0 B12R1.125 CC(=O)COC1=C(C=CC=C1)Br OTV000351 [0,0,0,0,0,0|3,0,1]=4 1 B12R1.125 CC1=C(C=CC=C1)NCC(=O)O R871230 [0,0,0,0,0,0|2,0,1]=3 2 B12R1.125 CC1=CC=CC=C1OCC(=O)N R715522 [0,0,0,0,0,0|3,0,1]=4 3 B12R1.125 CC1=CC=CC=C1SCC(=O)O R363820 [0,0,0,0,0,0|2,0,1]=3 4 B12R1.125 NC(=O)COC1=C(C=CC=C1)Cl S80781 [0,0,0,0,0,0|3,0,1]=4 5 B12R1.125 NC(=O)COC1=C(C=CC=C1)O CDS020826 [0,0,0,0,0,0|2,0,1]=3 6 B12R1.125 NC1=C(C=CC=C1)/C=C/C(=O)O PH011123 [0,0,0,0,0,0|1,0,0]=1 7 B12R1.125 O=C(Cl)COC1=C(C=CC=C1)Cl OTV000735 [0,0,0,0,0,0|3,0,1]=4 8 B12R1.125 O=C(O)/C=C/C1=C(C=CC=C1)Cl PH010874 [0,0,0,0,0,0|1,0,0]=1 9 B12R1.125 O=C(O)CCC1=C(C=CC=C1)Cl PH000054 [0,0,0,0,0,0|1,0,2]=3 10 B12R1.125 O=C(O)CNC1=C(C=CC=C1)Cl R871222 [0,0,0,0,0,0|2,0,1]=3 11 B12R1.125 O=C(O)CNC1=C(C=CC=C1)F L447560 [0,0,0,0,0,0|2,0,1]=3 12 B12R1.125 O=C(O)COC1=C(C=CC=C1)Cl CDS001276 [0,0,0,0,0,0|2,0,1]=3 13 B11R1.17 C/C=C/CC1=CC=CC=C1O PH015920 [1,0,0,0,0,0|1,0,1]=3 14 B11R1.17 N#C/C=C/C1=CC=CC=C1I S849502 [1,0,0,0,0,0|2,0,1]=4 15 B11R1.17 N#CC=CC1=CC=CC=C1Cl S428108 [1,0,0,0,0,0|2,0,1]=4 16 B11R1.91 C(=C\C1=CC=CC=C1)\C(=O)[O-] S303518 [1,0,0,0,0,0|0,0,1]=2 17 B11R1.91 CC(=O)CSC1=CC=CC=C1 PH011676 [1,0,0,0,0,0|2,0,1]=4 18 B11R1.91 NC(=COC1=CC=CC=C1)N PH018935 [1,0,0,0,0,0|3,0,0]=4 19 B11R1.91 NC(=O)CNC1=CC=CC=C1 PH010726 [1,0,0,0,0,0|2,0,1]=4 20 B11R1.91 NC(=O)CSC1=CC=CC=C1 PH011181 [1,0,0,0,0,0|2,0,1]=4 21 B11R1.91 O=C(O)/C=C/C1=CC=CC=C1 S826065 [1,0,0,0,0,0|0,0,0]=1 22 B11R1.91 O=C(O)/C=C/C1=CC=CC=N1 CDS014259 [1,0,0,0,0,0|1,0,0]=2 23 B11R1.91 O=C(O)/C=C/C1=CC=NC=C1 S786993 [1,0,0,0,0,0|1,0,0]=2 24 B11R1.91 O=C(O)CCC1=CC=NC=C1 CDS002094 [1,0,0,0,0,0|1,0,2]=4 25 B11R1.91 O=C(O)CNC1=NC=CC=C1 R411434 [1,0,0,0,0,0|2,0,1]=4 26 B11R1.91 O=C(O)CSC1=CC=CC=N1 CDS002508 [1,0,0,0,0,0|2,0,1]=4 27 B11R1.91 O=C([O-])/C=C/C1=CC=CC=C1 S566357 [1,0,0,0,0,0|0,0,1]=2 28 B11R1.91 O=C([O-])/C=C/C1=CC=CC=C1 S573108 [1,0,0,0,0,0|0,0,1]=2 29 B11R1.91 O=C([O-])C#CC1=CC=CC=C1 S631582 [1,0,0,0,0,0|0,0,3]=4 30 B11R1.91 O=C([O-])COC1=CC=CC=C1 R257494 [1,0,0,0,0,0|1,0,2]=4 31 B11R1.91 O=C([O-])CSC1=CC=CC=C1 T288012 [1,0,0,0,0,0|1,0,2]=4 32 B11R1.91 O=P(O)OCC1=CC=CC=C1 S435015 [1,0,0,0,0,0|2,0,1]=4 33 B11R1.91 O=[N+]([O-])/C=C/C1=CC=CN=C1 R437166 [1,0,0,0,0,0|2,0,1]=4 34 B13R1.90 CCC1=C(C=CC=C1)NCC(=O)O R761990 [0,1,0,0,0,0|2,0,1]=4 35 B13R1.90 CCC1=CC=CC=C1OCC(=O)O OTV000239 [0,1,0,0,0,0|2,0,1]=4 36 B13R1.90 COC1=CC=CC=C1NCC(=O)O T109304 [0,1,0,0,0,0|1,0,1]=3 37 B13R1.90 C[Se]C1=CC=CC=C1/C=C/C(=O)O S893102 [0,1,0,0,0,0|0,1,0]=2 38 B13R1.90 N#CC1=CC=CC=C1CCC(=O)O T314889 [0,1,0,0,0,0|1,0,2]=4 39 B13R1.90 N#CC1=CC=CC=C1OCC(=O)O CDS011537 [0,1,0,0,0,0|2,0,1]=4 40 B13R1.150 CC1=C(C(=CC=C1)OCC(=O)O)C S361100 [0,1,0,0,0,0|2,0,1]=4 41 B13R1.150 CC1=C(C=CC=C1NCC(=O)O)Cl T110809 [0,1,0,0,0,0|2,0,1]=4 42 B13R1.150 CC1=CC=CC(=C1C)NCC(=O)O L172502 [0,1,0,0,0,0|2,0,1]=4 43 B13R1.150 O=C(O)/C=C/C1=C(C(=CC=C1)Cl)Cl R946540 [0,1,0,0,0,0|1,0,0]=2 44 B13R1.150 O=[N+]([O-])/C=C/C1=C(C(=CC=C1)Cl)Cl R594539 [0,1,0,0,0,0|2,0,1]=4 45 B13R1.157 NC1=C(C=CC=C1)/C=C/S(=O)(=O)N PH007921 [0,1,0,0,0,0|2,0,1]=4 46 B13R1.164 CC(=O)/C=C/C1=C(C=C(C=C1)Cl)Cl R613541 [0,1,0,0,0,0|2,0,0]=3 47 B13R1.164 CC1=CC(=C(C=C1)NCC(=O)O)C L172472 [0,1,0,0,0,0|2,0,1]=4 48 B13R1.164 CC1=CC(=CC=C1C=CC(=O)O)N S398012 [0,1,0,0,0,0|1,0,0]=2 49 B13R1.164 CC1=CC=C(C(=C1)Br)OCC(=O)O S697141 [0,1,0,0,0,0|2,0,1]=4 50 B13R1.164 CC1=CC=C(C(=C1)C)/C=C/C(=O)O KOB0165 [0,1,0,0,0,0|1,0,0]=2 51 B13R1.164 CC1=CC=C(C(=C1)C)/C=C/[N+](=O)[O-] R594113 [0,1,0,0,0,0|2,0,1]=4 52 B13R1.164 CC1=CC=C(C(=C1)C)CCC(=O)O R245275 [0,1,0,0,0,0|1,0,2]=4 53 B13R1.164 CC1=CC=C(C(=C1)C)OCC(=O)O R703249 [0,1,0,0,0,0|2,0,1]=4 54 B13R1.164 NC(=O)/C=C/C1=CC=C(C=C1Cl)Cl PH010730 [0,1,0,0,0,0|2,0,0]=3 55 B13R1.164 O=C(O)/C=C/C1=C(C=C(C=C1)F)Cl R436704 [0,1,0,0,0,0|1,0,0]=2 56 B13R1.164 O=C(O)CCC1=CC=C(C=C1Cl)F RNI00047 [0,1,0,0,0,0|1,0,2]=4 57 B13R1.164 O=C(O)CNC1=CC=C(C=C1Cl)Br R822086 [0,1,0,0,0,0|2,0,1]=4 58 B13R1.201 CC(=O)CC(=O)C1=CC=CC=C1O CDS008776 [0,1,0,0,0,0|1,0,1]=3 59 B13R1.201 CC(CC(=O)O)C1=CC=CC=C1I T135852 [0,1,0,0,0,0|1,0,2]=4 60 B13R1.201 CC1=CC=CC=C1/C(=C/C(=O)O)/C R244880 [0,1,0,0,0,0|1,0,0]=2 61 B13R1.202 C/C(=C\C1=C(C=CC=C1)Cl)/C(=O)O S808695 [0,1,0,0,0,0|1,0,0]=2 62 B13R1.202 C/C(=C\C1=CC=CC=C1F)/[N+](=O)[O-] PH014782 [0,1,0,0,0,0|2,0,1]=4 63 B13R1.202 CC(OC1=C(C=CC=C1)Cl)C(=O)O R425818 [0,1,0,0,0,0|2,0,1]=4 64 B13R1.202 CC(OC1=CC=CC=C1F)C(=O)O CDS011686 [0,1,0,0,0,0|2,0,1]=4 65 B13R1.202 CC1=C(C=CC=C1)/C=C(\C)/[N+](=O)[O-] PH014796 [0,1,0,0,0,0|2,0,1]=4 66 B13R1.202 CC1=C(C=CC=C1)CC(N)C(=O)O R410985 [0,1,0,0,0,0|1,0,2]=4 67 B13R1.202 CC1=CC=CC=C1OC(C)C(=O)O PH010162 [0,1,0,0,0,0|2,0,1]=4 68 B13R1.202 NC(CC1=CC=CC=C1Cl)C(=O)O R262129 [0,1,0,0,0,0|1,0,2]=4 69 B13R1.528 CCC(=O)/C=C/C1=CC=CC=C1O L255661 [0,1,0,0,0,0|1,0,0]=2 70 B13R1.528 COC(=O)/C=C/C1=C(C=CC=C1)O PH004658 [0,1,0,0,0,0|0,0,0]=1 71 B13R1.528 COC(=O)/C=C/C1=CC=CN=C1N ADE000758 [0,1,0,0,0,0|2,0,0]=3 72 B13R1.528 COC(=O)/C=C/C1=CN=CC=C1Cl ADE000815 [0,1,0,0,0,0|2,0,0]=3 73 B13R1.528 COC(=O)CCC1=C(C=CC=C1)O CDS015224 [0,1,0,0,0,0|0,0,2]=3 74 B13R1.528 O=C(COC1=CC=CC=C1Cl)NO PH008683 [0,1,0,0,0,0|2,0,1]=4 75 B13R1.893 CC1=CC(=C(C=C1)C)/C=C/C(=O)O PH011355 [0,1,0,0,0,0|1,0,0]=2 76 B13R1.893 CC1=CC(=C(C=C1)C)OCC(=O)O R435279 [0,1,0,0,0,0|2,0,1]=4 77 B13R1.893 CC1=CC(=C(C=C1)C)OCC(=O)O S408166 [0,1,0,0,0,0|2,0,1]=4 78 B13R1.893 O=C(O)/C=C/C1=C(C=CC(=C1)I)F L134279 [0,1,0,0,0,0|1,0,0]=2 79 B13R1.893 O=C(O)CCC1=CC(=CC=C1Cl)Cl JRD0472 [0,1,0,0,0,0|1,0,2]=4 80 B13R1.893 O=C(O)COC1=C(C=CC(=C1)Cl)Cl OTV000322 [0,1,0,0,0,0|2,0,1]=4 81 B13R1.893 O=C(O)COC1=CC(=CC=C1Br)F CDS022259 [0,1,0,0,0,0|2,0,1]=4 82 B13R1.893 O=C(O)CSC1=C(C=CC(=C1)Cl)Cl PH011457 [0,1,0,0,0,0|2,0,1]=4 83 B13R1.3787 C(=C/C1=C(C=CC=C1F)Cl)\C(=O)O R435929 [0,1,0,0,0,0|1,0,0]=2 84 B13R1.3787 CC1=CC=CC(=C1OCC(=O)O)C S947865 [0,1,0,0,0,0|2,0,1]=4 85 B13R1.3787 O=C(O)/C=C/C1=C(C=CC=C1Cl)Cl R157198 [0,1,0,0,0,0|1,0,0]=2 86 B13R1.3787 O=C(O)/C=C/C1=C(C=CC=C1Cl)Cl R435627 [0,1,0,0,0,0|1,0,0]=2 87 B13R1.3787 O=C(O)/C=C/C1=C(C=CC=C1Cl)Cl S463531 [0,1,0,0,0,0|1,0,0]=2 88 B13R1.3787 O=C(O)CSC1=C(C=CC=C1Cl)Cl PH010790 [0,1,0,0,0,0|2,0,1]=4 89 B13R2.33 O=C1C=CC2=C(C=CC=C2)CC1 T199605 [0,0,0,1,0,0|2,0,0]=3 90 B13R2.33 O=C1C=CC2=CC=CC=C2C=C1 T176389 [0,0,0,1,0,0|2,0,0]=3 91 B13R2.435 CC(=O)C1=CN2C=CC=CC2=C1 PH014750 [0,0,0,1,0,0|3,0,0]=4 92 B13R2.435 CC(=O)C1=NC2=C(S1)C=CC=C2 CDS003776 [0,0,0,1,0,0|2,1,0]=4 93 B13R2.435 NC(=O)C1=CC2=C(O1)C=CC=C2 S815276 [0,0,0,1,0,0|1,0,0]=2 94 B13R2.435 NC(=O)C1=NC2=C(S1)C=CC=C2 PH011186 [0,0,0,1,0,0|2,1,0]=4 95 B13R2.435 O=C(O)C1=CC2=CC=CN=C2N1 CDS009698 [0,0,0,1,0,0|2,0,0]=3 96 B13R2.435 O=C(O)C1=CC2=NC=CN=C2S1 CDS017542 [0,0,0,1,0,0|2,1,0]=4 97 B13R2.435 O=C(O)C1=CN2C=CC=CC2=C1 CDS009157 [0,0,0,1,0,0|2,0,0]=3 98 B13R2.435 O=C(O)C1=CN2C=CC=NC2=N1 CBR00103 [0,0,0,1,0,0|3,0,0]=4 99 B13R2.435 O=C(O)C1=NN2C=CC=CC2=C1 CDS020355 [0,0,0,1,0,0|2,0,0]=3 100 B13R2.435 O=C(O)C1=NN2C=CC=NC2=C1 CDS019852 [0,0,0,1,0,0|3,0,0]=4 101 B13R2.435 O=C(O)C1OC2=C(O1)C=CC=C2 PH010404 [0,0,0,1,0,0|1,0,1]=3 102 B13R2.5179 CC1=CC=C2C(=CC=NC2=C1)O BBO000221 [0,0,0,1,0,0|3,0,0]=4 103 B13R2.5179 ClC1=NC2=CC=CC(=C2C=C1)Br BBO000549 [0,0,0,1,0,0|3,0,0]=4 104 B13R2.5179 NC1=C2C=CC(=CC2=CC=C1)O CDS000157 [0,0,0,1,0,0|2,0,0]=3 105 B13R2.5179 NC1=CC2=C(C=C1)C(=CC=C2)O CDS000002 [0,0,0,1,0,0|2,0,0]=3 106 B13R2.5179 OC1=CC=NC2=CC(=CC=C12)Br BBO000232 [0,0,0,1,0,0|3,0,0]=4 107 B13R2.5179 OC1=CC=NC2=CC(=CC=C12)F BBO000050 [0,0,0,1,0,0|3,0,0]=4 108 B11R1.86 C/[N+](=C/C1=C(C=CC=C1)O)/[O-] L170356 [0,0,0,0,1,0|2,0,1]=4 109 B11R1.86 CC(=O)CC1=CC=CC=C1Br CDS003545 [0,0,0,0,1,0|2,0,1]=4 110 B11R1.86 CC(=O)NC1=C(C=CC=C1)C S554383 [0,0,0,0,1,0|3,0,0]=4 111 B11R1.86 CC(=O)NC1=C(C=CN=C1)O ADE000679 [0,0,0,0,1,0|3,0,0]=4 112 B11R1.86 CC(=O)NC1=C(C=NC=C1)O ADE000677 [0,0,0,0,1,0|3,0,0]=4 113 B11R1.86 CC(=O)NC1=CC=CN=C1O ADE000688 [0,0,0,0,1,0|3,0,0]=4 114 B11R1.86 CC(=O)NC1=NC=CC=C1O ADE000678 [0,0,0,0,1,0|3,0,0]=4 115 B11R1.86 CC(=O)OC1=C(C=CC=C1)I KOB0112 [0,0,0,0,1,0|3,0,0]=4 116 B11R1.86 CC1=C(C=CC=C1)CC(=O)Cl PH014881 [0,0,0,0,1,0|2,0,1]=4 117 B11R1.86 CC1=CC=CC=C1NC(=O)N S435643 [0,0,0,0,1,0|3,0,0]=4 118 B11R1.86 NC(=O)CC1=CC=CC=C1Br CDS005049 [0,0,0,0,1,0|2,0,1]=4 119 B11R1.86 NC(=O)CC1=CC=CC=C1Cl CDS011434 [0,0,0,0,1,0|2,0,1]=4 120 B11R1.86 NC(=O)CC1=CC=CC=C1N CDS012270 [0,0,0,0,1,0|2,0,1]=4 121 B11R1.86 NC(=O)CC1=CC=CC=C1O S668982 [0,0,0,0,1,0|1,0,1]=3 122 B11R1.86 NC(=O)NC1=C(C=CC=C1)Br PH011364 [0,0,0,0,1,0|3,0,0]=4 123 B11R1.86 NC(=O)NC1=CC=CC=C1Cl PH009853 [0,0,0,0,1,0|3,0,0]=4 124 B11R1.86 NC(=O)NC1=CC=CC=C1F S730572 [0,0,0,0,1,0|3,0,0]=4 125 B11R1.86 NC(=O)OC1=CC=CC=C1Cl PH009081 [0,0,0,0,1,0|3,0,0]=4 126 B11R1.86 NC1=C(C=CC=C1)CC(=O)O CDS003084 [0,0,0,0,1,0|1,0,1]=3 127 B11R1.86 O=C(O)CN1C=CC=CC1=O CDS010316 [0,0,0,0,1,0|1,0,2]=4 128 B11R1.90 CC1=C(SC=C1)/C=C/C(=O)O T326682 [0,0,0,0,1,0|2,0,0]=3 129 B11R1.90 CN1C=CC=C1/C=C/C(=O)O CDS022227 [0,0,0,0,1,0|2,0,0]=3 130 B11R1.90 CN1N=CC=C1/C=C/C(=O)O CDS022768 [0,0,0,0,1,0|3,0,0]=4 131 B13R1.158 CC(=O)N/N=C/C1=C(C=CC=C1)O S779687 [0,0,0,0,0,1|2,0,0]=3 132 B13R1.158 CC1=CC=CC=C1CCCC(=O)O R245283 [0,0,0,0,0,1|1,0,2]=4 133 B13R1.158 CC1=CC=CC=C1SCCC(=O)O S849561 [0,0,0,0,0,1|1,0,2]=4 134 B13R1.158 NC(=O)N/N=C/C1=C(C=CC=C1)O R531561 [0,0,0,0,0,1|2,0,0]=3 135 B13R1.158 NC(=O)N/N=C/C1=CC=CC=C1Cl PH002203 [0,0,0,0,0,1|3,0,0]=4 136 B13R1.158 NC(=S)N/N=C\C1=C(C=CC=C1)O S172316 [0,0,0,0,0,1|2,1,0]=4 137 B13R1.158 NC1=CC=CC=C1CCCC(=O)O PH003105 [0,0,0,0,0,1|1,0,2]=4 138 B13R1.158 O=C(O)CCNC1=C(C=CC=C1)Cl PH011647 [0,0,0,0,0,1|1,0,2]=4 139 B10R1.4 C(=O)NC1=C(C=CC=C1)C S349992 [2,0,0,0,0,0|2,0,0]=4 140 B10R1.4 C(=O)NC1=C(C=CC=C1)Cl S775096 [2,0,0,0,0,0|2,0,0]=4 141 B10R1.4 C(=O)NC1=C(C=CC=C1)O S362476 [2,0,0,0,0,0|1,0,0]=3 142 B10R1.4 C=CSC1=CC=CC=C1N PH007227 [2,0,0,0,0,0|2,0,0]=4 143 B10R1.4 O/N=C/C1=CC=CC=C1F S550531 [2,0,0,0,0,0|2,0,0]=4 144 B10R1.4 O=CCC1=CC=CC=C1Br CDS018605 [2,0,0,0,0,0|1,0,1]=4 145 B10R1.4 O=CNC1=C(C=CC=C1)F PH008157 [2,0,0,0,0,0|2,0,0]=4 146 B10R1.17 C(=C/SC1=CC=CC=C1)\C T281522 [2,0,0,0,0,0|2,0,0]=4 147 B10R1.17 C(=C\C1=CC=CC=C1)\CN S302880 [2,0,0,0,0,0|1,0,1]=4 148 B10R1.17 C(=O)CSC1=CC=CC=C1 T216623 [2,0,0,0,0,0|1,0,1]=4 149 B10R1.17 C(=O)NNC1=CC=CC=C1 S984272 [2,0,0,0,0,0|2,0,0]=4 150 B10R1.17 C/C=C/SC1=CC=CC=C1 T282642 [2,0,0,0,0,0|2,0,0]=4 151 B10R1.17 CSC=CC1=CC=CC=C1 S332976 [2,0,0,0,0,0|2,0,0]=4 152 B12R1.267 O=CN/N=C/C1=CC=CC=C1O L496960 [1,1,0,0,0,0|1,0,0]=3 153 B12R1.308 C=COC(=O)C1=CC=CC=C1O S375306 [1,1,0,0,0,0|2,0,0]=4 154 B12R1.308 O=C(NCO)C1=CC=CC=C1O S385050 [1,1,0,0,0,0|1,0,1]=4 155 B12R1.1631 O=C/C=C/C1=C(C=CC=C1F)F CDS020168 [1,1,0,0,0,0|1,0,0]=3 156 B12R1.21 CC(=O)/C=C/C1=CC=C(C=C1)Br TMT00515 [1,1,0,0,0,0|1,0,0]=3 157 B12R1.21 CC(=O)/C=C/C1=CC=C(C=C1)F CDS016057 [1,1,0,0,0,0|1,0,0]=3 158 B12R1.21 CC(=O)C=CC1=CC=C(C=C1)O S350656 [1,1,0,0,0,0|1,0,0]=3 159 B12R1.21 CC1=CC=C(C=C1)/C=C/C(=O)N R640662 [1,1,0,0,0,0|1,0,0]=3 160 B12R1.21 CC1=CC=C(C=C1)SCC(=O)O S755710 [1,1,0,0,0,0|1,0,1]=4 161 B12R1.21 NC(=O)/C=C/C1=CC=C(C=C1)Cl PH010888 [1,1,0,0,0,0|1,0,0]=3 162 B12R1.21 NC1=CC=C(C=C1)/C=C/C(=O)O CDS000175 [1,1,0,0,0,0|0,0,0]=2 163 B12R1.21 NC1=NC=C(C=N1)/C=C/C(=O)O CBR00472 [1,1,0,0,0,0|2,0,0]=4 164 B12R1.21 O=C(O)CNC1=CC=C(C=C1)F T109797 [1,1,0,0,0,0|1,0,1]=4 165 B12R1.27 C/C(=N\O)/C=C/C1=CC=CC=C1 R396273 [1,1,0,0,0,0|1,0,0]=3 166 B12R1.27 CCC(=O)/C=C/C1=CC=CC=C1 PH002923 [1,1,0,0,0,0|1,0,0]=3 167 B12R1.27 COC(=O)C=CC1=CC=NC=C1 S409413 [1,1,0,0,0,0|1,0,0]=3 168 B12R1.27 COC(=O)NCC1=CC=CC=C1 S594148 [1,1,0,0,0,0|1,0,1]=4 169 B12R1.27 O=C(/C=C/C1=CC=NC=C1)NO S742236 [1,1,0,0,0,0|1,0,0]=3 170 B12R1.43 CC(SC1=CC=CC=C1)C(=O)O T214256 [1,1,0,0,0,0|1,0,1]=4 171 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O PH000113 [1,1,0,0,0,0|0,0,2]=4 172 B12R1.43 O=C(O)/C(=C/C1=CC=CC=C1)/Br S808768 [1,1,0,0,0,0|0,0,0]=2 173 B12R1.43 O=C(O)/C(=C/C1=CC=CC=C1)/Cl PH009328 [1,1,0,0,0,0|0,0,0]=2 174 B12R1.43 O=C(O)/C(=C/C1=CC=CN=C1)/F CDS021801 [1,1,0,0,0,0|1,0,0]=3 175 B12R1.43 O=C(O)/C(=C\C1=CC=CC=C1)/Cl PH004529 [1,1,0,0,0,0|0,0,0]=2 176 B12R1.43 O=C(O)C(Br)CC1=CC=CC=C1 T136158 [1,1,0,0,0,0|0,0,2]=4 177 B12R1.43 O=[N+]([O-])/C(=C/C1=CC=CC=C1)/Br PH008680 [1,1,0,0,0,0|1,0,1]=4 178 B12R1.107 C/C(=C\C(=O)N)/C1=CC=CC=C1 PH007020 [1,1,0,0,0,0|1,0,0]=3 179 B12R1.107 C/C(=C\C(=O)O)/C1=CC=CC=C1 S808334 [1,1,0,0,0,0|0,0,0]=2 180 B12R1.107 C[C@H](CC(=O)O)C1=CC=CC=C1 PH000708 [1,1,0,0,0,0|0,0,2]=4 181 B12R1.107 NC(=O)NC(=O)C1=CC=CC=C1 S450545 [1,1,0,0,0,0|2,0,0]=4 182 B12R1.226 CC1=CC(=CC=C1)OCC(=O)O S353191 [1,1,0,0,0,0|1,0,1]=4 183 B12R1.226 NC1=CC(=CC=C1)CCC(=O)O CDS000895 [1,1,0,0,0,0|0,0,2]=4 184 B12R1.226 O=C(O)CCC1=CC=CC(=C1)O PH011597 [1,1,0,0,0,0|0,0,2]=4 185 B12R1.226 O=C(O)CNC1=CC(=CC=C1)Cl L449121 [1,1,0,0,0,0|1,0,1]=4 186 B12R1.226 O=[N+]([O-])/C=C\C1=CC(=CC=C1)O S914215 [1,1,0,0,0,0|1,0,1]=4 187 B12R1.891 C(=C/S(=O)(=O)O)\C1=CC=CC=C1 T164135 [1,1,0,0,0,0|1,0,0]=3 188 B12R1.891 C(=C/S(=O)(=O)O)\C1=CC=CC=C1 T164143 [1,1,0,0,0,0|1,0,0]=3 189 B12R1.891 CC(C)(O)/C=C/C1=CC=CC=C1 S881074 [1,1,0,0,0,0|1,0,1]=4 190 B12R1.891 CS(=O)(=O)/C=C/C1=CC=CC=C1 S778249 [1,1,0,0,0,0|1,0,1]=4 191 B12R1.891 O=P(O)(O)/C=C/C1=CC=CC=C1 PH002029 [1,1,0,0,0,0|1,0,0]=3 192 B12R1.75 COC1=C(C=CC=C1)CC(=O)N EME00432 [0,1,0,0,1,0|1,0,1]=4 193 B12R1.75 COC1=CC=CC=C1NC(=O)N S352535 [0,1,0,0,1,0|2,0,0]=4 194 B12R1.75 CSC1=CC=CC=C1CC(=O)O OTV000686 [0,1,0,0,1,0|0,1,1]=4 195 B12R1.75 N#CC1=CC=CC=C1CC(=O)O CDS011719 [0,1,0,0,1,0|1,0,1]=4 196 B12R1.124 CC(C(=O)O)C1=CC=CC=C1F CDS023363 [0,1,0,0,1,0|1,0,1]=4 197 B12R1.124 CC1=CC=CC=C1C(C)C(=O)O S376779 [0,1,0,0,1,0|1,0,1]=4 198 B12R1.127 CC(=O)NC1=C(C=CC(=C1)C)O S571989 [0,1,0,0,1,0|2,0,0]=4 199 B12R1.233 CC1=CC=C(C(=C1)O)CC(=O)O PH016856 [0,1,0,0,1,0|0,0,1]=3 200 B14R1.96 COC1=C(C=CC=C1)/C=N/NC(=O)C S549290 [0,1,0,0,0,1|2,0,0]=4 201 B14R1.96 COC1=CC=CC=C1/C=N/NC(=O)N R708267 [0,1,0,0,0,1|2,0,0]=4 202 B14R1.96 COC1=CC=CC=C1CCCC(=O)O R245194 [0,1,0,0,0,1|0,0,2]=4 203 B14R1.154 NC(=O)N/N=C/C1=C(C(=CC=C1)O)O S772666 [0,1,0,0,0,1|2,0,0]=4 204 B14R1.160 NC1=C(C=CC=C1)C(=O)NCC(=O)O PH010483 [0,1,0,0,0,1|1,0,1]=4 205 B14R1.160 O=C(O)CNC(=O)C1=CC=CC=C1Cl S676950 [0,1,0,0,0,1|1,0,1]=4 206 B14R1.837 COC(=O)N/N=C/C1=C(C=CC=C1)Cl S924458 [0,1,0,0,0,1|2,0,0]=4 207 B14R1.4464 CC(=O)N/N=C/C1=C(C=C(C=C1)O)O R708593 [0,1,0,0,0,1|2,0,0]=4 208 B14R1.4464 NC(=O)N/N=C/C1=C(C=C(C=C1)O)O R700169 [0,1,0,0,0,1|2,0,0]=4 209 B14R1.6072 CC(=O)N/N=C/C1=C(C=CC(=C1)Br)O R710369 [0,1,0,0,0,1|2,0,0]=4 210 B14R1.482 CCOC1=CC=CC=C1OCC(=O)O PH000331 [0,2,0,0,0,0|1,0,1]=4 211 B14R1.1600 COC1=C(C=CC(=C1)C)OCC(=O)O T116041 [0,2,0,0,0,0|1,0,1]=4 212 B14R1.1600 COC1=CC(=CC=C1OCC(=O)O)Cl PH016687 [0,2,0,0,0,0|1,0,1]=4 213 B14R1.3135 COC1=C(C=CC=C1)CC(=S)C(=O)O R627100 [0,2,0,0,0,0|0,0,1]=3 214 B14R1.3135 COC1=C(C=CC=C1)C[C@H](N)C(=O)O BBO000410 [0,2,0,0,0,0|0,0,2]=4 215 B14R1.3135 COC1=CC=CC=C1/C=C(\C)/C(=O)O S560405 [0,2,0,0,0,0|0,0,0]=2 216 B14R1.3135 COC1=CC=CC=C1/C=C(\C)/[N+](=O)[O-] PH003776 [0,2,0,0,0,0|1,0,1]=4 217 B14R1.3135 COC1=CC=CC=C1/C=C(\S)/C(=O)O S762539 [0,2,0,0,0,0|0,0,0]=2 218 B14R1.3135 COC1=CC=CC=C1CC(C)C(=O)O PH010638 [0,2,0,0,0,0|0,0,2]=4 219 B14R1.4522 O=C(O)CNC1=C(C=CC=C1)C(=O)O S953318 [0,2,0,0,0,0|1,0,1]=4 220 B14R1.4522 O=C(O)COC1=C(C=CC=C1)C(=O)O PH006787 [0,2,0,0,0,0|1,0,1]=4 221 B14R1.4522 O=C(O)CSC1=C(C=CC=C1)C(=O)O PH005164 [0,2,0,0,0,0|1,0,1]=4 222 B14R1.81 COC1=CC=CC(=C1Cl)/C=C/C(=O)O T113638 [0,2,0,0,0,0|1,0,0]=3 223 B14R1.153 CC1=C(C(=CC=C1)CC(N)C(=O)O)O S749753 [0,2,0,0,0,0|0,0,2]=4 224 B14R1.103 COC1=CC(=C(C=C1)/C=C/C(=O)O)C R411000 [0,2,0,0,0,0|1,0,0]=3 225 B14R1.727 COC(=O)/C=C/C1=CC=C(C=C1Cl)Cl PH009308 [0,2,0,0,0,0|1,0,0]=3 226 B14R1.727 COC(=O)/C=C/C1=CC=C(N=C1Cl)Br ADE000609 [0,2,0,0,0,0|2,0,0]=4 227 B14R1.3152 CC(=O)/C=C/C1=C(C=C(C=C1C)C)C S926647 [0,2,0,0,0,0|2,0,0]=4 228 B14R1.6048 CC(=O)CC(=O)C1=C(C=C(C=C1)C)O S808873 [0,2,0,0,0,0|1,0,1]=4 229 B14R1.6049 C/C(=C\C1=CC=C(C=C1Cl)Cl)/C(=O)O R151157 [0,2,0,0,0,0|1,0,0]=3 230 B14R1.6049 CC1=CC=C(C(=C1)O)CC(N)C(=O)O S749745 [0,2,0,0,0,0|0,0,2]=4 231 B14R1.6052 CC(=O)CC(=O)C1=C(C=CC(=C1)F)O JRD0777 [0,2,0,0,0,0|1,0,1]=4 232 B14R1.550 N#C/C(=C\C1=C(C=CC=C1)Br)/C(=O)O T118273 [0,2,0,0,0,0|1,0,0]=3 233 B14R1.550 N#C/C(=C\C1=C(C=CC=C1)F)/C(=O)N L253030 [0,2,0,0,0,0|2,0,0]=4 234 B14R1.550 N#C/C(=C\C1=C(C=CC=C1)F)/C(=O)O L132403 [0,2,0,0,0,0|1,0,0]=3 235 B14R1.550 N#C/C(=C\C1=C(C=NC=C1)Cl)/C(=O)O T103381 [0,2,0,0,0,0|2,0,0]=4 236 B14R1.550 N#C/C(=C\C1=C(C=NC=C1)F)/C(=O)O T113085 [0,2,0,0,0,0|2,0,0]=4 237 B14R1.550 N#CC(=CC1=CC=CC=C1Cl)C(=O)N S523674 [0,2,0,0,0,0|2,0,0]=4 238 B14R1.4474 CC1=CC=C(C(=C1)CC(N)C(=O)O)O S749664 [0,2,0,0,0,0|0,0,2]=4 239 B14R1.5971 C/C(=C\C1=C(C=CC=C1Cl)Cl)/C(=O)O PH003467 [0,2,0,0,0,0|1,0,0]=3 240 B14R1.598 CCOC(=O)/C=C/C1=C(C=CC=C1)Cl PH003227 [0,2,0,0,0,0|1,0,0]=3 241 B14R1.598 CCOC(=O)/C=C/C1=CC=CN=C1Cl ADE000261 [0,2,0,0,0,0|2,0,0]=4 242 B14R1.820 COC(=O)/C=C/C1=CC(=CN=C1Cl)C ADE000760 [0,2,0,0,0,0|2,0,0]=4 243 B14R1.820 COC(=O)/C=C/C1=CC(=CN=C1N)Br ADE000403 [0,2,0,0,0,0|2,0,0]=4 244 B14R1.820 COC(=O)/C=C/C1=CC(=CN=C1N)C ADE000117 [0,2,0,0,0,0|2,0,0]=4 245 B14R1.820 COC(=O)/C=C/C1=CC(=CN=C1N)F ADE000118 [0,2,0,0,0,0|2,0,0]=4 246 B14R1.19598 COC(=O)/C=C/C1=C(C=CN=C1Cl)I ADE000567 [0,2,0,0,0,0|2,0,0]=4 247 B12R1.54 O=C(O)/C=C/C(=O)C1=CC=CS1 PH000163 [0,0,1,1,0,0|1,1,0]=4 248 B12R1.232 O=C(O)C1=CC(=C(C=C1O)O)O L168718 [0,0,1,1,0,0|2,0,0]=4 249 B12R1.258 NC(=O)C1=CC=CC(=C1)C(=O)O CDS011144 [0,0,1,1,0,0|1,0,1]=4 250 B12R1.283 C=CCC1=CC=CC=C1C(=O)O CDS019640 [0,0,1,1,0,0|1,0,1]=4 251 B12R1.283 O=CNC1=CC=CC=C1C(=O)O S636886 [0,0,1,1,0,0|1,0,1]=4 252 B12R2.24 NC1=CC2=C(C=CC=C2)C=C1 S810606 [1,0,0,1,0,0|2,0,0]=4 253 B12R2.24 OC1=CC2=CC=CC=C2N=C1 CDS009409 [1,0,0,1,0,0|2,0,0]=4 254 B12R2.24 OC1=CC=C2C=CC=NC2=C1 CDS008204 [1,0,0,1,0,0|2,0,0]=4 255 B12R2.32 N#CC1=CC2=C(O1)C=CC=C2 R700967 [1,0,0,1,0,0|1,0,1]=4 256 B12R2.32 O=CC1=NC2=C(N1)C=CC=C2 PH006841 [1,0,0,1,0,0|2,0,0]=4 257 B12R2.32 OCC1=CC2=NC=CC=C2O1 ADE001139 [1,0,0,1,0,0|1,0,1]=4 258 B12R2.1081 IC1=C2C=CC=NC2=CC=C1 CDS021135 [1,0,0,1,0,0|2,0,0]=4 259 B12R2.1081 NC1=CC=CC2=CC=CC=C12 CDS019944 [1,0,0,1,0,0|2,0,0]=4 260 B12R2.1081 OC1=CC=CC2=C1C=CCC2 PH008627 [1,0,0,1,0,0|1,0,1]=4 261 B12R2.1081 OC1=CC=CC2=C1N=CC=C2 S440892 [1,0,0,1,0,0|2,0,0]=4 262 B12R2.1081 OC1=CC=CC2=CC=NC=C12 CDS007114 [1,0,0,1,0,0|2,0,0]=4 263 B12R2.1081 OC1=CN=CC2=CC=CC=C12 CDS009938 [1,0,0,1,0,0|2,0,0]=4 264 B12R2.2403 O=S1(=O)C=CC2=C1C=CC=C2 S852414 [1,0,0,1,0,0|1,0,1]=4 265 B12R2.2403 O=S1(=O)C=CC2=C1C=CC=C2 S984302 [1,0,0,1,0,0|1,0,1]=4 266 B12R2.202 NC1=C2NC(=O)OC2=CC=C1 OTV000480 [0,0,0,1,1,0|2,0,0]=4 267 B12R2.202 O=C1C=C2C(=CC=CC2=N1)F CDS021261 [0,0,0,1,1,0|2,0,0]=4 268 B12R2.252 O=C(O)C1=CC2=C(S1)C=CS2 CDS002700 [0,0,0,1,1,0|1,1,0]=4 269 B14R2.256 CC1=NC(=CS1)C2=C(C=CC=C2)O JRD0384 [0,0,0,1,0,1|2,0,0]=4 270 B14R2.280 O=C1C=CC2=CC=CC=C2C=CN1 T176486 [0,0,0,1,0,1|2,0,0]=4 271 B14R2.768 O=C(O)CC1=CC2=C(N1)C=CC=C2 CDS021628 [0,0,0,1,0,1|1,0,0]=3 272 B14R2.768 O=C(O)CC1=CC2=C(O1)C=CC=C2 CDS016771 [0,0,0,1,0,1|0,0,0]=2 273 B14R2.768 O=C(O)CC1=CN2C=CC=CC2=N1 OTV000651 [0,0,0,1,0,1|2,0,0]=4 274 B14R2.768 O=C([O-])CC1=NC2=CC=CC=C2O1 CBR01669 [0,0,0,1,0,1|0,0,2]=4 275 B14R2.781 CC(=O)C1=CN=C2C=CC=CC2=N1 CDS010639 [0,0,0,1,0,1|2,0,0]=4 276 B14R2.781 O=C(O)C1=CC2=C(C=C1)N=CC=C2 PH006820 [0,0,0,1,0,1|2,0,0]=4 277 B14R2.781 O=C(O)C1=CC=C2C=NC=CC2=C1 CDS008227 [0,0,0,1,0,1|2,0,0]=4 278 B14R2.781 O=C(O)C1=CC=C2N=CC=CC2=N1 CDS001881 [0,0,0,1,0,1|2,0,0]=4 279 B14R2.781 O=C(O)C1=CN=C2C=CC=NC2=C1 ADE000868 [0,0,0,1,0,1|2,0,0]=4 280 B14R2.781 O=C(O)C1=NC2=CC=CC=C2C=N1 BBO000660 [0,0,0,1,0,1|1,0,0]=3 281 B14R2.781 O=C(O)C1=NC=C2C=CC=CC2=C1 CDS000326 [0,0,0,1,0,1|1,0,0]=3 282 B14R2.781 O=C(O)C1C=CC2=C(C1)C=CC=C2 L168726 [0,0,0,1,0,1|1,0,0]=3 283 B14R2.781 O=C(O)C1CCC2=C(O1)C=CC=C2 CDS008154 [0,0,0,1,0,1|0,0,2]=4 284 B14R2.781 O=C(O)[C@@H]1CCC2=CC=CC=C2O1 PH017369 [0,0,0,1,0,1|0,0,2]=4 285 B14R2.781 O=C(O)[C@H]1CCC2=CC=CC=C2O1 PH017370 [0,0,0,1,0,1|0,0,2]=4 286 B14R2.781 O=C([O-])C1=CC2=CC=CC=C2C=C1 R580694 [0,0,0,1,0,1|1,0,1]=4 287 B14R2.781 O=S(O)C1=CC2=C(C=CC=C2)C=C1 S652083 [0,0,0,1,0,1|2,0,0]=4 288 B14R2.8032 O=C(O)C1=CNC2=C(C=CC=C12)Cl CDS005445 [0,0,0,1,0,1|1,0,0]=3 289 B14R2.2 CC(=O)NC1=COC2=C1C=CC=C2 TMT00440 [0,1,0,1,0,0|2,0,0]=4 290 B14R2.2 O=C(O)CC1=NOC2=C1C=CC=C2 L157759 [0,1,0,1,0,0|0,0,1]=3 291 B14R2.450 CC(=O)C1=C(C2=C(O1)C=CC=C2)N T121150 [0,1,0,1,0,0|1,0,0]=3 292 B14R2.450 CC(=O)C1=C(C2=C(S1)C=CC=C2)O S760552 [0,1,0,1,0,0|1,1,0]=4 293 B14R2.450 CC1=C(NC2=CC=CC=C12)C(=O)O CDS002324 [0,1,0,1,0,0|1,0,0]=3 294 B14R2.450 NC1=C(SC2=NC=CC=C12)C(=O)O CDS005324 [0,1,0,1,0,0|1,1,0]=4 295 B14R2.450 O=C(O)C1=C(C2=C([Se]1)C=CC=C2)Br S92909 [0,1,0,1,0,0|0,1,0]=3 296 B14R2.7969 CC1=CC=CC2=C1C=C(N2)C(=O)O CDS008967 [0,1,0,1,0,0|1,0,0]=3 297 B14R2.7969 CC1=CC=CC2=CC(=NN12)C(=O)O PH017185 [0,1,0,1,0,0|2,0,0]=4 298 B14R2.7969 CC1=CC=CC2=NC(=CN12)C(=O)O CDS017477 [0,1,0,1,0,0|2,0,0]=4 299 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2S1)Cl CDS014024 [0,1,0,1,0,0|0,1,0]=3 300 B14R2.7969 O=C(O)C1=CC2=C(N1)C(=CC=C2)O CDS007536 [0,1,0,1,0,0|1,0,0]=3 301 B14R2.7969 O=C(O)C1=CC2=C(N1)C=CC=C2Cl PH000388 [0,1,0,1,0,0|1,0,0]=3 302 B14R2.7969 O=C(O)C1=CC2=CC=CC(=C2N1)Cl CDS002296 [0,1,0,1,0,0|1,0,0]=3 303 B14R2.3129 O=S(=O)(O)C1=CC2=CC=CC=C2O1 PH014366 [0,1,0,1,0,0|1,0,0]=3 304 B14R2.4529 CC1=CC2=C(C=C1)OC(=C2)C(=O)O CDS008857 [0,1,0,1,0,0|0,0,0]=2 305 B14R2.4529 CC1=CC=C2C=C(OC2=C1)C(=O)O T325414 [0,1,0,1,0,0|0,0,0]=2 306 B14R2.4529 CC1=CN2C=C(N=C2C=C1)C(=O)O CBR00218 [0,1,0,1,0,0|2,0,0]=4 307 B14R2.4529 NC1=CC=C2NC(=CC2=C1)C(=O)O CDS018503 [0,1,0,1,0,0|1,0,0]=3 308 B14R2.4529 NC1=CC=C2OC(=CC2=C1)C(=O)O CDS023605 [0,1,0,1,0,0|0,0,0]=2 309 B14R2.4529 O=C(Cl)C1=CC2=CC(=CC=C2N1)Cl PH015253 [0,1,0,1,0,0|2,0,0]=4 310 B14R2.4529 O=C(O)C1=CC2=C(N1)C=C(C=C2)Br CDS006283 [0,1,0,1,0,0|1,0,0]=3 311 B14R2.4529 O=C(O)C1=CC2=C(O1)C=CC(=C2)Br PH006864 [0,1,0,1,0,0|0,0,0]=2 312 B14R2.4529 O=C(O)C1=CC2=CC(=CC=C2S1)Br CDS015148 [0,1,0,1,0,0|0,1,0]=3 313 B14R2.4529 O=C(O)C1=CC2=CC(=CN=C2N1)Br ADE001120 [0,1,0,1,0,0|2,0,0]=4 314 B14R2.4529 O=C(O)C1=CC2=CC(=CN=C2N1)F CDS023558 [0,1,0,1,0,0|2,0,0]=4 315 B14R2.4529 O=C(O)C1=CC2=CC=C(C=C2N1)Cl PH006850 [0,1,0,1,0,0|1,0,0]=3 316 B14R2.4529 O=C(O)C1=CC2=CC=C(C=C2N1)O CDS005384 [0,1,0,1,0,0|1,0,0]=3 317 B14R2.4529 O=C(O)C1=CC2=NC=C(C=C2N1)Cl PHB00203 [0,1,0,1,0,0|2,0,0]=4 318 B14R2.4529 O=C(O)C1=CN2C=C(C=CC2=N1)Cl CDS015211 [0,1,0,1,0,0|2,0,0]=4 319 B14R2.4529 O=C(O)C1=NC2=CC(=CC=C2N1)F CDS022957 [0,1,0,1,0,0|2,0,0]=4 320 B14R2.4529 O=C(O)C1=NC2=CC=C(C=C2N1)F CDS022344 [0,1,0,1,0,0|2,0,0]=4 321 B14R2.4529 O=C(O)C1=NN2C=CC(=CC2=C1)Br PHB00208 [0,1,0,1,0,0|2,0,0]=4 322 B14R2.4529 O=C(O)C1CC2=C(O1)C=CC(=C2)F CDS023496 [0,1,0,1,0,0|0,0,2]=4 323 B14R2.4529 O=C([O-])C1=CC2=C(O1)C=CC(=C2)Br R407798 [0,1,0,1,0,0|0,0,1]=3 324 B14R2.741 O=C1C=CC2=CC=CC=C2C=C1O T276758 [0,1,0,1,0,0|1,0,0]=3 325 B14R2.93 ON=C1C=CC2=CC=CC=C2C=C1 T176516 [0,1,0,1,0,0|2,0,0]=4 326 B14R2.972 CNC(=O)C1=CC2=CC=CC=C2O1 PH008466 [0,1,0,1,0,0|1,0,0]=3 327 B14R2.972 COC(=O)C1=CC2=CC=CN=C2N1 SYX00140 [0,1,0,1,0,0|2,0,0]=4 328 B14R2.972 COC(=O)C1=NN2C=CC=CC2=C1 SYX00139 [0,1,0,1,0,0|2,0,0]=4 329 B14R2.1801 COC1=CC2=C(C=C1)C(=CC=C2)N T153451 [0,1,0,1,0,0|2,0,0]=4 330 B10R1.18 O=C(Cl)SC1=CC=CC=C1 S561231 [1,0,0,0,1,0|2,0,0]=4 331 B10R1.66 CC(=O)/C=C/C1=CC=CN1 L162493 [1,0,0,0,1,0|2,0,0]=4 332 B10R1.66 O=C(O)/C=C/C1=NC=CS1 CDS022230 [1,0,0,0,1,0|2,0,0]=4 333 B10R1.66 O=C([O-])/C=C/C1=CC=CO1 S814792 [1,0,0,0,1,0|1,0,1]=4 334 B10R1.66 O=C([O-])/C=C/C1=CC=CO1 S826022 [1,0,0,0,1,0|1,0,1]=4 335 B10R1.66 O=C([O-])/C=C\C1=CC=CO1 S826030 [1,0,0,0,1,0|1,0,1]=4 336 B10R1.61 CC1=C(C=NC=C1)C(=O)O CDS013547 [0,0,0,0,2,0|2,0,0]=4 337 B10R1.61 CS(=O)C1=CC=CC=C1O CDS005411 [0,0,0,0,2,0|2,0,0]=4 338 B10R1.61 NC1=CC=CN=C1C(=O)O CDS003125 [0,0,0,0,2,0|2,0,0]=4 339 B10R1.61 O=C(O)C1=CC=CC=C1O R156981 [0,0,0,0,2,0|0,0,0]=2 340 B10R1.61 O=C(O)C1=CC=CC=C1O S693014 [0,0,0,0,2,0|0,0,0]=2 341 B10R1.61 O=C(O)C1=CC=NC=C1I CDS008728 [0,0,0,0,2,0|2,0,0]=4 342 B10R1.61 O=C(O)C1=CC=NC=C1O CDS013887 [0,0,0,0,2,0|1,0,0]=3 343 B10R1.61 O=C([O-])C1=C(C=CC=C1)O S171824 [0,0,0,0,2,0|0,0,1]=3 344 B10R1.61 OB(O)C1=CC=CC=C1O CDS000901 [0,0,0,0,2,0|1,0,1]=4 345 B10R1.61 OC1=C(C=CC=C1)C(=S)S R465135 [0,0,0,0,2,0|0,2,0]=4