0 B12R1.367 CC1=C(C=C(C=C1)/C(=N/N)/O)I JRD1340 [0,0,0,0,0,0|3,0,1]=4 1 B12R1.367 CC1=C(C=CC(=C1)C(=O)CCl)O PH016234 [0,0,0,0,0,0|2,0,2]=4 2 B12R1.367 CCC(=O)C1=CC=C(C(=C1)O)O PH011570 [0,0,0,0,0,0|1,0,2]=3 3 B12R1.367 CCC(C)C1=CC=C(C(=C1)Br)O PH010070 [0,0,0,0,0,0|3,0,0]=3 4 B12R1.367 CCC(C)C1=CC=C(C(=C1)N)O S626791 [0,0,0,0,0,0|3,0,0]=3 5 B12R1.367 CCC(C)C1=CC=C(C(=C1)O)O PH007367 [0,0,0,0,0,0|2,0,0]=2 6 B12R1.367 N/C(=N/O)/C1=CC=C(C(=C1)O)O BOG00049 [0,0,0,0,0,0|3,0,1]=4 7 B12R1.367 O=C(CCl)C1=CC(=C(C=C1)O)Cl PH015360 [0,0,0,0,0,0|2,0,2]=4 8 B12R1.367 O=C(NO)C1=CC=C(C(=C1)O)O PH005131 [0,0,0,0,0,0|2,0,2]=4 9 B11R1.21 CC(=O)C1=CC(=C(C=C1)O)O R174114 [1,0,0,0,0,0|0,0,2]=3 10 B11R1.21 CC(=O)C1=CC=C(C(=C1)F)O CDS002790 [1,0,0,0,0,0|1,0,2]=4 11 B11R1.21 CC(C)C1=CC(=C(C=C1)N)N CDS009515 [1,0,0,0,0,0|3,0,0]=4 12 B11R1.21 CC(C)C1=CC=C(C(=C1)N)O S818887 [1,0,0,0,0,0|2,0,0]=3 13 B11R1.21 CC(N)C1=CC=C(C(=C1)F)F CDS011131 [1,0,0,0,0,0|3,0,0]=4 14 B11R1.21 CC(O)C1=CC=C(C(=C1)Cl)Cl S345539 [1,0,0,0,0,0|2,0,0]=3 15 B11R1.21 CC1=CC=C(C=C1C)C(C)C S412686 [1,0,0,0,0,0|3,0,0]=4 16 B11R1.21 CC1=CC=C(C=C1O)N(C)C PH006982 [1,0,0,0,0,0|3,0,0]=4 17 B11R1.21 NC(=S)C1=CC=C(C(=C1)O)O BOG00242 [1,0,0,0,0,0|0,1,1]=3 18 B11R1.21 O=C(O)C1=CC=C(C(=C1)O)Cl CDS020712 [1,0,0,0,0,0|2,0,1]=4 19 B11R1.22 BrCC(Br)C1=CC=C(C=C1)Br S568422 [1,0,0,0,0,0|3,0,0]=4 20 B11R1.22 C=CC(O)C1=CC=C(C=C1)Cl PH007653 [1,0,0,0,0,0|2,0,1]=4 21 B11R1.22 CCC(Cl)C1=CC=C(C=C1)C S722235 [1,0,0,0,0,0|3,0,0]=4 22 B11R1.22 CCC(N)C1=CC=C(C=C1)C CBR02307 [1,0,0,0,0,0|3,0,0]=4 23 B11R1.22 CCC(N)C1=CC=C(C=C1)F CDS005688 [1,0,0,0,0,0|3,0,0]=4 24 B11R1.22 CCC(N)C1=CC=C(C=C1)O CBR00896 [1,0,0,0,0,0|2,0,0]=3 25 B11R1.22 CCC(O)C1=CC=C(C=C1)Br S434892 [1,0,0,0,0,0|2,0,0]=3 26 B11R1.22 CCC(O)C1=CC=C(C=C1)Cl S434884 [1,0,0,0,0,0|2,0,0]=3 27 B11R1.22 CCC(O)C1=CC=C(C=C1)F S434876 [1,0,0,0,0,0|2,0,0]=3 28 B11R1.22 CC[C@@H](O)C1=CC=C(C=C1)Cl PH018690 [1,0,0,0,0,0|2,0,0]=3 29 B11R1.22 CC[C@H](O)C1=CC=C(C=C1)Cl PH018691 [1,0,0,0,0,0|2,0,0]=3 30 B11R1.22 N#CC(O)C1=CC=C(C=C1)O PH015025 [1,0,0,0,0,0|0,0,2]=3 31 B11R1.22 NC(CF)C1=CC=C(C=C1)F CVT00026 [1,0,0,0,0,0|3,0,0]=4 32 B11R1.22 NC(CO)C1=CC=C(C=C1)Br CDS023854 [1,0,0,0,0,0|3,0,0]=4 33 B11R1.22 NCC(=O)C1=CC=C(C=C1)Cl S138916 [1,0,0,0,0,0|1,0,2]=4 34 B11R1.22 NCC(=O)C1=CC=C(C=C1)F CDS003453 [1,0,0,0,0,0|1,0,2]=4 35 B11R1.22 O/N=C(/O)\C1=CC=C(C=C1)O S566594 [1,0,0,0,0,0|2,0,1]=4 36 B11R1.22 O=C(CBr)C1=CC=C(C=C1)O CDS013566 [1,0,0,0,0,0|1,0,2]=4 37 B11R1.22 O=C(CCl)C1=CC=C(C=C1)O S313750 [1,0,0,0,0,0|1,0,2]=4 38 B11R1.23 CCC(=O)C1=CC=CC(=C1)O PH010905 [1,0,0,0,0,0|1,0,2]=4 39 B11R1.23 CCC(O)C1=NC(=CC=C1)N PH018486 [1,0,0,0,0,0|3,0,0]=4 40 B11R1.23 CC[C@@H](O)C1=CC(=CC=C1)F PH018824 [1,0,0,0,0,0|2,0,0]=3 41 B11R1.23 CC[C@H](O)C1=CC(=CC=C1)F PH018897 [1,0,0,0,0,0|2,0,0]=3 42 B11R1.23 NC(CF)C1=CC(=CC=C1)Br CVT00033 [1,0,0,0,0,0|3,0,0]=4 43 B11R1.23 OC1=CC=CC(=C1)C(CN)O TMT00167 [1,0,0,0,0,0|0,0,0]=1 44 B11R1.192 CC1=CC=C(C=C1C)CCN CDS003135 [1,0,0,0,0,0|2,0,0]=3 45 B11R1.192 CC1=CC=C(C=C1C)CON PH013762 [1,0,0,0,0,0|3,0,0]=4 46 B11R1.192 CCCC1=CC=C(C(=C1)N)O R703311 [1,0,0,0,0,0|2,0,0]=3 47 B11R1.192 N#CCC1=CC(=C(C=C1)O)O PH005053 [1,0,0,0,0,0|0,0,2]=3 48 B11R1.192 OCCC1=CC(=C(C=C1)F)Cl CDS022215 [1,0,0,0,0,0|3,0,0]=4 49 B11R1.192 OCCC1=CC=C(C(=C1)Br)O S739227 [1,0,0,0,0,0|2,0,0]=3 50 B13R1.49 COC1=C(C=CC(=C1)C(=O)CO)O PH009027 [0,1,0,0,0,0|1,0,2]=4 51 B13R1.49 COC1=C(C=CC(=C1)C(=O)NN)O R258059 [0,1,0,0,0,0|1,0,2]=4 52 B13R1.272 CC(C)(CN)C1=CC=C(C(=C1)Cl)Cl CDS023678 [0,1,0,0,0,0|3,0,0]=4 53 B13R1.272 CCC(C)(C)C1=CC=C(C(=C1)Cl)O S565989 [0,1,0,0,0,0|3,0,0]=4 54 B13R1.466 CNCC(O)C1=CC(=C(C=C1)F)F PH015262 [0,1,0,0,0,0|2,0,0]=3 55 B13R1.3088 COC1=CC=C(C=C1O)C(O)C#N S114057 [0,1,0,0,0,0|0,0,2]=3 56 B13R1.2879 CCC(N)CC1=CC(=C(C=C1)C)O T340685 [0,0,0,0,0,1|3,0,0]=4 57 B10R1.13 CC(C)C1=CC=C(C=C1)F S362034 [2,0,0,0,0,0|2,0,0]=4 58 B10R1.13 CC(C)C1=CC=C(C=C1)S R262188 [2,0,0,0,0,0|1,1,0]=4 59 B10R1.13 N=C(N)C1=CC=C(C=C1)O L496618 [2,0,0,0,0,0|1,0,1]=4 60 B10R1.13 N=C(N)C1=CC=C(C=C1)O PH016728 [2,0,0,0,0,0|1,0,1]=4 61 B10R1.13 N=C(N)C1=CC=C(C=C1)O S761559 [2,0,0,0,0,0|1,0,1]=4 62 B10R1.13 NC(=S)C1=CC=C(C=C1)O CDS003997 [2,0,0,0,0,0|0,1,1]=4 63 B10R1.113 CC(C)C1=CC(=CC=C1)N CDS000639 [2,0,0,0,0,0|2,0,0]=4 64 B10R1.113 CC(C)C1=CC=CC(=C1)Br CDS003768 [2,0,0,0,0,0|2,0,0]=4 65 B10R1.113 CC(N)C1=CC=CC(=C1)O CDS012752 [2,0,0,0,0,0|1,0,0]=3 66 B10R1.113 CC(O)C1=CC=CC(=N1)N PH018818 [2,0,0,0,0,0|2,0,0]=4 67 B10R1.113 CC(O)C1=C[N+](=CC=C1)[O-] S668419 [2,0,0,0,0,0|1,0,1]=4 68 B10R1.113 CC1=CC(=CC=C1)C(C)N CDS020205 [2,0,0,0,0,0|2,0,0]=4 69 B10R1.113 CC1=CC(=CC=C1)[C@H](C)N CDS015842 [2,0,0,0,0,0|2,0,0]=4 70 B10R1.113 N=C(N)C1=CC=CC(=C1)O PH015280 [2,0,0,0,0,0|1,0,1]=4 71 B10R1.176 CC1=C(C=C(C=C1)CN)C CDS002514 [2,0,0,0,0,0|2,0,0]=4 72 B10R1.176 CC1=C(C=CC(=C1)CN)F CDS003159 [2,0,0,0,0,0|2,0,0]=4 73 B10R1.176 CCC1=CC=C(C(=C1)N)O TMT00004 [2,0,0,0,0,0|1,0,0]=3 74 B10R1.176 COC1=CC(=C(C=C1)O)C T276596 [2,0,0,0,0,0|2,0,0]=4 75 B10R1.176 COC1=CC=C(C(=C1)O)Cl S452114 [2,0,0,0,0,0|2,0,0]=4 76 B10R1.176 CSC1=CC=C(C(=C1)C)O S533777 [2,0,0,0,0,0|2,0,0]=4 77 B10R1.176 CSC1=CC=C(C(=C1)O)N S883239 [2,0,0,0,0,0|2,0,0]=4 78 B10R1.176 NCC1=CC=C(C(=C1)Br)F CDS001554 [2,0,0,0,0,0|2,0,0]=4 79 B10R1.176 OCC1=CC(=C(C=C1)Br)Br PH010512 [2,0,0,0,0,0|2,0,0]=4 80 B10R1.176 OCC1=CC(=C(C=N1)O)O CBR00377 [2,0,0,0,0,0|1,0,0]=3 81 B10R1.176 OCC1=CC=C(C(=C1)F)Cl CDS010758 [2,0,0,0,0,0|2,0,0]=4 82 B10R1.176 OCC1=CC=C(C(=N1)Br)O ADE000154 [2,0,0,0,0,0|2,0,0]=4 83 B10R1.1 CC1=CC=C(C=C1)CNN CBR00829 [2,0,0,0,0,0|2,0,0]=4 84 B10R1.1 CC1=NC=C(C=C1)CCN CDS023206 [2,0,0,0,0,0|2,0,0]=4 85 B10R1.1 CCCC1=CC=C(C=C1)Cl CDS002895 [2,0,0,0,0,0|2,0,0]=4 86 B10R1.1 COCC1=CC=C(C=C1)O S392596 [2,0,0,0,0,0|2,0,0]=4 87 B10R1.1 FC1=CC=C(C=C1)CCCl CDS020717 [2,0,0,0,0,0|2,0,0]=4 88 B10R1.1 NNCC1=CC=C(C=C1)F CBR00828 [2,0,0,0,0,0|2,0,0]=4 89 B10R1.15 CC(CBr)C1=CC=CC=C1 S461210 [2,0,0,0,0,0|2,0,0]=4 90 B10R1.15 CC(NN)C1=CC=CC=C1 PH009827 [2,0,0,0,0,0|2,0,0]=4 91 B10R1.15 ClCC(Cl)C1=CC=CC=C1 PH010970 [2,0,0,0,0,0|2,0,0]=4 92 B10R1.15 NC(CO)C1=CC=CC=C1 CDS003505 [2,0,0,0,0,0|2,0,0]=4 93 B10R1.15 NCC(Cl)C1=CC=CC=C1 PH012604 [2,0,0,0,0,0|1,0,0]=3 94 B10R1.15 OC(CBr)C1=CC=CC=N1 PH013752 [2,0,0,0,0,0|2,0,0]=4 95 B10R1.10 CC1=CC(=CC=C1)CNN CBR00827 [2,0,0,0,0,0|2,0,0]=4 96 B10R1.10 CC1=CC=CC(=N1)CCN CBR01608 [2,0,0,0,0,0|2,0,0]=4 97 B10R1.10 CCCC1=CC(=CC=C1)O CDS001518 [2,0,0,0,0,0|1,0,0]=3 98 B10R1.10 CCNC1=CC=CC(=C1)O PH010496 [2,0,0,0,0,0|2,0,0]=4 99 B10R1.10 FC1=CC=CC(=C1)CCBr CDS000178 [2,0,0,0,0,0|2,0,0]=4 100 B10R1.10 NNCC1=CC(=CC=C1)F PHB00030 [2,0,0,0,0,0|2,0,0]=4 101 B10R1.10 NNCC1=CC=CC(=C1)Cl CBR00830 [2,0,0,0,0,0|2,0,0]=4 102 B12R1.23 CC1=CC=C(C=C1O)C(C)(C)C PH002954 [1,1,0,0,0,0|2,0,0]=4 103 B12R1.23 O=S(=O)(O)C1=CC=C(C(=C1)O)O PH006902 [1,1,0,0,0,0|2,0,0]=4 104 B12R1.48 COC1=CC=C(C=C1O)B(O)O CDS019414 [1,1,0,0,0,0|2,0,0]=4 105 B12R1.56 CC(C)C1=CC(=C(C=C1)O)C=O ASX00021 [1,1,0,0,0,0|1,0,1]=4 106 B12R1.56 COC1=C(C=CC(=C1)C(=S)N)O VBP00049 [1,1,0,0,0,0|0,1,1]=4 107 B12R1.232 O=C(O)C1=CC(=C(C=C1O)O)O L168718 [1,1,0,0,0,0|1,0,1]=4 108 B12R1.893 CC1=C(C(=C(C=C1)C(C)C)O)O S351784 [1,1,0,0,0,0|2,0,0]=4 109 B12R1.1005 O=C(O)C1=CC(=C(C(=C1)O)O)Br S843792 [1,1,0,0,0,0|1,0,1]=4 110 B12R1.5 CCC(O)C1=CC=C(C=C1)OC S434906 [1,1,0,0,0,0|1,0,0]=3 111 B12R1.5 COC1=CC=C(C=C1)C(N)CF CVT00027 [1,1,0,0,0,0|2,0,0]=4 112 B12R1.5 COC1=CC=C(C=C1)C(O)CN CDS005190 [1,1,0,0,0,0|0,0,0]=2 113 B12R1.9 CC(C)(CN)C1=CC=C(C=C1)Cl OTV000618 [1,1,0,0,0,0|2,0,0]=4 114 B12R1.9 CCC(C)(O)C1=CC=C(C=C1)Br S497274 [1,1,0,0,0,0|2,0,0]=4 115 B12R1.16 CCCC(O)C1=CC=C(C=C1)Br S431877 [1,1,0,0,0,0|2,0,0]=4 116 B12R1.16 CCCC(O)C1=CC=C(C=C1)C S446955 [1,1,0,0,0,0|2,0,0]=4 117 B12R1.16 CCCC(O)C1=CC=C(C=C1)Cl S418080 [1,1,0,0,0,0|2,0,0]=4 118 B12R1.16 CCCC(O)C1=CC=C(C=C1)F S447226 [1,1,0,0,0,0|2,0,0]=4 119 B12R1.16 CNCC(O)C1=CC=C(C=C1)O S433233 [1,1,0,0,0,0|0,0,0]=2 120 B12R1.1703 OC(CCl)C1=CC=C(C=C1Cl)Cl R426784 [1,1,0,0,0,0|2,0,0]=4 121 B12R1.10 CC(C)(CN)C1=CC=CC(=C1)Cl OTV000601 [1,1,0,0,0,0|2,0,0]=4 122 B12R1.17 C=CCC(O)C1=CC=CC(=C1)Br PH018221 [1,1,0,0,0,0|2,0,0]=4 123 B12R1.17 CNC[C@H](O)C1=CC(=CC=C1)O CDS000481 [1,1,0,0,0,0|0,0,0]=2 124 B12R1.225 OC(C1=CC=CC(=C1)Cl)C(Cl)Cl S407143 [1,1,0,0,0,0|2,0,0]=4 125 B12R1.435 COC1=CC=CC(=C1)C(Br)CBr PH006231 [1,1,0,0,0,0|2,0,0]=4 126 B12R1.286 CCCC1=CC=C(C(=C1)C=O)O ASX00135 [1,1,0,0,0,0|1,0,1]=4 127 B12R1.288 CCCC1=CC=C(C(=C1)O)OC CDS009889 [1,1,0,0,0,0|1,0,0]=3 128 B12R1.288 COC1=CC=C(C=C1Cl)CCN CDS008271 [1,1,0,0,0,0|1,0,0]=3 129 B12R1.385 CC1=CC(=CC=C1Cl)OCCN CDS018207 [1,1,0,0,0,0|2,0,0]=4 130 B14R1.1003 CCC(C)C(=O)C1=CC=C(C(=C1)O)O PH008914 [0,1,0,0,0,1|2,0,0]=4 131 B14R1.44 COC1=CC(=CC=C1O)C(OC)OC S291404 [0,2,0,0,0,0|2,0,0]=4 132 B14R1.1864 C#CC(O)C1=CC=C(C(=C1)OC)OC R149942 [0,2,0,0,0,0|1,0,1]=4 133 B14R1.1864 COC1=C(C=C(C=C1)C(O)C#N)OC PH010389 [0,2,0,0,0,0|0,0,2]=4 134 B14R1.2283 COC1=CC(=C(C=C1O)Br)C(=O)CN S105368 [0,2,0,0,0,0|0,0,2]=4 135 B14R1.747 CCC(O)C1=CC=C(C(=C1)O)C(=O)O T135275 [0,2,0,0,0,0|1,0,0]=3 136 B12R2.2302 FC1=CC=C(C=C1)C2CNC2 CDS020373 [1,0,0,1,0,0|2,0,0]=4 137 B12R2.2313 ClC1=CC=CC(=C1)C2CNC2 CDS020411 [1,0,0,1,0,0|2,0,0]=4 138 B12R2.82 CC1=C(C2=C(C=C1)CCC2)O T164534 [1,0,0,1,0,0|2,0,0]=4 139 B12R2.100 OC1=CC2=C(C=C1O)NC=C2 CDS021567 [1,0,0,1,0,0|0,0,2]=4 140 B12R1.49 CC1=CC=C(C=C1)CC(O)CCl S838438 [1,0,0,0,0,1|2,0,0]=4