0 B11R2.10 ClC1=NC2=CC=CC=C2N1 B028974 [0,0,0,0,0,0|2,0,0]=2 1 B11R2.10 NC1=NC2=CC=CC=C2O1 B039652 [0,0,0,0,0,0|1,0,0]=1 2 B11R2.10 NC1=NN2C=CC=NC2=C1 B039119 [0,0,0,0,0,0|4,0,0]=4 3 B11R2.10 NC1=NN2C=CC=NC2=N1 B022919 [0,0,0,0,0,0|4,0,0]=4 4 B11R2.10 NC1=NN2C=CC=NC2=N1 B039059 [0,0,0,0,0,0|4,0,0]=4 5 B11R2.10 SC1=NC2=C(C=CC=N2)N1 B048716 [0,0,0,0,0,0|3,0,0]=3 6 B12R2.18 CN1C(N)=NC2=C1C=CC=C2 B000495 [0,1,0,0,0,0|2,0,0]=3 7 B12R2.32 ClCC1=CN2C=CC=NC2=N1 B049424 [0,1,0,0,0,0|3,0,0]=4 8 B12R2.32 ClCC1=NC2=CC=CC=C2N1 B036351 [0,1,0,0,0,0|1,0,0]=2 9 B12R2.32 NCC1=CC2=C(C=CC=C2)N1 B038617 [0,1,0,0,0,0|1,0,1]=3 10 B12R2.32 NCC1=NC2=CC=CC=C2N1 B036389 [0,1,0,0,0,0|1,0,0]=2 11 B12R2.32 NCC1=NC2=CC=CC=C2O1 B039653 [0,1,0,0,0,0|0,0,0]=1 12 B12R2.32 NCC1=NC2=CC=CC=C2S1 B039668 [0,1,0,0,0,0|0,1,0]=2 13 B12R2.32 NCC1CC2=CC=CC=C2O1 B049791 [0,1,0,0,0,0|1,0,1]=3 14 B12R2.32 NNC1=NC2=C(C=CC=C2)S1 B003351 [0,1,0,0,0,0|1,1,0]=3 15 B12R2.32 O=CC1=NC2=CC=CC=C2S1 B059742 [0,1,0,0,0,0|0,1,1]=3 16 B12R2.32 OCC1=NC2=CC=CC=C2N1 B036344 [0,1,0,0,0,0|1,0,0]=2 17 B12R2.202 CC1=C2N=C(S)NC2=CC=C1 B039545 [0,1,0,0,0,0|2,0,0]=3 18 B12R2.202 CC1=CC2=C(O1)C(N)=CC=C2 B049981 [0,1,0,0,0,0|1,0,0]=2 19 B12R2.202 CC1=CC=NC2=CC(C)=NN12 B060436 [0,1,0,0,0,0|3,0,0]=4 20 B12R2.202 CC1=NC2=C(C=CC=C2N)N1 B049331 [0,1,0,0,0,0|1,0,0]=2 21 B12R2.202 CC1=NN2C(N)=CC=NC2=C1 B061617 [0,1,0,0,0,0|3,0,0]=4 22 B12R2.202 CN1N=C2C=CC=C(N)C2=N1 B047415 [0,1,0,0,0,0|2,0,0]=3 23 B12R2.606 CC1=CC2=C(C=CC(N)=C2)O1 B049968 [0,1,0,0,0,0|1,0,0]=2 24 B12R2.606 CC1=NC2=C(C=C(N)C=C2)O1 B049148 [0,1,0,0,0,0|0,0,0]=1 25 B12R2.606 CC1=NC2=C(C=C(N)C=C2)S1 B049143 [0,1,0,0,0,0|0,1,0]=2 26 B12R2.606 CC1=NC2=C(C=C1)NC(N)=N2 B050689 [0,1,0,0,0,0|3,0,0]=4 27 B12R2.606 CC1=NC2=C(C=CC(N)=C2)N1 B049415 [0,1,0,0,0,0|1,0,0]=2 28 B12R2.606 CC1=NC2=C(C=CC(N)=C2)S1 B049142 [0,1,0,0,0,0|0,1,0]=2 29 B12R2.606 CC1=NC2=CC(C)=NN2C=C1 B060430 [0,1,0,0,0,0|3,0,0]=4 30 B12R2.606 CC1=NN2C=C(Br)C=NC2=C1 B050917 [0,1,0,0,0,0|3,0,0]=4 31 B12R2.606 CC1=NN2C=C(N)C=NC2=C1 B036607 [0,1,0,0,0,0|3,0,0]=4 32 B12R2.606 CN1N=C2C=CC(N)=CC2=N1 B051193 [0,1,0,0,0,0|2,0,0]=3 33 B12R2.606 ClC1=CC=C2OC(Cl)=NC2=C1 B039590 [0,1,0,0,0,0|1,0,0]=2 34 B12R2.606 NC1=CC2=C(C=C1)NC(=O)N2 B048996 [0,1,0,0,0,0|2,0,1]=4 35 B12R2.606 NC1=NC2=C(C=CC(Cl)=C2)S1 B050321 [0,1,0,0,0,0|1,1,0]=3 36 B12R2.606 O=C1OC2=C(C=C(O)C=C2)S1 B049000 [0,1,0,0,0,0|2,0,0]=3 37 B12R2.606 SC1=NC2=CC(Cl)=CC=C2O1 B039586 [0,1,0,0,0,0|1,0,0]=2 38 B12R2.606 SC1=NC2=CC=C(Cl)C=C2N1 B039513 [0,1,0,0,0,0|2,0,0]=3 39 B12R2.606 SC1=NC2=CC=C(Cl)C=C2O1 B039594 [0,1,0,0,0,0|1,0,0]=2 40 B10R1.4 CCOC1=C(N)N=CC=C1 B050894 [0,0,1,0,0,0|1,0,2]=4 41 B10R1.18 NC(=S)CC1=CC=CC=C1 B039022 [0,0,1,0,0,0|2,0,1]=4 42 B9R1.15 COC1=CC=CN=C1O B039509 [1,0,1,0,0,0|2,0,0]=4 43 B11R1.17 CC1=C(OCCN)C=CC=C1 B050096 [0,1,1,0,0,0|1,0,1]=4 44 B11R1.17 NC1=CC=CC=C1OCCO B030703 [0,1,1,0,0,0|0,0,2]=4 45 B11R1.81 CCOC1=CC=C(F)C=C1N B047094 [0,1,1,0,0,0|0,0,2]=4 46 B11R2.36 NC1=CC2=C(C=CN2)C=C1 B050532 [1,1,0,0,0,0|1,0,1]=4 47 B11R2.106 NC1=CC=CC2=C1N=CN2 B049587 [1,1,0,0,0,0|1,0,0]=3 48 B11R2.106 NC1=CC=CC2=NNN=C12 B045623 [1,1,0,0,0,0|2,0,0]=4 49 B11R2.106 OC1=CC=CC2=NSN=C12 B050223 [1,1,0,0,0,0|2,0,0]=4 50 B13R2.57 C(=O)C1=NC2=CC=CC=C2C=C1 B046312 [0,1,0,0,0,1|1,0,1]=4 51 B13R2.57 N#CC1=CC=C2C=CC=CC2=N1 B049270 [0,1,0,0,0,1|1,0,1]=4 52 B13R2.57 NCC1=CC2=C(C=CC=C2)N=C1 B046199 [0,1,0,0,0,1|1,0,0]=3 53 B13R2.57 NCC1=CC2=CC=CC=C2N=C1 B059796 [0,1,0,0,0,1|1,0,0]=3 54 B13R2.57 NCC1=NC2=CC=CC=C2C=C1 B029665 [0,1,0,0,0,1|1,0,0]=3 55 B13R2.57 O=CC1=NC2=C(C=CC=C2)N=C1 B000386 [0,1,0,0,0,1|1,0,1]=4 56 B13R2.57 OCC1=CC2=C(C=CC=C2)N=C1 B037016 [0,1,0,0,0,1|1,0,0]=3 57 B13R2.155 ClC1=NC2=C(C=CC(Br)=C2)N=C1 B050212 [0,1,0,0,0,1|2,0,0]=4 58 B13R2.155 NC1=CC2=C(C=C1)N=CC(=O)N2 B050211 [0,1,0,0,0,1|2,0,0]=4 59 B13R2.155 NC1=CC2=C(C=C1)N=CC(Br)=C2 B049015 [0,1,0,0,0,1|2,0,0]=4 60 B13R2.155 O=C1C=NC2=C(C=C(Br)C=C2)N1 B050220 [0,1,0,0,0,1|2,0,0]=4 61 B13R2.328 CC1=NC2=C(C=CC=C2)C(=O)N1 B030293 [0,1,0,0,0,1|1,0,0]=3 62 B13R2.5179 O=C1COC2=C(Cl)C=CC=C2N1 B050324 [0,1,0,0,0,1|1,0,1]=4 63 B13R2.45 CN1C2=CC=CC=C2N=C1CO B039671 [0,2,0,0,0,0|1,0,0]=3 64 B13R2.45 N#CC1=C(N)C2=C(C=CC=C2)O1 B050460 [0,2,0,0,0,0|1,0,1]=4 65 B13R2.135 CCN1C(N)=NC2=C1C=CC=C2 B000434 [0,2,0,0,0,0|2,0,0]=4 66 B13R2.26 CNCC1=CC2=C(C=CC=C2)S1 B030501 [0,2,0,0,0,0|1,1,0]=4 67 B13R2.26 CNCC1=CN2C=CC=CC2=N1 B006886 [0,2,0,0,0,0|2,0,0]=4 68 B13R2.26 CNCC1=NC2=CC=CC=C2S1 B059731 [0,2,0,0,0,0|0,1,0]=3 69 B13R2.26 N#CCC1=NC2=CC=CN=C2N1 B049429 [0,2,0,0,0,0|2,0,0]=4 70 B13R2.26 NCCC1=NC2=CC=CC=C2N1 B039401 [0,2,0,0,0,0|1,0,0]=3 71 B13R2.26 NCCC1=NC2=CC=CC=C2S1 B039470 [0,2,0,0,0,0|0,1,0]=3 72 B13R2.43 CC1=CC2=C(C=C1)N=C(CN)O2 B039426 [0,2,0,0,0,0|0,0,0]=2 73 B13R2.43 CC1=CC2=C(C=C1)OC(CN)=N2 B039400 [0,2,0,0,0,0|0,0,0]=2 74 B13R2.43 CC1=CC=C2N=C(CCl)OC2=C1 B036300 [0,2,0,0,0,0|0,0,0]=2 75 B13R2.43 CC1=CC=C2NC(CCl)=NC2=C1 B036370 [0,2,0,0,0,0|1,0,0]=3 76 B13R2.43 CC1=CC=C2NC(CO)=NC2=C1 B036346 [0,2,0,0,0,0|1,0,0]=3 77 B13R2.43 CC1=CC=C2OC(CCl)=NC2=C1 B036298 [0,2,0,0,0,0|0,0,0]=2 78 B13R2.43 CSC1=NC2=CC(Cl)=CC=C2O1 B039596 [0,2,0,0,0,0|0,0,0]=2 79 B13R2.43 ClCC1=NC2=CC(Cl)=CC=C2O1 B036299 [0,2,0,0,0,0|0,0,0]=2 80 B13R2.43 ClCC1=NC2=CC=C(Cl)C=C2O1 B036301 [0,2,0,0,0,0|0,0,0]=2 81 B13R2.43 FC1=CC=C2NC(CCl)=NC2=C1 B036348 [0,2,0,0,0,0|1,0,0]=3 82 B13R2.43 NCC1=NC2=C(C=CC(F)=C2)O1 B039419 [0,2,0,0,0,0|0,0,0]=2 83 B13R2.43 NNC1=NC2=CC=C(Cl)C=C2N1 B039522 [0,2,0,0,0,0|2,0,0]=4 84 B13R2.43 OCC1=NC2=CC(Br)=CC=C2N1 B039465 [0,2,0,0,0,0|1,0,0]=3 85 B13R2.54 CC1=C2N=C(CN)NC2=CC=C1 B039664 [0,2,0,0,0,0|1,0,0]=3 86 B13R2.435 CC(=O)C1=NC2=C(C=CC=C2)N1 B050800 [0,2,0,0,0,0|1,0,0]=3 87 B13R2.435 CC(N)C1=CC2=CC=CC=C2O1 B050376 [0,2,0,0,0,0|1,0,0]=3 88 B13R2.435 CC(N)C1=NC2=C(C=CC=C2)S1 B039497 [0,2,0,0,0,0|0,1,0]=3 89 B13R2.435 CC(N)C1=NC2=CC=CC=C2S1 B059732 [0,2,0,0,0,0|0,1,0]=3 90 B13R2.435 FC(F)C1=NC2=C(C=CC=C2)N1 B037542 [0,2,0,0,0,0|1,0,0]=3 91 B13R2.435 O=C(O)C1=NC2=C(C=CC=C2)S1 B030509 [0,2,0,0,0,0|0,1,1]=4 92 B13R2.3050 NC1=NC2=C(C=CC(Cl)=C2Cl)S1 B049382 [0,2,0,0,0,0|1,1,0]=4 93 B13R2.2121 COC1=CC=C2NC(S)=NC2=C1 B039544 [0,2,0,0,0,0|2,0,0]=4 94 B13R2.2121 COC1=CC=C2OC(S)=NC2=C1 B039588 [0,2,0,0,0,0|1,0,0]=3 95 B13R2.2121 OCC1=CC=C2OC(S)=NC2=C1 B039568 [0,2,0,0,0,0|1,0,0]=3 96 B11R1.91 O=C(O)CNC1=CC=CC=C1 B003332 [0,0,1,0,0,1|1,0,1]=4