|2,0,0]=4 289 B19R3.6049 c1ccc(cc1)C2=C(c3ccccc3C2=O)N TS23308 [0,1,0,1,0,0|2,0,0]=4 290 B19R3.6049 c1ccc(cc1)N2C(=O)c3ccccc3C2=O TS23670 [0,1,0,1,0,0|1,0,1]=4 291 B19R3.157896 c1ccc2c(c1)CCc3ccccc3NC2=O TS08746 [0,1,0,1,0,0|2,0,0]=4 292 B19R3.370303 c1ccc2c(c1)c(=O)c3ccccc3[nH]c2=O TS23674 [0,1,0,1,0,0|1,0,1]=4 293 B19R3.370303 c1ccc2c(c1)c(=O)c3ccccc3oc2=O TS16800 [0,1,0,1,0,0|0,0,1]=3 294 B19R3.6065 CC1(Cc2ccccc2C1=O)c3ccccc3 TS50180 [0,1,0,1,0,0|2,0,0]=4 295 B19R3.54582 Cc1cccc(c1O)c2nc3ccccc3s2 TS26703 [0,1,0,1,0,0|1,1,0]=4 296 B19R3.5744 c1ccc2c(c1)NC(=O)c3cc(ccc3O2)Cl TS62207 [0,1,0,1,0,0|1,0,0]=3 297 B19R3.5866 c1ccc(cc1)Cc2c3cc(ccc3on2)Cl TS61917 [0,1,0,1,0,0|2,0,0]=4 298 B19R3.539901 Cc1ccc(c(c1)O)c2nc3ccccc3s2 TS26704 [0,1,0,1,0,0|1,1,0]=4 299 B19R3.2293 c1ccc(cc1)c2c(c3ccccc3[nH]2)C=O TS65638 [0,1,0,1,0,0|2,0,0]=4 300 B19R3.2162028 Cc1ccccc1c2nc3cc(ccc3o2)N TS23854 [0,1,0,1,0,0|2,0,0]=4 301 B19R3.2162028 c1ccc(c(c1)c2nc3cc(ccc3o2)N)Br TS35194 [0,1,0,1,0,0|2,0,0]=4 302 B19R3.87160 c1ccc2c(c1)C(=O)Nc3cc(ccc3N2)Cl TS55699 [0,1,0,1,0,0|2,0,0]=4 303 B19R4.2073 c1ccc2c(c1)c3c([nH]2)c4ccccc4o3 TS20371 [0,0,0,2,0,0|2,0,0]=4 304 B15R2.38 Cc1ccccc1Sc2ccccc2 TS19059 [1,0,0,0,1,0|1,1,0]=4 305 B15R2.38 c1ccc(cc1)Cc2ccccc2Br TS55162 [1,0,0,0,1,0|1,0,1]=4 306 B15R2.38 c1ccc(cc1)Cc2ccccc2Cl TS19488 [1,0,0,0,1,0|1,0,1]=4 307 B15R2.38 c1ccc(cc1)Cc2ccccc2F TS48906 [1,0,0,0,1,0|1,0,1]=4 308 B15R2.38 c1ccc(cc1)Cc2ccccc2N TS48462 [1,0,0,0,1,0|1,0,1]=4 309 B15R2.38 c1ccc(cc1)Cc2ccccc2O TS48584 [1,0,0,0,1,0|0,0,1]=3 310 B15R2.38 c1ccc(cc1)Nc2ccccc2Br TS27699 [1,0,0,0,1,0|2,0,0]=4 311 B15R2.38 c1ccc(cc1)Nc2ccccc2Cl TS38516 [1,0,0,0,1,0|2,0,0]=4 312 B15R2.38 c1ccc(cc1)Nc2ccccc2N TS15303 [1,0,0,0,1,0|2,0,0]=4 313 B15R2.38 c1ccc(cc1)Oc2ccccc2Cl TS19876 [1,0,0,0,1,0|1,0,0]=3 314 B15R2.38 c1ccc(cc1)Oc2ccccc2F TS50715 [1,0,0,0,1,0|1,0,0]=3 315 B15R2.38 c1ccc(cc1)Oc2ccccc2N TS48739 [1,0,0,0,1,0|1,0,0]=3 316 B15R2.38 c1ccc(cc1)Oc2ccccc2O TS65631 [1,0,0,0,1,0|0,0,0]=2 317 B15R2.38 c1ccc(cc1)Sc2ccccc2N TS19252 [1,0,0,0,1,0|1,1,0]=4 318 B15R2.2226 C=C(c1ccccc1)c2ccccc2 TS47963 [1,0,0,0,1,0|1,0,0]=3 319 B15R2.2226 CC(c1ccccc1)c2ccccc2 TS15023 [1,0,0,0,1,0|1,0,1]=4 320 B15R2.2226 CN(c1ccccc1)c2ccccc2 TS01598 [1,0,0,0,1,0|2,0,0]=4 321 B15R2.2226 CP(c1ccccc1)c2ccccc2 TS37893 [1,0,0,0,1,0|2,0,0]=4 322 B15R2.2226 c1ccc(cc1)C(=N)c2ccccc2 TS01883 [1,0,0,0,1,0|1,0,0]=3 323 B15R2.2226 c1ccc(cc1)C(=N)c2ccccc2 TS89112 [1,0,0,0,1,0|1,0,0]=3 324 B15R2.2226 c1ccc(cc1)C(=O)c2ccccc2 TS15142 [1,0,0,0,1,0|0,0,0]=2 325 B15R2.2226 c1ccc(cc1)C(=O)c2ccccc2 TS39855 [1,0,0,0,1,0|0,0,0]=2 326 B15R2.2226 c1ccc(cc1)C(=O)c2ccccn2 TS15141 [1,0,0,0,1,0|1,0,0]=3 327 B15R2.2226 c1ccc(cc1)C(=O)c2cccnc2 TS48433 [1,0,0,0,1,0|1,0,0]=3 328 B15R2.2226 c1ccc(cc1)C(=O)c2ccncc2 TS48434 [1,0,0,0,1,0|1,0,0]=3 329 B15R2.2226 c1ccc(cc1)C(c2ccccc2)Br TS27578 [1,0,0,0,1,0|1,0,1]=4 330 B15R2.2226 c1ccc(cc1)C(c2ccccc2)Cl TS39831 [1,0,0,0,1,0|1,0,1]=4 331 B15R2.2226 c1ccc(cc1)C(c2ccccc2)N TS55747 [1,0,0,0,1,0|1,0,1]=4 332 B15R2.2226 c1ccc(cc1)C(c2ccccc2)N TS55748 [1,0,0,0,1,0|1,0,1]=4 333 B15R2.2226 c1ccc(cc1)C(c2ccccc2)O TS55746 [1,0,0,0,1,0|0,0,2]=4 334 B15R2.2226 c1ccc(cc1)C(c2ccccc2)[SiH3] TS18715 [1,0,0,0,1,0|1,0,1]=4 335 B15R2.2226 c1ccc(cc1)N(c2ccccc2)N TS15296 [1,0,0,0,1,0|2,0,0]=4 336 B15R2.2226 c1ccc(cc1)N(c2ccccc2)N TS49883 [1,0,0,0,1,0|2,0,0]=4 337 B15R2.2226 c1ccc(cc1)P(=O)c2ccccc2 TS38234 [1,0,0,0,1,0|1,0,0]=3 338 B15R2.2226 c1ccc(cc1)P(c2ccccc2)Cl TS23193 [1,0,0,0,1,0|2,0,0]=4 339 B15R2.2226 c1ccc(cc1)S(=N)c2ccccc2 TS49649 [1,0,0,0,1,0|2,0,0]=4 340 B15R2.2226 c1ccc(cc1)S(=O)c2ccccc2 TS19430 [1,0,0,0,1,0|1,0,0]=3 341 B15R2.2226 c1ccc(cc1)[SiH](c2ccccc2)Cl TS49533 [1,0,0,0,1,0|1,1,0]=4 342 B15R2.2226 c1ccc(cc1)[Sn](=O)c2ccccc2 TS57986 [1,0,0,0,1,0|1,0,0]=3 343 B15R2.2226 c1ccc(cc1)[Sn](=S)c2ccccc2 TS75794 [1,0,0,0,1,0|1,1,0]=4 344 B15R2.2226 c1ccnc(c1)C(=O)c2ccccn2 TS48552 [1,0,0,0,1,0|2,0,0]=4 345 B15R2.395 c1ccc(cc1)C(=O)c2ccsc2N TS19621 [0,0,0,0,2,0|2,0,0]=4 346 B17R2.3956 c1ccc(cc1)NN=Cc2ccccc2Br TS33686 [1,0,0,0,0,1|2,0,0]=4 347 B17R2.2342 C=C(CCc1ccccc1)c2ccccc2 TS43524 [1,0,0,0,0,1|2,0,0]=4 348 B17R2.2342 c1ccc(cc1)C=CC(=O)c2ccccc2 TS07884 [1,0,0,0,0,1|1,0,0]=3 349 B17R2.2342 c1ccc(cc1)CCC(=O)c2ccccc2 TS43844 [1,0,0,0,0,1|1,0,0]=3 350 B17R2.2342 c1ccc(cc1)CNC(=O)c2ccccc2 TS44011 [1,0,0,0,0,1|1,0,0]=3 351 B17R2.2342 c1ccc(cc1)CNC(=O)c2cccnc2 TS21340 [1,0,0,0,0,1|2,0,0]=4 352 B17R2.2342 c1ccc(cc1)COC(=O)c2ccccc2 TS21330 [1,0,0,0,0,1|0,0,0]=2 353 B17R2.2342 c1ccc(cc1)COC(=O)c2cccnc2 TS44339 [1,0,0,0,0,1|1,0,0]=3 354 B17R2.2342 c1ccc(cc1)CSC(=O)c2ccccc2 TS24569 [1,0,0,0,0,1|0,1,0]=3 355 B17R2.2342 c1ccc(cc1)CSC(=S)c2ccccc2 TS27226 [1,0,0,0,0,1|0,2,0]=4 356 B19R2.4482 c1ccc(cc1)NC(=O)CSc2ccccc2N TS29244 [0,0,0,0,0,2|2,0,0]=4 357 B19R2.5666 c1ccc(cc1)CCOC(=O)c2ccccc2N TS57546 [0,0,0,0,0,2|1,0,0]=3 358 B19R2.5666 c1ccc(cc1)CCOC(=O)c2ccccc2O TS57684 [0,0,0,0,0,2|0,0,0]=2