0 B13R2.64 C1=CC=C(CC2=NCCN2)C=C1 BBL027502 [0,0,0,0,0,0|0,0,2]=2 1 B14R2.19 BrC1=NN(CC2=CC=CC=C2)C=N1 BBL032647 [0,1,0,0,0,0|3,0,0]=4 2 B14R2.19 CC1=CN=C(NC2=CC=CC=N2)S1 BBL033347 [0,1,0,0,0,0|3,0,0]=4 3 B14R2.19 ClC1=NN(CC2=CC=CC=C2)C=N1 BBL032979 [0,1,0,0,0,0|3,0,0]=4 4 B14R2.19 NC1=NC(CC2=CC=CC=C2)=NN1 BBL028674 [0,1,0,0,0,0|1,0,1]=3 5 B14R2.19 NC1=NN(CC2=CC=CC=C2)C=C1 BBL016218 [0,1,0,0,0,0|2,0,0]=3 6 B14R2.19 NC1=NN(CC2=CC=CC=C2)C=N1 BBL039267 [0,1,0,0,0,0|3,0,0]=4 7 B14R2.19 O=C1CS\C(=N/C2=CC=CC=C2)N1 BBL038211 [0,1,0,0,0,0|2,0,1]=4 8 B14R2.30 NC1=CC=NN1CC2=CC=CC=C2 BBL030018 [0,1,0,0,0,0|2,0,0]=3 9 B14R2.50 NC1=CC=CC=C1CC2=NN=NN2 BBL033211 [0,1,0,0,0,0|2,0,0]=3 10 B14R2.72 ClC1=CC=C(CC2=NNN=N2)C=C1 BBL039128 [0,1,0,0,0,0|2,0,1]=4 11 B14R2.716 ClC1=CC=CC(CC2=NNN=N2)=C1 BBL039297 [0,1,0,0,0,0|2,0,1]=4 12 B14R2.716 NC1=CC(CN2C=NC=N2)=CC=C1 BBL030891 [0,1,0,0,0,0|3,0,0]=4 13 B12R2.2 C1=CC(C2=NN=NN2)=CC=N1 BBL038187 [0,0,0,0,1,0|3,0,0]=4 14 B12R2.2 C1=CC(C2=NNC=C2)=CC=N1 BBL028216 [0,0,0,0,1,0|3,0,0]=4 15 B12R2.2 C1=CC(C2=NNC=C2)=CN=C1 BBL029970 [0,0,0,0,1,0|3,0,0]=4 16 B12R2.2 C1=CC=C(C2=CSC=N2)C=C1 BBL020542 [0,0,0,0,1,0|2,0,0]=3 17 B12R2.2 C1=CC=C(C2=NC=CN2)C=C1 BBL012170 [0,0,0,0,1,0|0,0,0]=1 18 B12R2.2 C1=CC=C(C2=NNN=N2)C=C1 BBL038156 [0,0,0,0,1,0|2,0,1]=4 19 B12R2.2 C1=CC=C(N2C=CC=C2)C=C1 BBL008649 [0,0,0,0,1,0|3,0,0]=4 20 B12R2.2 C1=CN=C(C2=NNC=C2)C=C1 BBL028217 [0,0,0,0,1,0|3,0,0]=4 21 B12R2.2 C1=CN=CC(C2=NN=NN2)=C1 BBL038189 [0,0,0,0,1,0|3,0,0]=4 22 B14R2.6 C1=CC=C(CC2=CC=CC=N2)C=C1 BBL011348 [0,0,0,0,0,1|1,0,0]=2 23 B11R1.40 NNC(=O)CC1=CC=CC=C1 BBL008394 [1,0,1,0,0,0|2,0,0]=4 24 B11R1.40 N\C(CC1=CC=CC=C1)=N/O BBL011916 [1,0,1,0,0,0|1,0,0]=3 25 B13R1.348 [NH3+]C(=N)NC(=N)NC1=CC=CC=C1 BBL002866 [0,1,1,0,0,0|2,0,0]=4 26 B13R2.10 BrC1=NC(C2=CC=CC=C2)=CS1 BBL031439 [0,1,0,0,1,0|2,0,0]=4 27 B13R2.10 BrC1=NNC(C2=CC=CC=C2)=N1 BBL032369 [0,1,0,0,1,0|1,0,0]=3 28 B13R2.10 BrC1=NNC(C2=CN=CC=C2)=N1 BBL032626 [0,1,0,0,1,0|2,0,0]=4 29 B13R2.10 BrC1=NOC(C2=CC=CC=C2)=N1 BBL030676 [0,1,0,0,1,0|2,0,0]=4 30 B13R2.10 ClC1=NC(C2=CC=CC=C2)=CS1 BBL012941 [0,1,0,0,1,0|2,0,0]=4 31 B13R2.10 ClC1=NN=C(C2=CC=CC=C2)N1 BBL031668 [0,1,0,0,1,0|1,0,0]=3 32 B13R2.10 ClC1=NNC(C2=CN=CC=C2)=N1 BBL032496 [0,1,0,0,1,0|2,0,0]=4 33 B13R2.10 ClC1=NOC(C2=CC=CC=C2)=N1 BBL032731 [0,1,0,0,1,0|2,0,0]=4 34 B13R2.10 NC1=CC(C2=CC=CC=C2)=NN1 BBL013022 [0,1,0,0,1,0|2,0,0]=4 35 B13R2.10 NC1=CC(C2=CC=CC=C2)=NO1 BBL028663 [0,1,0,0,1,0|2,0,0]=4 36 B13R2.10 NC1=NC(C2=CC=CC=C2)=CN1 BBL022358 [0,1,0,0,1,0|2,0,0]=4 37 B13R2.10 NC1=NC(C2=CC=CC=C2)=NN1 BBL003983 [0,1,0,0,1,0|1,0,1]=4 38 B13R2.10 NC1=NC(C2=CC=CC=C2)=NO1 BBL028728 [0,1,0,0,1,0|1,0,1]=4 39 B13R2.10 NC1=NN(C2=CC=CC=C2)C=C1 BBL104243 [0,1,0,0,1,0|2,0,0]=4 40 B13R2.10 NC1=NN=C(C2=CC=NC=C2)N1 BBL015349 [0,1,0,0,1,0|2,0,0]=4 41 B13R2.10 NC1=NNC(C2=NC=CC=C2)=N1 BBL032876 [0,1,0,0,1,0|2,0,0]=4 42 B13R2.10 OC1=CC(C2=CC=CC=C2)=NN1 BBL038005 [0,1,0,0,1,0|2,0,0]=4 43 B13R2.10 SC1=NC(C2=CC=CC=C2)=CS1 BBL000524 [0,1,0,0,1,0|2,0,0]=4 44 B13R2.10 SC1=NC=C(C2=CC=CC=C2)N1 BBL028658 [0,1,0,0,1,0|2,0,0]=4 45 B13R2.10 SC1=NN=C(C2=CC=NC=C2)N1 BBL011792 [0,1,0,0,1,0|2,0,0]=4 46 B13R2.12 ClC1=CC=C(C2=NNC=C2)C=C1 BBL011876 [0,1,0,0,1,0|2,0,0]=4 47 B13R2.12 FC1=CC=C(C2=NNC=C2)C=C1 BBL013109 [0,1,0,0,1,0|2,0,0]=4 48 B13R2.12 NC1=CC=C(C2=CNC=N2)C=C1 BBL028494 [0,1,0,0,1,0|2,0,0]=4 49 B13R2.12 NC1=CC=C(C2=NNC=N2)C=C1 BBL032482 [0,1,0,0,1,0|1,0,1]=4 50 B13R2.12 NC1=CC=C(N2C=CC=N2)C=C1 BBL040613 [0,1,0,0,1,0|2,0,0]=4 51 B13R2.13 ClC1=CC(C2=CSC=N2)=CC=C1 BBL020668 [0,1,0,0,1,0|2,0,0]=4 52 B13R2.13 NC1=CC(C2=NNC=N2)=CC=C1 BBL032483 [0,1,0,0,1,0|1,0,1]=4 53 B13R2.15 BrC1=CNN=C1C2=CC=CC=C2 BBL034977 [0,1,0,0,1,0|2,0,0]=4 54 B13R2.18 NC1=CC=CC=C1N2C=CC=N2 BBL029877 [0,1,0,0,1,0|2,0,0]=4 55 B15R2.29 ClC1=NN=C(OC2=CC=CC=C2)C=C1 BBL005281 [0,1,0,0,0,1|2,0,0]=4 56 B15R2.29 NC1=CN=C(OC2=CC=CC=C2)C=C1 BBL029443 [0,1,0,0,0,1|2,0,0]=4 57 B15R2.31 NC1=CC(SC2=NC=CC=N2)=CC=C1 BBL032258 [0,1,0,0,0,1|1,0,1]=4 58 B15R2.31 NC1=NC=NC(NC2=CC=CC=C2)=N1 BBL022390 [0,1,0,0,0,1|1,0,1]=4 59 B15R2.38 NC1=C(OC2=CC=CC=C2)N=CC=C1 BBL031429 [0,1,0,0,0,1|2,0,0]=4 60 B15R2.2226 NC(C1=CC=CC=C1)C2=CC=CC=C2 BBL009929 [0,1,0,0,0,1|2,0,0]=4 61 B15R2.2226 O=C(C1=CC=CC=C1)C2=CN=CC=C2 BBL011708 [0,1,0,0,0,1|1,0,1]=4 62 B15R2.55 CN1N=CC=C1CNC2=CC=CC=C2 BBL039842 [0,1,0,0,0,1|2,0,0]=4 63 B15R2.64 NC(CC1=CC=CC=C1)C2=NC=NN2 BBL035122 [0,1,0,0,0,1|1,0,0]=3 64 B15R2.64 O=C(CC1=CC=CC=C1)C2=CC=CS2 BBL039041 [0,1,0,0,0,1|2,0,0]=4 65 B15R2.100 ClC1=CC=C(NCC2=CC=CO2)C=C1 BBL010970 [0,1,0,0,0,1|2,0,0]=4 66 B15R2.100 NC1=CC=C(CCC2=NN=NN2)C=C1 BBL012714 [0,1,0,0,0,1|2,0,0]=4 67 B15R2.100 NC1=CC=C(OCC2=CC=CO2)C=C1 BBL040930 [0,1,0,0,0,1|2,0,0]=4 68 B15R2.283 CN1C=CC(CNC2=CC=CC=C2)=N1 BBL039840 [0,1,0,0,0,1|2,0,0]=4 69 B15R2.283 NC1=NC(COC2=CC=CC=C2)=NN1 BBL009839 [0,1,0,0,0,1|1,0,1]=4 70 B15R2.283 NC1=NC(SCC2=CC=CC=C2)=NN1 BBL003501 [0,1,0,0,0,1|1,0,1]=4 71 B15R2.283 NC1=NN=C(COC2=CC=CC=C2)O1 BBL029452 [0,1,0,0,0,1|2,0,0]=4 72 B15R2.283 NC1=NNC(CCC2=CC=CC=C2)=N1 BBL011264 [0,1,0,0,0,1|1,0,0]=3 73 B15R2.283 SC1=NN=C(CCC2=CC=CC=C2)N1 BBL031813 [0,1,0,0,0,1|1,0,0]=3 74 B15R2.562 ClC1=CC=CC=C1NCC2=CC=CO2 BBL010971 [0,1,0,0,0,1|2,0,0]=4 75 B15R2.562 NC1=CC=CC=C1OCC2=CC=CO2 BBL040075 [0,1,0,0,0,1|2,0,0]=4 76 B15R2.15 NCC1=NC(CC2=CC=CC=C2)=NO1 BBL013312 [0,2,0,0,0,0|1,0,1]=4 77 B15R2.15 O=CC1=CC=C(CC2=CC=CC=C2)N1 BBL033253 [0,2,0,0,0,0|1,0,0]=3 78 B15R2.98 CC1=CC=C(CN2C=C(N)C=N2)C=C1 BBL039628 [0,2,0,0,0,0|2,0,0]=4 79 B15R2.98 CC1=CC=C(CN2C=CC(N)=N2)C=C1 BBL039468 [0,2,0,0,0,0|2,0,0]=4 80 B15R2.98 NC1=CC=C(CN2C=C(Br)C=N2)C=C1 BBL039629 [0,2,0,0,0,0|2,0,0]=4 81 B15R2.98 NC1=CC=C(CN2C=C(Cl)C=N2)C=C1 BBL040365 [0,2,0,0,0,0|2,0,0]=4 82 B15R2.98 NC1=CN(CC2=CC=C(Br)C=C2)N=C1 BBL039759 [0,2,0,0,0,0|2,0,0]=4 83 B15R2.98 NC1=CN(CC2=CC=C(Cl)C=C2)N=C1 BBL039413 [0,2,0,0,0,0|2,0,0]=4 84 B15R2.98 NC1=NN(CC2=CC=C(Br)C=C2)C=C1 BBL029647 [0,2,0,0,0,0|2,0,0]=4 85 B15R2.98 NC1=NN(CC2=CC=C(Cl)C=C2)C=C1 BBL016167 [0,2,0,0,0,0|2,0,0]=4 86 B15R2.98 NC1=NN(CC2=CC=C(F)C=C2)C=C1 BBL029554 [0,2,0,0,0,0|2,0,0]=4 87 B15R2.98 NC1=NNC(CC2=CC=C(F)C=C2)=N1 BBL033422 [0,2,0,0,0,0|1,0,0]=3 88 B15R2.297 CN1C=NC(C(N)C2=CC=CC=C2)=N1 BBL035140 [0,2,0,0,0,0|1,0,1]=4 89 B15R2.297 NC1=NN=C(C(N)C2=CC=CC=C2)S1 BBL022700 [0,2,0,0,0,0|2,0,0]=4 90 B15R2.305 CC1=CC=CC=C1CN2C=C(N)C=N2 BBL029551 [0,2,0,0,0,0|2,0,0]=4 91 B15R2.305 CC1=CC=CC=C1CN2C=CC(N)=N2 BBL039600 [0,2,0,0,0,0|2,0,0]=4 92 B15R2.305 NC1=CN(CC2=CC=CC=C2Cl)N=C1 BBL010169 [0,2,0,0,0,0|2,0,0]=4 93 B15R2.305 NC1=NN(CC2=C(F)C=CC=C2)C=C1 BBL039485 [0,2,0,0,0,0|2,0,0]=4 94 B15R2.305 NC1=NN(CC2=CC=CC=C2Cl)C=C1 BBL029553 [0,2,0,0,0,0|2,0,0]=4 95 B15R2.314 NC1=NN(CC2=CC=CC=C2)C=C1Br BBL037735 [0,2,0,0,0,0|2,0,0]=4 96 B15R2.314 NC1=NN(CC2=CC=CC=C2)C=C1Cl BBL039707 [0,2,0,0,0,0|2,0,0]=4 97 B15R2.325 CC1=CC(C)=NN1CC2=CC=CC=C2 BBL009753 [0,2,0,0,0,0|2,0,0]=4 98 B15R2.325 CC1=CC(N)=NN1CC2=CC=CC=C2 BBL039985 [0,2,0,0,0,0|2,0,0]=4 99 B15R2.325 CN1N=C(Br)N=C1OC2=CC=CC=C2 BBL035210 [0,2,0,0,0,0|2,0,0]=4 100 B15R2.1115 CC1=CC(CN2C=C(N)C=N2)=CC=C1 BBL039132 [0,2,0,0,0,0|2,0,0]=4 101 B15R2.1115 CC1=CC(CN2C=CC(N)=N2)=CC=C1 BBL039762 [0,2,0,0,0,0|2,0,0]=4 102 B15R2.1115 NC1=CC(CN2C=C(Cl)C=N2)=CC=C1 BBL039357 [0,2,0,0,0,0|2,0,0]=4 103 B15R2.1115 NC1=CC=CC(CN2C=C(Br)C=N2)=C1 BBL029996 [0,2,0,0,0,0|2,0,0]=4 104 B15R2.1115 NC1=CN(CC2=CC=CC(Cl)=C2)N=C1 BBL039118 [0,2,0,0,0,0|2,0,0]=4 105 B15R2.1115 NC1=CN(CC2=CC=CC(F)=C2)N=C1 BBL029650 [0,2,0,0,0,0|2,0,0]=4 106 B15R2.1115 NC1=NN(CC2=CC=CC(Cl)=C2)C=C1 BBL038936 [0,2,0,0,0,0|2,0,0]=4 107 B15R2.395 CN1C=CN=C1C(N)C2=CC=CC=C2 BBL030839 [0,2,0,0,0,0|0,0,0]=2 108 B15R2.1510 CN1C=CN=C1SC2=NC=C(N)C=C2 BBL031840 [0,2,0,0,0,0|2,0,0]=4 109 B15R2.1109 CC1=C(C)C(NC2=NC=CS2)=CC=C1 BBL040666 [0,2,0,0,0,0|2,0,0]=4 110 B15R2.7567 ClC1=CC=C(Cl)C(NC2=NC=CS2)=C1 BBL040665 [0,2,0,0,0,0|2,0,0]=4 111 B15R2.92 ClC1=C(Cl)C=C(NC2=NC=CS2)C=C1 BBL040667 [0,2,0,0,0,0|2,0,0]=4 112 B15R3.3 C1=CC=C2C(=C1)CC3=C2C=CC=C3 BBL027323 [0,0,0,1,0,1|2,0,0]=4 113 B15R3.10083 SC1=NN=C2NC3=CC=CC=C3N12 BBL012964 [0,1,0,1,0,0|2,0,0]=4 114 B15R2.2195 C1=CC=C(COC2=CC=CC=C2)C=C1 BBL100307 [0,0,0,0,0,2|2,0,0]=4 115 B15R2.2196 C1=CC=C(CNCC2=CC=CO2)C=C1 BBL036308 [0,0,0,0,0,2|2,0,0]=4