0 B9R1.12 CCCCC1=CC=CO1 2H10-1-X2 [0,0,0,0,0,0|0,0,0]=0 1 B9R1.12 CCCCN1C=CN=C1 3H32-1-CJ [0,0,0,0,0,0|3,0,0]=3 2 B9R1.12 NCCCN1C=NC=N1 3H30-5-Z0 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.12 OCCCN1C=CN=C1 4H01-1-46 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.12 S=C=NCC1=CC=CO1 8H68-1-01 [0,0,0,0,0,0|2,0,1]=3 5 B8R1.8 CNCC1=CC=CO1 4H56-1-395 [1,0,0,0,0,0|1,0,0]=2 6 B8R1.8 CNCC1=CN=CS1 7H33-5-0A [1,0,0,0,0,0|2,1,0]=4 7 B8R1.8 CSCC1=CC=CO1 6H66-1-0X [1,0,0,0,0,0|1,0,0]=2 8 B8R1.8 FCCN1C=CC=N1 3H32-3-CG [1,0,0,0,0,0|3,0,0]=4 9 B8R1.8 N#CCC1=CC=CS1 7H37-1-N5 [1,0,0,0,0,0|1,1,1]=4 10 B8R1.8 NCCC1=CC=CS1 7H30-1-X0 [1,0,0,0,0,0|1,1,0]=3 11 B8R1.8 NCCC1=CNC=N1 3H30-5-V3 [1,0,0,0,0,0|3,0,0]=4 12 B8R1.8 NCCC1=CSC=C1 7H30-5-X3 [1,0,0,0,0,0|3,0,0]=4 13 B8R1.8 OCCC1=CC=CS1 6H01-1-01 [1,0,0,0,0,0|1,1,0]=3 14 B8R1.8 OCCC1=CNC=N1 4H56-1-833 [1,0,0,0,0,0|3,0,0]=4 15 B8R1.8 OCCC1=CSC=C1 6H01-1-12 [1,0,0,0,0,0|3,0,0]=4 16 B8R1.8 OCCN1C=CC=C1 4H01-1-66 [1,0,0,0,0,0|3,0,0]=4 17 B8R1.8 OCCN1C=CC=N1 4H01-1-U5 [1,0,0,0,0,0|3,0,0]=4 18 B8R1.8 O\N=C/C1=CC=CO1 4H47-1-Y2 [1,0,0,0,0,0|2,0,1]=4 19 B10R1.11 CCNC(=O)C1=CC=CN1 4H48-1-06G [0,1,0,0,0,0|2,0,1]=4 20 B10R1.11 CCOC(=O)C1=CC=CN1 P311-A-46 [0,1,0,0,0,0|2,0,1]=4 21 B10R1.11 CCOC(=O)C1=CC=CS1 6H23-1-02 [0,1,0,0,0,0|1,1,1]=4 22 B10R1.11 CCOC(=O)C1=CN=CO1 4H23-1-21 [0,1,0,0,0,0|2,0,1]=4 23 B10R1.11 N#CCC(=O)C1=CC=CO1 4H37-1-T5 [0,1,0,0,0,0|1,0,2]=4 24 B10R1.16 CCCCN1C=C(Br)C=N1 3H32-9-2Q [0,1,0,0,0,0|2,0,0]=3 25 B10R1.16 CCCC[N+]1=CN(C)C=C1 7H73-3-02 [0,1,0,0,0,0|3,0,0]=4 26 B10R1.16 COCCN1C=C(N)C=N1 4H30-1-8H [0,1,0,0,0,0|3,0,0]=4 27 B10R1.21 O=C=NCCC1=CC=CS1 8H49-1-00 [0,1,0,0,0,0|1,1,1]=4 28 B10R1.66 NC(=S)NCC1=CC=CO1 8H67-1-05 [0,1,0,0,0,0|2,0,1]=4 29 B10R2.7 C1=CC2=C(CCNC2)S1 7H66-5-64 [0,0,0,1,0,0|1,1,0]=3 30 B10R1.17 BrCCCC1=CC=CC=C1 1700-9-Z5 [0,0,0,0,0,1|2,0,0]=3 31 B10R1.17 BrCCOC1=CC=CC=C1 2607-9-X6 [0,0,0,0,0,1|3,0,0]=4 32 B10R1.17 CCNCC1=CC=CC=C1 3731-1-04 [0,0,0,0,0,1|2,0,0]=3 33 B10R1.17 CCNCC1=CC=CC=N1 3H31-1-3M [0,0,0,0,0,1|2,0,0]=3 34 B10R1.17 CNCCC1=CC=CC=N1 3H31-1-Q6 [0,0,0,0,0,1|2,0,0]=3 35 B10R1.17 COCSC1=CC=CC=C1 6666-1-0Q [0,0,0,0,0,1|3,0,0]=4 36 B10R1.17 ClCCSC1=CC=CC=C1 5666-5-04 [0,0,0,0,0,1|3,0,0]=4 37 B10R1.17 NCCCC1=CC=CC=C1 3H30-1-H6 [0,0,0,0,0,1|2,0,0]=3 38 B10R1.17 NCCNC1=CC=CC=N1 3H31-5-17 [0,0,0,0,0,1|3,0,0]=4 39 B10R1.17 NCCNC1=CC=NC=C1 3H31-5-18 [0,0,0,0,0,1|3,0,0]=4 40 B10R1.17 NCCOC1=CC=CC=C1 4656-1-Y0 [0,0,0,0,0,1|3,0,0]=4 41 B10R1.17 OCCCC1=CC=CC=N1 4H56-1-LM [0,0,0,0,0,1|2,0,0]=3 42 B10R1.17 OCCNC1=CC=CC=N1 4H56-1-FB [0,0,0,0,0,1|3,0,0]=4 43 B10R1.17 OCCNC1=CC=CC=N1 4H56-5-20 [0,0,0,0,0,1|3,0,0]=4 44 B10R1.17 OCCNC1=CC=NC=C1 4H56-1-DX [0,0,0,0,0,1|3,0,0]=4 45 B10R1.17 OCCOC1=CC=CC=C1 2607-1-06 [0,0,0,0,0,1|3,0,0]=4 46 B7R0.1 C=CCCCCCC 1300-1-08 [1,0,1,0,0,0|0,0,2]=4 47 B7R0.7 C=COC(=O)CCC 2324-1-10 [1,0,1,0,0,0|1,0,0]=3 48 B7R1.1 CCC1=CC=CN1 3H32-1-48 [2,0,0,0,0,0|1,0,0]=3 49 B7R1.1 CCC1=CC=CO1 2H10-1-17 [2,0,0,0,0,0|0,0,0]=2 50 B7R1.1 CCN1C=CC=C1 3H32-1-47 [2,0,0,0,0,0|2,0,0]=4 51 B7R1.1 CSC1=CC=CS1 5H66-1-X2 [2,0,0,0,0,0|1,1,0]=4 52 B7R1.1 NCC1=CC=CO1 4H56-1-1H [2,0,0,0,0,0|1,0,0]=3 53 B7R1.1 NCC1=CC=CS1 7H30-1-X3 [2,0,0,0,0,0|1,1,0]=4 54 B7R1.1 NCC1=CN=CO1 4H30-5-X0 [2,0,0,0,0,0|2,0,0]=4 55 B7R1.1 O=CC1=CC=CO1 2H15-1-14 [2,0,0,0,0,0|1,0,1]=4 56 B7R1.1 OCC1=CC=CO1 2H01-1-16 [2,0,0,0,0,0|1,0,0]=3 57 B7R1.1 OCC1=CC=CS1 6H01-1-X6 [2,0,0,0,0,0|1,1,0]=4 58 B9R0.2 CCCCC\C=C\B(O)O 6360-1-E3 [0,1,1,0,0,0|1,0,1]=4 59 B9R1.11 COC(=O)C1=CC=CO1 2H23-1-Y8 [1,1,0,0,0,0|1,0,1]=4 60 B9R1.11 CSC(=O)C1=CC=CO1 6H66-1-1C [1,1,0,0,0,0|1,0,1]=4 61 B9R1.13 CC(C)CC1=NC=CS1 7H70-1-28 [1,1,0,0,0,0|1,1,0]=4 62 B11R1.1 CCCCC1=CC=C(Br)C=C1 1700-9-W8 [0,1,0,0,0,1|1,0,0]=3 63 B11R1.1 OCCCC1=CC=C(Br)C=C1 2601-9-11 [0,1,0,0,0,1|2,0,0]=4 64 B11R1.1 OCCCC1=CC=C(Cl)C=C1 2701-5-X5 [0,1,0,0,0,1|2,0,0]=4 65 B11R1.16 O[C@@H](CCCl)C1=CC=CC=C1 2602-5-04 [0,1,0,0,0,1|2,0,0]=4 66 B11R1.24 CC1=CC=CC(CCCO)=N1 4H56-1-893 [0,1,0,0,0,1|2,0,0]=4 67 B11R1.24 CCCNC1=CC(Cl)=NC=N1 3H31-5-Y7 [0,1,0,0,0,1|2,0,0]=4 68 B11R1.24 CCCNC1=CC=CC(Br)=N1 3H33-D-0A [0,1,0,0,0,1|2,0,0]=4 69 B11R1.24 CCCOC1=CN=CC(C)=N1 4H56-1-413 [0,1,0,0,0,1|2,0,0]=4 70 B11R1.28 BrCCCCC1=CC=CC=C1 1700-9-Z4 [0,1,0,0,0,1|1,0,0]=3 71 B11R1.28 C#CCCCC1=CC=CC=C1 1900-1-Y0 [0,1,0,0,0,1|1,0,1]=4 72 B11R1.28 CCCCNC1=CC=CC=C1 3631-1-X4 [0,1,0,0,0,1|1,0,0]=3 73 B11R1.28 ClCCNCC1=CC=CC=C1 3731-5-X5 [0,1,0,0,0,1|2,0,0]=4 74 B11R1.28 NCCOCC1=CC=CC=C1 4756-5-X8 [0,1,0,0,0,1|2,0,0]=4 75 B11R1.28 OCCCCC1=CC=CC=C1 2701-1-00 [0,1,0,0,0,1|1,0,0]=3 76 B11R1.28 OCCNCC1=CC=CC=C1 4656-1-71 [0,1,0,0,0,1|2,0,0]=4 77 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 4756-1-53 [0,1,0,0,0,1|2,0,0]=4 78 B11R1.91 CC(N)CCC1=CC=CC=C1 3630-1-X9 [0,1,0,0,0,1|1,0,0]=3 79 B11R1.91 CC(O)CCC1=CC=CC=C1 2602-1-09 [0,1,0,0,0,1|1,0,0]=3 80 B11R1.91 CN(C)CCC1=CC=CC=N1 3H32-1-N6 [0,1,0,0,0,1|2,0,0]=4 81 B11R1.214 CCCCC1=NC(C=O)=CN1 4H15-1-U3 [0,2,0,0,0,0|2,0,0]=4 82 B11R1.214 CCCCC1=NC(CO)=CN1 4H56-1-1F [0,2,0,0,0,0|2,0,0]=4 83 B11R1.25 O=C(CCl)NCC1=CC=CO1 4H48-5-W2 [0,2,0,0,0,0|1,0,1]=4 84 B11R1.35 N[C@H](CC1=CC=CO1)C(=O)O 4H57-1-49 [0,2,0,0,0,0|1,0,1]=4 85 B9R2.2 C1=CC(C2CC2)=NN1 3H32-1-0G [1,0,0,1,0,0|2,0,0]=4 86 B11R2.1 NC1CCC2=CC=CC=C21 3630-5-X0 [0,0,0,1,0,1|2,0,0]=4 87 B11R2.1 NC1CCC2=CC=CC=C21 3730-1-47 [0,0,0,1,0,1|2,0,0]=4 88 B11R2.1 N[C@@H]1CCC2=CC=CC=C21 3730-5-Z1 [0,0,0,1,0,1|2,0,0]=4 89 B11R2.1 OC1CCC2=CC=CC=C21 2701-1-05 [0,0,0,1,0,1|2,0,0]=4 90 B11R2.20 C1=CC=C2CNCCC2=C1 3H31-1-X4 [0,0,0,1,0,1|2,0,0]=4 91 B11R2.20 C1=CC=C2COCCC2=C1 2H10-1-X8 [0,0,0,1,0,1|2,0,0]=4 92 B11R2.20 C1=CC=C2NCCCC2=C1 3H31-1-P9 [0,0,0,1,0,1|2,0,0]=4 93 B11R2.238 C1=CC=C(SC2CC2)C=C1 5666-1-X1 [0,0,0,1,0,1|2,0,0]=4 94 B11R2.2 C1=CNC(C2=NCCC2)=C1 3H32-1-X5 [0,1,0,1,0,0|1,0,1]=4 95 B11R2.2 C1=COC(C2CCCN2)=C1 4H56-1-G3 [0,1,0,1,0,0|0,0,0]=2 96 B11R2.2 C1=COC(C2OCCO2)=C1 2H10-1-1H [0,1,0,1,0,0|1,0,0]=3 97 B11R2.2 C1=CSC(C2CCCN2)=C1 7H70-1-Z7 [0,1,0,1,0,0|0,1,0]=3 98 B11R2.106 O=C1CCCC2=C1C=CN2 4H17-1-X4 [0,1,0,1,0,0|1,0,1]=4 99 B11R2.10 NC1=NC2=C(CCCC2)S1 7H70-1-Z0 [0,1,0,1,0,0|1,1,0]=4 100 B11R2.352 BrC1=CN(C2CCC2)N=C1 3H32-9-AP [0,1,0,1,0,0|2,0,0]=4 101 B11R2.352 NC1=CC(C2CCC2)=NN1 3H32-1-C1 [0,1,0,1,0,0|2,0,0]=4