0 B14R2.1008 BrC(Br)=Cc1cc2OCOc2cc1 Amb24491662 [0,0,0,0,0,0|2,0,2]=4 1 B14R2.1008 CC(=O)Cc1cc2CCCc2cc1 Amb18243588 [0,0,0,0,0,0|3,0,1]=4 2 B14R2.1008 CC(=O)Cc1cc2CCOc2cc1 Amb24368926 [0,0,0,0,0,0|2,0,1]=3 3 B14R2.1008 CC(=O)Cc1cc2[n]coc2cc1 Amb18893602 [0,0,0,0,0,0|2,0,2]=4 4 B14R2.1008 CC(=O)Cc1cc2ccoc2cc1 Amb25767854 [0,0,0,0,0,0|2,0,2]=4 5 B14R2.1008 CC(=O)Cc1cc2oc[n]c2cc1 Amb18243605 [0,0,0,0,0,0|2,0,2]=4 6 B14R2.1008 CC(=O)Cc1cc2occc2cc1 Amb22054403 [0,0,0,0,0,0|2,0,2]=4 7 B14R2.1008 CC(=O)Nc1cc2CCOc2cc1 Amb25820839 [0,0,0,0,0,0|3,0,1]=4 8 B14R2.1008 CC(=O)Nc1ccc2CCOc2c1 Amb23399922 [0,0,0,0,0,0|3,0,1]=4 9 B14R2.1008 CC(=O)Nc1ccc2c(c1)OCO2 Amb1196404 [0,0,0,0,0,0|2,0,1]=3 10 B14R2.1008 CC(=O)Oc1ccc2c(c1)OCC2 Amb10564579 [0,0,0,0,0,0|3,0,1]=4 11 B14R2.1008 CC(=S)Nc1ccc2c(c1)OCO2 Amb1150918 [0,0,0,0,0,0|2,0,1]=3 12 B14R2.1008 CC(Br)Cc1cc2CCCc2cc1 Amb18548908 [0,0,0,0,0,0|3,0,0]=3 13 B14R2.1008 CC(Br)Cc1ccc2OCOc2c1 Amb17940336 [0,0,0,0,0,0|1,0,0]=1 14 B14R2.1008 CC(C)Cc1cc2NCCc2cc1 Amb25755692 [0,0,0,0,0,0|3,0,0]=3 15 B14R2.1008 CC(C)Oc1cc2CCCc2cc1 Amb24505425 [0,0,0,0,0,0|4,0,0]=4 16 B14R2.1008 CC(C)Oc1cc2CCNc2cc1 Amb18893617 [0,0,0,0,0,0|4,0,0]=4 17 B14R2.1008 CC(C)Oc1cc2CCOc2cc1 Amb25049546 [0,0,0,0,0,0|3,0,0]=3 18 B14R2.1008 CC(C)Oc1cc2[n]coc2cc1 Amb24436583 [0,0,0,0,0,0|3,0,1]=4 19 B14R2.1008 CC(C)Oc1cc2ccoc2cc1 Amb24730583 [0,0,0,0,0,0|3,0,1]=4 20 B14R2.1008 CC(C)Oc1ccc2CCNc2c1 Amb24067518 [0,0,0,0,0,0|4,0,0]=4 21 B14R2.1008 CC(C)Sc1cc2CCCc2cc1 Amb24343342 [0,0,0,0,0,0|4,0,0]=4 22 B14R2.1008 CC(C)Sc1cc2CCNc2cc1 Amb24067514 [0,0,0,0,0,0|4,0,0]=4 23 B14R2.1008 CC(Cc1ccc2c(c1)nco2)C Amb17570157 [0,0,0,0,0,0|2,0,1]=3 24 B14R2.1008 CC(Cl)Cc1cc2CCCc2cc1 Amb18549317 [0,0,0,0,0,0|3,0,0]=3 25 B14R2.1008 CC(Cl)Cc1ccc2OCOc2c1 Amb18049254 [0,0,0,0,0,0|1,0,0]=1 26 B14R2.1008 CC(N)Cc1cc2CCCc2cc1 Amb18549085 [0,0,0,0,0,0|2,0,0]=2 27 B14R2.1008 CC(N)Cc1cc2CCOc2cc1 Amb19373562 [0,0,0,0,0,0|1,0,0]=1 28 B14R2.1008 CC(N)Cc1cc2COCc2cc1 Amb24668876 [0,0,0,0,0,0|3,0,0]=3 29 B14R2.1008 CC(N)Cc1cc2OCCc2cc1 Amb21927116 [0,0,0,0,0,0|1,0,0]=1 30 B14R2.1008 CC(N)Cc1cc2OCCc2cc1 Amb21963891 [0,0,0,0,0,0|1,0,0]=1 31 B14R2.1008 CC(N)Cc1cc2[nH]ccc2cc1 Amb24068185 [0,0,0,0,0,0|2,0,1]=3 32 B14R2.1008 CC(N)Cc1cc2[n][s][n]c2cc1 Amb25113854 [0,0,0,0,0,0|3,0,0]=3 33 B14R2.1008 CC(N)Cc1cc2[n]c[nH]c2cc1 Amb18197126 [0,0,0,0,0,0|2,0,1]=3 34 B14R2.1008 CC(N)Cc1cc2[n]c[s]c2cc1 Amb18244015 [0,0,0,0,0,0|1,1,1]=3 35 B14R2.1008 CC(N)Cc1cc2[n]coc2cc1 Amb18243653 [0,0,0,0,0,0|1,0,1]=2 36 B14R2.1008 CC(N)Cc1cc2[n]o[n]c2cc1 Amb24763734 [0,0,0,0,0,0|3,0,0]=3 37 B14R2.1008 CC(N)Cc1cc2c[n][nH]c2cc1 Amb24382949 [0,0,0,0,0,0|3,0,0]=3 38 B14R2.1008 CC(N)Cc1cc2cc[nH]c2[n]c1 Amb24352632 [0,0,0,0,0,0|3,0,1]=4 39 B14R2.1008 CC(N)Cc1cc2cc[nH]c2cc1 Amb18676632 [0,0,0,0,0,0|2,0,1]=3 40 B14R2.1008 CC(N)Cc1cc2cc[s]c2cc1 Amb18675376 [0,0,0,0,0,0|1,1,1]=3 41 B14R2.1008 CC(N)Cc1cc2ccoc2cc1 Amb18676616 [0,0,0,0,0,0|1,0,1]=2 42 B14R2.1008 CC(N)Cc1cc2ccoc2cc1 Amb22410847 [0,0,0,0,0,0|1,0,1]=2 43 B14R2.1008 CC(N)Cc1cc2cocc2cc1 Amb22585808 [0,0,0,0,0,0|3,0,0]=3 44 B14R2.1008 CC(N)Cc1cc2oc[n]c2cc1 Amb18243648 [0,0,0,0,0,0|1,0,1]=2 45 B14R2.1008 CC(N)Cc1cc2occc2cc1 Amb22055747 [0,0,0,0,0,0|1,0,1]=2 46 B14R2.1008 CC(N)Cc1ccc2OCOc2c1 Amb22362931 [0,0,0,0,0,0|0,0,0]=0 47 B14R2.1008 CC(O)Cc1cc2CCCc2cc1 Amb24558073 [0,0,0,0,0,0|3,0,0]=3 48 B14R2.1008 CC(O)Cc1cc2CCOc2cc1 Amb24531837 [0,0,0,0,0,0|2,0,0]=2 49 B14R2.1008 CC(O)Cc1cc2cc[s]c2cc1 Amb24094699 [0,0,0,0,0,0|2,1,1]=4 50 B14R2.1008 CC(O)Cc1ccc2OCOc2c1 Amb24496826 [0,0,0,0,0,0|1,0,0]=1 51 B14R2.1008 CC(O)Nc1cc2OCOc2cc1 Amb25241532 [0,0,0,0,0,0|2,0,0]=2 52 B14R2.1008 CN(C)Cc1cc2NCCc2cc1 Amb25704851 [0,0,0,0,0,0|4,0,0]=4 53 B14R2.1008 CN(C)Cc1ccc2OCOc2c1 Amb21962584 [0,0,0,0,0,0|2,0,0]=2 54 B14R2.1008 CN(N)Cc1ccc2OCOc2c1 Amb18564124 [0,0,0,0,0,0|1,0,0]=1 55 B14R2.1008 CS(=O)Cc1ccc2OCOc2c1 Amb25086228 [0,0,0,0,0,0|2,0,0]=2 56 B14R2.1008 C[C@@H](N)Cc1cc2CCOc2cc1 Amb25192698 [0,0,0,0,0,0|1,0,0]=1 57 B14R2.1008 C[C@@H](N)Cc1cc2cc[nH]c2[n]c1 Amb24712577 [0,0,0,0,0,0|3,0,1]=4 58 B14R2.1008 C[C@@H](O)Cc1cc2CCOc2cc1 Amb22896910 [0,0,0,0,0,0|2,0,0]=2 59 B14R2.1008 C[C@@H](O)Cc1ccc2OCOc2c1 Amb20241606 [0,0,0,0,0,0|1,0,0]=1 60 B14R2.1008 C[C@H](N)Cc1cc2CCCc2cc1 Amb24598799 [0,0,0,0,0,0|2,0,0]=2 61 B14R2.1008 C[C@H](N)Cc1cc2CCOc2cc1 Amb24579494 [0,0,0,0,0,0|1,0,0]=1 62 B14R2.1008 C[C@H](N)Cc1cc2cc[nH]c2[n]c1 Amb25280591 [0,0,0,0,0,0|3,0,1]=4 63 B14R2.1008 C[C@H](O)Cc1ccc2OCOc2c1 Amb24432879 [0,0,0,0,0,0|1,0,0]=1 64 B14R2.1008 FC(Oc1ccc2c(c1)OCO2)F Amb17234483 [0,0,0,0,0,0|3,0,0]=3 65 B14R2.1008 FC(Sc1ccc2c(c1)OCO2)F Amb17237955 [0,0,0,0,0,0|3,0,0]=3 66 B14R2.1008 NC(=N)Cc1cc2CCCc2cc1 Amb25289812 [0,0,0,0,0,0|3,0,1]=4 67 B14R2.1008 NC(=N)Cc1cc2ccoc2cc1 Amb23560653 [0,0,0,0,0,0|2,0,2]=4 68 B14R2.1008 NC(=N)Nc1cc2OCOc2cc1 Amb21961675 [0,0,0,0,0,0|2,0,1]=3 69 B14R2.1008 NC(=O)Cc1cc2CCOc2cc1 Amb24182080 [0,0,0,0,0,0|2,0,1]=3 70 B14R2.1008 NC(=O)Cc1cc2[n]coc2cc1 Amb18243641 [0,0,0,0,0,0|2,0,2]=4 71 B14R2.1008 NC(=O)Cc1cc2oc[n]c2cc1 Amb18243640 [0,0,0,0,0,0|2,0,2]=4 72 B14R2.1008 NC(=O)Cc1ccc2c(c1)OCO2 Amb17400688 [0,0,0,0,0,0|1,0,1]=2 73 B14R2.1008 NC(=O)Nc1cc2CCOc2cc1 Amb25180302 [0,0,0,0,0,0|3,0,1]=4 74 B14R2.1008 NC(=O)Nc1ccc2c(c1)OCO2 Amb1155414 [0,0,0,0,0,0|2,0,1]=3 75 B14R2.1008 NC(=S)Cc1ccc2c(c1)OCO2 Amb17402019 [0,0,0,0,0,0|1,0,1]=2 76 B14R2.1008 NC(=S)Nc1cc2CCOc2cc1 Amb25702536 [0,0,0,0,0,0|3,0,1]=4 77 B14R2.1008 NC(=S)Nc1ccc2c(c1)OCO2 Amb2418873 [0,0,0,0,0,0|2,0,1]=3 78 B14R2.1008 O=C(Cl)Cc1cc2CCOc2cc1 Amb25674657 [0,0,0,0,0,0|3,0,1]=4 79 B14R2.1008 O=C(F)Cc1ccc2OCOc2c1 Amb25266077 [0,0,0,0,0,0|2,0,1]=3 80 B14R2.1008 OC(=O)Cc1cc2OCOc2c[n]1 Amb18193411 [0,0,0,0,0,0|3,0,1]=4 81 B14R2.1008 OC(=O)Cc1ccc2c(c1)CCO2 Amb1106297 [0,0,0,0,0,0|3,0,1]=4 82 B14R2.1008 OC(=O)Cc1ccc2c(c1)OCC2 Amb19134335 [0,0,0,0,0,0|3,0,1]=4 83 B13R2.449 BrCCc1cc2CCCc2cc1 Amb18048755 [1,0,0,0,0,0|3,0,0]=4 84 B13R2.449 BrCCc1cc2OCOc2cc1 Amb18548880 [1,0,0,0,0,0|1,0,0]=2 85 B13R2.449 BrCCc1ccc2c(c1)CCN2 Amb17205149 [1,0,0,0,0,0|3,0,0]=4 86 B13R2.449 C#CCc1ccc2OCOc2c1 Amb25800981 [1,0,0,0,0,0|0,0,2]=3 87 B13R2.449 C/N=C/c1ccc2OCOc2c1 Amb17778532 [1,0,0,0,0,0|1,0,1]=3 88 B13R2.449 C=CCc1cc2OCCc2cc1 Amb24502637 [1,0,0,0,0,0|1,0,2]=4 89 B13R2.449 CCCc1cc2CNCc2cc1 Amb25721916 [1,0,0,0,0,0|3,0,0]=4 90 B13R2.449 CCCc1cc2[n]c[nH]c2cc1 Amb25697029 [1,0,0,0,0,0|2,0,1]=4 91 B13R2.449 CCCc1cc2ccoc2cc1 Amb24071651 [1,0,0,0,0,0|1,0,1]=3 92 B13R2.449 CCCc1ccc2CCNc2c1 Amb24067523 [1,0,0,0,0,0|2,0,0]=3 93 B13R2.449 CCCc1ccc2c(c1)CCN2 Amb1124236 [1,0,0,0,0,0|2,0,0]=3 94 B13R2.449 CCCc1ccc2c(c1)nco2 Amb17570041 [1,0,0,0,0,0|1,0,1]=3 95 B13R2.449 CCOc1cc2CCCc2cc1 Amb25307163 [1,0,0,0,0,0|3,0,0]=4 96 B13R2.449 CCOc1cc2ccoc2cc1 Amb24071273 [1,0,0,0,0,0|2,0,1]=4 97 B13R2.449 CCOc1ccc2CCNc2c1 Amb24067650 [1,0,0,0,0,0|3,0,0]=4 98 B13R2.449 CCOc1ccc2c(c1)CCN2 Amb1108759 [1,0,0,0,0,0|3,0,0]=4 99 B13R2.449 CCSc1cc2CCCc2cc1 Amb25686729 [1,0,0,0,0,0|3,0,0]=4 100 B13R2.449 CCSc1cc2CCNc2cc1 Amb24067631 [1,0,0,0,0,0|3,0,0]=4 101 B13R2.449 CCSc1cc2OCOc2cc1 Amb22263730 [1,0,0,0,0,0|1,0,0]=2 102 B13R2.449 CNCc1cc2CCOc2cc1 Amb24271195 [1,0,0,0,0,0|2,0,0]=3 103 B13R2.449 CNCc1cc2NCCc2cc1 Amb25696714 [1,0,0,0,0,0|3,0,0]=4 104 B13R2.449 CNCc1cc2OCCc2cc1 Amb23586280 [1,0,0,0,0,0|2,0,0]=3 105 B13R2.449 CNCc1cc2OCOc2[n]c1 Amb24557412 [1,0,0,0,0,0|2,0,0]=3 106 B13R2.449 CNCc1cc2[n]coc2cc1 Amb18632807 [1,0,0,0,0,0|2,0,1]=4 107 B13R2.449 CNCc1cc2ccoc2cc1 Amb24089263 [1,0,0,0,0,0|2,0,1]=4 108 B13R2.449 CNCc1cc2oc[n]c2cc1 Amb18114594 [1,0,0,0,0,0|2,0,1]=4 109 B13R2.449 CNCc1cc2occc2cc1 Amb18829936 [1,0,0,0,0,0|2,0,1]=4 110 B13R2.449 CNCc1ccc2NCCc2c1 Amb18951424 [1,0,0,0,0,0|3,0,0]=4 111 B13R2.449 CNCc1ccc2c(c1)OCO2 Amb1106055 [1,0,0,0,0,0|1,0,0]=2 112 B13R2.449 COCc1cc2CCNc2cc1 Amb24419334 [1,0,0,0,0,0|3,0,0]=4 113 B13R2.449 COCc1ccc2OCCc2c1 Amb24401475 [1,0,0,0,0,0|2,0,0]=3 114 B13R2.449 CSCc1cc2CCCc2cc1 Amb24722250 [1,0,0,0,0,0|3,0,0]=4 115 B13R2.449 ClCCc1cc2CCCc2cc1 Amb18049739 [1,0,0,0,0,0|3,0,0]=4 116 B13R2.449 ClCCc1cc2CCOc2cc1 Amb20241524 [1,0,0,0,0,0|2,0,0]=3 117 B13R2.449 ClCCc1cc2ccoc2cc1 Amb22232561 [1,0,0,0,0,0|2,0,1]=4 118 B13R2.449 ClCCc1ccc2CCOc2c1 Amb24507087 [1,0,0,0,0,0|2,0,0]=3 119 B13R2.449 Cl[Mg]Cc1ccc2OCOc2c1 Amb22897330 [1,0,0,0,0,0|2,0,0]=3 120 B13R2.449 Cl[Zn]Cc1ccc2OCOc2c1 Amb22897832 [1,0,0,0,0,0|2,0,0]=3 121 B13R2.449 ICCc1cc2CCOc2cc1 Amb24696501 [1,0,0,0,0,0|2,0,0]=3 122 B13R2.449 I\C=C/c1ccc2c(c1)OCO2 Amb10067503 [1,0,0,0,0,0|1,0,2]=4 123 B13R2.449 N#CCc1cc2OCCc2cc1 Amb21964773 [1,0,0,0,0,0|1,0,2]=4 124 B13R2.449 N#CCc1ccc2c(c1)CCO2 Amb1139487 [1,0,0,0,0,0|1,0,2]=4 125 B13R2.449 N#CCc1ccc2c(c1)OCO2 Amb1161690 [1,0,0,0,0,0|0,0,2]=3 126 B13R2.449 N#CNc1cc2OCOc2cc1 Amb18800606 [1,0,0,0,0,0|1,0,2]=4 127 B13R2.449 NCCc1[n]cc2CCOc2[n]1 Amb18828369 [1,0,0,0,0,0|3,0,0]=4 128 B13R2.449 NCCc1c[n]c2OCOc2c1 Amb25299387 [1,0,0,0,0,0|1,0,0]=2 129 B13R2.449 NCCc1cc2CCCc2[n]c1 Amb24695768 [1,0,0,0,0,0|3,0,0]=4 130 B13R2.449 NCCc1cc2CCOc2c[n]1 Amb25245915 [1,0,0,0,0,0|2,0,0]=3 131 B13R2.449 NCCc1cc2CCSc2cc1 Amb18194205 [1,0,0,0,0,0|1,1,0]=3 132 B13R2.449 NCCc1cc2COCc2cc1 Amb18645908 [1,0,0,0,0,0|3,0,0]=4 133 B13R2.449 NCCc1cc2OCOc2c[n]1 Amb18827783 [1,0,0,0,0,0|1,0,0]=2 134 B13R2.449 NCCc1cc2[nH][n][n]c2cc1 Amb25217809 [1,0,0,0,0,0|3,0,0]=4 135 B13R2.449 NCCc1cc2[nH]c[n]c2cc1 Amb22757534 [1,0,0,0,0,0|2,0,1]=4 136 B13R2.449 NCCc1cc2[n][s][n]c2cc1 Amb25149865 [1,0,0,0,0,0|3,0,0]=4 137 B13R2.449 NCCc1cc2[n]c[s]c2cc1 Amb18893628 [1,0,0,0,0,0|1,1,1]=4 138 B13R2.449 NCCc1cc2[n]coc2cc1 Amb18062283 [1,0,0,0,0,0|1,0,1]=3 139 B13R2.449 NCCc1cc2[n]o[n]c2cc1 Amb24587747 [1,0,0,0,0,0|3,0,0]=4 140 B13R2.449 NCCc1cc2[n]occ2cc1 Amb25191679 [1,0,0,0,0,0|3,0,0]=4 141 B13R2.449 NCCc1cc2[s]c[n]c2cc1 Amb18909066 [1,0,0,0,0,0|1,1,1]=4 142 B13R2.449 NCCc1cc2cc[s]c2cc1 Amb18675394 [1,0,0,0,0,0|1,1,1]=4 143 B13R2.449 NCCc1cc2ccoc2c[n]1 Amb18829699 [1,0,0,0,0,0|2,0,1]=4 144 B13R2.449 NCCc1cc2ccoc2cc1 Amb18141998 [1,0,0,0,0,0|1,0,1]=3 145 B13R2.449 NCCc1cc2oc[n]c2cc1 Amb18829746 [1,0,0,0,0,0|1,0,1]=3 146 B13R2.449 NCCc1cc2occc2cc1 Amb18829960 [1,0,0,0,0,0|1,0,1]=3 147 B13R2.449 NCCc1ccc2CCOc2c1 Amb18829261 [1,0,0,0,0,0|1,0,0]=2 148 B13R2.449 NCCc1ccc2CCSc2c1 Amb18824587 [1,0,0,0,0,0|1,1,0]=3 149 B13R2.449 NCCc1ccc2c(c1)CCC2 Amb17232385 [1,0,0,0,0,0|2,0,0]=3 150 B13R2.449 NCCc1ccc2c(c1)CCN2 Amb17570066 [1,0,0,0,0,0|2,0,0]=3 151 B13R2.449 NCCc1ccc2c(c1)CCO2 Amb1133437 [1,0,0,0,0,0|1,0,0]=2 152 B13R2.449 NCCc1ccc2c(c1)OCO2 Amb1154403 [1,0,0,0,0,0|0,0,0]=1 153 B13R2.449 NCCc1ccc2c(c1)[nH]cc2 Amb2182700 [1,0,0,0,0,0|2,0,1]=4 154 B13R2.449 NCCc1ccc2c(c1)[nH]nc2 Amb10070511 [1,0,0,0,0,0|3,0,0]=4 155 B13R2.449 NCCc1ccc2c(c1)cc[nH]2 Amb2182702 [1,0,0,0,0,0|2,0,1]=4 156 B13R2.449 NCCc1ccc2c(c1)cn[nH]2 Amb10070510 [1,0,0,0,0,0|3,0,0]=4 157 B13R2.449 NCCc1ccc2c(c1)nc[nH]2 Amb17202108 [1,0,0,0,0,0|2,0,1]=4 158 B13R2.449 NNCc1cc2OCCc2cc1 Amb24425583 [1,0,0,0,0,0|2,0,0]=3 159 B13R2.449 NNCc1ccc2c(c1)OCO2 Amb13949118 [1,0,0,0,0,0|1,0,0]=2 160 B13R2.449 NOCc1cc2CCCc2cc1 Amb24559109 [1,0,0,0,0,0|3,0,0]=4 161 B13R2.449 NOCc1cc2oc[n]c2cc1 Amb25128132 [1,0,0,0,0,0|2,0,1]=4 162 B13R2.449 NOCc1ccc2c(c1)OCO2 Amb17091446 [1,0,0,0,0,0|1,0,0]=2 163 B13R2.449 N\N=C\c1cc2CCOc2cc1 Amb25683275 [1,0,0,0,0,0|2,0,1]=4 164 B13R2.449 N\N=C\c1cc2OCOc2c[n]1 Amb25781483 [1,0,0,0,0,0|2,0,1]=4 165 B13R2.449 O=CCc1ccc2c(c1)OCO2 Amb17089538 [1,0,0,0,0,0|1,0,1]=3 166 B13R2.449 O=CNc1cc2OCOc2cc1 Amb22059641 [1,0,0,0,0,0|2,0,1]=4 167 B13R2.449 O=COc1ccc2OCOc2c1 Amb24488547 [1,0,0,0,0,0|2,0,1]=4 168 B13R2.449 OCCc1cc2CCNc2cc1 Amb25071770 [1,0,0,0,0,0|3,0,0]=4 169 B13R2.449 OCCc1cc2CCSc2cc1 Amb24450184 [1,0,0,0,0,0|2,1,0]=4 170 B13R2.449 OCCc1cc2[n]coc2cc1 Amb18893472 [1,0,0,0,0,0|2,0,1]=4 171 B13R2.449 OCCc1cc2ccoc2cc1 Amb22886810 [1,0,0,0,0,0|2,0,1]=4 172 B13R2.449 OCCc1cc2oc[n]c2cc1 Amb18893471 [1,0,0,0,0,0|2,0,1]=4 173 B13R2.449 OCCc1ccc2CCOc2c1 Amb25362526 [1,0,0,0,0,0|2,0,0]=3 174 B13R2.449 OCCc1ccc2c(c1)CCC2 Amb17232413 [1,0,0,0,0,0|3,0,0]=4 175 B13R2.449 OCCc1ccc2c(c1)CCO2 Amb10069335 [1,0,0,0,0,0|2,0,0]=3 176 B13R2.449 ONCc1ccc2OCOc2c1 Amb24346554 [1,0,0,0,0,0|2,0,0]=3 177 B13R2.449 SCCc1ccc2c(c1)CCC2 Amb17470584 [1,0,0,0,0,0|3,0,0]=4 178 B13R2.449 SCCc1ccc2c(c1)OCO2 Amb17400924 [1,0,0,0,0,0|1,0,0]=2 179 B13R2.449 [C-]#[N+]Cc1ccc2c(c1)OCO2 Amb1981064 [1,0,0,0,0,0|1,0,1]=3 180 B13R2.449 [N-]=[N+]=Nc1cc2OCOc2cc1 Amb25686007 [1,0,0,0,0,0|2,0,1]=4 181 B13R2.449 [NH3+]CCc1cc2OCOc2cc1 Amb22461742 [1,0,0,0,0,0|0,0,1]=2 182 B13R2.449 [NH3+]CCc1ccc2c(c1)OCO2 Amb16209004 [1,0,0,0,0,0|0,0,1]=2 183 B15R2.926 CC(=O)Nc1cc2OC(C)Oc2cc1 Amb25035994 [0,1,0,0,0,0|2,0,1]=4 184 B15R2.926 CC(Br)Cc1cc2OC(=O)Nc2cc1 Amb18548902 [0,1,0,0,0,0|2,0,1]=4 185 B15R2.926 CC(C)Cc1cc2NC(=O)Oc2cc1 Amb18547348 [0,1,0,0,0,0|2,0,1]=4 186 B15R2.926 CC(C)Cc1cc2[n]c([SH3])oc2cc1 Amb18547394 [0,1,0,0,0,0|2,0,1]=4 187 B15R2.926 CC(C)Cc1ccc2CC(N)Cc2c1 Amb24395060 [0,1,0,0,0,0|3,0,0]=4 188 B15R2.926 CC(C)Cc1ccc2C[C@H](N)Cc2c1 Amb24678909 [0,1,0,0,0,0|3,0,0]=4 189 B15R2.926 CC(Cc1ccc2c(c1)CC(=O)N2)N Amb17513824 [0,1,0,0,0,0|2,0,1]=4 190 B15R2.926 CC(Cc1ccc2c(c1)nc(o2)C)C Amb17570452 [0,1,0,0,0,0|2,0,1]=4 191 B15R2.926 CC(Cc1ccc2c(c1)nc(o2)N)C Amb17570493 [0,1,0,0,0,0|2,0,1]=4 192 B15R2.926 CC(Cc1ccc2c(c1)nc(o2)S)C Amb17571294 [0,1,0,0,0,0|2,0,1]=4 193 B15R2.926 CC(Cl)Cc1cc2OC(=O)Nc2cc1 Amb18549307 [0,1,0,0,0,0|2,0,1]=4 194 B15R2.926 CC(N)Cc1cc2NC(=O)Nc2cc1 Amb18894088 [0,1,0,0,0,0|2,0,1]=4 195 B15R2.926 CC(N)Cc1cc2NC(=O)Oc2cc1 Amb18894161 [0,1,0,0,0,0|1,0,1]=3 196 B15R2.926 CC(N)Cc1cc2OC(=O)Nc2cc1 Amb18049641 [0,1,0,0,0,0|1,0,1]=3 197 B15R2.926 CC(O)Cc1cc2NC(=O)Oc2cc1 Amb25690377 [0,1,0,0,0,0|2,0,1]=4 198 B15R2.926 Cc1[nH]c2ccc(CC(C)N)cc2[n]1 Amb18105743 [0,1,0,0,0,0|2,0,1]=4 199 B15R2.926 Cc1[n]c2cc(CC(C)N)ccc2[s]1 Amb18895647 [0,1,0,0,0,0|1,1,1]=4 200 B15R2.926 Cc1[n]c2cc(CC(C)N)ccc2o1 Amb18893985 [0,1,0,0,0,0|1,0,1]=3 201 B15R2.926 Cc1[n]c2ccc(CC(C)N)cc2o1 Amb18893977 [0,1,0,0,0,0|1,0,1]=3 202 B15R2.964 CC(=O)Cc1cc2OCOc2cc1C Amb17595026 [0,1,0,0,0,0|1,0,1]=3 203 B15R2.964 CC(=O)Nc1cc2OCOc2cc1Cl Amb25128376 [0,1,0,0,0,0|2,0,1]=4 204 B15R2.964 CC(=O)Nc1cc2OCOc2cc1I Amb22284690 [0,1,0,0,0,0|2,0,1]=4 205 B15R2.964 CC(=O)Nc1cc2OCOc2cc1O Amb25046731 [0,1,0,0,0,0|2,0,1]=4 206 B15R2.964 CC(=O)Oc1cc2OCOc2cc1Br Amb24063787 [0,1,0,0,0,0|2,0,1]=4 207 B15R2.964 CC(C)Oc1cc2OCOc2cc1N Amb23452680 [0,1,0,0,0,0|2,0,0]=3 208 B15R2.964 CC(N)Cc1cc2COCc2cc1Cl Amb25709625 [0,1,0,0,0,0|3,0,0]=4 209 B15R2.964 CC(N)Cc1cc2OCOc2cc1Br Amb17939549 [0,1,0,0,0,0|0,0,0]=1 210 B15R2.964 CC(N)Cc1cc2OCOc2cc1Cl Amb24336273 [0,1,0,0,0,0|0,0,0]=1 211 B15R2.964 CC(N)Cc1cc2OCOc2cc1O Amb25703171 [0,1,0,0,0,0|0,0,0]=1 212 B15R2.964 CC(N)Cc1cc2cc[s]c2cc1F Amb18676641 [0,1,0,0,0,0|1,1,1]=4 213 B15R2.964 CN(C)Cc1cc2OCOc2cc1Br Amb23510461 [0,1,0,0,0,0|2,0,0]=3 214 B15R2.964 CN(C)Cc1cc2OCOc2cc1O Amb24686434 [0,1,0,0,0,0|2,0,0]=3 215 B15R2.964 Cc1cc2NCCc2cc1CC(C)N Amb25663989 [0,1,0,0,0,0|2,0,0]=3 216 B15R2.964 Cc1cc2OCOc2cc1NC(C)C Amb25256299 [0,1,0,0,0,0|2,0,0]=3 217 B15R2.964 Cc1cc2[s]c[n]c2cc1CC(C)N Amb18142432 [0,1,0,0,0,0|1,1,1]=4 218 B15R2.964 Cc1cc2[s]ccc2cc1CC(C)N Amb18141425 [0,1,0,0,0,0|1,1,1]=4 219 B15R2.964 Cc1cc2cc[nH]c2cc1CC(C)N Amb18142190 [0,1,0,0,0,0|2,0,1]=4 220 B15R2.964 Cc1cc2cc[s]c2cc1CC(C)N Amb18142817 [0,1,0,0,0,0|1,1,1]=4 221 B15R2.964 Cc1cc2occc2cc1CC(C)N Amb18675744 [0,1,0,0,0,0|1,0,1]=3 222 B15R2.964 NC(=O)Nc1cc2OCOc2cc1C Amb1089392 [0,1,0,0,0,0|2,0,1]=4 223 B15R2.964 Nc1cc2OCOc2cc1CC(N)=O Amb25299335 [0,1,0,0,0,0|1,0,1]=3 224 B15R2.964 OC(=O)Cc1cc2OCOc2cc1Cl Amb17199921 [0,1,0,0,0,0|2,0,1]=4 225 B15R2.4239 CC(=C)C(=O)c1cc2OCOc2cc1 Amb18066252 [0,1,0,0,0,0|1,0,2]=4 226 B15R2.4239 CC(=C)C(N)c1cc2CCOc2cc1 Amb25786086 [0,1,0,0,0,0|2,0,1]=4 227 B15R2.4239 CC(=C)C(O)c1cc2OCOc2cc1 Amb25798644 [0,1,0,0,0,0|1,0,1]=3 228 B15R2.4239 CC(=O)C(=O)c1cc2OCOc2cc1 Amb18565047 [0,1,0,0,0,0|1,0,2]=4 229 B15R2.4239 CC(=O)C(O)c1cc2OCOc2cc1 Amb25097684 [0,1,0,0,0,0|1,0,1]=3 230 B15R2.4239 CC(C(=O)c1ccc2c(c1)CCC2)N Amb17194597 [0,1,0,0,0,0|2,0,1]=4 231 B15R2.4239 CC(C(=O)c1ccc2c(c1)OCO2)Br Amb17437785 [0,1,0,0,0,0|1,0,1]=3 232 B15R2.4239 CC(C(=O)c1ccc2c(c1)OCO2)C Amb17194653 [0,1,0,0,0,0|1,0,1]=3 233 B15R2.4239 CC(C(=O)c1ccc2c(c1)OCO2)Cl Amb17109174 [0,1,0,0,0,0|1,0,1]=3 234 B15R2.4239 CC(C(=O)c1ccc2c(c1)OCO2)N Amb17194690 [0,1,0,0,0,0|0,0,1]=2 235 B15R2.4239 CC(C(=O)c1ccc2c(c1)OCO2)N Amb17611769 [0,1,0,0,0,0|0,0,1]=2 236 B15R2.4239 CC(C(C)Br)c1ccc2CCOc2c1 Amb25774558 [0,1,0,0,0,0|2,0,0]=3 237 B15R2.4239 CC(C(C)N)c1cc2CCCc2cc1 Amb25359293 [0,1,0,0,0,0|2,0,0]=3 238 B15R2.4239 CC(C(C)N)c1cc2CCOc2cc1 Amb24463136 [0,1,0,0,0,0|1,0,0]=2 239 B15R2.4239 CC(C(C)N)c1ccc2CCOc2c1 Amb18818155 [0,1,0,0,0,0|1,0,0]=2 240 B15R2.4239 CC(C(c1ccc2c(c1)CCC2)O)C Amb17194613 [0,1,0,0,0,0|3,0,0]=4 241 B15R2.4239 CC(C(c1ccc2c(c1)OCO2)N)C Amb17194693 [0,1,0,0,0,0|1,0,0]=2 242 B15R2.4239 CC(C(c1ccc2c(c1)OCO2)N)O Amb17236162 [0,1,0,0,0,0|1,0,0]=2 243 B15R2.4239 CC(C(c1ccc2c(c1)OCO2)O)C Amb17194718 [0,1,0,0,0,0|1,0,0]=2 244 B15R2.4239 CC(C)C(Br)c1ccc2CCCc2c1 Amb25846480 [0,1,0,0,0,0|3,0,0]=4 245 B15R2.4239 CC(C)C(Br)c1ccc2OCCc2c1 Amb25333806 [0,1,0,0,0,0|2,0,0]=3 246 B15R2.4239 CC(C)C(Cl)c1ccc2CCOc2c1 Amb24400750 [0,1,0,0,0,0|2,0,0]=3 247 B15R2.4239 CC(C)C(O)c1ccc2CCOc2c1 Amb25060816 [0,1,0,0,0,0|2,0,0]=3 248 B15R2.4239 CC(C)C(O)c1ccc2OCCc2c1 Amb19050582 [0,1,0,0,0,0|2,0,0]=3 249 B15R2.4239 CC(C)[C@@H](N)c1ccc2NCCc2c1 Amb25749731 [0,1,0,0,0,0|3,0,0]=4 250 B15R2.4239 CC(C)[C@@H](N)c1ccc2ccoc2c1 Amb24499315 [0,1,0,0,0,0|2,0,1]=4 251 B15R2.4239 CC(C)[C@@H](N)c1ccc2occc2c1 Amb25694404 [0,1,0,0,0,0|2,0,1]=4 252 B15R2.4239 CC(C)[C@@H](O)c1ccc2OCOc2c1 Amb25716052 [0,1,0,0,0,0|1,0,0]=2 253 B15R2.4239 CC(C)[C@H](N)c1ccc2CCCc2c1 Amb25104813 [0,1,0,0,0,0|3,0,0]=4 254 B15R2.4239 CC(C)[C@H](N)c1ccc2CCOc2c1 Amb25794102 [0,1,0,0,0,0|2,0,0]=3 255 B15R2.4239 CC(C)[C@H](N)c1ccc2NCCc2c1 Amb24499293 [0,1,0,0,0,0|3,0,0]=4 256 B15R2.4239 CC(C)[C@H](N)c1ccc2OCCc2c1 Amb25087247 [0,1,0,0,0,0|2,0,0]=3 257 B15R2.4239 CC(C)[C@H](N)c1ccc2occc2c1 Amb25809436 [0,1,0,0,0,0|2,0,1]=4 258 B15R2.4239 CC(Cl)C(O)c1ccc2OCOc2c1 Amb25759087 [0,1,0,0,0,0|1,0,0]=2 259 B15R2.4239 CC(N)C(=O)c1cc2CCOc2cc1 Amb18141376 [0,1,0,0,0,0|1,0,1]=3 260 B15R2.4239 CC(N)C(N)c1cc2OCOc2cc1 Amb25109233 [0,1,0,0,0,0|0,0,0]=1 261 B15R2.4239 CC(N)C(O)c1ccc2CCCc2c1 Amb18564947 [0,1,0,0,0,0|2,0,0]=3 262 B15R2.4239 CC(N)C(O)c1ccc2[nH]ccc2c1 Amb18676634 [0,1,0,0,0,0|2,0,1]=4 263 B15R2.4239 CC(N)C(O)c1ccc2occc2c1 Amb18675410 [0,1,0,0,0,0|1,0,1]=3 264 B15R2.4239 CC(N)[C@H](O)c1ccc2OCOc2c1 Amb25118836 [0,1,0,0,0,0|0,0,0]=1 265 B15R2.4239 CC(O)C(=O)c1cc2OCOc2cc1 Amb24423475 [0,1,0,0,0,0|1,0,1]=3 266 B15R2.4239 CC(O)C(N)c1ccc2CCCc2c1 Amb18818146 [0,1,0,0,0,0|3,0,0]=4 267 B15R2.4239 CC(O)C(N)c1ccc2NCCc2c1 Amb25814444 [0,1,0,0,0,0|3,0,0]=4 268 B15R2.4239 CC(O)C(O)c1cc2CCOc2cc1 Amb25701427 [0,1,0,0,0,0|2,0,0]=3 269 B15R2.4239 CC(O)C(O)c1cc2ccoc2cc1 Amb25845367 [0,1,0,0,0,0|2,0,1]=4 270 B15R2.4239 CC(O)[C@@H](N)c1ccc2CCOc2c1 Amb25353696 [0,1,0,0,0,0|2,0,0]=3 271 B15R2.4239 CC(O)[C@@H](N)c1ccc2OCCc2c1 Amb25235943 [0,1,0,0,0,0|2,0,0]=3 272 B15R2.4239 CC(O)[C@@H](N)c1ccc2occc2c1 Amb24730834 [0,1,0,0,0,0|2,0,1]=4 273 B15R2.4239 CC(O)[C@H](N)c1ccc2OCOc2c1 Amb24526849 [0,1,0,0,0,0|1,0,0]=2 274 B15R2.4239 CN(C(=S)c1ccc2c(c1)OCO2)C Amb1810570 [0,1,0,0,0,0|2,0,1]=4 275 B15R2.4239 C[C@@H](N)[C@@H](O)c1ccc2OCOc2c1 Amb25238356 [0,1,0,0,0,0|0,0,0]=1 276 B15R2.4239 C[C@@H](O)[C@H](N)c1ccc2CCCc2c1 Amb24619277 [0,1,0,0,0,0|3,0,0]=4 277 B15R2.4239 C[C@@H](O)[C@H](N)c1ccc2NCCc2c1 Amb25174841 [0,1,0,0,0,0|3,0,0]=4 278 B15R2.4239 C[C@H](C(O)=O)c1cc2OCOc2cc1 Amb25299465 [0,1,0,0,0,0|2,0,1]=4 279 B15R2.4239 C[C@H](N)[C@@H](N)c1cc2CCOc2cc1 Amb24550245 [0,1,0,0,0,0|1,0,0]=2 280 B15R2.4239 C[C@H](N)[C@@H](N)c1cc2[nH]ccc2cc1 Amb25377920 [0,1,0,0,0,0|2,0,1]=4 281 B15R2.4239 C[C@H](N)[C@@H](N)c1cc2cc[nH]c2cc1 Amb24628754 [0,1,0,0,0,0|2,0,1]=4 282 B15R2.4239 C[C@H](N)[C@@H](O)c1ccc2[nH]ccc2c1 Amb25249218 [0,1,0,0,0,0|2,0,1]=4 283 B15R2.4239 C[C@H](O)C(=O)c1cc2OCOc2cc1 Amb25855758 [0,1,0,0,0,0|1,0,1]=3 284 B15R2.4239 C[C@H](O)[C@@H](N)c1ccc2OCOc2c1 Amb24616442 [0,1,0,0,0,0|1,0,0]=2 285 B15R2.4239 C[C@H](O)[C@H](N)c1ccc2CCOc2c1 Amb24644023 [0,1,0,0,0,0|2,0,0]=3 286 B15R2.4239 C[C@H](O)[C@H](N)c1ccc2OCOc2c1 Amb24514789 [0,1,0,0,0,0|1,0,0]=2 287 B15R2.4239 C[C@H](O)[C@H](O)c1cc2ccoc2cc1 Amb24337483 [0,1,0,0,0,0|2,0,1]=4 288 B15R2.4239 NC(=O)C(N)c1cc2CCOc2cc1 Amb18283255 [0,1,0,0,0,0|2,0,1]=4 289 B15R2.4239 NC(=O)C(O)c1cc2CCOc2cc1 Amb19079247 [0,1,0,0,0,0|2,0,1]=4 290 B15R2.4239 NC(=O)C(O)c1cc2OCOc2cc1 Amb19080546 [0,1,0,0,0,0|1,0,1]=3 291 B15R2.4239 NC(=O)C(c1ccc2c(c1)OCO2)Cl Amb10070085 [0,1,0,0,0,0|1,0,1]=3 292 B15R2.4239 NC(=O)C(c1ccc2c(c1)OCO2)N Amb17336783 [0,1,0,0,0,0|1,0,1]=3 293 B15R2.4239 NC(=O)[C@H](N)c1cc2OCOc2cc1 Amb24436432 [0,1,0,0,0,0|1,0,1]=3 294 B15R2.4239 N[C@@H](C(F)F)c1ccc2OCOc2c1 Amb24659469 [0,1,0,0,0,0|2,0,0]=3 295 B15R2.4239 N[C@@H](C(O)=O)c1cc2OCOc2cc1 Amb25670919 [0,1,0,0,0,0|2,0,1]=4 296 B15R2.4239 N[C@H](C(O)=O)c1cc2OCOc2cc1 Amb24460237 [0,1,0,0,0,0|2,0,1]=4 297 B15R2.4239 O=C(C(Cl)Cl)c1cc2OCOc2cc1 Amb24517141 [0,1,0,0,0,0|2,0,1]=4 298 B15R2.4239 OC(=O)C(c1ccc2c(c1)OCO2)C Amb17194716 [0,1,0,0,0,0|2,0,1]=4 299 B15R2.4239 OC(=O)C(c1ccc2c(c1)OCO2)Cl Amb17241776 [0,1,0,0,0,0|2,0,1]=4 300 B15R2.4239 OC(=O)C(c1ccc2c(c1)OCO2)N Amb1842027 [0,1,0,0,0,0|2,0,1]=4 301 B15R2.4239 OC(=O)[C@@H](O)c1cc2OCOc2cc1 Amb25138724 [0,1,0,0,0,0|2,0,1]=4 302 B15R2.4239 OC(=O)[C@H](O)c1cc2OCOc2cc1 Amb25109190 [0,1,0,0,0,0|2,0,1]=4 303 B15R2.4239 OC(C(F)F)c1ccc2OCCc2c1 Amb25040066 [0,1,0,0,0,0|3,0,0]=4 304 B15R2.4239 OC(C(F)F)c1ccc2OCOc2c1 Amb25287701 [0,1,0,0,0,0|2,0,0]=3 305 B15R2.4239 OC(O)C(=O)c1cc2OCOc2cc1 Amb22275905 [0,1,0,0,0,0|2,0,1]=4 306 B15R2.4343 BrCC(=O)Nc1ccc2c(c1)OCO2 Amb17329730 [0,1,0,0,0,0|2,0,1]=4 307 B15R2.4343 BrCC(Oc1ccc2c(c1)OCO2)C Amb17266778 [0,1,0,0,0,0|2,0,0]=3 308 B15R2.4343 CC(C#C)Nc1cc2CCOc2cc1 Amb24583344 [0,1,0,0,0,0|3,0,0]=4 309 B15R2.4343 CC(C#C)Nc1cc2OCOc2cc1 Amb25794819 [0,1,0,0,0,0|2,0,0]=3 310 B15R2.4343 CC(C=C)Nc1cc2CCOc2cc1 Amb24737133 [0,1,0,0,0,0|3,0,0]=4 311 B15R2.4343 CC(C=C)Nc1cc2OCOc2cc1 Amb25736750 [0,1,0,0,0,0|2,0,0]=3 312 B15R2.4343 CC(CBr)Cc1cc2CCCc2cc1 Amb24458227 [0,1,0,0,0,0|3,0,0]=4 313 B15R2.4343 CC(CBr)Cc1cc2CCOc2cc1 Amb25776463 [0,1,0,0,0,0|2,0,0]=3 314 B15R2.4343 CC(CN)Cc1cc2CCCc2cc1 Amb24521193 [0,1,0,0,0,0|2,0,0]=3 315 B15R2.4343 CC(CN)Nc1cc2CCCc2cc1 Amb18910055 [0,1,0,0,0,0|3,0,0]=4 316 B15R2.4343 CC(CN)Nc1cc2CCOc2cc1 Amb25066698 [0,1,0,0,0,0|2,0,0]=3 317 B15R2.4343 CC(CN)Nc1cc2OCOc2cc1 Amb18910589 [0,1,0,0,0,0|1,0,0]=2 318 B15R2.4343 CC(CN)Oc1cc2occc2cc1 Amb25246849 [0,1,0,0,0,0|2,0,1]=4 319 B15R2.4343 CC(CO)Cc1cc2CCCc2cc1 Amb25300143 [0,1,0,0,0,0|3,0,0]=4 320 B15R2.4343 CC(CO)Cc1cc2CCOc2cc1 Amb24438888 [0,1,0,0,0,0|2,0,0]=3 321 B15R2.4343 CC(CO)Cc1cc2OCCc2cc1 Amb24636346 [0,1,0,0,0,0|2,0,0]=3 322 B15R2.4343 CC(CO)Cc1ccc2OCOc2c1 Amb24457784 [0,1,0,0,0,0|1,0,0]=2 323 B15R2.4343 CC(CO)Nc1cc2OCOc2cc1 Amb24433680 [0,1,0,0,0,0|2,0,0]=3 324 B15R2.4343 CC(Cc1cc2CCOc2cc1)C=O Amb25740868 [0,1,0,0,0,0|2,0,0]=3 325 B15R2.4343 CC(Cc1cc2OCCc2cc1)C=O Amb25774562 [0,1,0,0,0,0|2,0,0]=3 326 B15R2.4343 CC(Cc1ccc2OCOc2c1)NN Amb22446431 [0,1,0,0,0,0|0,0,0]=1 327 B15R2.4343 CC(Cc1ccc2OCOc2c1)NN Amb25076707 [0,1,0,0,0,0|0,0,0]=1 328 B15R2.4343 CC(Cc1ccc2OCOc2c1)NO Amb17939603 [0,1,0,0,0,0|0,0,0]=1 329 B15R2.4343 CCC(=O)Nc1ccc2c(c1)OCO2 Amb1234348 [0,1,0,0,0,0|2,0,1]=4 330 B15R2.4343 CCC(Br)Cc1cc2CCCc2cc1 Amb18548952 [0,1,0,0,0,0|3,0,0]=4 331 B15R2.4343 CCC(Br)Cc1ccc2OCOc2c1 Amb18548949 [0,1,0,0,0,0|1,0,0]=2 332 B15R2.4343 CCC(Cc1ccc2c(c1)OCO2)N Amb17608800 [0,1,0,0,0,0|0,0,0]=1 333 B15R2.4343 CCC(Cc1ccc2c(c1)OCO2)O Amb17595098 [0,1,0,0,0,0|1,0,0]=2 334 B15R2.4343 CCC(N)Cc1cc2CCCc2cc1 Amb18549107 [0,1,0,0,0,0|2,0,0]=3 335 B15R2.4343 CCC(N)Cc1cc2[nH]ccc2cc1 Amb24068184 [0,1,0,0,0,0|2,0,1]=4 336 B15R2.4343 CCC(N)Cc1cc2[n]o[n]c2cc1 Amb25814630 [0,1,0,0,0,0|3,0,0]=4 337 B15R2.4343 CCC(N)Cc1cc2c[n][nH]c2cc1 Amb24618403 [0,1,0,0,0,0|3,0,0]=4 338 B15R2.4343 CCC(N)Cc1cc2cc[nH]c2cc1 Amb18675422 [0,1,0,0,0,0|2,0,1]=4 339 B15R2.4343 CCC(N)Cc1cc2ccoc2cc1 Amb18676619 [0,1,0,0,0,0|1,0,1]=3 340 B15R2.4343 CN(Cc1ccc2OCOc2c1)C=O Amb25193549 [0,1,0,0,0,0|2,0,0]=3 341 B15R2.4343 CNC(=N)Nc1ccc2OCOc2c1 Amb19061675 [0,1,0,0,0,0|1,0,2]=4 342 B15R2.4343 CNC(=O)Nc1ccc2OCOc2c1 Amb24720551 [0,1,0,0,0,0|2,0,1]=4 343 B15R2.4343 CNC(=O)Oc1ccc2OCOc2c1 Amb22446580 [0,1,0,0,0,0|2,0,1]=4 344 B15R2.4343 CNC(C)Cc1cc2CCCc2cc1 Amb18552934 [0,1,0,0,0,0|2,0,0]=3 345 B15R2.4343 CNC(C)Cc1cc2CCNc2cc1 Amb18550249 [0,1,0,0,0,0|2,0,0]=3 346 B15R2.4343 CNC(C)Cc1cc2COCc2cc1 Amb25064675 [0,1,0,0,0,0|3,0,0]=4 347 B15R2.4343 CNC(Cc1ccc2c(c1)OCO2)C Amb17617396 [0,1,0,0,0,0|0,0,0]=1 348 B15R2.4343 CNC(O)Cc1ccc2OCOc2c1 Amb25223086 [0,1,0,0,0,0|1,0,0]=2 349 B15R2.4343 COC(=N)Cc1ccc2OCOc2c1 Amb18565196 [0,1,0,0,0,0|0,0,2]=3 350 B15R2.4343 COC(=O)Cc1cc2OCCc2cc1 Amb24576372 [0,1,0,0,0,0|2,0,1]=4 351 B15R2.4343 COC(=O)Cc1ccc2c(c1)CCO2 Amb17612895 [0,1,0,0,0,0|2,0,1]=4 352 B15R2.4343 COC(C)Cc1ccc2NCNc2c1 Amb22496558 [0,1,0,0,0,0|3,0,0]=4 353 B15R2.4343 C[C@@H](Cc1ccc2OCOc2c1)C=O Amb24756705 [0,1,0,0,0,0|1,0,0]=2 354 B15R2.4343 C[C@@H](Cc1ccc2OCOc2c1)NC Amb22349963 [0,1,0,0,0,0|0,0,0]=1 355 B15R2.4343 C[C@@H](Cc1ccc2OCOc2c1)NC Amb25111987 [0,1,0,0,0,0|0,0,0]=1 356 B15R2.4343 C[C@H](CO)Cc1cc2[n]coc2cc1 Amb25343904 [0,1,0,0,0,0|2,0,1]=4 357 B15R2.4343 C[C@H](CO)Cc1ccc2OCOc2c1 Amb25080159 [0,1,0,0,0,0|1,0,0]=2 358 B15R2.4343 C[C@H](Cc1ccc2OCOc2c1)NC Amb25724993 [0,1,0,0,0,0|0,0,0]=1 359 B15R2.4343 C\C(\CN)=C\c1cc2CCOc2cc1 Amb25697705 [0,1,0,0,0,0|1,0,2]=4 360 B15R2.4343 C\C(\Cc1ccc2OCOc2c1)=N/O Amb25367295 [0,1,0,0,0,0|0,0,2]=3 361 B15R2.4343 ClCC(=O)Nc1ccc2c(c1)OCO2 Amb1640389 [0,1,0,0,0,0|2,0,1]=4 362 B15R2.4343 ClCC(Oc1ccc2c(c1)OCO2)C Amb17241790 [0,1,0,0,0,0|2,0,0]=3 363 B15R2.4343 N#CC(Nc1ccc2c(c1)OCO2)C Amb17401395 [0,1,0,0,0,0|1,0,1]=3 364 B15R2.4343 NC(CO)Cc1cc2CCCc2cc1 Amb18818165 [0,1,0,0,0,0|2,0,0]=3 365 B15R2.4343 NC(CO)Cc1cc2[n]o[n]c2cc1 Amb25302295 [0,1,0,0,0,0|3,0,0]=4 366 B15R2.4343 NC(CO)Cc1cc2cc[nH]c2cc1 Amb25322521 [0,1,0,0,0,0|2,0,1]=4 367 B15R2.4343 NC(CO)Cc1cc2ccoc2cc1 Amb24542674 [0,1,0,0,0,0|1,0,1]=3 368 B15R2.4343 NC(Nc1cc2OCOc2cc1)=NO Amb19080553 [0,1,0,0,0,0|2,0,1]=4 369 B15R2.4343 NCC(=O)Cc1ccc2OCOc2c1 Amb18910396 [0,1,0,0,0,0|1,0,1]=3 370 B15R2.4343 NCC(=O)Nc1cc2OCOc2cc1 Amb18527883 [0,1,0,0,0,0|2,0,1]=4 371 B15R2.4343 NCC(=O)Oc1ccc2c(c1)OCO2 Amb17336915 [0,1,0,0,0,0|2,0,1]=4 372 B15R2.4343 NCC(Cc1ccc2c(c1)OCO2)O Amb17236163 [0,1,0,0,0,0|1,0,0]=2 373 B15R2.4343 NCC(N)Cc1ccc2OCOc2c1 Amb25361991 [0,1,0,0,0,0|0,0,0]=1 374 B15R2.4343 NCC(O)Cc1cc2CCCc2cc1 Amb18818163 [0,1,0,0,0,0|3,0,0]=4 375 B15R2.4343 NNC(=N)Cc1ccc2c(c1)OCO2 Amb10576601 [0,1,0,0,0,0|1,0,1]=3 376 B15R2.4343 NNC(=O)Cc1cc2CCOc2cc1 Amb24391014 [0,1,0,0,0,0|2,0,1]=4 377 B15R2.4343 NNC(=O)Cc1ccc2c(c1)OCO2 Amb1099153 [0,1,0,0,0,0|1,0,1]=3 378 B15R2.4343 N[C@H](CO)Cc1ccc2OCOc2c1 Amb25672567 [0,1,0,0,0,0|0,0,0]=1 379 B15R2.4343 O=C(CCl)Cc1cc2CCOc2cc1 Amb25118796 [0,1,0,0,0,0|2,0,1]=4 380 B15R2.4343 O=C(CI)Nc1cc2OCOc2cc1 Amb25778347 [0,1,0,0,0,0|2,0,1]=4 381 B15R2.4343 OC(CCl)Cc1cc2CCCc2cc1 Amb25192752 [0,1,0,0,0,0|3,0,0]=4 382 B15R2.4343 OC(CCl)Cc1cc2OCCc2cc1 Amb24353527 [0,1,0,0,0,0|2,0,0]=3 383 B15R2.4343 OCC(=O)Cc1cc2CCOc2cc1 Amb25106897 [0,1,0,0,0,0|2,0,1]=4 384 B15R2.4343 OCC(=O)Cc1ccc2OCOc2c1 Amb18565449 [0,1,0,0,0,0|1,0,1]=3 385 B15R2.4343 OCC(Cc1ccc2c(c1)OCO2)N Amb17062704 [0,1,0,0,0,0|0,0,0]=1 386 B15R2.4343 OCC(Cl)Cc1ccc2OCOc2c1 Amb25857440 [0,1,0,0,0,0|1,0,0]=2 387 B15R2.4343 OCC(O)Cc1cc2CCCc2cc1 Amb24749583 [0,1,0,0,0,0|3,0,0]=4 388 B15R2.4343 OCC(Oc1ccc2c(c1)OCO2)C Amb17236358 [0,1,0,0,0,0|2,0,0]=3 389 B15R2.4343 ONC(=N)Cc1ccc2c(c1)OCO2 Amb10576600 [0,1,0,0,0,0|1,0,1]=3 390 B15R2.4343 O[C@@H](CCl)Cc1cc2CCOc2cc1 Amb25141517 [0,1,0,0,0,0|2,0,0]=3 391 B15R2.9245 CC(C)Cc1cc2OCC(N)c2cc1 Amb25352443 [0,1,0,0,0,0|2,0,0]=3 392 B15R2.9245 CC(C)Cc1cc2OC[C@@H](N)c2cc1 Amb25235321 [0,1,0,0,0,0|2,0,0]=3 393 B15R2.9245 CC(C)Cc1ccc2C(N)CCc2c1 Amb24757831 [0,1,0,0,0,0|3,0,0]=4 394 B15R2.9245 CC(C)Cc1ccc2[C@@H](N)CCc2c1 Amb25671994 [0,1,0,0,0,0|3,0,0]=4 395 B15R2.9245 CC(N)Cc1cc2CCN(C)c2cc1 Amb19078388 [0,1,0,0,0,0|2,0,0]=3 396 B15R2.9245 CC(N)Cc1cc2[n][n][n](C)c2cc1 Amb25699425 [0,1,0,0,0,0|3,0,0]=4 397 B15R2.9245 CC(N)Cc1cc2[n]c[n](C)c2cc1 Amb18549086 [0,1,0,0,0,0|2,0,1]=4 398 B15R2.9245 CC(N)Cc1cc2cc[n](C)c2cc1 Amb18141354 [0,1,0,0,0,0|2,0,1]=4 399 B15R2.9245 C[n]1[n]cc2cc(CC(C)N)ccc12 Amb25249434 [0,1,0,0,0,0|3,0,0]=4 400 B15R2.14950 CC(Cc1cc(Br)c2c(c1)nco2)C Amb17573661 [0,1,0,0,0,0|2,0,1]=4 401 B15R2.14950 CC(Cc1cc(N)c2c(c1)nco2)C Amb17570471 [0,1,0,0,0,0|2,0,1]=4 402 B15R2.14950 CC(N)Cc1cc2OCOc2c(O)c1 Amb25378695 [0,1,0,0,0,0|0,0,0]=1 403 B15R2.14950 Cc1cc(CC(C)N)cc2[nH]ccc12 Amb24535309 [0,1,0,0,0,0|2,0,1]=4 404 B15R2.14950 OC(=O)Cc1cc2OCOc2c(Br)c1 Amb25664642 [0,1,0,0,0,0|2,0,1]=4 405 B15R2.14950 OC(=O)Cc1cc2OCOc2c(F)c1 Amb24359077 [0,1,0,0,0,0|2,0,1]=4 406 B15R2.42998 CC(C)(Br)Cc1cc2CCCc2cc1 Amb18549059 [0,1,0,0,0,0|3,0,0]=4 407 B15R2.42998 CC(C)(Br)Cc1ccc2OCOc2c1 Amb18549056 [0,1,0,0,0,0|1,0,0]=2 408 B15R2.42998 CC(C)(C)Nc1cc2CCOc2cc1 Amb25664974 [0,1,0,0,0,0|3,0,0]=4 409 B15R2.42998 CC(C)(C)Nc1cc2OCOc2cc1 Amb18932582 [0,1,0,0,0,0|2,0,0]=3 410 B15R2.42998 CC(C)(N)Cc1cc2CCNc2cc1 Amb25663988 [0,1,0,0,0,0|2,0,0]=3 411 B15R2.42998 CC(C)(N)Cc1cc2CCOc2cc1 Amb18141370 [0,1,0,0,0,0|1,0,0]=2 412 B15R2.42998 CC(C)(N)Cc1cc2[n]c[nH]c2cc1 Amb18893937 [0,1,0,0,0,0|2,0,1]=4 413 B15R2.42998 CC(C)(N)Cc1cc2[s]c[n]c2cc1 Amb24505886 [0,1,0,0,0,0|1,1,1]=4 414 B15R2.42998 CC(C)(N)Cc1cc2cc[nH]c2cc1 Amb18675417 [0,1,0,0,0,0|2,0,1]=4 415 B15R2.42998 CC(C)(N)Cc1cc2cc[s]c2cc1 Amb18675392 [0,1,0,0,0,0|1,1,1]=4 416 B15R2.42998 CC(C)(N)Cc1cc2ccoc2cc1 Amb18142752 [0,1,0,0,0,0|1,0,1]=3 417 B15R2.42998 CC(Cc1ccc2c(c1)CCC2)(N)C Amb17401360 [0,1,0,0,0,0|2,0,0]=3 418 B15R2.42998 CC(Cc1ccc2c(c1)CCC2)(O)C Amb17401460 [0,1,0,0,0,0|3,0,0]=4 419 B15R2.42998 CC(Cc1ccc2c(c1)OCO2)(Cl)C Amb17102049 [0,1,0,0,0,0|1,0,0]=2 420 B15R2.42998 CC(Cc1ccc2c(c1)OCO2)(O)C Amb17102031 [0,1,0,0,0,0|1,0,0]=2 421 B15R2.42998 NS(=O)(=O)Nc1cc2OCOc2cc1 Amb24337220 [0,1,0,0,0,0|3,0,0]=4 422 B15R2.42998 O=S(=O)(Cl)Cc1ccc2OCOc2c1 Amb25680095 [0,1,0,0,0,0|3,0,0]=4 423 B15R2.43323 CC(N)Cc1ccc2NCCc2c1Cl Amb25142032 [0,1,0,0,0,0|2,0,0]=3 424 B15R2.43323 CC(N)Cc1ccc2[nH]ccc2c1O Amb24067453 [0,1,0,0,0,0|2,0,1]=4 425 B15R2.43323 CC(N)Cc1ccc2[s]ccc2c1F Amb18676649 [0,1,0,0,0,0|1,1,1]=4 426 B15R2.43323 Cc1c2CCNc2ccc1CC(C)N Amb24696631 [0,1,0,0,0,0|2,0,0]=3 427 B15R2.43323 Cc1c2[nH]ccc2ccc1CC(C)N Amb18676141 [0,1,0,0,0,0|2,0,1]=4 428 B15R2.43323 Cc1c2[n]c[s]c2ccc1CC(C)N Amb18142437 [0,1,0,0,0,0|1,1,1]=4 429 B15R2.43323 Cc1c2[s]ccc2ccc1CC(C)N Amb18142954 [0,1,0,0,0,0|1,1,1]=4 430 B15R2.43323 OC(=O)Cc1ccc2OCOc2c1Cl Amb25857398 [0,1,0,0,0,0|2,0,1]=4 431 B15R2.49965 CC(C)Cc1ccc2CCC(N)c2c1 Amb24730365 [0,1,0,0,0,0|3,0,0]=4 432 B15R2.49965 CC(C)Cc1ccc2CCC(O)c2c1 Amb25825772 [0,1,0,0,0,0|3,0,0]=4 433 B15R2.49965 CC(C)Cc1ccc2CC[C@@H](N)c2c1 Amb25061925 [0,1,0,0,0,0|3,0,0]=4 434 B15R2.49965 CC(C)Oc1ccc2OCC(N)c2c1 Amb25063720 [0,1,0,0,0,0|3,0,0]=4 435 B15R2.49965 CC(C)Oc1ccc2OC[C@@H](N)c2c1 Amb24714737 [0,1,0,0,0,0|3,0,0]=4 436 B15R2.49965 CC(C)Oc1ccc2OC[C@H](N)c2c1 Amb24344824 [0,1,0,0,0,0|3,0,0]=4 437 B15R2.49965 CC(N)Cc1cc2c(cc1)[n]c[n]2C Amb25042758 [0,1,0,0,0,0|2,0,1]=4 438 B15R2.49965 Cc1c[nH]c2ccc(CC(C)N)cc12 Amb24393272 [0,1,0,0,0,0|2,0,1]=4 439 B15R2.49965 Cc1coc2ccc(CC(C)N)cc12 Amb18141336 [0,1,0,0,0,0|1,0,1]=3 440 B13R1.35 CC(=O)Cc1ccc(CC)c(O)c1 Amb24628198 [0,0,1,0,0,0|2,0,1]=4 441 B13R1.35 CC(N)Cc1cc(F)c(CO)cc1 Amb24341342 [0,0,1,0,0,0|3,0,0]=4 442 B13R1.35 CC(N)Cc1cc(N)c(cc1)C#N Amb25034221 [0,0,1,0,0,0|3,0,0]=4 443 B13R1.35 CC(N)Cc1ccc(C#N)c(Br)c1 Amb25190474 [0,0,1,0,0,0|3,0,0]=4 444 B13R1.35 CC(N)Cc1ccc(C#N)c(Cl)c1 Amb24399226 [0,0,1,0,0,0|3,0,0]=4 445 B13R1.35 CC(N)Cc1ccc(C#N)c(F)c1 Amb25125261 [0,0,1,0,0,0|3,0,0]=4 446 B13R1.35 CCc1ccc(cc1N)CC(C)C Amb17138829 [0,0,1,0,0,0|3,0,0]=4 447 B13R1.35 CN(C)Cc1ccc(OC)c(Br)c1 Amb19649534 [0,0,1,0,0,0|3,0,0]=4 448 B13R1.35 CN(C)Cc1ccc(OC)c(O)c1 Amb18128894 [0,0,1,0,0,0|2,0,0]=3 449 B13R1.35 CN(N)Cc1ccc(OC)c(Cl)c1 Amb18066547 [0,0,1,0,0,0|2,0,0]=3 450 B13R1.35 CN(N)Cc1ccc(OC)c(F)c1 Amb18564282 [0,0,1,0,0,0|2,0,0]=3 451 B13R1.35 COC1=CN=C(CC(C)N)NC1=O Amb25329164 [0,0,1,0,0,0|2,0,1]=4 452 B13R1.35 COc1ccc(CC(=O)Cl)cc1O Amb25347539 [0,0,1,0,0,0|2,0,1]=4 453 B13R1.35 COc1ccc(CC(C)Cl)cc1F Amb25853082 [0,0,1,0,0,0|2,0,0]=3 454 B13R1.35 COc1ccc(CC(C)N)[n]c1Br Amb24652953 [0,0,1,0,0,0|2,0,0]=3 455 B13R1.35 COc1ccc(CC(C)N)cc1Cl Amb19086089 [0,0,1,0,0,0|1,0,0]=2 456 B13R1.35 COc1ccc(CC(C)N)cc1F Amb19068203 [0,0,1,0,0,0|1,0,0]=2 457 B13R1.35 COc1ccc(CC(C)N)cc1I Amb25255419 [0,0,1,0,0,0|1,0,0]=2 458 B13R1.35 COc1ccc(CC(C)O)cc1F Amb19068698 [0,0,1,0,0,0|2,0,0]=3 459 B13R1.35 COc1ccc(CC(N)=N)cc1Cl Amb18066495 [0,0,1,0,0,0|2,0,1]=4 460 B13R1.35 COc1ccc(CC(N)=N)cc1F Amb19343861 [0,0,1,0,0,0|2,0,1]=4 461 B13R1.35 COc1ccc(C[C@@H](C)N)cc1Br Amb24712481 [0,0,1,0,0,0|1,0,0]=2 462 B13R1.35 COc1ccc(C[C@@H](C)N)cc1F Amb25034365 [0,0,1,0,0,0|1,0,0]=2 463 B13R1.35 COc1ccc(C[C@@H](C)N)cc1I Amb25756709 [0,0,1,0,0,0|1,0,0]=2 464 B13R1.35 COc1ccc(C[C@@H](C)O)cc1Br Amb24472277 [0,0,1,0,0,0|2,0,0]=3 465 B13R1.35 COc1ccc(C[C@H](C)N)cc1F Amb24729345 [0,0,1,0,0,0|1,0,0]=2 466 B13R1.35 COc1ccc(C[C@H](C)N)cc1I Amb24376169 [0,0,1,0,0,0|1,0,0]=2 467 B13R1.35 COc1ccc(cc1Br)CC(=O)N Amb17410953 [0,0,1,0,0,0|2,0,1]=4 468 B13R1.35 COc1ccc(cc1Br)NC(C)C Amb18246604 [0,0,1,0,0,0|3,0,0]=4 469 B13R1.35 COc1ccc(cc1Br)OC(C)C Amb24536199 [0,0,1,0,0,0|3,0,0]=4 470 B13R1.35 COc1ccc(cc1C)CC(=O)C Amb16193027 [0,0,1,0,0,0|2,0,1]=4 471 B13R1.35 COc1ccc(cc1C)CC(=O)N Amb17400716 [0,0,1,0,0,0|2,0,1]=4 472 B13R1.35 COc1ccc(cc1Cl)CC(=O)N Amb17402323 [0,0,1,0,0,0|2,0,1]=4 473 B13R1.35 COc1ccc(cc1F)NC(C)C Amb13952323 [0,0,1,0,0,0|3,0,0]=4 474 B13R1.35 COc1ccc(cc1N)CC(C)C Amb17138908 [0,0,1,0,0,0|2,0,0]=3 475 B13R1.35 COc1ccc(cc1N)NC(C)O Amb24710235 [0,0,1,0,0,0|3,0,0]=4 476 B13R1.35 COc1ccc(cc1N)OC(C)C Amb18554915 [0,0,1,0,0,0|3,0,0]=4 477 B13R1.35 COc1ccc(cc1N)SC(C)C Amb23537930 [0,0,1,0,0,0|3,0,0]=4 478 B13R1.35 COc1ccc(cc1O)NC(N)=O Amb24489143 [0,0,1,0,0,0|2,0,1]=4 479 B13R1.35 COc1ccc(cc1O)OC(C)C Amb18554905 [0,0,1,0,0,0|2,0,0]=3 480 B13R1.35 COc1ccc(cc1O)OC(F)F Amb24449623 [0,0,1,0,0,0|3,0,0]=4 481 B13R1.35 CS(=O)Cc1ccc(OC)c(Cl)c1 Amb25669008 [0,0,1,0,0,0|3,0,0]=4 482 B13R1.35 CS(=O)Cc1ccc(OC)c(N)c1 Amb18974595 [0,0,1,0,0,0|3,0,0]=4 483 B13R1.35 C[C@@H](N)Cc1cc(N)c(cc1)C#N Amb25315441 [0,0,1,0,0,0|3,0,0]=4 484 B13R1.35 C[C@H](N)Cc1cc(F)c(CO)cc1 Amb25692253 [0,0,1,0,0,0|3,0,0]=4 485 B13R1.35 C[C@H](N)Cc1cc(O)c(CO)cc1 Amb24420443 [0,0,1,0,0,0|2,0,0]=3 486 B13R1.35 C[C@H](N)Cc1ccc(C#N)c(Br)c1 Amb24529442 [0,0,1,0,0,0|3,0,0]=4 487 B13R1.35 Cc1cc(CC(C)Br)ccc1OC Amb18048813 [0,0,1,0,0,0|2,0,0]=3 488 B13R1.35 Cc1cc(CC(C)Cl)ccc1OC Amb18049835 [0,0,1,0,0,0|2,0,0]=3 489 B13R1.35 Cc1cc(CC(C)N)ccc1C#N Amb24710379 [0,0,1,0,0,0|3,0,0]=4 490 B13R1.35 Cc1cc(CC(C)N)ccc1OC Amb18180985 [0,0,1,0,0,0|1,0,0]=2 491 B13R1.35 Cc1cc(CN(C)N)ccc1OC Amb18065947 [0,0,1,0,0,0|2,0,0]=3 492 B13R1.35 Cc1cc(C[C@@H](C)N)ccc1OC Amb25034184 [0,0,1,0,0,0|1,0,0]=2 493 B13R1.35 Cc1cc(C[C@H](C)N)ccc1C#N Amb25834560 [0,0,1,0,0,0|3,0,0]=4 494 B13R1.35 Cc1cc(C[C@H](C)N)ccc1OC Amb25069461 [0,0,1,0,0,0|1,0,0]=2 495 B13R1.35 Cc1cc(ccc1OC)NC(C)C Amb18292455 [0,0,1,0,0,0|3,0,0]=4 496 B13R1.35 Cc1cc(ccc1OC)OC(C)C Amb24490639 [0,0,1,0,0,0|3,0,0]=4 497 B13R1.52 CC(=O)Cc1cc(OC)c(Cl)cc1 Amb24393362 [0,0,1,0,0,0|2,0,1]=4 498 B13R1.52 CC(=O)Cc1cc(OC)c(I)cc1 Amb25230130 [0,0,1,0,0,0|2,0,1]=4 499 B13R1.52 CC(C)Cc1cc(CN)c(O)cc1 Amb18128498 [0,0,1,0,0,0|3,0,0]=4 500 B13R1.52 CC(N)Cc1cc(C#N)c(Br)cc1 Amb25676344 [0,0,1,0,0,0|3,0,0]=4 501 B13R1.52 CC(N)Cc1cc(C#N)c(O)cc1 Amb25201992 [0,0,1,0,0,0|2,0,0]=3 502 B13R1.52 CC(N)Cc1ccc(O)c(CO)c1 Amb25774446 [0,0,1,0,0,0|2,0,0]=3 503 B13R1.52 CCc1cc(C[C@@H](C)N)ccc1I Amb25693025 [0,0,1,0,0,0|2,0,0]=3 504 B13R1.52 CCc1cc(C[C@H](C)N)ccc1I Amb25117390 [0,0,1,0,0,0|2,0,0]=3 505 B13R1.52 CCc1cc(ccc1O)OC(C)C Amb18057311 [0,0,1,0,0,0|3,0,0]=4 506 B13R1.52 CN(C)Cc1cc(OC)c(O)cc1 Amb18648505 [0,0,1,0,0,0|2,0,0]=3 507 B13R1.52 CNc1cc(ccc1O)OC(C)C Amb18056159 [0,0,1,0,0,0|3,0,0]=4 508 B13R1.52 CO[13c]1[13cH][13c]([13cH][13cH][13c]1O)CC(=O)O Amb17614996 [0,0,1,0,0,0|2,0,1]=4 509 B13R1.52 COc1cc(CC(=O)Cl)ccc1O Amb25086556 [0,0,1,0,0,0|2,0,1]=4 510 B13R1.52 COc1cc(CC(C)C)ccc1O Amb25192100 [0,0,1,0,0,0|1,0,0]=2 511 B13R1.52 COc1cc(CC(C)Cl)ccc1O Amb24490162 [0,0,1,0,0,0|1,0,0]=2 512 B13R1.52 COc1cc(CC(C)N)ccc1Cl Amb24620437 [0,0,1,0,0,0|1,0,0]=2 513 B13R1.52 COc1cc(CC(C)N)ccc1F Amb18823317 [0,0,1,0,0,0|1,0,0]=2 514 B13R1.52 COc1cc(CC(C)N)ccc1O Amb22055456 [0,0,1,0,0,0|0,0,0]=1 515 B13R1.52 COc1cc(CC(N)=S)ccc1F Amb24667869 [0,0,1,0,0,0|2,0,1]=4 516 B13R1.52 COc1cc(CC(N)O)ccc1O Amb25680609 [0,0,1,0,0,0|1,0,0]=2 517 B13R1.52 COc1cc(C[C@@H](C)N)ccc1Br Amb25308145 [0,0,1,0,0,0|1,0,0]=2 518 B13R1.52 COc1cc(C[C@@H](C)N)ccc1Cl Amb25192280 [0,0,1,0,0,0|1,0,0]=2 519 B13R1.52 COc1cc(C[C@@H](C)N)ccc1F Amb25240117 [0,0,1,0,0,0|1,0,0]=2 520 B13R1.52 COc1cc(C[C@H](C)N)ccc1Br Amb25052992 [0,0,1,0,0,0|1,0,0]=2 521 B13R1.52 COc1cc(C[C@H](C)N)ccc1F Amb25339337 [0,0,1,0,0,0|1,0,0]=2 522 B13R1.52 COc1cc(C[C@H](C)N)ccc1I Amb24341241 [0,0,1,0,0,0|1,0,0]=2 523 B13R1.52 COc1cc(C[C@H](C)N)ccc1O Amb25326282 [0,0,1,0,0,0|0,0,0]=1 524 B13R1.52 COc1cc(ccc1Br)NC(C)C Amb25132786 [0,0,1,0,0,0|3,0,0]=4 525 B13R1.52 COc1cc(ccc1Cl)NC(C)C Amb25693288 [0,0,1,0,0,0|3,0,0]=4 526 B13R1.52 COc1cc(ccc1F)OC(C)C Amb24454664 [0,0,1,0,0,0|3,0,0]=4 527 B13R1.52 COc1cc(ccc1N)SC(C)C Amb25339203 [0,0,1,0,0,0|3,0,0]=4 528 B13R1.52 COc1cc(ccc1O)CC(Br)C Amb17596769 [0,0,1,0,0,0|1,0,0]=2 529 B13R1.52 COc1cc(ccc1O)NC(=O)C Amb17616815 [0,0,1,0,0,0|2,0,1]=4 530 B13R1.52 COc1cc(ccc1O)NC(N)=S Amb25311133 [0,0,1,0,0,0|2,0,1]=4 531 B13R1.52 COc1cc(ccc1O)OC(F)F Amb25143575 [0,0,1,0,0,0|3,0,0]=4 532 B13R1.52 CSc1cc(ccc1O)OC(C)C Amb24433808 [0,0,1,0,0,0|2,1,0]=4 533 B13R1.52 C[C@@H](N)Cc1cc(C#N)c(Cl)cc1 Amb24419049 [0,0,1,0,0,0|3,0,0]=4 534 B13R1.52 C[C@@H](N)Cc1cc(C#N)c(F)cc1 Amb24351036 [0,0,1,0,0,0|3,0,0]=4 535 B13R1.52 C[C@@H](N)Cc1cc(CO)c(F)cc1 Amb24588943 [0,0,1,0,0,0|3,0,0]=4 536 B13R1.52 C[C@@H](N)Cc1ccc(N)c(c1)C#N Amb25090315 [0,0,1,0,0,0|3,0,0]=4 537 B13R1.52 C[C@@H](N)Cc1ccc(O)c(CO)c1 Amb25733576 [0,0,1,0,0,0|2,0,0]=3 538 B13R1.52 C[C@H](N)Cc1cc(C#N)c(Br)cc1 Amb24623399 [0,0,1,0,0,0|3,0,0]=4 539 B13R1.52 C[C@H](N)Cc1cc(C#N)c(Cl)cc1 Amb24459830 [0,0,1,0,0,0|3,0,0]=4 540 B13R1.52 C[C@H](N)Cc1ccc(N)c(c1)C#N Amb25141528 [0,0,1,0,0,0|3,0,0]=4 541 B13R1.52 Cc1ccc(CC(C)N)cc1C#N Amb24596360 [0,0,1,0,0,0|3,0,0]=4 542 B13R1.52 Cc1ccc(CC(C)N)cc1OC Amb22284565 [0,0,1,0,0,0|1,0,0]=2 543 B13R1.52 Cc1ccc(CC(N)=N)cc1OC Amb24545944 [0,0,1,0,0,0|2,0,1]=4 544 B13R1.52 Cc1ccc(C[C@@H](C)N)cc1OC Amb25693589 [0,0,1,0,0,0|1,0,0]=2 545 B13R1.52 Cc1ccc(C[C@H](C)N)cc1C#N Amb24700310 [0,0,1,0,0,0|3,0,0]=4 546 B13R1.142 CC(C)Cc1ccc(CCBr)cc1 Amb18048780 [0,0,1,0,0,0|3,0,0]=4 547 B13R1.142 CC(C)Cc1ccc(CCCl)cc1 Amb18049990 [0,0,1,0,0,0|3,0,0]=4 548 B13R1.142 CC(C)Cc1ccc(\C=N\O)cc1 Amb22831864 [0,0,1,0,0,0|3,0,0]=4 549 B13R1.142 CC(C)Nc1ccc(CCO)cc1 Amb19011248 [0,0,1,0,0,0|3,0,0]=4 550 B13R1.142 CC(C)Sc1ccc(CCO)cc1 Amb18224952 [0,0,1,0,0,0|3,0,0]=4 551 B13R1.142 CCCc1ccc(CC(C)Br)cc1 Amb18548926 [0,0,1,0,0,0|3,0,0]=4 552 B13R1.142 CCCc1ccc(CC(C)Cl)cc1 Amb18049711 [0,0,1,0,0,0|3,0,0]=4 553 B13R1.142 CCCc1ccc(CC(C)N)cc1 Amb18049651 [0,0,1,0,0,0|2,0,0]=3 554 B13R1.142 CCNc1ccc(CC(C)C)cc1 Amb18243703 [0,0,1,0,0,0|3,0,0]=4 555 B13R1.142 CCOc1ccc(CC(C)Br)cc1 Amb18048899 [0,0,1,0,0,0|2,0,0]=3 556 B13R1.142 CCOc1ccc(CC(C)[*])cc1 Amb24107715 [0,0,1,0,0,0|2,0,0]=3 557 B13R1.142 CCOc1ccc(CC(N)=N)cc1 Amb21972128 [0,0,1,0,0,0|2,0,1]=4 558 B13R1.142 CCOc1ccc(CN(C)N)cc1 Amb18065946 [0,0,1,0,0,0|2,0,0]=3 559 B13R1.142 CCOc1ccc(cc1)CC(O)C Amb17477405 [0,0,1,0,0,0|2,0,0]=3 560 B13R1.142 CCSc1ccc(CC(C)N)cc1 Amb18894536 [0,0,1,0,0,0|1,1,0]=3 561 B13R1.142 NCCc1ccc(cc1)CC(C)C Amb17101794 [0,0,1,0,0,0|3,0,0]=4 562 B13R1.142 OCCc1ccc(cc1)CC(C)C Amb17233470 [0,0,1,0,0,0|2,0,0]=3 563 B13R1.142 SCCc1ccc(cc1)CC(C)C Amb17470890 [0,0,1,0,0,0|2,1,0]=4 564 B13R1.373 CC(C)Oc1cccc(CCO)c1 Amb19928751 [0,0,1,0,0,0|3,0,0]=4 565 B13R1.373 CC(N)Cc1cc(ccc1)NC=O Amb25361024 [0,0,1,0,0,0|1,0,2]=4 566 B13R1.373 CCOc1cc(ccc1)NC(C)C Amb19006182 [0,0,1,0,0,0|3,0,0]=4 567 B13R1.373 CCOc1cccc(CN(C)C)c1 Amb24078721 [0,0,1,0,0,0|3,0,0]=4 568 B13R1.373 CCOc1cccc(c1)CC(O)C Amb17477403 [0,0,1,0,0,0|2,0,0]=3 569 B15R3.677 Cc1[nH]c2c(n1)cc3c(c2)OCO3 Amb17119498 [0,0,0,1,0,0|1,0,1]=3 570 B15R3.677 Cc1cc2cc3OCOc3cc2[nH]1 Amb18243608 [0,0,0,1,0,0|0,0,2]=3 571 B15R3.677 Cc1sc2c(n1)cc3c(c2)OCO3 Amb1150915 [0,0,0,1,0,0|1,0,2]=4 572 B15R3.677 Clc1[nH]c2cc3OCOc3cc2[n]1 Amb25122717 [0,0,0,1,0,0|2,0,1]=4 573 B15R3.677 NC1Cc2c(C1)cc3c(c2)OCO3 Amb16233887 [0,0,0,1,0,0|0,0,0]=1 574 B15R3.677 NC1Cc2cc3NONc3cc2C1 Amb24085508 [0,0,0,1,0,0|3,0,0]=4 575 B15R3.677 O=C1Cc2cc3OCOc3cc2C1 Amb25320066 [0,0,0,1,0,0|1,0,1]=3 576 B15R3.677 O=C1Cc2cc3OCOc3cc2N1 Amb18243672 [0,0,0,1,0,0|1,0,1]=3 577 B15R3.677 O=C1Nc2cc3OCOc3cc2N1 Amb24441556 [0,0,0,1,0,0|2,0,1]=4 578 B15R3.677 O=C1Nc2cc3OCOc3cc2O1 Amb25269732 [0,0,0,1,0,0|2,0,1]=4 579 B15R3.677 OC1Cc2cc3OCOc3cc2C1 Amb25792407 [0,0,0,1,0,0|1,0,0]=2 580 B15R3.677 S=C1Nc2cc3OCOc3cc2N1 Amb22557919 [0,0,0,1,0,0|2,0,1]=4 581 B15R3.677 S=C1Nc2cc3OCOc3cc2O1 Amb24572855 [0,0,0,1,0,0|2,0,1]=4 582 B15R3.3648 CC1OC1c2ccc3OCOc3c2 Amb25224145 [0,0,0,1,0,0|1,0,0]=2 583 B15R3.3648 NC1CC1c2ccc3c(c2)CCC3 Amb17400415 [0,0,0,1,0,0|2,0,0]=3 584 B15R3.3648 N[C@@H]1C[C@H]1c2cc3OCOc3cc2 Amb24617703 [0,0,0,1,0,0|0,0,0]=1 585 B15R3.4379 C1COc2ccc(cc21)OC3CC3 Amb25720152 [0,0,0,1,0,0|3,0,0]=4 586 B15R3.4379 C1OC1Cc2cc3CCOc3cc2 Amb25156221 [0,0,0,1,0,0|2,0,0]=3 587 B15R3.4379 C1Oc2cc(ccc2O1)NC3CC3 Amb18270540 [0,0,0,1,0,0|2,0,0]=3 588 B13R2.430 CC(=O)c1ccc2c(c1)CCO2 Amb1680104 [0,0,0,0,1,0|2,0,1]=4 589 B13R2.430 CC(=S)c1cc2OCOc2cc1 Amb24720829 [0,0,0,0,1,0|1,0,1]=3 590 B13R2.430 CC(Br)c1cc2CCCc2cc1 Amb24590735 [0,0,0,0,1,0|3,0,0]=4 591 B13R2.430 CC(C)c1cc2ccoc2cc1 Amb24694810 [0,0,0,0,1,0|2,0,1]=4 592 B13R2.430 CC(C)c1ccc2CCOc2[n]1 Amb24091743 [0,0,0,0,1,0|3,0,0]=4 593 B13R2.430 CC(Cl)c1cc2CCCc2cc1 Amb18181274 [0,0,0,0,1,0|3,0,0]=4 594 B13R2.430 CC(Cl)c1cc2CCOc2cc1 Amb19057043 [0,0,0,0,1,0|2,0,0]=3 595 B13R2.430 CC(Cl)c1ccc2CCOc2c1 Amb25114879 [0,0,0,0,1,0|2,0,0]=3 596 B13R2.430 CC(F)c1cc2c[n]oc2cc1 Amb25350749 [0,0,0,0,1,0|3,0,0]=4 597 B13R2.430 CC(F)c1ccc2CCNc2c1 Amb25255554 [0,0,0,0,1,0|3,0,0]=4 598 B13R2.430 CC(N)c1[n]cc2CCOc2[n]1 Amb18828368 [0,0,0,0,1,0|3,0,0]=4 599 B13R2.430 CC(N)c1c[n]c2oc[n]c2c1 Amb25247534 [0,0,0,0,1,0|2,0,1]=4 600 B13R2.430 CC(N)c1cc2CCCc2[n]c1 Amb24596688 [0,0,0,0,1,0|3,0,0]=4 601 B13R2.430 CC(N)c1cc2COCc2cc1 Amb18280879 [0,0,0,0,1,0|3,0,0]=4 602 B13R2.430 CC(N)c1cc2[nH]ccc2cc1 Amb18199834 [0,0,0,0,1,0|2,0,1]=4 603 B13R2.430 CC(N)c1cc2[n]c[nH]c2cc1 Amb18893458 [0,0,0,0,1,0|2,0,1]=4 604 B13R2.430 CC(N)c1cc2[n]c[s]c2cc1 Amb18824822 [0,0,0,0,1,0|1,1,1]=4 605 B13R2.430 CC(N)c1cc2[s]c[n]c2cc1 Amb18824821 [0,0,0,0,1,0|1,1,1]=4 606 B13R2.430 CC(N)c1cc2cc[nH]c2cc1 Amb21913188 [0,0,0,0,1,0|2,0,1]=4 607 B13R2.430 CC(N)c1cc2cc[nH]c2cc1 Amb22756573 [0,0,0,0,1,0|2,0,1]=4 608 B13R2.430 CC(N)c1cc2ccoc2cc1 Amb18829961 [0,0,0,0,1,0|1,0,1]=3 609 B13R2.430 CC(N)c1ccc2CCOc2c1 Amb22899533 [0,0,0,0,1,0|1,0,0]=2 610 B13R2.430 CC(N)c1ccc2CCOc2c1 Amb22900040 [0,0,0,0,1,0|1,0,0]=2 611 B13R2.430 CC(O)c1cc2c[n]oc2cc1 Amb25223293 [0,0,0,0,1,0|3,0,0]=4 612 B13R2.430 CC(O)c1cc2ccoc2cc1 Amb24089265 [0,0,0,0,1,0|2,0,1]=4 613 B13R2.430 CC(O)c1cc2oc[n]c2cc1 Amb25854936 [0,0,0,0,1,0|2,0,1]=4 614 B13R2.430 CC(O)c1cc2occc2cc1 Amb25830487 [0,0,0,0,1,0|2,0,1]=4 615 B13R2.430 CC(O)c1ccc2CCNc2c1 Amb24559356 [0,0,0,0,1,0|3,0,0]=4 616 B13R2.430 CC(c1ccc2c(c1)CCC2)C Amb17232335 [0,0,0,0,1,0|3,0,0]=4 617 B13R2.430 CC(c1ccc2c(c1)CCC2)N Amb10610028 [0,0,0,0,1,0|2,0,0]=3 618 B13R2.430 CC(c1ccc2c(c1)CCN2)C Amb1132121 [0,0,0,0,1,0|3,0,0]=4 619 B13R2.430 CC(c1ccc2c(c1)CCO2)N Amb1108948 [0,0,0,0,1,0|1,0,0]=2 620 B13R2.430 CC(c1ccc2c(c1)OCO2)N Amb1108031 [0,0,0,0,1,0|0,0,0]=1 621 B13R2.430 CC(c1ccc2c(c1)[nH]nc2)N Amb10070482 [0,0,0,0,1,0|3,0,0]=4 622 B13R2.430 CC(c1ccc2c(c1)cn[nH]2)N Amb10070480 [0,0,0,0,1,0|3,0,0]=4 623 B13R2.430 CC(c1ccc2c(c1)nco2)C Amb17304943 [0,0,0,0,1,0|2,0,1]=4 624 B13R2.430 CC(c1ccc2c(c1)nco2)O Amb17319985 [0,0,0,0,1,0|2,0,1]=4 625 B13R2.430 CN(C)c1ccc2CCOc2c1 Amb25132695 [0,0,0,0,1,0|3,0,0]=4 626 B13R2.430 CN(c1ccc2c(c1)OCO2)C Amb15772457 [0,0,0,0,1,0|2,0,0]=3 627 B13R2.430 C[C@@H](N)c1cc2CCOc2cc1 Amb22746901 [0,0,0,0,1,0|1,0,0]=2 628 B13R2.430 C[C@@H](N)c1cc2CNCc2cc1 Amb25052606 [0,0,0,0,1,0|3,0,0]=4 629 B13R2.430 C[C@@H](N)c1cc2N=CCc2cc1 Amb25353616 [0,0,0,0,1,0|2,0,1]=4 630 B13R2.430 C[C@@H](N)c1cc2[nH][n][n]c2cc1 Amb25349593 [0,0,0,0,1,0|3,0,0]=4 631 B13R2.430 C[C@@H](N)c1cc2[nH]ccc2cc1 Amb24349725 [0,0,0,0,1,0|2,0,1]=4 632 B13R2.430 C[C@@H](N)c1cc2[s]ccc2cc1 Amb24714520 [0,0,0,0,1,0|1,1,1]=4 633 B13R2.430 C[C@@H](N)c1cc2cc[nH]c2cc1 Amb25667028 [0,0,0,0,1,0|2,0,1]=4 634 B13R2.430 C[C@@H](N)c1ccc2CCOc2c1 Amb25839755 [0,0,0,0,1,0|1,0,0]=2 635 B13R2.430 C[C@H](N)c1cc2CCNc2cc1 Amb25667465 [0,0,0,0,1,0|2,0,0]=3 636 B13R2.430 C[C@H](N)c1cc2CCOc2cc1 Amb25034594 [0,0,0,0,1,0|1,0,0]=2 637 B13R2.430 C[C@H](N)c1cc2[nH][n]cc2cc1 Amb24058222 [0,0,0,0,1,0|3,0,0]=4 638 B13R2.430 C[C@H](N)c1cc2c[n][nH]c2cc1 Amb24058221 [0,0,0,0,1,0|3,0,0]=4 639 B13R2.430 C[C@H](N)c1cc2cc[nH]c2cc1 Amb24744407 [0,0,0,0,1,0|2,0,1]=4 640 B13R2.430 C[C@H](N)c1cc2cc[s]c2cc1 Amb25277396 [0,0,0,0,1,0|1,1,1]=4 641 B13R2.430 C[C@H](N)c1cc2ccoc2[n]c1 Amb24058227 [0,0,0,0,1,0|2,0,1]=4 642 B13R2.430 C[C@H](N)c1ccc2CCOc2c1 Amb24737315 [0,0,0,0,1,0|1,0,0]=2 643 B13R2.430 C[C@H](c1ccc2c(c1)CCO2)N Amb16233828 [0,0,0,0,1,0|1,0,0]=2 644 B13R2.430 ClC(Cl)c1cc2OCOc2cc1 Amb25693351 [0,0,0,0,1,0|2,0,0]=3 645 B13R2.430 NC(=O)c1c[n]c2OCOc2c1 Amb25700364 [0,0,0,0,1,0|2,0,1]=4 646 B13R2.430 NC(=O)c1cc2OCOc2c[n]1 Amb25837412 [0,0,0,0,1,0|2,0,1]=4 647 B13R2.430 NC(=O)c1ccc2CCOc2c1 Amb23399917 [0,0,0,0,1,0|2,0,1]=4 648 B13R2.430 O=S(Cl)c1cc2OCOc2cc1 Amb18567170 [0,0,0,0,1,0|3,0,0]=4 649 B13R2.430 OC(=O)c1ccc2c(c1)OCO2 Amb2542764 [0,0,0,0,1,0|2,0,1]=4 650 B13R2.430 OS(=O)c1cc2OCOc2cc1 Amb18066175 [0,0,0,0,1,0|3,0,0]=4 651 B13R2.430 [O-]C(=O)c1cc2OCOc2cc1 Amb24309015 [0,0,0,0,1,0|2,0,1]=4 652 B13R2.430 [O-]S(=O)c1cc2OCOc2cc1 Amb25677807 [0,0,0,0,1,0|3,0,0]=4 653 B13R2.430 [O-][N+](=O)c1ccc2c(c1)OCO2 Amb1950845 [0,0,0,0,1,0|3,0,0]=4 654 B15R2.1668 CC(=O)Cc1cc2CCCOc2cc1 Amb18243942 [0,0,0,0,0,1|2,0,1]=4 655 B15R2.1668 CC(=O)Nc1ccc2c(c1)OCCO2 Amb1211222 [0,0,0,0,0,1|2,0,1]=4 656 B15R2.1668 CC(=O)Oc1ccc2c(c1)OCCO2 Amb17615069 [0,0,0,0,0,1|2,0,1]=4 657 B15R2.1668 CC(Br)Cc1cc2CCCCc2cc1 Amb18049387 [0,0,0,0,0,1|3,0,0]=4 658 B15R2.1668 CC(Br)Cc1ccc2OCCOc2c1 Amb18548895 [0,0,0,0,0,1|1,0,0]=2 659 B15R2.1668 CC(C)Cc1cc2CCCNc2cc1 Amb18636448 [0,0,0,0,0,1|3,0,0]=4 660 B15R2.1668 CC(C)Cc1cc2CCNCc2cc1 Amb18563172 [0,0,0,0,0,1|3,0,0]=4 661 B15R2.1668 CC(C)Cc1cc2NCCCc2cc1 Amb24526252 [0,0,0,0,0,1|3,0,0]=4 662 B15R2.1668 CC(C)Cc1ccc2CCNCc2c1 Amb24695983 [0,0,0,0,0,1|3,0,0]=4 663 B15R2.1668 CC(C)Nc1cc2CCCOc2cc1 Amb18894116 [0,0,0,0,0,1|3,0,0]=4 664 B15R2.1668 CC(C)Oc1cc2NCCOc2cc1 Amb25329515 [0,0,0,0,0,1|3,0,0]=4 665 B15R2.1668 CC(Cc1ccc2c(c1)CCCO2)N Amb17578572 [0,0,0,0,0,1|1,0,0]=2 666 B15R2.1668 CC(Cc1ccc2c(c1)NCCO2)C Amb17570577 [0,0,0,0,0,1|2,0,0]=3 667 B15R2.1668 CC(Cl)Cc1cc2CCCCc2cc1 Amb18549306 [0,0,0,0,0,1|3,0,0]=4 668 B15R2.1668 CC(Cl)Cc1ccc2OCCOc2c1 Amb18549155 [0,0,0,0,0,1|1,0,0]=2 669 B15R2.1668 CC(N)Cc1cc2CCCCc2cc1 Amb18049639 [0,0,0,0,0,1|2,0,0]=3 670 B15R2.1668 CC(N)Cc1cc2[n]cccc2cc1 Amb19105928 [0,0,0,0,0,1|2,0,1]=4 671 B15R2.1668 CC(N)Cc1cc2c[n]ccc2cc1 Amb19105763 [0,0,0,0,0,1|2,0,1]=4 672 B15R2.1668 CC(N)Cc1cc2cc[n]cc2cc1 Amb18353767 [0,0,0,0,0,1|2,0,1]=4 673 B15R2.1668 CC(N)Cc1cc2ccc[n]c2cc1 Amb19105926 [0,0,0,0,0,1|2,0,1]=4 674 B15R2.1668 CC(N)Cc1ccc2CCCNc2[n]1 Amb25276784 [0,0,0,0,0,1|3,0,0]=4 675 B15R2.1668 CC(N)Cc1ccc2OCCNc2c1 Amb18552370 [0,0,0,0,0,1|1,0,0]=2 676 B15R2.1668 CN(Cc1ccc2c(c1)NCCO2)C Amb17050588 [0,0,0,0,0,1|3,0,0]=4 677 B15R2.1668 CN(O)Cc1cc2CCCOc2cc1 Amb24455719 [0,0,0,0,0,1|3,0,0]=4 678 B15R2.1668 C[C@@H](N)Cc1cc2CCCCc2cc1 Amb25082545 [0,0,0,0,0,1|2,0,0]=3 679 B15R2.1668 C[C@@H](N)Cc1cc2OCCCc2cc1 Amb25793158 [0,0,0,0,0,1|1,0,0]=2 680 B15R2.1668 C[C@@H](N)Cc1cc2ccccc2cc1 Amb25213558 [0,0,0,0,0,1|2,0,1]=4 681 B15R2.1668 FC(Sc1ccc2c(c1)OCCO2)F Amb17243037 [0,0,0,0,0,1|3,0,0]=4 682 B15R2.1668 NC(=N)Cc1cc2CCCOc2cc1 Amb25080069 [0,0,0,0,0,1|2,0,1]=4 683 B15R2.1668 NC(=N)Cc1ccc2OCCOc2c1 Amb25064646 [0,0,0,0,0,1|1,0,1]=3 684 B15R2.1668 NC(=N)Nc1ccc2c(c1)OCCO2 Amb10879723 [0,0,0,0,0,1|2,0,1]=4 685 B15R2.1668 NC(=N)Sc1cc2OCCOc2cc1 Amb25693544 [0,0,0,0,0,1|2,0,1]=4 686 B15R2.1668 NC(=O)Cc1cc2CCCOc2cc1 Amb18894063 [0,0,0,0,0,1|2,0,1]=4 687 B15R2.1668 NC(=O)Nc1ccc2c(c1)OCCO2 Amb1086709 [0,0,0,0,0,1|2,0,1]=4 688 B15R2.1668 NC(=S)Cc1ccc2c(c1)OCCO2 Amb17464667 [0,0,0,0,0,1|1,0,1]=3 689 B15R2.1668 NC(=S)Nc1ccc2c(c1)OCCO2 Amb1151337 [0,0,0,0,0,1|2,0,1]=4 690 B15R2.1668 OC(=O)Cc1cc2COCOc2cc1 Amb18815456 [0,0,0,0,0,1|2,0,1]=4 691 B15R2.1668 OC(=O)Cc1ccc2COCOc2c1 Amb18815455 [0,0,0,0,0,1|2,0,1]=4 692 B15R2.1668 OC(=O)Cc1ccc2c(c1)OCCO2 Amb1102278 [0,0,0,0,0,1|2,0,1]=4 693 B15R2.1668 [O-]\[N+](=C\c1ccc2c(c1)OCCO2)\C Amb2500084 [0,0,0,0,0,1|2,0,1]=4 694 B15R2.7688 C=C(Cl)CNc1cc2OCOc2cc1 Amb18289307 [0,0,0,0,0,1|1,0,2]=4 695 B15R2.7688 CC(=C)CCc1ccc2OCOc2c1 Amb24411501 [0,0,0,0,0,1|1,0,1]=3 696 B15R2.7688 CC(=C)CNc1ccc2CCOc2c1 Amb24738605 [0,0,0,0,0,1|2,0,1]=4 697 B15R2.7688 CC(=C)CNc1ccc2c(c1)OCO2 Amb17306215 [0,0,0,0,0,1|1,0,1]=3 698 B15R2.7688 CC(=N)NCc1ccc2OCOc2c1 Amb25787412 [0,0,0,0,0,1|0,0,2]=3 699 B15R2.7688 CC(=O)CCc1cc2CCOc2cc1 Amb18819323 [0,0,0,0,0,1|2,0,1]=4 700 B15R2.7688 CC(=O)CCc1ccc2c(c1)OCO2 Amb1033014 [0,0,0,0,0,1|1,0,1]=3 701 B15R2.7688 CC(=O)NCc1ccc2c(c1)OCO2 Amb1092045 [0,0,0,0,0,1|1,0,1]=3 702 B15R2.7688 CC(=O)\C=C\c1ccc2c(c1)OCO2 Amb1776321 [0,0,0,0,0,1|1,0,2]=4 703 B15R2.7688 CC(Br)CCc1cc2CCCc2cc1 Amb25834961 [0,0,0,0,0,1|3,0,0]=4 704 B15R2.7688 CC(Br)CCc1cc2CCOc2cc1 Amb25341788 [0,0,0,0,0,1|2,0,0]=3 705 B15R2.7688 CC(Br)\C=C\c1cc2OCOc2cc1 Amb24340548 [0,0,0,0,0,1|1,0,1]=3 706 B15R2.7688 CC(C)CNc1cc2occc2cc1 Amb25079721 [0,0,0,0,0,1|2,0,1]=4 707 B15R2.7688 CC(C)CSc1cc2CCNc2cc1 Amb24067517 [0,0,0,0,0,1|3,0,0]=4 708 B15R2.7688 CC(C)NCc1cc2CCNc2cc1 Amb18972376 [0,0,0,0,0,1|3,0,0]=4 709 B15R2.7688 CC(C)NCc1cc2OCOc2c[n]1 Amb25295672 [0,0,0,0,0,1|2,0,0]=3 710 B15R2.7688 CC(C)NCc1cc2oc[n]c2cc1 Amb25170354 [0,0,0,0,0,1|2,0,1]=4 711 B15R2.7688 CC(C)NCc1cc2occc2cc1 Amb24337983 [0,0,0,0,0,1|2,0,1]=4 712 B15R2.7688 CC(CCc1ccc2c(c1)OCO2)N Amb1130185 [0,0,0,0,0,1|0,0,0]=1 713 B15R2.7688 CC(CNc1ccc2c(c1)OCO2)O Amb17139538 [0,0,0,0,0,1|1,0,0]=2 714 B15R2.7688 CC(Cl)CCc1cc2CCOc2cc1 Amb25283402 [0,0,0,0,0,1|2,0,0]=3 715 B15R2.7688 CC(Cl)\C=C\c1cc2CCOc2cc1 Amb25709382 [0,0,0,0,0,1|2,0,1]=4 716 B15R2.7688 CC(N)C#Cc1cc2CCCc2cc1 Amb24664962 [0,0,0,0,0,1|2,0,1]=4 717 B15R2.7688 CC(N)C#Cc1cc2CCOc2cc1 Amb24506594 [0,0,0,0,0,1|1,0,1]=3 718 B15R2.7688 CC(N)C#Cc1cc2OCCc2cc1 Amb24693041 [0,0,0,0,0,1|1,0,1]=3 719 B15R2.7688 CC(N)CCc1cc2CCCc2cc1 Amb18863483 [0,0,0,0,0,1|2,0,0]=3 720 B15R2.7688 CC(N)CCc1cc2[n]c[nH]c2cc1 Amb18893917 [0,0,0,0,0,1|2,0,1]=4 721 B15R2.7688 CC(N)CCc1cc2[n]c[s]c2cc1 Amb18895651 [0,0,0,0,0,1|1,1,1]=4 722 B15R2.7688 CC(N)CCc1cc2[n]coc2cc1 Amb18893989 [0,0,0,0,0,1|1,0,1]=3 723 B15R2.7688 CC(N)CCc1cc2oc[n]c2cc1 Amb18893973 [0,0,0,0,0,1|1,0,1]=3 724 B15R2.7688 CC(N)CNc1cc2OCOc2cc1 Amb24507362 [0,0,0,0,0,1|0,0,0]=1 725 B15R2.7688 CC(N)CNc1ccc2CCCc2[n]1 Amb25672992 [0,0,0,0,0,1|3,0,0]=4 726 B15R2.7688 CC(N)CSc1cc2CCCc2cc1 Amb25782257 [0,0,0,0,0,1|2,0,0]=3 727 B15R2.7688 CC(N)CSc1cc2OCOc2cc1 Amb18569324 [0,0,0,0,0,1|0,0,0]=1 728 B15R2.7688 CC(N)\C=C\c1cc2OCOc2cc1 Amb25094727 [0,0,0,0,0,1|0,0,1]=2 729 B15R2.7688 CC(NCc1ccc2c(c1)OCO2)C Amb11012703 [0,0,0,0,0,1|1,0,0]=2 730 B15R2.7688 CC(O)CCc1cc2CCOc2cc1 Amb25342685 [0,0,0,0,0,1|2,0,0]=3 731 B15R2.7688 CC(O)CCc1cc2OCCc2cc1 Amb24693035 [0,0,0,0,0,1|2,0,0]=3 732 B15R2.7688 CC(O)CNc1cc2CCCc2cc1 Amb18969607 [0,0,0,0,0,1|3,0,0]=4 733 B15R2.7688 CC(O)COc1cc2CCCc2cc1 Amb19078939 [0,0,0,0,0,1|3,0,0]=4 734 B15R2.7688 CC(O)COc1cc2OCOc2cc1 Amb19081473 [0,0,0,0,0,1|1,0,0]=2 735 B15R2.7688 CC(O)\C=C\c1cc2OCOc2cc1 Amb25185927 [0,0,0,0,0,1|1,0,1]=3 736 B15R2.7688 CN(C)CCc1ccc2OCOc2c1 Amb24553671 [0,0,0,0,0,1|2,0,0]=3 737 B15R2.7688 CN(C)NCc1ccc2OCOc2c1 Amb25736119 [0,0,0,0,0,1|2,0,0]=3 738 B15R2.7688 CN(N)CCc1ccc2OCOc2c1 Amb18565518 [0,0,0,0,0,1|1,0,0]=2 739 B15R2.7688 CN(\C=N\c1ccc2c(c1)OCO2)C Amb1395052 [0,0,0,0,0,1|2,0,1]=4 740 B15R2.7688 C[C@@H](COc1ccc2c(c1)CCC2)N Amb17235157 [0,0,0,0,0,1|2,0,0]=3 741 B15R2.7688 C[C@@H](COc1ccc2c(c1)OCO2)N Amb17236164 [0,0,0,0,0,1|0,0,0]=1 742 B15R2.7688 C[C@@H](N)COc1cc2CCCc2cc1 Amb18538539 [0,0,0,0,0,1|2,0,0]=3 743 B15R2.7688 C[C@@H](N)COc1cc2OCOc2cc1 Amb18538556 [0,0,0,0,0,1|0,0,0]=1 744 B15R2.7688 C[C@@H](O)CNc1cc2OCOc2cc1 Amb24736860 [0,0,0,0,0,1|1,0,0]=2 745 B15R2.7688 C[C@@H](O)\C=C\c1cc2OCOc2cc1 Amb25065490 [0,0,0,0,0,1|1,0,1]=3 746 B15R2.7688 C[C@H](O)COc1cc2OCOc2cc1 Amb24342892 [0,0,0,0,0,1|1,0,0]=2 747 B15R2.7688 ClC(=O)COc1ccc2c(c1)OCO2 Amb17143617 [0,0,0,0,0,1|2,0,1]=4 748 B15R2.7688 FC(F)CNc1cc2CCOc2cc1 Amb24545430 [0,0,0,0,0,1|3,0,0]=4 749 B15R2.7688 FC(F)CNc1cc2OCOc2cc1 Amb18320542 [0,0,0,0,0,1|2,0,0]=3 750 B15R2.7688 NC(=N)CCc1ccc2OCOc2c1 Amb18565079 [0,0,0,0,0,1|1,0,1]=3 751 B15R2.7688 NC(=N)NCc1cc2OCOc2cc1 Amb21959717 [0,0,0,0,0,1|1,0,1]=3 752 B15R2.7688 NC(=N)SCc1ccc2OCOc2c1 Amb24442354 [0,0,0,0,0,1|1,0,1]=3 753 B15R2.7688 NC(=O)COc1ccc2c(c1)OCO2 Amb1646912 [0,0,0,0,0,1|1,0,1]=3 754 B15R2.7688 NC(=O)\C=C/c1cc2OCOc2cc1 Amb25181161 [0,0,0,0,0,1|1,0,2]=4 755 B15R2.7688 NC(=O)\N=C\c1cc2OCOc2cc1 Amb25193524 [0,0,0,0,0,1|1,0,2]=4 756 B15R2.7688 NC(=S)CCc1cc2CCOc2cc1 Amb25037662 [0,0,0,0,0,1|2,0,1]=4 757 B15R2.7688 OC(=O)CCc1ccc2c(c1)OCO2 Amb1225386 [0,0,0,0,0,1|2,0,1]=4 758 B15R2.7688 OC(=O)CSc1ccc2c(c1)OCO2 Amb17082992 [0,0,0,0,0,1|2,0,1]=4 759 B15R2.7688 [O-][N+](=O)CCc1ccc2c(c1)OCO2 Amb17402001 [0,0,0,0,0,1|3,0,0]=4 760 B12R1.4 CC(=O)Cc1ccc(CO)cc1 Amb24532516 [1,0,1,0,0,0|1,0,1]=4 761 B12R1.4 CC(C)Sc1ccc(CO)cc1 Amb18863036 [1,0,1,0,0,0|2,0,0]=4 762 B12R1.4 CC(N)Cc1ccc(CO)c[n]1 Amb24630337 [1,0,1,0,0,0|1,0,0]=3 763 B12R1.4 CC(N)Cc1ccc(cc1)C#C Amb25836893 [1,0,1,0,0,0|1,0,1]=4 764 B12R1.4 CCc1ccc(CC(C)Br)cc1 Amb18049385 [1,0,1,0,0,0|2,0,0]=4 765 B12R1.4 CCc1ccc(CN(C)N)cc1 Amb18563654 [1,0,1,0,0,0|2,0,0]=4 766 B12R1.4 CCc1ccc(C[C@@H](C)N)cc1 Amb24729343 [1,0,1,0,0,0|1,0,0]=3 767 B12R1.4 CCc1ccc(cc1)CC(Cl)C Amb17477427 [1,0,1,0,0,0|2,0,0]=4 768 B12R1.4 CCc1ccc(cc1)CC(O)C Amb17477408 [1,0,1,0,0,0|2,0,0]=4 769 B12R1.4 CN(N)Cc1ccc(cc1)OC Amb18563735 [1,0,1,0,0,0|1,0,0]=3 770 B12R1.4 CN(N)Cc1ccc(cc1)SC Amb24395352 [1,0,1,0,0,0|1,1,0]=4 771 B12R1.4 CNc1ccc(CC(C)C)cc1 Amb18563594 [1,0,1,0,0,0|2,0,0]=4 772 B12R1.4 CNc1ccc(C[C@@H](C)N)cc1 Amb24760053 [1,0,1,0,0,0|1,0,0]=3 773 B12R1.4 COc1[n]cc(CC(C)N)c[n]1 Amb25740027 [1,0,1,0,0,0|2,0,0]=4 774 B12R1.4 COc1ccc(CC(C)Cl)cc1 Amb19045657 [1,0,1,0,0,0|1,0,0]=3 775 B12R1.4 COc1ccc(CC(C)S)cc1 Amb25096741 [1,0,1,0,0,0|1,0,0]=3 776 B12R1.4 COc1ccc(C[C@H](C)N)c[n]1 Amb25313734 [1,0,1,0,0,0|1,0,0]=3 777 B12R1.4 COc1ccc(cc1)CC(N)C Amb1089334 [1,0,1,0,0,0|0,0,0]=2 778 B12R1.4 COc1ccc(cc1)CC(N)C Amb2099800 [1,0,1,0,0,0|0,0,0]=2 779 B12R1.4 COc1ccc(cc1)CC(O)C Amb1110944 [1,0,1,0,0,0|1,0,0]=3 780 B12R1.4 COc1ccc(cc1)C[C@@H](N)C Amb13952980 [1,0,1,0,0,0|0,0,0]=2 781 B12R1.4 COc1ccc(cc1)C[C@@H](O)C Amb13952977 [1,0,1,0,0,0|1,0,0]=3 782 B12R1.4 COc1ccc(cc1)C[C@H](N)C Amb13952979 [1,0,1,0,0,0|0,0,0]=2 783 B12R1.4 COc1ccc(cc1)C[C@H](O)C Amb13952978 [1,0,1,0,0,0|1,0,0]=3 784 B12R1.4 COc1ccc(cc1)NC(C)C Amb13952774 [1,0,1,0,0,0|2,0,0]=4 785 B12R1.4 COc1ccc(cc1)OC(C)Cl Amb25108666 [1,0,1,0,0,0|2,0,0]=4 786 B12R1.4 COc1ccc(cc1)SC(C)O Amb24079671 [1,0,1,0,0,0|2,0,0]=4 787 B12R1.4 CSc1ccc(CC(C)C)cc1 Amb24377627 [1,0,1,0,0,0|1,1,0]=4 788 B12R1.4 CSc1ccc(CC(C)Cl)cc1 Amb25081458 [1,0,1,0,0,0|1,1,0]=4 789 B12R1.4 CSc1ccc(CC(C)N)c[n]1 Amb25082444 [1,0,1,0,0,0|1,1,0]=4 790 B12R1.4 CSc1ccc(cc1)CC(N)C Amb17617827 [1,0,1,0,0,0|0,1,0]=3 791 B12R1.4 C[C@@H](N)Cc1ccc(cc1)C#N Amb25339361 [1,0,1,0,0,0|1,0,1]=4 792 B12R1.4 C[C@H](N)Cc1ccc(C=C)cc1 Amb24376163 [1,0,1,0,0,0|1,0,1]=4 793 B12R1.4 C[C@H](N)Cc1ccc(CO)cc1 Amb25353564 [1,0,1,0,0,0|0,0,0]=2 794 B12R1.4 NCc1ccc(cc1)CC(C)C Amb17101770 [1,0,1,0,0,0|2,0,0]=4 795 B12R1.4 OCc1ccc(cc1)CC(C)C Amb17232495 [1,0,1,0,0,0|1,0,0]=3 796 B12R1.19 CC(=O)Cc1ccc(O)c(C)c1 Amb18646039 [1,0,1,0,0,0|1,0,1]=4 797 B12R1.19 CC(C)Cc1ccc(O)c(Cl)c1 Amb25094445 [1,0,1,0,0,0|2,0,0]=4 798 B12R1.19 CC(C)Cc1ccc(O)c(F)c1 Amb25728519 [1,0,1,0,0,0|2,0,0]=4 799 B12R1.19 CC(C)Cc1ccc(O)c(N)c1 Amb18126428 [1,0,1,0,0,0|2,0,0]=4 800 B12R1.19 CC(C)Nc1cc(O)c(O)cc1 Amb25200145 [1,0,1,0,0,0|2,0,0]=4 801 B12R1.19 CC(C)Oc1cc(O)c(O)cc1 Amb18056147 [1,0,1,0,0,0|2,0,0]=4 802 B12R1.19 CC(Cc1ccc(c(c1)N)C)C Amb17138564 [1,0,1,0,0,0|2,0,0]=4 803 B12R1.19 CC(Cc1ccc(c(c1)O)O)N Amb17613029 [1,0,1,0,0,0|0,0,0]=2 804 B12R1.19 CC(Cl)Cc1cc(C)c(C)cc1 Amb18318213 [1,0,1,0,0,0|2,0,0]=4 805 B12R1.19 CC(N)Cc1cc(N)c(O)cc1 Amb24653546 [1,0,1,0,0,0|1,0,0]=3 806 B12R1.19 CC(N)Cc1ccc(Br)c(Cl)c1 Amb25350409 [1,0,1,0,0,0|2,0,0]=4 807 B12R1.19 CC(N)Cc1ccc(Br)c(F)c1 Amb24740344 [1,0,1,0,0,0|2,0,0]=4 808 B12R1.19 CC(N)Cc1ccc(Br)c(O)c1 Amb24702344 [1,0,1,0,0,0|1,0,0]=3 809 B12R1.19 CC(N)Cc1ccc(Cl)c(F)c1 Amb19071501 [1,0,1,0,0,0|2,0,0]=4 810 B12R1.19 CC(N)Cc1ccc(Cl)c(O)c1 Amb25150837 [1,0,1,0,0,0|1,0,0]=3 811 B12R1.19 CC(N)Cc1ccc(F)c(Cl)c1 Amb18893773 [1,0,1,0,0,0|2,0,0]=4 812 B12R1.19 CC(N)Cc1ccc(I)c(Br)c1 Amb24630445 [1,0,1,0,0,0|2,0,0]=4 813 B12R1.19 CC(N)Cc1ccc(I)c(F)c1 Amb24373926 [1,0,1,0,0,0|2,0,0]=4 814 B12R1.19 CC(N)Cc1ccc(O)c(Cl)c1 Amb19069941 [1,0,1,0,0,0|1,0,0]=3 815 B12R1.19 CC(N)Cc1ccc(O)c(F)c1 Amb25367261 [1,0,1,0,0,0|1,0,0]=3 816 B12R1.19 CC(N)Cc1ccc(O)c(I)c1 Amb24532547 [1,0,1,0,0,0|1,0,0]=3 817 B12R1.19 CC(O)Cc1cc(C)c(C)cc1 Amb18792587 [1,0,1,0,0,0|2,0,0]=4 818 B12R1.19 CC1=CN(CC(C)N)C=CC1=O Amb24363069 [1,0,1,0,0,0|1,0,1]=4 819 B12R1.19 CN(C)Cc1cc(O)c(O)cc1 Amb24646436 [1,0,1,0,0,0|2,0,0]=4 820 B12R1.19 C[C@@H](N)Cc1cc(F)c(F)cc1 Amb25278442 [1,0,1,0,0,0|2,0,0]=4 821 B12R1.19 C[C@@H](N)Cc1cc(N)c(Cl)cc1 Amb24378577 [1,0,1,0,0,0|2,0,0]=4 822 B12R1.19 C[C@@H](N)Cc1cc(N)c(O)cc1 Amb24524903 [1,0,1,0,0,0|1,0,0]=3 823 B12R1.19 C[C@@H](N)Cc1ccc(Br)c(O)c1 Amb24717072 [1,0,1,0,0,0|1,0,0]=3 824 B12R1.19 C[C@@H](N)Cc1ccc(Cl)c(Br)c1 Amb24624067 [1,0,1,0,0,0|2,0,0]=4 825 B12R1.19 C[C@@H](N)Cc1ccc(Cl)c(O)c1 Amb24435454 [1,0,1,0,0,0|1,0,0]=3 826 B12R1.19 C[C@@H](N)Cc1ccc(F)c(Cl)c1 Amb24587205 [1,0,1,0,0,0|2,0,0]=4 827 B12R1.19 C[C@@H](N)Cc1ccc(I)c(Cl)c1 Amb25305714 [1,0,1,0,0,0|2,0,0]=4 828 B12R1.19 C[C@@H](N)Cc1ccc(N)c(Br)c1 Amb25755454 [1,0,1,0,0,0|2,0,0]=4 829 B12R1.19 C[C@@H](N)Cc1ccc(N)c(Cl)c1 Amb25771599 [1,0,1,0,0,0|2,0,0]=4 830 B12R1.19 C[C@@H](N)Cc1ccc(O)c(F)c1 Amb24385968 [1,0,1,0,0,0|1,0,0]=3 831 B12R1.19 C[C@H](N)Cc1cc(C)c(C)cc1 Amb25760143 [1,0,1,0,0,0|1,0,0]=3 832 B12R1.19 C[C@H](N)Cc1cc(Cl)c(Cl)cc1 Amb25229826 [1,0,1,0,0,0|2,0,0]=4 833 B12R1.19 C[C@H](N)Cc1cc(F)c(F)cc1 Amb24350566 [1,0,1,0,0,0|2,0,0]=4 834 B12R1.19 C[C@H](N)Cc1cc(O)c(O)cc1 Amb25667213 [1,0,1,0,0,0|0,0,0]=2 835 B12R1.19 C[C@H](N)Cc1ccc(Br)c(I)c1 Amb25717057 [1,0,1,0,0,0|2,0,0]=4 836 B12R1.19 C[C@H](N)Cc1ccc(Cl)c(Br)c1 Amb24525075 [1,0,1,0,0,0|2,0,0]=4 837 B12R1.19 C[C@H](N)Cc1ccc(Cl)c(I)c1 Amb24750213 [1,0,1,0,0,0|2,0,0]=4 838 B12R1.19 C[C@H](N)Cc1ccc(F)c(O)c1 Amb24525057 [1,0,1,0,0,0|1,0,0]=3 839 B12R1.19 C[C@H](N)Cc1ccc(I)c(Cl)c1 Amb25067837 [1,0,1,0,0,0|2,0,0]=4 840 B12R1.19 C[C@H](N)Cc1ccc(I)c(F)c1 Amb24580055 [1,0,1,0,0,0|2,0,0]=4 841 B12R1.19 C[C@H](N)Cc1ccc(N)c(Br)c1 Amb24524791 [1,0,1,0,0,0|2,0,0]=4 842 B12R1.19 C[C@H](N)Cc1ccc(N)c(Cl)c1 Amb25667463 [1,0,1,0,0,0|2,0,0]=4 843 B12R1.19 C[C@H](N)Cc1ccc(O)c(Br)c1 Amb25117393 [1,0,1,0,0,0|1,0,0]=3 844 B12R1.19 Cc1c[n]c(CC(C)N)cc1C Amb24649885 [1,0,1,0,0,0|2,0,0]=4 845 B12R1.19 Cc1cc(CC(C)Br)ccc1Cl Amb18548896 [1,0,1,0,0,0|2,0,0]=4 846 B12R1.19 Cc1cc(CC(C)Br)ccc1F Amb18049300 [1,0,1,0,0,0|2,0,0]=4 847 B12R1.19 Cc1cc(CC(C)C)ccc1Br Amb25676235 [1,0,1,0,0,0|2,0,0]=4 848 B12R1.19 Cc1cc(CC(C)Cl)ccc1Cl Amb18049805 [1,0,1,0,0,0|2,0,0]=4 849 B12R1.19 Cc1cc(CC(C)Cl)ccc1F Amb18049522 [1,0,1,0,0,0|2,0,0]=4 850 B12R1.19 Cc1cc(CC(C)N)c[n]c1C Amb24736669 [1,0,1,0,0,0|2,0,0]=4 851 B12R1.19 Cc1cc(CC(C)N)ccc1Cl Amb18049640 [1,0,1,0,0,0|1,0,0]=3 852 B12R1.19 Cc1cc(CC(C)N)ccc1F Amb18792940 [1,0,1,0,0,0|1,0,0]=3 853 B12R1.19 Cc1cc(CC(C)N)ccc1N Amb25828397 [1,0,1,0,0,0|1,0,0]=3 854 B12R1.19 Cc1cc(CC(C)O)ccc1Cl Amb24457807 [1,0,1,0,0,0|2,0,0]=4 855 B12R1.19 Cc1cc(CC(N)=O)ccc1O Amb24390284 [1,0,1,0,0,0|1,0,1]=4 856 B12R1.19 Cc1cc(C[C@@H](C)N)ccc1I Amb25076128 [1,0,1,0,0,0|1,0,0]=3 857 B12R1.19 Cc1cc(C[C@@H](C)N)ccc1O Amb25771616 [1,0,1,0,0,0|0,0,0]=2 858 B12R1.19 Cc1cc(C[C@H](C)N)ccc1Br Amb24428089 [1,0,1,0,0,0|1,0,0]=3 859 B12R1.19 Cc1cc(C[C@H](C)N)ccc1Cl Amb25224950 [1,0,1,0,0,0|1,0,0]=3 860 B12R1.19 Cc1cc(C[C@H](C)N)ccc1I Amb25726333 [1,0,1,0,0,0|1,0,0]=3 861 B12R1.19 Cc1cc(ccc1O)NC(C)C Amb25770750 [1,0,1,0,0,0|2,0,0]=4 862 B12R1.19 Cc1cc(ccc1O)OC(C)C Amb18055415 [1,0,1,0,0,0|2,0,0]=4 863 B12R1.19 Cc1cc(ccc1O)SC(C)C Amb25205734 [1,0,1,0,0,0|2,0,0]=4 864 B12R1.19 Cc1ccc(CC(C)Cl)cc1Br Amb25139622 [1,0,1,0,0,0|2,0,0]=4 865 B12R1.19 Cc1ccc(CC(C)N)cc1Br Amb25139532 [1,0,1,0,0,0|1,0,0]=3 866 B12R1.19 Cc1ccc(CC(C)N)cc1Cl Amb24715846 [1,0,1,0,0,0|1,0,0]=3 867 B12R1.19 Cc1ccc(CC(C)N)cc1N Amb25124778 [1,0,1,0,0,0|1,0,0]=3 868 B12R1.19 Cc1ccc(CC(C)N)cc1O Amb24419650 [1,0,1,0,0,0|0,0,0]=2 869 B12R1.19 Cc1ccc(CC(C)O)cc1Cl Amb24379895 [1,0,1,0,0,0|2,0,0]=4 870 B12R1.19 Cc1ccc(CC(C)O)cc1F Amb24493460 [1,0,1,0,0,0|2,0,0]=4 871 B12R1.19 Cc1ccc(C[C@@H](C)N)cc1Br Amb25667472 [1,0,1,0,0,0|1,0,0]=3 872 B12R1.19 Cc1ccc(C[C@@H](C)N)cc1Cl Amb25360034 [1,0,1,0,0,0|1,0,0]=3 873 B12R1.19 Cc1ccc(C[C@@H](C)N)cc1I Amb24449764 [1,0,1,0,0,0|1,0,0]=3 874 B12R1.19 Cc1ccc(C[C@@H](C)N)cc1N Amb25117918 [1,0,1,0,0,0|1,0,0]=3 875 B12R1.19 Cc1ccc(C[C@@H](C)N)cc1O Amb24376146 [1,0,1,0,0,0|0,0,0]=2 876 B12R1.19 Cc1ccc(C[C@H](C)N)cc1Br Amb24428189 [1,0,1,0,0,0|1,0,0]=3 877 B12R1.19 Cc1ccc(C[C@H](C)N)cc1Cl Amb25726939 [1,0,1,0,0,0|1,0,0]=3 878 B12R1.19 Cc1ccc(cc1O)NC(C)C Amb25772827 [1,0,1,0,0,0|2,0,0]=4 879 B12R1.19 Cc1ccc(cc1O)OC(C)C Amb23569450 [1,0,1,0,0,0|2,0,0]=4 880 B12R1.19 NC(=N)Cc1cc(O)c(O)cc1 Amb24097421 [1,0,1,0,0,0|1,0,1]=4 881 B12R1.19 NC(=O)Cc1cc(O)c(O)cc1 Amb19747005 [1,0,1,0,0,0|1,0,1]=4 882 B12R1.288 CC=Cc1ccc(OC)c(O)c1 Amb24065712 [1,0,1,0,0,0|0,0,2]=4 883 B12R1.288 CCCc1ccc(SC)c(Br)c1 Amb25156699 [1,0,1,0,0,0|1,1,0]=4 884 B12R1.288 CCCc1ccc(SC)c(F)c1 Amb24554410 [1,0,1,0,0,0|1,1,0]=4 885 B12R1.288 CCCc1ccc(SC)c(N)c1 Amb24494450 [1,0,1,0,0,0|1,1,0]=4 886 B12R1.288 CCCc1ccc(SC)c(O)c1 Amb25825361 [1,0,1,0,0,0|0,1,0]=3 887 B12R1.288 CCCc1ccc(c(c1)N)CC Amb17138563 [1,0,1,0,0,0|2,0,0]=4 888 B12R1.288 CCCc1ccc(c(c1)N)OC Amb17138588 [1,0,1,0,0,0|1,0,0]=3 889 B12R1.288 CCCc1ccc(c(c1)O)CC Amb17594077 [1,0,1,0,0,0|1,0,0]=3 890 B12R1.288 CCNc1cc(Br)c(cc1)OC Amb18244578 [1,0,1,0,0,0|2,0,0]=4 891 B12R1.288 CCNc1cc(N)c(cc1)OC Amb24695321 [1,0,1,0,0,0|2,0,0]=4 892 B12R1.288 CCOc1ccc(CC)c(O)c1 Amb25040167 [1,0,1,0,0,0|2,0,0]=4 893 B12R1.288 CCSc1cc(N)c(cc1)OC Amb23537954 [1,0,1,0,0,0|2,0,0]=4 894 B12R1.288 CCSc1cc(O)c(cc1)OC Amb24471419 [1,0,1,0,0,0|1,0,0]=3 895 B12R1.288 CCc1ccc(CCN)cc1Br Amb24360473 [1,0,1,0,0,0|2,0,0]=4 896 B12R1.288 CCc1ccc(CCN)cc1Cl Amb18277508 [1,0,1,0,0,0|2,0,0]=4 897 B12R1.288 CCc1ccc(CCN)cc1F Amb25718455 [1,0,1,0,0,0|2,0,0]=4 898 B12R1.288 CCc1ccc(COC)cc1O Amb18646546 [1,0,1,0,0,0|2,0,0]=4 899 B12R1.288 CNCc1ccc(OC)c(N)c1 Amb24663378 [1,0,1,0,0,0|2,0,0]=4 900 B12R1.288 CNCc1ccc(c(c1)C)OC Amb15705098 [1,0,1,0,0,0|2,0,0]=4 901 B12R1.288 CNCc1ccc(c(c1)Cl)OC Amb11014349 [1,0,1,0,0,0|2,0,0]=4 902 B12R1.288 CNCc1ccc(c(c1)F)OC Amb1106045 [1,0,1,0,0,0|2,0,0]=4 903 B12R1.288 CNCc1ccc(c(c1)O)OC Amb1076078 [1,0,1,0,0,0|1,0,0]=3 904 B12R1.288 CNc1ccc(CCN)cc1F Amb18563855 [1,0,1,0,0,0|2,0,0]=4 905 B12R1.288 COC1=COC(CCC)=CC1=O Amb25294449 [1,0,1,0,0,0|1,0,1]=4 906 B12R1.288 COC1=COC(CCN)=CC1=O Amb24713084 [1,0,1,0,0,0|1,0,1]=4 907 B12R1.288 COCc1ccc(OC)c(O)c1 Amb24497016 [1,0,1,0,0,0|1,0,0]=3 908 B12R1.288 COCc1ccc(SC)c(O)c1 Amb25693968 [1,0,1,0,0,0|1,1,0]=4 909 B12R1.288 COc1[n]cc(CCN)cc1F Amb24369518 [1,0,1,0,0,0|2,0,0]=4 910 B12R1.288 COc1ccc(CC#N)cc1O Amb18645793 [1,0,1,0,0,0|0,0,2]=4 911 B12R1.288 COc1ccc(CCBr)cc1Br Amb18241382 [1,0,1,0,0,0|2,0,0]=4 912 B12R1.288 COc1ccc(CCBr)cc1Cl Amb18876253 [1,0,1,0,0,0|2,0,0]=4 913 B12R1.288 COc1ccc(CCBr)cc1F Amb24094299 [1,0,1,0,0,0|2,0,0]=4 914 B12R1.288 COc1ccc(CCCl)cc1Br Amb18228282 [1,0,1,0,0,0|2,0,0]=4 915 B12R1.288 COc1ccc(CCCl)cc1Cl Amb18225085 [1,0,1,0,0,0|2,0,0]=4 916 B12R1.288 COc1ccc(CCCl)cc1F Amb19060250 [1,0,1,0,0,0|2,0,0]=4 917 B12R1.288 COc1ccc(CCN)cc1Br Amb22395127 [1,0,1,0,0,0|1,0,0]=3 918 B12R1.288 COc1ccc(CCN)cc1Cl Amb22347969 [1,0,1,0,0,0|1,0,0]=3 919 B12R1.288 COc1ccc(CCN)cc1F Amb24089807 [1,0,1,0,0,0|1,0,0]=3 920 B12R1.288 COc1ccc(CCN)cc1N Amb18908686 [1,0,1,0,0,0|1,0,0]=3 921 B12R1.288 COc1ccc(CC[NH3+])cc1O Amb17778406 [1,0,1,0,0,0|0,0,1]=3 922 B12R1.288 COc1ccc(CNN)cc1O Amb24420632 [1,0,1,0,0,0|1,0,0]=3 923 B12R1.288 COc1ccc(CON)cc1Cl Amb18649701 [1,0,1,0,0,0|2,0,0]=4 924 B12R1.288 COc1ccc(CON)cc1I Amb25352709 [1,0,1,0,0,0|2,0,0]=4 925 B12R1.288 COc1ccc(CSC)cc1Br Amb24633682 [1,0,1,0,0,0|2,0,0]=4 926 B12R1.288 COc1ccc(CSC)cc1N Amb18290077 [1,0,1,0,0,0|2,0,0]=4 927 B12R1.288 COc1ccc(\C=N\N)cc1O Amb25343486 [1,0,1,0,0,0|1,0,1]=4 928 B12R1.288 COc1ccc(cc1F)OCC Amb24369820 [1,0,1,0,0,0|2,0,0]=4 929 B12R1.288 COc1ccc(cc1N)OCC Amb18056207 [1,0,1,0,0,0|2,0,0]=4 930 B12R1.288 COc1ccc(cc1O)OCC Amb18055999 [1,0,1,0,0,0|1,0,0]=3 931 B12R1.288 CSc1ccc(CCN)cc1Br Amb25786979 [1,0,1,0,0,0|1,1,0]=4 932 B12R1.288 CSc1ccc(CCN)cc1Cl Amb24342071 [1,0,1,0,0,0|1,1,0]=4 933 B12R1.288 CSc1ccc(CCN)cc1F Amb24483384 [1,0,1,0,0,0|1,1,0]=4 934 B12R1.288 C\C=C/c1ccc(OC)c(O)c1 Amb24532743 [1,0,1,0,0,0|0,0,2]=4 935 B12R1.288 Cc1cc(CCBr)ccc1OC Amb18049373 [1,0,1,0,0,0|2,0,0]=4 936 B12R1.288 Cc1cc(CCCl)ccc1OC Amb18049742 [1,0,1,0,0,0|2,0,0]=4 937 B12R1.288 Cc1cc(ccc1OC)NCC Amb18292378 [1,0,1,0,0,0|2,0,0]=4 938 B12R1.288 Cc1cc(ccc1OC)OCC Amb24351947 [1,0,1,0,0,0|2,0,0]=4 939 B12R1.288 NNCc1ccc(c(c1)Br)OC Amb1113416 [1,0,1,0,0,0|2,0,0]=4 940 B12R1.288 NNCc1ccc(c(c1)C)OC Amb17400210 [1,0,1,0,0,0|2,0,0]=4 941 B12R1.288 NNCc1ccc(c(c1)Cl)OC Amb17401090 [1,0,1,0,0,0|2,0,0]=4 942 B12R1.288 O=CCc1ccc(c(c1)O)OC Amb17089542 [1,0,1,0,0,0|1,0,1]=4 943 B12R1.288 OCCc1ccc(c(c1)Br)OC Amb17249275 [1,0,1,0,0,0|2,0,0]=4 944 B12R1.288 OCCc1ccc(c(c1)C)OC Amb17232591 [1,0,1,0,0,0|2,0,0]=4 945 B12R1.288 OCCc1ccc(c(c1)Cl)OC Amb17234354 [1,0,1,0,0,0|2,0,0]=4 946 B12R1.288 OCCc1ccc(c(c1)F)OC Amb17232737 [1,0,1,0,0,0|2,0,0]=4 947 B12R1.288 OCCc1ccc(c(c1)O)OC Amb17089525 [1,0,1,0,0,0|1,0,0]=3 948 B12R1.288 SCCc1ccc(c(c1)Br)OC Amb17473036 [1,0,1,0,0,0|2,0,0]=4 949 B12R1.288 SCCc1ccc(c(c1)C)OC Amb17400953 [1,0,1,0,0,0|2,0,0]=4 950 B12R1.288 SCCc1ccc(c(c1)Cl)OC Amb17402624 [1,0,1,0,0,0|2,0,0]=4 951 B12R1.288 SCCc1ccc(c(c1)F)OC Amb17401080 [1,0,1,0,0,0|2,0,0]=4 952 B12R1.286 C=CCc1ccc(c(c1)OC)O Amb1211895 [1,0,1,0,0,0|0,0,2]=4 953 B12R1.286 CCCc1cc(C#C)c(O)cc1 Amb25667448 [1,0,1,0,0,0|1,0,1]=4 954 B12R1.286 CCCc1cc(C=O)c(O)cc1 Amb18798282 [1,0,1,0,0,0|2,0,0]=4 955 B12R1.286 CCCc1cc(CC)c(N)cc1 Amb24084044 [1,0,1,0,0,0|2,0,0]=4 956 B12R1.286 CCCc1cc(CC)c(O)cc1 Amb24625381 [1,0,1,0,0,0|1,0,0]=3 957 B12R1.286 CCCc1cc(CN)c(O)cc1 Amb18646360 [1,0,1,0,0,0|2,0,0]=4 958 B12R1.286 CCCc1ccc(O)c(CC)[n]1 Amb25239133 [1,0,1,0,0,0|2,0,0]=4 959 B12R1.286 CCNc1cc(OC)c(Br)cc1 Amb24493016 [1,0,1,0,0,0|2,0,0]=4 960 B12R1.286 CCNc1cc(OC)c(Cl)cc1 Amb25334534 [1,0,1,0,0,0|2,0,0]=4 961 B12R1.286 CCNc1cc(OC)c(F)cc1 Amb25801271 [1,0,1,0,0,0|2,0,0]=4 962 B12R1.286 CCSc1cc(OC)c(Br)cc1 Amb24454645 [1,0,1,0,0,0|2,0,0]=4 963 B12R1.286 CCSc1cc(OC)c(Cl)cc1 Amb25221917 [1,0,1,0,0,0|2,0,0]=4 964 B12R1.286 CCSc1cc(OC)c(I)cc1 Amb24684937 [1,0,1,0,0,0|2,0,0]=4 965 B12R1.286 CCSc1cc(OC)c(N)cc1 Amb24092673 [1,0,1,0,0,0|2,0,0]=4 966 B12R1.286 CC\C=C/1\C=C(OC)C(=O)C=C1 Amb25035007 [1,0,1,0,0,0|0,0,2]=4 967 B12R1.286 CCc1cc(CCN)ccc1Br Amb25214261 [1,0,1,0,0,0|2,0,0]=4 968 B12R1.286 CN=Cc1cc(OC)c(O)cc1 Amb24065707 [1,0,1,0,0,0|1,0,1]=4 969 B12R1.286 CNCc1cc(OC)c(Cl)cc1 Amb25246003 [1,0,1,0,0,0|2,0,0]=4 970 B12R1.286 CNCc1cc(OC)c(F)cc1 Amb25798292 [1,0,1,0,0,0|2,0,0]=4 971 B12R1.286 CNCc1ccc(c(c1)OC)O Amb1115180 [1,0,1,0,0,0|1,0,0]=3 972 B12R1.286 COCc1cc(OC)c(N)cc1 Amb24084547 [1,0,1,0,0,0|2,0,0]=4 973 B12R1.286 COCc1cc(OC)c(O)cc1 Amb18646892 [1,0,1,0,0,0|1,0,0]=3 974 B12R1.286 COc1[n]c(CCN)ccc1F Amb24564863 [1,0,1,0,0,0|2,0,0]=4 975 B12R1.286 COc1cc(CCBr)ccc1Cl Amb24700727 [1,0,1,0,0,0|2,0,0]=4 976 B12R1.286 COc1cc(CCN)[n]cc1F Amb25126035 [1,0,1,0,0,0|2,0,0]=4 977 B12R1.286 COc1cc(CCN)ccc1Br Amb20621486 [1,0,1,0,0,0|1,0,0]=3 978 B12R1.286 COc1cc(CCN)ccc1Br Amb22284372 [1,0,1,0,0,0|1,0,0]=3 979 B12R1.286 COc1cc(CCN)ccc1Cl Amb18909513 [1,0,1,0,0,0|1,0,0]=3 980 B12R1.286 COc1cc(CCN)ccc1F Amb18826047 [1,0,1,0,0,0|1,0,0]=3 981 B12R1.286 COc1cc(CCN)ccc1F Amb22395139 [1,0,1,0,0,0|1,0,0]=3 982 B12R1.286 COc1cc(CCN)ccc1N Amb24756651 [1,0,1,0,0,0|1,0,0]=3 983 B12R1.286 COc1cc(CCO)ccc1Br Amb25280180 [1,0,1,0,0,0|2,0,0]=4 984 B12R1.286 COc1cc(CCO)ccc1F Amb24713679 [1,0,1,0,0,0|2,0,0]=4 985 B12R1.286 COc1cc(CCO)ccc1N Amb25093156 [1,0,1,0,0,0|2,0,0]=4 986 B12R1.286 COc1cc(CNN)ccc1Br Amb24063609 [1,0,1,0,0,0|2,0,0]=4 987 B12R1.286 COc1cc(CNN)ccc1F Amb21954053 [1,0,1,0,0,0|2,0,0]=4 988 B12R1.286 COc1cc(CNN)ccc1F Amb22009048 [1,0,1,0,0,0|2,0,0]=4 989 B12R1.286 COc1cc(CON)ccc1Br Amb24368625 [1,0,1,0,0,0|2,0,0]=4 990 B12R1.286 COc1cc(CON)ccc1I Amb25156630 [1,0,1,0,0,0|2,0,0]=4 991 B12R1.286 COc1cc(ccc1N)OCC Amb24440713 [1,0,1,0,0,0|2,0,0]=4 992 B12R1.286 C\C=C\c1ccc(c(c1)OC)O Amb1215258 [1,0,1,0,0,0|0,0,2]=4 993 B12R1.286 Cc1c[n]c(CCN)cc1OC Amb25315322 [1,0,1,0,0,0|2,0,0]=4 994 B12R1.286 Cc1ccc(CCN)cc1OC Amb18646388 [1,0,1,0,0,0|1,0,0]=3 995 B12R1.286 Cc1ccc(CON)cc1OC Amb24368624 [1,0,1,0,0,0|2,0,0]=4 996 B12R1.286 Cc1ccc(cc1OC)SCC Amb24402266 [1,0,1,0,0,0|2,0,0]=4 997 B12R1.286 NCCc1ccc(O)c(CO)c1 Amb25151118 [1,0,1,0,0,0|2,0,0]=4 998 B12R1.286 NNCc1ccc(c(c1)OC)F Amb10841874 [1,0,1,0,0,0|2,0,0]=4 999 B12R1.286 O=CCc1ccc(c(c1)OC)O Amb13883641 [1,0,1,0,0,0|1,0,1]=4 1000 B12R1.286 OCCc1ccc(c(c1)OC)O Amb2099567 [1,0,1,0,0,0|1,0,0]=3 1001 B12R1.438 CC(C)Sc1cccc(CO)c1 Amb24537866 [1,0,1,0,0,0|2,0,0]=4 1002 B12R1.438 CC(N)Cc1cc(CF)[n]cc1 Amb25243233 [1,0,1,0,0,0|2,0,0]=4 1003 B12R1.438 CC(N)Cc1cc(ccc1)C#C Amb25085005 [1,0,1,0,0,0|1,0,1]=4 1004 B12R1.438 CC(N)Cc1cc(ccc1)C#N Amb24617417 [1,0,1,0,0,0|1,0,1]=4 1005 B12R1.438 CC(N)Cc1cc[n]c(CN)c1 Amb24392945 [1,0,1,0,0,0|2,0,0]=4 1006 B12R1.438 CC(N)Cc1cccc(CO)[n]1 Amb25269843 [1,0,1,0,0,0|1,0,0]=3 1007 B12R1.438 CC(O)Cc1cc(CBr)ccc1 Amb22008290 [1,0,1,0,0,0|2,0,0]=4 1008 B12R1.438 CCc1cc(CC(C)N)ccc1 Amb25719676 [1,0,1,0,0,0|1,0,0]=3 1009 B12R1.438 CCc1cc(C[C@@H](C)O)ccc1 Amb25205044 [1,0,1,0,0,0|2,0,0]=4 1010 B12R1.438 CN(N)Cc1cc(ccc1)OC Amb18563734 [1,0,1,0,0,0|1,0,0]=3 1011 B12R1.438 CN(N)Cc1cc(ccc1)SC Amb25825820 [1,0,1,0,0,0|1,1,0]=4 1012 B12R1.438 COc1cc(ccc1)OC(C)C Amb25356642 [1,0,1,0,0,0|2,0,0]=4 1013 B12R1.438 COc1cc(ccc1)SC(C)C Amb24719225 [1,0,1,0,0,0|2,0,0]=4 1014 B12R1.438 COc1cc(ccc1)SC(C)O Amb24062151 [1,0,1,0,0,0|2,0,0]=4 1015 B12R1.438 COc1cccc(CC(C)N)c1 Amb19341843 [1,0,1,0,0,0|0,0,0]=2 1016 B12R1.438 COc1cccc(C[C@@H](C)O)c1 Amb22896917 [1,0,1,0,0,0|1,0,0]=3 1017 B12R1.438 COc1cccc(C[C@H](C)N)c1 Amb24648850 [1,0,1,0,0,0|0,0,0]=2 1018 B12R1.438 COc1cccc(c1)CC(Cl)C Amb17477587 [1,0,1,0,0,0|1,0,0]=3 1019 B12R1.438 COc1cccc(c1)CC(O)C Amb17477577 [1,0,1,0,0,0|1,0,0]=3 1020 B12R1.438 COc1cccc(c1)NC(C)C Amb13952529 [1,0,1,0,0,0|2,0,0]=4 1021 B12R1.438 CSc1cccc(CC(C)O)c1 Amb25357489 [1,0,1,0,0,0|1,1,0]=4 1022 B12R1.438 C[C@@H](N)Cc1cc(C=C)ccc1 Amb24418910 [1,0,1,0,0,0|1,0,1]=4 1023 B12R1.438 C[C@@H](N)Cc1cc(CO)ccc1 Amb25755462 [1,0,1,0,0,0|0,0,0]=2 1024 B12R1.438 OCc1cccc(CC(F)F)c1 Amb25194913 [1,0,1,0,0,0|2,0,0]=4 1025 B12R1.116 CCCc1ccc(CCC)cc1 Amb22731807 [1,0,1,0,0,0|2,0,0]=4 1026 B12R1.116 CCCc1ccc(cc1)CCN Amb17101793 [1,0,1,0,0,0|2,0,0]=4 1027 B12R1.116 CCCc1ccc(cc1)CCO Amb17232496 [1,0,1,0,0,0|1,0,0]=3 1028 B12R1.116 CCCc1ccc(cc1)CCS Amb17470640 [1,0,1,0,0,0|1,1,0]=4 1029 B12R1.116 CCNc1ccc(CCO)cc1 Amb19011249 [1,0,1,0,0,0|2,0,0]=4 1030 B12R1.116 CCOc1ccc(CCN)cc1 Amb22265796 [1,0,1,0,0,0|1,0,0]=3 1031 B12R1.116 CCSc1ccc(CCO)cc1 Amb18863035 [1,0,1,0,0,0|2,0,0]=4 1032 B12R1.116 NCCc1ccc(CCCl)cc1 Amb24089855 [1,0,1,0,0,0|2,0,0]=4 1033 B12R1.116 NCCc1ccc(CCN)cc1 Amb17777543 [1,0,1,0,0,0|2,0,0]=4 1034 B12R1.116 NCCc1ccc(CCN)cc1 Amb17777752 [1,0,1,0,0,0|2,0,0]=4 1035 B12R1.116 NCCc1ccc(cc1)OCC Amb1131086 [1,0,1,0,0,0|1,0,0]=3 1036 B12R1.116 SCCc1ccc(cc1)OCC Amb17400952 [1,0,1,0,0,0|2,0,0]=4 1037 B12R1.278 CCOc1cc(ccc1)NCC Amb19006183 [1,0,1,0,0,0|2,0,0]=4 1038 B12R1.278 CCOc1cccc(CCN)[n]1 Amb20667713 [1,0,1,0,0,0|2,0,0]=4 1039 B12R1.278 NCCc1cccc(CCN)c1 Amb17777405 [1,0,1,0,0,0|2,0,0]=4 1040 B12R1.278 NCCc1cccc(CCO)c1 Amb17777550 [1,0,1,0,0,0|1,0,0]=3 1041 B12R1.278 OCCc1cccc(c1)OCC Amb17089520 [1,0,1,0,0,0|2,0,0]=4 1042 B12R2.44 Br[Mg]c1ccc2OCOc2c1 Amb17689220 [2,0,0,0,0,0|2,0,0]=4 1043 B12R2.44 Br[Zn]c1cc2OCOc2cc1 Amb22897833 [2,0,0,0,0,0|2,0,0]=4 1044 B12R2.44 C#Cc1cc2OCOc2cc1 Amb22170379 [2,0,0,0,0,0|0,0,2]=4 1045 B12R2.44 C=Cc1cc2OCOc2cc1 Amb22263780 [2,0,0,0,0,0|0,0,2]=4 1046 B12R2.44 C=Nc1cc2OCOc2cc1 Amb25790668 [2,0,0,0,0,0|1,0,1]=4 1047 B12R2.44 CCc1cc2CCOc2cc1 Amb24092860 [2,0,0,0,0,0|1,0,0]=3 1048 B12R2.44 CCc1cc2ccoc2cc1 Amb25780435 [2,0,0,0,0,0|1,0,1]=4 1049 B12R2.44 CCc1cc2occc2cc1 Amb24683803 [2,0,0,0,0,0|1,0,1]=4 1050 B12R2.44 CCc1ccc2c(c1)CCC2 Amb17232014 [2,0,0,0,0,0|2,0,0]=4 1051 B12R2.44 CCc1ccc2c(c1)CCN2 Amb1132682 [2,0,0,0,0,0|2,0,0]=4 1052 B12R2.44 CCc1ccc2c(c1)nco2 Amb17304940 [2,0,0,0,0,0|1,0,1]=4 1053 B12R2.44 CNc1cc2CCOc2cc1 Amb18949282 [2,0,0,0,0,0|2,0,0]=4 1054 B12R2.44 CNc1ccc2OCOc2[n]1 Amb25095176 [2,0,0,0,0,0|2,0,0]=4 1055 B12R2.44 COc1ccc2OCCc2c1 Amb22549565 [2,0,0,0,0,0|2,0,0]=4 1056 B12R2.44 COc1ccc2OCOc2c1 Amb17673128 [2,0,0,0,0,0|1,0,0]=3 1057 B12R2.44 CSc1cc2OCOc2cc1 Amb22263395 [2,0,0,0,0,0|1,0,0]=3 1058 B12R2.44 ClCc1c[n]c2OCOc2c1 Amb24673346 [2,0,0,0,0,0|2,0,0]=4 1059 B12R2.44 ClCc1cc2OCOc2c[n]1 Amb25331709 [2,0,0,0,0,0|2,0,0]=4 1060 B12R2.44 ClCc1ccc2CCOc2c1 Amb25340528 [2,0,0,0,0,0|2,0,0]=4 1061 B12R2.44 ClCc1ccc2c(c1)OCO2 Amb1105052 [2,0,0,0,0,0|1,0,0]=3 1062 B12R2.44 FCc1cc2OCOc2cc1 Amb25169462 [2,0,0,0,0,0|1,0,0]=3 1063 B12R2.44 ICc1cc2OCOc2cc1 Amb25151267 [2,0,0,0,0,0|1,0,0]=3 1064 B12R2.44 I[Zn]c1ccc2c(c1)OCO2 Amb13890850 [2,0,0,0,0,0|2,0,0]=4 1065 B12R2.44 N#Cc1ccc2c(c1)OCO2 Amb1102181 [2,0,0,0,0,0|0,0,2]=4 1066 B12R2.44 NCc1c[n]c2OCOc2c1 Amb25684684 [2,0,0,0,0,0|1,0,0]=3 1067 B12R2.44 NCc1cc2CCNc2cc1 Amb19889133 [2,0,0,0,0,0|2,0,0]=4 1068 B12R2.44 NCc1cc2CCOc2[n]c1 Amb25178659 [2,0,0,0,0,0|2,0,0]=4 1069 B12R2.44 NCc1cc2OCOc2cc1 Amb22757193 [2,0,0,0,0,0|0,0,0]=2 1070 B12R2.44 NCc1cc2OCOc2cc1 Amb23566988 [2,0,0,0,0,0|0,0,0]=2 1071 B12R2.44 NCc1cc2SCOc2cc1 Amb24666841 [2,0,0,0,0,0|0,1,0]=3 1072 B12R2.44 NCc1cc2[n]coc2cc1 Amb18114639 [2,0,0,0,0,0|1,0,1]=4 1073 B12R2.44 NCc1cc2[n]coc2cc1 Amb23399634 [2,0,0,0,0,0|1,0,1]=4 1074 B12R2.44 NCc1cc2ccoc2cc1 Amb22755776 [2,0,0,0,0,0|1,0,1]=4 1075 B12R2.44 NCc1cc2oc[n]c2cc1 Amb18632723 [2,0,0,0,0,0|1,0,1]=4 1076 B12R2.44 NCc1cc2oc[n]c2cc1 Amb22491217 [2,0,0,0,0,0|1,0,1]=4 1077 B12R2.44 NCc1ccc2CCNc2c1 Amb24068186 [2,0,0,0,0,0|2,0,0]=4 1078 B12R2.44 NCc1ccc2CCOc2c1 Amb23412186 [2,0,0,0,0,0|1,0,0]=3 1079 B12R2.44 NCc1ccc2OCCc2[n]1 Amb23455413 [2,0,0,0,0,0|2,0,0]=4 1080 B12R2.44 NCc1ccc2OCOc2[n]1 Amb25352267 [2,0,0,0,0,0|1,0,0]=3 1081 B12R2.44 NCc1ccc2c(c1)CCN2 Amb16186700 [2,0,0,0,0,0|2,0,0]=4 1082 B12R2.44 NCc1ccc2c(c1)OCO2 Amb1102008 [2,0,0,0,0,0|0,0,0]=2 1083 B12R2.44 NCc1ccc2c(c1)occ2 Amb13951983 [2,0,0,0,0,0|1,0,1]=4 1084 B12R2.44 NNc1cc2CCOc2cc1 Amb22011831 [2,0,0,0,0,0|2,0,0]=4 1085 B12R2.44 NNc1ccc2CCOc2c1 Amb23571502 [2,0,0,0,0,0|2,0,0]=4 1086 B12R2.44 NNc1ccc2c(c1)OCO2 Amb13948975 [2,0,0,0,0,0|1,0,0]=3 1087 B12R2.44 NOc1cc2OCOc2cc1 Amb25254771 [2,0,0,0,0,0|1,0,0]=3 1088 B12R2.44 O=Cc1ccc2c(c1)OCO2 Amb1873767 [2,0,0,0,0,0|1,0,1]=4 1089 B12R2.44 O=Nc1cc2OCOc2cc1 Amb25719400 [2,0,0,0,0,0|2,0,0]=4 1090 B12R2.44 OCc1c[n]c2OCOc2c1 Amb24060668 [2,0,0,0,0,0|2,0,0]=4 1091 B12R2.44 OCc1cc2OCSc2cc1 Amb24536120 [2,0,0,0,0,0|1,1,0]=4 1092 B12R2.44 OCc1ccc2CCOc2c1 Amb19516191 [2,0,0,0,0,0|2,0,0]=4 1093 B12R2.44 OCc1ccc2c(c1)CCO2 Amb2445141 [2,0,0,0,0,0|2,0,0]=4 1094 B12R2.44 SCc1cc2CCOc2cc1 Amb24538204 [2,0,0,0,0,0|2,0,0]=4 1095 B12R2.44 SCc1ccc2c(c1)OCO2 Amb17400252 [2,0,0,0,0,0|1,0,0]=3 1096 B12R2.44 [C-]#[N+]c1ccc2c(c1)OCO2 Amb1981070 [2,0,0,0,0,0|1,0,1]=4 1097 B14R1.140 CCOc1ccc(CC(C)N)cc1F Amb18894562 [0,1,1,0,0,0|1,0,0]=3 1098 B14R1.140 Cc1cc(CC(C)N)ccc1OCC Amb18894339 [0,1,1,0,0,0|1,0,0]=3 1099 B14R1.2284 COc1cc(Cl)c(CC(C)N)cc1Cl Amb18246288 [0,1,1,0,0,0|1,0,0]=3 1100 B14R1.2284 Cc1cc(OC)c(C)cc1CC(C)N Amb18244046 [0,1,1,0,0,0|1,0,0]=3 1101 B14R1.2284 Cc1cc(OC)c(Cl)cc1CC(C)N Amb18896333 [0,1,1,0,0,0|1,0,0]=3 1102 B14R1.3275 CC(C)(F)Cc1ccc(OC)c(Br)c1 Amb25222653 [0,1,1,0,0,0|2,0,0]=4 1103 B14R1.3275 CC(C)(N)Cc1ccc(SC)c(F)c1 Amb24506447 [0,1,1,0,0,0|1,1,0]=4 1104 B14R1.3275 COc1ccc(cc1Br)CC(N)(C)C Amb17415259 [0,1,1,0,0,0|1,0,0]=3 1105 B14R1.3275 COc1ccc(cc1Br)CC(O)(C)C Amb17415513 [0,1,1,0,0,0|2,0,0]=4 1106 B14R1.3275 COc1ccc(cc1C)CC(N)(C)C Amb17401810 [0,1,1,0,0,0|1,0,0]=3 1107 B14R1.3275 COc1ccc(cc1C)CC(O)(C)C Amb17401911 [0,1,1,0,0,0|2,0,0]=4 1108 B14R1.3275 COc1ccc(cc1Cl)CC(N)(C)C Amb17404307 [0,1,1,0,0,0|1,0,0]=3 1109 B14R1.3275 COc1ccc(cc1Cl)CC(O)(C)C Amb17404379 [0,1,1,0,0,0|2,0,0]=4 1110 B14R1.3275 COc1ccc(cc1F)CC(N)(C)C Amb17402200 [0,1,1,0,0,0|1,0,0]=3 1111 B14R1.3275 COc1ccc(cc1F)CC(O)(C)C Amb17402249 [0,1,1,0,0,0|2,0,0]=4 1112 B14R1.3275 COc1ccc(cc1O)OC(C)(C)C Amb25837410 [0,1,1,0,0,0|2,0,0]=4 1113 B14R1.3275 Cc1cc(CC(C)(C)Br)ccc1OC Amb18549042 [0,1,1,0,0,0|2,0,0]=4 1114 B14R1.3276 CCC(O)Cc1ccc(OC)c(F)c1 Amb18325514 [0,1,1,0,0,0|2,0,0]=4 1115 B14R1.3276 CNC(C)Cc1ccc(OC)c(N)c1 Amb18550508 [0,1,1,0,0,0|1,0,0]=3 1116 B14R1.3276 COC(=O)Cc1ccc(OC)c(O)c1 Amb18652305 [0,1,1,0,0,0|1,0,1]=4 1117 B14R1.3276 COc1ccc(CC(N)C#N)cc1Br Amb23557160 [0,1,1,0,0,0|1,0,1]=4 1118 B14R1.3276 COc1ccc(CC(N)C#N)cc1Cl Amb23557158 [0,1,1,0,0,0|1,0,1]=4 1119 B14R1.3276 COc1ccc(CC(N)C#N)cc1F Amb23557159 [0,1,1,0,0,0|1,0,1]=4 1120 B14R1.3276 COc1ccc(CC(N)CO)cc1Cl Amb18569844 [0,1,1,0,0,0|1,0,0]=3 1121 B14R1.3276 COc1ccc(CC(N)CO)cc1F Amb18566112 [0,1,1,0,0,0|1,0,0]=3 1122 B14R1.3276 COc1ccc(C[C@H](N)CO)cc1O Amb22233146 [0,1,1,0,0,0|0,0,0]=2 1123 B14R1.3276 C\C(\Cc1cc(O)c(cc1)OC)=N/O Amb25367294 [0,1,1,0,0,0|0,0,2]=4 1124 B14R1.3276 Cc1cc(CC(Br)CC)ccc1OC Amb18049419 [0,1,1,0,0,0|2,0,0]=4 1125 B14R1.3276 Cc1cc(CC(N)CO)ccc1OC Amb18565715 [0,1,1,0,0,0|1,0,0]=3 1126 B14R1.3276 Cc1cc(ccc1OC)NC(C)CN Amb24345652 [0,1,1,0,0,0|2,0,0]=4 1127 B14R1.3276 NCC(Cc1ccc(c(c1)C)OC)O Amb17236220 [0,1,1,0,0,0|2,0,0]=4 1128 B14R1.3276 NCC(Cc1ccc(c(c1)Cl)OC)O Amb17242156 [0,1,1,0,0,0|2,0,0]=4 1129 B14R1.3276 NCC(Cc1ccc(c(c1)F)OC)O Amb17236907 [0,1,1,0,0,0|2,0,0]=4 1130 B14R1.3276 OCC(Cc1ccc(c(c1)O)OC)N Amb17062709 [0,1,1,0,0,0|0,0,0]=2 1131 B14R1.3651 CC(Br)Cc1cc(OC)c(cc1)OC Amb18548901 [0,1,1,0,0,0|1,0,0]=3 1132 B14R1.3651 CCc1cc(CC(C)N)ccc1OC Amb18894336 [0,1,1,0,0,0|1,0,0]=3 1133 B14R1.3651 CCc1cc(CN(C)N)ccc1OC Amb18565562 [0,1,1,0,0,0|2,0,0]=4 1134 B14R1.3651 CN(N)Cc1cc(OC)c(cc1)OC Amb18565846 [0,1,1,0,0,0|1,0,0]=3 1135 B14R1.3651 COc1cc(ccc1OC)CC(N)C Amb2137261 [0,1,1,0,0,0|0,0,0]=2 1136 B14R1.3651 COc1ccc(CC(C)N)cc1C#N Amb25181647 [0,1,1,0,0,0|1,0,0]=3 1137 B14R1.3651 COc1ccc(CN(C)C)cc1CO Amb19649539 [0,1,1,0,0,0|2,0,0]=4 1138 B14R1.3651 COc1ccc(C[C@@H](C)N)cc1C#N Amb25665157 [0,1,1,0,0,0|1,0,0]=3 1139 B14R1.3651 C[C@@H](N)Cc1cc(OC)c(cc1)OC Amb22747837 [0,1,1,0,0,0|0,0,0]=2 1140 B14R1.3651 C[C@@H](O)Cc1cc(OC)c(cc1)OC Amb20241605 [0,1,1,0,0,0|1,0,0]=3 1141 B14R1.3651 C[C@H](O)Cc1cc(OC)c(cc1)OC Amb19889766 [0,1,1,0,0,0|1,0,0]=3 1142 B14R1.3652 CC(=O)C(N)c1cc(O)c(cc1)OC Amb25858045 [0,1,1,0,0,0|1,0,1]=4 1143 B14R1.3652 CC(C(C)Cl)c1ccc(OC)c(F)c1 Amb25806907 [0,1,1,0,0,0|2,0,0]=4 1144 B14R1.3652 CC(C(C)N)c1ccc(OC)c(F)c1 Amb18812268 [0,1,1,0,0,0|1,0,0]=3 1145 B14R1.3652 CC(C)C(Cl)c1cc(Br)c(cc1)OC Amb25737770 [0,1,1,0,0,0|2,0,0]=4 1146 B14R1.3652 CC(C)C(N)c1cc(I)c(cc1)OC Amb25804608 [0,1,1,0,0,0|2,0,0]=4 1147 B14R1.3652 CC(C)C(N)c1cc(N)c(cc1)OC Amb24351151 [0,1,1,0,0,0|2,0,0]=4 1148 B14R1.3652 CC(C)[C@@H](N)c1cc(Cl)c(cc1)OC Amb24461718 [0,1,1,0,0,0|2,0,0]=4 1149 B14R1.3652 CC(C)[C@@H](N)c1cc(I)c(cc1)OC Amb25805322 [0,1,1,0,0,0|2,0,0]=4 1150 B14R1.3652 CC(C)[C@@H](N)c1cc(N)c(cc1)OC Amb25807967 [0,1,1,0,0,0|2,0,0]=4 1151 B14R1.3652 CC(C)[C@@H](N)c1cc(O)c(c[n]1)OC Amb25756587 [0,1,1,0,0,0|2,0,0]=4 1152 B14R1.3652 CC(C)[C@H](N)c1cc(Br)c(cc1)OC Amb25857008 [0,1,1,0,0,0|2,0,0]=4 1153 B14R1.3652 CC(C)[C@H](N)c1cc(F)c(cc1)OC Amb25789962 [0,1,1,0,0,0|2,0,0]=4 1154 B14R1.3652 CC(C)[C@H](N)c1cc(O)c(c[n]1)OC Amb25818608 [0,1,1,0,0,0|2,0,0]=4 1155 B14R1.3652 CC(C)[C@H](N)c1cc(O)c(cc1)OC Amb24359869 [0,1,1,0,0,0|1,0,0]=3 1156 B14R1.3652 CC(N)C(N)c1cc(F)c(cc1)OC Amb24550272 [0,1,1,0,0,0|1,0,0]=3 1157 B14R1.3652 CC(N)C(O)c1cc(Br)c(cc1)OC Amb18588182 [0,1,1,0,0,0|1,0,0]=3 1158 B14R1.3652 CC(N)C(O)c1cc(Cl)c(cc1)OC Amb18066980 [0,1,1,0,0,0|1,0,0]=3 1159 B14R1.3652 CC(N)C(O)c1cc(F)c(cc1)OC Amb18566116 [0,1,1,0,0,0|1,0,0]=3 1160 B14R1.3652 CC(N)C(O)c1cc(F)c(cc1)SC Amb25312560 [0,1,1,0,0,0|1,1,0]=4 1161 B14R1.3652 CC(O)C(N)c1cc(Cl)c(cc1)OC Amb18170577 [0,1,1,0,0,0|2,0,0]=4 1162 B14R1.3652 CC(O)C(N)c1cc(F)c(cc1)OC Amb25814627 [0,1,1,0,0,0|2,0,0]=4 1163 B14R1.3652 CC(O)C(N)c1cc(I)c(cc1)OC Amb25301370 [0,1,1,0,0,0|2,0,0]=4 1164 B14R1.3652 CC(O)C(N)c1cc(O)c(cc1)OC Amb25064324 [0,1,1,0,0,0|1,0,0]=3 1165 B14R1.3652 CC(O)C(O)c1cc(Cl)c(cc1)OC Amb25819739 [0,1,1,0,0,0|2,0,0]=4 1166 B14R1.3652 CC(O)C(O)c1cc(F)c(cc1)OC Amb25777988 [0,1,1,0,0,0|2,0,0]=4 1167 B14R1.3652 CC(O)[C@@H](N)c1cc(N)c(cc1)OC Amb24337117 [0,1,1,0,0,0|2,0,0]=4 1168 B14R1.3652 CC(O)[C@@H](N)c1cc(O)c(cc1)OC Amb25687609 [0,1,1,0,0,0|1,0,0]=3 1169 B14R1.3652 CC(O)[C@H](N)c1cc(F)c(cc1)OC Amb25815633 [0,1,1,0,0,0|2,0,0]=4 1170 B14R1.3652 COc1ccc(cc1Br)C(=O)C(N)C Amb17196871 [0,1,1,0,0,0|1,0,1]=4 1171 B14R1.3652 COc1ccc(cc1Br)C(=O)[C@H](C)N Amb24362688 [0,1,1,0,0,0|1,0,1]=4 1172 B14R1.3652 COc1ccc(cc1Br)C(C(C)C)O Amb17196936 [0,1,1,0,0,0|2,0,0]=4 1173 B14R1.3652 COc1ccc(cc1C)C(C(C)C)Cl Amb17140748 [0,1,1,0,0,0|2,0,0]=4 1174 B14R1.3652 COc1ccc(cc1C)C(C(C)C)O Amb17139479 [0,1,1,0,0,0|2,0,0]=4 1175 B14R1.3652 COc1ccc(cc1C)C(C(N)C)O Amb17139564 [0,1,1,0,0,0|1,0,0]=3 1176 B14R1.3652 COc1ccc(cc1Cl)C(=O)C(N)C Amb17195169 [0,1,1,0,0,0|1,0,1]=4 1177 B14R1.3652 COc1ccc(cc1Cl)C(=O)[C@H](C)N Amb25783788 [0,1,1,0,0,0|1,0,1]=4 1178 B14R1.3652 COc1ccc(cc1Cl)C(C(C)C)O Amb17195194 [0,1,1,0,0,0|2,0,0]=4 1179 B14R1.3652 COc1ccc(cc1F)C(=O)C(N)C Amb17194760 [0,1,1,0,0,0|1,0,1]=4 1180 B14R1.3652 COc1ccc(cc1F)C(=O)[C@H](C)N Amb24433978 [0,1,1,0,0,0|1,0,1]=4 1181 B14R1.3652 COc1ccc(cc1F)C(C(C)C)O Amb17194773 [0,1,1,0,0,0|2,0,0]=4 1182 B14R1.3652 COc1ccc(cc1O)C(=O)C(C)N Amb24552345 [0,1,1,0,0,0|0,0,1]=3 1183 B14R1.3652 COc1ccc(cc1O)C(C(=O)N)N Amb17337068 [0,1,1,0,0,0|1,0,1]=4 1184 B14R1.3652 COc1ccc(cc1O)C(O)C(N)=O Amb19082251 [0,1,1,0,0,0|1,0,1]=4 1185 B14R1.3652 C[C@@H](N)[C@@H](O)c1cc(Cl)c(cc1)OC Amb24420342 [0,1,1,0,0,0|1,0,0]=3 1186 B14R1.3652 C[C@@H](N)[C@@H](O)c1cc(O)c(cc1)OC Amb24595942 [0,1,1,0,0,0|0,0,0]=2 1187 B14R1.3652 C[C@@H](N)[C@H](O)c1cc(Cl)c(cc1)OC Amb25246722 [0,1,1,0,0,0|1,0,0]=3 1188 B14R1.3652 C[C@@H](O)[C@@H](N)c1cc(I)c(cc1)OC Amb24737914 [0,1,1,0,0,0|2,0,0]=4 1189 B14R1.3652 C[C@@H](O)[C@@H](N)c1cc(O)c(cc1)OC Amb24625844 [0,1,1,0,0,0|1,0,0]=3 1190 B14R1.3652 C[C@@H](O)[C@H](N)c1cc(Br)c(cc1)OC Amb24382487 [0,1,1,0,0,0|2,0,0]=4 1191 B14R1.3652 C[C@@H](O)[C@H](N)c1cc(N)c(cc1)OC Amb25793600 [0,1,1,0,0,0|2,0,0]=4 1192 B14R1.3652 C[C@H](N)[C@@H](N)c1cc(Br)c(cc1)OC Amb25264963 [0,1,1,0,0,0|1,0,0]=3 1193 B14R1.3652 C[C@H](N)[C@@H](N)c1cc(F)c(cc1)OC Amb25222673 [0,1,1,0,0,0|1,0,0]=3 1194 B14R1.3652 C[C@H](N)[C@H](O)c1cc(O)c(cc1)OC Amb24558457 [0,1,1,0,0,0|0,0,0]=2 1195 B14R1.3652 C[C@H](O)[C@@H](N)c1cc(F)c(cc1)OC Amb25126158 [0,1,1,0,0,0|2,0,0]=4 1196 B14R1.3652 C[C@H](O)[C@@H](N)c1cc(N)c(cc1)OC Amb24521220 [0,1,1,0,0,0|2,0,0]=4 1197 B14R1.3652 C[C@H](O)[C@@H](N)c1cc(O)c(cc1)OC Amb25104802 [0,1,1,0,0,0|1,0,0]=3 1198 B14R1.3652 C[C@H](O)[C@H](N)c1cc(Br)c(cc1)OC Amb24336390 [0,1,1,0,0,0|2,0,0]=4 1199 B14R1.3652 C[C@H](O)[C@H](N)c1cc(F)c(cc1)OC Amb25749787 [0,1,1,0,0,0|2,0,0]=4 1200 B14R1.3652 C[C@H](O)[C@H](N)c1cc(I)c(cc1)OC Amb24590631 [0,1,1,0,0,0|2,0,0]=4 1201 B14R1.3652 C[C@H](O)[C@H](N)c1cc(N)c(cc1)OC Amb24761353 [0,1,1,0,0,0|2,0,0]=4 1202 B14R1.3652 C[C@H](O)[C@H](N)c1cc(O)c(cc1)OC Amb25185449 [0,1,1,0,0,0|1,0,0]=3 1203 B14R1.3652 Cc1cc(ccc1OC)C(N)C(C)N Amb24542836 [0,1,1,0,0,0|1,0,0]=3 1204 B14R1.3652 Cc1cc(ccc1OC)C(N)C(C)O Amb18189319 [0,1,1,0,0,0|2,0,0]=4 1205 B14R1.3652 Cc1cc(ccc1OC)[C@@H](N)C(C)C Amb24763712 [0,1,1,0,0,0|2,0,0]=4 1206 B14R1.3652 Cc1cc(ccc1OC)[C@@H](N)[C@@H](C)O Amb24433381 [0,1,1,0,0,0|2,0,0]=4 1207 B14R1.3652 Cc1cc(ccc1OC)[C@H](N)C(C)C Amb25814385 [0,1,1,0,0,0|2,0,0]=4 1208 B14R1.3652 Cc1cc(ccc1OC)[C@H](N)[C@@H](C)O Amb24390779 [0,1,1,0,0,0|2,0,0]=4 1209 B14R1.3652 Cc1cc(ccc1OC)[C@H](N)[C@H](C)O Amb24394392 [0,1,1,0,0,0|2,0,0]=4 1210 B14R1.3662 COc1ccc(CC(C)N)c(Br)c1O Amb24743521 [0,1,1,0,0,0|0,0,0]=2 1211 B14R1.3662 COc1ccc(CC(C)N)c(F)c1F Amb25835573 [0,1,1,0,0,0|1,0,0]=3 1212 B14R1.3662 Cc1c(CC(C)N)ccc(OC)c1C Amb18894340 [0,1,1,0,0,0|1,0,0]=3 1213 B14R1.5801 CC(N)Cc1ccc(c(O)c1)[N+]([O-])=O Amb25775283 [0,1,1,0,0,0|2,0,0]=4 1214 B14R1.5801 CN(C)c1ccc(CC(C)N)cc1Br Amb25028964 [0,1,1,0,0,0|2,0,0]=4 1215 B14R1.12535 COc1c(C)cc(CC(C)N)cc1C Amb19051184 [0,1,1,0,0,0|1,0,0]=3 1216 B14R1.12535 COc1c(C)cc(CC(C)O)cc1C Amb25052266 [0,1,1,0,0,0|2,0,0]=4 1217 B14R1.12535 COc1c(C)cc(C[C@@H](C)O)cc1C Amb22896925 [0,1,1,0,0,0|2,0,0]=4 1218 B14R1.12535 COc1c(Cl)cc(CC(C)N)cc1Cl Amb25679122 [0,1,1,0,0,0|1,0,0]=3 1219 B14R1.12535 COc1c(N)cc(CC(C)C)cc1N Amb25292288 [0,1,1,0,0,0|2,0,0]=4 1220 B14R1.12535 COc1c(O)cc(CC(C)N)cc1O Amb25672639 [0,1,1,0,0,0|0,0,0]=2 1221 B14R1.12535 Cc1cc(CC(C)N)cc(Cl)c1OC Amb24728234 [0,1,1,0,0,0|1,0,0]=3 1222 B14R1.41 CC(=O)C(N)c1cc(OC)c(O)cc1 Amb24655786 [0,1,1,0,0,0|1,0,1]=4 1223 B14R1.41 CC(=O)C(O)c1ccc(O)c(c1)OC Amb18652312 [0,1,1,0,0,0|1,0,1]=4 1224 B14R1.41 CC(=O)[C@H](O)c1ccc(O)c(c1)OC Amb24706856 [0,1,1,0,0,0|1,0,1]=4 1225 B14R1.41 CC(C(C)Br)c1cc(OC)c(Cl)cc1 Amb24555246 [0,1,1,0,0,0|2,0,0]=4 1226 B14R1.41 CC(C(C)N)c1cc(OC)c(Cl)cc1 Amb24471136 [0,1,1,0,0,0|1,0,0]=3 1227 B14R1.41 CC(C)C(Cl)c1ccc(Cl)c(c1)OC Amb24476047 [0,1,1,0,0,0|2,0,0]=4 1228 B14R1.41 CC(C)C(N)c1ccc(N)c(c1)OC Amb25255354 [0,1,1,0,0,0|2,0,0]=4 1229 B14R1.41 CC(C)C(O)c1cc(OC)c(F)cc1 Amb24452874 [0,1,1,0,0,0|2,0,0]=4 1230 B14R1.41 CC(C)[C@@H](N)c1cc(OC)c(F)cc1 Amb25679687 [0,1,1,0,0,0|2,0,0]=4 1231 B14R1.41 CC(C)[C@@H](N)c1ccc(N)c(c1)OC Amb25084574 [0,1,1,0,0,0|2,0,0]=4 1232 B14R1.41 CC(C)[C@H](N)c1cc(OC)c(Br)cc1 Amb25668221 [0,1,1,0,0,0|2,0,0]=4 1233 B14R1.41 CC(C)[C@H](N)c1cc(OC)c(Cl)cc1 Amb25040682 [0,1,1,0,0,0|2,0,0]=4 1234 B14R1.41 CC(C)[C@H](N)c1ccc(N)c(c1)OC Amb25185691 [0,1,1,0,0,0|2,0,0]=4 1235 B14R1.41 CC(N)C(N)c1cc(OC)c(O)cc1 Amb24760763 [0,1,1,0,0,0|0,0,0]=2 1236 B14R1.41 CC(N)C(O)c1cc(OC)c(Cl)cc1 Amb24542785 [0,1,1,0,0,0|1,0,0]=3 1237 B14R1.41 CC(N)C(O)c1cc(OC)c(F)c[n]1 Amb25212504 [0,1,1,0,0,0|2,0,0]=4 1238 B14R1.41 CC(O)C(N)c1cc(OC)c(Br)cc1 Amb25070767 [0,1,1,0,0,0|2,0,0]=4 1239 B14R1.41 CC(O)C(N)c1cc(OC)c(Cl)cc1 Amb25839369 [0,1,1,0,0,0|2,0,0]=4 1240 B14R1.41 CC(O)C(N)c1cc(OC)c(I)cc1 Amb25201546 [0,1,1,0,0,0|2,0,0]=4 1241 B14R1.41 CC(O)C(N)c1ccc(N)c(c1)OC Amb24729598 [0,1,1,0,0,0|2,0,0]=4 1242 B14R1.41 CC(O)[C@@H](N)c1ccc(N)c(c1)OC Amb25815530 [0,1,1,0,0,0|2,0,0]=4 1243 B14R1.41 CC(O)[C@H](N)c1cc(OC)c(Br)cc1 Amb25352712 [0,1,1,0,0,0|2,0,0]=4 1244 B14R1.41 CC(O)[C@H](N)c1cc(OC)c(F)cc1 Amb25747796 [0,1,1,0,0,0|2,0,0]=4 1245 B14R1.41 CC(S)C(O)c1ccc(O)c(c1)OC Amb25735796 [0,1,1,0,0,0|1,0,0]=3 1246 B14R1.41 COc1cc(ccc1Cl)C(=O)C(C)N Amb25265191 [0,1,1,0,0,0|1,0,1]=4 1247 B14R1.41 COc1cc(ccc1O)C(=O)C(C)Cl Amb18056264 [0,1,1,0,0,0|1,0,1]=4 1248 B14R1.41 COc1cc(ccc1O)C(=O)C(C)O Amb22828178 [0,1,1,0,0,0|1,0,1]=4 1249 B14R1.41 COc1cc(ccc1O)C(=O)[C@@H](C)O Amb24434597 [0,1,1,0,0,0|1,0,1]=4 1250 B14R1.41 COc1cc(ccc1O)C(=O)[C@H](C)O Amb24752463 [0,1,1,0,0,0|1,0,1]=4 1251 B14R1.41 COc1cc(ccc1O)C(C(=O)N)N Amb17337067 [0,1,1,0,0,0|1,0,1]=4 1252 B14R1.41 COc1cc(ccc1O)C(N)C(N)=S Amb25714555 [0,1,1,0,0,0|1,0,1]=4 1253 B14R1.41 COc1cc(ccc1O)C(O)C(F)F Amb25752875 [0,1,1,0,0,0|2,0,0]=4 1254 B14R1.41 COc1cc(ccc1O)C(O)C(N)=N Amb24651025 [0,1,1,0,0,0|1,0,1]=4 1255 B14R1.41 COc1cc(ccc1O)[C@@H](N)C(F)F Amb24402434 [0,1,1,0,0,0|2,0,0]=4 1256 B14R1.41 C[C@@H](N)C(O)c1cc(OC)c(F)cc1 Amb25142007 [0,1,1,0,0,0|1,0,0]=3 1257 B14R1.41 C[C@@H](N)[C@@H](O)c1ccc(O)c(c1)OC Amb25814871 [0,1,1,0,0,0|0,0,0]=2 1258 B14R1.41 C[C@@H](N)[C@H](O)c1cc(OC)c(N)cc1 Amb24542672 [0,1,1,0,0,0|1,0,0]=3 1259 B14R1.41 C[C@@H](N)[C@H](O)c1ccc(O)c(CO)c1 Amb24664265 [0,1,1,0,0,0|2,0,0]=4 1260 B14R1.41 C[C@@H](O)[C@@H](N)c1cc(OC)c(Br)cc1 Amb25716032 [0,1,1,0,0,0|2,0,0]=4 1261 B14R1.41 C[C@@H](O)[C@@H](N)c1cc(OC)c(I)cc1 Amb25834614 [0,1,1,0,0,0|2,0,0]=4 1262 B14R1.41 C[C@@H](O)[C@@H](N)c1cc(OC)c(O)cc1 Amb25757014 [0,1,1,0,0,0|1,0,0]=3 1263 B14R1.41 C[C@@H](O)[C@@H](O)c1ccc(O)c(c1)OC Amb24107167 [0,1,1,0,0,0|1,0,0]=3 1264 B14R1.41 C[C@@H](O)[C@H](N)c1cc(OC)c(Br)cc1 Amb24413875 [0,1,1,0,0,0|2,0,0]=4 1265 B14R1.41 C[C@@H](O)[C@H](N)c1cc(OC)c(Cl)cc1 Amb25055776 [0,1,1,0,0,0|2,0,0]=4 1266 B14R1.41 C[C@@H](O)[C@H](N)c1cc(OC)c(I)cc1 Amb24383216 [0,1,1,0,0,0|2,0,0]=4 1267 B14R1.41 C[C@@H](O)[C@H](N)c1cc(OC)c(O)cc1 Amb25167704 [0,1,1,0,0,0|1,0,0]=3 1268 B14R1.41 C[C@H](N)[C@@H](N)c1cc(OC)c(F)cc1 Amb24542670 [0,1,1,0,0,0|1,0,0]=3 1269 B14R1.41 C[C@H](N)[C@@H](O)c1cc(OC)c(Cl)cc1 Amb25288567 [0,1,1,0,0,0|1,0,0]=3 1270 B14R1.41 C[C@H](N)[C@@H](O)c1ccc(O)c(c1)OC Amb25684832 [0,1,1,0,0,0|0,0,0]=2 1271 B14R1.41 C[C@H](O)[C@@H](N)c1cc(OC)c(Br)cc1 Amb25775235 [0,1,1,0,0,0|2,0,0]=4 1272 B14R1.41 C[C@H](O)[C@@H](N)c1cc(OC)c(F)cc1 Amb25749791 [0,1,1,0,0,0|2,0,0]=4 1273 B14R1.41 C[C@H](O)[C@@H](N)c1ccc(N)c(c1)OC Amb24760056 [0,1,1,0,0,0|2,0,0]=4 1274 B14R1.41 C[C@H](O)[C@H](N)c1cc(OC)c(F)cc1 Amb25749786 [0,1,1,0,0,0|2,0,0]=4 1275 B14R1.41 C[C@H](O)[C@H](N)c1ccc(N)c(c1)OC Amb25061924 [0,1,1,0,0,0|2,0,0]=4 1276 B14R1.41 Cc1ccc(cc1OC)[C@@H](N)C(C)C Amb25101476 [0,1,1,0,0,0|2,0,0]=4 1277 B14R1.41 Cc1ccc(cc1OC)[C@@H](N)[C@@H](C)O Amb25324284 [0,1,1,0,0,0|2,0,0]=4 1278 B14R1.41 Cc1ccc(cc1OC)[C@@H](N)[C@H](C)O Amb25814582 [0,1,1,0,0,0|2,0,0]=4 1279 B14R1.41 Cc1ccc(cc1OC)[C@H](N)C(C)C Amb25294395 [0,1,1,0,0,0|2,0,0]=4 1280 B14R1.41 Cc1ccc(cc1OC)[C@H](N)[C@H](C)N Amb24595955 [0,1,1,0,0,0|1,0,0]=3 1281 B14R1.343 COc1cc(CC(=O)C)cc(c1O)N Amb17477593 [0,1,1,0,0,0|1,0,1]=4 1282 B14R1.343 COc1cc(CC(C)N)cc(Cl)c1O Amb24438801 [0,1,1,0,0,0|0,0,0]=2 1283 B14R1.343 COc1cc(CC(C)N)cc(F)c1F Amb24638969 [0,1,1,0,0,0|1,0,0]=3 1284 B14R1.343 COc1cc(CC(C)N)cc(F)c1O Amb25859268 [0,1,1,0,0,0|0,0,0]=2 1285 B14R1.343 COc1cc(CC(C)N)cc(I)c1O Amb24451619 [0,1,1,0,0,0|0,0,0]=2 1286 B14R1.343 COc1cc(CC(C)N)cc(O)c1O Amb24745648 [0,1,1,0,0,0|0,0,0]=2 1287 B14R1.343 COc1cc(CC(N)=N)cc(Br)c1O Amb24758851 [0,1,1,0,0,0|1,0,1]=4 1288 B14R1.343 COc1cc(CN(C)C)cc(Br)c1O Amb25777545 [0,1,1,0,0,0|2,0,0]=4 1289 B14R1.343 COc1cc(CN(C)C)cc(F)c1O Amb18130586 [0,1,1,0,0,0|2,0,0]=4 1290 B14R1.343 Cc1cc(CN(C)C)cc(OC)c1O Amb18652210 [0,1,1,0,0,0|2,0,0]=4 1291 B14R1.705 CC(=O)c1cc(CC(C)C)ccc1O Amb24615628 [0,1,1,0,0,0|2,0,0]=4 1292 B14R1.705 CC(N)Cc1ccc(O)c(c1)C(N)=O Amb25066517 [0,1,1,0,0,0|2,0,0]=4 1293 B14R1.705 CC(N)Cc1ccc(O)c(c1)C(O)=O Amb25814341 [0,1,1,0,0,0|2,0,0]=4 1294 B14R1.705 C[C@H](N)Cc1cc(c(O)cc1)[N+]([O-])=O Amb25278493 [0,1,1,0,0,0|2,0,0]=4 1295 B14R1.705 C[C@H](N)Cc1ccc(O)c(c1)C(N)=O Amb25857905 [0,1,1,0,0,0|2,0,0]=4 1296 B14R1.881 COc1cc(CC(C)N)c(Br)cc1Br Amb25141005 [0,1,1,0,0,0|1,0,0]=3 1297 B14R1.881 COc1cc(CC(C)N)c(O)cc1Br Amb24704403 [0,1,1,0,0,0|1,0,0]=3 1298 B14R1.881 COc1cc(C[C@H](C)N)c(Br)cc1Br Amb24368631 [0,1,1,0,0,0|1,0,0]=3 1299 B14R1.881 Cc1cc(N)c(cc1NC(C)N)OC Amb24433437 [0,1,1,0,0,0|2,0,0]=4 1300 B14R1.881 Cc1cc(O)c(CC(C)N)cc1OC Amb25708411 [0,1,1,0,0,0|1,0,0]=3 1301 B14R1.881 Cc1cc(O)c(C[C@@H](C)N)cc1OC Amb25374103 [0,1,1,0,0,0|1,0,0]=3 1302 B14R1.3405 CNC(Cc1ccc(c(c1)OC)O)C Amb17615121 [0,1,1,0,0,0|0,0,0]=2 1303 B14R1.3405 COC(=O)Cc1cc(OC)c(O)cc1 Amb18652307 [0,1,1,0,0,0|1,0,1]=4 1304 B14R1.3405 COc1cc(CC(=O)NN)ccc1O Amb24408327 [0,1,1,0,0,0|1,0,1]=4 1305 B14R1.3405 COc1cc(CC(C)NO)ccc1O Amb24103305 [0,1,1,0,0,0|0,0,0]=2 1306 B14R1.3405 COc1cc(C[C@H](N)CO)ccc1O Amb22233147 [0,1,1,0,0,0|0,0,0]=2 1307 B14R1.3405 COc1cc(ccc1Cl)NC(C)CN Amb25033544 [0,1,1,0,0,0|2,0,0]=4 1308 B14R1.3405 C\C(\Cc1cc(OC)c(O)cc1)=N/C Amb25320184 [0,1,1,0,0,0|0,0,2]=4 1309 B14R1.3405 OCC(Cc1ccc(c(c1)OC)O)N Amb17062708 [0,1,1,0,0,0|0,0,0]=2 1310 B14R1.3412 CC(C)(N)Cc1cc(OC)c(Br)cc1 Amb25064149 [0,1,1,0,0,0|1,0,0]=3 1311 B14R1.3412 CC(C)(N)Cc1cc(OC)c(O)cc1 Amb18130201 [0,1,1,0,0,0|0,0,0]=2 1312 B14R1.3412 COc1cc(ccc1O)OC(C)(C)C Amb25737517 [0,1,1,0,0,0|2,0,0]=4 1313 B14R1.4106 COc1c(C)c[n]c(CC(C)N)c1C Amb18993575 [0,1,1,0,0,0|2,0,0]=4 1314 B14R1.4106 COc1c(F)ccc(CC(C)N)c1F Amb24663158 [0,1,1,0,0,0|1,0,0]=3 1315 B14R1.4106 Cc1c(OC)c(O)ccc1C[C@@H](C)O Amb24703192 [0,1,1,0,0,0|1,0,0]=3 1316 B14R1.23 CCCc1ccc(cc1)CC(N)(C)C Amb17401593 [0,1,1,0,0,0|2,0,0]=4 1317 B14R1.23 CCOc1ccc(CC(C)(C)Br)cc1 Amb18049615 [0,1,1,0,0,0|2,0,0]=4 1318 B14R1.23 CCOc1ccc(cc1)CC(O)(C)C Amb17401910 [0,1,1,0,0,0|2,0,0]=4 1319 B14R1.23 CCSc1ccc(CC(C)(C)N)cc1 Amb18866035 [0,1,1,0,0,0|1,1,0]=4 1320 B14R1.24 CCC(Br)Cc1ccc(cc1)OCC Amb18049421 [0,1,1,0,0,0|2,0,0]=4 1321 B14R1.24 CCCc1ccc(CC(C)NC)cc1 Amb18552938 [0,1,1,0,0,0|2,0,0]=4 1322 B14R1.24 CCCc1ccc(CC(N)CC)cc1 Amb18049671 [0,1,1,0,0,0|2,0,0]=4 1323 B14R1.24 CCOc1ccc(cc1)CC(CC)O Amb17477219 [0,1,1,0,0,0|2,0,0]=4 1324 B14R1.68 CC(C)Cc1ccc(CCCO)cc1 Amb18863769 [0,1,1,0,0,0|2,0,0]=4 1325 B14R1.68 CC(C)Cc1ccc(cc1)C#CCO Amb19059859 [0,1,1,0,0,0|2,0,0]=4 1326 B14R1.68 CCCOc1ccc(CC(C)Br)cc1 Amb18548892 [0,1,1,0,0,0|2,0,0]=4 1327 B14R1.68 CCCOc1ccc(CC(C)Cl)cc1 Amb18049849 [0,1,1,0,0,0|2,0,0]=4 1328 B14R1.141 CCOc1ccc(cc1)C(=O)C(N)C Amb17194699 [0,1,1,0,0,0|1,0,1]=4 1329 B14R1.141 CCOc1ccc(cc1)C(C(C)C)O Amb17194735 [0,1,1,0,0,0|2,0,0]=4 1330 B14R1.717 CC(C)Cc1ccc(cc1)C(=O)CO Amb18565113 [0,1,1,0,0,0|2,0,0]=4 1331 B14R1.717 CC(C)Cc1ccc(cc1)C(O)CO Amb18066326 [0,1,1,0,0,0|2,0,0]=4 1332 B14R1.717 CCC(C)c1ccc(CC(C)N)cc1 Amb18049649 [0,1,1,0,0,0|2,0,0]=4 1333 B14R1.717 OCC(c1ccc(cc1)CC(C)C)C Amb17235504 [0,1,1,0,0,0|2,0,0]=4 1334 B14R1.805 CC(C)Cc1ccc(CC(C)N)cc1 Amb18049650 [0,1,1,0,0,0|2,0,0]=4 1335 B14R1.805 CC(C)Oc1ccc(CC(C)Br)cc1 Amb18548900 [0,1,1,0,0,0|2,0,0]=4 1336 B14R1.805 CC(C)Sc1ccc(CC(C)N)cc1 Amb18896155 [0,1,1,0,0,0|1,1,0]=4 1337 B14R1.470 CCOc1cccc(c1)CC(CC)O Amb17477217 [0,1,1,0,0,0|2,0,0]=4 1338 B14R1.778 CC(C)Cc1cc(ccc1)C#CCO Amb24348380 [0,1,1,0,0,0|2,0,0]=4 1339 B14R2.475 CCCc1cc2C(=O)COc2cc1 Amb18184052 [1,1,0,0,0,0|1,0,0]=3 1340 B14R2.475 CCCc1cc2C(N)COc2cc1 Amb18962507 [1,1,0,0,0,0|1,0,0]=3 1341 B14R2.475 CCCc1cc2C(O)COc2cc1 Amb25109666 [1,1,0,0,0,0|1,0,0]=3 1342 B14R2.475 CCCc1cc2[C@H](N)COc2cc1 Amb25072698 [1,1,0,0,0,0|1,0,0]=3 1343 B14R2.475 CCCc1ccc2CCC(=O)c2c1 Amb24492587 [1,1,0,0,0,0|2,0,0]=4 1344 B14R2.475 CCCc1ccc2CCC(O)c2c1 Amb25087252 [1,1,0,0,0,0|2,0,0]=4 1345 B14R2.475 CCOc1ccc2OCC(O)c2c1 Amb25849495 [1,1,0,0,0,0|2,0,0]=4 1346 B14R2.475 CCOc1ccc2OC[C@@H](N)c2c1 Amb25364736 [1,1,0,0,0,0|2,0,0]=4 1347 B14R2.475 CN1CCc2ccc(CCN)cc12 Amb18196535 [1,1,0,0,0,0|2,0,0]=4 1348 B14R2.475 Cc1coc2ccc(CCN)cc21 Amb18675408 [1,1,0,0,0,0|1,0,1]=4 1349 B14R2.583 Br[Zn]Cc1cc2OCOc2cc1Br Amb13890849 [1,1,0,0,0,0|2,0,0]=4 1350 B14R2.583 C=CCc1cc2OCOc2cc1O Amb25839255 [1,1,0,0,0,0|0,0,2]=4 1351 B14R2.583 CCCc1cc2OCCc2cc1O Amb25723817 [1,1,0,0,0,0|1,0,0]=3 1352 B14R2.583 CCCc1cc2OCOc2cc1N Amb21955461 [1,1,0,0,0,0|0,0,0]=2 1353 B14R2.583 CCCc1cc2SCCc2cc1O Amb24736155 [1,1,0,0,0,0|1,1,0]=4 1354 B14R2.583 CNCc1cc2OCOc2cc1O Amb18288247 [1,1,0,0,0,0|1,0,0]=3 1355 B14R2.583 CSCc1cc2OCOc2cc1Br Amb24720644 [1,1,0,0,0,0|1,0,0]=3 1356 B14R2.583 C\C=C/c1cc2OCOc2cc1O Amb24456721 [1,1,0,0,0,0|0,0,2]=4 1357 B14R2.583 C\C=C\c1cc2OCOc2cc1N Amb24563440 [1,1,0,0,0,0|0,0,2]=4 1358 B14R2.583 Cc1cc2CCCc2cc1CCN Amb18127538 [1,1,0,0,0,0|2,0,0]=4 1359 B14R2.583 Cc1cc2OCCc2cc1CCN Amb18142878 [1,1,0,0,0,0|1,0,0]=3 1360 B14R2.583 Cc1cc2OCOc2cc1CCO Amb25674806 [1,1,0,0,0,0|1,0,0]=3 1361 B14R2.583 Cc1cc2OCOc2cc1NCC Amb24591861 [1,1,0,0,0,0|1,0,0]=3 1362 B14R2.583 Cc1cc2occc2cc1CCN Amb18675746 [1,1,0,0,0,0|1,0,1]=4 1363 B14R2.583 Clc1cc2OCOc2cc1C[Zn]Cl Amb22897732 [1,1,0,0,0,0|2,0,0]=4 1364 B14R2.583 N#CCc1cc2OCOc2cc1Br Amb10658476 [1,1,0,0,0,0|0,0,2]=4 1365 B14R2.583 N#CCc1cc2OCOc2cc1Cl Amb10754749 [1,1,0,0,0,0|0,0,2]=4 1366 B14R2.583 N#CCc1cc2OCOc2cc1F Amb24463776 [1,1,0,0,0,0|0,0,2]=4 1367 B14R2.583 NCCc1cc2CCOc2cc1Cl Amb18675876 [1,1,0,0,0,0|1,0,0]=3 1368 B14R2.583 NCCc1cc2CCOc2cc1F Amb18675883 [1,1,0,0,0,0|1,0,0]=3 1369 B14R2.583 NCCc1cc2OCOc2cc1Cl Amb17199962 [1,1,0,0,0,0|0,0,0]=2 1370 B14R2.583 NCCc1cc2OCOc2cc1F Amb19929567 [1,1,0,0,0,0|0,0,0]=2 1371 B14R2.583 NCCc1cc2OCOc2cc1O Amb24378746 [1,1,0,0,0,0|0,0,0]=2 1372 B14R2.583 NCCc1cc2ccoc2cc1Cl Amb18675687 [1,1,0,0,0,0|1,0,1]=4 1373 B14R2.583 NCCc1cc2ccoc2cc1F Amb18141598 [1,1,0,0,0,0|1,0,1]=4 1374 B14R2.583 NCCc1cc2occc2cc1F Amb18194743 [1,1,0,0,0,0|1,0,1]=4 1375 B14R2.583 NNCc1cc2OCOc2cc1Br Amb1113963 [1,1,0,0,0,0|1,0,0]=3 1376 B14R2.583 NOCc1cc2OCOc2cc1Cl Amb22483237 [1,1,0,0,0,0|1,0,0]=3 1377 B14R2.583 N\N=C\c1cc2OCOc2cc1Br Amb25050951 [1,1,0,0,0,0|1,0,1]=4 1378 B14R2.583 N\N=C\c1cc2OCOc2cc1O Amb24396844 [1,1,0,0,0,0|1,0,1]=4 1379 B14R2.583 Nc1cc2OCOc2cc1CC#N Amb24489040 [1,1,0,0,0,0|0,0,2]=4 1380 B14R2.583 ONCc1cc2OCOc2cc1Br Amb25775410 [1,1,0,0,0,0|2,0,0]=4 1381 B14R2.587 Brc1cc(CCBr)cc2CCOc12 Amb25719041 [1,1,0,0,0,0|2,0,0]=4 1382 B14R2.587 C=CCc1cc2OCOc2c(O)c1 Amb24686403 [1,1,0,0,0,0|0,0,2]=4 1383 B14R2.587 CCCc1cc(Br)c2c(c1)nco2 Amb17572832 [1,1,0,0,0,0|1,0,1]=4 1384 B14R2.587 CCCc1cc(N)c2c(c1)nco2 Amb17570178 [1,1,0,0,0,0|1,0,1]=4 1385 B14R2.587 CSCc1cc2OCOc2c(Cl)c1 Amb24676443 [1,1,0,0,0,0|1,0,0]=3 1386 B14R2.587 N#CCc1cc2OCOc2c(Br)c1 Amb25751965 [1,1,0,0,0,0|0,0,2]=4 1387 B14R2.587 N#CCc1cc2OCOc2c(F)c1 Amb25262821 [1,1,0,0,0,0|0,0,2]=4 1388 B14R2.587 N\N=C\c1cc(Cl)c2OCOc2c1 Amb24429684 [1,1,0,0,0,0|1,0,1]=4 1389 B14R2.808 C=CCc1ccc2OCOc2c1O Amb24357239 [1,1,0,0,0,0|0,0,2]=4 1390 B14R2.808 Cc1c(CCN)ccc2OCCc21 Amb18675939 [1,1,0,0,0,0|1,0,0]=3 1391 B14R2.808 Cc1c(CCN)ccc2ccoc21 Amb18825152 [1,1,0,0,0,0|1,0,1]=4 1392 B14R2.808 Cc1c(CCN)ccc2occc21 Amb18676668 [1,1,0,0,0,0|1,0,1]=4 1393 B14R2.808 N#CCc1ccc2OCOc2c1O Amb25045167 [1,1,0,0,0,0|0,0,2]=4 1394 B14R2.808 NCCc1ccc2OCCc2c1Cl Amb18675888 [1,1,0,0,0,0|1,0,0]=3 1395 B14R2.808 NCCc1ccc2OCCc2c1F Amb18675907 [1,1,0,0,0,0|1,0,0]=3 1396 B14R2.808 NCCc1ccc2occc2c1Cl Amb18141638 [1,1,0,0,0,0|1,0,1]=4 1397 B14R2.808 NCCc1ccc2occc2c1F Amb18675718 [1,1,0,0,0,0|1,0,1]=4 1398 B14R2.966 BrCC(=O)c1ccc2c(c1)OCO2 Amb1159304 [1,1,0,0,0,0|1,0,1]=4 1399 B14R2.966 BrCC(c1ccc2c(c1)OCO2)C Amb17256414 [1,1,0,0,0,0|1,0,0]=3 1400 B14R2.966 BrCC(c1ccc2c(c1)OCO2)O Amb17206131 [1,1,0,0,0,0|1,0,0]=3 1401 B14R2.966 C#CC(O)c1cc2OCOc2cc1 Amb24533821 [1,1,0,0,0,0|0,0,2]=4 1402 B14R2.966 C#C[C@H](O)c1cc2OCOc2cc1 Amb24354381 [1,1,0,0,0,0|0,0,2]=4 1403 B14R2.966 C=C[C@@H](O)c1cc2OCOc2cc1 Amb25153944 [1,1,0,0,0,0|0,0,2]=4 1404 B14R2.966 C=C[C@H](O)c1cc2OCOc2cc1 Amb25676393 [1,1,0,0,0,0|0,0,2]=4 1405 B14R2.966 CC(CN)c1cc2CCOc2cc1 Amb24533675 [1,1,0,0,0,0|1,0,0]=3 1406 B14R2.966 CC(CN)c1cc2[n]coc2cc1 Amb18196691 [1,1,0,0,0,0|1,0,1]=4 1407 B14R2.966 CC(CN)c1cc2oc[n]c2cc1 Amb18196690 [1,1,0,0,0,0|1,0,1]=4 1408 B14R2.966 CC(NN)c1ccc2CCOc2c1 Amb24434054 [1,1,0,0,0,0|2,0,0]=4 1409 B14R2.966 CCC(=O)c1ccc2CCOc2c1 Amb25702296 [1,1,0,0,0,0|1,0,1]=4 1410 B14R2.966 CCC(Br)c1cc2CCOc2cc1 Amb24526460 [1,1,0,0,0,0|1,0,0]=3 1411 B14R2.966 CCC(Cl)c1cc2CCCc2cc1 Amb19052143 [1,1,0,0,0,0|2,0,0]=4 1412 B14R2.966 CCC(Cl)c1cc2CCOc2cc1 Amb18321600 [1,1,0,0,0,0|1,0,0]=3 1413 B14R2.966 CCC(Cl)c1ccc2CCOc2c1 Amb25114880 [1,1,0,0,0,0|1,0,0]=3 1414 B14R2.966 CCC(N)c1cc2ccoc2cc1 Amb18197198 [1,1,0,0,0,0|1,0,1]=4 1415 B14R2.966 CCC(N)c1cc2occc2cc1 Amb24496771 [1,1,0,0,0,0|1,0,1]=4 1416 B14R2.966 CCC(c1ccc2c(c1)CCC2)O Amb17194501 [1,1,0,0,0,0|2,0,0]=4 1417 B14R2.966 CCC(c1ccc2c(c1)CCN2)C Amb1137832 [1,1,0,0,0,0|2,0,0]=4 1418 B14R2.966 CCC(c1ccc2c(c1)CCO2)N Amb1108788 [1,1,0,0,0,0|1,0,0]=3 1419 B14R2.966 CCC(c1ccc2c(c1)OCO2)N Amb1108947 [1,1,0,0,0,0|0,0,0]=2 1420 B14R2.966 CCC(c1ccc2c(c1)OCO2)O Amb17194540 [1,1,0,0,0,0|0,0,0]=2 1421 B14R2.966 CCN(C)c1cc2CCOc2cc1 Amb25796066 [1,1,0,0,0,0|2,0,0]=4 1422 B14R2.966 CC[C@@H](N)c1cc2ccoc2cc1 Amb25368239 [1,1,0,0,0,0|1,0,1]=4 1423 B14R2.966 CC[C@@H](N)c1cc2occc2cc1 Amb25190439 [1,1,0,0,0,0|1,0,1]=4 1424 B14R2.966 CC[C@@H](N)c1ccc2CCOc2c1 Amb25837375 [1,1,0,0,0,0|1,0,0]=3 1425 B14R2.966 CC[C@@H](O)c1cc2CCOc2cc1 Amb25340434 [1,1,0,0,0,0|1,0,0]=3 1426 B14R2.966 CC[C@H](N)c1cc2CCCc2cc1 Amb24646727 [1,1,0,0,0,0|2,0,0]=4 1427 B14R2.966 CC[C@H](N)c1cc2CCNc2cc1 Amb24394973 [1,1,0,0,0,0|2,0,0]=4 1428 B14R2.966 CC[C@H](N)c1cc2OCOc2cc1 Amb25789503 [1,1,0,0,0,0|0,0,0]=2 1429 B14R2.966 CC[C@H](O)c1cc2OCOc2cc1 Amb25126753 [1,1,0,0,0,0|0,0,0]=2 1430 B14R2.966 CC[C@H](c1ccc2c(c1)OCO2)O Amb10845322 [1,1,0,0,0,0|0,0,0]=2 1431 B14R2.966 CNC(=O)c1ccc2c(c1)OCO2 Amb2408120 [1,1,0,0,0,0|1,0,1]=4 1432 B14R2.966 CNC(=S)c1cc2OCOc2cc1 Amb25246257 [1,1,0,0,0,0|1,0,1]=4 1433 B14R2.966 CNC(C)c1ccc2CCOc2c1 Amb24433502 [1,1,0,0,0,0|2,0,0]=4 1434 B14R2.966 CNC(c1ccc2c(c1)OCO2)C Amb1118739 [1,1,0,0,0,0|1,0,0]=3 1435 B14R2.966 CN[C@@H](C)c1cc2CCOc2cc1 Amb24540544 [1,1,0,0,0,0|2,0,0]=4 1436 B14R2.966 COC(=N)c1cc2OCOc2cc1 Amb18180899 [1,1,0,0,0,0|1,0,1]=4 1437 B14R2.966 C[C@@H](NC)c1cc2OCOc2cc1 Amb24752643 [1,1,0,0,0,0|1,0,0]=3 1438 B14R2.966 ClCC(=O)c1ccc2c(c1)OCO2 Amb17039760 [1,1,0,0,0,0|1,0,1]=4 1439 B14R2.966 ClCC(Cl)c1cc2OCOc2cc1 Amb25068318 [1,1,0,0,0,0|1,0,0]=3 1440 B14R2.966 ClCC(c1ccc2c(c1)OCO2)C Amb17236831 [1,1,0,0,0,0|1,0,0]=3 1441 B14R2.966 ClCC(c1ccc2c(c1)OCO2)O Amb17194814 [1,1,0,0,0,0|1,0,0]=3 1442 B14R2.966 FCC(c1ccc2c(c1)OCO2)N Amb2372615 [1,1,0,0,0,0|1,0,0]=3 1443 B14R2.966 N#CC(Cl)c1cc2OCOc2cc1 Amb23539609 [1,1,0,0,0,0|0,0,2]=4 1444 B14R2.966 N#C[C@H](O)c1cc2OCOc2cc1 Amb24591768 [1,1,0,0,0,0|0,0,2]=4 1445 B14R2.966 NC(CO)c1cc2CCOc2cc1 Amb18281707 [1,1,0,0,0,0|2,0,0]=4 1446 B14R2.966 NC(CO)c1ccc2CCOc2c1 Amb25311252 [1,1,0,0,0,0|2,0,0]=4 1447 B14R2.966 NCC(=O)c1ccc2CCOc2c1 Amb25180060 [1,1,0,0,0,0|1,0,1]=4 1448 B14R2.966 NCC(=O)c1ccc2c(c1)CCO2 Amb17194037 [1,1,0,0,0,0|1,0,1]=4 1449 B14R2.966 NCC(=O)c1ccc2c(c1)OCO2 Amb17194533 [1,1,0,0,0,0|0,0,1]=3 1450 B14R2.966 NCC(F)c1cc2CCCc2cc1 Amb25330131 [1,1,0,0,0,0|2,0,0]=4 1451 B14R2.966 NCC(F)c1cc2CCOc2cc1 Amb25156223 [1,1,0,0,0,0|1,0,0]=3 1452 B14R2.966 NCC(F)c1cc2OCOc2cc1 Amb24589009 [1,1,0,0,0,0|0,0,0]=2 1453 B14R2.966 NCC(F)c1ccc2CCOc2c1 Amb24738824 [1,1,0,0,0,0|1,0,0]=3 1454 B14R2.966 NCC(N)c1cc2CCCc2cc1 Amb18196472 [1,1,0,0,0,0|2,0,0]=4 1455 B14R2.966 NCC(N)c1ccc2CCOc2c1 Amb25737997 [1,1,0,0,0,0|1,0,0]=3 1456 B14R2.966 NCC(O)c1cc2OCOc2cc1 Amb19889359 [1,1,0,0,0,0|0,0,0]=2 1457 B14R2.966 NCC(O)c1cc2[n]coc2cc1 Amb18243710 [1,1,0,0,0,0|1,0,1]=4 1458 B14R2.966 NCC(O)c1cc2ccoc2cc1 Amb18142296 [1,1,0,0,0,0|1,0,1]=4 1459 B14R2.966 NCC(O)c1cc2oc[n]c2cc1 Amb18243708 [1,1,0,0,0,0|1,0,1]=4 1460 B14R2.966 NCC(O)c1ccc2CCOc2c1 Amb23586300 [1,1,0,0,0,0|1,0,0]=3 1461 B14R2.966 NCC(c1ccc2c(c1)CCC2)C Amb17233139 [1,1,0,0,0,0|2,0,0]=4 1462 B14R2.966 NCC(c1ccc2c(c1)CCC2)O Amb17335183 [1,1,0,0,0,0|2,0,0]=4 1463 B14R2.966 NCC(c1ccc2c(c1)OCO2)O Amb1107906 [1,1,0,0,0,0|0,0,0]=2 1464 B14R2.966 NC[C@@H](N)c1cc2CCOc2cc1 Amb25322375 [1,1,0,0,0,0|1,0,0]=3 1465 B14R2.966 NC[C@@H](N)c1cc2OCOc2cc1 Amb25324348 [1,1,0,0,0,0|0,0,0]=2 1466 B14R2.966 NC[C@H](N)c1cc2CCOc2cc1 Amb24346919 [1,1,0,0,0,0|1,0,0]=3 1467 B14R2.966 NC[C@H](N)c1cc2OCOc2cc1 Amb25292172 [1,1,0,0,0,0|0,0,0]=2 1468 B14R2.966 NC[C@H](N)c1ccc2CCOc2c1 Amb25839866 [1,1,0,0,0,0|1,0,0]=3 1469 B14R2.966 NNC(=N)c1ccc2c(c1)OCO2 Amb10576607 [1,1,0,0,0,0|1,0,1]=4 1470 B14R2.966 N[C@@H](C#N)c1cc2OCOc2cc1 Amb25123400 [1,1,0,0,0,0|0,0,2]=4 1471 B14R2.966 N[C@@H](CO)c1cc2CCOc2cc1 Amb25843750 [1,1,0,0,0,0|2,0,0]=4 1472 B14R2.966 N[C@@H](CO)c1cc2OCOc2cc1 Amb24493913 [1,1,0,0,0,0|1,0,0]=3 1473 B14R2.966 N[C@H](C#N)c1cc2OCOc2cc1 Amb24424636 [1,1,0,0,0,0|0,0,2]=4 1474 B14R2.966 N[C@H](CF)c1cc2CCOc2cc1 Amb24597745 [1,1,0,0,0,0|2,0,0]=4 1475 B14R2.966 N[C@H](CF)c1cc2OCOc2cc1 Amb25214250 [1,1,0,0,0,0|1,0,0]=3 1476 B14R2.966 N[C@H](CO)c1cc2CCOc2cc1 Amb24493919 [1,1,0,0,0,0|2,0,0]=4 1477 B14R2.966 N[C@H](CO)c1ccc2CCOc2c1 Amb24726217 [1,1,0,0,0,0|2,0,0]=4 1478 B14R2.966 N\C(=N\N)\c1cc2OCOc2cc1 Amb18178634 [1,1,0,0,0,0|1,0,1]=4 1479 B14R2.966 O=CC(c1ccc2c(c1)OCO2)C Amb17194520 [1,1,0,0,0,0|1,0,1]=4 1480 B14R2.966 OCC(=O)c1cc2OCOc2cc1 Amb18186524 [1,1,0,0,0,0|1,0,1]=4 1481 B14R2.966 OCC(F)c1cc2OCOc2cc1 Amb25107709 [1,1,0,0,0,0|1,0,0]=3 1482 B14R2.966 OCC(O)c1cc2CCOc2cc1 Amb25680005 [1,1,0,0,0,0|2,0,0]=4 1483 B14R2.966 OCC(O)c1cc2OCOc2cc1 Amb18066054 [1,1,0,0,0,0|1,0,0]=3 1484 B14R2.966 OCC(c1ccc2c(c1)OCO2)C Amb17233666 [1,1,0,0,0,0|1,0,0]=3 1485 B14R2.966 OCC(c1ccc2c(c1)OCO2)N Amb2236326 [1,1,0,0,0,0|1,0,0]=3 1486 B14R2.966 OC[C@@H](O)c1cc2OCOc2cc1 Amb24717105 [1,1,0,0,0,0|1,0,0]=3 1487 B14R2.966 ONC(c1ccc2c(c1)OCO2)C Amb10606963 [1,1,0,0,0,0|2,0,0]=4 1488 B14R2.966 O[C@@H](CCl)c1cc2OCOc2cc1 Amb25772965 [1,1,0,0,0,0|1,0,0]=3 1489 B14R2.966 O[C@H](CCl)c1cc2OCOc2cc1 Amb20241556 [1,1,0,0,0,0|1,0,0]=3 1490 B14R2.966 SCC(=O)c1ccc2c(c1)OCO2 Amb16192493 [1,1,0,0,0,0|1,0,1]=4 1491 B14R2.966 SCC(c1ccc2c(c1)OCO2)O Amb16192501 [1,1,0,0,0,0|1,0,0]=3 1492 B14R2.966 [NH3+]CC(=O)c1cc2OCOc2cc1 Amb20669851 [1,1,0,0,0,0|0,0,2]=4 1493 B14R2.991 BrCCCc1cc2CCCc2cc1 Amb24442894 [1,1,0,0,0,0|2,0,0]=4 1494 B14R2.991 BrCCCc1cc2CCOc2cc1 Amb25789276 [1,1,0,0,0,0|1,0,0]=3 1495 B14R2.991 BrCCCc1cc2ccoc2cc1 Amb25694389 [1,1,0,0,0,0|1,0,1]=4 1496 B14R2.991 BrCCCc1ccc2c(c1)OCO2 Amb17104572 [1,1,0,0,0,0|0,0,0]=2 1497 B14R2.991 BrC\C=C\c1cc2OCOc2cc1 Amb25785660 [1,1,0,0,0,0|0,0,2]=4 1498 B14R2.991 C#CCCc1ccc2OCOc2c1 Amb18117987 [1,1,0,0,0,0|0,0,1]=3 1499 B14R2.991 C#CCNc1cc2OCOc2cc1 Amb18284533 [1,1,0,0,0,0|0,0,2]=4 1500 B14R2.991 C#CCOc1ccc2c(c1)OCO2 Amb2426770 [1,1,0,0,0,0|0,0,2]=4 1501 B14R2.991 C=CCNc1ccc2c(c1)OCO2 Amb17306202 [1,1,0,0,0,0|0,0,2]=4 1502 B14R2.991 CC/C=C/c1ccc2OCOc2c1 Amb17939595 [1,1,0,0,0,0|0,0,1]=3 1503 B14R2.991 CCCCc1cc2ccoc2cc1 Amb25840635 [1,1,0,0,0,0|1,0,1]=4 1504 B14R2.991 CCCCc1ccc2CCNc2c1 Amb24067647 [1,1,0,0,0,0|2,0,0]=4 1505 B14R2.991 CCCCc1ccc2c(c1)CCN2 Amb1125258 [1,1,0,0,0,0|2,0,0]=4 1506 B14R2.991 CCCCc1ccc2c(c1)nco2 Amb17570158 [1,1,0,0,0,0|1,0,1]=4 1507 B14R2.991 CCCOc1cc2CCCc2cc1 Amb25355966 [1,1,0,0,0,0|2,0,0]=4 1508 B14R2.991 CCCOc1cc2CCNc2cc1 Amb18988576 [1,1,0,0,0,0|2,0,0]=4 1509 B14R2.991 CCCOc1ccc2CCNc2c1 Amb24067522 [1,1,0,0,0,0|2,0,0]=4 1510 B14R2.991 CCCSc1cc2CCNc2cc1 Amb24067513 [1,1,0,0,0,0|2,0,0]=4 1511 B14R2.991 CCNCc1cc2OCCc2cc1 Amb25760883 [1,1,0,0,0,0|1,0,0]=3 1512 B14R2.991 CCNCc1cc2[n]coc2cc1 Amb18114663 [1,1,0,0,0,0|1,0,1]=4 1513 B14R2.991 CCNCc1cc2ccoc2cc1 Amb25343484 [1,1,0,0,0,0|1,0,1]=4 1514 B14R2.991 CCNCc1cc2oc[n]c2cc1 Amb18114563 [1,1,0,0,0,0|1,0,1]=4 1515 B14R2.991 CCNCc1ccc2NCCc2c1 Amb18972392 [1,1,0,0,0,0|2,0,0]=4 1516 B14R2.991 CCNCc1ccc2OCOc2c1 Amb21962570 [1,1,0,0,0,0|0,0,0]=2 1517 B14R2.991 CCNCc1ccc2c(c1)OCO2 Amb1214320 [1,1,0,0,0,0|0,0,0]=2 1518 B14R2.991 CCOCc1cc2ccoc2cc1 Amb24552491 [1,1,0,0,0,0|1,0,1]=4 1519 B14R2.991 CC\N=C\c1cc2OCOc2cc1 Amb25246008 [1,1,0,0,0,0|0,0,1]=3 1520 B14R2.991 CN/N=C/c1ccc2OCOc2c1 Amb17705181 [1,1,0,0,0,0|1,0,1]=4 1521 B14R2.991 CNCCc1cc2CCOc2cc1 Amb18675440 [1,1,0,0,0,0|1,0,0]=3 1522 B14R2.991 CNCCc1cc2OCCc2cc1 Amb24337418 [1,1,0,0,0,0|1,0,0]=3 1523 B14R2.991 CNCCc1cc2[n]coc2cc1 Amb18243652 [1,1,0,0,0,0|1,0,1]=4 1524 B14R2.991 CNCCc1cc2ccoc2cc1 Amb18141342 [1,1,0,0,0,0|1,0,1]=4 1525 B14R2.991 CNCCc1cc2oc[n]c2cc1 Amb18243647 [1,1,0,0,0,0|1,0,1]=4 1526 B14R2.991 CNCCc1ccc2c(c1)CCC2 Amb17400531 [1,1,0,0,0,0|2,0,0]=4 1527 B14R2.991 CNCCc1ccc2c(c1)CCN2 Amb17570208 [1,1,0,0,0,0|2,0,0]=4 1528 B14R2.991 CNCCc1ccc2c(c1)OCO2 Amb17400706 [1,1,0,0,0,0|0,0,0]=2 1529 B14R2.991 CNNCc1cc2OCOc2cc1 Amb24741324 [1,1,0,0,0,0|1,0,0]=3 1530 B14R2.991 COCCc1cc2ccoc2cc1 Amb25807888 [1,1,0,0,0,0|1,0,1]=4 1531 B14R2.991 COCCc1ccc2OCOc2c1 Amb25119789 [1,1,0,0,0,0|0,0,0]=2 1532 B14R2.991 CONCc1ccc2OCOc2c1 Amb22897026 [1,1,0,0,0,0|1,0,0]=3 1533 B14R2.991 ClCC#Cc1cc2OCOc2cc1 Amb25109228 [1,1,0,0,0,0|0,0,2]=4 1534 B14R2.991 ClCCCc1cc2CCOc2cc1 Amb25791583 [1,1,0,0,0,0|1,0,0]=3 1535 B14R2.991 ClCCCc1ccc2CCOc2c1 Amb25336939 [1,1,0,0,0,0|1,0,0]=3 1536 B14R2.991 ClCCCc1ccc2c(c1)OCO2 Amb17104544 [1,1,0,0,0,0|0,0,0]=2 1537 B14R2.991 ClCCNc1ccc2c(c1)OCO2 Amb17337473 [1,1,0,0,0,0|1,0,0]=3 1538 B14R2.991 ClC\C=C\c1cc2OCOc2cc1 Amb25295530 [1,1,0,0,0,0|0,0,2]=4 1539 B14R2.991 N#CCCc1ccc2OCOc2c1 Amb18862910 [1,1,0,0,0,0|0,0,1]=3 1540 B14R2.991 N#CCOc1ccc2c(c1)OCO2 Amb1089806 [1,1,0,0,0,0|0,0,2]=4 1541 B14R2.991 N#CNCc1ccc2OCOc2c1 Amb18178233 [1,1,0,0,0,0|0,0,2]=4 1542 B14R2.991 NCC#Cc1cc2CCOc2cc1 Amb18949815 [1,1,0,0,0,0|1,0,1]=4 1543 B14R2.991 NCC#Cc1ccc2CCOc2c1 Amb25813590 [1,1,0,0,0,0|1,0,1]=4 1544 B14R2.991 NCCCc1c[n]c2OCOc2c1 Amb25237163 [1,1,0,0,0,0|1,0,0]=3 1545 B14R2.991 NCCCc1cc2CCOc2cc1 Amb18981392 [1,1,0,0,0,0|1,0,0]=3 1546 B14R2.991 NCCCc1cc2OCOc2cc1 Amb24055795 [1,1,0,0,0,0|0,0,0]=2 1547 B14R2.991 NCCCc1cc2[n]coc2cc1 Amb18196762 [1,1,0,0,0,0|1,0,1]=4 1548 B14R2.991 NCCCc1cc2ccoc2cc1 Amb18676612 [1,1,0,0,0,0|1,0,1]=4 1549 B14R2.991 NCCCc1cc2oc[n]c2cc1 Amb18196759 [1,1,0,0,0,0|1,0,1]=4 1550 B14R2.991 NCCCc1cc2occc2cc1 Amb25240544 [1,1,0,0,0,0|1,0,1]=4 1551 B14R2.991 NCCCc1ccc2CCOc2c1 Amb18195905 [1,1,0,0,0,0|1,0,0]=3 1552 B14R2.991 NCCCc1ccc2CCSc2c1 Amb18190109 [1,1,0,0,0,0|1,1,0]=4 1553 B14R2.991 NCCCc1ccc2c(c1)CCC2 Amb17233138 [1,1,0,0,0,0|2,0,0]=4 1554 B14R2.991 NCCCc1ccc2c(c1)CCN2 Amb17205150 [1,1,0,0,0,0|2,0,0]=4 1555 B14R2.991 NCCNc1cc2CCCc2cc1 Amb18243667 [1,1,0,0,0,0|2,0,0]=4 1556 B14R2.991 NCCNc1ccc2c(c1)OCO2 Amb17091078 [1,1,0,0,0,0|0,0,0]=2 1557 B14R2.991 NCCOc1ccc2c(c1)CCC2 Amb2132300 [1,1,0,0,0,0|2,0,0]=4 1558 B14R2.991 NCCSc1ccc2c(c1)OCO2 Amb17083037 [1,1,0,0,0,0|0,0,0]=2 1559 B14R2.991 NC\C=C\c1cc2OCOc2cc1 Amb18065654 [1,1,0,0,0,0|0,0,1]=3 1560 B14R2.991 NNCCc1ccc2c(c1)CCC2 Amb17400583 [1,1,0,0,0,0|2,0,0]=4 1561 B14R2.991 NNCCc1ccc2c(c1)OCO2 Amb17400771 [1,1,0,0,0,0|0,0,0]=2 1562 B14R2.991 O=CCCc1cc2CCOc2cc1 Amb25772414 [1,1,0,0,0,0|1,0,1]=4 1563 B14R2.991 O=CCCc1ccc2c(c1)OCO2 Amb17081687 [1,1,0,0,0,0|0,0,1]=3 1564 B14R2.991 O=CCSc1ccc2c(c1)OCO2 Amb17082925 [1,1,0,0,0,0|1,0,1]=4 1565 B14R2.991 O=CNCc1ccc2c(c1)OCO2 Amb2093111 [1,1,0,0,0,0|1,0,1]=4 1566 B14R2.991 OCCCc1cc2CCCc2cc1 Amb18224530 [1,1,0,0,0,0|2,0,0]=4 1567 B14R2.991 OCCCc1cc2[n]coc2cc1 Amb18243683 [1,1,0,0,0,0|1,0,1]=4 1568 B14R2.991 OCCCc1cc2ccoc2cc1 Amb25072828 [1,1,0,0,0,0|1,0,1]=4 1569 B14R2.991 OCCCc1cc2oc[n]c2cc1 Amb18243680 [1,1,0,0,0,0|1,0,1]=4 1570 B14R2.991 OCCCc1ccc2CCOc2c1 Amb25060220 [1,1,0,0,0,0|1,0,0]=3 1571 B14R2.991 OCCCc1ccc2c(c1)OCO2 Amb17089509 [1,1,0,0,0,0|0,0,0]=2 1572 B14R2.991 OCCNc1cc2CCOc2cc1 Amb24556482 [1,1,0,0,0,0|2,0,0]=4 1573 B14R2.991 OCCNc1cc2OCOc2cc1 Amb19959300 [1,1,0,0,0,0|1,0,0]=3 1574 B14R2.991 OC\C=C\c1cc2OCOc2cc1 Amb22173831 [1,1,0,0,0,0|0,0,2]=4 1575 B14R2.991 OC\N=C\c1cc2OCOc2cc1 Amb19866565 [1,1,0,0,0,0|1,0,1]=4 1576 B14R2.991 S=CNCc1ccc2OCOc2c1 Amb25690198 [1,1,0,0,0,0|1,0,1]=4 1577 B14R2.991 SCCCc1cc2CCCc2cc1 Amb25699222 [1,1,0,0,0,0|2,0,0]=4 1578 B14R2.991 SCCCc1cc2CCOc2cc1 Amb24473210 [1,1,0,0,0,0|1,0,0]=3 1579 B14R2.991 SCCCc1cc2oc[n]c2cc1 Amb25762166 [1,1,0,0,0,0|1,0,1]=4 1580 B14R2.991 SCCCc1ccc2c(c1)OCO2 Amb17402126 [1,1,0,0,0,0|0,0,0]=2 1581 B14R2.991 SCCOc1ccc2c(c1)OCO2 Amb17236743 [1,1,0,0,0,0|1,0,0]=3 1582 B14R2.991 [N-]=[N+]=NCc1ccc2OCOc2c1 Amb18790808 [1,1,0,0,0,0|1,0,1]=4 1583 B14R2.6400 CC1Cc2cc(CCN)ccc2O1 Amb18195929 [1,1,0,0,0,0|1,0,0]=3 1584 B14R2.6400 CC1Cc2cc(CCN)ccc2S1 Amb18190107 [1,1,0,0,0,0|1,1,0]=4 1585 B14R2.6400 CC1Cc2ccc(CCN)cc2O1 Amb18824973 [1,1,0,0,0,0|1,0,0]=3 1586 B14R2.6400 CCCc1cc2CC(C)Nc2cc1 Amb21970992 [1,1,0,0,0,0|2,0,0]=4 1587 B14R2.6400 CCCc1cc2NC(=O)Oc2cc1 Amb18046741 [1,1,0,0,0,0|1,0,1]=4 1588 B14R2.6400 CCCc1cc2OC(=O)Nc2cc1 Amb24534178 [1,1,0,0,0,0|1,0,1]=4 1589 B14R2.6400 CCCc1cc2[n]c(Cl)oc2cc1 Amb19064466 [1,1,0,0,0,0|1,0,1]=4 1590 B14R2.6400 CCCc1cc2[n]c([SH3])oc2cc1 Amb18547373 [1,1,0,0,0,0|1,0,1]=4 1591 B14R2.6400 CCCc1ccc2c(c1)nc(o2)C Amb17570166 [1,1,0,0,0,0|1,0,1]=4 1592 B14R2.6400 CCCc1ccc2c(c1)nc(o2)N Amb17570194 [1,1,0,0,0,0|1,0,1]=4 1593 B14R2.6400 CCCc1ccc2c(c1)nc(o2)S Amb17570743 [1,1,0,0,0,0|1,0,1]=4 1594 B14R2.6400 CNCc1cc2OC(C)Cc2cc1 Amb25820075 [1,1,0,0,0,0|2,0,0]=4 1595 B14R2.6400 Cc1[n]c2cc(CCN)ccc2o1 Amb18062767 [1,1,0,0,0,0|1,0,1]=4 1596 B14R2.6400 Cc1[n]c2ccc(CCN)cc2o1 Amb18196763 [1,1,0,0,0,0|1,0,1]=4 1597 B14R2.6400 Cc1cc2cc(CCN)ccc2o1 Amb18197197 [1,1,0,0,0,0|1,0,1]=4 1598 B14R2.6400 Cc1cc2ccc(CCN)cc2o1 Amb18197195 [1,1,0,0,0,0|1,0,1]=4 1599 B14R2.6400 NC1Oc2cc(CCO)ccc2O1 Amb22756326 [1,1,0,0,0,0|1,0,0]=3 1600 B14R2.6400 NC1Oc2cc(CCO)ccc2O1 Amb24543998 [1,1,0,0,0,0|1,0,0]=3 1601 B14R2.6400 NCCc1cc2NC(=O)Oc2cc1 Amb18532142 [1,1,0,0,0,0|1,0,1]=4 1602 B14R2.6400 NCCc1cc2OC(=O)Nc2cc1 Amb18549076 [1,1,0,0,0,0|1,0,1]=4 1603 B14R2.6400 Nc1[n]c2cc(CCN)ccc2o1 Amb18560282 [1,1,0,0,0,0|1,0,1]=4 1604 B14R2.6412 CCCc1cc2CCC(N)c2cc1 Amb24490842 [1,1,0,0,0,0|2,0,0]=4 1605 B14R2.6412 CCCc1cc2CC[C@@H](N)c2cc1 Amb25704286 [1,1,0,0,0,0|2,0,0]=4 1606 B14R2.6412 CCOc1cc2OCC(O)c2cc1 Amb24438192 [1,1,0,0,0,0|2,0,0]=4 1607 B14R2.6412 CCOc1cc2OC[C@H](N)c2cc1 Amb24394994 [1,1,0,0,0,0|2,0,0]=4 1608 B14R2.6412 CCOc1ccc2c(c1)OCC2=O Amb2504927 [1,1,0,0,0,0|2,0,0]=4 1609 B14R2.6412 CCSc1cc2OC[C@H](N)c2cc1 Amb25100411 [1,1,0,0,0,0|2,0,0]=4 1610 B14R2.6412 Cc1coc2cc(CCN)ccc21 Amb18197194 [1,1,0,0,0,0|1,0,1]=4 1611 B14R2.6412 NCCc1ccc2c(c1)CCN2C Amb17570207 [1,1,0,0,0,0|2,0,0]=4 1612 B14R2.601 CC(=O)c1cc2OC(C)Oc2cc1 Amb25708990 [0,1,0,0,1,0|1,0,1]=4 1613 B14R2.601 CC(N)c1cc2NC(=O)Oc2cc1 Amb18243714 [0,1,0,0,1,0|1,0,1]=4 1614 B14R2.601 CC(N)c1cc2OC(=O)Nc2cc1 Amb18115917 [0,1,0,0,1,0|1,0,1]=4 1615 B14R2.601 CC1Cc2cc(ccc2O1)C(C)Cl Amb18321598 [0,1,0,0,1,0|2,0,0]=4 1616 B14R2.601 CC1Cc2cc(ccc2O1)C(C)N Amb22587106 [0,1,0,0,1,0|1,0,0]=3 1617 B14R2.601 CC1Cc2cc(ccc2O1)C(C)O Amb18180775 [0,1,0,0,1,0|2,0,0]=4 1618 B14R2.601 C[C@H](N)c1cc2OC(=O)Nc2cc1 Amb24633729 [0,1,0,0,1,0|1,0,1]=4 1619 B14R2.601 Cc1[n]c2cc(ccc2o1)C(C)N Amb18196781 [0,1,0,0,1,0|1,0,1]=4 1620 B14R2.601 Cc1[n]c2ccc(cc2o1)C(C)N Amb18196782 [0,1,0,0,1,0|1,0,1]=4 1621 B14R2.624 CC(=O)c1cc2OCOc2cc1Cl Amb17199925 [0,1,0,0,1,0|1,0,1]=4 1622 B14R2.624 CC(=O)c1cc2OCOc2cc1I Amb22263747 [0,1,0,0,1,0|1,0,1]=4 1623 B14R2.624 CC(Br)c1cc2CCOc2cc1Br Amb24440268 [0,1,0,0,1,0|2,0,0]=4 1624 B14R2.624 CC(C)c1cc2OCCc2cc1O Amb24633327 [0,1,0,0,1,0|2,0,0]=4 1625 B14R2.624 CC(Cl)c1cc2OCOc2cc1Cl Amb24444846 [0,1,0,0,1,0|1,0,0]=3 1626 B14R2.624 CC(N)c1cc2CCCc2cc1Cl Amb25799619 [0,1,0,0,1,0|2,0,0]=4 1627 B14R2.624 CC(N)c1cc2CCCc2cc1N Amb25034536 [0,1,0,0,1,0|2,0,0]=4 1628 B14R2.624 CC(N)c1cc2CCOc2cc1F Amb25190145 [0,1,0,0,1,0|1,0,0]=3 1629 B14R2.624 CC(N)c1cc2OCOc2cc1N Amb24398691 [0,1,0,0,1,0|0,0,0]=2 1630 B14R2.624 CC(O)c1cc2OCOc2cc1I Amb22263760 [0,1,0,0,1,0|1,0,0]=3 1631 B14R2.624 CC(O)c1cc2OCOc2cc1N Amb24489142 [0,1,0,0,1,0|1,0,0]=3 1632 B14R2.624 CC(c1cc2OCOc2cc1Br)O Amb16204490 [0,1,0,0,1,0|1,0,0]=3 1633 B14R2.624 CC(c1cc2OCOc2cc1Cl)N Amb1108631 [0,1,0,0,1,0|0,0,0]=2 1634 B14R2.624 CN(C)c1cc2OCOc2cc1I Amb22284691 [0,1,0,0,1,0|2,0,0]=4 1635 B14R2.624 CN(C)c1cc2OCOc2cc1I Amb22284692 [0,1,0,0,1,0|2,0,0]=4 1636 B14R2.624 C[C@@H](N)c1cc2CCCc2cc1Cl Amb25138120 [0,1,0,0,1,0|2,0,0]=4 1637 B14R2.624 C[C@@H](N)c1cc2OCOc2cc1Cl Amb25063365 [0,1,0,0,1,0|0,0,0]=2 1638 B14R2.624 C[C@@H](O)c1cc2CCOc2cc1Br Amb25361468 [0,1,0,0,1,0|2,0,0]=4 1639 B14R2.624 C[C@@H](O)c1cc2OCOc2cc1Br Amb25304177 [0,1,0,0,1,0|1,0,0]=3 1640 B14R2.624 C[C@H](N)c1cc2CCOc2cc1F Amb25723749 [0,1,0,0,1,0|1,0,0]=3 1641 B14R2.624 C[C@H](N)c1cc2OCOc2cc1Br Amb25081028 [0,1,0,0,1,0|0,0,0]=2 1642 B14R2.624 C[C@H](N)c1cc2OCOc2cc1Cl Amb25815250 [0,1,0,0,1,0|0,0,0]=2 1643 B14R2.624 C[C@H](O)c1cc2OCOc2cc1Br Amb25710587 [0,1,0,0,1,0|1,0,0]=3 1644 B14R2.624 Cc1cc2CCCc2cc1[C@@H](C)N Amb24737573 [0,1,0,0,1,0|2,0,0]=4 1645 B14R2.624 Cc1cc2OCCc2cc1[C@@H](C)N Amb25815361 [0,1,0,0,1,0|1,0,0]=3 1646 B14R2.624 Cc1cc2OCOc2cc1C(C)O Amb25256757 [0,1,0,0,1,0|1,0,0]=3 1647 B14R2.624 Cc1cc2OCOc2cc1[C@@H](C)N Amb24655796 [0,1,0,0,1,0|0,0,0]=2 1648 B14R2.624 NC(=O)c1cc2OCOc2cc1Br Amb10608762 [0,1,0,0,1,0|1,0,1]=4 1649 B14R2.624 NC(=O)c1cc2OCOc2cc1O Amb25124133 [0,1,0,0,1,0|1,0,1]=4 1650 B14R2.624 Nc1cc2OCOc2cc1C(N)=O Amb24740687 [0,1,0,0,1,0|1,0,1]=4 1651 B14R2.3125 CC(C)(C)c1cc2CCOc2cc1 Amb24642892 [0,1,0,0,1,0|2,0,0]=4 1652 B14R2.3125 CC(C)(C)c1ccc2CCOc2c1 Amb25070526 [0,1,0,0,1,0|2,0,0]=4 1653 B14R2.3125 CC(C)(N)c1cc2CCOc2cc1 Amb18195932 [0,1,0,0,1,0|1,0,0]=3 1654 B14R2.3125 CC(C)(N)c1cc2ccoc2cc1 Amb18825160 [0,1,0,0,1,0|1,0,1]=4 1655 B14R2.3125 CC(C)(N)c1ccc2CCOc2c1 Amb24636345 [0,1,0,0,1,0|1,0,0]=3 1656 B14R2.3125 CC(C)(O)c1cc2CCOc2cc1 Amb24060802 [0,1,0,0,1,0|2,0,0]=4 1657 B14R2.3125 CC(C)(O)c1cc2OCOc2cc1 Amb25063311 [0,1,0,0,1,0|1,0,0]=3 1658 B14R2.3125 CC(c1ccc2c(c1)CCC2)(N)C Amb17194496 [0,1,0,0,1,0|2,0,0]=4 1659 B14R2.3125 CC(c1ccc2c(c1)OCO2)(N)C Amb13951688 [0,1,0,0,1,0|0,0,0]=2 1660 B14R2.3125 C[N+](c1ccc2c(c1)OCO2)(C)C Amb15772456 [0,1,0,0,1,0|2,0,0]=4 1661 B14R2.3125 C[Si](C)(C)c1cc2OCOc2cc1 Amb19886431 [0,1,0,0,1,0|1,1,0]=4 1662 B14R2.5998 CC(C)c1ccc2OCCc2c1N Amb18138361 [0,1,0,0,1,0|2,0,0]=4 1663 B14R2.5998 CC(N)c1ccc2CCCc2c1N Amb25104859 [0,1,0,0,1,0|2,0,0]=4 1664 B14R2.5998 C[C@@H](N)c1ccc2CCCc2c1N Amb24648844 [0,1,0,0,1,0|2,0,0]=4 1665 B14R2.5998 C[C@@H](N)c1ccc2OCOc2c1O Amb24490510 [0,1,0,0,1,0|0,0,0]=2 1666 B14R2.5998 Cc1c2CCCc2ccc1C(C)N Amb24419981 [0,1,0,0,1,0|2,0,0]=4 1667 B14R2.5998 NC(=O)c1ccc2OCOc2c1O Amb25755606 [0,1,0,0,1,0|1,0,1]=4 1668 B14R2.8824 CC(F)c1cc(O)c2OCOc2c1 Amb25242741 [0,1,0,0,1,0|1,0,0]=3 1669 B14R2.8824 CC(N)c1cc2CCOc2c(Br)c1 Amb24446539 [0,1,0,0,1,0|1,0,0]=3 1670 B14R2.8824 CC(N)c1cc2CCOc2c(Cl)c1 Amb25780100 [0,1,0,0,1,0|1,0,0]=3 1671 B14R2.8824 CC(N)c1cc2CCOc2c(O)c1 Amb25352529 [0,1,0,0,1,0|1,0,0]=3 1672 B14R2.8824 C[C@@H](N)c1cc(N)c2CCCc2c1 Amb25126068 [0,1,0,0,1,0|2,0,0]=4 1673 B14R2.8824 C[C@@H](N)c1cc2CCCc2c(Cl)c1 Amb25722586 [0,1,0,0,1,0|2,0,0]=4 1674 B14R2.8824 C[C@@H](N)c1cc2CCOc2c(Br)c1 Amb24461546 [0,1,0,0,1,0|1,0,0]=3 1675 B14R2.8824 C[C@H](N)c1cc2CCCc2c(Br)c1 Amb25785080 [0,1,0,0,1,0|2,0,0]=4 1676 B14R2.8824 C[C@H](N)c1cc2CCCc2c(Cl)c1 Amb25347360 [0,1,0,0,1,0|2,0,0]=4 1677 B14R2.8824 C[C@H](N)c1cc2CCOc2c(Cl)c1 Amb25704720 [0,1,0,0,1,0|1,0,0]=3 1678 B14R2.8824 C[C@H](N)c1cc2CCOc2c(F)c1 Amb25336352 [0,1,0,0,1,0|1,0,0]=3 1679 B14R2.8824 Cc1cc(cc2CCCc12)C(C)N Amb25828464 [0,1,0,0,1,0|2,0,0]=4 1680 B14R2.8824 Cc1cc(cc2CCCc12)[C@@H](C)N Amb24365200 [0,1,0,0,1,0|2,0,0]=4 1681 B14R2.8824 Oc1cc(cc2OCOc21)C(F)F Amb24559380 [0,1,0,0,1,0|2,0,0]=4 1682 B14R2.24358 CC(C)c1ccc2OC[C@@H](N)c2c1 Amb24390777 [0,1,0,0,1,0|2,0,0]=4 1683 B14R2.24358 CC(C)c1ccc2OC[C@H](N)c2c1 Amb25724456 [0,1,0,0,1,0|2,0,0]=4 1684 B14R2.24358 CC(N)c1cc2C(=O)COc2cc1 Amb25689463 [0,1,0,0,1,0|1,0,0]=3 1685 B14R2.24358 CC(N)c1cc2C(N)COc2cc1 Amb24453360 [0,1,0,0,1,0|1,0,0]=3 1686 B14R2.24358 C[C@@H](N)c1cc2[C@@H](N)COc2cc1 Amb25336445 [0,1,0,0,1,0|1,0,0]=3 1687 B14R2.24358 C[C@H](N)c1cc2[C@@H](N)COc2cc1 Amb25335430 [0,1,0,0,1,0|1,0,0]=3 1688 B16R2.3989 CN(C)Cc1cc2OCCOc2cc1Br Amb23510467 [0,1,0,0,0,1|2,0,0]=4 1689 B16R2.3989 Cc1cc2OCCOc2cc1CC(C)=O Amb18895493 [0,1,0,0,0,1|1,0,1]=4 1690 B16R2.3989 Cc1cc2OCCOc2cc1CC(C)N Amb18895754 [0,1,0,0,0,1|0,0,0]=2 1691 B16R2.3989 Cc1cc2OCCOc2cc1CC(N)=O Amb18895722 [0,1,0,0,0,1|1,0,1]=4 1692 B16R2.3989 Cc1cc2OCCOc2cc1NC(C)C Amb18895769 [0,1,0,0,0,1|2,0,0]=4 1693 B16R2.5347 CCC(Br)Cc1ccc2OCCOc2c1 Amb18049416 [0,1,0,0,0,1|1,0,0]=3 1694 B16R2.5347 CCC(N)Cc1cc2CCCCc2cc1 Amb18549099 [0,1,0,0,0,1|2,0,0]=4 1695 B16R2.5347 CNC(C)Cc1cc2CCCCc2cc1 Amb18552923 [0,1,0,0,0,1|2,0,0]=4 1696 B16R2.5347 CNC(C)Cc1cc2CCCNc2cc1 Amb18550303 [0,1,0,0,0,1|2,0,0]=4 1697 B16R2.5347 COC(=O)Cc1ccc2c(c1)OCCO2 Amb1099250 [0,1,0,0,0,1|1,0,1]=4 1698 B16R2.5347 N#CC(Nc1ccc2c(c1)OCCO2)C Amb17402861 [0,1,0,0,0,1|1,0,1]=4 1699 B16R2.5347 NCC(=O)Cc1ccc2OCCOc2c1 Amb18779630 [0,1,0,0,0,1|1,0,1]=4 1700 B16R2.5347 NCC(Cc1ccc2c(c1)OCCO2)O Amb17240196 [0,1,0,0,0,1|1,0,0]=3 1701 B16R2.5347 NNC(=O)Cc1ccc2c(c1)OCCO2 Amb1921795 [0,1,0,0,0,1|1,0,1]=4 1702 B16R2.5347 OCC(Cc1ccc2c(c1)OCCO2)N Amb17062703 [0,1,0,0,0,1|0,0,0]=2 1703 B16R2.6284 CC(C(=O)c1ccc2c(c1)OCCO2)Br Amb1885035 [0,1,0,0,0,1|1,0,1]=4 1704 B16R2.6284 CC(C(C)Br)c1cc2OCCOc2cc1 Amb25671554 [0,1,0,0,0,1|1,0,0]=3 1705 B16R2.6284 CC(C(c1ccc2c(c1)CCCO2)O)N Amb17579222 [0,1,0,0,0,1|1,0,0]=3 1706 B16R2.6284 CC(C(c1ccc2c(c1)OCCO2)Cl)C Amb17142213 [0,1,0,0,0,1|1,0,0]=3 1707 B16R2.6284 CC(C(c1ccc2c(c1)OCCO2)O)C Amb17140282 [0,1,0,0,0,1|1,0,0]=3 1708 B16R2.6284 CC(C)C(Br)c1ccc2OCCOc2c1 Amb24407641 [0,1,0,0,0,1|1,0,0]=3 1709 B16R2.6284 CC(C)C(Cl)c1ccc2OCCCc2c1 Amb25234489 [0,1,0,0,0,1|2,0,0]=4 1710 B16R2.6284 CC(N)C(=O)c1cc2CCCOc2cc1 Amb18895350 [0,1,0,0,0,1|1,0,1]=4 1711 B16R2.6284 CC(N)C(O)c1ccc2OCCNc2c1 Amb18105634 [0,1,0,0,0,1|1,0,0]=3 1712 B16R2.6284 CC(O)C(=O)c1cc2OCCOc2cc1 Amb24397108 [0,1,0,0,0,1|1,0,1]=4 1713 B16R2.6284 NC(=O)C(Cl)c1cc2OCCOc2cc1 Amb24411650 [0,1,0,0,0,1|1,0,1]=4 1714 B16R2.6284 NC(=O)C(O)c1cc2OCCOc2cc1 Amb24665275 [0,1,0,0,0,1|1,0,1]=4 1715 B16R2.6284 NC(=O)C(c1ccc2c(c1)OCCO2)N Amb17339003 [0,1,0,0,0,1|1,0,1]=4 1716 B16R2.11975 CC(Br)Cc1ccc2OCC(=O)Nc2c1 Amb18548904 [0,1,0,0,0,1|2,0,0]=4 1717 B16R2.11975 CC(Cc1ccc2c(c1)NC(=O)CO2)C Amb17571009 [0,1,0,0,0,1|2,0,0]=4 1718 B16R2.11975 CC(Cc1ccc2c(c1)NC(CO2)C)C Amb17571086 [0,1,0,0,0,1|2,0,0]=4 1719 B16R2.11975 CC(Cl)Cc1ccc2OCC(=O)Nc2c1 Amb18549313 [0,1,0,0,0,1|2,0,0]=4 1720 B16R2.11975 CC(N)Cc1ccc2OCC(=O)Nc2c1 Amb18049646 [0,1,0,0,0,1|1,0,0]=3 1721 B16R2.11975 CC(N)Cc1ccc2SCC(=O)Nc2c1 Amb18245909 [0,1,0,0,0,1|1,1,0]=4 1722 B16R2.11988 CC(Cc1ccc2c(c1)NCC(O2)C)C Amb17571080 [0,1,0,0,0,1|2,0,0]=4 1723 B16R2.11988 CC1CNc2cc(CC(C)N)ccc2O1 Amb18053360 [0,1,0,0,0,1|1,0,0]=3 1724 B16R2.24933 CC(Cc1cc2CCCOc2c(c1)C)N Amb17579130 [0,1,0,0,0,1|1,0,0]=3 1725 B16R2.24933 CC(Cc1cc2NCCOc2c(c1)N)C Amb17571210 [0,1,0,0,0,1|2,0,0]=4 1726 B16R2.82802 CC(C)(Br)Cc1ccc2OCCOc2c1 Amb18049612 [0,1,0,0,0,1|1,0,0]=3 1727 B16R2.82802 CC(Cc1ccc2c(c1)CCCC2)(N)C Amb17402793 [0,1,0,0,0,1|2,0,0]=4 1728 B16R2.82802 CC(Cc1ccc2c(c1)OCCO2)(O)C Amb17403645 [0,1,0,0,0,1|1,0,0]=3 1729 B16R2.126902 CC(Cc1ccc2c(c1)N(C)CCO2)C Amb17571077 [0,1,0,0,0,1|2,0,0]=4 1730 B16R2.126902 CN1CCOc2ccc(CC(C)N)cc12 Amb18622712 [0,1,0,0,0,1|1,0,0]=3 1731 B16R2.1357 BrCC(=O)NCc1ccc2c(c1)OCO2 Amb17330376 [0,1,0,0,0,1|1,0,1]=4 1732 B16R2.1357 CC(CCc1ccc2OCOc2c1)=NO Amb22270134 [0,1,0,0,0,1|0,0,2]=4 1733 B16R2.1357 CC(COc1cc2CCCc2cc1)NN Amb18567796 [0,1,0,0,0,1|2,0,0]=4 1734 B16R2.1357 CCC(=O)CCc1ccc2OCOc2c1 Amb18865403 [0,1,0,0,0,1|1,0,1]=4 1735 B16R2.1357 CCC(=O)NCc1ccc2c(c1)OCO2 Amb10101119 [0,1,0,0,0,1|1,0,1]=4 1736 B16R2.1357 CCC(N)CCc1cc2CCCc2cc1 Amb18864888 [0,1,0,0,0,1|2,0,0]=4 1737 B16R2.1357 CCC(N)CCc1ccc2OCOc2c1 Amb18778959 [0,1,0,0,0,1|0,0,0]=2 1738 B16R2.1357 CCC(NCc1ccc2c(c1)OCO2)C Amb1929134 [0,1,0,0,0,1|1,0,0]=3 1739 B16R2.1357 CNC(=O)CCc1ccc2c(c1)OCO2 Amb16068696 [0,1,0,0,0,1|1,0,1]=4 1740 B16R2.1357 CNC(=O)NCc1ccc2c(c1)OCO2 Amb2132775 [0,1,0,0,0,1|1,0,1]=4 1741 B16R2.1357 COC(=N)CCc1ccc2OCOc2c1 Amb18567866 [0,1,0,0,0,1|0,0,2]=4 1742 B16R2.1357 COC(=O)CCc1ccc2c(c1)OCO2 Amb17403621 [0,1,0,0,0,1|1,0,1]=4 1743 B16R2.1357 COC(=O)CNc1ccc2c(c1)OCO2 Amb1921725 [0,1,0,0,0,1|1,0,1]=4 1744 B16R2.1357 COC(=O)NCc1ccc2c(c1)OCO2 Amb1816899 [0,1,0,0,0,1|1,0,1]=4 1745 B16R2.1357 ClCC(=O)CCc1ccc2c(c1)OCO2 Amb17142209 [0,1,0,0,0,1|1,0,1]=4 1746 B16R2.1357 ClCC(=O)COc1ccc2c(c1)OCO2 Amb17142480 [0,1,0,0,0,1|1,0,1]=4 1747 B16R2.1357 ClCC(=O)NCc1ccc2c(c1)OCO2 Amb1206976 [0,1,0,0,0,1|1,0,1]=4 1748 B16R2.1357 N#CC(COc1ccc2c(c1)OCO2)N Amb17076596 [0,1,0,0,0,1|0,0,1]=3 1749 B16R2.1357 N#CC(NCc1ccc2c(c1)OCO2)C Amb17044870 [0,1,0,0,0,1|0,0,1]=3 1750 B16R2.1357 NC(CO)CCc1ccc2OCOc2c1 Amb18568652 [0,1,0,0,0,1|0,0,0]=2 1751 B16R2.1357 NC(CO)COc1cc2CCCc2cc1 Amb18568025 [0,1,0,0,0,1|2,0,0]=4 1752 B16R2.1357 NCC(=O)NCc1ccc2c(c1)OCO2 Amb15740965 [0,1,0,0,0,1|1,0,1]=4 1753 B16R2.1357 NCC(CNc1ccc2c(c1)OCO2)O Amb17140501 [0,1,0,0,0,1|1,0,0]=3 1754 B16R2.1357 NCC(COc1ccc2c(c1)OCO2)O Amb2581665 [0,1,0,0,0,1|1,0,0]=3 1755 B16R2.1357 NCC(CSc1ccc2c(c1)OCO2)O Amb17083192 [0,1,0,0,0,1|1,0,0]=3 1756 B16R2.1357 OCC(=O)CCc1ccc2OCOc2c1 Amb18568305 [0,1,0,0,0,1|1,0,1]=4 1757 B16R2.1357 OCC(=O)NCc1ccc2c(c1)OCO2 Amb17339196 [0,1,0,0,0,1|1,0,1]=4 1758 B16R2.1357 OCC(COc1ccc2c(c1)OCO2)C Amb17240544 [0,1,0,0,0,1|1,0,0]=3 1759 B16R2.3892 CC(N)CCc1ccc2NC(=O)Oc2c1 Amb18895503 [0,1,0,0,0,1|1,0,1]=4 1760 B16R2.3892 CC(N)CCc1ccc2OC(=O)Nc2c1 Amb18895504 [0,1,0,0,0,1|1,0,1]=4 1761 B16R2.3892 CC(NCc1ccc2c(c1)CC(O2)C)C Amb1085885 [0,1,0,0,0,1|2,0,0]=4 1762 B16R2.3892 Cc1[n]c2cc(CCC(C)N)ccc2o1 Amb18895182 [0,1,0,0,0,1|1,0,1]=4 1763 B16R2.3892 Cc1[n]c2ccc(CCC(C)N)cc2o1 Amb18895170 [0,1,0,0,0,1|1,0,1]=4 1764 B16R2.3954 CC(=O)NCc1cc2OCOc2cc1Br Amb1900727 [0,1,0,0,0,1|1,0,1]=4 1765 B16R2.3954 CC(=O)NCc1cc2OCOc2cc1Cl Amb1094567 [0,1,0,0,0,1|1,0,1]=4 1766 B16R2.3954 CC(=O)OCc1cc2OCOc2cc1Br Amb24063790 [0,1,0,0,0,1|1,0,1]=4 1767 B16R2.6257 CC(=O)C(C)Cc1ccc2OCOc2c1 Amb18865402 [0,1,0,0,0,1|1,0,1]=4 1768 B16R2.6257 CC(=O)N(C)Cc1ccc2OCOc2c1 Amb20716273 [0,1,0,0,0,1|1,0,1]=4 1769 B16R2.6257 CC(C)C(Br)Cc1ccc2OCOc2c1 Amb18548998 [0,1,0,0,0,1|1,0,0]=3 1770 B16R2.6257 CC(C)C(N)Cc1ccc2OCCc2c1 Amb18675441 [0,1,0,0,0,1|2,0,0]=4 1771 B16R2.6257 CC(C)C(N)Cc1ccc2OCOc2c1 Amb18549176 [0,1,0,0,0,1|1,0,0]=3 1772 B16R2.6257 CC(Cc1ccc2OCOc2c1)N(C)C Amb22352617 [0,1,0,0,0,1|2,0,0]=4 1773 B16R2.6257 CC(N)C(=O)Cc1cc2CCCc2cc1 Amb25131576 [0,1,0,0,0,1|2,0,0]=4 1774 B16R2.6257 CC(N)C(=O)Nc1cc2OCOc2cc1 Amb25388762 [0,1,0,0,0,1|0,0,1]=3 1775 B16R2.6257 C[C@@H](N)C(=O)Nc1cc2OCOc2cc1 Amb18527959 [0,1,0,0,0,1|0,0,1]=3 1776 B16R2.6257 C[C@@H](N)C(=O)Nc1cc2OCOc2cc1 Amb24771355 [0,1,0,0,0,1|0,0,1]=3 1777 B16R2.6257 C[C@H](N)C(=O)Nc1cc2OCOc2cc1 Amb24770207 [0,1,0,0,0,1|0,0,1]=3 1778 B16R2.6257 C\C(=C/c1cc2OCOc2cc1)\C(C)Br Amb25161645 [0,1,0,0,0,1|1,0,1]=4 1779 B16R2.6257 NC(=O)C(Cl)Cc1ccc2OCOc2c1 Amb25317850 [0,1,0,0,0,1|1,0,1]=4 1780 B16R2.6257 NC(=O)C(Oc1ccc2c(c1)OCO2)C Amb17143447 [0,1,0,0,0,1|1,0,1]=4 1781 B16R2.6257 O=C(C(Br)C)Nc1ccc2c(c1)OCO2 Amb10767285 [0,1,0,0,0,1|1,0,1]=4 1782 B16R2.6257 O=C(C(Cl)C)Nc1ccc2c(c1)OCO2 Amb2267094 [0,1,0,0,0,1|1,0,1]=4 1783 B16R2.6257 O=C(C(N)C)Oc1ccc2c(c1)OCO2 Amb17339200 [0,1,0,0,0,1|0,0,1]=3 1784 B16R2.6257 O=C(C(O)C)Nc1ccc2c(c1)OCO2 Amb11208161 [0,1,0,0,0,1|1,0,1]=4 1785 B16R2.11587 CC(=C)CC(=O)c1cc2OCOc2cc1 Amb18066586 [0,1,0,0,0,1|1,0,1]=4 1786 B16R2.11587 CC(=O)NC(c1ccc2c(c1)OCO2)C Amb11280065 [0,1,0,0,0,1|1,0,1]=4 1787 B16R2.11587 CC(C)CC(Cl)c1ccc2OCCc2c1 Amb25740970 [0,1,0,0,0,1|2,0,0]=4 1788 B16R2.11587 CC(C)CN(C)c1cc2OCOc2cc1 Amb24096717 [0,1,0,0,0,1|1,0,0]=3 1789 B16R2.11587 CC(CC(=O)c1ccc2c(c1)OCO2)C Amb17194936 [0,1,0,0,0,1|1,0,0]=3 1790 B16R2.11587 CC(CC(C)Cl)c1cc2CCOc2cc1 Amb24346299 [0,1,0,0,0,1|2,0,0]=4 1791 B16R2.11587 CC(CC(c1ccc2c(c1)OCO2)N)C Amb17194993 [0,1,0,0,0,1|1,0,0]=3 1792 B16R2.11587 CC(CC(c1ccc2c(c1)OCO2)O)C Amb17195041 [0,1,0,0,0,1|1,0,0]=3 1793 B16R2.11587 CC(CN(c1ccc2c(c1)OCO2)C)O Amb17339274 [0,1,0,0,0,1|1,0,0]=3 1794 B16R2.11587 CC(N)CC(=O)c1cc2CCCc2cc1 Amb24359436 [0,1,0,0,0,1|2,0,0]=4 1795 B16R2.11587 CC(N)CC(=O)c1ccc2CCOc2c1 Amb24500621 [0,1,0,0,0,1|1,0,0]=3 1796 B16R2.11587 CC(O)CC(=O)c1cc2OCOc2cc1 Amb22441582 [0,1,0,0,0,1|1,0,0]=3 1797 B16R2.11587 CC(OC(=O)c1ccc2c(c1)OCO2)C Amb1957892 [0,1,0,0,0,1|1,0,1]=4 1798 B16R2.11587 CN(CC(c1ccc2c(c1)OCO2)Cl)C Amb17548162 [0,1,0,0,0,1|2,0,0]=4 1799 B16R2.11587 CN(CC(c1ccc2c(c1)OCO2)O)C Amb17104302 [0,1,0,0,0,1|2,0,0]=4 1800 B16R2.11587 CS(=O)CC(=O)c1cc2OCOc2cc1 Amb25790392 [0,1,0,0,0,1|2,0,0]=4 1801 B16R2.11587 NC(=O)CC(c1ccc2c(c1)OCO2)C Amb17239204 [0,1,0,0,0,1|1,0,1]=4 1802 B16R2.15331 CC(C)COc1cc2OCC(=O)c2cc1 Amb25687195 [0,1,0,0,0,1|2,0,0]=4 1803 B16R2.15331 CC(O)COc1cc2OCC(=O)c2cc1 Amb24690958 [0,1,0,0,0,1|2,0,0]=4 1804 B16R2.24931 CC(Cl)\C=C\c1cc(Cl)c2OCOc2c1 Amb25282085 [0,1,0,0,0,1|1,0,1]=4 1805 B16R2.82843 CC(C)(N)CCc1cc2CCCc2cc1 Amb18864889 [0,1,0,0,0,1|2,0,0]=4 1806 B16R2.82843 CC(CCc1ccc2c(c1)OCO2)(N)C Amb17403499 [0,1,0,0,0,1|0,0,0]=2 1807 B16R2.82843 CC(CCc1ccc2c(c1)OCO2)(O)C Amb17403640 [0,1,0,0,0,1|1,0,0]=3 1808 B16R2.82843 CC(CNc1ccc2c(c1)OCO2)(C)C Amb17239282 [0,1,0,0,0,1|1,0,0]=3 1809 B16R2.82843 CC(CNc1ccc2c(c1)OCO2)(O)C Amb17140400 [0,1,0,0,0,1|1,0,0]=3 1810 B16R2.82843 CC(COc1ccc2c(c1)CCC2)(N)C Amb17074769 [0,1,0,0,0,1|2,0,0]=4 1811 B16R2.82843 CC(COc1ccc2c(c1)OCO2)(N)C Amb17074773 [0,1,0,0,0,1|0,0,0]=2 1812 B16R2.82843 NS(=O)(=O)NCc1ccc2OCOc2c1 Amb19267984 [0,1,0,0,0,1|2,0,0]=4 1813 B16R2.3886 CC(C)(N)Cc1cc2NC(=O)Oc2cc1 Amb18895539 [0,2,0,0,0,0|1,0,1]=4 1814 B16R2.3886 CC(C)(N)Cc1cc2OC(=O)Nc2cc1 Amb18895538 [0,2,0,0,0,0|1,0,1]=4 1815 B16R2.3886 Cc1[n]c2cc(CC(C)(C)N)ccc2o1 Amb18895198 [0,2,0,0,0,0|1,0,1]=4 1816 B16R2.3886 Cc1[n]c2ccc(CC(C)(C)N)cc2o1 Amb18895212 [0,2,0,0,0,0|1,0,1]=4 1817 B16R2.3890 CN1C(=O)Oc2ccc(CC(C)N)cc12 Amb18895502 [0,2,0,0,0,0|1,0,1]=4 1818 B16R2.3891 CC(N)C(O)c1ccc2NC(=O)Oc2c1 Amb18105676 [0,2,0,0,0,0|1,0,1]=4 1819 B16R2.3946 CC(N)Cc1cc2OC(=O)N(C)c2cc1 Amb18623532 [0,2,0,0,0,0|1,0,1]=4 1820 B16R2.176344 CCC(N)Cc1cc2OC(=O)Nc2cc1 Amb18549101 [0,2,0,0,0,0|1,0,1]=4 1821 B16R2.176344 CNC(C)Cc1cc2OC(=O)Nc2cc1 Amb18552925 [0,2,0,0,0,0|1,0,1]=4 1822 B16R2.1579 CC(C)Oc1cc2OCOc2cc1C=O Amb25075304 [0,2,0,0,0,0|2,0,0]=4 1823 B16R2.1579 COc1cc2OCOc2cc1CC(=O)C Amb17595562 [0,2,0,0,0,0|1,0,1]=4 1824 B16R2.1579 COc1cc2OCOc2cc1CC(C)N Amb17673127 [0,2,0,0,0,0|0,0,0]=2 1825 B16R2.3953 CC(C)C(Br)c1cc2CCOc2cc1Br Amb25109401 [0,2,0,0,0,0|2,0,0]=4 1826 B16R2.3953 CC(C)C(Cl)c1cc2CCOc2cc1Br Amb25124169 [0,2,0,0,0,0|2,0,0]=4 1827 B16R2.34310 CN(OC)Cc1cc2OCOc2cc1O Amb10187725 [0,2,0,0,0,0|2,0,0]=4 1828 B16R2.2183 CC(CC)C(Br)c1cc2CCOc2cc1 Amb24544120 [0,2,0,0,0,0|2,0,0]=4 1829 B16R2.2183 CC(CC)C(Cl)c1cc2CCOc2cc1 Amb24660555 [0,2,0,0,0,0|2,0,0]=4 1830 B16R2.2183 CC(CN)C(=O)c1ccc2CCOc2c1 Amb25108711 [0,2,0,0,0,0|1,0,1]=4 1831 B16R2.2183 CCC(C(=O)c1ccc2c(c1)OCO2)Br Amb17437833 [0,2,0,0,0,0|1,0,1]=4 1832 B16R2.2183 CCC(Cl)C(=O)c1cc2OCOc2cc1 Amb18548851 [0,2,0,0,0,0|1,0,1]=4 1833 B16R2.2183 CCC(N)C(=O)c1cc2CCOc2cc1 Amb18675447 [0,2,0,0,0,0|1,0,1]=4 1834 B16R2.2183 CCC(N)C(=O)c1ccc2CCOc2c1 Amb18782836 [0,2,0,0,0,0|1,0,1]=4 1835 B16R2.2183 CNC(C(=O)c1ccc2c(c1)OCO2)C Amb10602115 [0,2,0,0,0,0|0,0,1]=3 1836 B16R2.2183 CNC(C)C(=O)c1cc2CCOc2cc1 Amb24359720 [0,2,0,0,0,0|1,0,1]=4 1837 B16R2.2183 CNC(C)C(=O)c1ccc2CCOc2c1 Amb25074691 [0,2,0,0,0,0|1,0,1]=4 1838 B16R2.2183 COC(=O)C(Br)c1cc2OCOc2cc1 Amb18233713 [0,2,0,0,0,0|1,0,1]=4 1839 B16R2.2183 COC(=O)C(Cl)c1cc2OCOc2cc1 Amb18227745 [0,2,0,0,0,0|1,0,1]=4 1840 B16R2.2183 COC(=O)C(N)c1cc2OCOc2cc1 Amb18968181 [0,2,0,0,0,0|1,0,1]=4 1841 B16R2.2183 ClCC(C(=O)c1ccc2c(c1)OCO2)Cl Amb17350792 [0,2,0,0,0,0|1,0,1]=4 1842 B16R2.2183 NCC(N(c1ccc2c(c1)OCO2)C)C Amb17060012 [0,2,0,0,0,0|1,0,0]=3 1843 B16R2.5271 CC(C)(Br)C(=O)c1cc2OCOc2cc1 Amb18049272 [0,2,0,0,0,0|1,0,1]=4 1844 B16R2.5271 CC(C)(C)C(Br)c1cc2CCOc2cc1 Amb25763284 [0,2,0,0,0,0|2,0,0]=4 1845 B16R2.5271 CC(C)(N)C(=O)c1cc2CCOc2cc1 Amb18675445 [0,2,0,0,0,0|1,0,1]=4 1846 B16R2.5271 CC(C)(N)C(=O)c1cc2OCOc2cc1 Amb18567865 [0,2,0,0,0,0|0,0,1]=3 1847 B16R2.5271 CC(C)(N)C(=O)c1ccc2CCOc2c1 Amb18782834 [0,2,0,0,0,0|1,0,1]=4 1848 B16R2.5271 NC(c1cc2OCOc2cc1)C(F)(F)F Amb18067456 [0,2,0,0,0,0|2,0,0]=4 1849 B16R2.5271 OC(C(N)(C)C)c1ccc2c(c1)OCO2 Amb17082116 [0,2,0,0,0,0|0,0,0]=2 1850 B16R2.5480 BrCC(c1ccc2c(c1)OCO2)C(C)C Amb17275320 [0,2,0,0,0,0|1,0,0]=3 1851 B16R2.5480 CNC(c1ccc2c(c1)OCO2)C(=O)N Amb17339004 [0,2,0,0,0,0|1,0,1]=4 1852 B16R2.5480 ClCC(c1ccc2c(c1)OCO2)C(C)C Amb17247527 [0,2,0,0,0,0|1,0,0]=3 1853 B16R2.5480 ClCC(c1ccc2c(c1)OCO2)N(C)C Amb17247950 [0,2,0,0,0,0|2,0,0]=4 1854 B16R2.5480 N#CC(c1ccc2c(c1)OCO2)C(C)C Amb17237648 [0,2,0,0,0,0|1,0,0]=3 1855 B16R2.5480 NCC(c1ccc2c(c1)OCO2)C(C)C Amb17239307 [0,2,0,0,0,0|1,0,0]=3 1856 B16R2.5480 O=CC(c1ccc2c(c1)OCO2)C(C)C Amb17238811 [0,2,0,0,0,0|1,0,0]=3 1857 B16R2.5480 OCC(c1ccc2c(c1)OCO2)C(C)C Amb17239771 [0,2,0,0,0,0|1,0,0]=3 1858 B16R2.5480 OCC(c1ccc2c(c1)OCO2)N(C)C Amb17240197 [0,2,0,0,0,0|2,0,0]=4 1859 B16R2.24930 NC(=O)C(N)c1cc(Br)c2OCOc2c1 Amb25181301 [0,2,0,0,0,0|1,0,1]=4 1860 B16R2.24930 NC(=O)C(N)c1cc(Cl)c2OCOc2c1 Amb18955318 [0,2,0,0,0,0|1,0,1]=4 1861 B16R2.27234 CC(=O)C(c1ccc2c(c1)OCO2)(C)C Amb17571125 [0,2,0,0,0,0|1,0,1]=4 1862 B16R2.27234 CC(C)C(C)(N)c1cc2OCOc2cc1 Amb18567951 [0,2,0,0,0,0|1,0,0]=3 1863 B16R2.27234 CC(N)(c1cc2OCOc2cc1)C(N)=O Amb18949650 [0,2,0,0,0,0|1,0,1]=4 1864 B16R2.2151 CC(CCN)Cc1cc2CCCc2cc1 Amb18785234 [0,2,0,0,0,0|2,0,0]=4 1865 B16R2.2151 CC(CCN)Cc1ccc2OCOc2c1 Amb18779011 [0,2,0,0,0,0|0,0,0]=2 1866 B16R2.2151 CCCC(=O)Cc1ccc2c(c1)OCO2 Amb17595505 [0,2,0,0,0,0|1,0,1]=4 1867 B16R2.2151 CCCC(Br)Cc1ccc2OCOc2c1 Amb18548978 [0,2,0,0,0,0|1,0,0]=3 1868 B16R2.2151 CCCC(Cc1ccc2c(c1)OCO2)O Amb17595577 [0,2,0,0,0,0|1,0,0]=3 1869 B16R2.2151 CCCC(N)Cc1cc2CCCc2cc1 Amb18049735 [0,2,0,0,0,0|2,0,0]=4 1870 B16R2.2151 CCCC(N)Cc1ccc2OCOc2c1 Amb18049731 [0,2,0,0,0,0|0,0,0]=2 1871 B16R2.2151 CCCN(Cc1ccc2c(c1)OCO2)C Amb11153658 [0,2,0,0,0,0|2,0,0]=4 1872 B16R2.2151 CCNC(C)Cc1cc2CCCc2cc1 Amb18053843 [0,2,0,0,0,0|2,0,0]=4 1873 B16R2.2151 CCNC(C)Cc1ccc2NCCc2c1 Amb18050818 [0,2,0,0,0,0|2,0,0]=4 1874 B16R2.2151 CCNC(C)Cc1ccc2OCOc2c1 Amb17939599 [0,2,0,0,0,0|0,0,0]=2 1875 B16R2.2151 CCNC(Cc1ccc2c(c1)OCO2)C Amb17617392 [0,2,0,0,0,0|0,0,0]=2 1876 B16R2.2151 CN(CCN)Cc1cc2CCOc2cc1 Amb18313582 [0,2,0,0,0,0|2,0,0]=4 1877 B16R2.2151 CN(Cc1ccc2OCOc2c1)CC#C Amb21536711 [0,2,0,0,0,0|2,0,0]=4 1878 B16R2.2151 CN(Cc1ccc2OCOc2c1)CC=C Amb21536678 [0,2,0,0,0,0|2,0,0]=4 1879 B16R2.2151 CNCC(Cc1ccc2c(c1)OCO2)O Amb17240198 [0,2,0,0,0,0|1,0,0]=3 1880 B16R2.2151 ClCCN(Cc1ccc2c(c1)OCO2)C Amb17343967 [0,2,0,0,0,0|2,0,0]=4 1881 B16R2.2151 N#CCC(Nc1ccc2c(c1)OCO2)C Amb17139943 [0,2,0,0,0,0|1,0,1]=4 1882 B16R2.2151 N#CCC(Oc1ccc2c(c1)OCO2)C Amb17238326 [0,2,0,0,0,0|1,0,1]=4 1883 B16R2.2151 N#CCN(Cc1ccc2c(c1)OCO2)C Amb17338101 [0,2,0,0,0,0|1,0,1]=4 1884 B16R2.2151 NCCC(Oc1ccc2c(c1)OCO2)C Amb17240213 [0,2,0,0,0,0|1,0,0]=3 1885 B16R2.2151 NCCN(Cc1ccc2c(c1)OCO2)C Amb17339074 [0,2,0,0,0,0|1,0,0]=3 1886 B16R2.2151 O=C=NC(Cc1ccc2c(c1)OCO2)C Amb17104013 [0,2,0,0,0,0|0,0,1]=3 1887 B16R2.2151 OCCC(Oc1ccc2c(c1)OCO2)C Amb17240543 [0,2,0,0,0,0|2,0,0]=4 1888 B16R2.2151 O\N=C\C(Cc1ccc2c(c1)OCO2)C Amb16756854 [0,2,0,0,0,0|0,0,1]=3 1889 B16R2.11850 CCC(Cc1cc2CCCc2cc1)NC Amb18049113 [0,2,0,0,0,0|2,0,0]=4 1890 B16R2.11850 CCC(Cc1ccc2OCOc2c1)NC Amb17670312 [0,2,0,0,0,0|0,0,0]=2 1891 B16R2.11850 CCC(Cc1ccc2OCOc2c1)NC Amb22055721 [0,2,0,0,0,0|0,0,0]=2 1892 B16R2.11850 CCN(Cc1ccc2OCOc2c1)CC Amb24184749 [0,2,0,0,0,0|2,0,0]=4 1893 B16R2.11850 N#CC(CO)Cc1ccc2OCOc2c1 Amb23537894 [0,2,0,0,0,0|0,0,1]=3 1894 B16R2.11850 OCC(Cc1ccc2c(c1)OCO2)CO Amb17403961 [0,2,0,0,0,0|1,0,0]=3 1895 B16R2.21744 BrCC(Oc1ccc2c(c1)OCO2)(C)C Amb17276811 [0,2,0,0,0,0|2,0,0]=4 1896 B16R2.21744 CC(C)(CN)Cc1cc2CCCc2cc1 Amb18566818 [0,2,0,0,0,0|2,0,0]=4 1897 B16R2.21744 CNC(C)(C)Cc1cc2CCCc2cc1 Amb18566817 [0,2,0,0,0,0|2,0,0]=4 1898 B16R2.21744 CNC(Cc1ccc2c(c1)OCO2)(C)C Amb17403500 [0,2,0,0,0,0|0,0,0]=2 1899 B16R2.21744 ClCC(Oc1ccc2c(c1)OCO2)(C)C Amb17248317 [0,2,0,0,0,0|2,0,0]=4 1900 B16R2.21744 N#CC(Cc1ccc2c(c1)OCO2)(C)C Amb17333818 [0,2,0,0,0,0|0,0,1]=3 1901 B16R2.21744 N#CC(Cc1ccc2c(c1)OCO2)(N)C Amb17237995 [0,2,0,0,0,0|0,0,0]=2 1902 B16R2.21744 N#CC(Nc1ccc2c(c1)OCO2)(C)C Amb17402860 [0,2,0,0,0,0|1,0,1]=4 1903 B16R2.21744 NCC(Cc1ccc2c(c1)OCO2)(C)C Amb17333860 [0,2,0,0,0,0|0,0,0]=2 1904 B16R2.21744 NCC(Cc1ccc2c(c1)OCO2)(O)C Amb17082153 [0,2,0,0,0,0|0,0,0]=2 1905 B16R2.21744 NCC(Oc1ccc2c(c1)OCO2)(C)C Amb17074838 [0,2,0,0,0,0|1,0,0]=3 1906 B16R2.21744 OCC(Oc1ccc2c(c1)OCO2)(C)C Amb17240542 [0,2,0,0,0,0|2,0,0]=4 1907 B16R2.34363 Cc1coc2ccc(CC(N)CC)cc12 Amb18676601 [0,2,0,0,0,0|1,0,1]=4 1908 B16R2.40078 COc1cc(CC(Br)C)cc2c1OCO2 Amb1102539 [0,2,0,0,0,0|1,0,0]=3 1909 B14R2.1197 COc1cc2OC(C)Cc2cc1O Amb24089267 [0,0,1,1,0,0|1,0,0]=3 1910 B14R2.1197 Cc1cc2CC(N)Cc2[n]c1OC Amb18195197 [0,0,1,1,0,0|2,0,0]=4 1911 B14R2.1197 Cc1cc2CC(N)Cc2cc1OC Amb21963432 [0,0,1,1,0,0|1,0,0]=3 1912 B14R2.1197 Cc1cc2CC(N)Cc2cc1OC Amb22751628 [0,0,1,1,0,0|1,0,0]=3 1913 B14R2.1197 Cc1cc2cc(O)c(cc2[nH]1)OC Amb25073212 [0,0,1,1,0,0|0,0,2]=4 1914 B14R2.3063 CCc1ccc(CC2CC2)cc1O Amb25719390 [0,0,1,1,0,0|2,0,0]=4 1915 B14R2.3063 CSc1ccc(CC2CC2)cc1O Amb24582980 [0,0,1,1,0,0|1,1,0]=4 1916 B14R2.3064 COc1ccc(cc1Br)C2CC2N Amb17410543 [0,0,1,1,0,0|1,0,0]=3 1917 B14R2.3064 COc1ccc(cc1C)C2CC2N Amb17400620 [0,0,1,1,0,0|1,0,0]=3 1918 B14R2.3064 COc1ccc(cc1Cl)C2CC2N Amb17402232 [0,0,1,1,0,0|1,0,0]=3 1919 B14R2.3064 COc1ccc(cc1F)C2CC2Br Amb25709347 [0,0,1,1,0,0|2,0,0]=4 1920 B14R2.3064 COc1ccc(cc1F)C2CC2N Amb17400867 [0,0,1,1,0,0|1,0,0]=3 1921 B14R2.3064 COc1ccc(cc1F)[C@@H]2C[C@H]2Br Amb25041701 [0,0,1,1,0,0|2,0,0]=4 1922 B14R2.3302 Cc1cc2ccc(OC)c(O)c2[nH]1 Amb24707862 [0,0,1,1,0,0|0,0,2]=4 1923 B14R2.3164 CC1CC1c2cc(OC)c(O)cc2 Amb24578300 [0,0,1,1,0,0|1,0,0]=3 1924 B14R2.3164 COc1cc(ccc1O)C2CC2N Amb17568126 [0,0,1,1,0,0|0,0,0]=2 1925 B14R2.3164 C[C@@H]1C[C@H]1c2cc(OC)c(O)cc2 Amb24723965 [0,0,1,1,0,0|1,0,0]=3 1926 B14R2.3168 COc1cc(CC2CC2)ccc1O Amb22752221 [0,0,1,1,0,0|1,0,0]=3 1927 B14R2.3168 COc1cc(CC2CO2)ccc1Cl Amb24666209 [0,0,1,1,0,0|2,0,0]=4 1928 B14R2.3168 COc1cc(CC2CO2)ccc1O Amb24065703 [0,0,1,1,0,0|1,0,0]=3 1929 B14R2.3168 COc1cc(C[C@@H]2CO2)ccc1O Amb25233769 [0,0,1,1,0,0|1,0,0]=3 1930 B14R2.3168 COc1cc(C[C@H]2CO2)ccc1O Amb25116574 [0,0,1,1,0,0|1,0,0]=3 1931 B14R2.3809 COc1c(O)ccc2CC(=O)Nc12 Amb25756970 [0,0,1,1,0,0|1,0,1]=4 1932 B14R2.3809 Cc1cc2ccc(O)c(OC)c2[nH]1 Amb25207059 [0,0,1,1,0,0|0,0,2]=4 1933 B14R2.96 CCCc1ccc(cc1)C2CC2N Amb17400532 [0,0,1,1,0,0|2,0,0]=4 1934 B14R2.96 CCOc1ccc(cc1)C2CC2Br Amb25260296 [0,0,1,1,0,0|2,0,0]=4 1935 B14R2.96 CCOc1ccc(cc1)[C@@H]2C[C@H]2N Amb25094792 [0,0,1,1,0,0|1,0,0]=3 1936 B14R2.1006 CC(C)Cc1ccc(cc1)[C@@H]2CO2 Amb24491250 [0,0,1,1,0,0|2,0,0]=4 1937 B14R2.1006 CC(Cc1ccc(cc1)C2OC2)C Amb1127275 [0,0,1,1,0,0|2,0,0]=4 1938 B14R2.535 CCOc1cccc2CC(N)Cc21 Amb25337202 [0,0,1,1,0,0|1,0,0]=3 1939 B14R2.805 CCOc1cc(ccc1)[C@@H]2C[C@H]2Br Amb24581161 [0,0,1,1,0,0|2,0,0]=4 1940 B14R2.805 CCOc1cc(ccc1)[C@@H]2C[C@H]2N Amb25112946 [0,0,1,1,0,0|1,0,0]=3 1941 B14R2.805 CCOc1cc(ccc1)[C@H]2C[C@@H]2N Amb24659777 [0,0,1,1,0,0|1,0,0]=3 1942 B14R2.805 CCOc1cccc(c1)C2CC2N Amb17138816 [0,0,1,1,0,0|1,0,0]=3 1943 B14R2.9440 CC(C)Nc1cccc2OCOc21 Amb24505659 [0,0,1,1,0,0|2,0,0]=4 1944 B14R2.9440 CC(N)Cc1cccc2CCOc12 Amb25375704 [0,0,1,1,0,0|1,0,0]=3 1945 B14R2.9440 CC(N)Cc1cccc2OCCc12 Amb24653490 [0,0,1,1,0,0|1,0,0]=3 1946 B14R2.9440 CC(N)Cc1cccc2OCOc12 Amb18194688 [0,0,1,1,0,0|0,0,0]=2 1947 B14R2.9440 CC(N)Cc1cccc2ccoc21 Amb24679071 [0,0,1,1,0,0|1,0,1]=4 1948 B14R2.9440 CC(N)Cc1cccc2occc21 Amb24695399 [0,0,1,1,0,0|1,0,1]=4 1949 B14R2.9440 C[C@@H](N)Cc1cccc2CCCc12 Amb25328479 [0,0,1,1,0,0|2,0,0]=4 1950 B14R2.9440 C[C@@H](N)Cc1cccc2CCOc12 Amb24403371 [0,0,1,1,0,0|1,0,0]=3 1951 B14R2.9440 NC(=O)Cc1cccc2OCOc12 Amb25771773 [0,0,1,1,0,0|1,0,1]=4 1952 B14R2.4497 CC(N)c1c(Br)ccc2OCOc21 Amb24350535 [0,0,1,1,0,0|1,0,1]=4 1953 B14R2.4497 C[C@H](N)c1c(Br)ccc2OCOc21 Amb24727169 [0,0,1,1,0,0|1,0,1]=4 1954 B14R3.3015 C1CC1c2cc3o[n]cc3cc2 Amb25818421 [1,0,0,1,0,0|2,0,0]=4 1955 B14R3.3015 C1CNc2cc(ccc21)C3CC3 Amb24563728 [1,0,0,1,0,0|2,0,0]=4 1956 B14R3.3015 C1NC1c2cc3CCCc3cc2 Amb18224395 [1,0,0,1,0,0|2,0,0]=4 1957 B14R3.3015 C1OC1c2cc3CCOc3cc2 Amb18798095 [1,0,0,1,0,0|2,0,0]=4 1958 B14R3.3015 C1OC1c2cc3OCCc3cc2 Amb23586296 [1,0,0,1,0,0|2,0,0]=4 1959 B14R3.3015 C1Oc2c(O1)cc(cc2)C3CO3 Amb1127751 [1,0,0,1,0,0|1,0,0]=3 1960 B14R3.3015 C1Oc2cc(ccc2O1)C3CN3 Amb18862568 [1,0,0,1,0,0|0,0,0]=2 1961 B14R3.3015 C1Oc2cc(ccc2O1)[C@H]3CO3 Amb25822548 [1,0,0,1,0,0|1,0,0]=3 1962 B14R3.3022 C1CCc2cc3CCCc3cc21 Amb22356850 [1,0,0,1,0,0|2,0,0]=4 1963 B14R3.3022 C1CCc2cc3occc3cc21 Amb24071781 [1,0,0,1,0,0|1,0,1]=4 1964 B14R3.3022 C1Cc2c(C1)cc3c(c2)OCO3 Amb17232403 [1,0,0,1,0,0|0,0,0]=2 1965 B14R3.3022 C1Cc2c(O1)cc3c(c2)OCC3 Amb17620444 [1,0,0,1,0,0|2,0,0]=4 1966 B14R3.3022 C1Cc2cc3OCCc3cc2N1 Amb25233905 [1,0,0,1,0,0|1,0,0]=3 1967 B14R3.3022 C1NCc2cc3OCCc3cc21 Amb18829941 [1,0,0,1,0,0|2,0,0]=4 1968 B14R3.3022 C1NCc2cc3OCOc3cc21 Amb23399687 [1,0,0,1,0,0|1,0,0]=3 1969 B14R3.3022 C1Oc2c(O1)cc3c(c2)[nH]nn3 Amb10244532 [1,0,0,1,0,0|2,0,0]=4 1970 B14R3.3022 C1Oc2cc3=NCN=c3cc2O1 Amb24091709 [1,0,0,1,0,0|1,0,1]=4 1971 B14R3.3022 C1Oc2cc3CCNc3cc2O1 Amb18829467 [1,0,0,1,0,0|0,0,0]=2 1972 B14R3.3022 C1Oc2cc3c[n][nH]c3cc2O1 Amb24330437 [1,0,0,1,0,0|1,0,1]=4 1973 B14R3.3046 C1CNc2c3ccoc3ccc21 Amb18830385 [1,0,0,1,0,0|1,0,1]=4 1974 B14R3.3046 C1CNc2c3occc3ccc21 Amb18830384 [1,0,0,1,0,0|1,0,1]=4 1975 B14R3.3046 C1NCc2c3OCOc3ccc21 Amb18829456 [1,0,0,1,0,0|1,0,0]=3 1976 B14R3.8268 ClC1Cc2cc3OCOc3cc21 Amb21948326 [1,0,0,1,0,0|1,0,0]=3 1977 B14R3.8268 O=C1Cc2cc3OCOc3cc12 Amb17850797 [1,0,0,1,0,0|1,0,1]=4 1978 B14R3.194 O=C1Nc2c3OCOc3ccc21 Amb24532727 [0,0,0,1,1,0|1,0,1]=4 1979 B16R3.2273 CC1Cc2cc3OCCOc3cc2N1 Amb24514355 [0,0,0,1,0,1|0,0,0]=2 1980 B16R3.2273 Cc1cc2cc3OCCOc3cc2[nH]1 Amb18893876 [0,0,0,1,0,1|0,0,2]=4 1981 B16R3.2273 NC1CC=2CC3OCCOC3=CC2C1 Amb24101465 [0,0,0,1,0,1|0,0,2]=4 1982 B16R3.2273 NC1Cc2cc3CCCCc3cc2C1 Amb25664158 [0,0,0,1,0,1|2,0,0]=4 1983 B16R3.2273 NC1Cc2cc3OCCOc3cc2C1 Amb25068849 [0,0,0,1,0,1|0,0,0]=2 1984 B16R3.2273 O=C1Cc2c(N1)cc3c(c2)OCCO3 Amb17506808 [0,0,0,1,0,1|1,0,1]=4 1985 B16R3.5186 Br[C@@H]1C[C@H]1c2ccc3OCCOc3c2 Amb24551309 [0,0,0,1,0,1|1,0,0]=3 1986 B16R3.5186 NC1CC1c2ccc3OCCOc3c2 Amb19375128 [0,0,0,1,0,1|0,0,0]=2 1987 B16R3.5186 NC1CC1c2ccc3c(c2)CCCC3 Amb17401153 [0,0,0,1,0,1|2,0,0]=4 1988 B16R3.63903 C1COc2cc(ccc2O1)NC3CC3 Amb24389364 [0,0,0,1,0,1|2,0,0]=4 1989 B16R3.6439 C(NC1CC1)c2ccc3CCOc3c2 Amb25381262 [0,0,0,1,0,1|2,0,0]=4 1990 B16R3.6439 C(Nc1ccc2CCOc2c1)C3CC3 Amb24726103 [0,0,0,1,0,1|2,0,0]=4 1991 B16R3.6439 C(Oc1cc2OCOc2cc1)[C@H]3CO3 Amb24719004 [0,0,0,1,0,1|1,0,0]=3 1992 B16R3.6439 C1OC1\C=C\c2cc3OCOc3cc2 Amb24540789 [0,0,0,1,0,1|1,0,1]=4 1993 B16R3.6439 C1Oc2c(O1)cc(cc2)CNC3CC3 Amb1925774 [0,0,0,1,0,1|1,0,0]=3 1994 B16R3.10840 CC1CCc2cc3OCOc3cc2N1 Amb25804683 [0,0,0,1,0,1|0,0,0]=2 1995 B16R3.10840 CC1CNc2c(N1)cc3c(c2)OCO3 Amb17468298 [0,0,0,1,0,1|0,0,0]=2 1996 B16R3.10840 CC1COc2cc3oc[n]c3cc2N1 Amb18819579 [0,0,0,1,0,1|1,0,1]=4 1997 B16R3.10840 CC1Cc2cc3OCCc3cc2NC1 Amb24614634 [0,0,0,1,0,1|2,0,0]=4 1998 B16R3.10840 CN1CCc2cc3OCOc3cc2C1 Amb17760626 [0,0,0,1,0,1|2,0,0]=4 1999 B16R3.10840 CN1Cc2cc3OCOc3cc2CC1 Amb18463460 [0,0,0,1,0,1|2,0,0]=4 2000 B16R3.10840 CN=1CCc2cc3OCOc3cc2C1 Amb22349990 [0,0,0,1,0,1|2,0,0]=4 2001 B16R3.10840 C[N+]=1CCc2cc3OCOc3cc2C1 Amb23440745 [0,0,0,1,0,1|2,0,0]=4 2002 B16R3.10840 NC1Cc2cc3CCOc3cc2CC1 Amb18650245 [0,0,0,1,0,1|1,0,0]=3 2003 B16R3.10840 NC1Cc2cc3OCCc3cc2CC1 Amb18650242 [0,0,0,1,0,1|1,0,0]=3 2004 B16R3.10840 NC1Cc2cc3OCOc3cc2CC1 Amb21964515 [0,0,0,1,0,1|0,0,0]=2 2005 B16R3.10840 NC1Cc2cc3OCOc3cc2NC1 Amb25818719 [0,0,0,1,0,1|0,0,0]=2 2006 B16R3.10840 NC1Cc2cc3OCOc3cc2OC1 Amb25112292 [0,0,0,1,0,1|0,0,0]=2 2007 B16R3.10840 N[C@@H]1Cc2cc3CCOc3cc2CC1 Amb24697679 [0,0,0,1,0,1|1,0,0]=3 2008 B16R3.10840 N[C@H]1Cc2cc3CCOc3cc2CC1 Amb24670294 [0,0,0,1,0,1|1,0,0]=3 2009 B16R3.10840 N[C@H]1Cc2cc3OCOc3cc2CC1 Amb25793128 [0,0,0,1,0,1|0,0,0]=2 2010 B16R3.10840 O=C1CCc2c(N1)cc3c(c2)OCO3 Amb13892356 [0,0,0,1,0,1|1,0,1]=4 2011 B16R3.10840 O=C1CNc2c(N1)cc3c(c2)OCO3 Amb17468795 [0,0,0,1,0,1|1,0,1]=4 2012 B16R3.10840 O=C1COc2c(N1)cc3c(c2)OCO3 Amb1092049 [0,0,0,1,0,1|1,0,1]=4 2013 B16R3.10840 O=C1Cc2cc3OCOc3cc2CN1 Amb24756725 [0,0,0,1,0,1|1,0,1]=4 2014 B16R3.10840 O=C1Cc2cc3OCOc3cc2CO1 Amb22468873 [0,0,0,1,0,1|1,0,1]=4 2015 B16R3.10840 O=C1Cc2cc3OCOc3cc2NC1 Amb25283145 [0,0,0,1,0,1|1,0,1]=4 2016 B16R3.10840 O=C1Cc2cc3OCOc3cc2OC1 Amb24405295 [0,0,0,1,0,1|1,0,1]=4 2017 B16R3.12408 CC1(C)CNc2cc3OCOc3cc12 Amb18894086 [0,0,0,1,0,1|1,0,0]=3 2018 B16R3.3456 Clc1cc2OCOc2cc1OC3CC3 Amb25665675 [0,1,0,1,0,0|2,0,0]=4 2019 B16R3.126354 O=S1(=O)Cc2cc3OCOc3cc2C1 Amb24463419 [0,1,0,1,0,0|2,0,0]=4 2020 B16R3.3403 NC1CCC1c2ccc3CCOc3c2 Amb24443158 [0,1,0,1,0,0|1,0,0]=3 2021 B16R3.3403 NC1CCC1c2ccc3OCOc3c2 Amb25059137 [0,1,0,1,0,0|0,0,0]=2 2022 B16R3.10656 ClC(C1CC1)c2ccc3OCCc3c2 Amb25164718 [0,1,0,1,0,0|2,0,0]=4 2023 B16R3.10656 N[C@@H](C1CC1)c2ccc3OCCc3c2 Amb25214641 [0,1,0,1,0,0|2,0,0]=4 2024 B16R3.10656 N[C@H](C1CC1)c2ccc3CCOc3c2 Amb24709291 [0,1,0,1,0,0|2,0,0]=4 2025 B16R3.10656 O=C(c1ccc2c(c1)OCO2)C3CC3 Amb17194602 [0,1,0,1,0,0|1,0,1]=4 2026 B16R3.10656 OC(C1CC1)c2ccc3CCOc3c2 Amb24499916 [0,1,0,1,0,0|2,0,0]=4 2027 B16R3.10656 OC(C1CC1)c2ccc3OCCc3c2 Amb19060918 [0,1,0,1,0,0|2,0,0]=4 2028 B16R3.10656 OC(C1CO1)c2ccc3OCCc3c2 Amb24534931 [0,1,0,1,0,0|2,0,0]=4 2029 B16R3.10656 OC(c1ccc2c(c1)OCO2)C3CC3 Amb17194654 [0,1,0,1,0,0|1,0,0]=3 2030 B16R3.10656 O[C@H](C1CC1)c2cc3OCOc3cc2 Amb24455521 [0,1,0,1,0,0|1,0,0]=3 2031 B16R3.13964 CC1CC1(N)c2cc3OCOc3cc2 Amb25228358 [0,1,0,1,0,0|1,0,0]=3 2032 B16R3.29646 CC1C(=O)Nc2cc3OCOc3cc21 Amb18894041 [0,1,0,1,0,0|1,0,1]=4 2033 B16R3.29646 CC1Cc2c(C1=O)cc3c(c2)OCO3 Amb17234859 [0,1,0,1,0,0|1,0,0]=3 2034 B16R3.29646 CC1Cc2c(C1N)cc3c(c2)OCO3 Amb17235079 [0,1,0,1,0,0|0,0,0]=2 2035 B16R3.29646 CC1Oc2cc3OCOc3cc2C1=O Amb19073781 [0,1,0,1,0,0|1,0,1]=4 2036 B16R3.29646 CC1Oc2cc3OCOc3cc2C1N Amb19061667 [0,1,0,1,0,0|1,0,0]=3 2037 B16R3.29646 CC1Oc2cc3OCOc3cc2C1O Amb25374801 [0,1,0,1,0,0|1,0,0]=3 2038 B16R3.29646 CN1C(=O)Cc2cc3OCOc3cc12 Amb25851321 [0,1,0,1,0,0|1,0,1]=4 2039 B16R3.29646 Cc1c2cc3OCOc3cc2[nH]c1C Amb18893875 [0,1,0,1,0,0|0,0,2]=4 2040 B16R3.29646 NC1C(=O)Nc2cc3OCOc3cc21 Amb18894149 [0,1,0,1,0,0|1,0,1]=4 2041 B16R3.29646 NC1Cc2cc3OCOc3cc2C1O Amb25101612 [0,1,0,1,0,0|0,0,0]=2 2042 B16R3.322 CN1Cc2ccc3OCOc3c2C1=O Amb24418896 [0,1,0,1,0,0|2,0,0]=4 2043 B16R3.1240 CCc1[nH]c2c(n1)cc3c(c2)OCO3 Amb17119499 [0,1,0,1,0,0|1,0,1]=4 2044 B16R3.1240 CCc1cc2cc3OCOc3cc2[nH]1 Amb25843761 [0,1,0,1,0,0|0,0,2]=4 2045 B16R3.1240 CNC1Cc2cc3OCOc3cc2C1 Amb22055772 [0,1,0,1,0,0|0,0,0]=2 2046 B16R3.1240 CNc1[nH]c2cc3OCOc3cc2[n]1 Amb19095183 [0,1,0,1,0,0|1,0,1]=4 2047 B16R3.2120 CC1Cc2ccc3OCOc3c2CN1 Amb24677752 [0,1,0,1,0,0|0,0,0]=2 2048 B16R3.2120 NC1Cc2ccc3CCCc3c2CC1 Amb25709171 [0,1,0,1,0,0|2,0,0]=4 2049 B16R3.2120 NC1Cc2ccc3OCOc3c2CC1 Amb25181227 [0,1,0,1,0,0|0,0,0]=2 2050 B16R3.2120 N[C@@H]1Cc2ccc3CCCc3c2CC1 Amb25703134 [0,1,0,1,0,0|2,0,0]=4 2051 B16R3.2120 N[C@@H]1Cc2ccc3OCCc3c2CC1 Amb25062970 [0,1,0,1,0,0|1,0,0]=3 2052 B16R3.2120 N[C@@H]1Cc2ccc3OCOc3c2CC1 Amb25372034 [0,1,0,1,0,0|0,0,0]=2 2053 B16R3.2120 N[C@H]1Cc2ccc3OCOc3c2CC1 Amb25859261 [0,1,0,1,0,0|0,0,0]=2 2054 B16R3.2120 O=C1Cc2ccc3OCOc3c2CC1 Amb25033605 [0,1,0,1,0,0|1,0,1]=4 2055 B16R3.5012 C(C1CNC1)c2cc3CCCc3cc2 Amb18564448 [0,1,0,1,0,0|2,0,0]=4 2056 B16R3.5012 C1NCC1Nc2cc3OCOc3cc2 Amb24526243 [0,1,0,1,0,0|1,0,0]=3 2057 B16R3.5012 C1Oc2cc(ccc2O1)NC3CCC3 Amb19078507 [0,1,0,1,0,0|2,0,0]=4 2058 B16R3.5012 C1Oc2cc(ccc2O1)OC3CCC3 Amb24367683 [0,1,0,1,0,0|2,0,0]=4 2059 B16R3.5012 C1Oc2cc(ccc2O1)OC3CNC3 Amb19061670 [0,1,0,1,0,0|1,0,0]=3 2060 B16R3.9710 ClCC1CC1c2cc3OCOc3cc2 Amb25036919 [0,1,0,1,0,0|1,0,0]=3 2061 B16R3.9710 ClCC1CC1c2ccc3OCCc3c2 Amb25074454 [0,1,0,1,0,0|2,0,0]=4 2062 B16R3.9710 N#CC1CC1c2ccc3c(c2)OCO3 Amb17234377 [0,1,0,1,0,0|0,0,1]=3 2063 B16R3.9710 NCC1CC1c2ccc3OCCc3c2 Amb19072383 [0,1,0,1,0,0|1,0,0]=3 2064 B16R3.9710 NCC1CC1c2ccc3c(c2)OCO3 Amb17235060 [0,1,0,1,0,0|0,0,0]=2 2065 B16R3.9710 OCC1CC1c2ccc3OCCc3c2 Amb25355558 [0,1,0,1,0,0|2,0,0]=4 2066 B16R3.104276 NC1(Cc2cc3CCCc3cc2)CC1 Amb25074733 [0,1,0,1,0,0|2,0,0]=4 2067 B16R3.18341 CC1Cc2ccc3C(=O)COc3c2O1 Amb18191036 [0,1,0,1,0,0|2,0,0]=4 2068 B16R3.134343 CN1CCc2cc(ccc12)C3CC3N Amb19077461 [0,1,0,1,0,0|2,0,0]=4 2069 B16R3.99485 Fc1c2OCOc2ccc1OC3CC3 Amb24410369 [0,1,0,1,0,0|2,0,0]=4 2070 B12R1.48 CCc1ccc(cc1Br)C(C)N Amb24623038 [0,0,1,0,1,0|2,0,0]=4 2071 B12R1.48 CCc1ccc(cc1Cl)C(C)N Amb18277507 [0,0,1,0,1,0|2,0,0]=4 2072 B12R1.48 CCc1ccc(cc1O)C(C)C Amb24084056 [0,0,1,0,1,0|2,0,0]=4 2073 B12R1.48 COc1[n]cc(cc1N)C(C)N Amb25779266 [0,0,1,0,1,0|2,0,0]=4 2074 B12R1.48 COc1[n]cc(cc1N)[C@@H](C)N Amb24484157 [0,0,1,0,1,0|2,0,0]=4 2075 B12R1.48 COc1ccc([n]c1Br)[C@H](C)N Amb25224901 [0,0,1,0,1,0|2,0,0]=4 2076 B12R1.48 COc1ccc(cc1Br)C(C)C Amb18246123 [0,0,1,0,1,0|2,0,0]=4 2077 B12R1.48 COc1ccc(cc1Br)C(O)C Amb1109911 [0,0,1,0,1,0|2,0,0]=4 2078 B12R1.48 COc1ccc(cc1C)C(Br)C Amb17447080 [0,0,1,0,1,0|2,0,0]=4 2079 B12R1.48 COc1ccc(cc1C)C(Cl)C Amb17139099 [0,0,1,0,1,0|2,0,0]=4 2080 B12R1.48 COc1ccc(cc1C)C(O)C Amb17138605 [0,0,1,0,1,0|2,0,0]=4 2081 B12R1.48 COc1ccc(cc1Cl)C(C)Br Amb19514795 [0,0,1,0,1,0|2,0,0]=4 2082 B12R1.48 COc1ccc(cc1Cl)C(C)Cl Amb25262035 [0,0,1,0,1,0|2,0,0]=4 2083 B12R1.48 COc1ccc(cc1Cl)C(C)O Amb18034504 [0,0,1,0,1,0|2,0,0]=4 2084 B12R1.48 COc1ccc(cc1Cl)N(N)C Amb17234363 [0,0,1,0,1,0|2,0,0]=4 2085 B12R1.48 COc1ccc(cc1Cl)[C@@H](C)O Amb24454109 [0,0,1,0,1,0|2,0,0]=4 2086 B12R1.48 COc1ccc(cc1Cl)[C@H](C)O Amb20241604 [0,0,1,0,1,0|2,0,0]=4 2087 B12R1.48 COc1ccc(cc1F)C(C)C Amb24540932 [0,0,1,0,1,0|2,0,0]=4 2088 B12R1.48 COc1ccc(cc1F)C(C)N Amb20623717 [0,0,1,0,1,0|1,0,0]=3 2089 B12R1.48 COc1ccc(cc1F)C(N)C Amb1106104 [0,0,1,0,1,0|1,0,0]=3 2090 B12R1.48 COc1ccc(cc1F)C(O)C Amb1110407 [0,0,1,0,1,0|2,0,0]=4 2091 B12R1.48 COc1ccc(cc1F)[C@@H](C)N Amb22288626 [0,0,1,0,1,0|1,0,0]=3 2092 B12R1.48 COc1ccc(cc1F)[C@@H](C)N Amb22746758 [0,0,1,0,1,0|1,0,0]=3 2093 B12R1.48 COc1ccc(cc1F)[C@H](C)N Amb22008509 [0,0,1,0,1,0|1,0,0]=3 2094 B12R1.48 COc1ccc(cc1F)[C@H](C)N Amb22504243 [0,0,1,0,1,0|1,0,0]=3 2095 B12R1.48 COc1ccc(cc1I)C(C)N Amb24695337 [0,0,1,0,1,0|1,0,0]=3 2096 B12R1.48 COc1ccc(cc1I)[C@H](C)N Amb24382685 [0,0,1,0,1,0|1,0,0]=3 2097 B12R1.48 COc1ccc(cc1N)C(C)C Amb17203734 [0,0,1,0,1,0|2,0,0]=4 2098 B12R1.48 COc1ccc(cc1N)C(C)N Amb24392939 [0,0,1,0,1,0|1,0,0]=3 2099 B12R1.48 COc1ccc(cc1N)[C@@H](C)N Amb24623061 [0,0,1,0,1,0|1,0,0]=3 2100 B12R1.48 COc1ccc(cc1N)[C@H](C)N Amb24707711 [0,0,1,0,1,0|1,0,0]=3 2101 B12R1.48 COc1ccc(cc1O)C(=S)N Amb1118278 [0,0,1,0,1,0|1,0,1]=4 2102 B12R1.48 COc1ccc(cc1O)C(C)C Amb17203736 [0,0,1,0,1,0|1,0,0]=3 2103 B12R1.48 COc1ccc(cc1O)C(F)F Amb25828044 [0,0,1,0,1,0|2,0,0]=4 2104 B12R1.48 COc1ccc(cc1O)[C@@H](C)N Amb22747730 [0,0,1,0,1,0|0,0,0]=2 2105 B12R1.48 COc1ccc(cc1O)[C@H](C)O Amb24367881 [0,0,1,0,1,0|1,0,0]=3 2106 B12R1.48 COc1ccc(cc1S)C(C)C Amb25159926 [0,0,1,0,1,0|1,1,0]=4 2107 B12R1.48 CSc1ccc(cc1Br)C(C)N Amb18287832 [0,0,1,0,1,0|1,1,0]=4 2108 B12R1.48 CSc1ccc(cc1Br)[C@@H](C)N Amb25832049 [0,0,1,0,1,0|1,1,0]=4 2109 B12R1.48 CSc1ccc(cc1Br)[C@H](C)N Amb25851654 [0,0,1,0,1,0|1,1,0]=4 2110 B12R1.48 CSc1ccc(cc1Cl)C(C)N Amb18287831 [0,0,1,0,1,0|1,1,0]=4 2111 B12R1.48 CSc1ccc(cc1Cl)[C@H](C)N Amb24362946 [0,0,1,0,1,0|1,1,0]=4 2112 B12R1.48 CSc1ccc(cc1F)C(C)N Amb18951033 [0,0,1,0,1,0|1,1,0]=4 2113 B12R1.48 CSc1ccc(cc1F)[C@H](C)N Amb24462116 [0,0,1,0,1,0|1,1,0]=4 2114 B12R1.48 CSc1ccc(cc1O)C(C)C Amb24725228 [0,0,1,0,1,0|1,1,0]=4 2115 B12R1.48 C[C@@H](N)c1cc(O)c(CO)cc1 Amb24447520 [0,0,1,0,1,0|2,0,0]=4 2116 B12R1.48 Cc1cc(c[n]c1OC)C(C)N Amb23578500 [0,0,1,0,1,0|2,0,0]=4 2117 B12R1.48 Cc1cc(ccc1CC)C(C)N Amb25776879 [0,0,1,0,1,0|2,0,0]=4 2118 B12R1.48 Cc1cc(ccc1OC)C(C)N Amb22587421 [0,0,1,0,1,0|1,0,0]=3 2119 B12R1.48 Cc1cc(ccc1OC)[C@@H](C)O Amb24546350 [0,0,1,0,1,0|2,0,0]=4 2120 B12R1.48 Cc1cc(ccc1OC)[C@H](C)N Amb24382207 [0,0,1,0,1,0|1,0,0]=3 2121 B12R1.48 Cc1cc(ccc1OC)[C@H](C)O Amb25337353 [0,0,1,0,1,0|2,0,0]=4 2122 B12R1.56 CC(N)c1ccc(O)c(CO)c1 Amb25311129 [0,0,1,0,1,0|2,0,0]=4 2123 B12R1.56 CCc1cc(ccc1Cl)C(C)N Amb25858635 [0,0,1,0,1,0|2,0,0]=4 2124 B12R1.56 CCc1cc(ccc1F)C(C)N Amb24368751 [0,0,1,0,1,0|2,0,0]=4 2125 B12R1.56 CCc1cc(ccc1I)[C@H](C)N Amb25040579 [0,0,1,0,1,0|2,0,0]=4 2126 B12R1.56 CCc1cc(ccc1O)C(C)C Amb24406690 [0,0,1,0,1,0|2,0,0]=4 2127 B12R1.56 COc1cc(ccc1Br)C(C)C Amb18246171 [0,0,1,0,1,0|2,0,0]=4 2128 B12R1.56 COc1cc(ccc1Br)C(C)N Amb25159272 [0,0,1,0,1,0|1,0,0]=3 2129 B12R1.56 COc1cc(ccc1Br)[C@@H](C)N Amb24465354 [0,0,1,0,1,0|1,0,0]=3 2130 B12R1.56 COc1cc(ccc1Br)[C@H](C)N Amb25775240 [0,0,1,0,1,0|1,0,0]=3 2131 B12R1.56 COc1cc(ccc1Cl)[C@@H](C)N Amb24707764 [0,0,1,0,1,0|1,0,0]=3 2132 B12R1.56 COc1cc(ccc1Cl)[C@H](C)N Amb25374114 [0,0,1,0,1,0|1,0,0]=3 2133 B12R1.56 COc1cc(ccc1F)C(C)N Amb22059456 [0,0,1,0,1,0|1,0,0]=3 2134 B12R1.56 COc1cc(ccc1F)[C@@H](C)N Amb22298532 [0,0,1,0,1,0|1,0,0]=3 2135 B12R1.56 COc1cc(ccc1F)[C@@H](C)N Amb22744979 [0,0,1,0,1,0|1,0,0]=3 2136 B12R1.56 COc1cc(ccc1F)[C@@H](C)O Amb25694090 [0,0,1,0,1,0|2,0,0]=4 2137 B12R1.56 COc1cc(ccc1F)[C@@H](N)C Amb16233850 [0,0,1,0,1,0|1,0,0]=3 2138 B12R1.56 COc1cc(ccc1F)[C@H](C)N Amb22406332 [0,0,1,0,1,0|1,0,0]=3 2139 B12R1.56 COc1cc(ccc1I)C(C)N Amb25159463 [0,0,1,0,1,0|1,0,0]=3 2140 B12R1.56 COc1cc(ccc1I)C(C)O Amb24749879 [0,0,1,0,1,0|2,0,0]=4 2141 B12R1.56 COc1cc(ccc1I)[C@@H](C)N Amb24399365 [0,0,1,0,1,0|1,0,0]=3 2142 B12R1.56 COc1cc(ccc1I)[C@H](C)N Amb25293950 [0,0,1,0,1,0|1,0,0]=3 2143 B12R1.56 COc1cc(ccc1N)C(C)C Amb18563706 [0,0,1,0,1,0|2,0,0]=4 2144 B12R1.56 COc1cc(ccc1N)C(C)N Amb25815563 [0,0,1,0,1,0|1,0,0]=3 2145 B12R1.56 COc1cc(ccc1N)C(O)C Amb15695156 [0,0,1,0,1,0|2,0,0]=4 2146 B12R1.56 COc1cc(ccc1N)[C@@H](C)N Amb25727720 [0,0,1,0,1,0|1,0,0]=3 2147 B12R1.56 COc1cc(ccc1N)[C@H](C)N Amb25703562 [0,0,1,0,1,0|1,0,0]=3 2148 B12R1.56 COc1cc(ccc1O)C(=N)N Amb13883010 [0,0,1,0,1,0|1,0,1]=4 2149 B12R1.56 COc1cc(ccc1O)C(=O)N Amb17594165 [0,0,1,0,1,0|1,0,1]=4 2150 B12R1.56 COc1cc(ccc1O)C(=S)N Amb1121242 [0,0,1,0,1,0|1,0,1]=4 2151 B12R1.56 COc1cc(ccc1O)C(C)C Amb18893522 [0,0,1,0,1,0|1,0,0]=3 2152 B12R1.56 COc1cc(ccc1O)C(C)Cl Amb25798844 [0,0,1,0,1,0|1,0,0]=3 2153 B12R1.56 COc1cc(ccc1O)C(N)C Amb1114650 [0,0,1,0,1,0|0,0,0]=2 2154 B12R1.56 COc1cc(ccc1O)C(O)C Amb1110981 [0,0,1,0,1,0|1,0,0]=3 2155 B12R1.56 COc1cc(ccc1O)N(C)C Amb24648652 [0,0,1,0,1,0|2,0,0]=4 2156 B12R1.56 COc1cc(ccc1O)[C@@H](C)N Amb24076217 [0,0,1,0,1,0|0,0,0]=2 2157 B12R1.56 Cc1ccc([n]c1OC)C(C)N Amb25212148 [0,0,1,0,1,0|2,0,0]=4 2158 B12R1.56 Cc1ccc(cc1CC)C(C)N Amb25692211 [0,0,1,0,1,0|2,0,0]=4 2159 B12R1.56 Cc1ccc(cc1OC)C(C)C Amb20624327 [0,0,1,0,1,0|2,0,0]=4 2160 B12R1.56 Cc1ccc(cc1OC)[C@@H](C)N Amb24753254 [0,0,1,0,1,0|1,0,0]=3 2161 B12R1.113 CC(N)c1ccc(CCBr)cc1 Amb25222723 [0,0,1,0,1,0|2,0,0]=4 2162 B12R1.113 CC(N)c1ccc(CCF)cc1 Amb25179928 [0,0,1,0,1,0|2,0,0]=4 2163 B12R1.113 CC(N)c1ccc(CCN)cc1 Amb24627626 [0,0,1,0,1,0|2,0,0]=4 2164 B12R1.113 CCCc1ccc(cc1)C(N)C Amb1112458 [0,0,1,0,1,0|2,0,0]=4 2165 B12R1.113 CCOc1ccc(c[n]1)C(C)N Amb23446354 [0,0,1,0,1,0|2,0,0]=4 2166 B12R1.113 CCOc1ccc(cc1)C(C)C Amb24103768 [0,0,1,0,1,0|2,0,0]=4 2167 B12R1.113 CCOc1ccc(cc1)C(N)C Amb1108749 [0,0,1,0,1,0|1,0,0]=3 2168 B12R1.113 CCOc1ccc(cc1)C(O)C Amb1111434 [0,0,1,0,1,0|2,0,0]=4 2169 B12R1.113 CCOc1ccc(cc1)[C@@H](C)N Amb22288633 [0,0,1,0,1,0|1,0,0]=3 2170 B12R1.113 CCOc1ccc(cc1)[C@H](C)N Amb22288690 [0,0,1,0,1,0|1,0,0]=3 2171 B12R1.113 CCSc1ccc(cc1)[C@@H](C)N Amb25344087 [0,0,1,0,1,0|1,1,0]=4 2172 B12R1.113 CCSc1ccc(cc1)[C@H](C)N Amb24457386 [0,0,1,0,1,0|1,1,0]=4 2173 B12R1.113 C[C@@H](N)c1ccc(CCCl)cc1 Amb25076716 [0,0,1,0,1,0|2,0,0]=4 2174 B12R1.113 C[C@@H](N)c1ccc(CCO)cc1 Amb25714674 [0,0,1,0,1,0|1,0,0]=3 2175 B12R1.113 OCCc1ccc(cc1)C(C)C Amb17089518 [0,0,1,0,1,0|2,0,0]=4 2176 B12R1.279 CC(C)c1cc(ccc1)OCCl Amb24759991 [0,0,1,0,1,0|2,0,0]=4 2177 B12R1.279 CC(C)c1cccc(CCO)c1 Amb24359885 [0,0,1,0,1,0|2,0,0]=4 2178 B12R1.279 CCOc1cc(ccc1)C(C)Cl Amb25157837 [0,0,1,0,1,0|2,0,0]=4 2179 B12R1.279 CCOc1cc(ccc1)[C@@H](C)N Amb22504248 [0,0,1,0,1,0|1,0,0]=3 2180 B12R1.279 CCOc1cc(ccc1)[C@H](C)N Amb22298568 [0,0,1,0,1,0|1,0,0]=3 2181 B12R1.279 CCOc1cc(ccc1)[C@H](C)O Amb25221134 [0,0,1,0,1,0|2,0,0]=4 2182 B12R1.279 CCOc1cccc(c1)C(N)C Amb1128280 [0,0,1,0,1,0|1,0,0]=3 2183 B12R1.279 CCOc1cccc(c1)[C@H](N)C Amb16233962 [0,0,1,0,1,0|1,0,0]=3 2184 B12R2.39 NCCc1cc2OCC[n]2c1 Amb25204269 [1,0,0,0,1,0|2,0,0]=4 2185 B12R2.39 NCCc1cc2OCOc2[s]1 Amb25722048 [1,0,0,0,1,0|1,0,0]=3 2186 B12R2.144 NCCc1[s]cc2OCCc21 Amb18199069 [1,0,0,0,1,0|2,0,0]=4 2187 B12R2.144 NCCc1cc[n]2CCOc21 Amb18201361 [1,0,0,0,1,0|2,0,0]=4 2188 B12R2.144 NCCc1ccc2OCC[n]21 Amb18201362 [1,0,0,0,1,0|2,0,0]=4 2189 B14R1.3653 CC(C)=CCc1ccc(OC)c(O)c1 Amb24553662 [0,0,1,0,0,1|1,0,1]=4 2190 B14R1.3653 COc1ccc(CCC(C)N)cc1Cl Amb18866490 [0,0,1,0,0,1|1,0,0]=3 2191 B14R1.3653 COc1ccc(CCN(C)C)cc1O Amb24070945 [0,0,1,0,0,1|2,0,0]=4 2192 B14R1.3653 COc1ccc(CCN(C)N)cc1Cl Amb18569776 [0,0,1,0,0,1|2,0,0]=4 2193 B14R1.3653 COc1ccc(CCN(C)N)cc1F Amb18566035 [0,0,1,0,0,1|2,0,0]=4 2194 B14R1.3653 COc1ccc(CNC(C)C)cc1O Amb20673459 [0,0,1,0,0,1|1,0,0]=3 2195 B14R1.3653 COc1ccc(cc1Br)\C=C\C(C)N Amb24409194 [0,0,1,0,0,1|1,0,1]=4 2196 B14R1.3653 COc1ccc(cc1Cl)C#CC(C)N Amb25038155 [0,0,1,0,0,1|1,0,1]=4 2197 B14R1.3653 COc1ccc(cc1Cl)CNC(C)C Amb17404311 [0,0,1,0,0,1|2,0,0]=4 2198 B14R1.3653 COc1ccc(cc1Cl)NCC(O)C Amb17140948 [0,0,1,0,0,1|2,0,0]=4 2199 B14R1.3653 COc1ccc(cc1Cl)NC[C@H](C)O Amb25061103 [0,0,1,0,0,1|2,0,0]=4 2200 B14R1.3653 COc1ccc(cc1Cl)SCC(C)N Amb18070619 [0,0,1,0,0,1|1,0,0]=3 2201 B14R1.3653 COc1ccc(cc1F)C#CC(C)N Amb25761640 [0,0,1,0,0,1|1,0,1]=4 2202 B14R1.3653 COc1ccc(cc1F)NCC(C)O Amb19005284 [0,0,1,0,0,1|2,0,0]=4 2203 B14R1.3653 COc1ccc(cc1F)NC[C@@H](C)O Amb25340320 [0,0,1,0,0,1|2,0,0]=4 2204 B14R1.3653 COc1ccc(cc1F)\C=C\C(C)N Amb24507176 [0,0,1,0,0,1|1,0,1]=4 2205 B14R1.3653 COc1ccc(cc1N)SCC(C)C Amb23537947 [0,0,1,0,0,1|2,0,0]=4 2206 B14R1.3653 COc1ccc(cc1O)CCC(=O)N Amb17143150 [0,0,1,0,0,1|1,0,1]=4 2207 B14R1.3653 COc1ccc(cc1O)\C=C\C(C)O Amb25765256 [0,0,1,0,0,1|1,0,1]=4 2208 B14R1.3653 Cc1cc(CCN(C)N)ccc1OC Amb18565560 [0,0,1,0,0,1|2,0,0]=4 2209 B14R1.3653 Cc1cc(\C=C\C(C)N)ccc1OC Amb25348176 [0,0,1,0,0,1|1,0,1]=4 2210 B14R1.3653 Cc1cc(ccc1OC)C#CC(C)N Amb25700648 [0,0,1,0,0,1|1,0,1]=4 2211 B14R1.3653 Cc1cc(ccc1OC)NCC(C)C Amb19051250 [0,0,1,0,0,1|2,0,0]=4 2212 B14R1.3653 Cc1cc(ccc1OC)NCC(C)O Amb19017555 [0,0,1,0,0,1|2,0,0]=4 2213 B14R1.3653 Cc1cc(ccc1OC)NC[C@@H](C)O Amb24337562 [0,0,1,0,0,1|2,0,0]=4 2214 B14R1.3653 Cc1cc(ccc1OC)SCC(C)N Amb18569352 [0,0,1,0,0,1|1,0,0]=3 2215 B14R1.42 CC(=O)NCc1cc(OC)c(O)cc1 Amb25725250 [0,0,1,0,0,1|1,0,1]=4 2216 B14R1.42 CC(C)=CCc1cc(OC)c(O)cc1 Amb25334990 [0,0,1,0,0,1|1,0,1]=4 2217 B14R1.42 CC(N)CCc1ccc(O)c(c1)C#N Amb25354762 [0,0,1,0,0,1|2,0,0]=4 2218 B14R1.42 COc1cc(CCC(O)C)ccc1O Amb16185809 [0,0,1,0,0,1|1,0,0]=3 2219 B14R1.42 COc1cc(CNC(C)C)ccc1O Amb19890415 [0,0,1,0,0,1|1,0,0]=3 2220 B14R1.42 COc1cc(CNC(N)=N)ccc1O Amb24468635 [0,0,1,0,0,1|1,0,1]=4 2221 B14R1.42 COc1cc(CNC(N)=S)ccc1O Amb25289215 [0,0,1,0,0,1|1,0,1]=4 2222 B14R1.42 COc1cc(\C=C\C(C)O)ccc1O Amb23449918 [0,0,1,0,0,1|1,0,1]=4 2223 B14R1.42 COc1cc(\C=N\C(C)C)ccc1O Amb25179499 [0,0,1,0,0,1|1,0,1]=4 2224 B14R1.42 COc1cc(ccc1Br)NC[C@H](C)O Amb24693639 [0,0,1,0,0,1|2,0,0]=4 2225 B14R1.42 COc1cc(ccc1Cl)NCC(C)O Amb24357771 [0,0,1,0,0,1|2,0,0]=4 2226 B14R1.42 COc1cc(ccc1Cl)NC[C@@H](C)O Amb25282139 [0,0,1,0,0,1|2,0,0]=4 2227 B14R1.42 COc1cc(ccc1F)NCC(C)O Amb25088253 [0,0,1,0,0,1|2,0,0]=4 2228 B14R1.42 COc1cc(ccc1F)NC[C@@H](C)O Amb25748803 [0,0,1,0,0,1|2,0,0]=4 2229 B14R1.42 COc1cc(ccc1F)\C=C\C(C)N Amb25707311 [0,0,1,0,0,1|1,0,1]=4 2230 B14R1.42 COc1cc(ccc1N)NCC(C)C Amb24462422 [0,0,1,0,0,1|2,0,0]=4 2231 B14R1.42 COc1cc(ccc1N)NC[C@H](C)O Amb25108544 [0,0,1,0,0,1|2,0,0]=4 2232 B14R1.42 COc1cc(ccc1O)\C=C\C(C)C Amb25318945 [0,0,1,0,0,1|1,0,1]=4 2233 B14R1.42 COc1cc(ccc1O)\C=C\C(C)N Amb24507174 [0,0,1,0,0,1|0,0,1]=3 2234 B14R1.142 CC(C)COc1ccc(CCO)cc1 Amb18863919 [0,0,1,0,0,1|2,0,0]=4 2235 B14R1.142 CCOc1ccc(cc1)CCC(N)C Amb1141409 [0,0,1,0,0,1|1,0,0]=3 2236 B14R1.142 CCOc1ccc(cc1)CNC(C)C Amb2118536 [0,0,1,0,0,1|2,0,0]=4 2237 B14R1.142 CCOc1ccc(cc1)OCC(N)C Amb1139703 [0,0,1,0,0,1|1,0,0]=3 2238 B14R2.112 BrCCc1cc2CCCOc2cc1 Amb18228832 [1,0,0,0,0,1|2,0,0]=4 2239 B14R2.112 BrCCc1cc2OCCOc2cc1 Amb25827311 [1,0,0,0,0,1|1,0,0]=3 2240 B14R2.112 CCCc1cc2CCNCc2cc1 Amb18065153 [1,0,0,0,0,1|2,0,0]=4 2241 B14R2.112 CCCc1ccc2CCCNc2c1 Amb18636447 [1,0,0,0,0,1|2,0,0]=4 2242 B14R2.112 CCCc1ccc2c(c1)CCCN2 Amb1137265 [1,0,0,0,0,1|2,0,0]=4 2243 B14R2.112 CCCc1ccc2c(c1)NCCO2 Amb17570253 [1,0,0,0,0,1|1,0,0]=3 2244 B14R2.112 CCNc1cc2CCCOc2cc1 Amb18243697 [1,0,0,0,0,1|2,0,0]=4 2245 B14R2.112 CCNc1ccc2c(c1)NCCO2 Amb17211348 [1,0,0,0,0,1|2,0,0]=4 2246 B14R2.112 CCNc1ccc2c(c1)OCCN2 Amb17211341 [1,0,0,0,0,1|2,0,0]=4 2247 B14R2.112 CCOc1cc2OCCOc2cc1 Amb25818420 [1,0,0,0,0,1|1,0,0]=3 2248 B14R2.112 CCOc1ccc2OCC=Cc2c1 Amb23441462 [1,0,0,0,0,1|2,0,0]=4 2249 B14R2.112 CCOc1ccc2OCCCc2c1 Amb24465511 [1,0,0,0,0,1|2,0,0]=4 2250 B14R2.112 CCSc1cc2OCCOc2cc1 Amb24335121 [1,0,0,0,0,1|1,0,0]=3 2251 B14R2.112 CNCc1cc2CCOCc2cc1 Amb24461139 [1,0,0,0,0,1|2,0,0]=4 2252 B14R2.112 CNCc1cc2OCCOc2c[n]1 Amb23455869 [1,0,0,0,0,1|2,0,0]=4 2253 B14R2.112 CNCc1ccc2c(c1)NCCO2 Amb17570298 [1,0,0,0,0,1|2,0,0]=4 2254 B14R2.112 CNCc1ccc2c(c1)OCCO2 Amb2009792 [1,0,0,0,0,1|1,0,0]=3 2255 B14R2.112 CSCc1ccc2OCCOc2c1 Amb25818140 [1,0,0,0,0,1|1,0,0]=3 2256 B14R2.112 ClCCc1cc2CCCOc2cc1 Amb18864099 [1,0,0,0,0,1|2,0,0]=4 2257 B14R2.112 ClCCc1cc2OCCOc2cc1 Amb18322116 [1,0,0,0,0,1|1,0,0]=3 2258 B14R2.112 ClCSc1cc2OCCOc2cc1 Amb24409831 [1,0,0,0,0,1|2,0,0]=4 2259 B14R2.112 NCCc1cc2CCCNc2cc1 Amb22546271 [1,0,0,0,0,1|2,0,0]=4 2260 B14R2.112 NCCc1cc2CCCSc2cc1 Amb18190110 [1,0,0,0,0,1|1,1,0]=4 2261 B14R2.112 NCCc1cc2CCOCc2cc1 Amb18195925 [1,0,0,0,0,1|1,0,0]=3 2262 B14R2.112 NCCc1cc2CNCCc2cc1 Amb24746646 [1,0,0,0,0,1|2,0,0]=4 2263 B14R2.112 NCCc1cc2COCCc2cc1 Amb18195924 [1,0,0,0,0,1|1,0,0]=3 2264 B14R2.112 NCCc1cc2COCOc2cc1 Amb18194708 [1,0,0,0,0,1|0,0,0]=2 2265 B14R2.112 NCCc1cc2OCCNc2cc1 Amb25682433 [1,0,0,0,0,1|1,0,0]=3 2266 B14R2.112 NCCc1ccc2CCCNc2c1 Amb18053854 [1,0,0,0,0,1|2,0,0]=4 2267 B14R2.112 NCCc1ccc2CCCSc2c1 Amb18190112 [1,0,0,0,0,1|1,1,0]=4 2268 B14R2.112 NCCc1ccc2COCOc2c1 Amb18194705 [1,0,0,0,0,1|0,0,0]=2 2269 B14R2.112 NCCc1ccc2c(c1)CCCC2 Amb17199800 [1,0,0,0,0,1|2,0,0]=4 2270 B14R2.112 NCCc1ccc2c(c1)CCCN2 Amb17199838 [1,0,0,0,0,1|2,0,0]=4 2271 B14R2.112 NCCc1ccc2c(c1)CCCO2 Amb17578295 [1,0,0,0,0,1|1,0,0]=3 2272 B14R2.112 NCCc1ccc2c(c1)NCCO2 Amb17199883 [1,0,0,0,0,1|1,0,0]=3 2273 B14R2.112 NCCc1ccc2c(c1)OCCO2 Amb1105676 [1,0,0,0,0,1|0,0,0]=2 2274 B14R2.112 NOCc1ccc2OCCCc2c1 Amb25705191 [1,0,0,0,0,1|2,0,0]=4 2275 B14R2.112 N\N=C\c1cc2OCCOc2cc1 Amb24618589 [1,0,0,0,0,1|1,0,1]=4 2276 B14R2.112 O=CCc1ccc2c(c1)OCCO2 Amb17089537 [1,0,0,0,0,1|1,0,1]=4 2277 B14R2.112 OCCc1cc2CCCOc2cc1 Amb18224605 [1,0,0,0,0,1|2,0,0]=4 2278 B14R2.112 OCCc1ccc2c(c1)OCCO2 Amb17089521 [1,0,0,0,0,1|1,0,0]=3 2279 B14R2.112 SCCc1ccc2c(c1)OCCO2 Amb17402133 [1,0,0,0,0,1|1,0,0]=3 2280 B14R2.781 CC(=C)c1cc2OCCOc2cc1 Amb25734334 [0,0,0,0,1,1|1,0,1]=4 2281 B14R2.781 CC(=O)c1cc2COCOc2cc1 Amb18195573 [0,0,0,0,1,1|1,0,1]=4 2282 B14R2.781 CC(=O)c1ccc2c(c1)OCCO2 Amb1039808 [0,0,0,0,1,1|1,0,1]=4 2283 B14R2.781 CC(Br)c1cc2CCCOc2cc1 Amb25667824 [0,0,0,0,1,1|2,0,0]=4 2284 B14R2.781 CC(C)c1cc2CCCOc2cc1 Amb24367750 [0,0,0,0,1,1|2,0,0]=4 2285 B14R2.781 CC(C)c1cc2COCCc2cc1 Amb24729702 [0,0,0,0,1,1|2,0,0]=4 2286 B14R2.781 CC(C)c1ccc2CCCOc2c1 Amb25797619 [0,0,0,0,1,1|2,0,0]=4 2287 B14R2.781 CC(Cl)c1cc2CCCOc2cc1 Amb18321599 [0,0,0,0,1,1|2,0,0]=4 2288 B14R2.781 CC(F)c1cc2NCCOc2cc1 Amb24554795 [0,0,0,0,1,1|2,0,0]=4 2289 B14R2.781 CC(N)c1c[n]c2OCCOc2c1 Amb24718583 [0,0,0,0,1,1|1,0,0]=3 2290 B14R2.781 CC(N)c1cc2CCNCc2cc1 Amb25258414 [0,0,0,0,1,1|2,0,0]=4 2291 B14R2.781 CC(N)c1ccc2CCCNc2c1 Amb18053925 [0,0,0,0,1,1|2,0,0]=4 2292 B14R2.781 CC(N)c1ccc2NCCOc2[n]1 Amb25719717 [0,0,0,0,1,1|2,0,0]=4 2293 B14R2.781 CC(O)c1cc2CCCOc2cc1 Amb18796016 [0,0,0,0,1,1|2,0,0]=4 2294 B14R2.781 CC(O)c1cc2NCCOc2cc1 Amb18113036 [0,0,0,0,1,1|2,0,0]=4 2295 B14R2.781 CC(c1ccc2c(c1)NCCO2)C Amb17063610 [0,0,0,0,1,1|2,0,0]=4 2296 B14R2.781 CC(c1ccc2c(c1)OCCO2)N Amb1111522 [0,0,0,0,1,1|0,0,0]=2 2297 B14R2.781 CC(c1ccc2c(c1)OCCO2)O Amb1792317 [0,0,0,0,1,1|1,0,0]=3 2298 B14R2.781 CS(=O)c1cc2OCCOc2cc1 Amb25297287 [0,0,0,0,1,1|2,0,0]=4 2299 B14R2.781 C[C@@H](N)c1ccc2CCCOc2c1 Amb24526760 [0,0,0,0,1,1|1,0,0]=3 2300 B14R2.781 C[C@H](N)c1ccc2CCCOc2c1 Amb25667731 [0,0,0,0,1,1|1,0,0]=3 2301 B14R2.781 C[C@H](O)c1cc2CCCOc2cc1 Amb25045919 [0,0,0,0,1,1|2,0,0]=4 2302 B14R2.781 C[C@H](c1ccc2c(c1)NCCO2)N Amb17612899 [0,0,0,0,1,1|1,0,0]=3 2303 B14R2.781 C[C@H](c1ccc2c(c1)OCCO2)N Amb10610231 [0,0,0,0,1,1|0,0,0]=2 2304 B14R2.781 FC(F)c1cc2OCCOc2cc1 Amb22584198 [0,0,0,0,1,1|2,0,0]=4 2305 B14R2.781 NC(=O)c1cc2OCCOc2cc1 Amb21962596 [0,0,0,0,1,1|1,0,1]=4 2306 B16R2.477 CC(Br)CCc1ccc2OCCOc2c1 Amb25171281 [0,0,0,0,0,2|1,0,0]=3 2307 B16R2.477 CC(CNc1ccc2c(c1)OCCO2)O Amb17140399 [0,0,0,0,0,2|1,0,0]=3 2308 B16R2.477 CC(Cl)CCc1ccc2OCCOc2c1 Amb25171298 [0,0,0,0,0,2|1,0,0]=3 2309 B16R2.477 CC(N)CCc1cc2CCCOc2cc1 Amb18865269 [0,0,0,0,0,2|1,0,0]=3 2310 B16R2.477 CC(N)CSc1cc2CCCCc2cc1 Amb18067837 [0,0,0,0,0,2|2,0,0]=4 2311 B16R2.477 CC(N)CSc1cc2OCCOc2cc1 Amb18571308 [0,0,0,0,0,2|0,0,0]=2 2312 B16R2.477 C[C@@H](N)COc1cc2CCCCc2cc1 Amb18538595 [0,0,0,0,0,2|2,0,0]=4 2313 B16R2.477 NC(=N)CCc1ccc2OCCOc2c1 Amb18567716 [0,0,0,0,0,2|1,0,1]=4 2314 B16R2.477 NC(=O)CCc1ccc2c(c1)OCCO2 Amb17143370 [0,0,0,0,0,2|1,0,1]=4 2315 B16R2.477 NC(=O)CSc1ccc2c(c1)OCCO2 Amb21539 [0,0,0,0,0,2|1,0,1]=4 2316 B16R2.180342 CC(=O)Cc1ccc2OCCCOc2c1 Amb18895486 [0,0,0,0,0,2|1,0,1]=4 2317 B16R2.180342 CC(Br)Cc1ccc2OCCCOc2c1 Amb18548922 [0,0,0,0,0,2|1,0,0]=3 2318 B16R2.180342 CC(Cc1ccc2c(c1)NCCCO2)C Amb17571090 [0,0,0,0,0,2|2,0,0]=4 2319 B16R2.180342 CC(Cl)Cc1ccc2OCCCOc2c1 Amb18049964 [0,0,0,0,0,2|1,0,0]=3 2320 B16R2.180342 NC(=O)Cc1ccc2c(c1)OCCCO2 Amb1098061 [0,0,0,0,0,2|1,0,1]=4 2321 B16R2.27160 CC(=C)CNCc1ccc2c(c1)OCO2 Amb17308899 [0,0,0,0,0,2|1,0,1]=4 2322 B16R2.27160 CC(=O)CCCc1ccc2c(c1)OCO2 Amb17238792 [0,0,0,0,0,2|1,0,1]=4 2323 B16R2.27160 CC(C)CNCc1ccc2OCOc2c1 Amb19890318 [0,0,0,0,0,2|1,0,0]=3 2324 B16R2.27160 CC(CCCc1ccc2c(c1)OCO2)N Amb17239262 [0,0,0,0,0,2|0,0,0]=2 2325 B16R2.27160 CC(CCOc1ccc2c(c1)OCO2)O Amb17140496 [0,0,0,0,0,2|1,0,0]=3 2326 B16R2.27160 CC(NCCc1ccc2c(c1)OCO2)C Amb10817554 [0,0,0,0,0,2|1,0,0]=3 2327 B16R2.27160 NC(=N)NCCc1ccc2OCOc2c1 Amb18567874 [0,0,0,0,0,2|1,0,1]=4 2328 B16R2.27160 NC(=N)NNCc1ccc2OCOc2c1 Amb18568318 [0,0,0,0,0,2|1,0,1]=4 2329 B16R2.27160 NC(=O)CCCc1ccc2c(c1)OCO2 Amb17239205 [0,0,0,0,0,2|1,0,1]=4 2330 B16R2.27160 NC(=O)CSCc1ccc2c(c1)OCO2 Amb174074 [0,0,0,0,0,2|1,0,1]=4