0 B13R1.589 CC(=O)CC1=C(C=CC=C1)C(=O)O PH014523 [0,0,0,0,0,0|1,0,0]=1 1 B13R1.589 CC(=O)NC1=C(C=CC=C1)C(=O)C PH011163 [0,0,0,0,0,0|2,0,0]=2 2 B13R1.589 CC(=O)OC1=C(C=CC=C1)C(=O)C S928887 [0,0,0,0,0,0|1,0,0]=1 3 B13R1.589 CC(=O)OC1=CC=CC=C1C(=O)N R239674 [0,0,0,0,0,0|1,0,0]=1 4 B13R1.589 CC(=O)OC1=CC=CC=C1C(=O)O CDS014072 [0,0,0,0,0,0|0,0,0]=0 5 B13R1.589 CC(=O)SC1=C(C=CC=C1)C(=O)O PH009656 [0,0,0,0,0,0|0,1,0]=1 6 B13R1.589 CC(C)OC1=CC=CC=C1C(=O)N T309575 [0,0,0,0,0,0|2,0,1]=3 7 B13R1.589 O=C(O)C1=C(C=CC=C1)OC(F)F CDS004515 [0,0,0,0,0,0|2,0,1]=3 8 B12R1.75 C(=O)C1=C(C=CC=C1)OC(=O)C R252476 [1,0,0,0,0,0|0,0,0]=1 9 B12R1.75 C(=O)C1=C(C=CC=C1)OC(C)C CDS002654 [1,0,0,0,0,0|1,0,1]=3 10 B12R1.75 CC(=O)NC1=CC=CC=C1C#N S192295 [1,0,0,0,0,0|2,0,1]=4 11 B12R1.75 CC(=O)OC1=CC=CC=C1C#N PH000056 [1,0,0,0,0,0|1,0,1]=3 12 B12R1.75 CC(C)OC1=NC=CC=C1C=O CDS001077 [1,0,0,0,0,0|2,0,1]=4 13 B12R1.75 CCC1=C(C=CC=C1)NC(=O)C S764914 [1,0,0,0,0,0|2,0,1]=4 14 B12R1.75 CN(C)CC1=CC=CC=C1C=O CDS011836 [1,0,0,0,0,0|3,0,0]=4 15 B12R1.75 CSC1=C(C=CC=C1)NC(=O)C PH003618 [1,0,0,0,0,0|3,0,0]=4 16 B12R1.283 C=CCC1=CC=CC=C1C(=O)O CDS019640 [1,0,0,0,0,0|1,0,1]=3 17 B12R1.283 CCNC1=CC=CC=C1C(=O)O S668524 [1,0,0,0,0,0|1,0,1]=3 18 B12R1.283 CCOC1=C(C=CC=N1)C(=O)O PH011276 [1,0,0,0,0,0|1,0,1]=3 19 B12R1.283 N#CCC1=CC=CC=C1C(=O)O CDS017971 [1,0,0,0,0,0|2,0,1]=4 20 B12R1.283 O=CNC1=C(C=CC=C1)[N+](=O)[O-] S636142 [1,0,0,0,0,0|2,0,1]=4 21 B12R1.283 O=CNC1=CC=CC=C1C(=O)O S636886 [1,0,0,0,0,0|1,0,0]=2 22 B14R1.164 CC(=O)NC1=C(C=CC(=C1)Cl)[N+](=O)[O-] S715204 [0,1,0,0,0,0|2,0,1]=4 23 B14R1.164 CC(=O)NC1=C(C=CC(=C1)O)[N+](=O)[O-] L161918 [0,1,0,0,0,0|2,0,1]=4 24 B14R1.164 CC(=O)NC1=CC(=CC=C1C(=O)O)Cl PH009780 [0,1,0,0,0,0|1,0,0]=2 25 B14R1.164 CC(=O)OC1=CC(=CC=C1C(=O)O)Br PH005357 [0,1,0,0,0,0|0,0,0]=1 26 B14R1.164 CC(=O)OC1=CC(=CC=C1C(=O)O)Cl PH009409 [0,1,0,0,0,0|0,0,0]=1 27 B14R1.429 CC(=O)N(C)C1=CC=CC=C1C(=O)O T314110 [0,1,0,0,0,0|1,0,0]=2 28 B14R1.429 CN(C)C(=O)C1=C(C=CC=C1)C(=O)O PH010736 [0,1,0,0,0,0|3,0,0]=4 29 B14R1.744 CC(=O)NC1=CC=CC=C1C(=O)NN S647500 [0,1,0,0,0,0|2,0,0]=3 30 B14R1.744 CCC(=O)C1=C(C=CC=C1)NC(=O)C S742821 [0,1,0,0,0,0|2,0,0]=3 31 B14R1.815 CC(=O)NC1=CC=CC=C1S(=O)(=O)[O-] S714542 [0,1,0,0,0,0|2,0,1]=4 32 B14R1.3302 C/C(=N\C1=CC=CC=C1C(=O)O)/NO PH001074 [0,1,0,0,0,0|1,0,1]=3 33 B14R1.3302 CC(=O)C1=C(C=CC=C1)NC(=O)CBr R818062 [0,1,0,0,0,0|2,0,0]=3 34 B14R1.3302 CC(=O)C1=C(C=CC=C1)NC(=O)CCl R996475 [0,1,0,0,0,0|2,0,0]=3 35 B14R1.3302 CCC(=O)NC1=C(C=CC=C1)C(=O)O PH010001 [0,1,0,0,0,0|1,0,0]=2 36 B14R1.3302 COC(=O)CC1=C(C=CC=C1)[N+](=O)[O-] PH004629 [0,1,0,0,0,0|2,0,1]=4 37 B14R1.3302 COC(=O)NC1=C(C=CC=C1)[N+](=O)[O-] PH007967 [0,1,0,0,0,0|2,0,1]=4 38 B14R1.3302 NC(=O)C1=CC=CC=C1NC(=O)CCl S718092 [0,1,0,0,0,0|2,0,0]=3 39 B14R1.3302 O=C(CCl)NC1=C(C=CC=C1)C(=O)O R996491 [0,1,0,0,0,0|1,0,0]=2 40 B14R1.3302 O=C(CCl)NC1=C(C=CC=C1)[N+](=O)[O-] S188999 [0,1,0,0,0,0|2,0,1]=4 41 B14R1.3302 O=C(CCl)NC1=C(C=CC=C1)[N+](=O)[O-] S417327 [0,1,0,0,0,0|2,0,1]=4 42 B14R1.3302 O=C(CCl)OC1=CC=CC=C1C(=O)O PH008891 [0,1,0,0,0,0|0,0,0]=1 43 B14R1.4894 CC(=O)NC1=C(C=CC=C1Cl)C(=O)O PH010788 [0,1,0,0,0,0|1,0,0]=2 44 B14R1.4894 CC(=O)NC1=C(C=CC=C1[N+](=O)[O-])C S500526 [0,1,0,0,0,0|2,0,1]=4 45 B14R1.4894 CC(=O)OC1=C(C=CC=C1C(=O)O)C S376647 [0,1,0,0,0,0|0,0,0]=1 46 B14R1.4894 CC(=O)OC1=C(C=CC=C1[N+](=O)[O-])C S680214 [0,1,0,0,0,0|1,0,1]=3 47 B14R1.6074 CC(=O)NC1=C(C=C(C=C1)Br)[N+](=O)[O-] S172081 [0,1,0,0,0,0|2,0,1]=4 48 B14R1.6074 CC(=O)NC1=C(C=C(C=C1)Br)[N+](=O)[O-] S614718 [0,1,0,0,0,0|2,0,1]=4 49 B14R1.6074 CC(=O)NC1=C(C=C(C=C1)C)[N+](=O)[O-] S615064 [0,1,0,0,0,0|2,0,1]=4 50 B14R1.6074 CC(=O)NC1=C(C=C(C=C1)Cl)[N+](=O)[O-] S987042 [0,1,0,0,0,0|2,0,1]=4 51 B14R1.6074 CC(=O)NC1=CC=C(C=C1C(=O)O)Br R416126 [0,1,0,0,0,0|1,0,0]=2 52 B14R1.6074 CC(=O)NC1=CC=C(C=C1C(=O)O)Br R435422 [0,1,0,0,0,0|1,0,0]=2 53 B14R1.6074 CC(=O)NC1=CC=C(C=C1C(=O)O)C PH011154 [0,1,0,0,0,0|1,0,0]=2 54 B14R1.6074 CC(=O)NC1=CC=C(C=C1C(=O)O)Cl PH011235 [0,1,0,0,0,0|1,0,0]=2 55 B14R1.6074 CC(=O)OC1=CC=C(C=C1C(=O)O)Br PH010875 [0,1,0,0,0,0|0,0,0]=1 56 B14R1.6074 CC(=O)OC1=CC=C(C=C1C(=O)O)Cl CBR00073 [0,1,0,0,0,0|0,0,0]=1 57 B14R1.6074 CC(=O)OC1=CC=C(C=C1C(=O)O)I PH001951 [0,1,0,0,0,0|0,0,0]=1 58 B14R1.6074 CC(C)OC1=CC=C(C=C1C(=O)O)Br L254924 [0,1,0,0,0,0|1,0,1]=3 59 B14R1.6074 CC(C)OC1=CC=C(C=C1C(=O)O)Cl L254894 [0,1,0,0,0,0|1,0,1]=3 60 B14R1.6074 NC(=O)NC1=C(C=C(C=C1)Cl)C(=O)O PH010699 [0,1,0,0,0,0|2,0,0]=3 61 B14R1.6074 O=C(O)CC1=CC=C(C=C1C(=O)O)Cl PH011318 [0,1,0,0,0,0|2,0,0]=3 62 B14R2.287 O=C1CCC(=O)C2=CC=CC=C2N1 PH006911 [0,0,0,1,0,0|2,0,0]=3 63 B14R2.712 O=C1CC2=C(N1)C(=CC=C2)C(=O)O CDS015443 [0,0,0,1,0,0|1,0,0]=2 64 B14R2.8189 O=C1CS(=O)(=O)C2=C(N1)C=CC=C2 PH000428 [0,0,0,1,0,0|2,0,1]=4 65 B14R2.29496 CC1(CC(=O)C2=C(O1)C=CC=C2)C PH009909 [0,0,0,1,0,0|2,0,1]=4 66 B14R2.29496 CC1(NC(=O)C2=CC=CC=C2O1)C PH001950 [0,0,0,1,0,0|2,0,1]=4 67 B12R1.261 CC(C)C1=CC=CC=C1C(=O)O CDS021442 [0,0,0,0,1,0|1,0,1]=3 68 B12R1.261 CS(=O)C1=C(C=CC=C1)B(O)O CDS021923 [0,0,0,0,1,0|2,0,1]=4 69 B12R1.261 NC(=O)C1=CC=CC=C1B(O)O CDS006024 [0,0,0,0,1,0|2,0,1]=4 70 B12R1.261 NC(=O)C1=CC=CC=C1C(=O)N S354791 [0,0,0,0,1,0|2,0,0]=3 71 B12R1.261 NC(=O)C1=CC=CC=C1C(=O)[O-] L132101 [0,0,0,0,1,0|1,0,1]=3 72 B12R1.261 O=C(O)C1=CC=CC=C1B(O)O CDS004617 [0,0,0,0,1,0|2,0,1]=4 73 B12R1.261 O=C(O)C1=CC=CC=C1S(=O)O S986054 [0,0,0,0,1,0|2,0,0]=3 74 B12R1.392 O=C(O)CC1=C(C=CO1)C(=O)O S756830 [0,0,0,0,1,0|3,0,0]=4 75 B14R1.814 CC(=O)NC1=C(C=CC=C1)NC(=O)C S818011 [0,0,0,0,0,1|2,0,0]=3 76 B14R1.814 CC(=O)NC1=C(C=CC=C1)OC(=O)C S586889 [0,0,0,0,0,1|1,0,0]=2 77 B14R1.4522 CC(=NNC1=CC=CC=C1C(=O)O)C PH009317 [0,0,0,0,0,1|2,0,0]=3 78 B14R1.4522 CC(=O)C1=CC=CC=C1OCC(=O)O CDS005202 [0,0,0,0,0,1|2,0,0]=3 79 B14R1.4522 CC(=O)COC1=CC=CC=C1[N+](=O)[O-] KOB0105 [0,0,0,0,0,1|1,0,1]=3 80 B14R1.4522 CC(=O)NNC1=C(C=CC=C1)[N+](=O)[O-] S335614 [0,0,0,0,0,1|2,0,1]=4 81 B14R1.4522 CC(C)CSC1=CC=CC=C1C(=O)O L255866 [0,0,0,0,0,1|1,1,1]=4 82 B14R1.4522 CN(C)/N=N/C1=C(C=CC=C1)C(=O)O S240893 [0,0,0,0,0,1|3,0,0]=4 83 B14R1.4522 CN(C)/N=N/C1=C(C=CC=C1)C(=O)O S312401 [0,0,0,0,0,1|3,0,0]=4 84 B14R1.4522 CN(C)/N=N/C1=C(C=CC=C1)C(=O)O S618977 [0,0,0,0,0,1|3,0,0]=4 85 B14R1.4522 NC(=O)C1=C(C=CC=C1)OCC(=O)O PH011628 [0,0,0,0,0,1|2,0,0]=3 86 B14R1.4522 NC(=O)COC1=C(C=CC=C1)[N+](=O)[O-] EME00146 [0,0,0,0,0,1|2,0,1]=4 87 B14R1.4522 O=C(O)CNC1=C(C=CC=C1)C(=O)O S953318 [0,0,0,0,0,1|2,0,0]=3 88 B14R1.4522 O=C(O)COC1=C(C=CC=C1)C(=O)O PH006787 [0,0,0,0,0,1|1,0,0]=2 89 B14R1.4522 O=C(O)CSC1=C(C=CC=C1)C(=O)O PH005164 [0,0,0,0,0,1|1,1,0]=3 90 B11R1.86 CC(=O)CC1=CC=CC=C1Br CDS003545 [2,0,0,0,0,0|2,0,0]=4 91 B11R1.86 CC(=O)NC1=C(C=CC=C1)C S554383 [2,0,0,0,0,0|1,0,1]=4 92 B11R1.86 CC(=O)NC1=C(C=CN=C1)O ADE000679 [2,0,0,0,0,0|2,0,0]=4 93 B11R1.86 CC(=O)NC1=C(C=NC=C1)O ADE000677 [2,0,0,0,0,0|2,0,0]=4 94 B11R1.86 CC(=O)NC1=CC=CN=C1O ADE000688 [2,0,0,0,0,0|2,0,0]=4 95 B11R1.86 CC(=O)NC1=NC=CC=C1O ADE000678 [2,0,0,0,0,0|2,0,0]=4 96 B11R1.86 CC(=O)OC1=C(C=CC=C1)I KOB0112 [2,0,0,0,0,0|1,0,0]=3 97 B11R1.86 CC(=O)ON1C=CC=CC1=O T301086 [2,0,0,0,0,0|1,0,0]=3 98 B11R1.86 NC(=O)CC1=CC=CC=C1O S668982 [2,0,0,0,0,0|2,0,0]=4 99 B11R1.86 NC(=O)OC1=CC=CC=C1Cl PH009081 [2,0,0,0,0,0|2,0,0]=4 100 B11R1.53 C=CC1=CC=CC=C1C(=O)O CDS020003 [2,0,0,0,0,0|0,0,1]=3 101 B11R1.53 CNC1=C(C=CC=C1)C(=O)N CDS003164 [2,0,0,0,0,0|2,0,0]=4 102 B11R1.53 CNC1=C(C=CC=C1)C(=O)O PH010971 [2,0,0,0,0,0|1,0,0]=3 103 B11R1.53 CNC1=CC=CC=C1C(=O)O R462381 [2,0,0,0,0,0|1,0,0]=3 104 B11R1.53 COC1=C(C=NC=N1)C(=O)O CDS021376 [2,0,0,0,0,0|2,0,0]=4 105 B11R1.53 COC1=CC=CC=C1C(=N)N PH017180 [2,0,0,0,0,0|2,0,0]=4 106 B11R1.53 COC1=CC=CC=C1C(=O)N S534935 [2,0,0,0,0,0|1,0,0]=3 107 B11R1.53 COC1=NC=CN=C1C(=O)O CDS021111 [2,0,0,0,0,0|2,0,0]=4 108 B11R1.53 O=C(O)C1=CC=CC=C1CO PH003279 [2,0,0,0,0,0|0,0,2]=4 109 B13R1.91 CNC(=O)OC1=C(C=CC=C1)OC PH009207 [1,1,0,0,0,0|2,0,0]=4 110 B13R1.141 CCNC1=C(C=C(C=C1)Cl)C(=O)O PH011281 [1,1,0,0,0,0|1,0,1]=4 111 B13R1.141 CCOC1=CC=C(C=C1C(=O)O)Br L254967 [1,1,0,0,0,0|0,0,1]=3 112 B13R1.141 CCOC1=CC=C(C=C1C(=O)O)Cl L255238 [1,1,0,0,0,0|0,0,1]=3 113 B13R1.572 C#CCOC1=C(C=CC=C1)C(=O)O KOB0078 [1,1,0,0,0,0|0,0,2]=4 114 B13R1.572 C=CCOC1=CC=CC=C1C(=O)N S380326 [1,1,0,0,0,0|1,0,1]=4 115 B13R1.572 C=CCSC1=CC=CC=C1C(=O)O PH010180 [1,1,0,0,0,0|0,1,1]=4 116 B13R1.572 CCCOC1=C(C=CC=C1)C(=O)N PH011074 [1,1,0,0,0,0|1,0,1]=4 117 B13R1.572 CCCOC1=CC=CN=C1C(=O)O CDS000097 [1,1,0,0,0,0|1,0,1]=4 118 B13R1.572 CCCSC1=CC=CC=C1C(=O)O L255165 [1,1,0,0,0,0|0,1,1]=4 119 B13R1.2897 CCOC1=C(C(=CC=N1)C)C(=O)O CDS021419 [1,1,0,0,0,0|1,0,1]=4 120 B13R1.165 CC(=O)C1=C(C=CC(=C1)C)[N+](=O)[O-] UPL0035 [0,1,0,0,1,0|1,0,1]=4 121 B13R1.165 CC(=O)C1=C(C=CC(=C1)Cl)[N+](=O)[O-] PH005168 [0,1,0,0,1,0|1,0,1]=4 122 B13R1.165 CC(=O)C1=CC(=CC=C1S(=O)C)C S707120 [0,1,0,0,1,0|2,0,0]=4 123 B13R1.165 NC1=CC(=C(C=C1)C(=O)O)[N+](=O)[O-] R397393 [0,1,0,0,1,0|2,0,0]=4 124 B13R1.165 O=C(O)C1=C(C=CC(=C1)O)[N+](=O)[O-] PH000057 [0,1,0,0,1,0|2,0,0]=4 125 B13R1.165 O=C(O)C1=CC=C(C=C1C(=O)O)Br PH011212 [0,1,0,0,1,0|1,0,0]=3 126 B13R1.295 CC(=O)C1=C(C=CC=C1[N+](=O)[O-])C PH008035 [0,1,0,0,1,0|1,0,1]=4 127 B13R1.295 CC(=O)C1=CC=CC(=C1[N+](=O)[O-])N PH008296 [0,1,0,0,1,0|1,0,1]=4 128 B13R1.295 NC1=CC=CC(=C1C(=O)O)[N+](=O)[O-] CDS004205 [0,1,0,0,1,0|2,0,0]=4 129 B13R1.349 O=C(O)C1=CC=CC=C1S(=O)(=O)[O-] S837350 [0,1,0,0,1,0|2,0,0]=4 130 B15R1.3845 CCC(=O)NC1=C(C=CC=C1)OC(=O)C S528609 [0,1,0,0,0,1|1,0,0]=3 131 B15R1.5836 CC(=O)NC1=C(C=C(C=C1)C)NC(=O)C PH009206 [0,1,0,0,0,1|2,0,0]=4 132 B15R1.9074 CS(=O)(=O)NC1=CC=CC=C1CC(=O)O CDS023401 [0,1,0,0,0,1|2,0,0]=4 133 B15R1.985 C/C(=N\O)/C1=CC=CC=C1OCC(=O)O R948713 [0,1,0,0,0,1|2,0,0]=4 134 B15R1.985 CCC(=O)C1=C(C=CC=C1)OCC(=O)O S236047 [0,1,0,0,0,1|2,0,0]=4 135 B15R1.985 COC(=O)C1=C(C=CC=C1)NCC(=O)O R871249 [0,1,0,0,0,1|2,0,0]=4 136 B15R1.1108 COC(=O)COC1=C(C=CC=C1)C(=O)C PH010754 [0,1,0,0,0,1|1,0,0]=3 137 B15R1.1108 COC(=O)COC1=C(C=CC=C1)[N+](=O)[O-] R703370 [0,1,0,0,0,1|1,0,1]=4 138 B15R1.5509 CN(CC(=O)O)C1=CC=CC=C1C(=O)O R396672 [0,1,0,0,0,1|2,0,0]=4 139 B15R1.8265 CC(=O)C1=C(C=CC=C1OCC(=O)O)O PH009639 [0,1,0,0,0,1|2,0,0]=4 140 B15R1.8265 O=C(O)CNC1=C(C(=CC=C1)Cl)C(=O)O S337188 [0,1,0,0,0,1|2,0,0]=4 141 B15R1.8415 CC(C)COC1=CC=C(C=C1C(=O)O)Cl L255297 [0,1,0,0,0,1|1,0,1]=4 142 B15R1.8875 CC(NC1=C(C=CC=C1)C(=O)O)C(=O)O S306517 [0,1,0,0,0,1|2,0,0]=4 143 B15R1.8875 CC(SC1=CC=CC=C1C(=O)O)C(=O)O PH010559 [0,1,0,0,0,1|1,1,0]=4 144 B15R1.810 CCCC(=O)C1=C(C=CC=C1)NC(=O)C S731358 [0,2,0,0,0,0|2,0,0]=4 145 B15R1.810 CCOC(=O)C1=CC=CC=C1NC(=O)C R591637 [0,2,0,0,0,0|1,0,0]=3 146 B15R1.925 COC(=O)C1=CC(=CC=C1NC(=O)C)I L168041 [0,2,0,0,0,0|1,0,0]=3 147 B15R1.925 COC(=O)C1=CC(=CC=C1OC(=O)C)Cl PH000782 [0,2,0,0,0,0|0,0,0]=2 148 B15R1.3847 CNC(=O)NC1=C(C=CC=C1)C(=O)OC PH007951 [0,2,0,0,0,0|1,0,0]=3 149 B15R1.3847 COC(=O)C1=C(C=CC=C1)NC(=O)CBr R818046 [0,2,0,0,0,0|1,0,0]=3 150 B15R1.3847 COC(=O)C1=C(C=CC=C1)NC(=O)CI L318973 [0,2,0,0,0,0|1,0,0]=3 151 B15R1.3847 COC(=O)C1=CC=CC=C1NC(=O)CCl S376604 [0,2,0,0,0,0|1,0,0]=3 152 B15R1.11372 COC(=O)C1=CC=CC=C1NS(=O)(=O)C PH010372 [0,2,0,0,0,0|2,0,0]=4 153 B15R1.1274 CCOC(=O)CC1=C(C=CC=C1)C(=O)O PH008827 [0,2,0,0,0,0|1,0,0]=3 154 B15R1.1274 N#CCC(=O)NC1=CC=CC=C1C(=O)O S622265 [0,2,0,0,0,0|1,0,0]=3 155 B15R1.1274 O=C(CCCl)NC1=C(C=CC=C1)C(=O)O R592978 [0,2,0,0,0,0|1,0,0]=3 156 B15R1.2996 CNC(=O)OC1=CC=C(C=C1[N+](=O)[O-])Cl PH009072 [0,2,0,0,0,0|1,0,1]=4 157 B15R1.2996 O=C(CCl)NC1=C(C=C(C=C1)I)C(=O)O S720372 [0,2,0,0,0,0|1,0,0]=3 158 B15R1.2996 O=C(CCl)NC1=CC=C(C=C1C(=O)O)Cl S916676 [0,2,0,0,0,0|1,0,0]=3 159 B15R1.40363 COC(=O)OC1=C(C=CC=C1[N+](=O)[O-])C R127736 [0,2,0,0,0,0|1,0,1]=4 160 B15R1.8456 O=C(O)CC1=CC=C(C(=C1C(=O)O)O)O T121002 [0,2,0,0,0,0|2,0,0]=4 161 B15R1.1927 COC1=CC(=C(C=C1)CC(=O)O)C(=O)O S168297 [0,2,0,0,0,0|2,0,0]=4 162 B13R1.13 CC(=O)C1=CC(=CC=C1O)C(=O)O PH000237 [0,0,1,1,0,0|2,0,0]=4 163 B13R2.328 CC1=CC(=O)OC2=C1C=CC=C2 S97102 [1,0,0,1,0,0|1,0,1]=4 164 B13R2.328 NC1=CC(=O)OC2=C1C=CC=C2 S732184 [1,0,0,1,0,0|1,0,1]=4 165 B13R2.328 O=C1C=C(C2=CC=CC=C2N1)O CDS019926 [1,0,0,1,0,0|1,0,1]=4 166 B13R2.328 [NH+]1=C(C2=C(C=CC=C2)N=C1C)O R663514 [1,0,0,1,0,0|2,0,0]=4 167 B13R2.5569 O=C(O)C1=C2OCOC2=CC=C1 CDS015304 [1,0,0,1,0,0|0,0,2]=4 168 B13R2.5569 O=C(O)C1=CC=CC2=C1NC=C2 PH006856 [1,0,0,1,0,0|1,0,1]=4 169 B13R2.371 CC1=NNC(=O)C2=CC=CC=C12 S246468 [0,0,0,1,1,0|2,0,0]=4 170 B13R2.12159 O=C1CS(=O)(=O)C2=CC=CC=C12 PH010369 [0,0,0,1,1,0|1,0,1]=4 171 B15R2.988 CC1=NC2=C(C=CC=C2)C(=C1)C(=O)O S243949 [0,0,0,1,0,1|2,0,0]=4 172 B15R2.988 O=C1C=C(C2=CC=CC=C2N1)C(=O)O CDS019980 [0,0,0,1,0,1|1,0,1]=4 173 B15R2.988 O=C1CC(C2=CC=CC=C2N1)C(=O)O T324027 [0,0,0,1,0,1|1,0,0]=3 174 B15R2.14951 O=C(O)C1=CC2=C(C=CC=C2)C(=O)O1 PH004894 [0,0,0,1,0,1|2,0,0]=4 175 B15R2.53147 CC(C)OC1OC(=O)C2=C1C=CC=C2 S662623 [0,0,0,1,0,1|1,0,1]=4 176 B15R2.53147 O=C(O)/C=C/1\OC(=O)C2=C1C=CC=C2 S449504 [0,0,0,1,0,1|2,0,0]=4 177 B15R2.53147 O=C(O)CC1OC(=O)C2=C1C=CC=C2 PH011453 [0,0,0,1,0,1|2,0,0]=4 178 B15R2.7340 CN1C(=O)CNC(=O)C2=CC=CC=C12 PH010463 [0,1,0,1,0,0|2,0,0]=4 179 B15R2.24965 CC(=O)N1C2=CC=CC=C2C(=O)C1C T313262 [0,1,0,1,0,0|2,0,0]=4 180 B15R2.45730 CN1C(=O)OC2=C1C=CC=C2C(=O)O CDS021406 [0,1,0,1,0,0|0,0,0]=2 181 B15R2.45730 N1C(=C(C2=C1C(=CC=C2)C(=O)O)C)C S760587 [0,1,0,1,0,0|2,0,0]=4 182 B15R2.45730 O=C(O)C1=CC=CC2=C1NC(=O)C2=O CDS017196 [0,1,0,1,0,0|1,0,1]=4 183 B15R2.383 CC(=O)N1C=C(C2=CC(=CC=C12)Br)O PH009873 [0,1,0,1,0,0|2,0,0]=4 184 B15R2.7332 O=C1CNC(=O)C2=C(N1)C=CC(=C2)Cl S661791 [0,1,0,1,0,0|2,0,0]=4 185 B11R1.193 CCOC1=C(SC=C1)C(=O)O CDS013881 [1,0,0,0,1,0|1,0,1]=4 186 B11R1.193 O=CNC1=C(C=CS1)C(=O)O S935344 [1,0,0,0,1,0|2,0,0]=4 187 B11R1.178 CC(=O)C1=CNC=C1C(=O)C L165220 [0,0,0,0,2,0|2,0,0]=4 188 B13R1.90 CC(=O)COC1=CC=CC=C1C#N R299871 [1,0,0,0,0,1|1,0,1]=4 189 B13R1.90 CC(C)COC1=CC=CC=C1C=O CDS020892 [1,0,0,0,0,1|1,0,1]=4 190 B13R1.587 CC(=O)NC1=CN=CC(=C1)C(=O)O CDS004097 [0,0,0,0,1,1|2,0,0]=4 191 B13R1.587 CC(=O)NC1=NC=CC(=C1)C(=O)O ADE000361 [0,0,0,0,1,1|2,0,0]=4 192 B13R1.587 CC(=O)OC1=CC=CC(=C1)C(=S)N BOG00004 [0,0,0,0,1,1|1,1,0]=4 193 B15R1.5914 CC(=O)COC1=C(C=CC=C1)NC(=O)C S381101 [0,0,0,0,0,2|1,0,0]=3 194 B15R1.5914 CC(=O)NC1=CC=CC=C1OCC(=O)O TMT00578 [0,0,0,0,0,2|1,0,0]=3 195 B15R1.5914 CC(=O)OCC1=C(C=CC=N1)OC(=O)C S357189 [0,0,0,0,0,2|2,0,0]=4 196 B15R1.5914 O=C(O)CSC1=CC=CC=C1CC(=O)O PH009449 [0,0,0,0,0,2|1,1,0]=4 197 B15R1.8882 NC(=O)N/N=C/C1=CC=CC=C1C(=O)O PH007057 [0,0,0,0,0,2|2,0,0]=4