0 B6R1.2 BrC1=CC=CO1 CC02010 [0,0,0,0,0,0|3,0,0]=3 1 B6R1.2 ClC1=NC=CS1 MO07794 [0,0,0,0,0,0|3,0,0]=3 2 B6R1.2 IC1=NNC=C1 NP44481 [0,0,0,0,0,0|3,0,0]=3 3 B6R1.2 NC1=NC=NS1 MO09049 [0,0,0,0,0,0|3,0,0]=3 4 B6R1.2 SC1=NNC=N1 SB00858 [0,0,0,0,0,0|3,0,0]=3 5 B7R1.1 C#CC1=CC=CS1 CC13047 [0,1,0,0,0,0|2,0,1]=4 6 B7R1.1 CSC1=NCCN1 DP01481 [0,1,0,0,0,0|2,0,1]=4 7 B7R1.1 ClCC1=NOC=N1 SEW00285 [0,1,0,0,0,0|1,1,0]=3 8 B7R1.1 NCC1=CN=CS1 MO08602 [0,1,0,0,0,0|2,0,0]=3 9 B7R1.1 NCC1=CSC=C1 CC13113 [0,1,0,0,0,0|1,0,0]=2 10 B7R1.1 NCC1=NC=CS1 CC09513 [0,1,0,0,0,0|2,0,0]=3 11 B7R1.1 O=CC1=CC=CN1 CC08704 [0,1,0,0,0,0|1,0,2]=4 12 B7R1.1 O=CC1=CNC=N1 CC08804 [0,1,0,0,0,0|1,0,1]=3 13 B7R1.1 O=CC1=CSN=N1 SP01373 [0,1,0,0,0,0|1,0,1]=3 14 B7R1.1 OCC1=NC=CN1 CC08909 [0,1,0,0,0,0|2,0,0]=3 15 B7R1.1 OCC1=NC=CS1 CC09509 [0,1,0,0,0,0|2,0,0]=3 16 B7R1.2 BrC1=CSC(Br)=C1 CC28510 [0,1,0,0,0,0|2,0,0]=3 17 B7R1.2 BrC1=NNC(Br)=N1 MO07857 [0,1,0,0,0,0|3,0,0]=4 18 B7R1.2 CC1=CC(C)=NO1 TL00573 [0,1,0,0,0,0|2,0,0]=3 19 B7R1.2 CC1=COC(N)=N1 KM08202 [0,1,0,0,0,0|0,1,0]=2 20 B7R1.2 CC1=NC(I)=CN1 MO00831 [0,1,0,0,0,0|2,0,0]=3 21 B7R1.2 CN1C=CC(Cl)=N1 MO08357 [0,1,0,0,0,0|2,0,0]=3 22 B7R1.2 CN1C=CC(I)=N1 CC48311 [0,1,0,0,0,0|2,0,0]=3 23 B7R1.2 CN1C=CC(N)=N1 GK00321 [0,1,0,0,0,0|2,0,0]=3 24 B7R1.2 NC1=NC(=O)CS1 RH00879 [0,1,0,0,0,0|1,0,1]=3 25 B7R1.4 CC1=C(I)C=NO1 CC26311 [0,1,0,0,0,0|3,0,0]=4 26 B7R1.4 CN1N=CC=C1I CC62311 [0,1,0,0,0,0|2,0,0]=3 27 B7R1.4 CN1N=CC=C1N GK03066 [0,1,0,0,0,0|2,0,0]=3 28 B7R1.4 ClC1=C(Br)C=CS1 AC25875 [0,1,0,0,0,0|2,0,0]=3 29 B5R0.3 C\C(C=O)=C/N RH01431 [0,0,1,0,0,0|2,1,0]=4 30 B7R1.3 IC1=CC=NC=C1 MO00014 [0,0,0,0,0,1|3,0,0]=4 31 B7R1.3 NC1=NC=CN=N1 AC14623 [0,0,0,0,0,1|3,0,0]=4 32 B4R0.1 CSC(=N)N KM00619 [1,0,1,0,0,0|1,0,1]=4 33 B8R1.2 ClCC1=NC=CC=N1 MAY00188 [0,1,0,0,0,1|1,0,0]=3 34 B8R1.2 OCC1=NC=CN=C1 CC03409 [0,1,0,0,0,1|1,0,0]=3 35 B8R1.3 CC1=CN=C(N)C=N1 MO08458 [0,1,0,0,0,1|1,0,0]=3 36 B8R1.3 CC1=CN=C(O)C=C1 AC35768 [0,1,0,0,0,1|1,0,0]=3 37 B8R1.3 CC1=NNC(=O)C=C1 BTB06840 [0,1,0,0,0,1|1,0,0]=3 38 B8R1.3 CC1=NNC(=O)CC1 BTB06143 [0,1,0,0,0,1|1,0,1]=4 39 B8R1.3 NC1=CC=C(Br)N=N1 MO07086 [0,1,0,0,0,1|2,0,0]=4 40 B8R1.3 NC1=CC=C(Cl)N=N1 BTB05877 [0,1,0,0,0,1|2,0,0]=4 41 B8R1.3 NC1=CN=C(Cl)N=C1 NP43432 [0,1,0,0,0,1|2,0,0]=4 42 B8R1.3 NC1=NC=C(Br)N=C1 MO00943 [0,1,0,0,0,1|2,0,0]=4 43 B8R1.4 BrC1=CC=CC(Br)=N1 SB01233 [0,1,0,0,0,1|2,0,0]=4 44 B8R1.4 CC1=CC(Cl)=NC=N1 NP45412 [0,1,0,0,0,1|1,0,0]=3 45 B8R1.4 CC1=CN=CC(Cl)=N1 MO07699 [0,1,0,0,0,1|1,0,0]=3 46 B8R1.4 ClC1=CC(Cl)=NN=C1 MO08501 [0,1,0,0,0,1|2,0,0]=4 47 B8R1.4 FC1=NC=CC(I)=C1 MO07994 [0,1,0,0,0,1|2,0,0]=4 48 B8R1.4 NC1=CC=NC(Br)=C1 NP43741 [0,1,0,0,0,1|2,0,0]=4 49 B8R1.4 NC1=CC=NC(O)=C1 NP43208 [0,1,0,0,0,1|2,0,0]=4 50 B8R1.4 O=C1C=C(Cl)C=NN1 MO08305 [0,1,0,0,0,1|2,0,0]=4 51 B8R1.4 OC1=CC(Br)=CC=N1 NP43209 [0,1,0,0,0,1|2,0,0]=4 52 B8R1.4 OC1=CC(Cl)=CN=C1 SB00891 [0,1,0,0,0,1|2,0,0]=4 53 B8R1.4 OC1=NC=NC(Cl)=C1 MO07170 [0,1,0,0,0,1|2,0,0]=4 54 B8R1.5 CC1=C(Br)C=CC=N1 NP43686 [0,1,0,0,0,1|1,0,0]=3 55 B8R1.5 CC1=C(N)C=CC=N1 NP43763 [0,1,0,0,0,1|1,0,0]=3 56 B8R1.5 CC1=CC=CNC1=O CD09405 [0,1,0,0,0,1|1,0,1]=4 57 B8R1.5 FC1=NC=CC=C1I MO00359 [0,1,0,0,0,1|2,0,0]=4 58 B8R1.1 CC1=CC(CBr)=NO1 CC10408 [0,2,0,0,0,0|2,0,0]=4 59 B8R1.1 CC1=CC(CCl)=NO1 SPB01262 [0,2,0,0,0,0|2,0,0]=4 60 B8R1.1 CC1=CC(CN)=NO1 CC10413 [0,2,0,0,0,0|2,0,0]=4 61 B8R1.1 CC1=CC(CO)=NO1 CC10409 [0,2,0,0,0,0|2,0,0]=4 62 B8R1.1 CC1=CC=C(C#N)S1 CC65016 [0,2,0,0,0,0|2,0,0]=4 63 B8R1.1 CC1=CC=C(CN)S1 CC65063 [0,2,0,0,0,0|2,0,0]=4 64 B8R1.1 CC1=CSC(C=O)=N1 NP42935 [0,2,0,0,0,0|0,0,0]=2 65 B8R1.1 CC1=CSC(CN)=C1 CC30613 [0,2,0,0,0,0|1,0,0]=3 66 B8R1.1 CC1=NC(C=O)=CN1 SB01361 [0,2,0,0,0,0|1,0,1]=4 67 B8R1.1 CC1=NC(C=O)=CO1 CC57904 [0,2,0,0,0,0|0,1,1]=4 68 B8R1.1 CC1=NC(C=O)=CS1 CC05704 [0,2,0,0,0,0|0,0,1]=3 69 B8R1.1 CC1=NC(CCl)=CS1 CD09497 [0,2,0,0,0,0|0,0,0]=2 70 B8R1.1 CC1=NC(CN)=CS1 CC05713 [0,2,0,0,0,0|0,0,0]=2 71 B8R1.1 CC1=NC(CO)=CS1 CC05709 [0,2,0,0,0,0|0,0,0]=2 72 B8R1.1 CC1=NOC(CN)=C1 CC27013 [0,2,0,0,0,0|2,0,0]=4 73 B8R1.1 CC1=NOC(CO)=C1 CC27009 [0,2,0,0,0,0|2,0,0]=4 74 B8R1.1 CN1C=CC(CO)=N1 CC48309 [0,2,0,0,0,0|2,0,0]=4 75 B8R1.1 CN1C=NC(C#N)=C1 CC03616 [0,2,0,0,0,0|1,0,1]=4 76 B8R1.1 CN1C=NC(C=O)=C1 CC03604 [0,2,0,0,0,0|1,0,1]=4 77 B8R1.1 CN1C=NC(CN)=C1 CC03613 [0,2,0,0,0,0|1,0,0]=3 78 B8R1.1 ClCC1=NSC(Cl)=N1 SEW03081 [0,2,0,0,0,0|1,0,0]=3 79 B8R1.1 OCC1=CC(Br)=CS1 CC28509 [0,2,0,0,0,0|2,0,0]=4 80 B8R1.7 O=C(O)C1=CSC=C1 CC13101 [0,2,0,0,0,0|1,0,1]=4 81 B8R1.7 O=C(O)C1=CSN=N1 SEW00600 [0,2,0,0,0,0|1,0,1]=4 82 B8R1.11 CC1=C(C=O)C=CO1 CC55404 [0,2,0,0,0,0|2,0,0]=4 83 B8R1.11 CC1=C(C=O)NC=N1 SB01366 [0,2,0,0,0,0|1,0,0]=3 84 B8R1.11 CC1=C(C=O)SC=N1 NP42997 [0,2,0,0,0,0|0,0,0]=2 85 B8R1.11 CC1=C(CN)OC=C1 CC55513 [0,2,0,0,0,0|1,1,0]=4 86 B8R1.11 CC1=C(CO)C=CO1 CD10514 [0,2,0,0,0,0|1,1,0]=4 87 B8R1.11 CN1C=CC=C1CN CC02713 [0,2,0,0,0,0|1,0,1]=4 88 B8R1.11 CN1C=CN=C1CO CC20809 [0,2,0,0,0,0|2,0,0]=4 89 B8R1.11 CN1C=NC=C1CN CC23613 [0,2,0,0,0,0|1,0,1]=4 90 B8R1.11 CN1N=CC=C1C=O CC62304 [0,2,0,0,0,0|2,0,0]=4 91 B8R1.11 CN1N=CC=C1CO CC62309 [0,2,0,0,0,0|2,0,0]=4 92 B8R1.11 N#CC1=C(Br)SC=C1 CC56616 [0,2,0,0,0,0|1,0,1]=4 93 B8R1.11 N#CC1=C(N)SC=C1 GK01096 [0,2,0,0,0,0|1,0,1]=4 94 B8R1.11 NCC1=C(Br)SC=C1 SPB08448 [0,2,0,0,0,0|1,0,0]=3 95 B8R1.11 O=CC1=C(Br)C=CS1 SEW01928 [0,2,0,0,0,0|2,0,0]=4 96 B8R1.11 O=CC1=C(Br)SC=C1 CC56604 [0,2,0,0,0,0|1,0,1]=4 97 B8R1.11 O=CC1=C(Cl)C=CS1 SEW06567 [0,2,0,0,0,0|2,0,0]=4 98 B8R1.11 OCC1=CSC=C1Br CC54209 [0,2,0,0,0,0|1,0,0]=3 99 B8R1.18 CC1=NC(C)=C(Br)S1 CC05810 [0,2,0,0,0,0|0,0,0]=2 100 B8R1.18 CC1=NN(C)C(N)=C1 KM00001 [0,2,0,0,0,0|2,0,0]=4 101 B8R1.18 CN1C=C(Br)C(N)=N1 GK00323 [0,2,0,0,0,0|2,0,0]=4 102 B8R1.18 ClC1=C(Cl)NC(Br)=N1 KM01467 [0,2,0,0,0,0|2,0,0]=4 103 B8R1.50 CC1=NC=C(Br)N1C CC25110 [0,2,0,0,0,0|2,0,0]=4 104 B8R1.50 CC1=NNC(N)=C1Br KM01090 [0,2,0,0,0,0|2,0,0]=4 105 B8R1.50 CC1=NOC(C)=C1Br CC00610 [0,2,0,0,0,0|2,0,0]=4 106 B8R1.50 CC1=NOC(N)=C1C SB00914 [0,2,0,0,0,0|2,0,0]=4