0 B9R1.13 CC(=O)NC1=CC=CS1 Y10605 [0,0,0,0,0,0|3,0,1]=4 1 B9R1.13 CC(C)CC1=NNC=C1 AC7490 [0,0,0,0,0,0|2,0,0]=2 2 B9R1.13 CN(C)C=C1C=CC=C1 C76211 [0,0,0,0,0,0|3,0,1]=4 3 B9R1.13 C[C@H](N)CC1=CC=CS1 AT16733 [0,0,0,0,0,0|2,0,0]=2 4 B9R1.13 C[C@H](N)CN1C=CC=N1 AT12541 [0,0,0,0,0,0|3,0,0]=3 5 B8R1.8 CCCC1=CC=CO1 D92136 [1,0,0,0,0,0|1,1,0]=3 6 B8R1.8 CCNC1=CC=CS1 23456 [1,0,0,0,0,0|2,0,0]=3 7 B8R1.8 CNCC1=NC=CS1 27052 [1,0,0,0,0,0|1,0,0]=2 8 B8R1.8 CNCC1=NOC=C1 33339 [1,0,0,0,0,0|3,0,0]=4 9 B8R1.8 CNCC1=NOC=N1 AT10965 [1,0,0,0,0,0|3,0,0]=4 10 B8R1.8 NCCC1=CC=CS1 F14846 [1,0,0,0,0,0|2,0,0]=3 11 B8R1.8 OCCC1=CNC=N1 37556 [1,0,0,0,0,0|3,0,0]=4 12 B10R1.23 CC(C)[C@H](N)C1=CC=CS1 N12452 [0,1,0,0,0,0|1,0,0]=2 13 B10R1.27 O=C(CCl)NC1=NC=CS1 S12412 [0,1,0,0,0,0|2,0,1]=4 14 B10R1.54 CC(C)CC1=NN=C(N)N1 AT12229 [0,1,0,0,0,0|2,0,0]=3 15 B8R1.7 C=C(C)C1=CC=CS1 AC1467 [0,0,0,0,1,0|1,0,2]=4 16 B8R1.7 CC(C)C1=NNC=N1 AT12264 [0,0,0,0,1,0|2,0,0]=3 17 B8R1.7 CC(C)N1C=NC=N1 81670 [0,0,0,0,1,0|3,0,0]=4 18 B8R1.7 C[C@H](N)C1=NN=CS1 AT18924 [0,0,0,0,1,0|2,0,0]=3 19 B8R1.7 C[C@H](O)C1=CC=CO1 F17602 [0,0,0,0,1,0|2,1,0]=4 20 B8R1.7 O=C(Cl)C1=NC=CS1 78817 [0,0,0,0,1,0|2,0,1]=4 21 B10R1.18 CC(=O)CC1=NC=CN=C1 P10609 [0,0,0,0,0,1|2,0,1]=4 22 B10R1.18 C[C@H](Br)CC1=CC=CC=C1 75436 [0,0,0,0,0,1|3,0,0]=4 23 B10R1.18 C[C@H](N)CC1=CC=CN=C1 S12145 [0,0,0,0,0,1|2,0,0]=3 24 B10R1.66 CN(C)CCN1C=CC=N1 Y10554 [0,0,0,0,0,1|3,0,0]=4 25 B7R0.2 C\C(CC(C)C)=N\O D91365 [1,0,1,0,0,0|1,0,1]=4 26 B7R1.1 CCC1=CC=CN1 D90555 [2,0,0,0,0,0|1,0,1]=4 27 B7R1.1 CSC1=CC=CS1 77890 [2,0,0,0,0,0|2,0,0]=4 28 B9R1.7 CC1=CSC(CC#N)=N1 AT15789 [1,1,0,0,0,0|1,0,1]=4 29 B9R1.7 CCCC1=NN=C(N)O1 D74004 [1,1,0,0,0,0|1,1,0]=4 30 B9R1.7 CCCC1=NN=C(O)O1 AT18810 [1,1,0,0,0,0|1,1,0]=4 31 B9R1.7 CCSC1=NN=C(N)S1 AT18881 [1,1,0,0,0,0|2,0,0]=4 32 B9R1.7 CCSC1=NN=C(S)S1 AT18944 [1,1,0,0,0,0|2,0,0]=4 33 B9R1.7 COCC1=NN=C(S)S1 AT18892 [1,1,0,0,0,0|2,0,0]=4 34 B9R1.11 CC[C@H](N)C1=CC=CS1 N12365 [1,1,0,0,0,0|1,0,0]=3 35 B9R1.33 CCCN1N=CC=C1N AT14118 [1,1,0,0,0,0|2,0,0]=4 36 B9R1.19 CC(C)(C)C1=NC=CS1 AT18862 [0,1,0,0,1,0|0,0,0]=2 37 B9R1.19 CC(C)(C)C1=NN=CO1 F15055 [0,1,0,0,1,0|1,1,0]=4 38 B9R1.19 CC(C)(O)C1=CC=CS1 AC6309 [0,1,0,0,1,0|1,0,0]=3 39 B9R1.35 CC(C)C1=NC(Br)=CS1 S11446 [0,1,0,0,1,0|0,0,0]=2 40 B9R1.35 CC(C)C1=NSC(N)=N1 AT11917 [0,1,0,0,1,0|2,0,0]=4 41 B9R1.35 CN(C)C1=NC=C(Br)S1 AT14708 [0,1,0,0,1,0|1,0,0]=3 42 B11R1.20 CC(C)OC1=CN=C(Br)C=N1 75466 [0,1,0,0,0,1|2,0,0]=4 43 B11R1.36 CC(C)C(=O)C1=CN=CC=C1 N12503 [0,1,0,0,0,1|1,0,1]=4 44 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 F16873 [0,1,0,0,0,1|2,0,0]=4 45 B11R1.36 CC(C)[C@H](N)C1=CC=NC=C1 F30606 [0,1,0,0,0,1|2,0,0]=4 46 B11R1.157 CC(C)OC1=CC=CC(Br)=N1 E72076 [0,1,0,0,0,1|2,0,0]=4 47 B11R1.509 CC(C)(C)CC1=CC=CC=C1 D92053 [0,1,0,0,0,1|2,0,0]=4 48 B9R1.8 CNCC1=NC=CN=C1 P10399 [1,0,0,0,0,1|2,0,0]=4 49 B9R1.8 CNCC1=NC=NC=C1 AT18327 [1,0,0,0,0,1|2,0,0]=4 50 B9R1.8 CNCC1=NC=NC=C1 I11999 [1,0,0,0,0,1|2,0,0]=4 51 B9R1.8 CSCC1=CN=CC=C1 E72352 [1,0,0,0,0,1|2,0,0]=4 52 B9R1.8 ClCCC1=NC=CC=C1 D83590 [1,0,0,0,0,1|2,0,0]=4 53 B11R1.91 CC(C)CCC1=CC=CC=C1 D91368 [0,0,0,0,0,2|2,0,0]=4