0 B9R1.35 CC(=O)C1=CC(Br)=CS1 KM10200 [0,0,0,0,0,0|3,1,0]=4 1 B9R1.35 CC1=CC(C(=O)Cl)=NO1 CC10402 [0,0,0,0,0,0|3,1,0]=4 2 B9R1.35 CC1=CC(C(=O)O)=NN1 SPB07714 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.35 CC1=CC=C(C(=O)Cl)S1 CC65002 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.35 CC1=CSC(C(=O)O)=C1 GK01984 [0,0,0,0,0,0|3,0,0]=3 5 B9R1.35 CC1=CSC(C(=O)O)=N1 NP42936 [0,0,0,0,0,0|4,0,0]=4 6 B9R1.35 CC1=NC(C(=N)N)=CS1 SPB03559 [0,0,0,0,0,0|4,0,0]=4 7 B9R1.35 CC1=NC(C(=O)O)=CO1 CC57901 [0,0,0,0,0,0|2,1,0]=3 8 B9R1.35 CC1=NC(C(=O)O)=CS1 CC05701 [0,0,0,0,0,0|2,0,0]=2 9 B9R1.35 CC1=NC(C(N)=S)=CS1 SPB02802 [0,0,0,0,0,0|3,1,0]=4 10 B9R1.35 CC1=NOC(C(=O)Cl)=C1 CC27002 [0,0,0,0,0,0|4,0,0]=4 11 B9R1.35 CC1=NOC(C(=O)O)=C1 CC27001 [0,0,0,0,0,0|3,0,0]=3 12 B9R1.35 CN1C=C(C(=O)Cl)C=N1 CC77402 [0,0,0,0,0,0|4,0,0]=4 13 B9R1.35 CN1C=CC(C(=O)O)=N1 CC48301 [0,0,0,0,0,0|4,0,0]=4 14 B9R1.35 O=C(O)C1=CC(Br)=CS1 CC28501 [0,0,0,0,0,0|2,1,0]=3 15 B9R1.35 O=C(O)C1=CN=C(Cl)S1 CC62901 [0,0,0,0,0,0|2,0,0]=2 16 B8R1.1 CC1=NC(C=O)=CN1 SB01361 [1,0,0,0,0,0|3,0,0]=4 17 B8R1.1 CC1=NC(C=O)=CO1 CC57904 [1,0,0,0,0,0|2,1,0]=4 18 B8R1.1 CC1=NC(C=O)=CS1 CC05704 [1,0,0,0,0,0|2,0,0]=3 19 B8R1.1 CC1=NC(CO)=CS1 CC05709 [1,0,0,0,0,0|2,0,1]=4 20 B8R1.1 O=CC1=CC=C(Cl)S1 SEW03796 [1,0,0,0,0,0|2,0,0]=3 21 B8R1.7 CC(=O)C1=CC=NN1 SPB05355 [1,0,0,0,0,0|3,0,0]=4 22 B8R1.7 N=C(N)C1=COC=C1 MO00101 [1,0,0,0,0,0|2,1,0]=4 23 B8R1.7 NC(=S)C1=COC=C1 MO00105 [1,0,0,0,0,0|1,2,0]=4 24 B8R1.7 O=C(Cl)C1=CC=NO1 CC10302 [1,0,0,0,0,0|3,0,0]=4 25 B8R1.7 O=C(O)C1=CC=NO1 CC10301 [1,0,0,0,0,0|2,0,0]=3 26 B8R1.7 O=C(O)C1=CSC=C1 CC13101 [1,0,0,0,0,0|0,0,0]=1 27 B8R1.7 O=C(O)C1=CSN=N1 SEW00600 [1,0,0,0,0,0|2,0,0]=3 28 B8R1.7 O=C(O)C1=NC=CN1 CC08901 [1,0,0,0,0,0|3,0,0]=4 29 B8R1.7 O=C(O)C1=NC=CS1 CC09501 [1,0,0,0,0,0|3,0,0]=4 30 B8R1.7 O=C(O)C1=NNC=C1 NP44158 [1,0,0,0,0,0|2,0,0]=3 31 B8R1.7 O=C(O)C1=NON=C1 CC07901 [1,0,0,0,0,0|2,1,0]=4 32 B10R1.14 COC(=O)C1=NOC(C)=C1 CC10422 [0,1,0,0,0,0|2,1,0]=4 33 B10R1.31 CSC1=CC=C(C(=O)O)S1 SEW03638 [0,1,0,0,0,0|3,0,0]=4 34 B10R1.58 CC1=C(C)OC(C(=O)O)=C1 BTB08890 [0,1,0,0,0,0|3,0,0]=4 35 B10R1.58 CC1=CC(C(=O)O)=NN1C CC12601 [0,1,0,0,0,0|3,0,0]=4 36 B10R1.59 CC1=C(C(=O)O)SC(Br)=N1 MO00751 [0,1,0,0,0,0|2,1,0]=4 37 B10R1.59 CC1=CC(C(=O)Cl)=C(C)O1 CC01102 [0,1,0,0,0,0|2,1,0]=4 38 B10R1.59 CC1=NC(C(=O)O)=C(C)O1 CC26801 [0,1,0,0,0,0|2,1,0]=4 39 B10R1.59 CC1=NC(C)=C(C(=O)O)S1 CC05801 [0,1,0,0,0,0|3,0,0]=4 40 B10R1.59 CC1=NN(C)C(C(=O)O)=C1 CC12501 [0,1,0,0,0,0|3,0,0]=4 41 B10R1.59 O=C(Cl)C1=C(Cl)SC(Cl)=C1 CD09458 [0,1,0,0,0,0|1,0,0]=2 42 B10R1.194 O=C(O)C1=NSC(Cl)=C1Cl BTB12548 [0,1,0,0,0,0|1,0,0]=2 43 B10R1.13 CC(=O)C1=CC=C(Cl)N=C1 MO00162 [0,0,0,0,0,1|2,0,0]=3 44 B10R1.13 CC1=NC=C(C(=O)O)N=C1 SB01107 [0,0,0,0,0,1|2,0,0]=3 45 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 SPB06264 [0,0,0,0,0,1|3,0,0]=4 46 B10R1.13 O=C(O)C1=CN=C(Cl)N=C1 NP42947 [0,0,0,0,0,1|1,0,0]=2 47 B10R1.13 O=C(O)C1=NN=C(O)C=C1 BTB07063 [0,0,0,0,0,1|3,0,0]=4 48 B10R1.13 O=C([O-])C1=NN=C(Cl)C=C1 MAY00098 [0,0,0,0,0,1|2,0,1]=4 49 B10R1.113 CC(=O)C1=CC(Cl)=NC=C1 CC53628 [0,0,0,0,0,1|2,0,0]=3 50 B10R1.113 NC(=O)C1=CC(Cl)=NC=C1 SPB06910 [0,0,0,0,0,1|2,0,0]=3 51 B10R1.113 O=C(O)C1=CC(Cl)=NC=C1 SPB06649 [0,0,0,0,0,1|1,0,0]=2 52 B10R1.113 O=C(O)C1=CC=NC(Br)=C1 NP43738 [0,0,0,0,0,1|1,1,0]=3 53 B10R1.113 O=C(O)C1=NC(Cl)=NC=C1 MO08498 [0,0,0,0,0,1|2,0,0]=3 54 B10R1.113 OB(O)C1=CC(Cl)=NC=C1 MAY00028 [0,0,0,0,0,1|2,0,1]=4 55 B10R1.113 OB(O)C1=CC=CC(Cl)=C1 AC35900 [0,0,0,0,0,1|2,0,1]=4 56 B7R1.1 NCC1=CSC=C1 CC13113 [2,0,0,0,0,0|1,0,1]=4 57 B7R1.1 O=CC1=CC=CN1 CC08704 [2,0,0,0,0,0|2,0,0]=4 58 B7R1.1 O=CC1=CNC=N1 CC08804 [2,0,0,0,0,0|2,0,0]=4 59 B7R1.1 O=CC1=CSN=N1 SP01373 [2,0,0,0,0,0|2,0,0]=4 60 B7R1.2 BrC1=CSC(Br)=C1 CC28510 [2,0,0,0,0,0|1,1,0]=4 61 B9R1.11 COC(=O)C1=NNC=C1 MAY00321 [1,1,0,0,0,0|2,0,0]=4 62 B9R1.11 O=C(CBr)C1=CSC=C1 CC13105 [1,1,0,0,0,0|1,0,0]=3 63 B9R1.19 O=S(=O)(Cl)C1=CSC=C1 CC13103 [1,1,0,0,0,0|1,0,1]=4 64 B9R1.41 CC1=C(C(=O)O)OC=N1 CC10001 [1,1,0,0,0,0|2,0,0]=4 65 B9R1.41 CC1=C(C(=O)O)SC=N1 MO00777 [1,1,0,0,0,0|2,0,0]=4 66 B9R1.41 CC1=NOC=C1C(=O)O MO01252 [1,1,0,0,0,0|1,1,0]=4 67 B9R1.41 CN1C=NC=C1C(=O)O CC23601 [1,1,0,0,0,0|2,0,0]=4 68 B9R1.41 NC1=NSN=C1C(=O)O MAY00178 [1,1,0,0,0,0|2,0,0]=4 69 B9R1.41 O=C(O)C1=C(Br)C=CO1 CC67201 [1,1,0,0,0,0|2,0,0]=4 70 B9R1.41 O=C(O)C1=C(Br)OC=C1 CC64701 [1,1,0,0,0,0|0,1,0]=3 71 B9R1.41 O=[N+]([O-])C1=C(Cl)SC=C1 KM05335 [1,1,0,0,0,0|1,0,1]=4 72 B11R1.22 COC(=O)C1=CN=C(Cl)N=C1 MO07903 [0,1,0,0,0,1|1,0,0]=3 73 B11R1.22 NNC(=O)C1=CC=C(Cl)N=C1 SPB07126 [0,1,0,0,0,1|2,0,0]=4 74 B11R1.22 N\C(=N/O)C1=CC=C(Cl)C=C1 SPB06960 [0,1,0,0,0,1|2,0,0]=4 75 B11R1.22 O=C(CO)C1=CC=C(Br)C=C1 TL00596 [0,1,0,0,0,1|1,1,0]=4 76 B11R1.166 CC1=C(C(=O)O)C=CC(Cl)=C1 TL00910 [0,1,0,0,0,1|1,0,0]=3 77 B11R1.166 CC1=CC=C(C(=O)O)C(N)=C1 TL00555 [0,1,0,0,0,1|2,0,0]=4 78 B11R1.645 CC1=NC(CC(=O)O)=C(C)S1 TL01023 [0,1,0,0,0,1|2,0,0]=4 79 B11R1.23 COC(=O)C1=NC(Cl)=NC=C1 MO08502 [0,1,0,0,0,1|2,0,0]=4 80 B11R1.23 O=C(CBr)C1=CC(Cl)=NC=C1 CC53605 [0,1,0,0,0,1|2,0,0]=4 81 B11R1.74 CC1=CC(C(=O)O)=CC(O)=N1 MO00027 [0,1,0,0,0,1|2,0,0]=4 82 B11R1.74 CC1=NC(Cl)=CC(C(=O)O)=C1 RF03759 [0,1,0,0,0,1|1,0,0]=3 83 B11R1.74 NC1=CC(O)=CC(C(=O)O)=C1 MO07975 [0,1,0,0,0,1|2,0,0]=4 84 B11R1.74 O=C(O)C1=CC(O)=NC(O)=C1 SB00524 [0,1,0,0,0,1|2,0,0]=4 85 B11R1.159 CC(=O)C1=CC=CC(Cl)=C1O BTB10071 [0,1,0,0,0,1|2,0,0]=4 86 B11R1.159 NC1=C(C(=O)O)C=CC=C1Br MO07275 [0,1,0,0,0,1|1,1,0]=4 87 B11R1.159 O=C(O)C1=CC=NC(F)=C1F NP44677 [0,1,0,0,0,1|1,1,0]=4 88 B11R1.167 O=C(Cl)C1=C(Cl)N=CC(Cl)=C1 SPB06842 [0,1,0,0,0,1|2,0,0]=4 89 B11R1.266 NC(=O)C1=CC=CC(CCl)=C1 S08130 [0,1,0,0,0,1|2,0,0]=4 90 B11R1.15 CCOC(=O)C1=CSC(C)=N1 SPB02288 [0,2,0,0,0,0|2,0,0]=4 91 B11R1.44 COC(=O)C1=CC=C(CCl)O1 BLT00257 [0,2,0,0,0,0|2,0,0]=4 92 B11R1.44 COC(=O)C1=COC(CCl)=N1 MO00116 [0,2,0,0,0,0|1,1,0]=4 93 B11R1.225 COC(=O)C1=C(C)NC(C)=C1 SP00004 [0,2,0,0,0,0|2,0,0]=4 94 B11R1.175 O=C(O)C1=CSC([N+](=O)[O-])=C1 DFP00046 [0,2,0,0,0,0|1,0,0]=3 95 B11R1.672 CC1=CC(C(=O)O)=C(C)N1C CC08601 [0,2,0,0,0,0|2,0,0]=4 96 B11R1.64 COC1=C(Br)SC=C1C(=O)O KM00596 [0,2,0,0,0,0|0,1,0]=3 97 B9R1.6 O=C(O)C1=CN=CN=C1 CC07401 [0,0,1,1,0,0|2,0,0]=4 98 B9R1.2 O=CC1=CC(Br)=NC=C1 NP42975 [1,0,0,0,0,1|1,1,0]=4 99 B9R1.2 O=CC1=CC(Cl)=NC=C1 CC53604 [1,0,0,0,0,1|1,0,0]=3 100 B9R1.2 OCC1=CC(Cl)=CC=C1 SB01130 [1,0,0,0,0,1|1,0,1]=4 101 B9R1.2 OCC1=CC(Cl)=NC=C1 CC53609 [1,0,0,0,0,1|1,0,1]=4