0 B11R1.91 CC(=O)C#CC1=CC=CC=C1 SBB015101 [0,0,0,0,0,0|1,0,2]=3 1 B11R1.91 CC(=O)CCC1=CC=CC=C1 SBB058827 [0,0,0,0,0,0|1,0,0]=1 2 B11R1.91 CC(=O)NNC1=CC=CC=C1 SBB058004 [0,0,0,0,0,0|3,0,0]=3 3 B11R1.91 CC(=O)OCC1=CC=CC=C1 SBB058375 [0,0,0,0,0,0|2,0,0]=2 4 B11R1.91 CC(=O)O[I+]C1=CC=CC=C1 SBB057853 [0,0,0,0,0,0|3,0,0]=3 5 B11R1.91 CC(C)=CCC1=CC=CC=C1 SBB007979 [0,0,0,0,0,0|2,0,1]=3 6 B11R1.91 CC(C)NCC1=CC=CC=C1 SBB048017 [0,0,0,0,0,0|3,0,1]=4 7 B11R1.91 CC(N)CCC1=CC=CC=C1 SBB059846 [0,0,0,0,0,0|2,0,1]=3 8 B11R1.91 CC(N)COC1=CC=CC=C1 SBB084093 [0,0,0,0,0,0|3,0,1]=4 9 B11R1.91 CC(O)C#CC1=CC=CC=C1 SBB015100 [0,0,0,0,0,0|1,0,3]=4 10 B11R1.91 CN(C)CCC1=NC=CC=C1 SBB086734 [0,0,0,0,0,0|4,0,0]=4 11 B11R1.91 N=C(N)CSC1=CC=CC=C1 SBB055427 [0,0,0,0,0,0|3,0,0]=3 12 B11R1.91 NC(=O)CCC1=CC=CC=C1 SBB058119 [0,0,0,0,0,0|1,0,0]=1 13 B11R1.91 NC(=O)COC1=CC=CC=C1 SBB028296 [0,0,0,0,0,0|2,0,0]=2 14 B11R1.91 NC(=O)CSC1=CC=CC=N1 SBB113001 [0,0,0,0,0,0|3,0,0]=3 15 B11R1.91 NC(=O)NCC1=CC=CC=C1 SBB058548 [0,0,0,0,0,0|2,0,0]=2 16 B11R1.91 NC(=O)OCC1=CC=CC=C1 SBB058407 [0,0,0,0,0,0|2,0,0]=2 17 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 SBB004096 [0,0,0,0,0,0|1,0,2]=3 18 B11R1.91 NC(=S)CCC1=NC=CC=C1 SBB019122 [0,0,0,0,0,0|2,1,0]=3 19 B11R1.91 NC(=S)COC1=CC=CC=C1 SBB016514 [0,0,0,0,0,0|2,1,0]=3 20 B11R1.91 NC(=S)NCC1=CC=CC=C1 SBB088032 [0,0,0,0,0,0|2,1,0]=3 21 B11R1.91 NC(N)=NCC1=CC=CC=C1 SBB055108 [0,0,0,0,0,0|3,0,0]=3 22 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 SBB058859 [0,0,0,0,0,0|1,0,0]=1 23 B11R1.91 O=C(Cl)COC1=CC=CC=C1 SBB040630 [0,0,0,0,0,0|2,0,0]=2 24 B11R1.91 O=C(Cl)OCC1=CC=CC=C1 SBB063193 [0,0,0,0,0,0|2,0,0]=2 25 B11R1.91 O=C(Cl)\C=C\C1=CC=CC=C1 SBB040621 [0,0,0,0,0,0|1,0,2]=3 26 B11R1.91 O=C(O)C#CC1=CC=CC=C1 SBB044891 [0,0,0,0,0,0|0,0,2]=2 27 B11R1.91 O=C(O)CCC1=CC=CC=C1 SBB056662 [0,0,0,0,0,0|0,0,0]=0 28 B11R1.91 O=C(O)CCC1=CC=CC=N1 SBB018634 [0,0,0,0,0,0|1,0,0]=1 29 B11R1.91 O=C(O)CCC1=CC=NC=C1 SBB012865 [0,0,0,0,0,0|1,0,0]=1 30 B11R1.91 O=C(O)CCC1=CN=CC=C1 SBB028468 [0,0,0,0,0,0|1,0,0]=1 31 B11R1.91 O=C(O)CNC1=CC=CC=C1 SBB028637 [0,0,0,0,0,0|1,0,0]=1 32 B11R1.91 O=C(O)COC1=CC=CC=C1 SBB040522 [0,0,0,0,0,0|1,0,0]=1 33 B11R1.91 O=C(O)COC1=CC=CC=N1 SBB086897 [0,0,0,0,0,0|2,0,0]=2 34 B11R1.91 O=C(O)COC1=CN=CC=C1 SBB027277 [0,0,0,0,0,0|2,0,0]=2 35 B11R1.91 O=C(O)CSC1=CC=CC=C1 SBB001712 [0,0,0,0,0,0|1,0,0]=1 36 B11R1.91 O=C(O)CSC1=CC=NC=C1 SBB028482 [0,0,0,0,0,0|2,0,0]=2 37 B11R1.91 O=C(O)CSC1=NC=CC=C1 SBB010505 [0,0,0,0,0,0|2,0,0]=2 38 B11R1.91 O=C(O)CSC1=NC=CC=N1 SBB028483 [0,0,0,0,0,0|3,0,0]=3 39 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 SBB028745 [0,0,0,0,0,0|0,0,2]=2 40 B11R1.91 O=C(O)\C=C\C1=CC=CC=N1 SBB059539 [0,0,0,0,0,0|1,0,2]=3 41 B11R1.91 O=C(O)\C=C\C1=CC=NC=C1 SBB028466 [0,0,0,0,0,0|1,0,2]=3 42 B11R1.91 O=C(O)\C=C\C1=CN=CC=C1 SBB028467 [0,0,0,0,0,0|1,0,2]=3 43 B11R1.91 O=C(O)\C=C\C1=NC=CN=C1 SBB072995 [0,0,0,0,0,0|2,0,2]=4 44 B11R1.91 O=[N+]([O-])\C=C\C1=CC=CC=C1 SBB056972 [0,0,0,0,0,0|1,0,3]=4 45 B11R1.91 OB(O)CCC1=CC=CC=C1 SBB071100 [0,0,0,0,0,0|1,0,1]=2 46 B10R1.17 BrCCCC1=CN=CC=C1 SBB014930 [1,0,0,0,0,0|2,0,1]=4 47 B10R1.17 BrCCOC1=CC=CC=C1 SBB042586 [1,0,0,0,0,0|2,0,1]=4 48 B10R1.17 BrCCSC1=CC=CC=C1 SBB059699 [1,0,0,0,0,0|2,0,1]=4 49 B10R1.17 C#CCNC1=CC=CC=C1 SBB010262 [1,0,0,0,0,0|2,0,1]=4 50 B10R1.17 C#CCOC1=CC=CC=C1 SBB008983 [1,0,0,0,0,0|2,0,1]=4 51 B10R1.17 C(=O)CCC1=CC=CC=C1 SBB006730 [1,0,0,0,0,0|0,0,0]=1 52 B10R1.17 C(=O)NNC1=CC=CC=C1 SBB008261 [1,0,0,0,0,0|2,0,0]=3 53 B10R1.17 C=CCCC1=CC=CC=C1 SBB008476 [1,0,0,0,0,0|1,0,0]=2 54 B10R1.17 CCCNC1=CC=CC=C1 SBB059800 [1,0,0,0,0,0|2,0,1]=4 55 B10R1.17 CCCOC1=CC=CC=C1 SBB061098 [1,0,0,0,0,0|2,0,1]=4 56 B10R1.17 CCNCC1=CC=CC=C1 SBB058765 [1,0,0,0,0,0|2,0,1]=4 57 B10R1.17 CCOCC1=CC=CC=C1 SBB061196 [1,0,0,0,0,0|2,0,1]=4 58 B10R1.17 CCSCC1=CC=CC=C1 SBB061362 [1,0,0,0,0,0|2,0,1]=4 59 B10R1.17 CNCCC1=NC=CC=C1 SBB017551 [1,0,0,0,0,0|3,0,0]=4 60 B10R1.17 CNCCC1=NC=CC=C1 SBB040053 [1,0,0,0,0,0|3,0,0]=4 61 B10R1.17 ClCCCC1=CC=CC=C1 SBB061361 [1,0,0,0,0,0|1,0,1]=3 62 B10R1.17 ClCOCC1=CC=CC=C1 SBB064207 [1,0,0,0,0,0|2,0,1]=4 63 B10R1.17 ClCSCC1=CC=CC=C1 SBB055458 [1,0,0,0,0,0|2,0,1]=4 64 B10R1.17 N#CCCC1=NC=CC=C1 SBB018592 [1,0,0,0,0,0|2,0,1]=4 65 B10R1.17 N#CCOC1=CC=CC=C1 SBB016774 [1,0,0,0,0,0|2,0,1]=4 66 B10R1.17 N#CSCC1=CC=CC=C1 SBB056767 [1,0,0,0,0,0|2,0,1]=4 67 B10R1.17 N(CC=C)C1=CC=CC=C1 SBB004211 [1,0,0,0,0,0|2,0,0]=3 68 B10R1.17 NCCCC1=CC=CC=C1 SBB028248 [1,0,0,0,0,0|1,0,1]=3 69 B10R1.17 NCCCC1=CC=CC=N1 SBB012768 [1,0,0,0,0,0|2,0,1]=4 70 B10R1.17 NCCNC1=CC=CC=C1 SBB004200 [1,0,0,0,0,0|2,0,1]=4 71 B10R1.17 NCCOC1=CC=CC=C1 SBB085982 [1,0,0,0,0,0|2,0,1]=4 72 B10R1.17 NCCSC1=CC=CC=C1 SBB047720 [1,0,0,0,0,0|2,0,1]=4 73 B10R1.17 O=C=NCC1=CC=CC=C1 SBB048859 [1,0,0,0,0,0|1,0,1]=3 74 B10R1.17 O=COCC1=CC=CC=C1 SBB061238 [1,0,0,0,0,0|1,0,0]=2 75 B10R1.17 O=C\C=C\C1=CC=CC=C1 SBB028652 [1,0,0,0,0,0|0,0,2]=3 76 B10R1.17 OCC#CC1=CC=CC=C1 SBB015103 [1,0,0,0,0,0|0,0,3]=4 77 B10R1.17 OCCCC1=CC=CC=C1 SBB061127 [1,0,0,0,0,0|0,0,1]=2 78 B10R1.17 OCCCC1=CC=NC=C1 SBB072686 [1,0,0,0,0,0|1,0,1]=3 79 B10R1.17 OCCOC1=CC=CC=C1 SBB060485 [1,0,0,0,0,0|1,0,1]=3 80 B10R1.17 OC\C=C\C1=CC=CC=C1 SBB058645 [1,0,0,0,0,0|0,0,3]=4 81 B10R1.17 S=C=NCC1=CC=CC=C1 SBB002731 [1,0,0,0,0,0|1,1,1]=4 82 B10R1.17 [N-]=[N+]=NCC1=CC=CC=C1 SBB008183 [1,0,0,0,0,0|3,0,0]=4 83 B12R1.21 C=C(C)COC1=CC=C(N)C=C1 SBB080146 [0,1,0,0,0,0|3,0,0]=4 84 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 SBB056768 [0,1,0,0,0,0|1,0,0]=2 85 B12R1.21 CC(=O)COC1=CC=C(Cl)C=C1 SBB072870 [0,1,0,0,0,0|2,0,0]=3 86 B12R1.21 CC(=O)CSC1=CC=C(C)C=C1 SBB089710 [0,1,0,0,0,0|2,0,0]=3 87 B12R1.21 CC(=O)CSC1=CC=C(Cl)C=C1 SBB057983 [0,1,0,0,0,0|2,0,0]=3 88 B12R1.21 CC(=O)CSC1=CC=C(F)C=C1 SBB090182 [0,1,0,0,0,0|2,0,0]=3 89 B12R1.21 CC(=O)NCC1=CC=C(F)C=C1 SBB055227 [0,1,0,0,0,0|2,0,0]=3 90 B12R1.21 CC(=O)OCC1=CC=C(C)C=C1 SBB116862 [0,1,0,0,0,0|2,0,0]=3 91 B12R1.21 CC(=O)\C=C\C1=CC=C(Br)C=C1 SBB017373 [0,1,0,0,0,0|1,0,2]=4 92 B12R1.21 CC(=O)\C=C\C1=CC=C(Cl)C=C1 SBB089732 [0,1,0,0,0,0|1,0,2]=4 93 B12R1.21 CC(=O)\C=C\C1=CC=C(F)C=C1 SBB087791 [0,1,0,0,0,0|1,0,2]=4 94 B12R1.21 CC(N)CCC1=CC=C(Cl)C=C1 SBB010707 [0,1,0,0,0,0|2,0,1]=4 95 B12R1.21 CC(N)CCC1=CC=C(F)C=C1 SBB010486 [0,1,0,0,0,0|2,0,1]=4 96 B12R1.21 CC1=CC=C(CCC(=O)O)C=C1 SBB016295 [0,1,0,0,0,0|0,0,0]=1 97 B12R1.21 CC1=CC=C(CNC(N)=S)C=C1 SBB017712 [0,1,0,0,0,0|2,1,0]=4 98 B12R1.21 CC1=CC=C(NCC(=O)O)C=C1 SBB046297 [0,1,0,0,0,0|1,0,0]=2 99 B12R1.21 CC1=CC=C(OCC(=O)O)C=C1 SBB004531 [0,1,0,0,0,0|1,0,0]=2 100 B12R1.21 CC1=CC=C(SCC(=O)O)C=C1 SBB038335 [0,1,0,0,0,0|1,0,0]=2 101 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 SBB015822 [0,1,0,0,0,0|0,0,2]=3 102 B12R1.21 CC1=CC=C(\C=C\C(N)=O)C=C1 SBB113392 [0,1,0,0,0,0|1,0,2]=4 103 B12R1.21 N=C(N)COC1=CC=C(Cl)C=C1 SBB055295 [0,1,0,0,0,0|3,0,0]=4 104 B12R1.21 NC(=O)COC1=CC=C(F)C=C1 SBB088264 [0,1,0,0,0,0|2,0,0]=3 105 B12R1.21 NC(=O)COC1=CC=C(N)C=C1 SBB006760 [0,1,0,0,0,0|2,0,0]=3 106 B12R1.21 NC(=O)NCC1=CC=C(F)C=C1 SBB088171 [0,1,0,0,0,0|2,0,0]=3 107 B12R1.21 NC(=O)NNC1=CC=C(F)C=C1 SBB058365 [0,1,0,0,0,0|3,0,0]=4 108 B12R1.21 NC(=O)\C=C\C1=CC=C(Cl)C=C1 SBB008061 [0,1,0,0,0,0|1,0,2]=4 109 B12R1.21 NC(=S)COC1=CC=C(Cl)C=C1 SBB092833 [0,1,0,0,0,0|2,1,0]=4 110 B12R1.21 NC(=[S+]CC1=CC=C(Cl)C=C1)N SBB003234 [0,1,0,0,0,0|3,0,0]=4 111 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 SBB010089 [0,1,0,0,0,0|0,0,0]=1 112 B12R1.21 NC1=CC=C(OCC(=O)O)C=C1 SBB001635 [0,1,0,0,0,0|1,0,0]=2 113 B12R1.21 NC1=CC=C(\C=C\C(=O)O)C=C1 SBB003553 [0,1,0,0,0,0|0,0,2]=3 114 B12R1.21 O=C(Cl)COC1=CC=C(Cl)C=C1 SBB009959 [0,1,0,0,0,0|2,0,0]=3 115 B12R1.21 O=C(Cl)COC1=CC=C(F)C=C1 SBB010782 [0,1,0,0,0,0|2,0,0]=3 116 B12R1.21 O=C(O)CCC1=CC=C(Br)C=C1 SBB017617 [0,1,0,0,0,0|0,0,0]=1 117 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 SBB010179 [0,1,0,0,0,0|0,0,0]=1 118 B12R1.21 O=C(O)CCC1=CC=C(F)C=C1 SBB017621 [0,1,0,0,0,0|0,0,0]=1 119 B12R1.21 O=C(O)CCC1=CC=C(I)C=C1 SBB052832 [0,1,0,0,0,0|0,0,0]=1 120 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 SBB064098 [0,1,0,0,0,0|0,0,0]=1 121 B12R1.21 O=C(O)CNC1=CC=C(Cl)C=C1 SBB016740 [0,1,0,0,0,0|1,0,0]=2 122 B12R1.21 O=C(O)CNC1=CC=C(F)C=C1 SBB063172 [0,1,0,0,0,0|1,0,0]=2 123 B12R1.21 O=C(O)CNC1=CC=C(O)C=C1 SBB003884 [0,1,0,0,0,0|1,0,0]=2 124 B12R1.21 O=C(O)COC1=CC=C(Br)C=C1 SBB004535 [0,1,0,0,0,0|1,0,0]=2 125 B12R1.21 O=C(O)COC1=CC=C(Cl)C=C1 SBB004537 [0,1,0,0,0,0|1,0,0]=2 126 B12R1.21 O=C(O)COC1=CC=C(F)C=C1 SBB030014 [0,1,0,0,0,0|1,0,0]=2 127 B12R1.21 O=C(O)COC1=CC=C(I)C=C1 SBB063740 [0,1,0,0,0,0|1,0,0]=2 128 B12R1.21 O=C(O)CSC1=CC=C(F)C=C1 SBB052749 [0,1,0,0,0,0|1,0,0]=2 129 B12R1.21 O=C(O)\C=C\C1=CC=C(Br)C=C1 SBB059537 [0,1,0,0,0,0|0,0,2]=3 130 B12R1.21 O=C(O)\C=C\C1=CC=C(Cl)C=C1 SBB008203 [0,1,0,0,0,0|0,0,2]=3 131 B12R1.21 O=C(O)\C=C\C1=CC=C(F)C=C1 SBB005718 [0,1,0,0,0,0|0,0,2]=3 132 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 SBB007613 [0,1,0,0,0,0|0,0,2]=3 133 B12R1.21 OC(=O)CSC1=CC=C(Cl)C=C1 SBB003520 [0,1,0,0,0,0|1,0,0]=2 134 B12R1.27 C=CC(=O)OCC1=CC=CC=C1 SBB068279 [0,1,0,0,0,0|2,0,0]=3 135 B12R1.27 CC(CO)NCC1=CC=CC=C1 SBB010465 [0,1,0,0,0,0|2,0,1]=4 136 B12R1.27 CCC(=O)NNC1=CC=CC=C1 SBB007827 [0,1,0,0,0,0|3,0,0]=4 137 B12R1.27 CCC(=O)OCC1=CC=CC=C1 SBB061239 [0,1,0,0,0,0|2,0,0]=3 138 B12R1.27 CNC(=S)NCC1=CC=CC=C1 SBB017711 [0,1,0,0,0,0|2,1,0]=4 139 B12R1.27 COC(=O)CCC1=CN=CC=C1 SBB071440 [0,1,0,0,0,0|1,0,0]=2 140 B12R1.27 COC(=O)CSC1=CC=CC=C1 SBB089934 [0,1,0,0,0,0|1,0,0]=2 141 B12R1.27 COC(=O)NCC1=CC=CC=C1 SBB080563 [0,1,0,0,0,0|1,0,0]=2 142 B12R1.27 COC(=O)\C=C\C1=CC=CC=C1 SBB058222 [0,1,0,0,0,0|0,0,2]=3 143 B12R1.27 COC(=O)\C=C\C1=CC=NC=C1 SBB079292 [0,1,0,0,0,0|1,0,2]=4 144 B12R1.27 N#CC(=O)OCC1=CC=CC=C1 SBB057332 [0,1,0,0,0,0|2,0,0]=3 145 B12R1.27 NCC(=O)OCC1=CC=CC=C1 SBB063677 [0,1,0,0,0,0|2,0,0]=3 146 B12R1.27 NNC(=O)CCC1=CC=CC=C1 SBB000151 [0,1,0,0,0,0|1,0,0]=2 147 B12R1.27 NNC(=O)CNC1=CC=CC=C1 SBB019864 [0,1,0,0,0,0|2,0,0]=3 148 B12R1.27 NNC(=O)COC1=CC=CC=C1 SBB017408 [0,1,0,0,0,0|2,0,0]=3 149 B12R1.27 NNC(=O)CSC1=CC=CC=C1 SBB072377 [0,1,0,0,0,0|2,0,0]=3 150 B12R1.27 NNC(=O)CSC1=CC=CC=N1 SBB019866 [0,1,0,0,0,0|3,0,0]=4 151 B12R1.27 NNC(=O)OCC1=CC=CC=C1 SBB063031 [0,1,0,0,0,0|2,0,0]=3 152 B12R1.27 NNC(=S)NCC1=CC=CC=C1 SBB038438 [0,1,0,0,0,0|2,1,0]=4 153 B12R1.27 O=C(CBr)NCC1=CC=CC=C1 SBB080035 [0,1,0,0,0,0|2,0,0]=3 154 B12R1.27 O=C(CBr)OCC1=CC=CC=C1 SBB006752 [0,1,0,0,0,0|2,0,0]=3 155 B12R1.27 O=C(CCl)NCC1=CC=CC=C1 SBB038576 [0,1,0,0,0,0|2,0,0]=3 156 B12R1.27 O=C(CCl)OCC1=CC=CC=C1 SBB064876 [0,1,0,0,0,0|2,0,0]=3 157 B12R1.27 O=C(CS)OCC1=CC=CC=C1 SBB057444 [0,1,0,0,0,0|1,1,0]=3 158 B12R1.27 OC(CCl)COC1=CC=CC=C1 SBB061224 [0,1,0,0,0,0|2,0,1]=4 159 B12R1.27 OC(COC1=CC=CC=C1)CN SBB010049 [0,1,0,0,0,0|2,0,1]=4 160 B12R1.27 OC[C@H](O)COC1=CC=CC=C1 SBB088177 [0,1,0,0,0,0|1,0,2]=4 161 B12R1.43 CC(=O)C(N)CC1=CC=CC=C1 SBB014560 [0,1,0,0,0,0|1,0,0]=2 162 B12R1.43 CC(NC1=NC=CC=N1)C(=O)O SBB085505 [0,1,0,0,0,0|3,0,0]=4 163 B12R1.43 CC(OC1=CC=CC=C1)C(=O)Cl SBB050579 [0,1,0,0,0,0|2,0,0]=3 164 B12R1.43 CC(OC1=CC=CC=C1)C(=O)O SBB079963 [0,1,0,0,0,0|1,0,0]=2 165 B12R1.43 C\C(=C/C1=CC=CC=C1)C(=O)O SBB017509 [0,1,0,0,0,0|0,0,2]=3 166 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 SBB027287 [0,1,0,0,0,0|1,0,0]=2 167 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O SBB058700 [0,1,0,0,0,0|0,0,0]=1 168 B12R1.43 N[C@@H](CC1=CC=CN=C1)C(=O)O SBB065646 [0,1,0,0,0,0|1,0,0]=2 169 B12R1.43 N[C@H](CC1=CC=CC=N1)C(=O)O SBB065302 [0,1,0,0,0,0|1,0,0]=2 170 B12R1.43 N[C@H](CC1=CC=CN=C1)C(=O)O SBB065223 [0,1,0,0,0,0|1,0,0]=2 171 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 SBB012361 [0,1,0,0,0,0|0,0,1]=2 172 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 SBB012365 [0,1,0,0,0,0|0,0,0]=1 173 B12R1.43 O=C(O)\C(F)=C\C1=CC=CC=C1 SBB087976 [0,1,0,0,0,0|0,0,2]=3 174 B12R1.43 O=C(O)\C(S)=C/C1=CC=CC=C1 SBB043389 [0,1,0,0,0,0|0,0,2]=3 175 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 SBB040798 [0,1,0,0,0,0|1,0,1]=3 176 B12R1.107 CC(=O)NC(C)C1=CC=CC=C1 SBB058063 [0,1,0,0,0,0|2,0,0]=3 177 B12R1.107 CC(=O)\C=C(/N)C1=CC=CC=C1 SBB035905 [0,1,0,0,0,0|1,0,2]=4 178 B12R1.107 CC(NC(=N)N)C1=CC=CC=C1 SBB051565 [0,1,0,0,0,0|3,0,0]=4 179 B12R1.107 C\C(=C/C(=O)O)C1=CC=CC=C1 SBB052737 [0,1,0,0,0,0|0,0,2]=3 180 B12R1.107 NC(=O)CC(=O)C1=CC=CC=C1 SBB035909 [0,1,0,0,0,0|1,0,1]=3 181 B12R1.107 NC(=O)NC(=O)C1=CC=CC=C1 SBB057900 [0,1,0,0,0,0|2,0,1]=4 182 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 SBB001851 [0,1,0,0,0,0|0,0,0]=1 183 B12R1.107 O=C(C[N+](=O)[O-])C1=CC=CC=C1 SBB032958 [0,1,0,0,0,0|1,0,2]=4 184 B12R1.107 O=C(O)CC(Br)C1=CC=CC=C1 SBB008428 [0,1,0,0,0,0|0,0,0]=1 185 B12R1.107 O=C(O)CC(O)C1=CC=CC=C1 SBB063579 [0,1,0,0,0,0|0,0,0]=1 186 B12R1.107 O=[N+]([O-])CC(O)C1=CC=CC=C1 SBB001885 [0,1,0,0,0,0|1,0,1]=3 187 B12R1.125 C=C(C)COC1=CC=CC=C1N SBB080151 [0,1,0,0,0,0|3,0,0]=4 188 B12R1.125 CC(=O)NCC1=C(Br)C=CC=C1 SBB079113 [0,1,0,0,0,0|2,0,0]=3 189 B12R1.125 CC(=O)\C=C\C1=C(O)C=CC=C1 SBB087612 [0,1,0,0,0,0|1,0,2]=4 190 B12R1.125 CC1=C(OCC(=O)O)C=CC=C1 SBB004532 [0,1,0,0,0,0|1,0,0]=2 191 B12R1.125 CC1=CC=CC=C1CCC(=O)O SBB067749 [0,1,0,0,0,0|0,0,0]=1 192 B12R1.125 CC1=CC=CC=C1NCC(=O)O SBB016671 [0,1,0,0,0,0|1,0,0]=2 193 B12R1.125 CC1=CC=CC=C1\C=C\C(=O)O SBB003946 [0,1,0,0,0,0|0,0,2]=3 194 B12R1.125 N=C(N)COC1=CC=CC=C1Cl SBB055296 [0,1,0,0,0,0|3,0,0]=4 195 B12R1.125 NC(=O)COC1=CC=CC=C1Cl SBB116750 [0,1,0,0,0,0|2,0,0]=3 196 B12R1.125 NC(=S)COC1=CC=CC=C1Cl SBB092832 [0,1,0,0,0,0|2,1,0]=4 197 B12R1.125 O=C(O)CCC1=CC=CC=C1Br SBB064066 [0,1,0,0,0,0|0,0,0]=1 198 B12R1.125 O=C(O)CCC1=CC=CC=C1Cl SBB069087 [0,1,0,0,0,0|0,0,0]=1 199 B12R1.125 O=C(O)CCC1=CC=CC=C1F SBB010203 [0,1,0,0,0,0|0,0,0]=1 200 B12R1.125 O=C(O)CCC1=CC=CC=C1O SBB063739 [0,1,0,0,0,0|0,0,0]=1 201 B12R1.125 O=C(O)CCN1C=CC=CC1=O SBB072181 [0,1,0,0,0,0|1,0,0]=2 202 B12R1.125 O=C(O)CNC1=CC=CC=C1Cl SBB063875 [0,1,0,0,0,0|1,0,0]=2 203 B12R1.125 O=C(O)COC1=C(O)C=CC=C1 SBB080750 [0,1,0,0,0,0|1,0,0]=2 204 B12R1.125 O=C(O)COC1=CC=CC=C1Br SBB038788 [0,1,0,0,0,0|1,0,0]=2 205 B12R1.125 O=C(O)COC1=CC=CC=C1Cl SBB004546 [0,1,0,0,0,0|1,0,0]=2 206 B12R1.125 O=C(O)COC1=CC=CC=C1F SBB007049 [0,1,0,0,0,0|1,0,0]=2 207 B12R1.125 O=C(O)\C=C\C1=C(Cl)C=CC=C1 SBB015306 [0,1,0,0,0,0|0,0,2]=3 208 B12R1.125 O=C(O)\C=C\C1=C(F)C=CC=C1 SBB061928 [0,1,0,0,0,0|0,0,2]=3 209 B12R1.125 O=C(O)\C=C\C1=C(O)C=CC=C1 SBB065726 [0,1,0,0,0,0|0,0,2]=3 210 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1Br SBB050858 [0,1,0,0,0,0|0,0,2]=3 211 B12R1.226 C=C(C)COC1=CC(N)=CC=C1 SBB080148 [0,1,0,0,0,0|3,0,0]=4 212 B12R1.226 CC(=O)CCC1=CC(Br)=CC=C1 SBB055142 [0,1,0,0,0,0|1,0,0]=2 213 B12R1.226 CC(=O)\C=C\C1=CC=CC(Cl)=C1 SBB057836 [0,1,0,0,0,0|1,0,2]=4 214 B12R1.226 CC1=CC(NCC(=O)O)=CC=C1 SBB046298 [0,1,0,0,0,0|1,0,0]=2 215 B12R1.226 CC1=CC(OCC(=O)O)=CC=C1 SBB004530 [0,1,0,0,0,0|1,0,0]=2 216 B12R1.226 CC1=CC(\C=C\C(=O)O)=CC=C1 SBB006620 [0,1,0,0,0,0|0,0,2]=3 217 B12R1.226 CC1=CC=CC(CCC(=O)O)=C1 SBB067747 [0,1,0,0,0,0|0,0,0]=1 218 B12R1.226 CC1=CC=CC(\C=C\C(=O)O)=N1 SBB051583 [0,1,0,0,0,0|1,0,2]=4 219 B12R1.226 CC1=NC(SCC(=O)O)=NC=C1 SBB028505 [0,1,0,0,0,0|3,0,0]=4 220 B12R1.226 NC(=O)COC1=CC=CC(Cl)=C1 SBB090331 [0,1,0,0,0,0|2,0,0]=3 221 B12R1.226 NC(=O)NNC1=CC(F)=CC=C1 SBB088267 [0,1,0,0,0,0|3,0,0]=4 222 B12R1.226 NC(=S)COC1=CC(Cl)=CC=C1 SBB092831 [0,1,0,0,0,0|2,1,0]=4 223 B12R1.226 NC1=CC(\C=C\C(=O)O)=CC=C1 SBB043435 [0,1,0,0,0,0|0,0,2]=3 224 B12R1.226 NC1=CC=CC(CCC(=O)O)=C1 SBB028355 [0,1,0,0,0,0|0,0,0]=1 225 B12R1.226 O=C(O)CCC1=CC(F)=CC=C1 SBB010231 [0,1,0,0,0,0|0,0,0]=1 226 B12R1.226 O=C(O)CCC1=CC(O)=CC=C1 SBB057915 [0,1,0,0,0,0|0,0,0]=1 227 B12R1.226 O=C(O)CCC1=CC=CC(Br)=C1 SBB063235 [0,1,0,0,0,0|0,0,0]=1 228 B12R1.226 O=C(O)CCC1=CC=CC(Cl)=C1 SBB005906 [0,1,0,0,0,0|0,0,0]=1 229 B12R1.226 O=C(O)COC1=CC(Br)=CC=C1 SBB015442 [0,1,0,0,0,0|1,0,0]=2 230 B12R1.226 O=C(O)COC1=CC=CC(Cl)=C1 SBB043647 [0,1,0,0,0,0|1,0,0]=2 231 B12R1.226 O=C(O)COC1=CC=CC(F)=C1 SBB027407 [0,1,0,0,0,0|1,0,0]=2 232 B12R1.226 O=C(O)\C=C\C1=CC(O)=CC=C1 SBB057740 [0,1,0,0,0,0|0,0,2]=3 233 B12R1.226 O=C(O)\C=C\C1=CC=CC(Br)=C1 SBB042541 [0,1,0,0,0,0|0,0,2]=3 234 B12R1.226 OC(=O)\C=C\C1=CC(Cl)=CC=C1 SBB012383 [0,1,0,0,0,0|0,0,2]=3 235 B12R1.226 OC(=O)\C=C\C1=CC(F)=CC=C1 SBB006621 [0,1,0,0,0,0|0,0,2]=3 236 B12R1.891 NS(=O)(=O)NCC1=CC=CC=C1 SBB026050 [0,1,0,0,0,0|2,0,1]=4 237 B12R1.891 O=P(O)(O)C#CC1=CC=CC=C1 SBB057375 [0,1,0,0,0,0|1,0,2]=4 238 B12R1.891 O=P(O)(O)CCC1=CC=CC=C1 SBB057482 [0,1,0,0,0,0|1,0,0]=2 239 B12R1.891 O=P(O)(O)\C=C\C1=CC=CC=C1 SBB060111 [0,1,0,0,0,0|1,0,2]=4 240 B12R1.891 O=S(=O)(Cl)CCC1=CC=CC=C1 SBB018064 [0,1,0,0,0,0|1,0,1]=3 241 B12R1.891 O=S(=O)(O)CCC1=CC=CC=N1 SBB008555 [0,1,0,0,0,0|2,0,0]=3 242 B12R1.891 O=S(=O)(O)CCC1=CC=NC=C1 SBB057700 [0,1,0,0,0,0|2,0,0]=3 243 B12R1.891 O=S(=O)(O)CCC1=CC=NC=C1 SBB072726 [0,1,0,0,0,0|2,0,0]=3 244 B12R1.891 O=S(=O)(O)CCC1=NC=CC=C1 SBB057680 [0,1,0,0,0,0|2,0,0]=3 245 B12R2.24 CC1CCC2=CC=CC=C2N1 SBB039108 [0,0,0,1,0,0|2,0,1]=4 246 B12R2.24 CC1CNC2=CC=CC=C2O1 SBB080829 [0,0,0,1,0,0|2,0,1]=4 247 B12R2.24 NC1CCC2=C(C=CC=C2)C1 SBB072624 [0,0,0,1,0,0|2,0,1]=4 248 B12R2.24 O=C1C=CC2=C(C=CC=C2)O1 SBB000094 [0,0,0,1,0,0|0,0,2]=3 249 B12R2.24 O=C1C=CC2=CC=CC=C2N1 SBB004119 [0,0,0,1,0,0|1,0,2]=4 250 B12R2.24 O=C1CC2=C(C=CC=C2)CO1 SBB068599 [0,0,0,1,0,0|2,0,0]=3 251 B12R2.24 O=C1CCC2=C(C=CC=C2)O1 SBB058834 [0,0,0,1,0,0|0,0,0]=1 252 B12R2.24 O=C1CCC2=CC=CC=C2N1 SBB056014 [0,0,0,1,0,0|1,0,0]=2 253 B12R2.24 O=C1CCN2C=CC=CC2=N1 SBB058237 [0,0,0,1,0,0|2,0,0]=3 254 B12R2.24 O=C1CNC2=C(C=CC=C2)N1 SBB017923 [0,0,0,1,0,0|2,0,0]=3 255 B12R2.24 O=C1COC2=C(N=CC=C2)N1 SBB006815 [0,0,0,1,0,0|3,0,0]=4 256 B12R2.24 O=C1COC2=CC=CC=C2N1 SBB016409 [0,0,0,1,0,0|2,0,0]=3 257 B12R2.24 O=C1CSC2=C(C=CC=C2)N1 SBB061807 [0,0,0,1,0,0|2,0,0]=3 258 B12R2.24 OC1=CC2=C(C=CC=C2)N=C1 SBB059635 [0,0,0,1,0,0|2,0,1]=4 259 B12R2.24 OC1=CC2=CC=CC=C2C=C1 SBB040896 [0,0,0,1,0,0|1,0,2]=4 260 B12R2.24 OC1=NC2=CC=CC=C2N=C1 SBB056025 [0,0,0,1,0,0|2,0,1]=4 261 B12R2.24 OC1CCC2=C(C=CC=C2)C1 SBB008511 [0,0,0,1,0,0|1,0,1]=3 262 B12R2.2057 C1=CC=C(OCC2CO2)C=C1 SBB060525 [0,0,0,1,0,0|2,0,1]=4 263 B12R2.3190 O=C(O)C1CC2=CC=CC=C21 SBB053554 [0,0,0,1,0,0|0,0,0]=1 264 B10R1.18 CC(=O)CC1=CC=NC=C1 SBB055597 [0,0,0,0,1,0|2,0,0]=3 265 B10R1.18 CC(=O)NC1=CC=CC=C1 SBB040833 [0,0,0,0,1,0|2,0,0]=3 266 B10R1.18 CC(=O)NC1=CC=CC=N1 SBB085932 [0,0,0,0,1,0|3,0,0]=4 267 B10R1.18 CC(=O)NC1=CC=NC=C1 SBB085931 [0,0,0,0,1,0|3,0,0]=4 268 B10R1.18 CC(=O)OC1=CC=CC=C1 SBB058747 [0,0,0,0,1,0|2,0,0]=3 269 B10R1.18 CC(=S)NC1=CC=CC=C1 SBB086797 [0,0,0,0,1,0|2,1,0]=4 270 B10R1.18 CN(C)CC1=CC=CC=C1 SBB060233 [0,0,0,0,1,0|3,0,0]=4 271 B10R1.18 N=C(N)CC1=CC=CC=N1 SBB019209 [0,0,0,0,1,0|3,0,0]=4 272 B10R1.18 N=C(N)CC1=CC=CN=C1 SBB019447 [0,0,0,0,1,0|3,0,0]=4 273 B10R1.18 NC(=O)CC1=CC=CC=C1 SBB017634 [0,0,0,0,1,0|1,0,0]=2 274 B10R1.18 NC(=O)NC1=CC=CC=C1 SBB058197 [0,0,0,0,1,0|2,0,0]=3 275 B10R1.18 NC(=S)CC1=CC=CC=C1 SBB016517 [0,0,0,0,1,0|1,1,0]=3 276 B10R1.18 NC(=S)NC1=CC=CC=C1 SBB036022 [0,0,0,0,1,0|2,1,0]=4 277 B10R1.18 NC(N)=NC1=CC=CC=C1 SBB055106 [0,0,0,0,1,0|3,0,0]=4 278 B10R1.18 O=C(Cl)CC1=CC=CC=C1 SBB040622 [0,0,0,0,1,0|1,0,0]=2 279 B10R1.18 O=C(Cl)OC1=CC=CC=C1 SBB060851 [0,0,0,0,1,0|2,0,0]=3 280 B10R1.18 O=C(O)CC1=CC=CN=C1 SBB003812 [0,0,0,0,1,0|1,0,0]=2 281 B10R1.18 O=C(O)CC1=NC=CC=C1 SBB003810 [0,0,0,0,1,0|1,0,0]=2 282 B10R1.18 OB(O)CC1=CC=CC=C1 SBB052526 [0,0,0,0,1,0|1,0,1]=3 283 B10R1.18 OC(=O)CC1=CC=NC=C1 SBB005759 [0,0,0,0,1,0|1,0,0]=2 284 B10R1.18 [NH2+](C(=O)Cl)C1=CC=CC=C1 SBB060746 [0,0,0,0,1,0|2,0,0]=3 285 B10R1.66 CC(=O)CCN1C=CC=N1 SBB047979 [0,0,0,0,1,0|3,0,0]=4 286 B10R1.66 CC(=O)OCC1=CC=CO1 SBB055767 [0,0,0,0,1,0|3,0,0]=4 287 B10R1.66 CC(=O)SCC1=CC=CO1 SBB057323 [0,0,0,0,1,0|3,0,0]=4 288 B10R1.66 O=C(O)CCC1=CC=NO1 SBB013802 [0,0,0,0,1,0|2,0,0]=3 289 B10R1.66 O=C(O)CCN1C=CC=C1 SBB010274 [0,0,0,0,1,0|1,0,0]=2 290 B10R1.66 O=C(O)CCN1C=CC=N1 SBB047343 [0,0,0,0,1,0|2,0,0]=3 291 B10R1.66 O=C(O)CCN1C=CN=C1 SBB007368 [0,0,0,0,1,0|2,0,0]=3 292 B10R1.66 O=C(O)CCN1C=NC=N1 SBB007386 [0,0,0,0,1,0|3,0,0]=4 293 B10R1.66 O=C(O)\C=C\C1=COC=C1 SBB004191 [0,0,0,0,1,0|1,0,2]=4 294 B10R1.66 O=C(O)\C=C\C1=CSC=C1 SBB004033 [0,0,0,0,1,0|1,0,2]=4 295 B10R1.66 OC(=O)CCC1=CC=CO1 SBB005449 [0,0,0,0,1,0|1,0,0]=2 296 B10R1.66 OC(=O)\C=C\C1=CC=CO1 SBB004189 [0,0,0,0,1,0|1,0,2]=4 297 B10R1.66 OC(=O)\C=C\C1=CC=CS1 SBB004032 [0,0,0,0,1,0|1,0,2]=4 298 B12R1.252 CC(=O)CCCC1=CC=CC=N1 SBB018700 [0,0,0,0,0,1|2,0,0]=3 299 B12R1.252 CC(=O)CSCC1=CC=CC=C1 SBB058580 [0,0,0,0,0,1|1,0,0]=2 300 B12R1.252 CC(=O)NCCC1=CC=CC=C1 SBB058213 [0,0,0,0,0,1|1,0,0]=2 301 B12R1.252 CC(=O)OCCC1=CC=CC=C1 SBB061194 [0,0,0,0,0,1|1,0,0]=2 302 B12R1.252 CC(=O)\C=N\NC1=CC=CC=C1 SBB056716 [0,0,0,0,0,1|2,0,1]=4 303 B12R1.252 CC(C)NCCC1=CC=CC=C1 SBB080102 [0,0,0,0,0,1|2,0,1]=4 304 B12R1.252 CC(N)CCCC1=CC=CC=C1 SBB010444 [0,0,0,0,0,1|2,0,1]=4 305 B12R1.252 FC(F)CNCC1=CC=CC=C1 SBB046667 [0,0,0,0,0,1|2,0,1]=4 306 B12R1.252 N=C(N)NCCC1=CC=CC=C1 SBB102430 [0,0,0,0,0,1|2,0,0]=3 307 B12R1.252 NC(=O)CCCC1=CC=CC=C1 SBB051450 [0,0,0,0,0,1|1,0,0]=2 308 B12R1.252 NC(=O)N\N=C\C1=CC=CC=C1 SBB087692 [0,0,0,0,0,1|2,0,1]=4 309 B12R1.252 NC(=S)NCCC1=CC=CC=C1 SBB017394 [0,0,0,0,0,1|1,1,0]=3 310 B12R1.252 O=C(Cl)CCCC1=CC=CC=C1 SBB040702 [0,0,0,0,0,1|1,0,0]=2 311 B12R1.252 O=C(Cl)COCC1=CC=CC=C1 SBB063195 [0,0,0,0,0,1|1,0,0]=2 312 B12R1.252 O=C(O)CCCC1=CC=CC=C1 SBB008452 [0,0,0,0,0,1|0,0,0]=1 313 B12R1.252 O=C(O)CCCC1=CC=CC=N1 SBB014662 [0,0,0,0,0,1|1,0,0]=2 314 B12R1.252 O=C(O)CCCC1=CC=NC=C1 SBB014669 [0,0,0,0,0,1|1,0,0]=2 315 B12R1.252 O=C(O)CCSC1=CC=CC=C1 SBB049906 [0,0,0,0,0,1|0,0,0]=1 316 B12R1.252 O=C(O)CCSC1=CC=CC=N1 SBB103611 [0,0,0,0,0,1|1,0,0]=2 317 B12R1.252 O=C(O)CNCC1=CC=CC=C1 SBB003529 [0,0,0,0,0,1|0,0,0]=1 318 B12R1.252 O=C(O)CNCC1=CC=CC=C1 SBB063075 [0,0,0,0,0,1|0,0,0]=1 319 B12R1.252 O=C(O)COCC1=CC=CC=C1 SBB048109 [0,0,0,0,0,1|0,0,0]=1 320 B12R1.252 O=C(O)CSCC1=CC=CC=C1 SBB042552 [0,0,0,0,0,1|0,0,0]=1 321 B12R1.252 OC(=O)CCOC1=CC=CC=C1 SBB003895 [0,0,0,0,0,1|0,0,0]=1 322 B9R1.8 BrCCC1=CC=CC=C1 SBB059945 [2,0,0,0,0,0|1,0,0]=3 323 B9R1.8 BrCCC1=NC=CC=C1 SBB014931 [2,0,0,0,0,0|2,0,0]=4 324 B9R1.8 CCCC1=CC=CC=C1 SBB061210 [2,0,0,0,0,0|0,0,1]=3 325 B9R1.8 CCNC1=CC=CC=C1 SBB058818 [2,0,0,0,0,0|1,0,1]=4 326 B9R1.8 CNCC1=CC=CC=C1 SBB073015 [2,0,0,0,0,0|1,0,1]=4 327 B9R1.8 COCC1=CC=CC=C1 SBB063549 [2,0,0,0,0,0|1,0,1]=4 328 B9R1.8 ClCCC1=NC=CC=C1 SBB014886 [2,0,0,0,0,0|2,0,0]=4 329 B9R1.8 N#CCC1=CC=CC=C1 SBB058386 [2,0,0,0,0,0|1,0,1]=4 330 B9R1.8 NCCC1=CC=CC=C1 SBB058801 [2,0,0,0,0,0|1,0,0]=3 331 B9R1.8 NCCC1=CC=CN=C1 SBB028204 [2,0,0,0,0,0|2,0,0]=4 332 B9R1.8 NCCC1=CC=CN=C1 SBB052465 [2,0,0,0,0,0|2,0,0]=4 333 B9R1.8 NCCC1=CC=NC=C1 SBB014221 [2,0,0,0,0,0|2,0,0]=4 334 B9R1.8 NCCC1=NC=CC=C1 SBB028206 [2,0,0,0,0,0|2,0,0]=4 335 B9R1.8 NNCC1=CC=CC=C1 SBB063024 [2,0,0,0,0,0|2,0,0]=4 336 B9R1.8 NOCC1=CC=CC=C1 SBB003971 [2,0,0,0,0,0|2,0,0]=4 337 B9R1.8 NOCC1=CC=CC=C1 SBB032957 [2,0,0,0,0,0|2,0,0]=4 338 B9R1.8 O=CCC1=CC=CC=C1 SBB061710 [2,0,0,0,0,0|0,0,0]=2 339 B9R1.8 O=CNC1=CC=CC=C1 SBB058769 [2,0,0,0,0,0|1,0,0]=3 340 B9R1.8 O=S=NC1=CC=CC=C1 SBB007761 [2,0,0,0,0,0|2,0,0]=4 341 B9R1.8 OCCC1=CC=CC=C1 SBB040879 [2,0,0,0,0,0|0,0,0]=2 342 B9R1.8 SCCC1=CC=NC=C1 SBB065275 [2,0,0,0,0,0|1,1,0]=4 343 B11R1.1 C(=O)NNC1=CC=C(C)C=C1 SBB008283 [1,1,0,0,0,0|2,0,0]=4 344 B11R1.1 C=CCCC1=CC=C(F)C=C1 SBB008824 [1,1,0,0,0,0|1,0,0]=3 345 B11R1.1 C=CCOC1=CC=C(N)C=C1 SBB079900 [1,1,0,0,0,0|2,0,0]=4 346 B11R1.1 CC1=CC=C(NCCO)C=C1 SBB010327 [1,1,0,0,0,0|1,0,1]=4 347 B11R1.1 CCCCC1=CC=C(Cl)C=C1 SBB116909 [1,1,0,0,0,0|1,0,1]=4 348 B11R1.1 CCCCC1=CC=C(N)C=C1 SBB008298 [1,1,0,0,0,0|1,0,1]=4 349 B11R1.1 CCCCC1=CC=C(O)C=C1 SBB059153 [1,1,0,0,0,0|1,0,1]=4 350 B11R1.1 N#CCCC1=CC=C(O)C=C1 SBB055251 [1,1,0,0,0,0|1,0,1]=4 351 B11R1.1 NC1=CC=C(NCCO)C=C1 SBB006780 [1,1,0,0,0,0|1,0,1]=4 352 B11R1.1 NC1=CC=C(OCCO)C=C1 SBB024256 [1,1,0,0,0,0|1,0,1]=4 353 B11R1.1 NCCCC1=CC=C(Cl)C=C1 SBB010509 [1,1,0,0,0,0|1,0,1]=4 354 B11R1.1 OCCCC1=CC=C(Cl)C=C1 SBB055172 [1,1,0,0,0,0|0,0,1]=3 355 B11R1.1 OCCSC1=CC=C(Cl)C=C1 SBB090866 [1,1,0,0,0,0|1,0,1]=4 356 B11R1.16 CC(CCN)C1=CC=CC=C1 SBB085501 [1,1,0,0,0,0|1,0,1]=4 357 B11R1.16 CC(N=C=O)C1=CC=CC=C1 SBB023344 [1,1,0,0,0,0|1,0,1]=4 358 B11R1.16 CC(NC=O)C1=CC=CC=C1 SBB068791 [1,1,0,0,0,0|1,0,0]=3 359 B11R1.16 CCC[C@@H](N)C1=CC=CC=C1 SBB070021 [1,1,0,0,0,0|1,0,1]=4 360 B11R1.16 CN(CCO)C1=CC=CC=C1 SBB007818 [1,1,0,0,0,0|1,0,1]=4 361 B11R1.16 CNCC(C)C1=CC=CC=C1 SBB028094 [1,1,0,0,0,0|2,0,0]=4 362 B11R1.17 C=CCOC1=C(C)C=CC=C1 SBB008365 [1,1,0,0,0,0|2,0,0]=4 363 B11R1.17 C=CCOC1=C(N)C=CC=C1 SBB010317 [1,1,0,0,0,0|2,0,0]=4 364 B11R1.17 C=CCOC1=C(N)C=CC=C1 SBB080031 [1,1,0,0,0,0|2,0,0]=4 365 B11R1.17 CC1=CC=CC=C1NCCO SBB007819 [1,1,0,0,0,0|1,0,1]=4 366 B11R1.17 NC1=CC=CC=C1OCCO SBB024257 [1,1,0,0,0,0|1,0,1]=4 367 B11R1.17 NCCCC1=CC=CC=C1Cl SBB010508 [1,1,0,0,0,0|1,0,1]=4 368 B11R1.17 OCCOC1=C(O)C=CC=C1 SBB008523 [1,1,0,0,0,0|1,0,1]=4 369 B11R1.24 CC1=CC=CC(CCCO)=N1 SBB047991 [1,1,0,0,0,0|1,0,1]=4 370 B11R1.24 N#CCCC1=CC(Br)=CC=C1 SBB058929 [1,1,0,0,0,0|1,0,1]=4 371 B11R1.24 NC1=CC(OCCO)=CC=C1 SBB085153 [1,1,0,0,0,0|1,0,1]=4 372 B11R1.28 C#CCNCC1=CC=CC=C1 SBB300092 [1,1,0,0,0,0|1,0,1]=4 373 B11R1.28 CCCCCC1=CC=CC=C1 SBB057141 [1,1,0,0,0,0|1,0,1]=4 374 B11R1.28 CCCCNC1=CC=CC=C1 SBB058812 [1,1,0,0,0,0|1,0,1]=4 375 B11R1.28 CCCCOC1=CC=CC=C1 SBB060061 [1,1,0,0,0,0|1,0,1]=4 376 B11R1.28 CCCNCC1=CC=CC=C1 SBB080024 [1,1,0,0,0,0|1,0,1]=4 377 B11R1.28 CCCOCC1=CC=CC=C1 SBB061197 [1,1,0,0,0,0|1,0,1]=4 378 B11R1.28 CNCCOC1=CC=CC=C1 SBB027283 [1,1,0,0,0,0|2,0,0]=4 379 B11R1.28 COCCSC1=CC=CC=C1 SBB116878 [1,1,0,0,0,0|1,0,1]=4 380 B11R1.28 ClCCCOC1=CC=CC=C1 SBB300461 [1,1,0,0,0,0|1,0,1]=4 381 B11R1.28 ClCCNCC1=CC=CC=C1 SBB052393 [1,1,0,0,0,0|1,0,1]=4 382 B11R1.28 N#CCCNC1=CC=CC=C1 SBB004106 [1,1,0,0,0,0|1,0,1]=4 383 B11R1.28 NCCCOC1=CC=CC=C1 SBB043657 [1,1,0,0,0,0|1,0,1]=4 384 B11R1.28 NCCCSC1=CC=CC=C1 SBB071863 [1,1,0,0,0,0|1,0,1]=4 385 B11R1.28 NCCNCC1=CC=CC=C1 SBB028295 [1,1,0,0,0,0|1,0,1]=4 386 B11R1.28 NCCOCC1=CC=CC=C1 SBB050278 [1,1,0,0,0,0|1,0,1]=4 387 B11R1.28 NCCOCC1=CC=CC=C1 SBB055150 [1,1,0,0,0,0|1,0,1]=4 388 B11R1.28 NCCSCC1=CC=CC=C1 SBB003512 [1,1,0,0,0,0|1,0,1]=4 389 B11R1.28 O=C=NCCC1=CC=CC=C1 SBB048864 [1,1,0,0,0,0|0,0,1]=3 390 B11R1.28 OCCNCC1=CC=CC=C1 SBB004062 [1,1,0,0,0,0|0,0,1]=3 391 B11R1.28 OCCNCC1=CC=CN=C1 SBB010335 [1,1,0,0,0,0|1,0,1]=4 392 B11R1.28 OCCNCC1=NC=CC=C1 SBB110041 [1,1,0,0,0,0|1,0,1]=4 393 B11R1.28 OCCOCC1=CC=CC=C1 SBB063066 [1,1,0,0,0,0|0,0,1]=3 394 B11R1.28 OCCSCC1=CC=CC=C1 SBB058901 [1,1,0,0,0,0|0,0,1]=3 395 B11R1.28 O\N=C\C=C\C1=CC=CC=C1 SBB108738 [1,1,0,0,0,0|0,0,2]=4 396 B11R1.28 S=C=NCCC1=CC=CC=C1 SBB002732 [1,1,0,0,0,0|0,1,1]=4 397 B11R1.40 C\C(C=O)=C/C1=CC=CC=C1 SBB040229 [1,1,0,0,0,0|0,0,2]=4 398 B11R1.40 N\C(CC1=CC=CC=C1)=N/O SBB055188 [1,1,0,0,0,0|1,0,1]=4 399 B11R1.40 O=C(CC1=CC=CC=C1)NO SBB086771 [1,1,0,0,0,0|1,0,1]=4 400 B11R1.40 O=C\C(Br)=C\C1=CC=CC=C1 SBB040238 [1,1,0,0,0,0|0,0,2]=4 401 B11R1.20 CC(=O)CC1=CC=C(Br)C=C1 SBB058424 [0,1,0,0,1,0|1,0,0]=3 402 B11R1.20 CC(=O)CC1=CC=C(F)C=C1 SBB086853 [0,1,0,0,1,0|1,0,0]=3 403 B11R1.20 CC(=O)NC1=CC=C(Br)C=C1 SBB054161 [0,1,0,0,1,0|2,0,0]=4 404 B11R1.20 CC(=O)NC1=CC=C(C)C=C1 SBB059339 [0,1,0,0,1,0|2,0,0]=4 405 B11R1.20 CC(=O)NC1=CC=C(Cl)C=C1 SBB058218 [0,1,0,0,1,0|2,0,0]=4 406 B11R1.20 CC(=O)NC1=CC=C(F)C=C1 SBB086906 [0,1,0,0,1,0|2,0,0]=4 407 B11R1.20 CC(=O)NC1=CC=C(N)C=C1 SBB028292 [0,1,0,0,1,0|2,0,0]=4 408 B11R1.20 CC(=O)NC1=CC=C(N)C=C1 SBB090514 [0,1,0,0,1,0|2,0,0]=4 409 B11R1.20 CC(=O)NC1=CC=C(O)C=C1 SBB043758 [0,1,0,0,1,0|2,0,0]=4 410 B11R1.20 CC(=O)OC1=CC=C(C)C=C1 SBB060032 [0,1,0,0,1,0|2,0,0]=4 411 B11R1.20 CC(=O)OC1=CC=C(F)C=C1 SBB086983 [0,1,0,0,1,0|2,0,0]=4 412 B11R1.20 CC1=CC=C(CC(=O)O)C=C1 SBB063734 [0,1,0,0,1,0|0,0,0]=2 413 B11R1.20 CC1=CC=C(CC(N)=S)C=C1 SBB087944 [0,1,0,0,1,0|1,1,0]=4 414 B11R1.20 CC1=CC=C(NC(N)=O)C=C1 SBB028290 [0,1,0,0,1,0|2,0,0]=4 415 B11R1.20 NC(=O)CC1=CC=C(O)C=C1 SBB028300 [0,1,0,0,1,0|1,0,0]=3 416 B11R1.20 NC(=O)NC1=CC=C(F)C=C1 SBB062099 [0,1,0,0,1,0|2,0,0]=4 417 B11R1.20 NC(=S)CC1=CC=C(Br)C=C1 SBB055187 [0,1,0,0,1,0|1,1,0]=4 418 B11R1.20 NC(=S)CC1=CC=C(Cl)C=C1 SBB055366 [0,1,0,0,1,0|1,1,0]=4 419 B11R1.20 NC1=CC=C(CC(=O)O)C=C1 SBB028301 [0,1,0,0,1,0|0,0,0]=2 420 B11R1.20 O=C(Cl)CC1=CC=C(Cl)C=C1 SBB005859 [0,1,0,0,1,0|1,0,0]=3 421 B11R1.20 O=C(Cl)CC1=CC=C(F)C=C1 SBB067909 [0,1,0,0,1,0|1,0,0]=3 422 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 SBB042842 [0,1,0,0,1,0|0,0,0]=2 423 B11R1.20 O=C(O)CC1=CC=C(Br)C=N1 SBB062888 [0,1,0,0,1,0|1,0,0]=3 424 B11R1.20 O=C(O)CC1=CC=C(Cl)C=C1 SBB008374 [0,1,0,0,1,0|0,0,0]=2 425 B11R1.20 O=C(O)CC1=CC=C(Cl)N=C1 SBB027117 [0,1,0,0,1,0|1,0,0]=3 426 B11R1.20 O=C(O)CC1=CC=C(F)C=C1 SBB052671 [0,1,0,0,1,0|0,0,0]=2 427 B11R1.20 O=C(O)CC1=CC=C(I)C=C1 SBB052672 [0,1,0,0,1,0|0,0,0]=2 428 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 SBB059600 [0,1,0,0,1,0|0,0,0]=2 429 B11R1.20 O=C1C=CN(CC(=O)O)C=C1 SBB017930 [0,1,0,0,1,0|1,0,0]=3 430 B11R1.20 SC1=CC=C(NC(C)=O)C=C1 SBB003881 [0,1,0,0,1,0|2,0,0]=4 431 B11R1.36 C=C(C(=O)O)C1=CC=CC=C1 SBB063201 [0,1,0,0,1,0|0,0,1]=3 432 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 SBB064017 [0,1,0,0,1,0|1,0,1]=4 433 B11R1.36 CC(=O)C(N)C1=CC=CC=C1 SBB055478 [0,1,0,0,1,0|1,0,0]=3 434 B11R1.36 CC(=O)N(C)C1=CC=CC=C1 SBB086654 [0,1,0,0,1,0|2,0,0]=4 435 B11R1.36 CC(=O)N(O)C1=CC=CC=C1 SBB058639 [0,1,0,0,1,0|2,0,0]=4 436 B11R1.36 CC(C(=O)O)C1=CC=CC=C1 SBB007855 [0,1,0,0,1,0|0,0,0]=2 437 B11R1.36 NC(=O)C(N)C1=CC=CC=C1 SBB017231 [0,1,0,0,1,0|1,0,0]=3 438 B11R1.36 NC(=O)C(O)C1=CC=CC=C1 SBB028298 [0,1,0,0,1,0|1,0,0]=3 439 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 SBB056598 [0,1,0,0,1,0|0,0,0]=2 440 B11R1.36 N[C@@H](C(=O)O)C1=CCC=CC1 SBB058321 [0,1,0,0,1,0|0,0,2]=4 441 B11R1.36 O=C(Cl)C(Cl)C1=CC=CC=C1 SBB007783 [0,1,0,0,1,0|1,0,0]=3 442 B11R1.36 O=C(O)C(=O)C1=CC=CC=C1 SBB057084 [0,1,0,0,1,0|0,0,1]=3 443 B11R1.36 O=C(O)C(Br)C1=CC=CC=C1 SBB007654 [0,1,0,0,1,0|0,0,0]=2 444 B11R1.36 O=C(O)C(F)C1=CC=CC=C1 SBB086979 [0,1,0,0,1,0|0,0,0]=2 445 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 SBB007730 [0,1,0,0,1,0|0,0,0]=2 446 B11R1.36 O=C(O)C(S)C1=CC=CC=C1 SBB017395 [0,1,0,0,1,0|0,0,0]=2 447 B11R1.86 CC(=O)CC1=CC=CC=C1Cl SBB054187 [0,1,0,0,1,0|1,0,0]=3 448 B11R1.86 CC(=O)CC1=CC=CC=C1F SBB086844 [0,1,0,0,1,0|1,0,0]=3 449 B11R1.86 CC(=O)NC1=C(Cl)C=CC=C1 SBB084427 [0,1,0,0,1,0|2,0,0]=4 450 B11R1.86 CC(=O)NC1=C(N)C=CC=C1 SBB048028 [0,1,0,0,1,0|2,0,0]=4 451 B11R1.86 CC(=O)NC1=C(O)C=CC=C1 SBB080001 [0,1,0,0,1,0|2,0,0]=4 452 B11R1.86 CC(=O)NC1=CC=CC=C1Br SBB094902 [0,1,0,0,1,0|2,0,0]=4 453 B11R1.86 CC(=O)NC1=CC=CC=C1C SBB058208 [0,1,0,0,1,0|2,0,0]=4 454 B11R1.86 CC(=O)NC1=CC=CC=C1F SBB055359 [0,1,0,0,1,0|2,0,0]=4 455 B11R1.86 CC(=O)OC1=C(C)C=CC=C1 SBB060700 [0,1,0,0,1,0|2,0,0]=4 456 B11R1.86 CC(=O)OC1=CC=CC=C1F SBB086981 [0,1,0,0,1,0|2,0,0]=4 457 B11R1.86 CC1=C(NC(N)=O)C=CC=C1 SBB028293 [0,1,0,0,1,0|2,0,0]=4 458 B11R1.86 CC1=CC=CC=C1CC(=O)O SBB063148 [0,1,0,0,1,0|0,0,0]=2 459 B11R1.86 NC(=O)CC1=CC=CC=C1O SBB072925 [0,1,0,0,1,0|1,0,0]=3 460 B11R1.86 NC(=O)NC1=CC=CC=C1Cl SBB023415 [0,1,0,0,1,0|2,0,0]=4 461 B11R1.86 NC(=O)NC1=CC=CC=C1F SBB057912 [0,1,0,0,1,0|2,0,0]=4 462 B11R1.86 O=C(O)CC1=C(Br)C=CC=C1 SBB006626 [0,1,0,0,1,0|0,0,0]=2 463 B11R1.86 O=C(O)CC1=C(Cl)C=CC=C1 SBB057750 [0,1,0,0,1,0|0,0,0]=2 464 B11R1.86 O=C(O)CC1=C(F)C=CC=C1 SBB057963 [0,1,0,0,1,0|0,0,0]=2 465 B11R1.86 O=C(O)CC1=C(O)C=CC=C1 SBB057742 [0,1,0,0,1,0|0,0,0]=2 466 B11R1.86 O=C(O)CC1=CC=CC=C1I SBB063206 [0,1,0,0,1,0|0,0,0]=2 467 B11R1.86 O=C(O)CN1C=CC=CC1=O SBB010337 [0,1,0,0,1,0|1,0,0]=3 468 B11R1.86 O=C(O)CN1C=CC=NC1=O SBB010342 [0,1,0,0,1,0|2,0,0]=4 469 B11R1.157 CC(=O)CC1=CC(C)=CC=N1 SBB025632 [0,1,0,0,1,0|2,0,0]=4 470 B11R1.157 CC(=O)CC1=CC=CC(F)=C1 SBB086850 [0,1,0,0,1,0|1,0,0]=3 471 B11R1.157 CC(=O)C[N+]1=CC(C)=CC=C1 SBB002639 [0,1,0,0,1,0|2,0,0]=4 472 B11R1.157 CC(=O)NC1=CC(Br)=CC=C1 SBB051044 [0,1,0,0,1,0|2,0,0]=4 473 B11R1.157 CC(=O)NC1=CC(C)=CC=C1 SBB059218 [0,1,0,0,1,0|2,0,0]=4 474 B11R1.157 CC(=O)NC1=CC(Cl)=CC=C1 SBB088343 [0,1,0,0,1,0|2,0,0]=4 475 B11R1.157 CC(=O)NC1=CC(F)=CC=C1 SBB086915 [0,1,0,0,1,0|2,0,0]=4 476 B11R1.157 CC(=O)NC1=CC(N)=CC=C1 SBB008515 [0,1,0,0,1,0|2,0,0]=4 477 B11R1.157 CC(=O)NC1=CC(O)=CC=C1 SBB055395 [0,1,0,0,1,0|2,0,0]=4 478 B11R1.157 CC(=O)OC1=CC(C)=CC=C1 SBB060031 [0,1,0,0,1,0|2,0,0]=4 479 B11R1.157 CC(=O)OC1=CC=CC(F)=C1 SBB086985 [0,1,0,0,1,0|2,0,0]=4 480 B11R1.157 CC1=CC(NC(N)=O)=CC=C1 SBB028291 [0,1,0,0,1,0|2,0,0]=4 481 B11R1.157 CC1=CC=CC(CC(=O)O)=C1 SBB068547 [0,1,0,0,1,0|0,0,0]=2 482 B11R1.157 NC(=O)NC1=CC(Br)=CC=C1 SBB055210 [0,1,0,0,1,0|2,0,0]=4 483 B11R1.157 NC1=CC(CC(=O)O)=CC=C1 SBB068772 [0,1,0,0,1,0|0,0,0]=2 484 B11R1.157 O=C(Cl)CC1=CC(F)=CC=C1 SBB088714 [0,1,0,0,1,0|1,0,0]=3 485 B11R1.157 O=C(O)CC1=CC(Br)=CC=C1 SBB037935 [0,1,0,0,1,0|0,0,0]=2 486 B11R1.157 O=C(O)CC1=CC=CC(Cl)=C1 SBB063159 [0,1,0,0,1,0|0,0,0]=2 487 B11R1.157 O=C(O)CC1=CC=CC(F)=C1 SBB063367 [0,1,0,0,1,0|0,0,0]=2 488 B11R1.157 O=C(O)CC1=CC=CC(I)=C1 SBB064349 [0,1,0,0,1,0|0,0,0]=2 489 B11R1.157 O=C(O)CC1=CC=CC(O)=C1 SBB063147 [0,1,0,0,1,0|0,0,0]=2 490 B11R1.509 CC(C)(O)CC1=CC=CC=C1 SBB071444 [0,1,0,0,1,0|1,0,1]=4 491 B11R1.509 CS(=O)(=O)CC1=CC=CC=C1 SBB059072 [0,1,0,0,1,0|1,0,1]=4 492 B11R1.509 O=P(O)(O)CC1=CC=CC=C1 SBB057481 [0,1,0,0,1,0|1,0,0]=3 493 B11R1.509 O=S(=O)(Cl)CC1=CC=CC=C1 SBB016732 [0,1,0,0,1,0|1,0,1]=4 494 B11R1.509 O=S(=O)(F)CC1=CC=CC=C1 SBB088900 [0,1,0,0,1,0|1,0,1]=4 495 B11R1.35 CC(CC1=CC=CS1)C(=O)O SBB027240 [0,1,0,0,1,0|1,0,0]=3 496 B11R1.35 CC(CN1C=CC=N1)C(=O)O SBB010350 [0,1,0,0,1,0|2,0,0]=4 497 B11R1.35 NC(CC1=CN=CN1)C(=O)O SBB003627 [0,1,0,0,1,0|2,0,0]=4 498 B11R1.35 NC(CC1=CNC=N1)C(=O)O SBB003452 [0,1,0,0,1,0|2,0,0]=4 499 B11R1.35 N[C@@H](CC1=CC=CS1)C(=O)O SBB066404 [0,1,0,0,1,0|1,0,0]=3 500 B11R1.35 N[C@@H](CC1=CSC=N1)C(=O)O SBB066461 [0,1,0,0,1,0|2,0,0]=4 501 B11R1.35 N[C@H](CC1=CNC=N1)C(=O)O SBB003451 [0,1,0,0,1,0|2,0,0]=4 502 B11R1.35 N[C@H](CC1=CNC=N1)C(=O)O SBB012354 [0,1,0,0,1,0|2,0,0]=4 503 B11R1.75 CC1=CC=C(CCC(=O)O)O1 SBB007451 [0,1,0,0,1,0|1,0,0]=3 504 B11R1.75 CC1=CN(CCC(=O)O)N=C1 SBB009384 [0,1,0,0,1,0|2,0,0]=4 505 B11R1.75 CC1=NN(CCC(=O)O)C=C1 SBB007028 [0,1,0,0,1,0|2,0,0]=4 506 B11R1.75 CN1C=C(CCC(=O)O)C=N1 SBB022169 [0,1,0,0,1,0|2,0,0]=4 507 B11R1.75 CN1C=CC(CCC(=O)O)=N1 SBB023250 [0,1,0,0,1,0|2,0,0]=4 508 B11R1.75 NC1=CN(CCC(=O)O)N=C1 SBB026973 [0,1,0,0,1,0|2,0,0]=4 509 B11R1.75 NC1=NC(CCC(=O)O)=CS1 SBB010542 [0,1,0,0,1,0|2,0,0]=4 510 B11R1.75 NC1=NN(CCC(=O)O)C=C1 SBB021922 [0,1,0,0,1,0|2,0,0]=4 511 B11R1.75 O=C(O)CCC1=CC(=O)NO1 SBB014903 [0,1,0,0,1,0|2,0,0]=4 512 B11R1.75 O=C(O)CCC1=CC(Cl)=NO1 SBB007117 [0,1,0,0,1,0|2,0,0]=4 513 B11R1.75 O=C(O)CCC1=CN=C(Br)S1 SBB059696 [0,1,0,0,1,0|2,0,0]=4 514 B11R1.75 O=C(O)CCC1=CNC(=S)N1 SBB074287 [0,1,0,0,1,0|2,0,0]=4 515 B11R1.75 O=C(O)CCN1C=C(Br)C=N1 SBB020465 [0,1,0,0,1,0|2,0,0]=4 516 B11R1.75 O=C(O)CCN1C=C(Cl)C=N1 SBB020466 [0,1,0,0,1,0|2,0,0]=4 517 B11R1.75 O=C(O)CCN1C=CC(Br)=N1 SBB116201 [0,1,0,0,1,0|2,0,0]=4 518 B11R1.77 CC(CC(=O)O)N1C=CC=N1 SBB010347 [0,1,0,0,1,0|2,0,0]=4 519 B11R1.77 CC(CC(=O)O)N1C=CN=C1 SBB079665 [0,1,0,0,1,0|2,0,0]=4 520 B11R1.77 NC(CC(=O)O)C1=CC=CO1 SBB007398 [0,1,0,0,1,0|1,0,0]=3 521 B11R1.90 CC1=CC=NN1CCC(=O)O SBB007029 [0,1,0,0,1,0|2,0,0]=4 522 B11R1.90 CC1=NC=CN1CCC(=O)O SBB007352 [0,1,0,0,1,0|2,0,0]=4 523 B11R1.90 CN1N=CC=C1CCC(=O)O SBB023252 [0,1,0,0,1,0|2,0,0]=4 524 B13R1.45 CC(=O)CCC(=O)C1=CC=CC=C1 SBB071424 [0,1,0,0,0,1|1,0,0]=3 525 B13R1.45 CC(=O)OCC(=O)C1=CC=CC=C1 SBB063952 [0,1,0,0,0,1|1,0,1]=4 526 B13R1.45 O=C(O)CCC(=O)C1=CC=CC=C1 SBB057733 [0,1,0,0,0,1|0,0,0]=2 527 B13R1.45 O=C(O)CCC(=O)C1=CN=CC=C1 SBB010635 [0,1,0,0,0,1|1,0,0]=3 528 B13R1.45 O=C(O)CCC(O)C1=CC=CC=C1 SBB010649 [0,1,0,0,0,1|0,0,0]=2 529 B13R1.45 O=C(O)CNC(=O)C1=CC=CN=C1 SBB045240 [0,1,0,0,0,1|1,0,1]=4 530 B13R1.45 O=C(O)COC(=O)C1=CN=CC=C1 SBB056615 [0,1,0,0,0,1|1,0,1]=4 531 B13R1.45 O=C(O)\C=C\C(=O)C1=CC=CC=C1 SBB007952 [0,1,0,0,0,1|0,0,2]=4 532 B13R1.45 OC(=O)CNC(=O)C1=CC=CC=C1 SBB003759 [0,1,0,0,0,1|0,0,1]=3 533 B13R1.149 O=C(O)CCOC1=CC(F)=CC=C1 SBB085423 [0,1,0,0,0,1|0,0,0]=2 534 B13R1.158 CC(O)CNCC1=C(F)C=CC=C1 SBB010700 [0,1,0,0,0,1|1,0,1]=4 535 B13R1.158 CC1=CC=CC=C1OCCC(=O)O SBB085282 [0,1,0,0,0,1|0,0,0]=2 536 B13R1.158 O=C(O)CCOC1=CC=CC=C1F SBB027408 [0,1,0,0,0,1|0,0,0]=2 537 B13R1.348 CC(=O)C\C(C)=N/C1=CC=CC=C1 SBB089069 [0,1,0,0,0,1|1,0,1]=4 538 B13R1.348 CN(CC(=O)O)CC1=CN=CC=C1 SBB010656 [0,1,0,0,0,1|1,0,0]=3 539 B13R1.348 CN(CC(=O)O)CC1=NC=CC=C1 SBB010657 [0,1,0,0,0,1|1,0,0]=3 540 B13R1.348 N(C(=O)CC(C)=O)C1=CC=CC=C1 SBB003774 [0,1,0,0,0,1|1,0,1]=4 541 B13R1.348 NC(=O)NC(=O)CC1=CC=CC=C1 SBB057962 [0,1,0,0,0,1|1,0,1]=4 542 B13R1.351 NC(CCC1=CC=CC=N1)C(=O)O SBB014776 [0,1,0,0,0,1|1,0,0]=3 543 B13R1.351 N[C@@H](CCC1=CC=CC=C1)C(=O)O SBB063155 [0,1,0,0,0,1|0,0,0]=2 544 B13R1.351 N[C@@H](CSC1=CC=CC=C1)C(=O)O SBB066411 [0,1,0,0,0,1|0,0,0]=2 545 B13R1.351 O=C(O)[C@@H](O)CCC1=CC=CC=C1 SBB065026 [0,1,0,0,0,1|0,0,0]=2 546 B13R1.513 CC1=CC=C(SCCC(=O)O)C=C1 SBB103625 [0,1,0,0,0,1|0,0,0]=2 547 B13R1.513 NC1=CC=C(CCCC(=O)O)C=C1 SBB069098 [0,1,0,0,0,1|0,0,0]=2 548 B13R1.513 O=C(O)CCCC1=CC=C(Br)C=C1 SBB099678 [0,1,0,0,0,1|0,0,0]=2 549 B13R1.513 O=C(O)CCCC1=CC=C(F)C=C1 SBB010216 [0,1,0,0,0,1|0,0,0]=2 550 B13R1.513 O=C(O)CCCC1=CC=C(F)C=C1 SBB010232 [0,1,0,0,0,1|0,0,0]=2 551 B13R1.513 O=C(O)CCCC1=CC=C(O)C=C1 SBB052746 [0,1,0,0,0,1|0,0,0]=2 552 B13R1.513 O=C(O)CCNC1=CC=C(Cl)C=N1 SBB301439 [0,1,0,0,0,1|1,0,0]=3 553 B13R1.513 O=C(O)CCOC1=CC=C(Cl)C=C1 SBB008249 [0,1,0,0,0,1|0,0,0]=2 554 B13R1.513 O=C(O)CSCC1=CC=C(Cl)C=C1 SBB049904 [0,1,0,0,0,1|0,0,0]=2 555 B13R1.513 O=C(O)CSCC1=CC=C(F)C=C1 SBB047481 [0,1,0,0,0,1|0,0,0]=2 556 B13R1.718 COC(=O)CCCC1=CC=CC=C1 SBB007854 [0,1,0,0,0,1|0,0,0]=2 557 B13R1.718 NCC(O)COCC1=CC=CC=C1 SBB010672 [0,1,0,0,0,1|1,0,1]=4 558 B13R1.718 NNC(=O)CSCC1=CC=CC=C1 SBB046911 [0,1,0,0,0,1|1,0,0]=3 559 B13R1.718 NNC(=S)NCCC1=CC=CC=C1 SBB017740 [0,1,0,0,0,1|1,1,0]=4 560 B13R1.718 O=C(CBr)NCCC1=CC=CC=C1 SBB080036 [0,1,0,0,0,1|1,0,0]=3 561 B13R1.718 O=C(CCl)NCCC1=CC=CC=C1 SBB001602 [0,1,0,0,0,1|1,0,0]=3 562 B13R1.718 OC(CCl)COCC1=CC=CC=C1 SBB056727 [0,1,0,0,0,1|1,0,1]=4 563 B13R1.718 OCC(O)COCC1=CC=CC=C1 SBB058667 [0,1,0,0,0,1|0,0,2]=4 564 B13R1.3523 O=S(=O)(Cl)CCCC1=CC=CC=C1 SBB302743 [0,1,0,0,0,1|1,0,1]=4 565 B13R1.3523 O=S(=O)(Cl)CCOC1=CC=CC=C1 SBB017277 [0,1,0,0,0,1|1,0,1]=4 566 B13R1.3 CCC1=CC=C(CCC(=O)O)C=C1 SBB017700 [0,2,0,0,0,0|0,0,0]=2 567 B13R1.3 CCC1=CC=C(OCC(=O)O)C=C1 SBB004547 [0,2,0,0,0,0|1,0,0]=3 568 B13R1.3 COC1=CC=C(CCC(C)=O)C=C1 SBB002546 [0,2,0,0,0,0|1,0,0]=3 569 B13R1.3 COC1=CC=C(OCC(=O)O)C=C1 SBB004543 [0,2,0,0,0,0|1,0,0]=3 570 B13R1.3 COC1=CC=C(\C=C\C(=O)O)C=C1 SBB005717 [0,2,0,0,0,0|0,0,2]=4 571 B13R1.3 CSC1=CC=C(\C=C\C(=O)O)C=C1 SBB002370 [0,2,0,0,0,0|0,0,2]=4 572 B13R1.3 N#CC1=CC=C(OCC(=O)O)C=C1 SBB019894 [0,2,0,0,0,0|1,0,0]=3 573 B13R1.3 N#CC1=CC=C(\C=C\C(=O)O)C=C1 SBB059536 [0,2,0,0,0,0|0,0,2]=4 574 B13R1.3 NC(=O)COC1=CC=C(C=O)C=C1 SBB019522 [0,2,0,0,0,0|2,0,0]=4 575 B13R1.3 O=C(O)COC1=CC=C(CO)C=C1 SBB059335 [0,2,0,0,0,0|1,0,0]=3 576 B13R1.3 O=CC1=CC=C(OCC(=O)O)C=C1 SBB019893 [0,2,0,0,0,0|1,0,0]=3 577 B13R1.3 O=CC1=CC=C(\C=C\C(=O)O)C=C1 SBB059480 [0,2,0,0,0,0|0,0,2]=4 578 B13R1.3 OC(=O)CCC1=CC=C(OC)C=C1 SBB003748 [0,2,0,0,0,0|0,0,0]=2 579 B13R1.14 CC1=CC=C(CNC(=O)CCl)C=C1 SBB037890 [0,2,0,0,0,0|2,0,0]=4 580 B13R1.14 CC1=CC=C(OCC(=O)NN)C=C1 SBB005105 [0,2,0,0,0,0|2,0,0]=4 581 B13R1.14 CC1=CC=C(SCC(=O)NN)C=C1 SBB073636 [0,2,0,0,0,0|2,0,0]=4 582 B13R1.14 CNC(=O)CCC1=CC=C(N)C=C1 SBB080480 [0,2,0,0,0,0|1,0,0]=3 583 B13R1.14 COC(=O)CCC1=CC=C(Cl)C=C1 SBB014252 [0,2,0,0,0,0|0,0,0]=2 584 B13R1.14 COC(=O)CCC1=CC=C(O)C=C1 SBB071434 [0,2,0,0,0,0|0,0,0]=2 585 B13R1.14 COC(=O)COC1=CC=C(Br)C=C1 SBB072211 [0,2,0,0,0,0|1,0,0]=3 586 B13R1.14 COC(=O)COC1=CC=C(N)C=C1 SBB072596 [0,2,0,0,0,0|1,0,0]=3 587 B13R1.14 COC(=O)\C=C\C1=CC=C(Br)C=C1 SBB099373 [0,2,0,0,0,0|0,0,2]=4 588 B13R1.14 COC(=O)\C=C\C1=CC=C(O)C=C1 SBB002393 [0,2,0,0,0,0|0,0,2]=4 589 B13R1.14 NNC(=O)CCC1=CC=C(O)C=C1 SBB050179 [0,2,0,0,0,0|1,0,0]=3 590 B13R1.14 NNC(=O)CNC1=CC=C(I)C=C1 SBB047122 [0,2,0,0,0,0|2,0,0]=4 591 B13R1.14 NNC(=O)COC1=CC=C(Br)C=C1 SBB005126 [0,2,0,0,0,0|2,0,0]=4 592 B13R1.14 NNC(=O)COC1=CC=C(Cl)C=C1 SBB005121 [0,2,0,0,0,0|2,0,0]=4 593 B13R1.14 NNC(=O)COC1=CC=C(F)C=C1 SBB005122 [0,2,0,0,0,0|2,0,0]=4 594 B13R1.14 NNC(=O)CSC1=CC=C(Cl)C=C1 SBB002377 [0,2,0,0,0,0|2,0,0]=4 595 B13R1.14 O=C(CCl)NCC1=CC=C(Cl)C=C1 SBB037902 [0,2,0,0,0,0|2,0,0]=4 596 B13R1.14 O=C(CCl)NCC1=CC=C(F)C=C1 SBB027668 [0,2,0,0,0,0|2,0,0]=4 597 B13R1.132 CC(=O)CC(=O)C1=CC=C(Cl)C=C1 SBB055091 [0,2,0,0,0,0|1,0,1]=4 598 B13R1.132 NC(=O)CC(N)C1=CC=C(F)C=C1 SBB303223 [0,2,0,0,0,0|1,0,0]=3 599 B13R1.132 NC(CC(=O)O)C1=CC=C(Br)C=C1 SBB000836 [0,2,0,0,0,0|0,0,0]=2 600 B13R1.132 NC(CC(=O)O)C1=CC=C(Cl)C=C1 SBB001785 [0,2,0,0,0,0|0,0,0]=2 601 B13R1.132 NC(CC(=O)O)C1=CC=C(F)C=C1 SBB003727 [0,2,0,0,0,0|0,0,0]=2 602 B13R1.132 NC(CC(=O)O)C1=CC=C(O)C=C1 SBB017166 [0,2,0,0,0,0|0,0,0]=2 603 B13R1.133 CC(OC1=CC=C(Br)C=C1)C(=O)O SBB004553 [0,2,0,0,0,0|1,0,0]=3 604 B13R1.133 CC(OC1=CC=C(Cl)C=C1)C(=O)O SBB004555 [0,2,0,0,0,0|1,0,0]=3 605 B13R1.133 CC(OC1=CC=C(F)C=C1)C(=O)O SBB009317 [0,2,0,0,0,0|1,0,0]=3 606 B13R1.133 CC(OC1=CC=C(I)C=C1)C(=O)O SBB073608 [0,2,0,0,0,0|1,0,0]=3 607 B13R1.133 CC1=CC=C(C[C@H](N)C(=O)O)C=C1 SBB064583 [0,2,0,0,0,0|0,0,0]=2 608 B13R1.133 CC1=CC=C(OC(C)C(=O)O)C=C1 SBB004550 [0,2,0,0,0,0|1,0,0]=3 609 B13R1.133 NC(CC1=CC=C(Cl)C=C1)C(=O)O SBB003551 [0,2,0,0,0,0|0,0,0]=2 610 B13R1.133 NC(CC1=CC=C(I)C=C1)C(=O)O SBB063701 [0,2,0,0,0,0|0,0,0]=2 611 B13R1.133 NC1=CC=C(C[C@@H](N)C(=O)O)C=C1 SBB064108 [0,2,0,0,0,0|0,0,0]=2 612 B13R1.133 N[C@@H](CC1=CC=C(Br)C=C1)C(=O)O SBB063696 [0,2,0,0,0,0|0,0,0]=2 613 B13R1.133 N[C@@H](CC1=CC=C(F)C=C1)C(=O)O SBB063698 [0,2,0,0,0,0|0,0,0]=2 614 B13R1.133 N[C@H](CC1=CC=C(O)C=C1)C(=O)O SBB012381 [0,2,0,0,0,0|0,0,0]=2 615 B13R1.133 O=C(O)C(=O)CC1=CC=C(O)C=C1 SBB068897 [0,2,0,0,0,0|0,0,1]=3 616 B13R1.133 OC(=O)C(C)OC1=CC=C(O)C=C1 SBB006616 [0,2,0,0,0,0|1,0,0]=3 617 B13R1.133 [C@@H](N)(CC1=CC=C(F)C=C1)C(=O)O SBB003361 [0,2,0,0,0,0|0,0,0]=2 618 B13R1.164 CC1=C(CCC(=O)O)C=CC(F)=C1 SBB089895 [0,2,0,0,0,0|0,0,0]=2 619 B13R1.164 CC1=CC(Br)=CC=C1OCC(=O)O SBB005729 [0,2,0,0,0,0|1,0,0]=3 620 B13R1.164 CC1=CC(Cl)=CC=C1OCC(=O)[O-] SBB060925 [0,2,0,0,0,0|1,0,1]=4 621 B13R1.164 CC1=CC(F)=C(CCC(=O)O)C=C1 SBB089903 [0,2,0,0,0,0|0,0,0]=2 622 B13R1.164 CC1=CC=C(OCC(=O)O)C(Br)=C1 SBB000844 [0,2,0,0,0,0|1,0,0]=3 623 B13R1.164 CC1=CC=C(OCC(=O)O)C(C)=C1 SBB052779 [0,2,0,0,0,0|1,0,0]=3 624 B13R1.164 O=C(Cl)COC1=CC=C(Cl)C=C1Cl SBB017185 [0,2,0,0,0,0|2,0,0]=4 625 B13R1.164 O=C(O)CCC1=CC=C(Cl)C=C1Cl SBB052720 [0,2,0,0,0,0|0,0,0]=2 626 B13R1.164 O=C(O)CCN1C=CC(=O)NC1=O SBB039065 [0,2,0,0,0,0|2,0,0]=4 627 B13R1.164 O=C(O)COC1=C(Br)C=C(Cl)C=C1 SBB079956 [0,2,0,0,0,0|1,0,0]=3 628 B13R1.164 O=C(O)COC1=C(Cl)C=C(Br)C=C1 SBB001029 [0,2,0,0,0,0|1,0,0]=3 629 B13R1.164 O=C(O)COC1=CC=C(Br)C=C1Br SBB001274 [0,2,0,0,0,0|1,0,0]=3 630 B13R1.164 O=C(O)COC1=CC=C(F)C=C1Cl SBB030015 [0,2,0,0,0,0|1,0,0]=3 631 B13R1.164 O=C(O)COC1=CC=C(F)C=C1F SBB009309 [0,2,0,0,0,0|1,0,0]=3 632 B13R1.164 O=C(O)\C=C\C1=C(Cl)C=C(Cl)C=C1 SBB016531 [0,2,0,0,0,0|0,0,2]=4 633 B13R1.164 O=C(O)\C=C\C1=CC=C(Br)C=C1F SBB065040 [0,2,0,0,0,0|0,0,2]=4 634 B13R1.164 O=C(O)\C=C\C1=CC=C(F)C=C1F SBB064515 [0,2,0,0,0,0|0,0,2]=4 635 B13R1.164 O=C([O-])COC1=CC=C(Cl)C=C1Cl SBB061709 [0,2,0,0,0,0|1,0,1]=4 636 B13R1.164 OC(=O)\C=C\C1=CC=C(Cl)C=C1F SBB003542 [0,2,0,0,0,0|0,0,2]=4 637 B13R1.164 OC(=O)\C=C\C1=CC=C(F)C=C1Cl SBB003541 [0,2,0,0,0,0|0,0,2]=4 638 B13R1.511 CC1=CC(CCC(=O)O)=CC=C1F SBB089896 [0,2,0,0,0,0|0,0,0]=2 639 B13R1.511 CC1=CC(OCC(=O)O)=CC=C1Br SBB005728 [0,2,0,0,0,0|1,0,0]=3 640 B13R1.511 CC1=CC(OCC(=O)O)=CC=C1Cl SBB009311 [0,2,0,0,0,0|1,0,0]=3 641 B13R1.511 CC1=CC=C(CCC(=O)O)C=C1C SBB067745 [0,2,0,0,0,0|0,0,0]=2 642 B13R1.511 CC1=CC=C(CCC(=O)O)C=C1F SBB089902 [0,2,0,0,0,0|0,0,0]=2 643 B13R1.511 CC1=CC=C(CCC(=O)O)C=C1N SBB072079 [0,2,0,0,0,0|0,0,0]=2 644 B13R1.511 CC1=CC=C(OCC(=O)Cl)C=C1C SBB050609 [0,2,0,0,0,0|2,0,0]=4 645 B13R1.511 CC1=CC=C(OCC(=O)O)C=C1C SBB004540 [0,2,0,0,0,0|1,0,0]=3 646 B13R1.511 CC1=CC=C(\C=C\C(=O)O)C=C1F SBB089654 [0,2,0,0,0,0|0,0,2]=4 647 B13R1.511 O=C(O)CCC1=CC(Cl)=C(F)C=C1 SBB084097 [0,2,0,0,0,0|0,0,0]=2 648 B13R1.511 O=C(O)CCC1=CC=C(Cl)C(F)=C1 SBB093011 [0,2,0,0,0,0|0,0,0]=2 649 B13R1.511 O=C(O)CCC1=CC=C(F)C(F)=C1 SBB068268 [0,2,0,0,0,0|0,0,0]=2 650 B13R1.511 O=C(O)CCC1=CC=C(O)C(O)=C1 SBB068270 [0,2,0,0,0,0|0,0,0]=2 651 B13R1.511 O=C(O)CNC1=CC=C(Cl)C(Cl)=C1 SBB019865 [0,2,0,0,0,0|1,0,0]=3 652 B13R1.511 O=C(O)COC1=CC=C(F)C(Cl)=C1 SBB009308 [0,2,0,0,0,0|1,0,0]=3 653 B13R1.511 O=C(O)\C=C\C1=CC(Br)=C(O)C=C1 SBB023895 [0,2,0,0,0,0|0,0,2]=4 654 B13R1.511 O=C(O)\C=C\C1=CC(Cl)=C(Cl)C=C1 SBB015056 [0,2,0,0,0,0|0,0,2]=4 655 B13R1.511 O=C(O)\C=C\C1=CC(O)=C(O)C=C1 SBB006475 [0,2,0,0,0,0|0,0,2]=4 656 B13R1.511 O=C(O)\C=C\C1=CC=C(Cl)C(F)=C1 SBB092664 [0,2,0,0,0,0|0,0,2]=4 657 B13R1.511 O=C(O)\C=C\C1=CC=C(F)C(Cl)=C1 SBB092665 [0,2,0,0,0,0|0,0,2]=4 658 B13R1.511 OC(=O)\C=CC1=CC=C(F)C(F)=C1 SBB006677 [0,2,0,0,0,0|0,0,2]=4 659 B13R1.511 OC(=O)\C=C\C1=CC=C(F)C(Br)=C1 SBB003187 [0,2,0,0,0,0|0,0,2]=4 660 B13R1.11 CC(NC(=O)CBr)C1=CC=CC=C1 SBB050427 [0,2,0,0,0,0|2,0,0]=4 661 B13R1.11 CC(NC(=O)CCl)C1=CC=CC=C1 SBB010968 [0,2,0,0,0,0|2,0,0]=4 662 B13R1.11 COC(=O)CC(=O)C1=CC=CN=C1 SBB058960 [0,2,0,0,0,0|1,0,1]=4 663 B13R1.11 N\C(C[S+]([O-])C1=CC=CC=C1)=N/O SBB041614 [0,2,0,0,0,0|2,0,0]=4 664 B13R1.15 CC1=CC(NCC(=O)NN)=CC=C1 SBB111638 [0,2,0,0,0,0|2,0,0]=4 665 B13R1.15 CC1=CC(OCC(=O)NN)=CC=C1 SBB005106 [0,2,0,0,0,0|2,0,0]=4 666 B13R1.15 CNC(=O)CCC1=CC(N)=CC=C1 SBB079913 [0,2,0,0,0,0|1,0,0]=3 667 B13R1.15 NNC(=O)COC1=CC=CC(Cl)=C1 SBB005128 [0,2,0,0,0,0|2,0,0]=4 668 B13R1.42 CCNC(=O)CCC1=CC=CC=C1 SBB080052 [0,2,0,0,0,0|1,0,0]=3 669 B13R1.42 CCOC(=O)C#CC1=CC=CC=C1 SBB008827 [0,2,0,0,0,0|0,0,2]=4 670 B13R1.42 CCOC(=O)CSC1=CC=CC=C1 SBB053696 [0,2,0,0,0,0|1,0,0]=3 671 B13R1.42 CCOC(=O)\C=C\C1=CC=CC=C1 SBB060754 [0,2,0,0,0,0|0,0,2]=4 672 B13R1.42 N#CCC(=O)NCC1=CC=CC=C1 SBB023426 [0,2,0,0,0,0|2,0,0]=4 673 B13R1.135 CC(OC1=CC=CC=C1)C(=O)NN SBB038782 [0,2,0,0,0,0|2,0,0]=4 674 B13R1.135 COC(=O)[C@@H](N)CC1=CC=CC=C1 SBB028101 [0,2,0,0,0,0|0,0,0]=2 675 B13R1.135 NNC(=O)C(N)CC1=CC=CC=C1 SBB065079 [0,2,0,0,0,0|1,0,0]=3 676 B13R1.254 C#CC(C)(O)CCC1=CC=CC=C1 SBB002549 [0,2,0,0,0,0|1,0,1]=4 677 B13R1.528 CC1=C(NCC(=O)NN)C=CC=C1 SBB000207 [0,2,0,0,0,0|2,0,0]=4 678 B13R1.528 CC1=C(OCC(=O)NN)C=CC=C1 SBB005107 [0,2,0,0,0,0|2,0,0]=4 679 B13R1.528 CNC(=O)CCC1=C(N)C=CC=C1 SBB080459 [0,2,0,0,0,0|1,0,0]=3 680 B13R1.528 CNC(=O)COC1=C(Br)C=CC=C1 SBB047072 [0,2,0,0,0,0|2,0,0]=4 681 B13R1.528 COC(=O)COC1=C(F)C=CC=C1 SBB072676 [0,2,0,0,0,0|1,0,0]=3 682 B13R1.528 COC(=O)COC1=CC=CC=C1Cl SBB072684 [0,2,0,0,0,0|1,0,0]=3 683 B13R1.528 NNC(=O)CCC1=CC=CC=C1O SBB050181 [0,2,0,0,0,0|1,0,0]=3 684 B13R1.528 NNC(=O)CNC1=C(Cl)C=CC=C1 SBB000392 [0,2,0,0,0,0|2,0,0]=4 685 B13R1.528 NNC(=O)COC1=C(Br)C=CC=C1 SBB005127 [0,2,0,0,0,0|2,0,0]=4 686 B13R1.528 NNC(=O)COC1=C(F)C=CC=C1 SBB030405 [0,2,0,0,0,0|2,0,0]=4 687 B13R1.528 NNC(=O)COC1=CC=CC=C1Cl SBB005191 [0,2,0,0,0,0|2,0,0]=4 688 B13R1.528 N\C(COC1=CC=CC=C1Cl)=N/O SBB055354 [0,2,0,0,0,0|2,0,0]=4 689 B13R1.528 O=C(CCl)NCC1=C(Cl)C=CC=C1 SBB037897 [0,2,0,0,0,0|2,0,0]=4 690 B13R1.528 O=C(CCl)NCC1=CC=CC=C1F SBB046882 [0,2,0,0,0,0|2,0,0]=4 691 B13R1.148 CC(OC1=CC(Br)=CC=C1)C(=O)O SBB043519 [0,2,0,0,0,0|1,0,0]=3 692 B13R1.148 CC(OC1=CC(Cl)=CC=C1)C(=O)O SBB057380 [0,2,0,0,0,0|1,0,0]=3 693 B13R1.148 CC(OC1=CC=CC(Br)=C1)C(N)=O SBB047047 [0,2,0,0,0,0|2,0,0]=4 694 B13R1.148 CC(OC1=CC=CC(F)=C1)C(=O)O SBB010711 [0,2,0,0,0,0|1,0,0]=3 695 B13R1.148 CC1=CC(OC(C)C(=O)O)=CC=C1 SBB079960 [0,2,0,0,0,0|1,0,0]=3 696 B13R1.148 NC(CC1=CC=CC(O)=C1)C(=O)O SBB065775 [0,2,0,0,0,0|0,0,0]=2 697 B13R1.148 N[C@@H](CC1=CC=CC(Br)=C1)C(=O)O SBB064594 [0,2,0,0,0,0|0,0,0]=2 698 B13R1.148 N[C@@H](CC1=CC=CC(Cl)=C1)C(=O)O SBB064574 [0,2,0,0,0,0|0,0,0]=2 699 B13R1.148 N[C@H](CC1=CC=CC(F)=C1)C(=O)O SBB063823 [0,2,0,0,0,0|0,0,0]=2 700 B13R1.152 NC(C(=O)O)C(O)C1=CC=CC=C1 SBB000225 [0,2,0,0,0,0|0,0,0]=2 701 B13R1.152 NC(C(=O)O)C(O)C1=CC=CC=C1 SBB057623 [0,2,0,0,0,0|0,0,0]=2 702 B13R1.152 O=C(O)C(Br)C(Br)C1=CC=CC=C1 SBB007805 [0,2,0,0,0,0|0,0,0]=2 703 B13R1.202 CC(CC1=C(Cl)C=CC=C1)C(=O)O SBB302222 [0,2,0,0,0,0|0,0,0]=2 704 B13R1.202 CC(OC1=CC=CC=C1F)C(=O)O SBB010710 [0,2,0,0,0,0|1,0,0]=3 705 B13R1.202 CC1=C(NC(=O)C(=O)O)C=CC=C1 SBB049973 [0,2,0,0,0,0|1,0,1]=4 706 B13R1.202 CC1=C(OC(C)C(=O)O)C=CC=C1 SBB079961 [0,2,0,0,0,0|1,0,0]=3 707 B13R1.202 CC1=CC=CC=C1N[C@@H](C)C(=O)O SBB064575 [0,2,0,0,0,0|1,0,0]=3 708 B13R1.202 N[C@@H](CC1=CC=CC=C1Br)C(=O)O SBB063699 [0,2,0,0,0,0|0,0,0]=2 709 B13R1.202 N[C@@H](CC1=CC=CC=C1Cl)C(=O)O SBB003552 [0,2,0,0,0,0|0,0,0]=2 710 B13R1.202 N[C@@H](CC1=CC=CC=C1F)C(=O)O SBB063927 [0,2,0,0,0,0|0,0,0]=2 711 B13R1.202 OC(=O)C(C)OC1=C(Cl)C=CC=C1 SBB003538 [0,2,0,0,0,0|1,0,0]=3 712 B13R1.418 CCC(OC1=CC=CC=C1)C(=O)O SBB000214 [0,2,0,0,0,0|1,0,0]=3 713 B13R1.418 CO\C(=C/C1=CC=CC=C1)C(=O)O SBB021719 [0,2,0,0,0,0|0,0,2]=4 714 B13R1.418 N#C\C(=C/C1=CC=CC=C1)C(=O)O SBB028487 [0,2,0,0,0,0|0,0,2]=4 715 B13R1.1073 CC(C)(OC1=CC=CC=C1)C(=O)O SBB020802 [0,2,0,0,0,0|1,0,0]=3 716 B13R1.1073 C[C@](N)(CC1=CC=CC=C1)C(=O)O SBB006742 [0,2,0,0,0,0|0,0,0]=2 717 B13R1.147 CC(=O)NC(C)C1=CC=CC(N)=C1 SBB050328 [0,2,0,0,0,0|2,0,0]=4 718 B13R1.147 NC(CC(=O)O)C1=CC(Cl)=CC=C1 SBB002511 [0,2,0,0,0,0|0,0,0]=2 719 B13R1.147 NC(CC(=O)O)C1=CC(O)=CC=C1 SBB013152 [0,2,0,0,0,0|0,0,0]=2 720 B13R1.147 NC(CC(=O)O)C1=CC=CC(Br)=C1 SBB099794 [0,2,0,0,0,0|0,0,0]=2 721 B13R1.147 NC(CC(=O)O)C1=CC=CC(F)=C1 SBB048872 [0,2,0,0,0,0|0,0,0]=2 722 B13R1.201 CC(=O)CC(=O)C1=C(O)C=CC=C1 SBB007835 [0,2,0,0,0,0|1,0,1]=4 723 B13R1.201 CC1=C(C(N)CC(=O)O)C=CC=C1 SBB048873 [0,2,0,0,0,0|0,0,0]=2 724 B13R1.201 CC1=CC=CC=C1\C(C)=C\C(=O)O SBB084497 [0,2,0,0,0,0|0,0,2]=4 725 B13R1.201 NC(CC(=O)O)C1=CC=CC=C1Br SBB099793 [0,2,0,0,0,0|0,0,0]=2 726 B13R1.201 NC(CC(=O)O)C1=CC=CC=C1Cl SBB042795 [0,2,0,0,0,0|0,0,0]=2 727 B13R1.201 NC(CC(=O)O)C1=CC=CC=C1F SBB090035 [0,2,0,0,0,0|0,0,0]=2 728 B13R1.347 CC(=O)CS(=O)(=O)C1=CC=CC=C1 SBB043994 [0,2,0,0,0,0|2,0,0]=4 729 B13R1.347 O=C(O)CS(=O)(=O)C1=CC=CC=C1 SBB040033 [0,2,0,0,0,0|1,0,0]=3 730 B13R1.713 NCC(CC(=O)O)C1=CC=CC=C1 SBB001567 [0,2,0,0,0,0|0,0,0]=2 731 B13R1.713 NCC(CC(=O)O)C1=CC=CC=C1 SBB063537 [0,2,0,0,0,0|0,0,0]=2 732 B13R1.90 C(=O)C1=C(OCC(=O)O)C=CC=C1 SBB008189 [0,2,0,0,0,0|1,0,0]=3 733 B13R1.90 CC(=O)COC1=C(C#N)C=CC=C1 SBB108725 [0,2,0,0,0,0|2,0,0]=4 734 B13R1.90 COC1=C(\C=C\C(=O)O)C=CC=C1 SBB043620 [0,2,0,0,0,0|0,0,2]=4 735 B13R1.90 COC1=CC=CC=C1OCC(=O)Cl SBB300371 [0,2,0,0,0,0|2,0,0]=4 736 B13R1.90 COC1=CC=CC=C1OCC(=O)O SBB005726 [0,2,0,0,0,0|1,0,0]=3 737 B13R1.90 COC1=CC=CC=C1OCC(N)=O SBB089780 [0,2,0,0,0,0|2,0,0]=4 738 B13R1.90 N#CC1=C(\C=C\C(=O)O)C=CC=C1 SBB083999 [0,2,0,0,0,0|0,0,2]=4 739 B13R1.90 N#CC1=CC=CC=C1OCC(=O)O SBB020090 [0,2,0,0,0,0|1,0,0]=3 740 B13R1.90 N#CC1=CC=CC=C1OCC(N)=O SBB029674 [0,2,0,0,0,0|2,0,0]=4 741 B13R1.90 NC(=O)COC1=CC=CC=C1C=O SBB020091 [0,2,0,0,0,0|2,0,0]=4 742 B13R1.90 OC(=O)CCC1=C(OC)C=CC=C1 SBB003749 [0,2,0,0,0,0|0,0,0]=2 743 B13R1.150 CC1=C(C)C(OCC(=O)O)=CC=C1 SBB016276 [0,2,0,0,0,0|1,0,0]=3 744 B13R1.150 CC1=C(CCC(=O)O)C=CC=C1F SBB089904 [0,2,0,0,0,0|0,0,0]=2 745 B13R1.150 CC1=C(\C=C\C(=O)O)C=CC=C1F SBB089652 [0,2,0,0,0,0|0,0,2]=4 746 B13R1.150 O=C(O)COC1=CC=CC(Cl)=C1Cl SBB004545 [0,2,0,0,0,0|1,0,0]=3 747 B13R1.150 O=C(O)\C=C\C1=CC=CC(Cl)=C1Cl SBB003379 [0,2,0,0,0,0|0,0,2]=4 748 B13R1.150 O=C(O)\C=C\C1=CC=CC(Cl)=C1F SBB092666 [0,2,0,0,0,0|0,0,2]=4 749 B13R1.150 O=C(O)\C=C\C1=CC=CC(F)=C1F SBB063937 [0,2,0,0,0,0|0,0,2]=4 750 B13R1.893 CC1=C(CCC(=O)O)C=C(F)C=C1 SBB089897 [0,2,0,0,0,0|0,0,0]=2 751 B13R1.893 CC1=CC(CCC(=O)O)=C(F)C=C1 SBB089900 [0,2,0,0,0,0|0,0,0]=2 752 B13R1.893 CC1=CC(OCC(=O)O)=C(C)C=C1 SBB015435 [0,2,0,0,0,0|1,0,0]=3 753 B13R1.893 CC1=CC(OCC(=O)O)=C(Cl)C=C1 SBB018046 [0,2,0,0,0,0|1,0,0]=3 754 B13R1.893 CC1=NN(CCC(=O)O)C(=O)C=C1 SBB303133 [0,2,0,0,0,0|2,0,0]=4 755 B13R1.893 O=C(O)CCN1N=C(O)C=CC1=O SBB010709 [0,2,0,0,0,0|2,0,0]=4 756 B13R1.893 O=C(O)CCN1NC(=O)C=CC1=O SBB014037 [0,2,0,0,0,0|2,0,0]=4 757 B13R1.893 O=C(O)\C=C\C1=C(F)C=CC(Br)=C1 SBB006748 [0,2,0,0,0,0|0,0,2]=4 758 B13R1.893 O=C(O)\C=C\C1=CC(F)=CC=C1Br SBB065044 [0,2,0,0,0,0|0,0,2]=4 759 B13R1.893 O=C(O)\C=C\C1=CC(F)=CC=C1F SBB063827 [0,2,0,0,0,0|0,0,2]=4 760 B13R1.3787 CC1=CC=CC(=O)N1CCC(=O)O SBB072977 [0,2,0,0,0,0|1,0,0]=3 761 B13R1.3787 CC1=CC=CC(C)=C1OCC(=O)O SBB015396 [0,2,0,0,0,0|1,0,0]=3 762 B13R1.3787 O=C(O)\C=C\C1=C(Cl)C=CC=C1Cl SBB044034 [0,2,0,0,0,0|0,0,2]=4 763 B13R1.3787 O=C(O)\C=C\C1=C(F)C=CC=C1Cl SBB050857 [0,2,0,0,0,0|0,0,2]=4 764 B13R1.3787 O=C(O)\C=C\C1=C(F)C=CC=C1F SBB006676 [0,2,0,0,0,0|0,0,2]=4 765 B13R1.643 C(=O)C1=CC=CC(OCC(=O)O)=C1 SBB008593 [0,2,0,0,0,0|1,0,0]=3 766 B13R1.643 CCC1=CC=CC(OCC(=O)O)=C1 SBB080395 [0,2,0,0,0,0|1,0,0]=3 767 B13R1.643 COC1=CC(OCC(=O)O)=CC=C1 SBB016237 [0,2,0,0,0,0|1,0,0]=3 768 B13R1.643 COC1=CC=CC(CCC(=O)O)=C1 SBB048046 [0,2,0,0,0,0|0,0,0]=2 769 B13R1.643 COC1=CC=CC(\C=C\C(=O)O)=C1 SBB042486 [0,2,0,0,0,0|0,0,2]=4 770 B13R1.643 N#CC1=CC=CC(\C=C\C(=O)O)=C1 SBB052684 [0,2,0,0,0,0|0,0,2]=4 771 B13R1.3420 CC1=CC(C)=CC(OCC(=O)O)=C1 SBB017333 [0,2,0,0,0,0|1,0,0]=3 772 B13R1.3420 CC1=CC(F)=CC(CCC(=O)O)=C1 SBB089901 [0,2,0,0,0,0|0,0,0]=2 773 B13R1.3420 O=C(O)CCC1=CC(Cl)=CC(Cl)=C1 SBB095709 [0,2,0,0,0,0|0,0,0]=2 774 B13R1.3420 O=C(O)CCC1=CC(F)=CC(F)=C1 SBB090378 [0,2,0,0,0,0|0,0,0]=2 775 B13R1.3420 OC(=O)\C=C\C1=CC(F)=CC(F)=C1 SBB006675 [0,2,0,0,0,0|0,0,2]=4 776 B11R2.1 NC1=NCC2=C1C=CC=C2 SBB003870 [1,0,0,1,0,0|2,0,0]=4 777 B11R2.1 NC1=NCC2=C1C=CC=C2 SBB003871 [1,0,0,1,0,0|2,0,0]=4 778 B11R2.1 NC1CCC2=C1C=CC=C2 SBB004212 [1,0,0,1,0,0|1,0,1]=4 779 B11R2.1 O=C1CCC2=C1C=CC=N2 SBB056372 [1,0,0,1,0,0|1,0,0]=3 780 B11R2.1 O=C1CCC2=CC=CC=C12 SBB056339 [1,0,0,1,0,0|0,0,0]=2 781 B11R2.1 O=C1COC2=CC=CC=C12 SBB056285 [1,0,0,1,0,0|1,0,0]=3 782 B11R2.1 O=C1NNC2=C1C=CC=C2 SBB004210 [1,0,0,1,0,0|2,0,0]=4 783 B11R2.1 O=C1OCC2=C1C=CC=C2 SBB056840 [1,0,0,1,0,0|1,0,0]=3 784 B11R2.1 OC1=NOC2=CC=CC=C21 SBB056388 [1,0,0,1,0,0|2,0,0]=4 785 B11R2.1 OC1CCC2=C1C=CC=N2 SBB056373 [1,0,0,1,0,0|1,0,1]=4 786 B11R2.20 C1=CC2=C(C=C1)CCCC2 SBB060619 [1,0,0,1,0,0|1,0,1]=4 787 B11R2.20 C1=CC2=C(C=C1)CNCC2 SBB027303 [1,0,0,1,0,0|2,0,0]=4 788 B11R2.20 C1=CC=C2NCCCC2=C1 SBB040463 [1,0,0,1,0,0|1,0,1]=4 789 B11R2.20 C1=CC=C2OCCNC2=C1 SBB039942 [1,0,0,1,0,0|1,0,1]=4 790 B11R2.988 N#CC1CC2=CC=CC=C21 SBB056297 [1,0,0,1,0,0|1,0,1]=4 791 B11R2.10 CC1=NC2=CC=CC=C2O1 SBB108741 [0,0,0,1,1,0|2,0,0]=4 792 B11R2.10 ClC1=NC2=C(C=CC=C2)O1 SBB080914 [0,0,0,1,1,0|2,0,0]=4 793 B11R2.10 NC1=NC2=CC=CC=C2O1 SBB046613 [0,0,0,1,1,0|2,0,0]=4 794 B11R2.10 O=C1CC2=CC=CC=C2N1 SBB004215 [0,0,0,1,1,0|1,0,0]=3 795 B11R2.10 O=C1CN2C=CC=CC2=N1 SBB072140 [0,0,0,1,1,0|2,0,0]=4 796 B11R2.10 O=C1NC2=C(C=CC=C2)N1 SBB000067 [0,0,0,1,1,0|2,0,0]=4 797 B11R2.10 O=C1NC2=C(C=CC=C2)O1 SBB058504 [0,0,0,1,1,0|1,0,0]=3 798 B11R2.10 O=C1NC2=C(C=CC=C2)S1 SBB037873 [0,0,0,1,1,0|1,1,0]=4 799 B11R2.10 OC1=NC2=C(C=CC=C2)N1 SBB004209 [0,0,0,1,1,0|2,0,0]=4 800 B11R2.10 OC1=NC2=C(C=CC=C2)S1 SBB005792 [0,0,0,1,1,0|1,1,0]=4 801 B11R2.10 OC1CC2=C(C=CC=C2)C1 SBB061554 [0,0,0,1,1,0|1,0,1]=4 802 B11R2.10 SC1=NC2=CC=CC=C2O1 SBB055994 [0,0,0,1,1,0|1,1,0]=4 803 B13R2.10 CC1COC(C2=CC=CC=C2)O1 SBB060969 [0,0,0,1,0,1|1,0,1]=4 804 B13R2.10 NC1=NN(C2=CC=CC=C2)CC1 SBB009983 [0,0,0,1,0,1|2,0,0]=4 805 B13R2.10 O=C1C=C(C2=CC=CC=C2)CC1 SBB051629 [0,0,0,1,0,1|1,0,0]=3 806 B13R2.10 O=C1CCN(C2=CC=CC=C2)N1 SBB000141 [0,0,0,1,0,1|1,0,0]=3 807 B13R2.10 O=C1CN=C(C2=CC=CC=C2)O1 SBB068903 [0,0,0,1,0,1|0,0,1]=3 808 B13R2.10 O=C1CSC(C2=CC=CC=C2)N1 SBB076217 [0,0,0,1,0,1|1,0,0]=3 809 B13R2.72 O=C(O)C1=CNC2=C1C=CC=C2 SBB003952 [0,0,0,1,0,1|0,0,2]=4 810 B13R2.72 O=C(O)C1=COC2=CC=CC=C21 SBB087579 [0,0,0,1,0,1|0,0,2]=4 811 B13R2.72 O=C(O)C1=CSC2=C1C=CC=C2 SBB007035 [0,0,0,1,0,1|0,0,2]=4 812 B13R2.72 O=C(O)C1=NNC2=CC=CC=C21 SBB002540 [0,0,0,1,0,1|1,0,1]=4 813 B13R2.163 O=C1CCCC2=C(C=CC=C2)N1 SBB087533 [0,0,0,1,0,1|1,0,0]=3 814 B13R2.163 O=C1CCNC2=C(C=CC=C2)N1 SBB045898 [0,0,0,1,0,1|1,0,0]=3 815 B13R2.423 O=C(Cl)[C@@H]1CC1C2=CC=CC=C2 SBB000222 [0,0,0,1,0,1|1,0,0]=3 816 B13R2.423 OC(=O)C1CC1C2=CC=CC=C2 SBB003944 [0,0,0,1,0,1|0,0,0]=2 817 B13R2.2382 C1=CC=C(COCC2CO2)C=C1 SBB060420 [0,0,0,1,0,1|1,0,1]=4 818 B13R2.147 O=C1CC(C2=CC=C(F)C=C2)N1 SBB051559 [0,1,0,1,0,0|1,0,0]=3 819 B13R2.155 CC1=CC2=C(C=C1)OCC(=O)N2 SBB087684 [0,1,0,1,0,0|2,0,0]=4 820 B13R2.155 NC1=CC2=C(C=C1)CCC(=O)N2 SBB012767 [0,1,0,1,0,0|1,0,0]=3 821 B13R2.155 NC1=CC2=C(C=C1)SCC(=O)N2 SBB007506 [0,1,0,1,0,0|2,0,0]=4 822 B13R2.155 NC1=CC=C2OCC(=O)NC2=C1 SBB016739 [0,1,0,1,0,0|2,0,0]=4 823 B13R2.155 O=C1CNC2=CC=C(Cl)C=C2O1 SBB300269 [0,1,0,1,0,0|1,0,0]=3 824 B13R2.155 O=C1COC2=C(C=C(Cl)C=C2)N1 SBB003725 [0,1,0,1,0,0|2,0,0]=4 825 B13R2.155 O=C1COC2=CC=C(F)C=C2N1 SBB019002 [0,1,0,1,0,0|2,0,0]=4 826 B13R2.32 CC1CCC2=CC=CC=C2C1=O SBB067641 [0,1,0,1,0,0|1,0,1]=4 827 B13R2.32 CN1C(=O)COC2=CC=CC=C21 SBB056034 [0,1,0,1,0,0|2,0,0]=4 828 B13R2.57 BrCC1CCC2=CC=CC=C2O1 SBB054977 [0,1,0,1,0,0|1,0,1]=4 829 B13R2.57 O=CC1=CC2=CC=CC=C2OC1 SBB010136 [0,1,0,1,0,0|2,0,0]=4 830 B13R2.369 CC1NC2=CC=CC=C2NC1=O SBB056026 [0,1,0,1,0,0|2,0,0]=4 831 B13R2.369 CN1CC2=C(C=CC=C2)NC1=O SBB057720 [0,1,0,1,0,0|2,0,0]=4 832 B13R2.369 NC1=CC2=C(C=CC=C2)OC1=O SBB028346 [0,1,0,1,0,0|0,0,2]=4 833 B13R2.369 NC1CC2=CC=CC=C2NC1=O SBB050350 [0,1,0,1,0,0|1,0,0]=3 834 B13R2.369 O=C1NC2=CC=CC=C2OC1=O SBB108834 [0,1,0,1,0,0|1,0,1]=4 835 B13R2.369 O=C1OC2=CC=CC=C2C=C1O SBB056328 [0,1,0,1,0,0|0,0,2]=4 836 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)N1 SBB003953 [0,1,0,1,0,0|0,0,2]=4 837 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)O1 SBB000137 [0,1,0,1,0,0|0,0,2]=4 838 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)S1 SBB003763 [0,1,0,1,0,0|0,0,2]=4 839 B13R2.435 O=C(O)C1=NC2=C(C=CC=C2)N1 SBB019032 [0,1,0,1,0,0|1,0,1]=4 840 B13R2.435 O=C(O)C1CC2=C(C=CC=C2)C1 SBB003945 [0,1,0,1,0,0|0,0,0]=2 841 B13R2.435 O=C(O)C1CC2=C(C=CC=C2)N1 SBB028477 [0,1,0,1,0,0|0,0,0]=2 842 B13R2.435 O=C(O)C1CC2=CC=CC=C2O1 SBB042729 [0,1,0,1,0,0|0,0,0]=2 843 B13R2.328 CC1=CC(=O)OC2=C1C=CC=C2 SBB062701 [0,1,0,1,0,0|0,0,2]=4 844 B13R2.328 O=C1C=C(O)C2=C(C=CC=C2)O1 SBB038533 [0,1,0,1,0,0|0,0,2]=4 845 B13R2.328 O=C1NC(=O)C2=C(C=CC=C2)O1 SBB003929 [0,1,0,1,0,0|1,0,1]=4 846 B13R2.222 CC1(C)CCC2=C(C=CC=C2)O1 SBB087638 [0,1,0,1,0,0|1,0,1]=4 847 B13R2.5179 O=C1COC2=C(Cl)C=CC=C2N1 SBB014314 [0,1,0,1,0,0|2,0,0]=4 848 B13R2.3683 CC1=CC2=C(C=C1)NC(=O)CS2 SBB037930 [0,1,0,1,0,0|2,0,0]=4 849 B13R2.3683 N1C(=O)CSC2=C1C=CC(Cl)=C2 SBB003549 [0,1,0,1,0,0|2,0,0]=4 850 B13R2.3683 NC1=CC2=C(C=C1)NC(=O)CC2 SBB013234 [0,1,0,1,0,0|1,0,0]=3 851 B13R2.3683 NC1=CC2=C(C=C1)NC(=O)CO2 SBB010445 [0,1,0,1,0,0|2,0,0]=4 852 B13R2.3683 NC1=CC=C2OC(=O)C=CC2=C1 SBB071793 [0,1,0,1,0,0|0,0,2]=4 853 B13R2.3683 O=C1C=CC2=CC(O)=CC=C2O1 SBB056309 [0,1,0,1,0,0|0,0,2]=4 854 B13R2.3683 O=C1CCC2=CC(F)=CC=C2N1 SBB054597 [0,1,0,1,0,0|1,0,0]=3 855 B13R2.3683 O=C1CCC2=CC(O)=CC=C2C1 SBB056305 [0,1,0,1,0,0|1,0,0]=3 856 B13R2.3683 O=C1CCC2=CC(O)=CC=C2N1 SBB056015 [0,1,0,1,0,0|1,0,0]=3 857 B13R2.3683 O=C1CSC2=C(C=CC(Br)=C2)N1 SBB005888 [0,1,0,1,0,0|2,0,0]=4 858 B9R1.6 C=C(C)C1=CC=CC=C1 SBB060154 [0,0,0,0,2,0|2,0,0]=4 859 B9R1.6 CC(=O)C1=CC=CC=C1 SBB040241 [0,0,0,0,2,0|1,0,0]=3 860 B9R1.6 CC(=O)C1=CC=NC=C1 SBB040256 [0,0,0,0,2,0|2,0,0]=4 861 B9R1.6 CC(=O)C1=CN=CC=C1 SBB040255 [0,0,0,0,2,0|2,0,0]=4 862 B9R1.6 CC(=O)C1=NC=CC=C1 SBB058824 [0,0,0,0,2,0|2,0,0]=4 863 B9R1.6 CC(O)C1=CC=CC=C1 SBB058702 [0,0,0,0,2,0|1,0,1]=4 864 B9R1.6 N=C(N)C1=CC=CC=C1 SBB055093 [0,0,0,0,2,0|2,0,0]=4 865 B9R1.6 NC(=O)C1=CC=CC=C1 SBB058198 [0,0,0,0,2,0|1,0,0]=3 866 B9R1.6 NC(=O)C1=CC=CC=N1 SBB008128 [0,0,0,0,2,0|2,0,0]=4 867 B9R1.6 NC(=O)C1=CC=CN=C1 SBB004283 [0,0,0,0,2,0|2,0,0]=4 868 B9R1.6 NC(=O)C1=CC=CN=C1 SBB055585 [0,0,0,0,2,0|2,0,0]=4 869 B9R1.6 NC(=S)C1=CC=CC=C1 SBB041177 [0,0,0,0,2,0|1,1,0]=4 870 B9R1.6 O=C(Cl)C1=CC=CC=C1 SBB059783 [0,0,0,0,2,0|1,0,0]=3 871 B9R1.6 O=C(Cl)C1=CC=CN=C1 SBB005806 [0,0,0,0,2,0|2,0,0]=4 872 B9R1.6 O=C(Cl)C1=CC=NC=C1 SBB000083 [0,0,0,0,2,0|2,0,0]=4 873 B9R1.6 O=C(Cl)C1=NC=CC=C1 SBB053631 [0,0,0,0,2,0|2,0,0]=4 874 B9R1.6 O=C(F)C1=CC=CC=C1 SBB085547 [0,0,0,0,2,0|1,0,0]=3 875 B9R1.6 O=C(O)C1=CC=CC=C1 SBB040515 [0,0,0,0,2,0|0,0,0]=2 876 B9R1.6 O=C(O)C1=CC=CN=C1 SBB004279 [0,0,0,0,2,0|1,0,0]=3 877 B9R1.6 O=C(O)C1=CC=CN=N1 SBB053230 [0,0,0,0,2,0|2,0,0]=4 878 B9R1.6 O=C(O)C1=CC=NC=C1 SBB004278 [0,0,0,0,2,0|1,0,0]=3 879 B9R1.6 O=C(O)C1=CC=NC=N1 SBB018520 [0,0,0,0,2,0|2,0,0]=4 880 B9R1.6 O=C(O)C1=CC=NN=C1 SBB053242 [0,0,0,0,2,0|2,0,0]=4 881 B9R1.6 O=C(O)C1=CN=CN=C1 SBB053218 [0,0,0,0,2,0|2,0,0]=4 882 B9R1.6 O=C(O)C1=NC=CC=C1 SBB004277 [0,0,0,0,2,0|1,0,0]=3 883 B9R1.6 O=C(O)C1=NC=CC=N1 SBB005602 [0,0,0,0,2,0|2,0,0]=4 884 B9R1.6 O=C(O)C1=NC=CN=C1 SBB000051 [0,0,0,0,2,0|2,0,0]=4 885 B9R1.6 O=[N+]([O-])C1=CC=CC=C1 SBB040911 [0,0,0,0,2,0|1,0,1]=4 886 B9R1.13 O=C(Cl)CC1=CC=CS1 SBB006705 [0,0,0,0,2,0|2,0,0]=4 887 B9R1.13 O=C(O)CC1=CN=CN1 SBB003940 [0,0,0,0,2,0|2,0,0]=4 888 B9R1.13 O=C(O)CC1=CSC=N1 SBB018908 [0,0,0,0,2,0|2,0,0]=4 889 B9R1.13 O=C(O)CN1C=CC=N1 SBB010248 [0,0,0,0,2,0|2,0,0]=4 890 B9R1.13 O=C(O)CN1C=CN=C1 SBB010182 [0,0,0,0,2,0|2,0,0]=4 891 B9R1.13 OC(=O)CC1=CC=CS1 SBB004145 [0,0,0,0,2,0|1,0,0]=3 892 B9R1.13 OC(=O)CC1=CNC=N1 SBB005448 [0,0,0,0,2,0|2,0,0]=4 893 B9R1.13 OC(=O)CC1=CSC=C1 SBB004147 [0,0,0,0,2,0|1,0,0]=3 894 B13R1.337 CC(=O)NCCOC1=CC=CN=C1 SBB072312 [0,0,0,0,0,2|2,0,0]=4 895 B13R1.337 NC(=O)CCNCC1=CC=CC=C1 SBB080364 [0,0,0,0,0,2|1,0,0]=3 896 B13R1.337 O=C(O)CCCCC1=CC=CC=C1 SBB069090 [0,0,0,0,0,2|0,0,0]=2 897 B13R1.337 O=C(O)CCCNC1=NC=CC=N1 SBB085446 [0,0,0,0,0,2|2,0,0]=4 898 B13R1.337 O=C(O)CCCOC1=CC=CC=C1 SBB015389 [0,0,0,0,0,2|0,0,0]=2 899 B13R1.337 O=C(O)CCSCC1=CC=CC=C1 SBB111687 [0,0,0,0,0,2|0,0,0]=2 900 B13R1.337 O=C(O)CSCCC1=NC=CC=C1 SBB300316 [0,0,0,0,0,2|1,0,0]=3 901 B13R1.337 O=C(O)CS\C=C\C1=CC=CC=C1 SBB091776 [0,0,0,0,0,2|0,0,1]=3