0 B13R2.3 C1=CC(C2=CC=NC=C2)=CC=N1 MC20512 [0,0,0,0,0,0|2,0,0]=2 1 B13R2.3 C1=CC=C(C2=CC=CC=C2)C=C1 MC440435 [0,0,0,0,0,0|0,0,0]=0 2 B13R2.3 C1=CC=C(C2=CC=CN=N2)C=C1 CS22399 [0,0,0,0,0,0|2,0,0]=2 3 B13R2.3 C1=CC=C(C2=CCOCC2)C=C1 MC113029 [0,0,0,0,0,0|1,0,3]=4 4 B13R2.3 C1=CC=C(C2=NC=CC=C2)C=C1 CS11547 [0,0,0,0,0,0|1,0,0]=1 5 B13R2.3 C1=CN=C(C2=NC=CC=C2)C=C1 CS13333 [0,0,0,0,0,0|2,0,0]=2 6 B13R2.3 C1=CN=C(C2=NC=CC=N2)N=C1 CS20963 [0,0,0,0,0,0|4,0,0]=4 7 B13R2.3 c1ccc(-c2ccccn2)cc1 MC114970 [0,0,0,0,0,0|1,0,0]=1 8 B13R2.3 c1ccc(-c2ccccn2)cc1 MC445014 [0,0,0,0,0,0|1,0,0]=1 9 B13R2.3 c1ccc(-c2ccccn2)nc1 MC444916 [0,0,0,0,0,0|2,0,0]=2 10 B13R2.3 c1ccc(-c2ccccn2)nc1 MC444974 [0,0,0,0,0,0|2,0,0]=2 11 B13R2.3 c1ccc(-c2ccccn2)nc1 MC444975 [0,0,0,0,0,0|2,0,0]=2 12 B14R2.21 BrC1=CC=CC(C2=CC=CC=C2)=C1 MC440338 [0,1,0,0,0,0|0,0,0]=1 13 B14R2.21 BrC1=CC=CC(C2=CC=CN=C2)=N1 MC431787 [0,1,0,0,0,0|2,0,0]=3 14 B14R2.21 BrC1=CC=CC(C2=NC=CC=C2)=C1 CS20850 [0,1,0,0,0,0|1,0,0]=2 15 B14R2.21 BrC1=NC(C2=CC=CC=C2)=CC=C1 MC425718 [0,1,0,0,0,0|1,0,0]=2 16 B14R2.21 BrC1=NC=CC(C2=CC=CC=C2)=C1 CS21366 [0,1,0,0,0,0|1,0,0]=2 17 B14R2.21 CC1=CC(C2=CC=CC=C2)=CC=C1 MC440439 [0,1,0,0,0,0|0,0,0]=1 18 B14R2.21 CC1=CC(C2=CC=CC=C2)=CN=C1 MC425429 [0,1,0,0,0,0|1,0,0]=2 19 B14R2.21 CC1=CC(C2=NC=CC=C2)=CC=C1 CS17337 [0,1,0,0,0,0|1,0,0]=2 20 B14R2.21 ClC1=NC(C2=CC=CC=C2)=NC=C1 MC444336 [0,1,0,0,0,0|2,0,0]=3 21 B14R2.21 ClC1=NC=CC(C2=CC=CC=C2)=C1 CS21454 [0,1,0,0,0,0|1,0,0]=2 22 B14R2.21 ClC1=NC=CC(C2=CC=NC=C2)=C1 CS16328 [0,1,0,0,0,0|2,0,0]=3 23 B14R2.21 IC1=CC=CC(C2=CC=CC=C2)=C1 MC440140 [0,1,0,0,0,0|0,0,0]=1 24 B14R2.21 NC1=CC(C2=CC=CC=C2)=CN=C1 CS18231 [0,1,0,0,0,0|1,0,0]=2 25 B14R2.21 NC1=CC(C2=CC=CC=C2)=NC=C1 CS18164 [0,1,0,0,0,0|1,0,0]=2 26 B14R2.21 NC1=CC(C2=CC=CN=C2)=CC=C1 CS22404 [0,1,0,0,0,0|1,0,0]=2 27 B14R2.21 NC1=CC(C2=NC=CC=C2)=CC=C1 CS20847 [0,1,0,0,0,0|1,0,0]=2 28 B14R2.21 NC1=CC(C2=NC=CC=C2)=CC=C1 MC444610 [0,1,0,0,0,0|1,0,0]=2 29 B14R2.21 NC1=CC=CC(C2=CC=CC=C2)=C1 MC440395 [0,1,0,0,0,0|0,0,0]=1 30 B14R2.21 NC1=CC=CC([N+]2=CC=CC=C2)=C1 CS18080 [0,1,0,0,0,0|1,0,0]=2 31 B14R2.21 NC1=NC(C2=CC=CC=C2)=CC=C1 CS18288 [0,1,0,0,0,0|1,0,0]=2 32 B14R2.21 NC1=NC(C2=CC=CC=C2)=CN=C1 MC443513 [0,1,0,0,0,0|2,0,0]=3 33 B14R2.21 NC1=NC(C2=CC=CN=C2)=NC=C1 MC425235 [0,1,0,0,0,0|3,0,0]=4 34 B14R2.21 NC1=NC(C2=CC=NC=C2)=NC=C1 MC425229 [0,1,0,0,0,0|3,0,0]=4 35 B14R2.21 NC1=NC=CC(C2=CC=CC=C2)=C1 CS18394 [0,1,0,0,0,0|1,0,0]=2 36 B14R2.21 NC1=NC=CC(C2=CC=CN=C2)=C1 CS17695 [0,1,0,0,0,0|2,0,0]=3 37 B14R2.21 NC1=NC=CC(C2=CC=NC=C2)=C1 MC427409 [0,1,0,0,0,0|2,0,0]=3 38 B14R2.21 OC1=NC=CC(C2=CC=CC=C2)=C1 CS21589 [0,1,0,0,0,0|1,0,0]=2 39 B14R2.24 BrC1=C(C2=CC=CC=C2)C=CC=C1 CS21390 [0,1,0,0,0,0|0,0,0]=1 40 B14R2.24 BrC1=C(C2=CC=CC=C2)C=NC=C1 MC430396 [0,1,0,0,0,0|1,0,0]=2 41 B14R2.24 BrC1=CC=CN=C1C2=CC=CC=C2 CS22141 [0,1,0,0,0,0|1,0,0]=2 42 B14R2.24 BrC1=NC=CC=C1C2=CC=CC=C2 MC432310 [0,1,0,0,0,0|1,0,0]=2 43 B14R2.24 CC1=C(C2=CC=CC=C2)C=NC=C1 MC443169 [0,1,0,0,0,0|1,0,0]=2 44 B14R2.24 CC1=CC=CN=C1C2=CC=CC=C2 MC445619 [0,1,0,0,0,0|1,0,0]=2 45 B14R2.24 IC1=C(C2=CC=CC=C2)C=CC=C1 MC446608 [0,1,0,0,0,0|0,0,0]=1 46 B14R2.24 NC1=C(C2=CC=CC=C2)C=NC=C1 MC430354 [0,1,0,0,0,0|1,0,0]=2 47 B14R2.24 NC1=CC=CC=C1C2=CC=CC=C2 CS16247 [0,1,0,0,0,0|0,0,0]=1 48 B14R2.24 NC1=NC=CC=C1C2=CC=CC=C2 CS18524 [0,1,0,0,0,0|1,0,0]=2 49 B14R2.24 OC1=C(C2=CC=CC=C2)C=CC=C1 MC20471 [0,1,0,0,0,0|0,0,0]=1 50 B14R2.24 OC1=C(C2=CC=CC=C2)C=CN=C1 MC111105 [0,1,0,0,0,0|1,0,0]=2 51 B14R2.24 OC1=CC=CN=C1C2=CC=CC=C2 MC115932 [0,1,0,0,0,0|1,0,0]=2 52 B14R2.24 OC1=CC=CN=C1C2=NC=CC=C2 MC431642 [0,1,0,0,0,0|2,0,0]=3 53 B14R2.24 OC1=NC=CC=C1C2=CC=CC=C2 CS21579 [0,1,0,0,0,0|1,0,0]=2 54 B14R2.24 OC1=NC=CN=C1C2=CC=CC=C2 MC111008 [0,1,0,0,0,0|2,0,0]=3 55 B14R2.24 [O-]C1=CC=CC=C1C2=CC=CC=C2 CS11082 [0,1,0,0,0,0|0,0,0]=1 56 B14R2.68 BrC1=CC=C(C2=CC=CC=C2)C=C1 CS10097 [0,1,0,0,0,0|0,0,0]=1 57 B14R2.68 BrC1=CC=C(C2=CC=CN=C2)C=C1 CS18693 [0,1,0,0,0,0|1,0,0]=2 58 B14R2.68 BrC1=CC=C(C2=CC=NC=C2)C=C1 CS15419 [0,1,0,0,0,0|1,0,0]=2 59 B14R2.68 BrC1=CC=C(C2=NC=CC=C2)C=C1 CS20863 [0,1,0,0,0,0|1,0,0]=2 60 B14R2.68 BrC1=CC=C(C2=NC=CC=N2)C=N1 CS13107 [0,1,0,0,0,0|3,0,0]=4 61 B14R2.68 BrC1=CN=C(C2=CC=CC=C2)N=C1 MC441128 [0,1,0,0,0,0|2,0,0]=3 62 B14R2.68 BrC1=CN=C(C2=CC=CN=C2)C=C1 MC429913 [0,1,0,0,0,0|2,0,0]=3 63 B14R2.68 CC1=CC=C(C2=CC=CC=C2)C=C1 MC440438 [0,1,0,0,0,0|0,0,0]=1 64 B14R2.68 CC1=CC=C(C2=NC=CC=C2)C=C1 MC440666 [0,1,0,0,0,0|1,0,0]=2 65 B14R2.68 ClC1=CC=C(C2=CC=CC=C2)C=C1 CS11777 [0,1,0,0,0,0|0,0,0]=1 66 B14R2.68 ClC1=CC=C(C2=CC=CC=C2)N=N1 CS11265 [0,1,0,0,0,0|2,0,0]=3 67 B14R2.68 ClC1=CC=C(C2=CC=NC=C2)C=C1 CS18387 [0,1,0,0,0,0|1,0,0]=2 68 B14R2.68 ClC1=CC=C(C2=CC=NC=C2)C=N1 MC100340 [0,1,0,0,0,0|2,0,0]=3 69 B14R2.68 ClC1=NC=C(C2=CC=CC=C2)C=C1 MC113743 [0,1,0,0,0,0|1,0,0]=2 70 B14R2.68 ClC1=NC=C(C2=CC=CC=C2)C=N1 MC110630 [0,1,0,0,0,0|2,0,0]=3 71 B14R2.68 FC1=CC=C(C2=CC=CC=C2)C=C1 MC20470 [0,1,0,0,0,0|0,0,0]=1 72 B14R2.68 IC1=CC=C(C2=CC=CC=C2)C=C1 CS13772 [0,1,0,0,0,0|0,0,0]=1 73 B14R2.68 NC1=CC=C(C2=CC=CC=C2)C=C1 CS19418 [0,1,0,0,0,0|0,0,0]=1 74 B14R2.68 NC1=CC=C(C2=CC=CN=C2)C=N1 CS15417 [0,1,0,0,0,0|2,0,0]=3 75 B14R2.68 NC1=CC=C(C2=CC=CN=C2)C=N1 CS17678 [0,1,0,0,0,0|2,0,0]=3 76 B14R2.68 NC1=CC=C(C2=CC=NC=C2)C=C1 CS22470 [0,1,0,0,0,0|1,0,0]=2 77 B14R2.68 NC1=CC=C(C2=NC=CC=C2)C=C1 CS22435 [0,1,0,0,0,0|1,0,0]=2 78 B14R2.68 NC1=CC=C(C2=NC=CC=C2)C=N1 CS17273 [0,1,0,0,0,0|2,0,0]=3 79 B14R2.68 NC1=CC=C([N+]2=CC=CC=C2)C=C1 CS18079 [0,1,0,0,0,0|1,0,0]=2 80 B14R2.68 NC1=NC=C(C2=CC=CC=C2)C=C1 CS18244 [0,1,0,0,0,0|1,0,0]=2 81 B14R2.68 NC1=NC=C(C2=NC=CN=C2)C=C1 MC102947 [0,1,0,0,0,0|3,0,0]=4 82 B14R2.68 O=C1C=CC(C2=CC=CC=C2)=NN1 CS10761 [0,1,0,0,0,0|2,0,0]=3 83 B14R2.68 O=C1C=CC(C2=NC=CC=C2)=CN1 MC425828 [0,1,0,0,0,0|2,0,0]=3 84 B14R2.68 OC1=CC=C(C2=CC=CC=C2)C=C1 MC41211 [0,1,0,0,0,0|0,0,0]=1 85 B14R2.68 OC1=CC=C(C2=NC=CC=C2)C=C1 CS16270 [0,1,0,0,0,0|1,0,0]=2 86 B14R2.68 OC1=NC=C(C2=CC=CC=C2)C=C1 MC432138 [0,1,0,0,0,0|1,0,0]=2 87 B14R3.2 C1=CC=C2C(=C1)C3=C2C=CC=C3 MC113890 [0,0,0,1,0,0|0,0,0]=1 88 B12R2.2 C1=CC(C2=CSC=C2)=NC=N1 MC443663 [0,0,0,0,1,0|3,0,0]=4 89 B12R2.2 C1=CC=C(C2=CC=CN2)C=C1 MC443684 [0,0,0,0,1,0|1,0,0]=2 90 B12R2.2 C1=CC=C(C2=CC=CO2)C=C1 MC114862 [0,0,0,0,1,0|1,0,0]=2 91 B12R2.2 C1=CC=C(C2=CC=CS2)C=C1 CS21744 [0,0,0,0,1,0|1,0,0]=2 92 B12R2.2 C1=CC=C(C2=CN=CO2)C=C1 CS10486 [0,0,0,0,1,0|2,0,0]=3 93 B12R2.2 C1=CC=C(C2=CN=CS2)C=C1 CS16261 [0,0,0,0,1,0|2,0,0]=3 94 B12R2.2 C1=CC=C(C2=CNN=C2)C=C1 MC441028 [0,0,0,0,1,0|2,0,0]=3 95 B12R2.2 C1=CC=C(C2=NC=CN2)C=C1 MC442291 [0,0,0,0,1,0|2,0,0]=3 96 B12R2.2 C1=CC=C(C2=NC=CO2)C=C1 CS12838 [0,0,0,0,1,0|2,0,0]=3 97 B12R2.2 C1=CC=C(C2=NNC=C2)C=C1 MC31101 [0,0,0,0,1,0|2,0,0]=3 98 B12R2.2 C1=CC=C(N2C=CC=N2)C=C1 CS20795 [0,0,0,0,1,0|2,0,0]=3 99 B12R2.2 C1=CC=C(N2C=NN=C2)C=C1 MC33340 [0,0,0,0,1,0|3,0,0]=4 100 B12R2.2 C1=CN=C(C2=CNC=N2)C=C1 MC103054 [0,0,0,0,1,0|3,0,0]=4 101 B12R2.2 C1=CN=C(C2=NNC=C2)C=C1 CS20822 [0,0,0,0,1,0|3,0,0]=4 102 B12R2.2 C1=CN=C(N2C=CC=N2)C=C1 MC425202 [0,0,0,0,1,0|3,0,0]=4 103 B12R2.2 C1=CN=CC(C2=NC=CN2)=C1 MC443655 [0,0,0,0,1,0|3,0,0]=4 104 B12R2.2 C1=CN=CC(C2=NC=CS2)=C1 MC443555 [0,0,0,0,1,0|3,0,0]=4 105 B14R2.6 C1=CC=C(OC2=CC=CC=C2)C=C1 MC41395 [0,0,0,0,0,1|0,0,0]=1 106 B14R2.6 C1=CC=C(OC2=CC=CN=C2)C=C1 CS22395 [0,0,0,0,0,1|1,0,0]=2 107 B14R2.6 C1=CC=C(OC2=CC=NC=C2)C=C1 CS19081 [0,0,0,0,0,1|1,0,0]=2 108 B14R2.6 C1=CC=C(PC2=CC=CC=C2)C=C1 MC440456 [0,0,0,0,0,1|0,0,0]=1 109 B14R2.6 C1=CC=C(SC2=CC=CC=C2)C=C1 MC40417 [0,0,0,0,0,1|0,0,0]=1 110 B14R2.6 C1=CC=C([I+]C2=CC=CC=C2)C=C1 MC426107 [0,0,0,0,0,1|0,0,0]=1 111 B14R2.6 C1=CN=CC(NC2=NC=CC=C2)=C1 MC107753 [0,0,0,0,0,1|2,0,0]=3 112 B14R2.6 c1ccc(Nc2ncccn2)cc1 MC10095 [0,0,0,0,0,1|2,0,0]=3 113 B14R2.6 c1ccc([I+]c2ccccc2)cc1 MC440254 [0,0,0,0,0,1|0,0,0]=1 114 B13R2.10 BrC1=CC=C(C2=CC=CC=C2)S1 MC440215 [0,1,0,0,1,0|1,0,0]=3 115 B13R2.10 BrC1=CN(C2=CC=CC=C2)N=C1 CS22626 [0,1,0,0,1,0|2,0,0]=4 116 B13R2.10 BrC1=CN=C(C2=CC=CC=C2)O1 CS10282 [0,1,0,0,1,0|2,0,0]=4 117 B13R2.10 BrC1=CN=C(C2=CC=CC=C2)S1 MC443781 [0,1,0,0,1,0|2,0,0]=4 118 B13R2.10 BrC1=CSC(C2=CC=CC=C2)=N1 MC442709 [0,1,0,0,1,0|2,0,0]=4 119 B13R2.10 BrC1=NC=C(C2=CC=CC=C2)O1 CS21380 [0,1,0,0,1,0|2,0,0]=4 120 B13R2.10 CC1=NN(C2=CC=CC=C2)C=C1 MC106504 [0,1,0,0,1,0|2,0,0]=4 121 B13R2.10 CN1C=NC(C2=CC=CC=C2)=C1 MC111431 [0,1,0,0,1,0|2,0,0]=4 122 B13R2.10 ClC1=CC(C2=CC=CC=C2)=NO1 MC105793 [0,1,0,0,1,0|2,0,0]=4 123 B13R2.10 IC1=CC=C(C2=CC=CC=C2)S1 MC440214 [0,1,0,0,1,0|1,0,0]=3 124 B13R2.10 IC1=CN(C2=CC=CC=C2)C=N1 MC430810 [0,1,0,0,1,0|2,0,0]=4 125 B13R2.10 NC1=NC(C2=CC=CC=C2)=CO1 MC21050 [0,1,0,0,1,0|2,0,0]=4 126 B13R2.10 NC1=NC=C(C2=CC=CC=C2)S1 CS10579 [0,1,0,0,1,0|2,0,0]=4 127 B13R2.10 O=C1NC(C2=CC=CC=C2)=CS1 MC103859 [0,1,0,0,1,0|2,0,0]=4 128 B13R2.10 OC1=CSC(C2=CC=CC=C2)=N1 MC100015 [0,1,0,0,1,0|2,0,0]=4 129 B13R2.12 BrC1=CC=C(C2=CC=NN2)C=C1 MC442363 [0,1,0,0,1,0|2,0,0]=4 130 B13R2.12 BrC1=CC=C(C2=CNN=C2)C=C1 MC430545 [0,1,0,0,1,0|2,0,0]=4 131 B13R2.12 BrC1=CC=C(C2=NC=CN2)C=C1 MC441043 [0,1,0,0,1,0|2,0,0]=4 132 B13R2.12 BrC1=CC=C(C2=NC=CS2)C=C1 MC445676 [0,1,0,0,1,0|2,0,0]=4 133 B13R2.12 BrC1=CC=C(N2C=CC=C2)C=C1 MC425524 [0,1,0,0,1,0|1,0,0]=3 134 B13R2.12 CC1=CC=C(C2=NC=CN2)C=C1 MC442678 [0,1,0,0,1,0|2,0,0]=4 135 B13R2.12 CC1=CC=C(C2=NC=CS2)C=C1 MC443647 [0,1,0,0,1,0|2,0,0]=4 136 B13R2.12 CC1=CC=C(N2C=CC=N2)C=C1 MC443359 [0,1,0,0,1,0|2,0,0]=4 137 B13R2.12 ClC1=CC=C(C2=CC=CS2)C=C1 MC115510 [0,1,0,0,1,0|1,0,0]=3 138 B13R2.12 FC1=CC=C(C2=CC=NN2)C=C1 MC20550 [0,1,0,0,1,0|2,0,0]=4 139 B13R2.12 NC1=CC=C(C2=CC=CS2)C=C1 MC425756 [0,1,0,0,1,0|1,0,0]=3 140 B13R2.12 NC1=CC=C(C2=CN=CO2)C=C1 MC429911 [0,1,0,0,1,0|2,0,0]=4 141 B13R2.12 NC1=CC=C(C2=NC=CS2)C=C1 CS15572 [0,1,0,0,1,0|2,0,0]=4 142 B13R2.12 NC1=CC=C(N2C=CC=N2)C=C1 CS18055 [0,1,0,0,1,0|2,0,0]=4 143 B13R2.12 NC1=CC=C(N2C=CN=C2)C=C1 CS13960 [0,1,0,0,1,0|2,0,0]=4 144 B13R2.12 OC1=CC=C(N2C=CN=C2)C=C1 MC41720 [0,1,0,0,1,0|2,0,0]=4 145 B13R2.13 BrC1=CC=CC(C2=CC=NN2)=C1 MC442364 [0,1,0,0,1,0|2,0,0]=4 146 B13R2.13 BrC1=CC=CC(C2=CC=NO2)=C1 MC443544 [0,1,0,0,1,0|2,0,0]=4 147 B13R2.13 BrC1=CC=CC(C2=COC=N2)=C1 MC442218 [0,1,0,0,1,0|2,0,0]=4 148 B13R2.13 BrC1=CC=CC(C2=NC=CN2)=C1 MC106775 [0,1,0,0,1,0|2,0,0]=4 149 B13R2.13 BrC1=CC=CC(N2C=CC=N2)=C1 CS18221 [0,1,0,0,1,0|2,0,0]=4 150 B13R2.13 CC1=CC(C2=CNN=C2)=CC=C1 CS18093 [0,1,0,0,1,0|2,0,0]=4 151 B13R2.13 CC1=CC(C2=NNC=C2)=CC=C1 CS18094 [0,1,0,0,1,0|2,0,0]=4 152 B13R2.13 NC1=CC(N2C=CC=N2)=CC=C1 MC425456 [0,1,0,0,1,0|2,0,0]=4 153 B13R2.15 BrC1=C(C2=CC=CC=C2)OC=N1 MC115974 [0,1,0,0,1,0|2,0,0]=4 154 B13R2.15 CC1=NNC=C1C2=CC=CC=C2 MC441027 [0,1,0,0,1,0|2,0,0]=4 155 B13R2.15 CN1N=CC=C1C2=CC=CC=C2 CS15590 [0,1,0,0,1,0|2,0,0]=4 156 B13R2.15 IC1=CC=NN1C2=CC=CC=C2 MC431767 [0,1,0,0,1,0|2,0,0]=4 157 B13R2.18 BrC1=C(C2=NC=CO2)C=CC=C1 CS20834 [0,1,0,0,1,0|2,0,0]=4 158 B15R2.29 BrC1=CC=C(NC2=CC=CC=C2)C=C1 CS22680 [0,1,0,0,0,1|0,0,0]=2 159 B15R2.29 BrC1=CC=C(OC2=CC=CC=C2)C=C1 CS22679 [0,1,0,0,0,1|0,0,0]=2 160 B15R2.29 BrC1=CN=C(OC2=CC=CC=C2)C=C1 CS13020 [0,1,0,0,0,1|1,0,0]=3 161 B15R2.29 BrC1=CN=C(OC2=CC=CC=C2)N=C1 CS10280 [0,1,0,0,0,1|2,0,0]=4 162 B15R2.29 CC1=CC=C(OC2=CC=CC=C2)C=C1 CS20766 [0,1,0,0,0,1|0,0,0]=2 163 B15R2.29 Cc1ccc(Nc2ccccc2)cc1 CS11831 [0,1,0,0,0,1|0,0,0]=2 164 B15R2.29 ClC1=CC=C(OC2=CC=CC=C2)C=C1 MC20068 [0,1,0,0,0,1|0,0,0]=2 165 B15R2.29 NC1=CC=C(CC2=CC=CC=C2)C=C1 MC433264 [0,1,0,0,0,1|0,0,0]=2 166 B15R2.29 NC1=CC=C(OC2=CC=CN=C2)C=C1 CS12451 [0,1,0,0,0,1|1,0,0]=3 167 B15R2.29 NC1=CC=C(OC2=CC=NC=C2)C=C1 MC425731 [0,1,0,0,0,1|1,0,0]=3 168 B15R2.29 OC1=CC=C(OC2=CC=CC=C2)C=C1 MC20953 [0,1,0,0,0,1|0,0,0]=2 169 B15R2.31 BrC1=CC(OC2=CC=CC=C2)=CC=C1 MC41468 [0,1,0,0,0,1|0,0,0]=2 170 B15R2.31 CC1=CC(OC2=CC=CC=C2)=CC=C1 MC41524 [0,1,0,0,0,1|0,0,0]=2 171 B15R2.31 Cc1cccc(Nc2ccccc2)c1 CS11830 [0,1,0,0,0,1|0,0,0]=2 172 B15R2.31 ClC1=NC=NC(OC2=CC=CC=C2)=C1 CS12324 [0,1,0,0,0,1|2,0,0]=4 173 B15R2.31 NC1=CC=CC(NC2=CC=CC=C2)=C1 CS16106 [0,1,0,0,0,1|0,0,0]=2 174 B15R2.31 OC1=CC(CC2=CC=CC=C2)=CC=C1 CS19745 [0,1,0,0,0,1|0,0,0]=2 175 B15R2.38 Brc1ccccc1Nc2ccccc2 MC440612 [0,1,0,0,0,1|0,0,0]=2 176 B15R2.38 NC1=CC=CC=C1SC2=CC=CC=C2 MC20575 [0,1,0,0,0,1|0,0,0]=2 177 B15R2.38 NC1=NC=CC=C1OC2=CC=CC=C2 CS17614 [0,1,0,0,0,1|1,0,0]=3 178 B15R2.38 OC1=C(CC2=CC=CC=C2)C=CC=C1 CS14092 [0,1,0,0,0,1|0,0,0]=2 179 B15R2.2226 BrC(C1=CC=CC=C1)C2=CC=CC=C2 MC20802 [0,1,0,0,0,1|0,0,0]=2 180 B15R2.2226 C=C(C1=CC=CC=C1)C2=CC=CC=C2 MC434064 [0,1,0,0,0,1|0,0,0]=2 181 B15R2.2226 CP(c1ccccc1)c2ccccc2 MC444843 [0,1,0,0,0,1|0,0,0]=2 182 B15R2.2226 CP(c1ccccc1)c2ccccc2 MC444930 [0,1,0,0,0,1|0,0,0]=2 183 B15R2.2226 N=C(C1=CC=CC=C1)C2=CC=CC=C2 CS10990 [0,1,0,0,0,1|0,0,0]=2 184 B15R2.2226 NC(C1=CC=CC=C1)C2=CC=CC=C2 CS20006 [0,1,0,0,0,1|0,0,0]=2 185 B15R2.2226 NC(C1=CC=CC=C1)C2=NC=CC=C2 CS12986 [0,1,0,0,0,1|1,0,0]=3 186 B15R2.2226 NC(C1=NC=CC=C1)C2=NC=CC=C2 MC427433 [0,1,0,0,0,1|2,0,0]=4 187 B15R2.2226 N[NH+](C1=CC=CC=C1)C2=CC=CC=C2 MC20411 [0,1,0,0,0,1|0,0,0]=2 188 B15R2.2226 O=C(C1=CC=CC=C1)C2=CC=CC=C2 MC41292 [0,1,0,0,0,1|0,0,0]=2 189 B15R2.2226 O=C(C1=CC=CC=C1)C2=CC=CN=C2 CS19945 [0,1,0,0,0,1|1,0,0]=3 190 B15R2.2226 O=C(C1=NC=CC=C1)C2=NC=CC=C2 CS11214 [0,1,0,0,0,1|2,0,0]=4 191 B15R2.2226 O=S(C1=CC=CC=C1)C2=CC=CC=C2 CS11269 [0,1,0,0,0,1|0,0,0]=2 192 B15R2.2226 O=[PH](C1=CC=CC=C1)C2=CC=CC=C2 MC440611 [0,1,0,0,0,1|0,0,0]=2 193 B15R2.2226 OC(C1=CC=CC=C1)C2=CC=CC=C2 CS16259 [0,1,0,0,0,1|0,0,0]=2 194 B15R2.17 BrCC1=CC=CC(C2=CC=CC=C2)=C1 MC440440 [0,2,0,0,0,0|0,0,0]=2 195 B15R2.17 COC1=CC=CC(C2=CC=CN=C2)=C1 MC106648 [0,2,0,0,0,0|1,0,0]=3 196 B15R2.17 O=CC1=CC(C2=CC=CC=C2)=CC=C1 MC425615 [0,2,0,0,0,0|0,0,0]=2 197 B15R2.17 O=CC1=CC(C2=CC=NC=C2)=CC=C1 MC430656 [0,2,0,0,0,0|1,0,0]=3 198 B15R2.17 O=CC1=CC(C2=CN=CN=C2)=CC=C1 CS11548 [0,2,0,0,0,0|2,0,0]=4 199 B15R2.17 O=CC1=CC=CC(C2=NC=CC=C2)=N1 MC430401 [0,2,0,0,0,0|2,0,0]=4 200 B15R2.17 O=CC1=NC(C2=CC=CC=C2)=CC=C1 CS12820 [0,2,0,0,0,0|1,0,0]=3 201 B15R2.17 OCC1=CC(C2=CC=CC=C2)=CN=C1 MC425435 [0,2,0,0,0,0|1,0,0]=3 202 B15R2.27 BrC1=CC(Br)=CC(C2=CC=CC=C2)=C1 MC445610 [0,2,0,0,0,0|0,0,0]=2 203 B15R2.27 ClC1=CC(Cl)=NC(C2=CC=CC=C2)=N1 CS14227 [0,2,0,0,0,0|2,0,0]=4 204 B15R2.27 ClC1=NC(Cl)=NC(C2=CC=CC=C2)=C1 MC425530 [0,2,0,0,0,0|2,0,0]=4 205 B15R2.27 O=C1C=C(C2=CC=CC=C2)N=C(S)N1 MC41721 [0,2,0,0,0,0|2,0,0]=4 206 B15R2.28 BrC1=CC=CC(C2=CC=C(I)C=C2)=C1 MC440393 [0,2,0,0,0,0|0,0,0]=2 207 B15R2.28 CC1=NC=C(C2=CC(F)=CC=C2)C=C1 MC430114 [0,2,0,0,0,0|1,0,0]=3 208 B15R2.28 ClC1=CC=C(C2=CC(Cl)=NC=N2)C=C1 MC443793 [0,2,0,0,0,0|2,0,0]=4 209 B15R2.28 NC1=CC(C2=NC=C(Br)C=N2)=CC=C1 MC112028 [0,2,0,0,0,0|2,0,0]=4 210 B15R2.28 NC1=CC=CC(C2=CC=C(F)C=C2)=C1 MC433557 [0,2,0,0,0,0|0,0,0]=2 211 B15R2.30 BrC1=CC(C2=NC=CC(Br)=C2)=NC=C1 MC440126 [0,2,0,0,0,0|2,0,0]=4 212 B15R2.30 BrC1=CC=CC(C2=CC(Br)=CC=C2)=C1 MC105756 [0,2,0,0,0,0|0,0,0]=2 213 B15R2.30 BrC1=CC=CC(C2=CC(I)=CC=C2)=C1 MC440566 [0,2,0,0,0,0|0,0,0]=2 214 B15R2.30 CC1=CC=CC(C2=NC(C)=CC=C2)=N1 CS10593 [0,2,0,0,0,0|2,0,0]=4 215 B15R2.30 CC1=NC=CC(C2=CC(N)=CC=C2)=N1 MC430041 [0,2,0,0,0,0|2,0,0]=4 216 B15R2.30 ClC1=CC=CC(C2=CC(Br)=CC=C2)=C1 MC425781 [0,2,0,0,0,0|0,0,0]=2 217 B15R2.30 ClC1=CC=CC(C2=CC(Cl)=CC=C2)=C1 MC440497 [0,2,0,0,0,0|0,0,0]=2 218 B15R2.30 NC1=CC=CC(C2=NC(N)=CC=C2)=N1 MC100032 [0,2,0,0,0,0|2,0,0]=4 219 B15R2.30 OC1=CC(C2=NC(Cl)=NC=C2)=CC=C1 MC107483 [0,2,0,0,0,0|2,0,0]=4 220 B15R2.33 BrC1=CC(C2=CC=CC=C2)=C(Br)C=C1 MC446611 [0,2,0,0,0,0|0,0,0]=2 221 B15R2.33 BrC1=CC(C2=CC=CC=C2)=C(I)C=C1 MC446614 [0,2,0,0,0,0|0,0,0]=2 222 B15R2.33 CC1=CN(C2=CC=CC=C2)C(=O)C=C1 CS18350 [0,2,0,0,0,0|1,0,0]=3 223 B15R2.33 ClC1=CC(C2=CC=CC=C2)=C(Cl)N=N1 MC106764 [0,2,0,0,0,0|2,0,0]=4 224 B15R2.33 ClC1=NC=C(Br)C(C2=CC=CC=C2)=N1 MC106231 [0,2,0,0,0,0|2,0,0]=4 225 B15R2.33 NC1=NC=C(Br)C(C2=CC=CC=C2)=N1 CS13149 [0,2,0,0,0,0|2,0,0]=4 226 B15R2.33 OC1=CC(C2=CC=CC=C2)=C(O)N=N1 MC106765 [0,2,0,0,0,0|2,0,0]=4 227 B15R2.332 BrC1=CC=CC(C2=C(Br)C=CC=C2)=C1 MC446609 [0,2,0,0,0,0|0,0,0]=2 228 B15R2.332 ClC1=CC=CC(C2=C(Br)C=CC=C2)=C1 MC446612 [0,2,0,0,0,0|0,0,0]=2 229 B15R2.332 ClC1=NC=CC(C2=CC=CN=C2Cl)=C1 MC100343 [0,2,0,0,0,0|2,0,0]=4 230 B15R2.332 FC1=C(C2=NC=CC(Br)=C2)C=CC=C1 MC110582 [0,2,0,0,0,0|1,0,0]=3 231 B15R2.21 CNC1=CC=CC=C1C2=CC=CC=C2 CS12948 [0,2,0,0,0,0|0,0,0]=2 232 B15R2.21 O=CC1=C(C2=CC=NC=C2)C=CC=C1 MC20203 [0,2,0,0,0,0|1,0,0]=3 233 B15R2.21 O=CC1=C(C2=CN=CN=C2)C=CC=C1 MC20202 [0,2,0,0,0,0|2,0,0]=4 234 B15R2.308 BrC1=CC=C(C2=C(Br)C=CC=C2)C=C1 MC446610 [0,2,0,0,0,0|0,0,0]=2 235 B15R2.308 NC1=C(C2=CC=C(Br)C=C2)C=CC=C1 MC111936 [0,2,0,0,0,0|0,0,0]=2 236 B15R2.308 NC1=CC=C(N2C=CC=CC2=O)C=C1 CS12880 [0,2,0,0,0,0|1,0,0]=3 237 B15R2.389 BrC1=CC(Br)=C(C2=CC=CC=C2)C=C1 CS21074 [0,2,0,0,0,0|0,0,0]=2 238 B15R2.389 ClC1=CC(Br)=C(C2=CC=CC=C2)C=C1 MC440144 [0,2,0,0,0,0|0,0,0]=2 239 B15R2.389 FC1=C(C2=CC=CC=C2)C=CC(Br)=C1 CS11765 [0,2,0,0,0,0|0,0,0]=2 240 B15R2.389 FC1=CC(F)=C(C2=NC=CC=C2)C=C1 CS20827 [0,2,0,0,0,0|1,0,0]=3 241 B15R2.541 BrC1=CC=CC(Br)=C1C2=CC=CC=C2 MC431658 [0,2,0,0,0,0|0,0,0]=2 242 B15R2.555 BrC1=C(C2=C(Br)C=CC=C2)C=CC=C1 CS20967 [0,2,0,0,0,0|0,0,0]=2 243 B15R2.555 BrC1=C(C2=C(I)C=CC=C2)C=CC=C1 MC440562 [0,2,0,0,0,0|0,0,0]=2 244 B15R2.555 ClC1=C(C2=C(Cl)C=CN=C2)C=NC=C1 MC440122 [0,2,0,0,0,0|2,0,0]=4 245 B15R2.555 FC1=C(C2=C(F)C=CC=C2)C=CC=C1 MC433558 [0,2,0,0,0,0|0,0,0]=2 246 B15R2.1 BrCC1=CC=C(C2=CC=CC=C2)C=C1 CS22690 [0,2,0,0,0,0|0,0,0]=2 247 B15R2.1 BrCC1=CC=C(C2=NC=CC=C2)C=C1 CS14045 [0,2,0,0,0,0|1,0,0]=3 248 B15R2.1 C#CC1=CC=C(C2=CC=CC=C2)C=C1 CS11956 [0,2,0,0,0,0|0,0,0]=2 249 B15R2.1 COC1=CC=C(C2=CC=NC=C2)C=C1 CS18385 [0,2,0,0,0,0|1,0,0]=3 250 B15R2.1 ClCC1=CN=C(C2=CC=CC=C2)C=C1 MC429677 [0,2,0,0,0,0|1,0,0]=3 251 B15R2.1 N#CC1=CC=C(C2=CC=CC=C2)C=C1 MC40676 [0,2,0,0,0,0|0,0,0]=2 252 B15R2.1 N#CC1=CN=C(C2=NC=CC=C2)C=C1 MC432306 [0,2,0,0,0,0|2,0,0]=4 253 B15R2.1 NCC1=CC=C(C2=NC=CC=C2)C=C1 CS17737 [0,2,0,0,0,0|1,0,0]=3 254 B15R2.1 NCC1=CC=C([N+]2=CC=CC=C2)C=C1 CS18081 [0,2,0,0,0,0|1,0,0]=3 255 B15R2.1 O=CC1=CC=C(C2=CC=CC=C2)C=C1 MC20441 [0,2,0,0,0,0|0,0,0]=2 256 B15R2.1 O=CC1=CC=C(C2=CC=CN=C2)C=C1 CS18692 [0,2,0,0,0,0|1,0,0]=3 257 B15R2.1 O=CC1=CC=C(C2=CC=NC=C2)C=C1 CS11783 [0,2,0,0,0,0|1,0,0]=3 258 B15R2.1 O=CC1=CC=C(C2=NC=CC=C2)C=C1 CS21949 [0,2,0,0,0,0|1,0,0]=3 259 B15R2.1 O=CC1=CC=C(C2=NC=CC=N2)C=C1 CS22471 [0,2,0,0,0,0|2,0,0]=4 260 B15R2.1 O=CC1=CN=C(C2=CC=CC=C2)C=C1 MC429678 [0,2,0,0,0,0|1,0,0]=3 261 B15R2.1 OCC1=CC=C(C2=CC=CC=C2)N=C1 MC429679 [0,2,0,0,0,0|1,0,0]=3 262 B15R2.3 BrC1=CC=C(C2=CC=C(Br)C=C2)C=C1 MC20472 [0,2,0,0,0,0|0,0,0]=2 263 B15R2.3 BrC1=CC=C(C2=CC=C(Br)N=C2)C=N1 MC100341 [0,2,0,0,0,0|2,0,0]=4 264 B15R2.3 BrC1=CC=C(C2=CC=C(I)C=C2)C=C1 MC440442 [0,2,0,0,0,0|0,0,0]=2 265 B15R2.3 BrC1=CN=C(C2=NC=C(Br)C=C2)C=C1 MC106707 [0,2,0,0,0,0|2,0,0]=4 266 B15R2.3 CC1=CC=C(C2=CC=C(Br)C=C2)C=C1 MC440443 [0,2,0,0,0,0|0,0,0]=2 267 B15R2.3 CC1=CC=C(C2=CC=C(I)C=C2)C=C1 MC20478 [0,2,0,0,0,0|0,0,0]=2 268 B15R2.3 CC1=CC=C(C2=CC=C(N)C=C2)C=C1 MC440143 [0,2,0,0,0,0|0,0,0]=2 269 B15R2.3 ClC1=CC=C(C2=CC=C(Br)C=C2)C=C1 MC446613 [0,2,0,0,0,0|0,0,0]=2 270 B15R2.3 ClC1=CC=C(C2=CC=C(Cl)C=C2)C=C1 MC432122 [0,2,0,0,0,0|0,0,0]=2 271 B15R2.3 ClC1=CC=C(C2=CC=C(Cl)N=C2)C=N1 MC100342 [0,2,0,0,0,0|2,0,0]=4 272 B15R2.3 FC1=CC=C(C2=CC=C(F)C=C2)C=C1 MC433114 [0,2,0,0,0,0|0,0,0]=2 273 B15R2.3 FC1=CC=C(C2=CC=C(I)C=C2)C=C1 MC430774 [0,2,0,0,0,0|0,0,0]=2 274 B15R2.3 IC1=CC=C(C2=CC=C(I)C=C2)C=C1 CS11770 [0,2,0,0,0,0|0,0,0]=2 275 B15R2.3 NC1=CC=C(C2=CC=C(F)C=C2)C=C1 MC430925 [0,2,0,0,0,0|0,0,0]=2 276 B15R2.3 OC1=CC=C(C2=CC=C(F)C=C2)C=C1 MC433158 [0,2,0,0,0,0|0,0,0]=2 277 B15R2.3 OC1=CC=C(C2=CC=C(I)C=C2)C=C1 MC440725 [0,2,0,0,0,0|0,0,0]=2 278 B15R2.3 OC1=CC=C(C2=CC=C(O)C=C2)C=C1 CS11581 [0,2,0,0,0,0|0,0,0]=2 279 B15R2.3 SC1=CC=C(C2=CC=C(S)C=C2)C=C1 MC428149 [0,2,0,0,0,0|0,0,0]=2 280 B13R2.1613 BrCC1=CC=CC2=CC=CC=C21 CS18965 [0,0,1,1,0,0|1,0,1]=4 281 B13R2.1613 CNC1=CC=CC2=CC=CC=C21 CS10073 [0,0,1,1,0,0|1,0,1]=4 282 B13R2.1613 COC1=CC=CC2=CC=CC=C21 CS19878 [0,0,1,1,0,0|1,0,1]=4 283 B13R2.1613 O=CC1=CC=CC2=C1C=CC=N2 CS13974 [0,0,1,1,0,0|2,0,0]=4 284 B13R2.1613 O=CC1=CC=CC2=C1C=CN=C2 MC33251 [0,0,1,1,0,0|2,0,0]=4 285 B13R2.1613 O=CC1=CC=NC2=CC=CC=C12 CS11270 [0,0,1,1,0,0|2,0,0]=4 286 B13R2.1613 O=CC1=CN=CC2=CC=CC=C21 MC442435 [0,0,1,1,0,0|2,0,0]=4 287 B13R2.1613 OCC1=CC=CC2=CC=CC=C21 CS20773 [0,0,1,1,0,0|1,0,1]=4 288 B13R2.64 C1=CC=C(NC2=CC=CS2)C=C1 MC100924 [0,0,1,1,0,0|2,0,0]=4 289 B13R2.371 BrC1=CC=C(Br)C2=CC=CC=C12 CS11241 [0,0,1,1,0,0|2,0,0]=4 290 B13R2.371 BrC1=CC=C(I)C2=CC=CC=C12 MC426177 [0,0,1,1,0,0|2,0,0]=4 291 B13R2.371 FC1=CC=C(Br)C2=CC=CC=C12 MC41764 [0,0,1,1,0,0|2,0,0]=4 292 B13R2.371 NC1=CC=C(Br)C2=CC=CC=C12 CS20596 [0,0,1,1,0,0|2,0,0]=4 293 B13R2.371 NC1=CC=C(F)C2=CC=CC=C12 MC431370 [0,0,1,1,0,0|2,0,0]=4 294 B13R2.371 NC1=CC=C(O)C2=CC=CC=C12 MC443752 [0,0,1,1,0,0|2,0,0]=4 295 B13R2.371 NC1=CC=C(O)C2=CC=CC=C12 MC445102 [0,0,1,1,0,0|2,0,0]=4 296 B13R2.371 OC1=CC=C(Br)C2=CC=CC=C12 CS19148 [0,0,1,1,0,0|2,0,0]=4 297 B13R2.371 OC1=CC=C(Cl)C2=CC=CC=C12 MC443632 [0,0,1,1,0,0|2,0,0]=4 298 B15R3.3 C1=CC2=C(C=C1)C3=C(C=CC=C3)O2 CS10096 [0,0,0,1,0,1|0,0,0]=2 299 B15R3.3 C1=CC2=C(C=C1)C3=C(C=CC=C3)S2 MC440453 [0,0,0,1,0,1|0,0,0]=2 300 B15R3.3 C1=CC2=C(C=C1)C3=C(C=CN=C3)N2 MC440587 [0,0,0,1,0,1|1,0,0]=3 301 B15R3.3 C1=CC=C2C(=C1)CC3=C2C=CC=C3 MC21057 [0,0,0,1,0,1|0,0,0]=2 302 B15R3.3 C1=CC=C2C(=C1)NC3=C2C=CC=C3 CS16174 [0,0,0,1,0,1|0,0,0]=2 303 B15R3.3 C1=CC=C2C(=C1)NC3=C2C=CC=N3 CS17369 [0,0,0,1,0,1|1,0,0]=3 304 B15R3.3 C1=CC=C2C(=C1)NC3=C2C=CN=C3 MC33245 [0,0,0,1,0,1|1,0,0]=3 305 B11R2.2 C1=CC(C2=CSC=C2)=CS1 CS21895 [0,0,0,0,2,0|2,0,0]=4 306 B11R2.2 C1=CSC(C2=CC=CS2)=C1 CS20966 [0,0,0,0,2,0|2,0,0]=4 307 B15R2.2195 C1=CC(\C=C\C2=CC=NC=C2)=CC=N1 MC445039 [0,0,0,0,0,2|2,0,0]=4 308 B15R2.2195 C1=CC=C(SSC2=CC=CC=C2)C=C1 MC40416 [0,0,0,0,0,2|0,0,0]=2