0 B12R2.24 BrC1=CC2=CC=NC=C2N=C1 F53460 [0,0,0,0,0,0|4,0,0]=4 1 B12R2.24 BrC1=CC2=NC=CN=C2C=N1 78563 [0,0,0,0,0,0|3,0,0]=3 2 B12R2.24 BrC1=NC2=CC=NC=C2C=C1 80803 [0,0,0,0,0,0|4,0,0]=4 3 B12R2.24 IC1=CC2=NC=CC=C2C=C1 F13952 [0,0,0,0,0,0|3,0,0]=3 4 B12R2.24 NC1=CC2=NC=CN=C2C=N1 AT11738 [0,0,0,0,0,0|3,0,0]=3 5 B12R2.24 NC1=NC2=NC=CN=C2C=N1 D86132 [0,0,0,0,0,0|4,0,0]=4 6 B12R2.24 OC1=CC2=CN=CN=C2C=C1 D77556 [0,0,0,0,0,0|2,0,0]=2 7 B12R2.24 OC1=CC2=NC=CC=C2N=C1 F53687 [0,0,0,0,0,0|4,0,0]=4 8 B12R2.24 [2H]C1=CC2=CC=CC=C2N=C1 AC4553 [0,0,0,0,0,0|3,0,0]=3 9 B12R2.24 [2H]C1=CC=C2C=CC=NC2=C1 AC4557 [0,0,0,0,0,0|3,0,0]=3 10 B12R2.24 [2H]C1=CC=C2N=CC=CC2=C1 AC4556 [0,0,0,0,0,0|1,0,0]=1 11 B12R2.24 [2H]C1=NC2=CC=CC=C2C=C1 AC4552 [0,0,0,0,0,0|3,0,0]=3 12 B13R2.32 CC1=C(Br)C=NC2=NC=CC=C21 AC8206 [0,1,0,0,0,0|2,0,0]=3 13 B13R2.32 CC1=C(F)C=CC2=NC=CN=C21 D80080 [0,1,0,0,0,0|2,0,0]=3 14 B13R2.32 CC1=C(I)C2=CC=NC=C2C=C1 AT16422 [0,1,0,0,0,0|2,0,0]=3 15 B13R2.32 CC1=[N+]([O-])C2=CC=CC=C2N=C1 AC9519 [0,1,0,0,0,0|3,0,0]=4 16 B13R2.32 ClC1=C(Br)C=CC2=CN=CC=C21 E70447 [0,1,0,0,0,0|3,0,0]=4 17 B13R2.32 NC1=C(Cl)C2=CC=CN=C2C=C1 D87214 [0,1,0,0,0,0|1,0,0]=2 18 B13R2.32 OC1=C(Br)C2=CC=NC=C2C=C1 D87212 [0,1,0,0,0,0|3,0,0]=4 19 B13R2.32 OC1=C(Br)C=NC2=NC=CC=C21 AC9365 [0,1,0,0,0,0|2,0,0]=3 20 B13R2.32 OC1=C(Cl)C2=CC=NC=C2C=C1 C16711 [0,1,0,0,0,0|3,0,0]=4 21 B13R2.57 C#CC1=CC2=CC=CC=C2C=N1 O11004 [0,1,0,0,0,0|2,0,1]=4 22 B13R2.57 COC1=CC2=NC=CC=C2N=C1 H10113 [0,1,0,0,0,0|3,0,0]=4 23 B13R2.57 ClCC1=NC2=NC=CC=C2C=C1 D74771 [0,1,0,0,0,0|3,0,0]=4 24 B13R2.57 NNC1=CC=C2N=CC=CC2=C1 CX1202 [0,1,0,0,0,0|1,0,0]=2 25 B13R2.155 BrC1=CC=C2C=NC(Br)=CC2=C1 D80056 [0,1,0,0,0,0|3,0,0]=4 26 B13R2.155 BrC1=CN=C2N=CC(Br)=CC2=C1 98147 [0,1,0,0,0,0|2,0,0]=3 27 B13R2.155 CC1=CC=C2C=CC(N)=NC2=C1 98094 [0,1,0,0,0,0|2,0,0]=3 28 B13R2.155 CC1=CC=C2N=CC(Br)=CC2=N1 AT25403 [0,1,0,0,0,0|1,0,0]=2 29 B13R2.155 CC1=NC2=CC(N)=CC=C2C=C1 AT13264 [0,1,0,0,0,0|2,0,0]=3 30 B13R2.155 CC1=NC=C2C=CC(Br)=CC2=C1 D79825 [0,1,0,0,0,0|2,0,0]=3 31 B13R2.155 ClC1=CN=C2C=NC(Cl)=NC2=C1 98557 [0,1,0,0,0,0|3,0,0]=4 32 B13R2.155 ClC1=NC=C2N=CC(Br)=CC2=N1 P12059 [0,1,0,0,0,0|3,0,0]=4 33 B13R2.155 NC1=CC=C2C=CC(Br)=CC2=C1 AT10621 [0,1,0,0,0,0|2,0,0]=3 34 B13R2.162 BrC1=C2C=C(I)C=NC2=CC=C1 80413 [0,1,0,0,0,0|3,0,0]=4 35 B13R2.162 BrC1=CN=C2N=CC=C(I)C2=C1 57914 [0,1,0,0,0,0|2,0,0]=3 36 B13R2.162 CC1=C2C=C(Br)C=CC2=CN=C1 79128 [0,1,0,0,0,0|3,0,0]=4 37 B13R2.162 CC1=C2N=C(Br)C=CC2=NC=C1 AT25405 [0,1,0,0,0,0|2,0,0]=3 38 B13R2.162 CC1=CC=C2N=CC=C(Br)C2=N1 AT25402 [0,1,0,0,0,0|1,0,0]=2 39 B13R2.162 ClC1=CN=C2N=CC=C(Cl)C2=C1 D73724 [0,1,0,0,0,0|2,0,0]=3 40 B13R2.162 FC1=NC=C2N=CN=C(Cl)C2=C1 E71989 [0,1,0,0,0,0|3,0,0]=4 41 B13R2.162 NC1=C2C=C(F)C=CC2=CC=N1 K10314 [0,1,0,0,0,0|3,0,0]=4 42 B13R2.162 NC1=C2C=C(F)C=CC2=CN=C1 K10184 [0,1,0,0,0,0|3,0,0]=4 43 B13R2.162 NC1=CC=C2C=CC=C(O)C2=C1 N14312 [0,1,0,0,0,0|2,0,0]=3 44 B13R2.162 NC1=CC=C2C=NC=C(Br)C2=C1 D71265 [0,1,0,0,0,0|3,0,0]=4 45 B13R2.162 O=C1C=CN=C2C=CC(Cl)=NN12 C91162 [0,1,0,0,0,0|3,0,0]=4 46 B13R2.162 O=C1C=CN=C2C=NC(Br)=CN12 C91164 [0,1,0,0,0,0|3,0,0]=4 47 B13R2.162 O=C1C=CSC2=C1C=C(Br)C=C2 D74311 [0,1,0,0,0,0|2,0,0]=3 48 B13R2.162 O=C1C=CSC2=C1C=C(Cl)C=C2 D74310 [0,1,0,0,0,0|2,0,0]=3 49 B13R2.162 O=C1C=CSC2=C1C=C(F)C=C2 D74312 [0,1,0,0,0,0|2,0,0]=3 50 B13R2.162 OC1=C2C=C(Cl)C=NC2=NC=C1 D73722 [0,1,0,0,0,0|2,0,0]=3 51 B13R2.162 OC1=C2N=C(Br)C=CC2=NC=C1 AT22934 [0,1,0,0,0,0|2,0,0]=3 52 B13R2.162 OC1=CC=C2C=NC=C(Br)C2=C1 K10287 [0,1,0,0,0,0|3,0,0]=4 53 B13R2.162 OC1=CC=C2N=CN=C(Cl)C2=C1 P10583 [0,1,0,0,0,0|2,0,0]=3 54 B13R2.162 OC1=CN=C2C=CC=C(Br)C2=C1 D76867 [0,1,0,0,0,0|3,0,0]=4 55 B13R2.328 BrC1=CC2=CN=CC=C2C(Br)=C1 D87201 [0,1,0,0,0,0|3,0,0]=4 56 B13R2.328 CC1=CC(O)=CC2=CC=CC=C12 AT25263 [0,1,0,0,0,0|2,0,0]=3 57 B13R2.328 CC1=NC2=NC=CN=C2C(Cl)=N1 AT14202 [0,1,0,0,0,0|3,0,0]=4 58 B13R2.328 FC1=CC(Br)=CC2=NC=CC=C12 K10313 [0,1,0,0,0,0|3,0,0]=4 59 B13R2.328 FC1=CC2=CN=CC=C2C(Br)=C1 D87195 [0,1,0,0,0,0|3,0,0]=4 60 B13R2.328 NC1=CC(=O)C2=C(C=CC=C2)S1 D74313 [0,1,0,0,0,0|3,0,0]=4 61 B13R2.328 NC1=CC(F)=CC2=CN=CC=C12 D87196 [0,1,0,0,0,0|3,0,0]=4 62 B13R2.328 NC1=CC2=NC=CC=C2C(F)=C1 K10284 [0,1,0,0,0,0|3,0,0]=4 63 B13R2.328 O=C1NC2=C(N=CC=C2)C(=O)O1 AT21426 [0,1,0,0,0,0|3,0,0]=4 64 B13R2.328 OC1=CC(Br)=CC2=NC=CN=C12 D79816 [0,1,0,0,0,0|2,0,0]=3 65 B13R2.328 OC1=CC2=CC=NC=C2C(Br)=C1 88828 [0,1,0,0,0,0|3,0,0]=4 66 B13R2.328 OC1=CC2=NC=CC=C2C(Cl)=C1 K10269 [0,1,0,0,0,0|3,0,0]=4 67 B13R2.328 OC1=CC2=NC=CC=C2C(F)=C1 K10270 [0,1,0,0,0,0|3,0,0]=4 68 B13R2.369 CC1=CC2=CC=CC=C2C=C1N D88160 [0,1,0,0,0,0|1,0,0]=2 69 B13R2.369 NC1=CC2=C(C=CC=C2)NC1=O AC9491 [0,1,0,0,0,0|3,0,0]=4 70 B13R2.3683 CC1=CC=C2C=C(Br)C=NC2=N1 AC8565 [0,1,0,0,0,0|2,0,0]=3 71 B13R2.3683 CC1=CC=C2N=C(Br)C=CC2=N1 AT25404 [0,1,0,0,0,0|1,0,0]=2 72 B13R2.3683 CC1=CC=C2N=C(O)C=CC2=N1 89272 [0,1,0,0,0,0|1,0,0]=2 73 B13R2.3683 CC1=NC=C2C=C(Br)C=CC2=N1 91139 [0,1,0,0,0,0|2,0,0]=3 74 B13R2.3683 ClC1=CC=C2N=C(Br)N=CC2=C1 AC8211 [0,1,0,0,0,0|2,0,0]=3 75 B13R2.3683 ClC1=NC=C2C=C(Br)C=NC2=N1 P11807 [0,1,0,0,0,0|3,0,0]=4 76 B13R2.3683 FC1=CN=C2C=C(Cl)C=CC2=C1 AT16383 [0,1,0,0,0,0|3,0,0]=4 77 B13R2.3683 NC1=CC=C2C=C(Cl)N=CC2=C1 D74437 [0,1,0,0,0,0|3,0,0]=4 78 B13R2.3683 NC1=CC=C2N=C(N)N=CC2=C1 D74584 [0,1,0,0,0,0|2,0,0]=3 79 B13R2.3683 O=C1C=C2C=CC(Br)=CC2=CN1 P20226 [0,1,0,0,0,0|3,0,0]=4 80 B13R2.5179 CC1=C2C=CC(Br)=CC2=CN=C1 D75503 [0,1,0,0,0,0|3,0,0]=4 81 B13R2.5179 CC1=C2C=CC(Cl)=CC2=CN=C1 D75502 [0,1,0,0,0,0|3,0,0]=4 82 B13R2.5179 CC1=C2C=CC(O)=CC2=CC=C1 N14584 [0,1,0,0,0,0|2,0,0]=3 83 B13R2.5179 CC1=CC2=C(C=N1)C(=O)NC=C2 F31201 [0,1,0,0,0,0|3,0,0]=4 84 B13R2.5179 CC1=CC2=CC=CC(N)=C2C=N1 W18629 [0,1,0,0,0,0|2,0,0]=3 85 B13R2.5179 CC1=CC=C2C(=C1)N=CN=C2N D74591 [0,1,0,0,0,0|3,0,0]=4 86 B13R2.5179 CC1=CC=C2C(Br)=CC=NC2=N1 AC9425 [0,1,0,0,0,0|3,0,0]=4 87 B13R2.5179 CC1=CC=C2C(Cl)=CC=NC2=N1 AT22589 [0,1,0,0,0,0|3,0,0]=4 88 B13R2.5179 FC1=C2C=CC(Br)=NC2=CC=C1 D71269 [0,1,0,0,0,0|3,0,0]=4 89 B13R2.5179 FC1=C2C=NC(Cl)=CC2=CC=C1 AT17179 [0,1,0,0,0,0|3,0,0]=4 90 B13R2.5179 FC1=CC=C2C(Br)=CC=CC2=C1 AT23038 [0,1,0,0,0,0|2,0,0]=3 91 B13R2.5179 NC1=C2C=CC(F)=CC2=CC=C1 AT23037 [0,1,0,0,0,0|2,0,0]=3 92 B13R2.5179 NC1=C2C=CC(F)=CC2=CC=C1 F53478 [0,1,0,0,0,0|2,0,0]=3 93 B13R2.5179 NC1=C2C=CC(F)=CC2=CN=C1 K10009 [0,1,0,0,0,0|3,0,0]=4 94 B13R2.5179 NC1=C2C=CC(F)=NC2=CC=C1 E70239 [0,1,0,0,0,0|3,0,0]=4 95 B13R2.5179 NC1=CC=C2C(Br)=CC=CC2=C1 AT10620 [0,1,0,0,0,0|2,0,0]=3 96 B13R2.5179 NC1=CC=C2C(F)=CC=CC2=N1 D71271 [0,1,0,0,0,0|3,0,0]=4 97 B13R2.5179 OC1=CC=C2C(F)=CC=CC2=N1 D71270 [0,1,0,0,0,0|3,0,0]=4 98 B11R1.1 CC1=CC=C(OCC=O)C=C1 H11068 [0,0,1,0,0,0|2,0,1]=4 99 B11R1.182 C=CCC1=C(O)C=CC(Cl)=C1 D73872 [0,0,1,0,0,0|2,0,1]=4 100 B11R2.1 C[C@H]1CNC2=NC=CC=C21 93644 [0,0,0,0,1,0|1,0,2]=4 101 B11R2.1 NC1=CNC2=NC=CN=C12 P19478 [0,0,0,0,1,0|3,0,0]=4 102 B11R2.36 BrC1=CC2=C(C=C1)C=NS2 O11556 [0,0,0,0,1,0|3,0,0]=4 103 B11R2.36 BrC1=NC2=C(C=C1)OC=C2 C72402 [0,0,0,0,1,0|3,0,0]=4 104 B11R2.36 CC1=CC2=NC=NN2C=C1 AC6231 [0,0,0,0,1,0|2,0,0]=3 105 B11R2.36 CC1=CC2=NN=CN2C=C1 D74513 [0,0,0,0,1,0|3,0,0]=4 106 B11R2.36 CC1=CN2N=CN=C2C=C1 AC6216 [0,0,0,0,1,0|2,0,0]=3 107 B11R2.36 CC1=NC=C2C=NNC2=C1 AT24664 [0,0,0,0,1,0|3,0,0]=4 108 B11R2.36 ClC1=CN2C=CC=C2N=C1 D76736 [0,0,0,0,1,0|3,0,0]=4 109 B11R2.36 ClC1=CN2N=CC=C2C=C1 AT22590 [0,0,0,0,1,0|3,0,0]=4 110 B11R2.36 FC1=CC2=NC=NN2C=C1 AC4213 [0,0,0,0,1,0|3,0,0]=4 111 B11R2.36 FC1=CN2C=NN=C2C=C1 P10888 [0,0,0,0,1,0|3,0,0]=4 112 B11R2.36 FC1=CN2N=CN=C2C=C1 AC4212 [0,0,0,0,1,0|3,0,0]=4 113 B11R2.36 IC1=CN2C=NN=C2C=C1 D74508 [0,0,0,0,1,0|3,0,0]=4 114 B11R2.36 IC1=CN=C2C=COC2=C1 D74385 [0,0,0,0,1,0|3,0,0]=4 115 B11R2.36 NC1=CC2=C(C=CS2)C=C1 F51265 [0,0,0,0,1,0|2,0,0]=3 116 B11R2.36 NC1=CC2=C(C=CS2)N=C1 H10332 [0,0,0,0,1,0|3,0,0]=4 117 B11R2.36 NC1=CC2=NSC=C2C=C1 AC2202 [0,0,0,0,1,0|3,0,0]=4 118 B11R2.36 NC1=CN2C=CC=C2N=C1 P20191 [0,0,0,0,1,0|3,0,0]=4 119 B11R2.36 NC1=CN2N=CC=C2C=C1 P18751 [0,0,0,0,1,0|3,0,0]=4 120 B11R2.36 NC1=NC=C2NC=CC2=C1 W15464 [0,0,0,0,1,0|2,0,1]=4 121 B11R2.36 OC1=CN2N=CC=C2C=C1 90217 [0,0,0,0,1,0|3,0,0]=4 122 B11R2.36 OC1=NC=C2C=CNC2=C1 I11287 [0,0,0,0,1,0|3,0,0]=4 123 B11R2.36 [2H]C1=CC2=C(C=C1)SC=C2 AC4021 [0,0,0,0,1,0|2,0,0]=3 124 B10R1.20 C=CC1=C(C=C)C=CC=C1 A11741 [1,0,1,0,0,0|1,0,0]=3 125 B10R1.20 C=CC1=C(CO)C=CC=C1 S11028 [1,0,1,0,0,0|2,0,0]=4 126 B10R1.20 CCC1=CC=CN=C1C=O AT24573 [1,0,1,0,0,0|1,0,1]=4 127 B10R1.30 C=CC1=C(F)C=CC(O)=C1 AC8373 [1,0,1,0,0,0|2,0,0]=4 128 B12R2.1081 BrC1=CC=NC2=NC=CN=C12 C91542 [1,1,0,0,0,0|2,0,0]=4 129 B12R2.1081 BrC1=CN=CC2=CC=CC=C12 12214 [1,1,0,0,0,0|2,0,0]=4 130 B12R2.1081 ClC1=NC=CC2=NN=CC=C12 AT16270 [1,1,0,0,0,0|2,0,0]=4 131 B12R2.1081 ClC1=NN=CC2=NC=CC=C12 84402 [1,1,0,0,0,0|2,0,0]=4 132 B12R2.1081 O=C1NC=CC2=C1C=CN=N2 F52254 [1,1,0,0,0,0|2,0,0]=4 133 B12R2.1081 [2H]C1=C2C=CC=NC2=CC=C1 AC4555 [1,1,0,0,0,0|0,0,0]=2 134 B12R2.1081 [2H]C1=C2N=CC=CC2=CC=C1 AC4558 [1,1,0,0,0,0|0,0,0]=2 135 B12R2.1081 [2H]C1=CC=NC2=CC=CC=C12 AC4554 [1,1,0,0,0,0|0,0,0]=2 136 B12R2.1 CON1C=CC2=C1C=CC=C2 D76676 [0,1,0,0,1,0|2,0,0]=4 137 B12R2.1 NCC1=CNC2=NC=NC=C12 P11637 [0,1,0,0,1,0|2,0,0]=4 138 B12R2.18 [2H]C1=CC2=C(C=CC=C2)N1C AC6975 [0,1,0,0,1,0|2,0,0]=4 139 B12R2.132 CC1=CNC2=C1C=C(N)C=C2 AT22652 [0,1,0,0,1,0|2,0,0]=4 140 B12R2.132 NC1=CC2=C(N=C1)NC=C2F P12864 [0,1,0,0,1,0|2,0,0]=4 141 B12R2.132 NC1=CNC2=NC=C(Br)C=C12 51731 [0,1,0,0,1,0|2,0,0]=4 142 B12R2.132 [2H]C1=CC2=C(C=C1)C=CN2C AC5657 [0,1,0,0,1,0|2,0,0]=4 143 B12R2.196 [2H]C1=CC=CC2=C1C=CN2C AC5544 [0,1,0,0,1,0|2,0,0]=4 144 B12R2.203 CC1=NNC2=NC=CC(I)=C12 AT16506 [0,1,0,0,1,0|2,0,0]=4 145 B12R2.203 CC1=NNC2=NC=CC(N)=C12 P15014 [0,1,0,0,1,0|2,0,0]=4 146 B12R2.203 NC1=CNC2=NC=CC(F)=C12 AT25312 [0,1,0,0,1,0|2,0,0]=4 147 B12R2.203 [2H]C1=C2C(=CC=C1)C=CN2C AC5545 [0,1,0,0,1,0|2,0,0]=4 148 B12R2.612 CC1=CNC2=C1C=NC(N)=N2 P14406 [0,1,0,0,1,0|2,0,0]=4 149 B12R2.612 NC1=CNC2=C1C=CC(F)=N2 AT25313 [0,1,0,0,1,0|2,0,0]=4 150 B12R2.612 [2H]C1=CC2=C(C=C1)N(C)C=C2 AC4998 [0,1,0,0,1,0|2,0,0]=4 151 B12R2.32 N#CC1=CC2=C(C=CC=N2)N1 74484 [0,1,0,0,1,0|1,0,1]=4 152 B12R2.32 N#CC1=CC2=CC=CN=C2O1 AT21740 [0,1,0,0,1,0|1,0,1]=4 153 B12R2.32 NCC1=CC2=CC=CN=C2N1 D74741 [0,1,0,0,1,0|1,0,0]=3 154 B12R2.32 NCC1=CC2=CN=CN=C2N1 P14465 [0,1,0,0,1,0|2,0,0]=4 155 B12R2.32 NCC1=CC2=NC=CC=C2N1 D74743 [0,1,0,0,1,0|1,0,0]=3 156 B12R2.32 NCC1=NC2=C(C=CC=N2)O1 AC7337 [0,1,0,0,1,0|2,0,0]=4 157 B12R2.32 NCC1=NC2=C(C=CC=N2)O1 AT26927 [0,1,0,0,1,0|2,0,0]=4 158 B12R2.32 O=CC1=CC2=C(N=CC=C2)O1 AT21739 [0,1,0,0,1,0|1,0,1]=4 159 B12R2.32 O=CC1=CN2N=CC=CC2=C1 98463 [0,1,0,0,1,0|1,0,1]=4 160 B12R2.32 OCC1=CN2N=CC=CC2=C1 98462 [0,1,0,0,1,0|1,0,0]=3 161 B12R2.202 CC1=CC2=C(Br)C=CC=C2O1 53815 [0,1,0,0,1,0|2,0,0]=4 162 B12R2.202 CC1=CC2=C(O)C=CN=C2N1 P11524 [0,1,0,0,1,0|1,0,0]=3 163 B12R2.202 CC1=CC2=CC=CC(F)=C2N1 AT16035 [0,1,0,0,1,0|2,0,0]=4 164 B12R2.202 CC1=CN2N=CN=C(Br)C2=C1 D96800 [0,1,0,0,1,0|2,0,0]=4 165 B12R2.202 OC1=CC=NC2=C1C=C(Br)S2 D76158 [0,1,0,0,1,0|2,0,0]=4 166 B12R2.606 CC1=CN2C=CC(Cl)=NC2=N1 P18776 [0,1,0,0,1,0|2,0,0]=4 167 B12R2.44 BrCC1=CC2=C(C=C1)C=NN2 W18990 [0,1,0,0,1,0|2,0,0]=4 168 B12R2.44 CCC1=NC2=C(C=CN2)C=C1 72179 [0,1,0,0,1,0|2,0,0]=4 169 B12R2.44 COC1=CC2=NC=NN2C=C1 AC3381 [0,1,0,0,1,0|2,0,0]=4 170 B12R2.44 COC1=CN2N=CC=C2C=C1 C90961 [0,1,0,0,1,0|2,0,0]=4 171 B12R2.44 COC1=CN2N=CN=C2C=C1 AC4224 [0,1,0,0,1,0|2,0,0]=4 172 B12R2.44 ClCC1=CN2C=NC=C2C=C1 55181 [0,1,0,0,1,0|2,0,0]=4 173 B12R2.44 ClCC1=CN=C2OC=CC2=C1 AT21738 [0,1,0,0,1,0|2,0,0]=4 174 B12R2.44 NCC1=CC2=C(C=C1)N=CN2 D77009 [0,1,0,0,1,0|1,0,0]=3 175 B12R2.44 NCC1=CC2=C(C=C1)N=CS2 C11426 [0,1,0,0,1,0|1,0,0]=3 176 B12R2.44 NCC1=CC2=C(C=CO2)C=C1 AT26015 [0,1,0,0,1,0|1,0,0]=3 177 B12R2.44 NCC1=CC2=C(C=CO2)C=C1 F20182 [0,1,0,0,1,0|1,0,0]=3 178 B12R2.44 NCC1=CC2=NC=CN2C=C1 D74383 [0,1,0,0,1,0|2,0,0]=4 179 B12R2.44 NCC1=CN2N=CN=C2C=C1 83302 [0,1,0,0,1,0|2,0,0]=4 180 B12R2.44 OCC1=CN2N=CN=C2C=C1 AT24352 [0,1,0,0,1,0|2,0,0]=4 181 B12R2.44 OCC1=CN=C2OC=CC2=C1 98456 [0,1,0,0,1,0|2,0,0]=4 182 B12R2.44 OCC1=NC2=C(C=C1)SC=C2 70933 [0,1,0,0,1,0|2,0,0]=4 183 B12R2.44 OCC1=NC2=CC=NN2C=C1 D74431 [0,1,0,0,1,0|2,0,0]=4 184 B12R2.82 CC1=C(Br)C2=C(C=CN2)C=C1 D77036 [0,1,0,0,1,0|1,0,0]=3 185 B12R2.82 CC1=C(Br)C2=C(C=N1)NC=C2 88943 [0,1,0,0,1,0|1,0,1]=4 186 B12R2.82 CC1=C(Br)N2C=CN=C2C=N1 AT25414 [0,1,0,0,1,0|2,0,0]=4 187 B12R2.82 CC1=C(O)C2=C(C=C1)C=NN2 P13994 [0,1,0,0,1,0|2,0,0]=4 188 B12R2.82 FC1=C(Br)C2=C(C=CN2)C=C1 78970 [0,1,0,0,1,0|2,0,0]=4 189 B12R2.82 FC1=C(Br)C=CC2=C1OC=C2 AC4215 [0,1,0,0,1,0|2,0,0]=4 190 B12R2.82 FC1=C(Br)N2C=CN=C2C=C1 88949 [0,1,0,0,1,0|2,0,0]=4 191 B12R2.100 NC1=CC2=CC=NN2C=C1Cl AT13943 [0,1,0,0,1,0|2,0,0]=4 192 B12R2.100 OC1=C(Br)C=C2C=CNC2=C1 53493 [0,1,0,0,1,0|1,0,1]=4 193 B12R2.100 OC1=C(Br)C=C2NC=CC2=C1 P11882 [0,1,0,0,1,0|1,0,1]=4 194 B12R2.100 OC1=CN2C=CN=C2C=C1Cl AT18002 [0,1,0,0,1,0|2,0,0]=4 195 B12R2.246 CC1=CC(Cl)=C2C=CSC2=N1 F13702 [0,1,0,0,1,0|2,0,0]=4 196 B12R2.246 CC1=CC(I)=C2C=CNC2=N1 I10878 [0,1,0,0,1,0|2,0,0]=4 197 B12R2.246 CC1=CC(N)=CC2=C1C=CN2 F13729 [0,1,0,0,1,0|2,0,0]=4 198 B12R2.246 CC1=CC2=NC=CN2C(Br)=C1 88944 [0,1,0,0,1,0|2,0,0]=4 199 B12R2.246 CC1=CC2=NC=NN2C(C)=C1 AC4881 [0,1,0,0,1,0|2,0,0]=4 200 B14R2.92 COC1=C(Cl)C2=CC=NC=C2C=C1 E70450 [0,2,0,0,0,0|2,0,0]=4 201 B14R2.92 N#CC1=C(Cl)C2=CC=CN=C2N=C1 37593 [0,2,0,0,0,0|1,0,1]=4 202 B14R2.92 [2H]C1=C(OC)C=CC2=CC=CC=C21 AC6595 [0,2,0,0,0,0|1,0,0]=3 203 B14R2.4513 CC1=CC2=C(C=C1)N=NN(O)C2=O D74474 [0,2,0,0,0,0|2,0,0]=4 204 B14R2.4513 CC1=CN=C2C=CC(Br)=CN2C1=O C91165 [0,2,0,0,0,0|2,0,0]=4 205 B14R2.4513 ClC1=CN=C2C=CC(Br)=NC2=C1Cl AT22933 [0,2,0,0,0,0|2,0,0]=4 206 B14R2.4513 ClC1=CN=C2N=CC(Br)=CC2=C1Cl 57897 [0,2,0,0,0,0|2,0,0]=4 207 B14R2.4513 ClC1=NN=C2C=CC(Br)=CC2=C1Cl AT10251 [0,2,0,0,0,0|2,0,0]=4 208 B14R2.4513 NC1=COC2=C(C=C(F)C=C2)C1=O AT24394 [0,2,0,0,0,0|2,0,0]=4 209 B14R2.4513 O=C1C(Cl)=CN=C2C=CC(Br)=CN12 C91163 [0,2,0,0,0,0|2,0,0]=4 210 B14R2.4513 OC1=C(Br)N=NC2=CC=C(Br)C=C21 AT10252 [0,2,0,0,0,0|2,0,0]=4 211 B14R2.7724 OC1=C(F)C2=CC=CN=C2C(Br)=C1 D87174 [0,2,0,0,0,0|1,0,0]=3 212 B14R2.7724 OC1=CC(O)=C(O)C2=CC=CC=C12 D75498 [0,2,0,0,0,0|2,0,0]=4 213 B14R2.8038 CC1=C(I)C2=CC=NC(Cl)=C2C=C1 AT16425 [0,2,0,0,0,0|2,0,0]=4 214 B14R2.8038 NC1=C2C=CC=C(Br)C2=CC=C1F AT23043 [0,2,0,0,0,0|2,0,0]=4 215 B14R2.8188 CC1=C(C)C2=NC=CN=C2C=C1O AC8849 [0,2,0,0,0,0|1,0,0]=3 216 B14R2.8188 CC1=C(Cl)C2=CC=CC=C2N=C1Br D76764 [0,2,0,0,0,0|2,0,0]=4 217 B14R2.28523 O=C1NC=NC2=CC=C(O)C(F)=C12 AT25512 [0,2,0,0,0,0|2,0,0]=4 218 B14R2.29369 NC1=NC=C2C(=N1)C=CC(Cl)=C2F AT24756 [0,2,0,0,0,0|2,0,0]=4 219 B14R2.29369 NC1=NC=C2C(=N1)C=CC(F)=C2F AT24750 [0,2,0,0,0,0|2,0,0]=4 220 B14R2.112 NNCC1=CC2=CC=CC=C2C=C1 AC8529 [0,2,0,0,0,0|1,0,0]=3 221 B14R2.134 CC1=CC=C2C=CC(C#N)=CC2=C1 AC9023 [0,2,0,0,0,0|1,0,0]=3 222 B14R2.134 CC1=CC=C2C=CC(CBr)=CC2=C1 91802 [0,2,0,0,0,0|1,0,0]=3 223 B14R2.134 CC1=CC=C2C=CC(CO)=CC2=C1 91804 [0,2,0,0,0,0|1,0,0]=3 224 B14R2.134 COC1=CN=C2N=CC(Br)=CC2=C1 K10181 [0,2,0,0,0,0|1,0,0]=3 225 B14R2.134 COC1=NC=C2C=CC(Br)=CC2=C1 C90746 [0,2,0,0,0,0|2,0,0]=4 226 B14R2.134 N#CC1=CC=C2N=CC(Cl)=CC2=C1 K10168 [0,2,0,0,0,0|0,0,1]=3 227 B14R2.134 N#CC1=CC=C2N=CC(F)=CC2=C1 K10167 [0,2,0,0,0,0|0,0,1]=3 228 B14R2.134 O=CC1=CN=C2C=CC(F)=CC2=C1 D71264 [0,2,0,0,0,0|1,0,0]=3 229 B14R2.142 COC1=CC2=C(N)C=NC=C2C=C1 D71279 [0,2,0,0,0,0|2,0,0]=4 230 B14R2.142 COC1=CC=C2C=CN=C(Br)C2=C1 K10182 [0,2,0,0,0,0|2,0,0]=4 231 B14R2.142 COC1=CC=C2C=NC=C(Br)C2=C1 D71267 [0,2,0,0,0,0|2,0,0]=4 232 B14R2.142 ClC1=C2C=C(CBr)C=CC2=NC=C1 C90400 [0,2,0,0,0,0|0,0,0]=2 233 B14R2.142 OCC1=CC=C2C=NC=C(Br)C2=C1 97675 [0,2,0,0,0,0|2,0,0]=4 234 B14R2.781 O=C(O)C1=CC2=CC=NN=C2C=C1 F30688 [0,2,0,0,0,0|1,0,1]=4 235 B14R2.1019 COC1=CC2=CC=CC=C2C(C)=C1 AT25260 [0,2,0,0,0,0|1,0,0]=3 236 B14R2.1019 COC1=CC2=CC=CC=C2C(N)=C1 N11771 [0,2,0,0,0,0|1,0,0]=3 237 B14R2.1019 COC1=CC2=NC=CC=C2C(N)=C1 K10202 [0,2,0,0,0,0|2,0,0]=4 238 B14R2.1128 CC1=CC2=CC=CC=C2C=C1CBr AT24776 [0,2,0,0,0,0|1,0,0]=3 239 B14R2.1128 COC1=CC2=CN=CC=C2C=C1Br 97592 [0,2,0,0,0,0|2,0,0]=4 240 B14R2.1801 COC1=CC=C2C(Br)=CC=CC2=C1 AT25629 [0,2,0,0,0,0|1,0,0]=3 241 B14R2.1801 COC1=CN=C2C(Br)=CC=CC2=C1 K10295 [0,2,0,0,0,0|2,0,0]=4 242 B14R2.1801 NCC1=CC=C2C(=C1)C=CN=C2N D78723 [0,2,0,0,0,0|2,0,0]=4 243 B14R2.1801 NCC1=CC=C2C(=C1)C=CN=C2N P14845 [0,2,0,0,0,0|2,0,0]=4 244 B14R2.1801 NCC1=CN=C2C(F)=CC=CC2=C1 74982 [0,2,0,0,0,0|2,0,0]=4 245 B14R2.2332 CC1=CC=C2C=C(CO)C=CC2=C1 AT10299 [0,2,0,0,0,0|1,0,0]=3 246 B14R2.2332 COC1=CC2=CC=C(N)C=C2N=C1 K10179 [0,2,0,0,0,0|2,0,0]=4 247 B14R2.2332 COC1=NC=C2C=C(Br)C=CC2=N1 D71281 [0,2,0,0,0,0|2,0,0]=4 248 B14R2.2332 O=CC1=NC2=CC=C(O)C=C2C=C1 AT13269 [0,2,0,0,0,0|1,0,0]=3 249 B14R2.2332 [2H]C1=CC=C2C=C(OC)C=CC2=C1 AC6596 [0,2,0,0,0,0|1,0,0]=3 250 B14R2.8239 NC1=NC=C2C=C(F)C(F)=CC2=N1 AT24752 [0,2,0,0,0,0|2,0,0]=4 251 B14R2.8239 OC1=CN=C2C=C(F)C(F)=CC2=C1 73663 [0,2,0,0,0,0|1,0,0]=3 252 B14R2.29365 CC1=CC2=NC(O)=CN=C2C(Br)=C1 C91479 [0,2,0,0,0,0|1,0,0]=3 253 B14R2.29365 ClC1=CC(Cl)=C2N=CC(Br)=CC2=N1 AT22931 [0,2,0,0,0,0|2,0,0]=4 254 B14R2.8045 CC1=CC2=C(N=CNC2=O)C(C)=C1 D74543 [0,2,0,0,0,0|1,0,0]=3 255 B14R2.8235 CC1=CC(=O)C2=C(C=CC(Br)=C2)N1 D75053 [0,2,0,0,0,0|1,0,1]=4 256 B14R2.8235 CC1=CC(=O)C2=C(C=CC(N)=C2)O1 AC8231 [0,2,0,0,0,0|2,0,0]=4 257 B14R2.8235 CC1=CC(Br)=C2NC(=O)C=CC2=C1 D73423 [0,2,0,0,0,0|0,0,1]=3 258 B14R2.8235 CC1=CC(Br)=CC2=CN=C(Cl)N=C12 AT22975 [0,2,0,0,0,0|2,0,0]=4 259 B14R2.8235 CC1=CC=C2N=C(Cl)C=C(C)C2=C1 D76841 [0,2,0,0,0,0|0,0,0]=2 260 B14R2.8235 CC1=NC(N)=C2N=C(Cl)C=CC2=N1 AT25456 [0,2,0,0,0,0|2,0,0]=4 261 B14R2.8235 NC1=NC2=C(C=C(Cl)C=C2)C(=O)N1 AT14912 [0,2,0,0,0,0|2,0,0]=4 262 B14R2.8235 NC1=NC2=C(C=C(F)C=C2)C(=O)N1 AT14910 [0,2,0,0,0,0|2,0,0]=4 263 B14R2.8235 O=C1C=C(Cl)N=C2C=CC(F)=CN12 96005 [0,2,0,0,0,0|2,0,0]=4 264 B14R2.8235 O=C1C=C(Cl)N=C2C=CC(I)=CN12 96004 [0,2,0,0,0,0|2,0,0]=4 265 B14R2.8235 OC1=CC=C2N=C(Cl)N=C(Cl)C2=C1 P12333 [0,2,0,0,0,0|2,0,0]=4 266 B14R2.11684 CC1=CC=C2C=CN=C(CO)C2=C1 F30686 [0,2,0,0,0,0|2,0,0]=4 267 B14R2.11684 COC1=C2C=C(F)C=CC2=CC=C1 N14587 [0,2,0,0,0,0|2,0,0]=4 268 B14R2.11684 N#CC1=C2C=C(Cl)C=CC2=CC=C1 AT25638 [0,2,0,0,0,0|2,0,0]=4 269 B14R2.11684 N#CC1=C2C=C(I)C=CC2=NC=C1 AT13883 [0,2,0,0,0,0|1,0,0]=3 270 B14R2.11684 O=CC1=CC=NC2=CC=C(O)C=C12 22960 [0,2,0,0,0,0|1,0,0]=3 271 B14R2.28472 CC1=C(N)C=C2C=CC=C(F)C2=N1 W11421 [0,2,0,0,0,0|2,0,0]=4 272 B14R2.28472 CC1=CC2=CC=CC(Br)=C2NC1=O D73563 [0,2,0,0,0,0|2,0,0]=4 273 B14R2.28472 ClC1=CC2=NC=NC(Cl)=C2C=C1I AT26724 [0,2,0,0,0,0|2,0,0]=4 274 B14R2.28472 FC1=CC2=NC=CC(Cl)=C2N=C1Br 57891 [0,2,0,0,0,0|2,0,0]=4 275 B14R2.28472 OC1=C2C=C(F)C(Br)=CC2=NC=C1 54721 [0,2,0,0,0,0|1,0,0]=3 276 B14R2.1146 C#CC1=NC(C)=CC2=CC=CN=C21 C91929 [0,2,0,0,0,0|1,0,0]=3 277 B14R2.1146 CC1=CC2=CC=CN=C2C(C#N)=N1 AT15923 [0,2,0,0,0,0|1,0,0]=3 278 B14R2.1146 COC1=CC(Br)=CC2=CC=CC=C21 AC6256 [0,2,0,0,0,0|2,0,0]=4 279 B14R2.1146 N#CC1=CC(F)=CC2=CC=CC=C12 74634 [0,2,0,0,0,0|2,0,0]=4 280 B14R2.1073 CC1=CC=C2C(C=O)=CC=CC2=N1 O10839 [0,2,0,0,0,0|2,0,0]=4 281 B14R2.1073 CC1=NC=C2C(=C1)C=CC=C2CO D80094 [0,2,0,0,0,0|2,0,0]=4 282 B14R2.1073 O=CC1=C2C=CC(Br)=CC2=CC=C1 AT11632 [0,2,0,0,0,0|2,0,0]=4 283 B14R2.4640 CC1=CC2=C(C=C1)C(C)(C)CC=C2 C74559 [0,2,0,0,0,0|1,0,1]=4 284 B10R2.7 C1=CC2=C(C=C1)[Se]C=C2 AC9469 [1,0,0,0,1,0|1,0,0]=3 285 B10R2.7 C1=CC2=C(C=N1)OC=C2 C73709 [1,0,0,0,1,0|2,0,0]=4