0 B10R1.1 COCC1=NC=C(O)C=N1 P15188 [0,0,0,0,0,0|4,0,0]=4 1 B10R1.1 OC1=CC=C(CCF)C=C1 W16630 [0,0,0,0,0,0|1,0,0]=1 2 B9R1.8 CSCC1=NC=CC=C1 W19655 [1,0,0,0,0,0|3,0,0]=4 3 B9R1.8 NNCC1=CC=NC=C1 78931 [1,0,0,0,0,0|2,0,0]=3 4 B9R1.8 [C-]#[N+]CC1=NC=CC=C1 78723 [1,0,0,0,0,0|3,0,0]=4 5 B11R1.1 O=C\C=C\C1=CC=C(O)C=C1 O10873 [0,1,0,0,0,0|1,0,2]=4 6 B11R1.20 C[C@H](N)CC1=CC=C(Br)C=C1 Y14339 [0,1,0,0,0,0|1,0,0]=2 7 B11R1.22 CN[C@@H](C)C1=CC=C(Br)C=C1 Y13906 [0,1,0,0,0,0|3,0,0]=4 8 B11R1.22 CN[C@@H](C)C1=CC=C(C)C=C1 Y13931 [0,1,0,0,0,0|3,0,0]=4 9 B11R1.22 CN[C@@H](C)C1=CC=C(F)C=C1 Y13728 [0,1,0,0,0,0|3,0,0]=4 10 B11R1.22 N[C@@H](CO)C1=CN=C(Br)C=C1 D85262 [0,1,0,0,0,0|3,0,0]=4 11 B11R1.83 COC1=NC=C(CC#N)C=C1 81757 [0,1,0,0,0,0|1,0,2]=4 12 B11R1.192 C=CCC1=CC(O)=C(O)C=C1 A11902 [0,1,0,0,0,0|1,0,1]=3 13 B11R1.192 CCOC1=CC(Cl)=C(N)C=C1 Y14111 [0,1,0,0,0,0|3,0,0]=4 14 B11R1.192 OCCC1=CC(Br)=C(Cl)N=C1 P15946 [0,1,0,0,0,0|3,0,0]=4 15 B11R2.36 BrC1=CN=C2CCNC2=C1 P19003 [0,0,0,1,0,0|2,0,0]=3 16 B11R2.36 NC1=CC=C2CCOC2=N1 AT22072 [0,0,0,1,0,0|3,0,0]=4 17 B11R2.36 OC1=CC2=C(C=C1)COC2 D78662 [0,0,0,1,0,0|2,0,0]=3 18 B11R2.36 OC1=CC2=C(C=C1)NN=N2 A12615 [0,0,0,1,0,0|2,0,1]=4 19 B10R1.13 CC(C)C1=NC=C(N)C=C1 Y14829 [1,1,0,0,0,0|2,0,0]=4 20 B10R1.13 CC1=NC=C([C@H](C)N)C=C1 D96455 [1,1,0,0,0,0|2,0,0]=4 21 B10R1.13 C[C@H](N)C1=CN=C(Br)C=C1 Y14749 [1,1,0,0,0,0|2,0,0]=4 22 B10R1.13 C[C@H](N)C1=CN=C(Cl)C=C1 D96437 [1,1,0,0,0,0|2,0,0]=4 23 B10R1.13 C[C@H](N)C1=CN=C(Cl)C=C1 Y12111 [1,1,0,0,0,0|2,0,0]=4 24 B10R1.13 C[C@H](N)C1=NC=C(Cl)C=C1 96125 [1,1,0,0,0,0|2,0,0]=4 25 B10R1.13 C[C@H](N)C1=NC=C(Cl)C=C1 Y12227 [1,1,0,0,0,0|2,0,0]=4 26 B10R1.13 C[C@H](N)C1=NC=C(Cl)C=C1 Y14559 [1,1,0,0,0,0|2,0,0]=4 27 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 Y10226 [1,1,0,0,0,0|2,0,0]=4 28 B10R1.13 OC1=CN=C(C(F)F)C=C1 O11507 [1,1,0,0,0,0|2,0,0]=4 29 B10R1.25 CC1=CC(Cl)=C(CN)C=C1 Y13953 [1,1,0,0,0,0|1,0,0]=3 30 B10R1.25 NCC1=C(Cl)C=C(F)C=N1 BL010216 [1,1,0,0,0,0|2,0,0]=4 31 B10R1.176 CC1=C(C)N=C(CN)C=C1 D85900 [1,1,0,0,0,0|2,0,0]=4 32 B10R1.176 COC1=CC=C(O)C(Br)=N1 F53711 [1,1,0,0,0,0|2,0,0]=4 33 B10R1.176 NCC1=CC(Br)=C(O)C=C1 W19427 [1,1,0,0,0,0|0,0,0]=2 34 B10R1.176 NCC1=CN=C(Cl)C(Cl)=C1 D79849 [1,1,0,0,0,0|2,0,0]=4 35 B10R1.10 CC1=NC=CC(CCN)=C1 78539 [1,1,0,0,0,0|1,0,0]=3 36 B10R1.10 NCCC1=CC(F)=CN=C1 P21102 [1,1,0,0,0,0|1,0,0]=3 37 B10R1.10 OCCC1=CC(F)=CN=C1 P21101 [1,1,0,0,0,0|2,0,0]=4 38 B10R1.15 C=C[C@H](N)C1=CC=CC=C1 Y10835 [1,1,0,0,0,0|1,0,1]=4 39 B10R1.15 N[C@@H](CF)C1=CC=CC=C1 72624 [1,1,0,0,0,0|1,0,0]=3 40 B10R1.17 NNCCC1=CC=CC=C1 74134 [1,1,0,0,0,0|0,0,0]=2 41 B12R1.16 COC[C@H](N)C1=CC=C(F)C=C1 Y14599 [0,2,0,0,0,0|2,0,0]=4 42 B12R1.16 N#CC[C@H](N)C1=CC=C(Br)C=C1 Y13926 [0,2,0,0,0,0|1,0,1]=4 43 B12R1.16 N#CC[C@H](N)C1=CC=C(Br)C=C1 Y13927 [0,2,0,0,0,0|1,0,1]=4 44 B12R1.16 N#CC[C@H](N)C1=CC=C(Cl)C=C1 Y13676 [0,2,0,0,0,0|1,0,1]=4 45 B12R1.16 N#CC[C@H](N)C1=CC=C(Cl)C=C1 Y13677 [0,2,0,0,0,0|1,0,1]=4 46 B12R1.16 N#CC[C@H](N)C1=CC=C(F)C=C1 Y13920 [0,2,0,0,0,0|1,0,1]=4 47 B12R1.16 N#CC[C@H](N)C1=CC=C(F)C=C1 Y13921 [0,2,0,0,0,0|1,0,1]=4 48 B12R1.49 N[C@H](CO)CC1=CC=C(Cl)C=C1 Y14423 [0,2,0,0,0,0|1,0,0]=3 49 B12R1.71 COC1=CC=C(CCCCl)C=C1 D75832 [0,2,0,0,0,0|1,0,0]=3 50 B12R1.4 COC1=CC=C(C[C@H](C)N)C=C1 F13086 [0,2,0,0,0,0|0,0,0]=2 51 B12R1.5 CC[C@H](N)C1=CN=C(OC)C=C1 D96415 [0,2,0,0,0,0|2,0,0]=4 52 B12R1.12 CCC(CC)C1=CC=C(N)C=C1 79032 [0,2,0,0,0,0|2,0,0]=4 53 B12R1.367 N[C@@H](CO)C1=CC(Br)=C(Cl)C=C1 Y11570 [0,2,0,0,0,0|2,0,0]=4 54 B12R1.367 N[C@@H](CO)C1=CC(F)=C(F)C=C1 Y14617 [0,2,0,0,0,0|2,0,0]=4 55 B12R1.367 O[C@@H](CCl)C1=CC(F)=C(F)C=C1 I11943 [0,2,0,0,0,0|2,0,0]=4 56 B12R1.1703 N[C@@H](CO)C1=C(F)C=C(F)C=C1 Y11550 [0,2,0,0,0,0|2,0,0]=4 57 B12R1.1703 N[C@@H](CO)C1=C(O)C=C(F)C=C1 Y11177 [0,2,0,0,0,0|2,0,0]=4 58 B12R1.113 CCCC1=NC=C(C(=O)O)C=C1 AC9553 [0,2,0,0,0,0|2,0,0]=4 59 B10R1.2 NCC1=CC=CC(O)=C1O D96331 [0,0,1,1,0,0|1,0,1]=4 60 B10R1.30 NCC1=C(O)C=CC(O)=C1 Y13730 [0,0,1,1,0,0|1,0,1]=4 61 B10R2.6 C1=CC=C([C@@H]2CN2)C=C1 86778 [1,0,0,1,0,0|0,0,0]=2 62 B12R2.24 ClC1=CC2=C(C=C1)CCOC2 Y14506 [0,1,0,1,0,0|2,0,0]=4 63 B12R2.24 OC1=NC=C2CNCCC2=C1 66263 [0,1,0,1,0,0|2,0,0]=4 64 B12R2.79 N[C@H]1C[C@@H]1C2=CC=C(O)C=C2 P16060 [0,1,0,1,0,0|0,0,0]=2 65 B12R2.132 N[C@H]1COC2=C1C=C(Br)C=C2 Y13240 [0,1,0,1,0,0|1,0,0]=3 66 B12R2.132 N[C@H]1COC2=C1C=C(Br)C=C2 Y13296 [0,1,0,1,0,0|1,0,0]=3 67 B12R2.132 N[C@H]1COC2=C1C=C(F)C=C2 Y10762 [0,1,0,1,0,0|1,0,0]=3 68 B12R2.132 N[C@H]1COC2=C1C=C(F)C=C2 Y14815 [0,1,0,1,0,0|1,0,0]=3 69 B12R2.2302 BrC1=CC=C(C2CNC2)C=C1 P10199 [0,1,0,1,0,0|1,0,0]=3 70 B12R2.2302 BrC1=CC=C(C2COC2)C=C1 88184 [0,1,0,1,0,0|2,0,0]=4 71 B12R2.2302 BrC1=CC=C([C@@H]2CCO2)C=C1 AT23935 [0,1,0,1,0,0|2,0,0]=4 72 B12R2.2302 ClC1=CC=C(C2CNC2)C=C1 57896 [0,1,0,1,0,0|1,0,0]=3 73 B12R2.2302 ClC1=CC=C(C2CNC2)C=C1 AT15505 [0,1,0,1,0,0|1,0,0]=3 74 B12R2.290 NC1(C2=CC=C(O)C=C2)CC1 SC4307 [0,1,0,1,0,0|1,0,0]=3 75 B12R2.290 NC1=CC=C(C2(N)CC2)C=C1 AT19618 [0,1,0,1,0,0|2,0,0]=4 76 B12R2.612 CC1=CC2=C(C=C1)[C@@H](N)CO2 Y11203 [0,1,0,1,0,0|2,0,0]=4 77 B12R2.612 CC1=CNC2=C1C=CC(O)=C2 P11527 [0,1,0,1,0,0|0,0,2]=4 78 B12R2.612 N[C@H]1CCC2=C1C=CC(Br)=C2 67302 [0,1,0,1,0,0|2,0,0]=4 79 B12R2.612 N[C@H]1CCC2=C1C=CC(F)=C2 Y10271 [0,1,0,1,0,0|2,0,0]=4 80 B12R2.612 N[C@H]1COC2=C1C=CC(Br)=C2 N11241 [0,1,0,1,0,0|2,0,0]=4 81 B12R2.612 N[C@H]1COC2=C1C=CC(Cl)=C2 N11265 [0,1,0,1,0,0|2,0,0]=4 82 B12R2.612 N[C@H]1COC2=C1C=CC(Cl)=C2 Y13417 [0,1,0,1,0,0|2,0,0]=4 83 B12R2.612 N[C@H]1COC2=C1C=CC(F)=C2 Y14817 [0,1,0,1,0,0|2,0,0]=4 84 B12R2.612 OC1=CC2=C(C=C1)[C@@H](O)CC2 Y14104 [0,1,0,1,0,0|1,0,0]=3 85 B12R2.246 OC1=CC(Cl)=C2C=NNC2=C1 C76974 [0,1,0,1,0,0|1,0,1]=4 86 B12R2.44 C#CC1=CC2=C(C=C1)CCC2 C12642 [0,1,0,1,0,0|2,0,0]=4 87 B12R2.44 O=CC1=CC2=C(C=C1)CCO2 94696 [0,1,0,1,0,0|1,0,1]=4 88 B8R1.1 NCC1=CC=C(F)S1 38845 [1,0,0,0,1,0|2,0,0]=4 89 B8R1.8 NCCC1=CN=CS1 S10751 [1,0,0,0,1,0|2,0,0]=4