0 B9R1.8 BrCCC1=NC=CC=C1 B050856 [0,0,0,0,0,0|2,0,1]=3 1 B9R1.8 CNCC1=CC=CC=N1 B059678 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.8 CNCC1=NC=CN=C1 B050431 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.8 ClCCC1=NC=CC=C1 B050813 [0,0,0,0,0,0|2,0,1]=3 4 B9R1.8 NOCC1=CC=CC=C1 B022277 [0,0,0,0,0,0|2,0,0]=2 5 B8R1.2 NCC1=NC=CN=C1 B050555 [1,0,0,0,0,0|3,0,0]=4 6 B10R1.1 CC1=CC=C(CON)C=C1 B018552 [0,1,0,0,0,0|2,0,0]=3 7 B10R1.1 CNCC1=CC=C(O)C=C1 B039566 [0,1,0,0,0,0|2,0,0]=3 8 B10R1.10 CNCC1=CC(O)=CC=C1 B039552 [0,1,0,0,0,0|2,0,0]=3 9 B10R1.15 C#CC(=O)C1=CC=CC=C1 B048976 [0,1,0,0,0,0|1,0,2]=4 10 B10R1.15 CCC(N)C1=CC=CC=C1 B006605 [0,1,0,0,0,0|1,0,1]=3 11 B10R1.15 N\C(=N/O)C1=CC=CC=C1 B020566 [0,1,0,0,0,0|1,0,2]=4 12 B10R1.17 BrCCCC1=CN=CC=C1 B050854 [0,1,0,0,0,0|2,0,1]=4 13 B10R1.17 NCCCC1=CC=CC=N1 B048973 [0,1,0,0,0,0|2,0,1]=4 14 B10R1.18 CC(N)CC1=CC=CC=N1 B037029 [0,1,0,0,0,0|2,0,1]=4 15 B10R1.18 NC(=S)CC1=CC=CC=C1 B039022 [0,1,0,0,0,0|0,1,0]=2 16 B8R1.8 CCCC1=CC=CS1 B046363 [0,0,0,0,1,0|2,0,1]=4 17 B8R1.8 NCCC1=CC=CO1 B029933 [0,0,0,0,1,0|2,0,1]=4 18 B8R1.8 NCCC1=CC=CO1 B049455 [0,0,0,0,1,0|2,0,1]=4 19 B9R1.1 NCC1=CC=C(N)C=C1 B049905 [1,1,0,0,0,0|1,0,0]=3 20 B9R1.1 NCC1=CC=C(O)C=C1 B039583 [1,1,0,0,0,0|1,0,0]=3 21 B9R1.2 NC1=NC=CC(CO)=C1 B039501 [1,1,0,0,0,0|1,0,1]=4 22 B9R1.6 CC(N)C1=CC=NC=C1 B006179 [1,1,0,0,0,0|1,0,1]=4 23 B9R1.6 NC(=S)C1=CC=CN=C1 B028584 [1,1,0,0,0,0|1,1,0]=4 24 B9R1.15 CC1=C(CBr)N=CC=C1 B016007 [1,1,0,0,0,0|2,0,0]=4 25 B9R1.15 CC1=C(CBr)N=CC=C1 B062311 [1,1,0,0,0,0|2,0,0]=4 26 B9R1.15 NC1=C(C=O)C=NC=C1 B050347 [1,1,0,0,0,0|1,0,0]=3 27 B9R1.15 NC1=NC=CC=C1C=O B049085 [1,1,0,0,0,0|1,0,0]=3 28 B9R1.13 CC(=O)CN1C=CC=N1 B021105 [0,1,0,0,1,0|2,0,0]=4 29 B9R1.13 CC(=O)CN1C=CN=C1 B039452 [0,1,0,0,1,0|2,0,0]=4 30 B9R1.13 O=C(O)CN1C=CC=N1 B030032 [0,1,0,0,1,0|2,0,0]=4 31 B9R1.13 O=C(O)CN1C=CN=C1 B039463 [0,1,0,0,1,0|2,0,0]=4 32 B11R1.1 NC1=CC=C(OCCO)C=C1 B030702 [0,2,0,0,0,0|0,0,2]=4 33 B11R1.1 NC1=CC=C(OCCO)C=C1 B038630 [0,2,0,0,0,0|0,0,2]=4 34 B11R1.1 NCCCC1=CC=C(Cl)C=C1 B049887 [0,2,0,0,0,0|1,0,1]=4 35 B11R1.22 CNC(C)C1=CC=C(F)C=C1 B039530 [0,2,0,0,0,0|2,0,0]=4 36 B11R1.17 CC1=C(OCCN)C=CC=C1 B050096 [0,2,0,0,0,0|1,0,1]=4 37 B11R1.17 NC1=CC=CC=C1OCCO B030703 [0,2,0,0,0,0|0,0,2]=4 38 B11R1.17 NCCCC1=CC=CC=C1Cl B049213 [0,2,0,0,0,0|1,0,1]=4 39 B11R1.86 NC(=O)NC1=CC=CC=C1Cl B028823 [0,2,0,0,0,0|1,0,0]=3 40 B11R1.24 CC1=CC=CC(OCCN)=C1 B050095 [0,2,0,0,0,0|1,0,1]=4 41 B11R1.157 CC(=O)CC1=CC(C)=CC=N1 B037032 [0,2,0,0,0,0|1,0,0]=3 42 B11R1.7 C#CC(C)(O)C1=CC=CC=C1 B048575 [0,2,0,0,0,0|1,0,1]=4 43 B11R1.12 O=C\C(=C/O)C1=CC=NC=C1 B049610 [0,2,0,0,0,0|1,0,1]=4 44 B11R1.16 CC(N=C=O)C1=CC=CC=C1 B028614 [0,2,0,0,0,0|0,0,1]=3 45 B11R1.16 OC(C#CBr)C1=CC=CC=C1 B049488 [0,2,0,0,0,0|1,0,1]=4 46 B11R1.91 O=C(O)CCC1=NC=CC=C1 B039507 [0,2,0,0,0,0|1,0,0]=3 47 B11R1.91 O=C(O)CNC1=CC=CC=C1 B003332 [0,2,0,0,0,0|0,0,0]=2 48 B11R1.91 O=C(O)CSC1=NC=CC=C1 B003349 [0,2,0,0,0,0|1,0,0]=3 49 B11R2.36 NC1=CC2=C(C=CN2)C=C1 B050532 [0,1,0,1,0,0|1,0,1]=4 50 B11R2.10 ClC1=NC2=CC=CC=C2N1 B028974 [0,1,0,1,0,0|2,0,0]=4 51 B11R2.10 NC1=NC2=CC=CC=C2O1 B039652 [0,1,0,1,0,0|1,0,1]=4 52 B11R2.55 NC1=CC=CC=C1C2CC2 B039285 [0,1,0,1,0,0|1,0,1]=4 53 B11R2.106 NC1=CC=CC2=C1N=CN2 B049587 [0,1,0,1,0,0|2,0,0]=4 54 B11R2.1 NC1=NNC2=C1C=CC=C2 B047143 [0,1,0,1,0,0|2,0,0]=4 55 B7R1.1 C(=O)C1=CC=NN1 B039168 [1,0,0,0,1,0|2,0,0]=4 56 B7R1.1 O=CC1=CNN=C1 B015969 [1,0,0,0,1,0|2,0,0]=4 57 B7R1.1 O=CC1=CNN=C1 B039241 [1,0,0,0,1,0|2,0,0]=4 58 B7R1.1 O=CC1=NC=CS1 B046187 [1,0,0,0,1,0|2,0,0]=4