0 B13R2.64 C1=CC=C(CC2CCCN2)C=C1 O28725 [0,0,0,0,0,0|1,0,3]=4 1 B13R2.64 C1=CC=C(CN2C=CC=N2)C=C1 P42997 [0,0,0,0,0,0|2,0,0]=2 2 B13R2.64 C1=CC=C(C[C@@H]2CCCN2)C=C1 P34775 [0,0,0,0,0,0|1,0,3]=4 3 B13R2.64 C1=CC=C(C[C@H]2CCCN2)C=C1 M23194 [0,0,0,0,0,0|1,0,3]=4 4 B14R2.19 NC1=CN(CC2=CC=CC=C2)N=C1 10173 [0,1,0,0,0,0|2,0,0]=3 5 B14R2.19 NC1=NC=C(CC2=CC=CC=C2)N1 L20079 [0,1,0,0,0,0|2,0,0]=3 6 B14R2.19 NC1=NNC(CC2=CC=CC=C2)=C1 O32250 [0,1,0,0,0,0|2,0,0]=3 7 B14R2.19 OC1=CN(CC2=CC=CC=C2)N=C1 Q61950 [0,1,0,0,0,0|2,0,0]=3 8 B14R2.19 S=C1N[C@@H](CC2=CC=CC=C2)CS1 O31172 [0,1,0,0,0,0|2,0,1]=4 9 B14R2.72 FC1=CC=C(CC2=CC=CS2)C=C1 I-9460 [0,1,0,0,0,0|2,0,0]=3 10 B14R2.72 NC1=CC=C(CC2=NN=NN2)C=C1 F-4428 [0,1,0,0,0,0|2,0,0]=3 11 B14R2.72 NC1=CC=C(CN2C=CC=N2)C=C1 P41302 [0,1,0,0,0,0|2,0,0]=3 12 B14R2.114 NC(C1=CC=CC=C1)C2=NN=CN2 L20274 [0,1,0,0,0,0|1,0,0]=2 13 B12R2.2 C1=CC(C2=CNC=N2)=CC=N1 O32331 [0,0,0,0,1,0|3,0,0]=4 14 B12R2.2 C1=CC(C2=NC=CN2)=CC=N1 P39787 [0,0,0,0,1,0|1,0,0]=2 15 B12R2.2 C1=CC(C2=NNC=C2)=CC=N1 P40457 [0,0,0,0,1,0|3,0,0]=4 16 B12R2.2 C1=CC=C(C2=CN=CO2)C=C1 O31913 [0,0,0,0,1,0|3,0,0]=4 17 B12R2.2 C1=CC=C(C2=CSC=C2)C=C1 Q67847 [0,0,0,0,1,0|3,0,0]=4 18 B12R2.2 C1=CC=C(C2=CSC=N2)C=C1 Q68031 [0,0,0,0,1,0|2,0,0]=3 19 B12R2.2 C1=CN=C(C2=CNC=N2)C=C1 O32730 [0,0,0,0,1,0|3,0,0]=4 20 B12R2.2 C1=CN=C(C2=NC=CN2)C=C1 P40266 [0,0,0,0,1,0|1,0,0]=2 21 B12R2.2 C1=CN=C(C2=NC=NN2)C=N1 Q65485 [0,0,0,0,1,0|3,0,0]=4 22 B12R2.2 C1=CN=CC(C2=NC=CN2)=C1 P41534 [0,0,0,0,1,0|1,0,0]=2 23 B12R2.2 C1=CN=CC(C2=NNC=C2)=C1 P38004 [0,0,0,0,1,0|3,0,0]=4 24 B12R2.98 C1=CNC(CC2=CC=CN2)=C1 Q68866 [0,0,0,0,1,0|2,0,0]=3 25 B14R2.6 C1=CC=C(CN2CC=CCC2)C=C1 G-6390 [0,0,0,0,0,1|3,0,0]=4 26 B14R2.6 C1=CC=C(NC2=CC=CN=C2)N=C1 L19594 [0,0,0,0,0,1|3,0,0]=4 27 B14R2.6 C1=CC=C(OC2=CC=CN=C2)C=C1 O31875 [0,0,0,0,0,1|2,0,0]=3 28 B11R1.40 C=C[C@@H](N)CC1=CC=CC=C1 P51547 [1,0,1,0,0,0|0,0,1]=3 29 B11R1.40 O=C(CC1=CC=CC=C1)NO P37592 [1,0,1,0,0,0|2,0,0]=4 30 B13R2.10 BrC1=CN(C2=CC=CC=C2)N=C1 P41047 [0,1,0,0,1,0|2,0,0]=4 31 B13R2.10 BrC1=NOC(C2=CC=CC=C2)=N1 O30312 [0,1,0,0,1,0|2,0,0]=4 32 B13R2.10 IC1=CC=C(C2=CC=CC=C2)S1 O32068 [0,1,0,0,1,0|2,0,0]=4 33 B13R2.10 NC1=NC(C2=CC=CC=C2)=CO1 O29740 [0,1,0,0,1,0|2,0,0]=4 34 B13R2.10 NC1=NC(C2=CC=CC=C2)=CS1 P39998 [0,1,0,0,1,0|2,0,0]=4 35 B13R2.10 NC1=NC=C(C2=CC=CC=C2)N1 P36661 [0,1,0,0,1,0|2,0,0]=4 36 B13R2.10 NC1=NNC(C2=CC=CC=C2)=C1 L14617 [0,1,0,0,1,0|2,0,0]=4 37 B13R2.10 NC1=NNC(C2=CC=CC=C2)=N1 O34051 [0,1,0,0,1,0|1,0,0]=3 38 B13R2.10 O=C1C=CN(C2=CC=CC=C2)N1 O34066 [0,1,0,0,1,0|2,0,0]=4 39 B13R2.10 O=C1NC(C2=CC=CC=C2)=CS1 G-7477 [0,1,0,0,1,0|2,0,0]=4 40 B13R2.12 BrC1=CC=C(C2=COC=N2)C=C1 O32395 [0,1,0,0,1,0|2,0,0]=4 41 B13R2.12 BrC1=CC=C(C2=NN=NN2)C=C1 Q67912 [0,1,0,0,1,0|2,0,0]=4 42 B13R2.12 BrC1=CC=C(C2=NOC=C2)C=C1 C-2423 [0,1,0,0,1,0|2,0,0]=4 43 B13R2.12 NC1=CC=C(C2=CC=CO2)C=C1 P37203 [0,1,0,0,1,0|2,0,0]=4 44 B13R2.12 NC1=CC=C(C2=NC=CN2)C=C1 M22913 [0,1,0,0,1,0|0,0,0]=2 45 B13R2.12 NC1=CC=C(C2=NN=NN2)C=C1 G-5363 [0,1,0,0,1,0|2,0,0]=4 46 B13R2.13 BrC1=CC(C2=CN=CN2)=CC=C1 P37568 [0,1,0,0,1,0|2,0,0]=4 47 B13R2.13 BrC1=CC(C2=NN=NN2)=CC=C1 Q67910 [0,1,0,0,1,0|2,0,0]=4 48 B13R2.13 CC1=CC(C2=NC=CN2)=CC=C1 L20283 [0,1,0,0,1,0|0,0,0]=2 49 B13R2.13 FC1=CC(C2=NN=NN2)=CC=C1 Q67924 [0,1,0,0,1,0|2,0,0]=4 50 B13R2.13 NC1=CC=CC(N2C=CC=N2)=C1 M22925 [0,1,0,0,1,0|2,0,0]=4 51 B13R2.13 NC1=CC=CC(N2N=CC=N2)=C1 I-9287 [0,1,0,0,1,0|1,0,1]=4 52 B13R2.13 OC1=CC=CC(C2=NC=CN2)=C1 P37659 [0,1,0,0,1,0|0,0,0]=2 53 B13R2.18 BrC1=CC=CC=C1C2=NC=CN2 Q65590 [0,1,0,0,1,0|0,0,0]=2 54 B13R2.18 NC1=CC=CC=C1C2=NN=NN2 N24648 [0,1,0,0,1,0|2,0,0]=4 55 B13R2.18 OC1=CC=CC=C1C2=CC=CS2 P42778 [0,1,0,0,1,0|2,0,0]=4 56 B13R2.18 OC1=CC=CC=C1C2=CN=CN2 P40174 [0,1,0,0,1,0|2,0,0]=4 57 B15R2.29 BrC1=CN=C(OC2=CC=CC=C2)C=C1 Q67762 [0,1,0,0,0,1|2,0,0]=4 58 B15R2.29 NC1=CC=C(OC2=CC=CC=C2)N=C1 P39350 [0,1,0,0,0,1|2,0,0]=4 59 B15R2.29 NC1=CC=C(OC2=NC=CC=N2)C=C1 M23176 [0,1,0,0,0,1|1,0,1]=4 60 B15R2.31 BrC1=CC(OC2=CC=CC=C2)=CN=C1 N25008 [0,1,0,0,0,1|2,0,0]=4 61 B15R2.31 BrC1=CN=CC(CC2=CC=CC=C2)=C1 Q69299 [0,1,0,0,0,1|1,0,0]=3 62 B15R2.31 BrC1=CN=CC(NC2=CC=CC=C2)=C1 N27170 [0,1,0,0,0,1|2,0,0]=4 63 B15R2.31 IC1=CC(OC2=CC=CC=C2)=NC=C1 N24676 [0,1,0,0,0,1|2,0,0]=4 64 B15R2.31 OC1=CC=CC(NC2=CC=CN=C2)=C1 Q69714 [0,1,0,0,0,1|2,0,0]=4 65 B15R2.38 IC1=CC=CN=C1OC2=CC=CC=C2 N27144 [0,1,0,0,0,1|2,0,0]=4 66 B15R2.38 NC1=CC=CN=C1OC2=CC=CC=C2 P39049 [0,1,0,0,0,1|2,0,0]=4 67 B15R2.100 FC1=CC=C(CSC2=NCCN2)C=C1 L18693 [0,1,0,0,0,1|0,0,2]=4 68 B15R2.283 NC1=NNC(OCC2=CC=CC=C2)=C1 O32692 [0,1,0,0,0,1|2,0,0]=4 69 B15R2.562 ClC1=CC=CC=C1CSC2=NCCN2 L18694 [0,1,0,0,0,1|0,0,2]=4 70 B15R2.1117 CC1=CC(CSC2=NCCN2)=CC=C1 L18697 [0,1,0,0,0,1|0,0,2]=4 71 B15R2.1259 NC(CN1N=CC=N1)C2=CC=CC=C2 L18843 [0,1,0,0,0,1|1,0,1]=4 72 B15R2.15 CNC1=CN(CC2=CC=CC=C2)N=C1 M22851 [0,2,0,0,0,0|2,0,0]=4 73 B15R2.98 FC1=CC=C(CC2=CC=C(I)S2)C=C1 G-7584 [0,2,0,0,0,0|2,0,0]=4 74 B15R2.98 NC1=CN(CC2=CC=C(F)C=C2)N=C1 O30038 [0,2,0,0,0,0|2,0,0]=4 75 B15R2.314 NC1=NN(CC2=CC=CC=C2)C=C1F Q53124 [0,2,0,0,0,0|2,0,0]=4 76 B15R2.325 CC1=CC(N)=NN1CC2=CC=CC=C2 S72598 [0,2,0,0,0,0|2,0,0]=4 77 B15R2.359 NC1=CC=NN1CC2=CC=CC=C2F C-2958 [0,2,0,0,0,0|2,0,0]=4 78 B15R2.91 O=C(C1=CC=C(Cl)C=C1)C2=CC=CN2 P51511 [0,2,0,0,0,0|1,0,1]=4 79 B13R2.1613 NNC1=NC=CC2=C1C=CC=C2 O30636 [0,0,1,1,0,0|1,0,1]=4 80 B13R2.1613 O=CC1=NC=CC2=CC=CC=C21 N25167 [0,0,1,1,0,0|1,0,1]=4 81 B13R2.328 NC1=CC2=C(C=CC=C2)C(Br)=N1 O30703 [0,0,1,1,0,0|1,0,1]=4 82 B13R2.328 NC1=NC(O)=C2C=CC=CC2=N1 P43339 [0,0,1,1,0,0|2,0,0]=4 83 B15R2.2195 C1=CC=C(COC2=NC=CC=C2)C=C1 N24293 [0,0,0,0,0,2|1,0,0]=3