0 B12R1.258 CC(=O)C1=CC=CC(=N1)C(=O)O CDS021061 [0,0,0,0,0,0|1,0,0]=1 1 B12R1.258 CC(C)C1=NC(=CC=N1)C(=O)O CBR00061 [0,0,0,0,0,0|3,0,1]=4 2 B12R1.258 NC(=O)C1=CC=CC(=C1)C(=O)O CDS011144 [0,0,0,0,0,0|2,0,0]=2 3 B12R1.258 NC(=S)C1=CC=CC(=N1)C(=S)N S520616 [0,0,0,0,0,0|2,2,0]=4 4 B12R1.258 O=C(O)C1=CC(=CC=C1)[N+](=O)[O-] S286281 [0,0,0,0,0,0|2,0,1]=3 5 B12R1.258 O=C([O-])C1=CC=CC(=C1)[N+](=O)[O-] R276456 [0,0,0,0,0,0|2,0,2]=4 6 B11R1.266 COC1=CC=CC(=N1)C(=O)N ADE000351 [1,0,0,0,0,0|3,0,0]=4 7 B11R1.266 N#CC1=CC=CC(=N1)C(=O)O CDS021105 [1,0,0,0,0,0|1,0,1]=3 8 B11R1.266 NNC1=CC(=CC=C1)C(=O)O CDS001221 [1,0,0,0,0,0|3,0,0]=4 9 B11R1.266 O=C(O)C1=CC=CC(=C1)CBr OTV000175 [1,0,0,0,0,0|2,0,1]=4 10 B11R1.266 O=C(O)C1=CC=CC(=C1)[Hg]Cl S881821 [1,0,0,0,0,0|3,0,0]=4 11 B11R1.266 O=CC1=NC(=CC=C1)C(=O)O CDS023380 [1,0,0,0,0,0|0,0,0]=1 12 B13R1.13 CC(=O)C1=CC(=CC=C1O)C(=O)O PH000237 [0,1,0,0,0,0|2,0,0]=3 13 B13R1.13 NC1=C(C=C(C=C1)C(=O)O)C(=O)O PH010296 [0,1,0,0,0,0|1,0,0]=2 14 B13R1.13 NC1=NC=C(C=C1C(=O)O)C(=O)O PH014259 [0,1,0,0,0,0|2,0,0]=3 15 B13R1.13 O=C(O)C1=CC=C(C(=C1)B(O)O)Cl BML00167 [0,1,0,0,0,0|2,0,1]=4 16 B13R1.126 NC(=O)C1=CC(=CC(=N1)C(=O)N)Cl PH003002 [0,1,0,0,0,0|2,0,0]=3 17 B13R1.126 NC1=CC(=CC(=C1)[N+](=O)[O-])C(=O)O S722359 [0,1,0,0,0,0|2,0,1]=4 18 B13R1.126 O=C(O)C1=CC(=CC(=C1)Cl)[N+](=O)[O-] PH011217 [0,1,0,0,0,0|2,0,1]=4 19 B13R1.126 O=C1C=C(OC(=C1)C(=O)O)C(=O)[O-] S418668 [0,1,0,0,0,0|1,0,1]=3 20 B13R1.345 CC(C)(O)C1=CC=CC(=C1)C(=O)O PH017372 [0,1,0,0,0,0|2,0,1]=4 21 B13R1.345 CS(=O)(=O)C1=CC(=CC=C1)C(=O)O CDS004817 [0,1,0,0,0,0|2,0,1]=4 22 B13R1.345 NS(=O)(=O)C1=CC=CC(=C1)C(=O)O CDS011670 [0,1,0,0,0,0|2,0,1]=4 23 B13R1.345 O=C(O)C1=CC(=CC=C1)P(=O)(O)O S311553 [0,1,0,0,0,0|2,0,0]=3 24 B13R1.543 COC(=O)C1=CC=CC(=C1)C(=N)N PH015012 [0,1,0,0,0,0|3,0,0]=4 25 B13R1.543 COC(=O)C1=CC=CC(=C1)C(=O)N PH014534 [0,1,0,0,0,0|2,0,0]=3 26 B13R1.543 O=C(O)C1=CC=CC(=C1)C(=O)CBr CDS004228 [0,1,0,0,0,0|2,0,0]=3 27 B13R1.3801 O=C(O)C1=CC=CC(=[N+]1[O-])C(=O)O PH009833 [0,1,0,0,0,0|0,0,1]=2 28 B11R1.175 CC(=O)C1=CC=C(O1)C(=O)O PH008438 [0,0,0,0,1,0|2,0,0]=3 29 B11R1.175 CC(=O)C1=CC=C(S1)C(=O)C S223840 [0,0,0,0,1,0|3,0,0]=4 30 B11R1.175 O=C(O)C1=CC=C(O1)B(O)O CDS022077 [0,0,0,0,1,0|2,0,1]=4 31 B11R1.175 O=C(O)C1=CC=C(S1)B(O)O CDS004504 [0,0,0,0,1,0|2,0,1]=4 32 B11R1.175 O=C([O-])C1=CC=C(S1)C(=O)[O-] R257745 [0,0,0,0,1,0|1,0,2]=4 33 B11R1.178 CC(=O)C1=CNC=C1C(=O)C L165220 [0,0,0,0,1,0|3,0,0]=4 34 B11R1.178 O=C(O)C1=C(C=CS1)B(O)O CDS005028 [0,0,0,0,1,0|2,0,1]=4 35 B11R1.178 O=C(O)C1=C(CCC1)C(=O)O S926728 [0,0,0,0,1,0|0,0,3]=4 36 B11R1.178 O=C(O)C1=C(COC1)C(=O)O T187836 [0,0,0,0,1,0|1,0,2]=4 37 B13R1.587 CC(=O)NC1=CN=CC(=C1)C(=O)O CDS004097 [0,0,0,0,0,1|3,0,0]=4 38 B13R1.587 CC(=O)NC1=NC=CC(=C1)C(=O)O ADE000361 [0,0,0,0,0,1|3,0,0]=4 39 B10R1.113 CC(=O)C1=CC=CC(=N1)C CDS003228 [2,0,0,0,0,0|1,0,1]=4 40 B10R1.113 CC1=NC(=CC=N1)C(=O)O CBR01666 [2,0,0,0,0,0|1,0,1]=4 41 B10R1.113 NC(=O)C1=CC=CC(=N1)Cl MNO000062 [2,0,0,0,0,0|2,0,0]=4 42 B10R1.113 O=C(O)C1=CC(=NC=C1)O CDS003015 [2,0,0,0,0,0|2,0,0]=4 43 B10R1.113 O=C(O)C1=NC(=CC=C1)I ADE000333 [2,0,0,0,0,0|1,0,0]=3 44 B10R1.113 O=C(O)C1=NC=CC(=C1)O CDS005228 [2,0,0,0,0,0|2,0,0]=4 45 B10R1.113 O=C1C=CC=C(O1)C(=O)O CDS020731 [2,0,0,0,0,0|1,0,0]=3 46 B10R1.172 O=CC1=NC(=CC=C1)CO CDS023357 [2,0,0,0,0,0|0,0,1]=3 47 B12R1.56 COC1=NC(=CC=C1Br)C(=O)O CDS023922 [1,1,0,0,0,0|2,0,0]=4 48 B12R1.56 NC(=O)C1=CC=C(C(=C1)C=O)F PH018747 [1,1,0,0,0,0|2,0,0]=4 49 B12R1.279 CC(=O)C1=CC=CC(=C1)NC=O S921661 [1,1,0,0,0,0|2,0,0]=4 50 B12R1.279 COCC1=CC=CC(=C1)C(=O)O CDS011694 [1,1,0,0,0,0|1,0,1]=4 51 B12R1.435 COC(=O)C1=CC=CC(=N1)CBr CDS021944 [1,1,0,0,0,0|1,0,1]=4 52 B12R1.435 COC(=O)C1=CC=CC(=N1)CN CDS022894 [1,1,0,0,0,0|1,0,1]=4 53 B12R1.440 N=CC1=C(C(=CC=C1)C(=O)O)O S172464 [1,1,0,0,0,0|2,0,0]=4 54 B12R1.850 CC1=NC(=C(N1)C(=O)O)C(=O)O PH004200 [0,1,0,0,1,0|2,0,0]=4 55 B14R1.676 CC(=O)NC1=C(C=CC(=C1)C(=O)O)C S454893 [0,1,0,0,0,1|2,0,0]=4 56 B14R1.676 CC(=O)OC1=C(C=CC(=C1)C(=O)O)F CVT00072 [0,1,0,0,0,1|2,0,0]=4 57 B14R1.733 COC(=O)C1=CC(=CC=C1)NC(=O)N EME00276 [0,1,0,0,0,1|2,0,0]=4 58 B14R1.733 COC(=O)C1=CC=CC(=C1)CC(=O)C PH016726 [0,1,0,0,0,1|2,0,0]=4 59 B14R1.3301 COC(=O)CC1=CC=CC(=C1)C(=O)C PH016307 [0,1,0,0,0,1|2,0,0]=4 60 B14R1.680 O=C(O)C1=C(C=CC(=C1)S(=O)(=O)O)O PH011748 [0,2,0,0,0,0|2,0,0]=4 61 B14R1.680 O=C(O)C1=CC(=CC=C1Br)S(=O)(=O)O S598348 [0,2,0,0,0,0|2,0,0]=4 62 B14R1.345 NN=C1C=C(NC(=C1)C(=O)O)C(=O)O R628174 [0,2,0,0,0,0|0,0,1]=3 63 B14R1.3145 CC1=CC(=C(C(=C1)C(=O)O)O)C(=O)O PH004277 [0,2,0,0,0,0|1,0,0]=3 64 B14R2.601 CC1=CC2=CC(=CC=C2O1)C(=O)O CDS005661 [0,0,0,1,0,1|2,0,0]=4 65 B14R2.601 O=C1NC2=CC=C(C=C2O1)C(=O)O PH006842 [0,0,0,1,0,1|2,0,0]=4 66 B14R2.712 O=C1CC2=C(N1)C(=CC=C2)C(=O)O CDS015443 [0,0,0,1,0,1|2,0,0]=4 67 B14R2.24358 O=C(O)C1=CC=C2CNC(=O)C2=C1 CDS021049 [0,1,0,1,0,0|2,0,0]=4 68 B10R1.31 O=CC1=CC=C(N1)C(=O)O CDS004821 [1,0,0,0,1,0|0,0,1]=3 69 B10R1.31 O=CC1=CC=C(O1)C(=O)O CDS000126 [1,0,0,0,1,0|1,0,0]=3 70 B10R1.39 O=CC1=CNN=C1C(=O)O CDS006480 [1,0,0,0,1,0|2,0,0]=4 71 B12R1.438 C(=O)C1=CC(=CC=C1)OC(=O)C R267635 [1,0,0,0,0,1|2,0,0]=4 72 B12R1.256 NC(=O)C1=CC=C(C=C1)C(=O)O CDS004491 [0,0,0,0,1,1|2,0,0]=4 73 B12R1.261 NC(=O)C1=CC=CC=C1C(=O)N S354791 [0,0,0,0,1,1|2,0,0]=4 74 B12R1.261 NC(=O)C1=CC=CC=C1C(=O)[O-] L132101 [0,0,0,0,1,1|1,0,1]=4 75 B12R1.261 O=C(O)C1=CC=CC=C1B(O)O CDS004617 [0,0,0,0,1,1|1,0,1]=4 76 B12R1.261 O=C(O)C1=CC=CC=C1S(=O)O S986054 [0,0,0,0,1,1|1,0,0]=3 77 B14R1.811 CC(=O)NC1=CC=CC(=N1)NC(=O)C S378313 [0,0,0,0,0,2|2,0,0]=4 78 B14R1.6355 O=C(O)COC1=CC(=CC=C1)C(=O)O PH009484 [0,0,0,0,0,2|1,0,0]=3