0 B13R2.64 C1=CC=C(CC2=NC=CN2)C=C1 F19846 [0,0,0,0,0,0|0,0,0]=0 1 B13R2.64 C1=CC=C(C[C@H]2CCCN2)C=C1 83644 [0,0,0,0,0,0|1,0,3]=4 2 B14R2.19 BrC1=CN=C(NC2=CC=CC=C2)S1 O11390 [0,1,0,0,0,0|2,0,0]=3 3 B14R2.19 CC1=NN(CC2=CC=CC=C2)C=C1 P19566 [0,1,0,0,0,0|2,0,0]=3 4 B14R2.19 NC1=NN(CC2=CC=CC=C2)N=N1 W18857 [0,1,0,0,0,0|2,0,1]=4 5 B14R2.19 NC1=NNC(CC2=CC=CC=C2)=C1 FD13118 [0,1,0,0,0,0|2,0,0]=3 6 B14R2.19 O=C1NN=C(CC2=CC=CC=C2)N1 A11883 [0,1,0,0,0,0|1,0,0]=2 7 B14R2.19 O=C1N[C@@H](CC2=CC=CC=C2)CS1 56487 [0,1,0,0,0,0|2,0,1]=4 8 B14R2.19 O=C1N[C@@H](CC2=CC=CC=C2)CS1 56489 [0,1,0,0,0,0|2,0,1]=4 9 B14R2.19 OC1=CN(CC2=CC=CC=C2)N=C1 W15950 [0,1,0,0,0,0|2,0,0]=3 10 B14R2.72 FC1=CC=C(CC2=CC=CS2)C=C1 P10147 [0,1,0,0,0,0|2,0,0]=3 11 B14R2.114 O=C(C1=CC=CC=C1)C2=CC=CN2 20570 [0,1,0,0,0,0|1,0,1]=3 12 B14R2.114 O=C(C1=CC=CC=C1)C2=NNC=C2 D97175 [0,1,0,0,0,0|2,0,1]=4 13 B14R2.114 O=C(C1=NC=CC=C1)C2=NC=CS2 CS2523 [0,1,0,0,0,0|2,0,1]=4 14 B14R2.114 O[C@H](C1=CN=CC=C1)C2=CC=CS2 AR2804 [0,1,0,0,0,0|3,0,0]=4 15 B14R2.716 NC1=CC=CC(CN2C=CC=N2)=C1 AC7142 [0,1,0,0,0,0|2,0,0]=3 16 B12R2.2 C1=CC(C2=CNC=N2)=CC=N1 F15633 [0,0,0,0,1,0|3,0,0]=4 17 B12R2.2 C1=CC(C2=NC=CN2)=CC=N1 62606 [0,0,0,0,1,0|1,0,0]=2 18 B12R2.2 C1=CC(C2=NC=CO2)=CC=N1 W11913 [0,0,0,0,1,0|2,0,0]=3 19 B12R2.2 C1=CC=C(C2=CC=CN2)C=C1 65018 [0,0,0,0,1,0|1,0,0]=2 20 B12R2.2 C1=CC=C(C2=CC=CO2)C=C1 77950 [0,0,0,0,1,0|2,0,0]=3 21 B12R2.2 C1=CC=C(C2=CC=NO2)C=C1 T71521 [0,0,0,0,1,0|3,0,0]=4 22 B12R2.2 C1=CC=C(C2=CN=CS2)C=C1 O11489 [0,0,0,0,1,0|3,0,0]=4 23 B12R2.2 C1=CC=C(C2=COC=N2)C=C1 50592 [0,0,0,0,1,0|2,0,0]=3 24 B12R2.2 C1=CC=C(C2=CSC=N2)C=C1 F30143 [0,0,0,0,1,0|2,0,0]=3 25 B12R2.2 C1=CC=C(C2=NC=CO2)C=C1 36029 [0,0,0,0,1,0|1,0,0]=2 26 B12R2.2 C1=CN=C(C2=CN=CN2)C=C1 W17706 [0,0,0,0,1,0|3,0,0]=4 27 B12R2.2 C1=CN=C(C2=NC=CN2)C=N1 62612 [0,0,0,0,1,0|2,0,0]=3 28 B12R2.2 C1=CN=C(C2=NC=CN2)N=C1 62614 [0,0,0,0,1,0|2,0,0]=3 29 B12R2.2 C1=CN=C(C2=NCCN2)C=C1 O10472 [0,0,0,0,1,0|1,0,2]=4 30 B12R2.2 C1=CN=C(C2=NN=NN2)C=C1 50914 [0,0,0,0,1,0|3,0,0]=4 31 B12R2.2 C1=CN=CC(C2=CNC=N2)=C1 C15905 [0,0,0,0,1,0|3,0,0]=4 32 B12R2.2 C1=CN=CC(C2=NN=CN2)=C1 AT12505 [0,0,0,0,1,0|2,0,0]=3 33 B12R2.2 C1=CSC(C2=CN=CC=C2)=C1 FD10525 [0,0,0,0,1,0|3,0,0]=4 34 B12R2.98 C1=CNC(CC2=CC=CN2)=C1 F11327 [0,0,0,0,1,0|2,0,0]=3 35 B12R2.98 C1=COC(CC2=CC=CO2)=C1 A11712 [0,0,0,0,1,0|3,0,0]=4 36 B14R2.6 C1=CC=C(NC2=CC=CC=C2)C=C1 T70381 [0,0,0,0,0,1|3,0,0]=4 37 B14R2.6 C1=CC=C(NC2=CC=CN=C2)C=C1 A11249 [0,0,0,0,0,1|2,0,0]=3 38 B14R2.6 C1=CC=C(NC2=CC=NC=C2)C=C1 T70602 [0,0,0,0,0,1|3,0,0]=4 39 B14R2.6 C1=CC=C(OC2=CN=CC=C2)C=C1 BL000092 [0,0,0,0,0,1|2,0,0]=3 40 B14R2.6 C1=CC=C(OC2=NC=CC=C2)C=C1 W13856 [0,0,0,0,0,1|2,0,0]=3 41 B14R2.6 C1=CC=C(PC2=CC=CC=C2)C=C1 F14999 [0,0,0,0,0,1|3,0,0]=4 42 B14R2.6 C1=CC=C([I+]C2=CC=CC=C2)C=C1 S11853 [0,0,0,0,0,1|3,0,0]=4 43 B14R2.6 C1=CC=C([SnH4+2]C2=CC=CC=C2)C=C1 T70532 [0,0,0,0,0,1|3,0,0]=4 44 B14R2.6 C1=CN=C(CC2=NC=CC=C2)C=C1 D82134 [0,0,0,0,0,1|2,0,0]=3 45 B14R2.6 C1=CN=CC(CC2=CN=CC=C2)=C1 W13166 [0,0,0,0,0,1|2,0,0]=3 46 B14R2.101 C1=CC=C(COC2CC=CC2)C=C1 83541 [0,0,0,0,0,1|2,0,1]=4 47 B11R1.40 C=C[C@@H](N)CC1=CC=CC=C1 Y10008 [1,0,1,0,0,0|0,0,1]=3 48 B11R1.40 N\C(CC1=CC=CC=C1)=N/O W18702 [1,0,1,0,0,0|1,0,0]=3 49 B13R1.337 O=C(O)\C=N\OCC1=CC=CC=C1 C10829 [0,1,1,0,0,0|2,0,0]=4 50 B13R2.10 BrC1=CC=C(C2=CN=CC=C2)N1 W16142 [0,1,0,0,1,0|2,0,0]=4 51 B13R2.10 BrC1=CNC(C2=CC=NC=C2)=N1 A11649 [0,1,0,0,1,0|1,0,0]=3 52 B13R2.10 BrC1=COC(C2=CC=CC=C2)=N1 70771 [0,1,0,0,1,0|1,0,0]=3 53 B13R2.10 BrC1=CSC(C2=CC=CC=C2)=N1 95210 [0,1,0,0,1,0|1,0,0]=3 54 B13R2.10 BrC1=NC(C2=CC=CC=C2)=NO1 27773 [0,1,0,0,1,0|1,0,1]=4 55 B13R2.10 CC1=NC(C2=CC=CC=C2)=CN1 F14663 [0,1,0,0,1,0|2,0,0]=4 56 B13R2.10 ClC1=CC(C2=CC=CC=C2)=NO1 C74725 [0,1,0,0,1,0|2,0,0]=4 57 B13R2.10 ClC1=NN=C(C2=CC=CC=C2)O1 C72824 [0,1,0,0,1,0|2,0,0]=4 58 B13R2.10 IC1=CN(C2=CC=CC=C2)N=C1 65357 [0,1,0,0,1,0|2,0,0]=4 59 B13R2.10 NC1=CC(C2=CC=CC=C2)=NS1 C72650 [0,1,0,0,1,0|2,0,0]=4 60 B13R2.10 NC1=CN(C2=CC=CC=C2)N=C1 F18640 [0,1,0,0,1,0|2,0,0]=4 61 B13R2.10 NC1=NC(C2=CC=CC=C2)=CO1 78069 [0,1,0,0,1,0|2,0,0]=4 62 B13R2.10 NC1=NC=C(C2=CC=CC=C2)N1 FD10515 [0,1,0,0,1,0|2,0,0]=4 63 B13R2.10 NC1=NN=C(C2=CC=CC=C2)N1 76322 [0,1,0,0,1,0|1,0,0]=3 64 B13R2.10 O=C1C=CN(C2=CC=CC=C2)N1 F17289 [0,1,0,0,1,0|2,0,0]=4 65 B13R2.10 OC1=NC(C2=CC=CC=C2)=NO1 25676 [0,1,0,0,1,0|1,0,1]=4 66 B13R2.10 OC1=NNC(C2=CC=CC=C2)=C1 W17162 [0,1,0,0,1,0|2,0,0]=4 67 B13R2.12 BrC1=CC=C(C2=CC=CS2)C=C1 F50647 [0,1,0,0,1,0|2,0,0]=4 68 B13R2.12 BrC1=CC=C(C2=NC=CO2)C=C1 81722 [0,1,0,0,1,0|1,0,0]=3 69 B13R2.12 BrC1=CC=C(N2N=CC=N2)C=C1 W10417 [0,1,0,0,1,0|1,0,1]=4 70 B13R2.12 ClC1=CC=C(C2=CC=CO2)C=C1 W12454 [0,1,0,0,1,0|2,0,0]=4 71 B13R2.12 FC1=CC=C(C2=CN=CN2)C=C1 P16444 [0,1,0,0,1,0|2,0,0]=4 72 B13R2.12 FC1=CC=C(C2=NC=CN2)C=C1 F14637 [0,1,0,0,1,0|0,0,0]=2 73 B13R2.12 FC1=CC=C(C2=NOC=C2)C=C1 D71983 [0,1,0,0,1,0|2,0,0]=4 74 B13R2.12 NC1=CC=C(C2=CNC=N2)C=C1 Y11321 [0,1,0,0,1,0|2,0,0]=4 75 B13R2.12 NC1=CC=C(C2=NC=CN2)C=C1 F17740 [0,1,0,0,1,0|0,0,0]=2 76 B13R2.12 NC1=CC=C(C2=NCCN2)C=C1 C75851 [0,1,0,0,1,0|0,0,2]=4 77 B13R2.12 NC1=CC=C(C2=NOC=N2)C=C1 AB22802 [0,1,0,0,1,0|1,0,1]=4 78 B13R2.12 NC1=CC=C(N2N=CC=N2)C=C1 83243 [0,1,0,0,1,0|1,0,1]=4 79 B13R2.12 OC1=CC=C(C2=NC=CS2)C=C1 67125 [0,1,0,0,1,0|1,0,0]=3 80 B13R2.13 BrC1=CC(C2=CN=CN2)=CC=C1 C75523 [0,1,0,0,1,0|2,0,0]=4 81 B13R2.13 BrC1=CC(C2=NC=CN2)=CC=C1 27911 [0,1,0,0,1,0|0,0,0]=2 82 B13R2.13 BrC1=CN=CC(C2=NC=CO2)=C1 A11643 [0,1,0,0,1,0|2,0,0]=4 83 B13R2.13 CC1=CC=CC(C2=CC=CN2)=C1 AC6717 [0,1,0,0,1,0|1,0,0]=3 84 B13R2.13 CC1=CC=CC(C2=NN=NN2)=C1 F21317 [0,1,0,0,1,0|2,0,0]=4 85 B13R2.13 CC1=CC=CC(C2=NNC=C2)=C1 F30187 [0,1,0,0,1,0|2,0,0]=4 86 B13R2.13 CC1=CC=CC(N2C=CC=N2)=C1 67030 [0,1,0,0,1,0|2,0,0]=4 87 B13R2.13 ClC1=NC=CC(C2=NC=CN2)=C1 31046 [0,1,0,0,1,0|1,0,0]=3 88 B13R2.13 FC1=CC=CC(C2=CC=CS2)=C1 C12736 [0,1,0,0,1,0|2,0,0]=4 89 B13R2.13 NC1=CC=CC(C2=NC=CN2)=C1 AC3537 [0,1,0,0,1,0|0,0,0]=2 90 B13R2.13 NC1=CC=CC(C2=NNC=C2)=C1 77954 [0,1,0,0,1,0|2,0,0]=4 91 B13R2.15 BrC1=C(C2=CC=CC=C2)N=CO1 AT18676 [0,1,0,0,1,0|2,0,0]=4 92 B13R2.15 CC1=CC=NN1C2=CC=CC=C2 F20811 [0,1,0,0,1,0|2,0,0]=4 93 B13R2.15 CN1C=NN=C1C2=CC=NC=C2 D72035 [0,1,0,0,1,0|2,0,0]=4 94 B13R2.15 IC1=CC=NN1C2=CC=CC=C2 S10280 [0,1,0,0,1,0|2,0,0]=4 95 B13R2.15 NC1=C(C2=CC=CC=C2)NN=C1 D85523 [0,1,0,0,1,0|2,0,0]=4 96 B13R2.15 OC1=CC=NN1C2=CC=CC=C2 F17316 [0,1,0,0,1,0|2,0,0]=4 97 B13R2.18 BrC1=C(C2=CC=CS2)C=CC=C1 30141 [0,1,0,0,1,0|2,0,0]=4 98 B13R2.18 BrC1=C(C2=CN=CN2)C=CC=C1 91618 [0,1,0,0,1,0|2,0,0]=4 99 B13R2.18 BrC1=C(C2=NC=CO2)C=CC=C1 68251 [0,1,0,0,1,0|1,0,0]=3 100 B13R2.18 BrC1=C(N2C=CC=N2)C=CC=C1 21530 [0,1,0,0,1,0|2,0,0]=4 101 B13R2.18 ClC1=C(C2=NC=CN2)C=CC=C1 AC6780 [0,1,0,0,1,0|0,0,0]=2 102 B13R2.18 FC1=C(C2=CC=CS2)C=CC=C1 C11397 [0,1,0,0,1,0|2,0,0]=4 103 B13R2.18 FC1=C(C2=NC=NN2)C=CC=C1 AC8573 [0,1,0,0,1,0|1,0,0]=3 104 B13R2.18 NC1=C(C2=NC=CN2)C=CC=C1 32484 [0,1,0,0,1,0|0,0,0]=2 105 B13R2.18 NC1=C(C2=NC=NN2)C=CC=C1 Y10387 [0,1,0,0,1,0|1,0,0]=3 106 B13R2.18 NC1=C(C2=NN=NN2)C=CC=C1 30798 [0,1,0,0,1,0|2,0,0]=4 107 B13R2.18 NC1=C(C2=NNC=C2)C=CC=C1 T71597 [0,1,0,0,1,0|2,0,0]=4 108 B13R2.18 OC1=C(C2=CC=CS2)C=CC=C1 W17135 [0,1,0,0,1,0|2,0,0]=4 109 B13R2.18 OC1=C(C2=NC=CN2)C=CC=C1 C75474 [0,1,0,0,1,0|0,0,0]=2 110 B15R2.29 BrC1=CN=C(NC2=CC=CC=C2)N=C1 30031 [0,1,0,0,0,1|1,0,1]=4 111 B15R2.29 ClC1=NC=C(CC2=CC=CC=C2)C=C1 AC4378 [0,1,0,0,0,1|1,0,0]=3 112 B15R2.29 NC1=CC=C(CC2=CC=NC=C2)C=C1 20556 [0,1,0,0,0,1|2,0,0]=4 113 B15R2.29 NC1=CC=C(OC2=NC=CC=N2)C=C1 75956 [0,1,0,0,0,1|1,0,1]=4 114 B15R2.29 NC1=CC=C(OC2=NN=CC=C2)C=C1 W16892 [0,1,0,0,0,1|2,0,0]=4 115 B15R2.31 BrC1=CC(CC2=CC=CC=C2)=CC=C1 F19896 [0,1,0,0,0,1|2,0,0]=4 116 B15R2.31 BrC1=CN=CC(OC2=CC=CC=C2)=C1 W17732 [0,1,0,0,0,1|2,0,0]=4 117 B15R2.31 BrC1=NC(NC2=CC=CC=C2)=CC=C1 W12627 [0,1,0,0,0,1|2,0,0]=4 118 B15R2.31 BrC1=NC(OC2=CC=CC=C2)=CC=C1 D93580 [0,1,0,0,0,1|2,0,0]=4 119 B15R2.31 ClC1=NC(CC2=CC=CC=C2)=CC=C1 F52394 [0,1,0,0,0,1|1,0,0]=3 120 B15R2.31 ClC1=NC(NC2=CC=CC=C2)=CC=N1 W11556 [0,1,0,0,0,1|2,0,0]=4 121 B15R2.31 NC1=CC(OC2=CC=CC=C2)=NC=C1 C74017 [0,1,0,0,0,1|2,0,0]=4 122 B15R2.31 NC1=CC=CC(OC2=CN=CC=C2)=C1 AB9955 [0,1,0,0,0,1|2,0,0]=4 123 B15R2.38 NC1=C(OC2=CC=CC=C2)C=CC=N1 75896 [0,1,0,0,0,1|2,0,0]=4 124 B15R2.38 NC1=C(OC2=CC=CC=C2)C=NC=C1 W10165 [0,1,0,0,0,1|2,0,0]=4 125 B15R2.2226 N[C@@H](C1=CC=CC=C1)C2=CC=NC=C2 C77682 [0,1,0,0,0,1|2,0,0]=4 126 B15R2.2226 OC(C1=CN=CC=C1)C2=CN=CC=C2 F30795 [0,1,0,0,0,1|2,0,0]=4 127 B15R2.2226 OC(C1=NC=CC=C1)C2=NC=CC=C2 C74799 [0,1,0,0,0,1|2,0,0]=4 128 B15R2.64 N[C@@H](CC1=CC=CC=C1)C2=NC=CS2 D82978 [0,1,0,0,0,1|1,0,0]=3 129 B15R2.100 ClC1=CC=C(NCC2=NC=CN2)C=C1 C12994 [0,1,0,0,0,1|0,0,0]=2 130 B15R2.100 NC1=CC=C(OCC2=NC=CS2)C=C1 80031 [0,1,0,0,0,1|1,0,0]=3 131 B15R2.283 NC1=CC(CCC2=CC=CC=C2)=NN1 W10152 [0,1,0,0,0,1|2,0,0]=4 132 B15R2.283 NC1=NNC(OCC2=CC=CC=C2)=C1 F51166 [0,1,0,0,0,1|2,0,0]=4 133 B15R2.562 OC1=C(CNC2=NC=CS2)C=CC=C1 C72276 [0,1,0,0,0,1|1,0,0]=3 134 B15R2.15 O=CC1=CN(CC2=CC=CC=C2)N=C1 25320 [0,2,0,0,0,0|2,0,0]=4 135 B15R2.98 CC1=CC=C(CN2C=C(N)C=N2)C=C1 W18842 [0,2,0,0,0,0|2,0,0]=4 136 B15R2.325 CC1=CC(N)=NN1CC2=CC=CC=C2 80168 [0,2,0,0,0,0|2,0,0]=4 137 B15R2.325 CC1=NN(CC2=CC=CC=C2)C(O)=C1 A12948 [0,2,0,0,0,0|2,0,0]=4 138 B15R2.359 NC1=CC=NN1CC2=C(F)C=CC=C2 39211 [0,2,0,0,0,0|2,0,0]=4 139 B15R2.395 CN1C=CC=C1C(=O)C2=CC=CC=C2 N16896 [0,2,0,0,0,0|1,0,1]=4 140 B15R2.1109 CC1=CC=CC(CC2=CNC=N2)=C1C 78016 [0,2,0,0,0,0|2,0,0]=4 141 B15R2.15371 CC1=CC=CC(C)=C1CC2=NNC=C2 W10968 [0,2,0,0,0,0|2,0,0]=4 142 B15R2.34 N#CC1=CC=C(CN2C=CC=N2)C=C1 A12163 [0,2,0,0,0,0|2,0,0]=4 143 B15R2.91 O=C(C1=CC=C(Cl)C=C1)C2=CC=CN2 F31020 [0,2,0,0,0,0|1,0,1]=4 144 B13R2.3 C1=CC=C(C2=NC=CC=C2)C=C1 F16646 [0,0,1,1,0,0|1,0,1]=4 145 B13R2.3 C1=CC=C(C2=NC=CC=C2)C=C1 F16648 [0,0,1,1,0,0|1,0,1]=4 146 B13R2.1613 NCC1=NC=CC2=CC=CC=C21 W17268 [0,0,1,1,0,0|0,0,2]=4 147 B13R2.328 NC1=CC2=CC=CC=C2C(Cl)=N1 D97487 [0,0,1,1,0,0|1,0,1]=4 148 B13R2.328 O=C1CC2=C(C=CC=C2)C(=O)N1 Y10382 [0,0,1,1,0,0|2,0,0]=4 149 B15R3.3 C1=CN=C2C(=C1)NC3=C2C=CC=C3 C74260 [0,0,0,1,0,1|2,0,0]=4 150 B11R1.16 C=CC[C@H](N)C1=CC=CC=C1 I11297 [0,0,1,0,1,0|1,0,1]=4 151 B11R1.16 C=CC[C@H](N)C1=CC=CC=C1 Y10366 [0,0,1,0,1,0|1,0,1]=4 152 B11R1.16 C=CC[C@H](N)C1=CC=CC=C1 Y12585 [0,0,1,0,1,0|1,0,1]=4 153 B11R1.16 C=CC[C@H](N)C1=CC=CC=C1 Y13293 [0,0,1,0,1,0|1,0,1]=4 154 B11R2.2 C1=CNC(C2=CC=CN2)=C1 A11081 [0,0,0,0,2,0|2,0,0]=4 155 B11R2.2 C1=CNC(C2=NC=CN2)=N1 A10949 [0,0,0,0,2,0|2,0,0]=4 156 B15R2.2195 C1=CC=C(CNC2=CC=CC=C2)C=C1 E70421 [0,0,0,0,0,2|2,0,0]=4 157 B15R2.2195 C1=CC=C(COC2=CN=CC=C2)C=C1 W19145 [0,0,0,0,0,2|1,0,0]=3 158 B15R2.2196 C1=CC=C(CNCC2=CN=CN2)C=C1 W11631 [0,0,0,0,0,2|2,0,0]=4 159 B15R2.2196 C1=CC=C(CNCC2=NNC=C2)C=C1 W11637 [0,0,0,0,0,2|2,0,0]=4