0 B7R1.2 Brc1ccc(Br)o1 Amb19651339 [0,0,0,0,0,0|2,0,2]=4 1 B7R1.2 Brc1cnc(Br)o1 Amb27844511 [0,0,0,0,0,0|3,0,1]=4 2 B7R1.2 Brc1cnc(I)o1 Amb27219795 [0,0,0,0,0,0|3,0,1]=4 3 B7R1.2 C=C1CCC(Br)C1 Amb25135798 [0,0,0,0,0,0|3,0,1]=4 4 B7R1.2 C=C1CNC(=S)S1 Amb2610626 [0,0,0,0,0,0|2,2,0]=4 5 B7R1.2 C=C1COC(=O)C1 Amb24589821 [0,0,0,0,0,0|3,0,0]=3 6 B7R1.2 C=C1NC(=O)CO1 Amb27847146 [0,0,0,0,0,0|3,0,0]=3 7 B7R1.2 CC1=CC(=O)CC1 Amb6608696 [0,0,0,0,0,0|2,0,0]=2 8 B7R1.2 CC1=CC(=O)CN1 Amb27390872 [0,0,0,0,0,0|3,0,0]=3 9 B7R1.2 CC1=CC(=O)CO1 Amb22372192 [0,0,0,0,0,0|3,0,0]=3 10 B7R1.2 CC1=CC(=O)NC1 Amb24479892 [0,0,0,0,0,0|3,0,0]=3 11 B7R1.2 CC1=CC(=O)NN1 Amb19770794 [0,0,0,0,0,0|4,0,0]=4 12 B7R1.2 CC1=CC(=O)NO1 Amb19338707 [0,0,0,0,0,0|4,0,0]=4 13 B7R1.2 CC1=CC(=O)OC1 Amb22002703 [0,0,0,0,0,0|3,0,0]=3 14 B7R1.2 CC1=CC(C)CC1 Amb24479860 [0,0,0,0,0,0|3,0,1]=4 15 B7R1.2 CC1=CC(N)CC1 Amb28186103 [0,0,0,0,0,0|3,0,1]=4 16 B7R1.2 CC1=CCC(O)O1 Amb27241898 [0,0,0,0,0,0|1,0,3]=4 17 B7R1.2 CC1=CNC(=O)N1 Amb20667076 [0,0,0,0,0,0|3,0,1]=4 18 B7R1.2 CC1=COC(=O)C1 Amb27624758 [0,0,0,0,0,0|3,0,1]=4 19 B7R1.2 CC1=COC(=O)N1 Amb27185570 [0,0,0,0,0,0|3,0,1]=4 20 B7R1.2 CC1=CSC(=O)N1 Amb19372452 [0,0,0,0,0,0|3,0,1]=4 21 B7R1.2 CC1=NC(=O)CS1 Amb27838191 [0,0,0,0,0,0|3,0,0]=3 22 B7R1.2 CC1=NC(=O)N=N1 Amb27847426 [0,0,0,0,0,0|4,0,0]=4 23 B7R1.2 CC1=NC(=O)ON1 Amb22491279 [0,0,0,0,0,0|4,0,0]=4 24 B7R1.2 CC1=NCC(=O)N1 Amb27827848 [0,0,0,0,0,0|3,0,0]=3 25 B7R1.2 CC1=NCC(=O)O1 Amb27783804 [0,0,0,0,0,0|2,0,0]=2 26 B7R1.2 CC1=NNC(=O)C1 Amb932788 [0,0,0,0,0,0|4,0,0]=4 27 B7R1.2 CC1=NNC(=O)O1 Amb19957998 [0,0,0,0,0,0|3,0,0]=3 28 B7R1.2 CC1=NNC(=S)O1 Amb19200119 [0,0,0,0,0,0|3,1,0]=4 29 B7R1.2 CC1=NOC(=O)C1 Amb22274079 [0,0,0,0,0,0|4,0,0]=4 30 B7R1.2 CC1=NSC(=O)O1 Amb22395221 [0,0,0,0,0,0|3,0,0]=3 31 B7R1.2 CC1C=CC(=O)O1 Amb24053964 [0,0,0,0,0,0|1,0,3]=4 32 B7R1.2 CC1CC(=O)CN1 Amb28349308 [0,0,0,0,0,0|3,0,1]=4 33 B7R1.2 CC1CC(=O)CO1 Amb25888380 [0,0,0,0,0,0|3,0,1]=4 34 B7R1.2 CC1CC(=O)CS1 Amb23598370 [0,0,0,0,0,0|3,0,1]=4 35 B7R1.2 CC1CCC(=O)C1 Amb8513672 [0,0,0,0,0,0|2,0,1]=3 36 B7R1.2 CC1CCC(=O)N1 Amb19267101 [0,0,0,0,0,0|2,0,1]=3 37 B7R1.2 CC1CCC(=O)O1 Amb6298321 [0,0,0,0,0,0|1,0,1]=2 38 B7R1.2 CC1CCC(=O)S1 Amb27252897 [0,0,0,0,0,0|1,1,1]=3 39 B7R1.2 CC1CCC(=S)N1 Amb27849283 [0,0,0,0,0,0|2,1,1]=4 40 B7R1.2 CC1CN=C(Cl)O1 Amb27959043 [0,0,0,0,0,0|3,0,1]=4 41 B7R1.2 CC1CN=C(N)O1 Amb26657342 [0,0,0,0,0,0|3,0,1]=4 42 B7R1.2 CC1CN=C(N)O1 Amb33611634 [0,0,0,0,0,0|3,0,1]=4 43 B7R1.2 CC1CNC(=O)C1 Amb10608004 [0,0,0,0,0,0|3,0,1]=4 44 B7R1.2 CC1CNC(=O)N1 Amb17506853 [0,0,0,0,0,0|3,0,1]=4 45 B7R1.2 CC1CNC(=O)O1 Amb19651732 [0,0,0,0,0,0|2,0,1]=3 46 B7R1.2 CC1COC(=O)C1 Amb22231914 [0,0,0,0,0,0|3,0,1]=4 47 B7R1.2 CC1COC(=O)N1 Amb19517037 [0,0,0,0,0,0|3,0,1]=4 48 B7R1.2 CC1COC(=O)O1 Amb8513300 [0,0,0,0,0,0|2,0,1]=3 49 B7R1.2 CC1COS(=O)O1 Amb22346070 [0,0,0,0,0,0|3,0,1]=4 50 B7R1.2 CC1CSC(=O)N1 Amb28320497 [0,0,0,0,0,0|3,0,1]=4 51 B7R1.2 CC1NC(=O)CS1 Amb27806202 [0,0,0,0,0,0|3,0,1]=4 52 B7R1.2 CC1NCC(=O)N1 Amb28456791 [0,0,0,0,0,0|3,0,1]=4 53 B7R1.2 CC1OC(=O)CS1 Amb25314322 [0,0,0,0,0,0|2,0,1]=3 54 B7R1.2 CN1CCC(=O)C1 Amb22236123 [0,0,0,0,0,0|3,0,0]=3 55 B7R1.2 CN1CCC(=O)C1 Amb8947873 [0,0,0,0,0,0|3,0,0]=3 56 B7R1.2 CN1CCC(=O)N1 Amb24064860 [0,0,0,0,0,0|3,0,0]=3 57 B7R1.2 CN1CCC(N)=N1 Amb28827647 [0,0,0,0,0,0|4,0,0]=4 58 B7R1.2 C[C@@H]1CCC(=O)C1 Amb10844734 [0,0,0,0,0,0|2,0,1]=3 59 B7R1.2 C[C@@H]1CCC(=O)N1 Amb24116991 [0,0,0,0,0,0|2,0,1]=3 60 B7R1.2 C[C@@H]1CCC(=O)O1 Amb4166301 [0,0,0,0,0,0|1,0,1]=2 61 B7R1.2 C[C@@H]1CN=C(N)O1 Amb33742469 [0,0,0,0,0,0|3,0,1]=4 62 B7R1.2 C[C@@H]1CNC(=O)C1 Amb22746719 [0,0,0,0,0,0|3,0,1]=4 63 B7R1.2 C[C@@H]1CNC(=O)O1 Amb25041458 [0,0,0,0,0,0|2,0,1]=3 64 B7R1.2 C[C@@H]1COC(=O)C1 Amb19944613 [0,0,0,0,0,0|3,0,1]=4 65 B7R1.2 C[C@@H]1COC(=O)N1 Amb22745849 [0,0,0,0,0,0|3,0,1]=4 66 B7R1.2 C[C@@H]1COC(=O)O1 Amb8383956 [0,0,0,0,0,0|2,0,1]=3 67 B7R1.2 C[C@@H]1COS(=O)O1 Amb27979548 [0,0,0,0,0,0|3,0,1]=4 68 B7R1.2 C[C@H]1CCC(=O)O1 Amb26539040 [0,0,0,0,0,0|1,0,1]=2 69 B7R1.2 C[C@H]1CN=C(N)O1 Amb33744016 [0,0,0,0,0,0|3,0,1]=4 70 B7R1.2 C[C@H]1CNC(=O)C1 Amb26584475 [0,0,0,0,0,0|3,0,1]=4 71 B7R1.2 C[C@H]1CNC(=O)N1 Amb27413051 [0,0,0,0,0,0|3,0,1]=4 72 B7R1.2 C[C@H]1CNC(=S)O1 Amb27843992 [0,0,0,0,0,0|2,1,1]=4 73 B7R1.2 C[C@H]1COC(=O)C1 Amb25064301 [0,0,0,0,0,0|3,0,1]=4 74 B7R1.2 C[C@H]1COC(=O)N1 Amb8391158 [0,0,0,0,0,0|3,0,1]=4 75 B7R1.2 C[C@H]1COC(=O)O1 Amb8516313 [0,0,0,0,0,0|2,0,1]=3 76 B7R1.2 Cc1ccc(Br)o1 Amb10600628 [0,0,0,0,0,0|2,0,2]=4 77 B7R1.2 Cc1ccc(C)o1 Amb2447078 [0,0,0,0,0,0|2,0,2]=4 78 B7R1.2 Cc1ccc(Cl)o1 Amb25242029 [0,0,0,0,0,0|2,0,2]=4 79 B7R1.2 Cc1ccc(F)o1 Amb27397440 [0,0,0,0,0,0|2,0,2]=4 80 B7R1.2 Cc1ccc(I)o1 Amb25723970 [0,0,0,0,0,0|2,0,2]=4 81 B7R1.2 Cc1ccc(N)o1 Amb10600629 [0,0,0,0,0,0|2,0,2]=4 82 B7R1.2 Cc1ccc(O)o1 Amb26645726 [0,0,0,0,0,0|1,0,3]=4 83 B7R1.2 Cc1ccc(S)o1 Amb25888543 [0,0,0,0,0,0|1,1,2]=4 84 B7R1.2 Cc1cnc(Br)o1 Amb24113164 [0,0,0,0,0,0|3,0,1]=4 85 B7R1.2 Cc1cnc(Br)o1 Amb25861323 [0,0,0,0,0,0|3,0,1]=4 86 B7R1.2 Cc1cnc(C)o1 Amb23399817 [0,0,0,0,0,0|3,0,1]=4 87 B7R1.2 Cc1cnc(Cl)o1 Amb19516434 [0,0,0,0,0,0|3,0,1]=4 88 B7R1.2 Cc1cnc(Cl)o1 Amb24117495 [0,0,0,0,0,0|3,0,1]=4 89 B7R1.2 Cc1cnc(I)o1 Amb27757971 [0,0,0,0,0,0|3,0,1]=4 90 B7R1.2 Cc1cnc(N)o1 Amb18277977 [0,0,0,0,0,0|3,0,1]=4 91 B7R1.2 Cc1ncc(Br)o1 Amb26978784 [0,0,0,0,0,0|3,0,1]=4 92 B7R1.2 Cc1ncc(I)o1 Amb33803186 [0,0,0,0,0,0|3,0,1]=4 93 B7R1.2 Cc1ncc(N)o1 Amb18061806 [0,0,0,0,0,0|3,0,1]=4 94 B7R1.2 Cc1ncc(O)o1 Amb26530422 [0,0,0,0,0,0|2,0,2]=4 95 B7R1.2 Cc1nnc(Br)o1 Amb9173754 [0,0,0,0,0,0|4,0,0]=4 96 B7R1.2 Cc1nnc(C)o1 Amb3702550 [0,0,0,0,0,0|4,0,0]=4 97 B7R1.2 Cc1nnc(Cl)o1 Amb18062393 [0,0,0,0,0,0|4,0,0]=4 98 B7R1.2 Cc1nnc(I)o1 Amb25197940 [0,0,0,0,0,0|4,0,0]=4 99 B7R1.2 Cc1nnc(N)o1 Amb1107346 [0,0,0,0,0,0|4,0,0]=4 100 B7R1.2 Cc1nnc(O)o1 Amb15701519 [0,0,0,0,0,0|3,0,1]=4 101 B7R1.2 Cc1nnc(S)o1 Amb1107237 [0,0,0,0,0,0|3,1,0]=4 102 B7R1.2 ClC1=CC(Br)CC1 Amb27232977 [0,0,0,0,0,0|3,0,1]=4 103 B7R1.2 Clc1ccc(Br)o1 Amb28122976 [0,0,0,0,0,0|2,0,2]=4 104 B7R1.2 Clc1ccc(I)o1 Amb24752684 [0,0,0,0,0,0|2,0,2]=4 105 B7R1.2 Clc1cnc(I)o1 Amb28048246 [0,0,0,0,0,0|3,0,1]=4 106 B7R1.2 Fc1ccc(Br)o1 Amb18199668 [0,0,0,0,0,0|2,0,2]=4 107 B7R1.2 Fc1ccc(Cl)o1 Amb26862440 [0,0,0,0,0,0|2,0,2]=4 108 B7R1.2 Fc1ccc(F)o1 Amb27634413 [0,0,0,0,0,0|2,0,2]=4 109 B7R1.2 N=C1C=C(N)CO1 Amb27631497 [0,0,0,0,0,0|4,0,0]=4 110 B7R1.2 N=C1C=C(O)CO1 Amb27445689 [0,0,0,0,0,0|3,0,1]=4 111 B7R1.2 N=C1C=C(O)CS1 Amb27438020 [0,0,0,0,0,0|3,0,1]=4 112 B7R1.2 N=C1CC(=O)CS1 Amb27227202 [0,0,0,0,0,0|3,0,0]=3 113 B7R1.2 N=C1CSC(=O)N1 Amb2537154 [0,0,0,0,0,0|3,0,0]=3 114 B7R1.2 N=C1CSC([NH3+])=N1 Amb24113841 [0,0,0,0,0,0|4,0,0]=4 115 B7R1.2 N=C1N=C(N)CO1 Amb27963218 [0,0,0,0,0,0|4,0,0]=4 116 B7R1.2 N=C1N=C(N)CS1 Amb22490404 [0,0,0,0,0,0|4,0,0]=4 117 B7R1.2 N=C1NC(=O)CS1 Amb8468365 [0,0,0,0,0,0|3,0,0]=3 118 B7R1.2 NC1=CC(=O)CC1 Amb9753541 [0,0,0,0,0,0|2,0,0]=2 119 B7R1.2 NC1=CC(=O)CS1 Amb22229937 [0,0,0,0,0,0|3,0,0]=3 120 B7R1.2 NC1=CC(=O)N=N1 Amb4005026 [0,0,0,0,0,0|4,0,0]=4 121 B7R1.2 NC1=CC(=O)NC1 Amb27454229 [0,0,0,0,0,0|3,0,0]=3 122 B7R1.2 NC1=CC(=O)NN1 Amb18941269 [0,0,0,0,0,0|4,0,0]=4 123 B7R1.2 NC1=CC(=O)NO1 Amb20103209 [0,0,0,0,0,0|4,0,0]=4 124 B7R1.2 NC1=CCC(=O)N1 Amb25757914 [0,0,0,0,0,0|2,0,1]=3 125 B7R1.2 NC1=CCC(N)=N1 Amb28052771 [0,0,0,0,0,0|3,0,1]=4 126 B7R1.2 NC1=NC(=O)CN1 Amb18639307 [0,0,0,0,0,0|3,0,0]=3 127 B7R1.2 NC1=NC(=O)CO1 Amb9797441 [0,0,0,0,0,0|3,0,0]=3 128 B7R1.2 NC1=NC(=O)CS1 Amb6364701 [0,0,0,0,0,0|3,0,0]=3 129 B7R1.2 NC1=NC(=O)NC1 Amb22059492 [0,0,0,0,0,0|3,0,0]=3 130 B7R1.2 NC1=NC(=O)NN1 Amb21962525 [0,0,0,0,0,0|4,0,0]=4 131 B7R1.2 NC1=NC(=O)ON1 Amb24060381 [0,0,0,0,0,0|4,0,0]=4 132 B7R1.2 NC1=NC(=S)SC1 Amb27842408 [0,0,0,0,0,0|3,1,0]=4 133 B7R1.2 NC1=NCC(=O)N1 Amb21964674 [0,0,0,0,0,0|3,0,0]=3 134 B7R1.2 NC1=NCC(=O)N1 Amb475286 [0,0,0,0,0,0|3,0,0]=3 135 B7R1.2 NC1=NCC(=O)S1 Amb25810910 [0,0,0,0,0,0|2,1,0]=3 136 B7R1.2 NC1=NNC(=O)C1 Amb6409420 [0,0,0,0,0,0|4,0,0]=4 137 B7R1.2 NC1=NNC(=O)N1 Amb33527975 [0,0,0,0,0,0|4,0,0]=4 138 B7R1.2 NC1=NNC(=O)S1 Amb20248715 [0,0,0,0,0,0|3,1,0]=4 139 B7R1.2 NC1CCC(=O)C1 Amb22494268 [0,0,0,0,0,0|2,0,1]=3 140 B7R1.2 NC1CCC(=O)N1 Amb24480433 [0,0,0,0,0,0|2,0,1]=3 141 B7R1.2 NC1CCC(=O)O1 Amb17593085 [0,0,0,0,0,0|1,0,1]=2 142 B7R1.2 NC1CCS(=O)C1 Amb19149072 [0,0,0,0,0,0|3,0,1]=4 143 B7R1.2 NC1CCS(=O)C1 Amb25133789 [0,0,0,0,0,0|3,0,1]=4 144 B7R1.2 NC1CNC(=O)C1 Amb17760661 [0,0,0,0,0,0|3,0,1]=4 145 B7R1.2 NC1CNC(=O)C1 Amb33544169 [0,0,0,0,0,0|3,0,1]=4 146 B7R1.2 NC1COC(=O)C1 Amb30594428 [0,0,0,0,0,0|3,0,1]=4 147 B7R1.2 NC1COC(=O)C1 Amb9782136 [0,0,0,0,0,0|3,0,1]=4 148 B7R1.2 NC1CSC(=O)N1 Amb27596093 [0,0,0,0,0,0|3,0,1]=4 149 B7R1.2 N[C@@H]1CNC(=O)C1 Amb22226165 [0,0,0,0,0,0|3,0,1]=4 150 B7R1.2 N[C@@H]1CNC(=O)C1 Amb22756464 [0,0,0,0,0,0|3,0,1]=4 151 B7R1.2 N[C@@H]1CNC(=O)C1 Amb33714529 [0,0,0,0,0,0|3,0,1]=4 152 B7R1.2 N[C@@H]1COC(=O)C1 Amb16233747 [0,0,0,0,0,0|3,0,1]=4 153 B7R1.2 N[C@@H]1COC(=O)C1 Amb26477774 [0,0,0,0,0,0|3,0,1]=4 154 B7R1.2 N[C@H]1CCC(=O)N1 Amb27482175 [0,0,0,0,0,0|2,0,1]=3 155 B7R1.2 N[C@H]1CNC(=O)C1 Amb22225365 [0,0,0,0,0,0|3,0,1]=4 156 B7R1.2 N[C@H]1CNC(=O)C1 Amb33801336 [0,0,0,0,0,0|3,0,1]=4 157 B7R1.2 N[C@H]1COC(=O)C1 Amb19516097 [0,0,0,0,0,0|3,0,1]=4 158 B7R1.2 N[C@H]1COC(=O)C1 Amb25264112 [0,0,0,0,0,0|3,0,1]=4 159 B7R1.2 Nc1ccc(Br)o1 Amb13884560 [0,0,0,0,0,0|2,0,2]=4 160 B7R1.2 Nc1ccc(Cl)o1 Amb25360216 [0,0,0,0,0,0|2,0,2]=4 161 B7R1.2 Nc1ccc(F)o1 Amb18202898 [0,0,0,0,0,0|2,0,2]=4 162 B7R1.2 Nc1ccc(I)o1 Amb25888418 [0,0,0,0,0,0|2,0,2]=4 163 B7R1.2 Nc1ccc(N)o1 Amb18203063 [0,0,0,0,0,0|2,0,2]=4 164 B7R1.2 Nc1ccc(O)o1 Amb24526005 [0,0,0,0,0,0|1,0,3]=4 165 B7R1.2 Nc1ncc(Br)o1 Amb27263501 [0,0,0,0,0,0|3,0,1]=4 166 B7R1.2 O=C1C=C(Br)CC1 Amb23399816 [0,0,0,0,0,0|2,0,0]=2 167 B7R1.2 O=C1C=C(Br)CN1 Amb23402184 [0,0,0,0,0,0|3,0,0]=3 168 B7R1.2 O=C1C=C(Br)CO1 Amb10067500 [0,0,0,0,0,0|3,0,0]=3 169 B7R1.2 O=C1C=C(Cl)CC1 Amb9753542 [0,0,0,0,0,0|2,0,0]=2 170 B7R1.2 O=C1C=C(I)CO1 Amb2455617 [0,0,0,0,0,0|3,0,0]=3 171 B7R1.2 O=C1C=C(O)CC1 Amb9901808 [0,0,0,0,0,0|1,0,1]=2 172 B7R1.2 O=C1C=C(O)CN1 Amb20623530 [0,0,0,0,0,0|2,0,1]=3 173 B7R1.2 O=C1C=C(O)CO1 Amb628324 [0,0,0,0,0,0|2,0,1]=3 174 B7R1.2 O=C1C=C(S)CO1 Amb28323506 [0,0,0,0,0,0|2,1,0]=3 175 B7R1.2 O=C1C=C(S)CS1 Amb27877546 [0,0,0,0,0,0|2,1,0]=3 176 B7R1.2 O=C1C=CC(=O)C1 Amb22338203 [0,0,0,0,0,0|1,0,2]=3 177 B7R1.2 O=C1C=CC(=O)N1 Amb1235242 [0,0,0,0,0,0|1,0,2]=3 178 B7R1.2 O=C1C=CC(=O)O1 Amb20246531 [0,0,0,0,0,0|0,0,2]=2 179 B7R1.2 O=C1C=CC(=O)O1 Amb6297783 [0,0,0,0,0,0|0,0,2]=2 180 B7R1.2 O=C1C=CC(Br)O1 Amb22001603 [0,0,0,0,0,0|1,0,3]=4 181 B7R1.2 O=C1C=CC(Cl)O1 Amb27760027 [0,0,0,0,0,0|1,0,3]=4 182 B7R1.2 O=C1C=CC(F)O1 Amb27778280 [0,0,0,0,0,0|1,0,3]=4 183 B7R1.2 O=C1C=CC(O)=N1 Amb22552540 [0,0,0,0,0,0|1,0,3]=4 184 B7R1.2 O=C1C=CC(O)O1 Amb24544763 [0,0,0,0,0,0|0,0,4]=4 185 B7R1.2 O=C1CC(=O)NN1 Amb9809314 [0,0,0,0,0,0|3,0,0]=3 186 B7R1.2 O=C1CC(=O)ON1 Amb33714889 [0,0,0,0,0,0|3,0,0]=3 187 B7R1.2 O=C1CC(Br)=CO1 Amb27263920 [0,0,0,0,0,0|3,0,1]=4 188 B7R1.2 O=C1CC(Cl)=CS1 Amb27239976 [0,0,0,0,0,0|3,0,1]=4 189 B7R1.2 O=C1CC(F)CO1 Amb24431109 [0,0,0,0,0,0|3,0,1]=4 190 B7R1.2 O=C1CC(I)CO1 Amb27401189 [0,0,0,0,0,0|3,0,1]=4 191 B7R1.2 O=C1CC(O)CN1 Amb19958404 [0,0,0,0,0,0|2,0,2]=4 192 B7R1.2 O=C1CC(O)CO1 Amb4006296 [0,0,0,0,0,0|2,0,2]=4 193 B7R1.2 O=C1CC(S)CN1 Amb25685875 [0,0,0,0,0,0|2,1,1]=4 194 B7R1.2 O=C1CC=C(Br)S1 Amb25961289 [0,0,0,0,0,0|1,1,1]=3 195 B7R1.2 O=C1CC=C(S)S1 Amb27621600 [0,0,0,0,0,0|0,2,1]=3 196 B7R1.2 O=C1CCC(=O)C1 Amb2696524 [0,0,0,0,0,0|1,0,0]=1 197 B7R1.2 O=C1CCC(=O)N1 Amb2793049 [0,0,0,0,0,0|1,0,0]=1 198 B7R1.2 O=C1CCC(=O)O1 Amb2793017 [0,0,0,0,0,0|0,0,0]=0 199 B7R1.2 O=C1CCC(=O)S1 Amb2691584 [0,0,0,0,0,0|0,1,0]=1 200 B7R1.2 O=C1CCC(=S)N1 Amb28122939 [0,0,0,0,0,0|1,1,0]=2 201 B7R1.2 O=C1CCC(Br)C1 Amb24334292 [0,0,0,0,0,0|2,0,1]=3 202 B7R1.2 O=C1CCC(Br)N1 Amb27592181 [0,0,0,0,0,0|2,0,1]=3 203 B7R1.2 O=C1CCC(Br)O1 Amb24556526 [0,0,0,0,0,0|1,0,1]=2 204 B7R1.2 O=C1CCC(Cl)C1 Amb26585347 [0,0,0,0,0,0|2,0,1]=3 205 B7R1.2 O=C1CCC(Cl)O1 Amb27477474 [0,0,0,0,0,0|1,0,1]=2 206 B7R1.2 O=C1CCC(F)C1 Amb21963553 [0,0,0,0,0,0|2,0,1]=3 207 B7R1.2 O=C1CCC(O)C1 Amb22057378 [0,0,0,0,0,0|1,0,2]=3 208 B7R1.2 O=C1CCC(O)O1 Amb22740957 [0,0,0,0,0,0|0,0,2]=2 209 B7R1.2 O=C1CCS(=O)C1 Amb27199097 [0,0,0,0,0,0|2,0,0]=2 210 B7R1.2 O=C1CC[C@@H](O)C1 Amb27432638 [0,0,0,0,0,0|1,0,2]=3 211 B7R1.2 O=C1CC[C@@H](O)N1 Amb27458284 [0,0,0,0,0,0|1,0,2]=3 212 B7R1.2 O=C1CC[C@H](O)C1 Amb27804552 [0,0,0,0,0,0|1,0,2]=3 213 B7R1.2 O=C1CC[C@H](O)N1 Amb27881572 [0,0,0,0,0,0|1,0,2]=3 214 B7R1.2 O=C1CN(Cl)CN1 Amb27795741 [0,0,0,0,0,0|4,0,0]=4 215 B7R1.2 O=C1CN=C(S)N1 Amb22058713 [0,0,0,0,0,0|2,1,0]=3 216 B7R1.2 O=C1CNC(=O)C1 Amb18202984 [0,0,0,0,0,0|2,0,0]=2 217 B7R1.2 O=C1CNC(=O)N1 Amb3598086 [0,0,0,0,0,0|2,0,0]=2 218 B7R1.2 O=C1CNC(=O)O1 Amb2695392 [0,0,0,0,0,0|1,0,0]=1 219 B7R1.2 O=C1CNC(=O)S1 Amb22372196 [0,0,0,0,0,0|1,1,0]=2 220 B7R1.2 O=C1CNC(=S)N1 Amb1151361 [0,0,0,0,0,0|2,1,0]=3 221 B7R1.2 O=C1CNC(=S)O1 Amb27393154 [0,0,0,0,0,0|1,1,0]=2 222 B7R1.2 O=C1CNC(=S)S1 Amb621648 [0,0,0,0,0,0|1,2,0]=3 223 B7R1.2 O=C1CNC(S)S1 Amb24460897 [0,0,0,0,0,0|1,2,1]=4 224 B7R1.2 O=C1COC(=O)C1 Amb2721303 [0,0,0,0,0,0|2,0,0]=2 225 B7R1.2 O=C1COC(=O)N1 Amb1625991 [0,0,0,0,0,0|2,0,0]=2 226 B7R1.2 O=C1COC(=O)O1 Amb27837383 [0,0,0,0,0,0|1,0,0]=1 227 B7R1.2 O=C1COC(=O)[N-]1 Amb32656005 [0,0,0,0,0,0|2,0,0]=2 228 B7R1.2 O=C1COC(Br)=N1 Amb29849631 [0,0,0,0,0,0|3,0,0]=3 229 B7R1.2 O=C1COC(I)=N1 Amb29849639 [0,0,0,0,0,0|3,0,0]=3 230 B7R1.2 O=C1CSC(=O)C1 Amb22731927 [0,0,0,0,0,0|2,0,0]=2 231 B7R1.2 O=C1CSC(=O)N1 Amb1853667 [0,0,0,0,0,0|2,0,0]=2 232 B7R1.2 O=C1CSC(=O)[N-]1 Amb435911 [0,0,0,0,0,0|2,0,0]=2 233 B7R1.2 O=C1CSC(=S)N1 Amb1008361 [0,0,0,0,0,0|2,1,0]=3 234 B7R1.2 O=C1CSC(Br)=N1 Amb29850234 [0,0,0,0,0,0|3,0,0]=3 235 B7R1.2 O=C1CSC(Cl)=N1 Amb29850164 [0,0,0,0,0,0|3,0,0]=3 236 B7R1.2 O=C1CSC(S)=N1 Amb837069 [0,0,0,0,0,0|2,1,0]=3 237 B7R1.2 O=C1C[C@@H](O)CN1 Amb15691722 [0,0,0,0,0,0|2,0,2]=4 238 B7R1.2 O=C1C[C@@H](O)CO1 Amb2695144 [0,0,0,0,0,0|2,0,2]=4 239 B7R1.2 O=C1C[C@@H](S)CN1 Amb22225368 [0,0,0,0,0,0|2,1,1]=4 240 B7R1.2 O=C1C[C@H](O)CN1 Amb8386060 [0,0,0,0,0,0|2,0,2]=4 241 B7R1.2 O=C1C[C@H](O)CO1 Amb8627913 [0,0,0,0,0,0|2,0,2]=4 242 B7R1.2 O=C1C[C@H](S)CN1 Amb22226251 [0,0,0,0,0,0|2,1,1]=4 243 B7R1.2 O=C1NC(=S)CO1 Amb28384997 [0,0,0,0,0,0|2,1,0]=3 244 B7R1.2 O=C1NC(=S)CS1 Amb2469502 [0,0,0,0,0,0|2,1,0]=3 245 B7R1.2 O=C1NC(S)=CO1 Amb27441431 [0,0,0,0,0,0|2,1,1]=4 246 B7R1.2 O=C1NC(S)=CS1 Amb27972291 [0,0,0,0,0,0|2,1,1]=4 247 B7R1.2 O=C1NC=C(Cl)S1 Amb28367152 [0,0,0,0,0,0|2,1,1]=4 248 B7R1.2 O=C1NC=C(I)S1 Amb24623936 [0,0,0,0,0,0|2,1,1]=4 249 B7R1.2 O=C1NCC(=S)N1 Amb2794498 [0,0,0,0,0,0|2,1,0]=3 250 B7R1.2 O=C1NCC(=S)S1 Amb27785367 [0,0,0,0,0,0|1,2,0]=3 251 B7R1.2 O=C1NN=C(Cl)N1 Amb19516644 [0,0,0,0,0,0|4,0,0]=4 252 B7R1.2 O=C1NN=C(Cl)S1 Amb33140923 [0,0,0,0,0,0|3,1,0]=4 253 B7R1.2 O=C1NNC(=O)N1 Amb20660475 [0,0,0,0,0,0|3,0,0]=3 254 B7R1.2 O=C1NOC(=O)N1 Amb22002584 [0,0,0,0,0,0|3,0,0]=3 255 B7R1.2 O=C1OC(O)CS1 Amb28066979 [0,0,0,0,0,0|1,0,2]=3 256 B7R1.2 O=C1OCC(Cl)O1 Amb10842117 [0,0,0,0,0,0|2,0,1]=3 257 B7R1.2 O=C1OCC(F)O1 Amb10841016 [0,0,0,0,0,0|2,0,1]=3 258 B7R1.2 O=S1CCC(Br)C1 Amb27872345 [0,0,0,0,0,0|3,0,1]=4 259 B7R1.2 O=S1CCC(O)C1 Amb26600157 [0,0,0,0,0,0|2,0,2]=4 260 B7R1.2 O=S1CCS(=O)C1 Amb27217021 [0,0,0,0,0,0|3,0,0]=3 261 B7R1.2 O=S1CC[C@@H](O)C1 Amb28191911 [0,0,0,0,0,0|2,0,2]=4 262 B7R1.2 OC1C=C(Br)CC1 Amb8391790 [0,0,0,0,0,0|2,0,2]=4 263 B7R1.2 OC1C=C(I)CC1 Amb26903566 [0,0,0,0,0,0|2,0,2]=4 264 B7R1.2 OC1CCC(O)O1 Amb4018883 [0,0,0,0,0,0|0,0,4]=4 265 B7R1.2 O[C@@H]1C=C(Br)CC1 Amb24479014 [0,0,0,0,0,0|2,0,2]=4 266 B7R1.2 O[C@H]1C=C(Br)CC1 Amb27213930 [0,0,0,0,0,0|2,0,2]=4 267 B7R1.2 Oc1ccc(Br)o1 Amb18199811 [0,0,0,0,0,0|1,0,3]=4 268 B7R1.2 Oc1ccc(Cl)o1 Amb25723971 [0,0,0,0,0,0|1,0,3]=4 269 B7R1.2 Oc1ccc(I)o1 Amb25888416 [0,0,0,0,0,0|1,0,3]=4 270 B7R1.2 S=C1CCC(=S)N1 Amb24479225 [0,0,0,0,0,0|1,2,0]=3 271 B7R1.2 S=C1CSC(=S)N1 Amb2794521 [0,0,0,0,0,0|2,2,0]=4 272 B7R1.2 Sc1ncc(Br)o1 Amb27653886 [0,0,0,0,0,0|2,1,1]=4 273 B7R1.2 [2H]c1ccc(Br)o1 Amb10597228 [0,0,0,0,0,0|2,0,2]=4 274 B7R1.2 [2H]c1ccc(N)o1 Amb10597230 [0,0,0,0,0,0|2,0,2]=4 275 B7R1.2 [NH3+]C1CNC(=O)C1 Amb24112953 [0,0,0,0,0,0|3,0,1]=4 276 B6R1.2 Bc1ccco1 Amb28286917 [1,0,0,0,0,0|1,0,2]=4 277 B6R1.2 BrC1=CCCC1 Amb10067271 [1,0,0,0,0,0|2,0,1]=4 278 B6R1.2 BrC1=CCCO1 Amb24322605 [1,0,0,0,0,0|1,0,2]=4 279 B6R1.2 BrC1=COCC1 Amb24322594 [1,0,0,0,0,0|3,0,0]=4 280 B6R1.2 BrC1CCCO1 Amb24322808 [1,0,0,0,0,0|1,0,2]=4 281 B6R1.2 Brc1ccco1 Amb2723041 [1,0,0,0,0,0|1,0,2]=4 282 B6R1.2 Brc1cnco1 Amb24058248 [1,0,0,0,0,0|2,0,1]=4 283 B6R1.2 Brc1cnco1 Amb32667046 [1,0,0,0,0,0|2,0,1]=4 284 B6R1.2 Brc1ncco1 Amb10071482 [1,0,0,0,0,0|2,0,1]=4 285 B6R1.2 Brc1ncco1 Amb19514894 [1,0,0,0,0,0|2,0,1]=4 286 B6R1.2 Brc1nnco1 Amb28322838 [1,0,0,0,0,0|3,0,0]=4 287 B6R1.2 C=C1CCCC1 Amb22337671 [1,0,0,0,0,0|2,0,1]=4 288 B6R1.2 C=C1CCCS1 Amb28137153 [1,0,0,0,0,0|1,1,1]=4 289 B6R1.2 C=C1CCNC1 Amb22490848 [1,0,0,0,0,0|3,0,0]=4 290 B6R1.2 C=C1CCNC1 Amb27782898 [1,0,0,0,0,0|3,0,0]=4 291 B6R1.2 C=C1CCSC1 Amb26477950 [1,0,0,0,0,0|3,0,0]=4 292 B6R1.2 C=C1N=CCS1 Amb27796505 [1,0,0,0,0,0|3,0,0]=4 293 B6R1.2 C=C1OCCO1 Amb24477046 [1,0,0,0,0,0|2,0,1]=4 294 B6R1.2 CC1=CC=CC1 Amb26338978 [1,0,0,0,0,0|2,0,1]=4 295 B6R1.2 CC1=CCCC1 Amb8513250 [1,0,0,0,0,0|2,0,1]=4 296 B6R1.2 CC1=CCCO1 Amb20621083 [1,0,0,0,0,0|1,0,2]=4 297 B6R1.2 CC1=CSCC1 Amb26495749 [1,0,0,0,0,0|3,0,0]=4 298 B6R1.2 CC1=NCCC1 Amb8513341 [1,0,0,0,0,0|2,0,1]=4 299 B6R1.2 CC1=NCCO1 Amb8395082 [1,0,0,0,0,0|2,0,1]=4 300 B6R1.2 CC1=NNCC1 Amb8492492 [1,0,0,0,0,0|3,0,0]=4 301 B6R1.2 CC1C=CCC1 Amb17674168 [1,0,0,0,0,0|2,0,1]=4 302 B6R1.2 CC1CCCO1 Amb8385612 [1,0,0,0,0,0|1,0,2]=4 303 B6R1.2 CC1CCNO1 Amb27209819 [1,0,0,0,0,0|2,0,1]=4 304 B6R1.2 Cc1ccco1 Amb2447070 [1,0,0,0,0,0|1,0,2]=4 305 B6R1.2 Cc1cnco1 Amb23403175 [1,0,0,0,0,0|2,0,1]=4 306 B6R1.2 Cc1ncco1 Amb17399783 [1,0,0,0,0,0|2,0,1]=4 307 B6R1.2 Cc1ncco1 Amb22757206 [1,0,0,0,0,0|2,0,1]=4 308 B6R1.2 Cc1nnco1 Amb20171395 [1,0,0,0,0,0|3,0,0]=4 309 B6R1.2 ClC1=CCC=C1 Amb22584067 [1,0,0,0,0,0|2,0,1]=4 310 B6R1.2 ClC1=NCCO1 Amb8396614 [1,0,0,0,0,0|2,0,1]=4 311 B6R1.2 ClC1C=CCC1 Amb17672585 [1,0,0,0,0,0|2,0,1]=4 312 B6R1.2 Clc1ccco1 Amb27805575 [1,0,0,0,0,0|1,0,2]=4 313 B6R1.2 Clc1ncco1 Amb22054705 [1,0,0,0,0,0|2,0,1]=4 314 B6R1.2 Clc1ncco1 Amb32655821 [1,0,0,0,0,0|2,0,1]=4 315 B6R1.2 FC1=COCC1 Amb24322813 [1,0,0,0,0,0|3,0,0]=4 316 B6R1.2 Fc1ccco1 Amb27470402 [1,0,0,0,0,0|1,0,2]=4 317 B6R1.2 IC1=CCCC1 Amb24332192 [1,0,0,0,0,0|2,0,1]=4 318 B6R1.2 IC1=CCCO1 Amb24322816 [1,0,0,0,0,0|1,0,2]=4 319 B6R1.2 IC1=COCC1 Amb24322814 [1,0,0,0,0,0|3,0,0]=4 320 B6R1.2 Ic1ccco1 Amb17672748 [1,0,0,0,0,0|1,0,2]=4 321 B6R1.2 Ic1cnco1 Amb33250373 [1,0,0,0,0,0|2,0,1]=4 322 B6R1.2 Ic1ncco1 Amb33547666 [1,0,0,0,0,0|2,0,1]=4 323 B6R1.2 N=C1C=CNC1 Amb28135748 [1,0,0,0,0,0|3,0,0]=4 324 B6R1.2 N=C1CCC=N1 Amb28436317 [1,0,0,0,0,0|2,0,0]=3 325 B6R1.2 N=C1CCCN1 Amb2371632 [1,0,0,0,0,0|2,0,1]=4 326 B6R1.2 N=C1CCCN1 Amb501585 [1,0,0,0,0,0|2,0,1]=4 327 B6R1.2 N=C1CCCS1 Amb10072429 [1,0,0,0,0,0|1,1,1]=4 328 B6R1.2 N=C1CCCS1 Amb9825646 [1,0,0,0,0,0|1,1,1]=4 329 B6R1.2 N=C1NCCO1 Amb20623979 [1,0,0,0,0,0|2,0,1]=4 330 B6R1.2 NC1=NCC=C1 Amb25208790 [1,0,0,0,0,0|3,0,0]=4 331 B6R1.2 NC1=NCCC1 Amb10976565 [1,0,0,0,0,0|2,0,1]=4 332 B6R1.2 NC1=NCCC1 Amb8342250 [1,0,0,0,0,0|2,0,1]=4 333 B6R1.2 NC1=NCCO1 Amb24325166 [1,0,0,0,0,0|2,0,1]=4 334 B6R1.2 NC1=NNCC1 Amb22330617 [1,0,0,0,0,0|3,0,0]=4 335 B6R1.2 NC1=NNCC1 Amb28555323 [1,0,0,0,0,0|3,0,0]=4 336 B6R1.2 NC1=NOCC1 Amb27975619 [1,0,0,0,0,0|3,0,0]=4 337 B6R1.2 NC1C=CCC1 Amb23385329 [1,0,0,0,0,0|2,0,1]=4 338 B6R1.2 NC1C=CCC1 Amb26367288 [1,0,0,0,0,0|2,0,1]=4 339 B6R1.2 NC1CCCO1 Amb16233703 [1,0,0,0,0,0|1,0,2]=4 340 B6R1.2 Nc1ccco1 Amb18203215 [1,0,0,0,0,0|1,0,2]=4 341 B6R1.2 Nc1cnco1 Amb21962026 [1,0,0,0,0,0|2,0,1]=4 342 B6R1.2 Nc1cnco1 Amb21963496 [1,0,0,0,0,0|2,0,1]=4 343 B6R1.2 Nc1ncco1 Amb6751913 [1,0,0,0,0,0|2,0,1]=4 344 B6R1.2 Nc1nnco1 Amb19516986 [1,0,0,0,0,0|3,0,0]=4 345 B6R1.2 O=C1C=CCC1 Amb4019519 [1,0,0,0,0,0|1,0,0]=2 346 B6R1.2 O=C1C=CCN1 Amb20241082 [1,0,0,0,0,0|2,0,0]=3 347 B6R1.2 O=C1C=CCO1 Amb2792769 [1,0,0,0,0,0|2,0,0]=3 348 B6R1.2 O=C1C=CCS1 Amb22336458 [1,0,0,0,0,0|2,0,0]=3 349 B6R1.2 O=C1C=CN=N1 Amb22230022 [1,0,0,0,0,0|3,0,0]=4 350 B6R1.2 O=C1C=CNN1 Amb19958916 [1,0,0,0,0,0|3,0,0]=4 351 B6R1.2 O=C1C=COC1 Amb24107591 [1,0,0,0,0,0|2,0,0]=3 352 B6R1.2 O=C1C=CSN1 Amb19895016 [1,0,0,0,0,0|3,0,0]=4 353 B6R1.2 O=C1C=CSS1 Amb27421370 [1,0,0,0,0,0|3,0,0]=4 354 B6R1.2 O=C1C=NCN1 Amb26572891 [1,0,0,0,0,0|3,0,0]=4 355 B6R1.2 O=C1C=NCO1 Amb25786221 [1,0,0,0,0,0|1,0,2]=4 356 B6R1.2 O=C1CC=CC1 Amb2686649 [1,0,0,0,0,0|1,0,1]=3 357 B6R1.2 O=C1CC=CN1 Amb22235167 [1,0,0,0,0,0|1,0,1]=3 358 B6R1.2 O=C1CC=NN1 Amb3428206 [1,0,0,0,0,0|2,0,1]=4 359 B6R1.2 O=C1CC=NO1 Amb27654112 [1,0,0,0,0,0|1,0,1]=3 360 B6R1.2 O=C1CCCC1 Amb2793024 [1,0,0,0,0,0|1,0,1]=3 361 B6R1.2 O=C1CCCN1 Amb22169686 [1,0,0,0,0,0|1,0,1]=3 362 B6R1.2 O=C1CCCN1 Amb6608645 [1,0,0,0,0,0|1,0,1]=3 363 B6R1.2 O=C1CCCO1 Amb3940401 [1,0,0,0,0,0|0,0,1]=2 364 B6R1.2 O=C1CCCS1 Amb22338102 [1,0,0,0,0,0|0,1,1]=3 365 B6R1.2 O=C1CCNC1 Amb2700623 [1,0,0,0,0,0|2,0,0]=3 366 B6R1.2 O=C1CCNC1 Amb8386645 [1,0,0,0,0,0|2,0,0]=3 367 B6R1.2 O=C1CCNN1 Amb33551041 [1,0,0,0,0,0|2,0,0]=3 368 B6R1.2 O=C1CCNN1 Amb3428540 [1,0,0,0,0,0|2,0,0]=3 369 B6R1.2 O=C1CCOC1 Amb7990143 [1,0,0,0,0,0|2,0,0]=3 370 B6R1.2 O=C1CCON1 Amb22235009 [1,0,0,0,0,0|2,0,0]=3 371 B6R1.2 O=C1CCSC1 Amb2720904 [1,0,0,0,0,0|2,0,0]=3 372 B6R1.2 O=C1CN=CS1 Amb27963219 [1,0,0,0,0,0|1,1,0]=3 373 B6R1.2 O=C1CNCN1 Amb19957368 [1,0,0,0,0,0|2,0,1]=4 374 B6R1.2 O=C1CNCS1 Amb27443758 [1,0,0,0,0,0|1,1,1]=4 375 B6R1.2 O=C1COCN1 Amb28132686 [1,0,0,0,0,0|2,0,1]=4 376 B6R1.2 O=C1CSCN1 Amb28187121 [1,0,0,0,0,0|2,0,1]=4 377 B6R1.2 O=C1CSSC1 Amb28351444 [1,0,0,0,0,0|3,0,0]=4 378 B6R1.2 O=C1N=CC=N1 Amb25138138 [1,0,0,0,0,0|2,0,1]=4 379 B6R1.2 O=C1N=CN=N1 Amb3614275 [1,0,0,0,0,0|3,0,0]=4 380 B6R1.2 O=C1NC=CN1 Amb19516737 [1,0,0,0,0,0|2,0,1]=4 381 B6R1.2 O=C1NC=CO1 Amb20671008 [1,0,0,0,0,0|1,0,1]=3 382 B6R1.2 O=C1NC=CS1 Amb19271596 [1,0,0,0,0,0|1,1,1]=4 383 B6R1.2 O=C1NC=NN1 Amb20243425 [1,0,0,0,0,0|3,0,0]=4 384 B6R1.2 O=C1NCCN1 Amb6357221 [1,0,0,0,0,0|2,0,1]=4 385 B6R1.2 O=C1NCCN1 Amb6608941 [1,0,0,0,0,0|2,0,1]=4 386 B6R1.2 O=C1NCCO1 Amb6608807 [1,0,0,0,0,0|1,0,1]=3 387 B6R1.2 O=C1NCCS1 Amb431322 [1,0,0,0,0,0|1,1,1]=4 388 B6R1.2 O=C1NN=CO1 Amb20667671 [1,0,0,0,0,0|2,0,0]=3 389 B6R1.2 O=C1NN=CS1 Amb22491285 [1,0,0,0,0,0|2,1,0]=4 390 B6R1.2 O=C1OC=CO1 Amb20239430 [1,0,0,0,0,0|1,0,1]=3 391 B6R1.2 O=C1OCCO1 Amb4057710 [1,0,0,0,0,0|1,0,1]=3 392 B6R1.2 O=C1OCCS1 Amb27398683 [1,0,0,0,0,0|1,0,1]=3 393 B6R1.2 O=S1CCCC1 Amb2690579 [1,0,0,0,0,0|2,0,1]=4 394 B6R1.2 O=S1CCNC1 Amb28075495 [1,0,0,0,0,0|3,0,0]=4 395 B6R1.2 O=S1OCCO1 Amb8383890 [1,0,0,0,0,0|2,0,1]=4 396 B6R1.2 O=[PH]1CC=CC1 Amb35747085 [1,0,0,0,0,0|2,0,1]=4 397 B6R1.2 O=[PH]1CCCC1 Amb33804724 [1,0,0,0,0,0|2,0,1]=4 398 B6R1.2 O=[PH]1OCCO1 Amb22346149 [1,0,0,0,0,0|2,0,1]=4 399 B6R1.2 OC1=NC=NC1 Amb26446352 [1,0,0,0,0,0|2,0,1]=4 400 B6R1.2 OC1=NNCC1 Amb2111955 [1,0,0,0,0,0|2,0,1]=4 401 B6R1.2 OC1=NNCC1 Amb844737 [1,0,0,0,0,0|2,0,1]=4 402 B6R1.2 OC1C=CCC1 Amb33546881 [1,0,0,0,0,0|1,0,2]=4 403 B6R1.2 OC1CCCO1 Amb17615892 [1,0,0,0,0,0|0,0,3]=4 404 B6R1.2 O[C@H]1C=CCC1 Amb28133982 [1,0,0,0,0,0|1,0,2]=4 405 B6R1.2 Oc1ccco1 Amb25991417 [1,0,0,0,0,0|0,0,3]=4 406 B6R1.2 Oc1cnco1 Amb25301524 [1,0,0,0,0,0|1,0,2]=4 407 B6R1.2 Oc1nnco1 Amb22586631 [1,0,0,0,0,0|2,0,1]=4 408 B6R1.2 S=C1C=CCO1 Amb27971151 [1,0,0,0,0,0|2,1,0]=4 409 B6R1.2 S=C1CC=CN1 Amb27239207 [1,0,0,0,0,0|1,1,1]=4 410 B6R1.2 S=C1CCCC1 Amb28049287 [1,0,0,0,0,0|1,1,1]=4 411 B6R1.2 S=C1CCCN1 Amb2778514 [1,0,0,0,0,0|1,1,1]=4 412 B6R1.2 S=C1CCCO1 Amb27808589 [1,0,0,0,0,0|0,1,1]=3 413 B6R1.2 S=C1CN=CS1 Amb24093708 [1,0,0,0,0,0|1,2,0]=4 414 B6R1.2 S=C1COC=N1 Amb27636708 [1,0,0,0,0,0|2,1,0]=4 415 B6R1.2 S=C1NC=CO1 Amb21936248 [1,0,0,0,0,0|1,1,1]=4 416 B6R1.2 S=C1NCCO1 Amb2371644 [1,0,0,0,0,0|1,1,1]=4 417 B6R1.2 SC1C=CCC1 Amb32788808 [1,0,0,0,0,0|1,1,1]=4 418 B6R1.2 Sc1ccco1 Amb26641519 [1,0,0,0,0,0|0,1,2]=4 419 B6R1.2 Sc1nnco1 Amb8471779 [1,0,0,0,0,0|2,1,0]=4 420 B8R1.1 C=C1CCN(C=O)C1 Amb35637496 [0,1,0,0,0,0|3,0,0]=4 421 B8R1.1 C=CC1=CC(=O)CC1 Amb28455401 [0,1,0,0,0,0|2,0,0]=3 422 B8R1.1 C=CC1=CCC(=O)N1 Amb27408608 [0,1,0,0,0,0|2,0,1]=4 423 B8R1.1 C=CC1CCC(=O)C1 Amb26592031 [0,1,0,0,0,0|2,0,1]=4 424 B8R1.1 C=CC1CCC(=O)N1 Amb20622087 [0,1,0,0,0,0|2,0,1]=4 425 B8R1.1 C=CC1CCC(=O)O1 Amb33249669 [0,1,0,0,0,0|1,0,1]=3 426 B8R1.1 C=CC1CNC(=O)O1 Amb25064259 [0,1,0,0,0,0|2,0,1]=4 427 B8R1.1 C=CC1COC(=O)O1 Amb17942789 [0,1,0,0,0,0|2,0,1]=4 428 B8R1.1 C=C[C@@H]1CCC(=O)N1 Amb27838334 [0,1,0,0,0,0|2,0,1]=4 429 B8R1.1 C=C[C@@H]1COC(=O)O1 Amb25946828 [0,1,0,0,0,0|2,0,1]=4 430 B8R1.1 C=C[C@H]1CCC(=O)N1 Amb27459295 [0,1,0,0,0,0|2,0,1]=4 431 B8R1.1 C=C[C@H]1COC(=O)O1 Amb26588639 [0,1,0,0,0,0|2,0,1]=4 432 B8R1.1 CC1=C\C(=N\O)CC1 Amb28324785 [0,1,0,0,0,0|2,0,1]=4 433 B8R1.1 CCC1=CC(=O)CC1 Amb25889297 [0,1,0,0,0,0|2,0,0]=3 434 B8R1.1 CCC1=CCC(=O)O1 Amb27974572 [0,1,0,0,0,0|1,0,1]=3 435 B8R1.1 CCC1=CCC(=O)S1 Amb27631498 [0,1,0,0,0,0|1,1,1]=4 436 B8R1.1 CCC1CCC(=O)N1 Amb19516715 [0,1,0,0,0,0|2,0,1]=4 437 B8R1.1 CCC1CCC(=O)O1 Amb3941505 [0,1,0,0,0,0|1,0,1]=3 438 B8R1.1 CCC1CNC(=O)O1 Amb27237218 [0,1,0,0,0,0|2,0,1]=4 439 B8R1.1 CCC1COC(=O)O1 Amb2721339 [0,1,0,0,0,0|2,0,1]=4 440 B8R1.1 CC[C@@H]1CCC(=O)O1 Amb26626757 [0,1,0,0,0,0|1,0,1]=3 441 B8R1.1 CC[C@H]1CCC(=O)O1 Amb25795415 [0,1,0,0,0,0|1,0,1]=3 442 B8R1.1 CC[C@H]1CNC(=O)O1 Amb27954656 [0,1,0,0,0,0|2,0,1]=4 443 B8R1.1 CNC1=CC(=O)OC1 Amb27168193 [0,1,0,0,0,0|3,0,0]=4 444 B8R1.1 CNC1=NC(=O)CS1 Amb27838288 [0,1,0,0,0,0|3,0,0]=4 445 B8R1.1 CNC1=NCC(=O)N1 Amb27404568 [0,1,0,0,0,0|3,0,0]=4 446 B8R1.1 CNC1CCC(=O)C1 Amb28316112 [0,1,0,0,0,0|2,0,1]=4 447 B8R1.1 COC1=CC(=O)CC1 Amb21864758 [0,1,0,0,0,0|1,0,1]=3 448 B8R1.1 COC1=CC(=O)NC1 Amb33544946 [0,1,0,0,0,0|2,0,1]=4 449 B8R1.1 COC1=CC(=O)OC1 Amb6366827 [0,1,0,0,0,0|2,0,1]=4 450 B8R1.1 COC1=CC(=O)SC1 Amb28043936 [0,1,0,0,0,0|2,0,1]=4 451 B8R1.1 COC1CCC(=O)C1 Amb24483163 [0,1,0,0,0,0|1,0,2]=4 452 B8R1.1 COC1CCC(=O)N1 Amb17617087 [0,1,0,0,0,0|1,0,2]=4 453 B8R1.1 CSC1=CCC(=O)S1 Amb27797471 [0,1,0,0,0,0|0,2,1]=4 454 B8R1.1 CSC1=NC(=O)CN1 Amb28934859 [0,1,0,0,0,0|2,1,0]=4 455 B8R1.1 CSC1=NC(=O)CS1 Amb2089015 [0,1,0,0,0,0|2,1,0]=4 456 B8R1.1 CSC1=NC(=O)NC1 Amb27770345 [0,1,0,0,0,0|2,1,0]=4 457 B8R1.1 CSC1=NCC(=O)N1 Amb26654114 [0,1,0,0,0,0|2,1,0]=4 458 B8R1.1 CSC1CCC(=O)C1 Amb28184431 [0,1,0,0,0,0|1,1,1]=4 459 B8R1.1 CSC1COC(=O)O1 Amb27395888 [0,1,0,0,0,0|1,1,1]=4 460 B8R1.1 C[C@@H]1C=C(C=O)CC1 Amb25760068 [0,1,0,0,0,0|2,0,1]=4 461 B8R1.1 C[C@H]1C=C(C=O)CC1 Amb25839230 [0,1,0,0,0,0|2,0,1]=4 462 B8R1.1 C\C=C1\CCC(=O)O1 Amb27421031 [0,1,0,0,0,0|1,0,0]=2 463 B8R1.1 C\N=C1/CCC(=O)N1 Amb26457426 [0,1,0,0,0,0|2,0,0]=3 464 B8R1.1 Cc1ccc(C=O)o1 Amb1151338 [0,1,0,0,0,0|1,0,2]=4 465 B8R1.1 Cc1cnc(C=O)o1 Amb8010965 [0,1,0,0,0,0|2,0,1]=4 466 B8R1.1 Cc1ncc(C=O)o1 Amb8010968 [0,1,0,0,0,0|2,0,1]=4 467 B8R1.1 Cc1nnc(C=O)o1 Amb22011678 [0,1,0,0,0,0|3,0,0]=4 468 B8R1.1 N#CC1=CC(=O)CC1 Amb18122621 [0,1,0,0,0,0|2,0,0]=3 469 B8R1.1 N#CC1CCC(=O)C1 Amb22886979 [0,1,0,0,0,0|2,0,1]=4 470 B8R1.1 N#CC1CCC(=O)N1 Amb26361514 [0,1,0,0,0,0|2,0,1]=4 471 B8R1.1 N#CC1CNC(=O)O1 Amb26984953 [0,1,0,0,0,0|2,0,1]=4 472 B8R1.1 N#CC1COC(=O)O1 Amb35788458 [0,1,0,0,0,0|2,0,1]=4 473 B8R1.1 N#C[C@H]1CCC(=O)C1 Amb26562820 [0,1,0,0,0,0|2,0,1]=4 474 B8R1.1 N#C[C@H]1CCC(=O)N1 Amb27404492 [0,1,0,0,0,0|2,0,1]=4 475 B8R1.1 NCC1=CNC(=O)O1 Amb27790043 [0,1,0,0,0,0|2,0,1]=4 476 B8R1.1 NCC1=NC(=O)CS1 Amb35679385 [0,1,0,0,0,0|3,0,0]=4 477 B8R1.1 NCC1=NNC(=O)O1 Amb26630995 [0,1,0,0,0,0|3,0,0]=4 478 B8R1.1 NCC1CCC(=O)C1 Amb24644946 [0,1,0,0,0,0|2,0,1]=4 479 B8R1.1 NCC1CCC(=O)N1 Amb19330383 [0,1,0,0,0,0|2,0,1]=4 480 B8R1.1 NCC1CCC(=O)N1 Amb2154785 [0,1,0,0,0,0|2,0,1]=4 481 B8R1.1 NCC1CCC(=O)N1 Amb2699145 [0,1,0,0,0,0|2,0,1]=4 482 B8R1.1 NCC1CCC(=O)O1 Amb24482045 [0,1,0,0,0,0|1,0,1]=3 483 B8R1.1 NCC1CCC(=O)O1 Amb28934914 [0,1,0,0,0,0|1,0,1]=3 484 B8R1.1 NCC1CNC(=O)O1 Amb17506099 [0,1,0,0,0,0|2,0,1]=4 485 B8R1.1 NCC1CNC(=O)O1 Amb33527727 [0,1,0,0,0,0|2,0,1]=4 486 B8R1.1 NC[C@@H]1CCC(=O)N1 Amb22746678 [0,1,0,0,0,0|2,0,1]=4 487 B8R1.1 NC[C@@H]1CCC(=O)N1 Amb2699146 [0,1,0,0,0,0|2,0,1]=4 488 B8R1.1 NC[C@@H]1CNC(=O)O1 Amb24183560 [0,1,0,0,0,0|2,0,1]=4 489 B8R1.1 NC[C@@H]1CNC(=O)O1 Amb25127772 [0,1,0,0,0,0|2,0,1]=4 490 B8R1.1 NC[C@H]1CCC(=O)N1 Amb2699147 [0,1,0,0,0,0|2,0,1]=4 491 B8R1.1 NC[C@H]1CCC(=O)N1 Amb32721612 [0,1,0,0,0,0|2,0,1]=4 492 B8R1.1 NC[C@H]1CNC(=O)O1 Amb27403470 [0,1,0,0,0,0|2,0,1]=4 493 B8R1.1 NC[C@H]1CNC(=O)O1 Amb30869777 [0,1,0,0,0,0|2,0,1]=4 494 B8R1.1 NNC1=NC(=O)SC1 Amb25805177 [0,1,0,0,0,0|3,0,0]=4 495 B8R1.1 NNC1=NCC(=O)N1 Amb32668987 [0,1,0,0,0,0|3,0,0]=4 496 B8R1.1 N\N=C1\NC(=O)CS1 Amb4303818 [0,1,0,0,0,0|3,0,0]=4 497 B8R1.1 Nc1ccc(C=O)o1 Amb18833112 [0,1,0,0,0,0|1,0,2]=4 498 B8R1.1 Nc1ncc(C=O)o1 Amb23400983 [0,1,0,0,0,0|2,0,1]=4 499 B8R1.1 Nc1nnc(C=O)o1 Amb18833085 [0,1,0,0,0,0|3,0,0]=4 500 B8R1.1 O=C1C=C(CBr)CO1 Amb17935686 [0,1,0,0,0,0|3,0,0]=4 501 B8R1.1 O=C1C=C(CCl)CO1 Amb24481317 [0,1,0,0,0,0|3,0,0]=4 502 B8R1.1 O=C1C=C(CI)CO1 Amb27613248 [0,1,0,0,0,0|3,0,0]=4 503 B8R1.1 O=C1C=C(CO)CO1 Amb23557062 [0,1,0,0,0,0|2,0,1]=4 504 B8R1.1 O=C1C=C(CO)OC1 Amb26899531 [0,1,0,0,0,0|2,0,1]=4 505 B8R1.1 O=C1C=C(CS)CO1 Amb28316054 [0,1,0,0,0,0|2,1,0]=4 506 B8R1.1 O=C1C=C\C(=C/Br)O1 Amb26420865 [0,1,0,0,0,0|1,0,2]=4 507 B8R1.1 O=C1C=P\C(=C/P)O1 Amb28247307 [0,1,0,0,0,0|2,0,1]=4 508 B8R1.1 O=C1CC=C(CO)O1 Amb26977633 [0,1,0,0,0,0|0,0,2]=3 509 B8R1.1 O=C1CCC(CBr)N1 Amb22492782 [0,1,0,0,0,0|2,0,1]=4 510 B8R1.1 O=C1CCC(CBr)N1 Amb32752580 [0,1,0,0,0,0|2,0,1]=4 511 B8R1.1 O=C1CCC(CBr)O1 Amb22587611 [0,1,0,0,0,0|1,0,1]=3 512 B8R1.1 O=C1CCC(CCl)N1 Amb25125270 [0,1,0,0,0,0|2,0,1]=4 513 B8R1.1 O=C1CCC(CCl)O1 Amb10608418 [0,1,0,0,0,0|1,0,1]=3 514 B8R1.1 O=C1CCC(CF)N1 Amb27838313 [0,1,0,0,0,0|2,0,1]=4 515 B8R1.1 O=C1CCC(CI)C1 Amb27481152 [0,1,0,0,0,0|2,0,1]=4 516 B8R1.1 O=C1CCC(CI)N1 Amb25955610 [0,1,0,0,0,0|2,0,1]=4 517 B8R1.1 O=C1CCC(CI)O1 Amb25718848 [0,1,0,0,0,0|1,0,1]=3 518 B8R1.1 O=C1CCC(CO)C1 Amb22168734 [0,1,0,0,0,0|1,0,2]=4 519 B8R1.1 O=C1CCC(CO)N1 Amb33544815 [0,1,0,0,0,0|1,0,2]=4 520 B8R1.1 O=C1CCC(CO)O1 Amb20240701 [0,1,0,0,0,0|0,0,2]=3 521 B8R1.1 O=C1CCC(CO)S1 Amb28202904 [0,1,0,0,0,0|0,1,2]=4 522 B8R1.1 O=C1CCC(CS)C1 Amb27828867 [0,1,0,0,0,0|1,1,1]=4 523 B8R1.1 O=C1CCC(CS)N1 Amb32788463 [0,1,0,0,0,0|1,1,1]=4 524 B8R1.1 O=C1CC[C@@H](CBr)N1 Amb2694702 [0,1,0,0,0,0|2,0,1]=4 525 B8R1.1 O=C1CC[C@@H](CBr)N1 Amb32664923 [0,1,0,0,0,0|2,0,1]=4 526 B8R1.1 O=C1CC[C@@H](CBr)O1 Amb24483198 [0,1,0,0,0,0|1,0,1]=3 527 B8R1.1 O=C1CC[C@@H](CI)O1 Amb27175447 [0,1,0,0,0,0|1,0,1]=3 528 B8R1.1 O=C1CC[C@@H](CO)N1 Amb2371840 [0,1,0,0,0,0|1,0,2]=4 529 B8R1.1 O=C1CC[C@@H](CO)O1 Amb8515911 [0,1,0,0,0,0|0,0,2]=3 530 B8R1.1 O=C1CC[C@H](CBr)C1 Amb26032409 [0,1,0,0,0,0|2,0,1]=4 531 B8R1.1 O=C1CC[C@H](CBr)N1 Amb2695539 [0,1,0,0,0,0|2,0,1]=4 532 B8R1.1 O=C1CC[C@H](CCl)N1 Amb26508557 [0,1,0,0,0,0|2,0,1]=4 533 B8R1.1 O=C1CC[C@H](CO)N1 Amb2694795 [0,1,0,0,0,0|1,0,2]=4 534 B8R1.1 O=C1CC[C@H](CO)O1 Amb4037005 [0,1,0,0,0,0|0,0,2]=3 535 B8R1.1 O=C1COC(CBr)=N1 Amb28342209 [0,1,0,0,0,0|3,0,0]=4 536 B8R1.1 O=C1CSC(CCl)=N1 Amb35679381 [0,1,0,0,0,0|3,0,0]=4 537 B8R1.1 O=C1CS\C(=N\O)N1 Amb22411255 [0,1,0,0,0,0|2,0,1]=4 538 B8R1.1 O=C1N=C(NO)CS1 Amb26056565 [0,1,0,0,0,0|2,0,1]=4 539 B8R1.1 O=C1NCC(CBr)O1 Amb24530204 [0,1,0,0,0,0|2,0,1]=4 540 B8R1.1 O=C1NCC(CCl)O1 Amb1152954 [0,1,0,0,0,0|2,0,1]=4 541 B8R1.1 O=C1NCC(CF)O1 Amb33379234 [0,1,0,0,0,0|2,0,1]=4 542 B8R1.1 O=C1NCC(CI)O1 Amb28282085 [0,1,0,0,0,0|2,0,1]=4 543 B8R1.1 O=C1NCC(CO)O1 Amb9421413 [0,1,0,0,0,0|1,0,2]=4 544 B8R1.1 O=C1NCC(CS)O1 Amb25725846 [0,1,0,0,0,0|1,1,1]=4 545 B8R1.1 O=C1NC[C@@H](CBr)O1 Amb27401944 [0,1,0,0,0,0|2,0,1]=4 546 B8R1.1 O=C1NC[C@@H](CCl)O1 Amb22232513 [0,1,0,0,0,0|2,0,1]=4 547 B8R1.1 O=C1NC[C@@H](CO)O1 Amb24183552 [0,1,0,0,0,0|1,0,2]=4 548 B8R1.1 O=C1NC[C@H](CCl)O1 Amb25077275 [0,1,0,0,0,0|2,0,1]=4 549 B8R1.1 O=C1NC[C@H](CO)O1 Amb22737250 [0,1,0,0,0,0|1,0,2]=4 550 B8R1.1 O=C1NN=C(CO)O1 Amb24579278 [0,1,0,0,0,0|2,0,1]=4 551 B8R1.1 O=C1OC=C(CBr)O1 Amb22491256 [0,1,0,0,0,0|2,0,1]=4 552 B8R1.1 O=C1OCC(CCl)O1 Amb3940630 [0,1,0,0,0,0|2,0,1]=4 553 B8R1.1 O=C1OCC(CF)O1 Amb28348445 [0,1,0,0,0,0|2,0,1]=4 554 B8R1.1 O=C1OCC(CO)O1 Amb3939438 [0,1,0,0,0,0|1,0,2]=4 555 B8R1.1 O=C1OCC(CS)O1 Amb32650873 [0,1,0,0,0,0|1,1,1]=4 556 B8R1.1 O=CC1=CC(=O)NC1 Amb27962554 [0,1,0,0,0,0|2,0,0]=3 557 B8R1.1 O=CC1=CC(=O)NN1 Amb28436451 [0,1,0,0,0,0|3,0,0]=4 558 B8R1.1 O=CC1=CC(=O)NO1 Amb22498283 [0,1,0,0,0,0|3,0,0]=4 559 B8R1.1 O=CC1=CSC(=O)S1 Amb25984894 [0,1,0,0,0,0|1,1,1]=4 560 B8R1.1 O=CC1=NC(=O)CS1 Amb35679379 [0,1,0,0,0,0|2,0,0]=3 561 B8R1.1 O=CC1=NNC(=O)C1 Amb18203380 [0,1,0,0,0,0|3,0,0]=4 562 B8R1.1 O=CC1=NOC(=O)C1 Amb27209562 [0,1,0,0,0,0|3,0,0]=4 563 B8R1.1 O=CC1CCC(=O)C1 Amb18124240 [0,1,0,0,0,0|1,0,1]=3 564 B8R1.1 O=CC1CCC(=O)N1 Amb24113125 [0,1,0,0,0,0|1,0,1]=3 565 B8R1.1 O=CC1CNC(=O)C1 Amb24435979 [0,1,0,0,0,0|2,0,1]=4 566 B8R1.1 O=CC1COC(=O)C1 Amb26428572 [0,1,0,0,0,0|2,0,1]=4 567 B8R1.1 O=CC1COC(=O)O1 Amb27446683 [0,1,0,0,0,0|1,0,1]=3 568 B8R1.1 O=C[C@@H]1CCC(=O)N1 Amb27390986 [0,1,0,0,0,0|1,0,1]=3 569 B8R1.1 O=C[C@H]1CCC(=O)O1 Amb27964499 [0,1,0,0,0,0|0,0,1]=2 570 B8R1.1 O=C[C@H]1CCC(=O)S1 Amb27792268 [0,1,0,0,0,0|0,1,1]=3 571 B8R1.1 O=Cc1ccc(Br)o1 Amb1153092 [0,1,0,0,0,0|1,0,2]=4 572 B8R1.1 O=Cc1ccc(Cl)o1 Amb1157854 [0,1,0,0,0,0|1,0,2]=4 573 B8R1.1 O=Cc1ccc(F)o1 Amb18203364 [0,1,0,0,0,0|1,0,2]=4 574 B8R1.1 O=Cc1ccc(I)o1 Amb1669363 [0,1,0,0,0,0|1,0,2]=4 575 B8R1.1 O=Cc1ccc(O)o1 Amb26370088 [0,1,0,0,0,0|0,0,3]=4 576 B8R1.1 O=Cc1cnc(Br)o1 Amb10067561 [0,1,0,0,0,0|2,0,1]=4 577 B8R1.1 O=NN1CCC(=O)N1 Amb2417179 [0,1,0,0,0,0|2,0,0]=3 578 B8R1.1 O=S=C1NC(=O)CS1 Amb27669987 [0,1,0,0,0,0|2,0,0]=3 579 B8R1.1 [NH3+]C[C@@H]1CCC(=O)O1 Amb28464028 [0,1,0,0,0,0|1,0,1]=3 580 B8R1.18 C=C1CC(=O)CC1=C Amb27206694 [0,1,0,0,0,0|2,0,1]=4 581 B8R1.18 C=C1CC(=O)NC1=O Amb26369663 [0,1,0,0,0,0|1,0,1]=3 582 B8R1.18 C=C1CC(=O)OC1=O Amb3940408 [0,1,0,0,0,0|0,0,1]=2 583 B8R1.18 C=C1CC(C)=CC1=O Amb28285155 [0,1,0,0,0,0|2,0,1]=4 584 B8R1.18 C=C1CC(C)OC1=O Amb8389608 [0,1,0,0,0,0|1,0,2]=4 585 B8R1.18 C=C1NC(=O)NC1=O Amb22229999 [0,1,0,0,0,0|2,0,1]=4 586 B8R1.18 CC1=C(C)NC(=O)C1 Amb27830150 [0,1,0,0,0,0|2,0,1]=4 587 B8R1.18 CC1=C(C)OC(=O)N1 Amb19516947 [0,1,0,0,0,0|2,0,1]=4 588 B8R1.18 CC1=C(C)OC(=O)O1 Amb19654027 [0,1,0,0,0,0|2,0,1]=4 589 B8R1.18 CC1=CC(=O)C(Br)C1 Amb28284387 [0,1,0,0,0,0|2,0,0]=3 590 B8R1.18 CC1=CC(=O)C(C)C1 Amb24647798 [0,1,0,0,0,0|2,0,0]=3 591 B8R1.18 CC1=CC(=O)C(C)O1 Amb2725441 [0,1,0,0,0,0|3,0,0]=4 592 B8R1.18 CC1=CC(=O)C(Cl)C1 Amb27750318 [0,1,0,0,0,0|2,0,0]=3 593 B8R1.18 CC1=CC(=O)CC1C Amb16191977 [0,1,0,0,0,0|2,0,0]=3 594 B8R1.18 CC1=CC(=O)C[C@@H]1C Amb28316193 [0,1,0,0,0,0|2,0,0]=3 595 B8R1.18 CC1=CC(=O)C[C@H]1C Amb28316192 [0,1,0,0,0,0|2,0,0]=3 596 B8R1.18 CC1=CC(=O)NC1=O Amb8997582 [0,1,0,0,0,0|1,0,2]=4 597 B8R1.18 CC1=CC(=O)NC1O Amb27838349 [0,1,0,0,0,0|3,0,0]=4 598 B8R1.18 CC1=CC(=O)OC1=O Amb6608948 [0,1,0,0,0,0|0,0,2]=3 599 B8R1.18 CC1=CC(=O)OC1Br Amb25144076 [0,1,0,0,0,0|3,0,0]=4 600 B8R1.18 CC1=CC(=O)OC1O Amb8389484 [0,1,0,0,0,0|3,0,0]=4 601 B8R1.18 CC1=CC(C)C(=O)C1 Amb28049000 [0,1,0,0,0,0|2,0,1]=4 602 B8R1.18 CC1=CC(Cl)C(=O)O1 Amb24349720 [0,1,0,0,0,0|1,0,1]=3 603 B8R1.18 CC1CC(=O)C(C)C1 Amb26510571 [0,1,0,0,0,0|2,0,1]=4 604 B8R1.18 CC1CC(=O)CC1C Amb25933629 [0,1,0,0,0,0|2,0,1]=4 605 B8R1.18 CC1CC(=O)CN1C Amb20669273 [0,1,0,0,0,0|3,0,0]=4 606 B8R1.18 CC1CC(=O)NC1=O Amb10609734 [0,1,0,0,0,0|1,0,0]=2 607 B8R1.18 CC1CC(=O)NC1C Amb20623595 [0,1,0,0,0,0|2,0,1]=4 608 B8R1.18 CC1CC(=O)NC1O Amb27975748 [0,1,0,0,0,0|1,0,2]=4 609 B8R1.18 CC1CC(=O)OC1=O Amb3940407 [0,1,0,0,0,0|0,0,0]=1 610 B8R1.18 CC1CC(=O)OC1C Amb27873473 [0,1,0,0,0,0|1,0,1]=3 611 B8R1.18 CC1CC(=O)OC1O Amb26536810 [0,1,0,0,0,0|0,0,2]=3 612 B8R1.18 CC1CC(Br)C(=O)O1 Amb6608903 [0,1,0,0,0,0|1,0,1]=3 613 B8R1.18 CC1CC(C)C(=O)N1 Amb24698782 [0,1,0,0,0,0|2,0,1]=4 614 B8R1.18 CC1CC(C)C(=O)O1 Amb4017434 [0,1,0,0,0,0|1,0,1]=3 615 B8R1.18 CC1CC(N)C(=O)O1 Amb32653104 [0,1,0,0,0,0|1,0,1]=3 616 B8R1.18 CC1CC(N)C(=O)O1 Amb448594 [0,1,0,0,0,0|1,0,1]=3 617 B8R1.18 CC1CC(O)C(=O)N1 Amb27784846 [0,1,0,0,0,0|2,0,1]=4 618 B8R1.18 CC1CC(O)C(=O)O1 Amb27451083 [0,1,0,0,0,0|1,0,1]=3 619 B8R1.18 CC1CN(C)CC1=O Amb20622328 [0,1,0,0,0,0|3,0,0]=4 620 B8R1.18 CC1C[C@@H](C)CC1=O Amb27424916 [0,1,0,0,0,0|2,0,1]=4 621 B8R1.18 CC1C[C@H](N)C(=O)O1 Amb27844768 [0,1,0,0,0,0|1,0,1]=3 622 B8R1.18 CC1NC(=O)C=C1O Amb27844475 [0,1,0,0,0,0|2,0,1]=4 623 B8R1.18 CC1NC(=O)CC1=O Amb23598276 [0,1,0,0,0,0|2,0,0]=3 624 B8R1.18 CC1NC(=O)CC1O Amb27792924 [0,1,0,0,0,0|2,0,1]=4 625 B8R1.18 CC1NC(=O)N=C1N Amb25982495 [0,1,0,0,0,0|3,0,0]=4 626 B8R1.18 CC1NC(=O)NC1=O Amb1150065 [0,1,0,0,0,0|2,0,0]=3 627 B8R1.18 CC1NC(=O)OC1=O Amb22236022 [0,1,0,0,0,0|1,0,0]=2 628 B8R1.18 CC1NC(=O)OC1C Amb25747248 [0,1,0,0,0,0|2,0,1]=4 629 B8R1.18 CC1NC(=S)NC1=O Amb22263161 [0,1,0,0,0,0|2,1,0]=4 630 B8R1.18 CC1NC(=S)OC1=O Amb27410191 [0,1,0,0,0,0|1,1,0]=3 631 B8R1.18 CC1OC(=O)C=C1N Amb27838294 [0,1,0,0,0,0|3,0,0]=4 632 B8R1.18 CC1OC(=O)CC1=O Amb28290899 [0,1,0,0,0,0|2,0,0]=3 633 B8R1.18 CC1OC(=O)NC1=O Amb24357861 [0,1,0,0,0,0|2,0,0]=3 634 B8R1.18 CC1OC(=O)OC1=O Amb28315579 [0,1,0,0,0,0|1,0,0]=2 635 B8R1.18 CC1OC(=O)OC1C Amb27485944 [0,1,0,0,0,0|2,0,1]=4 636 B8R1.18 CC1SC(=N)NC1=O Amb2792627 [0,1,0,0,0,0|3,0,0]=4 637 B8R1.18 CC1SC(=O)NC1=O Amb21857287 [0,1,0,0,0,0|2,0,0]=3 638 B8R1.18 CC1SC(=S)NC1=O Amb27794294 [0,1,0,0,0,0|2,1,0]=4 639 B8R1.18 CC1SC(N)=NC1=O Amb6377861 [0,1,0,0,0,0|3,0,0]=4 640 B8R1.18 CN1CC(=O)CC1=O Amb33543710 [0,1,0,0,0,0|2,0,0]=3 641 B8R1.18 CN1CC(=O)N=C1N Amb2613078 [0,1,0,0,0,0|3,0,0]=4 642 B8R1.18 CN1CC(=O)NC1=N Amb533503 [0,1,0,0,0,0|3,0,0]=4 643 B8R1.18 CN1CC(=O)NC1=O Amb3940344 [0,1,0,0,0,0|2,0,0]=3 644 B8R1.18 CN1CC(=O)NC1=S Amb28285209 [0,1,0,0,0,0|2,1,0]=4 645 B8R1.18 CN1CC(=O)OC1=O Amb22734007 [0,1,0,0,0,0|1,0,0]=2 646 B8R1.18 CN1CC(N)=NC1=O Amb20622526 [0,1,0,0,0,0|3,0,0]=4 647 B8R1.18 CN1CC(N)C(=O)N1 Amb25872890 [0,1,0,0,0,0|3,0,0]=4 648 B8R1.18 CN1CS(=O)CC1=O Amb24579772 [0,1,0,0,0,0|3,0,0]=4 649 B8R1.18 CN1NC(=O)NC1=O Amb25324546 [0,1,0,0,0,0|3,0,0]=4 650 B8R1.18 C[C@@H]1CC(=O)C[C@H]1C Amb24470272 [0,1,0,0,0,0|2,0,1]=4 651 B8R1.18 C[C@@H]1CC(=O)OC1=O Amb25791861 [0,1,0,0,0,0|0,0,0]=1 652 B8R1.18 C[C@@H]1C[C@@H](Cl)C(=O)O1 Amb25288126 [0,1,0,0,0,0|1,0,1]=3 653 B8R1.18 C[C@@H]1NC(=O)C=C1O Amb27815038 [0,1,0,0,0,0|2,0,1]=4 654 B8R1.18 C[C@@H]1NC(=O)CC1=O Amb18833079 [0,1,0,0,0,0|2,0,0]=3 655 B8R1.18 C[C@@H]1NC(=O)NC1=O Amb17617476 [0,1,0,0,0,0|2,0,0]=3 656 B8R1.18 C[C@@H]1NC(=O)OC1=O Amb2689575 [0,1,0,0,0,0|1,0,0]=2 657 B8R1.18 C[C@@H]1NC(=O)O[C@@H]1C Amb28132650 [0,1,0,0,0,0|2,0,1]=4 658 B8R1.18 C[C@@H]1NC(=S)NC1=O Amb27154771 [0,1,0,0,0,0|2,1,0]=4 659 B8R1.18 C[C@@H]1OC(=O)C[C@H]1Cl Amb27252234 [0,1,0,0,0,0|1,0,1]=3 660 B8R1.18 C[C@H]1CC(=O)C[C@H]1C Amb22230244 [0,1,0,0,0,0|2,0,1]=4 661 B8R1.18 C[C@H]1CC(=O)NC1=O Amb28119095 [0,1,0,0,0,0|1,0,0]=2 662 B8R1.18 C[C@H]1CC(=O)OC1=O Amb2609932 [0,1,0,0,0,0|0,0,0]=1 663 B8R1.18 C[C@H]1CC(=O)O[C@H]1C Amb27471867 [0,1,0,0,0,0|1,0,1]=3 664 B8R1.18 C[C@H]1CC(=O)[C@H](C)C1 Amb28429622 [0,1,0,0,0,0|2,0,1]=4 665 B8R1.18 C[C@H]1C[C@@H](C)C(=O)O1 Amb28060142 [0,1,0,0,0,0|1,0,1]=3 666 B8R1.18 C[C@H]1C[C@@H](C)NC1=O Amb27619178 [0,1,0,0,0,0|2,0,1]=4 667 B8R1.18 C[C@H]1C[C@H](O)C(=O)O1 Amb27852763 [0,1,0,0,0,0|1,0,1]=3 668 B8R1.18 C[C@H]1NC(=O)C[C@@H]1O Amb28128239 [0,1,0,0,0,0|2,0,1]=4 669 B8R1.18 C[C@H]1NC(=O)C[C@@H]1S Amb28388503 [0,1,0,0,0,0|2,0,1]=4 670 B8R1.18 C[C@H]1NC(=O)C[C@H]1O Amb28131156 [0,1,0,0,0,0|2,0,1]=4 671 B8R1.18 C[C@H]1NC(=O)C[C@H]1S Amb27621424 [0,1,0,0,0,0|2,0,1]=4 672 B8R1.18 C[C@H]1NC(=O)NC1=O Amb17617475 [0,1,0,0,0,0|2,0,0]=3 673 B8R1.18 C[C@H]1NC(=O)OC1=O Amb2689574 [0,1,0,0,0,0|1,0,0]=2 674 B8R1.18 C[C@H]1NC(=S)NC1=O Amb27961227 [0,1,0,0,0,0|2,1,0]=4 675 B8R1.18 C[C@H]1OC(=O)C[C@@H]1N Amb27973900 [0,1,0,0,0,0|1,0,1]=3 676 B8R1.18 C[C@H]1OC(=O)C[C@H]1O Amb27775518 [0,1,0,0,0,0|1,0,1]=3 677 B8R1.18 NC1=CC(=O)NC1=O Amb27627676 [0,1,0,0,0,0|1,0,2]=4 678 B8R1.18 NC1CC(=O)CC1N Amb27486601 [0,1,0,0,0,0|2,0,1]=4 679 B8R1.18 NC1CC(=O)NC1=O Amb30585083 [0,1,0,0,0,0|1,0,0]=2 680 B8R1.18 NC1CC(=O)NC1=O Amb9502460 [0,1,0,0,0,0|1,0,0]=2 681 B8R1.18 NC1CC(=O)OC1=O Amb27216215 [0,1,0,0,0,0|0,0,0]=1 682 B8R1.18 NC1NC(=O)NC1=O Amb28118590 [0,1,0,0,0,0|2,0,0]=3 683 B8R1.18 NC1SC(=O)NC1=O Amb2794365 [0,1,0,0,0,0|2,0,0]=3 684 B8R1.18 NN1CC(=O)NC1=O Amb1106079 [0,1,0,0,0,0|2,0,0]=3 685 B8R1.18 NN1CC(=O)NC1=O Amb2720280 [0,1,0,0,0,0|2,0,0]=3 686 B8R1.18 N[C@@H]1CC(=O)OC1=O Amb25992097 [0,1,0,0,0,0|0,0,0]=1 687 B8R1.18 N[C@@H]1CC(=O)OC1=O Amb8631355 [0,1,0,0,0,0|0,0,0]=1 688 B8R1.18 N[C@H]1CC(=O)NC1=O Amb17134612 [0,1,0,0,0,0|1,0,0]=2 689 B8R1.18 N[C@H]1CC(=O)OC1=O Amb24745675 [0,1,0,0,0,0|0,0,0]=1 690 B8R1.18 N[C@H]1CC(=O)O[C@H]1O Amb28196677 [0,1,0,0,0,0|0,0,2]=3 691 B8R1.18 O=C1C=C(Br)C(=O)N1 Amb6739957 [0,1,0,0,0,0|1,0,2]=4 692 B8R1.18 O=C1C=C(Br)C(=O)O1 Amb15693391 [0,1,0,0,0,0|0,0,2]=3 693 B8R1.18 O=C1C=C(Br)C(O)N1 Amb27452526 [0,1,0,0,0,0|3,0,0]=4 694 B8R1.18 O=C1C=C(Cl)C(=O)C1 Amb28126779 [0,1,0,0,0,0|1,0,2]=4 695 B8R1.18 O=C1C=C(Cl)C(Cl)O1 Amb27954144 [0,1,0,0,0,0|3,0,0]=4 696 B8R1.18 O=C1C=C(Cl)C(O)N1 Amb27391618 [0,1,0,0,0,0|3,0,0]=4 697 B8R1.18 O=C1C=C(Cl)C(O)O1 Amb25889252 [0,1,0,0,0,0|3,0,0]=4 698 B8R1.18 O=C1C=C(F)C(=O)O1 Amb28049388 [0,1,0,0,0,0|0,0,2]=3 699 B8R1.18 O=C1C=C(O)C(=O)C1 Amb24330381 [0,1,0,0,0,0|1,0,2]=4 700 B8R1.18 O=C1C=C(O)C(=O)N1 Amb28323034 [0,1,0,0,0,0|1,0,2]=4 701 B8R1.18 O=C1CC(=O)C(=O)C1 Amb28126773 [0,1,0,0,0,0|1,0,1]=3 702 B8R1.18 O=C1CC(=O)C(O)C1 Amb24330382 [0,1,0,0,0,0|1,0,0]=2 703 B8R1.18 O=C1CC(Cl)C(=O)O1 Amb24677749 [0,1,0,0,0,0|0,0,0]=1 704 B8R1.18 O=C1CC(O)C(=O)O1 Amb27399619 [0,1,0,0,0,0|0,0,0]=1 705 B8R1.18 O=C1CN([SiH3])C(=O)N1 Amb28071257 [0,1,0,0,0,0|2,0,0]=3 706 B8R1.18 O=C1C[C@@H](F)C(=O)O1 Amb28286140 [0,1,0,0,0,0|0,0,0]=1 707 B8R1.18 O=C1C[C@@H](O)[C@H](O)C1 Amb27841798 [0,1,0,0,0,0|1,0,2]=4 708 B8R1.18 O=C1C[C@H](F)C(=O)O1 Amb27406936 [0,1,0,0,0,0|0,0,0]=1 709 B8R1.18 O=C1NC(=O)C(=O)N1 Amb4011673 [0,1,0,0,0,0|2,0,1]=4 710 B8R1.18 O=C1NC(=O)C(=S)O1 Amb27643395 [0,1,0,0,0,0|1,1,1]=4 711 B8R1.18 O=C1NC(=O)C(Br)N1 Amb8383660 [0,1,0,0,0,0|2,0,0]=3 712 B8R1.18 O=C1NC(=O)C(Br)S1 Amb2436078 [0,1,0,0,0,0|2,0,0]=3 713 B8R1.18 O=C1NC(=O)C(O)N1 Amb17615425 [0,1,0,0,0,0|2,0,0]=3 714 B8R1.18 O=C1NC(=P)C(=P)O1 Amb28364438 [0,1,0,0,0,0|2,0,1]=4 715 B8R1.18 O=C1NC(=S)OC1=O Amb27403506 [0,1,0,0,0,0|1,1,1]=4 716 B8R1.18 O=C1OC(Cl)=C(Cl)O1 Amb27212738 [0,1,0,0,0,0|2,0,1]=4 717 B8R1.18 O=C1OC(Cl)C(Cl)O1 Amb20670724 [0,1,0,0,0,0|2,0,1]=4 718 B8R1.18 O=C1OC(O)CC1O Amb27761542 [0,1,0,0,0,0|0,0,2]=3 719 B8R1.18 O=C1O[C@@H](Cl)[C@H](Cl)O1 Amb25061412 [0,1,0,0,0,0|2,0,1]=4 720 B8R1.18 [NH3+]N1CC(=O)NC1=O Amb4296932 [0,1,0,0,0,0|2,0,0]=3 721 B8R1.50 C=C1C(=O)CCC1C Amb27199153 [0,1,0,0,0,0|2,0,1]=4 722 B8R1.50 CC1=C(Br)C(=O)CC1 Amb10067495 [0,1,0,0,0,0|2,0,0]=3 723 B8R1.50 CC1=C(Br)COC1=O Amb27854509 [0,1,0,0,0,0|3,0,0]=4 724 B8R1.50 CC1=C(C)C(=O)CC1 Amb22351730 [0,1,0,0,0,0|2,0,0]=3 725 B8R1.50 CC1=C(C)C(=O)NC1 Amb2778404 [0,1,0,0,0,0|3,0,0]=4 726 B8R1.50 CC1=C(Cl)C(=O)OC1 Amb26020563 [0,1,0,0,0,0|3,0,0]=4 727 B8R1.50 CC1=C(Cl)CCC1=O Amb27972997 [0,1,0,0,0,0|2,0,0]=3 728 B8R1.50 CC1=C(N)OCC1=O Amb27839546 [0,1,0,0,0,0|3,0,0]=4 729 B8R1.50 CC1=C(O)C(=O)CC1 Amb4004294 [0,1,0,0,0,0|2,0,0]=3 730 B8R1.50 CC1=C(O)C(=O)CO1 Amb8386149 [0,1,0,0,0,0|3,0,0]=4 731 B8R1.50 CC1=C(O)C(=O)CS1 Amb27273133 [0,1,0,0,0,0|3,0,0]=4 732 B8R1.50 CC1=C(O)C(=O)OC1 Amb23571854 [0,1,0,0,0,0|3,0,0]=4 733 B8R1.50 CC1=C(O)C(=O)SC1 Amb24638526 [0,1,0,0,0,0|3,0,0]=4 734 B8R1.50 CC1=C(O)COC1=O Amb2611869 [0,1,0,0,0,0|2,0,1]=4 735 B8R1.50 CC1=CCC(=O)C1O Amb27828885 [0,1,0,0,0,0|2,0,1]=4 736 B8R1.50 CC1C(=O)CCC1=O Amb974862 [0,1,0,0,0,0|1,0,0]=2 737 B8R1.50 CC1C(=O)CCN1C Amb24453852 [0,1,0,0,0,0|3,0,0]=4 738 B8R1.50 CC1C(=O)COC1=O Amb4035239 [0,1,0,0,0,0|2,0,0]=3 739 B8R1.50 CC1C(=O)NCS1=O Amb27630693 [0,1,0,0,0,0|3,0,0]=4 740 B8R1.50 CC1CCC(=O)C1=O Amb4477353 [0,1,0,0,0,0|2,0,1]=4 741 B8R1.50 CC1CCC(=O)C1C Amb27485174 [0,1,0,0,0,0|2,0,1]=4 742 B8R1.50 CC1CCC(=O)C1N Amb25675652 [0,1,0,0,0,0|2,0,1]=4 743 B8R1.50 CC1CCC(=O)N1C Amb15693449 [0,1,0,0,0,0|2,0,1]=4 744 B8R1.50 CN1C(=N)NCC1=O Amb24700464 [0,1,0,0,0,0|3,0,0]=4 745 B8R1.50 CN1C(=N)NCC1=O Amb28934857 [0,1,0,0,0,0|3,0,0]=4 746 B8R1.50 CN1C(=O)C=CC1=O Amb1158022 [0,1,0,0,0,0|1,0,2]=4 747 B8R1.50 CN1C(=O)CCC1=O Amb6368854 [0,1,0,0,0,0|1,0,0]=2 748 B8R1.50 CN1C(=O)CCC1O Amb17615583 [0,1,0,0,0,0|1,0,2]=4 749 B8R1.50 CN1C(=O)CNC1=O Amb22002559 [0,1,0,0,0,0|2,0,0]=3 750 B8R1.50 CN1C(=O)CNC1=S Amb5435240 [0,1,0,0,0,0|2,1,0]=4 751 B8R1.50 CN1C(=O)COC1=O Amb21927685 [0,1,0,0,0,0|2,0,0]=3 752 B8R1.50 CN1C(=O)CSC1=O Amb1883006 [0,1,0,0,0,0|2,0,0]=3 753 B8R1.50 CN1C(=O)CSC1=S Amb2526313 [0,1,0,0,0,0|2,1,0]=4 754 B8R1.50 CN1C(=O)NNC1=O Amb22347867 [0,1,0,0,0,0|3,0,0]=4 755 B8R1.50 CN1CCC(=O)C1=O Amb24183817 [0,1,0,0,0,0|3,0,0]=4 756 B8R1.50 C[C@@H]1C(=O)CCN1C Amb18833064 [0,1,0,0,0,0|3,0,0]=4 757 B8R1.50 C[C@@H]1C(=O)CC[C@@H]1O Amb28253966 [0,1,0,0,0,0|1,0,2]=4 758 B8R1.50 N=C1COC(=O)C1N Amb27839054 [0,1,0,0,0,0|3,0,0]=4 759 B8R1.50 NC1=C(O)CCC1=O Amb27203866 [0,1,0,0,0,0|1,0,1]=3 760 B8R1.50 NC1=C(O)COC1=O Amb27830449 [0,1,0,0,0,0|2,0,1]=4 761 B8R1.50 NC1C(=O)CCC1=O Amb27409660 [0,1,0,0,0,0|1,0,0]=2 762 B8R1.50 NC1C(=O)NNC1=O Amb26392782 [0,1,0,0,0,0|3,0,0]=4 763 B8R1.50 NN1C(=O)CCC1=O Amb24323275 [0,1,0,0,0,0|1,0,0]=2 764 B8R1.50 NN1C(=O)CNC1=O Amb2795837 [0,1,0,0,0,0|2,0,0]=3 765 B8R1.50 NN1C(=O)CSC1=S Amb1151961 [0,1,0,0,0,0|2,1,0]=4 766 B8R1.50 NN1C(=O)NNC1=O Amb18641860 [0,1,0,0,0,0|3,0,0]=4 767 B8R1.50 O=C1C=CC(=O)C1=O Amb24633435 [0,1,0,0,0,0|1,0,2]=4 768 B8R1.50 O=C1C=CC(=O)N1Br Amb22051679 [0,1,0,0,0,0|1,0,2]=4 769 B8R1.50 O=C1C=CC(=O)N1Cl Amb22330567 [0,1,0,0,0,0|1,0,2]=4 770 B8R1.50 O=C1CCC(=O)C1Br Amb10975590 [0,1,0,0,0,0|1,0,0]=2 771 B8R1.50 O=C1CCC(=O)C1Cl Amb27471835 [0,1,0,0,0,0|1,0,0]=2 772 B8R1.50 O=C1CCC(=O)C1O Amb24443990 [0,1,0,0,0,0|1,0,0]=2 773 B8R1.50 O=C1CCC(=O)N1Br Amb2685488 [0,1,0,0,0,0|1,0,0]=2 774 B8R1.50 O=C1CCC(=O)N1Cl Amb6609006 [0,1,0,0,0,0|1,0,0]=2 775 B8R1.50 O=C1CCC(=O)N1I Amb2688884 [0,1,0,0,0,0|1,0,0]=2 776 B8R1.50 O=C1CCC(=O)N1O Amb1152089 [0,1,0,0,0,0|1,0,0]=2 777 B8R1.50 O=C1CCC(Br)=C1O Amb24677469 [0,1,0,0,0,0|2,0,0]=3 778 B8R1.50 O=C1CCC(Cl)=C1Cl Amb27409520 [0,1,0,0,0,0|2,0,0]=3 779 B8R1.50 O=C1CCC(Cl)=C1O Amb28316155 [0,1,0,0,0,0|2,0,0]=3 780 B8R1.50 O=C1CCC(F)C1Br Amb27875964 [0,1,0,0,0,0|2,0,1]=4 781 B8R1.50 O=C1CCC(O)=C1Br Amb25205766 [0,1,0,0,0,0|1,0,1]=3 782 B8R1.50 O=C1CCC(O)=C1O Amb17593179 [0,1,0,0,0,0|1,0,1]=3 783 B8R1.50 O=C1CCC(O)N1O Amb27214701 [0,1,0,0,0,0|1,0,2]=4 784 B8R1.50 O=C1CC[C@H](O)[C@@H]1O Amb28253888 [0,1,0,0,0,0|1,0,2]=4 785 B8R1.50 O=C1COC(=O)C1Br Amb17594578 [0,1,0,0,0,0|2,0,0]=3 786 B8R1.50 O=C1COC(=O)C1Cl Amb534802 [0,1,0,0,0,0|2,0,0]=3 787 B8R1.50 O=C1NCC(O)=C1O Amb27815039 [0,1,0,0,0,0|2,0,1]=4 788 B8R1.50 O=C1NNC(=O)C1F Amb27268595 [0,1,0,0,0,0|3,0,0]=4 789 B8R1.50 O=C1OCC(Br)=C1Br Amb10067289 [0,1,0,0,0,0|3,0,0]=4 790 B8R1.50 O=C1OCC(Cl)=C1Cl Amb24551013 [0,1,0,0,0,0|3,0,0]=4 791 B8R1.50 O=C1OCC(O)=C1Br Amb5751200 [0,1,0,0,0,0|2,0,1]=4 792 B8R1.50 O=C1OCC(O)=C1F Amb27812981 [0,1,0,0,0,0|2,0,1]=4 793 B8R1.50 O=C1OCC(O)=C1O Amb23505710 [0,1,0,0,0,0|2,0,1]=4 794 B8R1.51 C=C1CCS(=O)(=O)C1 Amb27483117 [0,1,0,0,0,0|3,0,0]=4 795 B8R1.51 CC1(C)CCC(=O)C1 Amb19516867 [0,1,0,0,0,0|2,0,1]=4 796 B8R1.51 CC1(C)CCC(=O)N1 Amb9173662 [0,1,0,0,0,0|2,0,1]=4 797 B8R1.51 CC1(C)CCC(=O)O1 Amb8631207 [0,1,0,0,0,0|1,0,1]=3 798 B8R1.51 CC1(C)CNC(=O)O1 Amb16202554 [0,1,0,0,0,0|2,0,1]=4 799 B8R1.51 CC1(C)COC(=O)O1 Amb24404748 [0,1,0,0,0,0|2,0,1]=4 800 B8R1.51 CC1(C)NCC(=O)O1 Amb27969182 [0,1,0,0,0,0|2,0,1]=4 801 B8R1.51 CC1(C)OCC(=O)O1 Amb10601611 [0,1,0,0,0,0|2,0,1]=4 802 B8R1.51 CC1(F)CCC(=O)O1 Amb27597762 [0,1,0,0,0,0|1,0,1]=3 803 B8R1.51 CC1(F)COC(=O)O1 Amb27420932 [0,1,0,0,0,0|2,0,1]=4 804 B8R1.51 CC1=CS(=O)(=O)CC1 Amb1351742 [0,1,0,0,0,0|3,0,0]=4 805 B8R1.51 CC1=NS(=O)(=O)CC1 Amb32683302 [0,1,0,0,0,0|3,0,0]=4 806 B8R1.51 CC1CCS(=O)(=O)O1 Amb26382065 [0,1,0,0,0,0|2,0,1]=4 807 B8R1.51 CS1(=O)=NC(=O)CC1 Amb33483218 [0,1,0,0,0,0|2,0,0]=3 808 B8R1.51 C[Si]1(C)CCC(=O)C1 Amb29837969 [0,1,0,0,0,0|2,1,0]=4 809 B8R1.51 O=C1CCC(Cl)(Cl)C1 Amb28141254 [0,1,0,0,0,0|2,0,1]=4 810 B8R1.51 O=C1CCC(F)(F)C1 Amb21963547 [0,1,0,0,0,0|2,0,1]=4 811 B8R1.51 O=C1CCS(=O)(=O)C1 Amb2373731 [0,1,0,0,0,0|2,0,0]=3 812 B8R1.51 O=C1CCS(=O)(=O)N1 Amb25763419 [0,1,0,0,0,0|2,0,0]=3 813 B8R1.51 O=C1CCS(=O)(=O)O1 Amb17399828 [0,1,0,0,0,0|1,0,0]=2 814 B8R1.51 O=S1(=O)C=C(Cl)CC1 Amb772206 [0,1,0,0,0,0|3,0,0]=4 815 B6R0.1 C=C=CC(=O)CC Amb17593059 [0,0,1,0,0,0|2,0,1]=4 816 B6R0.1 C=CCC(=O)CC Amb27173052 [0,0,1,0,0,0|2,0,0]=3 817 B6R0.1 C=CCC(=O)CN Amb32410102 [0,0,1,0,0,0|3,0,0]=4 818 B6R0.1 C=CCC(=O)NC Amb24479782 [0,0,1,0,0,0|3,0,0]=4 819 B6R0.1 C=CNC(=O)OC Amb24479688 [0,0,1,0,0,0|3,0,0]=4 820 B6R0.1 C=COC(=O)C=C Amb22231745 [0,0,1,0,0,0|1,0,2]=4 821 B6R0.1 C=COC(=O)CBr Amb22732072 [0,0,1,0,0,0|2,0,0]=3 822 B6R0.1 C=COC(=O)CC Amb4018556 [0,0,1,0,0,0|1,0,0]=2 823 B6R0.1 C=COC(=O)CI Amb17934194 [0,0,1,0,0,0|2,0,0]=3 824 B6R0.1 C=COC(C)CC Amb27231284 [0,0,1,0,0,0|2,0,1]=4 825 B6R0.1 C=CSC(=O)NC Amb27969936 [0,0,1,0,0,0|2,1,0]=4 826 B6R0.1 CC#CC(=O)CC Amb26041340 [0,0,1,0,0,0|2,0,1]=4 827 B6R0.1 CCC(=O)C=[N+]=[N-] Amb26855145 [0,0,1,0,0,0|3,0,0]=4 828 B6R0.1 CCC(=O)CC#N Amb9205370 [0,0,1,0,0,0|2,0,1]=4 829 B6R0.1 CCC(=O)CCBr Amb27401869 [0,0,1,0,0,0|2,0,1]=4 830 B6R0.1 CCC(=O)CCI Amb27232362 [0,0,1,0,0,0|2,0,1]=4 831 B6R0.1 CCC(=O)CCN Amb18202790 [0,0,1,0,0,0|2,0,1]=4 832 B6R0.1 CCC(=O)CCO Amb26872941 [0,0,1,0,0,0|1,0,2]=4 833 B6R0.1 CCC(=O)CCS Amb24733984 [0,0,1,0,0,0|1,1,1]=4 834 B6R0.1 CCC(=O)CNC Amb26408381 [0,0,1,0,0,0|3,0,0]=4 835 B6R0.1 CCC(=O)CNC Amb32410106 [0,0,1,0,0,0|3,0,0]=4 836 B6R0.1 CCC(=O)CNO Amb27434221 [0,0,1,0,0,0|2,0,1]=4 837 B6R0.1 CCC(=O)COC Amb19515551 [0,0,1,0,0,0|3,0,0]=4 838 B6R0.1 CCC(=O)CSC Amb8393183 [0,0,1,0,0,0|3,0,0]=4 839 B6R0.1 CCC(=O)N=C=O Amb17231803 [0,0,1,0,0,0|1,0,1]=3 840 B6R0.1 CCC(=O)N=C=S Amb1120954 [0,0,1,0,0,0|1,1,1]=4 841 B6R0.1 CCC(=O)N=[N+]=[N-] Amb25187023 [0,0,1,0,0,0|3,0,0]=4 842 B6R0.1 CCC(=O)NC=N Amb28341185 [0,0,1,0,0,0|2,0,0]=3 843 B6R0.1 CCC(=O)NCO Amb27235623 [0,0,1,0,0,0|1,0,2]=4 844 B6R0.1 CCC(=O)OCBr Amb26425071 [0,0,1,0,0,0|1,0,1]=3 845 B6R0.1 CCC(=O)OCCl Amb26580339 [0,0,1,0,0,0|1,0,1]=3 846 B6R0.1 CCC(=O)OCN Amb27592382 [0,0,1,0,0,0|1,0,1]=3 847 B6R0.1 CCC(=O)OCS Amb27593467 [0,0,1,0,0,0|0,1,1]=3 848 B6R0.1 CCC(=O)\C=C/Cl Amb28351606 [0,0,1,0,0,0|2,0,0]=3 849 B6R0.1 CCC(=O)\C=C\Cl Amb17593220 [0,0,1,0,0,0|2,0,0]=3 850 B6R0.1 CCC(=O)\C=C\N Amb26341655 [0,0,1,0,0,0|2,0,0]=3 851 B6R0.1 CCC(=O)\C=N\O Amb27787349 [0,0,1,0,0,0|2,0,1]=4 852 B6R0.1 CCC(C)CC=O Amb33542231 [0,0,1,0,0,0|2,0,1]=4 853 B6R0.1 CCC(C)NC=O Amb4020746 [0,0,1,0,0,0|2,0,1]=4 854 B6R0.1 CCC(C)OC=O Amb22734039 [0,0,1,0,0,0|1,0,1]=3 855 B6R0.1 CCC(O)CC=O Amb27268436 [0,0,1,0,0,0|1,0,2]=4 856 B6R0.1 CCC(O)NC=O Amb28387408 [0,0,1,0,0,0|1,0,2]=4 857 B6R0.1 CCCC(=O)CC Amb8513390 [0,0,1,0,0,0|2,0,1]=4 858 B6R0.1 CCNC(=O)CC Amb3886529 [0,0,1,0,0,0|2,0,1]=4 859 B6R0.1 CCOC(=N)CC Amb17673175 [0,0,1,0,0,0|2,0,1]=4 860 B6R0.1 CCOC(=N)CC Amb20673165 [0,0,1,0,0,0|2,0,1]=4 861 B6R0.1 CCOC(=O)CBr Amb2687783 [0,0,1,0,0,0|2,0,1]=4 862 B6R0.1 CCOC(=O)CC Amb8513446 [0,0,1,0,0,0|1,0,1]=3 863 B6R0.1 CCOC(=O)CCl Amb3941486 [0,0,1,0,0,0|2,0,1]=4 864 B6R0.1 CCOC(=O)CF Amb2687849 [0,0,1,0,0,0|2,0,1]=4 865 B6R0.1 CCOC(=O)CI Amb8514613 [0,0,1,0,0,0|2,0,1]=4 866 B6R0.1 CCOC(=O)CN Amb2697340 [0,0,1,0,0,0|2,0,1]=4 867 B6R0.1 CCOC(=O)CN Amb8513174 [0,0,1,0,0,0|2,0,1]=4 868 B6R0.1 CCOC(=O)CO Amb3939196 [0,0,1,0,0,0|2,0,1]=4 869 B6R0.1 CCOC(=O)CS Amb6608734 [0,0,1,0,0,0|2,0,1]=4 870 B6R0.1 CCOC(=O)C[NH3+] Amb24113741 [0,0,1,0,0,0|2,0,1]=4 871 B6R0.1 CCOC(=O)NC Amb8516631 [0,0,1,0,0,0|2,0,1]=4 872 B6R0.1 CCOC(=O)OC Amb22732530 [0,0,1,0,0,0|2,0,1]=4 873 B6R0.1 CCOC(=S)CC Amb26873773 [0,0,1,0,0,0|1,1,1]=4 874 B6R0.1 CCSC(=O)CC Amb22043397 [0,0,1,0,0,0|1,1,1]=4 875 B6R0.1 CC[C@@H](O)CC=O Amb28287324 [0,0,1,0,0,0|1,0,2]=4 876 B6R0.1 CC\C(C)=C\C=O Amb28251868 [0,0,1,0,0,0|2,0,0]=3 877 B6R0.1 CC\C(Cl)=C\C=O Amb28202587 [0,0,1,0,0,0|2,0,0]=3 878 B6R0.1 CNC(=O)OCCl Amb29886185 [0,0,1,0,0,0|2,0,1]=4 879 B6R0.1 CNC(=O)\C=C/Br Amb27425015 [0,0,1,0,0,0|3,0,0]=4 880 B6R0.1 CNC(=O)\C=C\I Amb27966681 [0,0,1,0,0,0|3,0,0]=4 881 B6R0.1 COC(=O)CC=O Amb18199826 [0,0,1,0,0,0|2,0,0]=3 882 B6R0.1 COC(=O)N=C=O Amb16233562 [0,0,1,0,0,0|2,0,1]=4 883 B6R0.1 COC(=O)OCCl Amb20623618 [0,0,1,0,0,0|2,0,1]=4 884 B6R0.1 COC(=O)OCI Amb35753057 [0,0,1,0,0,0|2,0,1]=4 885 B6R0.1 COC(=O)\C=C/Br Amb10067501 [0,0,1,0,0,0|3,0,0]=4 886 B6R0.1 COC(=O)\C=C/Cl Amb27878734 [0,0,1,0,0,0|3,0,0]=4 887 B6R0.1 COC(=O)\C=C/I Amb2455616 [0,0,1,0,0,0|3,0,0]=4 888 B6R0.1 COC(=O)\C=C\Br Amb33986032 [0,0,1,0,0,0|3,0,0]=4 889 B6R0.1 COC(=O)\C=C\I Amb33986599 [0,0,1,0,0,0|3,0,0]=4 890 B6R0.1 COC(=O)\C=C\N Amb8386481 [0,0,1,0,0,0|3,0,0]=4 891 B6R0.1 COC(=O)\C=C\[O-] Amb32729428 [0,0,1,0,0,0|2,0,1]=4 892 B6R0.1 CSC(=O)OCCl Amb27602024 [0,0,1,0,0,0|2,0,1]=4 893 B6R0.1 C\C(=C/C=O)CBr Amb28396628 [0,0,1,0,0,0|3,0,0]=4 894 B6R0.1 C\C(=C/C=O)CCl Amb27224793 [0,0,1,0,0,0|3,0,0]=4 895 B6R0.1 C\C=C(/C)CC=O Amb18120886 [0,0,1,0,0,0|2,0,1]=4 896 B6R0.1 C\C=C\C(=O)CC Amb8517594 [0,0,1,0,0,0|2,0,0]=3 897 B6R0.1 C\C=C\C(=O)CCl Amb26438240 [0,0,1,0,0,0|3,0,0]=4 898 B6R0.1 C\C=C\C(=O)OC Amb8513568 [0,0,1,0,0,0|3,0,0]=4 899 B6R0.1 C\C=N\S(=O)CC Amb35685229 [0,0,1,0,0,0|3,0,0]=4 900 B6R0.1 NCC(=O)OCCl Amb27204265 [0,0,1,0,0,0|2,0,1]=4 901 B6R0.1 O=C(CCl)OCCl Amb27391668 [0,0,1,0,0,0|2,0,1]=4 902 B6R0.1 O=C(\C=C/Br)CCl Amb28050548 [0,0,1,0,0,0|3,0,0]=4 903 B6R0.1 O=C(\C=C\Cl)CCl Amb13952715 [0,0,1,0,0,0|3,0,0]=4 904 B6R0.1 O=C=CC(=O)CF Amb27838227 [0,0,1,0,0,0|2,0,1]=4 905 B6R0.1 O=C=NC(=O)CBr Amb26873597 [0,0,1,0,0,0|2,0,1]=4 906 B6R0.1 O=C=NC(=O)CCl Amb8515445 [0,0,1,0,0,0|2,0,1]=4 907 B6R0.1 O=COC(=O)CO Amb27457699 [0,0,1,0,0,0|1,0,0]=2 908 B6R0.1 O=NOC(=O)CBr Amb27761886 [0,0,1,0,0,0|2,0,0]=3 909 B6R0.2 C=C(C)C=C(C)C Amb8513505 [0,0,1,0,0,0|3,0,0]=4 910 B6R0.2 C=C(C)CC(=C)C Amb25887934 [0,0,1,0,0,0|3,0,0]=4 911 B6R0.2 C=C(C)CC(=O)O Amb6278832 [0,0,1,0,0,0|3,0,0]=4 912 B6R0.2 C=C(C)CC(C)=O Amb17593075 [0,0,1,0,0,0|2,0,0]=3 913 B6R0.2 C=C(C)OC(C)=O Amb6608981 [0,0,1,0,0,0|1,0,0]=2 914 B6R0.2 C=C(N)NC(C)=O Amb27949916 [0,0,1,0,0,0|2,0,1]=4 915 B6R0.2 CC(=O)C=C(C)C Amb2793052 [0,0,1,0,0,0|2,0,0]=3 916 B6R0.2 CC(=O)C=C(N)N Amb27788295 [0,0,1,0,0,0|3,0,0]=4 917 B6R0.2 CC(=O)CC(=O)F Amb28122452 [0,0,1,0,0,0|2,0,0]=3 918 B6R0.2 CC(=O)CC(=O)O Amb377432 [0,0,1,0,0,0|2,0,0]=3 919 B6R0.2 CC(=O)CC(=O)[O-] Amb31031013 [0,0,1,0,0,0|2,0,0]=3 920 B6R0.2 CC(=O)CC(C)=O Amb2716228 [0,0,1,0,0,0|1,0,0]=2 921 B6R0.2 CC(=O)CC(C)=S Amb28381251 [0,0,1,0,0,0|1,1,0]=3 922 B6R0.2 CC(=O)CC(C)C Amb4605990 [0,0,1,0,0,0|2,0,1]=4 923 B6R0.2 CC(=O)CC(C)Cl Amb17593234 [0,0,1,0,0,0|2,0,1]=4 924 B6R0.2 CC(=O)CC(C)N Amb22587050 [0,0,1,0,0,0|2,0,1]=4 925 B6R0.2 CC(=O)CC(C)N Amb2583230 [0,0,1,0,0,0|2,0,1]=4 926 B6R0.2 CC(=O)CC(C)O Amb17593091 [0,0,1,0,0,0|1,0,2]=4 927 B6R0.2 CC(=O)CC(C)S Amb24600676 [0,0,1,0,0,0|1,1,1]=4 928 B6R0.2 CC(=O)CC(C)[O-] Amb22053622 [0,0,1,0,0,0|1,0,2]=4 929 B6R0.2 CC(=O)CC(N)=O Amb6608777 [0,0,1,0,0,0|2,0,0]=3 930 B6R0.2 CC(=O)CN(C)C Amb9217324 [0,0,1,0,0,0|3,0,0]=4 931 B6R0.2 CC(=O)C[C@@H](C)N Amb27493422 [0,0,1,0,0,0|2,0,1]=4 932 B6R0.2 CC(=O)C[C@H](C)N Amb27222720 [0,0,1,0,0,0|2,0,1]=4 933 B6R0.2 CC(=O)C[N+](=O)[O-] Amb18833135 [0,0,1,0,0,0|3,0,0]=4 934 B6R0.2 CC(=O)C[PH](=O)O Amb27975190 [0,0,1,0,0,0|3,0,0]=4 935 B6R0.2 CC(=O)C[S+](C)Cl Amb27835653 [0,0,1,0,0,0|3,0,0]=4 936 B6R0.2 CC(=O)NC(=N)N Amb2236591 [0,0,1,0,0,0|3,0,0]=4 937 B6R0.2 CC(=O)NC(=N)N Amb22754056 [0,0,1,0,0,0|3,0,0]=4 938 B6R0.2 CC(=O)NC(=S)S Amb27464461 [0,0,1,0,0,0|2,1,0]=4 939 B6R0.2 CC(=O)NC(C)=O Amb4066511 [0,0,1,0,0,0|1,0,0]=2 940 B6R0.2 CC(=O)NC(C)=S Amb28246616 [0,0,1,0,0,0|1,1,0]=3 941 B6R0.2 CC(=O)NC(C)Br Amb27444682 [0,0,1,0,0,0|2,0,1]=4 942 B6R0.2 CC(=O)NC(C)C Amb3366263 [0,0,1,0,0,0|2,0,1]=4 943 B6R0.2 CC(=O)NC(C)N Amb27468729 [0,0,1,0,0,0|2,0,1]=4 944 B6R0.2 CC(=O)NC(N)=O Amb6891959 [0,0,1,0,0,0|2,0,0]=3 945 B6R0.2 CC(=O)NC(N)=S Amb10068733 [0,0,1,0,0,0|2,1,0]=4 946 B6R0.2 CC(=O)NN(C)C Amb25064806 [0,0,1,0,0,0|3,0,0]=4 947 B6R0.2 CC(=O)OC(C)=O Amb2793035 [0,0,1,0,0,0|0,0,0]=1 948 B6R0.2 CC(=O)OC(C)Br Amb19958925 [0,0,1,0,0,0|1,0,1]=3 949 B6R0.2 CC(=O)OC(C)C Amb3940484 [0,0,1,0,0,0|1,0,1]=3 950 B6R0.2 CC(=O)OC(C)Cl Amb24058273 [0,0,1,0,0,0|1,0,1]=3 951 B6R0.2 CC(=O)OC(C)N Amb27184949 [0,0,1,0,0,0|1,0,1]=3 952 B6R0.2 CC(=O)OC(C)O Amb27457187 [0,0,1,0,0,0|0,0,2]=3 953 B6R0.2 CC(=O)OC(Cl)Cl Amb28382549 [0,0,1,0,0,0|2,0,1]=4 954 B6R0.2 CC(=O)OC(N)=O Amb28283882 [0,0,1,0,0,0|1,0,0]=2 955 B6R0.2 CC(=O)O[N+](=O)[O-] Amb27188405 [0,0,1,0,0,0|2,0,0]=3 956 B6R0.2 CC(=O)O[SiH](C)C Amb2687439 [0,0,1,0,0,0|1,1,0]=3 957 B6R0.2 CC(=O)SC(=O)Cl Amb32679653 [0,0,1,0,0,0|1,1,0]=3 958 B6R0.2 CC(=O)SC(C)=O Amb4025813 [0,0,1,0,0,0|0,1,0]=2 959 B6R0.2 CC(=O)SC(N)=S Amb27235614 [0,0,1,0,0,0|1,2,0]=4 960 B6R0.2 CC(=O)[CH-]C(C)=O Amb34196937 [0,0,1,0,0,0|1,0,0]=2 961 B6R0.2 CC(=O)[CH-]C(C)=O Amb9787378 [0,0,1,0,0,0|1,0,0]=2 962 B6R0.2 CC(=O)\C=C(/C)N Amb1149988 [0,0,1,0,0,0|2,0,0]=3 963 B6R0.2 CC(=O)\C=C(/C)S Amb27658727 [0,0,1,0,0,0|1,1,0]=3 964 B6R0.2 CC(=O)\C=C(\C)Br Amb27838200 [0,0,1,0,0,0|2,0,0]=3 965 B6R0.2 CC(=O)\C=C(\C)Cl Amb27196730 [0,0,1,0,0,0|2,0,0]=3 966 B6R0.2 CC(=O)\C=C(\C)N Amb2720902 [0,0,1,0,0,0|2,0,0]=3 967 B6R0.2 CC(=O)\C=C(\C)O Amb34915197 [0,0,1,0,0,0|1,0,1]=3 968 B6R0.2 CC(=O)\C=C(\C)S Amb26910658 [0,0,1,0,0,0|1,1,0]=3 969 B6R0.2 CC(=O)\C=C(\C)[O-] Amb19959976 [0,0,1,0,0,0|1,0,1]=3 970 B6R0.2 CC(=O)\C=C(\C)[O-] Amb20239443 [0,0,1,0,0,0|1,0,1]=3 971 B6R0.2 CC(=O)\C=C(\C)[O-] Amb22045408 [0,0,1,0,0,0|1,0,1]=3 972 B6R0.2 CC(=O)\C=C(\C)[O-] Amb22053071 [0,0,1,0,0,0|1,0,1]=3 973 B6R0.2 CC(=O)\C=C(\C)[O-] Amb22053499 [0,0,1,0,0,0|1,0,1]=3 974 B6R0.2 CC(=O)\C=C(\C)[O-] Amb22053500 [0,0,1,0,0,0|1,0,1]=3 975 B6R0.2 CC(=O)\C=C(\C)[O-] Amb22053502 [0,0,1,0,0,0|1,0,1]=3 976 B6R0.2 CC(=O)\C=C(\C)[O-] Amb22053503 [0,0,1,0,0,0|1,0,1]=3 977 B6R0.2 CC(=O)\C=C(\C)[O-] Amb22053694 [0,0,1,0,0,0|1,0,1]=3 978 B6R0.2 CC(=O)\C=C(\C)[O-] Amb22053940 [0,0,1,0,0,0|1,0,1]=3 979 B6R0.2 CC(=O)\C=C(\C)[O-] Amb22054020 [0,0,1,0,0,0|1,0,1]=3 980 B6R0.2 CC(=O)\C=C(\C)[O-] Amb22466635 [0,0,1,0,0,0|1,0,1]=3 981 B6R0.2 CC(=O)\C=C(\C)[O-] Amb22729908 [0,0,1,0,0,0|1,0,1]=3 982 B6R0.2 CC(=O)\C=C(\C)[O-] Amb22730050 [0,0,1,0,0,0|1,0,1]=3 983 B6R0.2 CC(=O)\C=C(\C)[O-] Amb34915499 [0,0,1,0,0,0|1,0,1]=3 984 B6R0.2 CC(=O)\N=C(/C)N Amb27796085 [0,0,1,0,0,0|2,0,0]=3 985 B6R0.2 CC(=S)CC(=O)O Amb28067768 [0,0,1,0,0,0|2,1,0]=4 986 B6R0.2 CC(=S)OC(C)C Amb24697607 [0,0,1,0,0,0|1,1,1]=4 987 B6R0.2 CC(=S)\N=C(/C)N Amb27196670 [0,0,1,0,0,0|2,1,0]=4 988 B6R0.2 CC(C)=CC(=O)Cl Amb2782315 [0,0,1,0,0,0|3,0,0]=4 989 B6R0.2 CC(C)=CC(=O)O Amb1485519 [0,0,1,0,0,0|3,0,0]=4 990 B6R0.2 CC(C)=CC(N)=O Amb10561758 [0,0,1,0,0,0|3,0,0]=4 991 B6R0.2 CC(C)=NS(C)=O Amb35685212 [0,0,1,0,0,0|3,0,0]=4 992 B6R0.2 CC(C)OC(=O)Cl Amb3941687 [0,0,1,0,0,0|2,0,1]=4 993 B6R0.2 CC(C)OC(N)=O Amb4017684 [0,0,1,0,0,0|2,0,1]=4 994 B6R0.2 CC(Cl)OC(=O)Cl Amb6608999 [0,0,1,0,0,0|2,0,1]=4 995 B6R0.2 CP(O)OC(N)=O Amb27436991 [0,0,1,0,0,0|2,0,1]=4 996 B6R0.2 CS(=O)CC(N)=O Amb24394100 [0,0,1,0,0,0|3,0,0]=4 997 B6R0.2 C\C(Cl)=C/C(=O)O Amb18123483 [0,0,1,0,0,0|3,0,0]=4 998 B6R0.2 C\C(Cl)=C\C(=O)O Amb28050474 [0,0,1,0,0,0|3,0,0]=4 999 B6R0.2 C\C(F)=C/C(=O)O Amb27185433 [0,0,1,0,0,0|3,0,0]=4 1000 B6R0.2 C\C(I)=C/C(=O)O Amb33329900 [0,0,1,0,0,0|3,0,0]=4 1001 B6R0.2 C\C(I)=C\C(=O)O Amb24741877 [0,0,1,0,0,0|3,0,0]=4 1002 B6R0.2 C\C(I)=C\C(N)=O Amb28058366 [0,0,1,0,0,0|3,0,0]=4 1003 B6R0.2 C\C(N)=C/C(=O)O Amb27421114 [0,0,1,0,0,0|3,0,0]=4 1004 B6R0.2 C\C(N)=C/C(N)=O Amb26600164 [0,0,1,0,0,0|3,0,0]=4 1005 B6R0.2 C\C(S)=C\C(N)=O Amb27596108 [0,0,1,0,0,0|2,1,0]=4 1006 B6R0.2 NC(=O)CC(=O)O Amb4034884 [0,0,1,0,0,0|3,0,0]=4 1007 B6R0.2 NC(=O)CC(=O)[O-] Amb22263088 [0,0,1,0,0,0|3,0,0]=4 1008 B6R0.2 NC(=O)CC(N)=O Amb1971463 [0,0,1,0,0,0|3,0,0]=4 1009 B6R0.2 NC(=O)NC(N)=O Amb6346179 [0,0,1,0,0,0|3,0,0]=4 1010 B6R0.2 O=C(Cl)CC(=O)Cl Amb3940237 [0,0,1,0,0,0|3,0,0]=4 1011 B6R0.2 O=C(O)CC(=O)Cl Amb26946943 [0,0,1,0,0,0|3,0,0]=4 1012 B6R0.2 O=C(O)CC(=O)O Amb2689065 [0,0,1,0,0,0|3,0,0]=4 1013 B6R0.2 O=C([O-])CC(=O)[O-] Amb8516686 [0,0,1,0,0,0|3,0,0]=4 1014 B6R0.2 O=C([O-])CC(=O)[O-] Amb8516816 [0,0,1,0,0,0|3,0,0]=4 1015 B6R0.4 C#CCCC(=O)Cl Amb26949181 [0,0,1,0,0,0|2,0,1]=4 1016 B6R0.4 C#CCCC(=O)O Amb33532622 [0,0,1,0,0,0|1,0,1]=3 1017 B6R0.4 C#CCCC(=O)[O-] Amb22232009 [0,0,1,0,0,0|1,0,2]=4 1018 B6R0.4 C#CCCC(C)=O Amb8869638 [0,0,1,0,0,0|2,0,1]=4 1019 B6R0.4 C=C=CCC(=O)O Amb26657414 [0,0,1,0,0,0|1,0,2]=4 1020 B6R0.4 C=CCCB(O)O Amb10067042 [0,0,1,0,0,0|2,0,1]=4 1021 B6R0.4 C=CCCC(=C)C Amb22228883 [0,0,1,0,0,0|3,0,0]=4 1022 B6R0.4 C=CCCC(=N)N Amb25326954 [0,0,1,0,0,0|3,0,0]=4 1023 B6R0.4 C=CCCC(=O)Cl Amb3939003 [0,0,1,0,0,0|2,0,0]=3 1024 B6R0.4 C=CCCC(=O)O Amb3940112 [0,0,1,0,0,0|1,0,0]=2 1025 B6R0.4 C=CCCC(C)=O Amb2721704 [0,0,1,0,0,0|2,0,0]=3 1026 B6R0.4 C=CCCC(C)O Amb22059013 [0,0,1,0,0,0|2,0,1]=4 1027 B6R0.4 C=CCCC(C)O Amb34915890 [0,0,1,0,0,0|2,0,1]=4 1028 B6R0.4 C=CCCC(N)=O Amb28136349 [0,0,1,0,0,0|2,0,0]=3 1029 B6R0.4 C=CCCS(=O)[O-] Amb25680826 [0,0,1,0,0,0|2,0,1]=4 1030 B6R0.4 C=CCC[C@@H](C)O Amb19929324 [0,0,1,0,0,0|2,0,1]=4 1031 B6R0.4 C=CCC[C@H](C)O Amb22226511 [0,0,1,0,0,0|2,0,1]=4 1032 B6R0.4 C=CCNC(C)=O Amb5797445 [0,0,1,0,0,0|3,0,0]=4 1033 B6R0.4 C=CCNC(N)=O Amb6599864 [0,0,1,0,0,0|3,0,0]=4 1034 B6R0.4 C=CCOC(=O)Cl Amb6600570 [0,0,1,0,0,0|3,0,0]=4 1035 B6R0.4 C=CCOC(N)=O Amb4017585 [0,0,1,0,0,0|3,0,0]=4 1036 B6R0.4 C=CNCC(=O)O Amb28346027 [0,0,1,0,0,0|2,0,0]=3 1037 B6R0.4 C=COCC(=O)O Amb27247261 [0,0,1,0,0,0|2,0,0]=3 1038 B6R0.4 C=COCC(C)=O Amb27838258 [0,0,1,0,0,0|3,0,0]=4 1039 B6R0.4 CC#CCC(=O)O Amb17939740 [0,0,1,0,0,0|1,0,2]=4 1040 B6R0.4 CC(=O)CCC#N Amb17334046 [0,0,1,0,0,0|2,0,1]=4 1041 B6R0.4 CC(=O)CCC=O Amb18639597 [0,0,1,0,0,0|1,0,0]=2 1042 B6R0.4 CC(=O)CCCBr Amb8394105 [0,0,1,0,0,0|2,0,1]=4 1043 B6R0.4 CC(=O)CCCCl Amb3940272 [0,0,1,0,0,0|2,0,1]=4 1044 B6R0.4 CC(=O)CCCF Amb25068187 [0,0,1,0,0,0|2,0,1]=4 1045 B6R0.4 CC(=O)CCCN Amb18121547 [0,0,1,0,0,0|2,0,1]=4 1046 B6R0.4 CC(=O)CCCN Amb32661221 [0,0,1,0,0,0|2,0,1]=4 1047 B6R0.4 CC(=O)CCCN Amb32661286 [0,0,1,0,0,0|2,0,1]=4 1048 B6R0.4 CC(=O)CCCO Amb3940340 [0,0,1,0,0,0|1,0,2]=4 1049 B6R0.4 CC(=O)NCC=O Amb25757509 [0,0,1,0,0,0|2,0,0]=3 1050 B6R0.4 CC(=O)SCC=O Amb27873378 [0,0,1,0,0,0|2,0,0]=3 1051 B6R0.4 CC(=O)\C=C/C=O Amb27424884 [0,0,1,0,0,0|1,0,2]=4 1052 B6R0.4 CC(C)=CCC=O Amb18120881 [0,0,1,0,0,0|2,0,1]=4 1053 B6R0.4 CC(C)CCC=O Amb17673735 [0,0,1,0,0,0|2,0,1]=4 1054 B6R0.4 CC(Cl)CCC=O Amb18124284 [0,0,1,0,0,0|2,0,1]=4 1055 B6R0.4 CC(O)CCC=O Amb17593090 [0,0,1,0,0,0|1,0,1]=3 1056 B6R0.4 CC(O)COC=O Amb27436963 [0,0,1,0,0,0|2,0,1]=4 1057 B6R0.4 CC=C=CC(=O)O Amb17593065 [0,0,1,0,0,0|1,0,2]=4 1058 B6R0.4 CCCCC(=O)Cl Amb3939066 [0,0,1,0,0,0|2,0,1]=4 1059 B6R0.4 CCCCC(=O)O Amb3939877 [0,0,1,0,0,0|1,0,1]=3 1060 B6R0.4 CCCCC(=O)[O-] Amb22056343 [0,0,1,0,0,0|1,0,2]=4 1061 B6R0.4 CCCCC(C)=O Amb6608652 [0,0,1,0,0,0|2,0,1]=4 1062 B6R0.4 CCCCC(N)=O Amb6891958 [0,0,1,0,0,0|2,0,1]=4 1063 B6R0.4 CCCC[PH](=O)O Amb8391286 [0,0,1,0,0,0|2,0,1]=4 1064 B6R0.4 CCNCC(=O)O Amb10609667 [0,0,1,0,0,0|2,0,1]=4 1065 B6R0.4 CCNCC(=O)O Amb7764661 [0,0,1,0,0,0|2,0,1]=4 1066 B6R0.4 CCOCC(=O)O Amb3939880 [0,0,1,0,0,0|2,0,1]=4 1067 B6R0.4 CCPCC(=O)O Amb28321137 [0,0,1,0,0,0|2,0,1]=4 1068 B6R0.4 CCSCC(=O)O Amb1125185 [0,0,1,0,0,0|2,0,1]=4 1069 B6R0.4 CN(C)CCC=O Amb22001057 [0,0,1,0,0,0|3,0,0]=4 1070 B6R0.4 CNCCC(=O)Cl Amb27422890 [0,0,1,0,0,0|3,0,0]=4 1071 B6R0.4 CNCCC(=O)O Amb10609760 [0,0,1,0,0,0|2,0,0]=3 1072 B6R0.4 CNCCC(=O)O Amb7766400 [0,0,1,0,0,0|2,0,0]=3 1073 B6R0.4 CNCCC(C)=O Amb24560306 [0,0,1,0,0,0|3,0,0]=4 1074 B6R0.4 CNCCC(C)=O Amb28827637 [0,0,1,0,0,0|3,0,0]=4 1075 B6R0.4 CNCCC(N)=O Amb19959913 [0,0,1,0,0,0|3,0,0]=4 1076 B6R0.4 CNCCC(N)=O Amb33538309 [0,0,1,0,0,0|3,0,0]=4 1077 B6R0.4 COCCC(=O)Cl Amb2689274 [0,0,1,0,0,0|3,0,0]=4 1078 B6R0.4 COCCC(=O)O Amb3938990 [0,0,1,0,0,0|2,0,0]=3 1079 B6R0.4 COCCC(C)=O Amb7764907 [0,0,1,0,0,0|3,0,0]=4 1080 B6R0.4 COCCC(N)=O Amb33538943 [0,0,1,0,0,0|3,0,0]=4 1081 B6R0.4 CSCCC(=O)O Amb3939879 [0,0,1,0,0,0|2,0,0]=3 1082 B6R0.4 CSCCC(C)=O Amb8392858 [0,0,1,0,0,0|3,0,0]=4 1083 B6R0.4 CSSCC(=O)O Amb25378801 [0,0,1,0,0,0|3,0,0]=4 1084 B6R0.4 C[C@@H](Cl)CCC=O Amb27595266 [0,0,1,0,0,0|2,0,1]=4 1085 B6R0.4 C[C@H](Cl)CCC=O Amb28141995 [0,0,1,0,0,0|2,0,1]=4 1086 B6R0.4 C[C@H](O)CCC=O Amb27188424 [0,0,1,0,0,0|1,0,1]=3 1087 B6R0.4 C\C=C\CC(=O)O Amb3941538 [0,0,1,0,0,0|1,0,1]=3 1088 B6R0.4 C\C=C\CC(N)=O Amb26589975 [0,0,1,0,0,0|2,0,1]=4 1089 B6R0.4 N#CCCC(=O)Cl Amb25106570 [0,0,1,0,0,0|2,0,1]=4 1090 B6R0.4 N#CCCC(=O)O Amb2694975 [0,0,1,0,0,0|1,0,1]=3 1091 B6R0.4 N#CCCC(N)=O Amb8841150 [0,0,1,0,0,0|2,0,1]=4 1092 B6R0.4 N=CNCC(=O)Cl Amb27216499 [0,0,1,0,0,0|3,0,0]=4 1093 B6R0.4 N=CNCC(=O)O Amb24670244 [0,0,1,0,0,0|2,0,0]=3 1094 B6R0.4 NC(=O)CCCCl Amb1138237 [0,0,1,0,0,0|2,0,1]=4 1095 B6R0.4 NC(=O)CCCF Amb28073400 [0,0,1,0,0,0|2,0,1]=4 1096 B6R0.4 NC(=O)CCCO Amb20623438 [0,0,1,0,0,0|1,0,2]=4 1097 B6R0.4 NC(=O)CCCS Amb27174778 [0,0,1,0,0,0|1,1,1]=4 1098 B6R0.4 NC(=O)C\C=C/Cl Amb27593169 [0,0,1,0,0,0|2,0,1]=4 1099 B6R0.4 NC(=O)NNC=O Amb27874930 [0,0,1,0,0,0|3,0,0]=4 1100 B6R0.4 NC(=S)CNC=O Amb24479904 [0,0,1,0,0,0|2,1,0]=4 1101 B6R0.4 NCCCC(=O)Cl Amb1935063 [0,0,1,0,0,0|2,0,1]=4 1102 B6R0.4 NCCCC(=O)O Amb1935210 [0,0,1,0,0,0|1,0,1]=3 1103 B6R0.4 NCCCC(N)=O Amb2099583 [0,0,1,0,0,0|2,0,1]=4 1104 B6R0.4 NCCCC(N)=O Amb6543438 [0,0,1,0,0,0|2,0,1]=4 1105 B6R0.4 NCCCS(=O)O Amb25185942 [0,0,1,0,0,0|2,0,1]=4 1106 B6R0.4 NCCC[PH](=O)O Amb22370049 [0,0,1,0,0,0|2,0,1]=4 1107 B6R0.4 NNCCC(=O)O Amb33756816 [0,0,1,0,0,0|2,0,0]=3 1108 B6R0.4 NOCCC(=O)O Amb17569891 [0,0,1,0,0,0|2,0,0]=3 1109 B6R0.4 NOCCC(=O)O Amb32693437 [0,0,1,0,0,0|2,0,0]=3 1110 B6R0.4 NOCCC(N)=O Amb27838275 [0,0,1,0,0,0|3,0,0]=4 1111 B6R0.4 O=C(Br)CCCBr Amb25724818 [0,0,1,0,0,0|2,0,1]=4 1112 B6R0.4 O=C(Cl)CCCBr Amb3940241 [0,0,1,0,0,0|2,0,1]=4 1113 B6R0.4 O=C(Cl)CCCCl Amb6608638 [0,0,1,0,0,0|2,0,1]=4 1114 B6R0.4 O=C(O)CCCBr Amb8393276 [0,0,1,0,0,0|1,0,1]=3 1115 B6R0.4 O=C(O)CCCCl Amb3940333 [0,0,1,0,0,0|1,0,1]=3 1116 B6R0.4 O=C(O)CCCF Amb17593104 [0,0,1,0,0,0|1,0,1]=3 1117 B6R0.4 O=C(O)CCCI Amb22295911 [0,0,1,0,0,0|1,0,1]=3 1118 B6R0.4 O=C(O)CCCO Amb18640332 [0,0,1,0,0,0|0,0,2]=3 1119 B6R0.4 O=C(O)CCCS Amb16185429 [0,0,1,0,0,0|0,1,1]=3 1120 B6R0.4 O=C(O)CCNO Amb28067767 [0,0,1,0,0,0|1,0,1]=3 1121 B6R0.4 O=C(O)CCSCl Amb28387511 [0,0,1,0,0,0|2,0,0]=3 1122 B6R0.4 O=C(O)COCF Amb33378705 [0,0,1,0,0,0|2,0,1]=4 1123 B6R0.4 O=C(O)CPCO Amb28340565 [0,0,1,0,0,0|1,0,2]=4 1124 B6R0.4 O=C(O)CSSCl Amb27477882 [0,0,1,0,0,0|3,0,0]=4 1125 B6R0.4 O=C(O)C\C=C/Br Amb27483815 [0,0,1,0,0,0|1,0,1]=3 1126 B6R0.4 O=C(O)C\C=C\Cl Amb25111871 [0,0,1,0,0,0|1,0,1]=3 1127 B6R0.4 O=C([O-])CCCO Amb3429667 [0,0,1,0,0,0|0,0,3]=4 1128 B6R0.4 O=CCCC(=O)O Amb17673897 [0,0,1,0,0,0|0,0,0]=1 1129 B6R0.4 O=CCCC(F)F Amb25848573 [0,0,1,0,0,0|2,0,1]=4 1130 B6R0.4 O=CCCC(O)O Amb27838257 [0,0,1,0,0,0|0,0,2]=3 1131 B6R0.4 O=CCC[N+](=O)[O-] Amb24052990 [0,0,1,0,0,0|1,0,1]=3 1132 B6R0.4 O=CNCC(=O)O Amb1911508 [0,0,1,0,0,0|1,0,0]=2 1133 B6R0.4 O=COCC(=O)O Amb26624011 [0,0,1,0,0,0|1,0,0]=2 1134 B6R0.4 O=C\C=C/C(=O)O Amb26023446 [0,0,1,0,0,0|0,0,2]=3 1135 B6R0.4 O=[PH](O)CCCO Amb28345330 [0,0,1,0,0,0|1,0,2]=4 1136 B6R0.4 [N-]=[N+]=NCC(=O)O Amb10070956 [0,0,1,0,0,0|3,0,0]=4 1137 B8R2.4 O=C1CC2CC1C2 Amb24426322 [0,0,0,1,0,0|2,0,1]=4 1138 B8R2.4 O=C1NC2CC1C2 Amb27848619 [0,0,0,1,0,0|2,0,1]=4 1139 B8R2.18 O=C1CC2CC2C1 Amb25750119 [0,0,0,1,0,0|2,0,1]=4 1140 B8R2.18 O=C1CC2OC2C1 Amb25050255 [0,0,0,1,0,0|1,0,2]=4 1141 B8R2.18 O=C1C[C@@H]2C[C@@H]2C1 Amb28350467 [0,0,0,1,0,0|2,0,1]=4 1142 B8R2.38 O=C1CCC2CC12 Amb22736104 [0,0,0,1,0,0|2,0,1]=4 1143 B8R2.38 O=C1CCC2OC12 Amb28141441 [0,0,0,1,0,0|1,0,2]=4 1144 B8R2.38 O=C1CC[C@@H]2C[C@H]12 Amb24623125 [0,0,0,1,0,0|2,0,1]=4 1145 B8R2.38 O=C1CC[C@H]2C[C@@H]12 Amb27845572 [0,0,0,1,0,0|2,0,1]=4 1146 B6R1.4 C=C1CCC1C Amb27424508 [0,0,0,0,1,0|2,0,1]=4 1147 B6R1.4 C=C1CCC1Cl Amb27637701 [0,0,0,0,1,0|2,0,1]=4 1148 B6R1.4 CC1CCC1=O Amb17593022 [0,0,0,0,1,0|1,0,1]=3 1149 B6R1.4 CC1CNC1=O Amb24444140 [0,0,0,0,1,0|2,0,1]=4 1150 B6R1.4 CC1COC1=O Amb25794274 [0,0,0,0,1,0|2,0,1]=4 1151 B6R1.4 CC1OCC1=O Amb23456088 [0,0,0,0,1,0|2,0,1]=4 1152 B6R1.4 C[C@H]1CNC1=O Amb27620602 [0,0,0,0,1,0|2,0,1]=4 1153 B6R1.4 N=C1CNC1=O Amb27255646 [0,0,0,0,1,0|2,0,0]=3 1154 B6R1.4 NC1CCC1=O Amb22896568 [0,0,0,0,1,0|1,0,1]=3 1155 B6R1.4 NC1CCC1=O Amb25887804 [0,0,0,0,1,0|1,0,1]=3 1156 B6R1.4 NC1CNC1=O Amb18832512 [0,0,0,0,1,0|2,0,1]=4 1157 B6R1.4 NC1CNC1=O Amb32671465 [0,0,0,0,1,0|2,0,1]=4 1158 B6R1.4 NN1CCC1=O Amb27860475 [0,0,0,0,1,0|2,0,0]=3 1159 B6R1.4 NN1CCC1=O Amb30625658 [0,0,0,0,1,0|2,0,0]=3 1160 B6R1.4 N[C@@H]1CNC1=O Amb22751418 [0,0,0,0,1,0|2,0,1]=4 1161 B6R1.4 N[C@@H]1CNC1=O Amb30982058 [0,0,0,0,1,0|2,0,1]=4 1162 B6R1.4 N[C@@H]1COC1=O Amb22748014 [0,0,0,0,1,0|2,0,1]=4 1163 B6R1.4 N[C@H]1CNC1=O Amb25811302 [0,0,0,0,1,0|2,0,1]=4 1164 B6R1.4 N[C@H]1CNC1=O Amb31291144 [0,0,0,0,1,0|2,0,1]=4 1165 B6R1.4 N[C@H]1COC1=O Amb28315731 [0,0,0,0,1,0|2,0,1]=4 1166 B6R1.4 N[C@H]1CSC1=O Amb27391192 [0,0,0,0,1,0|2,0,1]=4 1167 B6R1.4 O=C1C=CC1=O Amb22731249 [0,0,0,0,1,0|0,0,2]=3 1168 B6R1.4 O=C1CCC1=O Amb4036402 [0,0,0,0,1,0|0,0,0]=1 1169 B6R1.4 O=C1CCC1Br Amb21964157 [0,0,0,0,1,0|1,0,1]=3 1170 B6R1.4 O=C1CCC1Cl Amb33544158 [0,0,0,0,1,0|1,0,1]=3 1171 B6R1.4 O=C1CCC1O Amb17593027 [0,0,0,0,1,0|0,0,2]=3 1172 B6R1.4 O=C1CNC1=O Amb27973276 [0,0,0,0,1,0|1,0,0]=2 1173 B6R1.4 O=C1NCC1O Amb24689689 [0,0,0,0,1,0|1,0,2]=4 1174 B6R1.4 O=C1NNC1=O Amb25328306 [0,0,0,0,1,0|2,0,0]=3 1175 B6R1.5 CC1=CC(=O)C1 Amb27451158 [0,0,0,0,1,0|2,0,0]=3 1176 B6R1.5 CC1CC(=O)C1 Amb22284831 [0,0,0,0,1,0|2,0,1]=4 1177 B6R1.5 CC1CC(=O)N1 Amb28383498 [0,0,0,0,1,0|2,0,1]=4 1178 B6R1.5 CC1CC(=O)O1 Amb13777279 [0,0,0,0,1,0|1,0,1]=3 1179 B6R1.5 CC1CC(=O)S1 Amb27424521 [0,0,0,0,1,0|1,1,1]=4 1180 B6R1.5 CN1CC(=O)C1 Amb22292462 [0,0,0,0,1,0|3,0,0]=4 1181 B6R1.5 CN1CC(=O)C1 Amb30869395 [0,0,0,0,1,0|3,0,0]=4 1182 B6R1.5 C[C@@H]1CC(=O)N1 Amb26611068 [0,0,0,0,1,0|2,0,1]=4 1183 B6R1.5 C[C@H]1CC(=O)O1 Amb16234264 [0,0,0,0,1,0|1,0,1]=3 1184 B6R1.5 NC1CC(=O)C1 Amb20241928 [0,0,0,0,1,0|2,0,1]=4 1185 B6R1.5 NC1CC(=O)C1 Amb23439093 [0,0,0,0,1,0|2,0,1]=4 1186 B6R1.5 O=C1CC(=O)C1 Amb27832187 [0,0,0,0,1,0|1,0,0]=2 1187 B6R1.5 O=C1CC(=O)N1 Amb27402706 [0,0,0,0,1,0|1,0,0]=2 1188 B6R1.5 O=C1CC(=S)N1 Amb27815147 [0,0,0,0,1,0|1,1,0]=3 1189 B6R1.5 O=C1CC(Br)C1 Amb33548005 [0,0,0,0,1,0|2,0,1]=4 1190 B6R1.5 O=C1CC(F)C1 Amb27260513 [0,0,0,0,1,0|2,0,1]=4 1191 B6R1.5 O=C1CC(F)N1 Amb24588463 [0,0,0,0,1,0|2,0,1]=4 1192 B6R1.5 O=C1CC(O)C1 Amb22235480 [0,0,0,0,1,0|1,0,2]=4 1193 B6R1.5 O=C1C[C@@H](Br)N1 Amb26634817 [0,0,0,0,1,0|2,0,1]=4 1194 B8R1.3 C=C1CCC(=C)CC1 Amb22227744 [0,0,0,0,0,1|3,0,0]=4 1195 B8R1.3 C=C1CCC(=C)N=N1 Amb28129467 [0,0,0,0,0,1|3,0,0]=4 1196 B8R1.3 C=C1CCC(=O)CC1 Amb22229828 [0,0,0,0,0,1|2,0,0]=3 1197 B8R1.3 C=C1CCC(C)OC1 Amb30011003 [0,0,0,0,0,1|2,0,1]=4 1198 B8R1.3 CC1=CCC(=O)CC1 Amb17617292 [0,0,0,0,0,1|2,0,0]=3 1199 B8R1.3 CC1=CNC(=O)CO1 Amb27390806 [0,0,0,0,0,1|2,0,1]=4 1200 B8R1.3 CC1=COC(=O)C=C1 Amb27595539 [0,0,0,0,0,1|1,0,2]=4 1201 B8R1.3 CC1=NNC(=O)CC1 Amb2606146 [0,0,0,0,0,1|2,0,0]=3 1202 B8R1.3 CC1=NNC(=O)NC1 Amb3777345 [0,0,0,0,0,1|3,0,0]=4 1203 B8R1.3 CC1C=CC(=O)CC1 Amb24556470 [0,0,0,0,0,1|2,0,1]=4 1204 B8R1.3 CC1CCC(=O)CC1 Amb6608654 [0,0,0,0,0,1|2,0,1]=4 1205 B8R1.3 CC1CCC(=O)CN1 Amb26979747 [0,0,0,0,0,1|2,0,1]=4 1206 B8R1.3 CC1CCC(=O)CN1 Amb32686523 [0,0,0,0,0,1|2,0,1]=4 1207 B8R1.3 CC1CCC(=O)CO1 Amb22491005 [0,0,0,0,0,1|1,0,1]=3 1208 B8R1.3 CC1CCC(=O)CS1 Amb23568547 [0,0,0,0,0,1|1,1,1]=4 1209 B8R1.3 CC1CCC(=O)NC1 Amb13952062 [0,0,0,0,0,1|2,0,1]=4 1210 B8R1.3 CC1CCC(=O)NN1 Amb27443930 [0,0,0,0,0,1|2,0,1]=4 1211 B8R1.3 CC1CCC(=O)OC1 Amb27667524 [0,0,0,0,0,1|1,0,1]=3 1212 B8R1.3 CC1CNC(=O)CO1 Amb22371080 [0,0,0,0,0,1|2,0,1]=4 1213 B8R1.3 CC1OCC(=O)CO1 Amb28316125 [0,0,0,0,0,1|2,0,1]=4 1214 B8R1.3 CN1C=CC(=O)CC1 Amb17593148 [0,0,0,0,0,1|3,0,0]=4 1215 B8R1.3 CN1CCC(=O)CC1 Amb2725656 [0,0,0,0,0,1|3,0,0]=4 1216 B8R1.3 C[C@@H]1C=CC(=O)CC1 Amb28144188 [0,0,0,0,0,1|2,0,1]=4 1217 B8R1.3 C[C@@H]1CCC(=O)CN1 Amb24481509 [0,0,0,0,0,1|2,0,1]=4 1218 B8R1.3 C[C@@H]1CCC(=O)OC1 Amb26004046 [0,0,0,0,0,1|1,0,1]=3 1219 B8R1.3 C[C@@H]1CNC(=O)CO1 Amb27470503 [0,0,0,0,0,1|2,0,1]=4 1220 B8R1.3 C[C@H]1CCC(=O)NC1 Amb27838374 [0,0,0,0,0,1|2,0,1]=4 1221 B8R1.3 C[C@H]1CNC(=O)CO1 Amb24589385 [0,0,0,0,0,1|2,0,1]=4 1222 B8R1.3 NC1CCC(=O)CC1 Amb10067105 [0,0,0,0,0,1|2,0,1]=4 1223 B8R1.3 NC1CCC(=O)CC1 Amb21862513 [0,0,0,0,0,1|2,0,1]=4 1224 B8R1.3 NC1CCC(=O)NC1 Amb13952208 [0,0,0,0,0,1|2,0,1]=4 1225 B8R1.3 NC1CCC(=O)NC1 Amb18833034 [0,0,0,0,0,1|2,0,1]=4 1226 B8R1.3 N[C@@H]1CCC(=O)NC1 Amb2699221 [0,0,0,0,0,1|2,0,1]=4 1227 B8R1.3 N[C@@H]1CCC(=O)NC1 Amb27432343 [0,0,0,0,0,1|2,0,1]=4 1228 B8R1.3 N[C@H]1CCC(=O)NC1 Amb22748949 [0,0,0,0,0,1|2,0,1]=4 1229 B8R1.3 N[C@H]1CCC(=O)NC1 Amb2699220 [0,0,0,0,0,1|2,0,1]=4 1230 B8R1.3 O=C1C=CC(=O)C=C1 Amb6600120 [0,0,0,0,0,1|1,0,2]=4 1231 B8R1.3 O=C1C=CC(=O)C=C1 Amb8516773 [0,0,0,0,0,1|1,0,2]=4 1232 B8R1.3 O=C1C=CC(=O)N=N1 Amb22498641 [0,0,0,0,0,1|1,0,2]=4 1233 B8R1.3 O=C1C=CC(=O)NN1 Amb19651991 [0,0,0,0,0,1|1,0,2]=4 1234 B8R1.3 O=C1C=CC(Cl)=CO1 Amb20247269 [0,0,0,0,0,1|1,0,2]=4 1235 B8R1.3 O=C1C=CC(I)=CO1 Amb20247268 [0,0,0,0,0,1|1,0,2]=4 1236 B8R1.3 O=C1C=CC(O)CC1 Amb28048996 [0,0,0,0,0,1|1,0,2]=4 1237 B8R1.3 O=C1C=CS(=O)CC1 Amb27948688 [0,0,0,0,0,1|2,0,0]=3 1238 B8R1.3 O=C1C=NC(=O)NN1 Amb27245613 [0,0,0,0,0,1|2,0,1]=4 1239 B8R1.3 O=C1CCC(=O)CC1 Amb6471902 [0,0,0,0,0,1|1,0,0]=2 1240 B8R1.3 O=C1CCC(=O)NC1 Amb15692796 [0,0,0,0,0,1|1,0,0]=2 1241 B8R1.3 O=C1CCC(=O)NN1 Amb22365926 [0,0,0,0,0,1|1,0,0]=2 1242 B8R1.3 O=C1CCC(=O)OC1 Amb26404271 [0,0,0,0,0,1|0,0,0]=1 1243 B8R1.3 O=C1CCC(Br)CC1 Amb28342260 [0,0,0,0,0,1|2,0,1]=4 1244 B8R1.3 O=C1CCC(Cl)CC1 Amb26585218 [0,0,0,0,0,1|2,0,1]=4 1245 B8R1.3 O=C1CCC(F)CC1 Amb20671078 [0,0,0,0,0,1|2,0,1]=4 1246 B8R1.3 O=C1CCC(I)CC1 Amb27232393 [0,0,0,0,0,1|2,0,1]=4 1247 B8R1.3 O=C1CCC(O)CC1 Amb2699831 [0,0,0,0,0,1|1,0,2]=4 1248 B8R1.3 O=C1CCC(O)CN1 Amb10066907 [0,0,0,0,0,1|1,0,2]=4 1249 B8R1.3 O=C1CCC(O)CO1 Amb26345105 [0,0,0,0,0,1|0,0,2]=3 1250 B8R1.3 O=C1CCN(Cl)CC1 Amb27430526 [0,0,0,0,0,1|3,0,0]=4 1251 B8R1.3 O=C1CCS(=O)CC1 Amb2612398 [0,0,0,0,0,1|2,0,0]=3 1252 B8R1.3 O=C1CC[C@@H](O)CN1 Amb2698033 [0,0,0,0,0,1|1,0,2]=4 1253 B8R1.3 O=C1CC[C@H](O)CN1 Amb2698032 [0,0,0,0,0,1|1,0,2]=4 1254 B8R1.3 O=C1CNC(=O)C=N1 Amb27838363 [0,0,0,0,0,1|2,0,0]=3 1255 B8R1.3 O=C1CNC(=O)CN1 Amb1011605 [0,0,0,0,0,1|2,0,0]=3 1256 B8R1.3 O=C1CNC(=O)NN1 Amb27655538 [0,0,0,0,0,1|2,0,0]=3 1257 B8R1.3 O=C1COC(=O)CN1 Amb2612815 [0,0,0,0,0,1|1,0,0]=2 1258 B8R1.3 O=C1COC(=O)CO1 Amb2725557 [0,0,0,0,0,1|1,0,0]=2 1259 B8R1.3 O=C1CSC(=O)SC1 Amb28074747 [0,0,0,0,0,1|1,1,0]=3 1260 B8R1.3 O=C1NCC(O)CO1 Amb27210928 [0,0,0,0,0,1|1,0,2]=4 1261 B8R1.3 O=c1ccc(Br)co1 Amb22231971 [0,0,0,0,0,1|1,0,2]=4 1262 B8R1.4 C=C1CCCC(=C)C1 Amb17940138 [0,0,0,0,0,1|3,0,0]=4 1263 B8R1.4 C=C1CCCC(=O)C1 Amb28132034 [0,0,0,0,0,1|2,0,0]=3 1264 B8R1.4 CC1=CC(=O)CCC1 Amb17776565 [0,0,0,0,0,1|2,0,0]=3 1265 B8R1.4 CC1=CC(=O)CSC1 Amb28316129 [0,0,0,0,0,1|2,0,0]=3 1266 B8R1.4 CC1=CC(=O)NCC1 Amb27170325 [0,0,0,0,0,1|2,0,0]=3 1267 B8R1.4 CC1=CC(N)=NCC1 Amb25336795 [0,0,0,0,0,1|3,0,0]=4 1268 B8R1.4 CC1=CC=CC(=O)O1 Amb20247496 [0,0,0,0,0,1|1,0,2]=4 1269 B8R1.4 CC1=CCCC(=O)C1 Amb27661853 [0,0,0,0,0,1|2,0,0]=3 1270 B8R1.4 CC1=CCCC(=O)N1 Amb27949580 [0,0,0,0,0,1|2,0,0]=3 1271 B8R1.4 CC1=CCCC(=O)O1 Amb21520320 [0,0,0,0,0,1|1,0,0]=2 1272 B8R1.4 CC1=CCNC(=O)O1 Amb23596886 [0,0,0,0,0,1|1,0,1]=3 1273 B8R1.4 CC1=CSCC(=O)N1 Amb2386684 [0,0,0,0,0,1|2,0,1]=4 1274 B8R1.4 CC1=NC(=O)CCC1 Amb28239945 [0,0,0,0,0,1|2,0,0]=3 1275 B8R1.4 CC1=NCCC(N)=N1 Amb27455523 [0,0,0,0,0,1|3,0,0]=4 1276 B8R1.4 CC1CC(=O)CCN1 Amb1087926 [0,0,0,0,0,1|2,0,1]=4 1277 B8R1.4 CC1CC(=O)CCN1 Amb19515809 [0,0,0,0,0,1|2,0,1]=4 1278 B8R1.4 CC1CC(=O)CCN1 Amb30585094 [0,0,0,0,0,1|2,0,1]=4 1279 B8R1.4 CC1CC(=O)CCO1 Amb18833037 [0,0,0,0,0,1|2,0,1]=4 1280 B8R1.4 CC1CC(=O)CCS1 Amb27256424 [0,0,0,0,0,1|2,0,1]=4 1281 B8R1.4 CC1CC=CC(=O)O1 Amb22173905 [0,0,0,0,0,1|1,0,2]=4 1282 B8R1.4 CC1CCCC(=O)C1 Amb1151295 [0,0,0,0,0,1|2,0,1]=4 1283 B8R1.4 CC1CCCC(=O)N1 Amb22372271 [0,0,0,0,0,1|2,0,1]=4 1284 B8R1.4 CC1CCCC(=O)O1 Amb19405726 [0,0,0,0,0,1|1,0,1]=3 1285 B8R1.4 CC1CCNC(=O)C1 Amb20668125 [0,0,0,0,0,1|2,0,1]=4 1286 B8R1.4 CC1CCNC(=O)N1 Amb27193730 [0,0,0,0,0,1|2,0,1]=4 1287 B8R1.4 CC1CCOC(=O)N1 Amb27655650 [0,0,0,0,0,1|2,0,1]=4 1288 B8R1.4 CC1CCOC(=O)O1 Amb33714707 [0,0,0,0,0,1|1,0,1]=3 1289 B8R1.4 CC1CCOS(=O)O1 Amb4010773 [0,0,0,0,0,1|2,0,1]=4 1290 B8R1.4 CC1CNCC(=O)C1 Amb26048394 [0,0,0,0,0,1|2,0,1]=4 1291 B8R1.4 CC1CNCC(=O)C1 Amb33494302 [0,0,0,0,0,1|2,0,1]=4 1292 B8R1.4 CC1CNCC(=O)N1 Amb22587525 [0,0,0,0,0,1|2,0,1]=4 1293 B8R1.4 CC1CNCC(=O)N1 Amb32410668 [0,0,0,0,0,1|2,0,1]=4 1294 B8R1.4 CC1COCC(=O)N1 Amb10608100 [0,0,0,0,0,1|2,0,1]=4 1295 B8R1.4 CC1NCCC(=O)N1 Amb32418334 [0,0,0,0,0,1|2,0,1]=4 1296 B8R1.4 CN1CCCC(=O)C1 Amb10602467 [0,0,0,0,0,1|3,0,0]=4 1297 B8R1.4 CN1CCCC(=O)C1 Amb22304741 [0,0,0,0,0,1|3,0,0]=4 1298 B8R1.4 CN1CCCC(=O)C1 Amb31204623 [0,0,0,0,0,1|3,0,0]=4 1299 B8R1.4 CN1CCNC(=O)C1 Amb19958159 [0,0,0,0,0,1|3,0,0]=4 1300 B8R1.4 CN1CCOC(=O)C1 Amb21963307 [0,0,0,0,0,1|3,0,0]=4 1301 B8R1.4 CN1CCOC(=O)C1 Amb22491652 [0,0,0,0,0,1|3,0,0]=4 1302 B8R1.4 C[C@@H]1CC(=O)CCN1 Amb22748911 [0,0,0,0,0,1|2,0,1]=4 1303 B8R1.4 C[C@@H]1CC(=O)CCN1 Amb23439312 [0,0,0,0,0,1|2,0,1]=4 1304 B8R1.4 C[C@@H]1CC(=O)CCN1 Amb27593729 [0,0,0,0,0,1|2,0,1]=4 1305 B8R1.4 C[C@@H]1CC(=O)CCO1 Amb23440042 [0,0,0,0,0,1|2,0,1]=4 1306 B8R1.4 C[C@@H]1CCCC(=O)C1 Amb21618704 [0,0,0,0,0,1|2,0,1]=4 1307 B8R1.4 C[C@@H]1CCCC(=O)N1 Amb25772093 [0,0,0,0,0,1|2,0,1]=4 1308 B8R1.4 C[C@@H]1CCCC(=O)O1 Amb4166295 [0,0,0,0,0,1|1,0,1]=3 1309 B8R1.4 C[C@@H]1CNCC(=O)N1 Amb22504491 [0,0,0,0,0,1|2,0,1]=4 1310 B8R1.4 C[C@@H]1CNCC(=O)N1 Amb22748720 [0,0,0,0,0,1|2,0,1]=4 1311 B8R1.4 C[C@@H]1COCC(=O)N1 Amb15693112 [0,0,0,0,0,1|2,0,1]=4 1312 B8R1.4 C[C@H]1CC(=O)CCN1 Amb22406027 [0,0,0,0,0,1|2,0,1]=4 1313 B8R1.4 C[C@H]1CC(=O)CCN1 Amb28072876 [0,0,0,0,0,1|2,0,1]=4 1314 B8R1.4 C[C@H]1CC(=O)CCN1 Amb33801725 [0,0,0,0,0,1|2,0,1]=4 1315 B8R1.4 C[C@H]1CC(=O)CCO1 Amb27969730 [0,0,0,0,0,1|2,0,1]=4 1316 B8R1.4 C[C@H]1CC=CC(=O)O1 Amb24584842 [0,0,0,0,0,1|1,0,2]=4 1317 B8R1.4 C[C@H]1CCCC(=O)C1 Amb22799724 [0,0,0,0,0,1|2,0,1]=4 1318 B8R1.4 C[C@H]1CCCC(=O)O1 Amb26865751 [0,0,0,0,0,1|1,0,1]=3 1319 B8R1.4 C[C@H]1CCNC(=O)C1 Amb25739591 [0,0,0,0,0,1|2,0,1]=4 1320 B8R1.4 C[C@H]1CNCC(=O)N1 Amb22304821 [0,0,0,0,0,1|2,0,1]=4 1321 B8R1.4 C[C@H]1CNCC(=O)N1 Amb23385344 [0,0,0,0,0,1|2,0,1]=4 1322 B8R1.4 C[C@H]1COCC(=O)N1 Amb22232054 [0,0,0,0,0,1|2,0,1]=4 1323 B8R1.4 N=C1CCSC(=O)N1 Amb28434696 [0,0,0,0,0,1|2,0,0]=3 1324 B8R1.4 N=C1NC(=O)CCS1 Amb24666714 [0,0,0,0,0,1|2,0,0]=3 1325 B8R1.4 N=C1NNCC(=O)N1 Amb27227984 [0,0,0,0,0,1|3,0,0]=4 1326 B8R1.4 NC1=CC(=O)CCC1 Amb1151335 [0,0,0,0,0,1|2,0,0]=3 1327 B8R1.4 NC1=CC(=O)COC1 Amb25785409 [0,0,0,0,0,1|2,0,0]=3 1328 B8R1.4 NC1=CC(=O)CSC1 Amb28066865 [0,0,0,0,0,1|2,0,0]=3 1329 B8R1.4 NC1=CC(=O)NCC1 Amb22229455 [0,0,0,0,0,1|2,0,0]=3 1330 B8R1.4 NC1=CC(=S)CCC1 Amb27839581 [0,0,0,0,0,1|2,1,0]=4 1331 B8R1.4 NC1=CCNC(=O)N1 Amb25799600 [0,0,0,0,0,1|2,0,1]=4 1332 B8R1.4 NC1=NOCC(=O)N1 Amb27786326 [0,0,0,0,0,1|3,0,0]=4 1333 B8R1.4 NC1CCCC(=O)C1 Amb23440459 [0,0,0,0,0,1|2,0,1]=4 1334 B8R1.4 NC1CCCC(=O)C1 Amb8387391 [0,0,0,0,0,1|2,0,1]=4 1335 B8R1.4 NC1CCNC(=O)C1 Amb10067177 [0,0,0,0,0,1|2,0,1]=4 1336 B8R1.4 NC1CCNC(=O)C1 Amb19957631 [0,0,0,0,0,1|2,0,1]=4 1337 B8R1.4 NC1CCNC(=O)C1 Amb21960626 [0,0,0,0,0,1|2,0,1]=4 1338 B8R1.4 NC1COCC(=O)C1 Amb33623050 [0,0,0,0,0,1|2,0,1]=4 1339 B8R1.4 NC1COCC(=O)C1 Amb33716160 [0,0,0,0,0,1|2,0,1]=4 1340 B8R1.4 N[C@@H]1CCNC(=O)C1 Amb27489147 [0,0,0,0,0,1|2,0,1]=4 1341 B8R1.4 N[C@H]1CCNC(=O)C1 Amb25168718 [0,0,0,0,0,1|2,0,1]=4 1342 B8R1.4 O=C1C=C(Br)CCC1 Amb33542768 [0,0,0,0,0,1|2,0,0]=3 1343 B8R1.4 O=C1C=C(Br)CCN1 Amb23402186 [0,0,0,0,0,1|2,0,0]=3 1344 B8R1.4 O=C1C=C(Br)N=CC1 Amb23401280 [0,0,0,0,0,1|2,0,1]=4 1345 B8R1.4 O=C1C=C(Cl)CCC1 Amb2697044 [0,0,0,0,0,1|2,0,0]=3 1346 B8R1.4 O=C1C=C(Cl)N=CC1 Amb22500053 [0,0,0,0,0,1|2,0,1]=4 1347 B8R1.4 O=C1C=C(I)CCC1 Amb25706767 [0,0,0,0,0,1|2,0,0]=3 1348 B8R1.4 O=C1C=C(O)CCC1 Amb17844413 [0,0,0,0,0,1|1,0,1]=3 1349 B8R1.4 O=C1C=C(O)COC1 Amb28048998 [0,0,0,0,0,1|1,0,1]=3 1350 B8R1.4 O=C1C=C=CC(=O)C1 Amb27486115 [0,0,0,0,0,1|1,0,2]=4 1351 B8R1.4 O=C1C=CC=C(Cl)O1 Amb22337145 [0,0,0,0,0,1|1,0,2]=4 1352 B8R1.4 O=C1C=CCC(=O)O1 Amb453190 [0,0,0,0,0,1|0,0,1]=2 1353 B8R1.4 O=C1C=CNC(=O)N1 Amb18028577 [0,0,0,0,0,1|1,0,2]=4 1354 B8R1.4 O=C1C=CNC(=O)O1 Amb21937546 [0,0,0,0,0,1|0,0,2]=3 1355 B8R1.4 O=C1C=COC(=O)C1 Amb25358147 [0,0,0,0,0,1|1,0,2]=4 1356 B8R1.4 O=C1C=NNC(=O)N1 Amb19405221 [0,0,0,0,0,1|2,0,1]=4 1357 B8R1.4 O=C1C=[N+]([O-])CCC1 Amb27751417 [0,0,0,0,0,1|2,0,1]=4 1358 B8R1.4 O=C1CC(=O)NC=N1 Amb2542511 [0,0,0,0,0,1|2,0,1]=4 1359 B8R1.4 O=C1CC(=O)NCN1 Amb27949946 [0,0,0,0,0,1|2,0,0]=3 1360 B8R1.4 O=C1CC(F)CCN1 Amb27459538 [0,0,0,0,0,1|2,0,1]=4 1361 B8R1.4 O=C1CC(O)CCN1 Amb10602744 [0,0,0,0,0,1|1,0,2]=4 1362 B8R1.4 O=C1CC=CC(Cl)=N1 Amb2609501 [0,0,0,0,0,1|2,0,1]=4 1363 B8R1.4 O=C1CCCC(=O)C1 Amb932798 [0,0,0,0,0,1|1,0,0]=2 1364 B8R1.4 O=C1CCCC(=O)N1 Amb8386485 [0,0,0,0,0,1|1,0,0]=2 1365 B8R1.4 O=C1CCCC(=O)O1 Amb6608952 [0,0,0,0,0,1|0,0,0]=1 1366 B8R1.4 O=C1CCCC(=O)S1 Amb27849467 [0,0,0,0,0,1|0,1,0]=2 1367 B8R1.4 O=C1CCCC(Br)C1 Amb27850962 [0,0,0,0,0,1|2,0,1]=4 1368 B8R1.4 O=C1CCCC(Cl)C1 Amb26946112 [0,0,0,0,0,1|2,0,1]=4 1369 B8R1.4 O=C1CCCC(Cl)N1 Amb28423467 [0,0,0,0,0,1|2,0,1]=4 1370 B8R1.4 O=C1CCCC(F)C1 Amb24578309 [0,0,0,0,0,1|2,0,1]=4 1371 B8R1.4 O=C1CCCC(I)C1 Amb24436778 [0,0,0,0,0,1|2,0,1]=4 1372 B8R1.4 O=C1CCCC(O)C1 Amb22754759 [0,0,0,0,0,1|1,0,2]=4 1373 B8R1.4 O=C1CCCC(O)N1 Amb26394230 [0,0,0,0,0,1|1,0,2]=4 1374 B8R1.4 O=C1CCC[C@@H](O)C1 Amb25320136 [0,0,0,0,0,1|1,0,2]=4 1375 B8R1.4 O=C1CCC[C@H](O)C1 Amb27432456 [0,0,0,0,0,1|1,0,2]=4 1376 B8R1.4 O=C1CCNC(=O)C1 Amb10602544 [0,0,0,0,0,1|1,0,0]=2 1377 B8R1.4 O=C1CCNC(=O)N1 Amb1042477 [0,0,0,0,0,1|1,0,0]=2 1378 B8R1.4 O=C1CCNC(=O)O1 Amb22011553 [0,0,0,0,0,1|0,0,0]=1 1379 B8R1.4 O=C1CCNC(=O)S1 Amb27786235 [0,0,0,0,0,1|0,1,0]=2 1380 B8R1.4 O=C1CCOC(=O)C1 Amb26459895 [0,0,0,0,0,1|1,0,0]=2 1381 B8R1.4 O=C1CCSC(=O)N1 Amb1150323 [0,0,0,0,0,1|1,0,0]=2 1382 B8R1.4 O=C1CNCC(=O)C1 Amb26464137 [0,0,0,0,0,1|1,0,0]=2 1383 B8R1.4 O=C1CNCC(=O)N1 Amb18641768 [0,0,0,0,0,1|1,0,0]=2 1384 B8R1.4 O=C1CNCC(=O)N1 Amb19148314 [0,0,0,0,0,1|1,0,0]=2 1385 B8R1.4 O=C1CNCC(=O)S1 Amb27390859 [0,0,0,0,0,1|0,1,0]=2 1386 B8R1.4 O=C1CNNC(=S)N1 Amb27468600 [0,0,0,0,0,1|2,1,0]=4 1387 B8R1.4 O=C1COCC(=O)C1 Amb8392404 [0,0,0,0,0,1|1,0,0]=2 1388 B8R1.4 O=C1COCC(=O)N1 Amb10808497 [0,0,0,0,0,1|1,0,0]=2 1389 B8R1.4 O=C1COCC(=O)O1 Amb1214326 [0,0,0,0,0,1|0,0,0]=1 1390 B8R1.4 O=C1CS(=O)CCN1 Amb27184590 [0,0,0,0,0,1|2,0,0]=3 1391 B8R1.4 O=C1CSCC(=O)C1 Amb2499999 [0,0,0,0,0,1|1,0,0]=2 1392 B8R1.4 O=C1CSCC(=O)N1 Amb7173003 [0,0,0,0,0,1|1,0,0]=2 1393 B8R1.4 O=C1CSCC(=O)O1 Amb2725405 [0,0,0,0,0,1|0,0,0]=1 1394 B8R1.4 O=C1C[C@@H](O)CCN1 Amb22744924 [0,0,0,0,0,1|1,0,2]=4 1395 B8R1.4 O=C1C[C@H](O)CCN1 Amb17845212 [0,0,0,0,0,1|1,0,2]=4 1396 B8R1.4 O=C1N=CCC(=S)N1 Amb22015328 [0,0,0,0,0,1|1,1,1]=4 1397 B8R1.4 O=C1N=CNC(=O)N1 Amb19130608 [0,0,0,0,0,1|2,0,1]=4 1398 B8R1.4 O=C1NC(=S)CCS1 Amb2470197 [0,0,0,0,0,1|1,1,0]=3 1399 B8R1.4 O=C1NC(S)=CCS1 Amb27816433 [0,0,0,0,0,1|1,1,1]=4 1400 B8R1.4 O=C1NCNC(=O)N1 Amb4010672 [0,0,0,0,0,1|2,0,0]=3 1401 B8R1.4 O=S1CCCS(=O)C1 Amb22363746 [0,0,0,0,0,1|3,0,0]=4 1402 B8R1.4 S=C1CCSC(=S)N1 Amb1054209 [0,0,0,0,0,1|1,2,0]=4 1403 B5R0.1 C#CCC(=O)O Amb33532662 [1,0,1,0,0,0|0,0,2]=4 1404 B5R0.1 C=C(C)CC=O Amb28202583 [1,0,1,0,0,0|2,0,0]=4 1405 B5R0.1 C=C(C)OCC Amb8393241 [1,0,1,0,0,0|1,0,1]=4 1406 B5R0.1 C=CCC(=O)Cl Amb33543701 [1,0,1,0,0,0|1,0,1]=4 1407 B5R0.1 C=CCC(=O)O Amb3940098 [1,0,1,0,0,0|0,0,1]=3 1408 B5R0.1 C=CCC(C)=O Amb8396482 [1,0,1,0,0,0|1,0,1]=4 1409 B5R0.1 C=CCC(N)=O Amb17610156 [1,0,1,0,0,0|1,0,1]=4 1410 B5R0.1 C=CCS(=O)O Amb33534190 [1,0,1,0,0,0|1,0,1]=4 1411 B5R0.1 C=CC[PH](=O)O Amb8391287 [1,0,1,0,0,0|1,0,1]=4 1412 B5R0.1 C=CNC(C)=O Amb24323579 [1,0,1,0,0,0|1,0,1]=4 1413 B5R0.1 C=COC(=O)Cl Amb8514993 [1,0,1,0,0,0|1,0,1]=4 1414 B5R0.1 C=COC(C)=O Amb8513382 [1,0,1,0,0,0|0,0,1]=3 1415 B5R0.1 C=NCC(N)=O Amb26548445 [1,0,1,0,0,0|2,0,0]=4 1416 B5R0.1 CC#CC(C)=O Amb17593016 [1,0,1,0,0,0|1,0,1]=4 1417 B5R0.1 CC(=O)C=C=O Amb10603952 [1,0,1,0,0,0|1,0,1]=4 1418 B5R0.1 CC(=O)CC=N Amb28285098 [1,0,1,0,0,0|2,0,0]=4 1419 B5R0.1 CC(=O)CCBr Amb24078246 [1,0,1,0,0,0|2,0,0]=4 1420 B5R0.1 CC(=O)CCCl Amb2720823 [1,0,1,0,0,0|2,0,0]=4 1421 B5R0.1 CC(=O)CCF Amb26427773 [1,0,1,0,0,0|2,0,0]=4 1422 B5R0.1 CC(=O)CCN Amb18632933 [1,0,1,0,0,0|2,0,0]=4 1423 B5R0.1 CC(=O)CCN Amb33544540 [1,0,1,0,0,0|2,0,0]=4 1424 B5R0.1 CC(=O)CCO Amb836357 [1,0,1,0,0,0|1,0,1]=4 1425 B5R0.1 CC(=O)CC[NH3+] Amb17205167 [1,0,1,0,0,0|2,0,0]=4 1426 B5R0.1 CC(=O)N=C=O Amb17231800 [1,0,1,0,0,0|1,0,1]=4 1427 B5R0.1 CC(=O)N=S=O Amb9786964 [1,0,1,0,0,0|2,0,0]=4 1428 B5R0.1 CC(=O)NC=O Amb27850191 [1,0,1,0,0,0|1,0,0]=3 1429 B5R0.1 CC(=O)OC=O Amb25283525 [1,0,1,0,0,0|0,0,0]=2 1430 B5R0.1 CC(=O)OCBr Amb3941481 [1,0,1,0,0,0|1,0,1]=4 1431 B5R0.1 CC(=O)OCCl Amb33542858 [1,0,1,0,0,0|1,0,1]=4 1432 B5R0.1 CC(=O)OCI Amb25226851 [1,0,1,0,0,0|1,0,1]=4 1433 B5R0.1 CC(=O)\C=C/N Amb25147403 [1,0,1,0,0,0|2,0,0]=4 1434 B5R0.1 CC(=O)\C=C/[O-] Amb30876865 [1,0,1,0,0,0|1,0,1]=4 1435 B5R0.1 CC(=O)\C=C\Cl Amb17593099 [1,0,1,0,0,0|2,0,0]=4 1436 B5R0.1 CC(=O)\C=C\N Amb8395283 [1,0,1,0,0,0|2,0,0]=4 1437 B5R0.1 CC(=O)\C=C\[O-] Amb32644521 [1,0,1,0,0,0|1,0,1]=4 1438 B5R0.1 CC(C)=CC=O Amb8385061 [1,0,1,0,0,0|2,0,0]=4 1439 B5R0.1 CC(C)OC=O Amb9787311 [1,0,1,0,0,0|1,0,1]=4 1440 B5R0.1 CC(O)CC=O Amb4036424 [1,0,1,0,0,0|1,0,1]=4 1441 B5R0.1 CCCC(=O)Br Amb22734023 [1,0,1,0,0,0|1,0,1]=4 1442 B5R0.1 CCCC(=O)Cl Amb2792903 [1,0,1,0,0,0|1,0,1]=4 1443 B5R0.1 CCCC(=O)O Amb3939012 [1,0,1,0,0,0|0,0,1]=3 1444 B5R0.1 CCCC(=O)[O-] Amb8514901 [1,0,1,0,0,0|0,0,2]=4 1445 B5R0.1 CCCC(C)=O Amb6608910 [1,0,1,0,0,0|1,0,1]=4 1446 B5R0.1 CCCC(N)=O Amb3886524 [1,0,1,0,0,0|1,0,1]=4 1447 B5R0.1 CCCC(O)=S Amb22229383 [1,0,1,0,0,0|0,1,1]=4 1448 B5R0.1 CCNC(C)=O Amb2780415 [1,0,1,0,0,0|1,0,1]=4 1449 B5R0.1 CCOC(=O)Cl Amb2793045 [1,0,1,0,0,0|1,0,1]=4 1450 B5R0.1 CCOC(=O)O Amb8393208 [1,0,1,0,0,0|1,0,1]=4 1451 B5R0.1 CCOC(C)=N Amb8394853 [1,0,1,0,0,0|1,0,1]=4 1452 B5R0.1 CCOC(C)=N Amb8514666 [1,0,1,0,0,0|1,0,1]=4 1453 B5R0.1 CCOC(C)=O Amb3940488 [1,0,1,0,0,0|0,0,1]=3 1454 B5R0.1 CCOC(C)=S Amb22047276 [1,0,1,0,0,0|0,1,1]=4 1455 B5R0.1 CCOC(N)=O Amb6608672 [1,0,1,0,0,0|1,0,1]=4 1456 B5R0.1 CNCC(=O)O Amb6298808 [1,0,1,0,0,0|1,0,1]=4 1457 B5R0.1 CNCC(=O)O Amb6599996 [1,0,1,0,0,0|1,0,1]=4 1458 B5R0.1 CNCC(C)=O Amb17621974 [1,0,1,0,0,0|2,0,0]=4 1459 B5R0.1 CNCC(C)=O Amb21959975 [1,0,1,0,0,0|2,0,0]=4 1460 B5R0.1 CNOC(N)=O Amb28341734 [1,0,1,0,0,0|2,0,0]=4 1461 B5R0.1 COCC(=O)O Amb3939876 [1,0,1,0,0,0|1,0,1]=4 1462 B5R0.1 COCC(C)=O Amb8513767 [1,0,1,0,0,0|2,0,0]=4 1463 B5R0.1 CONC(C)=O Amb25046114 [1,0,1,0,0,0|2,0,0]=4 1464 B5R0.1 CSCC(=O)O Amb1152425 [1,0,1,0,0,0|1,0,1]=4 1465 B5R0.1 CSCC(C)=O Amb20621731 [1,0,1,0,0,0|2,0,0]=4 1466 B5R0.1 CSNC(C)=O Amb22500292 [1,0,1,0,0,0|2,0,0]=4 1467 B5R0.1 C[C@H](O)CC=O Amb27595676 [1,0,1,0,0,0|1,0,1]=4 1468 B5R0.1 C\C(Br)=C/C=O Amb27202112 [1,0,1,0,0,0|2,0,0]=4 1469 B5R0.1 C\C(Br)=C\C=O Amb27201671 [1,0,1,0,0,0|2,0,0]=4 1470 B5R0.1 C\C(N)=C/C=O Amb2612039 [1,0,1,0,0,0|2,0,0]=4 1471 B5R0.1 C\C=C/C(=O)O Amb27779315 [1,0,1,0,0,0|1,0,1]=4 1472 B5R0.1 C\C=C/C(C)=O Amb28351405 [1,0,1,0,0,0|1,0,0]=3 1473 B5R0.1 C\C=C\C(=O)Br Amb25026006 [1,0,1,0,0,0|2,0,0]=4 1474 B5R0.1 C\C=C\C(=O)Cl Amb8517577 [1,0,1,0,0,0|2,0,0]=4 1475 B5R0.1 C\C=C\C(=O)O Amb8385856 [1,0,1,0,0,0|1,0,1]=4 1476 B5R0.1 C\C=C\C(C)=O Amb33941980 [1,0,1,0,0,0|1,0,0]=3 1477 B5R0.1 C\C=C\C(N)=O Amb4025906 [1,0,1,0,0,0|2,0,0]=4 1478 B5R0.1 C\C=N\S(C)=O Amb35718869 [1,0,1,0,0,0|2,0,0]=4 1479 B5R0.1 N#CCC(=O)O Amb2609022 [1,0,1,0,0,0|1,0,1]=4 1480 B5R0.1 NC(=O)CC=O Amb25777522 [1,0,1,0,0,0|1,0,0]=3 1481 B5R0.1 NC(=O)CCBr Amb21618712 [1,0,1,0,0,0|2,0,0]=4 1482 B5R0.1 NC(=O)CCCl Amb1127569 [1,0,1,0,0,0|2,0,0]=4 1483 B5R0.1 NC(=O)CCF Amb28289353 [1,0,1,0,0,0|2,0,0]=4 1484 B5R0.1 NC(=O)CCI Amb27966778 [1,0,1,0,0,0|2,0,0]=4 1485 B5R0.1 NC(=O)CCO Amb9421407 [1,0,1,0,0,0|1,0,1]=4 1486 B5R0.1 NC(=O)CCS Amb27154802 [1,0,1,0,0,0|1,1,0]=4 1487 B5R0.1 NC(=O)NC=O Amb8514974 [1,0,1,0,0,0|2,0,0]=4 1488 B5R0.1 NCCC(=O)Cl Amb24117140 [1,0,1,0,0,0|2,0,0]=4 1489 B5R0.1 NCCC(=O)O Amb1935127 [1,0,1,0,0,0|1,0,0]=3 1490 B5R0.1 NCCC(=O)[O-] Amb28991330 [1,0,1,0,0,0|1,0,1]=4 1491 B5R0.1 NCCC(N)=O Amb1137251 [1,0,1,0,0,0|2,0,0]=4 1492 B5R0.1 NCCC(N)=O Amb9147573 [1,0,1,0,0,0|2,0,0]=4 1493 B5R0.1 NCCS(=O)O Amb6600043 [1,0,1,0,0,0|2,0,0]=4 1494 B5R0.1 NCC[PH](=O)O Amb22168066 [1,0,1,0,0,0|2,0,0]=4 1495 B5R0.1 NCC[PH](=O)O Amb35788864 [1,0,1,0,0,0|2,0,0]=4 1496 B5R0.1 NNCC(=O)O Amb32751165 [1,0,1,0,0,0|2,0,0]=4 1497 B5R0.1 NNCC(=O)O Amb6740299 [1,0,1,0,0,0|2,0,0]=4 1498 B5R0.1 NOCC(=O)O Amb1154237 [1,0,1,0,0,0|2,0,0]=4 1499 B5R0.1 NOCC(=O)O Amb4324355 [1,0,1,0,0,0|2,0,0]=4 1500 B5R0.1 NOCC(=O)O Amb8513076 [1,0,1,0,0,0|2,0,0]=4 1501 B5R0.1 N\C=C\C(=O)O Amb27217920 [1,0,1,0,0,0|1,0,1]=4 1502 B5R0.1 O=C(Br)CCBr Amb24624022 [1,0,1,0,0,0|2,0,0]=4 1503 B5R0.1 O=C(Cl)CCBr Amb3941484 [1,0,1,0,0,0|2,0,0]=4 1504 B5R0.1 O=C(Cl)CCCl Amb3939313 [1,0,1,0,0,0|2,0,0]=4 1505 B5R0.1 O=C(Cl)CCF Amb27148631 [1,0,1,0,0,0|2,0,0]=4 1506 B5R0.1 O=C(Cl)CCI Amb28454579 [1,0,1,0,0,0|2,0,0]=4 1507 B5R0.1 O=C(Cl)CCO Amb27270014 [1,0,1,0,0,0|1,0,1]=4 1508 B5R0.1 O=C(F)CCCl Amb27257545 [1,0,1,0,0,0|2,0,0]=4 1509 B5R0.1 O=C(O)CCBr Amb2685479 [1,0,1,0,0,0|1,0,0]=3 1510 B5R0.1 O=C(O)CCCl Amb5395408 [1,0,1,0,0,0|1,0,0]=3 1511 B5R0.1 O=C(O)CCF Amb10603694 [1,0,1,0,0,0|1,0,0]=3 1512 B5R0.1 O=C(O)CCI Amb2688882 [1,0,1,0,0,0|1,0,0]=3 1513 B5R0.1 O=C(O)CCO Amb2688785 [1,0,1,0,0,0|0,0,1]=3 1514 B5R0.1 O=C(O)CCS Amb6608916 [1,0,1,0,0,0|0,1,0]=3 1515 B5R0.1 O=C(O)CNO Amb24120360 [1,0,1,0,0,0|1,0,1]=4 1516 B5R0.1 O=C(O)\C=C/Br Amb18644453 [1,0,1,0,0,0|1,0,1]=4 1517 B5R0.1 O=C(O)\C=C/Cl Amb8513768 [1,0,1,0,0,0|1,0,1]=4 1518 B5R0.1 O=C(O)\C=C/I Amb28315824 [1,0,1,0,0,0|1,0,1]=4 1519 B5R0.1 O=C(O)\C=C\Br Amb27423608 [1,0,1,0,0,0|1,0,1]=4 1520 B5R0.1 O=C(O)\C=C\Cl Amb33986098 [1,0,1,0,0,0|1,0,1]=4 1521 B5R0.1 O=C(O)\C=C\I Amb30584673 [1,0,1,0,0,0|1,0,1]=4 1522 B5R0.1 O=C(O)\C=C\O Amb26055842 [1,0,1,0,0,0|0,0,2]=4 1523 B5R0.1 O=C(O)\C=C\S Amb28401590 [1,0,1,0,0,0|0,1,1]=4 1524 B5R0.1 O=C(S)CCCl Amb27461454 [1,0,1,0,0,0|1,1,0]=4 1525 B5R0.1 O=C([O-])CCO Amb22055495 [1,0,1,0,0,0|0,0,2]=4 1526 B5R0.1 O=CCB(O)O Amb27449470 [1,0,1,0,0,0|1,0,1]=4 1527 B5R0.1 O=CCC(=O)O Amb22169407 [1,0,1,0,0,0|0,0,0]=2 1528 B5R0.1 O=CCC(=O)[Na] Amb27949540 [1,0,1,0,0,0|1,0,0]=3 1529 B5R0.1 O=CC[N+](=O)[O-] Amb28049659 [1,0,1,0,0,0|1,0,1]=4 1530 B5R0.1 O=S(O)CCO Amb25937057 [1,0,1,0,0,0|1,0,1]=4 1531 B5R0.2 C#CCCC=O Amb28049678 [1,0,1,0,0,0|1,0,1]=4 1532 B5R0.2 C=CCCC=C Amb8513514 [1,0,1,0,0,0|2,0,0]=4 1533 B5R0.2 C=CCCC=O Amb4358616 [1,0,1,0,0,0|1,0,0]=3 1534 B5R0.2 C=CCCCO Amb8513439 [1,0,1,0,0,0|1,0,1]=4 1535 B5R0.2 C=CCNC=O Amb2781857 [1,0,1,0,0,0|2,0,0]=4 1536 B5R0.2 C=COCCC Amb17940706 [1,0,1,0,0,0|1,0,1]=4 1537 B5R0.2 C=C\C=C\CC Amb8513434 [1,0,1,0,0,0|2,0,0]=4 1538 B5R0.2 CCC#CC=O Amb25663194 [1,0,1,0,0,0|1,0,1]=4 1539 B5R0.2 CCC=C=CBr Amb27194333 [1,0,1,0,0,0|2,0,0]=4 1540 B5R0.2 CCCCC=O Amb3939655 [1,0,1,0,0,0|1,0,1]=4 1541 B5R0.2 CCSCC=O Amb17940620 [1,0,1,0,0,0|2,0,0]=4 1542 B5R0.2 CC\C=C\C=O Amb33986391 [1,0,1,0,0,0|1,0,0]=3 1543 B5R0.2 CN\C=C\C=O Amb24564349 [1,0,1,0,0,0|2,0,0]=4 1544 B5R0.2 COCCC=O Amb10602324 [1,0,1,0,0,0|2,0,0]=4 1545 B5R0.2 CO\C=C/C=O Amb28049941 [1,0,1,0,0,0|2,0,0]=4 1546 B5R0.2 CO\C=C\C=O Amb26873964 [1,0,1,0,0,0|2,0,0]=4 1547 B5R0.2 CSCCC=O Amb3939952 [1,0,1,0,0,0|2,0,0]=4 1548 B5R0.2 C\C=C\CC=O Amb26655030 [1,0,1,0,0,0|1,0,1]=4 1549 B5R0.2 N#CCCC=O Amb3941009 [1,0,1,0,0,0|1,0,1]=4 1550 B5R0.2 NCCCC=O Amb26851044 [1,0,1,0,0,0|1,0,1]=4 1551 B5R0.2 NCCOC=O Amb24612320 [1,0,1,0,0,0|1,0,1]=4 1552 B5R0.2 O=CCCC=O Amb8395090 [1,0,1,0,0,0|0,0,0]=2 1553 B5R0.2 O=CCCCBr Amb18644189 [1,0,1,0,0,0|1,0,1]=4 1554 B5R0.2 O=CCCCCl Amb8395190 [1,0,1,0,0,0|1,0,1]=4 1555 B5R0.2 O=CCCCF Amb24056028 [1,0,1,0,0,0|1,0,1]=4 1556 B5R0.2 O=CCCCI Amb27249641 [1,0,1,0,0,0|1,0,1]=4 1557 B5R0.2 O=CCCCO Amb24589235 [1,0,1,0,0,0|0,0,1]=3 1558 B5R0.2 O=CCCSS Amb22524519 [1,0,1,0,0,0|1,1,0]=4 1559 B5R0.2 O=CCNC=O Amb26370295 [1,0,1,0,0,0|1,0,0]=3 1560 B5R0.2 O=CC\C=C\Cl Amb24571938 [1,0,1,0,0,0|1,0,1]=4 1561 B5R0.2 O=CNNC=O Amb6298322 [1,0,1,0,0,0|2,0,0]=4 1562 B5R0.2 O=COCCBr Amb27816149 [1,0,1,0,0,0|1,0,1]=4 1563 B5R0.2 O=COCCO Amb26625741 [1,0,1,0,0,0|1,0,1]=4 1564 B5R0.2 O=C\C=C/C=O Amb28146767 [1,0,1,0,0,0|0,0,2]=4 1565 B5R0.2 O=C\C=C\C=O Amb17593019 [1,0,1,0,0,0|0,0,2]=4 1566 B5R0.2 O=C\C=C\CCl Amb18122401 [1,0,1,0,0,0|2,0,0]=4 1567 B5R0.2 O=C\C=C\CF Amb33475269 [1,0,1,0,0,0|2,0,0]=4 1568 B5R0.2 O=C\C=C\CO Amb24356008 [1,0,1,0,0,0|2,0,0]=4 1569 B5R0.3 C#CC(=O)CC Amb25989183 [1,0,1,0,0,0|1,0,1]=4 1570 B5R0.3 C=C(C=O)CC Amb17940102 [1,0,1,0,0,0|1,0,0]=3 1571 B5R0.3 C=C(C=O)OC Amb27863725 [1,0,1,0,0,0|2,0,0]=4 1572 B5R0.3 C=CC(=C)CC Amb28141349 [1,0,1,0,0,0|2,0,0]=4 1573 B5R0.3 C=CC(=O)CBr Amb10602446 [1,0,1,0,0,0|2,0,0]=4 1574 B5R0.3 C=CC(=O)CC Amb3940490 [1,0,1,0,0,0|1,0,0]=3 1575 B5R0.3 C=CC(=O)CCl Amb27211112 [1,0,1,0,0,0|2,0,0]=4 1576 B5R0.3 C=CC(=O)CO Amb28074769 [1,0,1,0,0,0|2,0,0]=4 1577 B5R0.3 C=CC(=O)NC Amb9480402 [1,0,1,0,0,0|2,0,0]=4 1578 B5R0.3 C=CC(=O)OC Amb22351400 [1,0,1,0,0,0|2,0,0]=4 1579 B5R0.3 C=CC(=O)OC Amb2793072 [1,0,1,0,0,0|2,0,0]=4 1580 B5R0.3 CCC(=O)C#N Amb17231799 [1,0,1,0,0,0|1,0,1]=4 1581 B5R0.3 CCC(=O)C=O Amb22228532 [1,0,1,0,0,0|0,0,0]=2 1582 B5R0.3 CCC(=O)CBr Amb2684976 [1,0,1,0,0,0|1,0,1]=4 1583 B5R0.3 CCC(=O)CC Amb4605995 [1,0,1,0,0,0|1,0,1]=4 1584 B5R0.3 CCC(=O)CCl Amb19338105 [1,0,1,0,0,0|1,0,1]=4 1585 B5R0.3 CCC(=O)CF Amb23454809 [1,0,1,0,0,0|1,0,1]=4 1586 B5R0.3 CCC(=O)CN Amb18203134 [1,0,1,0,0,0|1,0,1]=4 1587 B5R0.3 CCC(=O)CN Amb19959206 [1,0,1,0,0,0|1,0,1]=4 1588 B5R0.3 CCC(=O)CO Amb22227965 [1,0,1,0,0,0|0,0,2]=4 1589 B5R0.3 CCC(=O)CO Amb33529428 [1,0,1,0,0,0|0,0,2]=4 1590 B5R0.3 CCC(=O)CS Amb27843254 [1,0,1,0,0,0|0,1,1]=4 1591 B5R0.3 CCC(=O)NN Amb1104708 [1,0,1,0,0,0|2,0,0]=4 1592 B5R0.3 CCC(=O)NO Amb6273963 [1,0,1,0,0,0|1,0,1]=4 1593 B5R0.3 CCC(=O)OC Amb8513418 [1,0,1,0,0,0|0,0,1]=3 1594 B5R0.3 CCC(=S)OC Amb22168046 [1,0,1,0,0,0|0,1,1]=4 1595 B5R0.3 CCC(Br)C=O Amb18124003 [1,0,1,0,0,0|1,0,1]=4 1596 B5R0.3 CCC(C)C=O Amb3939899 [1,0,1,0,0,0|1,0,1]=4 1597 B5R0.3 CCC(Cl)C=O Amb18122610 [1,0,1,0,0,0|1,0,1]=4 1598 B5R0.3 CCN(C)C=O Amb20627285 [1,0,1,0,0,0|2,0,0]=4 1599 B5R0.3 CCN(N)C=O Amb24428031 [1,0,1,0,0,0|2,0,0]=4 1600 B5R0.3 CC[C@@H](C)C=O Amb27759282 [1,0,1,0,0,0|1,0,1]=4 1601 B5R0.3 CC[C@H](C)C=O Amb27837733 [1,0,1,0,0,0|1,0,1]=4 1602 B5R0.3 CC[C@H](N)C=O Amb27460588 [1,0,1,0,0,0|1,0,1]=4 1603 B5R0.3 CC\C(C)=C\Cl Amb27848092 [1,0,1,0,0,0|2,0,0]=4 1604 B5R0.3 CNC(=O)OC Amb16185431 [1,0,1,0,0,0|1,0,1]=4 1605 B5R0.3 COC(=O)C=O Amb29083438 [1,0,1,0,0,0|1,0,0]=3 1606 B5R0.3 COC(=O)C=O Amb8384463 [1,0,1,0,0,0|1,0,0]=3 1607 B5R0.3 COC(=O)CBr Amb3939968 [1,0,1,0,0,0|1,0,1]=4 1608 B5R0.3 COC(=O)CCl Amb2792917 [1,0,1,0,0,0|1,0,1]=4 1609 B5R0.3 COC(=O)CF Amb2689433 [1,0,1,0,0,0|1,0,1]=4 1610 B5R0.3 COC(=O)CI Amb22036593 [1,0,1,0,0,0|1,0,1]=4 1611 B5R0.3 COC(=O)CN Amb1153098 [1,0,1,0,0,0|1,0,1]=4 1612 B5R0.3 COC(=O)CN Amb534106 [1,0,1,0,0,0|1,0,1]=4 1613 B5R0.3 COC(=O)CO Amb2778433 [1,0,1,0,0,0|1,0,1]=4 1614 B5R0.3 COC(=O)CS Amb6608893 [1,0,1,0,0,0|1,0,1]=4 1615 B5R0.3 COC(=O)OC Amb6609028 [1,0,1,0,0,0|1,0,1]=4 1616 B5R0.3 CSC(=O)C=O Amb28284177 [1,0,1,0,0,0|1,0,0]=3 1617 B5R0.3 C\C=C(/Br)C=O Amb24478125 [1,0,1,0,0,0|1,0,1]=4 1618 B5R0.3 C\C=C(/C)C=O Amb30526844 [1,0,1,0,0,0|1,0,1]=4 1619 B5R0.3 C\C=C(/C)CC Amb26540266 [1,0,1,0,0,0|2,0,0]=4 1620 B5R0.3 C\C=C(/Cl)C=O Amb18122386 [1,0,1,0,0,0|1,0,1]=4 1621 B5R0.3 C\C=C(/I)C=O Amb28049947 [1,0,1,0,0,0|1,0,1]=4 1622 B5R0.3 C\C=C(\Br)C=O Amb18124612 [1,0,1,0,0,0|1,0,1]=4 1623 B5R0.3 C\C=C(\C)C=O Amb24333046 [1,0,1,0,0,0|1,0,1]=4 1624 B5R0.3 C\C=C(\C)CC Amb25332651 [1,0,1,0,0,0|2,0,0]=4 1625 B5R0.3 NCC(=O)OBr Amb27983785 [1,0,1,0,0,0|2,0,0]=4 1626 B5R0.3 NCC(=O)OCl Amb27628854 [1,0,1,0,0,0|2,0,0]=4 1627 B5R0.3 NCC(=O)ON Amb27473245 [1,0,1,0,0,0|2,0,0]=4 1628 B5R0.3 O=C(CBr)OBr Amb28454578 [1,0,1,0,0,0|2,0,0]=4 1629 B5R0.3 O=CC(=O)C=O Amb17593025 [1,0,1,0,0,0|1,0,1]=4 1630 B5R0.3 O=CC(=O)CO Amb17593031 [1,0,1,0,0,0|1,0,0]=3 1631 B5R1.1 C1=CCCC1 Amb6608970 [2,0,0,0,0,0|1,0,1]=4 1632 B5R1.1 C1=CNCC1 Amb24476832 [2,0,0,0,0,0|2,0,0]=4 1633 B5R1.1 C1=COCC1 Amb6609005 [2,0,0,0,0,0|0,0,2]=4 1634 B5R1.1 C1=CSCC1 Amb24065325 [2,0,0,0,0,0|2,0,0]=4 1635 B5R1.1 C1=NCCC1 Amb28282781 [2,0,0,0,0,0|1,0,1]=4 1636 B5R1.1 C1=NCCO1 Amb16234259 [2,0,0,0,0,0|1,0,1]=4 1637 B5R1.1 C1=NNCC1 Amb21618957 [2,0,0,0,0,0|2,0,0]=4 1638 B5R1.1 C1CCOC1 Amb2792997 [2,0,0,0,0,0|0,0,2]=4 1639 B5R1.1 C1CNOC1 Amb6365588 [2,0,0,0,0,0|1,0,1]=4 1640 B5R1.1 C1CNOC1 Amb8503363 [2,0,0,0,0,0|1,0,1]=4 1641 B5R1.1 [C-]1=CC=CC1 Amb22231445 [2,0,0,0,0,0|1,0,1]=4 1642 B5R1.1 c1ccoc1 Amb6608834 [2,0,0,0,0,0|0,0,2]=4 1643 B5R1.1 c1cocn1 Amb2608869 [2,0,0,0,0,0|1,0,1]=4 1644 B5R1.1 c1nnco1 Amb10552366 [2,0,0,0,0,0|2,0,0]=4 1645 B7R0.2 C=C(C)CC(=O)CC Amb27600284 [0,1,1,0,0,0|2,0,0]=4 1646 B7R0.2 C=C(CC)CC(=O)O Amb18641782 [0,1,1,0,0,0|2,0,0]=4 1647 B7R0.2 C=C(CC)CC(N)=O Amb27394598 [0,1,1,0,0,0|2,0,0]=4 1648 B7R0.2 C=C(CC)OC(C)=O Amb25202254 [0,1,1,0,0,0|1,0,0]=3 1649 B7R0.2 C=CC(=O)OC(N)=O Amb27863065 [0,1,1,0,0,0|0,0,2]=4 1650 B7R0.2 CC(=O)CC(=O)CO Amb28316150 [0,1,1,0,0,0|2,0,0]=4 1651 B7R0.2 CC(=O)NC(=O)CBr Amb33541733 [0,1,1,0,0,0|2,0,0]=4 1652 B7R0.2 CC(=O)NC(=O)CCl Amb1105796 [0,1,1,0,0,0|2,0,0]=4 1653 B7R0.2 CC(=O)NC(=O)CN Amb24117061 [0,1,1,0,0,0|2,0,0]=4 1654 B7R0.2 CC(=O)OC(=O)CCl Amb27977084 [0,1,1,0,0,0|1,0,0]=3 1655 B7R0.2 CC(=O)OC(=O)CN Amb28240797 [0,1,1,0,0,0|1,0,0]=3 1656 B7R0.2 CCC(=O)C=C(C)C Amb25715052 [0,1,1,0,0,0|2,0,0]=4 1657 B7R0.2 CCC(=O)CC(=O)O Amb18641869 [0,1,1,0,0,0|1,0,0]=3 1658 B7R0.2 CCC(=O)CC(C)=O Amb9775078 [0,1,1,0,0,0|1,0,0]=3 1659 B7R0.2 CCC(=O)CC(N)=O Amb8384375 [0,1,1,0,0,0|1,0,0]=3 1660 B7R0.2 CCC(=O)CS(C)=O Amb27464042 [0,1,1,0,0,0|2,0,0]=4 1661 B7R0.2 CCC(=O)NC(=N)N Amb19148005 [0,1,1,0,0,0|2,0,0]=4 1662 B7R0.2 CCC(=O)NC(C)=O Amb27800787 [0,1,1,0,0,0|1,0,0]=3 1663 B7R0.2 CCC(=O)NC(C)=S Amb28287319 [0,1,1,0,0,0|1,1,0]=4 1664 B7R0.2 CCC(=O)NC(N)=O Amb27643460 [0,1,1,0,0,0|1,0,0]=3 1665 B7R0.2 CCC(=O)NC(N)=S Amb26551125 [0,1,1,0,0,0|1,1,0]=4 1666 B7R0.2 CCC(=O)OC(C)=O Amb21858081 [0,1,1,0,0,0|0,0,0]=2 1667 B7R0.2 CCC(=O)OC(C)Br Amb27455631 [0,1,1,0,0,0|1,0,1]=4 1668 B7R0.2 CCC(=O)OC(C)Cl Amb27477113 [0,1,1,0,0,0|1,0,1]=4 1669 B7R0.2 CCC(=O)O[C@@H](C)N Amb27437862 [0,1,1,0,0,0|1,0,1]=4 1670 B7R0.2 CCC(=O)SC(=N)N Amb27445157 [0,1,1,0,0,0|1,1,0]=4 1671 B7R0.2 CCC(=O)SC(N)=S Amb27839514 [0,1,1,0,0,0|0,2,0]=4 1672 B7R0.2 CCC(=O)\C=C(/C)Br Amb28315626 [0,1,1,0,0,0|2,0,0]=4 1673 B7R0.2 CCC(=O)\C=C(\C)N Amb26526823 [0,1,1,0,0,0|2,0,0]=4 1674 B7R0.2 CCC(C)OC(=O)Cl Amb22168283 [0,1,1,0,0,0|1,0,1]=4 1675 B7R0.2 CCC(Cl)OC(C)=O Amb27392214 [0,1,1,0,0,0|1,0,1]=4 1676 B7R0.2 CCC(O)OC(C)=O Amb28256771 [0,1,1,0,0,0|0,0,2]=4 1677 B7R0.2 CCS(=O)CC(=O)O Amb10608063 [0,1,1,0,0,0|2,0,0]=4 1678 B7R0.2 CCS(=O)CC(C)=O Amb26873160 [0,1,1,0,0,0|2,0,0]=4 1679 B7R0.2 CCS(=O)CC(N)=O Amb27762121 [0,1,1,0,0,0|2,0,0]=4 1680 B7R0.2 CC\C(Br)=C\C(=O)O Amb27409320 [0,1,1,0,0,0|2,0,0]=4 1681 B7R0.2 CC\C(C)=C/C(=O)O Amb18281014 [0,1,1,0,0,0|2,0,0]=4 1682 B7R0.2 CC\C(C)=C/C(C)=O Amb27424977 [0,1,1,0,0,0|2,0,0]=4 1683 B7R0.2 CC\C(C)=C\C(=O)O Amb33528462 [0,1,1,0,0,0|2,0,0]=4 1684 B7R0.2 CC\C(C)=C\C(C)=O Amb27985733 [0,1,1,0,0,0|2,0,0]=4 1685 B7R0.2 CC\C(F)=C/C(=O)O Amb27780201 [0,1,1,0,0,0|2,0,0]=4 1686 B7R0.2 CC\C(N)=C\C(=O)O Amb28145108 [0,1,1,0,0,0|2,0,0]=4 1687 B7R0.2 CC\C(N)=C\C(N)=O Amb27621383 [0,1,1,0,0,0|2,0,0]=4 1688 B7R0.2 CC\C(N)=N\C(C)=O Amb27391863 [0,1,1,0,0,0|2,0,0]=4 1689 B7R0.2 CC\C(O)=C\C(=O)O Amb27837122 [0,1,1,0,0,0|1,0,1]=4 1690 B7R0.2 CC\C(S)=C\C(C)=O Amb27775797 [0,1,1,0,0,0|1,1,0]=4 1691 B7R0.2 CC\C([O-])=C\C(C)=O Amb19960031 [0,1,1,0,0,0|1,0,1]=4 1692 B7R0.2 CNC(=O)CC(=O)O Amb33529761 [0,1,1,0,0,0|2,0,0]=4 1693 B7R0.2 CNC(=O)CC(=O)[O-] Amb35747299 [0,1,1,0,0,0|2,0,0]=4 1694 B7R0.2 CNC(=O)CC(C)=O Amb6891968 [0,1,1,0,0,0|2,0,0]=4 1695 B7R0.2 CNC(=O)NC(C)=O Amb2782874 [0,1,1,0,0,0|2,0,0]=4 1696 B7R0.2 COC(=O)CC(=O)Cl Amb3939073 [0,1,1,0,0,0|2,0,0]=4 1697 B7R0.2 COC(=O)CC(=O)O Amb16232032 [0,1,1,0,0,0|2,0,0]=4 1698 B7R0.2 COC(=O)CC(=O)[O-] Amb2780363 [0,1,1,0,0,0|2,0,0]=4 1699 B7R0.2 COC(=O)CC(=O)[O-] Amb34915950 [0,1,1,0,0,0|2,0,0]=4 1700 B7R0.2 COC(=O)CC(C)=O Amb6608655 [0,1,1,0,0,0|2,0,0]=4 1701 B7R0.2 COC(=O)CC(N)=O Amb22043417 [0,1,1,0,0,0|2,0,0]=4 1702 B7R0.2 CSC(=O)NC(N)=O Amb27878953 [0,1,1,0,0,0|2,0,0]=4 1703 B7R0.2 NC(=O)CC(=O)CCl Amb27797889 [0,1,1,0,0,0|2,0,0]=4 1704 B7R0.2 NC(=O)NC(=O)CBr Amb24104085 [0,1,1,0,0,0|2,0,0]=4 1705 B7R0.2 NC(=O)NC(=O)CCl Amb362395 [0,1,1,0,0,0|2,0,0]=4 1706 B7R0.2 NC(=O)NC(=O)CF Amb27838299 [0,1,1,0,0,0|2,0,0]=4 1707 B7R0.2 NC(=O)NC(=O)CS Amb27390052 [0,1,1,0,0,0|2,0,0]=4 1708 B7R0.2 O=C(Cl)CC(=O)CCl Amb17593874 [0,1,1,0,0,0|2,0,0]=4 1709 B7R0.2 O=C(O)CC(=O)CCl Amb18124484 [0,1,1,0,0,0|2,0,0]=4 1710 B7R0.3 C#CCOC(=O)CC Amb19930205 [0,1,1,0,0,0|1,0,1]=4 1711 B7R0.3 C=C(CC)CCC=O Amb27233336 [0,1,1,0,0,0|2,0,0]=4 1712 B7R0.3 C=CC#CC(=O)CC Amb28315706 [0,1,1,0,0,0|2,0,0]=4 1713 B7R0.3 C=CCCC(=O)CC Amb9031676 [0,1,1,0,0,0|2,0,0]=4 1714 B7R0.3 C=CCOC(=O)CC Amb22050537 [0,1,1,0,0,0|1,0,0]=3 1715 B7R0.3 C=CCOC(=O)CCl Amb8515844 [0,1,1,0,0,0|2,0,0]=4 1716 B7R0.3 C=CCOC(=O)CI Amb26593247 [0,1,1,0,0,0|2,0,0]=4 1717 B7R0.3 C=CCOC(=O)CN Amb18641828 [0,1,1,0,0,0|2,0,0]=4 1718 B7R0.3 C=CCOC(=O)CN Amb33734248 [0,1,1,0,0,0|2,0,0]=4 1719 B7R0.3 C=CCOC(=O)CS Amb27815024 [0,1,1,0,0,0|2,0,0]=4 1720 B7R0.3 C=CCOC(=O)OC Amb8515646 [0,1,1,0,0,0|2,0,0]=4 1721 B7R0.3 C=CCOC(=S)CC Amb22168285 [0,1,1,0,0,0|1,1,0]=4 1722 B7R0.3 C=CCSC(=O)CC Amb22043318 [0,1,1,0,0,0|1,1,0]=4 1723 B7R0.3 CCC(=O)C\C=C\Cl Amb28349318 [0,1,1,0,0,0|2,0,0]=4 1724 B7R0.3 CCC(=O)NCC=O Amb17102054 [0,1,1,0,0,0|1,0,0]=3 1725 B7R0.3 CCC(=O)NNC=O Amb27835377 [0,1,1,0,0,0|1,0,0]=3 1726 B7R0.3 CCC(=O)OCCBr Amb27424669 [0,1,1,0,0,0|1,0,1]=4 1727 B7R0.3 CCC(=O)OCCF Amb27981291 [0,1,1,0,0,0|1,0,1]=4 1728 B7R0.3 CCC(=O)OCCO Amb27217859 [0,1,1,0,0,0|0,0,2]=4 1729 B7R0.3 CCC(=O)\C=C\C=O Amb18641682 [0,1,1,0,0,0|1,0,0]=3 1730 B7R0.3 CCOCC(=O)CC Amb27406475 [0,1,1,0,0,0|1,0,1]=4 1731 B7R0.3 CC\C(C)=N\NC=O Amb28454145 [0,1,1,0,0,0|2,0,0]=4 1732 B7R0.3 CC\C=C\C(=O)CC Amb25283354 [0,1,1,0,0,0|2,0,0]=4 1733 B7R0.3 COC(=O)C#CC=O Amb27441102 [0,1,1,0,0,0|2,0,0]=4 1734 B7R0.3 COC(=O)CCC=O Amb18124259 [0,1,1,0,0,0|2,0,0]=4 1735 B7R0.3 COC(=O)CNC=O Amb22000868 [0,1,1,0,0,0|2,0,0]=4 1736 B7R0.3 COC(=O)NCC=O Amb27839038 [0,1,1,0,0,0|2,0,0]=4 1737 B7R0.3 COC(=O)OCC=O Amb28208420 [0,1,1,0,0,0|1,0,0]=3 1738 B7R0.3 COC(=O)\C=C\C=O Amb18641759 [0,1,1,0,0,0|2,0,0]=4 1739 B7R0.3 C\C=C\OC(=O)CCl Amb8387724 [0,1,1,0,0,0|2,0,0]=4 1740 B7R0.3 O=C(CCl)O\C=C/Cl Amb27453620 [0,1,1,0,0,0|2,0,0]=4 1741 B7R0.3 O=C(CCl)O\C=C\Cl Amb27204913 [0,1,1,0,0,0|2,0,0]=4 1742 B7R0.3 O=CCCC(=O)CO Amb27799816 [0,1,1,0,0,0|2,0,0]=4 1743 B7R0.3 O=C\C=C\C(=O)CO Amb24574003 [0,1,1,0,0,0|2,0,0]=4 1744 B7R0.5 C=CCC(=O)[C@@H](C)N Amb30024575 [0,1,1,0,0,0|2,0,0]=4 1745 B7R0.5 C=CCC(=O)[C@H](C)N Amb35617898 [0,1,1,0,0,0|2,0,0]=4 1746 B7R0.5 C=CNC(=O)C(C)C Amb28252471 [0,1,1,0,0,0|2,0,0]=4 1747 B7R0.5 C=CNC(=O)C(C)O Amb27872694 [0,1,1,0,0,0|2,0,0]=4 1748 B7R0.5 C=COC(=O)C(=C)C Amb22045212 [0,1,1,0,0,0|1,0,1]=4 1749 B7R0.5 C=COC(=O)C(C)C Amb26422505 [0,1,1,0,0,0|1,0,0]=3 1750 B7R0.5 C=COC(=O)C(C)O Amb17593197 [0,1,1,0,0,0|1,0,0]=3 1751 B7R0.5 C=COC(=O)C(Cl)Cl Amb28325682 [0,1,1,0,0,0|2,0,0]=4 1752 B7R0.5 C=COC(=O)N(C)C Amb27811374 [0,1,1,0,0,0|2,0,0]=4 1753 B7R0.5 CC(=O)C(=O)CC=O Amb24524264 [0,1,1,0,0,0|1,0,1]=4 1754 B7R0.5 CC(C)C(=O)CC=O Amb25771325 [0,1,1,0,0,0|1,0,0]=3 1755 B7R0.5 CC(C)C(=O)N=C=O Amb33547669 [0,1,1,0,0,0|1,0,1]=4 1756 B7R0.5 CC(C)C(=O)OCCl Amb22728948 [0,1,1,0,0,0|1,0,1]=4 1757 B7R0.5 CC(C)C(=O)OCI Amb27147082 [0,1,1,0,0,0|1,0,1]=4 1758 B7R0.5 CC(C)C(=O)\C=C\Cl Amb34915330 [0,1,1,0,0,0|2,0,0]=4 1759 B7R0.5 CC(C)C(=O)\C=C\N Amb25083174 [0,1,1,0,0,0|2,0,0]=4 1760 B7R0.5 CC(C)C(=O)\C=C\[O-] Amb27837535 [0,1,1,0,0,0|1,0,1]=4 1761 B7R0.5 CC(C)C(=O)\N=C\S Amb27949045 [0,1,1,0,0,0|1,1,0]=4 1762 B7R0.5 CC(Cl)C(=O)N=C=O Amb18061679 [0,1,1,0,0,0|1,0,1]=4 1763 B7R0.5 CC(Cl)C(=O)OCCl Amb25189028 [0,1,1,0,0,0|1,0,1]=4 1764 B7R0.5 CC(Cl)C(=O)\C=C\Cl Amb17593817 [0,1,1,0,0,0|2,0,0]=4 1765 B7R0.5 CC(Cl)C(C)OC=O Amb28245214 [0,1,1,0,0,0|1,0,1]=4 1766 B7R0.5 CCOC(=O)C(C)Br Amb2687789 [0,1,1,0,0,0|1,0,1]=4 1767 B7R0.5 CCOC(=O)C(C)C Amb3940129 [0,1,1,0,0,0|1,0,1]=4 1768 B7R0.5 CCOC(=O)C(C)Cl Amb3940250 [0,1,1,0,0,0|1,0,1]=4 1769 B7R0.5 CCOC(=O)C(C)F Amb8394610 [0,1,1,0,0,0|1,0,1]=4 1770 B7R0.5 CCOC(=O)C(C)I Amb24325123 [0,1,1,0,0,0|1,0,1]=4 1771 B7R0.5 CCOC(=O)C(C)N Amb2684292 [0,1,1,0,0,0|1,0,1]=4 1772 B7R0.5 CCOC(=O)C(C)N Amb4019258 [0,1,1,0,0,0|1,0,1]=4 1773 B7R0.5 CCOC(=O)C(C)O Amb8517047 [0,1,1,0,0,0|1,0,1]=4 1774 B7R0.5 CCOC(=O)[C@@H](C)F Amb24088350 [0,1,1,0,0,0|1,0,1]=4 1775 B7R0.5 CCOC(=O)[C@@H](C)N Amb27807204 [0,1,1,0,0,0|1,0,1]=4 1776 B7R0.5 CCOC(=O)[C@@H](C)N Amb8395170 [0,1,1,0,0,0|1,0,1]=4 1777 B7R0.5 CCOC(=O)[C@@H](C)O Amb17614096 [0,1,1,0,0,0|1,0,1]=4 1778 B7R0.5 CCOC(=O)[C@H](C)Cl Amb25923024 [0,1,1,0,0,0|1,0,1]=4 1779 B7R0.5 CCOC(=O)[C@H](C)N Amb2725105 [0,1,1,0,0,0|1,0,1]=4 1780 B7R0.5 CCOC(=O)[C@H](C)N Amb3940042 [0,1,1,0,0,0|1,0,1]=4 1781 B7R0.5 CCOC(=O)[C@H](C)O Amb3939669 [0,1,1,0,0,0|1,0,1]=4 1782 B7R0.5 CN(C)C(=O)NC=O Amb27391650 [0,1,1,0,0,0|2,0,0]=4 1783 B7R0.5 C\C(=C/C=O)C(C)C Amb18641697 [0,1,1,0,0,0|2,0,0]=4 1784 B7R0.5 C\C(=C\C=O)C(C)C Amb27872238 [0,1,1,0,0,0|2,0,0]=4 1785 B7R0.5 C\C=C\C(=O)C(C)C Amb25718415 [0,1,1,0,0,0|2,0,0]=4 1786 B7R0.7 C=CCC(=O)COC Amb27168366 [0,1,1,0,0,0|2,0,0]=4 1787 B7R0.7 C=CCC(=O)OC=C Amb27242220 [0,1,1,0,0,0|1,0,1]=4 1788 B7R0.7 C=CCC(=O)OCC Amb17672947 [0,1,1,0,0,0|2,0,0]=4 1789 B7R0.7 C=CNC(=O)NCC Amb27982432 [0,1,1,0,0,0|2,0,0]=4 1790 B7R0.7 C=COC(=O)CCCl Amb28347432 [0,1,1,0,0,0|1,0,0]=3 1791 B7R0.7 C=COC(=O)CCI Amb17934195 [0,1,1,0,0,0|1,0,0]=3 1792 B7R0.7 C=COC(=O)\C=C\C Amb8514531 [0,1,1,0,0,0|1,0,1]=4 1793 B7R0.7 CCCC(=O)CC=N Amb28049020 [0,1,1,0,0,0|2,0,0]=4 1794 B7R0.7 CCCC(=O)N=C=O Amb17231812 [0,1,1,0,0,0|1,0,1]=4 1795 B7R0.7 CCCC(=O)OCBr Amb27659135 [0,1,1,0,0,0|1,0,1]=4 1796 B7R0.7 CCCC(=O)OCC Amb3940136 [0,1,1,0,0,0|1,0,1]=4 1797 B7R0.7 CCCC(=O)OCCl Amb8384806 [0,1,1,0,0,0|1,0,1]=4 1798 B7R0.7 CCCC(=O)\C=C\Cl Amb17593395 [0,1,1,0,0,0|2,0,0]=4 1799 B7R0.7 CCCC(=O)\C=C\N Amb17593176 [0,1,1,0,0,0|2,0,0]=4 1800 B7R0.7 CCC\C(Br)=C/C=O Amb28252419 [0,1,1,0,0,0|2,0,0]=4 1801 B7R0.7 CCC\C(C)=C\C=O Amb27237056 [0,1,1,0,0,0|2,0,0]=4 1802 B7R0.7 CCNC(=O)OCC Amb8517332 [0,1,1,0,0,0|1,0,1]=4 1803 B7R0.7 CCNC(=O)OCCl Amb29884720 [0,1,1,0,0,0|1,0,1]=4 1804 B7R0.7 CCNC(=O)\C=C/Cl Amb28398559 [0,1,1,0,0,0|2,0,0]=4 1805 B7R0.7 CCOC(=O)CC=O Amb8394868 [0,1,1,0,0,0|1,0,0]=3 1806 B7R0.7 CCOC(=O)CCBr Amb3940217 [0,1,1,0,0,0|1,0,1]=4 1807 B7R0.7 CCOC(=O)CCCl Amb3940265 [0,1,1,0,0,0|1,0,1]=4 1808 B7R0.7 CCOC(=O)CCF Amb22492835 [0,1,1,0,0,0|1,0,1]=4 1809 B7R0.7 CCOC(=O)CCI Amb19957952 [0,1,1,0,0,0|1,0,1]=4 1810 B7R0.7 CCOC(=O)CCN Amb2684293 [0,1,1,0,0,0|1,0,1]=4 1811 B7R0.7 CCOC(=O)CCN Amb2697378 [0,1,1,0,0,0|1,0,1]=4 1812 B7R0.7 CCOC(=O)CCO Amb8867845 [0,1,1,0,0,0|1,0,1]=4 1813 B7R0.7 CCOC(=O)CCS Amb20620159 [0,1,1,0,0,0|1,0,1]=4 1814 B7R0.7 CCOC(=O)CC[NH3+] Amb24113699 [0,1,1,0,0,0|1,0,1]=4 1815 B7R0.7 CCOC(=O)CNC Amb33531143 [0,1,1,0,0,0|1,0,1]=4 1816 B7R0.7 CCOC(=O)CNC Amb3941374 [0,1,1,0,0,0|1,0,1]=4 1817 B7R0.7 CCOC(=O)COC Amb2726240 [0,1,1,0,0,0|1,0,1]=4 1818 B7R0.7 CCOC(=O)CSC Amb8514150 [0,1,1,0,0,0|1,0,1]=4 1819 B7R0.7 CCOC(=O)N=C=O Amb3940139 [0,1,1,0,0,0|1,0,1]=4 1820 B7R0.7 CCOC(=O)NC=O Amb28349177 [0,1,1,0,0,0|1,0,0]=3 1821 B7R0.7 CCOC(=O)OCC Amb6608863 [0,1,1,0,0,0|1,0,1]=4 1822 B7R0.7 CCOC(=O)OCCl Amb8389475 [0,1,1,0,0,0|1,0,1]=4 1823 B7R0.7 CCOC(=O)OCI Amb26071568 [0,1,1,0,0,0|1,0,1]=4 1824 B7R0.7 CCOC(=O)[CH-]C=O Amb26035798 [0,1,1,0,0,0|1,0,0]=3 1825 B7R0.7 CCOC(=O)\C=C/Br Amb8515599 [0,1,1,0,0,0|2,0,0]=4 1826 B7R0.7 CCOC(=O)\C=C/Cl Amb27791777 [0,1,1,0,0,0|2,0,0]=4 1827 B7R0.7 CCOC(=O)\C=C/I Amb9825994 [0,1,1,0,0,0|2,0,0]=4 1828 B7R0.7 CCOC(=O)\C=C/N Amb25275600 [0,1,1,0,0,0|2,0,0]=4 1829 B7R0.7 CCOC(=O)\C=C\Br Amb33135678 [0,1,1,0,0,0|2,0,0]=4 1830 B7R0.7 CCOC(=O)\C=C\Cl Amb27205247 [0,1,1,0,0,0|2,0,0]=4 1831 B7R0.7 CCOC(=O)\C=C\F Amb32644746 [0,1,1,0,0,0|2,0,0]=4 1832 B7R0.7 CCOC(=O)\C=C\I Amb10604155 [0,1,1,0,0,0|2,0,0]=4 1833 B7R0.7 CCOC(=O)\C=C\N Amb20247563 [0,1,1,0,0,0|2,0,0]=4 1834 B7R0.7 CCOC(=O)\C=C\S Amb30008387 [0,1,1,0,0,0|1,1,0]=4 1835 B7R0.7 CCOC(=O)\C=C\[O-] Amb10552505 [0,1,1,0,0,0|1,0,1]=4 1836 B7R0.7 CCSC(=O)OCI Amb26369940 [0,1,1,0,0,0|1,0,1]=4 1837 B7R0.7 CCS\C(C)=C/C=O Amb18642814 [0,1,1,0,0,0|2,0,0]=4 1838 B7R0.7 CCS\C(C)=C\C=O Amb27482152 [0,1,1,0,0,0|2,0,0]=4 1839 B7R0.7 COCC(=O)OCCl Amb26452518 [0,1,1,0,0,0|1,0,1]=4 1840 B7R0.7 COC\C(C)=C\C=O Amb28287378 [0,1,1,0,0,0|2,0,0]=4 1841 B7R0.7 CSCC(=O)N=C=O Amb27635239 [0,1,1,0,0,0|1,0,1]=4 1842 B7R0.7 CSCC(=O)\C=C\Cl Amb35609142 [0,1,1,0,0,0|2,0,0]=4 1843 B7R0.7 C\C=C\C(=O)CCC Amb25717214 [0,1,1,0,0,0|2,0,0]=4 1844 B7R0.7 C\C=C\C(=O)CCCl Amb27803642 [0,1,1,0,0,0|2,0,0]=4 1845 B7R0.7 C\C=C\C(=O)COC Amb28315679 [0,1,1,0,0,0|2,0,0]=4 1846 B7R0.7 C\C=C\C(=O)OCC Amb8513578 [0,1,1,0,0,0|2,0,0]=4 1847 B7R0.7 NNOC(=O)CCO Amb27978054 [0,1,1,0,0,0|2,0,0]=4 1848 B7R0.7 O=C(\C=C\Cl)CCBr Amb35585518 [0,1,1,0,0,0|2,0,0]=4 1849 B7R0.7 O=C=NC(=O)CCBr Amb4164689 [0,1,1,0,0,0|1,0,1]=4 1850 B7R0.7 O=C=NC(=O)CCCl Amb18559295 [0,1,1,0,0,0|1,0,1]=4 1851 B7R0.7 O=CCC(=O)CCO Amb28255739 [0,1,1,0,0,0|1,0,0]=3 1852 B7R0.10 CCC(=O)C(Br)C=O Amb27407783 [0,1,1,0,0,0|1,0,0]=3 1853 B7R0.10 CCC(=O)\C(Br)=C\O Amb28316206 [0,1,1,0,0,0|1,0,1]=4 1854 B7R0.10 CCC(=O)\C(C)=C/N Amb17778143 [0,1,1,0,0,0|2,0,0]=4 1855 B7R0.10 CCC(=O)\C(C)=C\Br Amb26477160 [0,1,1,0,0,0|2,0,0]=4 1856 B7R0.10 CCC(=O)\C(C)=C\Cl Amb28291599 [0,1,1,0,0,0|2,0,0]=4 1857 B7R0.10 CCC(=O)\C(C)=C\N Amb27798686 [0,1,1,0,0,0|2,0,0]=4 1858 B7R0.10 CCS(=O)C(C)C=O Amb35647337 [0,1,1,0,0,0|2,0,0]=4 1859 B7R0.10 CC\C(C)=C(/C)C=O Amb27622928 [0,1,1,0,0,0|2,0,0]=4 1860 B7R0.10 CC\C(C)=C(/F)C=O Amb27948535 [0,1,1,0,0,0|2,0,0]=4 1861 B7R0.10 CC\C(Cl)=C(/C)C=O Amb27761558 [0,1,1,0,0,0|2,0,0]=4 1862 B7R0.10 CC\C(O)=C(/Br)C=O Amb28133175 [0,1,1,0,0,0|1,0,1]=4 1863 B7R0.10 CNC(=O)N(C)C=O Amb27839124 [0,1,1,0,0,0|2,0,0]=4 1864 B7R0.10 COC(=O)C(Br)C=O Amb28385653 [0,1,1,0,0,0|2,0,0]=4 1865 B7R0.10 COC(=O)C(C)C=O Amb18641861 [0,1,1,0,0,0|2,0,0]=4 1866 B7R0.10 COC(=O)C(Cl)C=O Amb17621536 [0,1,1,0,0,0|2,0,0]=4 1867 B7R0.10 COC(=O)C(O)C=O Amb27468135 [0,1,1,0,0,0|2,0,0]=4 1868 B7R0.10 COC(=O)[C@@H](C)C=O Amb25107069 [0,1,1,0,0,0|2,0,0]=4 1869 B7R0.10 COC(=O)[C@H](C)C=O Amb25889345 [0,1,1,0,0,0|2,0,0]=4 1870 B7R0.10 C\C=C(/C)C(=O)CC Amb28066002 [0,1,1,0,0,0|2,0,0]=4 1871 B7R0.11 CCS(=O)(=O)CC=O Amb23452894 [0,1,1,0,0,0|2,0,0]=4 1872 B7R0.12 CCC(CC)OC=O Amb27668664 [0,1,1,0,0,0|1,0,1]=4 1873 B7R0.12 CC\C(=C/C=O)SC Amb27440443 [0,1,1,0,0,0|1,1,0]=4 1874 B7R0.9 CC(=O)CS(C)(=O)=O Amb2689700 [0,1,1,0,0,0|2,0,0]=4 1875 B7R0.9 CC(=O)NS(C)(=O)=O Amb4158231 [0,1,1,0,0,0|2,0,0]=4 1876 B7R0.9 CC(=O)OC(C)(C)C Amb8386362 [0,1,1,0,0,0|1,0,1]=4 1877 B7R0.9 CC(=O)OC(C)(C)Cl Amb28456284 [0,1,1,0,0,0|1,0,1]=4 1878 B7R0.9 CC(=O)OC(C)(O)Cl Amb27756319 [0,1,1,0,0,0|0,0,2]=4 1879 B7R0.9 CC(=O)OS(C)(=O)=O Amb4036437 [0,1,1,0,0,0|1,0,0]=3 1880 B7R0.16 C=C(C(C)=O)C(C)=O Amb27424014 [0,1,1,0,0,0|1,0,0]=3 1881 B7R0.16 C=C(C(C)=O)C(N)=O Amb27814821 [0,1,1,0,0,0|2,0,0]=4 1882 B7R0.16 C=C(C)C(Cl)C(C)=O Amb27633869 [0,1,1,0,0,0|2,0,0]=4 1883 B7R0.16 CC(=N)C(C)C(C)=O Amb28315572 [0,1,1,0,0,0|2,0,0]=4 1884 B7R0.16 CC(=O)C(=O)C(=O)O Amb24101563 [0,1,1,0,0,0|2,0,0]=4 1885 B7R0.16 CC(=O)C(=O)C(C)=O Amb17593178 [0,1,1,0,0,0|1,0,0]=3 1886 B7R0.16 CC(=O)C(=S)C(C)=O Amb24588939 [0,1,1,0,0,0|1,0,0]=3 1887 B7R0.16 CC(=O)C(Br)C(C)=O Amb22000680 [0,1,1,0,0,0|1,0,0]=3 1888 B7R0.16 CC(=O)C(C)=C(C)C Amb17593162 [0,1,1,0,0,0|2,0,0]=4 1889 B7R0.16 CC(=O)C(C)C(=O)Cl Amb27971652 [0,1,1,0,0,0|2,0,0]=4 1890 B7R0.16 CC(=O)C(C)C(C)=O Amb1152249 [0,1,1,0,0,0|1,0,0]=3 1891 B7R0.16 CC(=O)C(Cl)=C(C)C Amb28048939 [0,1,1,0,0,0|2,0,0]=4 1892 B7R0.16 CC(=O)C(Cl)C(C)=O Amb3940505 [0,1,1,0,0,0|1,0,0]=3 1893 B7R0.16 CC(=O)C(N)C(=O)O Amb21962887 [0,1,1,0,0,0|2,0,0]=4 1894 B7R0.16 CC(=O)C(N)C(C)=O Amb18632931 [0,1,1,0,0,0|1,0,0]=3 1895 B7R0.16 CC(=O)C(N)C(C)=O Amb6893881 [0,1,1,0,0,0|1,0,0]=3 1896 B7R0.16 CC(=O)C(O)C(C)=O Amb28048968 [0,1,1,0,0,0|1,0,0]=3 1897 B7R0.16 CC(=O)N(C)C(=O)Cl Amb33338974 [0,1,1,0,0,0|2,0,0]=4 1898 B7R0.16 CC(=O)N(C)C(C)=O Amb2720846 [0,1,1,0,0,0|1,0,0]=3 1899 B7R0.16 CC(=O)N(O)C(C)=O Amb22750106 [0,1,1,0,0,0|1,0,0]=3 1900 B7R0.16 CC(=O)\C(C)=C(/C)N Amb25232464 [0,1,1,0,0,0|2,0,0]=4 1901 B7R0.16 CC(=O)\C(C)=C(\C)Br Amb27265798 [0,1,1,0,0,0|2,0,0]=4 1902 B7R0.16 CC(=O)\C(C)=C(\C)N Amb28316241 [0,1,1,0,0,0|2,0,0]=4 1903 B7R0.16 CC(=O)\C(F)=C(/C)F Amb27798095 [0,1,1,0,0,0|2,0,0]=4 1904 B7R0.16 CC(=O)\C(F)=C(/C)O Amb28384212 [0,1,1,0,0,0|1,0,1]=4 1905 B7R0.16 CC(=O)\C(F)=C(\C)F Amb24645401 [0,1,1,0,0,0|2,0,0]=4 1906 B7R0.16 CC(=O)\C(N)=C(/C)O Amb26452525 [0,1,1,0,0,0|1,0,1]=4 1907 B7R0.4 C#CCCCC(=O)O Amb2721705 [0,1,1,0,0,0|1,0,1]=4 1908 B7R0.4 C#CCNCC(=O)O Amb33551387 [0,1,1,0,0,0|1,0,1]=4 1909 B7R0.4 C#CCNCC(=O)O Amb6740302 [0,1,1,0,0,0|1,0,1]=4 1910 B7R0.4 C#CCOCC(=O)O Amb9208655 [0,1,1,0,0,0|1,0,1]=4 1911 B7R0.4 C#CCSCC(=O)O Amb2372297 [0,1,1,0,0,0|1,0,1]=4 1912 B7R0.4 C=C(C)CCNC=O Amb27228134 [0,1,1,0,0,0|2,0,0]=4 1913 B7R0.4 C=C(C)COCC=O Amb27949608 [0,1,1,0,0,0|2,0,0]=4 1914 B7R0.4 C=C(Cl)CCCC=O Amb27751311 [0,1,1,0,0,0|2,0,0]=4 1915 B7R0.4 C=C=CCCC(C)=O Amb28315801 [0,1,1,0,0,0|2,0,0]=4 1916 B7R0.4 C=C=CSCC(=O)O Amb27812092 [0,1,1,0,0,0|2,0,0]=4 1917 B7R0.4 C=CC#CCC(=O)O Amb27162652 [0,1,1,0,0,0|1,0,1]=4 1918 B7R0.4 C=CCC#CC(=O)O Amb28252724 [0,1,1,0,0,0|1,0,1]=4 1919 B7R0.4 C=CCCCC(=O)Cl Amb8392411 [0,1,1,0,0,0|2,0,0]=4 1920 B7R0.4 C=CCCCC(=O)O Amb3941675 [0,1,1,0,0,0|1,0,0]=3 1921 B7R0.4 C=CCCCC(C)=O Amb17593171 [0,1,1,0,0,0|2,0,0]=4 1922 B7R0.4 C=CCCNC(N)=O Amb25789999 [0,1,1,0,0,0|2,0,0]=4 1923 B7R0.4 C=CCCOC(=O)Cl Amb10844792 [0,1,1,0,0,0|2,0,0]=4 1924 B7R0.4 C=CCCOC(C)=O Amb3940828 [0,1,1,0,0,0|2,0,0]=4 1925 B7R0.4 C=CCCSC(C)=O Amb24117956 [0,1,1,0,0,0|2,0,0]=4 1926 B7R0.4 C=CCNCC(=O)O Amb7766404 [0,1,1,0,0,0|1,0,0]=3 1927 B7R0.4 C=CCNCC(=O)O Amb8631497 [0,1,1,0,0,0|1,0,0]=3 1928 B7R0.4 C=CCNCC(N)=O Amb6706481 [0,1,1,0,0,0|2,0,0]=4 1929 B7R0.4 C=CCOCC(=O)O Amb9208694 [0,1,1,0,0,0|1,0,0]=3 1930 B7R0.4 C=CCOCC(C)=O Amb27829146 [0,1,1,0,0,0|2,0,0]=4 1931 B7R0.4 C=CCOCC(N)=O Amb26859258 [0,1,1,0,0,0|2,0,0]=4 1932 B7R0.4 C=CCSCC(=O)O Amb33526723 [0,1,1,0,0,0|1,0,0]=3 1933 B7R0.4 C=CNCCC(=O)O Amb27429817 [0,1,1,0,0,0|1,0,0]=3 1934 B7R0.4 C=COCCC(=O)O Amb28350126 [0,1,1,0,0,0|1,0,0]=3 1935 B7R0.4 C=C\C=C\CC(=O)O Amb34916435 [0,1,1,0,0,0|1,0,1]=4 1936 B7R0.4 CC#CCCC(=O)O Amb3987196 [0,1,1,0,0,0|1,0,1]=4 1937 B7R0.4 CC(=O)CC\C=N\O Amb27656180 [0,1,1,0,0,0|1,0,1]=4 1938 B7R0.4 CC(=O)C\C=C\C=O Amb27165276 [0,1,1,0,0,0|1,0,1]=4 1939 B7R0.4 CC(=O)NCCC=O Amb17102165 [0,1,1,0,0,0|1,0,0]=3 1940 B7R0.4 CC(=O)SCCC=O Amb25101351 [0,1,1,0,0,0|1,0,0]=3 1941 B7R0.4 CC(C)=CCCC=O Amb17593168 [0,1,1,0,0,0|2,0,0]=4 1942 B7R0.4 CC(O)CCCC=O Amb18641887 [0,1,1,0,0,0|1,0,1]=4 1943 B7R0.4 CCCCCC(=O)O Amb3939846 [0,1,1,0,0,0|1,0,1]=4 1944 B7R0.4 CCCNCC(=O)O Amb10609640 [0,1,1,0,0,0|1,0,1]=4 1945 B7R0.4 CCCNCC(=O)O Amb1110628 [0,1,1,0,0,0|1,0,1]=4 1946 B7R0.4 CCCOCC(=O)O Amb8874504 [0,1,1,0,0,0|1,0,1]=4 1947 B7R0.4 CCCSCC(=O)O Amb1137113 [0,1,1,0,0,0|1,0,1]=4 1948 B7R0.4 CCNCCC(=O)O Amb28934794 [0,1,1,0,0,0|1,0,1]=4 1949 B7R0.4 CCNCCC(=O)O Amb7766402 [0,1,1,0,0,0|1,0,1]=4 1950 B7R0.4 CCOCCC(=O)O Amb3939859 [0,1,1,0,0,0|1,0,1]=4 1951 B7R0.4 CCSCCC(=O)O Amb6273140 [0,1,1,0,0,0|1,0,1]=4 1952 B7R0.4 CC\C=C/CC(=O)O Amb2720526 [0,1,1,0,0,0|1,0,1]=4 1953 B7R0.4 CC\C=C\CC(=O)O Amb3940332 [0,1,1,0,0,0|1,0,1]=4 1954 B7R0.4 CNCCCC(=O)O Amb1153115 [0,1,1,0,0,0|1,0,1]=4 1955 B7R0.4 CNCCCC(=O)O Amb4521435 [0,1,1,0,0,0|1,0,1]=4 1956 B7R0.4 COCCCC(=O)O Amb6275629 [0,1,1,0,0,0|0,0,2]=4 1957 B7R0.4 COCOCC(=O)O Amb28059312 [0,1,1,0,0,0|2,0,0]=4 1958 B7R0.4 COCSCC(=O)O Amb27466837 [0,1,1,0,0,0|2,0,0]=4 1959 B7R0.4 CSCCCC(=O)O Amb17503622 [0,1,1,0,0,0|0,1,1]=4 1960 B7R0.4 CSCSCC(=O)O Amb27858824 [0,1,1,0,0,0|2,0,0]=4 1961 B7R0.4 CSSCCC(=O)O Amb26848465 [0,1,1,0,0,0|1,1,0]=4 1962 B7R0.4 CS\C=C\CC(=O)O Amb26656267 [0,1,1,0,0,0|0,1,1]=4 1963 B7R0.4 C\C(Cl)=C\CCC=O Amb27792418 [0,1,1,0,0,0|2,0,0]=4 1964 B7R0.4 C\C=C\CCC(=O)O Amb34910859 [0,1,1,0,0,0|1,0,0]=3 1965 B7R0.4 C\C=C\CCC(C)=O Amb9031579 [0,1,1,0,0,0|2,0,0]=4 1966 B7R0.4 N#CCCCC(=O)O Amb33542831 [0,1,1,0,0,0|1,0,1]=4 1967 B7R0.4 N#CCSCC(=O)O Amb6243720 [0,1,1,0,0,0|1,0,1]=4 1968 B7R0.4 N#CNCCC(=O)O Amb30031691 [0,1,1,0,0,0|1,0,1]=4 1969 B7R0.4 NC(=O)CC\C=C\Cl Amb25173831 [0,1,1,0,0,0|2,0,0]=4 1970 B7R0.4 NC(=O)NCCN=O Amb27796959 [0,1,1,0,0,0|2,0,0]=4 1971 B7R0.4 NC(=S)CCNC=O Amb27395809 [0,1,1,0,0,0|1,1,0]=4 1972 B7R0.4 NC(=S)SCCC=O Amb27839069 [0,1,1,0,0,0|1,1,0]=4 1973 B7R0.4 NCCCCC(=O)O Amb2780021 [0,1,1,0,0,0|1,0,1]=4 1974 B7R0.4 NCCCCC(=O)O Amb3941646 [0,1,1,0,0,0|1,0,1]=4 1975 B7R0.4 NCCCCC(=O)O Amb9825855 [0,1,1,0,0,0|1,0,1]=4 1976 B7R0.4 NCCCNC(=O)O Amb24093884 [0,1,1,0,0,0|1,0,1]=4 1977 B7R0.4 NCCNCC(=O)O Amb17608063 [0,1,1,0,0,0|1,0,1]=4 1978 B7R0.4 NCCNCC(=O)O Amb33339058 [0,1,1,0,0,0|1,0,1]=4 1979 B7R0.4 NCCOCC(=O)O Amb18630146 [0,1,1,0,0,0|1,0,1]=4 1980 B7R0.4 NCCOCC(=O)O Amb33550947 [0,1,1,0,0,0|1,0,1]=4 1981 B7R0.4 NCCSCC(=O)O Amb17500446 [0,1,1,0,0,0|1,0,1]=4 1982 B7R0.4 NCCSCC(=O)O Amb20622325 [0,1,1,0,0,0|1,0,1]=4 1983 B7R0.4 NOCCCC(=O)O Amb10975956 [0,1,1,0,0,0|0,0,2]=4 1984 B7R0.4 NOCCCC(=O)O Amb22011795 [0,1,1,0,0,0|0,0,2]=4 1985 B7R0.4 NOCCCC(=O)O Amb31283653 [0,1,1,0,0,0|0,0,2]=4 1986 B7R0.4 O=C(O)CCCCBr Amb6608763 [0,1,1,0,0,0|1,0,1]=4 1987 B7R0.4 O=C(O)CCCCCl Amb3940369 [0,1,1,0,0,0|1,0,1]=4 1988 B7R0.4 O=C(O)CCCCF Amb26639920 [0,1,1,0,0,0|1,0,1]=4 1989 B7R0.4 O=C(O)CCCCO Amb9214971 [0,1,1,0,0,0|0,0,2]=4 1990 B7R0.4 O=C(O)CCCCS Amb17503767 [0,1,1,0,0,0|0,1,1]=4 1991 B7R0.4 O=C(O)CCCNCl Amb27173950 [0,1,1,0,0,0|1,0,1]=4 1992 B7R0.4 O=C(O)CCN=C=S Amb24562253 [0,1,1,0,0,0|0,1,1]=4 1993 B7R0.4 O=C(O)CC\C=C\Br Amb25238247 [0,1,1,0,0,0|1,0,0]=3 1994 B7R0.4 O=C(O)CC\C=N\O Amb27211579 [0,1,1,0,0,0|0,0,1]=3 1995 B7R0.4 O=C(O)CNCCF Amb28076282 [0,1,1,0,0,0|1,0,1]=4 1996 B7R0.4 O=C(O)CNCCO Amb9325653 [0,1,1,0,0,0|0,0,2]=4 1997 B7R0.4 O=C(O)COCCCl Amb21857870 [0,1,1,0,0,0|1,0,1]=4 1998 B7R0.4 O=C(O)COCCF Amb27866609 [0,1,1,0,0,0|1,0,1]=4 1999 B7R0.4 O=C(O)COCCO Amb6680914 [0,1,1,0,0,0|0,0,2]=4 2000 B7R0.4 O=C(O)CSCCCl Amb18644703 [0,1,1,0,0,0|1,0,1]=4 2001 B7R0.4 O=C(O)C\C=C/CS Amb18124361 [0,1,1,0,0,0|0,1,1]=4 2002 B7R0.4 O=C(O)C\C=C\CO Amb28429811 [0,1,1,0,0,0|0,0,2]=4 2003 B7R0.4 O=C(O)C\C=C\CS Amb24693621 [0,1,1,0,0,0|0,1,1]=4 2004 B7R0.4 O=C=NCCC(=O)Cl Amb17593404 [0,1,1,0,0,0|1,0,1]=4 2005 B7R0.4 O=C=NCCC(=O)O Amb26053417 [0,1,1,0,0,0|0,0,1]=3 2006 B7R0.4 O=CCCCC(=O)O Amb17593198 [0,1,1,0,0,0|0,0,0]=2 2007 B7R0.4 O=CCCCC(O)O Amb25889261 [0,1,1,0,0,0|0,0,2]=4 2008 B7R0.4 O=CNCCC(=O)O Amb18290434 [0,1,1,0,0,0|0,0,0]=2 2009 B7R0.4 O=CNOCC(=O)O Amb27477273 [0,1,1,0,0,0|1,0,0]=3 2010 B7R0.4 O=NSCCC(=O)O Amb28429846 [0,1,1,0,0,0|1,0,0]=3 2011 B7R0.4 [N-]=[N+]=NCCC(=O)O Amb20622326 [0,1,1,0,0,0|2,0,0]=4 2012 B7R0.6 C=C(Br)CCC(=O)O Amb18648212 [0,1,1,0,0,0|1,0,0]=3 2013 B7R0.6 C=C(C)CCC(=O)O Amb18641793 [0,1,1,0,0,0|1,0,0]=3 2014 B7R0.6 C=C(C)CCC(C)=O Amb9024770 [0,1,1,0,0,0|2,0,0]=4 2015 B7R0.6 C=C(C)CCC(N)=O Amb27838318 [0,1,1,0,0,0|2,0,0]=4 2016 B7R0.6 C=C(C)NCC(=O)O Amb9173757 [0,1,1,0,0,0|2,0,0]=4 2017 B7R0.6 C=C(Cl)CCC(=O)O Amb18642971 [0,1,1,0,0,0|1,0,0]=3 2018 B7R0.6 C=C(Cl)CCC(C)=O Amb28316194 [0,1,1,0,0,0|2,0,0]=4 2019 B7R0.6 C=C(N)CCC(=O)O Amb27629351 [0,1,1,0,0,0|1,0,0]=3 2020 B7R0.6 CC(=O)CCB(O)O Amb25095502 [0,1,1,0,0,0|1,0,1]=4 2021 B7R0.6 CC(=O)CCC(=O)O Amb534169 [0,1,1,0,0,0|0,0,0]=2 2022 B7R0.6 CC(=O)CCC(=S)Cl Amb28049019 [0,1,1,0,0,0|1,1,0]=4 2023 B7R0.6 CC(=O)CCC(C)=O Amb2793010 [0,1,1,0,0,0|1,0,0]=3 2024 B7R0.6 CC(=O)CCC(C)=S Amb27226729 [0,1,1,0,0,0|1,1,0]=4 2025 B7R0.6 CC(=O)CCC(C)O Amb25829594 [0,1,1,0,0,0|1,0,1]=4 2026 B7R0.6 CC(=O)CCC(N)=O Amb17142854 [0,1,1,0,0,0|1,0,0]=3 2027 B7R0.6 CC(=O)CCC(O)=S Amb27267983 [0,1,1,0,0,0|0,1,0]=3 2028 B7R0.6 CC(=O)CC[C@@H](C)O Amb22351150 [0,1,1,0,0,0|1,0,1]=4 2029 B7R0.6 CC(=O)CC[N+](=O)[O-] Amb18198961 [0,1,1,0,0,0|1,0,1]=4 2030 B7R0.6 CC(=O)CNC(C)=O Amb6297294 [0,1,1,0,0,0|2,0,0]=4 2031 B7R0.6 CC(=O)COC(C)=O Amb8517567 [0,1,1,0,0,0|2,0,0]=4 2032 B7R0.6 CC(=O)NCC(=O)O Amb1215271 [0,1,1,0,0,0|1,0,0]=3 2033 B7R0.6 CC(=O)NCC(N)=O Amb17231824 [0,1,1,0,0,0|2,0,0]=4 2034 B7R0.6 CC(=O)OCC(=O)Cl Amb3939160 [0,1,1,0,0,0|2,0,0]=4 2035 B7R0.6 CC(=O)OCC(=O)O Amb1151259 [0,1,1,0,0,0|1,0,0]=3 2036 B7R0.6 CC(=O)OCC(N)=O Amb24670486 [0,1,1,0,0,0|2,0,0]=4 2037 B7R0.6 CC(=O)SCC(=O)Cl Amb24451416 [0,1,1,0,0,0|2,0,0]=4 2038 B7R0.6 CC(=O)SCC(N)=O Amb22353247 [0,1,1,0,0,0|2,0,0]=4 2039 B7R0.6 CC(=O)\C=C\C(=O)O Amb2722867 [0,1,1,0,0,0|0,0,2]=4 2040 B7R0.6 CC(=O)\N=C\C(=O)O Amb27262053 [0,1,1,0,0,0|1,0,1]=4 2041 B7R0.6 CC(=S)NCC(=O)O Amb24325138 [0,1,1,0,0,0|1,1,0]=4 2042 B7R0.6 CC(=S)SCC(=O)O Amb25963237 [0,1,1,0,0,0|1,1,0]=4 2043 B7R0.6 CC(Br)CCC(=O)O Amb18124528 [0,1,1,0,0,0|1,0,1]=4 2044 B7R0.6 CC(C)=CCC(=O)O Amb6274419 [0,1,1,0,0,0|1,0,1]=4 2045 B7R0.6 CC(C)CCC(=O)O Amb1153016 [0,1,1,0,0,0|1,0,1]=4 2046 B7R0.6 CC(I)CCC(=O)O Amb25938596 [0,1,1,0,0,0|1,0,1]=4 2047 B7R0.6 CC(N)CCC(=O)O Amb17593212 [0,1,1,0,0,0|1,0,1]=4 2048 B7R0.6 CC(N)CCC(=O)O Amb19515603 [0,1,1,0,0,0|1,0,1]=4 2049 B7R0.6 CC(O)CCC(=O)O Amb18294804 [0,1,1,0,0,0|0,0,2]=4 2050 B7R0.6 CC(O)CCC(=O)[O-] Amb32729478 [0,1,1,0,0,0|1,0,1]=4 2051 B7R0.6 CC(S)CCC(=O)O Amb8471198 [0,1,1,0,0,0|0,1,1]=4 2052 B7R0.6 CN(C)CCC(=O)O Amb19888182 [0,1,1,0,0,0|2,0,0]=4 2053 B7R0.6 CN(C)CCC(=O)O Amb6633385 [0,1,1,0,0,0|2,0,0]=4 2054 B7R0.6 CN(N)CCC(=O)O Amb2698078 [0,1,1,0,0,0|2,0,0]=4 2055 B7R0.6 CN(O)CCC(N)=O Amb27390605 [0,1,1,0,0,0|2,0,0]=4 2056 B7R0.6 CS(=O)CCC(=O)O Amb18523762 [0,1,1,0,0,0|1,0,0]=3 2057 B7R0.6 CS(=O)NCC(=O)O Amb25237322 [0,1,1,0,0,0|2,0,0]=4 2058 B7R0.6 C[C@@H](N)CCC(=O)O Amb25960628 [0,1,1,0,0,0|1,0,1]=4 2059 B7R0.6 C[C@@H](N)CCC(=O)O Amb35753110 [0,1,1,0,0,0|1,0,1]=4 2060 B7R0.6 C[C@H](N)CCC(=O)O Amb25047328 [0,1,1,0,0,0|1,0,1]=4 2061 B7R0.6 C[C@H](N)CCC(=O)O Amb35752545 [0,1,1,0,0,0|1,0,1]=4 2062 B7R0.6 C[C@H](O)CCC(=O)O Amb27656596 [0,1,1,0,0,0|0,0,2]=4 2063 B7R0.6 C[C@H](S)CCC(=O)O Amb27170326 [0,1,1,0,0,0|0,1,1]=4 2064 B7R0.6 C[S+](C)CCC(=O)O Amb8390782 [0,1,1,0,0,0|2,0,0]=4 2065 B7R0.6 C\C(Cl)=C\CC(=O)O Amb27975492 [0,1,1,0,0,0|1,0,1]=4 2066 B7R0.6 N=C(N)CCC(N)=O Amb25680023 [0,1,1,0,0,0|2,0,0]=4 2067 B7R0.6 N=C(N)NCC(=O)O Amb16231404 [0,1,1,0,0,0|2,0,0]=4 2068 B7R0.6 N=C(N)NCC(=O)O Amb2781642 [0,1,1,0,0,0|2,0,0]=4 2069 B7R0.6 N=C(N)SCC(=O)O Amb33544354 [0,1,1,0,0,0|2,0,0]=4 2070 B7R0.6 NC(=O)CCC(=O)Cl Amb28240580 [0,1,1,0,0,0|1,0,0]=3 2071 B7R0.6 NC(=O)CCC(=O)O Amb2967294 [0,1,1,0,0,0|0,0,0]=2 2072 B7R0.6 NC(=O)CCC(N)=O Amb1353209 [0,1,1,0,0,0|1,0,0]=3 2073 B7R0.6 NC(=O)CCC(O)O Amb27254204 [0,1,1,0,0,0|0,0,2]=4 2074 B7R0.6 NC(=O)CO[PH](=O)O Amb27392553 [0,1,1,0,0,0|2,0,0]=4 2075 B7R0.6 NC(=O)NCC(=O)O Amb6366364 [0,1,1,0,0,0|1,0,0]=3 2076 B7R0.6 NC(=O)\C=C/C(=O)O Amb2719749 [0,1,1,0,0,0|0,0,2]=4 2077 B7R0.6 NC(=O)\C=C\C(=O)O Amb9277095 [0,1,1,0,0,0|0,0,2]=4 2078 B7R0.6 NC(=O)\N=C\C(=O)O Amb27592464 [0,1,1,0,0,0|1,0,1]=4 2079 B7R0.6 NC(=S)CCC(=O)O Amb18102382 [0,1,1,0,0,0|0,1,0]=3 2080 B7R0.6 NC(=S)NCC(=O)O Amb9786290 [0,1,1,0,0,0|1,1,0]=4 2081 B7R0.6 O=C(Cl)CCC(=O)Cl Amb3940240 [0,1,1,0,0,0|1,0,0]=3 2082 B7R0.6 O=C(O)C#CC(=O)O Amb6297768 [0,1,1,0,0,0|0,0,2]=4 2083 B7R0.6 O=C(O)CC=C(Cl)Cl Amb17593875 [0,1,1,0,0,0|1,0,1]=4 2084 B7R0.6 O=C(O)CCB(O)O Amb24640288 [0,1,1,0,0,0|1,0,1]=4 2085 B7R0.6 O=C(O)CCC(=O)O Amb22168124 [0,1,1,0,0,0|0,0,0]=2 2086 B7R0.6 O=C(O)CCC(=O)O Amb2792874 [0,1,1,0,0,0|0,0,0]=2 2087 B7R0.6 O=C(O)CCC(Cl)Cl Amb25059214 [0,1,1,0,0,0|1,0,1]=4 2088 B7R0.6 O=C(O)CCC(F)F Amb20623135 [0,1,1,0,0,0|1,0,1]=4 2089 B7R0.6 O=C(O)CCN(F)F Amb28370344 [0,1,1,0,0,0|2,0,0]=4 2090 B7R0.6 O=C(O)CCP(O)O Amb27424479 [0,1,1,0,0,0|1,0,1]=4 2091 B7R0.6 O=C(O)CCS(=O)O Amb27144832 [0,1,1,0,0,0|1,0,0]=3 2092 B7R0.6 O=C(O)CC[N+](=O)[O-] Amb10843224 [0,1,1,0,0,0|1,0,0]=3 2093 B7R0.6 O=C(O)CC[SH](=O)=O Amb27410689 [0,1,1,0,0,0|1,0,0]=3 2094 B7R0.6 O=C(O)CNC(=O)S Amb27424662 [0,1,1,0,0,0|1,0,0]=3 2095 B7R0.6 O=C(O)CN[N+](=O)[O-] Amb26397226 [0,1,1,0,0,0|2,0,0]=4 2096 B7R0.6 O=C(O)COC(=O)Cl Amb27199161 [0,1,1,0,0,0|1,0,0]=3 2097 B7R0.6 O=C(O)\C=C/C(=O)O Amb2792876 [0,1,1,0,0,0|0,0,2]=4 2098 B7R0.6 O=C(O)\C=C\C(=O)Cl Amb25890079 [0,1,1,0,0,0|0,0,2]=4 2099 B7R0.6 O=C(O)\C=C\C(=O)O Amb6608657 [0,1,1,0,0,0|0,0,2]=4 2100 B7R0.6 O=C(O)\C=C\C(=O)O Amb8513055 [0,1,1,0,0,0|0,0,2]=4 2101 B7R0.6 O=C(O)\C=C\C(=O)S Amb27468769 [0,1,1,0,0,0|0,0,2]=4 2102 B7R0.6 O=C([O-])C#CC(=O)O Amb19748298 [0,1,1,0,0,0|0,0,2]=4 2103 B7R0.6 O=C([O-])C#CC(=O)O Amb2721628 [0,1,1,0,0,0|0,0,2]=4 2104 B7R0.6 O=C([O-])C#CC(=O)O Amb33620293 [0,1,1,0,0,0|0,0,2]=4 2105 B7R0.6 O=C([O-])CCC(=O)[O-] Amb33512742 [0,1,1,0,0,0|0,0,1]=3 2106 B7R0.6 O=C([O-])CCC(=O)[O-] Amb8514379 [0,1,1,0,0,0|0,0,1]=3 2107 B7R0.6 O=C([O-])\C=C/C(=O)O Amb22168115 [0,1,1,0,0,0|0,0,2]=4 2108 B7R0.6 O=C([O-])\C=C/C(=O)O Amb9787714 [0,1,1,0,0,0|0,0,2]=4 2109 B7R0.6 [BH3-]C(=O)NCC(=O)O Amb27478291 [0,1,1,0,0,0|1,0,0]=3 2110 B7R0.8 CP(=O)(O)CCC=O Amb27643443 [0,1,1,0,0,0|1,0,0]=3 2111 B7R0.8 CS(=O)(=O)CCC=O Amb28289688 [0,1,1,0,0,0|1,0,1]=4 2112 B7R0.8 O=CCOP(=O)(O)O Amb27169501 [0,1,1,0,0,0|2,0,0]=4 2113 B7R0.8 O=CCOS(=O)(=O)O Amb27255602 [0,1,1,0,0,0|2,0,0]=4 2114 B7R1.1 O=C=C1CC=CN1 Amb27851531 [1,1,0,0,0,0|1,0,1]=4 2115 B7R1.1 O=C=C1CCCC1 Amb17673796 [1,1,0,0,0,0|1,0,1]=4 2116 B7R1.1 O=CC1=CC=CC1 Amb25799627 [1,1,0,0,0,0|1,0,1]=4 2117 B7R1.1 O=CC1=CCCC1 Amb17138358 [1,1,0,0,0,0|1,0,1]=4 2118 B7R1.1 O=CC1=CCCO1 Amb18120782 [1,1,0,0,0,0|0,0,2]=4 2119 B7R1.1 O=CC1=COCC1 Amb18120774 [1,1,0,0,0,0|2,0,0]=4 2120 B7R1.1 O=CC1=NOCC1 Amb35788708 [1,1,0,0,0,0|2,0,0]=4 2121 B7R1.1 O=CC1C=CCC1 Amb27229924 [1,1,0,0,0,0|1,0,1]=4 2122 B7R1.1 O=CC1CCCO1 Amb3939388 [1,1,0,0,0,0|0,0,2]=4 2123 B7R1.1 O=Cc1ccco1 Amb2720358 [1,1,0,0,0,0|0,0,2]=4 2124 B7R1.1 O=Cc1cnco1 Amb8010823 [1,1,0,0,0,0|1,0,1]=4 2125 B7R1.1 O=Cc1ncco1 Amb33544448 [1,1,0,0,0,0|1,0,1]=4 2126 B7R1.1 O=Cc1nnco1 Amb21856468 [1,1,0,0,0,0|2,0,0]=4 2127 B7R1.1 O=NN1C=CCC1 Amb27845186 [1,1,0,0,0,0|2,0,0]=4 2128 B7R1.1 O=S=C1NCCO1 Amb28350550 [1,1,0,0,0,0|1,0,1]=4 2129 B7R1.1 O\N=C1/C=CCC1 Amb27838262 [1,1,0,0,0,0|1,0,1]=4 2130 B7R1.4 C=C1CCCC1=O Amb17593061 [1,1,0,0,0,0|1,0,1]=4 2131 B7R1.4 C=C1CCOC1=O Amb3941636 [1,1,0,0,0,0|0,0,2]=4 2132 B7R1.4 CC1=CCCC1=O Amb8514958 [1,1,0,0,0,0|1,0,0]=3 2133 B7R1.4 CC1=CCOC1=O Amb16231256 [1,1,0,0,0,0|2,0,0]=4 2134 B7R1.4 CC1C=COC1=O Amb27862334 [1,1,0,0,0,0|0,0,1]=3 2135 B7R1.4 CC1CCCC1=O Amb8514830 [1,1,0,0,0,0|1,0,1]=4 2136 B7R1.4 CC1CCNC1=O Amb10603701 [1,1,0,0,0,0|1,0,1]=4 2137 B7R1.4 CC1CCOC1=O Amb16185414 [1,1,0,0,0,0|0,0,1]=3 2138 B7R1.4 CC1CNNC1=O Amb27228083 [1,1,0,0,0,0|2,0,0]=4 2139 B7R1.4 CC1COCC1=O Amb24333426 [1,1,0,0,0,0|2,0,0]=4 2140 B7R1.4 CC1CONC1=O Amb33714888 [1,1,0,0,0,0|2,0,0]=4 2141 B7R1.4 CC1CSCC1=O Amb21964769 [1,1,0,0,0,0|2,0,0]=4 2142 B7R1.4 CC1NC=CC1=O Amb28201187 [1,1,0,0,0,0|2,0,0]=4 2143 B7R1.4 CC1NCCC1=O Amb26950680 [1,1,0,0,0,0|2,0,0]=4 2144 B7R1.4 CC1NCCC1=O Amb32410228 [1,1,0,0,0,0|2,0,0]=4 2145 B7R1.4 CC1OC=CC1=O Amb28053998 [1,1,0,0,0,0|2,0,0]=4 2146 B7R1.4 CC1OCCC1=O Amb2725497 [1,1,0,0,0,0|2,0,0]=4 2147 B7R1.4 CC1SCCC1=O Amb8392845 [1,1,0,0,0,0|2,0,0]=4 2148 B7R1.4 CN1CC=CC1=O Amb22372248 [1,1,0,0,0,0|2,0,0]=4 2149 B7R1.4 CN1CCCC1=O Amb22493780 [1,1,0,0,0,0|1,0,1]=4 2150 B7R1.4 CN1CCCC1=O Amb6608842 [1,1,0,0,0,0|1,0,1]=4 2151 B7R1.4 CN1CCOC1=O Amb22347786 [1,1,0,0,0,0|1,0,1]=4 2152 B7R1.4 CN1NCCC1=O Amb18559311 [1,1,0,0,0,0|2,0,0]=4 2153 B7R1.4 C[C@@H]1CCNC1=O Amb22748230 [1,1,0,0,0,0|1,0,1]=4 2154 B7R1.4 C[C@@H]1NCCC1=O Amb18197575 [1,1,0,0,0,0|2,0,0]=4 2155 B7R1.4 C[C@H]1CCCC1=O Amb27640064 [1,1,0,0,0,0|1,0,1]=4 2156 B7R1.4 C[C@H]1CCNC1=O Amb27949295 [1,1,0,0,0,0|1,0,1]=4 2157 B7R1.4 NC1=CCOC1=O Amb22234102 [1,1,0,0,0,0|2,0,0]=4 2158 B7R1.4 NC1CCCC1=O Amb17939050 [1,1,0,0,0,0|1,0,1]=4 2159 B7R1.4 NC1CCCC1=O Amb28994832 [1,1,0,0,0,0|1,0,1]=4 2160 B7R1.4 NC1CCNC1=O Amb21955321 [1,1,0,0,0,0|1,0,1]=4 2161 B7R1.4 NC1CCNC1=O Amb6739903 [1,1,0,0,0,0|1,0,1]=4 2162 B7R1.4 NC1CCOC1=O Amb17614991 [1,1,0,0,0,0|0,0,1]=3 2163 B7R1.4 NC1CCOC1=O Amb6609049 [1,1,0,0,0,0|0,0,1]=3 2164 B7R1.4 NC1CCOC1=O Amb9761351 [1,1,0,0,0,0|0,0,1]=3 2165 B7R1.4 NC1CCSC1=O Amb1151877 [1,1,0,0,0,0|0,1,1]=4 2166 B7R1.4 NC1CCSC1=O Amb2720274 [1,1,0,0,0,0|0,1,1]=4 2167 B7R1.4 NC1COCC1=O Amb18202885 [1,1,0,0,0,0|2,0,0]=4 2168 B7R1.4 NC1COCC1=O Amb33328736 [1,1,0,0,0,0|2,0,0]=4 2169 B7R1.4 NC1CONC1=O Amb1865548 [1,1,0,0,0,0|2,0,0]=4 2170 B7R1.4 NC1CSCC1=O Amb18202693 [1,1,0,0,0,0|2,0,0]=4 2171 B7R1.4 NC1CSNC1=O Amb27435893 [1,1,0,0,0,0|2,0,0]=4 2172 B7R1.4 NN1CCCC1=O Amb8496496 [1,1,0,0,0,0|1,0,1]=4 2173 B7R1.4 NN1CCCC1=O Amb9174227 [1,1,0,0,0,0|1,0,1]=4 2174 B7R1.4 NN1CCOC1=O Amb10068971 [1,1,0,0,0,0|1,0,1]=4 2175 B7R1.4 NN1CCOC1=O Amb33532698 [1,1,0,0,0,0|1,0,1]=4 2176 B7R1.4 N[C@@H]1CCNC1=O Amb19515791 [1,1,0,0,0,0|1,0,1]=4 2177 B7R1.4 N[C@@H]1CCNC1=O Amb22745816 [1,1,0,0,0,0|1,0,1]=4 2178 B7R1.4 N[C@@H]1CCOC1=O Amb10601656 [1,1,0,0,0,0|0,0,1]=3 2179 B7R1.4 N[C@@H]1CCOC1=O Amb22745863 [1,1,0,0,0,0|0,0,1]=3 2180 B7R1.4 N[C@@H]1CCOC1=O Amb3941712 [1,1,0,0,0,0|0,0,1]=3 2181 B7R1.4 N[C@@H]1CONC1=O Amb533888 [1,1,0,0,0,0|2,0,0]=4 2182 B7R1.4 N[C@H]1CCNC1=O Amb19887769 [1,1,0,0,0,0|1,0,1]=4 2183 B7R1.4 N[C@H]1CCNC1=O Amb23385346 [1,1,0,0,0,0|1,0,1]=4 2184 B7R1.4 N[C@H]1CCOC1=O Amb10982617 [1,1,0,0,0,0|0,0,1]=3 2185 B7R1.4 N[C@H]1CCOC1=O Amb541960 [1,1,0,0,0,0|0,0,1]=3 2186 B7R1.4 N[C@H]1CCOC1=O Amb5718691 [1,1,0,0,0,0|0,0,1]=3 2187 B7R1.4 N[C@H]1CCSC1=O Amb22362833 [1,1,0,0,0,0|0,1,1]=4 2188 B7R1.4 N[C@H]1CCSC1=O Amb33758042 [1,1,0,0,0,0|0,1,1]=4 2189 B7R1.4 N[C@H]1CCSC1=O Amb8628572 [1,1,0,0,0,0|0,1,1]=4 2190 B7R1.4 N[C@H]1CNOC1=O Amb27778477 [1,1,0,0,0,0|1,0,0]=3 2191 B7R1.4 N[C@H]1CONC1=O Amb2719694 [1,1,0,0,0,0|2,0,0]=4 2192 B7R1.4 O=C1C=CCC1Cl Amb27482393 [1,1,0,0,0,0|1,0,0]=3 2193 B7R1.4 O=C1C=CCN1O Amb28255915 [1,1,0,0,0,0|2,0,0]=4 2194 B7R1.4 O=C1C=COC1O Amb27638452 [1,1,0,0,0,0|2,0,0]=4 2195 B7R1.4 O=C1CCC=C1Br Amb10067494 [1,1,0,0,0,0|1,0,0]=3 2196 B7R1.4 O=C1CCC=C1I Amb26585706 [1,1,0,0,0,0|1,0,0]=3 2197 B7R1.4 O=C1CCC=C1O Amb17593067 [1,1,0,0,0,0|1,0,0]=3 2198 B7R1.4 O=C1CCCC1=O Amb24053064 [1,1,0,0,0,0|1,0,1]=4 2199 B7R1.4 O=C1CCCC1Br Amb16234114 [1,1,0,0,0,0|1,0,1]=4 2200 B7R1.4 O=C1CCCC1Cl Amb3939970 [1,1,0,0,0,0|1,0,1]=4 2201 B7R1.4 O=C1CCCC1F Amb28050533 [1,1,0,0,0,0|1,0,1]=4 2202 B7R1.4 O=C1CCCC1I Amb25756212 [1,1,0,0,0,0|1,0,1]=4 2203 B7R1.4 O=C1CCCC1O Amb17593081 [1,1,0,0,0,0|1,0,1]=4 2204 B7R1.4 O=C1CCCC1S Amb27838260 [1,1,0,0,0,0|1,0,1]=4 2205 B7R1.4 O=C1CCCN1O Amb33484242 [1,1,0,0,0,0|1,0,1]=4 2206 B7R1.4 O=C1CCC[C@@H]1F Amb35788466 [1,1,0,0,0,0|1,0,1]=4 2207 B7R1.4 O=C1CCC[C@H]1F Amb25834416 [1,1,0,0,0,0|1,0,1]=4 2208 B7R1.4 O=C1CCNC1=O Amb21858086 [1,1,0,0,0,0|2,0,0]=4 2209 B7R1.4 O=C1CCOC1=O Amb27849805 [1,1,0,0,0,0|0,0,2]=4 2210 B7R1.4 O=C1CNC=C1O Amb27962752 [1,1,0,0,0,0|2,0,0]=4 2211 B7R1.4 O=C1COC=C1O Amb27838226 [1,1,0,0,0,0|2,0,0]=4 2212 B7R1.4 O=C1NCCC1Br Amb20623055 [1,1,0,0,0,0|1,0,1]=4 2213 B7R1.4 O=C1NCCC1Cl Amb28050511 [1,1,0,0,0,0|1,0,1]=4 2214 B7R1.4 O=C1NCCC1F Amb25838145 [1,1,0,0,0,0|1,0,1]=4 2215 B7R1.4 O=C1NCCC1O Amb10603089 [1,1,0,0,0,0|1,0,1]=4 2216 B7R1.4 O=C1NCCC1S Amb18202686 [1,1,0,0,0,0|1,0,1]=4 2217 B7R1.4 O=C1NCC[C@@H]1O Amb10603274 [1,1,0,0,0,0|1,0,1]=4 2218 B7R1.4 O=C1NCC[C@H]1O Amb22225343 [1,1,0,0,0,0|1,0,1]=4 2219 B7R1.4 O=C1OC=CC1Br Amb22015332 [1,1,0,0,0,0|0,0,1]=3 2220 B7R1.4 O=C1OC=CC1S Amb27624883 [1,1,0,0,0,0|0,0,1]=3 2221 B7R1.4 O=C1OC=C[C@@H]1O Amb27472742 [1,1,0,0,0,0|0,0,1]=3 2222 B7R1.4 O=C1OCC=C1Br Amb10067498 [1,1,0,0,0,0|2,0,0]=4 2223 B7R1.4 O=C1OCC=C1Cl Amb23571857 [1,1,0,0,0,0|2,0,0]=4 2224 B7R1.4 O=C1OCC=C1F Amb28144969 [1,1,0,0,0,0|2,0,0]=4 2225 B7R1.4 O=C1OCCC1Br Amb3940058 [1,1,0,0,0,0|0,0,1]=3 2226 B7R1.4 O=C1OCCC1F Amb27642041 [1,1,0,0,0,0|0,0,1]=3 2227 B7R1.4 O=C1OCCC1I Amb24418518 [1,1,0,0,0,0|0,0,1]=3 2228 B7R1.4 O=C1OCCC1O Amb5718058 [1,1,0,0,0,0|0,0,1]=3 2229 B7R1.4 O=C1OCCC1S Amb25146639 [1,1,0,0,0,0|0,0,1]=3 2230 B7R1.4 O=C1OCC[C@@H]1O Amb3939677 [1,1,0,0,0,0|0,0,1]=3 2231 B7R1.4 O=C1OCC[C@H]1Br Amb27407127 [1,1,0,0,0,0|0,0,1]=3 2232 B7R1.4 O=C1OCC[C@H]1Cl Amb28207894 [1,1,0,0,0,0|0,0,1]=3 2233 B7R1.4 O=C1OCC[C@H]1O Amb3939679 [1,1,0,0,0,0|0,0,1]=3 2234 B7R1.4 O=C1OCC[C@H]1S Amb27862288 [1,1,0,0,0,0|0,0,1]=3 2235 B7R1.4 O=C1OCNC1Br Amb25299209 [1,1,0,0,0,0|1,0,1]=4 2236 B7R1.4 O=C1SCC=C1Br Amb27462381 [1,1,0,0,0,0|2,0,0]=4 2237 B7R1.4 O=C1SCC[C@@H]1Br Amb27482200 [1,1,0,0,0,0|0,1,1]=4 2238 B7R1.4 [NH3+]C1CCSC1=O Amb22045205 [1,1,0,0,0,0|0,1,1]=4 2239 B7R1.4 [NH3+]C1CCSC1=O Amb24112879 [1,1,0,0,0,0|0,1,1]=4 2240 B7R1.14 CP1(=O)C=CCC1 Amb27833507 [1,1,0,0,0,0|2,0,0]=4 2241 B7R1.14 O=P1(F)C=CCC1 Amb35789660 [1,1,0,0,0,0|2,0,0]=4 2242 B7R1.14 O=S1(=O)C=CCC1 Amb1099221 [1,1,0,0,0,0|2,0,0]=4 2243 B7R1.14 O=S1(=O)CCC=N1 Amb21964374 [1,1,0,0,0,0|2,0,0]=4 2244 B7R1.14 O=S1(=O)CCCO1 Amb6608684 [1,1,0,0,0,0|1,0,1]=4 2245 B7R1.8 CCC1CCC1=O Amb28137082 [0,1,0,0,1,0|1,0,1]=4 2246 B7R1.8 COC1CCC1=O Amb22896543 [0,1,0,0,1,0|0,0,2]=4 2247 B7R1.8 CSC1CCC1=O Amb26054103 [0,1,0,0,1,0|0,1,1]=4 2248 B7R1.8 C\C=C1\CCC1=O Amb24512730 [0,1,0,0,1,0|1,0,0]=3 2249 B7R1.8 O=C1CCC1CBr Amb24633095 [0,1,0,0,1,0|1,0,1]=4 2250 B7R1.8 O=C1CCC1CCl Amb28197139 [0,1,0,0,1,0|1,0,1]=4 2251 B7R1.8 O=C1CCC1CO Amb24722181 [0,1,0,0,1,0|0,0,2]=4 2252 B7R1.8 O=C1CCN1CBr Amb28137960 [0,1,0,0,1,0|2,0,0]=4 2253 B7R1.8 O=C1CCN1CO Amb28207292 [0,1,0,0,1,0|1,0,1]=4 2254 B7R1.8 O=CC1=C(Cl)CC1 Amb28050115 [0,1,0,0,1,0|1,0,0]=3 2255 B7R1.8 O=CC1=CCC1=O Amb27256480 [0,1,0,0,1,0|0,0,1]=3 2256 B7R1.15 C=C1C(=O)NC1C Amb28350835 [0,1,0,0,1,0|2,0,0]=4 2257 B7R1.15 CC1=C(C)C(=O)C1 Amb27226738 [0,1,0,0,1,0|1,0,1]=4 2258 B7R1.15 CC1=C(N)CC1=O Amb27975652 [0,1,0,0,1,0|1,0,1]=4 2259 B7R1.15 CC1=C(O)CC1=O Amb27838185 [0,1,0,0,1,0|1,0,1]=4 2260 B7R1.15 CC1C(=O)CC1O Amb28423178 [0,1,0,0,1,0|1,0,1]=4 2261 B7R1.15 CC1CC(=O)C1C Amb33551302 [0,1,0,0,1,0|1,0,1]=4 2262 B7R1.15 CC1CN(N)C1=O Amb24479155 [0,1,0,0,1,0|2,0,0]=4 2263 B7R1.15 CN1CC(N)C1=O Amb25314708 [0,1,0,0,1,0|2,0,0]=4 2264 B7R1.15 CN1C[C@@H](N)C1=O Amb34137166 [0,1,0,0,1,0|2,0,0]=4 2265 B7R1.15 CN1C[C@H](N)C1=O Amb24746774 [0,1,0,0,1,0|2,0,0]=4 2266 B7R1.15 C[C@@H]1C(=O)C[C@H]1C Amb27865634 [0,1,0,0,1,0|1,0,1]=4 2267 B7R1.15 C[C@H]1CC(=O)[C@@H]1C Amb27433516 [0,1,0,0,1,0|1,0,1]=4 2268 B7R1.15 C[C@H]1CC(=O)[C@H]1C Amb27788507 [0,1,0,0,1,0|1,0,1]=4 2269 B7R1.15 O=C1C=C(O)C1=O Amb22171298 [0,1,0,0,1,0|0,0,2]=4 2270 B7R1.17 CC1(C)CCC1=O Amb28050382 [0,1,0,0,1,0|1,0,1]=4 2271 B7R1.10 COC1=CC(=O)C1 Amb25092069 [0,1,0,0,1,0|1,0,1]=4 2272 B7R1.10 O=C1CC(CBr)O1 Amb26981027 [0,1,0,0,1,0|1,0,1]=4 2273 B7R1.10 O=C1CC(CCl)O1 Amb28322279 [0,1,0,0,1,0|1,0,1]=4 2274 B7R1.16 CC1(C)CC(=O)O1 Amb17940813 [0,1,0,0,1,0|1,0,1]=4 2275 B7R1.16 O=C1CC(Cl)(Cl)O1 Amb28120599 [0,1,0,0,1,0|1,0,1]=4 2276 B7R1.16 O=C1CS(=O)(=O)C1 Amb22756924 [0,1,0,0,1,0|2,0,0]=4 2277 B9R1.1 C#CC1=CCC(=O)CC1 Amb28249288 [0,1,0,0,0,1|2,0,0]=4 2278 B9R1.1 CC=C1CCC(=O)CC1 Amb28129794 [0,1,0,0,0,1|2,0,0]=4 2279 B9R1.1 COC1CCC(=O)CO1 Amb27265592 [0,1,0,0,0,1|0,0,2]=4 2280 B9R1.1 CO[C@@H]1CCC(=O)CO1 Amb27659850 [0,1,0,0,0,1|0,0,2]=4 2281 B9R1.1 N#CC1=CCC(=O)CC1 Amb27588804 [0,1,0,0,0,1|2,0,0]=4 2282 B9R1.1 NNC1=NNC(=O)CC1 Amb28285103 [0,1,0,0,0,1|2,0,0]=4 2283 B9R1.1 O=C1CC=C(CO)CC1 Amb28253672 [0,1,0,0,0,1|1,0,1]=4 2284 B9R1.1 O=C1CC\C(=N/O)CN1 Amb27168983 [0,1,0,0,0,1|1,0,1]=4 2285 B9R1.1 O=CC1=CNC(=O)NC1 Amb27455585 [0,1,0,0,0,1|2,0,0]=4 2286 B9R1.1 O=CC1CCC(=O)CC1 Amb8385725 [0,1,0,0,0,1|1,0,1]=4 2287 B9R1.1 O=CN1CCC(=O)CC1 Amb33545539 [0,1,0,0,0,1|2,0,0]=4 2288 B9R1.10 CC1(C)CCC(=O)OC1 Amb28120623 [0,1,0,0,0,1|1,0,1]=4 2289 B9R1.10 CP1(=O)CCC(=O)CC1 Amb26489398 [0,1,0,0,0,1|2,0,0]=4 2290 B9R1.10 N=S1(=O)CCC(=O)CC1 Amb28315233 [0,1,0,0,0,1|2,0,0]=4 2291 B9R1.10 O=C1C=CS(=O)(=O)CC1 Amb25684660 [0,1,0,0,0,1|2,0,0]=4 2292 B9R1.10 O=C1CCP(=O)(O)CC1 Amb27838625 [0,1,0,0,0,1|2,0,0]=4 2293 B9R1.10 O=C1CCS(=O)(=O)CC1 Amb6358719 [0,1,0,0,0,1|2,0,0]=4 2294 B9R1.69 C=C1CCC(=O)NC1=O Amb26600967 [0,1,0,0,0,1|2,0,0]=4 2295 B9R1.69 C=C1NC(=O)CNC1=O Amb24515642 [0,1,0,0,0,1|2,0,0]=4 2296 B9R1.69 CC1=C(C)NC(=O)CC1 Amb8394546 [0,1,0,0,0,1|2,0,0]=4 2297 B9R1.69 CC1=C(N)CCC(=O)N1 Amb27169262 [0,1,0,0,0,1|2,0,0]=4 2298 B9R1.69 CC1=CC(=O)CCC1=O Amb28455194 [0,1,0,0,0,1|1,0,0]=3 2299 B9R1.69 CC1=CCC(=O)C[C@@H]1C Amb27434226 [0,1,0,0,0,1|2,0,0]=4 2300 B9R1.69 CC1=NNC(=O)CC1C Amb33611535 [0,1,0,0,0,1|2,0,0]=4 2301 B9R1.69 CC1=N[C@@H](C)C(=O)OC1 Amb27656381 [0,1,0,0,0,1|2,0,0]=4 2302 B9R1.69 CC1CC(=O)C=CC1=O Amb27750328 [0,1,0,0,0,1|1,0,0]=3 2303 B9R1.69 CC1CC(=O)CCS1=O Amb28461149 [0,1,0,0,0,1|2,0,0]=4 2304 B9R1.69 CC1CC(=O)OCC1O Amb27956456 [0,1,0,0,0,1|0,0,2]=4 2305 B9R1.69 CC1CCC(=O)OC1=O Amb24117247 [0,1,0,0,0,1|1,0,1]=4 2306 B9R1.69 CC1NC(=O)CCC1=O Amb27874094 [0,1,0,0,0,1|1,0,0]=3 2307 B9R1.69 CC1NC(=O)CNC1=O Amb24477892 [0,1,0,0,0,1|2,0,0]=4 2308 B9R1.69 CC1NC(=O)COC1=O Amb20669551 [0,1,0,0,0,1|1,0,0]=3 2309 B9R1.69 CC1OC(=O)C=CC1=O Amb27948593 [0,1,0,0,0,1|0,0,2]=4 2310 B9R1.69 CC1OC(=O)CCC1Br Amb27875143 [0,1,0,0,0,1|1,0,1]=4 2311 B9R1.69 CC1OC(=O)COC1=O Amb27421415 [0,1,0,0,0,1|1,0,0]=3 2312 B9R1.69 CN1CC(=O)CCC1=O Amb23555663 [0,1,0,0,0,1|1,0,0]=3 2313 B9R1.69 CN1CC(=O)NCC1=O Amb24271107 [0,1,0,0,0,1|2,0,0]=4 2314 B9R1.69 C[C@@H]1NC(=O)CNC1=O Amb22233064 [0,1,0,0,0,1|2,0,0]=4 2315 B9R1.69 C[C@@H]1NC(=O)COC1=O Amb28059067 [0,1,0,0,0,1|1,0,0]=3 2316 B9R1.69 C[C@@H]1OC(O)CCC1=O Amb28351368 [0,1,0,0,0,1|0,0,2]=4 2317 B9R1.69 C[C@H]1COC(=O)C[C@@H]1O Amb27853905 [0,1,0,0,0,1|1,0,1]=4 2318 B9R1.69 C[C@H]1C[C@@H](C)COC1=O Amb27251551 [0,1,0,0,0,1|1,0,1]=4 2319 B9R1.69 C[C@H]1NC(=O)CNC1=O Amb25726602 [0,1,0,0,0,1|2,0,0]=4 2320 B9R1.69 C[C@H]1OC(=O)C=CC1=O Amb28351021 [0,1,0,0,0,1|0,0,2]=4 2321 B9R1.69 N=C1CC(=O)NNC1=O Amb27392548 [0,1,0,0,0,1|1,0,1]=4 2322 B9R1.69 NC1=NC(=O)NCC1=O Amb21963698 [0,1,0,0,0,1|2,0,0]=4 2323 B9R1.69 NC1CCC(=O)OC1=O Amb27838431 [0,1,0,0,0,1|1,0,1]=4 2324 B9R1.69 O=C1C=CC(=O)C(O)C1 Amb27191875 [0,1,0,0,0,1|1,0,0]=3 2325 B9R1.69 O=C1C=CC(=O)N(O)C1 Amb27227026 [0,1,0,0,0,1|2,0,0]=4 2326 B9R1.69 O=C1CCC(=O)C(Br)C1 Amb25775016 [0,1,0,0,0,1|1,0,0]=3 2327 B9R1.69 O=C1CCC(=O)C(Cl)C1 Amb24452362 [0,1,0,0,0,1|1,0,0]=3 2328 B9R1.69 O=C1CCC(=O)N(P)C1 Amb25854386 [0,1,0,0,0,1|1,0,0]=3 2329 B9R1.69 O=C1CCC(Br)C(=O)O1 Amb25680134 [0,1,0,0,0,1|1,0,1]=4 2330 B9R1.69 O=C1CCS(=O)CC1O Amb29847922 [0,1,0,0,0,1|2,0,0]=4 2331 B9R1.69 O=C1CNC(=O)C(=O)N1 Amb22263199 [0,1,0,0,0,1|2,0,0]=4 2332 B9R1.69 O=C1CNC(=O)C(Br)N1 Amb26341108 [0,1,0,0,0,1|2,0,0]=4 2333 B9R1.69 O=C1CNC(=O)C(O)N1 Amb27204459 [0,1,0,0,0,1|2,0,0]=4 2334 B9R1.2 C#CC1=CC(=O)CCC1 Amb27838728 [0,1,0,0,0,1|2,0,0]=4 2335 B9R1.2 C=C1C=C(C=O)CCC1 Amb27955260 [0,1,0,0,0,1|2,0,0]=4 2336 B9R1.2 C=CC1=CC(=O)CCC1 Amb25134896 [0,1,0,0,0,1|2,0,0]=4 2337 B9R1.2 C=CC1=CCCC(=O)N1 Amb28067811 [0,1,0,0,0,1|2,0,0]=4 2338 B9R1.2 CC1=CCCC(C=O)O1 Amb27796530 [0,1,0,0,0,1|1,0,1]=4 2339 B9R1.2 CCC1=CC(=O)CCC1 Amb27599813 [0,1,0,0,0,1|2,0,0]=4 2340 B9R1.2 CCC1=CC(=O)CCN1 Amb27595544 [0,1,0,0,0,1|2,0,0]=4 2341 B9R1.2 CCC1=CC(=O)CSC1 Amb27838665 [0,1,0,0,0,1|2,0,0]=4 2342 B9R1.2 CCC1CCCC(=O)O1 Amb27242548 [0,1,0,0,0,1|1,0,1]=4 2343 B9R1.2 CNC1=CC(=O)CCC1 Amb2386653 [0,1,0,0,0,1|2,0,0]=4 2344 B9R1.2 COC1=CC(=O)CCC1 Amb19930192 [0,1,0,0,0,1|1,0,1]=4 2345 B9R1.2 COC1=CC(=O)NCC1 Amb27174359 [0,1,0,0,0,1|1,0,1]=4 2346 B9R1.2 COC1=CC(=O)SCC1 Amb27438098 [0,1,0,0,0,1|1,0,1]=4 2347 B9R1.2 CSC1=NC(=O)CCN1 Amb27778665 [0,1,0,0,0,1|1,1,0]=4 2348 B9R1.2 C\C=C1/CCOC(=O)N1 Amb27482030 [0,1,0,0,0,1|2,0,0]=4 2349 B9R1.2 N\N=C1/CCSC(=O)N1 Amb27168996 [0,1,0,0,0,1|2,0,0]=4 2350 B9R1.2 O=C1C=C(CCl)CCC1 Amb27882739 [0,1,0,0,0,1|2,0,0]=4 2351 B9R1.2 O=C1C=C(CO)CCC1 Amb27843949 [0,1,0,0,0,1|1,0,1]=4 2352 B9R1.2 O=C1CCCC(CBr)O1 Amb28325542 [0,1,0,0,0,1|1,0,1]=4 2353 B9R1.2 O=C1CCCC(CO)O1 Amb27980552 [0,1,0,0,0,1|0,0,2]=4 2354 B9R1.2 O=C1CCC\C(=N/O)C1 Amb27756076 [0,1,0,0,0,1|1,0,1]=4 2355 B9R1.2 O=C1CCC\C(=N/O)N1 Amb26654206 [0,1,0,0,0,1|1,0,1]=4 2356 B9R1.2 O=C1CSC\C(=N/O)C1 Amb27222200 [0,1,0,0,0,1|1,0,1]=4 2357 B9R1.2 O=C1C\C(=N/O)CCN1 Amb22741023 [0,1,0,0,0,1|1,0,1]=4 2358 B9R1.2 O=C1C\C(=N\O)CCN1 Amb24696069 [0,1,0,0,0,1|1,0,1]=4 2359 B9R1.2 O=C1N=C(NO)CCN1 Amb27960301 [0,1,0,0,0,1|1,0,1]=4 2360 B9R1.2 O=CC1=CC=CC(=O)O1 Amb27481476 [0,1,0,0,0,1|0,0,2]=4 2361 B9R1.2 O=CC1CC=CC(=O)O1 Amb18642367 [0,1,0,0,0,1|0,0,2]=4 2362 B9R1.2 O=CN1CCCC(=O)C1 Amb27595139 [0,1,0,0,0,1|2,0,0]=4 2363 B9R1.2 [N-]=[N+]=C1CCCC(=O)C1 Amb17593275 [0,1,0,0,0,1|2,0,0]=4 2364 B9R1.3 CC1=C(Br)CCNC1=O Amb28128472 [0,1,0,0,0,1|2,0,0]=4 2365 B9R1.3 CC1=C(C)C(=O)CCC1 Amb17593288 [0,1,0,0,0,1|2,0,0]=4 2366 B9R1.3 CC1=C(C)C(=O)NCC1 Amb26025701 [0,1,0,0,0,1|2,0,0]=4 2367 B9R1.3 CC1=C(Cl)CCCC1=O Amb4036614 [0,1,0,0,0,1|2,0,0]=4 2368 B9R1.3 CC1=C(N)CCCC1=O Amb27798039 [0,1,0,0,0,1|2,0,0]=4 2369 B9R1.3 CC1=C(O)C(=O)CCO1 Amb24736224 [0,1,0,0,0,1|2,0,0]=4 2370 B9R1.3 CC1=C(O)CCCC1=O Amb25147218 [0,1,0,0,0,1|1,0,1]=4 2371 B9R1.3 CC1C(=O)CCCC1=O Amb3993683 [0,1,0,0,0,1|1,0,0]=3 2372 B9R1.3 CC1C(=O)CCNC1=O Amb25220145 [0,1,0,0,0,1|1,0,0]=3 2373 B9R1.3 CC1C(=O)CSCC1=O Amb27199104 [0,1,0,0,0,1|1,0,0]=3 2374 B9R1.3 CN1C(=O)C=CCC1=O Amb27485739 [0,1,0,0,0,1|1,0,1]=4 2375 B9R1.3 CN1C(=O)CCCC1=O Amb22757472 [0,1,0,0,0,1|1,0,0]=3 2376 B9R1.3 CN1C(=O)CCNC1=O Amb26628800 [0,1,0,0,0,1|1,0,0]=3 2377 B9R1.3 CN1C(=O)CCNC1=S Amb27478284 [0,1,0,0,0,1|1,1,0]=4 2378 B9R1.3 CN1C(=O)CNCC1=O Amb17334097 [0,1,0,0,0,1|1,0,0]=3 2379 B9R1.3 CN1C(=O)CNCC1=O Amb32412577 [0,1,0,0,0,1|1,0,0]=3 2380 B9R1.3 CN1C(=O)CNCC1=O Amb33249619 [0,1,0,0,0,1|1,0,0]=3 2381 B9R1.3 CN1C(=O)NCCC1=S Amb27458995 [0,1,0,0,0,1|1,1,0]=4 2382 B9R1.3 O=C1CCCC(=O)C1=O Amb27838803 [0,1,0,0,0,1|1,0,0]=3 2383 B9R1.3 O=C1CCCC(=O)C1Br Amb33527290 [0,1,0,0,0,1|1,0,0]=3 2384 B9R1.3 O=C1CCCC(=O)C1Cl Amb25726716 [0,1,0,0,0,1|1,0,0]=3 2385 B9R1.3 O=C1CCCC(=O)N1Br Amb4015558 [0,1,0,0,0,1|1,0,0]=3 2386 B9R1.3 O=C1CCCC(Cl)=C1Cl Amb24736273 [0,1,0,0,0,1|2,0,0]=4 2387 B9R1.3 O=C1CCCC(O)=C1Cl Amb2724553 [0,1,0,0,0,1|1,0,1]=4 2388 B9R1.3 O=C1CCCC(O)=C1F Amb27599391 [0,1,0,0,0,1|1,0,1]=4 2389 B9R1.3 O=C1CCCC(O)=C1I Amb31291506 [0,1,0,0,0,1|1,0,1]=4 2390 B9R1.34 C=C1CC(=O)NC(=O)C1 Amb27437919 [0,1,0,0,0,1|1,0,0]=3 2391 B9R1.34 CC1=CC(=O)CC(=O)O1 Amb17778431 [0,1,0,0,0,1|1,0,1]=4 2392 B9R1.34 CC1=CC(=O)CC(C)C1 Amb4605909 [0,1,0,0,0,1|2,0,0]=4 2393 B9R1.34 CC1=CC(=O)CC(C)O1 Amb25267464 [0,1,0,0,0,1|2,0,0]=4 2394 B9R1.34 CC1=CC(=O)NC(C)C1 Amb27852830 [0,1,0,0,0,1|2,0,0]=4 2395 B9R1.34 CC1=CC(=O)OC(=O)C1 Amb17673901 [0,1,0,0,0,1|0,0,1]=3 2396 B9R1.34 CC1=CC(=O)OC(=O)N1 Amb21880405 [0,1,0,0,0,1|0,0,2]=4 2397 B9R1.34 CC1=CC(C)CC(=O)C1 Amb26515881 [0,1,0,0,0,1|2,0,0]=4 2398 B9R1.34 CC1=CC(C)CC(=O)O1 Amb27812237 [0,1,0,0,0,1|1,0,0]=3 2399 B9R1.34 CC1=CC(O)CC(=O)O1 Amb16231305 [0,1,0,0,0,1|1,0,0]=3 2400 B9R1.34 CC1CC(=O)C=C(Cl)C1 Amb7094066 [0,1,0,0,0,1|2,0,0]=4 2401 B9R1.34 CC1CC(=O)C=C(N)C1 Amb7094072 [0,1,0,0,0,1|2,0,0]=4 2402 B9R1.34 CC1CC(=O)CC(=O)C1 Amb772649 [0,1,0,0,0,1|1,0,0]=3 2403 B9R1.34 CC1CC(=O)CC(=O)N1 Amb22750293 [0,1,0,0,0,1|1,0,0]=3 2404 B9R1.34 CC1CC(=O)CC(=O)O1 Amb24422515 [0,1,0,0,0,1|1,0,0]=3 2405 B9R1.34 CC1CC(=O)NC(=O)C1 Amb17940391 [0,1,0,0,0,1|1,0,0]=3 2406 B9R1.34 CC1CC(=O)NC(=O)N1 Amb2196506 [0,1,0,0,0,1|1,0,0]=3 2407 B9R1.34 CC1CC(=O)NC(=O)S1 Amb27636402 [0,1,0,0,0,1|1,0,0]=3 2408 B9R1.34 CC1CC(=O)NC(=S)S1 Amb27622206 [0,1,0,0,0,1|1,1,0]=4 2409 B9R1.34 CC1CC(=O)NC(S)=N1 Amb5716287 [0,1,0,0,0,1|1,1,0]=4 2410 B9R1.34 CC1CC(=O)OC(=O)C1 Amb534202 [0,1,0,0,0,1|0,0,0]=2 2411 B9R1.34 CC1CC(=O)OC(=O)N1 Amb28285254 [0,1,0,0,0,1|0,0,0]=2 2412 B9R1.34 CC1CC(O)=CC(=O)O1 Amb22347797 [0,1,0,0,0,1|1,0,1]=4 2413 B9R1.34 CC1CC(O)CC(=O)O1 Amb23455145 [0,1,0,0,0,1|1,0,1]=4 2414 B9R1.34 CN1CC(=O)C=C(O)C1 Amb27604418 [0,1,0,0,0,1|1,0,1]=4 2415 B9R1.34 CN1CC(=O)CC(=O)C1 Amb22802168 [0,1,0,0,0,1|1,0,0]=3 2416 B9R1.34 CN1CC(=O)NC(=O)C1 Amb449715 [0,1,0,0,0,1|1,0,0]=3 2417 B9R1.34 CN1CC(=O)OC(=O)C1 Amb24673917 [0,1,0,0,0,1|0,0,0]=2 2418 B9R1.34 C[C@H]1CC(=O)CC(=O)N1 Amb27168280 [0,1,0,0,0,1|1,0,0]=3 2419 B9R1.34 NC1=CC(=O)NC(=O)C1 Amb24560228 [0,1,0,0,0,1|1,0,1]=4 2420 B9R1.34 NC1CC(=O)NC(=O)C1 Amb30869723 [0,1,0,0,0,1|1,0,0]=3 2421 B9R1.34 NC1CC(=O)NC(=O)C1 Amb6261880 [0,1,0,0,0,1|1,0,0]=3 2422 B9R1.34 O=C1C=C(Cl)NC(=O)O1 Amb27793062 [0,1,0,0,0,1|0,0,2]=4 2423 B9R1.34 O=C1C=C(O)CC(=O)N1 Amb27410873 [0,1,0,0,0,1|1,0,1]=4 2424 B9R1.34 O=C1C=C(O)CC(=O)O1 Amb25689610 [0,1,0,0,0,1|0,0,1]=3 2425 B9R1.34 O=C1CC(=O)CC(O)C1 Amb27838801 [0,1,0,0,0,1|1,0,0]=3 2426 B9R1.34 O=C1CC(=O)CS(=O)C1 Amb27599003 [0,1,0,0,0,1|1,0,0]=3 2427 B9R1.34 O=C1CC(=O)NC(=O)C1 Amb18832704 [0,1,0,0,0,1|1,0,0]=3 2428 B9R1.34 O=C1CC(=O)NC(=O)N1 Amb1950564 [0,1,0,0,0,1|1,0,1]=4 2429 B9R1.34 O=C1CC(=S)NC(=O)N1 Amb19747778 [0,1,0,0,0,1|1,0,1]=4 2430 B9R1.66 CC1(C)CCCC(=O)O1 Amb25863489 [0,1,0,0,0,1|1,0,1]=4 2431 B9R1.66 CC1(C)CNCC(=O)O1 Amb28122961 [0,1,0,0,0,1|1,0,1]=4 2432 B9R1.66 CS1(=O)=NC(=O)NCC1 Amb33803183 [0,1,0,0,0,1|2,0,0]=4 2433 B9R1.66 C[Si]1(C)CCCC(=O)O1 Amb27845166 [0,1,0,0,0,1|1,1,0]=4 2434 B9R1.66 O=C1CCCS(=O)(=O)C1 Amb13953230 [0,1,0,0,0,1|2,0,0]=4 2435 B9R1.66 O=C1CCCS(=O)(=O)N1 Amb10070303 [0,1,0,0,0,1|2,0,0]=4 2436 B9R1.66 O=C1CS(=O)(=O)CCN1 Amb21912472 [0,1,0,0,0,1|2,0,0]=4 2437 B9R1.66 O=C1NCCS(=O)(=O)N1 Amb26633129 [0,1,0,0,0,1|2,0,0]=4 2438 B9R1.7 C=CCC1=CC(=O)CC1 Amb28396895 [0,2,0,0,0,0|2,0,0]=4 2439 B9R1.7 C=C\C=C1\CCC(=O)N1 Amb26642001 [0,2,0,0,0,0|2,0,0]=4 2440 B9R1.7 C=C\C=C1\CCC(=O)O1 Amb27488468 [0,2,0,0,0,0|1,0,0]=3 2441 B9R1.7 CC1=C\C(=C\C=O)CC1 Amb27792975 [0,2,0,0,0,0|2,0,0]=4 2442 B9R1.7 CCCC1=CC(=O)CC1 Amb25337676 [0,2,0,0,0,0|2,0,0]=4 2443 B9R1.7 CCCC1CCC(=O)O1 Amb8517544 [0,2,0,0,0,0|1,0,1]=4 2444 B9R1.7 CCC[C@H]1CCC(=O)O1 Amb28397464 [0,2,0,0,0,0|1,0,1]=4 2445 B9R1.7 CCOC1=CC(=O)CC1 Amb21984008 [0,2,0,0,0,0|1,0,1]=4 2446 B9R1.7 CCOC1=CCC(=O)O1 Amb22001902 [0,2,0,0,0,0|0,0,2]=4 2447 B9R1.7 CCOC1=NC(=O)CC1 Amb28385432 [0,2,0,0,0,0|1,0,1]=4 2448 B9R1.7 CCOC1CCC(=O)O1 Amb24117269 [0,2,0,0,0,0|0,0,2]=4 2449 B9R1.7 CNCC1CCC(=O)O1 Amb28326084 [0,2,0,0,0,0|1,0,1]=4 2450 B9R1.7 CNC[C@@H]1CCC(=O)O1 Amb27848226 [0,2,0,0,0,0|1,0,1]=4 2451 B9R1.7 COCC1=CC(=O)CC1 Amb27754476 [0,2,0,0,0,0|1,0,1]=4 2452 B9R1.7 COCC1CCC(=O)O1 Amb26558471 [0,2,0,0,0,0|0,0,2]=4 2453 B9R1.7 C[NH2+]C[C@@H]1CCC(=O)O1 Amb28464027 [0,2,0,0,0,0|1,0,1]=4 2454 B9R1.7 C\C=C\C1=CCC(=O)O1 Amb26429675 [0,2,0,0,0,0|1,0,1]=4 2455 B9R1.7 N#C\C=C1/CCC(=O)N1 Amb27633911 [0,2,0,0,0,0|2,0,0]=4 2456 B9R1.7 N#C\C=C1\CCC(=O)N1 Amb28122608 [0,2,0,0,0,0|2,0,0]=4 2457 B9R1.7 O=C1CCC(CCBr)O1 Amb27657784 [0,2,0,0,0,0|1,0,1]=4 2458 B9R1.7 O=C1CCC(CCS)O1 Amb28285189 [0,2,0,0,0,0|0,1,1]=4 2459 B9R1.7 O=C1CC[C@H](CCBr)O1 Amb27791548 [0,2,0,0,0,0|1,0,1]=4 2460 B9R1.7 O=CCC1CCC(=O)C1 Amb18642410 [0,2,0,0,0,0|1,0,1]=4 2461 B9R1.7 O=CCC1CCC(=O)O1 Amb27873383 [0,2,0,0,0,0|0,0,1]=3 2462 B9R1.7 O=CC[C@H]1CCC(=O)C1 Amb27961372 [0,2,0,0,0,0|1,0,1]=4 2463 B9R1.7 O=C\C=C1/C=CC(=O)O1 Amb24334582 [0,2,0,0,0,0|0,0,2]=4 2464 B9R1.7 [N-]=[N+]=NC1=CC(=O)CC1 Amb27236246 [0,2,0,0,0,0|2,0,0]=4 2465 B9R1.21 O=CC1CCC(C=O)O1 Amb23455522 [0,2,0,0,0,0|0,0,2]=4 2466 B9R1.21 O=Cc1ccc(C=O)o1 Amb8388343 [0,2,0,0,0,0|0,0,2]=4 2467 B9R1.22 C=C1CN(CC)C(=O)O1 Amb27668935 [0,2,0,0,0,0|2,0,0]=4 2468 B9R1.22 C=CC1CC(=O)OC1=O Amb25861289 [0,2,0,0,0,0|0,0,0]=2 2469 B9R1.22 CC1=C(C=O)OC(=O)O1 Amb28118534 [0,2,0,0,0,0|1,0,1]=4 2470 B9R1.22 CC1CC(=O)OC1CO Amb28049216 [0,2,0,0,0,0|0,0,2]=4 2471 B9R1.22 CC1CC(=O)O[C@@H]1CO Amb27956619 [0,2,0,0,0,0|0,0,2]=4 2472 B9R1.22 CCC1=CC(=O)OC1=O Amb28285157 [0,2,0,0,0,0|0,0,2]=4 2473 B9R1.22 CCC1CC(=O)NC1=O Amb24117084 [0,2,0,0,0,0|1,0,0]=3 2474 B9R1.22 CCC1CC(=O)OC1=O Amb24571652 [0,2,0,0,0,0|0,0,0]=2 2475 B9R1.22 CCC1CC(=O)OC1O Amb27956540 [0,2,0,0,0,0|0,0,2]=4 2476 B9R1.22 CCC1NC(=O)CC1=O Amb18203277 [0,2,0,0,0,0|2,0,0]=4 2477 B9R1.22 CCC1NC(=O)NC1=O Amb1126591 [0,2,0,0,0,0|2,0,0]=4 2478 B9R1.22 CCC1OC(=O)CC1=O Amb27249611 [0,2,0,0,0,0|2,0,0]=4 2479 B9R1.22 CCC1SC(=O)NC1=O Amb10782080 [0,2,0,0,0,0|2,0,0]=4 2480 B9R1.22 CC[C@@H]1NC(=O)NC1=O Amb25146165 [0,2,0,0,0,0|2,0,0]=4 2481 B9R1.22 CC[C@@H]1NC(=O)OC1=O Amb27837741 [0,2,0,0,0,0|1,0,0]=3 2482 B9R1.22 CC[C@@H]1OC(=O)C[C@@H]1O Amb28207149 [0,2,0,0,0,0|1,0,1]=4 2483 B9R1.22 CC[C@H]1NC(=O)NC1=O Amb28325068 [0,2,0,0,0,0|2,0,0]=4 2484 B9R1.22 CC[C@H]1OC(=O)C[C@H]1O Amb28292165 [0,2,0,0,0,0|1,0,1]=4 2485 B9R1.22 CN[C@@H]1CC(=O)O[C@@H]1C Amb27789975 [0,2,0,0,0,0|1,0,1]=4 2486 B9R1.22 COC1=CC(=O)CC1C Amb27449393 [0,2,0,0,0,0|1,0,1]=4 2487 B9R1.22 COC1=CC(=O)OC1=O Amb23556174 [0,2,0,0,0,0|0,0,2]=4 2488 B9R1.22 COC1CC(=O)NC1=O Amb27491448 [0,2,0,0,0,0|1,0,0]=3 2489 B9R1.22 COC1CC(=O)OC1=O Amb27613327 [0,2,0,0,0,0|0,0,0]=2 2490 B9R1.22 CSC1=CC(=O)OC1=O Amb27626238 [0,2,0,0,0,0|0,0,2]=4 2491 B9R1.22 C[C@@H]1CC(=O)O[C@H]1CCl Amb27976633 [0,2,0,0,0,0|1,0,1]=4 2492 B9R1.22 C[C@@H]1CC(=O)O[C@H]1CO Amb28053667 [0,2,0,0,0,0|0,0,2]=4 2493 B9R1.22 C[C@@H]1OC(=O)C[C@@H]1CO Amb27662143 [0,2,0,0,0,0|1,0,1]=4 2494 B9R1.22 C[C@H]1CC(=O)O[C@@H]1CO Amb27450606 [0,2,0,0,0,0|0,0,2]=4 2495 B9R1.22 C\C=C1/CC(=O)NC1=O Amb27424711 [0,2,0,0,0,0|1,0,1]=4 2496 B9R1.22 C\C=C1/NC(=O)OC1=O Amb27961376 [0,2,0,0,0,0|1,0,1]=4 2497 B9R1.22 C\C=C1\NC(=O)OC1=O Amb27842372 [0,2,0,0,0,0|1,0,1]=4 2498 B9R1.22 N#CC1CC(=O)NC1=O Amb27639236 [0,2,0,0,0,0|1,0,0]=3 2499 B9R1.22 N#CC1CC(=O)OC1=O Amb28287816 [0,2,0,0,0,0|0,0,0]=2 2500 B9R1.22 NCC1CC(=O)NC1=O Amb22899269 [0,2,0,0,0,0|1,0,0]=3 2501 B9R1.22 NCC1CC(=O)NC1=O Amb6718275 [0,2,0,0,0,0|1,0,0]=3 2502 B9R1.22 NCC1NC(=O)NC1=O Amb18832575 [0,2,0,0,0,0|2,0,0]=4 2503 B9R1.22 NC[C@@H]1NC(=O)NC1=O Amb27180356 [0,2,0,0,0,0|2,0,0]=4 2504 B9R1.22 NC[C@H]1NC(=O)NC1=O Amb28252348 [0,2,0,0,0,0|2,0,0]=4 2505 B9R1.22 O=C1C=C(CBr)C(=O)O1 Amb24470109 [0,2,0,0,0,0|0,0,2]=4 2506 B9R1.22 O=C1CC(CCl)=C(O)O1 Amb28119148 [0,2,0,0,0,0|0,0,2]=4 2507 B9R1.22 O=C1CC(CF)C(=O)O1 Amb33379253 [0,2,0,0,0,0|0,0,0]=2 2508 B9R1.22 O=C1CC(O)C(CBr)O1 Amb27165399 [0,2,0,0,0,0|1,0,1]=4 2509 B9R1.22 O=C1CC(O)C(CCl)O1 Amb27403088 [0,2,0,0,0,0|1,0,1]=4 2510 B9R1.22 O=C1CN(CO)C(=O)N1 Amb27482587 [0,2,0,0,0,0|2,0,0]=4 2511 B9R1.22 O=C1C[C@@H](O)[C@@H](CCl)O1 Amb27975823 [0,2,0,0,0,0|1,0,1]=4 2512 B9R1.22 O=C1C[C@@H](O)[C@@H](CO)O1 Amb24515317 [0,2,0,0,0,0|0,0,2]=4 2513 B9R1.22 O=C1C[C@@H](O)[C@H](CO)O1 Amb22748461 [0,2,0,0,0,0|0,0,2]=4 2514 B9R1.22 O=C1C[C@H](O)[C@@H](CBr)O1 Amb25176060 [0,2,0,0,0,0|1,0,1]=4 2515 B9R1.22 O=C1C[C@H](O)[C@@H](CO)O1 Amb20242107 [0,2,0,0,0,0|0,0,2]=4 2516 B9R1.22 O=C1C[C@H](O)[C@H](CO)O1 Amb26419790 [0,2,0,0,0,0|0,0,2]=4 2517 B9R1.22 O=C1NC(=O)C(CCl)N1 Amb27606273 [0,2,0,0,0,0|2,0,0]=4 2518 B9R1.22 O=C1NC(=O)C(CO)N1 Amb3941042 [0,2,0,0,0,0|2,0,0]=4 2519 B9R1.22 O=C1NC(=O)C(CS)N1 Amb525869 [0,2,0,0,0,0|2,0,0]=4 2520 B9R1.22 O=C1NC(=O)[C@H](CO)N1 Amb3941043 [0,2,0,0,0,0|2,0,0]=4 2521 B9R1.22 O=C1NC(=O)[C@H](CS)N1 Amb25104738 [0,2,0,0,0,0|2,0,0]=4 2522 B9R1.22 O=C1NC(CCl)C(=O)O1 Amb22054711 [0,2,0,0,0,0|1,0,0]=3 2523 B9R1.22 O=C1N[C@@H](CCl)C(=O)O1 Amb28411496 [0,2,0,0,0,0|1,0,0]=3 2524 B9R1.22 O=C1N[C@@H](CO)C(=O)O1 Amb26430671 [0,2,0,0,0,0|1,0,0]=3 2525 B9R1.22 O=C1N[C@H](CCl)C(=O)O1 Amb33624521 [0,2,0,0,0,0|1,0,0]=3 2526 B9R1.22 O=C1N\C(=C\Br)C(=O)O1 Amb28283168 [0,2,0,0,0,0|1,0,1]=4 2527 B9R1.23 C=CC1=NC(C)C(=O)O1 Amb26871893 [0,2,0,0,0,0|2,0,0]=4 2528 B9R1.23 C=C[C@@H]1C[C@H](O)C(=O)O1 Amb27853704 [0,2,0,0,0,0|1,0,1]=4 2529 B9R1.23 C=C[C@H]1C[C@@H](O)C(=O)O1 Amb27852773 [0,2,0,0,0,0|1,0,1]=4 2530 B9R1.23 CC1CC(C=O)OC1=O Amb28253804 [0,2,0,0,0,0|0,0,1]=3 2531 B9R1.23 CCC1CC(N)C(=O)O1 Amb27647519 [0,2,0,0,0,0|1,0,1]=4 2532 B9R1.23 CCC1CC(O)C(=O)O1 Amb28049114 [0,2,0,0,0,0|1,0,1]=4 2533 B9R1.23 CC[C@@H]1C[C@@H](O)C(=O)O1 Amb27472678 [0,2,0,0,0,0|1,0,1]=4 2534 B9R1.23 CC[C@@H]1C[C@H](O)C(=O)O1 Amb27184446 [0,2,0,0,0,0|1,0,1]=4 2535 B9R1.23 CC[C@H]1C[C@@H](O)C(=O)O1 Amb27428268 [0,2,0,0,0,0|1,0,1]=4 2536 B9R1.23 CN1N=C(C=O)OC1=O Amb27186006 [0,2,0,0,0,0|2,0,0]=4 2537 B9R1.23 COC1=CC(=O)[C@H](O)C1 Amb27838652 [0,2,0,0,0,0|1,0,1]=4 2538 B9R1.23 C[C@@H]1C[C@@H](CN)OC1=O Amb27440489 [0,2,0,0,0,0|1,0,1]=4 2539 B9R1.23 C[C@H]1C[C@@H](CO)OC1=O Amb28429767 [0,2,0,0,0,0|0,0,2]=4 2540 B9R1.23 NC1CC(CO)OC1=O Amb18642829 [0,2,0,0,0,0|0,0,2]=4 2541 B9R1.23 NC[C@@H]1C[C@H](N)C(=O)O1 Amb27851651 [0,2,0,0,0,0|1,0,1]=4 2542 B9R1.23 N[C@H]1C[C@@H](CO)OC1=O Amb28059280 [0,2,0,0,0,0|0,0,2]=4 2543 B9R1.23 N[C@H]1C[C@H](CBr)OC1=O Amb27233512 [0,2,0,0,0,0|1,0,1]=4 2544 B9R1.23 O=C1OC(CBr)CC1O Amb27760415 [0,2,0,0,0,0|1,0,1]=4 2545 B9R1.23 O=C1OC(CCl)CC1O Amb27841626 [0,2,0,0,0,0|1,0,1]=4 2546 B9R1.23 O=C1O[C@@H](CO)C[C@@H]1O Amb27783829 [0,2,0,0,0,0|0,0,2]=4 2547 B9R1.23 O=CC1CC(O)C(=O)O1 Amb27838700 [0,2,0,0,0,0|0,0,1]=3 2548 B9R1.35 C=C(C)C1=CC(=O)CC1 Amb27838786 [0,2,0,0,0,0|2,0,0]=4 2549 B9R1.35 C=C(C)C1=NCC(=O)O1 Amb27770419 [0,2,0,0,0,0|2,0,0]=4 2550 B9R1.35 CC(=O)C1=CCC(=S)O1 Amb27261937 [0,2,0,0,0,0|0,1,1]=4 2551 B9R1.35 CC(=O)C1=NC(=O)CS1 Amb29850784 [0,2,0,0,0,0|2,0,0]=4 2552 B9R1.35 CC(=O)C1CCC(=O)C1 Amb24423910 [0,2,0,0,0,0|1,0,1]=4 2553 B9R1.35 CC(=O)C1CCC(=O)O1 Amb3428694 [0,2,0,0,0,0|0,0,1]=3 2554 B9R1.35 CC(=O)N1CCC(=O)C1 Amb18832698 [0,2,0,0,0,0|2,0,0]=4 2555 B9R1.35 CC(=O)N1CCC(=O)N1 Amb32721860 [0,2,0,0,0,0|2,0,0]=4 2556 B9R1.35 CC(=O)[C@@H]1CCC(=O)C1 Amb24407171 [0,2,0,0,0,0|1,0,1]=4 2557 B9R1.35 CC(=O)[C@@H]1CCC(=O)N1 Amb27167616 [0,2,0,0,0,0|1,0,1]=4 2558 B9R1.35 CC(=O)[C@@H]1CCC(=O)O1 Amb24182046 [0,2,0,0,0,0|0,0,1]=3 2559 B9R1.35 CC(=O)[C@H]1CCC(=O)C1 Amb26590768 [0,2,0,0,0,0|1,0,1]=4 2560 B9R1.35 CC(=O)[C@H]1CCC(=O)N1 Amb27877407 [0,2,0,0,0,0|1,0,1]=4 2561 B9R1.35 CC(C)C1=CC(=O)CC1 Amb26866593 [0,2,0,0,0,0|2,0,0]=4 2562 B9R1.35 CC(C)C1=CCC(=O)O1 Amb27462536 [0,2,0,0,0,0|1,0,1]=4 2563 B9R1.35 CC(O)C1=CC(=O)CC1 Amb28146470 [0,2,0,0,0,0|1,0,1]=4 2564 B9R1.35 CC(O)C1CCC(=O)O1 Amb25998293 [0,2,0,0,0,0|0,0,2]=4 2565 B9R1.35 CN(C)C1=CC(=O)CC1 Amb28131924 [0,2,0,0,0,0|2,0,0]=4 2566 B9R1.35 CN(C)C1=NC(=O)CC1 Amb27944641 [0,2,0,0,0,0|2,0,0]=4 2567 B9R1.35 CN(C)C1=NCC(=O)O1 Amb28075156 [0,2,0,0,0,0|2,0,0]=4 2568 B9R1.35 C[C@@H](N)[C@H]1CCC(=O)O1 Amb28456584 [0,2,0,0,0,0|1,0,1]=4 2569 B9R1.35 C[C@H](N)[C@H]1CCC(=O)O1 Amb27850574 [0,2,0,0,0,0|1,0,1]=4 2570 B9R1.35 NC(=O)C1CCC(=O)N1 Amb17142856 [0,2,0,0,0,0|1,0,1]=4 2571 B9R1.35 NC(=O)C1CCC(=O)O1 Amb24466803 [0,2,0,0,0,0|0,0,1]=3 2572 B9R1.35 NC(=O)C1CNC(=O)O1 Amb27200796 [0,2,0,0,0,0|1,0,1]=4 2573 B9R1.35 NC(=O)[C@@H]1CCC(=O)N1 Amb4018786 [0,2,0,0,0,0|1,0,1]=4 2574 B9R1.35 NC(=O)[C@@H]1CCC(=O)O1 Amb25146823 [0,2,0,0,0,0|0,0,1]=3 2575 B9R1.35 NC(=O)[C@H]1CCC(=O)N1 Amb27961076 [0,2,0,0,0,0|1,0,1]=4 2576 B9R1.35 NC(=O)[C@H]1CCC(=O)O1 Amb26909560 [0,2,0,0,0,0|0,0,1]=3 2577 B9R1.35 NC(=S)C1CCC(=O)O1 Amb27791679 [0,2,0,0,0,0|0,1,1]=4 2578 B9R1.35 O=C1C=C(C(=O)O)CC1 Amb13883804 [0,2,0,0,0,0|1,0,0]=3 2579 B9R1.35 O=C1CCC(C(=O)Cl)C1 Amb25282784 [0,2,0,0,0,0|1,0,1]=4 2580 B9R1.35 O=C1CCC(C(=O)Cl)N1 Amb17142869 [0,2,0,0,0,0|1,0,1]=4 2581 B9R1.35 O=C1CCC(C(=O)Cl)O1 Amb24648754 [0,2,0,0,0,0|0,0,1]=3 2582 B9R1.35 O=C1CCC(C(=O)O)C1 Amb2695400 [0,2,0,0,0,0|1,0,1]=4 2583 B9R1.35 O=C1CCC(C(=O)O)N1 Amb9703102 [0,2,0,0,0,0|1,0,1]=4 2584 B9R1.35 O=C1CCC(C(=O)O)O1 Amb20623076 [0,2,0,0,0,0|0,0,1]=3 2585 B9R1.35 O=C1CCC(C(=O)O)S1 Amb23439315 [0,2,0,0,0,0|0,1,1]=4 2586 B9R1.35 O=C1CCC(C(=O)[O-])N1 Amb8514777 [0,2,0,0,0,0|1,0,1]=4 2587 B9R1.35 O=C1CCN([N+](=O)[O-])C1 Amb27655646 [0,2,0,0,0,0|2,0,0]=4 2588 B9R1.35 O=C1CC[C@@H](C(=O)Cl)O1 Amb22388653 [0,2,0,0,0,0|0,0,1]=3 2589 B9R1.35 O=C1CC[C@@H](C(=O)O)C1 Amb27254141 [0,2,0,0,0,0|1,0,1]=4 2590 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 Amb1995036 [0,2,0,0,0,0|1,0,1]=4 2591 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 Amb24099403 [0,2,0,0,0,0|1,0,1]=4 2592 B9R1.35 O=C1CC[C@@H](C(=O)O)O1 Amb2722887 [0,2,0,0,0,0|0,0,1]=3 2593 B9R1.35 O=C1CC[C@@H](C(=O)[O-])N1 Amb8395173 [0,2,0,0,0,0|1,0,1]=4 2594 B9R1.35 O=C1CC[C@H](C(=O)Cl)O1 Amb22747149 [0,2,0,0,0,0|0,0,1]=3 2595 B9R1.35 O=C1CC[C@H](C(=O)O)C1 Amb22746923 [0,2,0,0,0,0|1,0,1]=4 2596 B9R1.35 O=C1CC[C@H](C(=O)O)N1 Amb2694994 [0,2,0,0,0,0|1,0,1]=4 2597 B9R1.35 O=C1CC[C@H](C(=O)O)O1 Amb2720513 [0,2,0,0,0,0|0,0,1]=3 2598 B9R1.35 O=C1CN=C(C(=O)O)N1 Amb24387402 [0,2,0,0,0,0|2,0,0]=4 2599 B9R1.35 O=C1CSC(C(=O)Cl)O1 Amb25724287 [0,2,0,0,0,0|1,0,1]=4 2600 B9R1.35 O=C1CSC(C(=O)O)=N1 Amb27211941 [0,2,0,0,0,0|2,0,0]=4 2601 B9R1.35 O=C1CSC(C(=O)O)O1 Amb25063335 [0,2,0,0,0,0|1,0,1]=4 2602 B9R1.35 O=C1N=C(C(=O)Cl)CN1 Amb26587208 [0,2,0,0,0,0|2,0,0]=4 2603 B9R1.35 O=C1NCC(C(=O)O)O1 Amb24112958 [0,2,0,0,0,0|1,0,1]=4 2604 B9R1.35 O=C1NC[C@@H](C(=O)O)O1 Amb25146207 [0,2,0,0,0,0|1,0,1]=4 2605 B9R1.35 O=C1NC[C@H](C(=O)O)O1 Amb27771494 [0,2,0,0,0,0|1,0,1]=4 2606 B9R1.35 O=C1OCC(C(=O)O)O1 Amb25767974 [0,2,0,0,0,0|1,0,1]=4 2607 B9R1.125 C=CC1(C)CCC(=O)O1 Amb29849361 [0,2,0,0,0,0|1,0,1]=4 2608 B9R1.125 CC1(C=O)CCC(=O)C1 Amb28285173 [0,2,0,0,0,0|1,0,1]=4 2609 B9R1.125 CC1(C=O)CCC(=O)N1 Amb28364896 [0,2,0,0,0,0|1,0,1]=4 2610 B9R1.125 CC1(C=O)CCC(=O)O1 Amb28348513 [0,2,0,0,0,0|0,0,1]=3 2611 B9R1.125 CC1(CN)CCC(=O)O1 Amb27815595 [0,2,0,0,0,0|1,0,1]=4 2612 B9R1.125 C[C@@]1(C=O)CCC(=O)C1 Amb27798280 [0,2,0,0,0,0|1,0,1]=4 2613 B9R1.132 C#CC1=C(C)C(=O)CC1 Amb27838821 [0,2,0,0,0,0|2,0,0]=4 2614 B9R1.132 CC1=C(C#N)CCC1=O Amb18641997 [0,2,0,0,0,0|2,0,0]=4 2615 B9R1.132 CC1=C(C=O)CCC1=O Amb27750321 [0,2,0,0,0,0|1,0,0]=3 2616 B9R1.132 CCC1=C(O)C(=O)CC1 Amb2695590 [0,2,0,0,0,0|2,0,0]=4 2617 B9R1.132 CN1C(=O)CCC1C=O Amb24725330 [0,2,0,0,0,0|1,0,1]=4 2618 B9R1.132 CNC1=C(C)C(=O)CC1 Amb25146177 [0,2,0,0,0,0|2,0,0]=4 2619 B9R1.132 COC1=C(Br)C(=O)CC1 Amb22170288 [0,2,0,0,0,0|1,0,1]=4 2620 B9R1.132 COC1=C(Cl)C(=O)CC1 Amb28321871 [0,2,0,0,0,0|1,0,1]=4 2621 B9R1.132 COC1=C(O)C(=O)CC1 Amb26390854 [0,2,0,0,0,0|1,0,1]=4 2622 B9R1.132 O=C1CCC(CO)=C1O Amb27261379 [0,2,0,0,0,0|1,0,1]=4 2623 B9R1.36 CC1(C)CC(N)C(=O)O1 Amb18124322 [0,2,0,0,0,0|1,0,1]=4 2624 B9R1.36 CC1(C)CC(N)C(=O)O1 Amb32674857 [0,2,0,0,0,0|1,0,1]=4 2625 B9R1.36 CC1(C)C[C@@H](N)C(=O)O1 Amb28196700 [0,2,0,0,0,0|1,0,1]=4 2626 B9R1.36 CC1(C)C[C@@H](O)C(=O)O1 Amb27472564 [0,2,0,0,0,0|1,0,1]=4 2627 B9R1.36 CC1(C)C[C@H](N)C(=O)O1 Amb24476611 [0,2,0,0,0,0|1,0,1]=4 2628 B9R1.36 CC1(C)C[C@H](O)C(=O)O1 Amb28205922 [0,2,0,0,0,0|1,0,1]=4 2629 B9R1.36 CC1CC(C)(C)OC1=O Amb24444118 [0,2,0,0,0,0|1,0,1]=4 2630 B9R1.36 CC1CS(=O)(=O)NC1=O Amb32686578 [0,2,0,0,0,0|2,0,0]=4 2631 B9R1.36 NC1CS(=O)(=O)NC1=O Amb25223128 [0,2,0,0,0,0|2,0,0]=4 2632 B9R1.36 NC1CS(=O)(=O)NC1=O Amb32667177 [0,2,0,0,0,0|2,0,0]=4 2633 B9R1.36 O=C1CS(=O)(=O)CC1Cl Amb7089603 [0,2,0,0,0,0|2,0,0]=4 2634 B9R1.37 C=C1C(=O)CC(C)C1=O Amb28192131 [0,2,0,0,0,0|1,0,0]=3 2635 B9R1.37 C=C1NC(=O)C(C)C1C Amb27236263 [0,2,0,0,0,0|2,0,0]=4 2636 B9R1.37 C=C1NC(=O)[C@@H](C)[C@@H]1C Amb27217263 [0,2,0,0,0,0|2,0,0]=4 2637 B9R1.37 C=C1NC(=O)[C@@H](C)[C@H]1C Amb27758891 [0,2,0,0,0,0|2,0,0]=4 2638 B9R1.37 C=C1NC(=O)[C@H](C)[C@@H]1C Amb24608855 [0,2,0,0,0,0|2,0,0]=4 2639 B9R1.37 C=C1NC(=O)[C@H](C)[C@H]1C Amb25064615 [0,2,0,0,0,0|2,0,0]=4 2640 B9R1.37 CC1=C(C)C(=O)C(Br)C1 Amb28245233 [0,2,0,0,0,0|2,0,0]=4 2641 B9R1.37 CC1=C(C)C(=O)OC1=O Amb2778195 [0,2,0,0,0,0|0,0,2]=4 2642 B9R1.37 CC1=C(O)C(=O)C(Br)C1 Amb27768656 [0,2,0,0,0,0|2,0,0]=4 2643 B9R1.37 CC1=C(O)C(=O)CC1C Amb26593809 [0,2,0,0,0,0|2,0,0]=4 2644 B9R1.37 CC1=C(O)C(=O)CC1O Amb28315501 [0,2,0,0,0,0|2,0,0]=4 2645 B9R1.37 CC1=C(O)C(O)C(=O)O1 Amb25769590 [0,2,0,0,0,0|1,0,1]=4 2646 B9R1.37 CC1=C(O)CC(O)C1=O Amb27948592 [0,2,0,0,0,0|1,0,1]=4 2647 B9R1.37 CC1=CC(=O)C(C)C1C Amb27432608 [0,2,0,0,0,0|2,0,0]=4 2648 B9R1.37 CC1=CC(=O)C(Cl)C1C Amb28454463 [0,2,0,0,0,0|2,0,0]=4 2649 B9R1.37 CC1=CC(=O)C(O)C1O Amb27838677 [0,2,0,0,0,0|2,0,0]=4 2650 B9R1.37 CC1=NC(=O)C(C)C1C Amb24353879 [0,2,0,0,0,0|2,0,0]=4 2651 B9R1.37 CC1C(=N)OC(=O)N1C Amb27470608 [0,2,0,0,0,0|2,0,0]=4 2652 B9R1.37 CC1C(=O)C=C(Br)C1O Amb27956459 [0,2,0,0,0,0|2,0,0]=4 2653 B9R1.37 CC1C(=O)CC(=O)N1C Amb22728666 [0,2,0,0,0,0|2,0,0]=4 2654 B9R1.37 CC1C(=O)CC(=O)N1C Amb22736319 [0,2,0,0,0,0|2,0,0]=4 2655 B9R1.37 CC1C(=O)CC(O)C1=O Amb27431705 [0,2,0,0,0,0|1,0,0]=3 2656 B9R1.37 CC1C(=O)NC(=O)C1C Amb19148076 [0,2,0,0,0,0|1,0,0]=3 2657 B9R1.37 CC1C(=O)NC(=O)S1=O Amb26448909 [0,2,0,0,0,0|2,0,0]=4 2658 B9R1.37 CC1C(=O)OC(=O)C1C Amb27266073 [0,2,0,0,0,0|0,0,0]=2 2659 B9R1.37 CC1C(=O)OC(=O)[C@H]1N Amb27664717 [0,2,0,0,0,0|0,0,0]=2 2660 B9R1.37 CC1CC(=O)C(C)C1=O Amb27838774 [0,2,0,0,0,0|1,0,0]=3 2661 B9R1.37 CC1CC(=O)C(O)=C1O Amb27153105 [0,2,0,0,0,0|1,0,1]=4 2662 B9R1.37 CC1NC(=O)C(C)C1=O Amb27252155 [0,2,0,0,0,0|2,0,0]=4 2663 B9R1.37 CC1NC(=O)N(C)C1=O Amb19517104 [0,2,0,0,0,0|2,0,0]=4 2664 B9R1.37 CC1OC(=O)C(Br)C1=O Amb27401885 [0,2,0,0,0,0|2,0,0]=4 2665 B9R1.37 CC1OC(=O)C(N)C1C Amb27424680 [0,2,0,0,0,0|1,0,1]=4 2666 B9R1.37 CC1OC(=O)C(O)C1=O Amb27222152 [0,2,0,0,0,0|2,0,0]=4 2667 B9R1.37 CC1OC(=O)C(O)C1Br Amb27966842 [0,2,0,0,0,0|1,0,1]=4 2668 B9R1.37 CC1OC(=O)C(O)C1I Amb27253078 [0,2,0,0,0,0|1,0,1]=4 2669 B9R1.37 CN1C(=O)CC(N)C1=O Amb33550083 [0,2,0,0,0,0|1,0,0]=3 2670 B9R1.37 CN1C(=O)CC(N)C1=O Amb9500648 [0,2,0,0,0,0|1,0,0]=3 2671 B9R1.37 CN1C(=O)CC(O)C1=O Amb22388645 [0,2,0,0,0,0|1,0,0]=3 2672 B9R1.37 CN1C(=O)CN(N)C1=O Amb27436200 [0,2,0,0,0,0|2,0,0]=4 2673 B9R1.37 CN1C(=O)CN(N)C1=O Amb32708527 [0,2,0,0,0,0|2,0,0]=4 2674 B9R1.37 CN1C(=O)C[C@@H](N)C1=O Amb18033836 [0,2,0,0,0,0|1,0,0]=3 2675 B9R1.37 CN1C(=O)C[C@@H](O)C1=O Amb4451252 [0,2,0,0,0,0|1,0,0]=3 2676 B9R1.37 CN1C(=O)C[C@H](N)C1=O Amb17134613 [0,2,0,0,0,0|1,0,0]=3 2677 B9R1.37 CN1C(=O)C[C@H](O)C1=O Amb3939670 [0,2,0,0,0,0|1,0,0]=3 2678 B9R1.37 CN1C(=O)NC(=O)C1Br Amb28138023 [0,2,0,0,0,0|2,0,0]=4 2679 B9R1.37 CN1C(=O)NC(=O)C1O Amb8395584 [0,2,0,0,0,0|2,0,0]=4 2680 B9R1.37 CN1C(=O)NC(=O)[C@@H]1O Amb26409658 [0,2,0,0,0,0|2,0,0]=4 2681 B9R1.37 CN1CC(=O)N(C)C1=O Amb27838767 [0,2,0,0,0,0|2,0,0]=4 2682 B9R1.37 C[C@@H]1C(=O)NC(=O)[C@@H]1C Amb27876548 [0,2,0,0,0,0|1,0,0]=3 2683 B9R1.37 C[C@@H]1C(=O)OC(=O)N1C Amb24183510 [0,2,0,0,0,0|1,0,0]=3 2684 B9R1.37 C[C@@H]1NC(=O)N(C)C1=O Amb27768581 [0,2,0,0,0,0|2,0,0]=4 2685 B9R1.37 C[C@@H]1NC(=O)N(N)C1=O Amb27435227 [0,2,0,0,0,0|2,0,0]=4 2686 B9R1.37 C[C@@H]1OC(=O)[C@@H](N)[C@@H]1C Amb27203003 [0,2,0,0,0,0|1,0,1]=4 2687 B9R1.37 C[C@@H]1OC(=O)[C@@H](N)[C@H]1C Amb25946352 [0,2,0,0,0,0|1,0,1]=4 2688 B9R1.37 C[C@@H]1OC(=O)[C@@H](O)[C@@H]1O Amb27857584 [0,2,0,0,0,0|1,0,1]=4 2689 B9R1.37 C[C@@H]1OC(=O)[C@H](N)[C@@H]1C Amb27961355 [0,2,0,0,0,0|1,0,1]=4 2690 B9R1.37 C[C@@H]1OC(=O)[C@H](O)[C@@H]1O Amb25327544 [0,2,0,0,0,0|1,0,1]=4 2691 B9R1.37 C[C@@H]1OC(=O)[C@H](O)[C@H]1I Amb2612169 [0,2,0,0,0,0|1,0,1]=4 2692 B9R1.37 C[C@@H]1OC(=O)[C@H](O)[C@H]1O Amb24714713 [0,2,0,0,0,0|1,0,1]=4 2693 B9R1.37 C[C@H]1C(=O)CC(=O)[C@H]1O Amb28074639 [0,2,0,0,0,0|1,0,0]=3 2694 B9R1.37 C[C@H]1C(=O)OC(=O)N1C Amb24528343 [0,2,0,0,0,0|1,0,0]=3 2695 B9R1.37 C[C@H]1CC(=O)N(C)C1=O Amb25933614 [0,2,0,0,0,0|1,0,0]=3 2696 B9R1.37 C[C@H]1NC(=O)N(C)C1=O Amb26061869 [0,2,0,0,0,0|2,0,0]=4 2697 B9R1.37 C[C@H]1OC(=O)C(Br)C1=O Amb27865464 [0,2,0,0,0,0|2,0,0]=4 2698 B9R1.37 C[C@H]1OC(=O)[C@@H](O)[C@@H]1O Amb27438513 [0,2,0,0,0,0|1,0,1]=4 2699 B9R1.37 C[C@H]1OC(=O)[C@@H](O)[C@H]1O Amb27640250 [0,2,0,0,0,0|1,0,1]=4 2700 B9R1.37 C[C@H]1OC(=O)[C@H](N)[C@H]1C Amb27421606 [0,2,0,0,0,0|1,0,1]=4 2701 B9R1.37 C[C@H]1OC(=O)[C@H](O)[C@@H]1O Amb27642097 [0,2,0,0,0,0|1,0,1]=4 2702 B9R1.37 C[C@H]1OC(=O)[C@H](O)[C@H]1O Amb27432207 [0,2,0,0,0,0|1,0,1]=4 2703 B9R1.37 C[C@H]1[C@H](N)C(=O)O[C@@H]1C Amb26415247 [0,2,0,0,0,0|1,0,1]=4 2704 B9R1.37 NC1CC(=O)N(N)C1=O Amb28119967 [0,2,0,0,0,0|1,0,0]=3 2705 B9R1.37 N[C@H]1CC(=O)N(O)C1=O Amb28249834 [0,2,0,0,0,0|1,0,0]=3 2706 B9R1.37 O=C1C(O)=C(Cl)CC1O Amb27838813 [0,2,0,0,0,0|2,0,0]=4 2707 B9R1.37 O=C1CC(=O)C(Br)C1=O Amb28245224 [0,2,0,0,0,0|1,0,1]=4 2708 B9R1.37 O=C1CC(=O)C(O)C1O Amb27263013 [0,2,0,0,0,0|1,0,0]=3 2709 B9R1.37 O=C1CN(Br)C(=O)N1Br Amb4013542 [0,2,0,0,0,0|2,0,0]=4 2710 B9R1.37 O=C1NC(=O)C(O)C1O Amb27845569 [0,2,0,0,0,0|1,0,0]=3 2711 B9R1.37 O=C1OC(=O)C(Br)=C1Br Amb20671366 [0,2,0,0,0,0|0,0,2]=4 2712 B9R1.37 O=C1OC(=O)C(Cl)=C1Cl Amb8389377 [0,2,0,0,0,0|0,0,2]=4 2713 B9R1.37 O=C1OC(=O)C(F)=C1F Amb10608781 [0,2,0,0,0,0|0,0,2]=4 2714 B9R1.37 O=C1OC(=O)C(F)C1F Amb27180807 [0,2,0,0,0,0|0,0,0]=2 2715 B9R1.37 O=C1OC(=O)[C@@H](Cl)[C@@H]1Cl Amb27261509 [0,2,0,0,0,0|0,0,0]=2 2716 B9R1.37 O=C1OC(O)=C(Cl)C1Cl Amb22015300 [0,2,0,0,0,0|0,0,2]=4 2717 B9R1.37 O=C1OC(O)C(Br)C1Br Amb21811590 [0,2,0,0,0,0|0,0,2]=4 2718 B9R1.37 O=C1OC(O)C(O)C1O Amb24419120 [0,2,0,0,0,0|0,0,2]=4 2719 B9R1.38 C=C1OC(=O)OC1(C)C Amb1033029 [0,2,0,0,0,0|2,0,0]=4 2720 B9R1.38 C=C1OC(=O)OC1(C)Cl Amb26064671 [0,2,0,0,0,0|2,0,0]=4 2721 B9R1.38 CC1(Br)CC(=O)NC1=O Amb25095370 [0,2,0,0,0,0|1,0,0]=3 2722 B9R1.38 CC1(C)CC(=O)CC1=O Amb25993979 [0,2,0,0,0,0|1,0,0]=3 2723 B9R1.38 CC1(C)CC(=O)N=C1N Amb24412394 [0,2,0,0,0,0|2,0,0]=4 2724 B9R1.38 CC1(C)CC(=O)NC1=O Amb8845622 [0,2,0,0,0,0|1,0,0]=3 2725 B9R1.38 CC1(C)CC(=O)NC1=S Amb27827420 [0,2,0,0,0,0|1,1,0]=4 2726 B9R1.38 CC1(C)CC(=O)OC1=O Amb2687615 [0,2,0,0,0,0|0,0,0]=2 2727 B9R1.38 CC1(C)CC(=S)NC1=O Amb27209597 [0,2,0,0,0,0|1,1,0]=4 2728 B9R1.38 CC1(C)CC(O)OC1=O Amb17593371 [0,2,0,0,0,0|0,0,2]=4 2729 B9R1.38 CC1(C)NC(=O)CC1=O Amb18832699 [0,2,0,0,0,0|2,0,0]=4 2730 B9R1.38 CC1(C)NC(=O)NC1=O Amb1145663 [0,2,0,0,0,0|2,0,0]=4 2731 B9R1.38 CC1(C)NC(=O)OC1=O Amb26615190 [0,2,0,0,0,0|1,0,0]=3 2732 B9R1.38 CC1(C)NC(=S)OC1=O Amb27816436 [0,2,0,0,0,0|1,1,0]=4 2733 B9R1.38 CC1(C)OC(=O)CC1=O Amb27838818 [0,2,0,0,0,0|2,0,0]=4 2734 B9R1.38 CC1(C)OC(=O)C[C@H]1O Amb27208228 [0,2,0,0,0,0|1,0,1]=4 2735 B9R1.38 CC1(C)OC(=O)NC1=O Amb6296615 [0,2,0,0,0,0|2,0,0]=4 2736 B9R1.38 CC1(C)SC(=O)NC1=O Amb20622849 [0,2,0,0,0,0|2,0,0]=4 2737 B9R1.38 CC1(N)CC(=O)NC1=O Amb28314090 [0,2,0,0,0,0|1,0,0]=3 2738 B9R1.38 CC1(O)NC(=O)NC1=O Amb4012222 [0,2,0,0,0,0|2,0,0]=4 2739 B9R1.38 CC1=CC(=O)C(C)(O)C1 Amb27838672 [0,2,0,0,0,0|2,0,0]=4 2740 B9R1.38 CC1=CC(=O)CC1(C)C Amb16191973 [0,2,0,0,0,0|2,0,0]=4 2741 B9R1.38 CC1=CC(=O)CC1(C)O Amb27838694 [0,2,0,0,0,0|2,0,0]=4 2742 B9R1.38 CC1=CC(Br)(Br)C(=O)O1 Amb25794831 [0,2,0,0,0,0|1,0,1]=4 2743 B9R1.38 CC1CC(=O)OC1(C)C Amb28206444 [0,2,0,0,0,0|1,0,1]=4 2744 B9R1.38 CC1CC(C)(C)C(=O)O1 Amb25187375 [0,2,0,0,0,0|1,0,1]=4 2745 B9R1.38 CC1OC(=O)CC1(C)C Amb26942367 [0,2,0,0,0,0|1,0,1]=4 2746 B9R1.38 C[C@@H]1C[C@](C)(N)C(=O)O1 Amb28057766 [0,2,0,0,0,0|1,0,1]=4 2747 B9R1.38 C[C@H]1C[C@](C)(N)C(=O)O1 Amb27639486 [0,2,0,0,0,0|1,0,1]=4 2748 B9R1.38 O=C1CC(F)(F)C(=O)O1 Amb24058298 [0,2,0,0,0,0|0,0,0]=2 2749 B9R1.27 C=CN1C(=O)CCC1=O Amb22231352 [0,2,0,0,0,0|1,0,0]=3 2750 B9R1.27 CCC1=C(Cl)CCC1=O Amb27836883 [0,2,0,0,0,0|2,0,0]=4 2751 B9R1.27 CCC1=C(O)CCC1=O Amb27838731 [0,2,0,0,0,0|1,0,1]=4 2752 B9R1.27 CCC1C(=O)CCC1=O Amb8513847 [0,2,0,0,0,0|1,0,0]=3 2753 B9R1.27 CCN1C(=O)CCC1=O Amb2967303 [0,2,0,0,0,0|1,0,0]=3 2754 B9R1.27 CCN1C(=O)CNC1=O Amb9252835 [0,2,0,0,0,0|2,0,0]=4 2755 B9R1.27 CCN1C(=O)CSC1=O Amb3618554 [0,2,0,0,0,0|2,0,0]=4 2756 B9R1.27 CON1C(=O)CCC1=O Amb27834294 [0,2,0,0,0,0|1,0,0]=3 2757 B9R1.27 CON1C(=O)CNC1=O Amb27857149 [0,2,0,0,0,0|2,0,0]=4 2758 B9R1.27 N#CC1C(=O)CNC1=O Amb27194977 [0,2,0,0,0,0|2,0,0]=4 2759 B9R1.27 N#CN1C(=O)CCC1=O Amb24352630 [0,2,0,0,0,0|1,0,0]=3 2760 B9R1.27 N\C=C1\C(=O)COC1=O Amb25209582 [0,2,0,0,0,0|2,0,0]=4 2761 B9R1.27 O=C1CCC(=O)N1CBr Amb27807061 [0,2,0,0,0,0|1,0,0]=3 2762 B9R1.27 O=C1CCC(=O)N1CCl Amb24559709 [0,2,0,0,0,0|1,0,0]=3 2763 B9R1.27 O=C1CCC(=O)N1CO Amb2793167 [0,2,0,0,0,0|1,0,0]=3 2764 B9R1.27 O=C1COC(=O)N1CCl Amb27243875 [0,2,0,0,0,0|2,0,0]=4 2765 B9R1.27 O=C1COC(=O)N1CO Amb26973184 [0,2,0,0,0,0|2,0,0]=4 2766 B9R1.27 O=C1CSC(=O)N1CO Amb28315543 [0,2,0,0,0,0|2,0,0]=4 2767 B9R1.27 O=C1CSC(=O)\C1=C/O Amb24518310 [0,2,0,0,0,0|2,0,0]=4 2768 B9R1.27 O=CC1=C(O)CCC1=O Amb28064374 [0,2,0,0,0,0|1,0,1]=4 2769 B9R1.106 CC1(C)C(=O)CCC1=O Amb9782641 [0,2,0,0,0,0|1,0,0]=3 2770 B9R1.106 CC1(C)C(=O)CNC1=O Amb26984879 [0,2,0,0,0,0|2,0,0]=4 2771 B9R1.106 CC1(C)C(=O)COC1=O Amb26034945 [0,2,0,0,0,0|2,0,0]=4 2772 B9R1.106 CC1(C)C(=O)CSC1=O Amb28253746 [0,2,0,0,0,0|2,0,0]=4 2773 B9R1.106 O=C1CCC(=O)C1(Cl)Cl Amb26515805 [0,2,0,0,0,0|1,0,0]=3 2774 B9R1.106 O=C1CCC(=O)C1(F)F Amb22490542 [0,2,0,0,0,0|1,0,0]=3 2775 B9R1.106 O=C1COC(=O)C1(Cl)Cl Amb28201024 [0,2,0,0,0,0|2,0,0]=4 2776 B9R1.138 CC1C(=O)CCS1(=O)=O Amb27751418 [0,2,0,0,0,0|2,0,0]=4 2777 B9R1.138 O=C1CCS(=O)(=O)C1Br Amb24122669 [0,2,0,0,0,0|2,0,0]=4 2778 B9R1.146 O=S1(=O)CCS(=O)(=O)O1 Amb25344753 [0,2,0,0,0,0|2,0,0]=4 2779 B7R1.3 O=C1C=CCCC1 Amb17843126 [0,0,1,1,0,0|2,0,0]=4 2780 B7R1.3 O=C1C=CNCC1 Amb2700614 [0,0,1,1,0,0|2,0,0]=4 2781 B7R1.3 O=C1C=COCC1 Amb22000873 [0,0,1,1,0,0|1,0,1]=4 2782 B7R1.3 O=C1C=CSCC1 Amb25375022 [0,0,1,1,0,0|1,1,0]=4 2783 B7R1.3 O=C1CCC=CN1 Amb26365285 [0,0,1,1,0,0|2,0,0]=4 2784 B7R1.3 O=C1CCCCO1 Amb8513592 [0,0,1,1,0,0|1,0,1]=4 2785 B7R1.3 O=C1CCN=CN1 Amb27447786 [0,0,1,1,0,0|2,0,0]=4 2786 B7R1.6 O=CC=C1CCC1 Amb27827363 [0,0,1,1,0,0|2,0,0]=4 2787 B7R1.12 CC(=O)C1N=C1C Amb28050540 [0,0,1,1,0,0|2,0,0]=4 2788 B7R1.12 O=C(Cl)C1CC1=O Amb27838228 [0,0,1,1,0,0|2,0,0]=4 2789 B7R1.20 CC(=O)C=C1CC1 Amb28201596 [0,0,1,1,0,0|2,0,0]=4 2790 B7R1.20 CC(=O)OC1CO1 Amb25261586 [0,0,1,1,0,0|0,0,2]=4 2791 B7R1.18 O=C(O)C1CCC1 Amb2686619 [0,0,1,1,0,0|1,0,1]=4 2792 B7R1.18 O=C(O)C1CCN1 Amb2371568 [0,0,1,1,0,0|1,0,1]=4 2793 B7R1.18 O=C(O)C1CCN1 Amb8391098 [0,0,1,1,0,0|1,0,1]=4 2794 B7R1.18 O=C(O)C1CCO1 Amb2383526 [0,0,1,1,0,0|0,0,2]=4 2795 B7R1.18 O=C(O)C1CCS1 Amb27209836 [0,0,1,1,0,0|0,1,1]=4 2796 B7R1.18 O=C(O)C1CNC1 Amb2444164 [0,0,1,1,0,0|2,0,0]=4 2797 B7R1.18 O=C(O)C1CNC1 Amb8384273 [0,0,1,1,0,0|2,0,0]=4 2798 B7R1.18 O=C(O)C1COC1 Amb33542663 [0,0,1,1,0,0|2,0,0]=4 2799 B7R1.18 O=C(O)C1CSC1 Amb20171470 [0,0,1,1,0,0|2,0,0]=4 2800 B7R1.18 O=C(O)[C@@H]1CCN1 Amb2698263 [0,0,1,1,0,0|1,0,1]=4 2801 B7R1.18 O=C(O)[C@@H]1CCN1 Amb8631077 [0,0,1,1,0,0|1,0,1]=4 2802 B7R1.18 O=C(O)[C@@H]1CCO1 Amb33482870 [0,0,1,1,0,0|0,0,2]=4 2803 B7R1.18 O=C(O)[C@H]1CCN1 Amb2698264 [0,0,1,1,0,0|1,0,1]=4 2804 B7R1.18 O=C(O)[C@H]1CCN1 Amb33801322 [0,0,1,1,0,0|1,0,1]=4 2805 B7R1.18 O=C(O)[C@H]1CCO1 Amb33483353 [0,0,1,1,0,0|0,0,2]=4 2806 B9R2.19 O=C1CCC2CC1O2 Amb22364973 [0,0,0,1,0,1|1,0,1]=4 2807 B9R2.21 O=C1CCC2CC2O1 Amb27422131 [0,0,0,1,0,1|1,0,1]=4 2808 B9R2.40 CC12CCC(=O)C1O2 Amb28048967 [0,0,0,1,0,1|1,0,1]=4 2809 B9R2.18 C=C1C2CCC(=O)C12 Amb27749879 [0,0,0,1,0,1|2,0,0]=4 2810 B9R2.25 CC1=CC(=O)C2OC12 Amb27409563 [0,0,0,1,0,1|2,0,0]=4 2811 B9R2.25 CC1=CC(=O)[C@@H]2C[C@H]12 Amb27797370 [0,0,0,1,0,1|2,0,0]=4 2812 B9R2.25 NC1=NC(=O)N2CC12 Amb22352757 [0,0,0,1,0,1|2,0,0]=4 2813 B9R2.25 O=C1CC(=O)[C@@H]2C[C@H]12 Amb28048943 [0,0,0,1,0,1|1,0,0]=3 2814 B9R2.25 O=C1NC(=O)C2CC12 Amb2446323 [0,0,0,1,0,1|1,0,0]=3 2815 B9R2.25 O=C1OC(=O)C2CC12 Amb2445133 [0,0,0,1,0,1|0,0,0]=2 2816 B9R2.25 O=C1OC(=O)[C@@H]2C[C@H]12 Amb27236139 [0,0,0,1,0,1|0,0,0]=2 2817 B9R2.29 O=C1CC2NC(=O)C12 Amb27801485 [0,0,0,1,0,1|1,0,0]=3 2818 B9R2.29 O=C1C[C@@H]2NC(=O)[C@H]12 Amb28388801 [0,0,0,1,0,1|1,0,0]=3 2819 B9R2.29 O=C1C[C@H]2NC(=O)[C@@H]12 Amb27458936 [0,0,0,1,0,1|1,0,0]=3 2820 B9R2.39 O=C1OC2CCC1C2 Amb31379084 [0,0,0,1,0,1|1,0,1]=4 2821 B9R2.39 O=C1OC2CNC1C2 Amb15692521 [0,0,0,1,0,1|1,0,1]=4 2822 B9R2.39 O=C1OC2CNC1C2 Amb28934913 [0,0,0,1,0,1|1,0,1]=4 2823 B9R2.39 O=C1OC2CN[C@H]1C2 Amb27637868 [0,0,0,1,0,1|1,0,1]=4 2824 B9R2.39 O=C1O[C@@H]2CN[C@H]1C2 Amb19516242 [0,0,0,1,0,1|1,0,1]=4 2825 B9R2.39 O=C1O[C@@H]2CN[C@H]1C2 Amb27779719 [0,0,0,1,0,1|1,0,1]=4 2826 B5R0.5 C=C(Br)C(C)=O Amb17593709 [0,0,1,0,1,0|1,0,1]=4 2827 B5R0.5 C=C(C)C(=C)C Amb8517589 [0,0,1,0,1,0|2,0,0]=4 2828 B5R0.5 C=C(C)C(=O)Cl Amb534203 [0,0,1,0,1,0|2,0,0]=4 2829 B5R0.5 C=C(C)C(=O)O Amb6608998 [0,0,1,0,1,0|2,0,0]=4 2830 B5R0.5 C=C(C)C(C)=O Amb17593021 [0,0,1,0,1,0|1,0,0]=3 2831 B5R0.5 C=C(C)C(N)=O Amb6609019 [0,0,1,0,1,0|2,0,0]=4 2832 B5R0.5 C=C(Cl)C(C)=O Amb28284771 [0,0,1,0,1,0|1,0,1]=4 2833 B5R0.5 C=C(F)C(C)=O Amb17593032 [0,0,1,0,1,0|1,0,1]=4 2834 B5R0.5 CC(=O)C(=N)N Amb24409561 [0,0,1,0,1,0|2,0,0]=4 2835 B5R0.5 CC(=O)C(=O)Cl Amb17593107 [0,0,1,0,1,0|1,0,0]=3 2836 B5R0.5 CC(=O)C(=O)O Amb932807 [0,0,1,0,1,0|1,0,0]=3 2837 B5R0.5 CC(=O)C(=O)[O-] Amb22043412 [0,0,1,0,1,0|1,0,0]=3 2838 B5R0.5 CC(=O)C(C)=O Amb6608675 [0,0,1,0,1,0|0,0,0]=2 2839 B5R0.5 CC(=O)C(C)=S Amb27632834 [0,0,1,0,1,0|0,1,0]=3 2840 B5R0.5 CC(=O)C(C)Br Amb8384405 [0,0,1,0,1,0|1,0,1]=4 2841 B5R0.5 CC(=O)C(C)C Amb4605987 [0,0,1,0,1,0|1,0,1]=4 2842 B5R0.5 CC(=O)C(C)Cl Amb9702838 [0,0,1,0,1,0|1,0,1]=4 2843 B5R0.5 CC(=O)C(C)F Amb10841897 [0,0,1,0,1,0|1,0,1]=4 2844 B5R0.5 CC(=O)C(C)I Amb28315734 [0,0,1,0,1,0|1,0,1]=4 2845 B5R0.5 CC(=O)C(C)N Amb17593029 [0,0,1,0,1,0|1,0,1]=4 2846 B5R0.5 CC(=O)C(C)N Amb19148817 [0,0,1,0,1,0|1,0,1]=4 2847 B5R0.5 CC(=O)C(C)O Amb6608962 [0,0,1,0,1,0|0,0,2]=4 2848 B5R0.5 CC(=O)C(C)S Amb8393169 [0,0,1,0,1,0|0,1,1]=4 2849 B5R0.5 CC(=O)C(N)=O Amb17593028 [0,0,1,0,1,0|1,0,0]=3 2850 B5R0.5 CC(=O)C(N)=S Amb33528965 [0,0,1,0,1,0|1,1,0]=4 2851 B5R0.5 CC(=O)N(C)C Amb24323347 [0,0,1,0,1,0|2,0,0]=4 2852 B5R0.5 CC(=O)N(C)C Amb2793066 [0,0,1,0,1,0|2,0,0]=4 2853 B5R0.5 CC(=O)N(C)N Amb17593037 [0,0,1,0,1,0|2,0,0]=4 2854 B5R0.5 CC(=O)N(C)O Amb24066817 [0,0,1,0,1,0|1,0,1]=4 2855 B5R0.5 CC(=O)[C@@H](C)N Amb22748924 [0,0,1,0,1,0|1,0,1]=4 2856 B5R0.5 CC(=O)[C@H](C)N Amb26418661 [0,0,1,0,1,0|1,0,1]=4 2857 B5R0.5 CC(=S)C(=O)O Amb27424126 [0,0,1,0,1,0|1,1,0]=4 2858 B5R0.5 CC(C)=C(C)Br Amb22228669 [0,0,1,0,1,0|2,0,0]=4 2859 B5R0.5 CC(C)=C(C)C Amb8513520 [0,0,1,0,1,0|2,0,0]=4 2860 B5R0.5 C\C(Br)=C(/C)Br Amb24741236 [0,0,1,0,1,0|2,0,0]=4 2861 B5R0.5 C\C(Br)=C(\C)Br Amb27263950 [0,0,1,0,1,0|2,0,0]=4 2862 B5R0.5 NC(=O)C(=O)O Amb32666615 [0,0,1,0,1,0|2,0,0]=4 2863 B5R0.5 NC(=O)C(=O)O Amb3940455 [0,0,1,0,1,0|2,0,0]=4 2864 B5R0.5 NC(=O)C(=O)[O-] Amb22053860 [0,0,1,0,1,0|2,0,0]=4 2865 B5R0.5 NC(=O)C(=O)[O-] Amb22730546 [0,0,1,0,1,0|2,0,0]=4 2866 B5R0.5 NC(=O)C(N)=O Amb3886526 [0,0,1,0,1,0|2,0,0]=4 2867 B5R0.5 O=C(Br)C(=O)Br Amb8513454 [0,0,1,0,1,0|2,0,0]=4 2868 B5R0.5 O=C(Cl)C(=O)Cl Amb2793009 [0,0,1,0,1,0|2,0,0]=4 2869 B5R0.5 O=C(F)C(=O)F Amb10840380 [0,0,1,0,1,0|2,0,0]=4 2870 B5R0.5 O=C(O)C(=O)Br Amb27863598 [0,0,1,0,1,0|2,0,0]=4 2871 B5R0.5 O=C(O)C(=O)O Amb10608980 [0,0,1,0,1,0|2,0,0]=4 2872 B5R0.5 O=C(O)C(=O)O Amb19374136 [0,0,1,0,1,0|2,0,0]=4 2873 B5R0.5 O=C(O)C(=O)O Amb22231343 [0,0,1,0,1,0|2,0,0]=4 2874 B5R0.5 O=C(O)C(=O)O Amb22394874 [0,0,1,0,1,0|2,0,0]=4 2875 B5R0.5 O=C(O)C(=O)O Amb22436461 [0,0,1,0,1,0|2,0,0]=4 2876 B5R0.5 O=C(O)C(=O)O Amb7755827 [0,0,1,0,1,0|2,0,0]=4 2877 B5R0.5 O=C(O)C(=O)O Amb8513282 [0,0,1,0,1,0|2,0,0]=4 2878 B5R0.5 O=C([O-])C(=O)[O-] Amb17943075 [0,0,1,0,1,0|2,0,0]=4 2879 B5R0.5 O=C([O-])C(=O)[O-] Amb21963194 [0,0,1,0,1,0|2,0,0]=4 2880 B5R0.5 O=C([O-])C(=O)[O-] Amb22002099 [0,0,1,0,1,0|2,0,0]=4 2881 B5R0.5 O=C([O-])C(=O)[O-] Amb22045394 [0,0,1,0,1,0|2,0,0]=4 2882 B5R0.5 O=C([O-])C(=O)[O-] Amb22053543 [0,0,1,0,1,0|2,0,0]=4 2883 B5R0.5 O=C([O-])C(=O)[O-] Amb22053547 [0,0,1,0,1,0|2,0,0]=4 2884 B5R0.5 O=C([O-])C(=O)[O-] Amb8514326 [0,0,1,0,1,0|2,0,0]=4 2885 B5R0.5 O=C([O-])C(=O)[O-] Amb8514363 [0,0,1,0,1,0|2,0,0]=4 2886 B5R0.5 O=C([O-])C(=O)[O-] Amb8514364 [0,0,1,0,1,0|2,0,0]=4 2887 B5R0.5 O=C([S-])C(=O)[S-] Amb22730472 [0,0,1,0,1,0|2,0,0]=4 2888 B5R1.2 C=C1CCC1 Amb19374657 [1,0,0,0,1,0|1,0,1]=4 2889 B5R1.2 C=C1CCO1 Amb22736695 [1,0,0,0,1,0|1,0,0]=3 2890 B5R1.2 CC1CCO1 Amb22284855 [1,0,0,0,1,0|1,0,1]=4 2891 B5R1.2 C[C@@H]1CCO1 Amb28292927 [1,0,0,0,1,0|1,0,1]=4 2892 B5R1.2 C[C@H]1CCO1 Amb26503922 [1,0,0,0,1,0|1,0,1]=4 2893 B5R1.2 O=C1BCN1 Amb27403064 [1,0,0,0,1,0|2,0,0]=4 2894 B5R1.2 O=C1C=CC1 Amb24477666 [1,0,0,0,1,0|0,0,1]=3 2895 B5R1.2 O=C1CCC1 Amb4605970 [1,0,0,0,1,0|0,0,1]=3 2896 B5R1.2 O=C1CCN1 Amb2779956 [1,0,0,0,1,0|1,0,0]=3 2897 B5R1.2 O=C1CCO1 Amb8514945 [1,0,0,0,1,0|0,0,0]=2 2898 B5R1.2 O=C1CCS1 Amb28430252 [1,0,0,0,1,0|0,1,0]=3 2899 B5R1.2 O=C1CNC1 Amb10975976 [1,0,0,0,1,0|1,0,1]=4 2900 B5R1.2 O=C1COC1 Amb10067645 [1,0,0,0,1,0|1,0,1]=4 2901 B5R1.2 O=C1CSC1 Amb19516222 [1,0,0,0,1,0|1,0,1]=4 2902 B5R1.2 O=C1O[Ba]O1 Amb22052524 [1,0,0,0,1,0|2,0,0]=4 2903 B5R1.2 O=C1O[Mg]O1 Amb22052493 [1,0,0,0,1,0|2,0,0]=4 2904 B5R1.2 O=C1O[PbH2]O1 Amb22052516 [1,0,0,0,1,0|2,0,0]=4 2905 B5R1.2 O=S1CCC1 Amb27653739 [1,0,0,0,1,0|1,0,1]=4 2906 B5R1.2 OC1CCO1 Amb27424422 [1,0,0,0,1,0|0,0,2]=4 2907 B9R1.49 C=C1CCCC(=O)NC1 Amb27252961 [0,0,0,0,0,2|2,0,0]=4 2908 B9R1.49 CC1=CCC(=O)CCC1 Amb27838790 [0,0,0,0,0,2|2,0,0]=4 2909 B9R1.49 CC1=CCCC(=O)CC1 Amb27948552 [0,0,0,0,0,2|2,0,0]=4 2910 B9R1.49 CC1CCOC(=O)CC1 Amb24059359 [0,0,0,0,0,2|1,0,1]=4 2911 B9R1.49 O=C1C=CC(=O)CCC1 Amb28351041 [0,0,0,0,0,2|1,0,0]=3 2912 B9R1.49 O=C1CCC(=O)COC1 Amb2707216 [0,0,0,0,0,2|0,0,0]=2 2913 B9R1.49 O=C1CCC(O)CCO1 Amb23598292 [0,0,0,0,0,2|0,0,2]=4 2914 B9R1.49 O=C1CCCC(O)CO1 Amb28138759 [0,0,0,0,0,2|0,0,2]=4 2915 B9R1.49 O=C1CCCS(=O)CC1 Amb26476534 [0,0,0,0,0,2|2,0,0]=4 2916 B9R1.49 O=C1CCNC(=O)CC1 Amb22490261 [0,0,0,0,0,2|1,0,0]=3 2917 B9R1.49 O=C1CCS(=O)CCN1 Amb26480169 [0,0,0,0,0,2|2,0,0]=4 2918 B9R1.49 O=C1CC[C@@H](Br)CCO1 Amb27447872 [0,0,0,0,0,2|1,0,1]=4 2919 B9R1.49 O=C1CC[C@H](Br)CCO1 Amb28458370 [0,0,0,0,0,2|1,0,1]=4 2920 B9R1.49 O=C1COC(=O)CCN1 Amb27168286 [0,0,0,0,0,2|0,0,0]=2 2921 B9R1.48 CC1=CC(=O)CCCC1 Amb17593284 [0,0,0,0,0,2|2,0,0]=4 2922 B9R1.48 CC1=CC(=O)NCCO1 Amb24451309 [0,0,0,0,0,2|2,0,0]=4 2923 B9R1.48 CC1=NCCNC(=O)C1 Amb28187399 [0,0,0,0,0,2|2,0,0]=4 2924 B9R1.48 CC1CCCCC(=O)O1 Amb27792220 [0,0,0,0,0,2|1,0,1]=4 2925 B9R1.48 O=C1CCCCC(=O)C1 Amb10603368 [0,0,0,0,0,2|1,0,0]=3 2926 B9R1.48 O=C1CCCCC(=O)N1 Amb8439258 [0,0,0,0,0,2|1,0,0]=3 2927 B9R1.48 O=C1CCCCC(=O)O1 Amb8487366 [0,0,0,0,0,2|0,0,0]=2 2928 B9R1.48 O=C1CCCCC(=S)N1 Amb24374795 [0,0,0,0,0,2|1,1,0]=4 2929 B9R1.48 O=C1CCCCC(O)O1 Amb27424648 [0,0,0,0,0,2|0,0,2]=4 2930 B9R1.48 O=C1CCCNC(=O)C1 Amb18832700 [0,0,0,0,0,2|1,0,0]=3 2931 B9R1.48 O=C1CCCSC(=S)N1 Amb27202292 [0,0,0,0,0,2|1,1,0]=4