0 B13R1.386 COC1=C(OC)C=C(CC=O)C=C1 O10461 [0,0,0,0,0,0|1,0,0]=1 1 B12R1.78 CCC1=C(OC)C=CC(OC)=C1 Y14613 [1,0,0,0,0,0|2,0,1]=4 2 B12R1.78 CCC1=CC(OC)=C(OC)C=C1 C75755 [1,0,0,0,0,0|0,0,1]=2 3 B12R1.78 COC1=C(C#N)C=CC(C=O)=C1 D76548 [1,0,0,0,0,0|3,0,0]=4 4 B12R1.78 COC1=C(OC)C=C(CO)N=C1 S10719 [1,0,0,0,0,0|2,0,0]=3 5 B12R1.78 COC1=C(OC)C=C(NN)C=C1 77968 [1,0,0,0,0,0|2,0,0]=3 6 B12R1.78 COC1=CC(C=O)=CN=C1OC 72230 [1,0,0,0,0,0|2,0,0]=3 7 B12R1.78 COC1=CC=C(C#N)N=C1OC 50603 [1,0,0,0,0,0|2,0,1]=4 8 B12R1.286 COC1=C(Br)C=CC(CCN)=C1 63217 [1,0,0,0,0,0|2,0,1]=4 9 B12R1.286 COC1=C(Cl)C=CC(CC#N)=C1 C10148 [1,0,0,0,0,0|2,0,1]=4 10 B12R1.288 COC1=C(Cl)C=C(CC#N)C=C1 F20215 [1,0,0,0,0,0|2,0,1]=4 11 B12R1.288 COC1=C(O)C=C(CC#N)C=C1 51447 [1,0,0,0,0,0|1,0,1]=3 12 B14R1.793 COC1=C(OC)C=C(CCC#N)C=C1 P16956 [0,1,0,0,0,0|0,0,2]=3 13 B14R1.1864 C=C[C@H](N)C1=CC(OC)=C(OC)C=C1 N15458 [0,1,0,0,0,0|0,0,0]=1 14 B14R1.1864 C=C[C@H](N)C1=CC(OC)=C(OC)C=C1 N15459 [0,1,0,0,0,0|0,0,0]=1 15 B14R1.1864 C=C[C@H](N)C1=CC(OC)=C(OC)C=C1 N15460 [0,1,0,0,0,0|0,0,0]=1 16 B14R1.1864 CC[C@H](N)C1=CC(OC)=C(OC)C=C1 Y10858 [0,1,0,0,0,0|0,0,2]=3 17 B14R1.1864 CC[C@H](N)C1=CC(OC)=C(OC)C=C1 Y11027 [0,1,0,0,0,0|0,0,2]=3 18 B14R1.1864 CC[C@H](N)C1=CC(OC)=C(OC)C=C1 Y11968 [0,1,0,0,0,0|0,0,2]=3 19 B14R1.1864 CC[C@H](N)C1=CC(OC)=C(OC)C=C1 Y14155 [0,1,0,0,0,0|0,0,2]=3 20 B14R1.1864 COC1=C(OC)C=C([C@@H](N)CO)C=C1 Y12058 [0,1,0,0,0,0|1,0,1]=3 21 B14R1.1864 COC1=C(OC)C=C([C@@H](N)CO)C=C1 Y12059 [0,1,0,0,0,0|1,0,1]=3 22 B14R1.1864 COC1=C(OC)C=C([C@@H](N)CO)C=C1 Y12280 [0,1,0,0,0,0|1,0,1]=3 23 B14R1.1864 COC1=C(OC)C=C([C@@H](O)CN)C=C1 AR2900 [0,1,0,0,0,0|1,0,1]=3 24 B14R1.3651 COC1=C(OC)C=C(C[C@H](C)O)C=C1 60612 [0,1,0,0,0,0|0,0,2]=3 25 B14R1.6787 CCOC1=C(OC)C=CC(\C=N\O)=C1 C12958 [0,1,0,0,0,0|2,0,1]=4 26 B14R1.10285 COC1=CC=C(CCN)C(Cl)=C1OC F53462 [0,1,0,0,0,0|1,0,1]=3 27 B14R1.14946 C=CCC1=CC(OC)=C(OC)C=C1O C75801 [0,1,0,0,0,0|0,0,0]=1 28 B14R2.82 COC1=C(OC)C=C2CNCC2=C1 84337 [0,0,0,1,0,0|1,0,1]=3 29 B14R2.82 COC1=C(OC)C=C2NCCC2=C1 F11824 [0,0,0,1,0,0|1,0,1]=3 30 B14R2.82 COC1=CC2=C(C=C1OC)SC=C2 D97500 [0,0,0,1,0,0|1,0,0]=2 31 B14R2.82 COC1=CC2=C(C=C1OC)SC=N2 C75730 [0,0,0,1,0,0|2,0,0]=3 32 B14R2.82 COC1=CC2=CON=C2C=C1OC D92897 [0,0,0,1,0,0|2,0,0]=3 33 B14R2.112 CNCC1=CC2=C(C=C1)OCCO2 71562 [0,0,0,1,0,0|1,0,1]=3 34 B14R2.1238 COC1=C(OC)C2=C(C=CN2)C=C1 D86118 [0,0,0,1,0,0|1,0,1]=3 35 B11R1.37 CCC1=C(OC)C=CC(Br)=C1 C74737 [2,0,0,0,0,0|2,0,0]=4 36 B11R1.37 COC1=C(CO)C=C(C)C=C1 A12781 [2,0,0,0,0,0|2,0,0]=4 37 B11R1.37 COC1=C(OC)C=C(N)N=C1 S10461 [2,0,0,0,0,0|2,0,0]=4 38 B11R1.37 COC1=C(SC)C=C(Br)C=C1 F15582 [2,0,0,0,0,0|1,1,0]=4 39 B11R1.37 COC1=C(SC)C=CC(N)=C1 72379 [2,0,0,0,0,0|1,1,0]=4 40 B11R1.37 COC1=CC(Br)=CN=C1OC 82178 [2,0,0,0,0,0|2,0,0]=4 41 B11R1.37 COC1=CC(C)=CN=C1OC C71876 [2,0,0,0,0,0|1,0,0]=3 42 B11R1.279 CCC1=CC(N)=C(OC)C=C1 W16778 [2,0,0,0,0,0|1,0,1]=4 43 B11R1.279 CCC1=CC(O)=C(OC)C=C1 O11426 [2,0,0,0,0,0|0,0,1]=3 44 B11R1.279 COC1=C(C)C=C(CO)C=C1 D87344 [2,0,0,0,0,0|1,0,0]=3 45 B11R1.279 COC1=C(Cl)C=C(CCl)C=C1 N12801 [2,0,0,0,0,0|2,0,0]=4 46 B11R1.279 COC1=C(N)C=C(CO)C=C1 74962 [2,0,0,0,0,0|2,0,0]=4 47 B11R1.279 COC1=C(O)C=C(CO)N=C1 79208 [2,0,0,0,0,0|2,0,0]=4 48 B11R1.279 COC1=CC(O)=C(OC)C=C1 25077 [2,0,0,0,0,0|1,0,1]=4 49 B11R1.279 COC1=NC=C(C=O)C=C1C 72229 [2,0,0,0,0,0|2,0,0]=4 50 B11R1.279 COC1=NC=C(CO)C=C1C 72276 [2,0,0,0,0,0|2,0,0]=4 51 B11R1.280 COC1=C(Br)C=CC(CBr)=C1 F52556 [2,0,0,0,0,0|2,0,0]=4 52 B11R1.280 COC1=C(C)C=CC(CN)=C1 78978 [2,0,0,0,0,0|1,0,0]=3 53 B11R1.280 COC1=C(C)C=CC(CN)=C1 N12583 [2,0,0,0,0,0|1,0,0]=3 54 B11R1.280 COC1=C(Cl)C=CC(CBr)=C1 76075 [2,0,0,0,0,0|2,0,0]=4 55 B11R1.280 COC1=C(Cl)C=CC(CN)=C1 76074 [2,0,0,0,0,0|2,0,0]=4 56 B11R1.280 COC1=C(Cl)C=CC(CO)=C1 VT1204 [2,0,0,0,0,0|2,0,0]=4 57 B11R1.280 COC1=C(N)C=CC(C=O)=C1 C90569 [2,0,0,0,0,0|2,0,0]=4 58 B11R1.280 COC1=C(N)C=CC(CO)=C1 F20106 [2,0,0,0,0,0|2,0,0]=4 59 B11R1.189 COC1=CC=CC(CC=O)=C1 W16819 [2,0,0,0,0,0|1,0,0]=3 60 B11R1.189 COC1=CC=CC(CSC)=C1 W19464 [2,0,0,0,0,0|1,0,1]=4 61 B11R1.192 CNCC1=CC(O)=C(O)C=C1 31716 [2,0,0,0,0,0|1,0,1]=4 62 B11R1.192 N#CCC1=CC(O)=C(O)C=C1 D82364 [2,0,0,0,0,0|1,0,1]=4 63 B11R1.192 OCCC1=CC(O)=C(O)C=C1 68063 [2,0,0,0,0,0|1,0,1]=4 64 B11R1.83 COC1=CC=C(CC=O)C=C1 F11615 [2,0,0,0,0,0|1,0,0]=3 65 B11R1.83 COC1=CC=C(CSC)C=C1 W18269 [2,0,0,0,0,0|1,0,1]=4 66 B13R1.434 COC1=CC(C=O)=CC(F)=C1OC 72336 [1,1,0,0,0,0|1,0,0]=3 67 B13R1.2200 COC1=CC(Br)=C(C#N)C=C1OC 76865 [1,1,0,0,0,0|1,0,1]=4 68 B13R1.2200 COC1=CC(Br)=C(OC)C=C1OC I11208 [1,1,0,0,0,0|1,0,1]=4 69 B13R1.2200 COC1=CC(C)=C(C=O)C=C1OC W16871 [1,1,0,0,0,0|1,0,0]=3 70 B13R1.2200 COC1=CC(Cl)=C(C=O)C=C1OC AC1567 [1,1,0,0,0,0|1,0,0]=3 71 B13R1.2200 COC1=CC(N)=C(C=O)C=C1OC F15879 [1,1,0,0,0,0|1,0,0]=3 72 B13R1.2200 COC1=CC(O)=C(C=O)C=C1OC 32264 [1,1,0,0,0,0|1,0,0]=3 73 B13R1.2200 COC1=CC(OC)=C(OC)C=C1N F19854 [1,1,0,0,0,0|1,0,1]=4 74 B13R1.2200 COC1=CC(OC)=C(OC)C=C1O W12391 [1,1,0,0,0,0|1,0,1]=4 75 B13R1.2422 COC1=CC=C(C=O)C(Br)=C1OC W13164 [1,1,0,0,0,0|1,0,0]=3 76 B13R1.2422 COC1=CC=C(C=O)C(F)=C1OC 98220 [1,1,0,0,0,0|1,0,0]=3 77 B13R1.2422 COC1=CC=C(CCl)C(Cl)=C1OC Y11009 [1,1,0,0,0,0|1,0,0]=3 78 B13R1.2422 COC1=CC=C(CO)C(Cl)=C1OC Y14775 [1,1,0,0,0,0|1,0,0]=3 79 B13R1.2430 COC1=C(C(C)C)C=C(C=O)C=C1 S11904 [1,1,0,0,0,0|2,0,0]=4 80 B13R1.3091 CNC1=C(OC)C=C(C(=O)O)C=C1 F52493 [1,1,0,0,0,0|2,0,0]=4 81 B13R1.3091 COC1=C(OC)C=C(C(N)=O)C=C1 A10942 [1,1,0,0,0,0|1,0,0]=3 82 B13R1.3091 COC1=C(OC)C=C([C@H](C)N)C=C1 N10951 [1,1,0,0,0,0|0,0,1]=3 83 B13R1.3091 COC1=C(OC)C=C([C@H](C)N)C=C1 Y10474 [1,1,0,0,0,0|0,0,1]=3 84 B13R1.3091 COC1=C(OC)C=C([C@H](C)N)C=C1 Y10475 [1,1,0,0,0,0|0,0,1]=3 85 B13R1.3091 COC1=C(OC)C=C([C@H](C)O)C=C1 29987 [1,1,0,0,0,0|0,0,1]=3 86 B13R1.3091 COC1=C(OC)N=C(C(=O)O)C=C1 D94973 [1,1,0,0,0,0|2,0,0]=4 87 B13R1.3091 COC1=CC(C(=O)O)=CN=C1OC Y13488 [1,1,0,0,0,0|2,0,0]=4 88 B13R1.3091 COC1=CN=C(C(=O)O)C=C1OC S10503 [1,1,0,0,0,0|2,0,0]=4 89 B13R1.52 COC1=C(C)C=CC(CC(=O)O)=C1 CL9702 [1,1,0,0,0,0|1,0,0]=3 90 B13R1.52 COC1=C(O)C=CC(OC(C)=O)=C1 AC6384 [1,1,0,0,0,0|1,0,1]=4 91 B13R1.575 COC1=C(O)C=CC(\C=C\C=O)=C1 42813 [1,1,0,0,0,0|0,0,1]=3 92 B13R1.35 COC1=C(C)C=C(NC(C)=O)C=C1 20576 [1,1,0,0,0,0|1,0,1]=4 93 B13R1.577 C=CCOC1=CC(C)=C(CO)C=C1 W15309 [1,1,0,0,0,0|2,0,0]=4 94 B13R1.577 COC1=C(O)C=C(\C=C\CO)C=C1 D80310 [1,1,0,0,0,0|0,0,2]=4 95 B15R1.9631 COC(=O)C1=C(OC)C=C(CCN)C=C1 56283 [0,2,0,0,0,0|1,0,1]=4 96 B15R1.1195 COC1=C(OC)C=C(CCNC=O)C=C1 D97517 [0,2,0,0,0,0|0,0,1]=3 97 B15R1.3769 COC1=C(OC)C=C(C[C@H](N)CO)C=C1 60220 [0,2,0,0,0,0|0,0,2]=4 98 B15R1.3769 COC1=C(OC)C=C(C\C(N)=N\O)C=C1 W15418 [0,2,0,0,0,0|1,0,0]=3 99 B15R1.12854 COC1=C(OC)C=C(\C=C\C(=O)O)C=C1 AC7547 [0,2,0,0,0,0|0,0,1]=3 100 B15R1.12853 COC1=C(OC)C=C([C@@H](N)C(=O)O)C=C1 AC1516 [0,2,0,0,0,0|1,0,0]=3 101 B15R1.3705 COC1=CC(CCO)=CC(OC)=C1OC 67682 [0,2,0,0,0,0|1,0,1]=4 102 B15R1.594 COC1=C(OC(C)=O)C=CC(CC#N)=C1 82866 [0,2,0,0,0,0|1,0,1]=4 103 B13R2.57 O=CC1=CC2=C(C=C1)OCCC2 Y10211 [1,0,0,1,0,0|2,0,0]=4 104 B13R2.57 O=CC1=NC2=C(C=C1)OCCO2 77896 [1,0,0,1,0,0|2,0,0]=4 105 B13R2.57 OCC1=CC2=C(C=C1)OCCN2 72222 [1,0,0,1,0,0|2,0,0]=4 106 B13R2.599 COC1=C(Br)C=C2C=CNC2=C1 76248 [1,0,0,1,0,0|2,0,0]=4 107 B13R2.599 COC1=C(C)C=C2C=CNC2=C1 76375 [1,0,0,1,0,0|1,0,0]=3 108 B13R2.599 COC1=C(C)C=C2NC=CC2=C1 85912 [1,0,0,1,0,0|1,0,1]=4 109 B13R2.599 COC1=C(Cl)C=C2C=CNC2=C1 P10307 [1,0,0,1,0,0|2,0,0]=4 110 B13R2.599 COC1=C(F)C=C2C=CNC2=C1 31986 [1,0,0,1,0,0|2,0,0]=4 111 B13R2.84 COC1=C(Br)C2=C(C=C1)NC=C2 53492 [1,0,0,1,0,0|2,0,0]=4 112 B13R2.84 COC1=C(Br)C2=C(C=C1)OC=C2 D82451 [1,0,0,1,0,0|2,0,0]=4 113 B13R2.84 COC1=C(C)C2=C(C=C1)NC=C2 A12401 [1,0,0,1,0,0|1,0,0]=3 114 B13R2.84 COC1=C(C)C2=C(C=C1)NC=N2 AC2081 [1,0,0,1,0,0|2,0,0]=4 115 B13R2.84 COC1=C(F)C2=C(C=C1)NC=C2 D82478 [1,0,0,1,0,0|2,0,0]=4 116 B15R2.117 COC1=CC2=CC=CN=C2C=C1OC P17810 [0,1,0,1,0,0|0,0,1]=3 117 B15R2.3136 COC1=CC=C2CCC(=O)C2=C1OC F52815 [0,1,0,1,0,0|0,0,1]=3 118 B15R2.3136 COC1=CC=C2CNC(=O)C2=C1OC 69780 [0,1,0,1,0,0|1,0,0]=3 119 B15R2.3136 COC1=CC=C2COC(=O)C2=C1OC AC2115 [0,1,0,1,0,0|1,0,0]=3 120 B15R2.20737 COC1=C(OC)C=C2C(=C1)C[C@@H]2CN C74811 [0,1,0,1,0,0|0,0,2]=4 121 B15R2.20737 COC1=C(OC)C=C2C(=C1)C[C@@H]2CN P16957 [0,1,0,1,0,0|0,0,2]=4 122 B15R2.21574 COC1=C(OC)C=C2C(=C1)CC[C@@H]2N 48431 [0,1,0,1,0,0|0,0,2]=4 123 B15R2.21574 COC1=C(OC)C=C2C(=C1)CC[C@@H]2N D81631 [0,1,0,1,0,0|0,0,2]=4 124 B15R2.21574 COC1=CC2=C(C=C1OC)C(=O)NC2 F18075 [0,1,0,1,0,0|1,0,0]=3 125 B15R2.1668 CC(=O)CC1=CC2=C(C=C1)OCCO2 W16412 [0,1,0,1,0,0|0,0,1]=3 126 B15R2.1668 C[C@H](O)CC1=CC2=C(C=C1)OCCO2 W16413 [0,1,0,1,0,0|0,0,2]=4 127 B15R2.1668 O=C(O)CC1=CC2=C(C=C1)OCCC2 71731 [0,1,0,1,0,0|2,0,0]=4 128 B15R2.2035 COC1=CC2=C(C=C1OC)SC(N)=N2 C16115 [0,1,0,1,0,0|2,0,0]=4 129 B13R1.358 CNCC1=CC(OC)=CC(OC)=C1 74961 [0,0,0,0,1,1|1,0,1]=4 130 B13R1.3911 CNCC1=CC=CC(OC)=C1OC 23799 [0,0,0,0,1,1|1,0,1]=4