0 B12R1.652 CC1=C(C(=C(C=N1)CO)C=O)O Z56922082 [0,0,0,0,0,0|0,0,0]=0 1 B12R1.652 CC1=C(C(=C(C=N1)CO)CO)O Z382721012 [0,0,0,0,0,0|0,0,2]=2 2 B11R1.37 CCC1=C(C=C(C=C1)F)C=O Z3243590902 [1,0,0,0,0,0|3,0,0]=4 3 B11R1.37 CNC1=C(C=C(C=C1)C)C=O Z1203816483 [1,0,0,0,0,0|3,0,0]=4 4 B11R1.37 COC1=C(C=C(C=C1)C)C=O Z90662695 [1,0,0,0,0,0|3,0,0]=4 5 B11R1.37 COC1=C(C=C(N=C1)Br)C=O Z1269193373 [1,0,0,0,0,0|3,0,0]=4 6 B11R1.72 CC1=C(C(=C(C=C1)Br)C=O)F Z1269224868 [1,0,0,0,0,0|3,0,0]=4 7 B11R1.72 CC1=C(C(=C(C=C1)Br)F)C=O Z1813353361 [1,0,0,0,0,0|3,0,0]=4 8 B11R1.72 CC1=C(C(=C(C=C1)Br)O)C=O Z1269242258 [1,0,0,0,0,0|2,0,0]=3 9 B11R1.72 CC1=C(C(=C(C=C1)C)C=O)C Z1216844627 [1,0,0,0,0,0|2,0,0]=3 10 B11R1.72 CC1=C(C(=C(C=C1)C)C=O)O Z1198163822 [1,0,0,0,0,0|1,0,0]=2 11 B11R1.72 CC1=C(C(=C(C=C1)Cl)C=O)N Z1739253846 [1,0,0,0,0,0|3,0,0]=4 12 B11R1.72 CC1=C(C(=C(C=C1)Cl)C=O)O Z1267796572 [1,0,0,0,0,0|2,0,0]=3 13 B11R1.72 CC1=C(C(=C(C=C1)Cl)O)C=O Z1255418082 [1,0,0,0,0,0|2,0,0]=3 14 B11R1.72 CC1=C(C(=C(C=C1)F)C=O)Br Z1269163286 [1,0,0,0,0,0|3,0,0]=4 15 B11R1.72 CC1=C(C(=C(C=C1)F)C=O)Cl Z1203161802 [1,0,0,0,0,0|3,0,0]=4 16 B11R1.72 CC1=C(C(=C(C=C1)F)C=O)F Z1201621152 [1,0,0,0,0,0|3,0,0]=4 17 B11R1.72 CC1=C(C(=C(C=C1)F)O)C=O Z1255393204 [1,0,0,0,0,0|2,0,0]=3 18 B11R1.72 CC1=C(C(=CC=C1Br)O)C=O Z1416194984 [1,0,0,0,0,0|3,0,0]=4 19 B11R1.72 O=CC1=C(C(=CC=C1Cl)Cl)O Z1198157441 [1,0,0,0,0,0|3,0,0]=4 20 B11R1.72 O=CC1=C(C(=CC=C1F)Br)O Z1322794675 [1,0,0,0,0,0|3,0,0]=4 21 B11R1.72 O=CC1=C(C(=CC=C1F)Cl)O Z1504674269 [1,0,0,0,0,0|3,0,0]=4 22 B11R1.72 O=CC1=C(C=CC(=C1Br)F)O Z1681334604 [1,0,0,0,0,0|3,0,0]=4 23 B11R1.72 O=CC1=C(C=CC(=C1Br)O)O Z1269235695 [1,0,0,0,0,0|3,0,0]=4 24 B11R1.72 O=CC1=C(C=CC(=C1Cl)Br)O Z1681355553 [1,0,0,0,0,0|3,0,0]=4 25 B11R1.72 O=CC1=C(C=CC(=C1F)Cl)O Z1511751760 [1,0,0,0,0,0|3,0,0]=4 26 B11R1.72 O=CC1=C(C=CC(=C1F)F)O Z1201624523 [1,0,0,0,0,0|3,0,0]=4 27 B11R1.72 O=CC1=C(C=CC(=C1O)O)F Z1504673060 [1,0,0,0,0,0|3,0,0]=4 28 B11R1.265 CCC1=C(C(=CC=C1)Cl)C=O Z1486015778 [1,0,0,0,0,0|3,0,0]=4 29 B11R1.265 CCC1=C(C(=CC=C1)F)C=O Z1511807993 [1,0,0,0,0,0|3,0,0]=4 30 B11R1.265 COC1=C(C(=CC=C1)O)C=O Z188964870 [1,0,0,0,0,0|3,0,0]=4 31 B11R1.265 COC1=C(C(=CN=C1)Br)C=O Z1269232886 [1,0,0,0,0,0|3,0,0]=4 32 B13R1.2277 COC1=C(C(=C(C=C1)C)OC)C=O Z1511791395 [0,1,0,0,0,0|3,0,0]=4 33 B13R1.2422 COC1=C(C(=C(C=C1)OC)C=O)O Z3227034404 [0,1,0,0,0,0|3,0,0]=4 34 B13R2.3790 CC1=C(C2=C(C=C1)CCC2=O)C Z1198731344 [0,0,0,1,0,0|3,0,0]=4 35 B13R2.3790 O=C1OCC2=C1C(=C(C=C2)Br)Cl Z1862012176 [0,0,0,1,0,0|3,0,0]=4 36 B11R1.976 CCC1=NN(C(=C1C=O)Cl)C Z381556032 [0,0,0,0,1,0|3,0,0]=4 37 B11R1.976 CCN1N=C(C(=C1C=O)Cl)C Z1255498751 [0,0,0,0,1,0|3,0,0]=4 38 B10R1.20 CCC1=C(C=CC=C1)C=O Z979776466 [2,0,0,0,0,0|2,0,0]=4 39 B10R1.20 CCC1=C(C=CN=C1)C=O Z1255392222 [2,0,0,0,0,0|1,0,0]=3 40 B10R1.20 COC1=C(C=NC=C1)CO Z1198311138 [2,0,0,0,0,0|2,0,0]=4 41 B10R1.20 O=CC1=C(C=CC=C1)CO Z1216844620 [2,0,0,0,0,0|1,0,0]=3 42 B10R1.25 CC1=CC(=C(C=C1)CO)C Z335244716 [2,0,0,0,0,0|1,0,1]=4 43 B10R1.25 CC1=CC(=C(C=C1)CO)Cl Z1255382519 [2,0,0,0,0,0|2,0,0]=4 44 B10R1.25 CC1=CC(=C(C=C1)CO)N Z1198176996 [2,0,0,0,0,0|2,0,0]=4 45 B10R1.25 CC1=CC(=NC=C1CN)C Z2255111767 [2,0,0,0,0,0|1,0,1]=4 46 B10R1.25 CC1=CC(=O)C(=NN1)CO Z1513630959 [2,0,0,0,0,0|1,0,1]=4 47 B10R1.25 CC1=NC(=C(C=N1)CO)N Z1198155379 [2,0,0,0,0,0|2,0,0]=4 48 B10R1.25 CCC1=C(C=C(N=C1)C)N Z1198157196 [2,0,0,0,0,0|2,0,0]=4 49 B10R1.30 CC1=C(C=C(C=C1)Br)C=O Z871801782 [2,0,0,0,0,0|2,0,0]=4 50 B10R1.30 CC1=C(C=C(C=C1)Cl)C=O Z871801780 [2,0,0,0,0,0|2,0,0]=4 51 B10R1.30 CC1=C(C=C(C=C1)F)C=O Z1080470282 [2,0,0,0,0,0|2,0,0]=4 52 B10R1.30 CC1=CC(=C(C=C1)Br)C=O Z871833034 [2,0,0,0,0,0|2,0,0]=4 53 B10R1.30 CC1=CC(=C(C=C1)C)C=O Z104479610 [2,0,0,0,0,0|1,0,0]=3 54 B10R1.30 CC1=CC(=C(C=C1)Cl)C=O Z871801784 [2,0,0,0,0,0|2,0,0]=4 55 B10R1.30 CC1=CC(=C(C=C1)F)C=O Z732814056 [2,0,0,0,0,0|2,0,0]=4 56 B10R1.30 CC1=CC(=C(C=C1)O)C=O Z274774390 [2,0,0,0,0,0|1,0,0]=3 57 B10R1.30 CC1=NC(=C(C=C1)O)C=O Z1104852896 [2,0,0,0,0,0|2,0,0]=4 58 B10R1.30 CC1=NN=C(C(=C1)C=O)C Z1504687333 [2,0,0,0,0,0|1,0,0]=3 59 B10R1.30 NC1=C(C=C(N=C1)Br)C=O Z1416167145 [2,0,0,0,0,0|2,0,0]=4 60 B10R1.30 NC1=C(C=C(N=C1)Cl)C=O Z1255387836 [2,0,0,0,0,0|2,0,0]=4 61 B10R1.30 O=CC1=C(C=CC(=C1)Br)O Z57313901 [2,0,0,0,0,0|2,0,0]=4 62 B10R1.30 O=CC1=C(C=CC(=C1)Cl)O Z57772439 [2,0,0,0,0,0|2,0,0]=4 63 B10R1.30 O=CC1=C(C=CC(=C1)F)O Z415638796 [2,0,0,0,0,0|2,0,0]=4 64 B10R1.30 O=CC1=C(C=CC(=C1)O)O Z586251264 [2,0,0,0,0,0|2,0,0]=4 65 B10R1.30 O=CC1=C(C=NC(=C1)Cl)O Z1255357850 [2,0,0,0,0,0|1,0,0]=3 66 B10R1.2 CC1=C(C(=CC=C1)C=O)Br Z1255464769 [2,0,0,0,0,0|2,0,0]=4 67 B10R1.2 CC1=C(C(=CC=C1)C=O)C Z147641438 [2,0,0,0,0,0|2,0,0]=4 68 B10R1.2 CC1=C(C(=CC=C1)C=O)F Z1255387503 [2,0,0,0,0,0|2,0,0]=4 69 B10R1.2 CC1=C(C(=CC=C1)C=O)N Z1203582628 [2,0,0,0,0,0|2,0,0]=4 70 B10R1.2 CC1=C(C(=CC=C1)C=O)O Z406682006 [2,0,0,0,0,0|1,0,0]=3 71 B10R1.2 CC1=C(C=CN=C1N)C=O Z1255417974 [2,0,0,0,0,0|2,0,0]=4 72 B10R1.2 NC1=C(C=CN=C1Br)C=O Z1269115702 [2,0,0,0,0,0|2,0,0]=4 73 B10R1.2 NC1=C(C=CN=C1Cl)C=O Z1255385919 [2,0,0,0,0,0|2,0,0]=4 74 B10R1.2 O=CC1=C(C(=CC=C1)Br)O Z354084788 [2,0,0,0,0,0|2,0,0]=4 75 B10R1.2 O=CC1=C(C(=CC=C1)Cl)O Z406682010 [2,0,0,0,0,0|2,0,0]=4 76 B10R1.2 O=CC1=C(C(=CC=C1)F)O Z406682008 [2,0,0,0,0,0|2,0,0]=4 77 B10R1.2 O=CC1=CC=CC(=C1O)O Z56899185 [2,0,0,0,0,0|2,0,0]=4 78 B10R1.119 CC1=C(C(=C(C=C1)C)O)C Z104479158 [2,0,0,0,0,0|1,0,1]=4 79 B10R1.119 CC1=C(C(=C(C=C1)C)O)O Z1513803660 [2,0,0,0,0,0|1,0,1]=4 80 B10R1.119 CC1=C(C(=C(N=C1)C)C)N Z2310717132 [2,0,0,0,0,0|2,0,0]=4 81 B10R1.119 CC1=C(C(=C(N=C1)C)O)C Z4984123266 [2,0,0,0,0,0|0,0,1]=3 82 B10R1.119 CC1=C(C(=O)N(C=N1)C)Br Z1272120433 [2,0,0,0,0,0|2,0,0]=4 83 B10R1.245 CC1=C(C(=CC=C1)Br)C=O Z1255468524 [2,0,0,0,0,0|2,0,0]=4 84 B10R1.245 CC1=C(C(=CC=C1)Cl)C=O Z1203162282 [2,0,0,0,0,0|2,0,0]=4 85 B10R1.245 CC1=C(C(=CC=C1)F)C=O Z1255490372 [2,0,0,0,0,0|2,0,0]=4 86 B10R1.245 CC1=C(C(=CC=C1)O)C=O Z1255404975 [2,0,0,0,0,0|1,0,0]=3 87 B10R1.245 CC1=CC=CC(=C1C=O)C Z1233237340 [2,0,0,0,0,0|2,0,0]=4 88 B10R1.245 CC1=CN=CC(=C1C=O)C Z1198168749 [2,0,0,0,0,0|1,0,0]=3 89 B10R1.245 O=CC1=C(C=CC=C1Br)O Z1269175728 [2,0,0,0,0,0|2,0,0]=4 90 B10R1.245 O=CC1=C(C=CC=C1Cl)O Z385458800 [2,0,0,0,0,0|2,0,0]=4 91 B10R1.245 O=CC1=C(C=CC=C1F)O Z1201620838 [2,0,0,0,0,0|2,0,0]=4 92 B10R1.245 O=CC1=C(C=CC=C1O)O Z1198175863 [2,0,0,0,0,0|1,0,0]=3 93 B10R1.245 O=CC1=C(C=NC=C1Br)Br Z1269207062 [2,0,0,0,0,0|2,0,0]=4 94 B10R1.245 O=CC1=C(C=NC=C1Br)Cl Z1269110687 [2,0,0,0,0,0|2,0,0]=4 95 B10R1.245 O=CC1=C(C=NC=C1Br)F Z1269185425 [2,0,0,0,0,0|2,0,0]=4 96 B10R1.245 O=CC1=C(C=NC=C1Cl)Cl Z1255465715 [2,0,0,0,0,0|2,0,0]=4 97 B10R1.245 O=CC1=C(C=NC=C1Cl)O Z1255504780 [2,0,0,0,0,0|1,0,0]=3 98 B10R1.245 O=CC1=C(C=NC=C1F)F Z1201624026 [2,0,0,0,0,0|2,0,0]=4 99 B10R1.176 CC1=C(C=C(C=C1)CN)O Z3951014909 [2,0,0,0,0,0|2,0,0]=4 100 B10R1.176 CC1=C(C=C(C=C1)CO)Br Z1269190523 [2,0,0,0,0,0|2,0,0]=4 101 B10R1.176 CC1=C(C=C(C=C1)CO)I Z1269159118 [2,0,0,0,0,0|2,0,0]=4 102 B10R1.176 CC1=C(C=C(C=C1)CO)N Z1203578220 [2,0,0,0,0,0|2,0,0]=4 103 B10R1.176 CC1=C(N=CC(=C1)CN)C Z3300709046 [2,0,0,0,0,0|2,0,0]=4 104 B10R1.176 CC1=C(N=CC(=C1)CO)C Z1255392915 [2,0,0,0,0,0|1,0,0]=3 105 B10R1.176 CC1=C(N=NC(=C1)CO)C Z4189815936 [2,0,0,0,0,0|2,0,0]=4 106 B10R1.176 NC1=C(C=C(C=N1)CO)Cl Z1065630414 [2,0,0,0,0,0|2,0,0]=4 107 B10R1.176 OCC1=CC(=C(C=C1)I)O Z1269159331 [2,0,0,0,0,0|2,0,0]=4 108 B12R1.46 CC1=CC(=C(C=C1)CO)[N+](=O)[O-] Z1198176995 [1,1,0,0,0,0|2,0,0]=4 109 B12R1.46 CCC1=C(C=C(C=C1)C)C(=O)O Z1551918805 [1,1,0,0,0,0|2,0,0]=4 110 B12R1.46 CCC1=C(C=C(N=N1)C)C(=O)O Z1504683322 [1,1,0,0,0,0|2,0,0]=4 111 B12R1.78 COC1=CC(=NC=C1CO)OC Z1862017631 [1,1,0,0,0,0|2,0,0]=4 112 B12R1.98 CC1=C(C(=C(C(=C1)Br)C)O)C=O Z2723692122 [1,1,0,0,0,0|1,0,0]=3 113 B12R1.98 CC1=C(C(=C(C=C1O)O)C=O)O Z1511749639 [1,1,0,0,0,0|1,0,0]=3 114 B12R1.654 COC1=C(C(=C(C=C1)Br)C=O)O Z1269238472 [1,1,0,0,0,0|2,0,0]=4 115 B12R1.654 COC1=C(C(=C(C=C1)C)C=O)Br Z3014157350 [1,1,0,0,0,0|2,0,0]=4 116 B12R1.705 CC1=CC(=C(C(=C1C)C=O)C)C Z385369876 [1,1,0,0,0,0|2,0,0]=4 117 B12R1.894 CC1=C(C(=C(C=C1)C)C(=O)O)N Z228589668 [1,1,0,0,0,0|2,0,0]=4 118 B12R1.894 CC1=C(C(=C(C=C1)C)C(=O)O)O Z367679246 [1,1,0,0,0,0|1,0,0]=3 119 B12R1.894 CC1=C(C(=C(C=C1)Cl)C(=O)O)O Z1262539782 [1,1,0,0,0,0|2,0,0]=4 120 B12R1.894 CC1=C(C(=C(C=C1)Cl)O)C(=O)O Z979482256 [1,1,0,0,0,0|2,0,0]=4 121 B12R1.894 CC1=C(C(=C(C=C1)F)C(=O)O)O Z1504689050 [1,1,0,0,0,0|2,0,0]=4 122 B12R1.894 CC1=C(C(=C(C=C1)F)O)C(=O)O Z1250417806 [1,1,0,0,0,0|2,0,0]=4 123 B12R1.894 O=C(O)C1=C(C(=CC=C1O)Cl)O Z1198163198 [1,1,0,0,0,0|2,0,0]=4 124 B12R1.87 O=CC1=C(C=CC=C1O)C(=O)O Z1255385760 [1,1,0,0,0,0|1,0,1]=4 125 B12R1.437 O=[N+]([O-])C1=C(C=CC=C1O)CO Z1198275171 [1,1,0,0,0,0|2,0,0]=4 126 B12R1.595 CCC1=NN(C(=C1C=O)OC)C Z1553860304 [0,1,0,0,1,0|2,0,0]=4 127 B14R1.7434 CCNCC1=C(C=NC(=C1O)C)CO Z2327029975 [0,2,0,0,0,0|1,0,1]=4 128 B12R2.132 CC1=CC2=C(C=C1)CCC2=O Z814904824 [1,0,0,1,0,0|2,0,0]=4 129 B12R2.132 CC1=CC2=C(C=C1)COC2=O Z1255391985 [1,0,0,1,0,0|1,0,0]=3 130 B12R2.132 NC1=CC2=C(C=C1)COC2=O Z276599558 [1,0,0,1,0,0|2,0,0]=4 131 B12R2.132 O=C1NCC2=CN=C(C=C12)Cl Z1551924729 [1,0,0,1,0,0|2,0,0]=4 132 B12R2.132 O=C1OCC2=C1C=C(C=C2)Br Z1258932820 [1,0,0,1,0,0|2,0,0]=4 133 B12R2.132 O=C1OCC2=C1C=C(C=C2)F Z1198309551 [1,0,0,1,0,0|2,0,0]=4 134 B12R2.132 O=C1OCC2=C1C=C(C=C2)O Z1198181162 [1,0,0,1,0,0|2,0,0]=4 135 B12R2.82 CC1=C(C2=C(C=N1)COC2)O Z1216824433 [1,0,0,1,0,0|0,0,2]=4 136 B12R2.203 O=C1CCC2=CC=CC(=C12)O Z1255416018 [1,0,0,1,0,0|2,0,0]=4 137 B12R2.203 O=C1NCC2=CC=CC(=C12)O Z1203833101 [1,0,0,1,0,0|2,0,0]=4 138 B10R1.32 CCC1=NN(C=C1C=O)C Z1198181502 [1,0,0,0,1,0|2,0,0]=4 139 B10R1.32 CCN1N=C(C=C1C=O)C Z1270329988 [1,0,0,0,1,0|2,0,0]=4 140 B10R1.257 CCC1=C(C(=NO1)C)C=O Z1511852808 [1,0,0,0,1,0|2,0,0]=4 141 B10R1.256 CC1=C(C(=C(N1)C)C=O)Br Z1617994393 [1,0,0,0,1,0|1,0,1]=4 142 B10R1.256 CC1=C(C(=C(N1)C)C=O)C Z1201626744 [1,0,0,0,1,0|1,0,1]=4 143 B10R1.256 CC1=C(C(=C(S1)C)C=O)Br Z2182013577 [1,0,0,0,1,0|2,0,0]=4 144 B10R1.256 CC1=CC(=C(N1C)C=O)C Z1251356966 [1,0,0,0,1,0|2,0,0]=4 145 B10R1.256 CC1=NN(C(=C1Br)C=O)C Z1416198537 [1,0,0,0,1,0|2,0,0]=4 146 B10R1.256 CC1=NN(C(=C1C=O)Br)C Z1269162085 [1,0,0,0,1,0|2,0,0]=4 147 B10R1.256 CC1=NN(C(=C1C=O)C)C Z55928811 [1,0,0,0,1,0|2,0,0]=4 148 B10R1.256 CC1=NN(C(=C1C=O)Cl)C Z217291800 [1,0,0,0,1,0|2,0,0]=4 149 B10R1.256 CC1=NN(C(=C1C=O)F)C Z1681372306 [1,0,0,0,1,0|2,0,0]=4 150 B10R1.256 CC1=NN(C(=C1C=O)N)C Z1203581764 [1,0,0,0,1,0|2,0,0]=4 151 B10R1.256 CC1=NN(C(=C1Cl)C=O)C Z1255498752 [1,0,0,0,1,0|2,0,0]=4