0 B13R1.148 CC(=O)N(C)CC1=CC(=CC=C1)N Z368504818 [0,0,0,0,0,0|4,0,0]=4 1 B13R1.148 CC(CC1=CC(=CC=C1)Cl)C(=O)O Z513660282 [0,0,0,0,0,0|2,0,0]=2 2 B13R1.148 CC(CC1=CC(=CC=C1)F)C(=O)O Z513660066 [0,0,0,0,0,0|2,0,0]=2 3 B13R1.148 CC(OC1=CC(=CC=C1)Br)C(=O)O Z228583330 [0,0,0,0,0,0|3,0,0]=3 4 B13R1.148 CC(OC1=CC(=CC=C1)Cl)C(=O)N Z19740686 [0,0,0,0,0,0|4,0,0]=4 5 B13R1.148 CC(OC1=CC(=CC=C1)Cl)C(=O)O Z57042071 [0,0,0,0,0,0|3,0,0]=3 6 B13R1.148 CC(OC1=CC(=CC=C1)F)C(=O)O Z228583338 [0,0,0,0,0,0|3,0,0]=3 7 B13R1.148 CC(OC1=CC(=CC=C1)N)C(=O)O Z274525908 [0,0,0,0,0,0|3,0,0]=3 8 B13R1.148 CC(OC1=CC(=CC=C1)O)C(=O)N Z381415416 [0,0,0,0,0,0|4,0,0]=4 9 B13R1.148 CC1=CC(=CC=C1)CC(N)C(=O)O Z2470414651 [0,0,0,0,0,0|0,0,0]=0 10 B13R1.148 CC1=CC(=CN=C1)CC(N)C(=O)O Z3401637181 [0,0,0,0,0,0|1,0,0]=1 11 B13R1.148 CC1=CC=CC(=C1)OC(C)C(=O)N Z19732836 [0,0,0,0,0,0|3,0,0]=3 12 B13R1.148 CC1=CC=CC(=C1)OC(C)C(=O)O Z56917379 [0,0,0,0,0,0|2,0,0]=2 13 B13R1.148 CC1=NC(=CC=C1)CC(N)C(=O)O Z4910394436 [0,0,0,0,0,0|1,0,0]=1 14 B13R1.148 C[N+]1=CC(=CC=C1)CC(N)C(=O)O Z3827376923 [0,0,0,0,0,0|1,0,0]=1 15 B13R1.148 NC(CC1=CC(=CC=C1)Br)C(=O)O Z1770192944 [0,0,0,0,0,0|1,0,0]=1 16 B13R1.148 NC(CC1=CC(=CC=C1)Cl)C(=O)O Z1374884687 [0,0,0,0,0,0|1,0,0]=1 17 B13R1.148 NC(CC1=CC(=CC=C1)O)C(=O)O Z317025828 [0,0,0,0,0,0|1,0,0]=1 18 B13R1.148 NC(CC1=CC(=CN=C1)Br)C(=O)O Z3444795124 [0,0,0,0,0,0|2,0,0]=2 19 B13R1.148 NC(CC1=CC(=CN=C1)Cl)C(=O)O Z3353591955 [0,0,0,0,0,0|2,0,0]=2 20 B13R1.148 NC(CC1=CC(=CN=C1)F)C(=O)O Z3376051877 [0,0,0,0,0,0|2,0,0]=2 21 B13R1.148 NC(CC1=CC(=CN=C1)O)C(=O)O Z3400819408 [0,0,0,0,0,0|2,0,0]=2 22 B13R1.148 NC(CC1=CC(=NC=C1)O)C(=O)O Z3481534727 [0,0,0,0,0,0|2,0,0]=2 23 B13R1.148 NC(CC1=NC(=CC=N1)O)C(=O)O Z3326140144 [0,0,0,0,0,0|3,0,0]=3 24 B13R1.148 NC(CC1=NC=CC(=C1)Cl)C(=O)O Z3780525124 [0,0,0,0,0,0|2,0,0]=2 25 B13R1.148 NC(CC1=NC=NC(=C1)O)C(=O)O Z3531845722 [0,0,0,0,0,0|3,0,0]=3 26 B13R1.148 NC1=CC(=NC=C1)CC(N)C(=O)O Z3400147310 [0,0,0,0,0,0|2,0,0]=2 27 B13R1.148 N[C@@H](CC1=CC(=CC=C1)O)C(=O)O Z995228186 [0,0,0,0,0,0|1,0,0]=1 28 B13R1.148 N[C@H](CC1=CC(=CC=C1)O)C(=O)O Z995228562 [0,0,0,0,0,0|1,0,0]=1 29 B13R1.148 O=C(O)C(O)CC1=CC(=CC=C1)Cl Z1269030667 [0,0,0,0,0,0|2,0,0]=2 30 B12R1.43 C/C(=C\C1=CC=CC=C1)/C(=O)O Z2980228149 [1,0,0,0,0,0|1,0,2]=4 31 B12R1.43 CC(=O)C(N)CC1=CC=CC=C1 Z90124995 [1,0,0,0,0,0|1,0,0]=2 32 B12R1.43 CC(CC1=CC=CC=C1)C(=O)O Z513624710 [1,0,0,0,0,0|1,0,0]=2 33 B12R1.43 CC(CC1=CC=NC=C1)C(=O)O Z3477804988 [1,0,0,0,0,0|2,0,0]=3 34 B12R1.43 CC(NC1=CC=CC=C1)C(=O)O Z57982184 [1,0,0,0,0,0|2,0,0]=3 35 B12R1.43 CC(OC1=CC=CC=C1)C(=O)O Z57825333 [1,0,0,0,0,0|2,0,0]=3 36 B12R1.43 CC(OC1=CN=CC=C1)C(=O)O Z336080820 [1,0,0,0,0,0|3,0,0]=4 37 B12R1.43 CC(OC1=NC=CC=C1)C(=O)O Z360507460 [1,0,0,0,0,0|3,0,0]=4 38 B12R1.43 CC(SC1=CC=CC=C1)C(=O)N Z19751098 [1,0,0,0,0,0|3,0,0]=4 39 B12R1.43 CC(SC1=CC=CC=C1)C(=O)O Z90122656 [1,0,0,0,0,0|2,0,0]=3 40 B12R1.43 CC(SC1=NC=CC=C1)C(=O)O Z31250551 [1,0,0,0,0,0|3,0,0]=4 41 B12R1.43 CN(CC1=CC=CC=C1)C(=O)N Z198194348 [1,0,0,0,0,0|3,0,0]=4 42 B12R1.43 C[C@@H](CC1=CC=CC=C1)C(=O)O Z1262510261 [1,0,0,0,0,0|1,0,0]=2 43 B12R1.43 NC(=O)C(N)CC1=CC=CC=C1 Z317075516 [1,0,0,0,0,0|1,0,0]=2 44 B12R1.43 NC(=O)C(N)CC1=NC=CC=C1 Z4981909244 [1,0,0,0,0,0|2,0,0]=3 45 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 Z760046820 [1,0,0,0,0,0|1,0,0]=2 46 B12R1.43 NC(=O)[C@H](N)CC1=CC=CC=C1 Z933616656 [1,0,0,0,0,0|1,0,0]=2 47 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O Z57127433 [1,0,0,0,0,0|0,0,0]=1 48 B12R1.43 NC(CC1=CC=NC=C1)C(=O)O Z1675026076 [1,0,0,0,0,0|1,0,0]=2 49 B12R1.43 NC(CC1=CN=CC=C1)C(=O)O Z3235906342 [1,0,0,0,0,0|1,0,0]=2 50 B12R1.43 NC(CC1=CN=CN=C1)C(=O)O Z3697694105 [1,0,0,0,0,0|2,0,0]=3 51 B12R1.43 NC(CC1=NC=CC=C1)C(=O)O Z3235025558 [1,0,0,0,0,0|1,0,0]=2 52 B12R1.43 NC(CC1=NC=CC=N1)C(=O)O Z2432992279 [1,0,0,0,0,0|2,0,0]=3 53 B12R1.43 NC(CC1=NC=NC=C1)C(=O)O Z2470415568 [1,0,0,0,0,0|2,0,0]=3 54 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O Z756430566 [1,0,0,0,0,0|0,0,0]=1 55 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O Z933646062 [1,0,0,0,0,0|0,0,0]=1 56 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 Z285151774 [1,0,0,0,0,0|1,0,1]=3 57 B12R1.43 O=C(O)C(=O)NC1=CC=CC=C1 Z362848468 [1,0,0,0,0,0|2,0,1]=4 58 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 Z788000648 [1,0,0,0,0,0|1,0,0]=2 59 B12R1.43 O=C(O)C(O)CC1=NC=CC=C1 Z3486862716 [1,0,0,0,0,0|2,0,0]=3 60 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 Z1255386695 [1,0,0,0,0,0|1,0,0]=2 61 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 Z1255364914 [1,0,0,0,0,0|1,0,0]=2 62 B12R1.50 C#CC(N)CC1=CC(=CC=C1)F Z3178895122 [1,0,0,0,0,0|2,0,1]=4 63 B12R1.50 CC1=CC(=CC=C1)CC(N)CO Z1801307645 [1,0,0,0,0,0|0,0,1]=2 64 B12R1.50 CC1=NC(=CC=C1)CC(N)CO Z4870594850 [1,0,0,0,0,0|1,0,1]=3 65 B12R1.50 CNC(C)CC1=CC(=CC=C1)C Z2311236342 [1,0,0,0,0,0|3,0,0]=4 66 B12R1.50 NC(CO)CC1=CC(=CC=C1)F Z1198222234 [1,0,0,0,0,0|1,0,1]=3 67 B12R1.226 CC(=O)CCC1=CC(=CC=C1)C Z406376778 [1,0,0,0,0,0|1,0,0]=2 68 B12R1.226 CC(=O)CCC1=CC(=CC=C1)F Z406376716 [1,0,0,0,0,0|2,0,0]=3 69 B12R1.226 CC(=O)NCC1=CC(=CC=C1)Br Z340632658 [1,0,0,0,0,0|3,0,0]=4 70 B12R1.226 CC(=O)NCC1=CC(=CC=C1)F Z340527618 [1,0,0,0,0,0|3,0,0]=4 71 B12R1.226 CC(=O)NNC1=CC(=CC=C1)C Z30552180 [1,0,0,0,0,0|3,0,0]=4 72 B12R1.226 CC1=CC(=CC=C1)/C=C/C(=O)O Z2942851787 [1,0,0,0,0,0|0,0,2]=3 73 B12R1.226 CC1=CC(=CC=C1)CCC(=O)N Z194976514 [1,0,0,0,0,0|1,0,0]=2 74 B12R1.226 CC1=CC(=CC=C1)CCC(=O)O Z169993866 [1,0,0,0,0,0|0,0,0]=1 75 B12R1.226 CC1=CC(=CC=C1)CNC(=S)N Z847147370 [1,0,0,0,0,0|2,1,0]=4 76 B12R1.226 CC1=CC(=CC=C1)CSC(=N)N Z57992123 [1,0,0,0,0,0|3,0,0]=4 77 B12R1.226 CC1=CC(=CC=C1)NCC(=O)N Z104589324 [1,0,0,0,0,0|2,0,0]=3 78 B12R1.226 CC1=CC(=CC=C1)OCC(=O)N Z19732960 [1,0,0,0,0,0|2,0,0]=3 79 B12R1.226 CC1=CC(=CC=C1)OCC(=O)O Z56899056 [1,0,0,0,0,0|1,0,0]=2 80 B12R1.226 CC1=CC(=CC=C1)SCC(=O)O Z778642574 [1,0,0,0,0,0|1,0,0]=2 81 B12R1.226 CC1=CC(=CN=C1)/C=C/C(=O)O Z1473962891 [1,0,0,0,0,0|1,0,2]=4 82 B12R1.226 CC1=NC(=NC=C1)SCC(=O)O Z55903468 [1,0,0,0,0,0|3,0,0]=4 83 B12R1.226 CC1=NC=NC(=C1)NCC(=O)O Z314662014 [1,0,0,0,0,0|3,0,0]=4 84 B12R1.226 NC(=O)CCC1=CC(=CC=C1)N Z414316850 [1,0,0,0,0,0|2,0,0]=3 85 B12R1.226 NC(=O)CNC1=CC(=CC=C1)Br Z104587998 [1,0,0,0,0,0|3,0,0]=4 86 B12R1.226 NC(=O)CNC1=CC(=CC=C1)F Z104640682 [1,0,0,0,0,0|3,0,0]=4 87 B12R1.226 NC(=O)COC1=CC(=CC=C1)F Z19755608 [1,0,0,0,0,0|3,0,0]=4 88 B12R1.226 NC(=O)COC1=CC(=CC=C1)I Z25076202 [1,0,0,0,0,0|3,0,0]=4 89 B12R1.226 NC(=O)COC1=CC(=CC=C1)N Z235344273 [1,0,0,0,0,0|3,0,0]=4 90 B12R1.226 NC(=O)COC1=CC(=CC=C1)O Z381415558 [1,0,0,0,0,0|3,0,0]=4 91 B12R1.226 NC(=O)NCC1=CC(=CC=C1)F Z362629554 [1,0,0,0,0,0|3,0,0]=4 92 B12R1.226 NC1=CC(=CC=C1)/C=C/C(=O)O Z2942853438 [1,0,0,0,0,0|1,0,2]=4 93 B12R1.226 O=C(O)/C=C/C1=CC(=CC=C1)Br Z2312942093 [1,0,0,0,0,0|1,0,2]=4 94 B12R1.226 O=C(O)/C=C/C1=CC(=CC=C1)Cl Z2573655238 [1,0,0,0,0,0|1,0,2]=4 95 B12R1.226 O=C(O)/C=C/C1=CC(=CC=C1)F Z2935925467 [1,0,0,0,0,0|1,0,2]=4 96 B12R1.226 O=C(O)/C=C/C1=CC(=CC=C1)O Z247613734 [1,0,0,0,0,0|1,0,2]=4 97 B12R1.226 O=C(O)C#CC1=CC(=CC=C1)Cl Z1143242523 [1,0,0,0,0,0|1,0,2]=4 98 B12R1.226 O=C(O)CCC1=CC(=CC=C1)Br Z56943439 [1,0,0,0,0,0|1,0,0]=2 99 B12R1.226 O=C(O)CCC1=CC(=CC=C1)F Z185153196 [1,0,0,0,0,0|1,0,0]=2 100 B12R1.226 O=C(O)CCC1=CC(=CC=C1)O Z317038038 [1,0,0,0,0,0|1,0,0]=2 101 B12R1.226 O=C(O)CCC1=CC(=CN=C1)F Z1262517660 [1,0,0,0,0,0|2,0,0]=3 102 B12R1.226 O=C(O)CCC1=CC(=CN=C1)O Z1504676734 [1,0,0,0,0,0|2,0,0]=3 103 B12R1.226 O=C(O)CNC1=CC(=CC=C1)Cl Z274534700 [1,0,0,0,0,0|2,0,0]=3 104 B12R1.226 O=C(O)COC1=CC(=CC=C1)Br Z56812737 [1,0,0,0,0,0|2,0,0]=3 105 B12R1.226 O=C(O)COC1=CC(=CC=C1)Cl Z57008935 [1,0,0,0,0,0|2,0,0]=3 106 B12R1.226 O=C(O)COC1=CC(=CN=C1)Br Z1206892989 [1,0,0,0,0,0|3,0,0]=4 107 B12R1.226 O=C(O)CSC1=CC(=CC=C1)Br Z255149890 [1,0,0,0,0,0|2,0,0]=3 108 B12R1.226 O=C(O)CSC1=CC(=CC=C1)Cl Z994465872 [1,0,0,0,0,0|2,0,0]=3 109 B12R1.226 O=C(O)CSC1=CC(=CC=C1)F Z1198220671 [1,0,0,0,0,0|2,0,0]=3 110 B12R1.226 O=C(O)CSC1=CC(=CC=C1)O Z1262555002 [1,0,0,0,0,0|2,0,0]=3 111 B14R1.75 C#CC1=CC=CC(=C1)NC(C)C(=O)O Z852756372 [0,1,0,0,0,0|2,0,1]=4 112 B14R1.75 CC(OC1=CC(=CC=C1)C#N)C(=O)O Z149253096 [0,1,0,0,0,0|2,0,1]=4 113 B14R1.75 CC(OC1=CC(=CC=C1)C=O)C(=O)O Z111577188 [0,1,0,0,0,0|2,0,1]=4 114 B14R1.75 CC(OC1=CC(=CC=C1)CO)C(=O)O Z839162766 [0,1,0,0,0,0|2,0,0]=3 115 B14R1.75 COC1=CC(=CC=C1)/C=C(\C)/C(=O)O Z57229610 [0,1,0,0,0,0|1,0,2]=4 116 B14R1.75 COC1=CC(=CC=C1)CC(=O)C(=O)O Z271004522 [0,1,0,0,0,0|1,0,1]=3 117 B14R1.75 COC1=CC(=CC=C1)CC(N)C(=O)O Z317024998 [0,1,0,0,0,0|0,0,0]=1 118 B14R1.75 COC1=CC(=CC=C1)CC(O)C(=O)O Z1255373702 [0,1,0,0,0,0|1,0,0]=2 119 B14R1.135 CC1=CC=CC(=C1)CN(C)C(=O)CCl Z381548370 [0,1,0,0,0,0|3,0,0]=4 120 B14R1.135 COC(=O)C(C)OC1=CC(=CC=C1)C Z54178710 [0,1,0,0,0,0|2,0,0]=3 121 B14R1.135 COC(=O)C(F)CC1=CC(=CC=C1)N Z4544308432 [0,1,0,0,0,0|2,0,0]=3 122 B14R1.135 COC(=O)C(N)CC1=CC(=CC=C1)Br Z3333650468 [0,1,0,0,0,0|1,0,0]=2 123 B14R1.135 COC(=O)C(N)CC1=CC(=CC=C1)Cl Z4790981271 [0,1,0,0,0,0|1,0,0]=2 124 B14R1.135 COC(=O)C(N)CC1=NC(=CC=C1)C Z4911926286 [0,1,0,0,0,0|1,0,0]=2 125 B14R1.135 COC(=O)C(N)CC1=NC(=CC=N1)O Z3484625100 [0,1,0,0,0,0|3,0,0]=4 126 B14R1.153 CC(OC1=C(C(=CC=C1)Cl)Cl)C(=O)O Z65586699 [0,1,0,0,0,0|3,0,0]=4 127 B14R1.153 CC1=CC=CC(=C1C)NC(C)C(=O)N Z45202427 [0,1,0,0,0,0|3,0,0]=4 128 B14R1.153 CC1=CC=CC(=C1C)OC(C)C(=O)N Z24763131 [0,1,0,0,0,0|3,0,0]=4 129 B14R1.153 CC1=CC=CC(=C1C)OC(C)C(=O)O Z228583448 [0,1,0,0,0,0|2,0,0]=3 130 B14R1.542 CC1=CC(=CC=C1)CC(CN)C(=O)O Z1473553886 [0,1,0,0,0,0|0,0,0]=1 131 B14R1.542 CCC(CC1=CC(=CC=C1)Br)C(=O)O Z513660416 [0,1,0,0,0,0|2,0,0]=3 132 B14R1.542 CCC(OC1=CC(=CC=C1)C)C(=O)O Z111782230 [0,1,0,0,0,0|2,0,0]=3 133 B14R1.542 NCC(CC1=CC(=CC=C1)Cl)C(=O)O Z1222278653 [0,1,0,0,0,0|1,0,0]=2 134 B14R1.542 NCC(CC1=CC(=CC=C1)O)C(=O)O Z2690874822 [0,1,0,0,0,0|1,0,0]=2 135 B14R1.686 CC(CC1=CC(=C(C=C1)F)Br)C(=O)O Z756390562 [0,1,0,0,0,0|2,0,0]=3 136 B14R1.686 CC(CC1=CC(=C(C=C1)F)F)C(=O)O Z1341747667 [0,1,0,0,0,0|2,0,0]=3 137 B14R1.686 CC(CC1=CC(=C(C=C1)O)O)C(=O)O Z1198162859 [0,1,0,0,0,0|2,0,0]=3 138 B14R1.686 CC(OC1=CC(=C(C=C1)Cl)Cl)C(=O)O Z65558816 [0,1,0,0,0,0|3,0,0]=4 139 B14R1.686 CC(OC1=CC(=C(C=C1)F)F)C(=O)O Z228583520 [0,1,0,0,0,0|3,0,0]=4 140 B14R1.686 CC(SC1=CC(=C(C=C1)F)F)C(=O)O Z92657116 [0,1,0,0,0,0|3,0,0]=4 141 B14R1.686 CC1=C(C=C(C=C1)CC(N)C(=O)O)C Z2238618571 [0,1,0,0,0,0|0,0,0]=1 142 B14R1.686 CC1=C(C=C(C=C1)CC(S)C(=O)O)C Z57982188 [0,1,0,0,0,0|1,0,0]=2 143 B14R1.686 CC1=C(C=C(C=C1)NC(=O)C(=O)O)C Z57980332 [0,1,0,0,0,0|2,0,1]=4 144 B14R1.686 CC1=C(C=CC(=C1)OC(C)C(=O)N)Cl Z18758208 [0,1,0,0,0,0|3,0,0]=4 145 B14R1.686 CC1=C(C=CC(=C1)OC(C)C(=O)O)Cl Z149187304 [0,1,0,0,0,0|2,0,0]=3 146 B14R1.686 NC(CC1=CC(=C(C=C1)Cl)Cl)C(=O)O Z317025744 [0,1,0,0,0,0|1,0,0]=2 147 B14R1.686 NC(CC1=CC(=C(C=C1)F)Cl)C(=O)O Z5185412106 [0,1,0,0,0,0|1,0,0]=2 148 B14R1.686 N[C@@H](CC1=CC(=C(C=C1)O)Br)C(=O)O Z1269188313 [0,1,0,0,0,0|1,0,0]=2 149 B14R1.686 N[C@@H](CC1=CC(=C(C=C1)O)I)C(=O)O Z1269198907 [0,1,0,0,0,0|1,0,0]=2 150 B14R1.686 N[C@@H](CC1=CC(=C(C=C1)O)O)C(=O)O Z756440064 [0,1,0,0,0,0|1,0,0]=2 151 B14R1.686 N[C@H](CC1=CC(=C(C=C1)F)Cl)C(=O)O Z5212272143 [0,1,0,0,0,0|1,0,0]=2 152 B14R1.686 N[C@H](CC1=CC(=C(C=C1)O)O)C(=O)O Z1255419382 [0,1,0,0,0,0|1,0,0]=2 153 B14R1.686 O=C(O)C(=O)CC1=CC(=C(C=C1)Cl)Cl Z234896633 [0,1,0,0,0,0|2,0,1]=4 154 B14R1.4257 CC(OC1=CC(=CC(=C1)Cl)Cl)C(=O)O Z441805172 [0,1,0,0,0,0|3,0,0]=4 155 B14R1.4257 CC1=CC(=CC(=C1)CC(N)C(=O)O)C Z1259273092 [0,1,0,0,0,0|0,0,0]=1 156 B14R1.4257 CC1=CC(=CC(=C1)OC(C)C(=O)N)C Z18469721 [0,1,0,0,0,0|3,0,0]=4 157 B14R1.4257 NC(CC1=CC(=CC(=C1)Cl)Cl)C(=O)O Z1416200972 [0,1,0,0,0,0|1,0,0]=2 158 B14R1.4257 NC1=CC(=CC(=C1)CC(N)C(=O)O)N Z3282761044 [0,1,0,0,0,0|1,0,0]=2 159 B14R1.4257 O=C(O)C(O)CC1=CC(=CC(=C1)Cl)Cl Z1813095346 [0,1,0,0,0,0|2,0,0]=3 160 B14R1.4404 CC(C)(CC1=CC(=CC=C1)Cl)C(=O)O Z995179628 [0,1,0,0,0,0|2,0,0]=3 161 B14R1.4404 CC(C)(OC1=CC(=CC=C1)Br)C(=O)O Z803506418 [0,1,0,0,0,0|3,0,0]=4 162 B14R1.4404 CC(C)(OC1=CC(=CC=C1)Cl)C(=O)O Z274535144 [0,1,0,0,0,0|3,0,0]=4 163 B14R1.4474 CC(SC1=C(C=CC(=C1)Cl)Cl)C(=O)O Z56279684 [0,1,0,0,0,0|3,0,0]=4 164 B14R1.4474 CC1=CC(=C(C=C1)C)SC(C)C(=O)N Z25045983 [0,1,0,0,0,0|3,0,0]=4 165 B14R1.4474 CC1=CC(=C(C=C1)Cl)OC(C)C(=O)O Z228583432 [0,1,0,0,0,0|2,0,0]=3 166 B14R1.4474 NC(CC1=C(C=CC(=C1)Cl)Cl)C(=O)O Z5010675411 [0,1,0,0,0,0|1,0,0]=2 167 B14R2.4473 CC1=CC=CC(=C1)C2NC(=O)C2C Z2065766482 [0,0,0,1,0,0|2,0,0]=3 168 B14R2.4476 CC1=CC(=CC=C1)[C@@H]2C[C@H]2C(=O)O Z2306910179 [0,0,0,1,0,0|1,0,0]=2 169 B14R2.4476 O=C(O)C1CC1C2=CC(=CC=C2)O Z1216651566 [0,0,0,1,0,0|2,0,0]=3 170 B14R2.4476 O=C(O)[C@@H]1C[C@H]1C2=CC(=CC=C2)Br Z2251736248 [0,0,0,1,0,0|2,0,0]=3 171 B14R2.4476 O=C(O)[C@@H]1C[C@H]1C2=CC(=CC=C2)Cl Z2250620212 [0,0,0,1,0,0|2,0,0]=3 172 B14R2.4476 O=C(O)[C@@H]1C[C@H]1C2=CC(=CC=C2)F Z2309887928 [0,0,0,1,0,0|2,0,0]=3 173 B14R2.4476 O=C(O)[C@H]1C[C@@H]1C2=CC(=CC=C2)O Z1262554401 [0,0,0,1,0,0|2,0,0]=3 174 B14R2.4529 CC1=CC2=C(C=C1)C=C(N2)C(=O)O Z119989628 [0,0,0,1,0,0|2,0,1]=4 175 B14R2.4529 CC1=CC2=C(C=C1)CC(S2)C(=O)O Z223677100 [0,0,0,1,0,0|2,0,0]=3 176 B14R2.4529 CC1=CC2=C(C=C1)NC(=C2)C(=O)N Z300502500 [0,0,0,1,0,0|1,0,2]=4 177 B14R2.4529 CC1=CC2=C(C=C1)NC(=C2)C(=O)O Z235352033 [0,0,0,1,0,0|0,0,2]=3 178 B14R2.4529 CC1=CC2=C(C=C1)OC(=C2)C(=O)O Z274568060 [0,0,0,1,0,0|1,0,2]=4 179 B14R2.4529 CC1=CC2=C(C=C1)SC(=C2)C(=O)O Z1201623026 [0,0,0,1,0,0|1,0,2]=4 180 B14R2.4529 NC(=O)C1CC2=C(O1)C=CC(=C2)N Z4762517556 [0,0,0,1,0,0|3,0,0]=4 181 B14R2.4529 NC1=CC2=C(C=C1)NC(=C2)C(=O)O Z1198179704 [0,0,0,1,0,0|1,0,2]=4 182 B14R2.4529 NC1=CC2=C(C=C1)NC(C2)C(=O)O Z3325140518 [0,0,0,1,0,0|1,0,0]=2 183 B14R2.4529 O=C(O)C1=CC2=C(N1)C=CC(=C2)Br Z285234024 [0,0,0,1,0,0|1,0,2]=4 184 B14R2.4529 O=C(O)C1=CC2=C(N1)C=CC(=C2)Cl Z235363065 [0,0,0,1,0,0|1,0,2]=4 185 B14R2.4529 O=C(O)C1=CC2=C(N1)C=CC(=C2)F Z235348085 [0,0,0,1,0,0|1,0,2]=4 186 B14R2.4529 O=C(O)C1=CC2=C(N1)C=CC(=C2)I Z1269156688 [0,0,0,1,0,0|1,0,2]=4 187 B14R2.4529 O=C(O)C1=CC2=C(N1)C=CC(=C2)O Z2894427530 [0,0,0,1,0,0|1,0,2]=4 188 B14R2.4529 O=C(O)C1CC2=C(C1)C=C(C=C2)F Z1262528526 [0,0,0,1,0,0|2,0,0]=3 189 B14R2.4529 O=C(O)C1CC2=C(C1)N=CC(=C2)Br Z3301448719 [0,0,0,1,0,0|3,0,0]=4 190 B14R2.4529 O=C(O)C1CC2=C(O1)C=C(C=C2)Br Z2751941707 [0,0,0,1,0,0|3,0,0]=4 191 B14R2.4529 O=C(O)C1CC2=C(O1)C=CC(=C2)Br Z1269223909 [0,0,0,1,0,0|2,0,0]=3 192 B14R2.4529 O=C(O)C1CC2=C(O1)C=CC(=C2)Cl Z104341198 [0,0,0,1,0,0|2,0,0]=3 193 B14R2.7969 CC1=C2C=C(NC2=CC=C1)C(=O)O Z119989626 [0,0,0,1,0,0|2,0,1]=4 194 B14R2.7969 CC1=C2C=C(OC2=CC=C1)C(=O)O Z1262514439 [0,0,0,1,0,0|2,0,1]=4 195 B14R2.7969 CC1=C2CC(NC2=CC=C1)C(=O)O Z2695869272 [0,0,0,1,0,0|2,0,0]=3 196 B14R2.7969 CC1=C2CC(OC2=CC=C1)C(=O)O Z1262544184 [0,0,0,1,0,0|2,0,0]=3 197 B14R2.7969 CC1=C2NC(=CC2=CC=C1)C(=O)O Z285234008 [0,0,0,1,0,0|0,0,2]=3 198 B14R2.7969 CC1=C2OC(=CC2=CC=C1)C(=O)O Z406682014 [0,0,0,1,0,0|1,0,2]=4 199 B14R2.7969 CC1=C2OC(CC2=CC=C1)C(=O)O Z1262521699 [0,0,0,1,0,0|1,0,0]=2 200 B14R2.7969 CC1=C2SC(=CC2=CC=C1)C(=O)O Z1504672143 [0,0,0,1,0,0|1,0,2]=4 201 B14R2.7969 O=C(O)C1=CC2=C(N1)C(=CC=C2)Br Z431558930 [0,0,0,1,0,0|1,0,2]=4 202 B14R2.7969 O=C(O)C1=CC2=C(N1)C(=CC=C2)F Z285234022 [0,0,0,1,0,0|1,0,2]=4 203 B14R2.7969 O=C(O)C1=CC2=C(N1)C(=CC=C2)O Z1201622528 [0,0,0,1,0,0|1,0,2]=4 204 B14R2.7969 O=C(O)C1CC2=C(C=CC=C2O1)F Z1813140041 [0,0,0,1,0,0|3,0,0]=4 205 B14R2.7969 O=C(O)C1CC2=C(C=CC=C2S1)F Z228589552 [0,0,0,1,0,0|3,0,0]=4 206 B14R2.7969 O=C(O)C1CC2=C(O1)C(=CC=C2)F Z1259128059 [0,0,0,1,0,0|2,0,0]=3 207 B14R2.8239 CC1=CC2=C(C=C1)NC(=O)C(O2)C Z1201628422 [0,0,0,1,0,0|3,0,0]=4 208 B14R2.8239 NC1CC2=C(N=CC(=C2)Br)NC1=O Z2895166305 [0,0,0,1,0,0|3,0,0]=4 209 B14R2.9059 CC1=CC(=CC=C1)CC(N)C2CC2 Z1270207986 [0,0,0,1,0,0|2,0,1]=4 210 B12R1.104 CC(CC1=CN(N=C1)C)C(=O)O Z959330822 [0,0,0,0,1,0|3,0,0]=4 211 B12R1.104 CC1=CN(N=C1)CC(N)C(=O)O Z1737940744 [0,0,0,0,1,0|2,0,0]=3 212 B12R1.104 CC1=NN(C=C1)CC(C)C(=O)O Z1198160947 [0,0,0,0,1,0|3,0,0]=4 213 B12R1.104 CN1C=C(C=N1)CC(N)C(=O)O Z1259335776 [0,0,0,0,1,0|2,0,0]=3 214 B12R1.104 CN1C=C(N=N1)CC(N)C(=O)O Z3877612552 [0,0,0,0,1,0|3,0,0]=4 215 B12R1.104 CN1C=NC(=C1)CC(O)C(=O)O Z3270199333 [0,0,0,0,1,0|3,0,0]=4 216 B12R1.104 CN1C=NC(=C1)C[C@H](N)C(=O)O Z3005524545 [0,0,0,0,1,0|2,0,0]=3 217 B12R1.104 NC(CC1=CSC(=C1)Cl)C(=O)O Z3464487109 [0,0,0,0,1,0|2,0,0]=3 218 B12R1.104 NC(CN1C=C(C=N1)Br)C(=O)O Z1762658278 [0,0,0,0,1,0|3,0,0]=4 219 B12R1.104 NC(CN1C=C(C=N1)Cl)C(=O)O Z1649677786 [0,0,0,0,1,0|3,0,0]=4 220 B12R1.104 NC1=NC(=CS1)CC(N)C(=O)O Z3482741151 [0,0,0,0,1,0|3,0,0]=4 221 B12R1.104 N[C@@H](CC1=CNC(=N1)S)C(=O)O Z1198148773 [0,0,0,0,1,0|3,0,0]=4 222 B12R1.104 N[C@H](CC1=CNC(=N1)S)C(=O)O Z1198234492 [0,0,0,0,1,0|3,0,0]=4 223 B12R1.145 CC1=C(NC=N1)CC(O)C(=O)O Z4137163794 [0,0,0,0,1,0|3,0,0]=4 224 B12R1.145 CC1=NC=CN1CC(C)C(=O)O Z57912371 [0,0,0,0,1,0|3,0,0]=4 225 B12R1.145 CC1=NON=C1CC(N)C(=O)O Z823287428 [0,0,0,0,1,0|3,0,0]=4 226 B12R1.145 CN1N=CC=C1CC(N)C(=O)O Z3681679050 [0,0,0,0,1,0|2,0,0]=3 227 B12R1.145 CN1N=CN=C1CC(N)C(=O)O Z3824528863 [0,0,0,0,1,0|3,0,0]=4 228 B12R1.145 NC(CC1=C(SC=C1)Cl)C(=O)O Z3337480266 [0,0,0,0,1,0|2,0,0]=3 229 B12R1.225 CC(=O)C(O)C1=CC(=CC=C1)Cl Z1255467340 [0,0,0,0,1,0|3,0,0]=4 230 B12R1.225 CC(C(=O)O)C1=CC(=CC=C1)F Z792377330 [0,0,0,0,1,0|2,0,0]=3 231 B12R1.225 CC1=CC(=CC=C1)C(=O)C(=O)O Z1255379743 [0,0,0,0,1,0|1,0,1]=3 232 B12R1.225 CC1=CC(=CC=C1)C(N)C(=O)O Z317024596 [0,0,0,0,1,0|0,0,0]=1 233 B12R1.225 CC1=CC(=CC=C1)C(O)C(=O)O Z788000614 [0,0,0,0,1,0|1,0,0]=2 234 B12R1.225 CC1=CC=CC(=C1)C(C)C(=O)O Z802854000 [0,0,0,0,1,0|1,0,0]=2 235 B12R1.225 NC(=O)C(N)C1=CC(=CC=C1)Br Z477338262 [0,0,0,0,1,0|2,0,0]=3 236 B12R1.225 NC(C(=O)O)C1=CC(=CC=C1)Br Z317024672 [0,0,0,0,1,0|1,0,0]=2 237 B12R1.225 NC(C(=O)O)C1=CC(=CC=C1)Cl Z317024654 [0,0,0,0,1,0|1,0,0]=2 238 B12R1.225 NC(C(=O)O)C1=CC(=CC=C1)F Z317024592 [0,0,0,0,1,0|1,0,0]=2 239 B12R1.225 NC(C(=O)O)C1=CC(=CC=C1)I Z3477438782 [0,0,0,0,1,0|1,0,0]=2 240 B12R1.225 NC(C(=O)O)C1=CC(=CC=C1)O Z1532541074 [0,0,0,0,1,0|1,0,0]=2 241 B12R1.225 NC1=CC(=CC=C1)C(O)C(=O)O Z1262512603 [0,0,0,0,1,0|2,0,0]=3 242 B12R1.225 O=C(O)C(O)C1=CC(=CC=C1)Br Z788000730 [0,0,0,0,1,0|2,0,0]=3 243 B12R1.225 O=C(O)C(O)C1=CC(=CC=C1)Cl Z788000712 [0,0,0,0,1,0|2,0,0]=3 244 B12R1.225 O=C(O)C(O)C1=CC(=CC=C1)F Z788000610 [0,0,0,0,1,0|2,0,0]=3 245 B12R1.225 O=C(O)C(O)C1=CC(=CC=C1)I Z1269151011 [0,0,0,0,1,0|2,0,0]=3 246 B14R1.5956 C=C(COC1=CC(=CC=C1)Br)C(=O)O Z1197868056 [0,0,0,0,0,1|2,0,1]=4 247 B14R1.5956 C=C(COC1=CC(=CC=C1)Cl)C(=O)O Z1197868060 [0,0,0,0,0,1|2,0,1]=4 248 B14R1.5956 CC(CCC1=CC(=CC=C1)F)C(=O)O Z1259341391 [0,0,0,0,0,1|2,0,0]=3 249 B14R1.5956 CC(NCC1=CC(=CC=C1)F)C(=O)O Z426041634 [0,0,0,0,0,1|2,0,0]=3 250 B14R1.5956 CC(SCC1=CC(=CC=C1)Cl)C(=O)N Z742590214 [0,0,0,0,0,1|3,0,0]=4 251 B14R1.5978 CC(=O)NC(C)CC1=CC(=CC=C1)Br Z844206202 [0,0,0,0,0,1|3,0,0]=4 252 B14R1.5978 CC(CC(=O)O)CC1=CC(=CC=C1)F Z1295543728 [0,0,0,0,0,1|2,0,0]=3 253 B14R1.5978 CN(CC(=O)O)CC1=CC(=CC=C1)Cl Z1459897420 [0,0,0,0,0,1|3,0,0]=4 254 B11R1.40 C#CC(N)CC1=CC=CC=C1 Z4167757719 [2,0,0,0,0,0|1,0,1]=4 255 B11R1.40 CC(C=O)CC1=CC=CC=C1 Z1198150055 [2,0,0,0,0,0|1,0,0]=3 256 B11R1.40 CCC(N)CC1=CC=CC=C1 Z431980016 [2,0,0,0,0,0|1,0,1]=4 257 B11R1.40 NC(CO)CC1=CC=CC=C1 Z234898263 [2,0,0,0,0,0|0,0,1]=3 258 B11R1.40 NC(CO)CC1=CC=NC=C1 Z1824511267 [2,0,0,0,0,0|1,0,1]=4 259 B11R1.40 NCC(N)CC1=CC=CC=C1 Z425861056 [2,0,0,0,0,0|1,0,1]=4 260 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 Z1157651018 [2,0,0,0,0,0|0,0,1]=3 261 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 Z1741982891 [2,0,0,0,0,0|0,0,1]=3 262 B11R1.91 CC(=O)CSC1=CC=CC=C1 Z19751394 [2,0,0,0,0,0|2,0,0]=4 263 B11R1.91 CC(=O)NCC1=CC=CC=C1 Z27749489 [2,0,0,0,0,0|2,0,0]=4 264 B11R1.91 CC(=O)OCC1=CC=CC=C1 Z19628364 [2,0,0,0,0,0|2,0,0]=4 265 B11R1.91 N=C(N)CCC1=CC=CC=C1 Z2092176896 [2,0,0,0,0,0|2,0,0]=4 266 B11R1.91 NC(=O)CCC1=CC=CC=C1 Z33546514 [2,0,0,0,0,0|1,0,0]=3 267 B11R1.91 NC(=O)CCC1=CC=NC=C1 Z1095213378 [2,0,0,0,0,0|2,0,0]=4 268 B11R1.91 NC(=O)CNC1=CC=CC=C1 Z104583968 [2,0,0,0,0,0|2,0,0]=4 269 B11R1.91 NC(=O)COC1=CC=CC=C1 Z19735702 [2,0,0,0,0,0|2,0,0]=4 270 B11R1.91 NC(=O)CSC1=CC=CC=C1 Z19751390 [2,0,0,0,0,0|2,0,0]=4 271 B11R1.91 NC(=O)NCC1=CC=CC=C1 Z104476310 [2,0,0,0,0,0|2,0,0]=4 272 B11R1.91 NC(=O)OCC1=CC=CC=C1 Z33547079 [2,0,0,0,0,0|2,0,0]=4 273 B11R1.91 NC(=S)CCC1=CC=CC=C1 Z56824950 [2,0,0,0,0,0|1,1,0]=4 274 B11R1.91 O=C(O)/C=C/C1=CC=CC=C1 Z104474406 [2,0,0,0,0,0|0,0,2]=4 275 B11R1.91 O=C(O)C#CC1=CC=CC=C1 Z271128592 [2,0,0,0,0,0|0,0,2]=4 276 B11R1.91 O=C(O)CCC1=CC=CC=C1 Z57127332 [2,0,0,0,0,0|0,0,0]=2 277 B11R1.91 O=C(O)CCC1=CC=NC=C1 Z317037982 [2,0,0,0,0,0|1,0,0]=3 278 B11R1.91 O=C(O)CCC1=CN=CC=C1 Z89264892 [2,0,0,0,0,0|1,0,0]=3 279 B11R1.91 O=C(O)CCC1=CN=CN=C1 Z1198279878 [2,0,0,0,0,0|2,0,0]=4 280 B11R1.91 O=C(O)CCC1=NC=CC=C1 Z317037998 [2,0,0,0,0,0|1,0,0]=3 281 B11R1.91 O=C(O)CCC1=NC=CC=N1 Z1255372831 [2,0,0,0,0,0|2,0,0]=4 282 B11R1.91 O=C(O)CCC1=NC=CN=C1 Z1198184629 [2,0,0,0,0,0|2,0,0]=4 283 B11R1.91 O=C(O)CCC1=NC=NC=C1 Z1184882132 [2,0,0,0,0,0|2,0,0]=4 284 B11R1.91 O=C(O)CNC1=CC=CC=C1 Z104496210 [2,0,0,0,0,0|1,0,0]=3 285 B11R1.91 O=C(O)CNC1=CC=NC=C1 Z2350906909 [2,0,0,0,0,0|2,0,0]=4 286 B11R1.91 O=C(O)CNC1=CN=CC=C1 Z3058782338 [2,0,0,0,0,0|2,0,0]=4 287 B11R1.91 O=C(O)CNC1=NC=CC=C1 Z2470036492 [2,0,0,0,0,0|2,0,0]=4 288 B11R1.91 O=C(O)COC1=CC=CC=C1 Z57182011 [2,0,0,0,0,0|1,0,0]=3 289 B11R1.91 O=C(O)COC1=CN=CC=C1 Z1171978878 [2,0,0,0,0,0|2,0,0]=4 290 B11R1.91 O=C(O)CSC1=CC=CC=C1 Z104484982 [2,0,0,0,0,0|1,0,0]=3 291 B11R1.91 O=C(O)CSC1=CC=NC=C1 Z104479390 [2,0,0,0,0,0|2,0,0]=4 292 B11R1.91 O=C(O)CSC1=NC=CC=C1 Z31205663 [2,0,0,0,0,0|2,0,0]=4 293 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 Z995234780 [2,0,0,0,0,0|1,0,1]=4 294 B11R1.91 OB(O)CCC1=CC=CC=C1 Z1147227790 [2,0,0,0,0,0|1,0,1]=4 295 B11R1.24 C=CCCC1=CC=CC(=C1)Br Z1269162615 [2,0,0,0,0,0|2,0,0]=4 296 B11R1.24 CC1=CC(=CC=C1)CCCN Z4993130622 [2,0,0,0,0,0|1,0,1]=4 297 B11R1.24 CC1=CC(=CC=C1)CCCO Z979436642 [2,0,0,0,0,0|0,0,1]=3 298 B11R1.24 CC1=CC(=CN=C1)CCC=O Z1492427371 [2,0,0,0,0,0|1,0,0]=3 299 B11R1.24 CC1=CC(=CN=C1)CCCO Z1216820424 [2,0,0,0,0,0|1,0,1]=4 300 B11R1.24 CC1=NC(=CC=C1)CCCO Z104479712 [2,0,0,0,0,0|1,0,1]=4 301 B11R1.24 NC1=CC(=CC=C1)CCCO Z1198265859 [2,0,0,0,0,0|1,0,1]=4 302 B11R1.24 O=CCCC1=CC=CC(=C1)Cl Z993017744 [2,0,0,0,0,0|1,0,0]=3 303 B11R1.24 O=CCCC1=CC=CC(=C1)F Z993017622 [2,0,0,0,0,0|1,0,0]=3 304 B11R1.24 O=CCCC1=CN=CC(=C1)F Z1233207916 [2,0,0,0,0,0|2,0,0]=4 305 B11R1.157 CC(N)CC1=CC(=CC=C1)Br Z1259341031 [2,0,0,0,0,0|1,0,1]=4 306 B11R1.157 CC(N)CC1=CC(=CC=C1)Cl Z425389644 [2,0,0,0,0,0|1,0,1]=4 307 B11R1.157 CC(N)CC1=CC(=CC=C1)O Z285144026 [2,0,0,0,0,0|1,0,1]=4 308 B11R1.157 CC(O)CC1=CC(=CC=C1)F Z513751286 [2,0,0,0,0,0|2,0,0]=4 309 B11R1.157 NC(=O)CC1=CC(=CC=C1)Cl Z992289380 [2,0,0,0,0,0|1,0,1]=4 310 B11R1.157 NC(=O)CC1=CC(=CC=C1)I Z1419030795 [2,0,0,0,0,0|1,0,1]=4 311 B11R1.157 NC(=O)CC1=CC(=CC=C1)O Z816010252 [2,0,0,0,0,0|1,0,1]=4 312 B13R1.133 CC(CC1=CC=C(C=C1)Br)C(=O)N Z1551999220 [1,1,0,0,0,0|2,0,0]=4 313 B13R1.133 CC(CC1=CC=C(C=C1)Br)C(=O)O Z513659390 [1,1,0,0,0,0|1,0,0]=3 314 B13R1.133 CC(CC1=CC=C(C=C1)Cl)C(=O)O Z513659166 [1,1,0,0,0,0|1,0,0]=3 315 B13R1.133 CC(CC1=CC=C(C=C1)F)C(=O)O Z513658938 [1,1,0,0,0,0|1,0,0]=3 316 B13R1.133 CC(CC1=CC=C(C=C1)N)C(=O)O Z1262515083 [1,1,0,0,0,0|1,0,0]=3 317 B13R1.133 CC(OC1=CC=C(C=C1)Br)C(=O)O Z56347385 [1,1,0,0,0,0|2,0,0]=4 318 B13R1.133 CC(OC1=CC=C(C=C1)Cl)C(=O)O Z56922097 [1,1,0,0,0,0|2,0,0]=4 319 B13R1.133 CC(OC1=CC=C(C=C1)F)C(=O)O Z90662162 [1,1,0,0,0,0|2,0,0]=4 320 B13R1.133 CC(SC1=CC=C(C=C1)Br)C(=O)O Z56278798 [1,1,0,0,0,0|2,0,0]=4 321 B13R1.133 CC(SC1=CC=C(C=C1)Cl)C(=O)O Z55179957 [1,1,0,0,0,0|2,0,0]=4 322 B13R1.133 CC(SC1=CC=C(C=C1)F)C(=O)O Z56279369 [1,1,0,0,0,0|2,0,0]=4 323 B13R1.133 CC1=CC=C(C=C1)CC(=O)C(=O)O Z271004544 [1,1,0,0,0,0|1,0,1]=4 324 B13R1.133 CC1=CC=C(C=C1)CC(C)C(=O)O Z513658700 [1,1,0,0,0,0|1,0,0]=3 325 B13R1.133 CC1=CC=C(C=C1)OC(C)C(=O)O Z56915889 [1,1,0,0,0,0|2,0,0]=4 326 B13R1.133 CC1=CC=C(C=C1)SC(C)C(=O)O Z56278800 [1,1,0,0,0,0|2,0,0]=4 327 B13R1.133 C[C@H](OC1=CC=C(C=C1)Cl)C(=O)O Z1508916088 [1,1,0,0,0,0|2,0,0]=4 328 B13R1.133 NC(=O)C(N)CC1=CC=C(C=C1)Cl Z2065464318 [1,1,0,0,0,0|1,0,0]=3 329 B13R1.133 NC(=O)[C@H](N)CC1=CC=C(C=C1)O Z3211890270 [1,1,0,0,0,0|1,0,0]=3 330 B13R1.133 NC(CC1=CC=C(C=C1)Cl)C(=O)O Z317024982 [1,1,0,0,0,0|0,0,0]=2 331 B13R1.133 NC(CC1=CC=C(C=C1)F)C(=O)O Z57969728 [1,1,0,0,0,0|0,0,0]=2 332 B13R1.133 NC(CC1=CC=C(C=C1)I)C(=O)O Z1263631851 [1,1,0,0,0,0|0,0,0]=2 333 B13R1.133 NC(CC1=CC=C(C=C1)O)C(=O)O Z57127380 [1,1,0,0,0,0|0,0,0]=2 334 B13R1.133 NC(CC1=CN=C(C=C1)O)C(=O)O Z3543676837 [1,1,0,0,0,0|1,0,0]=3 335 B13R1.133 NC(CC1=NC=C(C=C1)Cl)C(=O)O Z3499018105 [1,1,0,0,0,0|1,0,0]=3 336 B13R1.133 N[C@@H](CC1=CC=C(C=C1)F)C(=O)O Z995228058 [1,1,0,0,0,0|0,0,0]=2 337 B13R1.133 N[C@@H](CC1=CC=C(C=C1)I)C(=O)O Z1269142887 [1,1,0,0,0,0|0,0,0]=2 338 B13R1.133 N[C@@H](CC1=CC=C(C=C1)O)C(=O)O Z756440046 [1,1,0,0,0,0|0,0,0]=2 339 B13R1.133 N[C@H](CC1=CC=C(C=C1)Cl)C(=O)O Z995228428 [1,1,0,0,0,0|0,0,0]=2 340 B13R1.133 N[C@H](CC1=CC=C(C=C1)F)C(=O)O Z995228438 [1,1,0,0,0,0|0,0,0]=2 341 B13R1.133 N[C@H](CC1=CC=C(C=C1)I)C(=O)O Z1269112635 [1,1,0,0,0,0|0,0,0]=2 342 B13R1.133 N[C@H](CC1=CC=C(C=C1)O)C(=O)O Z969739284 [1,1,0,0,0,0|0,0,0]=2 343 B13R1.133 O=C(O)C(Br)CC1=CC=C(C=C1)F Z57388220 [1,1,0,0,0,0|1,0,0]=3 344 B13R1.133 O=C(O)C(O)CC1=CC=C(C=C1)F Z1255373692 [1,1,0,0,0,0|1,0,0]=3 345 B13R1.135 CNC(=O)C(N)CC1=CC=CC=C1 Z1449756300 [1,1,0,0,0,0|1,0,0]=3 346 B13R1.135 COC(=O)C(N)CC1=CC=CC=C1 Z56867313 [1,1,0,0,0,0|0,0,0]=2 347 B13R1.135 COC(=O)C(N)CC1=CC=NC=C1 Z2197092950 [1,1,0,0,0,0|1,0,0]=3 348 B13R1.135 COC(=O)C(N)CC1=NC=CC=N1 Z5222614167 [1,1,0,0,0,0|2,0,0]=4 349 B13R1.152 CC(C(=O)O)C(N)C1=CC=CC=C1 Z1272096620 [1,1,0,0,0,0|1,0,0]=3 350 B13R1.152 CC(C1=CC=CC=C1)C(N)C(=O)N Z2182115487 [1,1,0,0,0,0|1,0,0]=3 351 B13R1.152 CC(C1=CC=CC=C1)C(N)C(=O)O Z802846100 [1,1,0,0,0,0|0,0,0]=2 352 B13R1.152 CC(C1=CC=CC=C1)C(O)C(=O)O Z802846688 [1,1,0,0,0,0|1,0,0]=3 353 B13R1.152 NC(C(=O)O)C(O)C1=CC=CC=C1 Z1649893051 [1,1,0,0,0,0|0,0,0]=2 354 B13R1.202 CC(CC1=C(C=CC=C1)Cl)C(=O)O Z513661398 [1,1,0,0,0,0|1,0,0]=3 355 B13R1.202 CC(CC1=C(C=CC=C1)F)C(=O)O Z513661176 [1,1,0,0,0,0|1,0,0]=3 356 B13R1.202 CC(OC1=C(C=CC=C1)Br)C(=O)O Z228583522 [1,1,0,0,0,0|2,0,0]=4 357 B13R1.202 CC(OC1=C(C=CC=C1)Cl)C(=O)O Z65532924 [1,1,0,0,0,0|2,0,0]=4 358 B13R1.202 CC(OC1=C(C=CC=C1)F)C(=O)O Z65532537 [1,1,0,0,0,0|2,0,0]=4 359 B13R1.202 CC(SC1=C(C=CC=C1)Cl)C(=O)O Z56278782 [1,1,0,0,0,0|2,0,0]=4 360 B13R1.202 CC1=C(C=CC=C1)CC(C)C(=O)O Z513660952 [1,1,0,0,0,0|1,0,0]=3 361 B13R1.202 NC(=O)C(N)CC1=C(C=CC=C1)Cl Z1258519447 [1,1,0,0,0,0|1,0,0]=3 362 B13R1.202 NC(CC1=C(C=CC=C1)Br)C(=O)O Z2217033050 [1,1,0,0,0,0|0,0,0]=2 363 B13R1.202 NC(CC1=C(C=CC=C1)O)C(=O)O Z1065645436 [1,1,0,0,0,0|0,0,0]=2 364 B13R1.202 NC(CC1=C(N=CC=C1)O)C(=O)O Z3492296846 [1,1,0,0,0,0|1,0,0]=3 365 B13R1.202 NC(CC1=CN=CNC1=O)C(=O)O Z1510031321 [1,1,0,0,0,0|2,0,0]=4 366 B13R1.202 O=C(O)C(O)CC1=C(C=CC=C1)Cl Z1269030424 [1,1,0,0,0,0|1,0,0]=3 367 B13R1.418 CCC(CC1=CC=CC=C1)C(=O)O Z513624620 [1,1,0,0,0,0|1,0,0]=3 368 B13R1.418 CCC(NC1=CC=CC=C1)C(=O)O Z274534828 [1,1,0,0,0,0|2,0,0]=4 369 B13R1.418 CCC(OC1=CC=CC=C1)C(=O)O Z104484470 [1,1,0,0,0,0|2,0,0]=4 370 B13R1.418 CCC(SC1=CC=CC=C1)C(=O)O Z149157470 [1,1,0,0,0,0|2,0,0]=4 371 B13R1.418 CNC(CC1=CC=CC=C1)C(=O)O Z446011606 [1,1,0,0,0,0|0,0,0]=2 372 B13R1.418 COC(CC1=CC=CC=C1)C(=O)N Z2233706113 [1,1,0,0,0,0|2,0,0]=4 373 B13R1.418 COC(CC1=CC=CC=C1)C(=O)O Z1258977185 [1,1,0,0,0,0|1,0,0]=3 374 B13R1.418 NCC(CC1=CC=CC=C1)C(=O)O Z1258578382 [1,1,0,0,0,0|0,0,0]=2 375 B13R1.418 NCC(CC1=CC=NC=C1)C(=O)O Z2382197013 [1,1,0,0,0,0|1,0,0]=3 376 B13R1.418 NCC(CC1=CN=CC=C1)C(=O)O Z1601464443 [1,1,0,0,0,0|1,0,0]=3 377 B13R1.418 NCC(CC1=NC=CC=C1)C(=O)O Z1259273372 [1,1,0,0,0,0|1,0,0]=3 378 B13R1.1073 CC(C)(CC1=CC=CC=C1)C(=O)O Z995179618 [1,1,0,0,0,0|1,0,0]=3 379 B13R1.1073 CC(C)(NC1=CC=CC=C1)C(=O)O Z274535156 [1,1,0,0,0,0|2,0,0]=4 380 B13R1.1073 CC(C)(OC1=CC=CC=C1)C(=O)O Z640389616 [1,1,0,0,0,0|2,0,0]=4 381 B13R1.1073 CC(N)(CC1=CC=CC=C1)C(=O)O Z2680629352 [1,1,0,0,0,0|0,0,0]=2 382 B13R1.1073 CC(N)(CC1=CC=NC=C1)C(=O)O Z1251361035 [1,1,0,0,0,0|1,0,0]=3 383 B13R1.1073 CC(N)(CC1=NC=CC=C1)C(=O)O Z4830335089 [1,1,0,0,0,0|1,0,0]=3 384 B13R1.1073 CC(O)(CC1=CC=CC=C1)C(=O)O Z1079110682 [1,1,0,0,0,0|1,0,0]=3 385 B13R1.1073 C[C@@](O)(CC1=CC=CC=C1)C(=O)O Z1198165765 [1,1,0,0,0,0|1,0,0]=3 386 B13R1.1073 C[C@](O)(CC1=CC=CC=C1)C(=O)O Z1198165764 [1,1,0,0,0,0|1,0,0]=3 387 B13R1.1073 O=C(O)C(F)(F)OC1=CC=CC=C1 Z445134424 [1,1,0,0,0,0|2,0,0]=4 388 B13R1.146 CC1=CC(=CC=C1)CC(CN)CO Z285055118 [1,1,0,0,0,0|0,0,1]=3 389 B13R1.146 NCC(CO)CC1=CC(=CC=C1)F Z285055090 [1,1,0,0,0,0|1,0,1]=4 390 B13R1.2879 CC1=C(C=C(C=C1)CC(N)CO)C Z2255081939 [1,1,0,0,0,0|0,0,1]=3 391 B13R1.15 CC1=CC(=CC=C1)CNC(=O)CCl Z600514202 [1,1,0,0,0,0|2,0,0]=4 392 B13R1.15 CC1=CC(=CC=C1)OCC(=O)NN Z56862410 [1,1,0,0,0,0|2,0,0]=4 393 B13R1.15 CNC(=O)CNC1=CC(=CC=C1)C Z104589456 [1,1,0,0,0,0|2,0,0]=4 394 B13R1.15 COC(=O)/C=C/C1=CC(=CC=C1)C Z24506079 [1,1,0,0,0,0|0,0,2]=4 395 B13R1.15 COC(=O)CCC1=CC(=CC=C1)N Z1255441375 [1,1,0,0,0,0|1,0,0]=3 396 B13R1.15 COC(=O)CNC1=CC(=CC=C1)F Z297575610 [1,1,0,0,0,0|2,0,0]=4 397 B13R1.15 COC(=O)CNC1=NC(=CC=C1)C Z600403462 [1,1,0,0,0,0|2,0,0]=4 398 B13R1.15 COC(=O)COC1=CC(=CC=C1)Br Z18308995 [1,1,0,0,0,0|2,0,0]=4 399 B13R1.15 COC(=O)COC1=CC(=CC=C1)N Z367678732 [1,1,0,0,0,0|2,0,0]=4 400 B13R1.15 COC(=O)NCC1=CC(=CC=C1)O Z728883650 [1,1,0,0,0,0|2,0,0]=4 401 B13R1.147 CC(CC(=O)O)C1=CC(=CC=C1)F Z352781822 [1,1,0,0,0,0|1,0,0]=3 402 B13R1.147 CC1=CC(=CC=C1)C(N)CC(=O)O Z317027260 [1,1,0,0,0,0|0,0,0]=2 403 B13R1.147 NC(=O)C[C@@H](N)C1=CC(=CC=C1)Cl Z1346385500 [1,1,0,0,0,0|2,0,0]=4 404 B13R1.147 NC(=O)C[C@H](N)C1=CC(=CC=C1)Cl Z756926892 [1,1,0,0,0,0|2,0,0]=4 405 B13R1.147 NC(CC(=O)O)C1=CC(=CC=C1)Br Z56899123 [1,1,0,0,0,0|1,0,0]=3 406 B13R1.147 NC(CC(=O)O)C1=CC(=CC=C1)Cl Z317027314 [1,1,0,0,0,0|1,0,0]=3 407 B13R1.147 NC(CC(=O)O)C1=CC(=CC=C1)O Z352252742 [1,1,0,0,0,0|1,0,0]=3 408 B13R1.147 NC1=CC=CC(=C1)C(N)CC(=O)O Z1198161215 [1,1,0,0,0,0|1,0,0]=3 409 B13R1.147 O=C(O)CC(O)C1=CC(=CC=C1)F Z982132016 [1,1,0,0,0,0|1,0,0]=3 410 B13R1.150 CC1=C(C(=CC=C1)CNC(=O)N)Br Z1817045294 [1,1,0,0,0,0|2,0,0]=4 411 B13R1.150 CC1=C(C(=CC=C1)OCC(=O)N)C Z24763255 [1,1,0,0,0,0|2,0,0]=4 412 B13R1.150 CC1=C(C(=CC=C1)OCC(=O)O)C Z56911972 [1,1,0,0,0,0|1,0,0]=3 413 B13R1.150 CC1=C(C=CC=C1Br)CCC(=O)O Z1269241873 [1,1,0,0,0,0|1,0,0]=3 414 B13R1.150 CC1=C(C=CC=C1Cl)OCC(=O)O Z1209414269 [1,1,0,0,0,0|2,0,0]=4 415 B13R1.150 O=C(O)CCC1=C(C(=CC=C1)Br)Cl Z1269176762 [1,1,0,0,0,0|1,0,0]=3 416 B13R1.150 O=C(O)CCC1=C(C(=CC=C1)Br)F Z1269150982 [1,1,0,0,0,0|1,0,0]=3 417 B13R1.150 O=C(O)CCC1=C(C(=CC=C1)Cl)Br Z1269140493 [1,1,0,0,0,0|1,0,0]=3 418 B13R1.150 O=C(O)CCC1=C(C(=CC=C1)Cl)Cl Z317038008 [1,1,0,0,0,0|1,0,0]=3 419 B13R1.150 O=C(O)CCC1=C(C(=CC=C1)F)Br Z1269177313 [1,1,0,0,0,0|1,0,0]=3 420 B13R1.150 O=C(O)CCC1=C(C(=CC=C1)F)F Z445167886 [1,1,0,0,0,0|1,0,0]=3 421 B13R1.150 O=C(O)COC1=C(C(=CC=C1)Br)Cl Z3464018015 [1,1,0,0,0,0|2,0,0]=4 422 B13R1.150 O=C(O)COC1=C(C(=CC=C1)Cl)Cl Z65586632 [1,1,0,0,0,0|2,0,0]=4 423 B13R1.511 CC(=O)CCC1=CC(=C(C=C1)Cl)Cl Z406376846 [1,1,0,0,0,0|2,0,0]=4 424 B13R1.511 CC(=O)CCC1=CC(=C(C=C1)F)F Z1021461268 [1,1,0,0,0,0|2,0,0]=4 425 B13R1.511 CC(=O)CCC1=CC(=C(C=C1)O)F Z1083021660 [1,1,0,0,0,0|2,0,0]=4 426 B13R1.511 CC(=O)NCC1=CC(=C(C=C1)Cl)C Z1667602107 [1,1,0,0,0,0|2,0,0]=4 427 B13R1.511 CC(=O)NCC1=CC(=C(C=C1)F)C Z212644652 [1,1,0,0,0,0|2,0,0]=4 428 B13R1.511 CC1=C(C=C(C=C1)CCC(=O)O)C Z445853388 [1,1,0,0,0,0|0,0,0]=2 429 B13R1.511 CC1=C(C=C(C=C1)CCC(=O)O)Cl Z185153284 [1,1,0,0,0,0|1,0,0]=3 430 B13R1.511 CC1=C(C=C(C=C1)OCC(=O)N)C Z18468931 [1,1,0,0,0,0|2,0,0]=4 431 B13R1.511 CC1=C(C=C(C=C1)OCC(=O)O)C Z56820874 [1,1,0,0,0,0|1,0,0]=3 432 B13R1.511 CC1=C(C=C(C=C1)SCC(=O)N)C Z24835957 [1,1,0,0,0,0|2,0,0]=4 433 B13R1.511 CC1=C(C=C(C=C1)SCC(=O)O)C Z55903758 [1,1,0,0,0,0|1,0,0]=3 434 B13R1.511 CC1=C(C=CC(=C1)/C=C/C(=O)O)Br Z1269121998 [1,1,0,0,0,0|0,0,2]=4 435 B13R1.511 CC1=C(C=CC(=C1)/C=C/C(=O)O)F Z2311791362 [1,1,0,0,0,0|0,0,2]=4 436 B13R1.511 CC1=C(C=CC(=C1)CCC(=O)N)Br Z1359984894 [1,1,0,0,0,0|1,0,0]=3 437 B13R1.511 CC1=C(C=CC(=C1)CCC(=O)O)Br Z1269176292 [1,1,0,0,0,0|0,0,0]=2 438 B13R1.511 CC1=C(C=CC(=C1)OCC(=O)N)Cl Z18758332 [1,1,0,0,0,0|2,0,0]=4 439 B13R1.511 CC1=C(C=CC(=C1)OCC(=O)N)N Z239127644 [1,1,0,0,0,0|2,0,0]=4 440 B13R1.511 CC1=C(C=CC(=C1)OCC(=O)O)Br Z57204188 [1,1,0,0,0,0|1,0,0]=3 441 B13R1.511 CC1=C(C=CC(=C1)OCC(=O)O)Cl Z56823032 [1,1,0,0,0,0|1,0,0]=3 442 B13R1.511 CC1=C(C=CC(=C1)OCC(=O)O)F Z1262524725 [1,1,0,0,0,0|1,0,0]=3 443 B13R1.511 NC(=O)CCC1=CC(=C(C=C1)F)F Z365255896 [1,1,0,0,0,0|2,0,0]=4 444 B13R1.511 O=C(O)CCC1=CC(=C(C=C1)Br)Cl Z57039611 [1,1,0,0,0,0|1,0,0]=3 445 B13R1.511 O=C(O)CCC1=CC(=C(C=C1)Cl)Cl Z237515176 [1,1,0,0,0,0|1,0,0]=3 446 B13R1.511 O=C(O)CCC1=CC(=C(C=C1)Cl)F Z838969840 [1,1,0,0,0,0|1,0,0]=3 447 B13R1.511 O=C(O)CCC1=CC(=C(C=C1)O)Cl Z839165388 [1,1,0,0,0,0|1,0,0]=3 448 B13R1.511 O=C(O)COC1=CC(=C(C=C1)Cl)Cl Z65558737 [1,1,0,0,0,0|2,0,0]=4 449 B13R1.511 O=C(O)COC1=CC(=C(C=C1)Cl)F Z1486018170 [1,1,0,0,0,0|2,0,0]=4 450 B13R1.511 O=C(O)COC1=CC(=C(C=C1)F)Cl Z65577990 [1,1,0,0,0,0|2,0,0]=4 451 B13R1.511 O=C(O)COC1=CC(=C(C=C1)F)F Z228583518 [1,1,0,0,0,0|2,0,0]=4 452 B13R1.511 O=C(O)CSC1=CC(=C(C=C1)F)F Z92655191 [1,1,0,0,0,0|2,0,0]=4 453 B13R1.643 CC(=O)NCC1=CC(=CC=C1)CN Z1262398496 [1,1,0,0,0,0|2,0,0]=4 454 B13R1.643 CCC1=CC(=CC=C1)OCC(=O)O Z56910356 [1,1,0,0,0,0|1,0,0]=3 455 B13R1.643 CNC1=CC(=CC=C1)CCC(=O)O Z1623872023 [1,1,0,0,0,0|0,0,0]=2 456 B13R1.643 COC1=CC(=CC=C1)/C=C/C(=O)O Z104494816 [1,1,0,0,0,0|0,0,2]=4 457 B13R1.643 COC1=CC(=CC=C1)CCC(=O)O Z169916350 [1,1,0,0,0,0|0,0,0]=2 458 B13R1.643 COC1=CC(=CC=C1)CNC(=O)N Z198194944 [1,1,0,0,0,0|2,0,0]=4 459 B13R1.643 COC1=CC(=CC=C1)NCC(=O)N Z104592028 [1,1,0,0,0,0|2,0,0]=4 460 B13R1.643 COC1=CC(=CC=C1)NCC(=O)O Z274534684 [1,1,0,0,0,0|1,0,0]=3 461 B13R1.643 COC1=CC(=CC=C1)OCC(=O)O Z56782975 [1,1,0,0,0,0|1,0,0]=3 462 B13R1.643 COC1=CC(=CC=C1)SCC(=O)N Z290601360 [1,1,0,0,0,0|2,0,0]=4 463 B13R1.643 COC1=CC(=CC=C1)SCC(=O)O Z239812082 [1,1,0,0,0,0|1,0,0]=3 464 B13R1.643 COC1=CC(=CN=C1)CCC(=O)O Z1255460812 [1,1,0,0,0,0|1,0,0]=3 465 B13R1.643 COC1=NC(=CC=C1)CCC(=O)O Z3379430802 [1,1,0,0,0,0|1,0,0]=3 466 B13R1.643 N#CC1=CC=CC(=C1)NCC(=O)O Z359506264 [1,1,0,0,0,0|1,0,1]=4 467 B13R1.643 N#CC1=CC=CC(=C1)OCC(=O)O Z149252494 [1,1,0,0,0,0|1,0,1]=4 468 B13R1.643 NC(=O)COC1=CC(=CC=C1)CO Z57462495 [1,1,0,0,0,0|2,0,0]=4 469 B13R1.643 NCC1=CC(=CC=C1)OCC(=O)N Z239127266 [1,1,0,0,0,0|2,0,0]=4 470 B13R1.643 NCC1=CC(=CC=C1)OCC(=O)O Z1820007596 [1,1,0,0,0,0|1,0,0]=3 471 B13R1.643 O=C(O)/C=C/C1=CC=CC(=C1)CO Z2942853466 [1,1,0,0,0,0|0,0,2]=4 472 B13R1.643 O=CC1=CC=CC(=C1)CCC(=O)O Z1198176540 [1,1,0,0,0,0|0,0,1]=3 473 B13R1.643 O=CC1=CC=CC(=C1)OCC(=O)O Z336079446 [1,1,0,0,0,0|1,0,1]=4 474 B13R1.838 CC1=CC(=CC=C1)CCS(=O)(=O)N Z1622956963 [1,1,0,0,0,0|1,0,1]=4 475 B13R1.893 CC1=C(C=C(C=C1)Cl)OCC(=O)O Z274764854 [1,1,0,0,0,0|2,0,0]=4 476 B13R1.893 CC1=CC(=C(C=C1)C)NCC(=O)N Z104549838 [1,1,0,0,0,0|2,0,0]=4 477 B13R1.893 CC1=CC(=C(C=C1)C)OCC(=O)N Z18468017 [1,1,0,0,0,0|2,0,0]=4 478 B13R1.893 CC1=CC(=C(C=C1)C)OCC(=O)O Z56820968 [1,1,0,0,0,0|1,0,0]=3 479 B13R1.893 CC1=CC(=C(C=C1)C)SCC(=O)O Z55903768 [1,1,0,0,0,0|1,0,0]=3 480 B13R1.893 CC1=CC(=C(C=C1)Cl)OCC(=O)N Z16115067 [1,1,0,0,0,0|2,0,0]=4 481 B13R1.893 CC1=CC(=C(C=C1)Cl)OCC(=O)O Z56899213 [1,1,0,0,0,0|1,0,0]=3 482 B13R1.893 CC1=CC(=C(C=C1)F)OCC(=O)O Z1250417296 [1,1,0,0,0,0|1,0,0]=3 483 B13R1.893 O=C(O)CCC1=C(C=CC(=C1)Br)F Z426022294 [1,1,0,0,0,0|1,0,0]=3 484 B13R1.893 O=C(O)CCC1=C(C=CC(=C1)Cl)Br Z1269137463 [1,1,0,0,0,0|1,0,0]=3 485 B13R1.893 O=C(O)CCC1=C(C=CC(=C1)F)Br Z426022162 [1,1,0,0,0,0|1,0,0]=3 486 B13R1.893 O=C(O)CCC1=C(C=CC(=C1)F)F Z415635744 [1,1,0,0,0,0|1,0,0]=3 487 B13R1.893 O=C(O)CCN1C=C(C=CC1=O)Br Z285172050 [1,1,0,0,0,0|2,0,0]=4 488 B13R1.893 O=C(O)COC1=C(C=CC(=C1)Cl)Cl Z57455032 [1,1,0,0,0,0|2,0,0]=4 489 B13R1.893 O=C(O)COC1=C(C=CC(=C1)Cl)O Z56788158 [1,1,0,0,0,0|2,0,0]=4 490 B13R1.893 O=C(O)COC1=C(C=CC(=C1)F)F Z1117890486 [1,1,0,0,0,0|2,0,0]=4 491 B13R1.893 O=C(O)CSC1=C(C=CC(=C1)Cl)Cl Z55903787 [1,1,0,0,0,0|2,0,0]=4 492 B13R1.893 O=C(O)CSC1=C(C=CC(=C1)F)F Z92608891 [1,1,0,0,0,0|2,0,0]=4 493 B13R1.3420 CC1=CC(=CC(=C1)/C=C/C(=O)O)C Z2942853499 [1,1,0,0,0,0|0,0,2]=4 494 B13R1.3420 CC1=CC(=CC(=C1)CCC(=O)O)C Z733374122 [1,1,0,0,0,0|0,0,0]=2 495 B13R1.3420 CC1=CC(=CC(=C1)OCC(=O)N)C Z18469845 [1,1,0,0,0,0|2,0,0]=4 496 B13R1.3420 CC1=CC(=CC(=C1)OCC(=O)O)C Z56869402 [1,1,0,0,0,0|1,0,0]=3 497 B13R1.3420 CC1=CC(=CC(=N1)C)CCC(=O)O Z3325619569 [1,1,0,0,0,0|1,0,0]=3 498 B13R1.3420 O=C(O)CCC1=CC(=CC(=C1)Cl)Cl Z452430960 [1,1,0,0,0,0|1,0,0]=3 499 B13R1.3420 O=C(O)CCC1=CC(=CC(=C1)F)Br Z1269243583 [1,1,0,0,0,0|1,0,0]=3 500 B13R1.3420 O=C(O)COC1=CC(=CC(=C1)Cl)Cl Z441805200 [1,1,0,0,0,0|2,0,0]=4 501 B13R1.3420 O=C(O)COC1=CC(=CC(=C1)F)F Z1013753102 [1,1,0,0,0,0|2,0,0]=4 502 B13R1.134 COC(=O)C(N)CC1=CN(N=C1)C Z3376069931 [0,1,0,0,1,0|2,0,0]=4 503 B13R1.134 COC(=O)C(N)CN1C=C(C=N1)C Z2967324769 [0,1,0,0,1,0|2,0,0]=4 504 B13R1.410 CN1C=C(C=N1)CC(CN)C(=O)O Z2306603788 [0,1,0,0,1,0|2,0,0]=4 505 B13R1.3481 CC1=CC(=NN1CC(N)C(=O)O)C Z1762658197 [0,1,0,0,1,0|2,0,0]=4 506 B13R1.3481 CC1=NN(C=C1CC(N)C(=O)O)C Z3251991435 [0,1,0,0,1,0|2,0,0]=4 507 B13R1.3481 CN1C=C(C(=N1)CC(N)C(=O)O)Cl Z2106599901 [0,1,0,0,1,0|2,0,0]=4 508 B13R1.3481 NC(CC1=C(SC(=C1)Br)Br)C(=O)O Z3481837686 [0,1,0,0,1,0|2,0,0]=4 509 B13R1.3481 NC(CC1=C(SC(=C1)Cl)Cl)C(=O)O Z3337481030 [0,1,0,0,1,0|2,0,0]=4 510 B13R1.5896 CC1=C(C=NN1C)CC(N)C(=O)O Z1742195270 [0,1,0,0,1,0|2,0,0]=4 511 B13R1.704 COC(=O)C(N)CC1=C(N=CN1)C Z4321016312 [0,1,0,0,1,0|2,0,0]=4 512 B13R1.704 COC(=O)C(N)CC1=CC=NN1C Z4124919946 [0,1,0,0,1,0|2,0,0]=4 513 B13R1.704 COC(=O)C(N)CC1=NC=CN1C Z3030989211 [0,1,0,0,1,0|2,0,0]=4 514 B13R1.510 CC(C(=O)O)C1=CC(=C(C=C1)Cl)Cl Z992423142 [0,1,0,0,1,0|2,0,0]=4 515 B13R1.510 CC(C(=O)O)C1=CC(=C(C=C1)F)F Z792377186 [0,1,0,0,1,0|2,0,0]=4 516 B13R1.510 CC1=C(C=C(C=C1)C(C)C(=O)O)Br Z1813162631 [0,1,0,0,1,0|2,0,0]=4 517 B13R1.510 CC1=C(C=CC(=C1)C(=O)C(=O)O)F Z1255356879 [0,1,0,0,1,0|1,0,1]=4 518 B13R1.510 CC1=C(C=CC(=C1)C(C)C(=O)O)Br Z1813181647 [0,1,0,0,1,0|1,0,0]=3 519 B13R1.510 CC1=C(C=CC(=C1)C(N)C(=O)O)Cl Z1198640890 [0,1,0,0,1,0|0,0,0]=2 520 B13R1.510 NC(C(=O)O)C1=CC(=C(C=C1)Cl)Cl Z317024644 [0,1,0,0,1,0|1,0,0]=3 521 B13R1.510 NC(C(=O)O)C1=CC(=C(C=C1)Cl)F Z1696091766 [0,1,0,0,1,0|1,0,0]=3 522 B13R1.510 NC(C(=O)O)C1=CC(=C(C=C1)F)Cl Z1269179754 [0,1,0,0,1,0|1,0,0]=3 523 B13R1.510 O=C(O)C(O)C1=CC(=C(C=C1)Cl)Br Z1269204407 [0,1,0,0,1,0|2,0,0]=4 524 B13R1.510 O=C(O)C(O)C1=CC(=C(C=C1)Cl)Cl Z788000702 [0,1,0,0,1,0|2,0,0]=4 525 B13R1.510 O=C(O)C(O)C1=CC(=C(C=C1)Cl)F Z838972312 [0,1,0,0,1,0|2,0,0]=4 526 B13R1.510 O=C(O)C(O)C1=CC(=C(C=C1)F)Cl Z1269153543 [0,1,0,0,1,0|2,0,0]=4 527 B13R1.510 O=C(O)C(O)C1=CC(=C(C=C1)F)F Z788000624 [0,1,0,0,1,0|2,0,0]=4 528 B13R1.642 CC(C(=O)O)C1=CC(=CC=C1)C#N Z982130148 [0,1,0,0,1,0|1,0,1]=4 529 B13R1.642 COC1=CC(=CC=C1)C(C)C(=O)O Z784767752 [0,1,0,0,1,0|1,0,0]=3 530 B13R1.642 COC1=CC(=CC=C1)C(N)C(=O)O Z317024678 [0,1,0,0,1,0|0,0,0]=2 531 B13R1.716 CC(=O)C(C#N)C1=CC(=CC=C1)C Z1020842184 [0,1,0,0,1,0|1,0,1]=4 532 B13R1.716 CCC(C(=O)O)C1=CC(=CC=C1)Cl Z982130900 [0,1,0,0,1,0|2,0,0]=4 533 B13R1.716 CNC(C(=O)N)C1=CC(=CC=C1)F Z477328312 [0,1,0,0,1,0|2,0,0]=4 534 B13R1.716 CNC(C(=O)O)C1=CC(=CC=C1)Br Z1552027510 [0,1,0,0,1,0|1,0,0]=3 535 B13R1.716 CNC(C(=O)O)C1=CC(=CC=C1)F Z5105547779 [0,1,0,0,1,0|1,0,0]=3 536 B13R1.897 NC(C(=O)O)C1=C(C=CC(=C1)F)F Z415636520 [0,1,0,0,1,0|1,0,0]=3 537 B13R1.3423 CC(C(=O)O)C1=CC(=CC(=C1)F)F Z982129998 [0,1,0,0,1,0|2,0,0]=4 538 B13R1.3423 CC1=CC(=CC(=C1)C(N)C(=O)O)C Z838975722 [0,1,0,0,1,0|0,0,0]=2 539 B13R1.3423 NC(C(=O)O)C1=CC(=CC(=C1)O)O Z3014398879 [0,1,0,0,1,0|1,0,0]=3 540 B13R1.3423 O=C(O)C(O)C1=CC(=CC(=C1)Cl)Cl Z788000918 [0,1,0,0,1,0|2,0,0]=4 541 B13R1.3423 O=C(O)C(O)C1=CC(=CC(=C1)F)F Z1203161883 [0,1,0,0,1,0|2,0,0]=4 542 B13R1.3493 CC(C)(C(=O)O)C1=CC(=CC=C1)Br Z725146472 [0,1,0,0,1,0|2,0,0]=4 543 B13R1.3493 CC(C)(C(=O)O)C1=CC(=CC=C1)Cl Z725146336 [0,1,0,0,1,0|2,0,0]=4 544 B13R1.3493 CC(C)(C(=O)O)C1=CC(=CC=C1)F Z725146400 [0,1,0,0,1,0|2,0,0]=4 545 B13R1.3493 CC(C)(C(=O)O)C1=CC(=CC=C1)O Z1258979084 [0,1,0,0,1,0|2,0,0]=4 546 B13R1.3493 CC(N)(C(=O)N)C1=CC(=CC=C1)Cl Z477337870 [0,1,0,0,1,0|2,0,0]=4 547 B13R1.3493 CC(N)(C(=O)O)C1=CC(=CC=C1)Br Z317024850 [0,1,0,0,1,0|1,0,0]=3 548 B13R1.3493 CC(N)(C(=O)O)C1=CC(=CC=C1)F Z317024954 [0,1,0,0,1,0|1,0,0]=3 549 B13R1.3493 CC(O)(C(=O)O)C1=CC(=CC=C1)F Z788000530 [0,1,0,0,1,0|2,0,0]=4 550 B13R1.3493 CC1=CC(=CC=C1)C(F)(F)C(=O)O Z335859730 [0,1,0,0,1,0|1,0,0]=3 551 B13R1.3493 O=C(O)C(F)(F)C1=CC(=CC=C1)Br Z335859736 [0,1,0,0,1,0|2,0,0]=4 552 B13R1.3493 O=C(O)C(F)(F)C1=CC(=CC=C1)Cl Z335859734 [0,1,0,0,1,0|2,0,0]=4 553 B13R1.3768 CC1=C(C(=CC=C1)C(N)C(=O)O)C Z1744691758 [0,1,0,0,1,0|0,0,0]=2 554 B13R1.3768 NC(C(=O)O)C1=C(C(=CC=C1)Cl)Cl Z317024582 [0,1,0,0,1,0|1,0,0]=3 555 B13R1.3768 NC(C(=O)O)C1=C(C(=CC=C1)F)F Z1147192955 [0,1,0,0,1,0|1,0,0]=3 556 B15R1.1002 COC(=O)[C@@H](C)NCC1=CC(=CC=C1)O Z1813156411 [0,1,0,0,0,1|2,0,0]=4 557 B15R1.1570 C=C(COC1=CC=CC(=C1)OC)C(=O)O Z1197868012 [0,1,0,0,0,1|1,0,1]=4 558 B15R1.1570 COC1=CC(=CC=C1)COC(C)C(=O)O Z317026576 [0,1,0,0,0,1|1,0,0]=3 559 B15R1.1570 COC1=CC(=CC=C1)CSC(C)C(=O)N Z955207540 [0,1,0,0,0,1|2,0,0]=4 560 B15R1.8272 CC(CC(=O)C1=CC(=CC=C1)Br)C(=O)O Z838957320 [0,1,0,0,0,1|2,0,0]=4 561 B15R1.8272 CC(CC(=O)C1=CC(=CC=C1)F)C(=O)O Z838957304 [0,1,0,0,0,1|2,0,0]=4 562 B15R1.8272 CC1=CC=CC(=C1)C(=O)NC(C)C(=O)O Z56346865 [0,1,0,0,0,1|1,0,1]=4 563 B15R1.8272 CC1=CC=CC(=C1)C(=O)N[C@@H](C)C(=O)O Z57029692 [0,1,0,0,0,1|1,0,1]=4 564 B15R1.8272 NC(CC(O)C1=CC(=CC=C1)O)C(=O)O Z1510039445 [0,1,0,0,0,1|1,0,0]=3 565 B15R1.29570 CC(O)(CSC1=CC(=CC=C1)F)C(=O)O Z1373652357 [0,1,0,0,0,1|2,0,0]=4 566 B15R1.5446 CC1=CC(=CC(=C1)Cl)CN(C)CC(=O)O Z2238803146 [0,1,0,0,0,1|2,0,0]=4 567 B15R1.8439 CC1=CC(=C(C=C1)C)CS(=O)CC(=O)O Z820097828 [0,1,0,0,0,1|2,0,0]=4 568 B15R1.69 COC1=C(C(=CC=C1)CC(N)C(=O)O)O Z1065645450 [0,2,0,0,0,0|0,0,0]=2 569 B15R1.421 COC1=CC(=CC(=C1)O)CC(N)C(=O)O Z234895213 [0,2,0,0,0,0|0,0,0]=2 570 B15R1.421 CSC1=CC(=CC(=C1)Cl)CC(N)C(=O)O Z3407165822 [0,2,0,0,0,0|0,0,0]=2 571 B15R1.501 CC(=O)C1=CC=CC(=C1)OC(C)C(=O)O Z228583470 [0,2,0,0,0,0|2,0,0]=4 572 B15R1.501 CC(C)C1=CC(=CC=C1)OC(C)C(=O)O Z228583544 [0,2,0,0,0,0|2,0,0]=4 573 B15R1.1626 COC1=CC(=CC=C1)CC(CN)C(=O)O Z2235330278 [0,2,0,0,0,0|0,0,0]=2 574 B15R1.4038 COC1=C(C=CC(=C1)CC(N)C(=O)O)O Z3212891663 [0,2,0,0,0,0|0,0,0]=2 575 B15R1.4602 CSC1=CC(=C(C=C1)Cl)CC(N)C(=O)O Z3386904280 [0,2,0,0,0,0|0,0,0]=2 576 B15R1.49 CCOC(=O)C(N)CC1=CC(=CC=C1)Cl Z1973465527 [0,2,0,0,0,0|1,0,0]=3 577 B15R1.49 CCOC(=O)C(N)CC1=CC(=CC=C1)F Z3093894229 [0,2,0,0,0,0|1,0,0]=3 578 B15R1.113 COC(=O)C(C)NC1=C(C(=CC=C1)C)C Z98617242 [0,2,0,0,0,0|2,0,0]=4 579 B15R1.1374 COC(=O)C(CN)CC1=CC(=CC=C1)C Z1263820350 [0,2,0,0,0,0|0,0,0]=2 580 B15R1.1374 COC(=O)C(CN)CC1=CC(=CC=C1)F Z1263820338 [0,2,0,0,0,0|1,0,0]=3 581 B15R1.5513 COC(=O)C(C)NC1=C(C=CC(=C1)C)C Z98617158 [0,2,0,0,0,0|2,0,0]=4 582 B15R1.5521 COC(=O)C(N)CC1=CC(=C(C=C1)F)Cl Z5087129302 [0,2,0,0,0,0|1,0,0]=3 583 B15R1.5521 COC(=O)C(N)CC1=CC(=C(C=C1)O)F Z3073888196 [0,2,0,0,0,0|1,0,0]=3 584 B15R1.29536 CC(C)(C(=O)O)C(O)C1=CC(=CC=C1)O Z982140486 [0,2,0,0,0,0|2,0,0]=4 585 B15R1.8408 CC1=C(C=CC(=C1O)O)CC(N)C(=O)O Z2327040070 [0,2,0,0,0,0|1,0,0]=3 586 B15R1.3777 COC1=C(C=C(C=C1)CC(C)C(=O)O)F Z756390470 [0,2,0,0,0,0|2,0,0]=4 587 B15R1.11316 CC1=C(C=CC(=C1)CC(C)(C)C(=O)O)Br Z2165882431 [0,2,0,0,0,0|1,0,0]=3 588 B15R1.11316 C[C@@](N)(CC1=CC(=C(C=C1)O)O)C(=O)O Z1508927176 [0,2,0,0,0,0|1,0,0]=3 589 B15R1.11316 C[C@](N)(CC1=CC(=C(C=C1)O)O)C(=O)O Z1508915075 [0,2,0,0,0,0|1,0,0]=3 590 B15R1.28955 N[C@@H](CC1=CC(=C(C(=C1)I)O)I)C(=O)O Z1509614134 [0,2,0,0,0,0|1,0,0]=3 591 B15R1.28955 N[C@H](CC1=CC(=C(C(=C1)I)O)I)C(=O)O Z1509519863 [0,2,0,0,0,0|1,0,0]=3 592 B15R1.3793 COC1=C(C=C(C=C1)Br)CC(N)C(=O)O Z1262237273 [0,2,0,0,0,0|1,0,0]=3 593 B13R1.339 NC(CC(=O)C1=CC=CS1)C(=O)O Z1483934642 [0,0,1,1,0,0|2,0,0]=4 594 B13R2.369 CN1CC2=C(C=CC=C2)OC1=O Z1862014448 [1,0,0,1,0,0|2,0,0]=4 595 B13R2.369 NC1CC2=C(C=CC=C2)NC1=O Z2692093571 [1,0,0,1,0,0|1,0,0]=3 596 B13R2.369 NC1CC2=C(C=CN=C2)NC1=O Z2786036033 [1,0,0,1,0,0|2,0,0]=4 597 B13R2.369 NC1CC2=C(N=CC=C2)NC1=O Z2787257522 [1,0,0,1,0,0|2,0,0]=4 598 B13R2.373 CC1C(=O)CC1C2=CC=CC=C2 Z1436543792 [1,0,0,1,0,0|2,0,0]=4 599 B13R2.373 CC1C(=O)NC1C2=CC=CC=C2 Z1267861070 [1,0,0,1,0,0|2,0,0]=4 600 B13R2.423 O=C(O)[C@@H]1C[C@@H]1C2=CC=CC=C2 Z1198162290 [1,0,0,1,0,0|1,0,0]=3 601 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CC=CC=C2 Z2235584851 [1,0,0,1,0,0|1,0,0]=3 602 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CC=NC=C2 Z2379204261 [1,0,0,1,0,0|2,0,0]=4 603 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CN=CC=C2 Z2242045438 [1,0,0,1,0,0|2,0,0]=4 604 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=NC=CC=C2 Z3070727223 [1,0,0,1,0,0|2,0,0]=4 605 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=CC=CC=C2 Z1235967724 [1,0,0,1,0,0|1,0,0]=3 606 B13R2.423 O=C(O)[C@H]1C[C@H]1C2=CC=CC=C2 Z1262510970 [1,0,0,1,0,0|1,0,0]=3 607 B13R2.423 O=C([O-])C1OC1C2=CC=CC=C2 Z57931417 [1,0,0,1,0,0|1,0,1]=4 608 B13R2.435 NC(=O)C1CC2=C(N1)C=CC=C2 Z1255399804 [1,0,0,1,0,0|1,0,0]=3 609 B13R2.435 NC(=O)C1CC2=C(O1)C=CC=C2 Z116821856 [1,0,0,1,0,0|2,0,0]=4 610 B13R2.435 NC(=O)[C@@H]1CC2=C(N1)C=CC=C2 Z760046840 [1,0,0,1,0,0|1,0,0]=3 611 B13R2.435 O=C(O)C1=CC2=C(C1)C=CC=C2 Z1255423596 [1,0,0,1,0,0|1,0,1]=4 612 B13R2.435 O=C(O)C1=CC2=C(N1)C=CC=C2 Z56347139 [1,0,0,1,0,0|0,0,2]=4 613 B13R2.435 O=C(O)C1=NC2=C(N1)C=CC=C2 Z274592454 [1,0,0,1,0,0|1,0,1]=4 614 B13R2.435 O=C(O)C1CC2=C(C1)C=CC=C2 Z607808530 [1,0,0,1,0,0|1,0,0]=3 615 B13R2.435 O=C(O)C1CC2=C(C1)C=NC=C2 Z2213893333 [1,0,0,1,0,0|2,0,0]=4 616 B13R2.435 O=C(O)C1CC2=C(C1)N=CC=C2 Z1262528380 [1,0,0,1,0,0|2,0,0]=4 617 B13R2.435 O=C(O)C1CC2=C(N1)C=CC=C2 Z343211224 [1,0,0,1,0,0|0,0,0]=2 618 B13R2.435 O=C(O)C1CC2=C(O1)C=CC=C2 Z104377952 [1,0,0,1,0,0|1,0,0]=3 619 B13R2.435 O=C(O)C1CC2=C(S1)C=CC=C2 Z221583708 [1,0,0,1,0,0|1,0,0]=3 620 B13R2.435 O=C(O)[C@@H]1CC2=C(N1)C=CC=C2 Z335079490 [1,0,0,1,0,0|0,0,0]=2 621 B13R2.155 NC1COC2=C(C1)C=C(C=C2)Br Z3225516948 [1,0,0,1,0,0|1,0,1]=4 622 B13R2.155 NC1COC2=C(C1)C=C(C=C2)F Z2146513958 [1,0,0,1,0,0|1,0,1]=4 623 B13R2.5179 CC1=C2OCC(CC2=CC=C1)N Z2168541825 [1,0,0,1,0,0|0,0,1]=3 624 B13R2.151 CC1=CC(=CC=C1)C2CC(=O)C2 Z444344078 [1,0,0,1,0,0|1,0,0]=3 625 B13R2.151 O=C1CC(N1)C2=CC=CC(=C2)Br Z1238837585 [1,0,0,1,0,0|2,0,0]=4 626 B13R2.151 O=C1CC(N1)C2=CC=CC(=C2)O Z3227055565 [1,0,0,1,0,0|2,0,0]=4 627 B13R2.162 CC1=C2NC(=O)COC2=CC=C1 Z3236229774 [1,0,0,1,0,0|2,0,0]=4 628 B13R2.162 O=C1CCC2=CC=CC(=C2C1)Br Z1269110065 [1,0,0,1,0,0|2,0,0]=4 629 B13R2.162 O=C1CCC2=CC=CC(=C2C1)Cl Z1198163928 [1,0,0,1,0,0|2,0,0]=4 630 B13R2.162 O=C1CCC2=CC=CC(=C2N1)F Z1198183608 [1,0,0,1,0,0|2,0,0]=4 631 B13R2.162 O=C1CCC2=CC=CC(=C2N1)O Z1198166008 [1,0,0,1,0,0|2,0,0]=4 632 B13R2.162 O=C1NCC2=CC=CC(=C2O1)Br Z2751295692 [1,0,0,1,0,0|2,0,0]=4 633 B13R2.162 O=C1NCC2=CC=CC(=C2O1)O Z2894089869 [1,0,0,1,0,0|2,0,0]=4 634 B13R2.3683 NC1=CC2=C(C=C1)NC(=O)CC2 Z285150736 [1,0,0,1,0,0|2,0,0]=4 635 B13R2.3683 O=C1CCC2=C(N1)C=CC(=C2)Br Z299596072 [1,0,0,1,0,0|2,0,0]=4 636 B13R2.3683 O=C1CCC2=C(N1)C=CC(=C2)Cl Z586255942 [1,0,0,1,0,0|2,0,0]=4 637 B13R2.3683 O=C1CCC2=C(N1)C=CC(=C2)F Z330795836 [1,0,0,1,0,0|2,0,0]=4 638 B13R2.3683 O=C1CCC2=C(N1)C=CC(=C2)I Z1269172761 [1,0,0,1,0,0|2,0,0]=4 639 B13R2.3683 O=C1CCC2=C(N1)C=CC(=C2)O Z234893935 [1,0,0,1,0,0|2,0,0]=4 640 B13R2.3683 O=C1CCC2=C(O1)C=CC(=C2)Br Z1269147954 [1,0,0,1,0,0|1,0,0]=3 641 B13R2.3683 O=C1CCC2=C(O1)C=CC(=C2)O Z1513805017 [1,0,0,1,0,0|1,0,0]=3 642 B13R2.3683 O=C1NCC2=C(O1)C=CC(=C2)Br Z1269142316 [1,0,0,1,0,0|2,0,0]=4 643 B13R2.2978 CC1=CC=C(S1)[C@@H]2C[C@H]2C(=O)O Z2242045784 [0,0,0,1,1,0|2,0,0]=4 644 B13R2.2978 CN1C=CC(=C1)[C@@H]2C[C@H]2C(=O)O Z2242032526 [0,0,0,1,1,0|2,0,0]=4 645 B13R2.430 O=C(O)C1CC2=C(CN1)N=CN2 Z1276751384 [0,0,0,1,1,0|2,0,0]=4 646 B13R2.430 O=C(O)C1CC2=C(CN1)NN=C2 Z4131050692 [0,0,0,1,1,0|2,0,0]=4 647 B13R2.3437 CC1=C(SC=C1)[C@@H]2C[C@H]2C(=O)O Z2327124592 [0,0,0,1,1,0|2,0,0]=4 648 B13R2.3028 NC1C(=O)NC2=C1C=C(C=C2)Cl Z1270210921 [0,0,0,1,1,0|2,0,0]=4 649 B13R2.3028 NC1C(=O)NC2=C1C=C(C=C2)F Z3243412944 [0,0,0,1,1,0|2,0,0]=4 650 B13R2.4825 NC1C(=O)NC2=C(C=CC=C12)Cl Z3244907673 [0,0,0,1,1,0|2,0,0]=4 651 B13R2.4852 O=C(O)C1CC2=C(C=CC=C12)Cl Z1262515365 [0,0,0,1,1,0|2,0,0]=4 652 B13R2.4930 CC1=CC2=C(C=C1)CC2C(=O)O Z2719072266 [0,0,0,1,1,0|1,0,0]=3 653 B13R2.4930 O=C(O)C1CC2=C1C=C(C=C2)Cl Z1262559583 [0,0,0,1,1,0|2,0,0]=4 654 B15R2.7128 O=C(O)C1CC(C1)C2=CC(=CC=C2)F Z979420104 [0,0,0,1,0,1|2,0,0]=4 655 B15R2.7151 O=C(O)C1CC1CC2=CC(=CC=C2)Br Z2733533556 [0,0,0,1,0,1|2,0,0]=4 656 B15R2.7180 CC1=CC2=C(C=C1)OC(CC2)C(=O)O Z1198276222 [0,0,0,1,0,1|1,0,0]=3 657 B15R2.7180 O=C(O)C1CCC2=C(N1)C=CC(=C2)Br Z4893285994 [0,0,0,1,0,1|1,0,0]=3 658 B15R2.7180 O=C(O)C1CCC2=C(O1)C=CC(=C2)Br Z1269218486 [0,0,0,1,0,1|2,0,0]=4 659 B15R2.7180 O=C(O)C1COC2=C(C1)C=CC(=C2)Cl Z1862025524 [0,0,0,1,0,1|2,0,0]=4 660 B15R2.7180 O=C(O)C1COC2=C(C1)C=CC(=C2)O Z235363157 [0,0,0,1,0,1|2,0,0]=4 661 B15R2.7180 O=C(O)C1COC2=C(O1)C=CC(=C2)Br Z1862025522 [0,0,0,1,0,1|2,0,0]=4 662 B15R2.7180 O=C(O)C1COC2=C(O1)C=CC(=C2)Cl Z1508950768 [0,0,0,1,0,1|2,0,0]=4 663 B15R2.7180 O=C(O)[C@H]1CC2=C(C=C(C=C2)O)CN1 Z1198151614 [0,0,0,1,0,1|2,0,0]=4 664 B15R2.7476 CC1(CCC2=C1C=CC(=C2)Br)C(=O)O Z1726022612 [0,0,0,1,0,1|2,0,0]=4 665 B15R2.41966 C[C@@]1(C[C@@H]1C2=CC(=CC=C2)Br)C(=O)O Z2896798730 [0,0,0,1,0,1|2,0,0]=4 666 B15R2.61353 O=C(O)C1CC2=C(C=CC=C2Br)CN1 Z2938294461 [0,0,0,1,0,1|2,0,0]=4 667 B15R2.61353 O=C(O)C1CNC2=C(O1)C(=CC=C2)Br Z5354531501 [0,0,0,1,0,1|2,0,0]=4 668 B15R2.62000 NC1CCC2=C(C=CC(=C2)Br)NC1=O Z2786554645 [0,0,0,1,0,1|2,0,0]=4 669 B15R2.7252 O=C(O)CC1CC2=C(C1)C=C(C=C2)Br Z1813175279 [0,0,0,1,0,1|2,0,0]=4 670 B15R2.4755 COC1=CC(=CC=C1)[C@@H]2C[C@H]2C(=O)O Z2242045603 [0,1,0,1,0,0|1,0,0]=3 671 B15R2.4755 N#CC1=CC=CC(=C1)[C@@H]2C[C@H]2C(=O)O Z2301401444 [0,1,0,1,0,0|1,0,1]=4 672 B15R2.4834 COC1=CC2=C(C=C1)NC(=C2)C(=O)O Z1096153758 [0,1,0,1,0,0|0,0,2]=4 673 B15R2.20824 COC1=C2CC(NC2=CC=C1)C(=O)O Z2805881506 [0,1,0,1,0,0|2,0,0]=4 674 B15R2.20824 COC1=C2NC(=CC2=CC=C1)C(=O)O Z1080445432 [0,1,0,1,0,0|0,0,2]=4 675 B15R2.1590 COC(=O)C1CC2=C(O1)C=CC(=C2)C Z2732678778 [0,1,0,1,0,0|1,0,0]=3 676 B15R2.1590 COC(=O)C1CC2=C(S1)C=C(C=C2)C Z293379218 [0,1,0,1,0,0|2,0,0]=4 677 B15R2.1598 COC(=O)C1CC2=C(C1)C(=CC=C2)N Z1198335040 [0,1,0,1,0,0|2,0,0]=4 678 B15R2.1598 COC(=O)C1CC2=C(C=CC=C2N1)C Z2695869274 [0,1,0,1,0,0|2,0,0]=4 679 B15R2.7126 CC1(CC1C(=O)O)C2=CC(=CC=C2)Br Z979743292 [0,1,0,1,0,0|2,0,0]=4 680 B15R2.7203 CC1=CC2=C(C=C1)C[C@@H]([C@@H]2N)C(=O)O Z5396938389 [0,1,0,1,0,0|1,0,0]=3 681 B15R2.7203 CC1=CC2=C(C=C1)NC(=C2C)C(=O)O Z1198166199 [0,1,0,1,0,0|0,0,2]=4 682 B15R2.7203 CC1=CC2=C(C=C1)NC(=C2Cl)C(=O)O Z381042826 [0,1,0,1,0,0|0,0,2]=4 683 B15R2.7203 C[C@H]1C2=C(C=CC(=C2)Br)O[C@H]1C(=O)O Z4519248389 [0,1,0,1,0,0|2,0,0]=4 684 B15R2.13463 CC1=CC=CC2=C1NC(=C2C)C(=O)O Z1255498389 [0,1,0,1,0,0|0,0,2]=4 685 B15R2.7161 O=C(O)[C@@H]1C[C@H]1C2=C(C(=CC=C2)Cl)Cl Z2678180815 [0,1,0,1,0,0|2,0,0]=4 686 B15R2.7161 O=C(O)[C@@H]1C[C@H]1C2=C(C(=CC=C2)F)F Z2327124586 [0,1,0,1,0,0|2,0,0]=4 687 B15R2.7254 CC1=C(C2=C(C=C1)NC(=C2)C(=O)O)Br Z2887851859 [0,1,0,1,0,0|0,0,2]=4 688 B15R2.7254 CC1=C(C2=C(C=C1)NC(=C2)C(=O)O)C Z838911252 [0,1,0,1,0,0|0,0,2]=4 689 B15R2.13598 NC1=C2OCC(CC2=CC=C1)C(=O)O Z2310723134 [0,1,0,1,0,0|2,0,0]=4 690 B15R2.13598 O=C(O)C1COC2=C(C1)C=CC=C2O Z228588504 [0,1,0,1,0,0|2,0,0]=4 691 B15R2.7141 O=C(O)C1(CC1)CC2=CC(=CC=C2)Cl Z1269115105 [0,1,0,1,0,0|2,0,0]=4 692 B15R2.7174 O=C(O)C1COC2=C(C1)C=C(C=C2)Cl Z108565168 [0,1,0,1,0,0|2,0,0]=4 693 B15R2.7174 O=C(O)C1COC2=C(C1)C=C(C=C2)F Z1198276104 [0,1,0,1,0,0|2,0,0]=4 694 B15R2.1102 CC1=C(C=C2NC(=CC2=C1)C(=O)O)Cl Z3002859654 [0,1,0,1,0,0|0,0,2]=4 695 B15R2.1102 CC1=C(C=C2OC(CC2=C1)C(=O)O)C Z1262250016 [0,1,0,1,0,0|1,0,0]=3 696 B15R2.18974 CC1=C(C=C(C=C1)[C@@H]2C[C@H]2C(=O)O)Br Z3271457256 [0,1,0,1,0,0|2,0,0]=4 697 B15R2.18974 CC1=C(C=C(C=C1)[C@@H]2C[C@H]2C(=O)O)C Z2242045493 [0,1,0,1,0,0|1,0,0]=3 698 B15R2.18974 O=C(O)[C@@H]1C[C@H]1C2=CC(=C(C=C2)Br)Br Z3410034983 [0,1,0,1,0,0|2,0,0]=4 699 B15R2.18974 O=C(O)[C@@H]1C[C@H]1C2=CC(=C(C=C2)Cl)Br Z3019995727 [0,1,0,1,0,0|2,0,0]=4 700 B15R2.18974 O=C(O)[C@@H]1C[C@H]1C2=CC(=C(C=C2)Cl)Cl Z2242045590 [0,1,0,1,0,0|2,0,0]=4 701 B15R2.18974 O=C(O)[C@@H]1C[C@H]1C2=CC(=C(C=C2)F)F Z2307311644 [0,1,0,1,0,0|2,0,0]=4 702 B15R2.6871 CC1=CC(=CC(=C1)Br)[C@@H]2C[C@H]2C(=O)O Z3271454354 [0,1,0,1,0,0|1,0,0]=3 703 B15R2.6871 O=C(O)[C@@H]1C[C@H]1C2=CC(=CC(=C2)Br)Br Z3410034986 [0,1,0,1,0,0|2,0,0]=4 704 B15R2.6871 O=C(O)[C@@H]1C[C@H]1C2=CC(=CC(=C2)Cl)Br Z3271453671 [0,1,0,1,0,0|2,0,0]=4 705 B15R2.6871 O=C(O)[C@@H]1C[C@H]1C2=CC(=CC(=C2)Cl)Cl Z2327124585 [0,1,0,1,0,0|2,0,0]=4 706 B15R2.15633 CC1=C2NC(=CC2=CC(=C1)Br)C(=O)O Z1269174901 [0,1,0,1,0,0|0,0,2]=4 707 B15R2.15633 CC1=C2NC(=CC2=CC(=C1)Cl)C(=O)O Z975786062 [0,1,0,1,0,0|0,0,2]=4 708 B15R2.15633 CC1=CC2=C(NC(=C2)C(=O)O)C(=C1)C Z415743248 [0,1,0,1,0,0|0,0,2]=4 709 B15R2.42559 NC1(CC2=C(C1)C=C(C=C2)Br)C(=O)O Z2651685348 [0,1,0,1,0,0|1,0,0]=3 710 B15R2.42559 NC1(CC2=C(C1)C=C(C=C2)Cl)C(=O)O Z1446142472 [0,1,0,1,0,0|1,0,0]=3 711 B15R2.7551 O=C(O)C1CC1C2=C(C=CC(=C2)F)F Z450468496 [0,1,0,1,0,0|2,0,0]=4 712 B15R2.7551 O=C(O)[C@@H]1C[C@H]1C2=C(C=CC(=C2)Br)Cl Z3019995711 [0,1,0,1,0,0|2,0,0]=4 713 B15R2.7551 O=C(O)[C@@H]1C[C@H]1C2=C(C=CC(=C2)F)F Z3019995689 [0,1,0,1,0,0|2,0,0]=4 714 B15R2.14566 CC1=C2C=C(NC2=C(C=C1)C)C(=O)O Z119989640 [0,1,0,1,0,0|0,0,2]=4 715 B11R1.35 CC(CC1=CC=CS1)C(=O)O Z756390536 [1,0,0,0,1,0|2,0,0]=4 716 B11R1.35 NC(CC1=CC=CN1)C(=O)O Z1065645554 [1,0,0,0,1,0|1,0,0]=3 717 B11R1.35 NC(CC1=CC=CO1)C(=O)O Z317025794 [1,0,0,0,1,0|1,0,0]=3 718 B11R1.35 NC(CC1=CC=NO1)C(=O)O Z2429425584 [1,0,0,0,1,0|2,0,0]=4 719 B11R1.35 NC(CC1=CN=CS1)C(=O)O Z2753010848 [1,0,0,0,1,0|2,0,0]=4 720 B11R1.35 NC(CC1=CNC=N1)C(=O)O Z1259162152 [1,0,0,0,1,0|2,0,0]=4 721 B11R1.35 NC(CC1=COC=C1)C(=O)O Z3839442137 [1,0,0,0,1,0|1,0,0]=3 722 B11R1.35 NC(CC1=COC=N1)C(=O)O Z3377962909 [1,0,0,0,1,0|2,0,0]=4 723 B11R1.35 NC(CC1=CSC=C1)C(=O)O Z3251695259 [1,0,0,0,1,0|1,0,0]=3 724 B11R1.35 NC(CC1=CSC=N1)C(=O)O Z3355847058 [1,0,0,0,1,0|2,0,0]=4 725 B11R1.35 NC(CC1=NNC=C1)C(=O)O Z2503042485 [1,0,0,0,1,0|2,0,0]=4 726 B11R1.35 NC(CN1C=CC=N1)C(=O)O Z2933867195 [1,0,0,0,1,0|2,0,0]=4 727 B11R1.35 NC(CN1C=CN=C1)C(=O)O Z2310727968 [1,0,0,0,1,0|2,0,0]=4 728 B11R1.35 N[C@@H](CC1=CNC=N1)C(=O)O Z359369984 [1,0,0,0,1,0|2,0,0]=4 729 B11R1.35 N[C@H](CC1=CNC=N1)C(=O)O Z1079168982 [1,0,0,0,1,0|2,0,0]=4 730 B11R1.36 C=C(C(=O)O)C1=CC=CC=C1 Z1201618094 [1,0,0,0,1,0|1,0,1]=4 731 B11R1.36 CC(=O)C(C)C1=CC=CC=C1 Z1255383314 [1,0,0,0,1,0|2,0,0]=4 732 B11R1.36 CC(=O)C(N)C1=CC=CC=C1 Z3234810419 [1,0,0,0,1,0|1,0,0]=3 733 B11R1.36 CC(C(=O)N)C1=CC=CC=C1 Z1255506457 [1,0,0,0,1,0|2,0,0]=4 734 B11R1.36 CC(C(=O)O)C1=CN=CC=C1 Z792377268 [1,0,0,0,1,0|2,0,0]=4 735 B11R1.36 CC(O)C(N)C1=CC=CC=C1 Z2588063686 [1,0,0,0,1,0|1,0,1]=4 736 B11R1.36 C[C@@H](C(=O)O)C1=CN=CC=C1 Z5462337230 [1,0,0,0,1,0|2,0,0]=4 737 B11R1.36 C[C@H](C(=O)O)C1=CN=CC=C1 Z5462556304 [1,0,0,0,1,0|2,0,0]=4 738 B11R1.36 NC(=O)C(Cl)C1=CC=CC=C1 Z57069256 [1,0,0,0,1,0|2,0,0]=4 739 B11R1.36 NC(=O)C(N)C1=CC=CC=C1 Z57204607 [1,0,0,0,1,0|1,0,0]=3 740 B11R1.36 NC(=O)C(N)C1=NC=CC=C1 Z1251358507 [1,0,0,0,1,0|2,0,0]=4 741 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 Z147647142 [1,0,0,0,1,0|0,0,0]=2 742 B11R1.36 NC(C(=O)O)C1=CN=CC=C1 Z815264186 [1,0,0,0,1,0|1,0,0]=3 743 B11R1.36 N[C@@H](C(=O)O)C1=CC=CC=C1 Z278101784 [1,0,0,0,1,0|0,0,0]=2 744 B11R1.36 N[C@H](C(=O)O)C1=CC=CC=C1 Z957336528 [1,0,0,0,1,0|0,0,0]=2 745 B11R1.36 O=C(O)C(=O)C1=CC=CC=C1 Z381360894 [1,0,0,0,1,0|1,0,1]=4 746 B11R1.36 O=C(O)C(Cl)C1=CC=CC=C1 Z104495824 [1,0,0,0,1,0|1,0,0]=3 747 B11R1.36 O=C(O)C(F)C1=CC=CC=C1 Z1203161992 [1,0,0,0,1,0|1,0,0]=3 748 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 Z104473974 [1,0,0,0,1,0|1,0,0]=3 749 B11R1.36 O=C(O)C(S)C1=CC=CC=C1 Z808230894 [1,0,0,0,1,0|1,0,0]=3 750 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 Z1201618616 [1,0,0,0,1,0|1,0,0]=3 751 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 Z1255390767 [1,0,0,0,1,0|1,0,0]=3 752 B11R1.23 CC(C=O)C1=CC(=CC=C1)Br Z1269224544 [1,0,0,0,1,0|2,0,0]=4 753 B11R1.23 CC(C=O)C1=CC(=CC=C1)Cl Z1222424632 [1,0,0,0,1,0|2,0,0]=4 754 B11R1.23 CC(C=O)C1=CC(=CC=C1)F Z1222424642 [1,0,0,0,1,0|2,0,0]=4 755 B11R1.23 CC1=CC=CC(=C1)C(C)C=O Z1222424653 [1,0,0,0,1,0|1,0,0]=3 756 B11R1.23 NC(CO)C1=CC(=CC=C1)Br Z1438483917 [1,0,0,0,1,0|1,0,1]=4 757 B11R1.23 NC(CO)C1=CC(=CC=C1)Cl Z1695784092 [1,0,0,0,1,0|1,0,1]=4 758 B11R1.23 NC(CO)C1=CC(=CC=C1)F Z1268152384 [1,0,0,0,1,0|1,0,1]=4 759 B11R1.23 NC(CO)C1=CC(=CC=C1)I Z3605387233 [1,0,0,0,1,0|1,0,1]=4 760 B11R1.23 NC(CO)C1=CC(=CC=C1)O Z3247611804 [1,0,0,0,1,0|1,0,1]=4 761 B11R1.75 CC1=CC(=NO1)CCC(=O)O Z1216839860 [1,0,0,0,1,0|2,0,0]=4 762 B11R1.75 CC1=CC=C(O1)CCC(=O)O Z57248456 [1,0,0,0,1,0|1,0,0]=3 763 B11R1.75 CC1=CC=C(S1)CCC(=O)O Z381359992 [1,0,0,0,1,0|1,0,0]=3 764 B11R1.75 CC1=CN(N=C1)CCC(=O)O Z275127962 [1,0,0,0,1,0|2,0,0]=4 765 B11R1.75 CC1=CNC(=N1)CCC(=O)O Z3181965688 [1,0,0,0,1,0|2,0,0]=4 766 B11R1.75 CC1=CSC(=N1)CCC(=O)O Z1198306714 [1,0,0,0,1,0|2,0,0]=4 767 B11R1.75 CC1=NC(=CS1)CCC(=O)O Z1184876049 [1,0,0,0,1,0|2,0,0]=4 768 B11R1.75 CC1=NC=C(O1)CCC(=O)O Z1255392347 [1,0,0,0,1,0|2,0,0]=4 769 B11R1.75 CC1=NC=C(S1)CCC(=O)O Z1079166524 [1,0,0,0,1,0|2,0,0]=4 770 B11R1.75 CC1=NNC(=C1)CCC(=O)O Z1251358529 [1,0,0,0,1,0|2,0,0]=4 771 B11R1.75 CC1=NOC(=C1)CCC(=O)O Z1216842852 [1,0,0,0,1,0|2,0,0]=4 772 B11R1.75 CN1C=C(C=N1)CCC(=O)O Z335291662 [1,0,0,0,1,0|2,0,0]=4 773 B11R1.75 CN1C=CC(=C1)CCC(=O)O Z1262521199 [1,0,0,0,1,0|1,0,0]=3 774 B11R1.75 CN1C=NC(=C1)CCC(=O)O Z3681634742 [1,0,0,0,1,0|2,0,0]=4 775 B11R1.75 O=C(O)CCC1=CC(=CS1)Br Z381359988 [1,0,0,0,1,0|2,0,0]=4 776 B11R1.75 O=C(O)CCC1=CC(=CS1)Cl Z234898661 [1,0,0,0,1,0|2,0,0]=4 777 B11R1.75 O=C(O)CCC1=CC=C(S1)Cl Z381359990 [1,0,0,0,1,0|2,0,0]=4 778 B11R1.90 CC1=C(SC=N1)CCC(=O)O Z1198166208 [1,0,0,0,1,0|2,0,0]=4 779 B11R1.90 CC1=NC=CN1CCC(=O)O Z1171978833 [1,0,0,0,1,0|2,0,0]=4 780 B11R1.90 CN1C=CC=C1CCC(=O)O Z362827938 [1,0,0,0,1,0|1,0,0]=3 781 B11R1.90 CN1C=CN=C1CCC(=O)O Z2939814866 [1,0,0,0,1,0|2,0,0]=4 782 B11R1.90 CN1C=NC=C1CCC(=O)O Z1824511285 [1,0,0,0,1,0|2,0,0]=4 783 B11R1.90 CN1N=CC=C1CCC(=O)O Z1198171512 [1,0,0,0,1,0|2,0,0]=4 784 B11R1.90 O=C(O)CCC1=C(C=CS1)Br Z854069976 [1,0,0,0,1,0|2,0,0]=4 785 B11R1.90 O=C(O)CCC1=C(SC=C1)Br Z2236423623 [1,0,0,0,1,0|2,0,0]=4 786 B11R1.90 O=C(O)CCC1=C(SC=C1)Cl Z2261978289 [1,0,0,0,1,0|2,0,0]=4 787 B11R1.314 CC1=CC=C(O1)C(C)C(=O)O Z792377304 [0,0,0,0,2,0|2,0,0]=4 788 B11R1.314 CC1=CC=C(S1)C(C)C(=O)O Z803101406 [0,0,0,0,2,0|2,0,0]=4 789 B11R1.314 CN1C=C(C=N1)C(N)C(=O)O Z335292112 [0,0,0,0,2,0|2,0,0]=4 790 B11R1.314 CN1C=CC(=N1)C(N)C(=O)O Z2901983931 [0,0,0,0,2,0|2,0,0]=4 791 B11R1.89 CC1=C(SC=N1)C(N)C(=O)O Z1262531665 [0,0,0,0,2,0|2,0,0]=4 792 B13R1.348 CN(CC(=O)O)CC1=CC=CC=C1 Z1259040954 [1,0,0,0,0,1|2,0,0]=4 793 B13R1.348 NC(CC(=O)O)CC1=CC=CC=C1 Z1318516262 [1,0,0,0,0,1|0,0,0]=2 794 B13R1.348 O=C(O)CC(O)CC1=CC=CC=C1 Z982132054 [1,0,0,0,0,1|1,0,0]=3 795 B13R1.351 C=C(COC1=CC=CC=C1)C(=O)O Z1197868054 [1,0,0,0,0,1|1,0,1]=4 796 B13R1.351 CC(/C=C/C1=CC=CC=C1)C(=O)O Z3241898772 [1,0,0,0,0,1|1,0,1]=4 797 B13R1.351 CC(=O)C(C)OCC1=CC=CC=C1 Z906195336 [1,0,0,0,0,1|2,0,0]=4 798 B13R1.351 CC(COC1=CC=CC=C1)C(=O)O Z425469932 [1,0,0,0,0,1|1,0,0]=3 799 B13R1.351 CC(CSC1=CC=CC=C1)C(=O)O Z431541708 [1,0,0,0,0,1|1,0,0]=3 800 B13R1.351 CC(NCC1=CC=CC=C1)C(=O)O Z426041612 [1,0,0,0,0,1|1,0,0]=3 801 B13R1.351 CC(NCC1=CN=CC=C1)C(=O)O Z440613690 [1,0,0,0,0,1|2,0,0]=4 802 B13R1.351 CC(NCC1=NC=CC=C1)C(=O)O Z1270255478 [1,0,0,0,0,1|2,0,0]=4 803 B13R1.351 CC(OCC1=CC=CC=C1)C(=O)N Z394696218 [1,0,0,0,0,1|2,0,0]=4 804 B13R1.351 CC(OCC1=CC=CC=C1)C(=O)O Z316258798 [1,0,0,0,0,1|1,0,0]=3 805 B13R1.351 CC(OCC1=CC=NC=C1)C(=O)O Z2235681270 [1,0,0,0,0,1|2,0,0]=4 806 B13R1.351 CC(SCC1=CC=CC=C1)C(=O)O Z18753939 [1,0,0,0,0,1|1,0,0]=3 807 B13R1.351 C[C@H](NCC1=NC=CC=C1)C(=O)O Z5717815294 [1,0,0,0,0,1|2,0,0]=4 808 B13R1.351 C[C@H](OCC1=CC=CC=C1)C(=O)O Z1255498772 [1,0,0,0,0,1|1,0,0]=3 809 B13R1.351 NC(CCC1=CC=CC=C1)C(=O)O Z317025074 [1,0,0,0,0,1|0,0,0]=2 810 B13R1.351 NC(CCC1=CC=NC=C1)C(=O)O Z3004510439 [1,0,0,0,0,1|1,0,0]=3 811 B13R1.351 NC(CCC1=NC=CC=C1)C(=O)O Z2310672466 [1,0,0,0,0,1|1,0,0]=3 812 B13R1.351 N[C@@H](CCC1=CC=CC=C1)C(=O)O Z1255434715 [1,0,0,0,0,1|0,0,0]=2 813 B13R1.351 N[C@H](CCC1=CC=CC=C1)C(=O)O Z1255399095 [1,0,0,0,0,1|0,0,0]=2 814 B13R1.351 O=C(O)C(=O)CCC1=CC=CC=C1 Z1201620725 [1,0,0,0,0,1|1,0,1]=4 815 B13R1.351 O=C(O)C(O)CCC1=CC=CC=C1 Z1259340035 [1,0,0,0,0,1|1,0,0]=3 816 B13R1.149 CC(=O)NCCC1=CC(=CC=C1)Br Z2286728666 [1,0,0,0,0,1|2,0,0]=4 817 B13R1.149 CC(=O)NCCC1=CC(=CC=C1)Cl Z52318908 [1,0,0,0,0,1|2,0,0]=4 818 B13R1.149 CC(=O)OCCC1=CC(=CC=C1)N Z1262633949 [1,0,0,0,0,1|2,0,0]=4 819 B13R1.149 CC1=CC(=CC=C1)CNCC(=O)O Z1270446344 [1,0,0,0,0,1|0,0,0]=2 820 B13R1.149 CC1=CC(=CC=C1)COCC(=O)O Z1251362362 [1,0,0,0,0,1|0,0,0]=2 821 B13R1.149 CC1=CC(=CC=C1)CSCC(=O)O Z19692175 [1,0,0,0,0,1|0,0,0]=2 822 B13R1.149 CC1=CC(=CC=C1)NCCC(=O)N Z382711330 [1,0,0,0,0,1|1,0,0]=3 823 B13R1.149 CC1=CC(=CC=C1)OCCC(=O)N Z33545285 [1,0,0,0,0,1|1,0,0]=3 824 B13R1.149 CC1=CC(=CC=C1)OCCC(=O)O Z56805757 [1,0,0,0,0,1|0,0,0]=2 825 B13R1.149 NC(=O)CCOC1=CC(=CC=C1)Br Z33547023 [1,0,0,0,0,1|2,0,0]=4 826 B13R1.149 NC(=O)CCOC1=CC(=CC=C1)F Z291821318 [1,0,0,0,0,1|2,0,0]=4 827 B13R1.149 NC(=O)CCOC1=CC(=CC=C1)N Z382711144 [1,0,0,0,0,1|2,0,0]=4 828 B13R1.149 NC(=O)CCSC1=CC(=CC=C1)Cl Z994468306 [1,0,0,0,0,1|2,0,0]=4 829 B13R1.149 NC(=O)CSCC1=CC(=CC=C1)Br Z17129088 [1,0,0,0,0,1|2,0,0]=4 830 B13R1.149 NC(=O)CSCC1=CC(=CC=C1)N Z1813147313 [1,0,0,0,0,1|2,0,0]=4 831 B13R1.149 NC(=O)NCCC1=CC(=CC=C1)Cl Z198195798 [1,0,0,0,0,1|2,0,0]=4 832 B13R1.149 O=C(O)C/C=C/C1=CC(=CC=C1)F Z1350606434 [1,0,0,0,0,1|1,0,1]=4 833 B13R1.149 O=C(O)CCCC1=CC(=CC=C1)Br Z1097106911 [1,0,0,0,0,1|1,0,0]=3 834 B13R1.149 O=C(O)CCCC1=CC(=CC=C1)Cl Z1198171600 [1,0,0,0,0,1|1,0,0]=3 835 B13R1.149 O=C(O)CCOC1=CC(=CC=C1)Br Z56893184 [1,0,0,0,0,1|1,0,0]=3 836 B13R1.149 O=C(O)CCOC1=CC(=CC=C1)Cl Z240085186 [1,0,0,0,0,1|1,0,0]=3 837 B13R1.149 O=C(O)CCOC1=CC(=CC=C1)F Z240085194 [1,0,0,0,0,1|1,0,0]=3 838 B13R1.149 O=C(O)CCOC1=CC(=CC=C1)I Z381428310 [1,0,0,0,0,1|1,0,0]=3 839 B13R1.149 O=C(O)CCSC1=CC(=CC=C1)Cl Z994465870 [1,0,0,0,0,1|1,0,0]=3 840 B13R1.149 O=C(O)CNCC1=CC(=CC=C1)Br Z239092040 [1,0,0,0,0,1|1,0,0]=3 841 B13R1.149 O=C(O)CNCC1=CC(=CC=C1)F Z763367852 [1,0,0,0,0,1|1,0,0]=3 842 B13R1.149 O=C(O)COCC1=CC(=CC=C1)Cl Z1258763876 [1,0,0,0,0,1|1,0,0]=3 843 B13R1.149 O=C(O)COCC1=CC(=O)NC=C1 Z2680630303 [1,0,0,0,0,1|2,0,0]=4 844 B13R1.149 O=C(O)CSCC1=CC(=CC=C1)Br Z19692009 [1,0,0,0,0,1|1,0,0]=3 845 B13R1.149 O=C(O)CSCC1=CC(=CC=C1)Cl Z19691783 [1,0,0,0,0,1|1,0,0]=3 846 B13R1.149 O=C(O)CSCC1=CC(=CN=C1)F Z4359812984 [1,0,0,0,0,1|2,0,0]=4