0 B16R2.23521 CC1=C(C(=O)O)C=C2C=C(Br)C=CC2=N1 B62235 [0,0,0,0,0,0|0,1,0]=1 1 B16R2.23521 O=C(O)C1=C(O)C=C2C=CC(Br)=CC2=C1 B55209 [0,0,0,0,0,0|2,1,0]=3 2 B16R2.23521 O=C(O)C1=CC2=CC(O)=CC=C2C=C1O D55298 [0,0,0,0,0,0|3,0,0]=3 3 B16R2.23521 O=[N+]([O-])C1=C(Cl)N=C2C=CC(Br)=CC2=C1 B63828 [0,0,0,0,0,0|2,1,1]=4 4 B15R2.984 NC(=O)C1=CC2=CC=CC=C2C=C1N A54266 [1,0,0,0,0,0|3,0,0]=4 5 B15R2.984 NC1=CC2=CC=CC=C2C=C1C(=O)O A55353 [1,0,0,0,0,0|2,0,0]=3 6 B15R2.984 O=C(O)C1=CC2=C(C=CC=C2)NC1=O X12282 [1,0,0,0,0,0|1,0,1]=3 7 B15R2.984 O=C(O)C1=CC2=CC=CC=C2C=C1O H68929 [1,0,0,0,0,0|2,0,0]=3 8 B15R2.984 O=C(O)C1=CC2=CC=CC=C2N=C1Cl C25139 [1,0,0,0,0,0|1,0,0]=2 9 B15R2.984 O=C(O)C1=CC2=CC=CN=C2NC1=O X50830 [1,0,0,0,0,0|2,0,1]=4 10 B15R2.1824 CC1=CC=C2N=C(Cl)C(C=O)=CC2=C1 C55290 [1,0,0,0,0,0|2,0,0]=3 11 B15R2.7174 NC(=O)C1=CN=C2C=CC(Br)=CC2=C1 B53532 [1,0,0,0,0,0|1,1,0]=3 12 B15R2.7174 O=C(O)C1=CC2=C(C=CC(Cl)=C2)OC1 C53606 [1,0,0,0,0,0|1,0,1]=3 13 B15R2.7174 O=C(O)C1=CC2=CC(O)=CN=C2C=C1 H53578 [1,0,0,0,0,0|3,0,0]=4 14 B15R2.7174 O=C(O)C1=CC=C2C=CC(Br)=CC2=C1 B61312 [1,0,0,0,0,0|1,1,0]=3 15 B15R2.7174 O=C(O)C1=CC=C2C=CC(Br)=CC2=N1 B53451 [1,0,0,0,0,0|2,1,0]=4 16 B15R2.7174 O=C(O)C1=CN=C2C=CC(Br)=CC2=C1 B25451 [1,0,0,0,0,0|0,1,0]=2 17 B15R2.7174 O=C(O)C1=CN=C2C=CC(Cl)=CC2=C1 C53463 [1,0,0,0,0,0|0,0,0]=1 18 B15R2.7174 O=C(O)C1=NC=C2C=CC(Br)=CC2=C1 B38195 [1,0,0,0,0,0|2,1,0]=4 19 B17R2.64948 COC1=CC=C2C=C(O)C(C(=O)O)=CC2=C1 H55624 [0,1,0,0,0,0|3,0,0]=4 20 B17R2.912270 O=C(O)C1=CC2=CC(Br)=CC=C2C(Br)=C1O D55174 [0,1,0,0,0,0|2,1,0]=4 21 B15R2.7204 CC1=C(C(=O)O)N2C=C(Cl)C=CC2=N1 C61512 [0,0,0,0,1,0|1,0,0]=2 22 B15R2.7204 CC1=C(C(=O)O)N2N=C(Cl)C=CC2=N1 C9845 [0,0,0,0,1,0|2,0,0]=3 23 B15R2.7204 NC1=C(C(=O)O)C2=C(C=CC(Br)=C2)N1 A63748 [0,0,0,0,1,0|1,1,1]=4 24 B15R2.14758 CN1C(C(=O)O)=CC2=C1C=CC(Cl)=C2 C67786 [0,0,0,0,1,0|1,0,0]=2 25 B14R2.781 CC(=O)C1=CC2=CC=CC=C2C=C1 N64544 [2,0,0,0,0,0|2,0,0]=4 26 B14R2.781 CC(=O)C1=NC2=CC=CC=C2N=C1 Q63133 [2,0,0,0,0,0|2,0,0]=4 27 B14R2.781 NC(=O)C1=CC2=CC=CC=C2C=C1 N69496 [2,0,0,0,0,0|2,0,0]=4 28 B14R2.781 O=C(O)C1=CC2=CC=CC=C2C=N1 I3901 [2,0,0,0,0,0|2,0,0]=4 29 B14R2.781 O=C(O)C1=CC2=CC=CC=C2C=N1 Q9606 [2,0,0,0,0,0|2,0,0]=4 30 B14R2.781 O=C(O)C1=CC2=CC=CC=C2N=C1 Q53568 [2,0,0,0,0,0|0,0,0]=2 31 B14R2.781 O=C(O)C1=CC2=CC=CN=C2C=C1 Q4615 [2,0,0,0,0,0|2,0,0]=4 32 B14R2.781 O=C(O)C1=CC2=CC=CN=C2N=C1 N50816 [2,0,0,0,0,0|1,0,0]=3 33 B14R2.781 O=C(O)C1=CC2=CC=NC=C2C=C1 Q9590 [2,0,0,0,0,0|2,0,0]=4 34 B14R2.781 O=C(O)C1=CC2=CC=NC=C2N=C1 N64834 [2,0,0,0,0,0|1,0,0]=3 35 B14R2.781 O=C(O)C1=CC2=NC=CC=C2C=C1 Q16429 [2,0,0,0,0,0|2,0,0]=4 36 B14R2.781 O=C(O)C1=NC2=CC=CC=C2N=C1 Q67454 [2,0,0,0,0,0|1,0,0]=3 37 B14R2.781 OB(O)C1=CC2=CC=CC=C2N=C1 Q5136 [2,0,0,0,0,0|1,0,1]=4 38 B14R2.1128 O=CC1=CC2=CC=CC=C2N=C1Cl C53477 [2,0,0,0,0,0|1,0,0]=3 39 B14R2.134 O=CC1=CN=C2C=CC(Br)=CC2=C1 B53475 [2,0,0,0,0,0|0,1,0]=3 40 B14R2.134 O=CC1=CN=C2C=CC(Cl)=CC2=C1 C53479 [2,0,0,0,0,0|0,0,0]=2 41 B16R2.1612 COC1=NC2=CC=CC=C2C=C1B(O)O M52382 [1,1,0,0,0,0|1,0,1]=4 42 B16R2.23372 O=C(O)C1=C(O)C2=CC=CC=C2C=C1O D55297 [1,1,0,0,0,0|2,0,0]=4 43 B16R2.23520 O=C(O)C1=CC2=C(C=C(Br)C=C2)OC1=O B62287 [1,1,0,0,0,0|2,0,0]=4 44 B16R2.33941 COC(=O)C1=CC2=C(C=CC=C2)NC1=O M10249 [1,1,0,0,0,0|1,0,1]=4 45 B16R2.33941 COC(=O)C1=CC2=CC=CC=C2N=C1Cl M12280 [1,1,0,0,0,0|1,0,0]=3 46 B16R2.33941 COC(=O)C1=CC2=CC=CC=C2N=C1N M54285 [1,1,0,0,0,0|1,0,0]=3 47 B16R2.1205 COC(=O)C1=CC2=CC(O)=CC=C2C=C1 M55620 [1,1,0,0,0,0|2,0,0]=4 48 B16R2.1205 COC(=O)C1=CN=C2C=CC(Br)=CC2=C1 M55266 [1,1,0,0,0,0|0,1,0]=3 49 B16R2.3885 O=C(O)C1=CN=C2C=C(F)C(F)=CC2=N1 D60143 [1,1,0,0,0,0|1,1,0]=4 50 B16R2.12044 O=C(O)C1=CN=C2C=CC(Br)=CC2=C1O B4235 [1,1,0,0,0,0|0,1,0]=3 51 B16R2.12044 O=C(O)C1=CN=C2C=CC(Br)=CN2C1=O B13319 [1,1,0,0,0,0|1,1,0]=4 52 B16R2.12044 O=C(O)C1=CN=C2C=CC(F)=CC2=C1O F53473 [1,1,0,0,0,0|0,1,0]=3 53 B16R2.12044 O=[N+]([O-])C1=CN=C2C=CC(Cl)=CC2=C1O C50694 [1,1,0,0,0,0|1,0,1]=4 54 B16R2.133406 O=C(O)C1=CC(O)=C2C=CC(Cl)=CC2=N1 C29736 [1,1,0,0,0,0|2,0,0]=4 55 B16R2.453115 COC(=O)C1=C2C=C(Br)C=CC2=NN1C M15697 [0,1,0,0,1,0|1,1,0]=4 56 B16R2.12021 CC1=C(CC(=O)O)C2=C(C=CC(Cl)=C2)N1 C63967 [0,0,1,1,0,0|0,0,2]=4 57 B14R2.450 CC1=C(C(=O)O)NC2=C1C=CC=C2 M16318 [1,0,0,0,1,0|1,0,0]=3 58 B14R2.450 CC1=C(C(=O)O)OC2=C1C=CC=C2 M22616 [1,0,0,0,1,0|1,0,0]=3 59 B14R2.450 CN1C(C(=O)O)=CC2=C1C=CC=C2 M20601 [1,0,0,0,1,0|1,0,0]=3 60 B14R2.450 O=C(O)C1=C(Br)C2=C(C=CC=C2)N1 B50864 [1,0,0,0,1,0|2,0,0]=4 61 B14R2.450 O=C(O)C1=C(Cl)C2=C(C=CC=C2)O1 C50779 [1,0,0,0,1,0|2,0,0]=4 62 B14R2.624 CC1=C(C(=O)O)C=C2C=CNC2=N1 M25956 [1,0,0,0,1,0|1,0,0]=3 63 B14R2.642 CC(=O)C1=C(C)N=C2C=CC=CN21 M52299 [1,0,0,0,1,0|2,0,0]=4 64 B14R2.642 CC1=C(C(=O)O)C2=C(C=NC=C2)N1 M51404 [1,0,0,0,1,0|1,0,1]=4 65 B14R2.642 CC1=C(C(=O)O)C2=C(N=CC=C2)N1 M13000 [1,0,0,0,1,0|1,0,1]=4 66 B14R2.642 CC1=C(C(=O)O)N2C=CC=CC2=N1 M22373 [1,0,0,0,1,0|1,0,0]=3 67 B14R2.642 CN1N=C2C=CC=CC2=C1C(=O)O M9336 [1,0,0,0,1,0|1,0,0]=3 68 B14R2.642 O=C(O)C1=C(Cl)N=C2C=CC=CN21 C69698 [1,0,0,0,1,0|2,0,0]=4 69 B14R2.19008 CN1N=C2C=CC(Br)=CC2=C1C=O B18018 [1,0,0,0,1,0|1,1,0]=4 70 B14R2.4529 CC1=CC2=C(C=C1)C=C(C(=O)O)N2 M21987 [1,0,0,0,1,0|2,0,0]=4 71 B14R2.4529 CC1=CC2=C(C=C1)C=C(C(=O)O)S2 M20000 [1,0,0,0,1,0|2,0,0]=4 72 B14R2.4529 CC1=CC2=C(C=C1)NC(C(=O)O)=C2 M53943 [1,0,0,0,1,0|1,0,1]=4 73 B14R2.4529 CC1=CN2C=C(C(=O)O)N=C2C=C1 M51401 [1,0,0,0,1,0|2,0,0]=4 74 B14R2.4529 NC(=O)C1=CC2=C(C=CC(Cl)=C2)N1 C38242 [1,0,0,0,1,0|1,0,1]=4 75 B14R2.4529 NC1=CC2=C(C=C1)OC(C(=O)O)=C2 A66229 [1,0,0,0,1,0|2,0,0]=4 76 B14R2.4529 NC1=CC2=C(C=C1)SC(C(=O)O)=C2 A51196 [1,0,0,0,1,0|2,0,0]=4 77 B14R2.4529 O=C(O)C1=CC2=C(C=C(Br)C=C2)N1 B13084 [1,0,0,0,1,0|1,1,0]=4 78 B14R2.4529 O=C(O)C1=CC2=C(C=C(Br)C=C2)O1 B60538 [1,0,0,0,1,0|1,1,0]=4 79 B14R2.4529 O=C(O)C1=CC2=C(C=C(Br)C=C2)S1 B12709 [1,0,0,0,1,0|1,1,0]=4 80 B14R2.4529 O=C(O)C1=CC2=C(C=C(Cl)C=C2)S1 C50770 [1,0,0,0,1,0|1,0,0]=3 81 B14R2.4529 O=C(O)C1=CC2=C(C=C(F)C=C2)N1 F4742 [1,0,0,0,1,0|1,1,0]=4 82 B14R2.4529 O=C(O)C1=CC2=C(C=C(F)C=C2)O1 F63917 [1,0,0,0,1,0|1,1,0]=4 83 B14R2.4529 O=C(O)C1=CC2=C(C=C(O)C=C2)N1 H51210 [1,0,0,0,1,0|2,0,0]=4 84 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Br)=C2)N1 B4773 [1,0,0,0,1,0|0,1,1]=4 85 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Br)=C2)O1 B50778 [1,0,0,0,1,0|1,1,0]=4 86 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Br)=C2)S1 B12681 [1,0,0,0,1,0|1,1,0]=4 87 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Cl)=C2)N1 C9530 [1,0,0,0,1,0|0,0,1]=3 88 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Cl)=C2)O1 C50780 [1,0,0,0,1,0|1,0,0]=3 89 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Cl)=N2)N1 C12532 [1,0,0,0,1,0|1,0,1]=4 90 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Cl)=N2)N1 C4191 [1,0,0,0,1,0|1,0,1]=4 91 B14R2.4529 O=C(O)C1=CC2=C(C=CC(O)=C2)N1 H51209 [1,0,0,0,1,0|1,0,1]=4 92 B14R2.4529 O=C(O)C1=CC2=C(C=CC(O)=C2)O1 H51002 [1,0,0,0,1,0|2,0,0]=4 93 B14R2.4529 O=C(O)C1=CC2=C(N=C(Cl)C=C2)N1 C4190 [1,0,0,0,1,0|2,0,0]=4 94 B14R2.4529 O=C(O)C1=CC2=CC(Cl)=NC=C2N1 C4188 [1,0,0,0,1,0|1,0,1]=4 95 B14R2.4529 O=C(O)C1=CC2=NC=C(Cl)C=C2N1 C7929 [1,0,0,0,1,0|2,0,0]=4 96 B14R2.4529 O=C(O)C1=CN2C=C(Br)C=CC2=C1 B61317 [1,0,0,0,1,0|1,1,0]=4 97 B14R2.4529 O=C(O)C1=CN2C=C(Br)C=CC2=N1 B7464 [1,0,0,0,1,0|1,1,0]=4 98 B14R2.4529 O=C(O)C1=CN2C=C(Cl)C=CC2=N1 C47583 [1,0,0,0,1,0|1,0,0]=3 99 B14R2.4529 O=C(O)C1=CN2C=C(F)C=CC2=N1 F47596 [1,0,0,0,1,0|1,1,0]=4 100 B14R2.4529 O=C(O)C1=CN2C=C(O)C=CC2=N1 H63800 [1,0,0,0,1,0|2,0,0]=4 101 B14R2.4529 O=C(O)C1=CN2N=C(Cl)C=CC2=N1 C9507 [1,0,0,0,1,0|2,0,0]=4 102 B14R2.4529 O=C(O)C1=NC2=C(C=C(Br)C=C2)S1 B13968 [1,0,0,0,1,0|1,1,0]=4 103 B14R2.4529 O=C(O)C1=NC2=C(C=CC(Cl)=C2)S1 C60432 [1,0,0,0,1,0|2,0,0]=4 104 B14R2.4529 O=C(O)C1=NC2=C(N=C(Cl)C=C2)N1 C26613 [1,0,0,0,1,0|2,0,0]=4 105 B14R2.4529 O=C(O)C1=NN2C=C(Cl)C=CC2=C1 C5621 [1,0,0,0,1,0|2,0,0]=4 106 B14R2.4529 O=C(O)C1=NN2C=CC(Br)=CC2=C1 B11335 [1,0,0,0,1,0|1,1,0]=4 107 B14R2.5816 CC(=O)C1=CNC2=C1C=C(Cl)C=C2 C53787 [1,0,0,0,1,0|1,0,1]=4 108 B14R2.5816 CC1=CC2=C(C=C1)NC=C2C(=O)O M53944 [1,0,0,0,1,0|1,0,1]=4 109 B14R2.5816 NC1=CC2=C(C(=O)O)C=NN2C=C1 A37563 [1,0,0,0,1,0|2,0,0]=4 110 B14R2.5816 O=C(O)C1=C2C=C(Br)C=CN2N=C1 B13950 [1,0,0,0,1,0|1,1,0]=4 111 B14R2.5816 O=C(O)C1=C2C=C(Cl)C=CN2N=C1 C47585 [1,0,0,0,1,0|1,0,0]=3 112 B14R2.5816 O=C(O)C1=C2N=C(Cl)C=CN2N=C1 C11433 [1,0,0,0,1,0|2,0,0]=4 113 B14R2.5816 O=C(O)C1=CN=C2C=CC(Br)=CN12 B12876 [1,0,0,0,1,0|1,1,0]=4 114 B14R2.5816 O=C(O)C1=CN=C2C=CC(Cl)=CN12 C37526 [1,0,0,0,1,0|1,0,0]=3 115 B14R2.5816 O=C(O)C1=CN=C2C=CC(Cl)=NN12 C44398 [1,0,0,0,1,0|2,0,0]=4 116 B14R2.5816 O=C(O)C1=CNC2=C1C=C(Br)C=C2 B16214 [1,0,0,0,1,0|0,1,1]=4 117 B14R2.5816 O=C(O)C1=CNC2=C1C=C(Cl)C=C2 C50877 [1,0,0,0,1,0|0,0,1]=3 118 B14R2.5816 O=C(O)C1=CNC2=C1C=C(F)C=C2 F50887 [1,0,0,0,1,0|0,1,1]=4 119 B14R2.5816 O=C(O)C1=CNC2=C1C=C(I)C=C2 K61999 [1,0,0,0,1,0|0,1,1]=4 120 B14R2.5816 O=C(O)C1=CNC2=CN=C(Cl)C=C21 C47587 [1,0,0,0,1,0|1,0,1]=4 121 B14R2.5816 O=C(O)C1=CNC2=NC=C(Cl)C=C12 C27043 [1,0,0,0,1,0|1,0,1]=4 122 B14R2.5816 O=C(O)C1=NNC2=C1C=C(Cl)C=C2 C16424 [1,0,0,0,1,0|1,0,1]=4 123 B14R2.24358 CC1=CNC2=NC=C(C(=O)O)C=C12 M13786 [1,0,0,0,1,0|2,0,0]=4 124 B14R2.24358 O=C(O)C1=CC2=C(N=C1)NC=C2I I12409 [1,0,0,0,1,0|1,1,0]=4 125 B16R2.133456 O=C(O)C1=CN=C2C=C(Br)C=CC2=C1O B53471 [0,0,0,0,1,1|1,1,0]=4