0 B11R1.266 CC(C)C1=CC=CC(C=O)=C1 HR116428 [0,0,0,0,0,0|4,0,0]=4 1 B11R1.266 CC(C)C1=CC=CC(CO)=C1 HR155508 [0,0,0,0,0,0|4,0,0]=4 2 B11R1.266 COC1=CC(N(C)C)=CC=C1 HR101212 [0,0,0,0,0,0|3,0,0]=3 3 B11R1.266 COC1=CC=CC(B(O)O)=N1 HR111420 [0,0,0,0,0,0|4,0,0]=4 4 B11R1.266 COC1=CC=CC(C(=O)O)=N1 HR129178 [0,0,0,0,0,0|3,0,1]=4 5 B11R1.266 COC1=CC=CC(C(C)=O)=N1 HR117660 [0,0,0,0,0,0|2,0,1]=3 6 B11R1.266 COC1=CC=CC(C(C)C)=C1 HR154688 [0,0,0,0,0,0|2,0,0]=2 7 B11R1.266 COC1=CC=CC(C(C)N)=C1 HR109334 [0,0,0,0,0,0|3,0,0]=3 8 B11R1.266 COC1=CC=CC(C(C)N)=C1 HR112850 [0,0,0,0,0,0|3,0,0]=3 9 B11R1.266 COC1=CC=CC(C(C)N)=C1 HR115871 [0,0,0,0,0,0|3,0,0]=3 10 B11R1.266 COC1=CC=CC(C(C)O)=C1 HR141032 [0,0,0,0,0,0|3,0,0]=3 11 B11R1.266 COC1=CN=CC(B(O)O)=C1 HR121374 [0,0,0,0,0,0|4,0,0]=4 12 B11R1.266 COC1=CN=CC(C(=O)O)=C1 HR107278 [0,0,0,0,0,0|3,0,1]=4 13 B11R1.266 COC1=CN=CC(C(=O)O)=N1 HR30406 [0,0,0,0,0,0|2,0,1]=3 14 B11R1.266 COC1=CN=CC(C(N)=S)=N1 HR118091 [0,0,0,0,0,0|2,0,1]=3 15 B11R1.266 COC1=NC(C(C)C)=CC=C1 HR136972 [0,0,0,0,0,0|1,0,0]=1 16 B11R1.266 COc1cccc(C(C)=O)c1 HR137869 [0,0,0,0,0,0|3,0,1]=4 17 B10R1.113 CC(=O)C1=NC(C)=CC=C1 HR119103 [1,0,0,0,0,0|2,0,1]=4 18 B10R1.113 CC(C)C1=CC=CC(Br)=C1 HR132218 [1,0,0,0,0,0|3,0,0]=4 19 B10R1.113 CC(C)C1=CC=CC(Cl)=N1 HR137223 [1,0,0,0,0,0|2,0,0]=3 20 B10R1.113 CC(C)C1=CC=CC(I)=N1 HR153031 [1,0,0,0,0,0|2,0,0]=3 21 B10R1.113 CC(C)C1=CC=CC(N)=C1 HR140256 [1,0,0,0,0,0|3,0,0]=4 22 B10R1.113 CC(C)C1=CC=CC(N)=N1 HR110791 [1,0,0,0,0,0|2,0,0]=3 23 B10R1.113 CC(C)C1=CC=CC(O)=C1 HR153648 [1,0,0,0,0,0|2,0,0]=3 24 B10R1.113 CC1=CC(C(C)N)=CC=C1 HR112507 [1,0,0,0,0,0|3,0,0]=4 25 B10R1.113 CC1=CC=CC(N(C)C)=C1 HR126165 [1,0,0,0,0,0|3,0,0]=4 26 B10R1.113 CC1=NC(C(=O)O)=CN=C1 HR30103 [1,0,0,0,0,0|2,0,1]=4 27 B10R1.113 CN(C)C1=CC(Br)=CN=C1 HR152744 [1,0,0,0,0,0|3,0,0]=4 28 B10R1.113 CN(C)C1=CC=CC(O)=C1 HR137382 [1,0,0,0,0,0|3,0,0]=4 29 B10R1.113 CN(C)C1=NC(Br)=CC=C1 HR31891 [1,0,0,0,0,0|3,0,0]=4 30 B10R1.113 Cc1cccc(C(C)N)c1 HR112190 [1,0,0,0,0,0|3,0,0]=4 31 B10R1.172 C=CC1=NC(OC)=CC=C1 HR113314 [1,0,0,0,0,0|1,0,2]=4 32 B10R1.172 CCC1=CC(SC)=CC=C1 HR154156 [1,0,0,0,0,0|2,1,0]=4 33 B10R1.172 CCC1=CC=CC(CO)=N1 HR109519 [1,0,0,0,0,0|3,0,0]=4 34 B10R1.172 CCC1=NC(OC)=CC=C1 HR152523 [1,0,0,0,0,0|1,0,0]=2 35 B10R1.172 CCc1cccc(CC)c1 HR121574 [1,0,0,0,0,0|3,0,0]=4 36 B10R1.172 CNC1=CC=CC(OC)=N1 HR130562 [1,0,0,0,0,0|2,0,0]=3 37 B10R1.172 COC1=CC(SC)=CC=C1 HR140753 [1,0,0,0,0,0|3,0,0]=4 38 B10R1.172 COC1=CC=CC(C#N)=N1 HR107950 [1,0,0,0,0,0|2,0,1]=4 39 B10R1.172 COC1=CC=CC(C=O)=N1 HR127263 [1,0,0,0,0,0|2,0,1]=4 40 B10R1.172 COC1=CC=CC(CBr)=C1 HR121376 [1,0,0,0,0,0|3,0,0]=4 41 B10R1.172 COC1=CC=CC(CCl)=C1 HR138731 [1,0,0,0,0,0|3,0,0]=4 42 B10R1.172 COC1=CC=CC(CN)=C1 HR117311 [1,0,0,0,0,0|3,0,0]=4 43 B10R1.172 COC1=CC=CC(CN)=N1 HR107631 [1,0,0,0,0,0|2,0,0]=3 44 B10R1.172 COC1=CC=CC(CO)=C1 HR124149 [1,0,0,0,0,0|3,0,0]=4 45 B10R1.172 COC1=CC=CC(CO)=N1 HR109997 [1,0,0,0,0,0|2,0,0]=3 46 B10R1.172 COC1=CC=CC(OC)=C1 HR128107 [1,0,0,0,0,0|3,0,0]=4 47 B10R1.172 COC1=CC=CC(OC)=N1 HR129063 [1,0,0,0,0,0|2,0,0]=3 48 B10R1.172 COC1=CN=CC(C#N)=N1 HR33277 [1,0,0,0,0,0|1,0,1]=3 49 B10R1.172 COC1=CN=CC(C=O)=C1 HR116459 [1,0,0,0,0,0|2,0,1]=4 50 B10R1.172 COC1=CN=CC(CO)=C1 HR104545 [1,0,0,0,0,0|2,0,0]=3 51 B10R1.172 COC1=CN=CC(OC)=C1 HR150965 [1,0,0,0,0,0|2,0,0]=3 52 B10R1.172 COC1=CN=CC(OC)=C1 HR33246 [1,0,0,0,0,0|2,0,0]=3 53 B10R1.172 COC1=CN=CC(OC)=N1 HR137509 [1,0,0,0,0,0|1,0,0]=2 54 B10R1.172 COC1=CN=CC(SC)=C1 HR152981 [1,0,0,0,0,0|2,0,0]=3 55 B10R1.172 COC1=NC(OC)=NC=C1 HR133291 [1,0,0,0,0,0|3,0,0]=4 56 B10R1.172 CSC1=CN=CC(SC)=C1 HR156460 [1,0,0,0,0,0|2,1,0]=4 57 B12R1.11 COC1=CC(Br)=CC(C(C)C)=C1 HR154780 [0,1,0,0,0,0|2,0,0]=3 58 B12R1.56 COC1=C(Br)N=CC(C(C)=O)=C1 HR153159 [0,1,0,0,0,0|2,0,1]=4 59 B12R1.56 COC1=C(C)C=CC(C(C)C)=C1 HR115722 [0,1,0,0,0,0|2,0,0]=3 60 B12R1.258 CC(=O)C1=CC(C(C)C)=CC=C1 HR33647 [0,1,0,0,0,0|3,0,0]=4 61 B12R1.258 CC(C)C1=CC=CC(C(C)C)=N1 HR153023 [0,1,0,0,0,0|2,0,0]=3 62 B12R1.279 CCOc1cccc(C(C)N)c1 HR105238 [0,1,0,0,0,0|3,0,0]=4 63 B12R1.435 COC(=O)C1=CC(OC)=CN=C1 HR152670 [0,1,0,0,0,0|2,0,1]=4 64 B12R1.435 COC(=O)C1=NC(OC)=CC=C1 HR152660 [0,1,0,0,0,0|2,0,1]=4 65 B12R1.435 COC(=O)C1=NC(OC)=CN=C1 HR108226 [0,1,0,0,0,0|1,0,1]=3 66 B12R1.436 COC1=NC(C(F)(F)F)=CC=C1 HR33901 [0,1,0,0,0,0|3,0,0]=4 67 B12R1.453 COC1=CC(C(C)C)=C(Br)C=C1 HR154689 [0,1,0,0,0,0|2,0,0]=3 68 B12R1.453 COC1=CC(C(C)C)=C(O)C=C1 HR105986 [0,1,0,0,0,0|2,0,0]=3 69 B12R2.43 COC1=CC(C2CC2)=CN=C1 HR152888 [0,0,0,1,0,0|1,0,0]=2 70 B12R2.43 O=CC1=CC(C2CC2)=CN=C1 HR152973 [0,0,0,1,0,0|3,0,0]=4 71 B12R1.438 CC(C)OC1=CN=CC(C=O)=C1 HR152638 [0,0,0,0,0,1|3,0,0]=4 72 B12R1.438 CC(C)OC1=CN=CC(CO)=C1 HR153089 [0,0,0,0,0,1|3,0,0]=4 73 B9R1.2 CC1=CC=CC(CBr)=N1 HR138125 [2,0,0,0,0,0|2,0,0]=4 74 B9R1.2 CC1=CC=CC(CCl)=N1 HR117937 [2,0,0,0,0,0|2,0,0]=4 75 B9R1.2 CC1=CC=CC(CN)=N1 HR105915 [2,0,0,0,0,0|2,0,0]=4 76 B9R1.2 CC1=CC=CC(CO)=N1 HR20959 [2,0,0,0,0,0|2,0,0]=4 77 B9R1.2 CC1=CN=CC(CCl)=C1 HR107932 [2,0,0,0,0,0|2,0,0]=4 78 B9R1.2 CC1=CN=CC(CO)=C1 HR103480 [2,0,0,0,0,0|2,0,0]=4 79 B9R1.2 CCC1=CC=CC(N)=N1 HR111426 [2,0,0,0,0,0|2,0,0]=4 80 B9R1.2 CCC1=CC=CC(O)=C1 HR132582 [2,0,0,0,0,0|2,0,0]=4 81 B9R1.2 CCC1=CN=CC(Br)=C1 HR147705 [2,0,0,0,0,0|2,0,0]=4 82 B9R1.2 CCC1=NC(C)=CN=C1 HR103679 [2,0,0,0,0,0|0,0,0]=2 83 B9R1.2 CNC1=NC(Cl)=CN=C1 HR147547 [2,0,0,0,0,0|2,0,0]=4 84 B9R1.2 COC1=CC(C)=CC=C1 HR135808 [2,0,0,0,0,0|2,0,0]=4 85 B9R1.2 COC1=CC(C)=CN=C1 HR104484 [2,0,0,0,0,0|1,0,0]=3 86 B9R1.2 COC1=CC=CC(Br)=N1 HR136250 [2,0,0,0,0,0|2,0,0]=4 87 B9R1.2 COC1=CC=CC(Cl)=N1 HR136204 [2,0,0,0,0,0|2,0,0]=4 88 B9R1.2 COC1=CC=CC(I)=N1 HR32677 [2,0,0,0,0,0|2,0,0]=4 89 B9R1.2 COC1=CC=CC(N)=N1 HR12919 [2,0,0,0,0,0|2,0,0]=4 90 B9R1.2 COC1=CN=CC(Br)=C1 HR133604 [2,0,0,0,0,0|2,0,0]=4 91 B9R1.2 COC1=CN=CC(Cl)=C1 HR136337 [2,0,0,0,0,0|2,0,0]=4 92 B9R1.2 COC1=CN=CC(Cl)=N1 HR147275 [2,0,0,0,0,0|1,0,0]=3 93 B9R1.2 COC1=CN=CC(F)=C1 HR152698 [2,0,0,0,0,0|2,0,0]=4 94 B9R1.2 COC1=CN=CC(N)=C1 HR33750 [2,0,0,0,0,0|2,0,0]=4 95 B9R1.2 COC1=CN=CC(N)=N1 HR115560 [2,0,0,0,0,0|1,0,0]=3 96 B9R1.2 COC1=CN=CC(O)=C1 HR106001 [2,0,0,0,0,0|2,0,0]=4 97 B9R1.2 COC1=NC(C)=CC=C1 HR130037 [2,0,0,0,0,0|1,0,0]=3 98 B9R1.2 COC1=NC(C)=CN=C1 HR124217 [2,0,0,0,0,0|0,0,0]=2 99 B9R1.2 COC1=NC(C)=NC=C1 HR146475 [2,0,0,0,0,0|2,0,0]=4 100 B9R1.2 CSC1=CN=CC(C)=N1 HR124732 [2,0,0,0,0,0|0,1,0]=3 101 B9R1.2 CSC1=CN=CC(O)=C1 HR152980 [2,0,0,0,0,0|2,0,0]=4 102 B9R1.6 CC(=O)C1=NC=CN=C1 HR124333 [2,0,0,0,0,0|1,0,1]=4 103 B9R1.6 CC(C)C1=NC=CC=C1 HR121179 [2,0,0,0,0,0|1,0,0]=3 104 B9R1.6 CC(C)C1=NC=CN=C1 HR137695 [2,0,0,0,0,0|0,0,0]=2 105 B9R1.6 CC(N)C1=NC=CC=C1 HR118573 [2,0,0,0,0,0|2,0,0]=4 106 B9R1.6 CC(N)C1=NC=CC=C1 HR139032 [2,0,0,0,0,0|2,0,0]=4 107 B9R1.6 CC(N)C1=NC=CC=C1 HR146145 [2,0,0,0,0,0|2,0,0]=4 108 B9R1.6 CC(O)C1=NC=CC=C1 HR139212 [2,0,0,0,0,0|2,0,0]=4 109 B9R1.6 CC(O)c1ccccn1 HR139125 [2,0,0,0,0,0|2,0,0]=4 110 B9R1.6 CN(C)C1=NC=CC=C1 HR100852 [2,0,0,0,0,0|2,0,0]=4 111 B11R1.21 CC(C)C1=CC(O)=C(Cl)C=C1 HR155350 [1,1,0,0,0,0|2,0,0]=4 112 B11R1.21 CC(C)C1=CC(O)=C(I)C=C1 HR33752 [1,1,0,0,0,0|2,0,0]=4 113 B11R1.21 CC(C)C1=CC=C(O)C(O)=C1 HR105058 [1,1,0,0,0,0|2,0,0]=4 114 B11R1.21 CC1=CC=C(C(C)C)C=C1O HR136037 [1,1,0,0,0,0|2,0,0]=4 115 B11R1.21 CC1=NC=C(C(C)C)N=C1C HR128212 [1,1,0,0,0,0|0,0,0]=2 116 B11R1.23 COC(=O)C1=NC(C)=CN=C1 HR103017 [1,1,0,0,0,0|1,0,1]=4 117 B11R1.74 CC(C)C1=CC(O)=CC(Br)=C1 HR154779 [1,1,0,0,0,0|2,0,0]=4 118 B11R1.155 CC(C)(C)C1=CC=CC(Br)=N1 HR115709 [1,1,0,0,0,0|2,0,0]=4 119 B11R1.155 CC(C)(C)C1=CC=CC(O)=C1 HR130325 [1,1,0,0,0,0|2,0,0]=4 120 B11R1.155 CC(C)(O)C1=NC(Br)=CC=C1 HR102171 [1,1,0,0,0,0|2,0,0]=4 121 B11R1.159 CC(C)C1=C(O)C(O)=CC=C1 HR33810 [1,1,0,0,0,0|2,0,0]=4 122 B11R1.159 CC(C)C1=CC=CC(O)=C1F HR32289 [1,1,0,0,0,0|2,0,0]=4 123 B11R1.159 CC1=C(N)C(C(C)C)=CC=C1 HR136001 [1,1,0,0,0,0|2,0,0]=4 124 B11R1.159 CC1=C(O)C(C(C)C)=CC=C1 HR106844 [1,1,0,0,0,0|2,0,0]=4 125 B11R1.167 CC(C)C1=C(Br)C=CC(O)=C1 HR156349 [1,1,0,0,0,0|2,0,0]=4 126 B11R1.167 CC1=CN=C(F)C(C(C)O)=C1 HR152962 [1,1,0,0,0,0|2,0,0]=4 127 B11R1.167 CN(C)C1=NC(Br)=CN=C1N HR147247 [1,1,0,0,0,0|2,0,0]=4 128 B11R1.9 CCC1=CC(Br)=CC(CC)=N1 HR120417 [1,1,0,0,0,0|2,0,0]=4 129 B11R1.189 CNCC1=CC(OC)=CC=C1 HR144818 [1,1,0,0,0,0|2,0,0]=4 130 B11R1.189 COC1=CC=CC(CC#N)=N1 HR102765 [1,1,0,0,0,0|1,0,1]=4 131 B11R1.189 COC1=CC=CC(CCN)=C1 HR136244 [1,1,0,0,0,0|2,0,0]=4 132 B11R1.189 COC1=CC=CC(CCO)=C1 HR141693 [1,1,0,0,0,0|2,0,0]=4 133 B11R1.267 COC1=CN=CC(OC)=C1N HR33247 [1,1,0,0,0,0|2,0,0]=4 134 B11R1.280 CCC1=CC(OC)=C(O)C=C1 HR126495 [1,1,0,0,0,0|2,0,0]=4 135 B11R1.280 CCC1=NC(OC)=CC=C1Br HR152524 [1,1,0,0,0,0|1,0,0]=3 136 B11R1.280 CNC1=NC(OC)=CC=C1N HR114463 [1,1,0,0,0,0|2,0,0]=4 137 B11R1.280 CNC1=NC(OC)=CC=C1N HR134385 [1,1,0,0,0,0|2,0,0]=4 138 B11R1.280 COC1=C(Br)N=CC(CO)=C1 HR153966 [1,1,0,0,0,0|2,0,0]=4 139 B11R1.280 COC1=C(Cl)N=CC(CO)=C1 HR153161 [1,1,0,0,0,0|2,0,0]=4 140 B11R1.280 COC1=CC=C(Br)C(OC)=N1 HR152529 [1,1,0,0,0,0|2,0,0]=4 141 B11R1.280 COC1=CC=C(Cl)C(OC)=N1 HR153127 [1,1,0,0,0,0|2,0,0]=4 142 B11R1.280 COC1=CC=C(I)C(OC)=N1 HR152895 [1,1,0,0,0,0|2,0,0]=4 143 B11R1.280 COC1=CC=C(N)C(OC)=N1 HR119893 [1,1,0,0,0,0|2,0,0]=4 144 B11R1.280 COC1=CC=C(O)C(OC)=N1 HR152838 [1,1,0,0,0,0|2,0,0]=4 145 B11R1.280 COC1=CN=C(F)C(CO)=C1 HR152986 [1,1,0,0,0,0|2,0,0]=4 146 B11R1.124 CNCC1=CSC(C(C)C)=N1 HR104383 [0,1,0,0,1,0|2,0,0]=4 147 B11R1.124 CNCC1=CSC(C(C)C)=N1 HR138514 [0,1,0,0,1,0|2,0,0]=4 148 B11R1.124 CNCc1csc(C(C)C)n1 HR111761 [0,1,0,0,1,0|2,0,0]=4 149 B13R1.50 COC1=C(N)C=CC(C(C)(C)C)=C1 HR144574 [0,2,0,0,0,0|2,0,0]=4 150 B13R1.354 CCOC1=C(C)C=CC(C(C)C)=C1 HR116036 [0,2,0,0,0,0|2,0,0]=4 151 B13R1.543 COC(=O)C1=CC(N(C)C)=CN=C1 HR103369 [0,2,0,0,0,0|2,0,0]=4 152 B13R1.98 COC1=CC(C(C)(C)C)=C(O)C=C1 HR131917 [0,2,0,0,0,0|2,0,0]=4 153 B13R1.2430 COC1=CC(C(C)C)=C(C=O)C=C1 HR155709 [0,2,0,0,0,0|2,0,0]=4 154 B13R1.2430 COC1=CC(C(C)C)=C(CO)C=C1 HR155708 [0,2,0,0,0,0|2,0,0]=4 155 B13R1.2430 COC1=NC(C(C)C)C(OC)=NC1 HR112516 [0,2,0,0,0,0|0,0,2]=4 156 B13R1.2430 COC1=NC(C(C)C)C(OC)=NC1 HR126715 [0,2,0,0,0,0|0,0,2]=4 157 B11R2.35 BrC1=CC(C2CC2)=CN=C1 HR31886 [1,0,0,1,0,0|2,0,0]=4 158 B11R2.35 BrC1=NC(C2CC2)=CC=C1 HR31882 [1,0,0,1,0,0|2,0,0]=4 159 B11R2.35 FC1=CC(C2CC2)=CN=C1 HR152874 [1,0,0,1,0,0|2,0,0]=4 160 B13R2.448 CCOC1=CC(C2CC2)=CN=C1 HR152894 [0,1,0,1,0,0|1,0,0]=3 161 B9R1.35 CC(C)C1=CSC(Br)=N1 HR33514 [1,0,0,0,1,0|2,0,0]=4 162 B9R1.35 CC(C)C1=CSC(N)=N1 HR33513 [1,0,0,0,1,0|2,0,0]=4 163 B9R1.35 CC(C)C1=NC(Br)=CS1 HR148884 [1,0,0,0,1,0|2,0,0]=4 164 B9R1.35 CC(C)C1=NSC(N)=N1 HR122026 [1,0,0,0,1,0|2,0,0]=4 165 B9R1.35 CC1=CSC(C(C)C)=N1 HR138124 [1,0,0,0,1,0|1,0,0]=3 166 B9R1.35 CC1=NC(C(C)N)=CS1 HR105834 [1,0,0,0,1,0|2,0,0]=4 167 B9R1.41 CC(C)C1=C(N)NN=C1 HR106593 [1,0,0,0,1,0|2,0,0]=4 168 B9R1.14 COC1=CSC=C1OC HR129327 [1,0,0,0,1,0|2,0,0]=4 169 B9R1.21 CCC1=CC=C(CC)S1 HR138839 [1,0,0,0,1,0|2,0,0]=4 170 B9R1.21 COC1=CC=C(OC)O1 HR140929 [1,0,0,0,1,0|2,0,0]=4 171 B11R1.157 CC(C)NC1=NC(Cl)=CN=C1 HR119790 [1,0,0,0,0,1|1,0,0]=3 172 B11R1.157 CC(C)OC1=CC=CC(Cl)=N1 HR152832 [1,0,0,0,0,1|2,0,0]=4 173 B11R1.157 CC(C)OC1=CC=CC(O)=C1 HR154512 [1,0,0,0,0,1|2,0,0]=4 174 B11R1.157 CC(C)OC1=CN=CC(Br)=C1 HR153567 [1,0,0,0,0,1|2,0,0]=4 175 B11R1.157 CC(C)OC1=CN=CC(O)=C1 HR153086 [1,0,0,0,0,1|1,0,0]=3 176 B11R1.157 CC1=CC=CC(CC(C)N)=N1 HR119614 [1,0,0,0,0,1|2,0,0]=4 177 B11R1.3 COC1=CC=C(C(C)C)C=C1 HR111314 [0,0,0,0,1,1|1,0,0]=3 178 B11R1.3 COC1=CC=C(C(C)N)C=C1 HR121382 [0,0,0,0,1,1|2,0,0]=4 179 B11R1.3 COC1=CC=C(C(C)N)C=C1 HR131107 [0,0,0,0,1,1|2,0,0]=4 180 B11R1.3 COC1=CC=C(C(C)O)C=C1 HR104038 [0,0,0,0,1,1|2,0,0]=4 181 B11R1.3 COC1=CC=C(C(C)O)C=C1 HR122984 [0,0,0,0,1,1|2,0,0]=4 182 B11R1.3 COC1=CC=C(N(C)C)C=C1 HR16956 [0,0,0,0,1,1|2,0,0]=4 183 B11R1.3 COC1=NC=C(C(C)=O)C=C1 HR16770 [0,0,0,0,1,1|1,0,1]=4 184 B11R1.3 COc1ccc(C(C)N)cc1 HR9919 [0,0,0,0,1,1|2,0,0]=4