0 B9R1.13 CC(=O)NC1=CC=CS1 093044 [0,0,0,0,0,0|3,0,1]=4 1 B9R1.13 CC(=O)NC1=NC=CS1 013388 [0,0,0,0,0,0|2,0,1]=3 2 B9R1.13 CC(C)CC1=NC=CS1 009620 [0,0,0,0,0,0|0,0,0]=0 3 B9R1.13 O=C(Cl)CC1=CC=CS1 003050 [0,0,0,0,0,0|3,0,1]=4 4 B9R1.13 O=C(O)CC1=CC=CS1 044684 [0,0,0,0,0,0|3,0,1]=4 5 B8R1.8 CCCC1=CC=CS1 003676 [1,0,0,0,0,0|1,0,0]=2 6 B8R1.8 CCOC1=NC=CS1 002763 [1,0,0,0,0,0|1,0,0]=2 7 B8R1.8 CNCC1=CC=CO1 226183 [1,0,0,0,0,0|2,1,0]=4 8 B8R1.8 CNCC1=CC=CS1 065484 [1,0,0,0,0,0|2,0,0]=3 9 B8R1.8 N#CCC1=CC=CS1 003048 [1,0,0,0,0,0|2,0,1]=4 10 B8R1.8 NCCC1=CC=CS1 021380 [1,0,0,0,0,0|2,0,0]=3 11 B8R1.8 NCCC1=CNC=N1 068673 [1,0,0,0,0,0|3,0,0]=4 12 B8R1.8 NCCC1=CNC=N1 078943 [1,0,0,0,0,0|3,0,0]=4 13 B8R1.8 OCCC1=CC=CS1 208753 [1,0,0,0,0,0|2,0,0]=3 14 B8R1.8 OCCN1C=CC=N1 036257 [1,0,0,0,0,0|3,0,0]=4 15 B10R1.27 COC(=O)CC1=CC=CS1 011193 [0,1,0,0,0,0|2,0,1]=4 16 B10R1.54 CC(=O)NC1=NC(C)=CS1 209198 [0,1,0,0,0,0|2,0,1]=4 17 B10R1.54 CC1=CC(CC(C)N)=NN1 032190 [0,1,0,0,0,0|3,0,0]=4 18 B8R1.7 CC(=O)C1=CC=CS1 005042 [0,0,0,0,1,0|2,0,1]=4 19 B8R1.7 CC(=O)C1=NC=CS1 002759 [0,0,0,0,1,0|1,0,1]=3 20 B8R1.7 CC(C)C1=NC=CN1 235680 [0,0,0,0,1,0|1,0,0]=2 21 B8R1.7 CC(N)C1=CC=CS1 044441 [0,0,0,0,1,0|2,0,0]=3 22 B8R1.7 O=C(O)C1=NC=CS1 046193 [0,0,0,0,1,0|2,0,1]=4 23 B10R1.18 CC(Br)CC1=CC=CC=C1 243231 [0,0,0,0,0,1|3,0,0]=4 24 B10R1.18 CC(C)CC1=CC=NC=C1 032546 [0,0,0,0,0,1|2,0,0]=3 25 B10R1.18 CC(C)NC1=CC=CC=C1 079480 [0,0,0,0,0,1|3,0,0]=4 26 B10R1.18 CC(C)OC1=CC=CC=C1 038454 [0,0,0,0,0,1|3,0,0]=4 27 B10R1.18 CC(O)CC1=CC=CC=C1 339985 [0,0,0,0,0,1|3,0,0]=4 28 B10R1.18 CN(C)CC1=CC=CC=C1 102405 [0,0,0,0,0,1|3,0,0]=4 29 B10R1.18 C[C@@H](O)CC1=CC=CC=C1 036085 [0,0,0,0,0,1|3,0,0]=4 30 B10R1.18 C[C@H](O)CC1=CC=CC=C1 036086 [0,0,0,0,0,1|3,0,0]=4 31 B7R0.2 C=CC(=O)NC(C)C 046835 [1,0,1,0,0,0|1,1,0]=4 32 B7R0.7 C=COC(=O)CCC 005032 [1,0,1,0,0,0|1,1,0]=4 33 B7R1.1 CCC1=CC=CN1 002567 [2,0,0,0,0,0|1,0,1]=4 34 B7R1.1 CCC1=CC=CS1 001177 [2,0,0,0,0,0|1,0,0]=3 35 B7R1.1 CCC1=NC=CN1 018684 [2,0,0,0,0,0|1,0,0]=3 36 B7R1.1 CCN1C=CC=N1 068645 [2,0,0,0,0,0|2,0,0]=4 37 B7R1.1 COC1=NC=CS1 009621 [2,0,0,0,0,0|1,0,0]=3 38 B7R1.1 CSC1=NC=CS1 009622 [2,0,0,0,0,0|1,0,0]=3 39 B7R1.1 ClCC1=NC=CN1 023425 [2,0,0,0,0,0|2,0,0]=4 40 B7R1.1 NCC1=CC=CS1 092186 [2,0,0,0,0,0|2,0,0]=4 41 B7R1.1 NCC1=NC=CS1 013114 [2,0,0,0,0,0|1,0,0]=3 42 B7R1.1 O=CC1=NC=CS1 046294 [2,0,0,0,0,0|1,0,1]=4 43 B7R1.1 OCC1=CC=CS1 208652 [2,0,0,0,0,0|2,0,0]=4 44 B7R1.1 OCC1=NC=CS1 067720 [2,0,0,0,0,0|1,0,0]=3 45 B7R1.1 SCC1=CC=CS1 104865 [2,0,0,0,0,0|2,0,0]=4 46 B9R1.7 COCC1=NN=C(S)S1 019313 [1,1,0,0,0,0|2,0,0]=4 47 B9R1.11 CCC(=O)C1=CC=CS1 001219 [1,1,0,0,0,0|1,0,1]=4 48 B9R1.11 NCC(O)C1=CC=CS1 019507 [1,1,0,0,0,0|2,0,0]=4 49 B9R1.35 CC(C)C1=NN=C(S)S1 019321 [0,1,0,0,1,0|1,0,0]=3 50 B9R1.35 CC(C)C1=NNC(N)=C1 021514 [0,1,0,0,1,0|2,0,0]=4 51 B9R1.35 CC(C)C1=NSC(N)=N1 009664 [0,1,0,0,1,0|2,0,0]=4 52 B9R1.35 CC1=CSC(C(C)C)=N1 009624 [0,1,0,0,1,0|0,0,0]=2 53 B11R1.36 CC(C)C(C)C1=CC=NC=C1 032640 [0,1,0,0,0,1|2,0,0]=4 54 B11R1.36 CC(C)C(O)C1=CC=CC=C1 242324 [0,1,0,0,0,1|2,0,0]=4 55 B11R1.509 CC(C)(C)CC1=CC=CC=C1 242566 [0,1,0,0,0,1|2,0,0]=4 56 B11R1.509 CC(C)(C)OC1=CC=CC=N1 462501 [0,1,0,0,0,1|2,0,0]=4 57 B11R1.509 CC(C)(O)CC1=CC=CC=C1 461052 [0,1,0,0,0,1|2,0,0]=4 58 B9R1.6 CC(C)C1=NC=CC=C1 078691 [0,0,1,1,0,0|1,0,1]=4 59 B9R1.8 CCCC1=CC=CC=C1 095067 [1,0,0,0,0,1|2,0,0]=4 60 B9R1.8 CCCC1=CC=NC=C1 235894 [1,0,0,0,0,1|2,0,0]=4 61 B9R1.8 CCCC1=NC=CC=C1 242850 [1,0,0,0,0,1|1,0,0]=3 62 B9R1.8 CCCC1=NC=CN=C1 002735 [1,0,0,0,0,1|1,0,0]=3 63 B9R1.8 CCOC1=NC=CC=C1 049694 [1,0,0,0,0,1|2,0,0]=4 64 B9R1.8 CCSC1=NC=CC=C1 095363 [1,0,0,0,0,1|2,0,0]=4 65 B9R1.8 ClCCC1=CC=CC=N1 070463 [1,0,0,0,0,1|2,0,0]=4 66 B9R1.8 NCCC1=CC=CN=C1 010689 [1,0,0,0,0,1|2,0,0]=4 67 B9R1.8 NCCC1=CC=CN=C1 033239 [1,0,0,0,0,1|2,0,0]=4 68 B9R1.8 NCCC1=CC=CN=C1 065473 [1,0,0,0,0,1|2,0,0]=4 69 B9R1.8 NCCC1=NC=CC=C1 013702 [1,0,0,0,0,1|2,0,0]=4 70 B9R1.8 OCCC1=CC=CN=C1 017523 [1,0,0,0,0,1|2,0,0]=4 71 B9R1.8 OCCC1=NC=CC=C1 223718 [1,0,0,0,0,1|2,0,0]=4 72 B11R1.91 CC(C)NCC1=CC=CC=C1 366623 [0,0,0,0,0,2|2,0,0]=4 73 B11R1.91 CC(C)OCC1=CC=CC=C1 095354 [0,0,0,0,0,2|2,0,0]=4 74 B11R1.91 CN(C)CCC1=NC=CC=C1 098956 [0,0,0,0,0,2|2,0,0]=4