0 B12R1.261 CC(=O)C1=C(C=CC=C1)C(=O)O Z57158791 [0,0,0,0,0,0|2,0,0]=2 1 B12R1.261 CC(C)C1=C(C=CC=C1)C(=O)O Z1171157998 [0,0,0,0,0,0|3,0,1]=4 2 B12R1.261 CC(C)C1=C(C=NC=N1)C(=O)O Z444878408 [0,0,0,0,0,0|3,0,1]=4 3 B12R1.261 CN(C)C1=C(C=CC=N1)C(=O)O Z425449676 [0,0,0,0,0,0|3,0,0]=3 4 B12R1.261 CN(C)C1=C(N=CC=C1)C(=O)O Z2256216232 [0,0,0,0,0,0|3,0,0]=3 5 B12R1.261 N=C(N)C1=C(C=CC=C1)C(=O)O Z3242292796 [0,0,0,0,0,0|3,0,0]=3 6 B12R1.261 NC(=O)C1=C(C=CC=C1)C(=O)N Z104476290 [0,0,0,0,0,0|3,0,0]=3 7 B12R1.261 NC(=O)C1=C(C=CC=N1)C(=O)O Z1142648247 [0,0,0,0,0,0|1,0,0]=1 8 B12R1.261 NC(=O)C1=C(N=CC=N1)C(=O)O Z104493654 [0,0,0,0,0,0|2,0,0]=2 9 B12R1.261 O=C(O)C1=C(C=CC=C1)B(O)O Z1201620947 [0,0,0,0,0,0|2,0,1]=3 10 B12R1.261 O=C(O)C1=C(C=CC=C1)C(=O)O Z57127456 [0,0,0,0,0,0|1,0,0]=1 11 B12R1.261 O=C(O)C1=C(C=CC=C1)[N+](=O)[O-] Z57160141 [0,0,0,0,0,0|2,0,1]=3 12 B12R1.261 O=C(O)C1=C(C=NC=C1)C(=O)O Z1123696308 [0,0,0,0,0,0|2,0,0]=2 13 B12R1.261 O=C(O)C1=C(C=NN=C1)C(=O)O Z1201623771 [0,0,0,0,0,0|3,0,0]=3 14 B12R1.261 O=C(O)C1=C(N=CC=C1)C(=O)O Z57160166 [0,0,0,0,0,0|0,0,0]=0 15 B12R1.261 O=C(O)C1=C(N=CC=C1)C(F)F Z1255464602 [0,0,0,0,0,0|2,0,1]=3 16 B12R1.261 O=C(O)C1=C(N=CC=N1)C(=O)O Z104492896 [0,0,0,0,0,0|1,0,0]=1 17 B11R1.53 CC(=O)C1=C(C=CC=C1)C=O Z1255489619 [1,0,0,0,0,0|2,0,0]=3 18 B11R1.53 CC(C)C1=C(C=CC=N1)C=O Z1255398088 [1,0,0,0,0,0|2,0,1]=4 19 B11R1.53 CCC1=C(C=CC=C1)C(=O)O Z979777146 [1,0,0,0,0,0|2,0,1]=4 20 B11R1.53 CCC1=C(C=CC=N1)C(=O)O Z5499572051 [1,0,0,0,0,0|1,0,1]=3 21 B11R1.53 CCC1=C(C=NC=N1)C(=O)O Z444878406 [1,0,0,0,0,0|2,0,1]=4 22 B11R1.53 CCC1=C(N=CC=C1)C(=O)O Z1558209672 [1,0,0,0,0,0|1,0,1]=3 23 B11R1.53 CCC1=C(N=CC=N1)C(=O)O Z1551935457 [1,0,0,0,0,0|2,0,1]=4 24 B11R1.53 CN(C)C1=C(C=CC=N1)C=O Z1201624113 [1,0,0,0,0,0|3,0,0]=4 25 B11R1.53 CNC1=C(C=CC=C1)C(=O)O Z56941087 [1,0,0,0,0,0|3,0,0]=4 26 B11R1.53 CNC1=C(C=CC=N1)C(=O)N Z359297606 [1,0,0,0,0,0|3,0,0]=4 27 B11R1.53 CNC1=C(C=CC=N1)C(=O)O Z71177490 [1,0,0,0,0,0|2,0,0]=3 28 B11R1.53 COC1=C(C=CC=C1)C(=O)O Z57127524 [1,0,0,0,0,0|3,0,0]=4 29 B11R1.53 COC1=C(C=CC=N1)C(=O)N Z300502574 [1,0,0,0,0,0|3,0,0]=4 30 B11R1.53 COC1=C(C=CC=N1)C(=O)O Z71179597 [1,0,0,0,0,0|2,0,0]=3 31 B11R1.53 COC1=C(N=CC=C1)C(=O)O Z808643216 [1,0,0,0,0,0|2,0,0]=3 32 B11R1.53 CSC1=C(C=CC=C1)C(=O)O Z56921447 [1,0,0,0,0,0|3,0,0]=4 33 B11R1.53 CSC1=C(C=CC=N1)C(=O)O Z104479350 [1,0,0,0,0,0|2,0,0]=3 34 B11R1.53 CSC1=C(N=CC=C1)C(=O)O Z1262521288 [1,0,0,0,0,0|2,0,0]=3 35 B11R1.53 CSC1=C(N=CC=N1)C(=O)O Z995154340 [1,0,0,0,0,0|3,0,0]=4 36 B11R1.53 NC(=O)C1=C(C=CC=C1)C=O Z1068032864 [1,0,0,0,0,0|2,0,0]=3 37 B11R1.53 NCC1=C(N=CC=C1)C(=O)O Z5490316769 [1,0,0,0,0,0|1,0,1]=3 38 B11R1.53 NNC1=C(C=CC=C1)C(=O)O Z56827064 [1,0,0,0,0,0|3,0,0]=4 39 B11R1.53 O=C(O)C1=C(C=CC=C1)CO Z425446262 [1,0,0,0,0,0|1,0,1]=3 40 B11R1.53 O=CC1=C(C=CC=C1)B(O)O Z415628158 [1,0,0,0,0,0|2,0,1]=4 41 B11R1.53 O=CC1=C(C=CC=C1)C(=O)O Z104478340 [1,0,0,0,0,0|1,0,0]=2 42 B11R1.53 O=CC1=C(C=CC=C1)[N+](=O)[O-] Z57162107 [1,0,0,0,0,0|2,0,1]=4 43 B11R1.53 O=CC1=C(C=CC=N1)C(=O)O Z2935743683 [1,0,0,0,0,0|0,0,0]=1 44 B11R1.53 O=CC1=C(N=CC=C1)C(=O)O Z1198311039 [1,0,0,0,0,0|0,0,0]=1 45 B11R1.53 O=CC1=C(N=CC=C1)[N+](=O)[O-] Z1198170549 [1,0,0,0,0,0|1,0,1]=3 46 B13R1.165 CC(C)C1=C(N=C(C=C1)Cl)C(=O)O Z2732791998 [0,1,0,0,0,0|2,0,1]=4 47 B13R1.165 CC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)O Z1255419193 [0,1,0,0,0,0|2,0,1]=4 48 B13R1.165 CC1=CC(=C(N=C1)C(=O)O)C(=O)O Z1198165562 [0,1,0,0,0,0|0,0,0]=1 49 B13R1.165 CC1=NC(=C(C=C1)C(=O)O)C(C)C Z1720655573 [0,1,0,0,0,0|2,0,1]=4 50 B13R1.165 CN(C)C1=C(C=C(C=N1)Br)C(=O)O Z905189426 [0,1,0,0,0,0|3,0,0]=4 51 B13R1.165 NC1=CC(=C(C=C1)C(=O)O)C(=O)O Z276600422 [0,1,0,0,0,0|1,0,0]=2 52 B13R1.165 O=C(O)C1=C(C=C(C=C1)Cl)[N+](=O)[O-] Z104474392 [0,1,0,0,0,0|2,0,1]=4 53 B13R1.165 O=C(O)C1=C(C=C(C=C1)F)C(=O)O Z335437572 [0,1,0,0,0,0|1,0,0]=2 54 B13R1.165 O=C(O)C1=C(C=C(C=C1)I)C(=O)O Z1269194728 [0,1,0,0,0,0|1,0,0]=2 55 B13R1.165 O=C(O)C1=C(C=C(C=C1)O)[N+](=O)[O-] Z1198238037 [0,1,0,0,0,0|2,0,1]=4 56 B13R1.165 O=C(O)C1=C(C=CC(=C1)Cl)[N+](=O)[O-] Z104477156 [0,1,0,0,0,0|2,0,1]=4 57 B13R1.165 O=C(O)C1=C(C=CC(=C1)F)[N+](=O)[O-] Z600389888 [0,1,0,0,0,0|2,0,1]=4 58 B13R1.165 O=C(O)C1=C(C=CC(=C1)O)[N+](=O)[O-] Z385458388 [0,1,0,0,0,0|2,0,1]=4 59 B13R1.165 O=C(O)C1=C(N=C(C=C1)Cl)C(=O)O Z1269219018 [0,1,0,0,0,0|0,0,0]=1 60 B13R1.295 CC1=C(C(=CC=C1)C(=O)O)[N+](=O)[O-] Z104482584 [0,1,0,0,0,0|2,0,1]=4 61 B13R1.295 CC1=C(C(=CC=C1)[N+](=O)[O-])C(=O)O Z168878268 [0,1,0,0,0,0|2,0,1]=4 62 B13R1.295 CC1=C(C(=NC=C1)C(=O)O)C(=O)O Z1262512158 [0,1,0,0,0,0|0,0,0]=1 63 B13R1.295 NC1=C(C(=CC=C1)[N+](=O)[O-])C(=O)O Z1255442308 [0,1,0,0,0,0|2,0,1]=4 64 B13R1.295 O=C(O)C1=C(C=CC=C1Cl)[N+](=O)[O-] Z277540142 [0,1,0,0,0,0|2,0,1]=4 65 B13R1.349 CC(C)(C)C1=C(N=CC=C1)C(=O)O Z3476723439 [0,1,0,0,0,0|2,0,1]=4 66 B13R1.349 CP(=O)(O)C1=C(C=CC=C1)C(=O)O Z1508983292 [0,1,0,0,0,0|2,0,0]=3 67 B13R1.349 CS(=O)(=O)C1=C(C=CC=C1)C(=O)O Z57044274 [0,1,0,0,0,0|2,0,1]=4 68 B13R1.349 CS(=O)(=O)C1=C(C=CC=N1)C(=O)O Z362600258 [0,1,0,0,0,0|1,0,1]=3 69 B13R1.349 CS(=O)(=O)C1=C(N=CC=C1)C(=O)O Z1508941156 [0,1,0,0,0,0|1,0,1]=3 70 B13R1.349 O=C(O)C1=C(C=CC=C1)P(=O)(O)O Z1269164752 [0,1,0,0,0,0|2,0,0]=3 71 B13R1.349 O=C(O)C1=C(C=CC=C1)S(=O)(=O)O Z56759395 [0,1,0,0,0,0|2,0,0]=3 72 B13R1.349 O=C(O)C1=C(C=CC=N1)C(F)(F)F Z1201624107 [0,1,0,0,0,0|2,0,1]=4 73 B13R1.349 O=C(O)C1=C(N=CC=C1)C(F)(F)F Z255150388 [0,1,0,0,0,0|2,0,1]=4 74 B13R1.547 CCS(=O)C1=C(C=CC=C1)C(=O)O Z85923150 [0,1,0,0,0,0|3,0,0]=4 75 B13R1.547 COC(=O)C1=C(C=CC=C1)B(O)O Z1255391218 [0,1,0,0,0,0|2,0,1]=4 76 B13R1.547 COC(=O)C1=C(C=CC=C1)C(=O)O Z1080376828 [0,1,0,0,0,0|1,0,0]=2 77 B13R1.547 COC(=O)C1=C(C=CN=C1)C(=O)O Z1255379671 [0,1,0,0,0,0|2,0,0]=3 78 B13R1.547 COC(=O)C1=C(N=CC=C1)C(=O)O Z1198182823 [0,1,0,0,0,0|0,0,0]=1 79 B13R1.547 COC(=O)C1=C(N=CC=N1)C(=O)O Z2293608377 [0,1,0,0,0,0|1,0,0]=2 80 B13R2.371 O=C1C=CC(=O)C2=C1C=CC=C2 Z104494806 [0,0,0,1,0,0|3,0,0]=4 81 B13R2.371 O=C1NC=C(C2=C1C=CC=C2)O Z276119362 [0,0,0,1,0,0|3,0,0]=4 82 B13R2.371 O=C1NC=C(C2=C1C=CC=N2)Br Z1269193248 [0,0,0,1,0,0|3,0,0]=4 83 B13R2.371 O=C1NNC(=O)C2=C1C=CC=C2 Z50146004 [0,0,0,1,0,0|3,0,0]=4 84 B13R2.371 O=C1NNC(=O)C2=C1N=CC=N2 Z217164382 [0,0,0,1,0,0|3,0,0]=4 85 B13R2.371 OC1=C2C=CC=CC2=C(C=C1)O Z815299402 [0,0,0,1,0,0|3,0,0]=4 86 B13R2.371 OC1=C2C=CC=NC2=C(C=C1)Br Z1269190754 [0,0,0,1,0,0|3,0,0]=4 87 B13R2.371 OC1=C2N=CC=CC2=C(C=C1)Cl Z1954804579 [0,0,0,1,0,0|3,0,0]=4 88 B13R2.371 OC1=C2N=CC=CC2=C(C=C1)F Z2432833925 [0,0,0,1,0,0|3,0,0]=4 89 B13R2.5514 O=C(O)C1=C(C=CC=N1)C2CC2 Z3770261114 [0,0,0,1,0,0|2,0,1]=4 90 B11R1.178 CC(=O)C1=C(SC=C1)C(=O)O Z1198158862 [0,0,0,0,1,0|2,0,0]=3 91 B11R1.178 NC(=O)C1=CSC=C1C(=O)O Z2122267359 [0,0,0,0,1,0|2,0,0]=3 92 B11R1.178 O=C(O)C1=C(CCC1)C(=O)O Z1255487192 [0,0,0,0,1,0|0,0,3]=4 93 B11R1.178 O=C(O)C1=C(NC=N1)C(=O)O Z57290953 [0,0,0,0,1,0|1,0,0]=2 94 B11R1.178 O=C(O)C1=C(SC=C1)C(=O)O Z877960192 [0,0,0,0,1,0|1,0,0]=2 95 B11R1.178 O=C(O)C1=CNC=C1C(=O)O Z815303066 [0,0,0,0,1,0|1,0,0]=2 96 B11R1.178 O=C(O)C1=CNN=C1[N+](=O)[O-] Z1201626113 [0,0,0,0,1,0|2,0,1]=4 97 B11R1.178 O=C([O-])C1=NSN=C1C(=O)O Z1837073454 [0,0,0,0,1,0|2,0,1]=4 98 B13R1.589 CC(=O)NC1=C(C=CN=C1)C(=O)O Z1198154202 [0,0,0,0,0,1|3,0,0]=4 99 B13R1.589 CC(=O)NC1=C(N=CC=C1)C(=O)O Z1255368060 [0,0,0,0,0,1|1,0,0]=2 100 B13R1.589 CC(=O)OC1=C(C=CC=C1)C(=O)C Z28255481 [0,0,0,0,0,1|3,0,0]=4 101 B13R1.589 CC(=O)OC1=C(C=CC=C1)C(=O)O Z104474430 [0,0,0,0,0,1|2,0,0]=3 102 B13R1.589 CC(C)NC1=C(C=CC=N1)C(=O)O Z71176798 [0,0,0,0,0,1|2,0,1]=4 103 B13R1.589 CC(C)OC1=C(C=CC=N1)C(=O)O Z285179440 [0,0,0,0,0,1|2,0,1]=4 104 B13R1.589 CC(C)OC1=C(N=CC=C1)C(=O)O Z808643224 [0,0,0,0,0,1|2,0,1]=4 105 B13R1.589 CC(C)SC1=C(C=CC=N1)C(=O)O Z425485058 [0,0,0,0,0,1|2,0,1]=4 106 B13R1.589 CS(=O)C1=C(C=CC=C1)CC(=O)O Z1262518784 [0,0,0,0,0,1|3,0,0]=4 107 B13R1.589 NC(=O)NC1=C(C=CC=C1)C(=O)O Z239135034 [0,0,0,0,0,1|2,0,0]=3 108 B13R1.589 O=C(O)C1=C(N=CC=C1)SC(F)F Z85937426 [0,0,0,0,0,1|2,0,1]=4 109 B13R1.589 O=C(O)CC1=C(C=CC=C1)C(=O)O Z104474214 [0,0,0,0,0,1|1,0,0]=2 110 B13R1.589 O=C(O)CC1=C(C=CC=C1)[N+](=O)[O-] Z57270339 [0,0,0,0,0,1|2,0,1]=4 111 B10R1.20 C=CC1=C(C=CC=N1)C=O Z1198169175 [2,0,0,0,0,0|1,0,0]=3 112 B10R1.20 CCC1=C(C=CC=N1)C=O Z3241890674 [2,0,0,0,0,0|1,0,1]=4 113 B10R1.20 CCC1=C(N=CC=C1)C=O Z1255375872 [2,0,0,0,0,0|1,0,1]=4 114 B10R1.20 CNC1=C(C=CC=N1)C=O Z1198166160 [2,0,0,0,0,0|2,0,0]=4 115 B10R1.20 COC1=C(C=CC=N1)C=O Z1079442776 [2,0,0,0,0,0|2,0,0]=4 116 B10R1.20 COC1=C(N=CC=C1)C=O Z1198165843 [2,0,0,0,0,0|2,0,0]=4 117 B10R1.20 N#CC1=C(N=CC=C1)C=O Z1198236160 [2,0,0,0,0,0|1,0,1]=4 118 B10R1.20 O=CC1=C(C=CC=C1)C=O Z104494958 [2,0,0,0,0,0|1,0,0]=3 119 B10R1.20 O=CC1=C(C=CC=C1)CO Z1216844620 [2,0,0,0,0,0|1,0,1]=4 120 B10R1.61 CC(=O)C1=C(C=CC=C1)O Z57101014 [2,0,0,0,0,0|2,0,0]=4 121 B10R1.61 CC(=O)C1=C(C=CC=N1)O Z1198175942 [2,0,0,0,0,0|1,0,0]=3 122 B10R1.61 CC(=O)C1=C(N=CC=C1)Br Z1269140470 [2,0,0,0,0,0|2,0,0]=4 123 B10R1.61 CC(=O)C1=C(N=CC=C1)Cl Z1154360549 [2,0,0,0,0,0|2,0,0]=4 124 B10R1.61 CC1=C(C=CC=C1)C(=O)O Z104495626 [2,0,0,0,0,0|1,0,1]=4 125 B10R1.61 CC1=C(C=CC=N1)C(=O)O Z1276602308 [2,0,0,0,0,0|0,0,1]=3 126 B10R1.61 CC1=C(C=CN=N1)C(=O)O Z1255447225 [2,0,0,0,0,0|1,0,1]=4 127 B10R1.61 CC1=C(C=NC=N1)C(=O)O Z444878404 [2,0,0,0,0,0|1,0,1]=4 128 B10R1.61 CC1=C(N=CC=C1)C(=O)O Z976634736 [2,0,0,0,0,0|0,0,1]=3 129 B10R1.61 CC1=C(N=CC=N1)C(=O)O Z1205494130 [2,0,0,0,0,0|1,0,1]=4 130 B10R1.61 CC1=C(N=NC=C1)C(=O)O Z4426112684 [2,0,0,0,0,0|1,0,1]=4 131 B10R1.61 NC(=O)C1=C(C=CC=C1)O Z68590124 [2,0,0,0,0,0|2,0,0]=4 132 B10R1.61 NC(=O)C1=C(C=CC=N1)N Z1083218598 [2,0,0,0,0,0|2,0,0]=4 133 B10R1.61 NC(=O)C1=C(N=CC=C1)Cl Z33546502 [2,0,0,0,0,0|2,0,0]=4 134 B10R1.61 NC(=O)C1=C(N=CC=N1)O Z1201619905 [2,0,0,0,0,0|2,0,0]=4 135 B10R1.61 NC1=C(C=CC=N1)C(=O)O Z104475724 [2,0,0,0,0,0|1,0,0]=3 136 B10R1.61 NC1=C(C=NC=N1)C(=O)O Z56755621 [2,0,0,0,0,0|2,0,0]=4 137 B10R1.61 NC1=C(N=CC=C1)C(=O)O Z1201619040 [2,0,0,0,0,0|1,0,0]=3 138 B10R1.61 NC1=C(N=CC=N1)C(=O)O Z56818526 [2,0,0,0,0,0|2,0,0]=4 139 B10R1.61 O=C(O)C1=C(C=CC=C1)Br Z57825381 [2,0,0,0,0,0|2,0,0]=4 140 B10R1.61 O=C(O)C1=C(C=CC=C1)Cl Z57127537 [2,0,0,0,0,0|2,0,0]=4 141 B10R1.61 O=C(O)C1=C(C=CC=C1)F Z57914061 [2,0,0,0,0,0|2,0,0]=4 142 B10R1.61 O=C(O)C1=C(C=CC=C1)I Z57637028 [2,0,0,0,0,0|2,0,0]=4 143 B10R1.61 O=C(O)C1=C(C=CC=C1)O Z56757226 [2,0,0,0,0,0|1,0,0]=3 144 B10R1.61 O=C(O)C1=C(C=CC=C1)S Z104477754 [2,0,0,0,0,0|1,1,0]=4 145 B10R1.61 O=C(O)C1=C(C=CC=N1)Cl Z1203161828 [2,0,0,0,0,0|1,0,0]=3 146 B10R1.61 O=C(O)C1=C(C=CC=N1)O Z608353738 [2,0,0,0,0,0|0,0,0]=2 147 B10R1.61 O=C(O)C1=C(C=NC=N1)Cl Z1198223598 [2,0,0,0,0,0|2,0,0]=4 148 B10R1.61 O=C(O)C1=C(N=CC=C1)Br Z926900218 [2,0,0,0,0,0|1,0,0]=3 149 B10R1.61 O=C(O)C1=C(N=CC=C1)Cl Z104474538 [2,0,0,0,0,0|1,0,0]=3 150 B10R1.61 O=C(O)C1=C(N=CC=C1)F Z1203161997 [2,0,0,0,0,0|1,0,0]=3 151 B10R1.61 O=C(O)C1=C(N=CC=C1)I Z1269167145 [2,0,0,0,0,0|1,0,0]=3 152 B10R1.61 O=C(O)C1=C(N=CC=C1)S Z203045100 [2,0,0,0,0,0|0,1,0]=3 153 B10R1.61 O=C(O)C1=C(N=CC=N1)Br Z1269173189 [2,0,0,0,0,0|2,0,0]=4 154 B10R1.61 O=C(O)C1=C(N=CC=N1)Cl Z1201620959 [2,0,0,0,0,0|2,0,0]=4 155 B10R1.61 O=C(O)C1=C(N=NC=C1)Cl Z1255436538 [2,0,0,0,0,0|2,0,0]=4 156 B10R1.61 O=C(O)C1=C(N=NC=C1)S Z1410944982 [2,0,0,0,0,0|1,1,0]=4 157 B10R1.61 O=C(O)C1=CC=CNC1=O Z57012260 [2,0,0,0,0,0|0,0,1]=3 158 B10R1.61 O=C(O)C1=CC=NNC1=O Z1198168921 [2,0,0,0,0,0|1,0,1]=4 159 B10R1.61 O=C(O)C1=CNC=CC1=O Z1869802012 [2,0,0,0,0,0|2,0,0]=4 160 B10R1.61 O=C(O)C1=CNC=NC1=O Z1350606493 [2,0,0,0,0,0|1,0,0]=3 161 B10R1.61 O=C(O)C1=NNC=CC1=O Z1205496521 [2,0,0,0,0,0|1,0,0]=3 162 B10R1.61 O=[N+]([O-])C1=C(C=CC=N1)O Z56921159 [2,0,0,0,0,0|1,0,1]=4 163 B12R1.46 CC(=O)C1=C(C=CC(=C1)Br)C=O Z3325945636 [1,1,0,0,0,0|2,0,0]=4 164 B12R1.46 CC(=O)C1=C(C=CC(=C1)C)C=O Z1511772024 [1,1,0,0,0,0|2,0,0]=4 165 B12R1.46 CC1=CC(=C(C=C1)C=O)C(=O)O Z1262549641 [1,1,0,0,0,0|1,0,0]=3 166 B12R1.46 CCC1=C(C=C(C=N1)Br)C(=O)O Z1269123743 [1,1,0,0,0,0|1,0,1]=4 167 B12R1.46 COC1=C(C=C(C=N1)F)C(=O)O Z1198165238 [1,1,0,0,0,0|2,0,0]=4 168 B12R1.46 O=CC1=C(C=C(C=C1)Br)C(=O)O Z1269149480 [1,1,0,0,0,0|1,0,0]=3 169 B12R1.46 O=CC1=C(C=C(C=C1)Cl)C(=O)O Z1198170017 [1,1,0,0,0,0|1,0,0]=3 170 B12R1.46 O=CC1=C(C=C(C=C1)F)C(=O)O Z1198309556 [1,1,0,0,0,0|1,0,0]=3 171 B12R1.57 CC(=O)C1=C(C=C(C=C1)Br)C=O Z3325945176 [1,1,0,0,0,0|2,0,0]=4 172 B12R1.57 CC(=O)C1=C(C=C(C=C1)C)C=O Z1216844636 [1,1,0,0,0,0|2,0,0]=4 173 B12R1.57 COC1=C(C=CC(=N1)N)C(=O)O Z1198176092 [1,1,0,0,0,0|2,0,0]=4 174 B12R1.57 COC1=C(N=CC(=C1)C)C(=O)O Z1255398419 [1,1,0,0,0,0|2,0,0]=4 175 B12R1.57 CSC1=C(C=CC(=N1)Cl)C(=O)O Z1134175209 [1,1,0,0,0,0|2,0,0]=4 176 B12R1.57 O=CC1=C(C=CC(=C1)Br)C(=O)O Z1269230118 [1,1,0,0,0,0|1,0,0]=3 177 B12R1.57 O=CC1=C(C=CC(=C1)F)C(=O)O Z1262555646 [1,1,0,0,0,0|1,0,0]=3 178 B12R1.77 CNC(=O)C1=C(C=CC=C1)C=O Z1068186268 [1,1,0,0,0,0|2,0,0]=4 179 B12R1.77 COC(=O)C1=C(C=CC=C1)C=O Z54125420 [1,1,0,0,0,0|1,0,0]=3 180 B12R1.77 COC(=O)C1=C(C=CC=N1)C#N Z1198150847 [1,1,0,0,0,0|1,0,1]=4 181 B12R1.77 COC(=O)C1=C(C=CC=N1)C=O Z1198311042 [1,1,0,0,0,0|0,0,0]=2 182 B12R1.77 COC(=O)C1=C(N=CC=C1)C#N Z1198150846 [1,1,0,0,0,0|1,0,1]=4 183 B12R1.77 COC(=O)C1=C(N=CC=C1)C=O Z1198309070 [1,1,0,0,0,0|0,0,0]=2 184 B12R1.77 COC(=O)C1=C(N=CC=C1)OC Z307842984 [1,1,0,0,0,0|2,0,0]=4 185 B12R1.87 O=CC1=C(C=CC=C1Cl)C(=O)O Z1198309548 [1,1,0,0,0,0|1,0,0]=3 186 B12R1.87 O=CC1=C(C=CC=C1F)C(=O)O Z1198727784 [1,1,0,0,0,0|1,0,0]=3 187 B12R1.87 O=CC1=C(C=CC=C1O)C(=O)O Z1255385760 [1,1,0,0,0,0|1,0,0]=3 188 B12R1.283 CCNC1=C(N=CC=C1)C(=O)O Z2768134920 [1,1,0,0,0,0|1,0,1]=4 189 B12R1.283 CCOC1=C(C=CC=N1)C(=O)O Z104495504 [1,1,0,0,0,0|1,0,1]=4 190 B12R1.283 CCOC1=C(N=CC=C1)C(=O)O Z808643270 [1,1,0,0,0,0|1,0,1]=4 191 B12R1.283 CCSC1=C(N=CC=C1)C(=O)O Z1262530511 [1,1,0,0,0,0|1,0,1]=4 192 B12R1.283 COCC1=C(C=CC=C1)C(=O)O Z359517772 [1,1,0,0,0,0|1,0,1]=4 193 B12R1.283 COCC1=C(N=CC=C1)C(=O)O Z4742339690 [1,1,0,0,0,0|0,0,1]=3 194 B12R1.283 CSCC1=C(N=CC=C1)C(=O)O Z1080732160 [1,1,0,0,0,0|0,1,1]=4 195 B12R1.437 CC(=O)C1=C(C=CC=C1C)C=O Z1216844634 [1,1,0,0,0,0|2,0,0]=4 196 B12R1.437 CC1=C(C(=CC=C1)C=O)C(=O)O Z1198726850 [1,1,0,0,0,0|1,0,0]=3 197 B12R1.437 O=CC1=C(C(=CC=C1)Br)C(=O)O Z3003279416 [1,1,0,0,0,0|1,0,0]=3 198 B12R1.437 O=CC1=C(C(=CC=C1)Cl)C(=O)O Z1198309744 [1,1,0,0,0,0|1,0,0]=3 199 B12R1.437 O=CC1=C(C(=CC=C1)F)C(=O)O Z1982438545 [1,1,0,0,0,0|1,0,0]=3 200 B12R1.368 COC(=O)C1=C(C=CN1)C(=O)O Z5593358295 [0,1,0,0,1,0|0,0,1]=3 201 B12R1.368 COC(=O)C1=C(C=CS1)C(=O)O Z1262517519 [0,1,0,0,1,0|1,0,0]=3 202 B12R1.368 COC(=O)C1=C(OC=C1)C(=O)O Z1889706994 [0,1,0,0,1,0|1,0,0]=3 203 B12R1.368 COC(=O)C1=CNN=C1C(=O)O Z1262529404 [0,1,0,0,1,0|1,0,0]=3 204 B12R1.368 COC(=O)C1=COC=C1C(=O)O Z1262511791 [0,1,0,0,1,0|1,0,0]=3 205 B12R1.368 COC(=O)C1=CSC=C1C(=O)O Z1262514542 [0,1,0,0,1,0|1,0,0]=3 206 B12R1.498 CC1=C(C(=NN1)C(=O)O)C(=O)O Z1262517399 [0,1,0,0,1,0|1,0,0]=3 207 B12R1.850 CC(=O)C1=CN(N=C1C(=O)O)C Z1262541501 [0,1,0,0,1,0|2,0,0]=4 208 B12R1.850 CC1=NC(=C(N1)C(=O)O)C(=O)O Z1198150718 [0,1,0,0,1,0|1,0,0]=3 209 B14R1.164 CC(=O)NC1=C(C=CC(=C1)Br)C(=O)O Z607862306 [0,1,0,0,0,1|2,0,0]=4 210 B14R1.164 CC(=O)NC1=C(C=CC(=C1)Cl)C(=O)O Z85915745 [0,1,0,0,0,1|2,0,0]=4 211 B14R1.164 CC(=O)NC1=C(C=CC(=C1)F)C(=O)O Z133263888 [0,1,0,0,0,1|2,0,0]=4 212 B14R1.164 CC(=O)OC1=C(C=CC(=C1)C)C(=O)O Z1251413637 [0,1,0,0,0,1|2,0,0]=4 213 B14R1.164 NC(=O)NC1=C(C=CC(=C1)Cl)C(=O)O Z239134770 [0,1,0,0,0,1|2,0,0]=4 214 B14R1.164 O=C(O)CC1=C(C=CC(=C1)Br)C(=O)O Z1258932136 [0,1,0,0,0,1|1,0,0]=3 215 B14R1.429 CC(=O)N(C)C1=C(C=CC=C1)C(=O)O Z220639108 [0,1,0,0,0,1|2,0,0]=4 216 B14R1.744 COC(=O)C1=C(C=CC=C1)CC(=O)O Z1262511329 [0,1,0,0,0,1|1,0,0]=3 217 B14R1.3302 C=CC(=O)NC1=C(C=CC=C1)C(=O)O Z316089774 [0,1,0,0,0,1|2,0,0]=4 218 B14R1.3302 CCC(=O)NC1=C(C=CC=C1)C(=O)O Z85878916 [0,1,0,0,0,1|2,0,0]=4 219 B14R1.3302 COC(=O)CC1=C(C=CC=C1)C(=O)O Z1198154414 [0,1,0,0,0,1|1,0,0]=3 220 B14R1.3302 COC(=O)NC1=C(C=CC=C1)C(=O)O Z192948536 [0,1,0,0,0,1|1,0,0]=3 221 B14R1.3302 O=C(CCl)NC1=C(C=CC=C1)C(=O)O Z56891406 [0,1,0,0,0,1|2,0,0]=4 222 B14R1.4894 CC(=O)NC1=C(C=CC=C1C)C(=O)O Z221300464 [0,1,0,0,0,1|2,0,0]=4 223 B14R1.4894 CC(=O)NC1=C(C=CC=C1Cl)C(=O)O Z916919184 [0,1,0,0,0,1|2,0,0]=4 224 B14R1.4894 O=C(O)CC1=C(C=CC=C1Cl)C(=O)O Z1269110325 [0,1,0,0,0,1|1,0,0]=3 225 B14R1.4926 CC(=O)NC1=C(C(=CC=C1)F)C(=O)O Z424765890 [0,1,0,0,0,1|2,0,0]=4 226 B14R1.4926 NC(=O)NC1=C(C(=CC=C1)F)C(=O)O Z424767664 [0,1,0,0,0,1|2,0,0]=4 227 B14R1.6074 CC(=O)OC1=C(C=C(C=C1)C)C(=O)O Z415652776 [0,1,0,0,0,1|2,0,0]=4 228 B14R1.6074 CC(=O)OC1=C(C=C(C=C1)Cl)C(=O)O Z991517134 [0,1,0,0,0,1|2,0,0]=4 229 B14R1.6074 NC(=O)NC1=C(C=C(C=C1)Br)C(=O)O Z927386356 [0,1,0,0,0,1|2,0,0]=4 230 B14R1.104 COC1=CC(=C(C=C1)C(=O)O)C(=O)O Z600412508 [0,2,0,0,0,0|1,0,0]=3 231 B14R1.104 O=CC1=CC(=C(C=C1)C(=O)O)C(=O)O Z1262527278 [0,2,0,0,0,0|1,0,0]=3 232 B14R1.707 COC(=O)C1=C(C=CC(=C1)Cl)C(=O)C Z1725938655 [0,2,0,0,0,0|2,0,0]=4 233 B14R1.6027 O=C(O)C1=C(C=C(C(=C1)Cl)Cl)C(=O)O Z57127450 [0,2,0,0,0,0|1,0,0]=3 234 B14R1.6027 O=C(O)C1=C(C=C(C(=C1)F)F)C(=O)O Z335437574 [0,2,0,0,0,0|1,0,0]=3 235 B14R1.6060 O=C(O)C1=C(C(=C(C=C1)F)F)C(=O)O Z1681341906 [0,2,0,0,0,0|1,0,0]=3 236 B14R1.746 COC(=O)C1=C(C=CC=C1)C(=O)OC Z57902306 [0,2,0,0,0,0|1,0,0]=3 237 B14R1.746 COC(=O)C1=C(C=NC=C1)C(=O)OC Z1255356418 [0,2,0,0,0,0|2,0,0]=4 238 B12R1.226 CC1=CC(=CN=C1)/C=C/C(=O)O Z1473962891 [0,0,1,1,0,0|2,0,0]=4 239 B12R1.226 O=C(O)/C=C/C1=CC(=CC=C1)O Z247613734 [0,0,1,1,0,0|2,0,0]=4 240 B12R1.226 O=C(O)/C=C/C1=CC(=CN=C1)F Z2587702979 [0,0,1,1,0,0|2,0,0]=4 241 B12R1.226 O=C(O)/C=C/C1=CC(=CN=C1)O Z1518653071 [0,0,1,1,0,0|1,0,0]=3 242 B12R1.11 O=CC1=CC(=CC(=C1)C(=O)O)O Z1255441210 [0,0,1,1,0,0|2,0,0]=4 243 B12R2.1081 O=C1NC=CC2=C1C=CC=N2 Z3227107005 [1,0,0,1,0,0|2,0,0]=4 244 B12R2.1081 O=C1NN=CC2=C1C=CC=N2 Z1250092421 [1,0,0,1,0,0|2,0,0]=4 245 B12R2.1081 O=C1NN=CC2=C1N=CC=C2 Z1224947968 [1,0,0,1,0,0|2,0,0]=4 246 B12R2.1081 O=C1OC=CC2=C1C=CC=C2 Z1198175817 [1,0,0,1,0,0|2,0,0]=4 247 B12R2.1081 O=C1OC=CC2=C1N=CC=C2 Z1127388775 [1,0,0,1,0,0|1,0,0]=3 248 B12R2.1081 OC1=C2N=CC=CC2=CC=C1 Z56926518 [1,0,0,1,0,0|2,0,0]=4 249 B12R2.1081 OC1=C2N=CC=CC2=CC=N1 Z1201626988 [1,0,0,1,0,0|2,0,0]=4 250 B12R2.2028 O=C1CC(=O)C2=C1C=CC=C2 Z57131040 [1,0,0,1,0,0|2,0,0]=4 251 B12R2.2028 O=C1NC(=O)C2=C1C=CC=C2 Z57127356 [1,0,0,1,0,0|2,0,0]=4 252 B12R2.2028 O=C1NC(=O)C2=C1C=CC=N2 Z275364976 [1,0,0,1,0,0|1,0,0]=3 253 B12R2.2028 O=C1NC(=O)C2=C1N=CC=N2 Z1198157712 [1,0,0,1,0,0|2,0,0]=4 254 B12R2.2028 O=C1OC(=O)C2=C1C=CC=N2 Z235344909 [1,0,0,1,0,0|0,0,0]=2 255 B12R2.2028 O=C1OC(C2=C1C=CC=C2)O Z104507040 [1,0,0,1,0,0|1,0,1]=4 256 B14R2.287 O=C1CCC(=O)C2=C(N1)C=CC=N2 Z1198225166 [0,0,0,1,0,1|2,0,0]=4 257 B14R2.712 CC1=NC2=C(O1)C=CC=C2C(=O)O Z1262514370 [0,0,0,1,0,1|2,0,0]=4 258 B14R2.712 NC1=NC2=C(O1)C=CC=C2C(=O)O Z1862023152 [0,0,0,1,0,1|2,0,0]=4 259 B14R2.712 O=C1CC2=C(C=CC=C2N1)C(=O)O Z1198272458 [0,0,0,1,0,1|2,0,0]=4 260 B14R2.712 O=C1CC2=CC=CC(=C2O1)C(=O)O Z1262521063 [0,0,0,1,0,1|2,0,0]=4 261 B14R2.712 O=C1NC2=C(C=CC=C2O1)C(=O)O Z1198315026 [0,0,0,1,0,1|1,0,0]=3 262 B14R2.712 O=C1NC2=CC=CC(=C2N1)C(=O)O Z2168541831 [0,0,0,1,0,1|2,0,0]=4 263 B14R2.712 O=C1NC2=CC=CC(=C2O1)C(=O)O Z1262521113 [0,0,0,1,0,1|2,0,0]=4 264 B14R2.25733 O=C1CC(C2=C1C=CC=C2)C(=O)O Z1079167836 [0,0,0,1,0,1|2,0,0]=4 265 B14R2.25733 O=C1NC(C2=C1C=CC=C2)C(=O)O Z1255419749 [0,0,0,1,0,1|2,0,0]=4 266 B14R2.25733 O=C1OC(C2=C1C=CC=C2)C(=O)O Z1198161402 [0,0,0,1,0,1|1,0,0]=3 267 B14R2.24350 O=C(O)C1=C2C(=O)CCC2=CC=C1 Z1198224378 [0,1,0,1,0,0|2,0,0]=4 268 B14R2.24350 O=C(O)C1=C2C(=O)NCC2=CC=C1 Z1198323512 [0,1,0,1,0,0|2,0,0]=4 269 B14R2.24350 O=C(O)C1=C2C(=O)NNC2=CC=C1 Z1198148801 [0,1,0,1,0,0|2,0,0]=4 270 B14R2.1131 O=NC1=C2C=CC=NC2=C(C=C1)O Z56922102 [0,1,0,1,0,0|2,0,0]=4 271 B14R2.4510 O=C1CCCC(=O)C2=C1C=CC=N2 Z1255429539 [0,1,0,1,0,0|2,0,0]=4 272 B14R2.7724 O=C1C=C(C(=O)C2=C1C=CC=C2)O Z104479394 [0,1,0,1,0,0|2,0,0]=4 273 B10R1.39 C=CN1N=CC=C1C(=O)O Z1509048770 [1,0,0,0,1,0|2,0,0]=4 274 B10R1.39 O=CC1=C(C=CO1)C(=O)O Z1205495058 [1,0,0,0,1,0|1,0,0]=3 275 B10R1.39 O=CC1=C(C=CS1)C(=O)O Z1198155319 [1,0,0,0,1,0|1,0,0]=3 276 B10R1.39 O=CC1=C(NC=C1)C(=O)O Z2894612605 [1,0,0,0,1,0|0,0,1]=3 277 B10R1.39 O=CC1=C(NC=N1)C(=O)O Z2936387970 [1,0,0,0,1,0|1,0,0]=3 278 B10R1.39 O=CC1=C(OC=C1)C(=O)O Z2681280636 [1,0,0,0,1,0|1,0,0]=3 279 B10R1.39 O=CC1=C(SC=C1)C(=O)O Z1198309295 [1,0,0,0,1,0|1,0,0]=3 280 B10R1.39 O=CC1=CNN=C1C(=O)O Z1201627948 [1,0,0,0,1,0|1,0,0]=3 281 B10R1.39 O=CC1=CSC=C1C(=O)O Z1198158839 [1,0,0,0,1,0|1,0,0]=3 282 B12R1.75 CC(=O)NC1=C(C=CC=C1)C=O Z1143235775 [1,0,0,0,0,1|2,0,0]=4 283 B12R1.258 CC(=O)C1=CC(=CC=C1)C(=O)O Z1203161684 [0,0,0,0,1,1|1,0,0]=3 284 B12R1.258 CC(=O)C1=CC(=CN=C1)C(=O)O Z1255382323 [0,0,0,0,1,1|2,0,0]=4 285 B12R1.258 CS(=O)C1=CC(=CC=C1)C(=O)O Z1198340914 [0,0,0,0,1,1|2,0,0]=4 286 B12R1.258 N=C(N)C1=NC=CC(=C1)C(=O)O Z1737940646 [0,0,0,0,1,1|2,0,0]=4 287 B12R1.258 NC(=O)C1=CC(=CC=C1)C(=O)O Z295886826 [0,0,0,0,1,1|1,0,0]=3 288 B12R1.258 NC(=O)C1=CC(=CN=C1)C(=O)O Z451348038 [0,0,0,0,1,1|2,0,0]=4 289 B12R1.258 NC(=O)C1=CC=CC(=C1)C(=O)N Z275156916 [0,0,0,0,1,1|2,0,0]=4 290 B12R1.258 NC(=O)C1=NC(=CC=C1)C(=O)O Z431949148 [0,0,0,0,1,1|1,0,0]=3 291 B12R1.258 NC(=O)C1=NC=CC(=C1)C(=O)O Z1255448641 [0,0,0,0,1,1|1,0,0]=3 292 B12R1.258 NC(=S)C1=CC(=CC=C1)C(=O)O Z404889430 [0,0,0,0,1,1|1,1,0]=4 293 B12R1.258 O=C(O)C1=CC(=CC=C1)[N+](=O)[O-] Z57127479 [0,0,0,0,1,1|1,0,1]=4 294 B12R1.258 O=C(O)C1=CC(=NC=C1)C(=O)O Z1236003425 [0,0,0,0,1,1|0,0,0]=2 295 B12R1.258 O=C(O)C1=CC=CC(=C1)B(O)O Z1203161777 [0,0,0,0,1,1|1,0,1]=4 296 B12R1.258 O=C(O)C1=CC=CC(=C1)C(=O)O Z104475158 [0,0,0,0,1,1|0,0,0]=2 297 B12R1.258 O=C(O)C1=CC=CC(=N1)C(=O)O Z57202012 [0,0,0,0,1,1|0,0,0]=2 298 B12R1.258 O=C(O)C1=CN=CC(=C1)C(=O)O Z275127642 [0,0,0,0,1,1|1,0,0]=3 299 B14R1.814 CC(=O)NC1=C(C=CC=C1)CC(=O)O Z992494004 [0,0,0,0,0,2|2,0,0]=4 300 B14R1.814 NC(=O)CC1=C(C=CC=C1)CC(=O)O Z1262518652 [0,0,0,0,0,2|2,0,0]=4 301 B14R1.4522 CC(=O)C1=C(C=CC=C1)OCC(=O)O Z336079640 [0,0,0,0,0,2|2,0,0]=4 302 B14R1.4522 CC(=O)CSC1=C(C=CC=C1)C(=O)O Z57028528 [0,0,0,0,0,2|2,0,0]=4 303 B14R1.4522 NC(=O)C1=C(C=CC=C1)CCC(=O)O Z1262536383 [0,0,0,0,0,2|2,0,0]=4 304 B14R1.4522 NC(=O)C1=C(C=CC=C1)OCC(=O)O Z56807191 [0,0,0,0,0,2|2,0,0]=4 305 B14R1.4522 NC(=O)COC1=C(C=CC=C1)C(=O)O Z57085648 [0,0,0,0,0,2|2,0,0]=4 306 B14R1.4522 NC(=O)COC1=C(N=CC=C1)C(=O)O Z808643236 [0,0,0,0,0,2|1,0,0]=3 307 B14R1.4522 NC(=O)CSC1=C(C=CC=C1)C(=O)O Z55950608 [0,0,0,0,0,2|2,0,0]=4 308 B14R1.4522 O=C(O)CSC1=C(C=CC=C1)C(=O)O Z149170932 [0,0,0,0,0,2|1,0,0]=3 309 B14R1.4522 O=C(O)CSC1=C(C=CC=N1)C(=O)O Z71176921 [0,0,0,0,0,2|0,0,0]=2