0 B16R2.2256 C1=CC=C(CNCC2=CC=CC=C2)C=C1 7523 [0,0,0,0,0,0|1,0,0]=1 1 B16R2.2256 C1=CC=C(CSCC2=CC=CC=C2)C=C1 10847 [0,0,0,0,0,0|0,1,0]=1 2 B17R2.143 O=S(CC1=CC=CC=C1)CC2=CC=CC=C2 10867 [0,1,0,0,0,0|0,1,0]=2 3 B17R2.2342 C[C@@H](NCc1ccccc1)c2ccccc2 5974 [0,1,0,0,0,0|1,0,0]=2 4 B17R2.2342 C[C@H](NCc1ccccc1)c2ccccc2 5973 [0,1,0,0,0,0|1,0,0]=2 5 B17R2.2342 O=C(COC1=CC=CC=C1)C2=CC=CC=C2 28257 [0,1,0,0,0,0|2,0,1]=4 6 B17R2.2342 O=C(OCC1=CC=CC=C1)C2=CN=CC=C2 14115 [0,1,0,0,0,0|1,0,1]=3 7 B17R2.5301 ClC1=CC(COCC2=CC=CC=C2)=NC=N1 27057 [0,1,0,0,0,0|2,0,0]=3 8 B17R3.8 C1=CC=C(C2=NNC3=CC=CC=C32)C=C1 11855 [0,0,0,1,0,0|2,0,1]=4 9 B17R3.8 C1=CC=C(C2C=CC3=CC=CC=C32)C=C1 15077 [0,0,0,1,0,0|1,0,1]=3 10 B17R3.8 C1=CC=C(N2C=CC3=CC=CC=C32)C=C1 23692 [0,0,0,1,0,0|2,0,1]=4 11 B17R3.8 C1=CC=C(N2C=NC3=C2C=CC=C3)C=C1 19972 [0,0,0,1,0,0|3,0,0]=4 12 B17R3.1927 c1ccc([C@H]2O[C@@H]2c3ccccc3)cc1 6020 [0,0,0,1,0,0|0,0,0]=1 13 B15R2.2195 C1=CC=C(CCC2=CC=CC=C2)C=C1 7518 [0,0,0,0,1,0|0,0,0]=1 14 B15R2.2195 C1=CC=C(CNC2=CC=CC=C2)C=C1 35030 [0,0,0,0,1,0|1,0,0]=2 15 B15R2.2195 C1=CC=C(CNC2=CC=NC=C2)C=C1 19071 [0,0,0,0,1,0|2,0,0]=3 16 B15R2.2195 C1=CC=C(CSC2=CC=CC=C2)C=C1 13528 [0,0,0,0,1,0|0,1,0]=2 17 B15R2.2195 C1=CC=C(NNC2=CC=CC=C2)C=C1 16518 [0,0,0,0,1,0|2,0,0]=3 18 B15R2.2195 C1=CC=C(SSC2=CC=CC=C2)C=C1 9112 [0,0,0,0,1,0|1,1,0]=3 19 B15R2.2195 C1=CC=C(\C=C\C2=CC=CC=C2)C=C1 29335 [0,0,0,0,1,0|0,0,2]=3 20 B17R2.2382 C1=CC=C(CSSCC2=CC=CC=C2)C=C1 10806 [0,0,0,0,0,1|0,1,0]=2 21 B17R2.2382 C1=CC=C(OCCOC2=CC=CC=C2)C=C1 2389 [0,0,0,0,0,1|2,0,0]=3 22 B16R2.71 BrC1=C(OCC2=CC=CC=C2)C=CC=C1 3064 [0,1,0,0,1,0|0,0,0]=2 23 B16R2.71 NC1=C(OCC2=CC=CC=C2)C=CC=C1 26298 [0,1,0,0,1,0|0,0,0]=2 24 B16R2.71 NC1=NC=CC=C1OCC2=CC=CC=C2 2575 [0,1,0,0,1,0|1,0,0]=3 25 B16R2.71 NC1=NC=CN=C1OCC2=CC=CC=C2 19570 [0,1,0,0,1,0|2,0,0]=4 26 B16R2.71 OC1=C(OCC2=CC=CC=C2)C=CC=C1 19138 [0,1,0,0,1,0|0,0,0]=2 27 B16R2.88 O=C(OC1=CC=CC=C1)C2=CC=CC=C2 26427 [0,1,0,0,1,0|0,0,1]=3 28 B16R2.132 BrC1=CC=C(OCC2=CC=CC=C2)C=C1 13186 [0,1,0,0,1,0|0,0,0]=2 29 B16R2.132 BrC1=CN=C(OCC2=CC=CC=C2)C=C1 22134 [0,1,0,0,1,0|1,0,0]=3 30 B16R2.132 ClC1=NC=C(OCC2=CC=CC=C2)C=N1 32255 [0,1,0,0,1,0|2,0,0]=4 31 B16R2.132 NC1=CC=C(C#CC2=CC=CC=C2)C=C1 32350 [0,1,0,0,1,0|0,0,2]=4 32 B16R2.132 NC1=CC=C(OCC2=CC=CC=C2)C=C1 21343 [0,1,0,0,1,0|0,0,0]=2 33 B16R2.132 OC1=CC=C(OCC2=CC=CC=C2)C=C1 10471 [0,1,0,0,1,0|0,0,0]=2 34 B16R2.132 [O-][n+]1ccc(OCc2ccccc2)cc1 2123 [0,1,0,0,1,0|1,0,0]=3 35 B16R2.252 BrC1=CC=CC(OCC2=CC=CC=C2)=C1 3065 [0,1,0,0,1,0|0,0,0]=2 36 B16R2.252 BrC1=CC=CC(OCC2=CC=CC=C2)=N1 4062 [0,1,0,0,1,0|1,0,0]=3 37 B16R2.252 BrC1=NC(OCC2=CC=CC=C2)=NC=C1 34620 [0,1,0,0,1,0|2,0,0]=4 38 B16R2.252 CC1=CC(NCC2=CC=CC=C2)=NC=C1 5759 [0,1,0,0,1,0|2,0,0]=4 39 B16R2.252 CC1=CC=CC(OCC2=CC=CC=C2)=C1 36139 [0,1,0,0,1,0|0,0,0]=2 40 B16R2.252 ClC1=CC(OCC2=CC=CC=C2)=NC=N1 34288 [0,1,0,0,1,0|2,0,0]=4 41 B16R2.252 ClC1=CN=CC(OCC2=CC=CC=C2)=N1 13516 [0,1,0,0,1,0|2,0,0]=4 42 B16R2.252 FC1=CC=CC(OCC2=CC=CC=C2)=C1 27424 [0,1,0,0,1,0|0,0,0]=2 43 B16R2.252 IC1=CC=CC(OCC2=CC=CC=C2)=C1 3066 [0,1,0,0,1,0|0,0,0]=2 44 B16R2.252 NC1=CC(OCC2=CC=CC=C2)=CC=C1 31938 [0,1,0,0,1,0|0,0,0]=2 45 B16R2.252 OC1=CC(OCC2=CC=CC=C2)=CC=C1 27115 [0,1,0,0,1,0|0,0,0]=2 46 B18R2.7189 O=C(CCCC1=CC=CC=C1)C2=CC=CC=C2 8921 [0,1,0,0,0,1|1,0,0]=3 47 B18R2.7189 O[C@@H](CNCC1=CC=CC=C1)C2=CC=CC=C2 13837 [0,1,0,0,0,1|1,0,0]=3 48 B18R2.7189 O[C@H](CNCC1=CC=CC=C1)C2=CC=CC=C2 13839 [0,1,0,0,0,1|1,0,0]=3 49 B18R2.7204 CC(OC1=CC=CC=C1)C(O)C2=CC=CC=C2 34718 [0,2,0,0,0,0|2,0,0]=4 50 B18R2.253 O=C(OCC1=CC=CC=C1)C2=CC=C(O)C=C2 36225 [0,2,0,0,0,0|0,0,1]=3 51 B18R2.3634 C[C@@H](N[C@H](C)c1ccccc1)c2ccccc2 19410 [0,2,0,0,0,0|1,0,0]=3 52 B18R2.3634 C[C@@H](N[C@H](C)c1ccccc1)c2ccccc2 5869 [0,2,0,0,0,0|1,0,0]=3 53 B18R2.3634 C[C@H](N[C@@H](C)c1ccccc1)c2ccccc2 8138 [0,2,0,0,0,0|1,0,0]=3 54 B18R2.3634 O=C(OC(=O)C1=CC=CC=C1)C2=CC=CC=C2 27409 [0,2,0,0,0,0|0,0,2]=4 55 B18R2.4001 O=C(CCC1=CC=CC=C1)C2=C(O)C=CC=C2 23377 [0,2,0,0,0,0|1,0,1]=4 56 B18R3.2098 C1=CC=C(CC2=NNC3=CC=CC=C32)C=C1 11852 [0,0,0,1,0,1|2,0,0]=4 57 B18R3.2108 C1=CC=C(C2NCCC3=CC=CC=C32)C=C1 13159 [0,0,0,1,0,1|1,0,0]=3 58 B18R3.2108 C1=CC=C([C@@H]2NCCC3=CC=CC=C32)C=C1 10575 [0,0,0,1,0,1|1,0,0]=3 59 B18R3.2108 C1=CC=C([C@@H]2NCCC3=CC=CC=C32)C=C1 14805 [0,0,0,1,0,1|1,0,0]=3 60 B18R3.182 O=C1CC2=CC=CC=C2N1C3=CC=CC=C3 8946 [0,1,0,1,0,0|2,0,0]=4 61 B18R3.12875 C1=CC=C(CN2CC3=CC=CN=C3C2)C=C1 23132 [0,1,0,1,0,0|2,0,0]=4 62 B18R3.4253 ClC1=CC2=C(C3=CC=CC=C3)ON=C2C=C1 8713 [0,1,0,1,0,0|1,0,1]=4 63 B18R3.11551 O=C1CC(C2=CC=CC=C2)C3=CC=CC=C13 15057 [0,1,0,1,0,0|1,0,1]=4 64 B14R2.6 C1=CC=C(OC2=CC=CC=C2)C=C1 9111 [0,0,0,0,2,0|0,0,0]=2 65 B14R2.6 C1=CC=C(SC2=CC=CC=C2)C=C1 10681 [0,0,0,0,2,0|0,1,0]=3 66 B14R2.6 C1=CC=C([I+]C2=CC=CC=C2)C=C1 35589 [0,0,0,0,2,0|1,0,0]=3 67 B14R2.6 C1=CC=C([I+]C2=CC=CC=C2)C=C1 35742 [0,0,0,0,2,0|1,0,0]=3 68 B14R2.101 C1=CC=C(CON2C=CN=C2)C=C1 31817 [0,0,0,0,2,0|2,0,0]=4