0 B8R1.11 CC1=C(C=O)C=CO1 CC55404 [0,0,0,0,0,0|2,0,0]=2 1 B8R1.11 CC1=C(C=O)NC=N1 SB01366 [0,0,0,0,0,0|3,0,0]=3 2 B8R1.11 CC1=C(C=O)SC=N1 NP42997 [0,0,0,0,0,0|3,0,0]=3 3 B8R1.11 CC1=C(CN)OC=C1 CC55513 [0,0,0,0,0,0|3,0,1]=4 4 B8R1.11 CC1=C(CO)C=CO1 CD10514 [0,0,0,0,0,0|2,0,2]=4 5 B8R1.11 CN1C=CC=C1CN CC02713 [0,0,0,0,0,0|1,0,1]=2 6 B8R1.11 CN1C=CN=C1CO CC20809 [0,0,0,0,0,0|1,0,2]=3 7 B8R1.11 CN1C=NC=C1C=O CC23604 [0,0,0,0,0,0|1,0,0]=1 8 B8R1.11 CN1C=NC=C1CN CC23613 [0,0,0,0,0,0|2,0,1]=3 9 B8R1.11 CN1N=CC=C1C=O CC62304 [0,0,0,0,0,0|1,0,0]=1 10 B8R1.11 CN1N=CC=C1CO CC62309 [0,0,0,0,0,0|1,0,2]=3 11 B8R1.11 O=CC1=C(Br)C=CS1 SEW01928 [0,0,0,0,0,0|3,0,0]=3 12 B8R1.11 O=CC1=C(Br)C=NN1 RF03950 [0,0,0,0,0,0|4,0,0]=4 13 B8R1.11 O=CC1=C(Br)SC=C1 CC56604 [0,0,0,0,0,0|3,0,0]=3 14 B8R1.11 O=CC1=C(Cl)C=CS1 SEW06567 [0,0,0,0,0,0|3,0,0]=3 15 B7R1.1 C#CC1=CC=CS1 CC13047 [1,0,0,0,0,0|2,0,1]=4 16 B7R1.1 O=CC1=CC=CN1 CC08704 [1,0,0,0,0,0|0,0,0]=1 17 B7R1.1 O=CC1=CNC=N1 CC08804 [1,0,0,0,0,0|1,0,1]=3 18 B7R1.1 O=CC1=CSN=N1 SP01373 [1,0,0,0,0,0|2,0,1]=4 19 B7R1.1 OCC1=NC=CN1 CC08909 [1,0,0,0,0,0|1,0,2]=4 20 B7R1.4 CN1N=CC=C1I CC62311 [1,0,0,0,0,0|2,0,0]=3 21 B7R1.4 CN1N=CC=C1N GK03066 [1,0,0,0,0,0|2,0,0]=3 22 B9R1.14 COC1=C(C=O)SC=C1 CC68604 [0,1,0,0,0,0|2,0,0]=3 23 B9R1.22 CC1=CC(C)=C(C=O)N1 CC18004 [0,1,0,0,0,0|2,0,0]=3 24 B9R1.22 CC1=NN(C)C(C=O)=C1 CC12504 [0,1,0,0,0,0|1,0,0]=2 25 B9R1.22 CC1=NN(C)C(CCl)=C1 CC12524 [0,1,0,0,0,0|2,0,1]=4 26 B9R1.22 CC1=NN(C)C(CO)=C1 CC12509 [0,1,0,0,0,0|1,0,2]=4 27 B9R1.27 CC1=COC(C)=C1C=O CC65804 [0,1,0,0,0,0|2,0,0]=3 28 B9R1.27 CC1=NOC(C)=C1C=O CC00604 [0,1,0,0,0,0|3,0,0]=4 29 B9R1.27 CN1N=CC(Br)=C1C=O MO00866 [0,1,0,0,0,0|1,0,0]=2 30 B9R1.33 CNCC1=CC=NN1C CC62346 [0,1,0,0,0,0|2,0,1]=4 31 B9R1.33 CNCC1=CN=CN1C CC23646 [0,1,0,0,0,0|2,0,1]=4 32 B9R1.41 CC1=C(C(=O)Cl)C=NO1 CC26302 [0,1,0,0,0,0|3,0,0]=4 33 B9R1.41 CC1=C(C(=O)Cl)OC=N1 CC10002 [0,1,0,0,0,0|3,0,0]=4 34 B9R1.41 CC1=C(C(=O)O)OC=N1 CC10001 [0,1,0,0,0,0|3,0,0]=4 35 B9R1.41 CC1=C(C(=O)O)SC=N1 MO00777 [0,1,0,0,0,0|3,0,0]=4 36 B9R1.41 CC1=NOC=C1C(=O)O MO01252 [0,1,0,0,0,0|3,0,0]=4 37 B9R1.41 CN1C=NC=C1C(=O)Cl CC23602 [0,1,0,0,0,0|1,0,0]=2 38 B9R1.41 CN1C=NC=C1C(=O)O CC23601 [0,1,0,0,0,0|1,0,0]=2 39 B9R1.41 O=C(Cl)C1=C(Br)C=CO1 CC67202 [0,1,0,0,0,0|3,0,0]=4 40 B9R1.41 O=C(Cl)C1=C(Cl)C=CS1 GK01307 [0,1,0,0,0,0|3,0,0]=4 41 B9R1.41 O=C(O)C1=C(Br)C=CO1 CC67201 [0,1,0,0,0,0|3,0,0]=4 42 B9R1.41 O=C(O)C1=C(Br)OC=C1 CC64701 [0,1,0,0,0,0|3,0,0]=4 43 B9R1.132 CC1=CC=C(CN)N1C SP01447 [0,1,0,0,0,0|1,0,1]=3 44 B9R1.132 CC1=NC=C(C=O)N1C CC25104 [0,1,0,0,0,0|1,0,0]=2 45 B9R1.2 CC1=CC=CC(CS)=C1 TL00469 [0,0,0,0,0,1|1,1,1]=4 46 B9R1.2 CC1=NC(CO)=CC=C1 RJC03579 [0,0,0,0,0,1|1,0,2]=4 47 B9R1.2 O=CC1=CC(Br)=NC=C1 NP42975 [0,0,0,0,0,1|3,0,0]=4 48 B9R1.2 O=CC1=CC(Cl)=NC=C1 CC53604 [0,0,0,0,0,1|3,0,0]=4 49 B9R1.2 O=CC1=NC(Br)=CC=C1 MO07535 [0,0,0,0,0,1|2,0,0]=3 50 B9R1.15 O=CC1=CC=NC=C1Br NP39808 [0,0,0,0,0,1|2,0,0]=3 51 B9R1.15 O=CC1=NC=CC=C1F CC30904 [0,0,0,0,0,1|2,0,0]=3 52 B6R1.2 BrC1=CC=CO1 CC02010 [2,0,0,0,0,0|2,0,0]=4 53 B8R1.1 CC1=CSC(C=O)=N1 NP42935 [1,1,0,0,0,0|1,0,1]=4 54 B8R1.1 CC1=NC(C=O)=CN1 SB01361 [1,1,0,0,0,0|1,0,1]=4 55 B8R1.1 CC1=NC(C=O)=CO1 CC57904 [1,1,0,0,0,0|1,0,1]=4 56 B8R1.1 CC1=NC(C=O)=CS1 CC05704 [1,1,0,0,0,0|1,0,1]=4 57 B8R1.1 CN1C=NC(C=O)=C1 CC03604 [1,1,0,0,0,0|1,0,1]=4 58 B8R1.1 O=CC1=CC=C(Cl)S1 SEW03796 [1,1,0,0,0,0|1,0,0]=3 59 B8R1.7 CC(=O)C1=CC=NN1 SPB05355 [1,1,0,0,0,0|1,0,0]=3 60 B8R1.7 O=C(Cl)C1=CC=NO1 CC10302 [1,1,0,0,0,0|2,0,0]=4 61 B8R1.7 O=C(O)C1=CC=NO1 CC10301 [1,1,0,0,0,0|2,0,0]=4 62 B8R1.7 O=C(O)C1=CSC=C1 CC13101 [1,1,0,0,0,0|2,0,0]=4 63 B8R1.7 O=C(O)C1=NC=CN1 CC08901 [1,1,0,0,0,0|1,0,0]=3 64 B8R1.7 O=C(O)C1=NC=CS1 CC09501 [1,1,0,0,0,0|1,0,1]=4 65 B8R1.7 O=C(O)C1=NNC=C1 NP44158 [1,1,0,0,0,0|1,0,1]=4 66 B8R1.7 O=[N+]([O-])C1=CC=NN1 FM00165 [1,1,0,0,0,0|2,0,0]=4 67 B8R1.18 CC1=NN(C)C(N)=C1 KM00001 [1,1,0,0,0,0|2,0,0]=4 68 B8R1.50 CC1=NC=C(Br)N1C CC25110 [1,1,0,0,0,0|1,0,1]=4 69 B10R1.30 O=CC1=C(I)C=CC(O)=C1 MO07995 [0,1,0,0,0,1|2,0,0]=4 70 B10R1.113 CC1=CC=CC(C(=N)N)=C1 SPB08395 [0,1,0,0,0,1|2,0,0]=4 71 B10R1.172 N#CC1=CC=CC(C=O)=C1 SEW02565 [0,1,0,0,0,1|1,0,1]=4 72 B10R1.172 O=CC1=CC(CBr)=CC=C1 MO07388 [0,1,0,0,0,1|1,0,0]=3 73 B10R1.61 CC(=O)C1=C(C)N=CC=N1 SB01015 [0,1,0,0,0,1|2,0,0]=4 74 B10R1.61 CC1=C(C(=O)O)C=CC=N1 NP39732 [0,1,0,0,0,1|1,0,0]=3 75 B10R1.61 CC1=C(C(=O)O)C=NC=C1 SB01942 [0,1,0,0,0,1|1,0,0]=3 76 B10R1.61 NC1=C(C(=O)O)C=CN=C1 SP00054 [0,1,0,0,0,1|2,0,0]=4 77 B10R1.61 NC1=C(C(=O)O)C=NC=C1 MAY00123 [0,1,0,0,0,1|2,0,0]=4 78 B10R1.61 O=C(O)C1=C(Cl)C=CN=C1 NP44172 [0,1,0,0,0,1|2,0,0]=4 79 B10R1.61 O=C(O)C1=CC=NC=C1Br NP44275 [0,1,0,0,0,1|2,0,0]=4 80 B10R1.39 COC1=C(C(=O)O)SC=C1 CC68601 [0,2,0,0,0,0|2,0,0]=4 81 B10R1.59 CC(=O)C1=C(C)C=C(C)N1 SEW06333 [0,2,0,0,0,0|2,0,0]=4 82 B10R1.59 CC1=CC(C(=O)Cl)=C(C)O1 CC01102 [0,2,0,0,0,0|2,0,0]=4 83 B10R1.59 CC1=NN(C)C(C(=O)O)=C1 CC12501 [0,2,0,0,0,0|1,0,0]=3 84 B10R1.59 CC1=NN(C)C(C(N)=S)=C1 CC12518 [0,2,0,0,0,0|1,1,0]=4 85 B10R1.192 CC1=COC(C)=C1C(=O)Cl CC65802 [0,2,0,0,0,0|2,0,0]=4 86 B10R1.192 CC1=COC(C)=C1C(=O)O CC65801 [0,2,0,0,0,0|2,0,0]=4 87 B10R1.149 CN1C=NC=C1C(=O)NN CC23627 [0,2,0,0,0,0|1,0,0]=3 88 B10R1.149 COC(=O)C1=CN=CN1C TL00659 [0,2,0,0,0,0|1,0,0]=3 89 B10R1.65 CN1N=CC=C1S(=O)(=O)Cl CC62303 [0,2,0,0,0,0|2,0,0]=4 90 B8R1.5 CC1=CC=CNC1=O CD09405 [0,0,1,1,0,0|2,0,0]=4