0 B9R1.6 CC(N)C1=CC=NC=C1 B006179 [0,0,0,0,0,0|2,0,0]=2 1 B9R1.6 NC(=S)C1=CC=CN=C1 B028584 [0,0,0,0,0,0|2,1,1]=4 2 B8R1.2 NCC1=NC=CN=C1 B050555 [1,0,0,0,0,0|3,0,0]=4 3 B10R1.13 O=C(O)C1=CC=C(O)N=C1 B049653 [0,1,0,0,0,0|2,0,1]=4 4 B10R1.15 C#CC(=O)C1=CC=CC=C1 B048976 [0,1,0,0,0,0|0,0,3]=4 5 B10R1.15 CCC(N)C1=CC=CC=C1 B006605 [0,1,0,0,0,0|1,0,0]=2 6 B10R1.15 C\C(=N/O)C1=CC=NC=C1 B006530 [0,1,0,0,0,0|1,0,1]=3 7 B10R1.15 N\C(=N/O)C1=CC=CC=C1 B020566 [0,1,0,0,0,0|1,0,1]=3 8 B10R1.15 N\C(=N/O)C1=CC=NC=C1 B030084 [0,1,0,0,0,0|2,0,1]=4 9 B10R1.15 N\C(=N/O)C1=CN=CC=C1 B030080 [0,1,0,0,0,0|2,0,1]=4 10 B10R1.15 N\C(=N/O)C1=NC=CC=C1 B030083 [0,1,0,0,0,0|2,0,1]=4 11 B10R1.61 O=C(O)C1=CC=NC=C1Br B050303 [0,1,0,0,0,0|2,0,1]=4 12 B8R1.7 CC(C)C1=NNC=C1 B037623 [0,0,0,0,1,0|3,0,0]=4 13 B8R1.7 CC(C)N1C=CC=N1 B036490 [0,0,0,0,1,0|3,0,0]=4 14 B8R1.7 CC(C)N1C=CN=C1 B039769 [0,0,0,0,1,0|3,0,0]=4 15 B8R1.7 CC(N)C1=CC=CS1 B030506 [0,0,0,0,1,0|2,0,0]=3 16 B8R1.7 CC(N)C1=CSC=N1 B059754 [0,0,0,0,1,0|3,0,0]=4 17 B8R1.7 CC(N)C1=NC=CS1 B059669 [0,0,0,0,1,0|3,0,0]=4 18 B10R1.18 CC(N)CC1=CC=CC=N1 B037029 [0,0,0,0,0,1|2,0,0]=3 19 B10R1.18 NC(=S)CC1=CC=CC=C1 B039022 [0,0,0,0,0,1|1,1,1]=4 20 B9R1.1 NCC1=CC=C(N)C=C1 B049905 [1,1,0,0,0,0|1,0,0]=3 21 B9R1.1 NCC1=CC=C(O)C=C1 B039583 [1,1,0,0,0,0|1,0,0]=3 22 B9R1.2 NC1=NC=CC(CO)=C1 B039501 [1,1,0,0,0,0|1,0,0]=3 23 B9R1.8 BrCCC1=NC=CC=C1 B050856 [1,1,0,0,0,0|1,0,0]=3 24 B9R1.8 CNCC1=CC=CC=N1 B059678 [1,1,0,0,0,0|1,0,0]=3 25 B9R1.8 CNCC1=NC=CN=C1 B050431 [1,1,0,0,0,0|2,0,0]=4 26 B9R1.8 ClCCC1=NC=CC=C1 B050813 [1,1,0,0,0,0|1,0,0]=3 27 B9R1.8 NOCC1=CC=CC=C1 B022277 [1,1,0,0,0,0|0,0,0]=2 28 B9R1.15 CC1=C(CBr)N=CC=C1 B016007 [1,1,0,0,0,0|2,0,0]=4 29 B9R1.15 CC1=C(CBr)N=CC=C1 B062311 [1,1,0,0,0,0|2,0,0]=4 30 B9R1.15 COC1=CC=CN=C1O B039509 [1,1,0,0,0,0|2,0,0]=4 31 B9R1.11 CC(CO)N1C=CC=N1 B039562 [0,1,0,0,1,0|2,0,0]=4 32 B9R1.11 C\C(=N/O)C1=CC=CO1 B006531 [0,1,0,0,1,0|1,0,1]=4 33 B9R1.35 CC(O)C1=CC=C(F)S1 B046192 [0,1,0,0,1,0|1,0,0]=3 34 B11R1.20 NC1=CC=C(OC(F)F)C=C1 B014415 [0,1,0,0,0,1|2,0,0]=4 35 B11R1.86 NC1=CC=CC=C1OC(F)F B014397 [0,1,0,0,0,1|2,0,0]=4 36 B11R1.157 C(F)(F)OC1=CC=CC(N)=C1 B046376 [0,1,0,0,0,1|2,0,0]=4 37 B11R1.3 CCC1=CC=C(C(C)N)C=C1 B006829 [0,2,0,0,0,0|1,0,0]=3 38 B11R1.3 COC1=CC=C(C(C)N)C=C1 B006177 [0,2,0,0,0,0|1,0,0]=3 39 B11R1.3 COC1=CC=C(C(C)N)C=C1 B047210 [0,2,0,0,0,0|1,0,0]=3 40 B11R1.21 CC1=C(C)C=C(C(C)N)C=C1 B046383 [0,2,0,0,0,0|1,0,0]=3 41 B11R1.22 CC1=CC=C(\C(N)=N\O)C=C1 B022751 [0,2,0,0,0,0|1,0,1]=4 42 B11R1.22 CNC(C)C1=CC=C(F)C=C1 B039530 [0,2,0,0,0,0|1,0,0]=3 43 B11R1.22 N\C(=N/O)C1=CC=C(Cl)C=C1 B022963 [0,2,0,0,0,0|1,0,1]=4 44 B11R1.22 N\C(=N\O)C1=CC=C(F)C=C1 B030589 [0,2,0,0,0,0|1,0,1]=4 45 B11R1.166 CC1=CC(C)=C(C(C)N)C=C1 B006832 [0,2,0,0,0,0|1,0,0]=3 46 B11R1.166 CN(C)C1=CC=C(Br)C=C1N B039646 [0,2,0,0,0,0|2,0,0]=4 47 B11R1.7 C#CC(C)(O)C1=CC=CC=C1 B048575 [0,2,0,0,0,0|0,0,0]=2 48 B11R1.7 C#CC(C)(O)C1=CC=CN=C1 B049463 [0,2,0,0,0,0|1,0,0]=3 49 B11R1.7 C#CC(C)(O)C1=CC=NC=C1 B050399 [0,2,0,0,0,0|1,0,0]=3 50 B11R1.7 C#CC(C)(O)C1=NC=CC=C1 B050395 [0,2,0,0,0,0|1,0,0]=3 51 B11R1.16 CC(N=C=O)C1=CC=CC=C1 B028614 [0,2,0,0,0,0|0,0,1]=3 52 B11R1.16 OC(C#CBr)C1=CC=CC=C1 B049488 [0,2,0,0,0,0|0,0,1]=3 53 B11R1.222 N\C(=N/O)C1=CC=CC=C1F B034860 [0,2,0,0,0,0|1,0,1]=4 54 B11R1.53 NCC1=CC=CC=C1C(=O)O B049870 [0,2,0,0,0,0|1,0,1]=4 55 B11R1.53 O=C(O)C1=C(CBr)C=CC=C1 B019566 [0,2,0,0,0,0|1,0,1]=4 56 B11R1.156 NC1=C(C(=O)O)C(Cl)=CC=C1 B048630 [0,2,0,0,0,0|1,0,1]=4 57 B11R1.159 NC1=C(O)C(C(=O)O)=CC=C1 B048728 [0,2,0,0,0,0|1,0,1]=4 58 B11R1.159 NC1=CC=CC(C(=O)O)=C1N B050432 [0,2,0,0,0,0|1,0,1]=4 59 B11R1.266 COC1=CC(C(C)N)=CC=C1 B006176 [0,2,0,0,0,0|1,0,0]=3 60 B11R1.266 O=C(O)C1=CC(CBr)=CC=C1 B019567 [0,2,0,0,0,0|1,0,1]=4 61 B11R2.10 NC1=NC2=CC=CC=C2O1 B039652 [0,0,0,1,0,1|1,0,1]=4 62 B11R2.55 NC1=CC=CC=C1C2CC2 B039285 [0,1,0,1,0,0|1,0,0]=3 63 B7R1.1 CCN1C=CC=N1 B006762 [1,0,0,0,1,0|2,0,0]=4 64 B7R1.1 CCN1C=CN=C1 B039755 [1,0,0,0,1,0|2,0,0]=4 65 B7R1.1 OCC1=CNN=C1 B047363 [1,0,0,0,1,0|2,0,0]=4 66 B7R1.1 OCC1=NNC=C1 B047364 [1,0,0,0,1,0|2,0,0]=4 67 B11R1.91 O=C(O)CNC1=CC=CC=C1 B003332 [0,0,0,0,0,2|1,0,1]=4