0 B11R1.83 COC1=NC=C(CC#N)C=C1 81757 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.1 COCC1=NC=C(O)C=N1 P15188 [1,0,0,0,0,0|3,0,0]=4 2 B10R1.1 OC1=CC=C(CCF)C=C1 W16630 [1,0,0,0,0,0|1,0,0]=2 3 B12R1.4 COC1=CC=C(C[C@H](C)N)C=C1 F13086 [0,1,0,0,0,0|0,0,0]=1 4 B12R1.5 CCC(=O)C1=CN=C(OC)C=C1 W11395 [0,1,0,0,0,0|1,0,1]=3 5 B12R1.5 CC[C@H](N)C1=CN=C(OC)C=C1 D96415 [0,1,0,0,0,0|1,0,0]=2 6 B12R1.71 COC1=CC=C(CCCCl)C=C1 D75832 [0,1,0,0,0,0|0,0,0]=1 7 B12R1.113 CCCC1=NC=C(C(=O)O)C=C1 AC9553 [0,1,0,0,0,0|3,0,0]=4 8 B12R2.44 C#CC1=CC2=C(C=C1)CCC2 C12642 [0,0,0,1,0,0|1,0,1]=3 9 B12R2.44 O=CC1=CC2=C(C=C1)CCO2 94696 [0,0,0,1,0,0|3,0,0]=4 10 B12R2.44 O=CC1=CC2=C(C=C1)NCC2 F16225 [0,0,0,1,0,0|3,0,0]=4 11 B9R1.8 CSCC1=NC=CC=C1 W19655 [2,0,0,0,0,0|2,0,0]=4 12 B11R1.20 C[C@H](N)CC1=CC=C(Br)C=C1 Y14339 [1,1,0,0,0,0|1,0,0]=3 13 B11R1.22 CN[C@@H](C)C1=CC=C(Br)C=C1 Y13906 [1,1,0,0,0,0|2,0,0]=4 14 B11R1.22 CN[C@@H](C)C1=CC=C(C)C=C1 Y13931 [1,1,0,0,0,0|1,0,0]=3 15 B11R1.22 CN[C@@H](C)C1=CC=C(F)C=C1 Y13728 [1,1,0,0,0,0|2,0,0]=4 16 B11R1.192 C=CCC1=CC(O)=C(O)C=C1 A11902 [1,1,0,0,0,0|0,0,2]=4 17 B11R1.192 CCOC1=CC(Cl)=C(N)C=C1 Y14111 [1,1,0,0,0,0|2,0,0]=4 18 B11R1.3 CC(=O)C1=CC=C(CN)C=C1 C76094 [1,1,0,0,0,0|2,0,0]=4 19 B11R1.3 COC1=NC=C([C@H](C)N)C=C1 90832 [1,1,0,0,0,0|1,0,0]=3 20 B11R1.3 C[C@H](N)C1=CC=C(C#N)C=C1 I11173 [1,1,0,0,0,0|2,0,0]=4 21 B11R1.279 COC1=C(Cl)C=C(CCl)N=C1 79209 [1,1,0,0,0,0|2,0,0]=4 22 B11R1.279 COC1=NC(C)=C(CN)C=C1 Y14150 [1,1,0,0,0,0|2,0,0]=4 23 B13R1.585 CC(C)CC1=CC=C([C@H](C)N)C=C1 D85217 [0,2,0,0,0,0|1,0,0]=3 24 B13R1.585 CC(C)OC1=CC=C([C@H](C)N)C=C1 D96432 [0,2,0,0,0,0|2,0,0]=4 25 B13R1.95 CC[C@H](N)C1=C(O)C=C(OC)C=C1 Y13687 [0,2,0,0,0,0|0,0,0]=2 26 B13R1.95 CC[C@H](N)C1=C(O)C=C(OC)C=C1 Y13688 [0,2,0,0,0,0|0,0,0]=2 27 B13R1.95 CC[C@H](N)C1=C(O)C=C(OC)C=C1 Y14528 [0,2,0,0,0,0|0,0,0]=2 28 B13R1.95 COC1=CC(Cl)=C([C@@H](N)CO)C=C1 Y12299 [0,2,0,0,0,0|1,0,0]=3 29 B13R1.95 COC1=CC(Cl)=C([C@@H](N)CO)C=C1 Y12300 [0,2,0,0,0,0|1,0,0]=3 30 B13R1.139 CCOC1=CC=C([C@H](C)NC)C=C1 Y13618 [0,2,0,0,0,0|1,0,0]=3 31 B13R1.139 CCOC1=CC=C([C@H](C)NC)C=C1 Y14156 [0,2,0,0,0,0|1,0,0]=3 32 B13R1.139 CCSC1=CC=C([C@@H](N)CO)C=C1 Y11192 [0,2,0,0,0,0|1,1,0]=4 33 B13R1.139 CCSC1=CC=C([C@@H](N)CO)C=C1 Y14097 [0,2,0,0,0,0|1,1,0]=4 34 B13R1.139 CCSC1=CC=C([C@@H](N)CO)C=C1 Y14530 [0,2,0,0,0,0|1,1,0]=4 35 B13R1.187 CCC(C)(C)C1=CC=C(C=O)C=C1 22884 [0,2,0,0,0,0|2,0,0]=4 36 B13R1.187 COC1=CC=C([C@@](C)(N)CO)C=C1 Y14029 [0,2,0,0,0,0|1,0,0]=3 37 B13R1.452 COC[C@H](N)C1=CC=C(C#N)C=C1 Y10877 [0,2,0,0,0,0|2,0,0]=4 38 B13R1.537 CC[C@H](N)C1=CC=C(C(F)F)C=C1 Y13876 [0,2,0,0,0,0|2,0,0]=4 39 B13R1.537 CC[C@H](N)C1=CC=C(C(F)F)C=C1 Y14274 [0,2,0,0,0,0|2,0,0]=4 40 B13R1.3088 C=C[C@H](N)C1=CC(O)=C(OC)C=C1 Y13829 [0,2,0,0,0,0|0,0,2]=4 41 B13R1.3088 C=C[C@H](N)C1=CC(O)=C(OC)C=C1 Y13830 [0,2,0,0,0,0|0,0,2]=4 42 B13R1.3088 C=C[C@H](N)C1=CC(O)=C(OC)C=C1 Y14323 [0,2,0,0,0,0|0,0,2]=4 43 B13R1.3088 CC[C@H](N)C1=CC(O)=C(OC)C=C1 Y13751 [0,2,0,0,0,0|0,0,0]=2 44 B13R1.3088 CC[C@H](N)C1=CC(O)=C(OC)C=C1 Y13801 [0,2,0,0,0,0|0,0,0]=2 45 B13R1.3088 CC[C@H](N)C1=CC(O)=C(OC)C=C1 Y14319 [0,2,0,0,0,0|0,0,0]=2 46 B13R1.3088 COC1=C(O)C=C([C@@H](N)CO)C=C1 Y13816 [0,2,0,0,0,0|1,0,0]=3 47 B13R1.3088 COC1=C(O)C=C([C@@H](N)CO)C=C1 Y13817 [0,2,0,0,0,0|1,0,0]=3 48 B13R1.3088 COC1=C(O)C=C([C@@H](N)CO)C=C1 Y14027 [0,2,0,0,0,0|1,0,0]=3 49 B11R2.36 OC1=CC2=C(C=C1)COC2 D78662 [1,0,0,1,0,0|1,0,0]=3 50 B13R2.185 COC1=CC=C(C2CNC2)C=C1 85604 [0,1,0,1,0,0|0,0,0]=2 51 B13R2.186 COC1=NC=C(C2(N)CC2)C=C1 D77667 [0,1,0,1,0,0|1,0,0]=3 52 B13R2.2130 COC1=CC2=C(C=C1)[C@@H](N)CC2 Y14788 [0,1,0,1,0,0|0,0,0]=2 53 B13R2.2130 COC1=CC2=C(C=C1)[C@@H](N)CC2 Y14789 [0,1,0,1,0,0|0,0,0]=2 54 B13R2.57 C#CC1=CC2=C(C=C1)CCCC2 C12341 [0,1,0,1,0,0|1,0,1]=4 55 B13R2.57 CCC1=CC2=C(C=C1)CCCN2 Y14327 [0,1,0,1,0,0|1,0,0]=3 56 B13R2.57 CCC1=CC2=C(C=C1)NCCC2 Y13908 [0,1,0,1,0,0|1,0,0]=3 57 B13R2.57 COC1=CC2=C(C=C1)SCNC2 83461 [0,1,0,1,0,0|1,0,0]=3 58 B13R2.57 COC1=NC2=C(C=C1)CNCC2 89006 [0,1,0,1,0,0|1,0,0]=3 59 B13R2.57 COC1=NC=C2CNCCC2=C1 66262 [0,1,0,1,0,0|1,0,0]=3 60 B13R2.57 O=CC1=CC2=C(C=C1)CCCO2 94699 [0,1,0,1,0,0|2,0,0]=4 61 B13R2.57 O=CC1=CC2=C(C=C1)CNCC2 72318 [0,1,0,1,0,0|2,0,0]=4 62 B13R2.669 COC1=CC2=C(C=C1)C=NN2C 78709 [0,1,0,1,0,0|1,0,1]=4 63 B13R2.669 COC1=CC2=C(C=C1)CC[C@@H]2N Y13698 [0,1,0,1,0,0|0,0,0]=2 64 B13R2.599 COC1=CC2=C(C=C1N)OCO2 AC9649 [0,1,0,1,0,0|2,0,0]=4 65 B13R2.2396 N#CC1=C(N)C=C(C2CC2)C=C1 AC9178 [0,1,0,1,0,0|2,0,0]=4