0 B12R1.261 CC(=O)C1=C(C=CC=C1)C(=O)O Z57158791 [0,0,0,0,0,0|1,0,0]=1 1 B12R1.261 CC(C)C1=C(C=CC=C1)C(=O)O Z1171157998 [0,0,0,0,0,0|2,0,1]=3 2 B12R1.261 CC(O)C1=C(C=CC=C1)[N+](=O)[O-] Z228586260 [0,0,0,0,0,0|2,0,2]=4 3 B12R1.261 CN(C)C1=C(C=CC=N1)C(=O)O Z425449676 [0,0,0,0,0,0|4,0,0]=4 4 B12R1.261 CN(C)C1=C(C=CN=C1)C(=O)O Z4439096301 [0,0,0,0,0,0|4,0,0]=4 5 B12R1.261 CN(C)C1=C(C=NC=C1)C(=O)O Z1262546351 [0,0,0,0,0,0|4,0,0]=4 6 B12R1.261 CN(C)C1=C(N=CC=C1)C(=O)O Z2256216232 [0,0,0,0,0,0|4,0,0]=4 7 B12R1.261 N=C(N)C1=C(C=CC=C1)C(=O)O Z3242292796 [0,0,0,0,0,0|2,0,0]=2 8 B12R1.261 N=C(N)C1=C(C=CC=C1)[N+](=O)[O-] Z2786051785 [0,0,0,0,0,0|3,0,1]=4 9 B12R1.261 NC(=O)C1=C(C=CC=C1)C(=O)N Z104476290 [0,0,0,0,0,0|2,0,0]=2 10 B12R1.261 NC(=O)C1=C(C=CC=N1)C(=O)O Z1142648247 [0,0,0,0,0,0|2,0,0]=2 11 B12R1.261 NC(=O)C1=C(N=CC=N1)C(=O)O Z104493654 [0,0,0,0,0,0|3,0,0]=3 12 B12R1.261 O=C(O)C1=C(C=CC=C1)B(O)O Z1201620947 [0,0,0,0,0,0|1,0,1]=2 13 B12R1.261 O=C(O)C1=C(C=CC=C1)C(=O)O Z57127456 [0,0,0,0,0,0|0,0,0]=0 14 B12R1.261 O=C(O)C1=C(C=CC=C1)[N+](=O)[O-] Z57160141 [0,0,0,0,0,0|1,0,1]=2 15 B12R1.261 O=C(O)C1=C(C=CN=C1)C(F)F Z3487940786 [0,0,0,0,0,0|3,0,1]=4 16 B12R1.261 O=C(O)C1=C(C=NC=C1)C(=O)O Z1123696308 [0,0,0,0,0,0|1,0,0]=1 17 B12R1.261 O=C(O)C1=C(C=NN=C1)C(=O)O Z1201623771 [0,0,0,0,0,0|2,0,0]=2 18 B12R1.261 O=C(O)C1=C(N=CC=C1)C(=O)O Z57160166 [0,0,0,0,0,0|1,0,0]=1 19 B12R1.261 O=C(O)C1=C(N=CC=C1)C(F)F Z1255464602 [0,0,0,0,0,0|3,0,1]=4 20 B12R1.261 O=C(O)C1=C(N=CC=N1)C(=O)O Z104492896 [0,0,0,0,0,0|2,0,0]=2 21 B12R1.261 O=[N+]([O-])C1=C(C=CC=C1)[N+](=O)[O-] Z56914842 [0,0,0,0,0,0|2,0,2]=4 22 B11R1.53 C#CC1=C(C=CC=C1)C(=O)C Z1255430329 [1,0,0,0,0,0|2,0,1]=4 23 B11R1.53 C=C(C)C1=C(C=CN=C1)C=O Z1813175382 [1,0,0,0,0,0|3,0,0]=4 24 B11R1.53 CC(=O)C1=C(C=CC=C1)C#N Z1201620078 [1,0,0,0,0,0|2,0,1]=4 25 B11R1.53 CC(=O)C1=C(C=CC=C1)C=O Z1255489619 [1,0,0,0,0,0|1,0,0]=2 26 B11R1.53 CC(C)C1=C(C=CC=C1)C=O Z1171158413 [1,0,0,0,0,0|2,0,1]=4 27 B11R1.53 CCC1=C(C=CC=C1)C(=O)N Z1203580417 [1,0,0,0,0,0|2,0,1]=4 28 B11R1.53 CCC1=C(C=CC=C1)C(=O)O Z979777146 [1,0,0,0,0,0|1,0,1]=3 29 B11R1.53 CCC1=C(C=CC=N1)C(=O)O Z5499572051 [1,0,0,0,0,0|2,0,1]=4 30 B11R1.53 CCC1=C(C=CN=C1)C(=O)O Z1551475975 [1,0,0,0,0,0|2,0,1]=4 31 B11R1.53 CCC1=C(N=CC=C1)C(=O)O Z1558209672 [1,0,0,0,0,0|2,0,1]=4 32 B11R1.53 CN(C)C1=C(C=CC=C1)C=O Z335439980 [1,0,0,0,0,0|3,0,0]=4 33 B11R1.53 CNC1=C(C=CC=C1)C(=O)N Z56947598 [1,0,0,0,0,0|3,0,0]=4 34 B11R1.53 CNC1=C(C=CC=C1)C(=O)O Z56941087 [1,0,0,0,0,0|2,0,0]=3 35 B11R1.53 CNC1=C(C=CC=N1)C(=O)O Z71177490 [1,0,0,0,0,0|3,0,0]=4 36 B11R1.53 CNC1=C(C=CN=C1)C(=O)O Z1473282233 [1,0,0,0,0,0|3,0,0]=4 37 B11R1.53 COC1=C(C=CC=C1)C(=O)N Z33546468 [1,0,0,0,0,0|3,0,0]=4 38 B11R1.53 COC1=C(C=CC=C1)C(=O)O Z57127524 [1,0,0,0,0,0|2,0,0]=3 39 B11R1.53 COC1=C(C=CC=N1)C(=O)O Z71179597 [1,0,0,0,0,0|3,0,0]=4 40 B11R1.53 COC1=C(C=CN=C1)C(=O)O Z1198172204 [1,0,0,0,0,0|3,0,0]=4 41 B11R1.53 COC1=C(C=NC=C1)C(=O)O Z1198164403 [1,0,0,0,0,0|3,0,0]=4 42 B11R1.53 COC1=C(N=CC=C1)C(=O)O Z808643216 [1,0,0,0,0,0|3,0,0]=4 43 B11R1.53 CSC1=C(C=CC=C1)C(=O)C Z732207820 [1,0,0,0,0,0|3,0,0]=4 44 B11R1.53 CSC1=C(C=CC=C1)C(=O)O Z56921447 [1,0,0,0,0,0|2,0,0]=3 45 B11R1.53 CSC1=C(C=CC=N1)C(=O)O Z104479350 [1,0,0,0,0,0|3,0,0]=4 46 B11R1.53 CSC1=C(N=CC=C1)C(=O)O Z1262521288 [1,0,0,0,0,0|3,0,0]=4 47 B11R1.53 N#CC1=C(C=NC=C1)C(=O)O Z1205656042 [1,0,0,0,0,0|2,0,1]=4 48 B11R1.53 NC(=O)C1=C(C=CC=C1)C=O Z1068032864 [1,0,0,0,0,0|1,0,0]=2 49 B11R1.53 NCC1=C(N=CC=C1)C(=O)O Z5490316769 [1,0,0,0,0,0|2,0,1]=4 50 B11R1.53 NNC1=C(C=CC=C1)C(=O)O Z56827064 [1,0,0,0,0,0|2,0,0]=3 51 B11R1.53 O=C(O)C1=C(C=CC=C1)CO Z425446262 [1,0,0,0,0,0|0,0,1]=2 52 B11R1.53 O=CC1=C(C=CC=C1)B(O)O Z415628158 [1,0,0,0,0,0|1,0,1]=3 53 B11R1.53 O=CC1=C(C=CC=C1)C(=O)O Z104478340 [1,0,0,0,0,0|0,0,0]=1 54 B11R1.53 O=CC1=C(C=CC=C1)C(F)F Z1255437378 [1,0,0,0,0,0|2,0,1]=4 55 B11R1.53 O=CC1=C(C=CC=C1)[N+](=O)[O-] Z57162107 [1,0,0,0,0,0|1,0,1]=3 56 B11R1.53 O=CC1=C(C=CC=N1)C(=O)O Z2935743683 [1,0,0,0,0,0|1,0,0]=2 57 B11R1.53 O=CC1=C(C=NC=C1)[N+](=O)[O-] Z1198168586 [1,0,0,0,0,0|2,0,1]=4 58 B11R1.53 O=CC1=C(N=CC=C1)C(=O)O Z1198311039 [1,0,0,0,0,0|1,0,0]=2 59 B11R1.53 O=CC1=C(N=CC=C1)[N+](=O)[O-] Z1198170549 [1,0,0,0,0,0|2,0,1]=4 60 B13R1.165 CC(C)C1=C(C=C(C=C1)Cl)C(=O)O Z1947398798 [0,1,0,0,0,0|2,0,1]=4 61 B13R1.165 CC(C)C1=C(C=C(C=C1)F)C(=O)O Z1171157999 [0,1,0,0,0,0|2,0,1]=4 62 B13R1.165 CC1=CC(=C(C=C1)C(C)C)C(=O)O Z1251357644 [0,1,0,0,0,0|2,0,1]=4 63 B13R1.165 CC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)O Z1255419193 [0,1,0,0,0,0|1,0,1]=3 64 B13R1.165 CC1=CC(=C(N=C1)C(=O)O)C(=O)O Z1198165562 [0,1,0,0,0,0|1,0,0]=2 65 B13R1.165 CN(C)C1=C(C=CC(=C1)Br)C(=O)O Z1816507679 [0,1,0,0,0,0|3,0,0]=4 66 B13R1.165 NC(=O)C1=C(C=CC(=C1)N)[N+](=O)[O-] Z959893188 [0,1,0,0,0,0|2,0,1]=4 67 B13R1.165 NC1=CC(=C(C=C1)C(=O)O)C(=O)O Z276600422 [0,1,0,0,0,0|0,0,0]=1 68 B13R1.165 O=C(O)C1=C(C=C(C=C1)Cl)[N+](=O)[O-] Z104474392 [0,1,0,0,0,0|1,0,1]=3 69 B13R1.165 O=C(O)C1=C(C=C(C=C1)F)C(=O)O Z335437572 [0,1,0,0,0,0|0,0,0]=1 70 B13R1.165 O=C(O)C1=C(C=C(C=C1)I)C(=O)O Z1269194728 [0,1,0,0,0,0|0,0,0]=1 71 B13R1.165 O=C(O)C1=C(C=C(C=C1)O)C(F)F Z4454603450 [0,1,0,0,0,0|2,0,1]=4 72 B13R1.165 O=C(O)C1=C(C=C(C=C1)O)[N+](=O)[O-] Z1198238037 [0,1,0,0,0,0|1,0,1]=3 73 B13R1.165 O=C(O)C1=C(C=CC(=C1)Cl)[N+](=O)[O-] Z104477156 [0,1,0,0,0,0|1,0,1]=3 74 B13R1.165 O=C(O)C1=C(C=CC(=C1)F)C(F)F Z3444458271 [0,1,0,0,0,0|2,0,1]=4 75 B13R1.165 O=C(O)C1=C(C=CC(=C1)F)[N+](=O)[O-] Z600389888 [0,1,0,0,0,0|1,0,1]=3 76 B13R1.165 O=C(O)C1=C(C=CC(=C1)O)[N+](=O)[O-] Z385458388 [0,1,0,0,0,0|1,0,1]=3 77 B13R1.165 O=C(O)C1=C(C=NC(=C1)Br)[N+](=O)[O-] Z1269193043 [0,1,0,0,0,0|2,0,1]=4 78 B13R1.165 O=C(O)C1=C(C=NC(=C1)Cl)[N+](=O)[O-] Z1269108738 [0,1,0,0,0,0|2,0,1]=4 79 B13R1.165 O=C(O)C1=C(N=C(C=C1)Cl)C(=O)O Z1269219018 [0,1,0,0,0,0|1,0,0]=2 80 B13R1.295 CC(=O)C1=C(C=CC=C1C)[N+](=O)[O-] Z1255468663 [0,1,0,0,0,0|2,0,1]=4 81 B13R1.295 CC(C)C1=C(C(=CC=C1)F)C(=O)O Z1741792263 [0,1,0,0,0,0|2,0,1]=4 82 B13R1.295 CC(C)C1=C(C=CC=C1F)C(=O)O Z3300754407 [0,1,0,0,0,0|2,0,1]=4 83 B13R1.295 CC1=C(C(=CC=C1)C(=O)O)[N+](=O)[O-] Z104482584 [0,1,0,0,0,0|1,0,1]=3 84 B13R1.295 CC1=C(C(=CC=C1)[N+](=O)[O-])C(=O)N Z394696612 [0,1,0,0,0,0|2,0,1]=4 85 B13R1.295 CC1=C(C(=CC=C1)[N+](=O)[O-])C(=O)O Z168878268 [0,1,0,0,0,0|1,0,1]=3 86 B13R1.295 CC1=C(C(=NC=C1)C(=O)O)C(=O)O Z1262512158 [0,1,0,0,0,0|1,0,0]=2 87 B13R1.295 NC1=C(C(=CC=C1)[N+](=O)[O-])C(=O)O Z1255442308 [0,1,0,0,0,0|1,0,1]=3 88 B13R1.295 NC1=C(C(=CC=N1)C(=O)O)[N+](=O)[O-] Z1892052448 [0,1,0,0,0,0|2,0,1]=4 89 B13R1.295 O=C(O)C1=C(C(=CC=C1)Cl)C(F)F Z3243475459 [0,1,0,0,0,0|2,0,1]=4 90 B13R1.295 O=C(O)C1=C(C(=NC=C1)Cl)[N+](=O)[O-] Z1201703028 [0,1,0,0,0,0|2,0,1]=4 91 B13R1.295 O=C(O)C1=C(C=CC=C1Cl)[N+](=O)[O-] Z277540142 [0,1,0,0,0,0|1,0,1]=3 92 B13R1.349 CC(=O)C1=C(C=CC=C1)S(=O)(=O)C Z1116403972 [0,1,0,0,0,0|2,0,1]=4 93 B13R1.349 CC(C)(C)C1=C(C=CC=C1)C(=O)O Z1198187055 [0,1,0,0,0,0|2,0,1]=4 94 B13R1.349 CP(=O)(O)C1=C(C=CC=C1)C(=O)O Z1508983292 [0,1,0,0,0,0|1,0,0]=2 95 B13R1.349 CS(=O)(=O)C1=C(C=CC=C1)C(=O)O Z57044274 [0,1,0,0,0,0|1,0,1]=3 96 B13R1.349 CS(=O)(=O)C1=C(C=CC=N1)C(=O)O Z362600258 [0,1,0,0,0,0|2,0,1]=4 97 B13R1.349 CS(=O)(=O)C1=C(N=CC=C1)C(=O)O Z1508941156 [0,1,0,0,0,0|2,0,1]=4 98 B13R1.349 NC(=O)C1=C(C=CC=C1)S(=O)(=O)N Z385455484 [0,1,0,0,0,0|2,0,1]=4 99 B13R1.349 O=C(O)C1=C(C=CC=C1)C(F)(F)F Z56922112 [0,1,0,0,0,0|2,0,1]=4 100 B13R1.349 O=C(O)C1=C(C=CC=C1)P(=O)(O)O Z1269164752 [0,1,0,0,0,0|1,0,0]=2 101 B13R1.349 O=C(O)C1=C(C=CC=C1)S(=O)(=O)O Z56759395 [0,1,0,0,0,0|1,0,0]=2 102 B13R1.349 O=[N+]([O-])C1=C(C=CC=C1)S(=O)(=O)O Z221527516 [0,1,0,0,0,0|2,0,1]=4 103 B13R1.547 CCS(=O)C1=C(C=CC=C1)C(=O)O Z85923150 [0,1,0,0,0,0|2,0,0]=3 104 B13R1.547 COC(=O)C1=C(C=CC=C1)B(O)O Z1255391218 [0,1,0,0,0,0|1,0,1]=3 105 B13R1.547 COC(=O)C1=C(C=CC=C1)C(=O)O Z1080376828 [0,1,0,0,0,0|0,0,0]=1 106 B13R1.547 COC(=O)C1=C(C=CN=C1)C(=O)O Z1255379671 [0,1,0,0,0,0|1,0,0]=2 107 B13R1.547 COC(=O)C1=C(N=CC=C1)C(=O)O Z1198182823 [0,1,0,0,0,0|1,0,0]=2 108 B13R1.547 COC(=O)C1=C(N=CC=N1)C(=O)O Z2293608377 [0,1,0,0,0,0|2,0,0]=3 109 B13R2.371 CC1=C2C=CC=CC2=C(C=C1)O Z1198149533 [0,0,0,1,0,0|3,0,0]=4 110 B13R2.371 CC1=NNC(=O)C2=C1C=CC=C2 Z56877312 [0,0,0,1,0,0|3,0,0]=4 111 B13R2.371 NC1=C2C=CC=CC2=C(C=C1)O Z104442670 [0,0,0,1,0,0|3,0,0]=4 112 B13R2.371 NC1=NNC(=O)C2=C1C=CC=C2 Z1262622732 [0,0,0,1,0,0|3,0,0]=4 113 B13R2.371 O=C1C=CC(=O)C2=C1C=CC=C2 Z104494806 [0,0,0,1,0,0|2,0,0]=3 114 B13R2.371 O=C1NC=C(C2=C1C=CC=C2)Cl Z1198158985 [0,0,0,1,0,0|3,0,0]=4 115 B13R2.371 O=C1NC=C(C2=C1C=CC=C2)F Z2932596705 [0,0,0,1,0,0|3,0,0]=4 116 B13R2.371 O=C1NC=C(C2=C1C=CC=C2)I Z1269223291 [0,0,0,1,0,0|3,0,0]=4 117 B13R2.371 O=C1NC=C(C2=C1C=CC=C2)O Z276119362 [0,0,0,1,0,0|2,0,0]=3 118 B13R2.371 O=C1NNC(=O)C2=C1C=CC=C2 Z50146004 [0,0,0,1,0,0|2,0,0]=3 119 B13R2.371 OC1=C2C=CC=CC2=C(C=C1)Br Z57204184 [0,0,0,1,0,0|3,0,0]=4 120 B13R2.371 OC1=C2C=CC=CC2=C(C=C1)Cl Z104477546 [0,0,0,1,0,0|3,0,0]=4 121 B13R2.371 OC1=C2C=CC=CC2=C(C=C1)F Z1198279754 [0,0,0,1,0,0|3,0,0]=4 122 B13R2.371 OC1=C2C=CC=CC2=C(C=C1)O Z815299402 [0,0,0,1,0,0|2,0,0]=3 123 B13R2.371 OC1=C2C=CC=CC2=C(C=C1)S Z1251357608 [0,0,0,1,0,0|2,1,0]=4 124 B13R2.5514 O=C(O)C1=C(C=CC=C1)C2CC2 Z992239744 [0,0,0,1,0,0|2,0,1]=4 125 B13R2.12159 CC1(OC(=O)C2=C1C=CC=C2)C Z1255415853 [0,0,0,1,0,0|2,0,1]=4 126 B13R2.12159 CS1(=NC(=O)C2=C1C=CC=C2)=O Z3072622612 [0,0,0,1,0,0|3,0,0]=4 127 B13R2.12159 N=S1(=O)NC(=O)C2=C1C=CC=C2 Z3717675699 [0,0,0,1,0,0|3,0,0]=4 128 B13R2.12159 O=C1NS(=O)(=O)C2=C1C=CC=C2 Z256708526 [0,0,0,1,0,0|2,0,1]=4 129 B11R1.178 CC(=O)C1=C(SC=C1)C(=O)O Z1198158862 [0,0,0,0,1,0|2,0,0]=3 130 B11R1.178 NC(=O)C1=CSC=C1C(=O)O Z2122267359 [0,0,0,0,1,0|2,0,0]=3 131 B11R1.178 O=C(O)C1=C(CCC1)C(=O)O Z1255487192 [0,0,0,0,1,0|0,0,3]=4 132 B11R1.178 O=C(O)C1=C(NC=N1)C(=O)O Z57290953 [0,0,0,0,1,0|2,0,0]=3 133 B11R1.178 O=C(O)C1=C(SC=C1)C(=O)O Z877960192 [0,0,0,0,1,0|1,0,0]=2 134 B11R1.178 O=C(O)C1=CNC=C1C(=O)O Z815303066 [0,0,0,0,1,0|1,0,0]=2 135 B13R1.589 CC(=O)CC1=C(C=CC=C1)[N+](=O)[O-] Z329711592 [0,0,0,0,0,1|2,0,1]=4 136 B13R1.589 CC(=O)NC1=C(C=CN=C1)C(=O)O Z1198154202 [0,0,0,0,0,1|2,0,0]=3 137 B13R1.589 CC(=O)NC1=C(N=CC=C1)C(=O)O Z1255368060 [0,0,0,0,0,1|2,0,0]=3 138 B13R1.589 CC(=O)OC1=C(C=CC=C1)C(=O)C Z28255481 [0,0,0,0,0,1|2,0,0]=3 139 B13R1.589 CC(=O)OC1=C(C=CC=C1)C(=O)O Z104474430 [0,0,0,0,0,1|1,0,0]=2 140 B13R1.589 CC(C)C1=C(C=CC=C1)CC(=O)O Z1198264507 [0,0,0,0,0,1|2,0,1]=4 141 B13R1.589 CC(C)CC1=C(C=CC=C1)C(=O)O Z1171157982 [0,0,0,0,0,1|2,0,1]=4 142 B13R1.589 CC(C)NC1=C(C=CC=C1)C(=O)O Z111833802 [0,0,0,0,0,1|2,0,1]=4 143 B13R1.589 CC(C)OC1=C(C=CC=C1)C(=O)O Z227714380 [0,0,0,0,0,1|2,0,1]=4 144 B13R1.589 CC(C)SC1=C(C=CC=C1)C(=O)O Z147642722 [0,0,0,0,0,1|2,0,1]=4 145 B13R1.589 CN(C)CC1=C(C=CC=C1)C(=O)O Z763367814 [0,0,0,0,0,1|3,0,0]=4 146 B13R1.589 CS(=O)C1=C(C=CC=C1)CC(=O)O Z1262518784 [0,0,0,0,0,1|2,0,0]=3 147 B13R1.589 NC(=O)CC1=C(C=CC=C1)[N+](=O)[O-] Z33546960 [0,0,0,0,0,1|2,0,1]=4 148 B13R1.589 NC(=O)NC1=C(C=CC=C1)C(=O)O Z239135034 [0,0,0,0,0,1|1,0,0]=2 149 B13R1.589 NC(=O)NC1=C(C=CC=C1)[N+](=O)[O-] Z166687108 [0,0,0,0,0,1|2,0,1]=4 150 B13R1.589 O=C(O)C1=C(C=CC=C1)OC(F)F Z56946844 [0,0,0,0,0,1|2,0,1]=4 151 B13R1.589 O=C(O)C1=C(C=CC=C1)SC(F)F Z57046945 [0,0,0,0,0,1|2,0,1]=4 152 B13R1.589 O=C(O)CC1=C(C=CC=C1)C(=O)O Z104474214 [0,0,0,0,0,1|0,0,0]=1 153 B13R1.589 O=C(O)CC1=C(C=CC=C1)[N+](=O)[O-] Z57270339 [0,0,0,0,0,1|1,0,1]=3 154 B10R1.20 C#CC1=C(C=CC=C1)C=O Z1255373145 [2,0,0,0,0,0|1,0,1]=4 155 B10R1.20 C=CC1=C(C=CC=N1)C=O Z1198169175 [2,0,0,0,0,0|2,0,0]=4 156 B10R1.20 CCC1=C(C=CC=C1)C=O Z979776466 [2,0,0,0,0,0|1,0,1]=4 157 B10R1.20 CNC1=C(C=CC=C1)C=O Z1203730947 [2,0,0,0,0,0|2,0,0]=4 158 B10R1.20 COC1=C(C=CC=C1)C=O Z53833342 [2,0,0,0,0,0|2,0,0]=4 159 B10R1.20 N#CC1=C(C=CC=C1)C=O Z147641756 [2,0,0,0,0,0|1,0,1]=4 160 B10R1.20 O=CC1=C(C=CC=C1)C=O Z104494958 [2,0,0,0,0,0|0,0,0]=2 161 B10R1.20 O=CC1=C(C=CC=C1)CO Z1216844620 [2,0,0,0,0,0|0,0,1]=3 162 B10R1.61 CC(=O)C1=C(C=CC=C1)Br Z219997444 [2,0,0,0,0,0|2,0,0]=4 163 B10R1.61 CC(=O)C1=C(C=CC=C1)Cl Z104473116 [2,0,0,0,0,0|2,0,0]=4 164 B10R1.61 CC(=O)C1=C(C=CC=C1)F Z104475574 [2,0,0,0,0,0|2,0,0]=4 165 B10R1.61 CC(=O)C1=C(C=CC=C1)I Z1080378952 [2,0,0,0,0,0|2,0,0]=4 166 B10R1.61 CC(=O)C1=C(C=CC=C1)O Z57101014 [2,0,0,0,0,0|1,0,0]=3 167 B10R1.61 CC(=O)C1=C(C=CC=N1)O Z1198175942 [2,0,0,0,0,0|2,0,0]=4 168 B10R1.61 CC(=O)C1=C(C=NC=C1)O Z1255445560 [2,0,0,0,0,0|2,0,0]=4 169 B10R1.61 CC1=C(C=CC=C1)C(=O)O Z104495626 [2,0,0,0,0,0|0,0,1]=3 170 B10R1.61 CC1=C(C=CC=N1)C(=O)O Z1276602308 [2,0,0,0,0,0|1,0,1]=4 171 B10R1.61 CC1=C(C=CN=C1)C(=O)O Z1708090074 [2,0,0,0,0,0|1,0,1]=4 172 B10R1.61 CC1=C(C=NC=C1)C(=O)O Z199468010 [2,0,0,0,0,0|1,0,1]=4 173 B10R1.61 CC1=C(N=CC=C1)C(=O)O Z976634736 [2,0,0,0,0,0|1,0,1]=4 174 B10R1.61 N=C(N)C1=C(C=CC=C1)O Z1431002716 [2,0,0,0,0,0|2,0,0]=4 175 B10R1.61 NC(=O)C1=C(C=CC=C1)Cl Z33546379 [2,0,0,0,0,0|2,0,0]=4 176 B10R1.61 NC(=O)C1=C(C=CC=C1)F Z33546498 [2,0,0,0,0,0|2,0,0]=4 177 B10R1.61 NC(=O)C1=C(C=CC=C1)I Z33546623 [2,0,0,0,0,0|2,0,0]=4 178 B10R1.61 NC(=O)C1=C(C=CC=C1)N Z57036632 [2,0,0,0,0,0|2,0,0]=4 179 B10R1.61 NC(=O)C1=C(C=CC=C1)O Z68590124 [2,0,0,0,0,0|1,0,0]=3 180 B10R1.61 NC(=O)C1=C(C=CN=C1)O Z1198177193 [2,0,0,0,0,0|2,0,0]=4 181 B10R1.61 NC1=C(C=CC=N1)C(=O)O Z104475724 [2,0,0,0,0,0|2,0,0]=4 182 B10R1.61 NC1=C(C=CN=C1)C(=O)O Z414314668 [2,0,0,0,0,0|2,0,0]=4 183 B10R1.61 NC1=C(C=NC=C1)C(=O)O Z1167043563 [2,0,0,0,0,0|2,0,0]=4 184 B10R1.61 NC1=C(N=CC=C1)C(=O)O Z1201619040 [2,0,0,0,0,0|2,0,0]=4 185 B10R1.61 O=C(O)C1=C(C=CC=C1)Br Z57825381 [2,0,0,0,0,0|1,0,0]=3 186 B10R1.61 O=C(O)C1=C(C=CC=C1)Cl Z57127537 [2,0,0,0,0,0|1,0,0]=3 187 B10R1.61 O=C(O)C1=C(C=CC=C1)F Z57914061 [2,0,0,0,0,0|1,0,0]=3 188 B10R1.61 O=C(O)C1=C(C=CC=C1)I Z57637028 [2,0,0,0,0,0|1,0,0]=3 189 B10R1.61 O=C(O)C1=C(C=CC=C1)O Z56757226 [2,0,0,0,0,0|0,0,0]=2 190 B10R1.61 O=C(O)C1=C(C=CC=C1)S Z104477754 [2,0,0,0,0,0|0,1,0]=3 191 B10R1.61 O=C(O)C1=C(C=CC=N1)Cl Z1203161828 [2,0,0,0,0,0|2,0,0]=4 192 B10R1.61 O=C(O)C1=C(C=CC=N1)O Z608353738 [2,0,0,0,0,0|1,0,0]=3 193 B10R1.61 O=C(O)C1=C(C=NC=C1)Br Z1238800040 [2,0,0,0,0,0|2,0,0]=4 194 B10R1.61 O=C(O)C1=C(C=NC=C1)Cl Z1255387391 [2,0,0,0,0,0|2,0,0]=4 195 B10R1.61 O=C(O)C1=C(C=NC=C1)F Z1270326283 [2,0,0,0,0,0|2,0,0]=4 196 B10R1.61 O=C(O)C1=C(C=NC=C1)I Z1269217659 [2,0,0,0,0,0|2,0,0]=4 197 B10R1.61 O=C(O)C1=C(N=CC=C1)Br Z926900218 [2,0,0,0,0,0|2,0,0]=4 198 B10R1.61 O=C(O)C1=C(N=CC=C1)Cl Z104474538 [2,0,0,0,0,0|2,0,0]=4 199 B10R1.61 O=C(O)C1=C(N=CC=C1)F Z1203161997 [2,0,0,0,0,0|2,0,0]=4 200 B10R1.61 O=C(O)C1=C(N=CC=C1)I Z1269167145 [2,0,0,0,0,0|2,0,0]=4 201 B10R1.61 O=C(O)C1=C(N=CC=C1)S Z203045100 [2,0,0,0,0,0|1,1,0]=4 202 B10R1.61 O=C(O)C1=CC=CNC1=O Z57012260 [2,0,0,0,0,0|1,0,0]=3 203 B10R1.61 O=C(O)C1=CC=NNC1=O Z1198168921 [2,0,0,0,0,0|2,0,0]=4 204 B10R1.61 O=C(O)C1=CNC=CC1=O Z1869802012 [2,0,0,0,0,0|1,0,0]=3 205 B10R1.61 O=C(O)C1=CNC=NC1=O Z1350606493 [2,0,0,0,0,0|2,0,0]=4 206 B10R1.61 O=C(O)C1=CNN=CC1=O Z2510259337 [2,0,0,0,0,0|2,0,0]=4 207 B10R1.61 O=C(O)C1=NNC=CC1=O Z1205496521 [2,0,0,0,0,0|2,0,0]=4 208 B10R1.61 O=C(O)C1=[N+](C=CC=C1)[O-] Z147642478 [2,0,0,0,0,0|1,0,1]=4 209 B10R1.61 OB(O)C1=C(C=CC=C1)O Z1201620791 [2,0,0,0,0,0|1,0,1]=4 210 B12R1.46 CC(=O)C1=C(C=CC(=C1)Br)C=O Z3325945636 [1,1,0,0,0,0|1,0,0]=3 211 B12R1.46 CC(=O)C1=C(C=CC(=C1)C)C=O Z1511772024 [1,1,0,0,0,0|1,0,0]=3 212 B12R1.46 CC1=CC(=C(C=C1)C=O)C(=O)O Z1262549641 [1,1,0,0,0,0|0,0,0]=2 213 B12R1.46 CCC1=C(C=C(C=C1)Br)C(=O)O Z1269239111 [1,1,0,0,0,0|1,0,1]=4 214 B12R1.46 CCC1=C(C=C(C=C1)C)C(=O)O Z1551918805 [1,1,0,0,0,0|1,0,1]=4 215 B12R1.46 CCC1=C(C=C(C=C1)F)C(=O)O Z1255427041 [1,1,0,0,0,0|1,0,1]=4 216 B12R1.46 CNC1=C(C=C(C=C1)Cl)C(=O)O Z111833878 [1,1,0,0,0,0|2,0,0]=4 217 B12R1.46 CNC1=C(C=C(C=C1)F)C(=O)O Z1080487080 [1,1,0,0,0,0|2,0,0]=4 218 B12R1.46 COC1=C(C=C(C=C1)Br)C(=O)O Z57915930 [1,1,0,0,0,0|2,0,0]=4 219 B12R1.46 COC1=C(C=C(C=C1)C)C(=O)O Z94601371 [1,1,0,0,0,0|2,0,0]=4 220 B12R1.46 COC1=C(C=C(C=C1)Cl)C(=O)O Z104480402 [1,1,0,0,0,0|2,0,0]=4 221 B12R1.46 COC1=C(C=C(C=C1)F)C(=O)O Z234894074 [1,1,0,0,0,0|2,0,0]=4 222 B12R1.46 COC1=C(C=C(C=C1)N)C(=O)O Z2327883809 [1,1,0,0,0,0|2,0,0]=4 223 B12R1.46 COC1=C(C=C(C=C1)O)C(=O)O Z1198279013 [1,1,0,0,0,0|2,0,0]=4 224 B12R1.46 CSC1=C(C=C(C=C1)Br)C(=O)O Z1269196188 [1,1,0,0,0,0|2,0,0]=4 225 B12R1.46 CSC1=C(C=C(C=C1)N)C(=O)O Z732208930 [1,1,0,0,0,0|2,0,0]=4 226 B12R1.46 O=CC1=C(C=C(C=C1)Br)C(=O)O Z1269149480 [1,1,0,0,0,0|0,0,0]=2 227 B12R1.46 O=CC1=C(C=C(C=C1)Br)[N+](=O)[O-] Z1269242155 [1,1,0,0,0,0|1,0,1]=4 228 B12R1.46 O=CC1=C(C=C(C=C1)Cl)C(=O)O Z1198170017 [1,1,0,0,0,0|0,0,0]=2 229 B12R1.46 O=CC1=C(C=C(C=C1)Cl)[N+](=O)[O-] Z1255402836 [1,1,0,0,0,0|1,0,1]=4 230 B12R1.46 O=CC1=C(C=C(C=C1)F)C(=O)O Z1198309556 [1,1,0,0,0,0|0,0,0]=2 231 B12R1.46 O=CC1=C(C=C(C=C1)F)[N+](=O)[O-] Z1198157443 [1,1,0,0,0,0|1,0,1]=4 232 B12R1.57 CC(=O)C1=C(C=C(C=C1)Br)C=O Z3325945176 [1,1,0,0,0,0|1,0,0]=3 233 B12R1.57 CC(=O)C1=C(C=C(C=C1)C)C=O Z1216844636 [1,1,0,0,0,0|1,0,0]=3 234 B12R1.57 CC1=CC(=C(C=C1)[N+](=O)[O-])C=O Z1198181684 [1,1,0,0,0,0|1,0,1]=4 235 B12R1.57 CCC1=C(C=CC(=C1)C)C(=O)O Z1551931508 [1,1,0,0,0,0|1,0,1]=4 236 B12R1.57 CCC1=C(C=CC(=C1)Cl)C(=O)O Z1255426327 [1,1,0,0,0,0|1,0,1]=4 237 B12R1.57 CCC1=C(C=CC(=C1)F)C(=O)O Z1255422782 [1,1,0,0,0,0|1,0,1]=4 238 B12R1.57 CNC1=C(C=CC(=C1)Cl)C(=O)O Z1082851880 [1,1,0,0,0,0|2,0,0]=4 239 B12R1.57 CNC1=C(C=CC(=C1)F)C(=O)O Z1198310366 [1,1,0,0,0,0|2,0,0]=4 240 B12R1.57 CNC1=C(C=CC(=C1)I)C(=O)O Z2235409276 [1,1,0,0,0,0|2,0,0]=4 241 B12R1.57 COC1=C(C=CC(=C1)Br)C(=O)O Z405053816 [1,1,0,0,0,0|2,0,0]=4 242 B12R1.57 COC1=C(C=CC(=C1)C)C(=O)O Z118458672 [1,1,0,0,0,0|2,0,0]=4 243 B12R1.57 COC1=C(C=CC(=C1)Cl)C(=O)O Z118458694 [1,1,0,0,0,0|2,0,0]=4 244 B12R1.57 COC1=C(C=CC(=C1)I)C(=O)O Z1269240360 [1,1,0,0,0,0|2,0,0]=4 245 B12R1.57 COC1=C(C=CC(=C1)N)C(=O)O Z1188346095 [1,1,0,0,0,0|2,0,0]=4 246 B12R1.57 CSC1=C(C=CC(=C1)Br)C(=O)O Z1492496043 [1,1,0,0,0,0|2,0,0]=4 247 B12R1.57 CSC1=C(C=CC(=C1)C)C(=O)O Z995154338 [1,1,0,0,0,0|2,0,0]=4 248 B12R1.57 CSC1=C(C=CC(=C1)F)C(=O)O Z228584388 [1,1,0,0,0,0|2,0,0]=4 249 B12R1.57 N#CC1=C(C=CC(=C1)Br)C(=O)O Z1269175126 [1,1,0,0,0,0|1,0,1]=4 250 B12R1.57 O=CC1=C(C=CC(=C1)Br)C(=O)O Z1269230118 [1,1,0,0,0,0|0,0,0]=2 251 B12R1.57 O=CC1=C(C=CC(=C1)Br)[N+](=O)[O-] Z1269108736 [1,1,0,0,0,0|1,0,1]=4 252 B12R1.57 O=CC1=C(C=CC(=C1)Cl)[N+](=O)[O-] Z1236003426 [1,1,0,0,0,0|1,0,1]=4 253 B12R1.57 O=CC1=C(C=CC(=C1)F)C(=O)O Z1262555646 [1,1,0,0,0,0|0,0,0]=2 254 B12R1.57 O=CC1=C(C=CC(=C1)F)[N+](=O)[O-] Z1201619355 [1,1,0,0,0,0|1,0,1]=4 255 B12R1.57 O=CC1=C(C=CC(=C1)O)[N+](=O)[O-] Z1255390569 [1,1,0,0,0,0|1,0,1]=4 256 B12R1.76 CC(C)(O)C1=C(C=CC=C1)C=O Z1511758915 [1,1,0,0,0,0|1,0,1]=4 257 B12R1.76 O=CC1=C(C=CC=C1)S(=O)(=O)Cl Z959662504 [1,1,0,0,0,0|1,0,1]=4 258 B12R1.76 O=S(=O)(O)C1=C(C=CC=C1)CO Z2239077794 [1,1,0,0,0,0|1,0,1]=4 259 B12R1.77 CNC(=O)C1=C(C=CC=C1)C=O Z1068186268 [1,1,0,0,0,0|1,0,0]=3 260 B12R1.77 CNC1=C(C=CC=C1)C(=O)OC Z53836967 [1,1,0,0,0,0|2,0,0]=4 261 B12R1.77 COC(=O)C1=C(C=CC=C1)C#N Z1201617254 [1,1,0,0,0,0|1,0,1]=4 262 B12R1.77 COC(=O)C1=C(C=CC=C1)C=O Z54125420 [1,1,0,0,0,0|0,0,0]=2 263 B12R1.77 COC(=O)C1=C(C=CC=C1)CN Z1741964949 [1,1,0,0,0,0|1,0,1]=4 264 B12R1.77 COC(=O)C1=C(C=CC=C1)NN Z1601562312 [1,1,0,0,0,0|2,0,0]=4 265 B12R1.77 COC(=O)C1=C(C=CC=C1)SC Z25302675 [1,1,0,0,0,0|2,0,0]=4 266 B12R1.77 COC(=O)C1=C(C=CC=N1)C=O Z1198311042 [1,1,0,0,0,0|1,0,0]=3 267 B12R1.77 COC(=O)C1=C(N=CC=C1)C=O Z1198309070 [1,1,0,0,0,0|1,0,0]=3 268 B12R1.87 CC1=C(C(=CC=C1)C(=O)O)C#N Z1255438259 [1,1,0,0,0,0|1,0,1]=4 269 B12R1.87 CCC1=C(C=CC=C1C)C(=O)O Z1262518625 [1,1,0,0,0,0|1,0,1]=4 270 B12R1.87 CNC1=C(C=CC=C1F)C(=O)O Z994471522 [1,1,0,0,0,0|2,0,0]=4 271 B12R1.87 CNC1=C(C=CC=C1N)C(=O)O Z2940715367 [1,1,0,0,0,0|2,0,0]=4 272 B12R1.87 COC1=C(C=CC=C1F)C(=O)O Z994470772 [1,1,0,0,0,0|2,0,0]=4 273 B12R1.87 CSC1=C(C=CC=C1Br)C(=O)O Z1269122928 [1,1,0,0,0,0|2,0,0]=4 274 B12R1.87 CSC1=C(C=CC=C1F)C(=O)O Z994476898 [1,1,0,0,0,0|2,0,0]=4 275 B12R1.87 N#CC1=C(C=CC=C1F)C(=O)O Z1255421322 [1,1,0,0,0,0|1,0,1]=4 276 B12R1.87 NC1=C(C(=CC=C1)[N+](=O)[O-])C=O Z1255418982 [1,1,0,0,0,0|1,0,1]=4 277 B12R1.87 O=CC1=C(C=CC=C1Br)[N+](=O)[O-] Z235345537 [1,1,0,0,0,0|1,0,1]=4 278 B12R1.87 O=CC1=C(C=CC=C1Cl)C(=O)O Z1198309548 [1,1,0,0,0,0|0,0,0]=2 279 B12R1.87 O=CC1=C(C=CC=C1F)C(=O)O Z1198727784 [1,1,0,0,0,0|0,0,0]=2 280 B12R1.87 O=CC1=C(C=CC=C1O)C(=O)O Z1255385760 [1,1,0,0,0,0|0,0,0]=2 281 B12R1.283 CCCC1=C(C=CC=C1)C(=O)O Z1255462246 [1,1,0,0,0,0|1,0,1]=4 282 B12R1.283 CCOC1=C(C=CC=C1)C(=O)O Z104478128 [1,1,0,0,0,0|1,0,1]=4 283 B12R1.283 COCC1=C(C=CC=C1)C(=O)N Z365255872 [1,1,0,0,0,0|1,0,1]=4 284 B12R1.283 COCC1=C(C=CC=C1)C(=O)O Z359517772 [1,1,0,0,0,0|0,0,1]=3 285 B12R1.283 COCC1=C(N=CC=C1)C(=O)O Z4742339690 [1,1,0,0,0,0|1,0,1]=4 286 B12R1.283 N#CCC1=C(C=CC=C1)C(=O)O Z56946849 [1,1,0,0,0,0|1,0,1]=4 287 B12R1.283 NCCC1=C(C=CC=C1)C(=O)O Z1431905053 [1,1,0,0,0,0|1,0,1]=4 288 B12R1.283 O=CNC1=C(C=CC=C1)[N+](=O)[O-] Z1255360640 [1,1,0,0,0,0|1,0,1]=4 289 B12R1.437 CC(=O)C1=C(C=CC=C1C)C=O Z1216844634 [1,1,0,0,0,0|1,0,0]=3 290 B12R1.437 CC1=C(C(=CC=C1)C=O)C(=O)O Z1198726850 [1,1,0,0,0,0|0,0,0]=2 291 B12R1.437 CC1=C(C(=CC=C1)C=O)[N+](=O)[O-] Z1198181686 [1,1,0,0,0,0|1,0,1]=4 292 B12R1.437 CCC1=C(C(=CC=C1)C)C(=O)O Z1198167150 [1,1,0,0,0,0|1,0,1]=4 293 B12R1.437 CCC1=C(C(=CC=C1)F)C(=O)O Z1255452969 [1,1,0,0,0,0|1,0,1]=4 294 B12R1.437 COC1=C(C(=CC=C1)C)C(=O)O Z1198153665 [1,1,0,0,0,0|2,0,0]=4 295 B12R1.437 COC1=C(C(=CC=C1)Cl)C(=O)O Z335441678 [1,1,0,0,0,0|2,0,0]=4 296 B12R1.437 COC1=C(C(=CC=C1)F)C(=O)O Z1203161974 [1,1,0,0,0,0|2,0,0]=4 297 B12R1.437 COC1=C(C(=CC=C1)I)C(=O)O Z1269175202 [1,1,0,0,0,0|2,0,0]=4 298 B12R1.437 COC1=C(C(=CC=C1)N)C(=O)O Z1201621530 [1,1,0,0,0,0|2,0,0]=4 299 B12R1.437 O=CC1=C(C(=CC=C1)Br)C(=O)O Z3003279416 [1,1,0,0,0,0|0,0,0]=2 300 B12R1.437 O=CC1=C(C(=CC=C1)Cl)C(=O)O Z1198309744 [1,1,0,0,0,0|0,0,0]=2 301 B12R1.437 O=CC1=C(C(=CC=C1)Cl)[N+](=O)[O-] Z1198170718 [1,1,0,0,0,0|1,0,1]=4 302 B12R1.437 O=CC1=C(C(=CC=C1)F)C(=O)O Z1982438545 [1,1,0,0,0,0|0,0,0]=2 303 B12R1.437 O=CC1=C(C(=CC=C1)F)[N+](=O)[O-] Z1198314267 [1,1,0,0,0,0|1,0,1]=4 304 B12R1.437 O=CC1=CC=CC(=C1[N+](=O)[O-])O Z1255446860 [1,1,0,0,0,0|1,0,1]=4 305 B12R1.368 COC(=O)C1=C(C=CN1)C(=O)O Z5593358295 [0,1,0,0,1,0|1,0,0]=3 306 B12R1.368 COC(=O)C1=C(C=CS1)C(=O)O Z1262517519 [0,1,0,0,1,0|1,0,0]=3 307 B12R1.368 COC(=O)C1=C(OC=C1)C(=O)O Z1889706994 [0,1,0,0,1,0|1,0,0]=3 308 B12R1.368 COC(=O)C1=CNN=C1C(=O)O Z1262529404 [0,1,0,0,1,0|2,0,0]=4 309 B12R1.368 COC(=O)C1=COC=C1C(=O)O Z1262511791 [0,1,0,0,1,0|1,0,0]=3 310 B12R1.368 COC(=O)C1=CSC=C1C(=O)O Z1262514542 [0,1,0,0,1,0|1,0,0]=3 311 B12R1.498 CC1=C(C(=NN1)C(=O)O)C(=O)O Z1262517399 [0,1,0,0,1,0|2,0,0]=4 312 B12R1.850 CC1=NC(=C(N1)C(=O)O)C(=O)O Z1198150718 [0,1,0,0,1,0|2,0,0]=4 313 B14R1.164 CC(=O)NC1=C(C=CC(=C1)Br)C(=O)O Z607862306 [0,1,0,0,0,1|1,0,0]=3 314 B14R1.164 CC(=O)NC1=C(C=CC(=C1)Cl)C(=O)O Z85915745 [0,1,0,0,0,1|1,0,0]=3 315 B14R1.164 CC(=O)NC1=C(C=CC(=C1)F)C(=O)O Z133263888 [0,1,0,0,0,1|1,0,0]=3 316 B14R1.164 CC(=O)OC1=C(C=CC(=C1)C)C(=O)O Z1251413637 [0,1,0,0,0,1|1,0,0]=3 317 B14R1.164 NC(=O)NC1=C(C=CC(=C1)Cl)C(=O)O Z239134770 [0,1,0,0,0,1|1,0,0]=3 318 B14R1.164 O=C(O)CC1=C(C=CC(=C1)Br)C(=O)O Z1258932136 [0,1,0,0,0,1|0,0,0]=2 319 B14R1.429 CC(=O)N(C)C1=C(C=CC=C1)C(=O)O Z220639108 [0,1,0,0,0,1|1,0,0]=3 320 B14R1.744 CNC(=O)C1=C(C=CC=C1)NC(=O)C Z99498865 [0,1,0,0,0,1|2,0,0]=4 321 B14R1.744 COC(=O)C1=C(C=CC=C1)CC(=O)O Z1262511329 [0,1,0,0,0,1|0,0,0]=2 322 B14R1.3302 C=CC(=O)NC1=C(C=CC=C1)C(=O)O Z316089774 [0,1,0,0,0,1|1,0,0]=3 323 B14R1.3302 CC(=O)C1=C(C=CC=C1)NC(=O)CCl Z56886527 [0,1,0,0,0,1|2,0,0]=4 324 B14R1.3302 CCC(=O)NC1=C(C=CC=C1)C(=O)O Z85878916 [0,1,0,0,0,1|1,0,0]=3 325 B14R1.3302 COC(=O)CC1=C(C=CC=C1)C(=O)O Z1198154414 [0,1,0,0,0,1|0,0,0]=2 326 B14R1.3302 COC(=O)NC1=C(C=CC=C1)C(=O)O Z192948536 [0,1,0,0,0,1|0,0,0]=2 327 B14R1.3302 NC(=O)C1=C(C=CC=C1)NC(=O)CCl Z56862614 [0,1,0,0,0,1|2,0,0]=4 328 B14R1.3302 O=C(CCl)NC1=C(C=CC=C1)C(=O)O Z56891406 [0,1,0,0,0,1|1,0,0]=3 329 B14R1.4894 CC(=O)NC1=C(C=CC=C1C)C(=O)O Z221300464 [0,1,0,0,0,1|1,0,0]=3 330 B14R1.4894 CC(=O)NC1=C(C=CC=C1Cl)C(=O)O Z916919184 [0,1,0,0,0,1|1,0,0]=3 331 B14R1.4894 O=C(O)CC1=C(C=CC=C1Cl)C(=O)O Z1269110325 [0,1,0,0,0,1|0,0,0]=2 332 B14R1.4926 CC(=O)NC1=C(C(=CC=C1)F)C(=O)O Z424765890 [0,1,0,0,0,1|1,0,0]=3 333 B14R1.4926 NC(=O)NC1=C(C(=CC=C1)F)C(=O)O Z424767664 [0,1,0,0,0,1|1,0,0]=3 334 B14R1.6074 CC(=O)OC1=C(C=C(C=C1)C)C(=O)O Z415652776 [0,1,0,0,0,1|1,0,0]=3 335 B14R1.6074 CC(=O)OC1=C(C=C(C=C1)Cl)C(=O)O Z991517134 [0,1,0,0,0,1|1,0,0]=3 336 B14R1.6074 NC(=O)NC1=C(C=C(C=C1)Br)C(=O)O Z927386356 [0,1,0,0,0,1|1,0,0]=3 337 B14R1.6312 CS(=O)(=O)CC1=C(C=CC=C1)C(=O)O Z732206740 [0,1,0,0,0,1|1,0,1]=4 338 B14R1.6312 CS(=O)(=O)NC1=C(C=CC=C1)C(=O)O Z53825030 [0,1,0,0,0,1|1,0,1]=4 339 B14R1.104 COC1=CC(=C(C=C1)C(=O)O)C(=O)O Z600412508 [0,2,0,0,0,0|0,0,0]=2 340 B14R1.104 COC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)O Z90146674 [0,2,0,0,0,0|1,0,1]=4 341 B14R1.104 CSC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)O Z166630210 [0,2,0,0,0,0|1,0,1]=4 342 B14R1.104 O=CC1=CC(=C(C=C1)C(=O)O)C(=O)O Z1262527278 [0,2,0,0,0,0|0,0,0]=2 343 B14R1.707 COC(=O)C1=C(C=CC(=C1)Cl)C(=O)C Z1725938655 [0,2,0,0,0,0|1,0,0]=3 344 B14R1.707 COC(=O)C1=C(C=CC(=C1)Cl)[N+](=O)[O-] Z18530725 [0,2,0,0,0,0|1,0,1]=4 345 B14R1.707 COC(=O)C1=C(C=CC(=C1)F)[N+](=O)[O-] Z600398360 [0,2,0,0,0,0|1,0,1]=4 346 B14R1.707 COC(=O)C1=C(C=CC(=C1)O)[N+](=O)[O-] Z1172114095 [0,2,0,0,0,0|1,0,1]=4 347 B14R1.1126 COC(=O)C1=C(C=C(C=C1)O)[N+](=O)[O-] Z1255452625 [0,2,0,0,0,0|1,0,1]=4 348 B14R1.3146 CC1=C(C(=CC(=C1)Cl)[N+](=O)[O-])C(=O)O Z1815156876 [0,2,0,0,0,0|1,0,1]=4 349 B14R1.3146 CC1=C(C(=CC(=C1)F)C(=O)O)[N+](=O)[O-] Z1816233862 [0,2,0,0,0,0|1,0,1]=4 350 B14R1.3146 O=C(O)C1=C(C=C(C=C1Cl)Cl)[N+](=O)[O-] Z1993723399 [0,2,0,0,0,0|1,0,1]=4 351 B14R1.6027 O=C(O)C1=C(C=C(C(=C1)Cl)Cl)C(=O)O Z57127450 [0,2,0,0,0,0|0,0,0]=2 352 B14R1.6027 O=C(O)C1=C(C=C(C(=C1)F)F)C(=O)O Z335437574 [0,2,0,0,0,0|0,0,0]=2 353 B14R1.6027 O=C(O)C1=C(C=C(C(=C1)F)F)[N+](=O)[O-] Z905162660 [0,2,0,0,0,0|1,0,1]=4 354 B14R1.6051 CC1=CC(=C(C=C1)S(=O)(=O)N)C(=O)O Z1405388059 [0,2,0,0,0,0|1,0,1]=4 355 B14R1.6051 CS(=O)(=O)C1=C(C=C(C=C1)N)C(=O)O Z5596422620 [0,2,0,0,0,0|1,0,1]=4 356 B14R1.6051 NS(=O)(=O)C1=C(C=C(C=C1)F)C(=O)O Z1493065042 [0,2,0,0,0,0|1,0,1]=4 357 B14R1.6060 CC1=C(C(=C(C=C1)[N+](=O)[O-])C(=O)O)C Z2768197079 [0,2,0,0,0,0|1,0,1]=4 358 B14R1.6060 O=C(O)C1=C(C(=C(C=C1)F)F)C(=O)O Z1681341906 [0,2,0,0,0,0|0,0,0]=2 359 B14R1.878 CSC1=C(C(=CC=C1)C(=O)O)[N+](=O)[O-] Z1507593457 [0,2,0,0,0,0|1,0,1]=4 360 B14R1.1153 COC(=O)C1=C(C(=CC=C1)O)[N+](=O)[O-] Z1198265948 [0,2,0,0,0,0|1,0,1]=4 361 B14R1.5957 CS(=O)(=O)C1=C(C(=CC=C1)Cl)C(=O)O Z1541762595 [0,2,0,0,0,0|1,0,1]=4 362 B14R1.317 CCS(=O)(=O)C1=C(C=CC=C1)C(=O)O Z90122119 [0,2,0,0,0,0|1,0,1]=4 363 B14R1.745 COC(=O)C1=C(C=CC=C1)S(=O)(=O)Cl Z56867243 [0,2,0,0,0,0|1,0,1]=4 364 B14R1.745 COC(=O)C1=C(C=CC=C1)S(=O)(=O)F Z2216561476 [0,2,0,0,0,0|1,0,1]=4 365 B14R1.745 COC(=O)C1=C(C=CC=C1)S(=O)(=O)N Z45415592 [0,2,0,0,0,0|1,0,1]=4 366 B14R1.746 COC(=O)C1=C(C=CC=C1)C(=O)OC Z57902306 [0,2,0,0,0,0|0,0,0]=2 367 B14R1.746 COC(=O)C1=C(C=NC=C1)C(=O)OC Z1255356418 [0,2,0,0,0,0|1,0,0]=3 368 B12R1.226 CC1=CC(=CC=C1)/C=C/C(=O)O Z2942851787 [0,0,1,1,0,0|2,0,0]=4 369 B12R1.226 NC1=CC(=CC=C1)/C=C/C(=O)O Z2942853438 [0,0,1,1,0,0|2,0,0]=4 370 B12R1.226 O=C(O)/C=C/C1=CC(=CC=C1)Br Z2312942093 [0,0,1,1,0,0|2,0,0]=4 371 B12R1.226 O=C(O)/C=C/C1=CC(=CC=C1)Cl Z2573655238 [0,0,1,1,0,0|2,0,0]=4 372 B12R1.226 O=C(O)/C=C/C1=CC(=CC=C1)F Z2935925467 [0,0,1,1,0,0|2,0,0]=4 373 B12R1.226 O=C(O)/C=C/C1=CC(=CC=C1)O Z247613734 [0,0,1,1,0,0|1,0,0]=3 374 B12R1.226 O=C(O)/C=C/C1=CC(=CN=C1)O Z1518653071 [0,0,1,1,0,0|2,0,0]=4 375 B12R1.226 O=C(O)/C=C/C1=CC(=NC=C1)O Z2633787192 [0,0,1,1,0,0|2,0,0]=4 376 B12R1.226 O=C(O)/C=C/C1=NC(=CC=C1)Cl Z1255503511 [0,0,1,1,0,0|2,0,0]=4 377 B12R1.392 O=C(O)CC1=C(C=CO1)C(=O)O Z316122156 [0,0,1,1,0,0|1,0,1]=4 378 B12R1.392 O=C(O)CC1=CSC=C1C(=O)O Z1262560659 [0,0,1,1,0,0|1,0,1]=4 379 B12R1.124 C=C(C(=O)O)C1=C(C=CC=C1)F Z1255374937 [0,0,1,1,0,0|2,0,0]=4 380 B12R1.11 O=CC1=CC(=CC(=C1)C(=O)O)O Z1255441210 [0,0,1,1,0,0|2,0,0]=4 381 B12R2.1081 O=C1COCC2=C1C=CC=C2 Z1201625145 [1,0,0,1,0,0|1,0,1]=4 382 B12R2.1081 O=C1NC=CC2=C1C=CC=C2 Z56960237 [1,0,0,1,0,0|2,0,0]=4 383 B12R2.1081 O=C1NN=CC2=C1C=CC=C2 Z48957540 [1,0,0,1,0,0|2,0,0]=4 384 B12R2.1081 O=C1OC=CC2=C1C=CC=C2 Z1198175817 [1,0,0,1,0,0|1,0,0]=3 385 B12R2.1081 O=C1OC=CC2=C1N=CC=C2 Z1127388775 [1,0,0,1,0,0|2,0,0]=4 386 B12R2.1081 OC1=C2C=CC=CC2=CC=C1 Z104474036 [1,0,0,1,0,0|2,0,0]=4 387 B12R2.1081 OC1=C2C=CC=CC2=CN=C1 Z1198152661 [1,0,0,1,0,0|2,0,0]=4 388 B12R2.2028 NC1=NC(=O)C2=C1C=CC=C2 Z316121514 [1,0,0,1,0,0|2,0,0]=4 389 B12R2.2028 O=C1CC(=O)C2=C1C=CC=C2 Z57131040 [1,0,0,1,0,0|1,0,0]=3 390 B12R2.2028 O=C1NC(=O)C2=C1C=CC=C2 Z57127356 [1,0,0,1,0,0|1,0,0]=3 391 B12R2.2028 O=C1NC(=O)C2=C1C=CC=N2 Z275364976 [1,0,0,1,0,0|2,0,0]=4 392 B12R2.2028 O=C1NC(=O)C2=C1C=CN=C2 Z1123701770 [1,0,0,1,0,0|2,0,0]=4 393 B12R2.2028 O=C1OC(=O)C2=C1C=CC=N2 Z235344909 [1,0,0,1,0,0|1,0,0]=3 394 B12R2.2028 O=C1OC(C2=C1C=CC=C2)O Z104507040 [1,0,0,1,0,0|0,0,1]=3 395 B14R2.287 O=C1CCC(=O)C2=C(N1)C=CC=C2 Z1198159646 [0,0,0,1,0,1|2,0,0]=4 396 B14R2.287 O=C1CNC(=O)C2=C(N1)C=CC=C2 Z57234677 [0,0,0,1,0,1|2,0,0]=4 397 B14R2.712 CC1=CC2=C(N1)C=CC=C2C(=O)O Z1255404341 [0,0,0,1,0,1|2,0,0]=4 398 B14R2.712 CC1=NC2=C(N1)C=CC=C2C(=O)O Z1079086994 [0,0,0,1,0,1|2,0,0]=4 399 B14R2.712 CC1=NC2=C(O1)C=CC=C2C(=O)O Z1262514370 [0,0,0,1,0,1|1,0,0]=3 400 B14R2.712 NC1=NC2=C(O1)C(=CC=C2)C(=O)O Z3243595564 [0,0,0,1,0,1|2,0,0]=4 401 B14R2.712 NC1=NC2=C(O1)C=CC=C2C(=O)O Z1862023152 [0,0,0,1,0,1|1,0,0]=3 402 B14R2.712 O=C(O)C1=C2N=C(NC2=NC=C1)O Z1613435038 [0,0,0,1,0,1|2,0,0]=4 403 B14R2.712 O=C(O)C1=C2NC(=NC2=CN=C1)O Z2732551053 [0,0,0,1,0,1|2,0,0]=4 404 B14R2.712 O=C(O)C1=C2OC(=NC2=CC=C1)S Z1255391993 [0,0,0,1,0,1|1,1,0]=4 405 B14R2.712 O=C1CC2=C(C=CC=C2N1)C(=O)O Z1198272458 [0,0,0,1,0,1|1,0,0]=3 406 B14R2.712 O=C1CC2=CC=CC(=C2O1)C(=O)O Z1262521063 [0,0,0,1,0,1|1,0,0]=3 407 B14R2.712 O=C1NC2=C(C=CC=C2O1)C(=O)O Z1198315026 [0,0,0,1,0,1|0,0,0]=2 408 B14R2.712 O=C1NC2=C(C=CC=C2O1)[N+](=O)[O-] Z1255356507 [0,0,0,1,0,1|1,0,1]=4 409 B14R2.712 O=C1NC2=CC=CC(=C2N1)C(=O)O Z2168541831 [0,0,0,1,0,1|1,0,0]=3 410 B14R2.712 O=C1NC2=CC=CC(=C2O1)C(=O)O Z1262521113 [0,0,0,1,0,1|1,0,0]=3 411 B14R2.25733 O=C(O)[C@H]1C[C@H](C2=C1C=CC=C2)O Z4512746182 [0,0,0,1,0,1|1,0,1]=4 412 B14R2.25733 O=C1CC(C2=C1C=CC=C2)C(=O)O Z1079167836 [0,0,0,1,0,1|1,0,0]=3 413 B14R2.25733 O=C1NC(C2=C1C=CC=C2)C(=O)O Z1255419749 [0,0,0,1,0,1|1,0,0]=3 414 B14R2.25733 O=C1OC(C2=C1C=CC=C2)C(=O)O Z1198161402 [0,0,0,1,0,1|0,0,0]=2 415 B14R2.8751 O=C1NNC(=O)C2=C1C=CC(=C2)Cl Z1813178453 [0,1,0,1,0,0|2,0,0]=4 416 B14R2.8751 OC1=C2C=CC(=CC2=C(N=N1)O)Br Z1269225487 [0,1,0,1,0,0|2,0,0]=4 417 B14R2.8751 OC1=C2C=CC(=CC2=C(N=N1)O)F Z2512629824 [0,1,0,1,0,0|2,0,0]=4 418 B14R2.8051 NC1=C2C(=O)NNC(=O)C2=CC=C1 Z56813244 [0,1,0,1,0,0|2,0,0]=4 419 B14R2.24350 O=C(O)C1=C2C(=O)CCC2=CC=C1 Z1198224378 [0,1,0,1,0,0|1,0,0]=3 420 B14R2.24350 O=C(O)C1=C2C(=O)NCC2=CC=C1 Z1198323512 [0,1,0,1,0,0|1,0,0]=3 421 B14R2.24350 O=C(O)C1=C2C(=O)NNC2=CC=C1 Z1198148801 [0,1,0,1,0,0|1,0,0]=3 422 B14R2.7724 CC1=CC(=O)C2=C(C1=O)C=CC=C2 Z1255430959 [0,1,0,1,0,0|2,0,0]=4 423 B14R2.7724 CN1C(=O)OC(=O)C2=C1C=CC=C2 Z104485728 [0,1,0,1,0,0|2,0,0]=4 424 B14R2.7724 CN1NC(=O)C2=C(C1=O)C=CC=C2 Z50146900 [0,1,0,1,0,0|2,0,0]=4 425 B14R2.7724 O=C1C=C(C(=O)C2=C1C=CC=C2)O Z104479394 [0,1,0,1,0,0|1,0,0]=3 426 B10R1.39 O=CC1=C(C=CO1)C(=O)O Z1205495058 [1,0,0,0,1,0|1,0,0]=3 427 B10R1.39 O=CC1=C(C=CS1)C(=O)O Z1198155319 [1,0,0,0,1,0|1,0,0]=3 428 B10R1.39 O=CC1=C(NC=C1)C(=O)O Z2894612605 [1,0,0,0,1,0|1,0,0]=3 429 B10R1.39 O=CC1=C(NC=N1)C(=O)O Z2936387970 [1,0,0,0,1,0|2,0,0]=4 430 B10R1.39 O=CC1=C(OC=C1)C(=O)O Z2681280636 [1,0,0,0,1,0|1,0,0]=3 431 B10R1.39 O=CC1=C(SC=C1)C(=O)O Z1198309295 [1,0,0,0,1,0|1,0,0]=3 432 B10R1.39 O=CC1=CNN=C1C(=O)O Z1201627948 [1,0,0,0,1,0|2,0,0]=4 433 B10R1.39 O=CC1=CSC=C1C(=O)O Z1198158839 [1,0,0,0,1,0|1,0,0]=3 434 B12R1.75 CC(=O)NC1=C(C=CC=C1)C=O Z1143235775 [1,0,0,0,0,1|1,0,0]=3 435 B12R1.75 CCC1=C(C=CC=C1)CC(=O)O Z1198264425 [1,0,0,0,0,1|1,0,1]=4 436 B12R1.75 COC1=C(C=CC=C1)CC(=O)O Z104485032 [1,0,0,0,0,1|2,0,0]=4 437 B12R1.75 CSC1=C(C=CC=C1)CC(=O)O Z1255403889 [1,0,0,0,0,1|2,0,0]=4 438 B12R1.75 NCC1=C(C=CC=C1)CC(=O)O Z1198163910 [1,0,0,0,0,1|1,0,1]=4 439 B12R1.75 O=C([O-])CC1=C(C=CC=C1)CO Z1762997367 [1,0,0,0,0,1|0,0,2]=4 440 B12R1.258 CC(=O)C1=CC(=CC=C1)C(=O)O Z1203161684 [0,0,0,0,1,1|1,0,0]=3 441 B12R1.258 CC(=O)C1=CC(=CN=C1)C(=O)O Z1255382323 [0,0,0,0,1,1|2,0,0]=4 442 B12R1.258 CS(=O)C1=CC(=CC=C1)C(=O)O Z1198340914 [0,0,0,0,1,1|2,0,0]=4 443 B12R1.258 NC(=O)C1=CC(=CC=C1)C(=O)O Z295886826 [0,0,0,0,1,1|1,0,0]=3 444 B12R1.258 NC(=O)C1=CC(=CN=C1)C(=O)O Z451348038 [0,0,0,0,1,1|2,0,0]=4 445 B12R1.258 NC(=O)C1=CC=CC(=C1)C(=O)N Z275156916 [0,0,0,0,1,1|2,0,0]=4 446 B12R1.258 NC(=O)C1=NC(=CC=C1)C(=O)O Z431949148 [0,0,0,0,1,1|1,0,0]=3 447 B12R1.258 NC(=O)C1=NC=CC(=C1)C(=O)O Z1255448641 [0,0,0,0,1,1|2,0,0]=4 448 B12R1.258 NC(=S)C1=CC(=CC=C1)C(=O)O Z404889430 [0,0,0,0,1,1|1,1,0]=4 449 B12R1.258 O=C(O)C1=CC(=CC=C1)[N+](=O)[O-] Z57127479 [0,0,0,0,1,1|1,0,1]=4 450 B12R1.258 O=C(O)C1=CC(=NC=C1)C(=O)O Z1236003425 [0,0,0,0,1,1|1,0,0]=3 451 B12R1.258 O=C(O)C1=CC=CC(=C1)B(O)O Z1203161777 [0,0,0,0,1,1|1,0,1]=4 452 B12R1.258 O=C(O)C1=CC=CC(=C1)C(=O)O Z104475158 [0,0,0,0,1,1|0,0,0]=2 453 B12R1.258 O=C(O)C1=CC=CC(=N1)C(=O)O Z57202012 [0,0,0,0,1,1|0,0,0]=2 454 B12R1.258 O=C(O)C1=CN=CC(=C1)C(=O)O Z275127642 [0,0,0,0,1,1|1,0,0]=3 455 B14R1.814 CC(=O)NC1=C(C=CC=C1)CC(=O)O Z992494004 [0,0,0,0,0,2|1,0,0]=3 456 B14R1.814 CC(=O)NC1=C(C=CC=C1)NC(=O)C Z104474294 [0,0,0,0,0,2|2,0,0]=4 457 B14R1.814 NC(=O)CC1=C(C=CC=C1)CC(=O)O Z1262518652 [0,0,0,0,0,2|1,0,0]=3 458 B14R1.4522 CC(=O)C1=C(C=CC=C1)OCC(=O)O Z336079640 [0,0,0,0,0,2|1,0,0]=3 459 B14R1.4522 CC(=O)CSC1=C(C=CC=C1)C(=O)O Z57028528 [0,0,0,0,0,2|1,0,0]=3 460 B14R1.4522 NC(=O)C1=C(C=CC=C1)CCC(=O)O Z1262536383 [0,0,0,0,0,2|1,0,0]=3 461 B14R1.4522 NC(=O)C1=C(C=CC=C1)OCC(=O)O Z56807191 [0,0,0,0,0,2|1,0,0]=3 462 B14R1.4522 NC(=O)CNC1=C(C=CC=C1)C(=O)N Z232511850 [0,0,0,0,0,2|2,0,0]=4 463 B14R1.4522 NC(=O)COC1=C(C=CC=C1)C(=O)O Z57085648 [0,0,0,0,0,2|1,0,0]=3 464 B14R1.4522 NC(=O)COC1=C(N=CC=C1)C(=O)O Z808643236 [0,0,0,0,0,2|2,0,0]=4 465 B14R1.4522 NC(=O)CSC1=C(C=CC=C1)C(=O)O Z55950608 [0,0,0,0,0,2|1,0,0]=3 466 B14R1.4522 O=C(O)/C=C/C1=C(C=CC=C1)[N+](=O)[O-] Z2942852653 [0,0,0,0,0,2|1,0,1]=4 467 B14R1.4522 O=C(O)CCC1=C(C=CC=C1)[N+](=O)[O-] Z426022322 [0,0,0,0,0,2|1,0,1]=4 468 B14R1.4522 O=C(O)CNC1=C(C=CC=C1)[N+](=O)[O-] Z57226712 [0,0,0,0,0,2|1,0,1]=4 469 B14R1.4522 O=C(O)COC1=C(C=CC=C1)[N+](=O)[O-] Z56824600 [0,0,0,0,0,2|1,0,1]=4 470 B14R1.4522 O=C(O)CSC1=C(C=CC=C1)C(=O)O Z149170932 [0,0,0,0,0,2|0,0,0]=2 471 B14R1.4522 O=C(O)CSC1=C(C=CC=C1)[N+](=O)[O-] Z31205652 [0,0,0,0,0,2|1,0,1]=4 472 B14R1.4522 O=C(O)CSC1=C(C=CC=N1)C(=O)O Z71176921 [0,0,0,0,0,2|1,0,0]=3