0 B13R2.64 C1=CC=C(CC2=NCCN2)C=C1 T5556 [0,0,0,0,0,0|0,0,2]=2 1 B13R2.64 C1=CC=C(CC2CCCN2)C=C1 B15290 [0,0,0,0,0,0|1,0,3]=4 2 B13R2.64 C1=CC=C(CN2CC=CC2)C=C1 B16950 [0,0,0,0,0,0|3,0,0]=3 3 B13R2.64 C1=CN=C(NC2=NC=CS2)C=C1 T17439 [0,0,0,0,0,0|3,0,0]=3 4 B14R2.19 NC1=NN=C(CC2=CC=CC=C2)O1 B8030 [0,1,0,0,0,0|2,0,0]=3 5 B14R2.19 NC1=NNC(CC2=CC=CC=C2)=C1 B14495 [0,1,0,0,0,0|2,0,0]=3 6 B14R2.19 NC1=NNC(CC2=CC=CC=C2)=C1 B14495 [0,1,0,0,0,0|2,0,0]=3 7 B14R2.19 O=C1N[C@@H](CC2=CC=CC=C2)CO1 B5889 [0,1,0,0,0,0|2,0,1]=4 8 B14R2.19 O=C1N[C@@H](CC2=CC=CC=C2)CO1 B5889 [0,1,0,0,0,0|2,0,1]=4 9 B14R2.19 O=C1N[C@H](CC2=CC=CC=C2)CO1 B7103 [0,1,0,0,0,0|2,0,1]=4 10 B14R2.19 O=C1N[C@H](CC2=CC=CC=C2)CO1 B7103 [0,1,0,0,0,0|2,0,1]=4 11 B14R2.19 S=C1N[C@@H](CC2=CC=CC=C2)CO1 B8746 [0,1,0,0,0,0|2,0,1]=4 12 B14R2.19 S=C1N[C@@H](CC2=CC=CC=C2)CS1 B9424 [0,1,0,0,0,0|2,0,1]=4 13 B14R2.19 S=C1N[C@H](CC2=CC=CC=C2)CO1 B8747 [0,1,0,0,0,0|2,0,1]=4 14 B14R2.19 S=C1N[C@H](CC2=CC=CC=C2)CS1 B9425 [0,1,0,0,0,0|2,0,1]=4 15 B14R2.72 NC1=CC=C(CN2C=NC=N2)C=C1 T3055 [0,1,0,0,0,0|3,0,0]=4 16 B14R2.72 NC1=CC=C(CN2C=NC=N2)C=C1 T9473 [0,1,0,0,0,0|3,0,0]=4 17 B14R2.114 O=C(C1=CC=CC=C1)C2=CC=CS2 B8533 [0,1,0,0,0,0|2,0,1]=4 18 B12R2.2 C1=CC=C(C2=CNN=N2)C=C1 P11522 [0,0,0,0,1,0|3,0,0]=4 19 B12R2.2 C1=CC=C(C2=CNN=N2)C=C1 P11522 [0,0,0,0,1,0|3,0,0]=4 20 B12R2.2 C1=CC=C(C2=NC=CN2)C=C1 P6187 [0,0,0,0,1,0|0,0,0]=1 21 B12R2.2 C1=CC=C(C2=NCCC2)C=C1 P14087 [0,0,0,0,1,0|1,0,2]=4 22 B12R2.2 C1=CC=C(N2C=CC=C2)C=C1 P16454 [0,0,0,0,1,0|3,0,0]=4 23 B14R2.6 C1=CC=C(CC2=CC=NC=C2)C=C1 B11585 [0,0,0,0,0,1|2,0,0]=3 24 B14R2.6 C1=CC=C(NC2=NC=CC=N2)C=C1 P17428 [0,0,0,0,0,1|1,0,1]=3 25 B14R2.101 C1=CC=C(CSC2=NN=NN2)C=C1 B4325 [0,0,0,0,0,1|2,0,0]=3 26 B14R2.101 C1=CC=C(CSC2=NN=NN2)C=C1 B4325 [0,0,0,0,0,1|2,0,0]=3 27 B11R1.28 C=CCNCC1=CC=CC=C1 A18060 [1,0,1,0,0,0|1,0,1]=4 28 B11R1.40 N\C(CC1=NC=CC=C1)=N\O H13806 [1,0,1,0,0,0|2,0,0]=4 29 B13R1.348 N=C(N)\N=C(/N)NC1=CC=CC=C1 P8098 [0,1,1,0,0,0|2,0,0]=4 30 B13R2.10 CC1=NN(C2=CC=CC=C2)C=C1 M7465 [0,1,0,0,1,0|2,0,0]=4 31 B13R2.10 NC1=NNC(C2=CC=CC=C2)=C1 A13600 [0,1,0,0,1,0|2,0,0]=4 32 B13R2.10 NC1=NNC(C2=CC=CC=C2)=C1 A18133 [0,1,0,0,1,0|2,0,0]=4 33 B13R2.10 NC1=NSC(C2=CC=CC=C2)=N1 P8100 [0,1,0,0,1,0|2,0,0]=4 34 B13R2.10 OC1=NC(C2=CC=CC=C2)=CS1 H8099 [0,1,0,0,1,0|2,0,0]=4 35 B13R2.12 CC1=CC=C(C2=NN=NN2)C=C1 T1395 [0,1,0,0,1,0|2,0,0]=4 36 B13R2.12 NC1=CC=C(C2=CC=CS2)C=C1 T1902 [0,1,0,0,1,0|2,0,0]=4 37 B13R2.12 OC1=CC=C(C2=CC=CS2)C=C1 T6479 [0,1,0,0,1,0|2,0,0]=4 38 B13R2.15 CN1C=CC=C1C2=CC=CN=C2 M15187 [0,1,0,0,1,0|2,0,0]=4 39 B13R2.18 BrC1=C(C2=NN=NN2)C=CC=C1 B3815 [0,1,0,0,1,0|2,0,0]=4 40 B13R2.18 ClC1=CC=CC=C1C2=NN=NN2 C7338 [0,1,0,0,1,0|2,0,0]=4 41 B13R2.18 IC1=CC=CC=C1C2=NN=NN2 I7337 [0,1,0,0,1,0|2,0,0]=4 42 B13R2.18 IC1=CC=CC=C1C2=NN=NN2 I7337 [0,1,0,0,1,0|2,0,0]=4 43 B15R2.29 BrC1=CC=C(CC2=CC=CC=C2)C=C1 B10934 [0,1,0,0,0,1|2,0,0]=4 44 B15R2.29 ClC1=CC=C(CC2=CC=CC=C2)C=C1 C9139 [0,1,0,0,0,1|2,0,0]=4 45 B15R2.29 ClC1=CC=C(CC2=NC=CC=C2)C=C1 P6925 [0,1,0,0,0,1|1,0,0]=3 46 B15R2.29 NC1=CC=C(CC2=CC=CC=C2)C=C1 B8335 [0,1,0,0,0,1|2,0,0]=4 47 B15R2.29 NC1=CC=C(OC2=CC=CC=C2)N=C1 A15201 [0,1,0,0,0,1|2,0,0]=4 48 B15R2.31 CC1=CC=NC(NC2=CC=CC=C2)=N1 M17404 [0,1,0,0,0,1|1,0,1]=4 49 B15R2.31 ClC1=NC=CC(NC2=CC=CC=C2)=N1 C17332 [0,1,0,0,0,1|2,0,0]=4 50 B15R2.31 NC1=CC=CC(CC2=CC=CC=C2)=C1 B8336 [0,1,0,0,0,1|2,0,0]=4 51 B15R2.31 NC1=NC(CC2=CC=CC=C2)=CC=C1 A14519 [0,1,0,0,0,1|1,0,0]=3 52 B15R2.38 BrC1=CC=CC=C1CC2=CC=CC=C2 B10935 [0,1,0,0,0,1|2,0,0]=4 53 B15R2.38 NC1=CC=CN=C1NC2=CC=CC=C2 A15136 [0,1,0,0,0,1|2,0,0]=4 54 B15R2.38 OC1=C(CC2=CC=CC=C2)C=CC=C1 B0181 [0,1,0,0,0,1|2,0,0]=4 55 B15R2.2226 NC(C1=CC=CC=C1)C2=CC=CC=C2 A8334 [0,1,0,0,0,1|2,0,0]=4 56 B15R2.2226 NC(C1=CC=CC=C1)C2=CC=CC=C2 A8334 [0,1,0,0,0,1|2,0,0]=4 57 B15R2.2226 NC(C1=CC=CC=C1)C2=CC=CC=C2 B9894 [0,1,0,0,0,1|2,0,0]=4 58 B15R2.283 NC1=NN=C(SCC2=CC=CC=C2)S1 B1419 [0,1,0,0,0,1|2,0,0]=4 59 B15R2.283 OC1=NSC(SCC2=CC=CC=C2)=N1 B10089 [0,1,0,0,0,1|2,0,0]=4 60 B15R2.91 O=C(C1=CC=C(Cl)C=C1)C2=NC=CS2 C10056 [0,2,0,0,0,0|1,0,1]=4 61 B15R3.15273 CC1=CC=CC2=C1N3C=NN=C3S2 T5078 [0,1,0,1,0,0|2,0,0]=4 62 B15R2.2195 C1=CC=C(COC2=CC=CC=C2)C=C1 B8370 [0,0,0,0,0,2|2,0,0]=4 63 B15R2.2195 C1=CC=C(CSC2=CC=CC=C2)C=C1 B9050 [0,0,0,0,0,2|2,0,0]=4 64 B15R2.2196 C1=CC=C(CNCC2=CC=CO2)C=C1 B8486 [0,0,0,0,0,2|2,0,0]=4 65 B15R2.2196 C1=CC=C(CNCC2=CC=CS2)C=C1 B9169 [0,0,0,0,0,2|2,0,0]=4