0 B14R2.966 C/C(=N\O)/C1=CC2=C(C=C1)CCC2 S907308 [0,0,0,0,0,0|4,0,0]=4 1 B14R2.966 CCC(=O)C1=CC=C2OCOC2=C1 CDS001550 [0,0,0,0,0,0|3,0,0]=3 2 B14R2.966 CNC(=O)C1=CC2=C(C=C1)OCO2 L170704 [0,0,0,0,0,0|3,0,0]=3 3 B14R2.966 CNC(=O)C1=CC=C2OCCC2=C1 T309532 [0,0,0,0,0,0|3,0,0]=3 4 B14R2.966 COC(=O)C1=CC2=C(C=CN2)N=C1 ADE000956 [0,0,0,0,0,0|1,0,2]=3 5 B14R2.966 COC(=O)C1=CC=C2C=CNC2=N1 ADE001367 [0,0,0,0,0,0|1,0,2]=3 6 B14R2.966 COC(=O)C1=CC=C2C=NNC2=C1 SYX00165 [0,0,0,0,0,0|1,0,1]=2 7 B14R2.966 COC(=O)C1=CC=C2CSCC2=C1 PH017213 [0,0,0,0,0,0|2,0,0]=2 8 B14R2.966 COC(=O)C1=CC=C2NC=CC2=N1 ADE000974 [0,0,0,0,0,0|3,0,1]=4 9 B14R2.966 COC(=O)C1=CC=C2NN=CC2=C1 CVT00048 [0,0,0,0,0,0|3,0,0]=3 10 B14R2.966 COC(=O)C1=CC=C2OCOC2=C1 S696773 [0,0,0,0,0,0|2,0,0]=2 11 B14R2.966 COC(=O)C1=CN=C2NC=CC2=C1 ADE000891 [0,0,0,0,0,0|3,0,1]=4 12 B14R2.966 COC(=O)C1=CN=C2NN=CC2=C1 ADE001315 [0,0,0,0,0,0|4,0,0]=4 13 B14R2.966 O=C(CBr)C1=CC2=C(C=C1)OCO2 PH015476 [0,0,0,0,0,0|4,0,0]=4 14 B14R2.966 O=C(CCl)C1=CC=C2NCCC2=C1 OTV000701 [0,0,0,0,0,0|4,0,0]=4 15 B13R2.430 CC(=O)C1=CC2=C(C=C1)NCC2 PH010650 [1,0,0,0,0,0|2,0,0]=3 16 B13R2.430 CS(=O)C1=CC2=C(C=C1)NCC2 PH018437 [1,0,0,0,0,0|3,0,0]=4 17 B13R2.430 NC(=O)C1=CC2=C(C=C1)OCO2 S242586 [1,0,0,0,0,0|3,0,0]=4 18 B13R2.430 O=C(O)C1=CC2=C(C=C1)CCC2 T153958 [1,0,0,0,0,0|1,0,0]=2 19 B13R2.430 O=C(O)C1=CC2=C(C=C1)OC=C2 CDS021633 [1,0,0,0,0,0|2,0,1]=4 20 B13R2.430 O=C(O)C1=CC2=C(C=C1)OCC2 CDS015398 [1,0,0,0,0,0|2,0,0]=3 21 B13R2.430 O=C(O)C1=CC2=C(C=CN2)N=C1 ADE000955 [1,0,0,0,0,0|1,0,2]=4 22 B13R2.430 O=C(O)C1=CC=C2N=CNC2=C1 CDS018249 [1,0,0,0,0,0|1,0,1]=3 23 B13R2.430 O=C(O)C1=CC=C2N=NNC2=C1 CDS011338 [1,0,0,0,0,0|2,0,0]=3 24 B13R2.430 O=C(O)C1=CC=C2NCCC2=C1 CDS019637 [1,0,0,0,0,0|2,0,0]=3 25 B13R2.430 O=C(O)C1=CC=C2OC=NC2=C1 CDS010065 [1,0,0,0,0,0|1,0,2]=4 26 B13R2.430 O=C(O)C1=CC=C2SC=NC2=C1 CDS006646 [1,0,0,0,0,0|1,0,2]=4 27 B13R2.430 O=C(O)C1=CN=C2NCCC2=C1 CDS009699 [1,0,0,0,0,0|3,0,0]=4 28 B13R2.430 O=[N+]([O-])C1=CC2=C(C=C1)CCC2 T167444 [1,0,0,0,0,0|2,0,1]=4 29 B13R2.449 C/N=C/C1=CC2=C(C=C1)OCO2 S483400 [1,0,0,0,0,0|3,0,0]=4 30 B15R2.902 [NH4]OS(=O)(=O)C1=CC2=C(C=C1)CCC2 S412791 [0,1,0,0,0,0|3,0,0]=4 31 B15R2.1350 CCCC(=O)C1=CC2=C(C=C1)OCO2 CDS001216 [0,1,0,0,0,0|3,0,0]=4 32 B15R2.1350 CCOC(=O)C1=CC2=C(C=C1)NN=C2 OTV000848 [0,1,0,0,0,0|3,0,0]=4 33 B15R2.1350 CCOC(=O)C1=CN=C2C=CNC2=C1 PHB00267 [0,1,0,0,0,0|1,0,2]=4 34 B15R2.1350 CCOC(=O)C1=CN=C2C=NNC2=C1 PHB00266 [0,1,0,0,0,0|2,0,1]=4 35 B15R2.1350 O=C(CCCl)C1=CC2=C(C=C1)CCC2 S955302 [0,1,0,0,0,0|2,0,0]=3 36 B15R2.19053 COC(=O)C1=C(C=C2C=CNC2=N1)Cl ADE001309 [0,1,0,0,0,0|1,0,2]=4 37 B15R2.19053 COC(=O)C1=C(N=C2CCCC2=C1)N CDS024505 [0,1,0,0,0,0|2,0,0]=3 38 B15R2.19098 COC(=O)C1=CC=C2C=NN(C2=C1)C SYX00164 [0,1,0,0,0,0|1,0,1]=3 39 B15R2.19098 COC(=O)C1=CC=C2CCC(=O)C2=C1 PH009881 [0,1,0,0,0,0|1,0,0]=2 40 B15R2.19280 COC(=O)C1=CC2=C(C=C1)NC(=O)O2 KOB0033 [0,1,0,0,0,0|2,0,1]=4 41 B15R2.19280 COC(=O)C1=CC2=CN(N=C2C=C1)C SYX00169 [0,1,0,0,0,0|3,0,0]=4 42 B15R2.19280 COC(=O)C1=CC2=NN(C=C2C=C1)C SYX00170 [0,1,0,0,0,0|1,0,2]=4 43 B15R2.19280 COC(=O)C1=CC=C2N=C(SC2=C1)N CDS001964 [0,1,0,0,0,0|2,0,1]=4 44 B15R2.19280 COC(=O)C1=CC=C2SC(=NC2=C1)N JRD0272 [0,1,0,0,0,0|1,0,2]=4 45 B15R2.19363 COC(=O)C1=CC(=C2C=CNC2=C1)O CDS010397 [0,1,0,0,0,0|0,0,2]=3 46 B15R2.19363 COC(=O)C1=CC(=C2OC=NC2=C1)O PH018927 [0,1,0,0,0,0|1,0,2]=4 47 B15R2.79412 COC(=O)C1=CC=C2C(=C1)NN=C2I SYX00195 [0,1,0,0,0,0|1,0,1]=3 48 B13R1.49 CNC(=O)C1=CC(=C(C=C1)O)OC PH001850 [0,0,1,0,0,0|3,0,0]=4 49 B13R1.49 COC(=O)C1=CC(=C(C=C1)Br)OC CDS022697 [0,0,1,0,0,0|2,0,0]=3 50 B13R1.49 COC(=O)C1=CC(=C(C=C1)Cl)CCl PH014274 [0,0,1,0,0,0|3,0,0]=4 51 B13R1.49 COC(=O)C1=CC(=C(C=C1)F)OC KOB0132 [0,0,1,0,0,0|2,0,0]=3 52 B13R1.49 COC(=O)C1=CC=C(C(=C1)CBr)Cl PH014541 [0,0,1,0,0,0|3,0,0]=4 53 B13R1.49 COC(=O)C1=CC=C(C(=C1)CCl)C PH017877 [0,0,1,0,0,0|2,0,0]=3 54 B13R1.139 COC(=O)C1=CC=C(C=C1)NC=O PH006846 [0,0,1,0,0,0|2,0,1]=4 55 B13R1.374 CCOC1=CC(=CC=C1)C(=O)NN PH011686 [0,0,1,0,0,0|3,0,0]=4 56 B13R1.374 COC(=O)C1=CC(=CC=C1)CC=O PH018742 [0,0,1,0,0,0|2,0,1]=4 57 B13R1.3088 CCC(=O)C1=CC(=C(C=C1)OC)C OTV000168 [0,0,1,0,0,0|3,0,0]=4 58 B13R1.3088 CCC(=O)C1=CC=C(C(=C1)N)OC R160083 [0,0,1,0,0,0|2,0,0]=3 59 B13R1.3088 COC(=O)C1=CC(=C(C=C1)OC)Cl T116866 [0,0,1,0,0,0|2,0,0]=3 60 B13R1.3088 COC(=O)C1=CC=C(C(=C1)C)CN PH019556 [0,0,1,0,0,0|2,0,0]=3 61 B15R3.10059 O=C1CCC2=CC3=C(C=C12)CCC3 T184594 [0,0,0,1,0,0|2,0,0]=3 62 B15R3.10059 O=C1COC2=CC3=C(C=C12)CCC3 R261521 [0,0,0,1,0,0|3,0,0]=4 63 B15R2.1601 CCC(=O)C1=CC2=C(C=C1)OCCO2 JRD0549 [0,0,0,0,0,1|2,0,0]=3 64 B15R2.1601 CCC(=O)C1=CC=C2CCCCC2=C1 OTV000167 [0,0,0,0,0,1|2,0,0]=3 65 B15R2.1601 COC(=O)C1=CC2=C(C=C1)CCCC2 JRD0694 [0,0,0,0,0,1|1,0,0]=2 66 B15R2.1601 COC(=O)C1=CN=C2OCCOC2=C1 ADE000044 [0,0,0,0,0,1|2,0,0]=3 67 B15R2.1601 O=C(CBr)C1=CC2=C(C=C1)CCCC2 PH016155 [0,0,0,0,0,1|3,0,0]=4 68 B15R2.1601 O=C(CBr)C1=CC=C2OCCOC2=C1 PH010595 [0,0,0,0,0,1|3,0,0]=4 69 B15R2.4343 COC(=O)NC1=CC=C2CCCC2=C1 T167681 [0,0,0,0,0,1|1,0,0]=2 70 B12R1.56 CNC1=CC(=CC=C1C)C(C)C S893048 [1,0,1,0,0,0|1,0,1]=4 71 B12R1.56 COC1=CC(=CC=C1Br)C(=O)O CDS005772 [1,0,1,0,0,0|2,0,0]=4 72 B12R1.56 COC1=CC(=CC=C1Cl)C(=O)O ANV00031 [1,0,1,0,0,0|2,0,0]=4 73 B12R1.367 CC1=C(C=C(C=C1)C(=O)CCl)C OTV000344 [1,0,1,0,0,0|2,0,0]=4 74 B12R1.367 CCC(=O)C1=CC=C(C(=C1)C)C OTV000603 [1,0,1,0,0,0|1,0,0]=3 75 B12R1.367 CNC(=O)C1=CC(=C(C=C1)C)N CBR00280 [1,0,1,0,0,0|1,0,0]=3 76 B12R1.367 CNC(=O)C1=CC=C(C(=C1)N)Cl PH009943 [1,0,1,0,0,0|2,0,0]=4 77 B12R1.367 COC(=O)C1=CC(=C(C=C1)C)C PH000182 [1,0,1,0,0,0|0,0,0]=2 78 B12R1.367 COC(=O)C1=CC(=C(C=C1)N)O CDS014285 [1,0,1,0,0,0|2,0,0]=4 79 B12R1.367 COC(=O)C1=CC(=C(C=C1)O)N CDS014143 [1,0,1,0,0,0|1,0,0]=3 80 B12R1.367 COC(=O)C1=CC=C(C(=C1)Br)O CDS011072 [1,0,1,0,0,0|2,0,0]=4 81 B12R1.367 COC(=O)C1=CC=C(C(=C1)Cl)O PH011381 [1,0,1,0,0,0|2,0,0]=4 82 B12R1.367 COC(=O)C1=CN(C(=O)C=C1)C S954683 [1,0,1,0,0,0|2,0,0]=4 83 B12R1.435 COC(=O)C1=CC(=CC=C1)CN CDS003045 [1,0,1,0,0,0|1,0,0]=3 84 B12R1.435 COC(=O)C1=CC=CC(=C1)CCl S881988 [1,0,1,0,0,0|1,0,0]=3 85 B12R1.435 COC(=O)C1=CC=CC(=N1)CBr CDS021944 [1,0,1,0,0,0|2,0,0]=4 86 B12R1.435 COC(=O)C1=CC=CC(=N1)CN CDS022894 [1,0,1,0,0,0|2,0,0]=4 87 B12R1.435 COC(=O)C1=NC=CC(=C1)OC ADE000350 [1,0,1,0,0,0|2,0,0]=4 88 B12R1.5 CCC1=CC=C(C=C1)C(=O)CCl OTV000342 [1,0,1,0,0,0|2,0,0]=4 89 B12R1.5 CNC(=O)C1=CC=C(C=C1)CN CBR01678 [1,0,1,0,0,0|1,0,0]=3 90 B12R1.5 CNC(=O)C1=CC=C(C=C1)OC R580058 [1,0,1,0,0,0|2,0,0]=4 91 B12R1.5 CNC(=O)C1=CC=C(C=C1)SC S762156 [1,0,1,0,0,0|2,0,0]=4 92 B12R1.5 CNC1=CC=C(C=C1)C(=O)OC S943266 [1,0,1,0,0,0|1,0,0]=3 93 B12R1.5 COC(=O)C1=CC=C(C=C1)SC JRD0440 [1,0,1,0,0,0|1,0,0]=3 94 B12R1.5 COC(=O)C1=CC=C(N=C1)OC PH011211 [1,0,1,0,0,0|2,0,0]=4 95 B12R1.5 COC(=O)C1=CN=C(C=C1)CO ADE000411 [1,0,1,0,0,0|2,0,0]=4 96 B12R1.5 [C-]#[N+]C1=CC=C(C=C1)C(=O)OC PH015477 [1,0,1,0,0,0|1,0,1]=4 97 B12R1.113 C=CCC1=CC=C(C=C1)C(=O)O CDS019298 [1,0,1,0,0,0|1,0,1]=4 98 B12R1.113 CC(=O)C1=CC=C(C=C1)CC#N PH016847 [1,0,1,0,0,0|0,0,2]=4 99 B12R1.113 CN(C)C1=CC=C(C=C1)CCN CDS010287 [1,0,1,0,0,0|2,0,0]=4 100 B12R1.113 COCC1=CC=C(C=C1)C(=O)O CDS015439 [1,0,1,0,0,0|2,0,0]=4 101 B12R1.113 CS(=O)C1=CC=C(C=C1)CCO S324078 [1,0,1,0,0,0|2,0,0]=4 102 B12R1.113 CSCC1=CC=C(C=C1)C(=O)O OTV000788 [1,0,1,0,0,0|2,0,0]=4 103 B12R1.113 NCCC1=CC=C(C=C1)[N+](=O)[O-] OTV000173 [1,0,1,0,0,0|1,0,1]=4 104 B12R1.116 CCOC1=CC=C(C=C1)CCN PH017152 [1,0,1,0,0,0|2,0,0]=4 105 B12R1.279 CC(=O)C1=CC=CC(=C1)NC=O S921661 [1,0,1,0,0,0|1,0,1]=4 106 B12R1.279 COCC1=CC=CC(=C1)C(=O)O CDS011694 [1,0,1,0,0,0|2,0,0]=4 107 B12R1.48 CCC1=CC=C(C=C1N)[N+](=O)[O-] S752118 [1,0,1,0,0,0|1,0,1]=4 108 B12R1.48 COC1=C(C=C(C=C1)C(=O)C)N PH011636 [1,0,1,0,0,0|1,0,0]=3 109 B12R1.48 COC1=C(C=C(C=C1)C(=O)O)Br S561681 [1,0,1,0,0,0|2,0,0]=4 110 B12R1.48 COC1=CC=C(C=C1C)C(=O)O CDS002965 [1,0,1,0,0,0|2,0,0]=4 111 B12R1.288 C/C=C\C1=CC(=C(C=C1)OC)N L101028 [1,0,1,0,0,0|2,0,0]=4 112 B12R2.44 COC1=CC=C2NCCC2=C1 CDS015727 [2,0,0,0,0,0|2,0,0]=4 113 B12R2.44 COC1=CC=C2OCOC2=C1 PH008541 [2,0,0,0,0,0|2,0,0]=4 114 B12R2.44 O=CC1=CC2=C(C=C1)CCC2 CDS009176 [2,0,0,0,0,0|1,0,0]=3 115 B14R1.436 CCCC1=CC(=CC=C1O)C(=O)OC CDS004406 [0,1,1,0,0,0|2,0,0]=4 116 B14R1.626 CCOC(=O)C1=CC(=C(C=C1)O)OC S459267 [0,1,1,0,0,0|2,0,0]=4 117 B14R1.1864 COC(=O)C1=CC(=C(C=C1)CBr)CBr L158194 [0,1,1,0,0,0|2,0,0]=4 118 B14R1.1864 COC(=O)C1=CC(=C(C=C1)OC)CCl PH014453 [0,1,1,0,0,0|2,0,0]=4 119 B14R1.1864 COC(=O)C1=NC(=C(C=C1)OC)OC ADE000583 [0,1,1,0,0,0|2,0,0]=4 120 B14R1.65 CCCOC1=CC=C(C=C1)C(=O)CC TMT00513 [0,1,1,0,0,0|2,0,0]=4 121 B14R1.65 COC(=O)C1=CC=C(C=C1)CCCN T152439 [0,1,1,0,0,0|0,0,0]=2 122 B14R1.65 COC(=O)C1=CC=C(C=C1)OCC#N EME00020 [0,1,1,0,0,0|0,0,2]=4 123 B14R1.717 COC(=O)C1=CC=C(C=C1)CC(=O)C PH016802 [0,1,1,0,0,0|1,0,1]=4 124 B14R1.718 COC(=O)C1=CC=C(C=C1)C(=O)NN PH018934 [0,1,1,0,0,0|1,0,1]=4 125 B14R1.733 CCC(=O)C1=CC=CC(=C1)NC(=O)C S746916 [0,1,1,0,0,0|1,0,1]=4 126 B14R1.733 COC(=O)C1=CC(=CC=C1)NC(=O)N EME00276 [0,1,1,0,0,0|1,0,1]=4 127 B14R1.733 COC(=O)C1=CC=CC(=C1)CC(=O)C PH016726 [0,1,1,0,0,0|1,0,1]=4 128 B14R1.2294 COC(=O)C1=C(C=C(C(=C1)Br)OC)O L446718 [0,1,1,0,0,0|2,0,0]=4 129 B14R1.2294 COC(=O)C1=CC(=C(C=C1O)OC)O S748501 [0,1,1,0,0,0|2,0,0]=4 130 B14R1.12512 COC(=O)C1=CC(=C(C(=C1)O)OC)O PH005039 [0,1,1,0,0,0|2,0,0]=4 131 B14R2.601 CC(=O)C1=CC2=C(C=C1)OC(C2)C CDS015109 [1,1,0,0,0,0|2,0,0]=4 132 B14R2.601 CC1CC2=CC(=CC=C2O1)C(=O)O CDS014711 [1,1,0,0,0,0|2,0,0]=4 133 B14R2.601 O=C(O)C1=CC=C2N=C(NC2=C1)S CDS016500 [1,1,0,0,0,0|1,0,1]=4 134 B14R2.624 CC(=O)C1=CC2=C(C=C1C)OCO2 S244589 [1,1,0,0,0,0|2,0,0]=4 135 B14R2.624 CC(=O)C1=CC2=C(C=C1C)OCO2 S313661 [1,1,0,0,0,0|2,0,0]=4 136 B14R2.624 O=C(O)C1=C(C=C2N=NNC2=C1)F CDS024586 [1,1,0,0,0,0|2,0,0]=4 137 B14R2.624 O=C(O)C1=C(N=C2CCCC2=C1)Cl CBR02339 [1,1,0,0,0,0|2,0,0]=4 138 B14R2.624 O=C(O)C1=C(N=C2CCCC2=C1)Cl PH017954 [1,1,0,0,0,0|2,0,0]=4 139 B14R2.624 O=C(O)C1=CC2=C(C=C1Br)OCO2 S860115 [1,1,0,0,0,0|2,0,0]=4 140 B14R2.624 O=C(O)C1=CC2=C(CCC2)N=C1O CDS024053 [1,1,0,0,0,0|2,0,0]=4 141 B14R2.5719 CC1=NNC2=CC(=CC=C12)C(=O)O PH018507 [1,1,0,0,0,0|1,0,1]=4 142 B14R2.24358 CN1C=CC2=CC=C(C=C12)C(=O)O CDS018843 [1,1,0,0,0,0|0,0,2]=4 143 B14R2.24358 CN1N=CC2=CC=C(C=C12)C(=O)O CDS023377 [1,1,0,0,0,0|1,0,1]=4 144 B14R2.24358 O=C(O)C1=CC=C2CNC(=O)C2=C1 CDS021049 [1,1,0,0,0,0|2,0,0]=4 145 B14R2.991 CO/N=C/C1=CC=C2OCOC2=C1 PH009274 [1,1,0,0,0,0|2,0,0]=4 146 B14R2.10833 COC(=O)C1=C(SC2=C1CCC2)N R432210 [0,1,0,0,1,0|2,0,0]=4 147 B16R2.767 CCOC(=O)C1=CC=C2OCCOC2=C1 JRD0700 [0,1,0,0,0,1|1,0,0]=3 148 B16R2.1205 COC(=O)C1=CC=C2OCC(=O)NC2=C1 JRD0724 [0,1,0,0,0,1|0,0,1]=3 149 B16R2.1205 COC(=O)C1=CC=C2SCC(=O)NC2=C1 JRD0740 [0,1,0,0,0,1|0,0,1]=3 150 B16R2.33799 COC(=O)C1=CC=C2NC(=O)CCC2=C1 T322709 [0,1,0,0,0,1|1,0,1]=4 151 B16R2.33941 COC(=O)C1=C(N=C2CCCCC2=C1)N CDS024526 [0,1,0,0,0,1|2,0,0]=4 152 B16R2.2183 COC(=O)C(O)C1=CC2=C(C=C1)OCO2 T153346 [0,1,0,0,0,1|2,0,0]=4 153 B16R2.34310 COC(=O)CC1=CC2=C(C=C1Br)OCO2 T153672 [0,1,0,0,0,1|2,0,0]=4 154 B12R0.156 COC(=O)/C=C/C=C(\C)/C(=O)OC S881775 [0,0,2,0,0,0|2,0,0]=4 155 B14R1.3405 COC(=O)CC1=CC=C(C(=C1)OC)O PH003466 [0,0,1,0,0,1|2,0,0]=4 156 B14R1.24 COC(=O)CC1=CC=C(C=C1)CCBr PH016060 [0,0,1,0,0,1|1,0,0]=3 157 B14R2.781 NC(=O)C1=CC2=C(C=C1)OCCO2 EME00451 [1,0,0,0,0,1|2,0,0]=4 158 B14R2.781 O=C(Cl)C1=CC2=C(C=C1)OCCO2 PH009729 [1,0,0,0,0,1|2,0,0]=4 159 B14R2.781 O=C(O)C1=CC=C2CCNCC2=C1 CDS009795 [1,0,0,0,0,1|0,0,0]=2 160 B14R2.781 O=C(O)C1=CC=C2CNCCC2=C1 CDS009405 [1,0,0,0,0,1|1,0,0]=3 161 B14R2.781 O=C(O)C1=CN=C2OCCCC2=C1 ADE001305 [1,0,0,0,0,1|2,0,0]=4 162 B14R2.781 O=C(O)C1=CN=C2OCCOC2=C1 ADE000035 [1,0,0,0,0,1|2,0,0]=4 163 B14R2.781 O=[N+]([O-])C1=CC2=C(C=C1)CCCN2 MNO000018 [1,0,0,0,0,1|1,0,1]=4 164 B14R2.781 O=[N+]([O-])C1=CC2=C(C=C1)OCCN2 OTV000830 [1,0,0,0,0,1|1,0,1]=4 165 B14R2.781 O=[N+]([O-])C1=CC2=C(C=C1)OCCN2 VBP00108 [1,0,0,0,0,1|1,0,1]=4 166 B14R2.781 O=[N+]([O-])C1=CC=C2SCCNC2=C1 VBP00123 [1,0,0,0,0,1|1,0,1]=4 167 B16R2.1230 COC(=O)N1C=CC2=C(C=C1)CCCC2 T167959 [0,0,0,0,0,2|2,0,0]=4 168 B16R2.5347 CNC(=O)OC1=CC2=C(C=C1)CCCC2 PH008963 [0,0,0,0,0,2|2,0,0]=4 169 B16R2.1357 CNC(=O)COC1=CC=C2CCCC2=C1 T316113 [0,0,0,0,0,2|2,0,0]=4 170 B11R1.21 CC(=O)C1=CC(=C(C=C1)C)N CBR02053 [2,0,1,0,0,0|0,0,0]=3 171 B11R1.21 CC(=O)C1=CC=C(C(=C1)N)Cl JRD0473 [2,0,1,0,0,0|1,0,0]=4 172 B11R1.21 CC(=O)C1=CC=C(C(=C1)N)F JRD0487 [2,0,1,0,0,0|1,0,0]=4 173 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)Cl R436089 [2,0,1,0,0,0|1,0,0]=4 174 B11R1.21 CC1=CC(=CC=C1I)C(=O)O PH011378 [2,0,1,0,0,0|1,0,0]=4 175 B11R1.266 NNC1=CC(=CC=C1)C(=O)O CDS001221 [2,0,1,0,0,0|1,0,0]=4 176 B11R1.266 O=C(O)C1=CC=CC(=C1)CBr OTV000175 [2,0,1,0,0,0|1,0,0]=4 177 B11R1.189 CCNC1=CC(=CC=C1)CC PH012321 [2,0,1,0,0,0|0,0,1]=4 178 B11R1.22 CCC(=O)C1=CC=C(C=C1)N PH006875 [2,0,1,0,0,0|1,0,0]=4 179 B11R1.22 CNC(=O)C1=CC=C(C=C1)C R580023 [2,0,1,0,0,0|1,0,0]=4 180 B11R1.22 CNC(=O)C1=CC=C(C=C1)N CDS005578 [2,0,1,0,0,0|1,0,0]=4 181 B11R1.23 CCC(=O)C1=CC=CC(=C1)C PH014761 [2,0,1,0,0,0|1,0,0]=4 182 B11R1.23 CCC(=O)C1=CC=CC(=C1)N PH011160 [2,0,1,0,0,0|1,0,0]=4 183 B11R1.23 CNC(=O)C1=CC(=CC=C1)N CDS003178 [2,0,1,0,0,0|1,0,0]=4 184 B11R1.23 CNC(=O)C1=CC=CC(=C1)C PH007559 [2,0,1,0,0,0|1,0,0]=4 185 B11R1.23 COC(=O)C1=CC(=CC=N1)N CDS021624 [2,0,1,0,0,0|1,0,0]=4 186 B11R1.23 COC(=O)C1=CC=CC(=C1)F CDS020886 [2,0,1,0,0,0|1,0,0]=4 187 B11R1.23 COC(=O)C1=CC=CC(=N1)N CDS005987 [2,0,1,0,0,0|1,0,0]=4 188 B11R1.23 COC(=O)C1=CN=CC(=C1)C PH016250 [2,0,1,0,0,0|1,0,0]=4 189 B11R1.23 COC(=O)C1=C[N+](=CC=C1)C S385360 [2,0,1,0,0,0|1,0,0]=4 190 B11R1.23 COC(=O)[N+]1=CC(=CC=C1)C R434086 [2,0,1,0,0,0|1,0,0]=4 191 B11R1.3 CCC1=CC=C(C=C1)C(=O)N TMT00666 [2,0,1,0,0,0|1,0,0]=4 192 B11R1.83 COC1=CC=C(C=C1)CON CDS015332 [2,0,1,0,0,0|1,0,0]=4 193 B11R1.279 CCC1=CC(=C(C=C1)CC)N PH010292 [2,0,1,0,0,0|0,0,1]=4 194 B11R2.36 FC1=CC=C2CCNC2=C1 CDS008960 [3,0,0,0,0,0|1,0,0]=4 195 B11R2.36 IC1=CC=C2CCNC2=C1 CDS022471 [3,0,0,0,0,0|1,0,0]=4 196 B13R1.50 CNC1=CC(=CC=C1C)S(=O)(=O)O S432970 [1,1,1,0,0,0|1,0,0]=4 197 B13R1.466 CCCC(=O)C1=CC=C(C(=C1)C)C TMT00514 [1,1,1,0,0,0|1,0,0]=4 198 B13R1.466 CCOC(=O)C1=CC(=C(C=C1)C)N T303518 [1,1,1,0,0,0|0,0,0]=3 199 B13R1.466 CCOC(=O)C1=CC=C(C(=C1)C)C S434248 [1,1,1,0,0,0|0,0,0]=3 200 B13R1.510 CC1=C(C=C(C=C1)C(=O)C(C)Br)C OTV000775 [1,1,1,0,0,0|1,0,0]=4 201 B13R1.1807 CCC(=O)C1=C(C=C(C(=C1)C)C)O JRD1482 [1,1,1,0,0,0|1,0,0]=4 202 B13R1.1808 COC(=O)C1=CC=C(C(=C1C)C)C S53318 [1,1,1,0,0,0|0,0,0]=3 203 B13R1.2678 COC(=O)C1=CC(=C(C(=C1)Br)N)N ANV00089 [1,1,1,0,0,0|1,0,0]=4 204 B13R1.82 CCC1=C(C(=CC=C1)C(=O)OC)I S663417 [1,1,1,0,0,0|0,0,0]=3 205 B13R1.82 COC(=O)C1=C(C(=CC=C1)OC)C KOB0145 [1,1,1,0,0,0|1,0,0]=4 206 B13R1.82 COC(=O)C1=CC=CC(=C1N)OC CDS023454 [1,1,1,0,0,0|1,0,0]=4 207 B13R1.314 CCC1=NC(=CC(=C1)C(=O)OC)O JRD1293 [1,1,1,0,0,0|1,0,0]=4 208 B13R1.460 CCOC(=O)C1=CC=CC(=C1)NN CBR00739 [1,1,1,0,0,0|1,0,0]=4 209 B13R1.460 CCOC(=O)C1=CC=CC(=C1)OC TMT00631 [1,1,1,0,0,0|1,0,0]=4 210 B13R1.543 COC(=O)C1=CC=CC(=C1)N(C)C PH011128 [1,1,1,0,0,0|0,0,0]=3 211 B13R1.2431 CCC(=O)C1=C(C=CC(=C1)CC)O JRD1479 [1,1,1,0,0,0|1,0,0]=4 212 B13R1.2431 CCC1=CC=C(C(=C1)C(=O)OC)O JRD0887 [1,1,1,0,0,0|0,0,0]=3 213 B13R1.36 CN(C)C(=O)C1=CC=C(C=C1)CN CBR02275 [1,1,1,0,0,0|1,0,0]=4 214 B13R1.95 COC(=O)C1=CC=C(C=C1N)OC CDS022292 [1,1,1,0,0,0|1,0,0]=4 215 B13R1.452 CCOC(=O)C1=CC=C(C=C1)CBr CDS001471 [1,1,1,0,0,0|1,0,0]=4 216 B13R1.452 CCOC(=O)C1=CC=C(C=C1)CN CDS011342 [1,1,1,0,0,0|0,0,0]=3 217 B13R1.537 CCC(=O)C1=CC=C(C=C1)C(C)C OTV000602 [1,1,1,0,0,0|1,0,0]=4 218 B13R1.537 COC(=O)C1=CC=C(C=C1)N(C)C PH011777 [1,1,1,0,0,0|1,0,0]=4 219 B13R1.74 CC(=O)C1=CC=C(C=C1)NCCO ANV00343 [1,1,1,0,0,0|1,0,0]=4 220 B13R1.74 CCCOC1=CC=C(C=C1)C(=O)C OTV000882 [1,1,1,0,0,0|1,0,0]=4 221 B13R1.74 CCOCC1=CC=C(C=C1)C(=O)O S283428 [1,1,1,0,0,0|1,0,0]=4 222 B13R1.74 CNCCC1=CC=C(C=C1)C(=O)O PH013543 [1,1,1,0,0,0|0,0,0]=3 223 B13R1.74 O=C(O)C1=CC=C(C=C1)OCCBr PH002103 [1,1,1,0,0,0|1,0,0]=4 224 B13R1.74 O=C(O)C1=CC=C(C=C1)OCCCl PH002310 [1,1,1,0,0,0|1,0,0]=4 225 B13R1.74 O=C(O)C1=CC=C(C=C1)OCCO PH003001 [1,1,1,0,0,0|1,0,0]=4 226 B13R1.140 CS(=O)(=O)C1=CC=C(C=C1)CCN CDS013981 [1,1,1,0,0,0|1,0,0]=4 227 B13R1.585 CC(C)CC1=CC=C(C=C1)C(=O)O PH011464 [1,1,1,0,0,0|1,0,0]=4 228 B13R1.587 CC(=O)C1=CC=CC(=C1)OC(C)C CBR00428 [1,1,1,0,0,0|1,0,0]=4 229 B13R1.120 C=C(C)C1=CC=C(C=C1N)C(=O)O S336912 [1,1,1,0,0,0|0,0,1]=4 230 B15R1.383 COC(=O)C1=CC(=C(C(=C1)OC)C)OC PH009819 [0,2,1,0,0,0|1,0,0]=4 231 B15R1.815 CCOC(=O)C1=CC=C(C(=C1)OC)OC PH015326 [0,2,1,0,0,0|1,0,0]=4 232 B15R1.1827 COC(=O)C1=C(C=C(C(=C1)OC)OC)Br PH014663 [0,2,1,0,0,0|1,0,0]=4 233 B15R1.926 COC(=O)C1=C(C=CC(=C1)NC(=O)C)C S307165 [0,2,1,0,0,0|0,0,1]=4 234 B15R2.984 CC(=O)C1=C(C=C2CCCCC2=C1)O PH010255 [1,1,0,0,0,1|1,0,0]=4 235 B15R2.984 CC(=O)C1=C(C=C2OCCOC2=C1)Br PH015534 [1,1,0,0,0,1|1,0,0]=4 236 B15R2.984 O=C(O)C1=CC2=C(C=C1O)CCCC2 CDS023983 [1,1,0,0,0,1|1,0,0]=4 237 B15R2.7174 O=C1COC2=CC=C(C=C2N1)C(=O)O CDS014371 [1,1,0,0,0,1|0,0,1]=4 238 B15R2.13598 CN1CCCC2=C1C=CC(=C2)C(=O)O CDS021627 [1,1,0,0,0,1|1,0,0]=4 239 B15R2.13598 O=C(O)C1=CC=C2C(=O)CCCC2=C1 CDS002748 [1,1,0,0,0,1|1,0,0]=4 240 B17R2.6194 CCOC(=O)C1=CC=C2OCC(=O)NC2=C1 T315389 [0,2,0,0,0,1|0,0,1]=4 241 B17R2.6194 CCOC(=O)C1=CC=C2SCC(=O)NC2=C1 JRD0741 [0,2,0,0,0,1|0,0,1]=4 242 B17R2.357666 COC(=O)C1=CC=C2OC(C(=O)NC2=C1)C JRD0892 [0,2,0,0,0,1|0,0,1]=4 243 B15R2.19139 COC(=O)NC1=C2CCCC2=CC=C1 T167614 [0,0,1,1,0,1|1,0,0]=4 244 B15R3.10159 O=C1CCC2CNC3=CC=CC1=C23 PH009662 [0,0,1,2,0,0|1,0,0]=4 245 B13R1.5 COC(=O)NC1=CC=C(C=C1)OC S640476 [1,0,1,0,0,1|1,0,0]=4 246 B13R2.57 COC1=CC2=C(C=C1)CNCC2 CDS005465 [2,0,0,0,0,1|1,0,0]=4 247 B13R2.57 COC1=CC=C2CNCCC2=C1 CDS002721 [2,0,0,0,0,1|1,0,0]=4