0 B9R1.35 CC(=O)C1=CC(Br)=CS1 KM10200 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.35 CC1=CC(C(=O)Cl)=NO1 CC10402 [0,0,0,0,0,0|2,0,0]=2 2 B9R1.35 CC1=CC(C(=O)O)=NN1 SPB07714 [0,0,0,0,0,0|0,0,0]=0 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|2,0,0]=2 5 B9R1.35 CC1=CSC(C(=O)O)=N1 NP42936 [0,0,0,0,0,0|3,0,0]=3 6 B9R1.35 CC1=NC(C(=O)O)=CO1 CC57901 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.35 CC1=NC(C(=O)O)=CS1 CC05701 [0,0,0,0,0,0|3,0,0]=3 8 B9R1.35 CC1=NC(C(N)=S)=CN1 SB02117 [0,0,0,0,0,0|3,1,0]=4 9 B9R1.35 CC1=NOC(C(=O)Cl)=C1 CC27002 [0,0,0,0,0,0|2,0,1]=3 10 B9R1.35 CC1=NOC(C(=O)O)=C1 CC27001 [0,0,0,0,0,0|1,0,1]=2 11 B9R1.35 CN1C=C(C(=O)Cl)C=N1 CC77402 [0,0,0,0,0,0|3,0,1]=4 12 B9R1.35 CN1C=CC(C(=O)O)=N1 CC48301 [0,0,0,0,0,0|4,0,0]=4 13 B9R1.35 O=C(O)C1=CC(Br)=CS1 CC28501 [0,0,0,0,0,0|3,0,0]=3 14 B9R1.35 O=C(O)C1=CN=C(Cl)S1 CC62901 [0,0,0,0,0,0|3,0,1]=4 15 B8R1.1 CC1=CC(C#N)=NO1 CC10416 [1,0,0,0,0,0|2,0,1]=4 16 B8R1.1 CC1=CC(CBr)=NO1 CC10408 [1,0,0,0,0,0|2,0,1]=4 17 B8R1.1 CC1=CC(CCl)=NO1 SPB01262 [1,0,0,0,0,0|2,0,1]=4 18 B8R1.1 CC1=CC(CN)=NO1 CC10413 [1,0,0,0,0,0|2,0,1]=4 19 B8R1.1 CC1=CC(CO)=NO1 CC10409 [1,0,0,0,0,0|1,0,1]=3 20 B8R1.1 CC1=CSC(C=O)=N1 NP42935 [1,0,0,0,0,0|3,0,0]=4 21 B8R1.1 CC1=NC(C=O)=CN1 SB01361 [1,0,0,0,0,0|2,0,0]=3 22 B8R1.1 CC1=NC(C=O)=CO1 CC57904 [1,0,0,0,0,0|3,0,0]=4 23 B8R1.1 CC1=NC(C=O)=CS1 CC05704 [1,0,0,0,0,0|3,0,0]=4 24 B8R1.1 CC1=NOC(CO)=C1 CC27009 [1,0,0,0,0,0|1,0,2]=4 25 B8R1.1 CN1C=NC(C=O)=C1 CC03604 [1,0,0,0,0,0|2,0,0]=3 26 B8R1.7 CC(=O)C1=CC=NN1 SPB05355 [1,0,0,0,0,0|1,0,2]=4 27 B8R1.7 O=C(Cl)C1=CC=NO1 CC10302 [1,0,0,0,0,0|2,0,1]=4 28 B8R1.7 O=C(O)C1=CC=NO1 CC10301 [1,0,0,0,0,0|1,0,1]=3 29 B8R1.7 O=C(O)C1=CSC=C1 CC13101 [1,0,0,0,0,0|2,0,0]=3 30 B8R1.7 O=C(O)C1=CSN=N1 SEW00600 [1,0,0,0,0,0|1,0,1]=3 31 B8R1.7 O=C(O)C1=NC=CN1 CC08901 [1,0,0,0,0,0|2,0,0]=3 32 B8R1.7 O=C(O)C1=NC=CS1 CC09501 [1,0,0,0,0,0|2,0,0]=3 33 B8R1.7 O=C(O)C1=NNC=C1 NP44158 [1,0,0,0,0,0|0,0,0]=1 34 B8R1.7 O=C(O)C1=NON=C1 CC07901 [1,0,0,0,0,0|2,0,0]=3 35 B10R1.14 COC(=O)C1=CN(C)C=N1 CC03622 [0,1,0,0,0,0|2,0,0]=3 36 B10R1.14 COC(=O)C1=NOC(C)=C1 CC10422 [0,1,0,0,0,0|1,0,0]=2 37 B10R1.31 CSC1=CC=C(C(=O)O)S1 SEW03638 [0,1,0,0,0,0|3,0,0]=4 38 B10R1.55 CC1=CC(C(F)(F)F)=NN1 NP39860 [0,1,0,0,0,0|2,0,1]=4 39 B10R1.58 CC1=C(C)OC(C(=O)O)=C1 BTB08890 [0,1,0,0,0,0|2,0,0]=3 40 B10R1.58 CC1=CC(C(=O)Cl)=NN1C CC12602 [0,1,0,0,0,0|1,0,0]=2 41 B10R1.58 CC1=CC(C(=O)O)=NN1C CC12601 [0,1,0,0,0,0|0,0,0]=1 42 B10R1.59 CC1=CC(C(=O)Cl)=C(C)O1 CC01102 [0,1,0,0,0,0|3,0,0]=4 43 B10R1.59 CC1=NC(C(=O)O)=C(C)O1 CC26801 [0,1,0,0,0,0|3,0,0]=4 44 B10R1.59 CC1=NC(C)=C(C(=O)O)S1 CC05801 [0,1,0,0,0,0|2,0,1]=4 45 B10R1.59 CC1=NN(C)C(C(=O)O)=C1 CC12501 [0,1,0,0,0,0|0,0,2]=3 46 B10R1.194 O=C(O)C1=NSC(Cl)=C1Cl BTB12548 [0,1,0,0,0,0|2,0,0]=3 47 B10R1.13 CC1=NC=C(C(=O)O)N=C1 SB01107 [0,0,0,0,0,1|1,0,0]=2 48 B10R1.13 O=C(O)C1=CN=C(Cl)N=C1 NP42947 [0,0,0,0,0,1|2,0,1]=4 49 B10R1.13 O=C(O)C1=NN=C(O)C=C1 BTB07063 [0,0,0,0,0,1|1,0,1]=3 50 B10R1.13 O=C([O-])C1=NN=C(Cl)C=C1 MAY00098 [0,0,0,0,0,1|1,0,2]=4 51 B10R1.13 O=C1CCC(C(=O)O)=NN1 BTB07054 [0,0,0,0,0,1|1,0,1]=3 52 B10R1.113 O=C(O)C1=CC(Cl)=NC=C1 SPB06649 [0,0,0,0,0,1|2,0,1]=4 53 B10R1.113 O=C(O)C1=CC=NC(Br)=C1 NP43738 [0,0,0,0,0,1|2,0,1]=4 54 B7R1.1 O=CC1=CC=CN1 CC08704 [2,0,0,0,0,0|1,0,1]=4 55 B7R1.1 O=CC1=CNC=N1 CC08804 [2,0,0,0,0,0|2,0,0]=4 56 B7R1.1 O=CC1=CSN=N1 SP01373 [2,0,0,0,0,0|1,0,1]=4 57 B7R1.2 CC1=CC(C)=NO1 TL00573 [2,0,0,0,0,0|1,0,1]=4 58 B9R1.22 CC1=NN(C)C(C=O)=C1 CC12504 [1,1,0,0,0,0|0,0,2]=4 59 B9R1.23 CC1=C(C)OC(C=O)=C1 BTB08889 [1,1,0,0,0,0|2,0,0]=4 60 B9R1.23 CC1=CC(CO)=NN1C CC12609 [1,1,0,0,0,0|0,0,1]=3 61 B9R1.11 COC(=O)C1=NNC=C1 MAY00321 [1,1,0,0,0,0|0,0,0]=2 62 B9R1.41 NC1=NSN=C1C(=O)O MAY00178 [1,1,0,0,0,0|2,0,0]=4 63 B9R1.41 O=C(O)C1=C(Br)C=CO1 CC67201 [1,1,0,0,0,0|2,0,0]=4 64 B9R1.41 O=C(O)C1=C(Br)OC=C1 CC64701 [1,1,0,0,0,0|2,0,0]=4 65 B11R1.166 CC1=CC=C(C(=O)O)C(N)=C1 TL00555 [0,1,0,0,0,1|2,0,0]=4 66 B11R1.74 CC1=CC(C(=O)O)=CC(O)=N1 MO00027 [0,1,0,0,0,1|1,0,1]=4 67 B11R1.74 CC1=NC(Cl)=CC(C(=O)O)=C1 RF03759 [0,1,0,0,0,1|1,0,1]=4 68 B11R1.15 CCOC(=O)C1=CC(C)=NN1 SPB01217 [0,2,0,0,0,0|0,0,2]=4 69 B11R1.225 COC(=O)C1=C(C)NC(C)=C1 SP00004 [0,2,0,0,0,0|1,0,0]=3 70 B11R1.226 COC(=O)C1=CC(C)=C(Br)S1 CC29010 [0,2,0,0,0,0|2,0,0]=4 71 B11R1.865 COC(=O)C1=C(Cl)C(C)=CS1 GK01297 [0,2,0,0,0,0|2,0,0]=4 72 B11R1.865 COC(=O)C1=C(N)C(C)=CS1 SB01297 [0,2,0,0,0,0|2,0,0]=4 73 B11R1.672 CC1=CC(C(=O)O)=C(C)N1C CC08601 [0,2,0,0,0,0|1,0,0]=3 74 B9R1.6 O=C(O)C1=NC=CC=C1 CC04001 [0,0,1,1,0,0|1,0,1]=4