0 B15R2.984 CC1=CC2=C(C=CC=C2)C=C1C(=O)O OR314058 [0,0,0,0,0,0|2,0,0]=2 1 B15R2.984 CC1=NC2=CC=CC=C2N=C1C(=O)[O-] OR310618 [0,0,0,0,0,0|3,0,1]=4 2 B15R2.984 NC1=CC2=CC=CC=C2C=C1C(=O)O OR315769 [0,0,0,0,0,0|2,0,0]=2 3 B15R2.984 O=C(O)C1=NC2=C(C=CC=C2)N=C1Cl OR310057 [0,0,0,0,0,0|3,0,0]=3 4 B15R2.984 O=C([O-])C1=CC2=CC=CC=C2C=C1O OR310806 [0,0,0,0,0,0|1,0,2]=3 5 B15R2.984 OB(O)C1=CC2=CC=CC=C2C=C1O OR360428 [0,0,0,0,0,0|2,0,2]=4 6 B15R2.984 OB(O)C1=CC2=CC=CC=C2N=C1F PC10538 [0,0,0,0,0,0|3,0,1]=4 7 B14R2.781 CC(=O)C1=CC2=CC=CC=C2C=N1 OR300098 [1,0,0,0,0,0|3,0,0]=4 8 B14R2.781 CC(=O)C1=CN=C2C=CC=CC2=C1 OR470156 [1,0,0,0,0,0|2,0,0]=3 9 B14R2.781 O=C(O)C1=CC2=C(C=N1)N=CC=C2 OR300350 [1,0,0,0,0,0|3,0,0]=4 10 B14R2.781 O=C(O)C1=CC=C2N=CN=CC2=C1 OR308084 [1,0,0,0,0,0|3,0,0]=4 11 B14R2.781 O=C(O)C1=CCC2=C(C=CC=C2)O1 OR55166 [1,0,0,0,0,0|2,0,0]=3 12 B14R2.781 O=C(O)C1=CN=C2N=CC=NC2=C1 OR6350 [1,0,0,0,0,0|3,0,0]=4 13 B14R2.1128 N#CC1=CC2=CC=CC=C2OC1=O OR345027 [1,0,0,0,0,0|1,0,1]=3 14 B14R2.1128 O=CC1=C(Cl)N=C2C=CC=CC2=C1 OR322342 [1,0,0,0,0,0|2,0,0]=3 15 B14R2.1128 OCC1=CC2=CC=CC=C2N=C1Cl OR309269 [1,0,0,0,0,0|2,0,1]=4 16 B16R2.3990 O=C1OC2=CC=CC=C2C=C1C(F)(F)F PC0850 [0,1,0,0,0,0|2,0,1]=4 17 B16R2.23520 CC1=NC2=CC(Br)=CC=C2C=C1C(=O)O OR309221 [0,1,0,0,0,0|2,0,0]=3 18 B16R2.23520 CC1=NC2=CC(F)=CC=C2C=C1C(=O)O PC404564 [0,1,0,0,0,0|2,0,0]=3 19 B16R2.23521 CC1=NC2=CC=C(Cl)C=C2C=C1C(=O)O OR309207 [0,1,0,0,0,0|2,0,0]=3 20 B16R2.23521 CC1=NC2=CC=C(F)C=C2C=C1C(=O)O PC1927 [0,1,0,0,0,0|2,0,0]=3 21 B16R2.23521 O=C(O)C1=C(O)C=C2C=CC(O)=CC2=C1 OR322022 [0,1,0,0,0,0|1,0,1]=3 22 B16R2.23521 O=C(O)C1=CC2=C(C=CC(Br)=C2)OC1=O OR21141 [0,1,0,0,0,0|0,0,0]=1 23 B16R2.23521 O=C(O)C1=CC2=C(C=CC(Cl)=C2)N=C1O OR322746 [0,1,0,0,0,0|1,0,1]=3 24 B16R2.33941 O=C(CBr)C1=CC2=CC=CC=C2OC1=O OR345070 [0,1,0,0,0,0|1,0,0]=2 25 B16R2.83668 CC1=C(N)C2=C(C=CC=C2)C=C1C(=O)O OR305559 [0,1,0,0,0,0|2,0,0]=3 26 B14R1.482 CCOC1=CC=CC=C1\C=C\C(=O)O OR311101 [0,0,1,0,0,0|1,0,1]=3 27 B14R2.450 CC(=O)C1=C(N)C2=C(C=CC=C2)O1 OR310709 [0,0,0,0,1,0|3,0,0]=4 28 B14R2.450 NC(=O)C1=C(Cl)C2=C(C=CC=C2)S1 OR21581 [0,0,0,0,1,0|3,0,0]=4 29 B14R2.450 O=C(O)C1=C(Br)C2=CC=CC=C2N1 OR111021 [0,0,0,0,1,0|2,0,0]=3 30 B14R2.450 O=C(O)C1=C(Cl)C2=C(C=CC=C2)N1 OR111187 [0,0,0,0,1,0|2,0,0]=3 31 B14R2.450 O=C(O)C1=C(F)C2=CC=CC=C2N1 PC49193 [0,0,0,0,1,0|2,0,0]=3 32 B14R2.450 O=C(O)C1=C(F)N2C=CC=CC2=N1 PC410192 [0,0,0,0,1,0|3,0,0]=4 33 B14R2.450 O=C(O)C1=C(I)C2=CC=CC=C2N1 OR110213 [0,0,0,0,1,0|2,0,0]=3 34 B14R2.624 O=C(O)C1=CC2=C(C=CS2)C=C1F PC502525 [0,0,0,0,1,0|3,0,0]=4 35 B14R2.642 O=C(O)C1=C(Cl)NC2=C1C=CC=C2 OR305201 [0,0,0,0,1,0|2,0,0]=3 36 B16R2.3989 CC(=O)NC1=CC2=CC=CC=C2OC1=O OR345139 [0,0,0,0,0,1|1,0,0]=2 37 B13R1.90 N#CC1=CC=CC=C1\C=C\C(=O)O OR346331 [1,0,1,0,0,0|1,0,1]=4 38 B13R2.57 C=CC1=CC2=C(C=CC=C2)N=C1 OR400832 [2,0,0,0,0,0|2,0,0]=4 39 B13R2.57 O=CC1=CC2=CC=CC=C2OC1 OR23379 [2,0,0,0,0,0|0,0,1]=3 40 B13R2.369 NC1=CC2=CC=CC=C2OC1=O OR6156 [2,0,0,0,0,0|1,0,0]=3 41 B13R2.369 O=C1OC2=CC=CC=C2C=C1Cl OR345156 [2,0,0,0,0,0|1,0,0]=3 42 B15R2.627 O=C(O)C1=C(F)C2=C(C=CC=C2)C=C1 PC53519 [1,1,0,0,0,0|1,0,0]=3 43 B15R2.627 O=C(O)C1=C(O)C2=CC=CC=C2N=C1 OR307982 [1,1,0,0,0,0|1,0,0]=3 44 B15R2.1601 COC(=O)C1=NC2=C(C=CC=C2)N=C1 OR300583 [1,1,0,0,0,0|2,0,0]=4 45 B15R2.7174 CC1=CC=C2N=CC(C(=O)O)=CC2=C1 OR309217 [1,1,0,0,0,0|1,0,0]=3 46 B15R2.7174 O=C(O)C1=CC2=CC(Br)=CC=C2OC1 OR110565 [1,1,0,0,0,0|0,0,1]=3 47 B15R2.7174 O=C(O)C1=CC2=CC(F)=CC=C2N=C1 PC49031 [1,1,0,0,0,0|1,0,0]=3 48 B15R2.7174 O=C(O)C1=CC2=NC(O)=CC=C2C=C1 OR302278 [1,1,0,0,0,0|2,0,0]=4 49 B15R2.7174 O=C(O)C1=CC=C2N=CC(F)=CC2=C1 PC201183 [1,1,0,0,0,0|2,0,0]=4 50 B15R2.7180 CC1=CC=C2C=C(C(=O)O)C=NC2=C1 OR309231 [1,1,0,0,0,0|1,0,0]=3 51 B15R2.7180 O=C(O)C1=CC2=CC=C(Cl)C=C2N=C1 OR307836 [1,1,0,0,0,0|1,0,0]=3 52 B15R2.7180 O=C(O)C1=CC2=CC=C(F)C=C2C=C1 PC6622 [1,1,0,0,0,0|1,0,0]=3 53 B15R2.7180 O=C(O)C1=CC2=CC=C(F)C=C2N=C1 PC49032 [1,1,0,0,0,0|1,0,0]=3 54 B15R2.13598 CC1=C2N=CC(C(=O)O)=CC2=CC=C1 OR307848 [1,1,0,0,0,0|1,0,0]=3 55 B15R2.13598 O=C(O)C1=CC2=CC=CC(F)=C2N=C1 PC49033 [1,1,0,0,0,0|1,0,0]=3 56 B15R2.14951 O=C(O)C1=CC2=C(C=CC=C2)C(O)=N1 OR470943 [1,1,0,0,0,0|2,0,0]=4 57 B15R2.274 CC1=C(C#N)C(=O)OC2=C1C=CC=C2 OR351014 [1,1,0,0,0,0|1,0,1]=4 58 B15R2.274 NC1=C(C=O)C(=O)C2=C(C=CC=C2)O1 OR322190 [1,1,0,0,0,0|1,0,0]=3 59 B15R2.1754 N#CC1=CC2=C(C=C(O)C=C2)OC1=O OR351001 [1,1,0,0,0,0|1,0,1]=4 60 B15R2.1754 O=CC1=CC2=CC=C(Br)C=C2N=C1Cl OR307818 [1,1,0,0,0,0|2,0,0]=4 61 B15R2.1754 O=CC1=CC2=CC=C(Cl)C=C2N=C1Cl OR307889 [1,1,0,0,0,0|2,0,0]=4 62 B15R2.1754 O=CC1=CC2=CC=C(Cl)C=C2N=C1O OR309255 [1,1,0,0,0,0|1,0,1]=4 63 B15R2.1754 O=CC1=CC2=CC=C(F)C=C2N=C1Cl PC404559 [1,1,0,0,0,0|2,0,0]=4 64 B15R2.1754 O=CC1=CC2=CC=C(O)C=C2N=C1Cl OR471468 [1,1,0,0,0,0|2,0,0]=4 65 B15R2.1824 O=CC1=CC2=CC(Br)=CC=C2N=C1Cl OR309202 [1,1,0,0,0,0|2,0,0]=4 66 B15R2.1824 O=CC1=CC2=CC(Cl)=CC=C2N=C1O OR309254 [1,1,0,0,0,0|1,0,1]=4 67 B15R2.1824 O=CC1=CC2=CC(F)=CC=C2N=C1Cl PC404558 [1,1,0,0,0,0|2,0,0]=4 68 B15R2.2039 CC1=C2N=C(Cl)C(C=O)=CC2=CC=C1 OR309277 [1,1,0,0,0,0|2,0,0]=4 69 B15R2.2393 O=CC1=CC2=C(Cl)C=CC=C2N=C1Cl OR471195 [1,1,0,0,0,0|2,0,0]=4 70 B15R2.1592 COC(=O)C1=C(Br)C2=C(C=CC=C2)N1 OR2760 [0,1,0,0,1,0|2,0,0]=4 71 B15R2.1592 COC(=O)C1=C(Cl)C2=C(C=CC=C2)S1 OR21090 [0,1,0,0,1,0|2,0,0]=4 72 B15R2.1592 COC(=O)C1=C(N)C2=CC=CC=C2O1 OR307758 [0,1,0,0,1,0|2,0,0]=4 73 B15R2.1592 COC(=O)C1=C(O)C2=C(C=CC=C2)N1 OR322584 [0,1,0,0,1,0|1,0,1]=4 74 B15R2.7203 NC1=C(C(=O)O)OC2=C1C=C(Cl)C=C2 OR111414 [0,1,0,0,1,0|2,0,0]=4 75 B15R2.7203 O=C(O)C1=C(Cl)C2=C(C=CC(Br)=C2)S1 OR400498 [0,1,0,0,1,0|2,0,0]=4 76 B15R2.13463 O=C(O)C1=C(Cl)C2=C(S1)C(Br)=CC=C2 OR400507 [0,1,0,0,1,0|2,0,0]=4 77 B15R2.13629 O=C(O)C1=C(Cl)C2=C(C=CC=C2Br)S1 OR400492 [0,1,0,0,1,0|2,0,0]=4 78 B15R2.14758 O=C(O)C1=C(Cl)C2=C(C=C(Br)C=C2)S1 OR400481 [0,1,0,0,1,0|2,0,0]=4 79 B15R2.14758 O=C(O)C1=C(Cl)C2=C(C=C(F)C=C2)S1 PC4255 [0,1,0,0,1,0|2,0,0]=4 80 B15R2.14758 O=C(O)C1=C(O)C2=C(C=C(Br)C=C2)S1 OR300558 [0,1,0,0,1,0|1,0,1]=4 81 B15R2.19393 COC(=O)C1C(=O)CC2=C1C=CC=C2 OR309141 [0,1,0,0,1,0|1,0,1]=4 82 B17R2.38847 CC1=CC2=C(C=C1)OC(=O)C([N+](=O)[O-])=C2Cl OR351250 [0,2,0,0,0,0|1,0,1]=4 83 B17R2.38847 O=C1OC2=C(C=C(F)C=C2)C(Cl)=C1[N+](=O)[O-] PC6509 [0,2,0,0,0,0|1,0,1]=4 84 B17R2.266198 CC1=CC2=C(C=C1)C(Cl)=C([N+](=O)[O-])C(=O)O2 OR351249 [0,2,0,0,0,0|1,0,1]=4 85 B17R2.64947 COC1=CC=C2C=C(C(=O)O)C(C)=NC2=C1 OR309228 [0,2,0,0,0,0|2,0,0]=4 86 B17R2.256806 CC1=CC=C2C=C(C(=O)O)C(C)=NC2=C1C OR307854 [0,2,0,0,0,0|2,0,0]=4 87 B17R2.256806 CC1=NC2=C(C)C(Cl)=CC=C2C=C1C(=O)O OR309224 [0,2,0,0,0,0|2,0,0]=4 88 B17R2.925886 CC1=NC2=CC(Cl)=CC(Cl)=C2C=C1C(=O)O OR309456 [0,2,0,0,0,0|2,0,0]=4 89 B17R2.58255 COC(=O)C1=CC2=CC(Cl)=CC=C2OC1=O OR110613 [0,2,0,0,0,0|0,0,0]=2 90 B17R2.64948 COC1=CC2=CC(C(=O)O)=C(O)C=C2C=C1 OR322304 [0,2,0,0,0,0|1,0,1]=4 91 B17R2.64948 COC1=CC=C2N=C(C)C(C(=O)O)=CC2=C1 OR309215 [0,2,0,0,0,0|2,0,0]=4 92 B17R2.50008 CCOC(=O)C1=CC2=CC=CC=C2N=C1C OR301187 [0,2,0,0,0,0|2,0,0]=4 93 B17R2.911113 CC1=NC2=C(C)C=CC(Cl)=C2C=C1C(=O)O OR307992 [0,2,0,0,0,0|2,0,0]=4 94 B17R2.392577 CCC1=C2N=C(C)C(C(=O)O)=CC2=CC=C1 OR309236 [0,2,0,0,0,0|2,0,0]=4 95 B17R2.392577 COC1=CC=CC2=C1OC(=O)C(C(C)=O)=C2 OR351027 [0,2,0,0,0,0|1,0,0]=3 96 B13R2.72 O=C(Cl)C1=CNC2=C1C=CC=C2 OR111176 [1,0,0,0,1,0|2,0,0]=4 97 B13R2.72 O=C(O)C1=C2C=CC=CN2N=C1 OR308077 [1,0,0,0,1,0|2,0,0]=4 98 B13R2.72 O=C(O)C1=NOC2=CC=CC=C21 OR307757 [1,0,0,0,1,0|1,0,0]=3 99 B13R2.72 OB(O)C1=COC2=C1C=CC=C2 OR360664 [1,0,0,0,1,0|1,0,1]=4 100 B13R2.430 O=C(O)C1=CC2=C(C=C1)SC=C2 OR400942 [1,0,0,0,1,0|2,0,0]=4 101 B13R2.430 O=C(O)C1=CC2=C(C=CS2)C=C1 OR400930 [1,0,0,0,1,0|2,0,0]=4 102 B13R2.430 O=C(O)C1=CN=C2C=COC2=C1 OR314025 [1,0,0,0,1,0|2,0,0]=4 103 B13R2.435 CC(=O)C1=CC2=C(C=CC=C2)S1 OR10146 [1,0,0,0,1,0|1,1,0]=4 104 B13R2.435 O=C(Cl)C1=CC2=CC=CC=C2N1 OR111006 [1,0,0,0,1,0|2,0,0]=4 105 B13R2.435 O=C(O)C1=CC2=NC=CC=C2S1 OR111149 [1,0,0,0,1,0|1,1,0]=4 106 B13R2.45 O=C1C2=CC=CC=C2C\C1=N/O OR26240 [1,0,0,0,1,0|1,0,1]=4 107 B13R2.135 O=CC1=C(S)NC2=C1C=CC=C2 OR300577 [1,0,0,0,1,0|1,1,0]=4 108 B15R1.3565 O=C(O)C[C@H](CC1=CC=CC=C1)C(=O)O OR350350 [0,0,1,0,0,1|0,0,2]=4 109 B15R2.629 CC1=C(CC(=O)O)SC2=C1C=CC=C2 OR26018 [0,0,0,0,1,1|2,0,0]=4