0 B11R1.91 CC(=O)C#CC1=CC=CC=C1 SBB015101 [0,0,0,0,0,0|0,0,4]=4 1 B11R1.91 CC(=O)CCC1=CC=CC=C1 SBB058827 [0,0,0,0,0,0|0,0,2]=2 2 B11R1.91 CC(=O)NNC1=CC=CC=C1 SBB058004 [0,0,0,0,0,0|2,0,2]=4 3 B11R1.91 CC(=O)OCC1=CC=CC=C1 SBB058375 [0,0,0,0,0,0|1,0,2]=3 4 B11R1.91 CC(=O)O[I+]C1=CC=CC=C1 SBB057853 [0,0,0,0,0,0|2,0,2]=4 5 B11R1.91 CC(C)=CCC1=CC=CC=C1 SBB007979 [0,0,0,0,0,0|1,0,2]=3 6 B11R1.91 CC(C)NCC1=CC=CC=C1 SBB048017 [0,0,0,0,0,0|2,0,0]=2 7 B11R1.91 CC(N)CCC1=CC=CC=C1 SBB059846 [0,0,0,0,0,0|1,0,0]=1 8 B11R1.91 CC(N)COC1=CC=CC=C1 SBB084093 [0,0,0,0,0,0|2,0,0]=2 9 B11R1.91 CC(O)C#CC1=CC=CC=C1 SBB015100 [0,0,0,0,0,0|0,0,2]=2 10 B11R1.91 CN(C)CCC1=NC=CC=C1 SBB086734 [0,0,0,0,0,0|3,0,0]=3 11 B11R1.91 CN(C)\C=N\C1=CC=CC=C1 SBB007927 [0,0,0,0,0,0|3,0,1]=4 12 B11R1.91 N=C(N)CSC1=CC=CC=C1 SBB055427 [0,0,0,0,0,0|3,0,1]=4 13 B11R1.91 NC(=O)CCC1=CC=CC=C1 SBB058119 [0,0,0,0,0,0|1,0,2]=3 14 B11R1.91 NC(=O)COC1=CC=CC=C1 SBB028296 [0,0,0,0,0,0|2,0,2]=4 15 B11R1.91 NC(=O)NCC1=CC=CC=C1 SBB058548 [0,0,0,0,0,0|2,0,2]=4 16 B11R1.91 NC(=O)OCC1=CC=CC=C1 SBB058407 [0,0,0,0,0,0|2,0,2]=4 17 B11R1.91 NC(=S)CCC1=NC=CC=C1 SBB019122 [0,0,0,0,0,0|2,1,1]=4 18 B11R1.91 NC(=S)COC1=CC=CC=C1 SBB016514 [0,0,0,0,0,0|2,1,1]=4 19 B11R1.91 NC(=S)NCC1=CC=CC=C1 SBB088032 [0,0,0,0,0,0|2,1,1]=4 20 B11R1.91 NC(N)=NCC1=CC=CC=C1 SBB055108 [0,0,0,0,0,0|3,0,1]=4 21 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 SBB058859 [0,0,0,0,0,0|1,0,2]=3 22 B11R1.91 O=C(Cl)COC1=CC=CC=C1 SBB040630 [0,0,0,0,0,0|2,0,2]=4 23 B11R1.91 O=C(Cl)OCC1=CC=CC=C1 SBB063193 [0,0,0,0,0,0|2,0,2]=4 24 B11R1.91 O=C(O)C#CC1=CC=CC=C1 SBB044891 [0,0,0,0,0,0|1,0,3]=4 25 B11R1.91 O=C(O)CCC1=CC=CC=C1 SBB056662 [0,0,0,0,0,0|1,0,1]=2 26 B11R1.91 O=C(O)CCC1=CC=CC=N1 SBB018634 [0,0,0,0,0,0|2,0,1]=3 27 B11R1.91 O=C(O)CCC1=CC=NC=C1 SBB012865 [0,0,0,0,0,0|2,0,1]=3 28 B11R1.91 O=C(O)CCC1=CN=CC=C1 SBB028468 [0,0,0,0,0,0|2,0,1]=3 29 B11R1.91 O=C(O)CNC1=CC=CC=C1 SBB028637 [0,0,0,0,0,0|2,0,1]=3 30 B11R1.91 O=C(O)COC1=CC=CC=C1 SBB040522 [0,0,0,0,0,0|2,0,1]=3 31 B11R1.91 O=C(O)COC1=CC=CC=N1 SBB086897 [0,0,0,0,0,0|3,0,1]=4 32 B11R1.91 O=C(O)COC1=CN=CC=C1 SBB027277 [0,0,0,0,0,0|3,0,1]=4 33 B11R1.91 O=C(O)CSC1=CC=CC=C1 SBB001712 [0,0,0,0,0,0|2,0,1]=3 34 B11R1.91 O=C(O)CSC1=CC=NC=C1 SBB028482 [0,0,0,0,0,0|3,0,1]=4 35 B11R1.91 O=C(O)CSC1=NC=CC=C1 SBB010505 [0,0,0,0,0,0|3,0,1]=4 36 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 SBB028745 [0,0,0,0,0,0|1,0,3]=4 37 B11R1.91 OB(O)CCC1=CC=CC=C1 SBB071100 [0,0,0,0,0,0|2,0,0]=2 38 B10R1.17 BrCCCC1=CN=CC=C1 SBB014930 [1,0,0,0,0,0|2,0,0]=3 39 B10R1.17 BrCCOC1=CC=CC=C1 SBB042586 [1,0,0,0,0,0|2,0,0]=3 40 B10R1.17 BrCCSC1=CC=CC=C1 SBB059699 [1,0,0,0,0,0|2,0,0]=3 41 B10R1.17 C#CCNC1=CC=CC=C1 SBB010262 [1,0,0,0,0,0|1,0,2]=4 42 B10R1.17 C#CCOC1=CC=CC=C1 SBB008983 [1,0,0,0,0,0|1,0,2]=4 43 B10R1.17 C(=O)CCC1=CC=CC=C1 SBB006730 [1,0,0,0,0,0|0,0,2]=3 44 B10R1.17 C=CCCC1=CC=CC=C1 SBB008476 [1,0,0,0,0,0|0,0,2]=3 45 B10R1.17 CCCNC1=CC=CC=C1 SBB059800 [1,0,0,0,0,0|1,0,0]=2 46 B10R1.17 CCCOC1=CC=CC=C1 SBB061098 [1,0,0,0,0,0|1,0,0]=2 47 B10R1.17 CCNCC1=CC=CC=C1 SBB058765 [1,0,0,0,0,0|1,0,0]=2 48 B10R1.17 CCNCC1=CC=NC=C1 SBB058813 [1,0,0,0,0,0|2,0,0]=3 49 B10R1.17 CCOCC1=CC=CC=C1 SBB061196 [1,0,0,0,0,0|1,0,0]=2 50 B10R1.17 CCSCC1=CC=CC=C1 SBB061362 [1,0,0,0,0,0|1,0,0]=2 51 B10R1.17 CNCCC1=NC=CC=C1 SBB017551 [1,0,0,0,0,0|2,0,0]=3 52 B10R1.17 CNCCC1=NC=CC=C1 SBB040053 [1,0,0,0,0,0|2,0,0]=3 53 B10R1.17 ClCCCC1=CC=CC=C1 SBB061361 [1,0,0,0,0,0|1,0,0]=2 54 B10R1.17 ClCOCC1=CC=CC=C1 SBB064207 [1,0,0,0,0,0|2,0,0]=3 55 B10R1.17 ClCSCC1=CC=CC=C1 SBB055458 [1,0,0,0,0,0|2,0,0]=3 56 B10R1.17 ClC\C=C\C1=CC=CC=C1 SBB040602 [1,0,0,0,0,0|1,0,2]=4 57 B10R1.17 N#CCCC1=NC=CC=C1 SBB018592 [1,0,0,0,0,0|2,0,1]=4 58 B10R1.17 N#CCOC1=CC=CC=C1 SBB016774 [1,0,0,0,0,0|2,0,1]=4 59 B10R1.17 N#CSCC1=CC=CC=C1 SBB056767 [1,0,0,0,0,0|2,0,1]=4 60 B10R1.17 N(CC=C)C1=CC=CC=C1 SBB004211 [1,0,0,0,0,0|1,0,2]=4 61 B10R1.17 NCCCC1=CC=CC=C1 SBB028248 [1,0,0,0,0,0|1,0,0]=2 62 B10R1.17 NCCCC1=CC=CC=N1 SBB012768 [1,0,0,0,0,0|2,0,0]=3 63 B10R1.17 NCCNC1=CC=CC=C1 SBB004200 [1,0,0,0,0,0|2,0,0]=3 64 B10R1.17 NCCOC1=CC=CC=C1 SBB085982 [1,0,0,0,0,0|2,0,0]=3 65 B10R1.17 NCCSC1=CC=CC=C1 SBB047720 [1,0,0,0,0,0|2,0,0]=3 66 B10R1.17 NCCSC1=NC=CC=C1 SBB050976 [1,0,0,0,0,0|3,0,0]=4 67 B10R1.17 O=C=NCC1=CC=CC=C1 SBB048859 [1,0,0,0,0,0|1,0,2]=4 68 B10R1.17 O=COCC1=CC=CC=C1 SBB061238 [1,0,0,0,0,0|1,0,2]=4 69 B10R1.17 OCC#CC1=CC=CC=C1 SBB015103 [1,0,0,0,0,0|0,0,2]=3 70 B10R1.17 OCCCC1=CC=CC=C1 SBB061127 [1,0,0,0,0,0|0,0,0]=1 71 B10R1.17 OCCCC1=CC=NC=C1 SBB072686 [1,0,0,0,0,0|1,0,0]=2 72 B10R1.17 OCCOC1=CC=CC=C1 SBB060485 [1,0,0,0,0,0|1,0,0]=2 73 B10R1.17 OC\C=C\C1=CC=CC=C1 SBB058645 [1,0,0,0,0,0|0,0,2]=3 74 B10R1.17 S=C=NCC1=CC=CC=C1 SBB002731 [1,0,0,0,0,0|1,1,1]=4 75 B10R1.17 [N-]=[N+]=NCC1=CC=CC=C1 SBB008183 [1,0,0,0,0,0|3,0,0]=4 76 B12R1.21 C=C(C)COC1=CC=C(N)C=C1 SBB080146 [0,1,0,0,0,0|2,0,1]=4 77 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 SBB056768 [0,1,0,0,0,0|0,0,2]=3 78 B12R1.21 CC(=O)COC1=CC=C(Cl)C=C1 SBB072870 [0,1,0,0,0,0|1,0,2]=4 79 B12R1.21 CC(=O)CSC1=CC=C(C)C=C1 SBB089710 [0,1,0,0,0,0|1,0,2]=4 80 B12R1.21 CC(=O)CSC1=CC=C(Cl)C=C1 SBB057983 [0,1,0,0,0,0|1,0,2]=4 81 B12R1.21 CC(=O)CSC1=CC=C(F)C=C1 SBB090182 [0,1,0,0,0,0|1,0,2]=4 82 B12R1.21 CC(=O)NCC1=CC=C(F)C=C1 SBB055227 [0,1,0,0,0,0|1,0,2]=4 83 B12R1.21 CC(=O)OCC1=CC=C(C)C=C1 SBB116862 [0,1,0,0,0,0|1,0,2]=4 84 B12R1.21 CC(C)COC1=CC=C(N)C=C1 SBB079898 [0,1,0,0,0,0|2,0,0]=3 85 B12R1.21 CC(C)NCC1=CC=C(F)C=C1 SBB109028 [0,1,0,0,0,0|2,0,0]=3 86 B12R1.21 CC(N)CCC1=CC=C(Cl)C=C1 SBB010707 [0,1,0,0,0,0|1,0,0]=2 87 B12R1.21 CC(N)CCC1=CC=C(F)C=C1 SBB010486 [0,1,0,0,0,0|1,0,0]=2 88 B12R1.21 CC(N)COC1=CC=C(Cl)C=C1 SBB010732 [0,1,0,0,0,0|2,0,0]=3 89 B12R1.21 CC1=CC=C(CCC(=O)O)C=C1 SBB016295 [0,1,0,0,0,0|1,0,1]=3 90 B12R1.21 CC1=CC=C(NCC(=O)O)C=C1 SBB046297 [0,1,0,0,0,0|2,0,1]=4 91 B12R1.21 CC1=CC=C(NCC(F)F)C=C1 SBB046684 [0,1,0,0,0,0|3,0,0]=4 92 B12R1.21 CC1=CC=C(OCC(=O)O)C=C1 SBB004531 [0,1,0,0,0,0|2,0,1]=4 93 B12R1.21 CC1=CC=C(SCC(=O)O)C=C1 SBB038335 [0,1,0,0,0,0|2,0,1]=4 94 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 SBB010089 [0,1,0,0,0,0|1,0,1]=3 95 B12R1.21 NC1=CC=C(OCC(=O)O)C=C1 SBB001635 [0,1,0,0,0,0|2,0,1]=4 96 B12R1.21 NC1=CC=C(OCC(F)F)C=C1 SBB024495 [0,1,0,0,0,0|3,0,0]=4 97 B12R1.21 O=C(O)CCC1=CC=C(Br)C=C1 SBB017617 [0,1,0,0,0,0|1,0,1]=3 98 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 SBB010179 [0,1,0,0,0,0|1,0,1]=3 99 B12R1.21 O=C(O)CCC1=CC=C(F)C=C1 SBB017621 [0,1,0,0,0,0|1,0,1]=3 100 B12R1.21 O=C(O)CCC1=CC=C(I)C=C1 SBB052832 [0,1,0,0,0,0|1,0,1]=3 101 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 SBB064098 [0,1,0,0,0,0|1,0,1]=3 102 B12R1.21 O=C(O)CNC1=CC=C(Cl)C=C1 SBB016740 [0,1,0,0,0,0|2,0,1]=4 103 B12R1.21 O=C(O)CNC1=CC=C(F)C=C1 SBB063172 [0,1,0,0,0,0|2,0,1]=4 104 B12R1.21 O=C(O)CNC1=CC=C(O)C=C1 SBB003884 [0,1,0,0,0,0|2,0,1]=4 105 B12R1.21 O=C(O)COC1=CC=C(Br)C=C1 SBB004535 [0,1,0,0,0,0|2,0,1]=4 106 B12R1.21 O=C(O)COC1=CC=C(Cl)C=C1 SBB004537 [0,1,0,0,0,0|2,0,1]=4 107 B12R1.21 O=C(O)COC1=CC=C(F)C=C1 SBB030014 [0,1,0,0,0,0|2,0,1]=4 108 B12R1.21 O=C(O)COC1=CC=C(I)C=C1 SBB063740 [0,1,0,0,0,0|2,0,1]=4 109 B12R1.21 O=C(O)CSC1=CC=C(F)C=C1 SBB052749 [0,1,0,0,0,0|2,0,1]=4 110 B12R1.21 OC(=O)CSC1=CC=C(Cl)C=C1 SBB003520 [0,1,0,0,0,0|2,0,1]=4 111 B12R1.27 CC(CO)NCC1=CC=CC=C1 SBB010465 [0,1,0,0,0,0|1,0,0]=2 112 B12R1.27 CCC(=O)OCC1=CC=CC=C1 SBB061239 [0,1,0,0,0,0|1,0,2]=4 113 B12R1.27 CCC(O)C#CC1=CC=CC=C1 SBB008984 [0,1,0,0,0,0|0,0,2]=3 114 B12R1.27 CNC(=S)NCC1=CC=CC=C1 SBB017711 [0,1,0,0,0,0|1,1,1]=4 115 B12R1.27 COC(=O)CCC1=CN=CC=C1 SBB071440 [0,1,0,0,0,0|1,0,2]=4 116 B12R1.27 COC(=O)CSC1=CC=CC=C1 SBB089934 [0,1,0,0,0,0|1,0,2]=4 117 B12R1.27 COC(=O)NCC1=CC=CC=C1 SBB080563 [0,1,0,0,0,0|1,0,2]=4 118 B12R1.27 NCC(=O)OCC1=CC=CC=C1 SBB063677 [0,1,0,0,0,0|1,0,2]=4 119 B12R1.27 NNC(=O)CCC1=CC=CC=C1 SBB000151 [0,1,0,0,0,0|1,0,2]=4 120 B12R1.27 O=C(CBr)NCC1=CC=CC=C1 SBB080035 [0,1,0,0,0,0|1,0,2]=4 121 B12R1.27 O=C(CBr)OCC1=CC=CC=C1 SBB006752 [0,1,0,0,0,0|1,0,2]=4 122 B12R1.27 O=C(CCl)NCC1=CC=CC=C1 SBB038576 [0,1,0,0,0,0|1,0,2]=4 123 B12R1.27 O=C(CCl)OCC1=CC=CC=C1 SBB064876 [0,1,0,0,0,0|1,0,2]=4 124 B12R1.27 O=C(CS)OCC1=CC=CC=C1 SBB057444 [0,1,0,0,0,0|1,0,2]=4 125 B12R1.27 OC(CCl)COC1=CC=CC=C1 SBB061224 [0,1,0,0,0,0|1,0,0]=2 126 B12R1.27 OC(COC1=CC=CC=C1)CN SBB010049 [0,1,0,0,0,0|1,0,0]=2 127 B12R1.27 OC[C@H](O)COC1=CC=CC=C1 SBB088177 [0,1,0,0,0,0|1,0,0]=2 128 B12R1.43 CC(=O)C(N)CC1=CC=CC=C1 SBB014560 [0,1,0,0,0,0|0,0,2]=3 129 B12R1.43 CC(OC1=CC=CC=C1)C(=O)O SBB079963 [0,1,0,0,0,0|2,0,1]=4 130 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 SBB027287 [0,1,0,0,0,0|1,0,2]=4 131 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O SBB058700 [0,1,0,0,0,0|1,0,1]=3 132 B12R1.43 N[C@@H](CC1=CC=CN=C1)C(=O)O SBB065646 [0,1,0,0,0,0|2,0,1]=4 133 B12R1.43 N[C@H](CC1=CC=CC=N1)C(=O)O SBB065302 [0,1,0,0,0,0|2,0,1]=4 134 B12R1.43 N[C@H](CC1=CC=CN=C1)C(=O)O SBB065223 [0,1,0,0,0,0|2,0,1]=4 135 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 SBB012361 [0,1,0,0,0,0|1,0,2]=4 136 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 SBB012365 [0,1,0,0,0,0|1,0,1]=3 137 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 SBB040798 [0,1,0,0,0,0|0,0,3]=4 138 B12R1.107 CC(=O)NC(C)C1=CC=CC=C1 SBB058063 [0,1,0,0,0,0|1,0,2]=4 139 B12R1.107 CC(C)NC(=O)C1=CC=CC=C1 SBB058207 [0,1,0,0,0,0|2,0,1]=4 140 B12R1.107 C[S+](C)CC(=O)C1=CC=CC=C1 SBB063237 [0,1,0,0,0,0|2,0,1]=4 141 B12R1.107 N(C(C)C)[C@H](C)C1=CC=CC=C1 SBB059587 [0,1,0,0,0,0|2,0,0]=3 142 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 SBB001851 [0,1,0,0,0,0|1,0,1]=3 143 B12R1.107 O=C(O)CC(Br)C1=CC=CC=C1 SBB008428 [0,1,0,0,0,0|1,0,1]=3 144 B12R1.107 O=C(O)CC(O)C1=CC=CC=C1 SBB063579 [0,1,0,0,0,0|1,0,1]=3 145 B12R1.107 O=[N+]([O-])CC(O)C1=CC=CC=C1 SBB001885 [0,1,0,0,0,0|2,0,1]=4 146 B12R1.125 C=C(C)COC1=CC=CC=C1N SBB080151 [0,1,0,0,0,0|2,0,1]=4 147 B12R1.125 CC(=O)NCC1=C(Br)C=CC=C1 SBB079113 [0,1,0,0,0,0|1,0,2]=4 148 B12R1.125 CC(C)COC1=C(N)C=CC=C1 SBB080113 [0,1,0,0,0,0|2,0,0]=3 149 B12R1.125 CC(C)NCC1=C(F)C=CC=C1 SBB109026 [0,1,0,0,0,0|2,0,0]=3 150 B12R1.125 CC1=C(OCC(=O)O)C=CC=C1 SBB004532 [0,1,0,0,0,0|2,0,1]=4 151 B12R1.125 CC1=CC=CC=C1CCC(=O)O SBB067749 [0,1,0,0,0,0|1,0,1]=3 152 B12R1.125 CC1=CC=CC=C1NCC(=O)O SBB016671 [0,1,0,0,0,0|2,0,1]=4 153 B12R1.125 NC1=CC=CC=C1OCC(F)F SBB024497 [0,1,0,0,0,0|3,0,0]=4 154 B12R1.125 NC1=CC=CC=C1SCC(F)F SBB025035 [0,1,0,0,0,0|3,0,0]=4 155 B12R1.125 O=C(O)CCC1=CC=CC=C1Br SBB064066 [0,1,0,0,0,0|1,0,1]=3 156 B12R1.125 O=C(O)CCC1=CC=CC=C1Cl SBB069087 [0,1,0,0,0,0|1,0,1]=3 157 B12R1.125 O=C(O)CCC1=CC=CC=C1F SBB010203 [0,1,0,0,0,0|1,0,1]=3 158 B12R1.125 O=C(O)CCC1=CC=CC=C1O SBB063739 [0,1,0,0,0,0|1,0,1]=3 159 B12R1.125 O=C(O)CCN1C=CC=CC1=O SBB072181 [0,1,0,0,0,0|2,0,1]=4 160 B12R1.125 O=C(O)CNC1=CC=CC=C1Cl SBB063875 [0,1,0,0,0,0|2,0,1]=4 161 B12R1.125 O=C(O)COC1=C(O)C=CC=C1 SBB080750 [0,1,0,0,0,0|2,0,1]=4 162 B12R1.125 O=C(O)COC1=CC=CC=C1Br SBB038788 [0,1,0,0,0,0|2,0,1]=4 163 B12R1.125 O=C(O)COC1=CC=CC=C1Cl SBB004546 [0,1,0,0,0,0|2,0,1]=4 164 B12R1.125 O=C(O)COC1=CC=CC=C1F SBB007049 [0,1,0,0,0,0|2,0,1]=4 165 B12R1.226 C=C(C)COC1=CC(N)=CC=C1 SBB080148 [0,1,0,0,0,0|2,0,1]=4 166 B12R1.226 CC(=O)CCC1=CC(Br)=CC=C1 SBB055142 [0,1,0,0,0,0|0,0,2]=3 167 B12R1.226 CC(C)COC1=CC(N)=CC=C1 SBB027489 [0,1,0,0,0,0|2,0,0]=3 168 B12R1.226 CC(C)NCC1=CC(F)=CC=C1 SBB109027 [0,1,0,0,0,0|2,0,0]=3 169 B12R1.226 CC1=CC(NCC(=O)O)=CC=C1 SBB046298 [0,1,0,0,0,0|2,0,1]=4 170 B12R1.226 CC1=CC(OCC(=O)O)=CC=C1 SBB004530 [0,1,0,0,0,0|2,0,1]=4 171 B12R1.226 CC1=CC=CC(CCC(=O)O)=C1 SBB067747 [0,1,0,0,0,0|1,0,1]=3 172 B12R1.226 NC1=CC=CC(CCC(=O)O)=C1 SBB028355 [0,1,0,0,0,0|1,0,1]=3 173 B12R1.226 NC1=CC=CC(OCC(F)F)=C1 SBB036329 [0,1,0,0,0,0|3,0,0]=4 174 B12R1.226 O=C(O)CCC1=CC(F)=CC=C1 SBB010231 [0,1,0,0,0,0|1,0,1]=3 175 B12R1.226 O=C(O)CCC1=CC(O)=CC=C1 SBB057915 [0,1,0,0,0,0|1,0,1]=3 176 B12R1.226 O=C(O)CCC1=CC=CC(Br)=C1 SBB063235 [0,1,0,0,0,0|1,0,1]=3 177 B12R1.226 O=C(O)CCC1=CC=CC(Cl)=C1 SBB005906 [0,1,0,0,0,0|1,0,1]=3 178 B12R1.226 O=C(O)COC1=CC(Br)=CC=C1 SBB015442 [0,1,0,0,0,0|2,0,1]=4 179 B12R1.226 O=C(O)COC1=CC=CC(Cl)=C1 SBB043647 [0,1,0,0,0,0|2,0,1]=4 180 B12R1.226 O=C(O)COC1=CC=CC(F)=C1 SBB027407 [0,1,0,0,0,0|2,0,1]=4 181 B12R1.891 CC(C)(C)NCC1=CC=CC=C1 SBB072754 [0,1,0,0,0,0|2,0,0]=3 182 B12R1.891 CC(C)(C)\N=C\C1=CC=CC=C1 SBB008132 [0,1,0,0,0,0|2,0,1]=4 183 B12R1.891 CC(C)(O)C#CC1=CC=CC=C1 SBB008964 [0,1,0,0,0,0|0,0,2]=3 184 B12R1.891 CC(C)(O)C#CC1=NC=CC=C1 SBB087535 [0,1,0,0,0,0|1,0,2]=4 185 B12R1.891 O=P(O)(O)CCC1=CC=CC=C1 SBB057482 [0,1,0,0,0,0|2,0,0]=3 186 B12R1.891 O=S(=O)(Cl)CCC1=CC=CC=C1 SBB018064 [0,1,0,0,0,0|2,0,1]=4 187 B12R1.891 O=S(=O)(O)CCC1=CC=CC=N1 SBB008555 [0,1,0,0,0,0|3,0,0]=4 188 B12R1.891 O=S(=O)(O)CCC1=CC=NC=C1 SBB057700 [0,1,0,0,0,0|3,0,0]=4 189 B12R1.891 O=S(=O)(O)CCC1=CC=NC=C1 SBB072726 [0,1,0,0,0,0|3,0,0]=4 190 B12R1.891 O=S(=O)(O)CCC1=NC=CC=C1 SBB057680 [0,1,0,0,0,0|3,0,0]=4 191 B12R2.24 CC1CCC2=CC=CC=C2N1 SBB039108 [0,0,0,1,0,0|1,0,0]=2 192 B12R2.24 CC1CNC2=C(C=CC=C2)S1 SBB048277 [0,0,0,1,0,0|1,1,0]=3 193 B12R2.24 CC1CNC2=CC=CC=C2O1 SBB080829 [0,0,0,1,0,0|1,0,0]=2 194 B12R2.24 NC1CCC2=C(C=CC=C2)C1 SBB072624 [0,0,0,1,0,0|1,0,0]=2 195 B12R2.24 O=C1CC2=C(C=CC=C2)CO1 SBB068599 [0,0,0,1,0,0|1,0,2]=4 196 B12R2.24 O=C1CCC2=C(C=CC=C2)O1 SBB058834 [0,0,0,1,0,0|1,0,1]=3 197 B12R2.24 O=C1CCC2=CC=CC=C2N1 SBB056014 [0,0,0,1,0,0|1,0,2]=4 198 B12R2.24 OC1CCC2=C(C=CC=C2)C1 SBB008511 [0,0,0,1,0,0|0,0,0]=1 199 B12R2.2057 C1=CC(CNC2CC2)=CC=N1 SBB085367 [0,0,0,1,0,0|3,0,0]=4 200 B12R2.2057 C1=CC(CNC2CC2)=CN=C1 SBB085360 [0,0,0,1,0,0|3,0,0]=4 201 B12R2.2057 C1=CC=C(OCC2CO2)C=C1 SBB060525 [0,0,0,1,0,0|1,0,0]=2 202 B12R2.2057 C1=CN=C(CNC2CC2)C=C1 SBB046556 [0,0,0,1,0,0|3,0,0]=4 203 B12R2.3190 O=C(O)C1CC2=CC=CC=C21 SBB053554 [0,0,0,1,0,0|1,0,1]=3 204 B10R1.18 CC(=O)CC1=CC=NC=C1 SBB055597 [0,0,0,0,1,0|1,0,2]=4 205 B10R1.18 CC(=O)NC1=CC=CC=C1 SBB040833 [0,0,0,0,1,0|1,0,2]=4 206 B10R1.18 CC(=O)OC1=CC=CC=C1 SBB058747 [0,0,0,0,1,0|1,0,2]=4 207 B10R1.18 CC(=S)NC1=CC=CC=C1 SBB086797 [0,0,0,0,1,0|1,1,1]=4 208 B10R1.18 CC(C)NC1=CC=CC=C1 SBB007921 [0,0,0,0,1,0|2,0,0]=3 209 B10R1.18 CC(N)CC1=CC=CC=N1 SBB025629 [0,0,0,0,1,0|2,0,0]=3 210 B10R1.18 CC(N)CC1=CN=CC=N1 SBB025636 [0,0,0,0,1,0|3,0,0]=4 211 B10R1.18 CN(C)CC1=CC=CC=C1 SBB060233 [0,0,0,0,1,0|2,0,0]=3 212 B10R1.18 C\[N+]([O-])=C/C1=CC=CC=C1 SBB085895 [0,0,0,0,1,0|1,0,2]=4 213 B10R1.18 FC(F)OC1=CC=CC=C1 SBB070688 [0,0,0,0,1,0|3,0,0]=4 214 B10R1.18 NC(=O)CC1=CC=CC=C1 SBB017634 [0,0,0,0,1,0|1,0,2]=4 215 B10R1.18 NC(=S)CC1=CC=CC=C1 SBB016517 [0,0,0,0,1,0|1,1,1]=4 216 B10R1.18 O=C(Cl)CC1=CC=CC=C1 SBB040622 [0,0,0,0,1,0|1,0,2]=4 217 B10R1.18 O=C(O)CC1=CC=CN=C1 SBB003812 [0,0,0,0,1,0|2,0,1]=4 218 B10R1.18 O=C(O)CC1=NC=CC=C1 SBB003810 [0,0,0,0,1,0|2,0,1]=4 219 B10R1.18 OB(O)CC1=CC=CC=C1 SBB052526 [0,0,0,0,1,0|2,0,0]=3 220 B10R1.18 OC(=O)CC1=CC=NC=C1 SBB005759 [0,0,0,0,1,0|2,0,1]=4 221 B10R1.66 CC(N)CCC1=CC=CO1 SBB007120 [0,0,0,0,1,0|2,0,0]=3 222 B10R1.66 O=C(O)CCN1C=CC=C1 SBB010274 [0,0,0,0,1,0|2,0,1]=4 223 B10R1.66 OC(=O)CCC1=CC=CO1 SBB005449 [0,0,0,0,1,0|2,0,1]=4 224 B12R1.252 CC(=O)CCCC1=CC=CC=N1 SBB018700 [0,0,0,0,0,1|1,0,2]=4 225 B12R1.252 CC(=O)CSCC1=CC=CC=C1 SBB058580 [0,0,0,0,0,1|0,0,2]=3 226 B12R1.252 CC(=O)NCCC1=CC=CC=C1 SBB058213 [0,0,0,0,0,1|0,0,2]=3 227 B12R1.252 CC(=O)OCCC1=CC=CC=C1 SBB061194 [0,0,0,0,0,1|0,0,2]=3 228 B12R1.252 CC(C)NCCC1=CC=CC=C1 SBB080102 [0,0,0,0,0,1|1,0,0]=2 229 B12R1.252 CC(N)CCCC1=CC=CC=C1 SBB010444 [0,0,0,0,0,1|1,0,0]=2 230 B12R1.252 FC(F)CNCC1=CC=CC=C1 SBB046667 [0,0,0,0,0,1|2,0,0]=3 231 B12R1.252 N=C(N)NCCC1=CC=CC=C1 SBB102430 [0,0,0,0,0,1|2,0,1]=4 232 B12R1.252 NC(=O)CCCC1=CC=CC=C1 SBB051450 [0,0,0,0,0,1|1,0,2]=4 233 B12R1.252 NC(=S)NCCC1=CC=CC=C1 SBB017394 [0,0,0,0,0,1|1,1,1]=4 234 B12R1.252 O=C(Cl)CCCC1=CC=CC=C1 SBB040702 [0,0,0,0,0,1|1,0,2]=4 235 B12R1.252 O=C(Cl)COCC1=CC=CC=C1 SBB063195 [0,0,0,0,0,1|1,0,2]=4 236 B12R1.252 O=C(O)CCCC1=CC=CC=C1 SBB008452 [0,0,0,0,0,1|1,0,1]=3 237 B12R1.252 O=C(O)CCCC1=CC=CC=N1 SBB014662 [0,0,0,0,0,1|2,0,1]=4 238 B12R1.252 O=C(O)CCCC1=CC=NC=C1 SBB014669 [0,0,0,0,0,1|2,0,1]=4 239 B12R1.252 O=C(O)CCSC1=CC=CC=C1 SBB049906 [0,0,0,0,0,1|1,0,1]=3 240 B12R1.252 O=C(O)CCSC1=CC=CC=N1 SBB103611 [0,0,0,0,0,1|2,0,1]=4 241 B12R1.252 O=C(O)CNCC1=CC=CC=C1 SBB003529 [0,0,0,0,0,1|1,0,1]=3 242 B12R1.252 O=C(O)CNCC1=CC=CC=C1 SBB063075 [0,0,0,0,0,1|1,0,1]=3 243 B12R1.252 O=C(O)COCC1=CC=CC=C1 SBB048109 [0,0,0,0,0,1|1,0,1]=3 244 B12R1.252 O=C(O)CSCC1=CC=CC=C1 SBB042552 [0,0,0,0,0,1|1,0,1]=3 245 B12R1.252 OC(=O)CCOC1=CC=CC=C1 SBB003895 [0,0,0,0,0,1|1,0,1]=3 246 B9R1.8 BrCCC1=CC=CC=C1 SBB059945 [2,0,0,0,0,0|1,0,0]=3 247 B9R1.8 BrCCC1=NC=CC=C1 SBB014931 [2,0,0,0,0,0|2,0,0]=4 248 B9R1.8 CCCC1=CC=CC=C1 SBB061210 [2,0,0,0,0,0|0,0,0]=2 249 B9R1.8 CCNC1=CC=CC=C1 SBB058818 [2,0,0,0,0,0|1,0,0]=3 250 B9R1.8 CNCC1=CC=CC=C1 SBB073015 [2,0,0,0,0,0|1,0,0]=3 251 B9R1.8 CNCC1=CC=CN=C1 SBB052430 [2,0,0,0,0,0|2,0,0]=4 252 B9R1.8 CNCC1=CC=NC=C1 SBB047816 [2,0,0,0,0,0|2,0,0]=4 253 B9R1.8 CNCC1=NC=CC=C1 SBB052457 [2,0,0,0,0,0|2,0,0]=4 254 B9R1.8 COCC1=CC=CC=C1 SBB063549 [2,0,0,0,0,0|1,0,0]=3 255 B9R1.8 ClCCC1=NC=CC=C1 SBB014886 [2,0,0,0,0,0|2,0,0]=4 256 B9R1.8 N#CCC1=CC=CC=C1 SBB058386 [2,0,0,0,0,0|1,0,1]=4 257 B9R1.8 NCCC1=CC=CC=C1 SBB058801 [2,0,0,0,0,0|1,0,0]=3 258 B9R1.8 NCCC1=CC=CN=C1 SBB028204 [2,0,0,0,0,0|2,0,0]=4 259 B9R1.8 NCCC1=CC=CN=C1 SBB052465 [2,0,0,0,0,0|2,0,0]=4 260 B9R1.8 NCCC1=CC=NC=C1 SBB014221 [2,0,0,0,0,0|2,0,0]=4 261 B9R1.8 NCCC1=NC=CC=C1 SBB028206 [2,0,0,0,0,0|2,0,0]=4 262 B9R1.8 NNCC1=CC=CC=C1 SBB063024 [2,0,0,0,0,0|2,0,0]=4 263 B9R1.8 NOCC1=CC=CC=C1 SBB003971 [2,0,0,0,0,0|2,0,0]=4 264 B9R1.8 NOCC1=CC=CC=C1 SBB032957 [2,0,0,0,0,0|2,0,0]=4 265 B9R1.8 O=CCC1=CC=CC=C1 SBB061710 [2,0,0,0,0,0|0,0,2]=4 266 B9R1.8 OCCC1=CC=CC=C1 SBB040879 [2,0,0,0,0,0|0,0,0]=2 267 B9R1.8 SCCC1=CC=NC=C1 SBB065275 [2,0,0,0,0,0|1,1,0]=4 268 B11R1.1 BrCCOC1=CC=C(Br)C=C1 SBB042543 [1,1,0,0,0,0|2,0,0]=4 269 B11R1.1 C=CCCC1=CC=C(F)C=C1 SBB008824 [1,1,0,0,0,0|0,0,2]=4 270 B11R1.1 CC1=CC=C(NCCO)C=C1 SBB010327 [1,1,0,0,0,0|1,0,0]=3 271 B11R1.1 CC1=CC=C(OCCBr)C=C1 SBB018129 [1,1,0,0,0,0|2,0,0]=4 272 B11R1.1 CC1=CC=C(OCCN)C=C1 SBB016458 [1,1,0,0,0,0|2,0,0]=4 273 B11R1.1 CC1=CC=C(SCCN)C=C1 SBB076443 [1,1,0,0,0,0|2,0,0]=4 274 B11R1.1 CCCCC1=CC=C(Cl)C=C1 SBB116909 [1,1,0,0,0,0|0,0,0]=2 275 B11R1.1 CCCCC1=CC=C(N)C=C1 SBB008298 [1,1,0,0,0,0|0,0,0]=2 276 B11R1.1 CCCCC1=CC=C(O)C=C1 SBB059153 [1,1,0,0,0,0|0,0,0]=2 277 B11R1.1 CCCCC1=CN=C(Cl)N=C1 SBB059368 [1,1,0,0,0,0|2,0,0]=4 278 B11R1.1 CCCOC1=CC=C(Br)C=C1 SBB059354 [1,1,0,0,0,0|1,0,0]=3 279 B11R1.1 CCCOC1=CC=C(N)C=C1 SBB008316 [1,1,0,0,0,0|1,0,0]=3 280 B11R1.1 CCCOC1=CC=C(O)C=C1 SBB059151 [1,1,0,0,0,0|1,0,0]=3 281 B11R1.1 CCNCC1=CC=C(Cl)C=C1 SBB080066 [1,1,0,0,0,0|1,0,0]=3 282 B11R1.1 ClC1=CC=C(OCCBr)C=C1 SBB040699 [1,1,0,0,0,0|2,0,0]=4 283 B11R1.1 FC1=CC=C(OCCBr)C=C1 SBB071709 [1,1,0,0,0,0|2,0,0]=4 284 B11R1.1 N#CCCC1=CC=C(O)C=C1 SBB055251 [1,1,0,0,0,0|1,0,1]=4 285 B11R1.1 NC1=CC=C(NCCO)C=C1 SBB006780 [1,1,0,0,0,0|1,0,0]=3 286 B11R1.1 NC1=CC=C(OCCO)C=C1 SBB024256 [1,1,0,0,0,0|1,0,0]=3 287 B11R1.1 NCCCC1=CC=C(Cl)C=C1 SBB010509 [1,1,0,0,0,0|1,0,0]=3 288 B11R1.1 NCCOC1=CC=C(Br)C=C1 SBB050336 [1,1,0,0,0,0|2,0,0]=4 289 B11R1.1 NCCOC1=CC=C(Cl)C=C1 SBB010531 [1,1,0,0,0,0|2,0,0]=4 290 B11R1.1 NCCOC1=CC=C(F)C=C1 SBB010365 [1,1,0,0,0,0|2,0,0]=4 291 B11R1.1 NCCOC1=CC=C(N)C=C1 SBB050309 [1,1,0,0,0,0|2,0,0]=4 292 B11R1.1 NCCSC1=CC=C(F)C=C1 SBB073189 [1,1,0,0,0,0|2,0,0]=4 293 B11R1.1 OC1=CC=C(OCCBr)C=C1 SBB051429 [1,1,0,0,0,0|2,0,0]=4 294 B11R1.1 OCCCC1=CC=C(Cl)C=C1 SBB055172 [1,1,0,0,0,0|0,0,0]=2 295 B11R1.1 OCCSC1=CC=C(Cl)C=C1 SBB090866 [1,1,0,0,0,0|1,0,0]=3 296 B11R1.1 OCCSC1=CC=C(Cl)C=N1 SBB054333 [1,1,0,0,0,0|2,0,0]=4 297 B11R1.16 CC(CCN)C1=CC=CC=C1 SBB085501 [1,1,0,0,0,0|1,0,0]=3 298 B11R1.16 CCCC(=O)C1=CC=CC=C1 SBB058761 [1,1,0,0,0,0|0,0,1]=3 299 B11R1.16 CCC[C@@H](N)C1=CC=CC=C1 SBB070021 [1,1,0,0,0,0|0,0,0]=2 300 B11R1.16 CCNC(=O)C1=CC=CC=C1 SBB058216 [1,1,0,0,0,0|1,0,1]=4 301 B11R1.16 CCOC(=O)C1=CC=CC=C1 SBB058595 [1,1,0,0,0,0|1,0,1]=4 302 B11R1.16 CN(CCN)C1=CC=CC=C1 SBB085429 [1,1,0,0,0,0|2,0,0]=4 303 B11R1.16 CN(CCO)C1=CC=CC=C1 SBB007818 [1,1,0,0,0,0|1,0,0]=3 304 B11R1.16 CN(CCO)C1=NC=CC=C1 SBB017928 [1,1,0,0,0,0|2,0,0]=4 305 B11R1.16 CNCC(C)C1=CC=CC=C1 SBB028094 [1,1,0,0,0,0|1,0,0]=3 306 B11R1.16 O=C(CCCl)C1=CC=CC=C1 SBB063710 [1,1,0,0,0,0|1,0,1]=4 307 B11R1.16 O=C(CCF)C1=CC=CC=C1 SBB063711 [1,1,0,0,0,0|1,0,1]=4 308 B11R1.16 O=C(SCO)C1=CC=CC=C1 SBB088192 [1,1,0,0,0,0|1,0,1]=4 309 B11R1.17 CC1=C(OCCN)C=CC=C1 SBB014044 [1,1,0,0,0,0|2,0,0]=4 310 B11R1.17 CC1=CC=CC=C1NCCO SBB007819 [1,1,0,0,0,0|1,0,0]=3 311 B11R1.17 CC1=CC=CC=C1OCCCl SBB300045 [1,1,0,0,0,0|2,0,0]=4 312 B11R1.17 CCCOC1=CC=CC=C1C SBB060850 [1,1,0,0,0,0|1,0,0]=3 313 B11R1.17 CCCOC1=CC=CC=C1N SBB027936 [1,1,0,0,0,0|1,0,0]=3 314 B11R1.17 FC1=CC=CC=C1OCCBr SBB011402 [1,1,0,0,0,0|2,0,0]=4 315 B11R1.17 NC1=CC=CC=C1OCCO SBB024257 [1,1,0,0,0,0|1,0,0]=3 316 B11R1.17 NCCCC1=CC=CC=C1Cl SBB010508 [1,1,0,0,0,0|1,0,0]=3 317 B11R1.17 NCCCN1C=CC=CC1=O SBB072557 [1,1,0,0,0,0|2,0,0]=4 318 B11R1.17 NCCOC1=CC=CC=C1Cl SBB017899 [1,1,0,0,0,0|2,0,0]=4 319 B11R1.17 NCCOC1=CC=CC=C1F SBB039943 [1,1,0,0,0,0|2,0,0]=4 320 B11R1.17 OCCOC1=C(O)C=CC=C1 SBB008523 [1,1,0,0,0,0|1,0,0]=3 321 B11R1.24 CC1=CC(OCCBr)=CC=C1 SBB018128 [1,1,0,0,0,0|2,0,0]=4 322 B11R1.24 CC1=CC=CC(CCCO)=N1 SBB047991 [1,1,0,0,0,0|1,0,0]=3 323 B11R1.24 CC1=CC=CC(OCCN)=C1 SBB014043 [1,1,0,0,0,0|2,0,0]=4 324 B11R1.24 CCCNC1=CC(C)=CC=C1 SBB048620 [1,1,0,0,0,0|1,0,0]=3 325 B11R1.24 CCCOC1=CC(N)=CC=C1 SBB080014 [1,1,0,0,0,0|1,0,0]=3 326 B11R1.24 N#CCCC1=CC(Br)=CC=C1 SBB058929 [1,1,0,0,0,0|1,0,1]=4 327 B11R1.24 NC1=CC(OCCO)=CC=C1 SBB085153 [1,1,0,0,0,0|1,0,0]=3 328 B11R1.24 NCCOC1=CC(Br)=CC=C1 SBB072545 [1,1,0,0,0,0|2,0,0]=4 329 B11R1.24 NCCOC1=CC(Cl)=CC=C1 SBB050335 [1,1,0,0,0,0|2,0,0]=4 330 B11R1.24 NCCOC1=CC=CC(F)=C1 SBB027281 [1,1,0,0,0,0|2,0,0]=4 331 B11R1.28 C#CCNCC1=CC=CC=C1 SBB300092 [1,1,0,0,0,0|0,0,2]=4 332 B11R1.28 CC#CCNC1=CC=CC=C1 SBB010305 [1,1,0,0,0,0|0,0,2]=4 333 B11R1.28 CCCCCC1=CC=CC=C1 SBB057141 [1,1,0,0,0,0|0,0,0]=2 334 B11R1.28 CCCCNC1=CC=CC=C1 SBB058812 [1,1,0,0,0,0|0,0,0]=2 335 B11R1.28 CCCCOC1=CC=CC=C1 SBB060061 [1,1,0,0,0,0|0,0,0]=2 336 B11R1.28 CCCNCC1=CC=CC=C1 SBB080024 [1,1,0,0,0,0|0,0,0]=2 337 B11R1.28 CCCOCC1=CC=CC=C1 SBB061197 [1,1,0,0,0,0|0,0,0]=2 338 B11R1.28 CCC\C=N\C1=CC=CC=C1 SBB055434 [1,1,0,0,0,0|0,0,1]=3 339 B11R1.28 CCO\C=N\C1=CC=CC=C1 SBB059636 [1,1,0,0,0,0|1,0,1]=4 340 B11R1.28 CNCCOC1=CC=CC=C1 SBB027283 [1,1,0,0,0,0|1,0,0]=3 341 B11R1.28 COCCSC1=CC=CC=C1 SBB116878 [1,1,0,0,0,0|1,0,0]=3 342 B11R1.28 ClCCCOC1=CC=CC=C1 SBB300461 [1,1,0,0,0,0|1,0,0]=3 343 B11R1.28 ClCCNCC1=CC=CC=C1 SBB052393 [1,1,0,0,0,0|1,0,0]=3 344 B11R1.28 N#CCCCC1=NC=CC=C1 SBB018559 [1,1,0,0,0,0|1,0,1]=4 345 B11R1.28 N#CCCNC1=CC=CC=C1 SBB004106 [1,1,0,0,0,0|1,0,1]=4 346 B11R1.28 NCCCCC1=NC=CC=C1 SBB018864 [1,1,0,0,0,0|1,0,0]=3 347 B11R1.28 NCCCOC1=CC=CC=C1 SBB043657 [1,1,0,0,0,0|1,0,0]=3 348 B11R1.28 NCCCSC1=CC=CC=C1 SBB071863 [1,1,0,0,0,0|1,0,0]=3 349 B11R1.28 NCCNCC1=CC=CC=C1 SBB028295 [1,1,0,0,0,0|1,0,0]=3 350 B11R1.28 NCCOCC1=CC=CC=C1 SBB050278 [1,1,0,0,0,0|1,0,0]=3 351 B11R1.28 NCCOCC1=CC=CC=C1 SBB055150 [1,1,0,0,0,0|1,0,0]=3 352 B11R1.28 NCCSCC1=CC=CC=C1 SBB003512 [1,1,0,0,0,0|1,0,0]=3 353 B11R1.28 O=C=NCCC1=CC=CC=C1 SBB048864 [1,1,0,0,0,0|0,0,2]=4 354 B11R1.28 OCCNCC1=CC=CC=C1 SBB004062 [1,1,0,0,0,0|0,0,0]=2 355 B11R1.28 OCCNCC1=CC=CN=C1 SBB010335 [1,1,0,0,0,0|1,0,0]=3 356 B11R1.28 OCCNCC1=NC=CC=C1 SBB110041 [1,1,0,0,0,0|1,0,0]=3 357 B11R1.28 OCCOCC1=CC=CC=C1 SBB063066 [1,1,0,0,0,0|0,0,0]=2 358 B11R1.28 OCCSCC1=CC=CC=C1 SBB058901 [1,1,0,0,0,0|0,0,0]=2 359 B11R1.28 S=C=NCCC1=CC=CC=C1 SBB002732 [1,1,0,0,0,0|0,1,1]=4 360 B11R1.40 CC(CN)OC1=CC=CC=C1 SBB028307 [1,1,0,0,0,0|2,0,0]=4 361 B11R1.40 CCC(=O)CC1=CC=CC=C1 SBB060892 [1,1,0,0,0,0|0,0,1]=3 362 B11R1.40 CNC(C)CC1=CC=CC=N1 SBB025630 [1,1,0,0,0,0|2,0,0]=4 363 B11R1.40 N\C(CC1=CC=CC=C1)=N/O SBB055188 [1,1,0,0,0,0|1,0,1]=4 364 B11R1.40 O=C(CC1=CC=CC=C1)NO SBB086771 [1,1,0,0,0,0|1,0,1]=4 365 B11R1.20 CC(=O)CC1=CC=C(Br)C=C1 SBB058424 [0,1,0,0,1,0|0,0,2]=4 366 B11R1.20 CC(=O)CC1=CC=C(F)C=C1 SBB086853 [0,1,0,0,1,0|0,0,2]=4 367 B11R1.20 CC(C)OC1=CC=C(Br)C=C1 SBB047818 [0,1,0,0,1,0|2,0,0]=4 368 B11R1.20 CC(C)OC1=CC=C(N)C=C1 SBB010330 [0,1,0,0,1,0|2,0,0]=4 369 B11R1.20 CC(N)CC1=CC=C(Cl)C=C1 SBB000454 [0,1,0,0,1,0|1,0,0]=3 370 B11R1.20 CC(N)CC1=CC=C(F)C=C1 SBB052387 [0,1,0,0,1,0|1,0,0]=3 371 B11R1.20 CC1=CC=C(CC(=O)O)C=C1 SBB063734 [0,1,0,0,1,0|1,0,1]=4 372 B11R1.20 CN(C)CC1=CC=C(Br)C=C1 SBB109890 [0,1,0,0,1,0|2,0,0]=4 373 B11R1.20 NC1=CC=C(CC(=O)O)C=C1 SBB028301 [0,1,0,0,1,0|1,0,1]=4 374 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 SBB042842 [0,1,0,0,1,0|1,0,1]=4 375 B11R1.20 O=C(O)CC1=CC=C(Cl)C=C1 SBB008374 [0,1,0,0,1,0|1,0,1]=4 376 B11R1.20 O=C(O)CC1=CC=C(F)C=C1 SBB052671 [0,1,0,0,1,0|1,0,1]=4 377 B11R1.20 O=C(O)CC1=CC=C(I)C=C1 SBB052672 [0,1,0,0,1,0|1,0,1]=4 378 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 SBB059600 [0,1,0,0,1,0|1,0,1]=4 379 B11R1.36 CC(=O)C(N)C1=CC=CC=C1 SBB055478 [0,1,0,0,1,0|0,0,2]=4 380 B11R1.36 CC(Br)C(=O)C1=CC=CC=C1 SBB058576 [0,1,0,0,1,0|1,0,1]=4 381 B11R1.36 CC(C(=O)O)C1=CC=CC=C1 SBB007855 [0,1,0,0,1,0|1,0,1]=4 382 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 SBB056598 [0,1,0,0,1,0|1,0,1]=4 383 B11R1.36 O=C(O)C(Br)C1=CC=CC=C1 SBB007654 [0,1,0,0,1,0|1,0,1]=4 384 B11R1.36 O=C(O)C(F)C1=CC=CC=C1 SBB086979 [0,1,0,0,1,0|1,0,1]=4 385 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 SBB007730 [0,1,0,0,1,0|1,0,1]=4 386 B11R1.36 O=C(O)C(S)C1=CC=CC=C1 SBB017395 [0,1,0,0,1,0|1,0,1]=4 387 B11R1.86 CC(=O)CC1=CC=CC=C1Cl SBB054187 [0,1,0,0,1,0|0,0,2]=4 388 B11R1.86 CC(=O)CC1=CC=CC=C1F SBB086844 [0,1,0,0,1,0|0,0,2]=4 389 B11R1.86 CC(C)OC1=CC=CC=C1N SBB010329 [0,1,0,0,1,0|2,0,0]=4 390 B11R1.86 CC1=CC=CC=C1CC(=O)O SBB063148 [0,1,0,0,1,0|1,0,1]=4 391 B11R1.86 CC1=CC=CC=C1OC(C)C SBB079028 [0,1,0,0,1,0|2,0,0]=4 392 B11R1.86 CN(C)CC1=C(Br)C=CC=C1 SBB109891 [0,1,0,0,1,0|2,0,0]=4 393 B11R1.86 CN(C)CC1=C(O)C=CC=C1 SBB080144 [0,1,0,0,1,0|2,0,0]=4 394 B11R1.86 CN(C)CC1=C(O)C=CC=C1 SBB111386 [0,1,0,0,1,0|2,0,0]=4 395 B11R1.86 O=C(O)CC1=C(Br)C=CC=C1 SBB006626 [0,1,0,0,1,0|1,0,1]=4 396 B11R1.86 O=C(O)CC1=C(Cl)C=CC=C1 SBB057750 [0,1,0,0,1,0|1,0,1]=4 397 B11R1.86 O=C(O)CC1=C(F)C=CC=C1 SBB057963 [0,1,0,0,1,0|1,0,1]=4 398 B11R1.86 O=C(O)CC1=C(O)C=CC=C1 SBB057742 [0,1,0,0,1,0|1,0,1]=4 399 B11R1.86 O=C(O)CC1=CC=CC=C1I SBB063206 [0,1,0,0,1,0|1,0,1]=4 400 B11R1.157 CC(=O)CC1=CC=CC(F)=C1 SBB086850 [0,1,0,0,1,0|0,0,2]=4 401 B11R1.157 CC(C)OC1=CC=CC(N)=C1 SBB010221 [0,1,0,0,1,0|2,0,0]=4 402 B11R1.157 CC1=CC=CC(CC(=O)O)=C1 SBB068547 [0,1,0,0,1,0|1,0,1]=4 403 B11R1.157 CC1=NC(CC(C)O)=CC=C1 SBB025634 [0,1,0,0,1,0|1,0,0]=3 404 B11R1.157 CN(C)CC1=CC(Br)=CC=C1 SBB109591 [0,1,0,0,1,0|2,0,0]=4 405 B11R1.157 NC1=CC(CC(=O)O)=CC=C1 SBB068772 [0,1,0,0,1,0|1,0,1]=4 406 B11R1.157 O=C(O)CC1=CC(Br)=CC=C1 SBB037935 [0,1,0,0,1,0|1,0,1]=4 407 B11R1.157 O=C(O)CC1=CC=CC(Cl)=C1 SBB063159 [0,1,0,0,1,0|1,0,1]=4 408 B11R1.157 O=C(O)CC1=CC=CC(F)=C1 SBB063367 [0,1,0,0,1,0|1,0,1]=4 409 B11R1.157 O=C(O)CC1=CC=CC(I)=C1 SBB064349 [0,1,0,0,1,0|1,0,1]=4 410 B11R1.157 O=C(O)CC1=CC=CC(O)=C1 SBB063147 [0,1,0,0,1,0|1,0,1]=4 411 B11R1.509 CC(C)(O)CC1=CC=CC=C1 SBB071444 [0,1,0,0,1,0|0,0,0]=2 412 B11R1.509 CS(=O)(=O)CC1=CC=CC=C1 SBB059072 [0,1,0,0,1,0|1,0,1]=4 413 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 SBB055074 [0,1,0,0,1,0|2,0,0]=4 414 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 SBB059062 [0,1,0,0,1,0|2,0,0]=4 415 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 SBB060274 [0,1,0,0,1,0|2,0,0]=4 416 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 SBB060930 [0,1,0,0,1,0|2,0,0]=4 417 B11R1.509 O=P(O)(O)CC1=CC=CC=C1 SBB057481 [0,1,0,0,1,0|2,0,0]=4 418 B11R1.25 CNC(C)CCC1=CC=CO1 SBB007121 [0,1,0,0,1,0|2,0,0]=4 419 B13R1.45 CC(=O)CCC(=O)C1=CC=CC=C1 SBB071424 [0,1,0,0,0,1|0,0,2]=4 420 B13R1.45 CC(C)NCC(O)C1=CC=CC=C1 SBB089573 [0,1,0,0,0,1|1,0,0]=3 421 B13R1.45 CC(NCC(F)F)C1=CC=CC=C1 SBB046663 [0,1,0,0,0,1|2,0,0]=4 422 B13R1.45 CN(C)CCC(=O)C1=CC=CC=C1 SBB068823 [0,1,0,0,0,1|2,0,0]=4 423 B13R1.45 CN(C)CCC(N)C1=CC=CC=C1 SBB025723 [0,1,0,0,0,1|2,0,0]=4 424 B13R1.45 O=C(O)CCC(=O)C1=CC=CC=C1 SBB057733 [0,1,0,0,0,1|1,0,1]=4 425 B13R1.45 O=C(O)CCC(O)C1=CC=CC=C1 SBB010649 [0,1,0,0,0,1|1,0,1]=4 426 B13R1.45 [NH+](C)(C)CCC(=O)C1=CC=CC=C1 SBB057905 [0,1,0,0,0,1|2,0,0]=4 427 B13R1.149 O=C(O)CCOC1=CC(F)=CC=C1 SBB085423 [0,1,0,0,0,1|1,0,1]=4 428 B13R1.158 CC(O)CNCC1=C(F)C=CC=C1 SBB010700 [0,1,0,0,0,1|0,0,0]=2 429 B13R1.158 CC1=CC=CC=C1OCCC(=O)O SBB085282 [0,1,0,0,0,1|1,0,1]=4 430 B13R1.158 CN(C)CCOC1=C(N)C=CC=C1 SBB089707 [0,1,0,0,0,1|2,0,0]=4 431 B13R1.158 O=C(O)CCOC1=CC=CC=C1F SBB027408 [0,1,0,0,0,1|1,0,1]=4 432 B13R1.351 C[C@H](N)C(=O)OCC1=CC=CC=C1 SBB064265 [0,1,0,0,0,1|1,0,1]=4 433 B13R1.351 N[C@@H](CCC1=CC=CC=C1)C(=O)O SBB063155 [0,1,0,0,0,1|1,0,1]=4 434 B13R1.351 N[C@@H](CSC1=CC=CC=C1)C(=O)O SBB066411 [0,1,0,0,0,1|1,0,1]=4 435 B13R1.351 O=C(O)[C@@H](O)CCC1=CC=CC=C1 SBB065026 [0,1,0,0,0,1|1,0,1]=4 436 B13R1.513 CC1=CC=C(SCCC(=O)O)C=C1 SBB103625 [0,1,0,0,0,1|1,0,1]=4 437 B13R1.513 CN(C)CCOC1=CC=C(N)C=C1 SBB010662 [0,1,0,0,0,1|2,0,0]=4 438 B13R1.513 NC1=CC=C(CCCC(=O)O)C=C1 SBB069098 [0,1,0,0,0,1|1,0,1]=4 439 B13R1.513 O=C(O)CCCC1=CC=C(Br)C=C1 SBB099678 [0,1,0,0,0,1|1,0,1]=4 440 B13R1.513 O=C(O)CCCC1=CC=C(F)C=C1 SBB010216 [0,1,0,0,0,1|1,0,1]=4 441 B13R1.513 O=C(O)CCCC1=CC=C(F)C=C1 SBB010232 [0,1,0,0,0,1|1,0,1]=4 442 B13R1.513 O=C(O)CCCC1=CC=C(O)C=C1 SBB052746 [0,1,0,0,0,1|1,0,1]=4 443 B13R1.513 O=C(O)CCOC1=CC=C(Cl)C=C1 SBB008249 [0,1,0,0,0,1|1,0,1]=4 444 B13R1.513 O=C(O)CSCC1=CC=C(Cl)C=C1 SBB049904 [0,1,0,0,0,1|1,0,1]=4 445 B13R1.513 O=C(O)CSCC1=CC=C(F)C=C1 SBB047481 [0,1,0,0,0,1|1,0,1]=4 446 B13R1.718 CCC(O)CC#CC1=CC=CC=C1 SBB008961 [0,1,0,0,0,1|0,0,1]=3 447 B13R1.718 COC(=O)CCCC1=CC=CC=C1 SBB007854 [0,1,0,0,0,1|0,0,2]=4 448 B13R1.718 NCC(O)COCC1=CC=CC=C1 SBB010672 [0,1,0,0,0,1|0,0,0]=2 449 B13R1.718 O=C(CBr)NCCC1=CC=CC=C1 SBB080036 [0,1,0,0,0,1|0,0,2]=4 450 B13R1.718 O=C(CCl)NCCC1=CC=CC=C1 SBB001602 [0,1,0,0,0,1|0,0,2]=4 451 B13R1.718 OC(CCl)COCC1=CC=CC=C1 SBB056727 [0,1,0,0,0,1|0,0,0]=2 452 B13R1.718 OCC(O)COCC1=CC=CC=C1 SBB058667 [0,1,0,0,0,1|0,0,0]=2 453 B13R1.3523 FC(F)(F)CNCC1=CC=CC=C1 SBB076819 [0,1,0,0,0,1|2,0,0]=4 454 B13R1.3 CC(C)COC1=CC=C(C=O)C=C1 SBB019518 [0,2,0,0,0,0|2,0,0]=4 455 B13R1.3 CC(C)CSC1=CC=C(C=O)C=C1 SBB022490 [0,2,0,0,0,0|2,0,0]=4 456 B13R1.3 CCC1=CC=C(CCC(=O)O)C=C1 SBB017700 [0,2,0,0,0,0|1,0,1]=4 457 B13R1.3 COC1=CC=C(CCC(C)=O)C=C1 SBB002546 [0,2,0,0,0,0|0,0,2]=4 458 B13R1.3 COC1=CC=C(CCC(C)N)C=C1 SBB010641 [0,2,0,0,0,0|1,0,0]=3 459 B13R1.3 COC1=CC=C(OCC(C)N)C=C1 SBB010677 [0,2,0,0,0,0|2,0,0]=4 460 B13R1.3 OC(=O)CCC1=CC=C(OC)C=C1 SBB003748 [0,2,0,0,0,0|1,0,1]=4 461 B13R1.14 CC1=CC=C(OCC(O)CN)C=C1 SBB010670 [0,2,0,0,0,0|1,0,0]=3 462 B13R1.14 CCC(C)NCC1=CC=C(C)C=C1 SBB080104 [0,2,0,0,0,0|2,0,0]=4 463 B13R1.14 CNC(=O)CCC1=CC=C(N)C=C1 SBB080480 [0,2,0,0,0,0|0,0,2]=4 464 B13R1.14 COC(=O)CCC1=CC=C(Cl)C=C1 SBB014252 [0,2,0,0,0,0|0,0,2]=4 465 B13R1.14 COC(=O)CCC1=CC=C(O)C=C1 SBB071434 [0,2,0,0,0,0|0,0,2]=4 466 B13R1.14 NCC(O)COC1=CC=C(Cl)C=C1 SBB011018 [0,2,0,0,0,0|1,0,0]=3 467 B13R1.14 OCC(O)COC1=CC=C(Cl)C=C1 SBB015061 [0,2,0,0,0,0|1,0,0]=3 468 B13R1.132 NC(CC(=O)O)C1=CC=C(Br)C=C1 SBB000836 [0,2,0,0,0,0|1,0,1]=4 469 B13R1.132 NC(CC(=O)O)C1=CC=C(Cl)C=C1 SBB001785 [0,2,0,0,0,0|1,0,1]=4 470 B13R1.132 NC(CC(=O)O)C1=CC=C(F)C=C1 SBB003727 [0,2,0,0,0,0|1,0,1]=4 471 B13R1.132 NC(CC(=O)O)C1=CC=C(O)C=C1 SBB017166 [0,2,0,0,0,0|1,0,1]=4 472 B13R1.133 CC1=CC=C(C[C@H](N)C(=O)O)C=C1 SBB064583 [0,2,0,0,0,0|1,0,1]=4 473 B13R1.133 NC(CC1=CC=C(Cl)C=C1)C(=O)O SBB003551 [0,2,0,0,0,0|1,0,1]=4 474 B13R1.133 NC(CC1=CC=C(I)C=C1)C(=O)O SBB063701 [0,2,0,0,0,0|1,0,1]=4 475 B13R1.133 NC1=CC=C(C[C@@H](N)C(=O)O)C=C1 SBB064108 [0,2,0,0,0,0|1,0,1]=4 476 B13R1.133 N[C@@H](CC1=CC=C(Br)C=C1)C(=O)O SBB063696 [0,2,0,0,0,0|1,0,1]=4 477 B13R1.133 N[C@@H](CC1=CC=C(F)C=C1)C(=O)O SBB063698 [0,2,0,0,0,0|1,0,1]=4 478 B13R1.133 N[C@H](CC1=CC=C(O)C=C1)C(=O)O SBB012381 [0,2,0,0,0,0|1,0,1]=4 479 B13R1.133 [C@@H](N)(CC1=CC=C(F)C=C1)C(=O)O SBB003361 [0,2,0,0,0,0|1,0,1]=4 480 B13R1.164 CC1=C(CCC(=O)O)C=CC(F)=C1 SBB089895 [0,2,0,0,0,0|1,0,1]=4 481 B13R1.164 CC1=CC(F)=C(CCC(=O)O)C=C1 SBB089903 [0,2,0,0,0,0|1,0,1]=4 482 B13R1.164 O=C(O)CCC1=CC=C(Cl)C=C1Cl SBB052720 [0,2,0,0,0,0|1,0,1]=4 483 B13R1.511 CC1=C(C)C=C(OCC(C)N)C=C1 SBB302881 [0,2,0,0,0,0|2,0,0]=4 484 B13R1.511 CC1=CC(CCC(=O)O)=CC=C1F SBB089896 [0,2,0,0,0,0|1,0,1]=4 485 B13R1.511 CC1=CC=C(CCC(=O)O)C=C1C SBB067745 [0,2,0,0,0,0|1,0,1]=4 486 B13R1.511 CC1=CC=C(CCC(=O)O)C=C1F SBB089902 [0,2,0,0,0,0|1,0,1]=4 487 B13R1.511 CC1=CC=C(CCC(=O)O)C=C1N SBB072079 [0,2,0,0,0,0|1,0,1]=4 488 B13R1.511 O=C(O)CCC1=CC(Cl)=C(F)C=C1 SBB084097 [0,2,0,0,0,0|1,0,1]=4 489 B13R1.511 O=C(O)CCC1=CC=C(Cl)C(F)=C1 SBB093011 [0,2,0,0,0,0|1,0,1]=4 490 B13R1.511 O=C(O)CCC1=CC=C(F)C(F)=C1 SBB068268 [0,2,0,0,0,0|1,0,1]=4 491 B13R1.511 O=C(O)CCC1=CC=C(O)C(O)=C1 SBB068270 [0,2,0,0,0,0|1,0,1]=4 492 B13R1.512 CC(C)(O)C#CC1=CC=C(N)C=C1 SBB010577 [0,2,0,0,0,0|0,0,2]=4 493 B13R1.15 CC1=CC=CC(OCC(O)CN)=C1 SBB010668 [0,2,0,0,0,0|1,0,0]=3 494 B13R1.15 CNC(=O)CCC1=CC(N)=CC=C1 SBB079913 [0,2,0,0,0,0|0,0,2]=4 495 B13R1.42 CCCC(O)C#CC1=CC=CC=C1 SBB008960 [0,2,0,0,0,0|0,0,2]=4 496 B13R1.42 CCNC(=O)CCC1=CC=CC=C1 SBB080052 [0,2,0,0,0,0|0,0,2]=4 497 B13R1.42 CNCC(O)COC1=CC=CC=C1 SBB045229 [0,2,0,0,0,0|1,0,0]=3 498 B13R1.42 COCC(O)CNC1=CC=CC=C1 SBB010676 [0,2,0,0,0,0|1,0,0]=3 499 B13R1.135 COC(=O)[C@@H](N)CC1=CC=CC=C1 SBB028101 [0,2,0,0,0,0|0,0,2]=4 500 B13R1.254 C#CC(C)(O)CCC1=CC=CC=C1 SBB002549 [0,2,0,0,0,0|0,0,0]=2 501 B13R1.417 N(CC1=CC=CC=C1)[C@H](CC)CO SBB040057 [0,2,0,0,0,0|1,0,0]=3 502 B13R1.528 CC1=CC=CC=C1OCC(O)CO SBB056988 [0,2,0,0,0,0|1,0,0]=3 503 B13R1.528 CCC(C)NCC1=C(C)C=CC=C1 SBB080106 [0,2,0,0,0,0|2,0,0]=4 504 B13R1.528 CCC(C)NCC1=C(Cl)C=CC=C1 SBB080109 [0,2,0,0,0,0|2,0,0]=4 505 B13R1.528 CNC(=O)CCC1=C(N)C=CC=C1 SBB080459 [0,2,0,0,0,0|0,0,2]=4 506 B13R1.148 NC(CC1=CC=CC(O)=C1)C(=O)O SBB065775 [0,2,0,0,0,0|1,0,1]=4 507 B13R1.148 N[C@@H](CC1=CC=CC(Br)=C1)C(=O)O SBB064594 [0,2,0,0,0,0|1,0,1]=4 508 B13R1.148 N[C@@H](CC1=CC=CC(Cl)=C1)C(=O)O SBB064574 [0,2,0,0,0,0|1,0,1]=4 509 B13R1.148 N[C@H](CC1=CC=CC(F)=C1)C(=O)O SBB063823 [0,2,0,0,0,0|1,0,1]=4 510 B13R1.152 NC(C(=O)O)C(O)C1=CC=CC=C1 SBB000225 [0,2,0,0,0,0|1,0,1]=4 511 B13R1.152 NC(C(=O)O)C(O)C1=CC=CC=C1 SBB057623 [0,2,0,0,0,0|1,0,1]=4 512 B13R1.152 O=C(O)C(Br)C(Br)C1=CC=CC=C1 SBB007805 [0,2,0,0,0,0|1,0,1]=4 513 B13R1.202 CC(CC1=C(Cl)C=CC=C1)C(=O)O SBB302222 [0,2,0,0,0,0|1,0,1]=4 514 B13R1.202 N[C@@H](CC1=CC=CC=C1Br)C(=O)O SBB063699 [0,2,0,0,0,0|1,0,1]=4 515 B13R1.202 N[C@@H](CC1=CC=CC=C1Cl)C(=O)O SBB003552 [0,2,0,0,0,0|1,0,1]=4 516 B13R1.202 N[C@@H](CC1=CC=CC=C1F)C(=O)O SBB063927 [0,2,0,0,0,0|1,0,1]=4 517 B13R1.418 CN(C)C(CN)CC1=CC=CC=C1 SBB302163 [0,2,0,0,0,0|2,0,0]=4 518 B13R1.1073 C[C@](N)(CC1=CC=CC=C1)C(=O)O SBB006742 [0,2,0,0,0,0|1,0,1]=4 519 B13R1.147 NC(CC(=O)O)C1=CC(Cl)=CC=C1 SBB002511 [0,2,0,0,0,0|1,0,1]=4 520 B13R1.147 NC(CC(=O)O)C1=CC(O)=CC=C1 SBB013152 [0,2,0,0,0,0|1,0,1]=4 521 B13R1.147 NC(CC(=O)O)C1=CC=CC(Br)=C1 SBB099794 [0,2,0,0,0,0|1,0,1]=4 522 B13R1.147 NC(CC(=O)O)C1=CC=CC(F)=C1 SBB048872 [0,2,0,0,0,0|1,0,1]=4 523 B13R1.201 CC1=C(C(N)CC(=O)O)C=CC=C1 SBB048873 [0,2,0,0,0,0|1,0,1]=4 524 B13R1.201 NC(CC(=O)O)C1=CC=CC=C1Br SBB099793 [0,2,0,0,0,0|1,0,1]=4 525 B13R1.201 NC(CC(=O)O)C1=CC=CC=C1Cl SBB042795 [0,2,0,0,0,0|1,0,1]=4 526 B13R1.201 NC(CC(=O)O)C1=CC=CC=C1F SBB090035 [0,2,0,0,0,0|1,0,1]=4 527 B13R1.352 CC(C)(C)CC(N)C1=CC=CN=C1 SBB051589 [0,2,0,0,0,0|2,0,0]=4 528 B13R1.713 NCC(CC(=O)O)C1=CC=CC=C1 SBB001567 [0,2,0,0,0,0|1,0,1]=4 529 B13R1.713 NCC(CC(=O)O)C1=CC=CC=C1 SBB063537 [0,2,0,0,0,0|1,0,1]=4 530 B13R1.90 CC(C)COC1=CC=CC=C1C=O SBB009331 [0,2,0,0,0,0|2,0,0]=4 531 B13R1.90 OC(=O)CCC1=C(OC)C=CC=C1 SBB003749 [0,2,0,0,0,0|1,0,1]=4 532 B13R1.150 CC1=C(CCC(=O)O)C=CC=C1F SBB089904 [0,2,0,0,0,0|1,0,1]=4 533 B13R1.893 CC1=C(CCC(=O)O)C=C(F)C=C1 SBB089897 [0,2,0,0,0,0|1,0,1]=4 534 B13R1.893 CC1=CC(CCC(=O)O)=C(F)C=C1 SBB089900 [0,2,0,0,0,0|1,0,1]=4 535 B13R1.3787 CC1=CC=CC(C)=C1OCC(C)N SBB003392 [0,2,0,0,0,0|2,0,0]=4 536 B13R1.643 CC(C)COC1=CC=CC(C=O)=C1 SBB017365 [0,2,0,0,0,0|2,0,0]=4 537 B13R1.643 COC1=CC=CC(CCC(=O)O)=C1 SBB048046 [0,2,0,0,0,0|1,0,1]=4 538 B13R1.838 CC(C)(N)CNC1=CC=CC(Cl)=C1 SBB014099 [0,2,0,0,0,0|2,0,0]=4 539 B13R1.3420 CC1=CC(C)=CC(OCC(C)N)=C1 SBB027573 [0,2,0,0,0,0|2,0,0]=4 540 B13R1.3420 CC1=CC(F)=CC(CCC(=O)O)=C1 SBB089901 [0,2,0,0,0,0|1,0,1]=4 541 B13R1.3420 O=C(O)CCC1=CC(Cl)=CC(Cl)=C1 SBB095709 [0,2,0,0,0,0|1,0,1]=4 542 B13R1.3420 O=C(O)CCC1=CC(F)=CC(F)=C1 SBB090378 [0,2,0,0,0,0|1,0,1]=4 543 B11R2.1 CC1CCC2=NC=CN=C21 SBB057575 [1,0,0,1,0,0|2,0,0]=4 544 B11R2.1 NC1CCC2=C1C=CC=C2 SBB004212 [1,0,0,1,0,0|1,0,0]=3 545 B11R2.1 O=C1CCC2=CC=CC=C12 SBB056339 [1,0,0,1,0,0|0,0,2]=4 546 B11R2.1 OC1CCC2=C1C=CC=N2 SBB056373 [1,0,0,1,0,0|1,0,0]=3 547 B11R2.20 C1=CC2=C(C=C1)CCCC2 SBB060619 [1,0,0,1,0,0|0,0,0]=2 548 B11R2.20 C1=CC2=C(C=C1)CNCC2 SBB027303 [1,0,0,1,0,0|1,0,0]=3 549 B11R2.20 C1=CC2=C(C=C1)SCCN2 SBB010332 [1,0,0,1,0,0|1,1,0]=4 550 B11R2.20 C1=CC=C2NCCCC2=C1 SBB040463 [1,0,0,1,0,0|1,0,0]=3 551 B11R2.20 C1=CC=C2OCCNC2=C1 SBB039942 [1,0,0,1,0,0|1,0,0]=3 552 B11R2.988 N#CC1CC2=CC=CC=C21 SBB056297 [1,0,0,1,0,0|1,0,1]=4 553 B11R2.10 CC1=NC2=CC=CC=C2O1 SBB108741 [0,0,0,1,1,0|1,0,1]=4 554 B11R2.10 CC1CC2=C(C=CC=C2)N1 SBB058847 [0,0,0,1,1,0|1,0,0]=3 555 B11R2.10 NC1CC2=C(C=CC=C2)C1 SBB003858 [0,0,0,1,1,0|1,0,0]=3 556 B11R2.10 NC1CC2=CC=CC=C2C1 SBB052059 [0,0,0,1,1,0|1,0,0]=3 557 B11R2.10 OC1CC2=C(C=CC=C2)C1 SBB061554 [0,0,0,1,1,0|0,0,0]=2 558 B13R2.10 CC1COC(C2=CC=CC=C2)O1 SBB060969 [0,0,0,1,0,1|0,0,0]=2 559 B13R2.423 OC(=O)C1CC1C2=CC=CC=C2 SBB003944 [0,0,0,1,0,1|1,0,1]=4 560 B13R2.2382 C1=CC(CCNC2CC2)=CC=N1 SBB302907 [0,0,0,1,0,1|2,0,0]=4 561 B13R2.2382 C1=CC=C(CNCC2CC2)C=C1 SBB010434 [0,0,0,1,0,1|1,0,0]=3 562 B13R2.2382 C1=CC=C(COCC2CO2)C=C1 SBB060420 [0,0,0,1,0,1|0,0,0]=2 563 B13R2.527 NC1=CC=C(OCC2CC2)C=C1 SBB024385 [0,1,0,1,0,0|2,0,0]=4 564 B13R2.32 CC1CCC2=CC=CC=C2C1=O SBB067641 [0,1,0,1,0,0|0,0,1]=3 565 B13R2.57 BrCC1CCC2=CC=CC=C2O1 SBB054977 [0,1,0,1,0,0|0,0,0]=2 566 B13R2.57 BrCC1COC2=C(C=CC=C2)O1 SBB003290 [0,1,0,1,0,0|1,0,0]=3 567 B13R2.57 ClCC1COC2=CC=CC=C2O1 SBB010127 [0,1,0,1,0,0|1,0,0]=3 568 B13R2.57 NCC1CNC2=CC=CC=C2O1 SBB052496 [0,1,0,1,0,0|1,0,0]=3 569 B13R2.57 NCC1COC2=CC=CC=C2O1 SBB006958 [0,1,0,1,0,0|1,0,0]=3 570 B13R2.57 OCC1COC2=C(C=CC=C2)O1 SBB003893 [0,1,0,1,0,0|1,0,0]=3 571 B13R2.57 OC[C@@H]1CC2=CC=CC=C2CN1 SBB003923 [0,1,0,1,0,0|1,0,0]=3 572 B13R2.435 CC(O)C1=NC2=CC=CC=C2N1 SBB009930 [0,1,0,1,0,0|1,0,1]=4 573 B13R2.435 O=C(O)C1CC2=C(C=CC=C2)C1 SBB003945 [0,1,0,1,0,0|1,0,1]=4 574 B13R2.435 O=C(O)C1CC2=C(C=CC=C2)N1 SBB028477 [0,1,0,1,0,0|1,0,1]=4 575 B13R2.435 O=C(O)C1CC2=CC=CC=C2O1 SBB042729 [0,1,0,1,0,0|1,0,1]=4 576 B13R2.222 CC1(C)CCC2=C(C=CC=C2)O1 SBB087638 [0,1,0,1,0,0|0,0,0]=2 577 B13R2.3587 FC1=C(CNC2CC2)C=CC=C1 SBB085355 [0,1,0,1,0,0|2,0,0]=4 578 B13R2.3587 OC1=C(CNC2CC2)C=CC=C1 SBB025290 [0,1,0,1,0,0|2,0,0]=4 579 B13R2.3683 CC1CCC2=CC(F)=CC=C2N1 SBB054591 [0,1,0,1,0,0|1,0,0]=3 580 B13R2.3683 CC1CNC2=CC(Cl)=CC=C2O1 SBB048743 [0,1,0,1,0,0|1,0,0]=3 581 B13R2.3683 O=C1CCC2=CC(O)=CC=C2C1 SBB056305 [0,1,0,1,0,0|0,0,2]=4 582 B13R2.5331 FC1=CC=CC(CNC2CC2)=C1 SBB109029 [0,1,0,1,0,0|2,0,0]=4 583 B9R1.12 CCCCN1C=CN=C1 SBB108734 [1,0,0,0,1,0|2,0,0]=4 584 B9R1.12 CCNCC1=CC=CO1 SBB047492 [1,0,0,0,1,0|2,0,0]=4 585 B9R1.12 NCCCC1=CC=CO1 SBB047796 [1,0,0,0,1,0|2,0,0]=4 586 B9R1.12 OCCCC1=CNN=C1 SBB073583 [1,0,0,0,1,0|2,0,0]=4 587 B9R1.12 OCCCN1C=CC=N1 SBB022862 [1,0,0,0,1,0|2,0,0]=4 588 B9R1.6 C=C(C)C1=CC=CC=C1 SBB060154 [0,0,0,0,2,0|1,0,1]=4 589 B9R1.6 CC(=O)C1=CC=CC=C1 SBB040241 [0,0,0,0,2,0|0,0,2]=4 590 B9R1.6 CC(Br)C1=CC=CC=C1 SBB040667 [0,0,0,0,2,0|1,0,0]=3 591 B9R1.6 CC(C)C1=CC=CC=C1 SBB040817 [0,0,0,0,2,0|1,0,0]=3 592 B9R1.6 CC(Cl)C1=CC=CC=C1 SBB007671 [0,0,0,0,2,0|1,0,0]=3 593 B9R1.6 CC(N)C1=CC=CC=C1 SBB040514 [0,0,0,0,2,0|1,0,0]=3 594 B9R1.6 CC(N)C1=CC=NC=C1 SBB007016 [0,0,0,0,2,0|2,0,0]=4 595 B9R1.6 CC(N)C1=CN=CC=C1 SBB027288 [0,0,0,0,2,0|2,0,0]=4 596 B9R1.6 CC(N)C1=NC=CC=C1 SBB018707 [0,0,0,0,2,0|2,0,0]=4 597 B9R1.6 CC(O)C1=CC=CC=C1 SBB058702 [0,0,0,0,2,0|0,0,0]=2 598 B9R1.6 CN(C)C1=CC=CC=C1 SBB040814 [0,0,0,0,2,0|2,0,0]=4 599 B9R1.6 CN(N)C1=CC=CC=C1 SBB060814 [0,0,0,0,2,0|2,0,0]=4 600 B9R1.6 C[C@@H](O)C1=CC=NC=C1 SBB065458 [0,0,0,0,2,0|1,0,0]=3 601 B9R1.6 C[C@H](N)C1=CC=CC=C1 SBB051709 [0,0,0,0,2,0|1,0,0]=3 602 B9R1.6 O=C(O)C1=CC=CC=C1 SBB040515 [0,0,0,0,2,0|1,0,1]=4 603 B9R1.13 CC(N)CC1=CC=CO1 SBB010238 [0,0,0,0,2,0|2,0,0]=4 604 B9R1.13 CC(N)CC1=CC=CS1 SBB010287 [0,0,0,0,2,0|2,0,0]=4 605 B9R1.13 CC(O)CN1C=CC=N1 SBB022477 [0,0,0,0,2,0|2,0,0]=4 606 B13R1.337 FC(F)CNCCC1=CC=CC=C1 SBB046664 [0,0,0,0,0,2|2,0,0]=4 607 B13R1.337 O=C(O)CCCCC1=CC=CC=C1 SBB069090 [0,0,0,0,0,2|1,0,1]=4 608 B13R1.337 O=C(O)CCCOC1=CC=CC=C1 SBB015389 [0,0,0,0,0,2|1,0,1]=4 609 B13R1.337 O=C(O)CCSCC1=CC=CC=C1 SBB111687 [0,0,0,0,0,2|1,0,1]=4