0 B13R2.3 C1=CC=C(C2=CC=CN=N2)C=C1 O11049 [0,0,0,0,0,0|2,0,0]=2 1 B13R2.3 C1=CC=C([C@@H]2CC=CCC2)C=C1 T72524 [0,0,0,0,0,0|0,0,4]=4 2 B13R2.3 C1=CN=C(C2=NC=CC=C2)C=C1 E71402 [0,0,0,0,0,0|2,0,0]=2 3 B13R2.3 C1=CN=C(C2=NC=CC=C2)C=C1 F20805 [0,0,0,0,0,0|2,0,0]=2 4 B13R2.3 C1=CN=C(C2=NC=CC=C2)C=C1 T72223 [0,0,0,0,0,0|2,0,0]=2 5 B13R2.3 C1=CN=C(C2=NC=CC=C2)C=C1 T72948 [0,0,0,0,0,0|2,0,0]=2 6 B14R2.21 BrC1=CN=CC(C2=CC=NC=C2)=C1 A11868 [0,1,0,0,0,0|2,0,0]=3 7 B14R2.21 BrC1=NC(C2=CC=CC=C2)=CC=N1 D76762 [0,1,0,0,0,0|2,0,0]=3 8 B14R2.21 CC1=CC(C2=NC=CC=C2)=NC=C1 N12815 [0,1,0,0,0,0|2,0,0]=3 9 B14R2.21 ClC1=NN=CC(C2=CC=CC=C2)=C1 C91042 [0,1,0,0,0,0|2,0,0]=3 10 B14R2.21 FC1=CC(C2=CC=CC=C2)=CC=C1 C10731 [0,1,0,0,0,0|0,0,0]=1 11 B14R2.21 FC1=NC(C2=CC=CC=C2)=CC=C1 55489 [0,1,0,0,0,0|1,0,0]=2 12 B14R2.21 NC1=CC=CC(C2=CC=CN=C2)=C1 30465 [0,1,0,0,0,0|1,0,0]=2 13 B14R2.21 NC1=CC=CC(C2=NC=CC=N2)=C1 FD10688 [0,1,0,0,0,0|2,0,0]=3 14 B14R2.21 NC1=CC=CC([N+]2=CC=CC=C2)=C1 O10270 [0,1,0,0,0,0|1,0,0]=2 15 B14R2.21 NC1=CC=NC(C2=CN=CC=C2)=N1 CS1197 [0,1,0,0,0,0|3,0,0]=4 16 B14R2.21 NC1=NC(C2=CC=CC=C2)=CN=N1 AT25742 [0,1,0,0,0,0|3,0,0]=4 17 B14R2.21 NC1=NC=NC(C2=CC=NC=C2)=C1 92091 [0,1,0,0,0,0|3,0,0]=4 18 B14R2.21 O=C1C=C(C2=CC=CC=C2)C=NN1 C91861 [0,1,0,0,0,0|2,0,0]=3 19 B14R2.21 O=C1C=C(C2=CC=CC=C2)CCC1 54499 [0,1,0,0,0,0|0,0,3]=4 20 B14R2.21 O=C1C=CN[C@H](C2=CC=CC=C2)C1 55539 [0,1,0,0,0,0|1,0,2]=4 21 B14R2.21 O=C1N=C(C2=CC=CC=C2)C=NN1 AT25741 [0,1,0,0,0,0|3,0,0]=4 22 B14R2.21 OC1=NC(C2=CC=CC=C2)=NC=C1 F50833 [0,1,0,0,0,0|2,0,0]=3 23 B14R2.21 OC1=NC(C2=CC=NC=C2)=CC=N1 S11429 [0,1,0,0,0,0|3,0,0]=4 24 B14R2.24 BrC1=C(C2=CC=NC=C2)C=CC=C1 T70014 [0,1,0,0,0,0|1,0,0]=2 25 B14R2.24 BrC1=C(C2=CN=CC=C2)C=CC=C1 T71384 [0,1,0,0,0,0|1,0,0]=2 26 B14R2.24 ClC1=NC=CN=C1C2=CC=CC=C2 AC6100 [0,1,0,0,0,0|2,0,0]=3 27 B14R2.24 NC1=C(C2=CC=NC=C2)C=CN=C1 75954 [0,1,0,0,0,0|2,0,0]=3 28 B14R2.24 NC1=C(C2=NC=CC=C2)C=CC=C1 N12890 [0,1,0,0,0,0|1,0,0]=2 29 B14R2.24 NC1=NC=CN=C1C2=CC=CC=C2 D79990 [0,1,0,0,0,0|2,0,0]=3 30 B14R2.24 SC1=C(C2=CC=CC=C2)C=CC=C1 C15446 [0,1,0,0,0,0|0,0,0]=1 31 B14R2.68 ClC1=CN=C(C2=NC=CC=C2)C=C1 C73122 [0,1,0,0,0,0|2,0,0]=3 32 B14R2.68 ClC1=NN=C(C2=NC=CC=C2)C=C1 59630 [0,1,0,0,0,0|3,0,0]=4 33 B14R2.68 FC1=NC=C(C2=CC=CC=C2)C=C1 55491 [0,1,0,0,0,0|1,0,0]=2 34 B14R2.68 IC1=NC=C(C2=CC=CC=C2)C=C1 F11449 [0,1,0,0,0,0|1,0,0]=2 35 B14R2.68 NC1=CC=C(C2=CC=CN=C2)C=C1 32804 [0,1,0,0,0,0|1,0,0]=2 36 B14R2.68 NC1=CC=C(C2=CC=CN=C2)C=C1 AC2224 [0,1,0,0,0,0|1,0,0]=2 37 B14R2.68 NC1=CC=C(C2=CC=NC=C2)C=C1 AC3174 [0,1,0,0,0,0|1,0,0]=2 38 B14R2.68 NC1=CN=C(C2=NC=CC=C2)N=C1 AC2892 [0,1,0,0,0,0|3,0,0]=4 39 B14R2.68 NC1=NC=C(C2=CN=CC=C2)C=C1 O10238 [0,1,0,0,0,0|2,0,0]=3 40 B14R2.68 NC1=NC=C(C2=CN=CC=C2)N=C1 92027 [0,1,0,0,0,0|3,0,0]=4 41 B14R2.68 NC1=NC=C(C2=NC=CC=C2)C=C1 P11359 [0,1,0,0,0,0|2,0,0]=3 42 B14R2.68 NC1=NC=C(C2=NC=CN=C2)C=C1 CS1003 [0,1,0,0,0,0|3,0,0]=4 43 B14R2.68 O=C1C=CC(C2=CN=CC=C2)=NN1 65667 [0,1,0,0,0,0|3,0,0]=4 44 B14R2.68 O=C1C=NC(C2=CC=CC=C2)=NN1 W17751 [0,1,0,0,0,0|3,0,0]=4 45 B12R2.2 C1=CC(C2=COC=N2)=CN=C1 O11100 [0,0,0,0,1,0|3,0,0]=4 46 B12R2.2 C1=CC=C(C2=CCCC2)C=C1 F14027 [0,0,0,0,1,0|0,0,3]=4 47 B12R2.2 C1=CC=C(C2=CCNC2)C=C1 F52289 [0,0,0,0,1,0|1,0,2]=4 48 B12R2.2 C1=CC=C(C2=CSC=C2)C=C1 T72133 [0,0,0,0,1,0|1,0,0]=2 49 B12R2.2 C1=CC=C(C2=NON=C2)C=C1 AC2765 [0,0,0,0,1,0|3,0,0]=4 50 B12R2.2 C1=CC=C(N2C=CCC2)C=C1 C14865 [0,0,0,0,1,0|1,0,2]=4 51 B12R2.2 C1=CC=C(N2N=CC=N2)C=C1 F17311 [0,0,0,0,1,0|3,0,0]=4 52 B12R2.2 C1=CN=CC(N2C=CC=N2)=C1 65644 [0,0,0,0,1,0|3,0,0]=4 53 B14R2.6 C1=CC=C(C[N+]2=CC=NC=C2)C=C1 AC4633 [0,0,0,0,0,1|2,0,0]=3 54 B14R2.6 C1=CC=C([I+]C2=CC=CC=C2)C=C1 T71142 [0,0,0,0,0,1|0,0,0]=1 55 B14R2.6 C1=CN=C(CC2=CC=NC=C2)C=C1 71411 [0,0,0,0,0,1|2,0,0]=3 56 B14R2.6 C1=CN=C(CC2=CN=CC=C2)C=C1 72433 [0,0,0,0,0,1|2,0,0]=3 57 B13R2.10 BrC1=CC=C(C2=CN=CC=C2)O1 F51943 [0,1,0,0,1,0|2,0,0]=4 58 B13R2.10 BrC1=NNC(C2=CC=CC=C2)=C1 D80227 [0,1,0,0,1,0|2,0,0]=4 59 B13R2.10 NC1=CN(C2=CC=CC=C2)C=N1 F17313 [0,1,0,0,1,0|2,0,0]=4 60 B13R2.10 OC1=CC(C2=CC=CC=C2)=NO1 AC5685 [0,1,0,0,1,0|2,0,0]=4 61 B13R2.12 BrC1=CN=C(C2=CC=CS2)C=C1 T71457 [0,1,0,0,1,0|2,0,0]=4 62 B13R2.12 CC1=CC=C(C2=CC=CN2)C=C1 98609 [0,1,0,0,1,0|1,0,0]=3 63 B13R2.12 CC1=CC=C(C2=CN=CO2)C=C1 C90980 [0,1,0,0,1,0|2,0,0]=4 64 B13R2.12 CC1=CC=C(C2=NC=CN2)C=C1 AC6024 [0,1,0,0,1,0|2,0,0]=4 65 B13R2.12 CC1=CC=C(N2C=CC=C2)C=C1 67070 [0,1,0,0,1,0|1,0,0]=3 66 B13R2.12 CC1=CC=C(N2C=CC=N2)C=C1 66774 [0,1,0,0,1,0|2,0,0]=4 67 B13R2.12 ClC1=CC=C(C2=CC=CN2)C=C1 98605 [0,1,0,0,1,0|1,0,0]=3 68 B13R2.12 ClC1=CC=C(C2=NC=CN2)C=C1 AC6111 [0,1,0,0,1,0|2,0,0]=4 69 B13R2.12 FC1=NC=C(C2=CC=CS2)C=C1 C10399 [0,1,0,0,1,0|2,0,0]=4 70 B13R2.12 IC1=CC=C(C2=NC=CO2)C=C1 S11018 [0,1,0,0,1,0|2,0,0]=4 71 B13R2.12 NC1=CC=C(C2=CC=CS2)C=C1 F16673 [0,1,0,0,1,0|1,0,0]=3 72 B13R2.12 NC1=CC=C(C2=NC=CN2)C=C1 AC3538 [0,1,0,0,1,0|2,0,0]=4 73 B13R2.13 BrC1=CC(C2=NC=CS2)=CC=C1 AT22773 [0,1,0,0,1,0|2,0,0]=4 74 B13R2.13 CC1=CC=CC(C2=CNN=C2)=C1 O11095 [0,1,0,0,1,0|2,0,0]=4 75 B13R2.13 ClC1=CC(C2=CC=NN2)=CC=C1 31190 [0,1,0,0,1,0|2,0,0]=4 76 B13R2.13 ClC1=CC(C2=NC=CN2)=CC=C1 AC5779 [0,1,0,0,1,0|2,0,0]=4 77 B13R2.13 FC1=CC(C2=CC=CN2)=CC=C1 98626 [0,1,0,0,1,0|1,0,0]=3 78 B13R2.13 NC1=CC=CC(C2=COC=N2)=C1 D82649 [0,1,0,0,1,0|2,0,0]=4 79 B13R2.13 OC1=CC(C2=NC=CN2)=CC=C1 AC6288 [0,1,0,0,1,0|2,0,0]=4 80 B13R2.15 CC1=CNN=C1C2=CC=CC=C2 C72531 [0,1,0,0,1,0|2,0,0]=4 81 B13R2.15 CN1C=NC=C1C2=CC=CC=C2 91616 [0,1,0,0,1,0|2,0,0]=4 82 B13R2.15 IC1=NNC=C1C2=CC=CC=C2 50298 [0,1,0,0,1,0|2,0,0]=4 83 B13R2.18 FC1=C(C2=CC=CN2)C=CC=C1 I11621 [0,1,0,0,1,0|1,0,0]=3 84 B13R2.18 FC1=C(C2=NC=CN2)C=CC=C1 F18157 [0,1,0,0,1,0|2,0,0]=4 85 B13R2.18 NC1=C(C2=NC=CO2)C=CC=C1 68252 [0,1,0,0,1,0|2,0,0]=4 86 B15R2.29 BrC1=CC=[N+](CC2=CC=CC=C2)C=C1 S11215 [0,1,0,0,0,1|1,0,0]=3 87 B15R2.29 BrC1=NC=C(CC2=CC=CC=C2)C=C1 AC4131 [0,1,0,0,0,1|1,0,0]=3 88 B15R2.29 ClC1=NN=C(OC2=CC=CC=C2)C=C1 AT23122 [0,1,0,0,0,1|2,0,0]=4 89 B15R2.29 O=C1C=CN(CC2=CC=CC=C2)C=C1 P10133 [0,1,0,0,0,1|1,0,0]=3 90 B15R2.31 ClC1=CC(NC2=CC=CC=C2)=CC=C1 C77692 [0,1,0,0,0,1|0,0,0]=2 91 B15R2.31 NC1=CC(OC2=CC=CC=C2)=NC=N1 92059 [0,1,0,0,0,1|2,0,0]=4 92 B15R2.2226 N[C@@H](C1=CC=CC=C1)C2=CC=NC=C2 AT26588 [0,1,0,0,0,1|1,0,0]=3 93 B15R2.2226 O=C(C1=CN=CC=C1)C2=NC=CC=C2 C10337 [0,1,0,0,0,1|2,0,0]=4 94 B15R2.2226 O=[13C](C1=CC=CC=C1)C2=CC=CC=C2 D99418 [0,1,0,0,0,1|0,0,0]=2 95 B15R2.2226 O[C@@H](C1=CC=CC=C1)C2=CN=CC=C2 AR2837 [0,1,0,0,0,1|1,0,0]=3 96 B15R2.17 NCC1=CC=CC(C2=NC=CC=N2)=C1 68562 [0,2,0,0,0,0|2,0,0]=4 97 B15R2.17 O=CC1=CC(C2=NC=CC=C2)=NC=C1 N13307 [0,2,0,0,0,0|2,0,0]=4 98 B15R2.17 O=CC1=NC(C2=CC=CC=C2)=NC=C1 D75908 [0,2,0,0,0,0|2,0,0]=4 99 B15R2.17 O=CC1=NC=CC(C2=CC=CC=C2)=C1 84302 [0,2,0,0,0,0|1,0,0]=3 100 B15R2.17 OCC1=NC(C2=CC=NC=C2)=CC=C1 W10527 [0,2,0,0,0,0|2,0,0]=4 101 B15R2.27 CC1=NC(=S)NC(C2=CC=CC=C2)=C1 D73959 [0,2,0,0,0,0|2,0,0]=4 102 B15R2.27 CC1=NC(C2=CC=CC=C2)=CC(Cl)=N1 C74493 [0,2,0,0,0,0|2,0,0]=4 103 B15R2.28 BrC1=CC=CC(C2=CC=C(I)C=C2)=C1 C15175 [0,2,0,0,0,0|0,0,0]=2 104 B15R2.28 FC1=CC=C(C2=CC=NC(=S)N2)C=C1 D73954 [0,2,0,0,0,0|2,0,0]=4 105 B15R2.28 NC1=CC(C2=CC=C(Cl)C=C2)=NC=N1 92105 [0,2,0,0,0,0|2,0,0]=4 106 B15R2.28 NC1=CC=CC(C2=CC=C(F)C=C2)=C1 34892 [0,2,0,0,0,0|0,0,0]=2 107 B15R2.28 NC1=NC=C(C2=CC=CC(Cl)=C2)C=C1 C78550 [0,2,0,0,0,0|1,0,0]=3 108 B15R2.28 OC1=CC=CC(C2=CC=C(Cl)C=C2)=C1 C78120 [0,2,0,0,0,0|0,0,0]=2 109 B15R2.28 OC1=CC=CC(C2=CC=C(F)C=C2)=C1 C77735 [0,2,0,0,0,0|0,0,0]=2 110 B15R2.28 SC1=NC=CC(C2=CC=C(Br)C=C2)=N1 N10449 [0,2,0,0,0,0|2,0,0]=4 111 B15R2.30 NC1=CC(C2=CC=CC(Cl)=C2)=NC=N1 92107 [0,2,0,0,0,0|2,0,0]=4 112 B15R2.30 NC1=CC=CC(C2=CC=CC(Cl)=C2)=C1 C78313 [0,2,0,0,0,0|0,0,0]=2 113 B15R2.30 NC1=CC=CC(C2=CC=CC(F)=C2)=C1 69382 [0,2,0,0,0,0|0,0,0]=2 114 B15R2.30 NC1=CC=CC(C2=CC=NC(Cl)=N2)=C1 AC6983 [0,2,0,0,0,0|2,0,0]=4 115 B15R2.30 OC1=CC=CC(C2=CC=CC(Cl)=C2)=C1 C78167 [0,2,0,0,0,0|0,0,0]=2 116 B15R2.33 CC1=C(C2=CC=CC=C2)N=C(N)N=C1 95191 [0,2,0,0,0,0|2,0,0]=4 117 B15R2.33 CC1=NN=C(Cl)C=C1C2=CC=CC=C2 AT11131 [0,2,0,0,0,0|2,0,0]=4 118 B15R2.33 FC1=CN=C(Cl)C=C1C2=CC=CC=C2 98053 [0,2,0,0,0,0|1,0,0]=3 119 B15R2.33 FC1=CN=C(F)C=C1C2=CC=CC=C2 98051 [0,2,0,0,0,0|1,0,0]=3 120 B15R2.33 O=C1C=C(C2=CC=CC=C2)C(F)=CN1 98052 [0,2,0,0,0,0|1,0,0]=3 121 B15R2.94 CC1=C(F)C=C(C2=NC=CC=C2)C=C1 F30908 [0,2,0,0,0,0|1,0,0]=3 122 B15R2.94 CC1=CN=C(C2=CC=CC=C2)C=C1C F12452 [0,2,0,0,0,0|1,0,0]=3 123 B15R2.94 FC1=C(F)C=C(C2=CC=CC=C2)C=C1 C16205 [0,2,0,0,0,0|0,0,0]=2 124 B15R2.94 NC1=CC(C2=CC=CC=C2)=NNC1=O 57029 [0,2,0,0,0,0|2,0,0]=4 125 B15R2.94 NC1=CC(C2=NC=CC=C2)=CNC1=O O11340 [0,2,0,0,0,0|2,0,0]=4 126 B15R2.332 NC1=CC=CC(C2=C(Cl)C=CC=C2)=C1 C78561 [0,2,0,0,0,0|0,0,0]=2 127 B15R2.332 OC1=CC=CC(C2=C(Cl)C=CC=C2)=C1 C77917 [0,2,0,0,0,0|0,0,0]=2 128 B15R2.21 COC1=C(C2=CN=CC=C2)C=CC=C1 AT24138 [0,2,0,0,0,0|1,0,0]=3 129 B15R2.21 COC1=NC=CC=C1C2=CC=CC=C2 F50799 [0,2,0,0,0,0|1,0,0]=3 130 B15R2.21 NCC1=C(C2=CC=CC=C2)C=CC=C1 AR1214 [0,2,0,0,0,0|0,0,0]=2 131 B15R2.21 O=CC1=C(C2=CC=CC=C2)N=CC=C1 N11638 [0,2,0,0,0,0|1,0,0]=3 132 B15R2.308 CC1=C(C2=CC=C(N)C=C2)C=CC=C1 AC9758 [0,2,0,0,0,0|0,0,0]=2 133 B15R2.308 CC1=CC=C(C2=C(I)C=CC=C2)C=C1 F21378 [0,2,0,0,0,0|0,0,0]=2 134 B15R2.308 NC1=C(C2=CC=C(Cl)C=C2)C=CC=C1 CX1013 [0,2,0,0,0,0|0,0,0]=2 135 B15R2.308 NC1=C(C2=CC=C(F)C=C2)C=CC=C1 C78138 [0,2,0,0,0,0|0,0,0]=2 136 B15R2.308 O=C1C=CC(C2=C(Cl)C=CC=C2)=CN1 W11301 [0,2,0,0,0,0|1,0,0]=3 137 B15R2.308 OC1=CC=C(C2=C(F)C=CC=C2)C=C1 A50600 [0,2,0,0,0,0|0,0,0]=2 138 B15R2.308 [BH3-]C1=CC=C(C2=C(F)C=CC=C2)C=C1 AC8497 [0,2,0,0,0,0|0,0,0]=2 139 B15R2.389 CC1=CC(Br)=C(C2=NC=CC=N2)C=C1 F50613 [0,2,0,0,0,0|2,0,0]=4 140 B15R2.389 NC1=C(C2=CC=CC=C2)C=CC(Cl)=C1 AC7186 [0,2,0,0,0,0|0,0,0]=2 141 B15R2.389 NC1=C(C2=CN=CC=C2)C=CC(Cl)=N1 96321 [0,2,0,0,0,0|2,0,0]=4 142 B15R2.389 NC1=CC(Cl)=C(C2=CC=NC=C2)C=C1 W12177 [0,2,0,0,0,0|1,0,0]=3 143 B15R2.541 OC1=NC=NC(O)=C1C2=CC=CC=C2 W12084 [0,2,0,0,0,0|2,0,0]=4 144 B15R2.555 CC1=NC=CC=C1C2=C(C)N=CC=C2 AC6993 [0,2,0,0,0,0|2,0,0]=4 145 B15R2.1 BrCC1=CN=C(C2=CC=CC=C2)C=C1 D74753 [0,2,0,0,0,0|1,0,0]=3 146 B15R2.1 N#CC1=CC=C(C2=NC=CC=C2)C=C1 F19727 [0,2,0,0,0,0|1,0,0]=3 147 B15R2.1 N#CC1=CC=C(C2=NC=CC=N2)C=C1 F17987 [0,2,0,0,0,0|2,0,0]=4 148 B15R2.1 NNC1=CC=C(C2=CC=CC=C2)C=C1 D74954 [0,2,0,0,0,0|0,0,0]=2 149 B15R2.1 NNC1=CC=C(C2=CC=CC=C2)C=C1 F10460 [0,2,0,0,0,0|0,0,0]=2 150 B15R2.1 OCC1=NC=C(C2=CC=CC=C2)C=C1 D80068 [0,2,0,0,0,0|1,0,0]=3 151 B15R2.3 CC1=NC=C(C2=CN=C(C)C=C2)C=C1 AC6963 [0,2,0,0,0,0|2,0,0]=4 152 B15R2.3 CC1=NN=C(C2=CC=C(Br)C=C2)C=C1 O10868 [0,2,0,0,0,0|2,0,0]=4 153 B15R2.3 NC1=CN=C(C2=CC=C(Br)C=C2)N=C1 AC6912 [0,2,0,0,0,0|2,0,0]=4 154 B15R2.3 NC1=CN=C(C2=CC=C(O)C=C2)N=C1 AC2893 [0,2,0,0,0,0|2,0,0]=4 155 B15R2.3 OC1=CC=C(C2=NC=C(O)C=N2)C=C1 D75674 [0,2,0,0,0,0|2,0,0]=4 156 B15R2.3 [2H]C1=CC=C(C2=CC=C([2H])C=C2)C=C1 D98715 [0,2,0,0,0,0|0,0,0]=2 157 B13R2.371 FC1=CC=C(I)C2=CC=CC=C12 A51050 [0,0,1,1,0,0|2,0,0]=4 158 B13R2.371 NC1=CC=C(O)C2=CC=CC=C12 C16048 [0,0,1,1,0,0|2,0,0]=4 159 B13R2.371 OC1=CC=C(I)C2=CC=CC=C12 O11251 [0,0,1,1,0,0|2,0,0]=4 160 B15R3.3 C1=CC2=C(C=C1)C3=C(C=CC=C3)[Se]2 A50068 [0,0,0,1,0,1|0,0,0]=2 161 B15R2.2195 C1=CC=C(CNC2=CN=CN=C2)C=C1 F18696 [0,0,0,0,0,2|2,0,0]=4 162 B15R2.2195 C1=CC=C(COC2=CN=CC=C2)C=C1 W18609 [0,0,0,0,0,2|1,0,0]=3