0 B15R2.984 CC(=O)C1=C(NC2=C(S1)C=CC=C2)C R627062 [0,0,0,0,0,0|4,0,0]=4 1 B15R2.984 CC(=O)C1=NC2=C(C=CC=C2)N=C1C PH014521 [0,0,0,0,0,0|4,0,0]=4 2 B15R2.984 CC1=NC2=C(C=CC=C2)C=C1C(=O)O BBO000693 [0,0,0,0,0,0|2,0,0]=2 3 B15R2.984 N=C1OC2=C(C=CC=C2)C=C1C(=[Se])N R381659 [0,0,0,0,0,0|2,1,0]=3 4 B15R2.984 OB(O)C1=CC2=CC=CC=C2N=C1O CDS023323 [0,0,0,0,0,0|2,0,2]=4 5 B14R2.781 CC(=O)C1=CN=C2C=CC=CC2=N1 CDS010639 [1,0,0,0,0,0|3,0,0]=4 6 B14R2.781 CC(=O)C1=CN=C2C=CC=NC2=C1 ADE000862 [1,0,0,0,0,0|3,0,0]=4 7 B14R2.781 NC(=O)C1=CC2=C(C=CC=C2)OC1 PH004711 [1,0,0,0,0,0|1,0,1]=3 8 B14R2.781 O=C(O)C1=CC2=C(C=C1)N=CC=C2 PH006820 [1,0,0,0,0,0|2,0,0]=3 9 B14R2.781 O=C(O)C1=CC=C2C=NC=CC2=C1 CDS008227 [1,0,0,0,0,0|2,0,0]=3 10 B14R2.781 O=C(O)C1=CC=C2N=CC=CC2=N1 CDS001881 [1,0,0,0,0,0|3,0,0]=4 11 B14R2.781 O=C(O)C1=CN=C2C=CC=NC2=C1 ADE000868 [1,0,0,0,0,0|2,0,0]=3 12 B14R2.781 O=C(O)C1=NC2=CC=CC=C2C=N1 BBO000660 [1,0,0,0,0,0|3,0,0]=4 13 B14R2.781 O=C(O)C1=NC=C2C=CC=CC2=C1 CDS000326 [1,0,0,0,0,0|2,0,0]=3 14 B14R2.781 O=C(O)C1C=CC2=C(C1)C=CC=C2 L168726 [1,0,0,0,0,0|1,0,2]=4 15 B14R2.781 O=C([O-])C1=CC2=CC=CC=C2C=C1 R580694 [1,0,0,0,0,0|1,0,1]=3 16 B14R2.781 O=S(O)C1=CC2=C(C=CC=C2)C=C1 S652083 [1,0,0,0,0,0|2,0,0]=3 17 B14R2.1128 N#CC1=CC2=C(C=CC=C2)OC1=N S647632 [1,0,0,0,0,0|2,0,1]=4 18 B14R2.1128 O=CC1=CC2=CC=CC=C2C=C1O UPL0014 [1,0,0,0,0,0|1,0,1]=3 19 B14R2.1128 OCC1=CC2=CC=CC=C2N=C1Cl BBO000266 [1,0,0,0,0,0|2,0,1]=4 20 B16R2.23372 C=C1OC2=C(C=CC=C2)C(=C1[N+](=O)[O-])O R701726 [0,1,0,0,0,0|2,0,1]=4 21 B16R2.23372 CC(=O)C1=C(C2=C(C=CC=C2)OC1=O)O R622427 [0,1,0,0,0,0|1,0,0]=2 22 B16R2.23520 CC1=NC2=C(C=CC(=C2)Cl)C=C1C(=O)O BBO000002 [0,1,0,0,0,0|2,0,0]=3 23 B16R2.23520 CC1=NC2=CC(=CC=C2C=C1C(=O)O)F BBO000576 [0,1,0,0,0,0|2,0,0]=3 24 B16R2.23521 CC(=O)C1=CC2=CC(=CC=C2OC1=O)Br S527343 [0,1,0,0,0,0|1,0,0]=2 25 B16R2.23521 CC(=O)C1=CC2=CC(=CC=C2OC1=O)Cl T317179 [0,1,0,0,0,0|1,0,0]=2 26 B16R2.23521 CC1=CC=C2N=C(C(=CC2=C1)C(=O)O)C CDS017081 [0,1,0,0,0,0|2,0,0]=3 27 B16R2.23521 CC1=NC2=CC=C(C=C2C=C1C(=O)O)Cl BBO000759 [0,1,0,0,0,0|2,0,0]=3 28 B16R2.23521 N=C1OC2=C(C=C(C=C2)Br)C=C1C(=O)N R583553 [0,1,0,0,0,0|2,0,0]=3 29 B16R2.23521 N=C1OC2=C(C=C(C=C2)Cl)C=C1C(=S)N L211362 [0,1,0,0,0,0|2,1,0]=4 30 B16R2.23521 NC(=O)C1=CC2=CC(=CC=C2OC1=O)Cl T319619 [0,1,0,0,0,0|1,0,0]=2 31 B16R2.23521 NC(=S)C1=CC2=C(C=CC(=C2)Cl)OC1=O R499145 [0,1,0,0,0,0|1,1,0]=3 32 B16R2.33941 COC(=O)C1=CC2=C(C=CC=C2)C=C1N CDS021976 [0,1,0,0,0,0|2,0,0]=3 33 B16R2.33941 COC(=O)C1=CC2=CC=CC=C2OC1=O PH002097 [0,1,0,0,0,0|0,0,0]=1 34 B16R2.33941 COC(=O)C1CC2=C(C=CC=C2)OC1=O T260231 [0,1,0,0,0,0|0,0,2]=3 35 B16R2.83668 CN1C(=O)C(=NC2=CC=CC=C12)C(=O)O T315400 [0,1,0,0,0,0|2,0,0]=3 36 B16R2.83668 O=C(O)C1=CC2=C(C=CC=C2)C(=C1O)Br PH011736 [0,1,0,0,0,0|1,0,1]=3 37 B16R2.126889 CC1=NC2=C(C=CC=C2C=C1C(=O)O)Br BBO000647 [0,1,0,0,0,0|2,0,0]=3 38 B14R1.550 N#C/C(=C\C1=C(C=CC=C1)Br)/C(=O)O T118273 [0,0,1,0,0,0|2,0,1]=4 39 B14R1.550 N#C/C(=C\C1=C(C=CC=C1)F)/C(=O)O L132403 [0,0,1,0,0,0|2,0,1]=4 40 B14R1.4513 CC(=O)C(=CC1=CC=CC=C1)C(=O)C S620335 [0,0,1,0,0,0|2,0,0]=3 41 B14R1.4513 NC(=O)C(CC1=CC=CC=C1)C(=O)O T156833 [0,0,1,0,0,0|1,0,2]=4 42 B16R3.17428 O=C1OCC2=CC3=C(C=CC=C3)C=C12 S337137 [0,0,0,1,0,0|2,0,0]=3 43 B14R2.450 CC(=O)C1=C(C2=C(O1)C=CC=C2)N T121150 [0,0,0,0,1,0|3,0,0]=4 44 B14R2.450 CC(=O)C1=C(C2=C(S1)C=CC=C2)O S760552 [0,0,0,0,1,0|2,0,1]=4 45 B14R2.450 CC1=C(NC2=CC=CC=C12)C(=O)O CDS002324 [0,0,0,0,1,0|2,0,0]=3 46 B14R2.450 NC1=C(SC2=NC=CC=C12)C(=O)O CDS005324 [0,0,0,0,1,0|3,0,0]=4 47 B14R2.450 O=C(O)C1=C(C2=C([Se]1)C=CC=C2)Br S92909 [0,0,0,0,1,0|2,0,0]=3 48 B14R2.642 CC(=O)C1=C(SC2=C1C=CC=C2)C CBR01172 [0,0,0,0,1,0|2,1,0]=4 49 B14R2.642 CC(=O)N1C(=O)SC2=C1C=CC=C2 R241660 [0,0,0,0,1,0|2,1,0]=4 50 B14R2.642 CN1N=C2C=CC=CC2=C1C(=O)O CDS018476 [0,0,0,0,1,0|3,0,0]=4 51 B13R1.90 C[Se]C1=CC=CC=C1/C=C/C(=O)O S893102 [1,0,1,0,0,0|0,1,1]=4 52 B13R1.202 C/C(=C\C1=C(C=CC=C1)Cl)/C(=O)O S808695 [1,0,1,0,0,0|1,0,1]=4 53 B13R1.418 CC/C(=C\C1=CC=CC=C1)/C(=O)O S808326 [1,0,1,0,0,0|1,0,1]=4 54 B13R1.418 O=C(O)/C(=C/C1=CC=CC=C1)/CBr S808709 [1,0,1,0,0,0|1,0,1]=4 55 B13R2.57 C(=O)C1=CC=C2C=CC=NC2=C1 CDS007586 [2,0,0,0,0,0|2,0,0]=4 56 B13R2.57 O=CC1=CC2=C(C=C1)N=CC=C2 CDS013832 [2,0,0,0,0,0|2,0,0]=4 57 B13R2.57 O=CC1=CC2=C(C=CC=N2)N=C1 ADE000863 [2,0,0,0,0,0|2,0,0]=4 58 B13R2.57 O=CC1=CC2=CC=CC=C2C=N1 CDS008037 [2,0,0,0,0,0|2,0,0]=4 59 B13R2.57 O=CC1=CN=C2C=CC=CC2=N1 CDS015095 [2,0,0,0,0,0|2,0,0]=4 60 B13R2.57 O=CC1=NN=C2C=CC=CC2=C1 PH017680 [2,0,0,0,0,0|2,0,0]=4 61 B13R2.369 CC1=CC2=C(C=CC=C2)OC1=O PH003698 [2,0,0,0,0,0|0,0,1]=3 62 B13R2.369 N=C1NC2=CC=CC=C2OC1=O T319554 [2,0,0,0,0,0|2,0,0]=4 63 B13R2.369 O=C1OC2=C(C=CC=C2)N=C1Cl PH009408 [2,0,0,0,0,0|2,0,0]=4 64 B13R2.369 O=C1SC2=C(C=CC=C2)C=C1Cl S849499 [2,0,0,0,0,0|1,1,0]=4 65 B15R1.11335 O=C(O)C(NC1=CC=C(C=C1)Br)C(=O)O S287490 [0,1,1,0,0,0|1,0,1]=4 66 B15R1.31384 O=C(O)C(Br)(CC1=CC=CC=C1)C(=O)O R739227 [0,1,1,0,0,0|0,0,2]=4 67 B15R2.627 O=C(O)C1=CC=C2C=CC=NC2=C1O CDS000394 [1,1,0,0,0,0|2,0,0]=4 68 B15R2.627 O=C(O)C1=CNC2=C(C1=O)C=CC=C2 CDS012778 [1,1,0,0,0,0|1,0,0]=3 69 B15R2.1601 C/C(=N\O)/C1=CC2=CC=CC=C2C=C1 PH009166 [1,1,0,0,0,0|2,0,0]=4 70 B15R2.1601 CCC(=O)C1=CC2=C(C=CC=C2)C=C1 S285579 [1,1,0,0,0,0|2,0,0]=4 71 B15R2.1601 COC(=O)C1=CN=C2C=CC=NC2=C1 ADE000872 [1,1,0,0,0,0|2,0,0]=4 72 B15R2.1601 COC(=O)C1=NC2=C(C=CC=C2)C=C1 EME00139 [1,1,0,0,0,0|2,0,0]=4 73 B15R2.1601 NNC(=O)C1=CC2=C(C=CC=C2)C=C1 PH009906 [1,1,0,0,0,0|2,0,0]=4 74 B15R2.1601 O=C(CCl)C1=CC2=CC=CC=C2C=C1 PH005134 [1,1,0,0,0,0|2,0,0]=4 75 B15R2.7174 CC1=CC=C2N=CC(=CC2=C1)C(=O)O CDS008205 [1,1,0,0,0,0|1,0,0]=3 76 B15R2.7174 O=C(Cl)C1=CC2=CC(=CC=C2OC1)Cl PH017706 [1,1,0,0,0,0|1,0,1]=4 77 B15R2.7174 O=C(O)C1=CC2=CC(=CC=C2N=C1)Cl BBO000207 [1,1,0,0,0,0|1,0,0]=3 78 B15R2.7174 O=C(O)C1=CC2=CC(=CC=C2N=C1)F BBO000047 [1,1,0,0,0,0|1,0,0]=3 79 B15R2.7174 O=C(O)C1=CN=C2C=CC(=CC2=C1)Br BBO000694 [1,1,0,0,0,0|1,0,0]=3 80 B15R2.7174 O=C(O)C1=CN=C2C=CC(=CC2=C1)Br CDS007317 [1,1,0,0,0,0|1,0,0]=3 81 B15R2.7180 CC(=O)C1=CC2=C(C=C1)C=C(C=C2)Br T303321 [1,1,0,0,0,0|2,0,0]=4 82 B15R2.7180 O=C(O)C1=CC2=CC=C(C=C2N=C1)F BBO000577 [1,1,0,0,0,0|1,0,0]=3 83 B15R2.7180 O=C(O)C1=CC=C2C=C(C=CC2=C1)Br CDS004635 [1,1,0,0,0,0|1,0,0]=3 84 B15R2.7180 O=C(O)C1=CN=C2C=C(C=CC2=C1)Br BBO000695 [1,1,0,0,0,0|1,0,0]=3 85 B15R2.7180 O=C(O)C1=CN=C2C=C(C=CC2=C1)Br CDS007316 [1,1,0,0,0,0|1,0,0]=3 86 B15R2.7180 O=C(O)C1=CN=C2C=C(C=CC2=C1)Cl BBO000765 [1,1,0,0,0,0|1,0,0]=3 87 B15R2.7180 O=C(O)C1=CN=C2C=C(C=CC2=C1)Cl CDS019629 [1,1,0,0,0,0|1,0,0]=3 88 B15R2.7180 O=C1C=CC2=CC(=CC=C2O1)C(=O)O CDS022225 [1,1,0,0,0,0|2,0,0]=4 89 B15R2.13598 CC1=C2N=CC(=CC2=CC=C1)C(=O)O BBO000054 [1,1,0,0,0,0|1,0,0]=3 90 B15R2.13598 O=C(O)C1=CC2=CC=CC(=C2N=C1)Br BBO000642 [1,1,0,0,0,0|1,0,0]=3 91 B15R2.13598 O=C(O)C1=CC2=CC=CC(=C2N=C1)F BBO000643 [1,1,0,0,0,0|1,0,0]=3 92 B15R2.14951 O=C(O)C1=CC2=C(C=CC=C2)C(=O)O1 PH004894 [1,1,0,0,0,0|2,0,0]=4 93 B15R2.61353 O=C(O)C1=NC2=C(C=CC=C2C=C1)F CBR00482 [1,1,0,0,0,0|2,0,0]=4 94 B15R2.274 C(=O)C1=C(C2=C(C=CC=C2)OC1=O)O L481548 [1,1,0,0,0,0|0,0,0]=2 95 B15R2.274 O=C\1NC2=C(C=CC=C2)C(=O)/C1=N/O R260134 [1,1,0,0,0,0|2,0,0]=4 96 B15R2.1754 C(=O)C1=CC2=CC=C(C=C2N=C1Cl)Br BBO000021 [1,1,0,0,0,0|2,0,0]=4 97 B15R2.1754 O=CC1=CC2=CC=C(C=C2N=C1Cl)Cl OTV000018 [1,1,0,0,0,0|2,0,0]=4 98 B15R2.1754 O=CC1=CC2=CC=C(C=C2N=C1Cl)F BBO000138 [1,1,0,0,0,0|2,0,0]=4 99 B15R2.1754 O=CC1=CC2=CC=C(C=C2N=C1O)Cl BBO000253 [1,1,0,0,0,0|1,0,1]=4 100 B15R2.1824 O=CC1=CC2=CC(=CC=C2N=C1Cl)Br BBO000198 [1,1,0,0,0,0|2,0,0]=4 101 B15R2.1824 O=CC1=CC2=CC(=CC=C2N=C1Cl)Cl BBO000098 [1,1,0,0,0,0|2,0,0]=4 102 B15R2.1824 O=CC1=CC2=CC(=CC=C2N=C1Cl)F BBO000134 [1,1,0,0,0,0|2,0,0]=4 103 B15R2.1824 O=CC1=CC2=CC(=CC=C2N=C1O)Cl BBO000252 [1,1,0,0,0,0|1,0,1]=4 104 B15R2.21243 CN1C(=O)C(=CC2=CC=CC=C12)CO T326062 [1,1,0,0,0,0|1,0,1]=4 105 B15R2.1592 COC(=O)C1=C(C2=C(O1)C=CC=C2)C EME00009 [0,1,0,0,1,0|2,0,0]=4 106 B15R2.1592 COC(=O)C1=C(C2=CC=CC=C2O1)N BBO000501 [0,1,0,0,1,0|2,0,0]=4 107 B15R2.1592 COC(=O)C1=C(C2=CC=CC=C2O1)O PH011416 [0,1,0,0,1,0|1,0,1]=4 108 B15R2.1592 COC(=O)C1=CC2=C(N1C)C=CC=C2 S363634 [0,1,0,0,1,0|2,0,0]=4 109 B15R2.1592 COC(=O)C1CC2=C(C1=O)C=CC=C2 R175420 [0,1,0,0,1,0|0,0,2]=4 110 B15R2.4190 CCC1=C(NC2=C1C=CC=C2)C(=O)O CBR00410 [0,1,0,0,1,0|2,0,0]=4 111 B15R2.4190 O=CC1=C(N=C2N1C=CC=C2)C(=O)O CDS018199 [0,1,0,0,1,0|2,0,0]=4 112 B15R2.7203 CC1=C(OC2=C1C=C(C=C2)F)C(=O)O CDS010624 [0,1,0,0,1,0|2,0,0]=4 113 B15R2.7203 CN1C(=CC2=CC=C(C=C12)Cl)C(=O)O CBR01647 [0,1,0,0,1,0|2,0,0]=4 114 B15R2.9921 CC(=O)C1=C(C2=C(C1=O)C=CC=C2)[O-] R466689 [0,1,0,0,1,0|1,0,0]=3 115 B15R2.9921 CC(=O)N1C(=O)C2=C(C1=O)C=CC=C2 S568511 [0,1,0,0,1,0|2,0,0]=4 116 B15R2.13463 CC1=C(OC2=C(C=CC=C12)F)C(=O)O T314706 [0,1,0,0,1,0|2,0,0]=4 117 B15R2.13463 CC1=CC=CC2=C1OC(=C2C)C(=O)O CDS013454 [0,1,0,0,1,0|2,0,0]=4 118 B15R2.13629 O=C(O)C1=C(C2=C(C=CC=C2S1)Br)Cl CDS002103 [0,1,0,0,1,0|2,0,0]=4 119 B15R2.381 CC1=C(C2=C(O1)C=C(C=C2)O)C(=O)O PH016196 [0,1,0,0,1,0|1,0,0]=3 120 B17R2.39114 O=C(O)CN1C(=O)NC2=C(C1=O)C=CC=C2 CDS008878 [0,1,0,0,0,1|2,0,0]=4 121 B17R2.57536 COC(=O)/C=C\1/NC2=C(C=CC=C2)NC1=O PH010440 [0,1,0,0,0,1|2,0,0]=4 122 B17R2.3007 COC1=C(C2=C(C=CC=C2)C=C1C(=O)O)Br T317543 [0,2,0,0,0,0|1,0,1]=4 123 B17R2.45126 O=C(Cl)C1=CC2=C(C=CC=C2)C=C1C(=O)Cl S337234 [0,2,0,0,0,0|2,0,0]=4 124 B17R2.45126 O=C(O)C1=CC2=CC=CC=C2N=C1C(=O)O BBO000742 [0,2,0,0,0,0|1,0,0]=3 125 B17R2.45126 O=C(O)C1=CC2=CC=CC=C2N=C1C(=O)O CDS009597 [0,2,0,0,0,0|1,0,0]=3 126 B17R2.64657 CCC1=NC2=CC=CC=C2C(=C1C(=O)O)C T314447 [0,2,0,0,0,0|2,0,0]=4 127 B17R2.38847 CC1=CC=C2OC(=O)C(=C(C2=C1)Cl)[N+](=O)[O-] IDF00043 [0,2,0,0,0,0|1,0,1]=4 128 B17R2.38847 O=C1OC2=CC=C(C=C2C(=C1[N+](=O)[O-])Cl)F IDF00049 [0,2,0,0,0,0|1,0,1]=4 129 B17R2.266198 CC1=CC=C2C(=C1)OC(=O)C(=C2Cl)[N+](=O)[O-] IDF00044 [0,2,0,0,0,0|1,0,1]=4 130 B17R2.64947 COC1=CC=C2C=C(C(=NC2=C1)C)C(=O)O BBO000758 [0,2,0,0,0,0|2,0,0]=4 131 B17R2.64947 COC1=CC=C2C=C(C(=NC2=C1)C)C(=O)O CDS017017 [0,2,0,0,0,0|2,0,0]=4 132 B17R2.256806 CC1=C(C=C2C=CC(=C(C2=N1)C)Br)C(=O)O BBO000324 [0,2,0,0,0,0|2,0,0]=4 133 B17R2.256806 CC1=CC=C2C=C(C(=NC2=C1C)C)C(=O)O BBO000061 [0,2,0,0,0,0|2,0,0]=4 134 B17R2.256806 CC1=NC2=C(C(=CC=C2C=C1C(=O)O)Cl)C BBO000215 [0,2,0,0,0,0|2,0,0]=4 135 B17R2.58255 O=C(CBr)C1=CC2=C(C=CC(=C2)Br)OC1=O L211370 [0,2,0,0,0,0|1,0,0]=3 136 B17R2.64948 CCC1=CC=C2N=C(C(=CC2=C1)C(=O)O)C BBO000045 [0,2,0,0,0,0|2,0,0]=4 137 B17R2.64948 COC1=CC=C2N=C(C(=CC2=C1)C(=O)O)C BBO000210 [0,2,0,0,0,0|2,0,0]=4 138 B17R2.64948 COC1=CC=C2N=C(C(=CC2=C1)C(=O)O)Cl CDS013114 [0,2,0,0,0,0|2,0,0]=4 139 B17R2.64948 COC1=CC=C2OC(=O)C(=CC2=C1)C(=O)O T308994 [0,2,0,0,0,0|0,0,0]=2 140 B17R2.880639 CC(=O)C1=CC2=C(OC1=O)C(=CC(=C2)Cl)Cl S527351 [0,2,0,0,0,0|1,0,0]=3 141 B17R2.50008 CCOC(=O)C1=C(OC2=C(O1)C=CC=C2)C S408522 [0,2,0,0,0,0|2,0,0]=4 142 B17R2.50008 CCOC(=O)C1=CC2=C(C=CC=C2)C=C1O PH009815 [0,2,0,0,0,0|1,0,1]=4 143 B17R2.50008 CCOC(=O)C1=CC2=C(C=CC=C2)N=C1C BBO000007 [0,2,0,0,0,0|2,0,0]=4 144 B17R2.50008 CCOC(=O)C1=CC2=CC=CC=C2N=C1N CDS017769 [0,2,0,0,0,0|2,0,0]=4 145 B17R2.50008 CCOC(=O)C1=CC2=CC=CN=C2NC1=O ADE000832 [0,2,0,0,0,0|2,0,0]=4 146 B17R2.50008 CCOC(=O)C1=NC2=CC=CC=C2NC1=O T144339 [0,2,0,0,0,0|2,0,0]=4 147 B17R2.392577 CCC1=C2N=C(C(=CC2=CC=C1)C(=O)O)C BBO000228 [0,2,0,0,0,0|2,0,0]=4 148 B17R2.392577 COC1=CC=CC2=C1OC(=O)C(=C2)C(=O)C IDF00034 [0,2,0,0,0,0|1,0,0]=3 149 B17R2.392577 COC1=CC=CC2=C1OC(=O)C(=C2)C(=O)O PH010355 [0,2,0,0,0,0|0,0,0]=2 150 B15R2.1237 O=C(O)C1=CC2=CC=CC=C2OC=C1 T326240 [0,0,1,1,0,0|1,0,0]=3 151 B15R2.19753 O=C(O)/C=C\C1=CC=CC2=C1OCO2 L170887 [0,0,1,1,0,0|0,0,2]=4 152 B15R2.355 CC\1=NOC(=O)/C1=C\C2=CC=CC=C2 PH000769 [0,0,1,1,0,0|2,0,0]=4 153 B15R2.355 O=C1OCC(=C1CC2=CC=CC=C2)O S429023 [0,0,1,1,0,0|1,0,1]=4 154 B15R2.16273 O=C(O)C1=C2C=CC=CC(=CC=C1)C2 T190322 [0,0,1,1,0,0|2,0,0]=4 155 B17R3.3374 O=C1OC(=O)C2=CC3=C(C=CC=C3)C=C12 S876682 [0,1,0,1,0,0|1,0,0]=3 156 B17R3.3374 O=C1SC(=O)C2=CC3=C(C=CC=C3)C=C12 R164232 [0,1,0,1,0,0|1,1,0]=4 157 B17R3.31564 O=C1OC2=C(C=CC=C2)C3=C1C(CO3)O KOB0020 [0,1,0,1,0,0|0,0,2]=4 158 B13R1.201 CC1=CC=CC=C1/C(=C/C(=O)O)/C R244880 [0,0,1,0,1,0|1,0,1]=4 159 B13R1.152 O=C(O)/C(=C(/Br)\C1=CC=CC=C1)/Br S731374 [0,0,1,0,1,0|2,0,0]=4 160 B13R1.3571 O=C(O)C(=CC1=CC=CO1)C(=O)O R786934 [0,0,1,0,1,0|1,0,0]=3 161 B13R2.72 O=C(O)C1=C2C=CC=CC2=NO1 CDS016073 [1,0,0,0,1,0|2,0,0]=4 162 B13R2.72 O=C(O)C1=CCC2=C1C=CC=C2 MNO000013 [1,0,0,0,1,0|1,0,0]=3 163 B13R2.72 O=C(O)C1=CSC2=C1C=CC=C2 PH006834 [1,0,0,0,1,0|0,1,0]=3 164 B13R2.72 O=C(O)C1=NOC2=CC=CC=C12 BBO000747 [1,0,0,0,1,0|1,0,0]=3 165 B13R2.72 O=C(O)C1=NOC2=CC=CC=C12 CDS009986 [1,0,0,0,1,0|1,0,0]=3 166 B13R2.72 OB(O)C1=COC2=C1C=CC=C2 CDS022390 [1,0,0,0,1,0|1,0,1]=4 167 B13R2.430 O=C(O)C1=CC2=C(C=C1)OC=C2 CDS021633 [1,0,0,0,1,0|2,0,0]=4 168 B13R2.430 O=C(O)C1=CC2=C(C=CN2)N=C1 ADE000955 [1,0,0,0,1,0|2,0,0]=4 169 B13R2.430 O=C(O)C1=CN=C2C=COC2=C1 ADE001144 [1,0,0,0,1,0|2,0,0]=4 170 B13R2.430 O=C(O)C1=CN=C2C=CSC2=C1 CDS024230 [1,0,0,0,1,0|2,0,0]=4 171 B13R2.430 O=C(O)C1=CN=C2NC=CC2=C1 ADE000888 [1,0,0,0,1,0|2,0,0]=4 172 B13R2.435 CC(=O)C1=CN2C=CC=CC2=C1 PH014750 [1,0,0,0,1,0|2,0,0]=4 173 B13R2.435 NC(=O)C1=CC2=C(O1)C=CC=C2 S815276 [1,0,0,0,1,0|1,0,0]=3 174 B13R2.435 O=C(O)C1=CC2=CC=CN=C2N1 CDS009698 [1,0,0,0,1,0|2,0,0]=4 175 B13R2.435 O=C(O)C1=CN2C=CC=CC2=C1 CDS009157 [1,0,0,0,1,0|1,0,0]=3 176 B13R2.435 O=C(O)C1=NN2C=CC=CC2=C1 CDS020355 [1,0,0,0,1,0|2,0,0]=4 177 B13R2.435 O=C(O)C1OC2=C(O1)C=CC=C2 PH010404 [1,0,0,0,1,0|1,0,1]=4 178 B13R2.45 C(=O)C1=C(C2=C(O1)C=CC=C2)C L169501 [1,0,0,0,1,0|2,0,0]=4 179 B13R2.45 N/C=C/1\CC2=C(C1=O)C=CC=C2 PH000641 [1,0,0,0,1,0|1,0,1]=4 180 B13R2.135 CC1=C(C2=CC=CC=C2O1)C=O CDS002371 [1,0,0,0,1,0|1,0,0]=3 181 B13R2.135 N1C(=O)/C(=N\O)/C2=C1C=CC=C2 T308250 [1,0,0,0,1,0|2,0,0]=4 182 B15R1.256 CC1=C(C=CC=C1)OC(=O)CCC(=O)O R367060 [0,0,1,0,0,1|0,0,2]=4 183 B15R1.256 O=C(O)/C=C/C(=O)NC1=C(C=CC=C1)F S701130 [0,0,1,0,0,1|2,0,0]=4 184 B15R1.256 O=C(O)/C=C/C(=O)NC1=CC=CC=C1Br S881740 [0,0,1,0,0,1|2,0,0]=4 185 B15R1.256 O=C(O)C=CC(=O)NC1=C(C=CC=C1)Cl S393851 [0,0,1,0,0,1|2,0,0]=4 186 B15R1.496 O=C(O)/C=C(\Cl)/C(=O)NC1=CC=CC=C1 S206075 [0,0,1,0,0,1|2,0,0]=4 187 B15R1.3569 O=C(O)C(CCC1=CC=CC=C1)C(=O)O L496294 [0,0,1,0,0,1|0,0,2]=4 188 B15R2.629 CC(=O)/C=C/1\CC2=CC=CC=C2C1=O R256188 [0,0,0,0,1,1|1,0,1]=4 189 B15R2.988 CC1=NC2=C(C=CC=C2)C(=C1)C(=O)O S243949 [0,0,0,0,1,1|2,0,0]=4 190 B15R2.988 NC1=CC(=C2C=CC=CC2=N1)C(=O)O CDS001855 [0,0,0,0,1,1|2,0,0]=4 191 B15R2.988 O=C1C=C(C2=CC=CC=C2N1)C(=O)O CDS019980 [0,0,0,0,1,1|1,0,0]=3 192 B15R2.988 O=C1CC(C2=CC=CC=C2N1)C(=O)O T324027 [0,0,0,0,1,1|1,0,1]=4 193 B17R2.5006 CC1OC2=CC=CC=C2C=C1/C=C/C(=O)O T318205 [0,0,0,0,0,2|1,0,1]=4 194 B17R2.5006 O=C(O)CCC1=NC2=C(C=CC=C2)NC1=O R413496 [0,0,0,0,0,2|2,0,0]=4