0 B12R1.252 N=C(N)SCCC1=NC=CC=C1 F17998 [0,0,0,0,0,0|3,0,1]=4 1 B12R1.252 NC(=O)CNCC1=CC=CC=C1 F52328 [0,0,0,0,0,0|2,0,2]=4 2 B11R1.28 NCC\C=C\C1=CC=CC=C1 F15194 [1,0,0,0,0,0|2,0,1]=4 3 B13R1.45 CC(=O)NNC(=O)C1=CC=CC=C1 A50922 [0,1,0,0,0,0|2,0,1]=4 4 B13R1.45 NC(=S)CNC(=O)C1=CC=CC=C1 F14578 [0,1,0,0,0,0|2,0,1]=4 5 B13R1.149 NC(=O)NCCC1=CC(O)=CC=C1 E72610 [0,1,0,0,0,0|2,0,1]=4 6 B13R2.10 BrC1=NNC(C2=CC=CC=C2)=N1 AT12529 [0,0,0,1,0,0|1,0,2]=4 7 B13R2.10 CC1=NN=C(C2=CC=CC=C2)N1 AT18636 [0,0,0,1,0,0|1,0,1]=3 8 B13R2.10 NC1=CC(C2=NC=CC=C2)=NN1 AT21788 [0,0,0,1,0,0|2,0,0]=3 9 B13R2.10 NC1=NC(C2=CC=CC=C2)=NN1 AT24335 [0,0,0,1,0,0|0,0,0]=1 10 B13R2.10 NC1=NC(C2=CC=NC=C2)=NN1 71219 [0,0,0,1,0,0|1,0,0]=2 11 B13R2.10 NC1=NC(C2=CC=NC=C2)=NS1 31304 [0,0,0,1,0,0|2,0,0]=3 12 B13R2.10 NC1=NC(C2=CN=CC=C2)=NS1 31302 [0,0,0,1,0,0|2,0,0]=3 13 B13R2.10 NC1=NC(C2=NC=CN=C2)=NS1 I11810 [0,0,0,1,0,0|3,0,0]=4 14 B13R2.10 NC1=NN(C2=CC=CC=C2)N=C1 S10660 [0,0,0,1,0,0|2,0,0]=3 15 B13R2.10 NC1=NNC(C2=CC=CC=C2)=N1 W13327 [0,0,0,1,0,0|0,0,2]=3 16 B13R2.10 OC1=CC(C2=CC=CC=C2)=NO1 AC5685 [0,0,0,1,0,0|3,0,0]=4 17 B13R2.72 CC(=O)N1N=CC2=C1C=CC=N2 F13132 [0,0,0,1,0,0|3,0,0]=4 18 B13R2.72 CC(=O)N1N=CC2=C1C=CN=C2 F18053 [0,0,0,1,0,0|3,0,0]=4 19 B11R1.91 N=C(N)CCC1=NC=CC=C1 C14497 [0,0,0,0,1,0|2,0,1]=4 20 B11R1.91 N=C(N)NCC1=CC=CC=C1 S12114 [0,0,0,0,1,0|0,0,1]=2 21 B11R1.91 NC(N)=NCC1=CC=CC=C1 H10078 [0,0,0,0,1,0|0,0,2]=3 22 B10R1.17 NC\C=C\C1=CC=CC=C1 A12523 [2,0,0,0,0,0|1,0,1]=4 23 B10R1.17 NNCCC1=CC=CC=C1 AC4670 [2,0,0,0,0,0|1,0,1]=4 24 B12R1.21 CC1=CC=C(\C=C\C(N)=O)C=C1 H11524 [0,1,0,0,1,0|2,0,0]=4 25 B12R1.107 C[C@H](NC(N)=O)C1=CC=CC=C1 C11665 [0,1,0,0,1,0|1,0,1]=4 26 B12R1.107 N=C(N)NC(=N)C1=CC=CC=C1 W12776 [0,1,0,0,1,0|0,0,0]=2 27 B14R1.818 N=C(N)NC(=O)OCC1=CC=CC=C1 C93432 [0,1,0,0,0,1|1,0,1]=4 28 B14R1.154 N=C(N)N\N=C\C1=CC=CC(Cl)=C1Cl D81345 [0,2,0,0,0,0|0,0,0]=2 29 B14R1.4920 N=C(N)N\N=C\C1=C(Cl)C=CC=C1Cl N16880 [0,2,0,0,0,0|0,0,0]=2 30 B12R2.2 C1=CC(C2=NN=CN2)=CC=N1 AT12507 [1,0,0,1,0,0|1,0,1]=4 31 B12R2.2 C1=CC=C(N2N=CC=N2)C=C1 F17311 [1,0,0,1,0,0|2,0,0]=4 32 B12R2.1081 O=C1NN=CC2=C1C=NC=C2 84846 [1,0,0,1,0,0|2,0,0]=4 33 B12R2.1081 O=C1NN=CC2=CC=CN=C12 84844 [1,0,0,1,0,0|2,0,0]=4 34 B12R2.24 ClC1=NC2=CC=CC=C2N=N1 D78678 [0,0,0,1,1,0|1,0,1]=4 35 B12R2.24 NC1=CC2=CC=CC=C2N=N1 W16974 [0,0,0,1,1,0|1,0,1]=4 36 B12R2.24 NC1=NC2=NC=CC=C2C=N1 AC7077 [0,0,0,1,1,0|1,0,0]=3 37 B12R2.24 O=C1N=CC2=C(C=CC=C2)N1 F15801 [0,0,0,1,1,0|1,0,0]=3 38 B12R2.24 O=C1N=CC2=C(N=CC=C2)N1 90179 [0,0,0,1,1,0|2,0,0]=4 39 B12R2.6 NC1=CC(C2=CC=CN2)=NN1 94299 [0,0,0,1,1,0|2,0,0]=4 40 B14R2.2 O=C(O)CN1N=CC2=C1C=CC=C2 D87827 [0,0,0,1,0,1|2,0,0]=4 41 B14R2.19 NC1=CC(CC2=CC=CC=C2)=NO1 72480 [0,0,0,1,0,1|2,0,0]=4 42 B14R2.19 NC1=NC(CC2=CC=CC=C2)=NN1 AT12246 [0,0,0,1,0,1|0,0,0]=2 43 B14R2.21 NC1=CC=NC(C2=CN=CC=C2)=N1 CS1197 [0,0,0,1,0,1|2,0,0]=4 44 B14R2.21 NC1=NC(C2=CC=CC=C2)=CN=N1 AT25742 [0,0,0,1,0,1|0,0,1]=3 45 B14R2.21 O=C1C=C(C2=CC=CC=C2)C=NN1 C91861 [0,0,0,1,0,1|2,0,0]=4 46 B14R2.21 O=C1N=C(C2=CC=CC=C2)C=NN1 AT25741 [0,0,0,1,0,1|1,0,0]=3 47 B14R2.21 OC1=NC(C2=CC=CC=C2)=NC=C1 F50833 [0,0,0,1,0,1|2,0,0]=4 48 B14R2.68 NC1=CN=C(C2=NC=CC=C2)N=C1 AC2892 [0,1,0,1,0,0|2,0,0]=4 49 B14R2.68 NC1=NC=C(C2=CN=CC=C2)N=C1 92027 [0,1,0,1,0,0|2,0,0]=4 50 B14R2.68 NC1=NN=C(C2=CC=CC=C2)CS1 F13861 [0,1,0,1,0,0|1,0,1]=4 51 B14R2.68 O=C1C=NC(C2=CC=CC=C2)=NN1 W17751 [0,1,0,1,0,0|1,0,0]=3 52 B14R2.68 O=C1CCC(C2=CC=CC=C2)=NN1 T70008 [0,1,0,1,0,0|2,0,0]=4 53 B14R2.68 O=C1COC(C2=CC=CC=C2)=NN1 F53554 [0,1,0,1,0,0|2,0,0]=4 54 B14R2.287 CC1=NCC(=O)NC2=C1C=CC=C2 C16257 [0,1,0,1,0,0|2,0,0]=4 55 B14R2.22 CC1=CC=CC(C2=CSC(N)=N2)=C1 86965 [0,1,0,1,0,0|2,0,0]=4 56 B14R2.22 CC1=CC=CC(C2=NN=C(N)O2)=C1 90872 [0,1,0,1,0,0|1,0,1]=4 57 B14R2.22 CC1=NN=C(C2=CC(N)=CC=C2)N1 AT12345 [0,1,0,1,0,0|1,0,1]=4 58 B14R2.22 NC1=NC(C2=CC(Cl)=NC=C2)=NS1 31306 [0,1,0,1,0,0|2,0,0]=4 59 B14R2.22 NC1=NC(C2=CC(O)=CC=C2)=CS1 C77656 [0,1,0,1,0,0|2,0,0]=4 60 B14R2.22 NC1=NN=C(C2=CC=CC(Br)=C2)N1 C15710 [0,1,0,1,0,0|0,0,2]=4 61 B14R2.22 NC1=NN=C(C2=CC=CC(Br)=C2)O1 90869 [0,1,0,1,0,0|1,0,1]=4 62 B14R2.22 NC1=NN=C(C2=CC=CC(Br)=C2)S1 68147 [0,1,0,1,0,0|1,0,1]=4 63 B14R2.300 CC(=O)N1N=CC2=C1C=CC(C)=C2 F18196 [0,1,0,1,0,0|2,0,0]=4 64 B14R2.8053 CC(=O)N1N=CC2=CC=CC(Br)=C21 F18620 [0,1,0,1,0,0|2,0,0]=4 65 B14R2.256 CC1=C(C2=NN=C(N)N2)C=CC=C1 AT12221 [0,1,0,1,0,0|0,0,2]=4 66 B14R2.256 CC1=NN=C(C2=C(N)C=CC=C2)N1 AT12344 [0,1,0,1,0,0|1,0,1]=4 67 B14R2.256 NC1=CC(C2=C(Br)C=CC=C2)=NN1 AC2749 [0,1,0,1,0,0|1,0,0]=3 68 B14R2.256 NC1=CC(C2=C(O)C=CC=C2)=NO1 O10483 [0,1,0,1,0,0|2,0,0]=4 69 B14R2.256 NC1=NN=C(C2=C(F)C=CC=C2)O1 90864 [0,1,0,1,0,0|1,0,1]=4 70 B14R2.768 N=C(N)NC1CC2=C(C=CC=C2)C1 89645 [0,1,0,1,0,0|1,0,1]=4 71 B14R2.260 CN1N=C(C2=CC=CC=C2)CC1=O N16888 [0,1,0,1,0,0|2,0,0]=4 72 B14R2.260 CN1N=C(C2=CC=NC=C2)C=C1N 70953 [0,1,0,1,0,0|2,0,0]=4 73 B14R2.20 CC1=CN=C(C2=CC=C(Cl)C=C2)N1 E70202 [0,1,0,1,0,0|2,0,0]=4 74 B14R2.20 CC1=NC(C2=CC=C(Br)C=C2)=NN1 AT22775 [0,1,0,1,0,0|1,0,0]=3 75 B14R2.20 CC1=NC(C2=CC=C(N)C=C2)=NO1 E71382 [0,1,0,1,0,0|2,0,0]=4 76 B14R2.20 CC1=NN=C(C2=CC=C(Br)C=C2)N1 AT18625 [0,1,0,1,0,0|1,0,1]=4 77 B14R2.20 CC1=NN=C(C2=CC=C(N)C=C2)N1 AT12346 [0,1,0,1,0,0|1,0,1]=4 78 B14R2.20 NC1=CC(C2=CC=C(F)C=C2)=NO1 T71349 [0,1,0,1,0,0|2,0,0]=4 79 B14R2.20 NC1=CC=C(C2=CSC(N)=N2)C=C1 91146 [0,1,0,1,0,0|2,0,0]=4 80 B14R2.20 NC1=NC(C2=CC=C(Br)C=C2)=CO1 D85515 [0,1,0,1,0,0|2,0,0]=4 81 B14R2.20 NC1=NC(C2=CC=C(Br)C=C2)=NS1 31218 [0,1,0,1,0,0|1,0,0]=3 82 B14R2.20 NC1=NN=C(C2=CC=C(Br)C=C2)N1 C15964 [0,1,0,1,0,0|0,0,2]=4 83 B14R2.20 NC1=NN=C(C2=CC=C(F)C=C2)O1 90862 [0,1,0,1,0,0|1,0,1]=4 84 B14R2.20 NC1=NN=C(C2=CC=C(O)C=C2)S1 68154 [0,1,0,1,0,0|1,0,1]=4 85 B14R2.20 O=C1NN=C(C2=CC=C(Cl)C=C2)O1 AT26139 [0,1,0,1,0,0|2,0,0]=4 86 B14R2.5816 CC(=O)N1N=CC2=C1C=C(Br)C=C2 F18047 [0,1,0,1,0,0|2,0,0]=4 87 B14R2.5816 CC(=O)N1N=CC2=C1C=C(I)C=C2 F13174 [0,1,0,1,0,0|2,0,0]=4 88 B14R2.8 NCC1=CC(C2=CC=CC=C2)=NO1 C15962 [0,1,0,1,0,0|2,0,0]=4 89 B14R2.8 NCC1=COC(C2=CC=CC=C2)=N1 C15591 [0,1,0,1,0,0|2,0,0]=4 90 B14R2.8 NCC1=NC(C2=NC=CN=C2)=NN1 AT12163 [0,1,0,1,0,0|2,0,0]=4 91 B14R2.8 NCC1=NN(C2=CC=CC=C2)N=C1 W18951 [0,1,0,1,0,0|2,0,0]=4 92 B14R2.4514 CC1=C(N)C(C2=CC=CC=C2)=NO1 D76658 [0,1,0,1,0,0|2,0,0]=4 93 B14R2.4514 CC1=C(N)NN=C1C2=CC=NC=C2 AT23723 [0,1,0,1,0,0|2,0,0]=4 94 B10R1.18 CC(=O)[15NH]C1=CC=CC=C1 F21470 [0,0,0,0,2,0|2,0,0]=4 95 B10R1.18 N=C(N)CC1=CC=CC=C1 C15976 [0,0,0,0,2,0|0,0,1]=3 96 B10R1.18 N=C(N)NC1=NC=CC=N1 C90570 [0,0,0,0,2,0|2,0,0]=4 97 B10R1.18 [2H]C([2H])=CC1=CC=CC=C1 D99670 [0,0,0,0,2,0|2,0,0]=4