0 B8R1.8 BrCCN1C=CC=N1 3H32-9-CK [0,0,0,0,0,0|3,0,0]=3 1 B8R1.8 NCCC1=CC=CS1 7H30-5-0B [0,0,0,0,0,0|0,0,0]=0 2 B8R1.8 NCCC1=CN=CN1 3H30-5-1X [0,0,0,0,0,0|2,0,0]=2 3 B8R1.8 NCCC1=NN=CS1 7H70-5-85 [0,0,0,0,0,0|2,0,0]=2 4 B8R1.8 NCCC1=NNC=C1 3H30-5-6U [0,0,0,0,0,0|2,0,0]=2 5 B7R1.1 CCC1=CSC=N1 7H70-1-2D [1,0,0,0,0,0|2,0,0]=3 6 B7R1.1 CCC1=NN=CO1 4H56-1-03D [1,0,0,0,0,0|2,1,0]=4 7 B7R1.1 ClCC1=NC=CS1 7H70-5-0G [1,0,0,0,0,0|2,0,0]=3 8 B7R1.1 NCC1=CNC=N1 3H30-1-JQ [1,0,0,0,0,0|2,0,0]=3 9 B7R1.1 NCC1=CNN=N1 3H32-1-BR [1,0,0,0,0,0|3,0,0]=4 10 B7R1.1 NCC1=NC=CO1 4H30-5-54 [1,0,0,0,0,0|1,1,0]=3 11 B7R1.1 NCC1=NNC=N1 3H30-1-JP [1,0,0,0,0,0|3,0,0]=4 12 B7R1.1 OCC1=NC=CN1 4H01-1-0W [1,0,0,0,0,0|3,0,0]=4 13 B9R1.7 CCCC1=CC=C(Br)S1 5H66-9-26 [0,1,0,0,0,0|1,0,0]=2 14 B9R1.11 NCC(O)C1=CC=CO1 4H30-1-T0 [0,1,0,0,0,0|0,1,0]=2 15 B9R1.12 ClCCCN1C=CC=N1 3H32-5-VH [0,1,0,0,0,0|3,0,0]=4 16 B9R1.12 O=CSCC1=CC=CO1 6H66-1-1D [0,1,0,0,0,0|1,1,1]=4 17 B9R1.13 NC(=S)NC1=NC=CS1 7H67-1-18 [0,1,0,0,0,0|2,0,1]=4 18 B9R1.33 CC1=C(CCCl)SC=N1 7H70-5-1T [0,1,0,0,0,0|2,0,0]=3 19 B9R1.33 CCCN1N=CC=C1Br 3H32-9-DJ [0,1,0,0,0,0|3,0,0]=4 20 B9R1.33 CCCN1N=CC=C1Cl 3H32-5-TK [0,1,0,0,0,0|3,0,0]=4 21 B9R1.33 CCCN1N=CC=C1O 4H01-1-DK [0,1,0,0,0,0|3,0,0]=4 22 B9R1.8 N#CCC1=CC=CN=N1 3H37-1-0D [0,0,0,0,0,1|1,0,2]=4 23 B9R1.8 NNCC1=CN=CC=N1 3H39-1-34 [0,0,0,0,0,1|2,0,0]=3 24 B9R1.8 NNCC1=CN=CN=C1 3H39-5-20 [0,0,0,0,0,1|3,0,0]=4 25 B9R1.8 NOCC1=CC=CN=C1 4H47-1-62 [0,0,0,0,0,1|2,0,0]=3 26 B6R0.6 C\C=C\C=C\CO 2301-1-X0 [1,0,1,0,0,0|2,0,0]=4 27 B6R1.2 ClC1=CC=CO1 2H10-5-0M [2,0,0,0,0,0|1,1,0]=4 28 B8R1.1 CCN1C=C(Cl)C=N1 3H32-5-UH [1,1,0,0,0,0|2,0,0]=4 29 B8R1.1 CCN1C=CC(Br)=N1 3H32-9-8A [1,1,0,0,0,0|2,0,0]=4 30 B8R1.1 ClCC1=CC=C(Cl)S1 5H66-5-12 [1,1,0,0,0,0|1,0,0]=3 31 B8R1.1 N#CC1=CC=C(O)S1 8H37-1-0A [1,1,0,0,0,0|0,0,2]=4 32 B8R1.1 NCC1=CC(Cl)=CS1 7H66-5-78 [1,1,0,0,0,0|0,0,0]=2 33 B8R1.1 NCC1=CC=C(Br)O1 4H56-9-8P [1,1,0,0,0,0|0,1,0]=3 34 B8R1.1 NCC1=NC=C(Br)S1 7H70-D-0A [1,1,0,0,0,0|1,0,0]=3 35 B8R1.1 O=CC1=CC(I)=CS1 6H15-H-00 [1,1,0,0,0,0|1,0,1]=4 36 B8R1.1 O=CC1=CC(O)=CS1 6H15-1-0J [1,1,0,0,0,0|1,0,1]=4 37 B8R1.1 O=CC1=CC=C(O)S1 6H15-1-0H [1,1,0,0,0,0|1,0,1]=4 38 B8R1.7 CC(C)N1C=CC=N1 3H32-1-CY [1,1,0,0,0,0|2,0,0]=4 39 B8R1.7 CC(N)C1=CC=CO1 4H56-1-1T [1,1,0,0,0,0|0,1,0]=3 40 B8R1.7 CC(N)C1=CN=CO1 4H30-1-39 [1,1,0,0,0,0|1,1,0]=4 41 B8R1.7 CC(N)C1=COC=C1 4H30-1-CY [1,1,0,0,0,0|2,0,0]=4 42 B8R1.7 FC(F)C1=CN=CS1 7H70-3-27 [1,1,0,0,0,0|2,0,0]=4 43 B8R1.7 FC(F)C1=NC=CS1 7H70-3-19 [1,1,0,0,0,0|2,0,0]=4 44 B8R1.11 CCN1N=CC=C1Cl 3H32-5-TN [1,1,0,0,0,0|2,0,0]=4 45 B8R1.11 O=CC1=C(Br)C=CS1 6H15-9-X4 [1,1,0,0,0,0|1,0,1]=4 46 B10R1.1 CCCC1=CC=C(F)C=C1 1700-3-14 [0,1,0,0,0,1|2,0,0]=4 47 B10R1.10 CC1=CC=CC(CCN)=N1 3H30-1-4S [0,1,0,0,0,1|1,0,0]=3 48 B10R1.15 CC[C@@H](O)C1=CC=CC=C1 2602-1-R4 [0,1,0,0,0,1|2,0,0]=4 49 B10R1.15 NCC(O)C1=CC=CC=N1 4H30-1-6H [0,1,0,0,0,1|1,0,0]=3 50 B10R1.17 CCCCC1=CC=NC=C1 3H32-1-JJ [0,1,0,0,0,1|2,0,0]=4 51 B10R1.17 CCOCC1=CC=CC=C1 2607-1-1V [0,1,0,0,0,1|2,0,0]=4 52 B10R1.17 NCCOC1=CC=NC=C1 4H56-5-NK [0,1,0,0,0,1|1,0,0]=3 53 B10R1.18 CC(C)CC1=CC=NC=C1 3H32-5-JC [0,1,0,0,0,1|2,0,0]=4 54 B10R1.18 C[C@@H](O)CC1=CC=CC=C1 2702-1-X0 [0,1,0,0,0,1|2,0,0]=4 55 B10R1.14 [C-]#[N+]C(C)C1=CC=C(C)S1 7H37-1-0U [0,2,0,0,0,0|2,0,0]=4 56 B10R1.16 CCNCC1=CN=C(Cl)S1 7H31-5-05 [0,2,0,0,0,0|2,0,0]=4 57 B10R1.54 CN(C)CC1=CC(Br)=CS1 7H66-9-20 [0,2,0,0,0,0|2,0,0]=4 58 B10R1.130 CC1=NC(C)=C(CCN)S1 7H70-1-51 [0,2,0,0,0,0|1,0,0]=3 59 B10R1.149 O=C(CBr)C1=C(Cl)C=CS1 6H66-D-06 [0,2,0,0,0,0|1,0,1]=4 60 B10R2.7 C1=NC=C2CCNC2=C1 3H31-1-19 [0,0,0,1,0,1|1,0,0]=3 61 B10R2.320 OC1CC2=CC=CC=C21 2602-1-0H [0,0,0,1,0,1|2,0,0]=4 62 B10R2.16 NC1(C2=CC=CO2)CC1 4H30-1-8U [0,1,0,1,0,0|1,1,0]=4 63 B10R2.16 NC1(C2=CN=CS2)CC1 7H70-5-0H [0,1,0,1,0,0|2,0,0]=4