0 B11R1.86 CC(=O)CC1=C(C)C=CC=C1 N12425 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.86 CN(C)CC1=C(F)C=CC=C1 L10043 [0,0,0,0,0,0|4,0,0]=4 2 B11R1.86 CN(C)CC1=C(N)C=CC=C1 F18327 [0,0,0,0,0,0|4,0,0]=4 3 B11R1.86 CN(C)CC1=C([Pd+2])C=CC=C1 D90232 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.4 CCCC1=C(O)C=CC=C1 D86075 [1,0,0,0,0,0|3,0,0]=4 5 B10R1.4 CCCC1=NC=CN=C1C D91392 [1,0,0,0,0,0|0,0,0]=1 6 B10R1.4 CCOC1=NC=CN=C1Br D83226 [1,0,0,0,0,0|2,0,0]=3 7 B10R1.18 CC(=O)CC1=NC=CN=C1 P10609 [1,0,0,0,0,0|1,0,1]=3 8 B10R1.18 C[C@H](Br)CC1=CC=CC=C1 75436 [1,0,0,0,0,0|3,0,0]=4 9 B10R1.18 C[C@H](N)CC1=CC=CN=C1 S12145 [1,0,0,0,0,0|2,0,0]=3 10 B12R1.75 CC(C)OC1=C(CN)C=CC=C1 C13549 [0,1,0,0,0,0|3,0,0]=4 11 B12R1.75 COC1=C(C[C@H](C)N)C=CC=C1 70935 [0,1,0,0,0,0|3,0,0]=4 12 B12R1.75 COC1=NC=CC=C1NC(C)C L10183 [0,1,0,0,0,0|2,0,0]=3 13 B12R1.151 CC(C)(N)CC1=C(Br)C=CC=C1 E72146 [0,1,0,0,0,0|3,0,0]=4 14 B12R1.233 CC1=CC(N)=CN=C1OC(C)C O11600 [0,1,0,0,0,0|2,0,0]=3 15 B10R1.61 CC1=C(N(C)C)C=CC=C1 D89722 [0,0,0,0,1,0|3,0,0]=4 16 B10R1.61 CC1=CC=CN=C1[C@H](C)N F16866 [0,0,0,0,1,0|2,0,0]=3 17 B12R1.125 CC1=C(OC[C@H](C)O)C=CC=C1 D91438 [0,0,0,0,0,1|3,0,0]=4 18 B9R1.8 CNCC1=NC=CN=C1 P10399 [2,0,0,0,0,0|1,0,0]=3 19 B9R1.8 CSCC1=CN=CC=C1 E72352 [2,0,0,0,0,0|2,0,0]=4 20 B9R1.8 ClCCC1=NC=CC=C1 D83590 [2,0,0,0,0,0|2,0,0]=4 21 B9R1.15 COC1=NC=CN=C1I H10462 [2,0,0,0,0,0|2,0,0]=4 22 B11R1.17 CCCCC1=NC=CN=C1C C14959 [1,1,0,0,0,0|0,0,0]=2 23 B11R1.41 CCOC1=C(NC)N=CC=C1 76843 [1,1,0,0,0,0|2,0,0]=4 24 B11R1.41 CCOC1=NC=CN=C1CC D90573 [1,1,0,0,0,0|1,0,0]=3 25 B11R1.222 CC[C@H](N)C1=NC=CC=C1C F17004 [1,1,0,0,0,0|1,0,0]=3 26 B11R1.20 CC(C)OC1=CN=C(Br)C=N1 75466 [1,1,0,0,0,0|1,0,0]=3 27 B11R1.36 CC(C)C(=O)C1=CN=CC=C1 N12503 [1,1,0,0,0,0|1,0,1]=4 28 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 F16873 [1,1,0,0,0,0|2,0,0]=4 29 B11R1.157 CC(C)OC1=CC=CC(Br)=N1 E72076 [1,1,0,0,0,0|2,0,0]=4 30 B11R1.509 CC(C)(C)CC1=CC=CC=C1 D92053 [1,1,0,0,0,0|2,0,0]=4 31 B11R1.87 CC1=C(C(C)(C)C)C=CC=C1 34676 [0,1,0,0,1,0|2,0,0]=4 32 B11R1.167 CN(C)C1=C(N)N=CC(Br)=N1 23954 [0,1,0,0,1,0|2,0,0]=4 33 B13R1.622 CC(C)(C)OC1=NC=CC=C1CN AC6920 [0,2,0,0,0,0|2,0,0]=4 34 B11R1.561 CC1=CC=CC(C)(C)CC1=O D92536 [0,0,1,1,0,0|2,0,0]=4 35 B11R2.1 N[C@H]1CCC2=CC=CN=C21 87181 [0,0,0,1,1,0|2,0,0]=4 36 B9R1.33 CC1=C(CCN)SC=N1 Y11107 [1,0,0,0,1,0|2,0,0]=4 37 B9R1.33 CCCN1N=CC=C1N AT14118 [1,0,0,0,1,0|2,0,0]=4 38 B9R1.6 CN(C)C1=CC=CN=C1 N12098 [1,0,0,0,1,0|2,0,0]=4 39 B9R1.6 C[C@H](N)C1=NC=CC=C1 90515 [1,0,0,0,1,0|2,0,0]=4 40 B9R1.13 CC(C)CC1=NNC=C1 AC7490 [1,0,0,0,1,0|1,0,0]=3 41 B9R1.13 C[C@H](N)CC1=CC=CS1 AT16733 [1,0,0,0,1,0|2,0,0]=4 42 B9R1.13 C[C@H](N)CN1C=CC=N1 AT12541 [1,0,0,0,1,0|2,0,0]=4