0 B11R1.16 CCCC(=O)C1=CN=CC=C1 N12405 [0,0,0,0,0,0|2,0,0]=2 1 B11R1.16 CCCC(=O)C1=NC=CC=C1 55420 [0,0,0,0,0,0|2,0,0]=2 2 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 Y10270 [0,0,0,0,0,0|2,0,1]=3 3 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 Y11637 [0,0,0,0,0,0|2,0,1]=3 4 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 Y11944 [0,0,0,0,0,0|2,0,1]=3 5 B11R1.16 CCC[C@H](N)C1=CC=NC=C1 31766 [0,0,0,0,0,0|3,0,1]=4 6 B11R1.16 CCC[C@H](N)C1=CC=NC=C1 Y11462 [0,0,0,0,0,0|3,0,1]=4 7 B11R1.16 CCOC(=O)C1=CCNCC1 W10892 [0,0,0,0,0,0|1,0,3]=4 8 B11R1.16 CCOC(=O)C1=CNCCS1 D85953 [0,0,0,0,0,0|2,0,2]=4 9 B11R1.16 CCOC(=O)C1=NN=CC=N1 67096 [0,0,0,0,0,0|3,0,0]=3 10 B11R1.16 COC[C@H](N)C1=CC=CC=C1 N12553 [0,0,0,0,0,0|3,0,1]=4 11 B11R1.16 CONC(=O)C1=CC=CC=C1 W17974 [0,0,0,0,0,0|2,0,0]=2 12 B11R1.16 C[C@@H](CCN)C1=CC=CC=C1 AC6042 [0,0,0,0,0,0|3,0,1]=4 13 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 65208 [0,0,0,0,0,0|3,0,1]=4 14 B11R1.16 O=C(CCO)C1=CC=CC=C1 A11168 [0,0,0,0,0,0|2,0,0]=2 15 B10R1.15 C=C(CBr)C1=CC=CC=C1 35089 [1,0,0,0,0,0|2,0,0]=3 16 B10R1.15 C=C(CC)C1=CC=CC=C1 C73845 [1,0,0,0,0,0|1,0,0]=2 17 B10R1.15 C=CC(=O)C1=CC=CC=C1 77875 [1,0,0,0,0,0|0,0,2]=3 18 B10R1.15 CCC(=O)C1=NC=CN=C1 P11366 [1,0,0,0,0,0|2,0,0]=3 19 B10R1.15 CCN(C)C1=CC=CC=C1 S10715 [1,0,0,0,0,0|2,0,0]=3 20 B10R1.15 CC[C@H](Br)C1=CC=CC=C1 A11640 [1,0,0,0,0,0|1,0,1]=3 21 B10R1.15 CC[C@H](N)C1=CC=CN=C1 31586 [1,0,0,0,0,0|2,0,1]=4 22 B10R1.15 CC[C@H](N)C1=CC=CN=C1 74009 [1,0,0,0,0,0|2,0,1]=4 23 B10R1.15 CC[C@H](N)C1=CC=NC=C1 31287 [1,0,0,0,0,0|2,0,1]=4 24 B10R1.15 CC[C@H](N)C1=CC=NC=C1 74015 [1,0,0,0,0,0|2,0,1]=4 25 B10R1.15 CC[C@H](N)C1=CC=NC=C1 74017 [1,0,0,0,0,0|2,0,1]=4 26 B10R1.15 CC[C@H](N)C1=CC=NC=C1 D81379 [1,0,0,0,0,0|2,0,1]=4 27 B10R1.15 CC[C@H](N)C1=NC=CC=C1 F16910 [1,0,0,0,0,0|2,0,1]=4 28 B10R1.15 CC[C@H](N)C1=NC=CC=C1 I11245 [1,0,0,0,0,0|2,0,1]=4 29 B10R1.15 CC[C@H](N)C1=NC=CC=C1 N10610 [1,0,0,0,0,0|2,0,1]=4 30 B10R1.15 CC[C@H](N)C1=NC=CC=C1 Y11176 [1,0,0,0,0,0|2,0,1]=4 31 B10R1.15 CC[C@H](N)C1=NC=CC=C1 Y11466 [1,0,0,0,0,0|2,0,1]=4 32 B10R1.15 CC[C@H](N)C1=NC=CC=C1 Y12115 [1,0,0,0,0,0|2,0,1]=4 33 B10R1.15 CC[C@H](O)C1=CC=CC=C1 T71858 [1,0,0,0,0,0|0,0,2]=3 34 B10R1.15 CC[C@H](O)C1=CC=CC=C1 T72707 [1,0,0,0,0,0|0,0,2]=3 35 B10R1.15 COC(=O)C1=CN=NC=C1 23653 [1,0,0,0,0,0|2,0,0]=3 36 B10R1.15 F[C@@H](CBr)C1=CC=CC=C1 32835 [1,0,0,0,0,0|2,0,1]=4 37 B10R1.15 N=C(NN)C1=CC=CC=C1 D97377 [1,0,0,0,0,0|3,0,0]=4 38 B10R1.15 NC[C@H](N)C1=CC=CC=C1 N12631 [1,0,0,0,0,0|2,0,1]=4 39 B10R1.15 NNC(=S)C1=CC=CC=C1 W10972 [1,0,0,0,0,0|2,1,0]=4 40 B10R1.15 O=C(CBr)C1=CN=CC=C1 D82267 [1,0,0,0,0,0|2,0,0]=3 41 B10R1.15 O=C(CBr)C1=NC=CC=N1 P17109 [1,0,0,0,0,0|3,0,0]=4 42 B10R1.15 O=C(CBr)C1=NC=CN=C1 FD7249 [1,0,0,0,0,0|3,0,0]=4 43 B10R1.15 O=C(CO)C1=NC=CC=C1 AC7454 [1,0,0,0,0,0|2,0,0]=3 44 B10R1.15 O=C(NO)C1=CN=CC=C1 F17466 [1,0,0,0,0,0|3,0,0]=4 45 B10R1.15 O[C@@H](CF)C1=CC=CC=C1 C91661 [1,0,0,0,0,0|1,0,2]=4 46 B10R1.17 C=C\C=C\C1=CC=CC=C1 54349 [1,0,0,0,0,0|1,0,2]=4 47 B10R1.17 CCCCC1=CC=NC=C1 BL000376 [1,0,0,0,0,0|2,0,1]=4 48 B10R1.17 CCCOC1=CC=CC=C1 C75927 [1,0,0,0,0,0|2,0,0]=3 49 B10R1.17 CCNCC1=CC=CC=C1 D77748 [1,0,0,0,0,0|1,0,1]=3 50 B10R1.17 CNNCC1=CC=CC=C1 30192 [1,0,0,0,0,0|2,0,1]=4 51 B10R1.17 ICCCC1=CC=CC=C1 AC6098 [1,0,0,0,0,0|2,0,1]=4 52 B10R1.17 NCC#CC1=CC=CC=C1 AB10164 [1,0,0,0,0,0|2,0,1]=4 53 B10R1.17 OC\C=C\C1=NC=CC=C1 AC7737 [1,0,0,0,0,0|3,0,0]=4 54 B12R1.16 C=C(OCC)C1=NN=C(Cl)C=C1 W11191 [0,1,0,0,0,0|3,0,0]=4 55 B12R1.16 CC1=CC=C(C(=O)CCCl)C=C1 D77805 [0,1,0,0,0,0|2,0,0]=3 56 B12R1.16 CCCC(=O)C1=CC=C(C)C=C1 N13972 [0,1,0,0,0,0|1,0,0]=2 57 B12R1.16 CCCC(=O)C1=CN=C(Cl)C=C1 N14275 [0,1,0,0,0,0|2,0,0]=3 58 B12R1.16 CCC[C@H](N)C1=CC=C(C)C=C1 Y11987 [0,1,0,0,0,0|2,0,1]=4 59 B12R1.16 CCC[C@H](N)C1=CC=C(C)C=C1 Y14024 [0,1,0,0,0,0|2,0,1]=4 60 B12R1.16 CCC[C@H](N)C1=CC=C(F)C=C1 Y10286 [0,1,0,0,0,0|2,0,1]=4 61 B12R1.16 CCOC(=O)C1=CC=C(I)C=C1 D77688 [0,1,0,0,0,0|0,0,0]=1 62 B12R1.16 CCOC(=O)C1=CC=[N+]([O-])C=C1 AB21610 [0,1,0,0,0,0|1,0,0]=2 63 B12R1.16 CCOC(=O)C1=CN=C(Cl)C=N1 RB3338 [0,1,0,0,0,0|2,0,0]=3 64 B12R1.16 CCOC(=O)C1=CN=C(F)C=C1 88966 [0,1,0,0,0,0|1,0,0]=2 65 B12R1.16 CCOC(=O)C1=NC=C(Cl)C=C1 C72155 [0,1,0,0,0,0|1,0,0]=2 66 B12R1.16 CCOC(=O)C1=NC=C(F)C=N1 P17719 [0,1,0,0,0,0|2,0,0]=3 67 B12R1.16 CCOC(=O)C1=NC=C(N)C=C1 D86980 [0,1,0,0,0,0|1,0,0]=2 68 B12R1.16 CCOC(=O)C1=NN=C(Cl)C=C1 26720 [0,1,0,0,0,0|2,0,0]=3 69 B12R1.16 CCOC(=O)C1=NN=C(S)C=C1 D80571 [0,1,0,0,0,0|2,0,0]=3 70 B12R1.17 CCCC(=O)C1=CC=CC(Br)=C1 N13963 [0,1,0,0,0,0|1,0,0]=2 71 B12R1.17 CCOC(=O)C1=CC(=O)C=CO1 C72931 [0,1,0,0,0,0|1,0,0]=2 72 B12R1.17 CCOC(=O)C1=CC(=O)NC=C1 72628 [0,1,0,0,0,0|1,0,0]=2 73 B12R1.17 CCOC(=O)C1=CC(C)=CC=C1 S12346 [0,1,0,0,0,0|0,0,0]=1 74 B12R1.17 CCOC(=O)C1=CC(C)=NC=C1 90616 [0,1,0,0,0,0|1,0,0]=2 75 B12R1.17 CCOC(=O)C1=CC(F)=NC=C1 91499 [0,1,0,0,0,0|1,0,0]=2 76 B12R1.17 CCOC(=O)C1=CC=NC(Br)=N1 C71724 [0,1,0,0,0,0|2,0,0]=3 77 B12R1.17 CCOC(=O)C1=CN=CC(Cl)=N1 90138 [0,1,0,0,0,0|2,0,0]=3 78 B12R1.17 CCOC(=O)C1=NC(C)=CC=C1 D84508 [0,1,0,0,0,0|1,0,0]=2 79 B12R1.17 CCOC(=O)C1=NC(N)=NC=C1 F11923 [0,1,0,0,0,0|2,0,0]=3 80 B12R1.17 CCOC(=O)C1=NC=CC(F)=C1 AB10269 [0,1,0,0,0,0|1,0,0]=2 81 B12R1.30 C#CCNC(=O)C1=CN=CC=C1 W16031 [0,1,0,0,0,0|2,0,1]=4 82 B12R1.30 C#CCOC(=O)C1=CC=CC=C1 D76871 [0,1,0,0,0,0|0,0,1]=2 83 B12R1.30 N#CCCC(=O)C1=CC=CC=C1 T71019 [0,1,0,0,0,0|1,0,1]=3 84 B12R1.30 NCCNC(=O)C1=CC=CC=C1 F20112 [0,1,0,0,0,0|1,0,0]=2 85 B12R1.30 N[C@@H](CCCO)C1=CC=CC=C1 N10728 [0,1,0,0,0,0|2,0,1]=4 86 B12R1.30 N[C@@H](CCCO)C1=CC=CC=C1 N12911 [0,1,0,0,0,0|2,0,1]=4 87 B12R1.30 O=C(CCCO)C1=CN=CC=C1 W11994 [0,1,0,0,0,0|2,0,0]=3 88 B12R1.30 O=C(NCCBr)C1=NC=CC=C1 W10393 [0,1,0,0,0,0|2,0,0]=3 89 B12R1.30 O=C(NCCO)C1=NC=CN=C1 W16086 [0,1,0,0,0,0|3,0,0]=4 90 B12R1.30 O=CNCC(=O)C1=CC=CC=C1 C76338 [0,1,0,0,0,0|2,0,1]=4 91 B12R1.34 CCC(C)C(N)C1=CC=CC=C1 FD10503 [0,1,0,0,0,0|2,0,1]=4 92 B12R1.34 CCC(C)[C@H](N)C1=CC=CC=C1 F31005 [0,1,0,0,0,0|2,0,1]=4 93 B12R1.34 CON(C)C(=O)C1=CC=NC=C1 W15433 [0,1,0,0,0,0|3,0,0]=4 94 B12R1.34 CON(C)C(=O)C1=CN=CC=C1 Y10185 [0,1,0,0,0,0|3,0,0]=4 95 B12R1.34 CON(C)C(=O)C1=NC=CC=C1 W15859 [0,1,0,0,0,0|3,0,0]=4 96 B12R1.107 C=C(NC(C)=O)C1=CC=CC=C1 84827 [0,1,0,0,0,0|2,0,1]=4 97 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 20111 [0,1,0,0,0,0|2,0,1]=4 98 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 20113 [0,1,0,0,0,0|2,0,1]=4 99 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 Y11320 [0,1,0,0,0,0|2,0,1]=4 100 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 Y11540 [0,1,0,0,0,0|2,0,1]=4 101 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 Y11782 [0,1,0,0,0,0|2,0,1]=4 102 B12R1.107 O=C([O-])CC(=O)C1=CC=CC=C1 O12077 [0,1,0,0,0,0|2,0,1]=4 103 B12R1.308 CCC[C@H](N)C1=C(C)C=CC=C1 20117 [0,1,0,0,0,0|2,0,1]=4 104 B12R1.308 CCC[C@H](N)C1=C(C)C=CC=C1 20119 [0,1,0,0,0,0|2,0,1]=4 105 B12R1.308 CCC[C@H](N)C1=C(C)C=CC=C1 N13254 [0,1,0,0,0,0|2,0,1]=4 106 B12R1.308 CCOC(=O)C1=C(Br)C=NC=N1 67175 [0,1,0,0,0,0|2,0,0]=3 107 B12R1.308 CCOC(=O)C1=C(C)C=CN=C1 72062 [0,1,0,0,0,0|1,0,0]=2 108 B12R1.308 CCOC(=O)C1=C(C)C=NN=C1 P12076 [0,1,0,0,0,0|2,0,0]=3 109 B12R1.308 CCOC(=O)C1=C(C)N=CN=C1 29844 [0,1,0,0,0,0|2,0,0]=3 110 B12R1.308 CCOC(=O)C1=C(C)N=NC=C1 P11140 [0,1,0,0,0,0|2,0,0]=3 111 B12R1.308 CCOC(=O)C1=C(Cl)C=CC=N1 W18461 [0,1,0,0,0,0|1,0,0]=2 112 B12R1.308 CCOC(=O)C1=C(N)C=CN=C1 A12134 [0,1,0,0,0,0|1,0,0]=2 113 B12R1.308 CCOC(=O)C1=C(N)N=NC=C1 31637 [0,1,0,0,0,0|2,0,0]=3 114 B12R1.308 CCOC(=O)C1=C(O)C=NC=C1 BL009831 [0,1,0,0,0,0|1,0,0]=2 115 B12R1.308 CCOC(=O)C1=CC=CN=C1Br 24958 [0,1,0,0,0,0|1,0,0]=2 116 B12R1.308 CCOC(=O)C1=CN=CN=C1Cl 84692 [0,1,0,0,0,0|2,0,0]=3 117 B12R1.308 CCOC(=O)C1=NC=CC=C1C 30595 [0,1,0,0,0,0|1,0,0]=2 118 B12R1.308 CCOC(=O)C1=NC=CN=C1Cl I10105 [0,1,0,0,0,0|2,0,0]=3 119 B12R1.308 CCOC(=O)C1=NC=CN=C1N 89343 [0,1,0,0,0,0|2,0,0]=3 120 B12R1.308 CONC(=O)C1=C(N)C=CC=C1 W13132 [0,1,0,0,0,0|2,0,0]=3 121 B12R1.308 N#CCC(=O)C1=C(O)C=CC=C1 AC8189 [0,1,0,0,0,0|2,0,1]=4 122 B12R1.308 O=C(CCCl)C1=C(F)C=CC=C1 AC7173 [0,1,0,0,0,0|2,0,0]=3 123 B12R2.2 C1=CC(C2=NCCO2)=CN=C1 C75026 [0,0,0,1,0,0|2,0,0]=3 124 B12R2.2 C1=CC(C2OCCO2)=CN=C1 20730 [0,0,0,1,0,0|1,0,2]=4 125 B12R2.2 C1=CC=C(C2=CC=CO2)C=C1 77950 [0,0,0,1,0,0|1,0,2]=4 126 B12R2.2 C1=CC=C(C2=CC=NO2)C=C1 T71521 [0,0,0,1,0,0|2,0,1]=4 127 B12R2.2 C1=CC=C(C2=NC=CO2)C=C1 36029 [0,0,0,1,0,0|1,0,2]=4 128 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 59896 [0,0,0,1,0,0|2,0,1]=4 129 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 59947 [0,0,0,1,0,0|2,0,1]=4 130 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 N11212 [0,0,0,1,0,0|2,0,1]=4 131 B12R2.2 C1=CN=C(C2=NCCN2)C=C1 O10472 [0,0,0,1,0,0|3,0,0]=4 132 B12R2.2 C1=CN=C(C2=NCCO2)C=C1 D75595 [0,0,0,1,0,0|2,0,0]=3 133 B12R2.2 C1=CN=CC(C2=NCCC2)=C1 F30066 [0,0,0,1,0,0|3,0,0]=4 134 B12R2.1081 O=C1CC=CC2=C1C=CC=C2 F31381 [0,0,0,1,0,0|1,0,2]=4 135 B12R2.1081 O=C1CCCC2=C1C=CN=C2 51824 [0,0,0,1,0,0|2,0,0]=3 136 B12R2.1081 O=C1CCCC2=C1C=CN=C2 Y10029 [0,0,0,1,0,0|2,0,0]=3 137 B12R2.1081 O=C1CCCC2=C1C=NC=C2 60208 [0,0,0,1,0,0|2,0,0]=3 138 B12R2.1081 O=C1CCOC2=CC=CN=C12 50250 [0,0,0,1,0,0|3,0,0]=4 139 B12R2.1081 O=C1CNNC2=C1C=CC=C2 H10992 [0,0,0,1,0,0|3,0,0]=4 140 B12R2.1081 O=C1NCCC2=C1C=CC=N2 78448 [0,0,0,1,0,0|2,0,0]=3 141 B12R2.1081 O=C1NCCC2=C1C=NC=C2 P11596 [0,0,0,1,0,0|2,0,0]=3 142 B12R2.1081 O=C1OC=CC2=C1C=CC=C2 N10038 [0,0,0,1,0,0|0,0,2]=3 143 B12R2.1081 O[C@H]1CCCC2=C1C=CC=C2 T72122 [0,0,0,1,0,0|1,0,2]=4 144 B12R2.1081 O[C@H]1CCCC2=C1C=CC=C2 T72587 [0,0,0,1,0,0|1,0,2]=4 145 B12R2.2028 CN1C=C(Cl)C2=C1C=CC=C2 AB10986 [0,0,0,1,0,0|3,0,0]=4 146 B12R2.2028 CN1N=C(Br)C2=C1C=CC=C2 24258 [0,0,0,1,0,0|3,0,0]=4 147 B12R2.2028 CN1N=C(I)C2=C1C=CC=C2 87996 [0,0,0,1,0,0|3,0,0]=4 148 B12R2.2028 CN1NC(=O)C2=C1C=CC=C2 C71035 [0,0,0,1,0,0|2,0,0]=3 149 B12R2.2028 C[C@@H]1NC(=O)C2=C1C=CC=C2 72362 [0,0,0,1,0,0|1,0,0]=2 150 B12R2.2028 N[C@H]1NC(=O)C2=C1C=CC=C2 Y10046 [0,0,0,1,0,0|2,0,0]=3 151 B12R2.2075 N[C@H](C1=CC=CC=C1)C2CC2 Y10002 [0,0,0,1,0,0|2,0,1]=4 152 B12R2.2075 N[C@H](C1=CC=CC=C1)C2CC2 Y10011 [0,0,0,1,0,0|2,0,1]=4 153 B12R2.2075 N[C@H](C1=CC=CC=C1)C2CC2 Y10344 [0,0,0,1,0,0|2,0,1]=4 154 B12R2.2075 O=C(C1=CC=NC=C1)C2CC2 N14247 [0,0,0,1,0,0|2,0,0]=3 155 B10R1.11 CCOC(=O)C1=CCCC1 71128 [0,0,0,0,1,0|0,0,3]=4 156 B10R1.11 CCOC(=O)C1=CNN=N1 25805 [0,0,0,0,1,0|3,0,0]=4 157 B10R1.11 CCOC(=O)C1=CSN=N1 71070 [0,0,0,0,1,0|3,0,0]=4 158 B10R1.11 CCOC(=O)C1=NC=CS1 24386 [0,0,0,0,1,0|2,0,0]=3 159 B10R1.11 CCOC(=O)C1=NN=CN1 AT21347 [0,0,0,0,1,0|3,0,0]=4 160 B10R1.11 CCOC(=O)C1=NN=CS1 F31215 [0,0,0,0,1,0|3,0,0]=4 161 B10R1.11 CCOC(=O)C1=NOC=N1 71558 [0,0,0,0,1,0|3,0,0]=4 162 B12R1.32 CCOC(=O)CC1=NC=NC=C1 87620 [0,0,0,0,0,1|2,0,0]=3 163 B12R1.32 CCOC(=O)C[N+]1=CC=CC=C1 C73314 [0,0,0,0,0,1|1,0,0]=2 164 B12R1.32 CCOC(=O)NC1=CC=NC=C1 F21286 [0,0,0,0,0,1|1,0,0]=2 165 B12R1.32 COCC(=O)OC1=CC=CC=C1 AC8183 [0,0,0,0,0,1|2,0,0]=3 166 B12R1.32 O=C(CCBr)NC1=CC=CC=C1 W16421 [0,0,0,0,0,1|2,0,0]=3 167 B9R1.6 C=C(C)C1=NC=CC=C1 W17791 [2,0,0,0,0,0|2,0,0]=4 168 B9R1.6 CC(=O)C1=NN=CC=C1 37064 [2,0,0,0,0,0|2,0,0]=4 169 B9R1.6 C[C@H](N)C1=CC=CC=C1 D77753 [2,0,0,0,0,0|1,0,1]=4 170 B9R1.6 C[S@](=O)C1=NC=CC=C1 C74099 [2,0,0,0,0,0|2,0,0]=4 171 B9R1.8 CCNC1=CC=CN=C1 C15578 [2,0,0,0,0,0|2,0,0]=4 172 B9R1.8 N\N=C\C1=CC=CC=C1 D81797 [2,0,0,0,0,0|2,0,0]=4 173 B9R1.8 O\N=C/C1=CC=CC=C1 N10040 [2,0,0,0,0,0|2,0,0]=4 174 B11R1.22 C#CC(=O)C1=CC=C(F)C=C1 W16135 [1,1,0,0,0,0|0,0,2]=4 175 B11R1.22 C=CC(=O)C1=CC=C(F)C=C1 AB9399 [1,1,0,0,0,0|0,0,2]=4 176 B11R1.22 CC1=CC=C(C(=O)CCl)C=C1 D93745 [1,1,0,0,0,0|1,0,0]=3 177 B11R1.22 CCC(=O)C1=CN=C(Cl)C=C1 F13171 [1,1,0,0,0,0|1,0,0]=3 178 B11R1.22 CCC(=O)C1=NC=C(Br)C=C1 N14256 [1,1,0,0,0,0|1,0,0]=3 179 B11R1.22 CCC(=O)C1=NC=C(Cl)C=C1 D81575 [1,1,0,0,0,0|1,0,0]=3 180 B11R1.22 CC[C@H](N)C1=CC=C(Br)C=C1 F16933 [1,1,0,0,0,0|1,0,1]=4 181 B11R1.22 CC[C@H](N)C1=CC=C(Br)C=C1 N10949 [1,1,0,0,0,0|1,0,1]=4 182 B11R1.22 CC[C@H](N)C1=CC=C(Br)C=C1 N10950 [1,1,0,0,0,0|1,0,1]=4 183 B11R1.22 CC[C@H](N)C1=CC=C(Br)C=C1 N12584 [1,1,0,0,0,0|1,0,1]=4 184 B11R1.22 CC[C@H](N)C1=CC=C(Br)C=C1 Y10817 [1,1,0,0,0,0|1,0,1]=4 185 B11R1.22 CC[C@H](N)C1=CC=C(C)C=C1 Y10160 [1,1,0,0,0,0|1,0,1]=4 186 B11R1.22 CC[C@H](N)C1=CC=C(C)C=C1 Y10161 [1,1,0,0,0,0|1,0,1]=4 187 B11R1.22 CC[C@H](N)C1=CC=C(Cl)C=C1 D81275 [1,1,0,0,0,0|1,0,1]=4 188 B11R1.22 CC[C@H](N)C1=CC=C(Cl)C=C1 S11131 [1,1,0,0,0,0|1,0,1]=4 189 B11R1.22 CC[C@H](N)C1=CC=C(Cl)C=C1 Y11768 [1,1,0,0,0,0|1,0,1]=4 190 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 Y10163 [1,1,0,0,0,0|1,0,1]=4 191 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 Y10164 [1,1,0,0,0,0|1,0,1]=4 192 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 Y10653 [1,1,0,0,0,0|1,0,1]=4 193 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 Y11063 [1,1,0,0,0,0|1,0,1]=4 194 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 Y11174 [1,1,0,0,0,0|1,0,1]=4 195 B11R1.22 CC[C@H](N)C1=CC=C(I)C=C1 Y14552 [1,1,0,0,0,0|1,0,1]=4 196 B11R1.22 CC[C@H](N)C1=CC=C(I)C=C1 Y14553 [1,1,0,0,0,0|1,0,1]=4 197 B11R1.22 CC[C@H](N)C1=CC=C(O)C=C1 N12238 [1,1,0,0,0,0|1,0,1]=4 198 B11R1.22 CC[C@H](O)C1=CC=C(Br)C=C1 AB6446 [1,1,0,0,0,0|0,0,2]=4 199 B11R1.22 CNC(=O)C1=CC=C(Cl)C=C1 D83483 [1,1,0,0,0,0|1,0,0]=3 200 B11R1.22 CNC(=O)C1=CC=C(N)C=C1 29238 [1,1,0,0,0,0|1,0,0]=3 201 B11R1.22 COC(=O)C1=CC=C(S)C=C1 W12575 [1,1,0,0,0,0|0,0,0]=2 202 B11R1.22 COC(=O)C1=CNC(=O)N=C1 C75373 [1,1,0,0,0,0|2,0,0]=4 203 B11R1.22 COC(=O)C1=CNC(=O)N=C1 F12628 [1,1,0,0,0,0|2,0,0]=4 204 B11R1.22 COC(=O)C1=NC=C(C)C=N1 37740 [1,1,0,0,0,0|2,0,0]=4 205 B11R1.22 COC(=O)C1=NC=C(Cl)C=N1 72490 [1,1,0,0,0,0|2,0,0]=4 206 B11R1.22 COC(=O)C1=NC=C(F)C=N1 28016 [1,1,0,0,0,0|2,0,0]=4 207 B11R1.22 COC(=O)C1=NC=C(N)C=N1 P13628 [1,1,0,0,0,0|2,0,0]=4 208 B11R1.22 COC(=O)C1=NC=C(O)C=N1 P14075 [1,1,0,0,0,0|2,0,0]=4 209 B11R1.22 COC(=O)C1=NN=C(Br)C=C1 72416 [1,1,0,0,0,0|2,0,0]=4 210 B11R1.22 COC(=O)C1=NN=C(C)C=C1 29806 [1,1,0,0,0,0|2,0,0]=4 211 B11R1.22 COC(=O)C1=NN=C(N)C=C1 30525 [1,1,0,0,0,0|2,0,0]=4 212 B11R1.22 N#CC(=O)C1=CC=C(Br)C=C1 AB1242 [1,1,0,0,0,0|1,0,1]=4 213 B11R1.22 O=C(CBr)C1=CN=C(Br)C=C1 D94486 [1,1,0,0,0,0|2,0,0]=4 214 B11R1.22 O=C(CBr)C1=NC=C(Cl)C=C1 80107 [1,1,0,0,0,0|2,0,0]=4 215 B11R1.22 O=C(CCl)C1=CC=C(O)C=C1 77934 [1,1,0,0,0,0|1,0,0]=3 216 B11R1.22 O=C(CCl)C1=CN=C(Cl)C=C1 83967 [1,1,0,0,0,0|2,0,0]=4 217 B11R1.22 O=C(CCl)C1=NC=C(F)C=C1 AC1560 [1,1,0,0,0,0|2,0,0]=4 218 B11R1.22 O=C(CO)C1=CC=C(I)C=C1 27936 [1,1,0,0,0,0|1,0,0]=3 219 B11R1.23 CC1=CC=CC(C(=O)CBr)=C1 S10680 [1,1,0,0,0,0|1,0,0]=3 220 B11R1.23 CCC(=O)C1=CC(F)=CN=C1 D81551 [1,1,0,0,0,0|1,0,0]=3 221 B11R1.23 CCC(=O)C1=CC=CC(Br)=N1 F50478 [1,1,0,0,0,0|1,0,0]=3 222 B11R1.23 CCC(=O)C1=NC=CC(Cl)=C1 FD10573 [1,1,0,0,0,0|1,0,0]=3 223 B11R1.23 CC[C@H](N)C1=CC(C)=CC=C1 N11059 [1,1,0,0,0,0|1,0,1]=4 224 B11R1.23 CC[C@H](N)C1=CC(C)=CC=C1 N11060 [1,1,0,0,0,0|1,0,1]=4 225 B11R1.23 CC[C@H](N)C1=CC(C)=CC=C1 N13204 [1,1,0,0,0,0|1,0,1]=4 226 B11R1.23 CC[C@H](N)C1=CC(C)=CC=C1 N14300 [1,1,0,0,0,0|1,0,1]=4 227 B11R1.23 CC[C@H](N)C1=CC(C)=CC=C1 Y12439 [1,1,0,0,0,0|1,0,1]=4 228 B11R1.23 CC[C@H](N)C1=CC(C)=CC=C1 Y13349 [1,1,0,0,0,0|1,0,1]=4 229 B11R1.23 CC[C@H](N)C1=CC=CC(Br)=C1 N10470 [1,1,0,0,0,0|1,0,1]=4 230 B11R1.23 CC[C@H](N)C1=CC=CC(Br)=C1 N10952 [1,1,0,0,0,0|1,0,1]=4 231 B11R1.23 CC[C@H](N)C1=CC=CC(Br)=C1 N11195 [1,1,0,0,0,0|1,0,1]=4 232 B11R1.23 CC[C@H](N)C1=CC=CC(Br)=C1 Y10721 [1,1,0,0,0,0|1,0,1]=4 233 B11R1.23 CC[C@H](N)C1=CC=CC(Br)=C1 Y11058 [1,1,0,0,0,0|1,0,1]=4 234 B11R1.23 CC[C@H](N)C1=CC=CC(Cl)=C1 Y10291 [1,1,0,0,0,0|1,0,1]=4 235 B11R1.23 CC[C@H](N)C1=CC=CC(F)=C1 20089 [1,1,0,0,0,0|1,0,1]=4 236 B11R1.23 CC[C@H](N)C1=CC=CC(F)=C1 N10472 [1,1,0,0,0,0|1,0,1]=4 237 B11R1.23 CC[C@H](N)C1=CC=CC(F)=C1 N10473 [1,1,0,0,0,0|1,0,1]=4 238 B11R1.23 CC[C@H](N)C1=CC=CC(F)=C1 Y10473 [1,1,0,0,0,0|1,0,1]=4 239 B11R1.23 CC[C@H](N)C1=CC=CC(F)=C1 Y11089 [1,1,0,0,0,0|1,0,1]=4 240 B11R1.23 CC[C@H](N)C1=CC=CC(O)=C1 Y14524 [1,1,0,0,0,0|1,0,1]=4 241 B11R1.23 CNC(=O)C1=CC(Br)=CN=C1 A12089 [1,1,0,0,0,0|2,0,0]=4 242 B11R1.23 CNC(=O)C1=NC=CC(Br)=C1 D80651 [1,1,0,0,0,0|2,0,0]=4 243 B11R1.23 COC(=O)C1=CC(=O)C=CN1 C77360 [1,1,0,0,0,0|1,0,0]=3 244 B11R1.23 COC(=O)C1=CC(Br)=NC=N1 C71735 [1,1,0,0,0,0|2,0,0]=4 245 B11R1.23 COC(=O)C1=CC(F)=NC=C1 C10485 [1,1,0,0,0,0|1,0,0]=3 246 B11R1.23 COC(=O)C1=CN=CC(Br)=N1 25757 [1,1,0,0,0,0|2,0,0]=4 247 B11R1.23 COC(=O)C1=NC(=O)NC=C1 C77281 [1,1,0,0,0,0|2,0,0]=4 248 B11R1.23 COC(=O)C1=NC(C)=NC=C1 90607 [1,1,0,0,0,0|2,0,0]=4 249 B11R1.23 COC(=O)C1=NC(N)=CC=N1 AT18258 [1,1,0,0,0,0|2,0,0]=4 250 B11R1.23 COC(=O)C1=NC(N)=NC=C1 H10331 [1,1,0,0,0,0|2,0,0]=4 251 B11R1.23 COC(=O)C1=NC=NC(C)=C1 P11578 [1,1,0,0,0,0|2,0,0]=4 252 B11R1.23 COC(=O)C1=NC=NC(N)=C1 39272 [1,1,0,0,0,0|2,0,0]=4 253 B11R1.23 COC(=O)C1=NN=CC(C)=C1 F30429 [1,1,0,0,0,0|2,0,0]=4 254 B11R1.23 O=C(CBr)C1=CC(Cl)=NC=C1 80119 [1,1,0,0,0,0|2,0,0]=4 255 B11R1.23 O=C(CCl)C1=NC=CC(Cl)=C1 78962 [1,1,0,0,0,0|2,0,0]=4 256 B11R1.23 O=C(CO)C1=CC=CC(Cl)=C1 AC6589 [1,1,0,0,0,0|1,0,0]=3 257 B11R1.23 O=CC(=O)C1=CC=CC(Cl)=C1 N16981 [1,1,0,0,0,0|1,0,1]=4 258 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 74050 [1,1,0,0,0,0|1,0,1]=4 259 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 F16904 [1,1,0,0,0,0|1,0,1]=4 260 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 Y11074 [1,1,0,0,0,0|1,0,1]=4 261 B11R1.36 C[C@@H](O)[C@H](N)C1=CC=CC=C1 N16817 [1,1,0,0,0,0|1,0,1]=4 262 B11R1.36 C[C@H](F)C(=O)C1=CC=CC=C1 C10603 [1,1,0,0,0,0|0,0,0]=2 263 B11R1.36 O=C(C1=NC=CC=C1)C(F)F F17975 [1,1,0,0,0,0|2,0,0]=4 264 B11R1.222 CC1=C(C(=O)C#N)C=CC=C1 AB1507 [1,1,0,0,0,0|1,0,1]=4 265 B11R1.222 CCC(=O)C1=C(Br)C=CC=N1 D81028 [1,1,0,0,0,0|1,0,0]=3 266 B11R1.222 CC[C@H](N)C1=C(C)C=CC=C1 20083 [1,1,0,0,0,0|1,0,1]=4 267 B11R1.222 CC[C@H](N)C1=C(C)C=CC=C1 F16885 [1,1,0,0,0,0|1,0,1]=4 268 B11R1.222 CC[C@H](N)C1=C(C)C=CC=C1 N10518 [1,1,0,0,0,0|1,0,1]=4 269 B11R1.222 CC[C@H](N)C1=C(C)C=CC=C1 N10519 [1,1,0,0,0,0|1,0,1]=4 270 B11R1.222 CC[C@H](N)C1=C(C)C=CC=C1 Y10722 [1,1,0,0,0,0|1,0,1]=4 271 B11R1.222 CC[C@H](N)C1=C(Cl)C=CC=C1 Y10294 [1,1,0,0,0,0|1,0,1]=4 272 B11R1.222 CC[C@H](N)C1=C(Cl)C=CC=C1 Y10295 [1,1,0,0,0,0|1,0,1]=4 273 B11R1.222 CC[C@H](N)C1=C(Cl)C=CC=C1 Y10316 [1,1,0,0,0,0|1,0,1]=4 274 B11R1.222 CC[C@H](N)C1=C(Cl)C=CC=C1 Y11207 [1,1,0,0,0,0|1,0,1]=4 275 B11R1.222 CC[C@H](N)C1=C(Cl)C=CC=C1 Y11964 [1,1,0,0,0,0|1,0,1]=4 276 B11R1.222 CC[C@H](N)C1=C(F)C=CC=C1 S10041 [1,1,0,0,0,0|1,0,1]=4 277 B11R1.222 CC[C@H](N)C1=C(F)C=CC=C1 Y10807 [1,1,0,0,0,0|1,0,1]=4 278 B11R1.222 CC[C@H](N)C1=C(O)C=CC=C1 Y14154 [1,1,0,0,0,0|1,0,1]=4 279 B11R1.222 CC[C@H](N)C1=C(O)C=CC=C1 Y14523 [1,1,0,0,0,0|1,0,1]=4 280 B11R1.222 CNC(=O)C1=CNC=CC1=O F11755 [1,1,0,0,0,0|2,0,0]=4 281 B11R1.222 COC(=O)C1=C(Br)C=CN=C1 I11422 [1,1,0,0,0,0|1,0,0]=3 282 B11R1.222 COC(=O)C1=C(Br)C=NC=N1 67174 [1,1,0,0,0,0|2,0,0]=4 283 B11R1.222 COC(=O)C1=C(Cl)C=CN=C1 26180 [1,1,0,0,0,0|1,0,0]=3 284 B11R1.222 COC(=O)C1=C(N)N=CN=C1 26406 [1,1,0,0,0,0|2,0,0]=4 285 B11R1.222 COC(=O)C1=C(N)N=NC=C1 32233 [1,1,0,0,0,0|2,0,0]=4 286 B11R1.222 COC(=O)C1=C(O)C=CN=C1 F30285 [1,1,0,0,0,0|1,0,0]=3 287 B11R1.222 COC(=O)C1=CC=NN=C1Cl AT22445 [1,1,0,0,0,0|2,0,0]=4 288 B11R1.222 COC(=O)C1=CC=NNC1=O P11740 [1,1,0,0,0,0|2,0,0]=4 289 B11R1.222 COC(=O)C1=NC=CN=C1F P16242 [1,1,0,0,0,0|2,0,0]=4 290 B11R1.222 COC(=O)C1=NC=CN=C1I 30615 [1,1,0,0,0,0|2,0,0]=4 291 B11R1.222 COC(=O)C1=NC=NC=C1N P21150 [1,1,0,0,0,0|2,0,0]=4 292 B11R1.222 O=C(CBr)C1=C(Cl)N=CC=C1 F10492 [1,1,0,0,0,0|2,0,0]=4 293 B11R1.222 O=C(CF)C1=C(F)C=CC=C1 75535 [1,1,0,0,0,0|1,0,0]=3 294 B11R1.222 O=C(CO)C1=C(Cl)C=CC=C1 AC1212 [1,1,0,0,0,0|1,0,0]=3 295 B11R1.1 CCNCC1=CC=C(C)C=C1 78307 [1,1,0,0,0,0|1,0,1]=4 296 B11R1.1 CCNCC1=CC=C(N)C=C1 AC1810 [1,1,0,0,0,0|1,0,1]=4 297 B11R1.1 CCNCC1=CC=C(O)C=C1 31967 [1,1,0,0,0,0|1,0,1]=4 298 B11R1.1 CCOCC1=CC=C(Br)C=C1 W19177 [1,1,0,0,0,0|0,0,1]=3 299 B11R1.1 CCOCC1=CC=C(O)C=C1 27758 [1,1,0,0,0,0|0,0,1]=3 300 B11R1.1 CCOCC1=CN=C(Cl)C=C1 D73333 [1,1,0,0,0,0|1,0,1]=4 301 B11R1.1 OC\C=C\C1=CC=C(O)C=C1 A11786 [1,1,0,0,0,0|2,0,0]=4 302 B11R1.17 CCNCC1=C(O)C=CC=C1 AC1355 [1,1,0,0,0,0|1,0,1]=4 303 B11R1.24 CCCCC1=CC=CC(F)=C1 36944 [1,1,0,0,0,0|1,0,1]=4 304 B11R1.24 CCNCC1=CC=CC(O)=C1 31617 [1,1,0,0,0,0|1,0,1]=4 305 B11R1.28 BrCCSCC1=CC=CC=C1 D80856 [1,1,0,0,0,0|0,1,1]=4 306 B11R1.28 CNCCCC1=CC=CC=C1 AR3929 [1,1,0,0,0,0|1,0,1]=4 307 B11R1.28 ICCOCC1=CC=CC=C1 70075 [1,1,0,0,0,0|0,0,1]=3 308 B11R1.28 NCCCOC1=CC=CC=C1 76995 [1,1,0,0,0,0|2,0,0]=4 309 B11R1.28 NCCCOC1=CC=CC=C1 AB7704 [1,1,0,0,0,0|2,0,0]=4 310 B11R1.91 C[C@H](N)CCC1=CC=CC=C1 Y11691 [1,1,0,0,0,0|1,0,1]=4 311 B11R1.15 CCOC(=O)C1=CC(=O)NN1 FD10514 [0,1,0,0,1,0|2,0,0]=4 312 B11R1.15 CCOC(=O)C1=CC(Br)=NN1 P17345 [0,1,0,0,1,0|2,0,0]=4 313 B11R1.15 CCOC(=O)C1=CC(C)=CN1 83098 [0,1,0,0,1,0|1,0,0]=3 314 B11R1.15 CCOC(=O)C1=CC(C)=CS1 H11525 [0,1,0,0,1,0|1,0,0]=3 315 B11R1.15 CCOC(=O)C1=CC(Cl)=NN1 P15481 [0,1,0,0,1,0|2,0,0]=4 316 B11R1.15 CCOC(=O)C1=CC(N)=CN1 70768 [0,1,0,0,1,0|1,0,0]=3 317 B11R1.15 CCOC(=O)C1=CC=C(Br)N1 78881 [0,1,0,0,1,0|1,0,0]=3 318 B11R1.15 CCOC(=O)C1=CN=C(N)N1 26231 [0,1,0,0,1,0|2,0,0]=4 319 B11R1.15 CCOC(=O)C1=CN=C(S)S1 SC1360 [0,1,0,0,1,0|2,0,0]=4 320 B11R1.15 CCOC(=O)C1=CNC(Br)=N1 P18322 [0,1,0,0,1,0|2,0,0]=4 321 B11R1.15 CCOC(=O)C1=CNC(C)=C1 D76379 [0,1,0,0,1,0|1,0,0]=3 322 B11R1.15 CCOC(=O)C1=CNC(C)=N1 D95741 [0,1,0,0,1,0|2,0,0]=4 323 B11R1.15 CCOC(=O)C1=CNC(Cl)=C1 P20595 [0,1,0,0,1,0|1,0,0]=3 324 B11R1.15 CCOC(=O)C1=CSC(Cl)=C1 Y11383 [0,1,0,0,1,0|1,0,0]=3 325 B11R1.15 CCOC(=O)C1=CSC(F)=N1 AC2296 [0,1,0,0,1,0|2,0,0]=4 326 B11R1.15 CCOC(=O)C1=NC(C)=CO1 F13742 [0,1,0,0,1,0|2,0,0]=4 327 B11R1.15 CCOC(=O)C1=NC(N)=CN1 C90550 [0,1,0,0,1,0|2,0,0]=4 328 B11R1.15 CCOC(=O)C1=NC=C(Br)S1 F52709 [0,1,0,0,1,0|2,0,0]=4 329 B11R1.15 CCOC(=O)C1=NC=C(C)N1 96258 [0,1,0,0,1,0|2,0,0]=4 330 B11R1.15 CCOC(=O)C1=NC=C(C)O1 F14099 [0,1,0,0,1,0|2,0,0]=4 331 B11R1.15 CCOC(=O)C1=NN(C)C=C1 O11735 [0,1,0,0,1,0|2,0,0]=4 332 B11R1.15 CCOC(=O)C1=NNC(I)=C1 78224 [0,1,0,0,1,0|2,0,0]=4 333 B11R1.15 CCOC(=O)C1=NOC(Br)=C1 D84090 [0,1,0,0,1,0|2,0,0]=4 334 B11R1.15 CCOC(=O)C1=NOC(N)=C1 88480 [0,1,0,0,1,0|2,0,0]=4 335 B11R1.15 CCOC(=O)N1C=CC(N)=N1 W12315 [0,1,0,0,1,0|2,0,0]=4 336 B11R1.29 CNCCC(=O)C1=CC=CS1 C76025 [0,1,0,0,1,0|2,0,0]=4 337 B11R1.199 CCOC(=O)C1=C(Br)C=CO1 F14070 [0,1,0,0,1,0|1,0,0]=3 338 B11R1.199 CCOC(=O)C1=C(Br)N=CO1 27033 [0,1,0,0,1,0|2,0,0]=4 339 B11R1.199 CCOC(=O)C1=C(Br)N=CS1 88254 [0,1,0,0,1,0|2,0,0]=4 340 B11R1.199 CCOC(=O)C1=C(Br)NC=N1 F30600 [0,1,0,0,1,0|2,0,0]=4 341 B11R1.199 CCOC(=O)C1=C(C)OC=N1 68172 [0,1,0,0,1,0|2,0,0]=4 342 B11R1.199 CCOC(=O)C1=C(C)SC=N1 68023 [0,1,0,0,1,0|2,0,0]=4 343 B11R1.199 CCOC(=O)C1=C(Cl)NC=N1 F30573 [0,1,0,0,1,0|2,0,0]=4 344 B11R1.199 CCOC(=O)C1=C(Cl)SC=N1 36496 [0,1,0,0,1,0|2,0,0]=4 345 B11R1.199 CCOC(=O)C1=C(F)C=NN1 D96476 [0,1,0,0,1,0|2,0,0]=4 346 B11R1.199 CCOC(=O)C1=C(I)SC=N1 72637 [0,1,0,0,1,0|2,0,0]=4 347 B11R1.199 CCOC(=O)C1=C(N)C=CO1 67501 [0,1,0,0,1,0|1,0,0]=3 348 B11R1.199 CCOC(=O)C1=CC=CN1N 61488 [0,1,0,0,1,0|1,0,0]=3 349 B11R1.199 CCOC(=O)C1=CNN=C1Br Y10110 [0,1,0,0,1,0|2,0,0]=4 350 B11R1.199 CCOC(=O)C1=CNN=C1Cl Y10509 [0,1,0,0,1,0|2,0,0]=4 351 B11R1.199 CCOC(=O)C1=CNN=C1I 26404 [0,1,0,0,1,0|2,0,0]=4 352 B11R1.199 CCOC(=O)C1=CNOC1=O A11101 [0,1,0,0,1,0|2,0,0]=4 353 B11R1.199 CCOC(=O)C1=NC=CN1N F51446 [0,1,0,0,1,0|2,0,0]=4 354 B11R1.199 CCOC(=O)C1=NNC=C1Cl 72892 [0,1,0,0,1,0|2,0,0]=4 355 B11R1.199 CCOC(=O)C1=NOC=C1C 95083 [0,1,0,0,1,0|2,0,0]=4 356 B13R1.19 CCNC(=O)NC1=CC=C(Br)C=C1 C12551 [0,1,0,0,0,1|1,0,0]=3 357 B13R1.19 CCOC(=O)CC1=CN=C(Br)C=N1 P20825 [0,1,0,0,0,1|2,0,0]=4 358 B13R1.19 CCOC(=O)CC1=CN=C(Cl)N=C1 P12370 [0,1,0,0,0,1|2,0,0]=4 359 B13R1.19 CCOC(=O)CC1=CN=C(N)C=C1 C10026 [0,1,0,0,0,1|1,0,0]=3 360 B13R1.19 CCOC(=O)CC1=CN=C(O)C=C1 D80218 [0,1,0,0,0,1|1,0,0]=3 361 B13R1.19 CCOC(=O)CC1=NC=C(C)C=C1 12065 [0,1,0,0,0,1|1,0,0]=3 362 B13R1.19 CCOC(=O)CC1=NC=C(Cl)C=C1 89137 [0,1,0,0,0,1|1,0,0]=3 363 B13R1.19 CCOC(=O)CC1=NC=C(F)C=C1 52927 [0,1,0,0,0,1|1,0,0]=3 364 B13R1.19 CCOC(=O)CC1=NC=C(I)C=C1 P13442 [0,1,0,0,0,1|1,0,0]=3 365 B13R1.19 CCOC(=O)CC1=NC=C(N)C=C1 P12845 [0,1,0,0,0,1|1,0,0]=3 366 B13R1.19 CCOC(=O)CC1=NC=C(N)C=N1 AC2279 [0,1,0,0,0,1|2,0,0]=4 367 B13R1.19 CCOC(=O)CC1=NC=C(O)C=C1 37596 [0,1,0,0,0,1|1,0,0]=3 368 B13R1.19 CCOC(=O)CC1=NN=C(Cl)C=C1 P10834 [0,1,0,0,0,1|2,0,0]=4 369 B13R1.19 CCOC(=O)CC1=NNC(=O)C=C1 D86639 [0,1,0,0,0,1|2,0,0]=4 370 B13R1.19 CCOC(=O)NC1=CC=C(N)C=C1 D96066 [0,1,0,0,0,1|0,0,0]=2 371 B13R1.20 CCNC(=O)NC1=NC=CC(Br)=C1 W17774 [0,1,0,0,0,1|2,0,0]=4 372 B13R1.20 CCOC(=O)CC1=CC(Br)=CN=C1 69675 [0,1,0,0,0,1|1,0,0]=3 373 B13R1.20 CCOC(=O)CC1=CC(F)=CN=C1 39150 [0,1,0,0,0,1|1,0,0]=3 374 B13R1.20 CCOC(=O)CC1=CC=CC(Br)=N1 C77298 [0,1,0,0,0,1|1,0,0]=3 375 B13R1.20 CCOC(=O)CC1=CN=CC(Cl)=N1 AT19767 [0,1,0,0,0,1|2,0,0]=4 376 B13R1.20 CCOC(=O)CC1=NC(N)=CC=C1 24693 [0,1,0,0,0,1|1,0,0]=3 377 B13R1.20 CCOC(=O)CC1=NC(N)=NC=C1 82815 [0,1,0,0,0,1|2,0,0]=4 378 B13R1.20 CCOC(=O)CC1=NC=CC(Br)=C1 F31216 [0,1,0,0,0,1|1,0,0]=3 379 B13R1.20 O=C(CCCl)NC1=CC(O)=CC=C1 29982 [0,1,0,0,0,1|2,0,0]=4 380 B13R1.44 CCCOC(=O)CC1=CC=CC=C1 A12538 [0,1,0,0,0,1|0,0,0]=2 381 B13R1.47 CCOC(=O)C(=O)C1=CN=CC=C1 25920 [0,1,0,0,0,1|1,0,0]=3 382 B13R1.47 CCOC(=O)[C@H](Br)C1=NC=CC=C1 93370 [0,1,0,0,0,1|1,0,0]=3 383 B13R1.47 CCOC(=O)[C@H](C)C1=CC=CC=C1 F13478 [0,1,0,0,0,1|0,0,0]=2 384 B13R1.47 CCOC(=O)[C@H](N)C1=CC=NC=C1 32467 [0,1,0,0,0,1|1,0,0]=3 385 B13R1.47 CCOC(=O)[C@H](N)C1=CN=CC=C1 F14058 [0,1,0,0,0,1|1,0,0]=3 386 B13R1.47 CCOC(=O)[C@H](N)C1=NC=CC=C1 32465 [0,1,0,0,0,1|1,0,0]=3 387 B13R1.47 CCOC(=O)[C@H](N)C1=NC=CC=C1 61481 [0,1,0,0,0,1|1,0,0]=3 388 B13R1.47 CCOC(=O)[C@H](N)C1=NC=CN=C1 66424 [0,1,0,0,0,1|2,0,0]=4 389 B13R1.348 CC(=O)CC(=O)CC1=CC=CC=C1 27901 [0,1,0,0,0,1|1,0,1]=4 390 B13R1.348 CC(C)=CC(=O)NC1=CC=CC=C1 C91653 [0,1,0,0,0,1|1,0,1]=4 391 B13R1.348 C[C@H](Cl)OC(=O)OC1=CC=CC=C1 A12584 [0,1,0,0,0,1|0,0,0]=2 392 B13R1.470 CCOC(=O)CC1=C(Br)C=CC=N1 CK2612 [0,1,0,0,0,1|1,0,0]=3 393 B13R1.470 CCOC(=O)CC1=C(Br)C=NC=C1 98391 [0,1,0,0,0,1|1,0,0]=3 394 B13R1.470 CCOC(=O)CC1=C(Br)C=NC=N1 D82269 [0,1,0,0,0,1|2,0,0]=4 395 B13R1.470 CCOC(=O)CC1=C(I)C=CC=N1 D93367 [0,1,0,0,0,1|1,0,0]=3 396 B13R1.470 CCOC(=O)CC1=C(N)C=CC=C1 AB11211 [0,1,0,0,0,1|0,0,0]=2 397 B13R1.470 CCOC(=O)CC1=C(N)C=CC=C1 AB21211 [0,1,0,0,0,1|0,0,0]=2 398 B13R1.470 CCOC(=O)CC1=CC=CN=C1Cl 37575 [0,1,0,0,0,1|1,0,0]=3 399 B13R1.470 CCOC(=O)CC1=NC=CC=C1N F18231 [0,1,0,0,0,1|1,0,0]=3 400 B13R1.470 CCOC(=O)CC1=NC=CN=C1Cl AC7235 [0,1,0,0,0,1|2,0,0]=4 401 B13R1.17 CC1=CC=C(C(=O)OCCO)C=C1 A11170 [0,2,0,0,0,0|0,0,0]=2 402 B13R1.17 NC1=CC=C(C(=O)NCCO)C=C1 C80025 [0,2,0,0,0,0|1,0,0]=3 403 B13R1.21 CC[C@H](Br)C(=O)C1=CC=C(Cl)C=C1 29579 [0,2,0,0,0,0|1,0,0]=3 404 B13R1.21 COC(=O)C(=O)C1=CC=C(Cl)C=C1 AB11755 [0,2,0,0,0,0|2,0,0]=4 405 B13R1.21 COC(=O)C(=O)C1=CC=C(O)C=C1 A11230 [0,2,0,0,0,0|2,0,0]=4 406 B13R1.21 CON(C)C(=O)C1=CC=C(I)C=C1 62500 [0,2,0,0,0,0|2,0,0]=4 407 B13R1.29 CCOS(=O)(=O)C1=CC=C(Cl)C=C1 D93285 [0,2,0,0,0,0|1,0,0]=3 408 B13R1.132 CC(=O)CC(=O)C1=CC=C(Br)C=C1 F11171 [0,2,0,0,0,0|1,0,1]=4 409 B13R1.452 C=CC1=CC=C(C(=O)OCC)C=C1 S11889 [0,2,0,0,0,0|0,0,0]=2 410 B13R1.452 CCOC(=N)C1=CC=C(OC)C=C1 W11168 [0,2,0,0,0,0|1,0,0]=3 411 B13R1.452 CCOC(=O)C1=CC=C(CN)C=C1 20623 [0,2,0,0,0,0|0,0,0]=2 412 B13R1.452 CCOC(=O)C1=CC=C(NN)C=C1 20699 [0,2,0,0,0,0|0,0,0]=2 413 B13R1.452 CCOC(=O)C1=CN=C(C#N)C=C1 AR3383 [0,2,0,0,0,0|1,0,0]=3 414 B13R1.452 CCOC(=O)C1=CN=C(CC)N=C1 69206 [0,2,0,0,0,0|2,0,0]=4 415 B13R1.452 CCOC(=O)C1=CN=C(CN)C=C1 AR2222 [0,2,0,0,0,0|1,0,0]=3 416 B13R1.452 CCOC(=O)C1=CN=C(CO)C=C1 O11808 [0,2,0,0,0,0|1,0,0]=3 417 B13R1.452 CCOC(=O)C1=CN=C(OC)C=C1 AB10014 [0,2,0,0,0,0|1,0,0]=3 418 B13R1.452 CCOC(=O)C1=NC=C(CO)C=C1 C75363 [0,2,0,0,0,0|1,0,0]=3 419 B13R1.452 CCOC(=O)C1=NN=C(NC)C=C1 AC6007 [0,2,0,0,0,0|2,0,0]=4 420 B13R1.466 CCOC(=O)C1=CC(=O)N(C)C=C1 AT19294 [0,2,0,0,0,0|1,0,0]=3 421 B13R1.466 CCOC(=O)C1=CC(Br)=C(Br)C=C1 71385 [0,2,0,0,0,0|0,0,0]=2 422 B13R1.466 CCOC(=O)C1=CC(Br)=C(C)C=C1 D70717 [0,2,0,0,0,0|0,0,0]=2 423 B13R1.466 CCOC(=O)C1=CC(Br)=C(C)N=C1 I11201 [0,2,0,0,0,0|1,0,0]=3 424 B13R1.466 CCOC(=O)C1=CC(Br)=C(I)C=C1 C74969 [0,2,0,0,0,0|0,0,0]=2 425 B13R1.466 CCOC(=O)C1=CC(Cl)=C(Br)C=C1 21120 [0,2,0,0,0,0|0,0,0]=2 426 B13R1.466 CCOC(=O)C1=CC(Cl)=C(C)C=N1 S10355 [0,2,0,0,0,0|1,0,0]=3 427 B13R1.466 CCOC(=O)C1=CC(N)=C(O)C=C1 AC2309 [0,2,0,0,0,0|0,0,0]=2 428 B13R1.466 CCOC(=O)C1=CC=C(C)C(Br)=N1 87756 [0,2,0,0,0,0|1,0,0]=3 429 B13R1.466 CCOC(=O)C1=CC=C(C)C(Cl)=N1 36338 [0,2,0,0,0,0|1,0,0]=3 430 B13R1.466 CCOC(=O)C1=CN=C(I)C(O)=C1 W11798 [0,2,0,0,0,0|1,0,0]=3 431 B13R1.466 CCOC(=O)C1=CNC(=O)C(Br)=C1 S10357 [0,2,0,0,0,0|1,0,0]=3 432 B13R1.466 CCOC(=O)C1=CNC(=O)C(C)=C1 C76762 [0,2,0,0,0,0|1,0,0]=3 433 B13R1.466 CCOC(=O)C1=NC(Cl)=C(Br)C=C1 C71781 [0,2,0,0,0,0|1,0,0]=3 434 B13R1.466 CCOC(=O)C1=NC(O)=C(Br)C=C1 C71785 [0,2,0,0,0,0|1,0,0]=3 435 B13R1.466 O=C(CCCl)C1=CC(Cl)=C(Cl)C=C1 57537 [0,2,0,0,0,0|2,0,0]=4 436 B13R1.1511 CCOC(=O)C1=C(Br)C=C(C)C=N1 D79318 [0,2,0,0,0,0|1,0,0]=3 437 B13R1.1511 CCOC(=O)C1=C(Br)C=C(Cl)N=C1 C73475 [0,2,0,0,0,0|1,0,0]=3 438 B13R1.1511 CCOC(=O)C1=C(C)C=C(Br)C=C1 AB9230 [0,2,0,0,0,0|0,0,0]=2 439 B13R1.1511 CCOC(=O)C1=C(C)N=C(C)C=C1 F11655 [0,2,0,0,0,0|1,0,0]=3 440 B13R1.1511 CCOC(=O)C1=C(C)N=C(Cl)C=C1 68231 [0,2,0,0,0,0|1,0,0]=3 441 B13R1.1511 CCOC(=O)C1=C(C)N=C(Cl)N=C1 36075 [0,2,0,0,0,0|2,0,0]=4 442 B13R1.1511 CCOC(=O)C1=C(C)N=C(N)N=C1 F20904 [0,2,0,0,0,0|2,0,0]=4 443 B13R1.1511 CCOC(=O)C1=C(Cl)C=C(N)C=N1 A10748 [0,2,0,0,0,0|1,0,0]=3 444 B13R1.1511 CCOC(=O)C1=C(Cl)N=C(Br)C=C1 D82543 [0,2,0,0,0,0|1,0,0]=3 445 B13R1.1511 CCOC(=O)C1=C(F)C=C(I)C=C1 F20084 [0,2,0,0,0,0|0,0,0]=2 446 B13R1.1511 CCOC(=O)C1=C(N)C=C(Br)C=C1 20921 [0,2,0,0,0,0|0,0,0]=2 447 B13R1.1511 CCOC(=O)C1=C(N)C=C(F)C=C1 24450 [0,2,0,0,0,0|0,0,0]=2 448 B13R1.1511 CCOC(=O)C1=C(N)N=C(C)N=C1 H11478 [0,2,0,0,0,0|2,0,0]=4 449 B13R1.1511 CCOC(=O)C1=C(N)N=C(Cl)C=C1 AR2612 [0,2,0,0,0,0|1,0,0]=3 450 B13R1.1511 CCOC(=O)C1=C(O)C=C(Br)C=C1 AC5873 [0,2,0,0,0,0|0,0,0]=2 451 B13R1.1511 CCOC(=O)C1=C(O)N=C(C)C=C1 N11864 [0,2,0,0,0,0|1,0,0]=3 452 B13R1.1511 CCOC(=O)C1=CN=C(C)N=C1Cl 24630 [0,2,0,0,0,0|2,0,0]=4 453 B13R1.1511 CCOC(=O)C1=CN=C(Cl)C=C1N 28003 [0,2,0,0,0,0|1,0,0]=3 454 B13R1.1511 CCOC(=O)C1=CN=C(N)N=C1Cl 12127 [0,2,0,0,0,0|2,0,0]=4 455 B13R1.1511 CCOC(=O)C1=NC=C(Br)C=C1C C76541 [0,2,0,0,0,0|1,0,0]=3 456 B13R1.1511 CCOC(=O)C1=NC=C(C)N=C1O P19433 [0,2,0,0,0,0|2,0,0]=4 457 B13R1.1511 CCOC(=O)C1=NC=C(Cl)C=C1N F14069 [0,2,0,0,0,0|1,0,0]=3 458 B13R1.1511 CCOC(=O)C1=NN=C(O)C=C1O 84687 [0,2,0,0,0,0|2,0,0]=4 459 B13R1.1511 O=C(OCCl)C1=C(Cl)C=C(Cl)C=C1 A10904 [0,2,0,0,0,0|1,0,0]=3 460 B13R1.12 CCOC(=O)C1=C(C)C(O)=CC=C1 W15304 [0,2,0,0,0,0|0,0,0]=2 461 B13R1.12 CCOC(=O)C1=C(Cl)C(Cl)=NC=N1 C10842 [0,2,0,0,0,0|2,0,0]=4 462 B13R1.12 CCOC(=O)C1=C(O)C(=O)NC=C1 VT1103 [0,2,0,0,0,0|1,0,0]=3 463 B13R1.12 CCOC(=O)C1=CC=CC(Br)=C1C 54889 [0,2,0,0,0,0|0,0,0]=2 464 B13R1.12 CCOC(=O)C1=CN=CC(Br)=C1N C71948 [0,2,0,0,0,0|1,0,0]=3 465 B13R1.12 CCOC(=O)C1=NC=NC(N)=C1Cl C11577 [0,2,0,0,0,0|2,0,0]=4 466 B13R1.18 N#CCCC(=O)C1=CC=CC(Cl)=C1 AB8926 [0,2,0,0,0,0|1,0,1]=4 467 B13R1.22 COC(=O)C(=O)C1=CC=CC(Br)=C1 20946 [0,2,0,0,0,0|2,0,0]=4 468 B13R1.22 COC(=O)C(=O)C1=CC=CC(Cl)=C1 AB11754 [0,2,0,0,0,0|2,0,0]=4 469 B13R1.446 CCOC(=O)C1=C(Br)C=NC(Cl)=N1 AC4018 [0,2,0,0,0,0|2,0,0]=4 470 B13R1.446 CCOC(=O)C1=C(C)N=CC(N)=C1 61260 [0,2,0,0,0,0|1,0,0]=3 471 B13R1.446 CCOC(=O)C1=C(C)N=CC(O)=C1 76570 [0,2,0,0,0,0|1,0,0]=3 472 B13R1.446 CCOC(=O)C1=C(Cl)C=CC(I)=N1 AC4266 [0,2,0,0,0,0|1,0,0]=3 473 B13R1.446 CCOC(=O)C1=C(F)C=CC(I)=C1 C13331 [0,2,0,0,0,0|0,0,0]=2 474 B13R1.446 CCOC(=O)C1=C(F)C=NC(Cl)=N1 AC2293 [0,2,0,0,0,0|2,0,0]=4 475 B13R1.446 CCOC(=O)C1=C(I)C=CC(Br)=C1 88899 [0,2,0,0,0,0|0,0,0]=2 476 B13R1.446 CCOC(=O)C1=C(I)C=CC(C)=C1 88035 [0,2,0,0,0,0|0,0,0]=2 477 B13R1.446 CCOC(=O)C1=C(N)C=CC(Cl)=N1 38926 [0,2,0,0,0,0|1,0,0]=3 478 B13R1.446 CCOC(=O)C1=C(N)C=CC(F)=C1 C13859 [0,2,0,0,0,0|0,0,0]=2 479 B13R1.446 CCOC(=O)C1=C(O)C=CC(Cl)=C1 D84516 [0,2,0,0,0,0|0,0,0]=2 480 B13R1.446 CCOC(=O)C1=C(O)C=CC(I)=C1 I11795 [0,2,0,0,0,0|0,0,0]=2 481 B13R1.446 CCOC(=O)C1=CC(C)=CN=C1Cl C77011 [0,2,0,0,0,0|1,0,0]=3 482 B13R1.446 CCOC(=O)C1=CC(C)=NN=C1Cl E71742 [0,2,0,0,0,0|2,0,0]=4 483 B13R1.446 CCOC(=O)C1=CC(C)=NNC1=O W19072 [0,2,0,0,0,0|2,0,0]=4 484 B13R1.446 CCOC(=O)C1=CC(Cl)=CN=C1C C76833 [0,2,0,0,0,0|1,0,0]=3 485 B13R1.446 CCOC(=O)C1=CC(Cl)=NC=C1C W13318 [0,2,0,0,0,0|1,0,0]=3 486 B13R1.446 CCOC(=O)C1=CC(F)=CN=C1N D82961 [0,2,0,0,0,0|1,0,0]=3 487 B13R1.446 CCOC(=O)C1=CC(I)=CN=C1N C10333 [0,2,0,0,0,0|1,0,0]=3 488 B13R1.446 CCOC(=O)C1=CC(N)=CN=C1Cl A10683 [0,2,0,0,0,0|1,0,0]=3 489 B13R1.446 CCOC(=O)C1=NC(C)=CC=C1N P12349 [0,2,0,0,0,0|1,0,0]=3 490 B13R1.450 CCOC(=O)C1=CC(Br)=CC(Br)=C1 AB10321 [0,2,0,0,0,0|0,0,0]=2 491 B13R1.450 CCOC(=O)C1=CC(Br)=CC(Cl)=C1 F53830 [0,2,0,0,0,0|0,0,0]=2 492 B13R1.450 CCOC(=O)C1=CC(C)=CC(Cl)=N1 22699 [0,2,0,0,0,0|1,0,0]=3 493 B13R1.450 CCOC(=O)C1=CC(Cl)=CC(N)=C1 87343 [0,2,0,0,0,0|0,0,0]=2 494 B13R1.450 CCOC(=O)C1=CC(Cl)=NC(C)=N1 C10178 [0,2,0,0,0,0|2,0,0]=4 495 B13R1.450 CCOC(=O)C1=CC(Cl)=NC(Cl)=C1 71182 [0,2,0,0,0,0|1,0,0]=3 496 B13R1.450 CCOC(=O)C1=CC(I)=CC(Br)=C1 AB1422 [0,2,0,0,0,0|0,0,0]=2 497 B13R1.450 CCOC(=O)C1=NC(C)=CC(Br)=C1 D80221 [0,2,0,0,0,0|1,0,0]=3 498 B13R1.460 C#CC1=CC=CC(C(=O)OCC)=N1 C72518 [0,2,0,0,0,0|1,0,0]=3 499 B13R1.460 C=CC1=CC=CC(C(=O)OCC)=C1 F14502 [0,2,0,0,0,0|0,0,0]=2 500 B13R1.460 CCOC(=O)C1=CC(C=O)=NC=C1 60946 [0,2,0,0,0,0|1,0,0]=3 501 B13R1.460 CCOC(=O)C1=CC=CC(CBr)=N1 F16092 [0,2,0,0,0,0|1,0,0]=3 502 B13R1.460 CCOC(=O)C1=CC=NC(SC)=N1 72143 [0,2,0,0,0,0|2,0,0]=4 503 B13R1.460 CCOC(=O)C1=CN=CC(C#N)=C1 W15405 [0,2,0,0,0,0|1,0,0]=3 504 B13R1.460 CCOC(=O)C1=CN=CC(CN)=C1 W15406 [0,2,0,0,0,0|1,0,0]=3 505 B13R1.460 CCOC(=O)C1=NC(C#N)=CC=C1 S11644 [0,2,0,0,0,0|1,0,0]=3 506 B13R1.460 CCOC(=O)C1=NC(CN)=CC=C1 N12816 [0,2,0,0,0,0|1,0,0]=3 507 B13R1.460 CCOC(=O)C1=NC(CO)=CC=C1 78673 [0,2,0,0,0,0|1,0,0]=3 508 B13R1.460 CCOC(=O)C1=NC=CC(C#N)=C1 C77339 [0,2,0,0,0,0|1,0,0]=3 509 B13R1.460 CCOC(=O)C1=NC=CC(C=O)=C1 D94597 [0,2,0,0,0,0|1,0,0]=3 510 B13R1.11 CNC(=O)CC(=O)C1=CC=CC=C1 32568 [0,2,0,0,0,0|1,0,1]=4 511 B13R1.24 CCCCNC(=O)C1=CC=CC=C1 I11490 [0,2,0,0,0,0|1,0,0]=3 512 B13R1.45 CC(C)CCC(=O)C1=CC=CC=C1 Y11605 [0,2,0,0,0,0|1,0,0]=3 513 B13R1.45 CC(C)NNC(=O)C1=CC=NC=C1 S10635 [0,2,0,0,0,0|2,0,0]=4 514 B13R1.45 C[C@H](O)COC(=O)C1=CC=CC=C1 D93462 [0,2,0,0,0,0|0,0,0]=2 515 B13R1.45 O=C(O)CNC(=O)C1=CC=CC=C1 D81437 [0,2,0,0,0,0|1,0,1]=4 516 B13R1.122 NCCCS(=O)(=O)C1=CC=CC=C1 AR2660 [0,2,0,0,0,0|2,0,0]=4 517 B13R1.674 CCCCC(=O)C1=C(F)C=CC=C1 N13949 [0,2,0,0,0,0|1,0,0]=3 518 B13R1.696 COC(=O)C(=O)C1=C(Br)C=CC=C1 AB11679 [0,2,0,0,0,0|2,0,0]=4 519 B13R1.696 COC(=O)C(=O)C1=C(Cl)C=CC=C1 AB11753 [0,2,0,0,0,0|2,0,0]=4 520 B13R1.696 CON(C)C(=O)C1=C(Br)C=CC=C1 20968 [0,2,0,0,0,0|2,0,0]=4 521 B13R1.696 CON(C)C(=O)C1=C(N)C=CC=C1 W15320 [0,2,0,0,0,0|2,0,0]=4 522 B13R1.2819 CCNS(=O)(=O)C1=C(C)C=CC=C1 D88149 [0,2,0,0,0,0|2,0,0]=4 523 B13R1.2819 CCNS(=O)(=O)C1=C(N)C=CC=C1 AT23134 [0,2,0,0,0,0|2,0,0]=4 524 B13R1.201 CC(=O)NC(=O)C1=C(O)C=CC=C1 28028 [0,2,0,0,0,0|1,0,1]=4 525 B13R1.201 CC(C)CC(=O)C1=C(Cl)C=CC=C1 F10466 [0,2,0,0,0,0|1,0,0]=3 526 B13R1.352 CS(=O)(=O)CC(=O)C1=CC=CC=C1 T72377 [0,2,0,0,0,0|2,0,0]=4 527 B13R1.464 CCOC(=O)C1=C(C#N)N=CC=C1 C76409 [0,2,0,0,0,0|1,0,0]=3 528 B13R1.464 CCOC(=O)C1=C(CBr)C=CC=C1 F11922 [0,2,0,0,0,0|0,0,0]=2 529 B13R1.464 CCOC(=O)C1=C(CN)N=CC=C1 S11622 [0,2,0,0,0,0|1,0,0]=3 530 B13R1.464 CCOC(=O)C1=C(NC)N=CC=C1 AC2786 [0,2,0,0,0,0|1,0,0]=3 531 B13R1.464 CCOC(=O)C1=C(NN)N=CC=C1 W15401 [0,2,0,0,0,0|1,0,0]=3 532 B13R1.464 CCOC(=O)C1=CC=CN=C1CCl 33609 [0,2,0,0,0,0|1,0,0]=3 533 B13R1.4453 CCOC(=O)C1=C(Br)C=NC=C1F W11402 [0,2,0,0,0,0|1,0,0]=3 534 B13R1.4453 CCOC(=O)C1=C(C)C=CN=C1Br 58225 [0,2,0,0,0,0|1,0,0]=3 535 B13R1.4453 CCOC(=O)C1=C(C)C=CN=C1Cl 61196 [0,2,0,0,0,0|1,0,0]=3 536 B13R1.4453 CCOC(=O)C1=C(Cl)C=CN=C1Br FD10655 [0,2,0,0,0,0|1,0,0]=3 537 B13R1.4453 CCOC(=O)C1=C(Cl)C=NC=C1Cl D84511 [0,2,0,0,0,0|1,0,0]=3 538 B13R1.4453 CCOC(=O)C1=C(Cl)N=CN=C1Cl 27387 [0,2,0,0,0,0|2,0,0]=4 539 B11R2.1 C=C1CCC2=C1C=CC=C2 AC3155 [1,0,0,1,0,0|1,0,0]=3 540 B11R2.1 CC1=CCC2=C1C=CC=C2 C76459 [1,0,0,1,0,0|1,0,1]=4 541 B11R2.1 CN1CCC2=C1C=CC=C2 D83554 [1,0,0,1,0,0|2,0,0]=4 542 B11R2.1 NC1=NCC2=C1C=CC=C2 32182 [1,0,0,1,0,0|2,0,0]=4 543 B11R2.1 NN1CCC2=C1C=CC=C2 C90200 [1,0,0,1,0,0|2,0,0]=4 544 B11R2.1 O=C1C=CC2=C1C=CC=C2 O10409 [1,0,0,1,0,0|0,0,2]=4 545 B11R2.1 O=C1CCC2=C1C=CN=C2 67473 [1,0,0,1,0,0|1,0,0]=3 546 B11R2.1 O=C1CCC2=C1C=NC=C2 P10633 [1,0,0,1,0,0|1,0,0]=3 547 B11R2.1 O=C1COC2=C1C=CN=C2 65977 [1,0,0,1,0,0|2,0,0]=4 548 B11R2.1 O=C1COC2=C1C=CN=C2 W17205 [1,0,0,1,0,0|2,0,0]=4 549 B11R2.1 O=C1CSC2=C1C=CC=C2 26760 [1,0,0,1,0,0|1,0,0]=3 550 B11R2.1 O=C1NCC2=C1C=CC=N2 84460 [1,0,0,1,0,0|2,0,0]=4 551 B11R2.1 O=C1NCC2=C1C=CN=C2 F19961 [1,0,0,1,0,0|2,0,0]=4 552 B11R2.1 O=C1NCC2=C1C=NC=C2 37545 [1,0,0,1,0,0|2,0,0]=4 553 B11R2.1 O=C1NCC2=CC=CN=C12 87908 [1,0,0,1,0,0|2,0,0]=4 554 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 D70931 [1,0,0,1,0,0|0,0,2]=4 555 B11R2.239 C1=CC=C([C@@H]2CCN2)C=C1 C90175 [1,0,0,1,0,0|1,0,1]=4 556 B11R2.20 C1=CC2=C(C=C1)CCN=C2 F12436 [1,0,0,1,0,0|1,0,0]=3 557 B11R2.20 C1=CC2=C(C=C1)OCC=C2 N13096 [1,0,0,1,0,0|2,0,0]=4 558 B11R2.106 O=C1CCCC2=C1OC=C2 W11588 [0,0,0,1,1,0|2,0,0]=4 559 B11R2.106 O=C1CCCC2=CNC=C12 28051 [0,0,0,1,1,0|2,0,0]=4 560 B11R2.106 O=C1NCCC2=C1C=CN2 P17387 [0,0,0,1,1,0|2,0,0]=4 561 B11R2.106 O=C1NCCC2=C1C=CS2 96995 [0,0,0,1,1,0|2,0,0]=4 562 B11R2.106 O=C1NCCC2=C1SC=C2 78515 [0,0,0,1,1,0|2,0,0]=4 563 B11R2.106 O=C1NCCN2C=CC=C12 C90500 [0,0,0,1,1,0|2,0,0]=4 564 B11R2.106 O=C1OCCC2=C1SC=C2 W19518 [0,0,0,1,1,0|1,0,0]=3 565 B13R2.15 O=C1NCCN1C2=CC=CC=C2 78651 [0,0,0,1,0,1|1,0,0]=3 566 B13R2.15 O=C1NCC[C@@H]1C2=CC=CC=C2 P19899 [0,0,0,1,0,1|1,0,0]=3 567 B13R2.26 CCSC1=NC2=C(C=CC=C2)N1 60969 [0,0,0,1,0,1|1,1,0]=4 568 B13R2.135 CCN1C(Cl)=NC2=C1C=CC=C2 C75739 [0,0,0,1,0,1|2,0,0]=4 569 B13R2.135 O=C1SC2=C(C=CC=C2)N1CO 73810 [0,0,0,1,0,1|2,0,0]=4 570 B13R2.163 O=C1CCCC2=CC=CN=C2N1 C76110 [0,0,0,1,0,1|2,0,0]=4 571 B13R2.163 O=C1CCOC2=C(C=CC=C2)C1 P11804 [0,0,0,1,0,1|2,0,0]=4 572 B13R2.163 O=C1NCCC2=C(C=CC=C2)N1 F21129 [0,0,0,1,0,1|1,0,0]=3 573 B13R2.328 C=C1OC(=O)NC2=C1C=CC=C2 A10123 [0,0,0,1,0,1|0,0,2]=4 574 B13R2.328 CC1=CC(=O)OC2=C1C=CC=C2 63779 [0,0,0,1,0,1|1,0,1]=4 575 B13R2.328 CN1CC(=O)NC2=C1C=CC=C2 87043 [0,0,0,1,0,1|2,0,0]=4 576 B13R2.3 C1=CC=C(B2OCCCO2)C=C1 D71701 [0,1,0,1,0,0|1,0,1]=4 577 B13R2.3 C1=CC=C([C@@H]2CNCCO2)C=C1 F13065 [0,1,0,1,0,0|1,0,1]=4 578 B13R2.3 C1=CC=C([C@@H]2CNCCO2)C=C1 F13093 [0,1,0,1,0,0|1,0,1]=4 579 B13R2.10 CC1=NC=C(C2=CC=CC=C2)O1 63684 [0,1,0,1,0,0|1,0,1]=4 580 B13R2.1613 CCC1=NCCC2=C1C=CC=C2 C75091 [0,1,0,1,0,0|2,0,0]=4 581 B13R2.1613 O=C[C@@H]1CCCC2=C1C=CC=C2 F13198 [0,1,0,1,0,0|1,0,1]=4 582 B13R2.12 BrC1=CC=C([C@@H]2CCCO2)C=C1 88342 [0,1,0,1,0,0|1,0,1]=4 583 B13R2.12 IC1=CC=C(C2=NCCC2)C=C1 AB9098 [0,1,0,1,0,0|2,0,0]=4 584 B13R2.12 NC1=CC=C(C2=NCCN2)C=C1 C75851 [0,1,0,1,0,0|2,0,0]=4 585 B13R2.12 OC1=CC=C(C2=NCCO2)C=C1 P16453 [0,1,0,1,0,0|1,0,0]=3 586 B13R2.520 O=C(C1=CN=C(Cl)C=C1)C2CC2 F16363 [0,1,0,1,0,0|2,0,0]=4 587 B13R2.5179 CC1=CC2=C(C=C1)C(=O)CCC2 I10918 [0,1,0,1,0,0|1,0,0]=3 588 B13R2.5179 CC1=CC2=C(C=C1)C(=O)CCN2 72048 [0,1,0,1,0,0|2,0,0]=4 589 B13R2.5179 CC1=CC2=C(C=C1)C(=O)CCO2 I11465 [0,1,0,1,0,0|2,0,0]=4 590 B13R2.5179 CC1=CC2=C(C=C1)C(=O)NCC2 Y11141 [0,1,0,1,0,0|1,0,0]=3 591 B13R2.5179 CC1=CC2=C(C=C1)C(=O)NCC2 Y11355 [0,1,0,1,0,0|1,0,0]=3 592 B13R2.5179 NC1=CC2=C(C=C1)C(=O)CCO2 N11158 [0,1,0,1,0,0|2,0,0]=4 593 B13R2.5179 O=C1CCCC2=C1C=CC(I)=C2 FD10564 [0,1,0,1,0,0|1,0,0]=3 594 B13R2.5179 O=C1CCCC2=CC(Br)=CN=C12 55100 [0,1,0,1,0,0|2,0,0]=4 595 B13R2.5179 O=C1CCNC2=C1C=CC(Br)=C2 80181 [0,1,0,1,0,0|2,0,0]=4 596 B13R2.5179 O=C1CCNC2=C1C=CC(Cl)=C2 F12587 [0,1,0,1,0,0|2,0,0]=4 597 B13R2.5179 O=C1CCOC2=C1C=CC(O)=C2 26289 [0,1,0,1,0,0|2,0,0]=4 598 B13R2.5179 O=C1NCCC2=C1C=CC(Cl)=C2 34654 [0,1,0,1,0,0|1,0,0]=3 599 B13R2.5179 O=C1OCCC2=C1C=CC(Br)=C2 82309 [0,1,0,1,0,0|0,0,0]=2 600 B13R2.5187 C[C@H]1CC(=O)C2=C1C=C(F)C=C2 AB22587 [0,1,0,1,0,0|1,0,0]=3 601 B13R2.5187 O=C1N[C@@H](O)C2=C1C=CC(Br)=C2 C90504 [0,1,0,1,0,0|2,0,0]=4 602 B13R2.5187 O=C1OC(=O)C2=C1C=CC(O)=C2 C10538 [0,1,0,1,0,0|1,0,1]=4 603 B13R2.13 NC1=CC=CC(C2=NCCO2)=C1 AB11150 [0,1,0,1,0,0|1,0,0]=3 604 B13R2.162 CC1=CC2=C(C=C1)NCCC2=O W10107 [0,1,0,1,0,0|2,0,0]=4 605 B13R2.162 CC1=CC2=C(C=C1)SCCC2=O 90750 [0,1,0,1,0,0|2,0,0]=4 606 B13R2.162 NC1=CC2=C(C=C1)OCCC2=O I11475 [0,1,0,1,0,0|2,0,0]=4 607 B13R2.162 O=C1CCCC2=C1C=C(I)C=C2 N14356 [0,1,0,1,0,0|1,0,0]=3 608 B13R2.162 O=C1CCCC2=C1C=C(O)C=N2 F18586 [0,1,0,1,0,0|2,0,0]=4 609 B13R2.162 O=C1CCCC2=C1N=C(Cl)C=C2 50032 [0,1,0,1,0,0|2,0,0]=4 610 B13R2.162 O=C1CCCC2=CN=C(Cl)C=C12 F31147 [0,1,0,1,0,0|2,0,0]=4 611 B13R2.162 O=C1CCCC2=NC=C(Cl)C=C12 C72148 [0,1,0,1,0,0|2,0,0]=4 612 B13R2.162 O=C1CCNC2=C1C=C(Br)C=C2 Y11345 [0,1,0,1,0,0|2,0,0]=4 613 B13R2.162 O=C1CCNC2=C1C=C(I)C=C2 C90470 [0,1,0,1,0,0|2,0,0]=4 614 B13R2.162 O=C1CCOC2=C1C=C(I)C=C2 F11200 [0,1,0,1,0,0|2,0,0]=4 615 B13R2.162 O=C1CCOC2=C1C=C(O)C=C2 W17780 [0,1,0,1,0,0|2,0,0]=4 616 B13R2.162 O=C1CCSC2=C1C=C(Br)C=C2 90756 [0,1,0,1,0,0|2,0,0]=4 617 B13R2.162 O=C1COCC2=C1C=C(Br)C=C2 C76134 [0,1,0,1,0,0|2,0,0]=4 618 B13R2.162 O=C1NCCC2=C1C=C(F)C=C2 55446 [0,1,0,1,0,0|1,0,0]=3 619 B13R2.162 O=C1NCCC2=C1C=C(O)C=C2 55444 [0,1,0,1,0,0|1,0,0]=3 620 B13R2.162 O=C1NCCC2=NC=C(Br)C=C12 W14994 [0,1,0,1,0,0|2,0,0]=4 621 B13R2.162 O=C1OC=NC2=C1C=C(Br)C=C2 26272 [0,1,0,1,0,0|1,0,1]=4 622 B13R2.342 CC1=CC=CC2=C1CCCC2=O N10511 [0,1,0,1,0,0|1,0,0]=3 623 B13R2.342 CC1=CC=CC2=C1CCNC2=O 28056 [0,1,0,1,0,0|1,0,0]=3 624 B13R2.342 NC1=CC=CC2=C1OCCC2=O N13092 [0,1,0,1,0,0|2,0,0]=4 625 B13R2.342 O=C1CCCC2=C(I)C=CC=C12 F16988 [0,1,0,1,0,0|1,0,0]=3 626 B13R2.342 O=C1CCNC2=C(I)C=CC=C12 C90451 [0,1,0,1,0,0|2,0,0]=4 627 B13R2.342 O=C1CCOC2=C(Br)C=CC=C12 I11476 [0,1,0,1,0,0|2,0,0]=4 628 B13R2.342 O=C1CCOC2=C1C=CC=C2O N14376 [0,1,0,1,0,0|2,0,0]=4 629 B13R2.342 O=C1CCSC2=C(Br)C=CC=C12 I11420 [0,1,0,1,0,0|2,0,0]=4 630 B13R2.342 O=C1NCCC2=C(F)C=CC=C12 C74186 [0,1,0,1,0,0|1,0,0]=3 631 B13R2.342 O=C1NCCC2=C1C=CC=C2O F11844 [0,1,0,1,0,0|1,0,0]=3 632 B13R2.342 O=C1OC=CC2=C(Br)C=CC=C12 32120 [0,1,0,1,0,0|0,0,2]=4 633 B13R2.4857 NC1=C2C(=O)OC(=O)C2=CC=C1 W18402 [0,1,0,1,0,0|1,0,1]=4 634 B13R2.4857 O=C1N[C@@H](O)C2=CC=CC(Br)=C12 AB10131 [0,1,0,1,0,0|2,0,0]=4 635 B13R2.4857 O=C1OC(=O)C2=C(I)C=CC=C12 78055 [0,1,0,1,0,0|1,0,1]=4 636 B13R2.4857 O=C1O[C@H](O)C2=CC=CC(Cl)=C12 57830 [0,1,0,1,0,0|1,0,0]=3 637 B13R2.5324 CC1=CC=CC(C(=O)C2CC2)=C1 N13971 [0,1,0,1,0,0|1,0,0]=3 638 B13R2.5324 O=C(C1=CC=CC(Br)=N1)C2CC2 N14260 [0,1,0,1,0,0|2,0,0]=4 639 B13R2.5324 O=C(C1=CC=CC(F)=C1)C2CC2 N12748 [0,1,0,1,0,0|1,0,0]=3 640 B13R2.371 N[C@H]1COC(=O)C2=C1C=CC=C2 Y11200 [0,1,0,1,0,0|0,0,0]=2 641 B13R2.371 O=C1CC[C@H](O)C2=C1C=CC=C2 70927 [0,1,0,1,0,0|1,0,0]=3 642 B13R2.371 O=C1CNC(=O)C2=C1C=CC=C2 W18450 [0,1,0,1,0,0|1,0,1]=4 643 B13R2.371 O=C1COC(=O)C2=C1C=CC=C2 C75667 [0,1,0,1,0,0|0,0,1]=3 644 B13R2.690 O=C(CC1CC1)C2=CC=CC=C2 72374 [0,1,0,1,0,0|1,0,0]=3 645 B13R2.690 O=C(NC1CC1)C2=CC=NC=C2 W13162 [0,1,0,1,0,0|2,0,0]=4 646 B13R2.5252 O=C1NCCOC2=C1C=CC=C2 71397 [0,1,0,1,0,0|1,0,0]=3 647 B13R2.5252 O=C1NCCSC2=C1C=CC=C2 81809 [0,1,0,1,0,0|1,0,0]=3 648 B13R2.32 O=C1C2=C(C=CC=C2)OC[C@@H]1Br F31375 [0,1,0,1,0,0|2,0,0]=4 649 B13R2.12159 CC1(C)NC(=O)C2=C1C=CC=C2 37674 [0,1,0,1,0,0|1,0,0]=3 650 B13R2.12159 CC1=CC(C)(C)C2=C1C=CC=C2 D93282 [0,1,0,1,0,0|2,0,0]=4 651 B13R2.12159 C[C@@H]1NS(=O)(=O)C2=C1C=CC=C2 AC1801 [0,1,0,1,0,0|2,0,0]=4 652 B13R2.18 NC1=C(C2=NCCO2)C=CC=C1 AB11149 [0,1,0,1,0,0|1,0,0]=3 653 B13R2.18 NC1=C(C2OCCO2)C=CC=C1 AB9156 [0,1,0,1,0,0|0,0,2]=4 654 B13R2.3097 CC1=C(C(=O)C2CC2)C=CC=C1 N13968 [0,1,0,1,0,0|1,0,0]=3 655 B13R2.4818 CC1=CC=CC2=C1C(=O)CCO2 I11462 [0,1,0,1,0,0|2,0,0]=4 656 B13R2.4818 CC1=CC=CC2=C1C(=O)NCC2 W15862 [0,1,0,1,0,0|1,0,0]=3 657 B13R2.4818 NC1=C2C(=O)CCCC2=CC=C1 W13328 [0,1,0,1,0,0|1,0,0]=3 658 B13R2.4818 O=C1CCCC2=CC=CC(Br)=C12 56817 [0,1,0,1,0,0|1,0,0]=3 659 B13R2.4818 O=C1CCCC2=CC=CC(Cl)=C12 58275 [0,1,0,1,0,0|1,0,0]=3 660 B13R2.4818 O=C1CCCC2=CC=CC(O)=C12 F15628 [0,1,0,1,0,0|1,0,0]=3 661 B13R2.4818 O=C1CCNC2=CC=CC(Br)=C12 80202 [0,1,0,1,0,0|2,0,0]=4 662 B13R2.4818 O=C1CCNC2=CC=CC(Cl)=C12 Y10805 [0,1,0,1,0,0|2,0,0]=4 663 B13R2.4818 O=C1CCOC2=CC=CC(Br)=C12 I11474 [0,1,0,1,0,0|2,0,0]=4 664 B13R2.4818 O=C1CCOC2=CC=CC(Cl)=C12 Y12176 [0,1,0,1,0,0|2,0,0]=4 665 B13R2.4818 O=C1CCOC2=CC=CC(F)=C12 29683 [0,1,0,1,0,0|2,0,0]=4 666 B9R1.11 CCC(=O)C1=CNC=N1 D93407 [1,0,0,0,1,0|2,0,0]=4 667 B9R1.11 CCC(=O)C1=COC=C1 N14291 [1,0,0,0,1,0|1,0,0]=3 668 B9R1.11 CCC(=O)C1=NC=CS1 F53520 [1,0,0,0,1,0|2,0,0]=4 669 B9R1.11 COC(=O)C1=CC=NS1 62854 [1,0,0,0,1,0|2,0,0]=4 670 B9R1.11 COC(=O)C1=COC=N1 22956 [1,0,0,0,1,0|2,0,0]=4 671 B9R1.11 COC(=O)C1=NC=CO1 C74629 [1,0,0,0,1,0|2,0,0]=4 672 B9R1.11 O=C(CBr)C1=CC=CO1 D79351 [1,0,0,0,1,0|2,0,0]=4 673 B9R1.11 O=C(CO)C1=CC=CO1 AC4738 [1,0,0,0,1,0|2,0,0]=4 674 B13R1.42 CCOC(=O)C#CC1=CN=CC=C1 AC6430 [0,0,0,0,0,2|1,0,0]=3 675 B13R1.42 CCOC(=O)CCC1=NC=CC=C1 AC2306 [0,0,0,0,0,2|1,0,0]=3