0 B16R2.23521 CC(=O)C1=CC2=C(C=CC(Br)=C2)OC1=O T70578 [0,0,0,0,0,0|3,1,0]=4 1 B16R2.23521 CC1=C(C(=O)O)C=C2C=C(Br)C=CC2=N1 88472 [0,0,0,0,0,0|0,1,0]=1 2 B16R2.23521 O=[N+]([O-])C1=C(Cl)N=C2C=CC(Br)=CC2=C1 F30654 [0,0,0,0,0,0|2,1,1]=4 3 B15R2.984 CC(=O)C1=CC2=C(C=CC=C2)NC1=O 72022 [1,0,0,0,0,0|2,0,1]=4 4 B15R2.984 CC(=O)C1=CC2=CC=CC=C2C=C1O W11378 [1,0,0,0,0,0|3,0,0]=4 5 B15R2.984 CC1=NC2=CC=CC=C2C=C1C(=O)O 88467 [1,0,0,0,0,0|0,0,0]=1 6 B15R2.984 CC1=NC2=CC=CC=C2N=C1C(=O)O C76365 [1,0,0,0,0,0|1,0,0]=2 7 B15R2.984 NC(=O)C1=CC2=CC=CC=C2C=C1N C74429 [1,0,0,0,0,0|3,0,0]=4 8 B15R2.984 NC1=CC2=CC=CC=C2N=C1C(=O)O O10947 [1,0,0,0,0,0|3,0,0]=4 9 B15R2.984 NC1=NC2=CC=CC=C2C=C1C(=O)O AC1535 [1,0,0,0,0,0|1,0,0]=2 10 B15R2.984 O=C(Cl)C1=CC2=CC=CC=C2N=C1Cl 30266 [1,0,0,0,0,0|2,0,0]=3 11 B15R2.984 O=C(O)C1=CC2=CC=CC=C2C=C1I W19073 [1,0,0,0,0,0|2,0,0]=3 12 B15R2.984 O=C(O)C1=CC2=CC=CN=C2NC1=O Y10350 [1,0,0,0,0,0|2,0,1]=4 13 B15R2.984 O=C(O)C1=NC2=CC=CC=C2C=C1O D83313 [1,0,0,0,0,0|3,0,0]=4 14 B15R2.984 O=C(O)C1=NC2=CC=CC=C2N=C1Cl 59685 [1,0,0,0,0,0|2,0,0]=3 15 B15R2.984 O=[N+]([O-])C1=CC2=CC=CC=C2N=C1Cl AC9771 [1,0,0,0,0,0|2,0,1]=4 16 B15R2.984 OB(O)C1=CC2=CC=CC=C2N=C1O W17048 [1,0,0,0,0,0|2,0,1]=4 17 B15R2.7174 CC(=O)C1=CC=C2C=NC(Cl)=CC2=C1 79472 [1,0,0,0,0,0|3,0,0]=4 18 B15R2.7174 CC1=CC=C2C=CC(C(=O)O)=NC2=C1 71890 [1,0,0,0,0,0|3,0,0]=4 19 B15R2.7174 NC(=O)C1=CN=C2C=CC(Br)=CC2=C1 C72189 [1,0,0,0,0,0|1,1,0]=3 20 B15R2.7174 NC1=CC=C2C=CC(C(=O)O)=CC2=N1 D97531 [1,0,0,0,0,0|3,0,0]=4 21 B15R2.7174 NC1=CC=C2N=CC(C(=O)O)=CC2=C1 80385 [1,0,0,0,0,0|1,0,0]=2 22 B15R2.7174 NC1=CN=C2C=CC(C(=O)O)=CC2=C1 33245 [1,0,0,0,0,0|3,0,0]=4 23 B15R2.7174 NC1=NC=C2C=CC(C(=O)O)=CC2=C1 68509 [1,0,0,0,0,0|3,0,0]=4 24 B15R2.7174 O=C(O)C1=CC2=CC(O)=CC=C2C=C1 W17822 [1,0,0,0,0,0|2,0,0]=3 25 B15R2.7174 O=C(O)C1=CC2=CC(O)=CC=C2N=C1 80315 [1,0,0,0,0,0|1,0,0]=2 26 B15R2.7174 O=C(O)C1=CC2=CC(O)=CN=C2C=C1 33294 [1,0,0,0,0,0|3,0,0]=4 27 B15R2.7174 O=C(O)C1=CC2=NC(O)=CC=C2C=C1 CS1524 [1,0,0,0,0,0|3,0,0]=4 28 B15R2.7174 O=C(O)C1=CC=C2C=CC(Br)=CC2=C1 C15879 [1,0,0,0,0,0|1,1,0]=3 29 B15R2.7174 O=C(O)C1=CC=C2C=CC(Br)=CC2=N1 27031 [1,0,0,0,0,0|2,1,0]=4 30 B15R2.7174 O=C(O)C1=CC=C2N=CC(Br)=CC2=C1 33290 [1,0,0,0,0,0|2,1,0]=4 31 B15R2.7174 O=C(O)C1=CN=C2C=CC(Br)=CC2=C1 69444 [1,0,0,0,0,0|0,1,0]=2 32 B15R2.7174 O=C(O)C1=NC=C2C=CC(Br)=CC2=C1 O11561 [1,0,0,0,0,0|2,1,0]=4 33 B17R2.1023 COC1=C(C(=O)O)C=C2C=C(Br)C=CC2=C1 W19542 [0,1,0,0,0,0|1,1,0]=3 34 B15R2.7204 CC1=C(C(=O)O)N2C=C(F)C=CC2=N1 W13696 [0,0,0,0,1,0|1,1,0]=3 35 B15R2.7204 CC1=C(C(=O)O)N2N=C(Cl)C=CC2=N1 26501 [0,0,0,0,1,0|2,0,0]=3 36 B15R2.14758 O=C(O)C1=C(Cl)C2=C(C=C(Cl)C=C2)S1 D78291 [0,0,0,0,1,0|2,0,0]=3 37 B15R2.14758 O=C(O)C1=C(O)C2=C(C=C(Cl)C=C2)S1 C72570 [0,0,0,0,1,0|2,0,0]=3 38 B14R1.1865 COC1=C(\C=C\C(=O)O)C=C(F)C=C1 A12105 [1,0,1,0,0,0|1,1,0]=4 39 B14R2.781 O=C(O)C1=CC2=CC=CN=C2N=C1 C71198 [2,0,0,0,0,0|1,0,0]=3 40 B14R2.781 O=C(O)C1=CC2=CC=NC=C2C=C1 62874 [2,0,0,0,0,0|2,0,0]=4 41 B14R2.781 O=C(O)C1=CC2=CC=NC=C2N=C1 C13312 [2,0,0,0,0,0|1,0,0]=3 42 B14R2.781 O=C(O)C1=CC2=CN=CC=C2C=C1 H10545 [2,0,0,0,0,0|2,0,0]=4 43 B14R2.781 O=C(O)C1=CC2=CN=CC=C2N=C1 K10111 [2,0,0,0,0,0|1,0,0]=3 44 B14R2.781 O=C(O)C1=CC2=NC=CC=C2N=C1 A11739 [2,0,0,0,0,0|1,0,0]=3 45 B14R2.781 O=[N+]([O-])C1=CC2=CC=CC=C2N=C1 O11041 [2,0,0,0,0,0|1,0,1]=4 46 B14R2.1128 O=CC1=CC2=CC=CC=C2C=C1F E70294 [2,0,0,0,0,0|2,0,0]=4 47 B14R2.1128 O=CC1=CC2=CC=CC=C2C=C1O F16157 [2,0,0,0,0,0|2,0,0]=4 48 B14R2.134 O=CC1=CC=C2C=CC(Cl)=CC2=N1 71569 [2,0,0,0,0,0|2,0,0]=4 49 B14R2.134 O=CC1=CC=C2C=NC(Cl)=CC2=C1 78614 [2,0,0,0,0,0|2,0,0]=4 50 B14R2.134 O=CC1=CN=C2C=CC(Br)=CC2=C1 I11231 [2,0,0,0,0,0|0,1,0]=3 51 B14R2.134 O=CC1=CN=C2C=CC(Cl)=CC2=C1 C72467 [2,0,0,0,0,0|0,0,0]=2 52 B14R2.8239 CC1=NC2=C(C=C(Br)C=C2)NC1=O 89333 [2,0,0,0,0,0|1,1,0]=4 53 B14R2.8239 OC1=C(O)N=C2C=C(Cl)C=CC2=N1 26387 [2,0,0,0,0,0|2,0,0]=4 54 B16R2.1612 COC1=NC2=CC=CC=C2C=C1C(C)=O D71912 [1,1,0,0,0,0|1,0,0]=3 55 B16R2.23372 CC1=C(C(=O)O)C(=O)N2C=CC=CC2=N1 71928 [1,1,0,0,0,0|1,0,0]=3 56 B16R2.23520 O=C(O)C1=CC2=C(C=C(O)C=C2)OC1=O 90276 [1,1,0,0,0,0|2,0,0]=4 57 B16R2.33941 COC(=O)C1=CC2=C(C=CC=C2)NC1=O 37147 [1,1,0,0,0,0|1,0,1]=4 58 B16R2.33941 COC(=O)C1=CC2=CC=CC=C2N=C1Cl P10338 [1,1,0,0,0,0|1,0,0]=3 59 B16R2.33941 COC(=O)C1=CC2=CC=NC=C2N=C1Cl 54278 [1,1,0,0,0,0|2,0,0]=4 60 B16R2.83668 CN1C(=O)C(C(=O)O)=CC2=C1C=CC=C2 D82822 [1,1,0,0,0,0|1,0,1]=4 61 B16R2.83668 O=C(O)C1=CC2=CC=CC=C2C(Br)=C1O T70581 [1,1,0,0,0,0|2,0,0]=4 62 B16R2.8614 NC1=C(C=O)C(=O)C2=C(C=CC(Cl)=C2)O1 T71221 [1,1,0,0,0,0|2,0,0]=4 63 B16R2.1205 COC(=O)C1=CC2=CC(N)=CC=C2N=C1 K10012 [1,1,0,0,0,0|1,0,0]=3 64 B16R2.1205 COC(=O)C1=CC2=CC(O)=CC=C2C=C1 N13256 [1,1,0,0,0,0|2,0,0]=4 65 B16R2.1205 COC(=O)C1=CC2=NC(N)=CC=C2N=C1 K10114 [1,1,0,0,0,0|2,0,0]=4 66 B16R2.1205 COC(=O)C1=CC=C2C=NC(Cl)=CC2=C1 79270 [1,1,0,0,0,0|2,0,0]=4 67 B16R2.1205 COC(=O)C1=CC=C2N=CC(Cl)=CC2=C1 P19387 [1,1,0,0,0,0|2,0,0]=4 68 B16R2.1205 COC(=O)C1=CN=C2C=CC(Br)=CC2=C1 S12254 [1,1,0,0,0,0|0,1,0]=3 69 B16R2.12044 CC1=CC=C2N=CC(C(=O)O)=C(O)C2=C1 C11330 [1,1,0,0,0,0|1,0,0]=3 70 B16R2.12044 NC1=C2C=C(F)C=CC2=NN=C1C(=O)O 76007 [1,1,0,0,0,0|1,1,0]=4 71 B16R2.12044 O=C(O)C1=CNC2=C(C=C(I)C=C2)C1=O AB7320 [1,1,0,0,0,0|0,1,1]=4 72 B16R2.12044 O=C1C=CC2=NC=C(C(=O)O)C(O)=C2N1 D82693 [1,1,0,0,0,0|2,0,0]=4 73 B16R2.26103 CC1=CC(C)=C2N=CC(C(=O)O)=CC2=C1 D93288 [1,1,0,0,0,0|1,0,0]=3 74 B16R2.26103 O=C(O)C1=CC=C2C(=C1)C=C(Cl)N=C2Cl D79846 [1,1,0,0,0,0|2,0,0]=4 75 B16R2.26103 O=C(O)C1=CN=C2C(F)=CC(Br)=CC2=C1 P20124 [1,1,0,0,0,0|0,1,0]=3 76 B16R2.133406 O=C(O)C1=CC(O)=C2C=CC(Cl)=CC2=N1 P15444 [1,1,0,0,0,0|2,0,0]=4 77 B16R2.1471 CCC1=C(C(=O)O)N2C=C(Cl)C=CC2=N1 96447 [0,1,0,0,1,0|1,0,0]=3 78 B16R2.453115 COC(=O)C1=C(C)NC2=C1C=C(F)C=C2 D79119 [0,1,0,0,1,0|0,1,1]=4 79 B16R2.33916 COC(=O)C1=C(C)C2=C(C=C(Cl)C=C2)S1 84814 [0,1,0,0,1,0|1,0,0]=3 80 B16R2.12021 CC1=C(CC(=O)O)C2=C(C=CC(Cl)=C2)N1 A51030 [0,0,1,1,0,0|0,0,2]=4 81 B14R2.450 CN1C(C(=O)O)=CC2=C1N=CC=C2 P11863 [1,0,0,0,1,0|2,0,0]=4 82 B14R2.450 CN1C(C(=O)O)=NC2=C1C=CC=C2 C15271 [1,0,0,0,1,0|2,0,0]=4 83 B14R2.450 NC1=C(C(=O)O)SC2=C1C=CC=C2 D96951 [1,0,0,0,1,0|2,0,0]=4 84 B14R2.450 O=C(O)C1=C(Cl)C2=C(C=CC=C2)O1 C76764 [1,0,0,0,1,0|2,0,0]=4 85 B14R2.624 CC1=C(C(=O)O)C=C2C=CNC2=C1 79353 [1,0,0,0,1,0|2,0,0]=4 86 B14R2.624 CC1=C(C(=O)O)C=C2C=CNC2=N1 I10578 [1,0,0,0,1,0|1,0,0]=3 87 B14R2.642 CC(=O)C1=C(C)N=C2C=CC=CN21 24912 [1,0,0,0,1,0|2,0,0]=4 88 B14R2.642 CC1=C(C(=O)O)C2=C(C=NC=C2)N1 90395 [1,0,0,0,1,0|1,0,1]=4 89 B14R2.642 CC1=C(C(=O)O)C2=NC=CC=C2N1 90382 [1,0,0,0,1,0|1,0,1]=4 90 B14R2.642 CC1=C(C(=O)O)N2C=CC=CC2=N1 59883 [1,0,0,0,1,0|1,0,0]=3 91 B14R2.642 CC1=C(C(=O)O)N2C=CC=NC2=N1 71642 [1,0,0,0,1,0|2,0,0]=4 92 B14R2.642 O=C(O)C1=C(Cl)N=C2C=CC=CN21 C13795 [1,0,0,0,1,0|2,0,0]=4 93 B14R2.19008 CC1=C(C=O)C2=C(C=CC(Cl)=C2)N1 AT15908 [1,0,0,0,1,0|0,0,1]=3 94 B14R2.601 O=C(O)C1=CC2=C(C=C1)OC(Cl)=C2 D85341 [1,0,0,0,1,0|2,0,0]=4 95 B14R2.4529 CC1=CC2=C(C=C1)C=C(C(=O)O)S2 36036 [1,0,0,0,1,0|2,0,0]=4 96 B14R2.4529 CC1=CC2=C(C=C1)N=C(C(=O)O)S2 72139 [1,0,0,0,1,0|2,0,0]=4 97 B14R2.4529 NC1=CC2=C(C=C1)NC(C(=O)O)=C2 33854 [1,0,0,0,1,0|1,0,1]=4 98 B14R2.4529 NC1=CC2=C(C=C1)OC(C(=O)O)=C2 C15800 [1,0,0,0,1,0|2,0,0]=4 99 B14R2.4529 NC1=CN2C=C(C(=O)O)N=C2C=C1 68922 [1,0,0,0,1,0|2,0,0]=4 100 B14R2.4529 O=C(O)C1=CC2=C(C=C(Br)C=C2)O1 87196 [1,0,0,0,1,0|1,1,0]=4 101 B14R2.4529 O=C(O)C1=CC2=C(C=C(Cl)C=C2)O1 66237 [1,0,0,0,1,0|1,0,0]=3 102 B14R2.4529 O=C(O)C1=CC2=C(C=C(F)C=C2)O1 O11593 [1,0,0,0,1,0|1,1,0]=4 103 B14R2.4529 O=C(O)C1=CC2=C(C=C(O)C=C2)N1 62484 [1,0,0,0,1,0|2,0,0]=4 104 B14R2.4529 O=C(O)C1=CC2=C(C=C(O)C=C2)O1 AC2155 [1,0,0,0,1,0|2,0,0]=4 105 B14R2.4529 O=C(O)C1=CC2=C(C=C(O)C=C2)S1 12913 [1,0,0,0,1,0|2,0,0]=4 106 B14R2.4529 O=C(O)C1=CC2=C(C=CC(F)=C2)O1 W10186 [1,0,0,0,1,0|1,1,0]=4 107 B14R2.4529 O=C(O)C1=CC2=C(C=CC(O)=C2)N1 82246 [1,0,0,0,1,0|1,0,1]=4 108 B14R2.4529 O=C(O)C1=CC2=C(C=CC(O)=C2)O1 Y11630 [1,0,0,0,1,0|2,0,0]=4 109 B14R2.4529 O=C(O)C1=CC2=CC(Cl)=NC=C2N1 73384 [1,0,0,0,1,0|1,0,1]=4 110 B14R2.4529 O=C(O)C1=CC2=CN=C(Cl)C=C2N1 27545 [1,0,0,0,1,0|2,0,0]=4 111 B14R2.4529 O=C(O)C1=CC2=NC=C(Cl)C=C2N1 38418 [1,0,0,0,1,0|2,0,0]=4 112 B14R2.4529 O=C(O)C1=CN2C=C(Br)C=CC2=C1 55174 [1,0,0,0,1,0|1,1,0]=4 113 B14R2.4529 O=C(O)C1=CN2C=C(O)C=CC2=N1 F52637 [1,0,0,0,1,0|2,0,0]=4 114 B14R2.4529 O=C(O)C1=CN2C=CC(Cl)=CC2=N1 68914 [1,0,0,0,1,0|2,0,0]=4 115 B14R2.4529 O=C(O)C1=NC2=C(C=C(Br)C=C2)S1 28145 [1,0,0,0,1,0|1,1,0]=4 116 B14R2.4529 O=C(O)C1=NC2=C(C=C(Cl)C=C2)S1 27027 [1,0,0,0,1,0|1,0,0]=3 117 B14R2.4529 O=C(O)C1=NC2=C(C=C(F)C=C2)O1 D96822 [1,0,0,0,1,0|1,1,0]=4 118 B14R2.4529 O=C(O)C1=NC2=C(C=C(O)C=C2)N1 P16499 [1,0,0,0,1,0|2,0,0]=4 119 B14R2.4529 O=C(O)C1=NC2=C(N=C(Cl)C=C2)N1 FD7078 [1,0,0,0,1,0|2,0,0]=4 120 B14R2.4529 O=C(O)C1=NN2C=C(Cl)C=CC2=C1 P11146 [1,0,0,0,1,0|2,0,0]=4 121 B14R2.4529 O=C(O)C1=NN2C=CC(Cl)=CC2=N1 P17807 [1,0,0,0,1,0|2,0,0]=4 122 B14R2.5816 CC(=O)C1=CNC2=C1C=C(Cl)C=C2 35116 [1,0,0,0,1,0|1,0,1]=4 123 B14R2.5816 CC1=CC2=C(C(=O)O)C=NN2C=C1 D86306 [1,0,0,0,1,0|2,0,0]=4 124 B14R2.5816 NC1=CC2=C(C=C1)NC=C2C(=O)O Y14721 [1,0,0,0,1,0|1,0,1]=4 125 B14R2.5816 O=C(O)C1=C2C=C(Br)C=CN2N=C1 P12487 [1,0,0,0,1,0|1,1,0]=4 126 B14R2.5816 O=C(O)C1=C2C=C(Cl)C=CN2N=C1 D80211 [1,0,0,0,1,0|1,0,0]=3 127 B14R2.5816 O=C(O)C1=CN=C2C=CC(Cl)=NN12 O11582 [1,0,0,0,1,0|2,0,0]=4 128 B14R2.5816 O=C(O)C1=CN=C2C=CC(F)=CN12 93427 [1,0,0,0,1,0|1,1,0]=4 129 B14R2.5816 O=C(O)C1=CNC2=C1C=C(O)C=C2 O11444 [1,0,0,0,1,0|1,0,1]=4 130 B14R2.5816 O=C(O)C1=CNC2=C1N=C(Cl)C=C2 P11564 [1,0,0,0,1,0|1,0,1]=4 131 B14R2.5816 O=C(O)C1=CNC2=CN=C(Cl)C=C21 76258 [1,0,0,0,1,0|1,0,1]=4 132 B14R2.5816 O=C(O)C1=CSC2=C1C=C(Br)C=C2 F30058 [1,0,0,0,1,0|1,1,0]=4 133 B14R2.5816 O=C(O)C1=NN=C2C=CC(Cl)=CN21 P20926 [1,0,0,0,1,0|2,0,0]=4 134 B14R2.24358 O=C(O)C1=CC2=C(N=C1)NC=C2Br P12152 [1,0,0,0,1,0|1,1,0]=4 135 B14R2.24358 O=C(O)C1=CC2=C(N=C1)NC=C2I P10983 [1,0,0,0,1,0|1,1,0]=4 136 B16R2.23502 CC1=CC(C(=O)O)=C2C=C(Br)C=CC2=N1 71117 [0,0,0,0,1,1|0,1,0]=3 137 B16R2.23502 CC1=NC2=CC=C(O)C=C2C(C(=O)O)=C1 W16858 [0,0,0,0,1,1|1,0,0]=3 138 B16R2.133456 O=C(O)C1=C(O)C2=CC=C(O)C=C2C=C1 N11816 [0,0,0,0,1,1|2,0,0]=4 139 B16R2.133456 O=C(O)C1=CN=C2C=C(Br)C=CC2=C1O 34900 [0,0,0,0,1,1|1,1,0]=4