0 B13R2.64 C1=CC=C(CN2CC=CC2)C=C1 CS20621 [0,0,0,0,0,0|3,0,0]=3 1 B13R2.64 C1=CC=C(NC2=CC=CS2)C=C1 MC100924 [0,0,0,0,0,0|3,0,0]=3 2 B14R2.19 BrC1=CN=C(NC2=CC=CC=C2)S1 CS17065 [0,1,0,0,0,0|2,0,0]=3 3 B14R2.19 O=C1NC(CC2=CC=CC=C2)CO1 CS10013 [0,1,0,0,0,0|2,0,1]=4 4 B14R2.19 O=C1NC(CC2=CC=CC=C2)CO1 CS10014 [0,1,0,0,0,0|2,0,1]=4 5 B14R2.19 S=C1NC(CC2=CC=CC=C2)CO1 MC114954 [0,1,0,0,0,0|2,0,1]=4 6 B14R2.114 NC(C1=CC=CO1)C2=NC=CC=C2 MC427592 [0,1,0,0,0,0|3,0,0]=4 7 B14R2.114 O=C(C1=CC=CC=C1)C2=CNC=N2 MC443564 [0,1,0,0,0,0|2,0,1]=4 8 B14R2.114 O=C(C1=NC=CC=C1)C2=NC=CS2 MC425033 [0,1,0,0,0,0|2,0,1]=4 9 B14R2.114 OC(C1=CC=CC=C1)[C-]2C=CC=C2 MC440414 [0,1,0,0,0,0|2,0,1]=4 10 B12R2.2 C1=CC(C2=NN=CN2)=CC=N1 MC111414 [0,0,0,0,1,0|2,0,0]=3 11 B12R2.2 C1=CC=C(C2=CC=CN2)C=C1 MC443684 [0,0,0,0,1,0|1,0,0]=2 12 B12R2.2 C1=CC=C(C2=CC=CO2)C=C1 MC114862 [0,0,0,0,1,0|2,0,0]=3 13 B12R2.2 C1=CC=C(C2=CC=CS2)C=C1 CS21744 [0,0,0,0,1,0|2,0,0]=3 14 B12R2.2 C1=CC=C(C2=CN=CO2)C=C1 CS10486 [0,0,0,0,1,0|3,0,0]=4 15 B12R2.2 C1=CC=C(C2=CN=CS2)C=C1 CS16261 [0,0,0,0,1,0|3,0,0]=4 16 B12R2.2 C1=CC=C(C2=NC=CN2)C=C1 MC442291 [0,0,0,0,1,0|0,0,0]=1 17 B12R2.2 C1=CC=C(C2=NC=CO2)C=C1 CS12838 [0,0,0,0,1,0|1,0,0]=2 18 B12R2.2 C1=CC=C(C2=NN=NN2)C=C1 CS20252 [0,0,0,0,1,0|2,0,0]=3 19 B12R2.2 C1=CC=C(C2=NNC=C2)C=C1 MC31101 [0,0,0,0,1,0|2,0,0]=3 20 B12R2.2 C1=CC=C(N2C=CC=N2)C=C1 CS20795 [0,0,0,0,1,0|2,0,0]=3 21 B12R2.2 C1=CN=C(C2=CNC=N2)C=C1 MC103054 [0,0,0,0,1,0|3,0,0]=4 22 B12R2.2 C1=CN=C(C2=NC=CN2)C=N1 MC106634 [0,0,0,0,1,0|2,0,0]=3 23 B12R2.2 C1=CN=C(C2=NC=CN2)N=C1 MC106635 [0,0,0,0,1,0|2,0,0]=3 24 B12R2.2 C1=CN=C(C2=NCCN2)C=C1 CS15731 [0,0,0,0,1,0|1,0,2]=4 25 B12R2.2 C1=CN=C(C2=NNC=C2)C=C1 CS20822 [0,0,0,0,1,0|3,0,0]=4 26 B12R2.2 C1=CN=C(N2C=CC=N2)C=C1 MC425202 [0,0,0,0,1,0|3,0,0]=4 27 B12R2.2 C1=CN=CC(C2=NC=CN2)=C1 MC443655 [0,0,0,0,1,0|1,0,0]=2 28 B12R2.2 C1=CN=CC(C2=NC=CS2)=C1 MC443555 [0,0,0,0,1,0|2,0,0]=3 29 B14R2.6 C1=CC=C(OC2=CC=CC=C2)C=C1 MC41395 [0,0,0,0,0,1|3,0,0]=4 30 B14R2.6 C1=CC=C(OC2=CC=CN=C2)C=C1 CS22395 [0,0,0,0,0,1|2,0,0]=3 31 B14R2.6 C1=CC=C(OC2=CC=NC=C2)C=C1 CS19081 [0,0,0,0,0,1|3,0,0]=4 32 B14R2.6 C1=CC=C(PC2=CC=CC=C2)C=C1 MC440456 [0,0,0,0,0,1|3,0,0]=4 33 B14R2.6 C1=CC=C(SC2=CC=CC=C2)C=C1 MC40417 [0,0,0,0,0,1|3,0,0]=4 34 B14R2.6 C1=CC=C([I+]C2=CC=CC=C2)C=C1 MC426107 [0,0,0,0,0,1|3,0,0]=4 35 B14R2.6 C1=CN=CC(NC2=NC=CC=C2)=C1 MC107753 [0,0,0,0,0,1|3,0,0]=4 36 B14R2.6 c1ccc(Nc2ncccn2)cc1 MC10095 [0,0,0,0,0,1|1,0,1]=3 37 B14R2.6 c1ccc([I+]c2ccccc2)cc1 MC440254 [0,0,0,0,0,1|3,0,0]=4 38 B14R2.101 C1=CC=C(COC2=NSC=C2)C=C1 CS18088 [0,0,0,0,0,1|2,0,0]=3 39 B11R1.28 C=CCOCC1=CC=CC=C1 MC425090 [1,0,1,0,0,0|2,0,0]=4 40 B13R2.10 BrC1=CC=C(C2=CC=CC=C2)S1 MC440215 [0,1,0,0,1,0|2,0,0]=4 41 B13R2.10 BrC1=CN(C2=CC=CC=C2)N=C1 CS22626 [0,1,0,0,1,0|2,0,0]=4 42 B13R2.10 BrC1=CN=C(C2=CC=CC=C2)O1 CS10282 [0,1,0,0,1,0|1,0,0]=3 43 B13R2.10 BrC1=CN=C(C2=CC=CC=C2)S1 MC443781 [0,1,0,0,1,0|1,0,0]=3 44 B13R2.10 BrC1=CSC(C2=CC=CC=C2)=N1 MC442709 [0,1,0,0,1,0|1,0,0]=3 45 B13R2.10 BrC1=NC(C2=CC=CC=C2)=NO1 MC121297 [0,1,0,0,1,0|1,0,1]=4 46 B13R2.10 BrC1=NN=C(C2=CC=CC=C2)O1 MC425533 [0,1,0,0,1,0|2,0,0]=4 47 B13R2.10 CC1=NN(C2=CC=CC=C2)C=C1 MC106504 [0,1,0,0,1,0|2,0,0]=4 48 B13R2.10 CN1C=NC(C2=CC=CC=C2)=C1 MC111431 [0,1,0,0,1,0|2,0,0]=4 49 B13R2.10 ClC1=CC(C2=CC=CC=C2)=NO1 MC105793 [0,1,0,0,1,0|2,0,0]=4 50 B13R2.10 IC1=CC=C(C2=CC=CC=C2)S1 MC440214 [0,1,0,0,1,0|2,0,0]=4 51 B13R2.10 IC1=CN=C(C2=CC=CN=C2)S1 MC100214 [0,1,0,0,1,0|2,0,0]=4 52 B13R2.10 NC1=NC(C2=CC=CC=C2)=CO1 MC21050 [0,1,0,0,1,0|2,0,0]=4 53 B13R2.10 O=C1NC(C2=CC=CC=C2)=CS1 MC103859 [0,1,0,0,1,0|2,0,0]=4 54 B13R2.10 OC1=CSC(C2=CC=CC=C2)=N1 MC100015 [0,1,0,0,1,0|1,0,0]=3 55 B13R2.10 OC1=NC(C2=CC=CC=C2)=NO1 CS14482 [0,1,0,0,1,0|1,0,1]=4 56 B13R2.12 BrC1=CC=C(C2=CC=NN2)C=C1 MC442363 [0,1,0,0,1,0|2,0,0]=4 57 B13R2.12 BrC1=CC=C(C2=NC=CN2)C=C1 MC441043 [0,1,0,0,1,0|0,0,0]=2 58 B13R2.12 BrC1=CC=C(C2=NC=CS2)C=C1 MC445676 [0,1,0,0,1,0|1,0,0]=3 59 B13R2.12 BrC1=CC=C(C2=NNC=N2)C=C1 CS14579 [0,1,0,0,1,0|1,0,1]=4 60 B13R2.12 CC1=CC=C(C2=NC=CN2)C=C1 MC442678 [0,1,0,0,1,0|0,0,0]=2 61 B13R2.12 CC1=CC=C(C2=NC=CS2)C=C1 MC443647 [0,1,0,0,1,0|1,0,0]=3 62 B13R2.12 CC1=CC=C(C2=NN=NN2)C=C1 MC429807 [0,1,0,0,1,0|2,0,0]=4 63 B13R2.12 CC1=CC=C(N2C=CC=N2)C=C1 MC443359 [0,1,0,0,1,0|2,0,0]=4 64 B13R2.12 ClC1=CC=C(C2=CC=CS2)C=C1 MC115510 [0,1,0,0,1,0|2,0,0]=4 65 B13R2.12 ClC1=CC=C(C2=NC=CS2)C=N1 MC443296 [0,1,0,0,1,0|2,0,0]=4 66 B13R2.12 FC1=CC=C(C2=CC=NN2)C=C1 MC20550 [0,1,0,0,1,0|2,0,0]=4 67 B13R2.12 NC1=CC=C(C2=CC=CS2)C=C1 MC425756 [0,1,0,0,1,0|2,0,0]=4 68 B13R2.12 NC1=CC=C(C2=NC=CS2)C=C1 CS15572 [0,1,0,0,1,0|1,0,0]=3 69 B13R2.12 NC1=CC=C(N2C=CC=N2)C=C1 CS18055 [0,1,0,0,1,0|2,0,0]=4 70 B13R2.13 BrC1=CC=CC(C2=CC=NN2)=C1 MC442364 [0,1,0,0,1,0|2,0,0]=4 71 B13R2.13 BrC1=CC=CC(C2=COC=N2)=C1 MC442218 [0,1,0,0,1,0|2,0,0]=4 72 B13R2.13 BrC1=CC=CC(C2=NC=CN2)=C1 MC106775 [0,1,0,0,1,0|0,0,0]=2 73 B13R2.13 BrC1=CC=CC(N2C=CC=N2)=C1 CS18221 [0,1,0,0,1,0|2,0,0]=4 74 B13R2.13 CC1=CC(C2=NNC=C2)=CC=C1 CS18094 [0,1,0,0,1,0|2,0,0]=4 75 B13R2.13 NC1=CC(N2C=CC=N2)=CC=C1 MC425456 [0,1,0,0,1,0|2,0,0]=4 76 B13R2.15 CN1N=CC=C1C2=CC=CC=C2 CS15590 [0,1,0,0,1,0|2,0,0]=4 77 B13R2.15 IC1=CC=NN1C2=CC=CC=C2 MC431767 [0,1,0,0,1,0|2,0,0]=4 78 B13R2.18 BrC1=C(C2=NC=CO2)C=CC=C1 CS20834 [0,1,0,0,1,0|1,0,0]=3 79 B13R2.18 NC1=C(C2=NNC=N2)C=CC=C1 MC430924 [0,1,0,0,1,0|1,0,1]=4 80 B15R2.29 BrC1=CN=C(OC2=CC=CC=C2)C=C1 CS13020 [0,1,0,0,0,1|2,0,0]=4 81 B15R2.29 BrC1=CN=C(OC2=CC=CC=C2)N=C1 CS10280 [0,1,0,0,0,1|1,0,1]=4 82 B15R2.29 NC1=CC=C(CC2=CC=CC=C2)C=C1 MC433264 [0,1,0,0,0,1|2,0,0]=4 83 B15R2.29 NC1=CC=C(OC2=CC=CN=C2)C=C1 CS12451 [0,1,0,0,0,1|2,0,0]=4 84 B15R2.31 ClC1=NC=NC(OC2=CC=CC=C2)=C1 CS12324 [0,1,0,0,0,1|2,0,0]=4 85 B15R2.31 OC1=CC(CC2=CC=CC=C2)=CC=C1 CS19745 [0,1,0,0,0,1|2,0,0]=4 86 B15R2.38 NC1=NC=CC=C1OC2=CC=CC=C2 CS17614 [0,1,0,0,0,1|2,0,0]=4 87 B15R2.38 OC1=C(CC2=CC=CC=C2)C=CC=C1 CS14092 [0,1,0,0,0,1|2,0,0]=4 88 B15R2.2226 BrC(C1=CC=CC=C1)C2=CC=CC=C2 MC20802 [0,1,0,0,0,1|2,0,0]=4 89 B15R2.2226 NC(C1=CC=CC=C1)C2=CC=CC=C2 CS20006 [0,1,0,0,0,1|2,0,0]=4 90 B15R2.2226 NC(C1=CC=CC=C1)C2=NC=CC=C2 CS12986 [0,1,0,0,0,1|1,0,0]=3 91 B15R2.2226 NC(C1=NC=CC=C1)C2=NC=CC=C2 MC427433 [0,1,0,0,0,1|2,0,0]=4 92 B15R2.2226 O=C(C1=CC=CC=C1)C2=CC=CN=C2 CS19945 [0,1,0,0,0,1|1,0,1]=4 93 B15R2.2226 OC(C1=CC=CC=C1)C2=CC=CC=C2 CS16259 [0,1,0,0,0,1|2,0,0]=4 94 B15R2.283 NC1=NNC(OCC2=CC=CC=C2)=C1 MC100289 [0,1,0,0,0,1|2,0,0]=4 95 B15R2.283 SC1=NN=C(NCC2=CC=CC=C2)S1 MC110631 [0,1,0,0,0,1|2,0,0]=4 96 B15R2.15 N#CC1=CN(CC2=CC=CC=C2)N=C1 CS12139 [0,2,0,0,0,0|2,0,0]=4 97 B15R2.15 O=CC1=CN(CC2=CC=CC=C2)N=C1 CS20615 [0,2,0,0,0,0|2,0,0]=4 98 B15R2.1115 NC1=NN(CC2=CC(F)=CC=C2)C=C1 MC431022 [0,2,0,0,0,0|2,0,0]=4 99 B15R2.395 CN1C=CC=C1C(=O)C2=CC=CC=C2 MC442279 [0,2,0,0,0,0|1,0,1]=4 100 B15R2.91 O=C(C1=CC=C(Cl)C=C1)C2=CC=CN2 MC106970 [0,2,0,0,0,0|1,0,1]=4 101 B13R2.3 C1=CC=C(C2=NC=CC=C2)C=C1 CS11547 [0,0,1,1,0,0|1,0,1]=4 102 B13R2.3 c1ccc(-c2ccccn2)cc1 MC114970 [0,0,1,1,0,0|1,0,1]=4 103 B13R2.3 c1ccc(-c2ccccn2)cc1 MC445014 [0,0,1,1,0,0|1,0,1]=4 104 B13R2.1613 NCC1=NC=CC2=CC=CC=C21 CS14852 [0,0,1,1,0,0|0,0,2]=4 105 B13R2.1613 NNC1=NC=NC2=CC=CC=C21 MC425652 [0,0,1,1,0,0|2,0,0]=4 106 B13R2.328 NC1=NC2=CC=CC=C2C(O)=N1 MC442491 [0,0,1,1,0,0|2,0,0]=4 107 B13R2.328 O=C1CC2=CC=CC=C2C(=O)N1 MC33305 [0,0,1,1,0,0|2,0,0]=4 108 B15R3.3 C1=CC=C2C(=C1)CC3=C2C=CC=C3 MC21057 [0,0,0,1,0,1|2,0,0]=4 109 B15R3.3 C1=CC=C2C(=C1)NC3=C2C=CC=N3 CS17369 [0,0,0,1,0,1|2,0,0]=4 110 B15R3.3 C1=CC=C2C(=C1)NC3=C2C=CN=C3 MC33245 [0,0,0,1,0,1|2,0,0]=4 111 B11R2.238 C1=CC=C(CC2CN2)C=C1 CS19482 [0,0,0,0,2,0|0,0,2]=4 112 B15R2.2196 C1=CC=C(COCC2=NN=CS2)C=C1 MC107601 [0,0,0,0,0,2|2,0,0]=4