0 B14R2.8239 CC1=C(O)C=C2C=CC(F)=CC2=N1 95154 [0,0,0,0,0,0|1,1,1]=3 1 B14R2.8239 C[C@H]1CC2=C(C=C(O)C=C2)NC1=O 92261 [0,0,0,0,0,0|2,0,2]=4 2 B14R2.8239 NC1=CC=C2C=C(Br)C(Cl)=NC2=C1 E71225 [0,0,0,0,0,0|3,0,1]=4 3 B14R2.8239 O=C1NC2=C(C=C(Cl)C=C2)C=C1O 67214 [0,0,0,0,0,0|2,0,2]=4 4 B14R2.8239 O=C1NC2=C(C=CC(Br)=C2)C=C1O 67965 [0,0,0,0,0,0|0,1,0]=1 5 B13R2.155 CC1=CC2=C(C=CC(=O)N2)N=C1 91722 [1,0,0,0,0,0|2,0,0]=3 6 B13R2.155 CC1=CC=C2C=CC(Br)=CC2=C1 O10697 [1,0,0,0,0,0|2,1,0]=4 7 B13R2.155 CC1=CC=C2C=CC(Cl)=NC2=N1 AT15926 [1,0,0,0,0,0|2,0,1]=4 8 B13R2.155 ClC1=CC=C2C=CC(Cl)=NC2=C1 80787 [1,0,0,0,0,0|1,0,1]=3 9 B13R2.155 ClC1=CN=C2C=CC(Cl)=NC2=C1 91728 [1,0,0,0,0,0|2,0,1]=4 10 B13R2.155 NC1=CC2=C(C=C1)COC(=O)N2 AC2800 [1,0,0,0,0,0|2,0,1]=4 11 B13R2.155 NC1=CC2=C(C=C1)NCC(=O)N2 51502 [1,0,0,0,0,0|2,0,1]=4 12 B13R2.155 NC1=CC2=C(C=C1)SCC(=O)N2 C91656 [1,0,0,0,0,0|2,0,1]=4 13 B13R2.155 NC1=NC=C2C=CC(Cl)=CC2=N1 AC5052 [1,0,0,0,0,0|2,0,1]=4 14 B13R2.155 O=C1C=CC2=C(C=C(F)C=C2)O1 D83247 [1,0,0,0,0,0|1,1,0]=3 15 B13R2.155 O=C1CNC2=NC=C(Cl)C=C2N1 97245 [1,0,0,0,0,0|2,0,1]=4 16 B13R2.155 O=C1COC2=C(C=C(Cl)C=C2)C1 36498 [1,0,0,0,0,0|2,0,1]=4 17 B13R2.155 O=C1CSC2=NC=C(Cl)C=C2N1 F30652 [1,0,0,0,0,0|2,0,1]=4 18 B13R2.155 O=C1N=CC2=C(C=C(Br)C=C2)N1 F15807 [1,0,0,0,0,0|1,1,0]=3 19 B13R2.155 O=C1N=CC2=C(C=C(Cl)C=C2)N1 F15805 [1,0,0,0,0,0|1,0,0]=2 20 B13R2.155 O=C1N=CC2=C(C=C(F)C=C2)N1 F15808 [1,0,0,0,0,0|1,1,0]=3 21 B13R2.155 O=C1NC2=C(C=CC(F)=C2)CO1 AC4752 [1,0,0,0,0,0|1,1,1]=4 22 B13R2.155 O=C1NCC2=C(C=C(Br)C=C2)N1 I10948 [1,0,0,0,0,0|1,1,1]=4 23 B13R2.155 OC1=CC=C2C=CC(Cl)=NC2=N1 C73013 [1,0,0,0,0,0|1,0,2]=4 24 B13R2.155 OC1=CC=C2N=CC(Cl)=CC2=C1 80398 [1,0,0,0,0,0|2,0,1]=4 25 B13R2.369 BrC1=CC2=CC=CC=C2N=C1I F30333 [1,0,0,0,0,0|2,0,1]=4 26 B13R2.369 CC1=CC2=C(C=CC=C2)NC1=O 58045 [1,0,0,0,0,0|1,0,0]=2 27 B13R2.369 CC1=CC2=CC=CC=C2N=C1Br 94406 [1,0,0,0,0,0|2,0,1]=4 28 B13R2.369 C[C@@H]1SC2=C(C=CC=C2)NC1=O 77381 [1,0,0,0,0,0|2,0,1]=4 29 B13R2.369 ClC1=CC2=CC=CC=C2N=C1Br D84301 [1,0,0,0,0,0|2,0,1]=4 30 B13R2.369 ClC1=CC2=CC=CC=C2N=C1Cl 26652 [1,0,0,0,0,0|2,0,1]=4 31 B13R2.369 NC1=NC2=C(C=CC=C2)NC1=O 38523 [1,0,0,0,0,0|2,0,0]=3 32 B13R2.369 N[C@H]1CC2=C(C=CC=C2)NC1=O 81089 [1,0,0,0,0,0|1,0,2]=4 33 B13R2.369 OC1=CC2=NC=CC=C2C=C1Br K10294 [1,0,0,0,0,0|3,0,0]=4 34 B13R2.3683 CC1=CC2=CC=C(N)C=C2N=C1 K10051 [1,0,0,0,0,0|2,0,1]=4 35 B13R2.3683 CC1=CC=C2C=C(Br)C=CC2=C1 D78656 [1,0,0,0,0,0|2,1,0]=4 36 B13R2.3683 CC1=CC=C2C=C(Cl)N=CC2=C1 W16225 [1,0,0,0,0,0|3,0,0]=4 37 B13R2.3683 NC1=CC=C2C=C(F)C=CC2=C1 C72558 [1,0,0,0,0,0|2,1,0]=4 38 B13R2.3683 NC1=CC=C2C=C(O)C=CC2=C1 AT25693 [1,0,0,0,0,0|2,0,0]=3 39 B13R2.3683 OC1=CC=C2C=C(I)C=CC2=N1 F18811 [1,0,0,0,0,0|2,1,0]=4 40 B13R2.3683 OC1=CN=C2C=C(Cl)C=CC2=C1 33310 [1,0,0,0,0,0|0,0,1]=2 41 B15R2.1754 COC1=CC2=C(C=C(Br)C=C2)NC1=O 87957 [0,1,0,0,0,0|0,1,0]=2 42 B15R2.1754 O=CC1=CC2=C(C=C(F)C=C2)NC1=O AT24322 [0,1,0,0,0,0|0,1,1]=3 43 B15R2.1754 O=CC1=CC2=C(C=C(O)C=C2)OC1=O D73339 [0,1,0,0,0,0|2,0,1]=4 44 B15R2.1824 O=CC1=CC2=CC(Cl)=CC=C2N=C1Cl 54762 [0,1,0,0,0,0|3,0,0]=4 45 B15R2.13981 CC1=C(O)C=C2C=CC(F)=C(F)C2=N1 95152 [0,1,0,0,0,0|1,1,1]=4 46 B15R2.21336 COC1=CC2=C(C=C1)C=C(C)C(=O)N2 92259 [0,1,0,0,0,0|2,0,0]=3 47 B13R1.133 O=C(O)C(=O)CC1=CC=C(Cl)C=C1 57696 [0,0,1,0,0,0|1,0,2]=4 48 B13R1.148 O=C(O)C(=O)CC1=CC=CC(Cl)=C1 C91153 [0,0,1,0,0,0|2,0,0]=3 49 B13R1.148 O=C(O)C(=O)CC1=CC=CC(F)=C1 C91152 [0,0,1,0,0,0|2,1,0]=4 50 B13R1.2872 C=CC(=O)NC1=C(F)C=CC(Br)=C1 N11740 [0,0,1,0,0,0|2,1,0]=4 51 B13R2.3028 CN1C(I)=CC2=C1C=C(Cl)C=C2 F18347 [0,0,0,0,1,0|3,0,0]=4 52 B13R2.5190 N[C@@H]1C(=O)NC2=C1C=CC(Cl)=C2 AT11006 [0,0,0,0,1,0|1,0,1]=3 53 B13R2.5190 O=C1NC2=C(C=CC(Cl)=N2)C1=O C92860 [0,0,0,0,1,0|1,0,1]=3 54 B12R1.21 CC1=CC=C(\C=C\C(N)=O)C=C1 H11524 [1,0,1,0,0,0|1,0,0]=3 55 B12R1.43 C[C@H](O)C(=O)NC1=CC=CC=C1 F15116 [1,0,1,0,0,0|0,0,2]=4 56 B12R1.50 C=CC(=O)NC1=CC=CC(Cl)=C1 N11715 [1,0,1,0,0,0|0,0,0]=2 57 B12R1.371 C=CC(=O)NC1=C(Cl)C=CC=C1 N11716 [1,0,1,0,0,0|2,0,0]=4 58 B12R2.24 O=C1C=CC2=C(C=CC=N2)N1 97799 [2,0,0,0,0,0|1,0,0]=3 59 B12R2.24 O=C1C=NC2=C(C=CC=N2)N1 F14289 [2,0,0,0,0,0|2,0,0]=4 60 B12R2.24 O=C1N=CC2=C(C=CC=C2)N1 F15801 [2,0,0,0,0,0|1,0,0]=3 61 B12R2.24 O=C1N=CC2=C(N=CC=C2)N1 90179 [2,0,0,0,0,0|2,0,0]=4 62 B12R2.24 O=C1NC2=C(C=CC=C2)CO1 AC3815 [2,0,0,0,0,0|1,0,1]=4 63 B14R2.134 CC1=CC=C2C=CC(C=O)=CC2=C1 AT10297 [1,1,0,0,0,0|2,0,0]=4 64 B14R2.134 CC1=CC=C2C=CC(C=O)=NC2=C1 AT13137 [1,1,0,0,0,0|1,0,1]=4 65 B14R2.134 COC1=CC2=C(C=C1)C=NC(=O)N2 F15809 [1,1,0,0,0,0|2,0,0]=4 66 B14R2.134 COC1=CC2=C(C=CC(=O)N2)C=C1 F53567 [1,1,0,0,0,0|1,0,0]=3 67 B14R2.134 COC1=CC2=C(C=CC(=O)N2)N=C1 91723 [1,1,0,0,0,0|2,0,0]=4 68 B14R2.134 ClC1=CC=C2C=CC(CBr)=NC2=C1 F17064 [1,1,0,0,0,0|1,0,1]=4 69 B14R2.134 O=CC1=CC=C2C=CC(Br)=CC2=N1 AT13142 [1,1,0,0,0,0|0,1,1]=4 70 B14R2.4513 CC1=C(F)C=CC2=C1NC(=O)C=C2 AT15321 [1,1,0,0,0,0|0,1,0]=3 71 B14R2.4513 CC1=C(F)C=CC2=C1NC(=O)C=N2 C92918 [1,1,0,0,0,0|1,1,0]=4 72 B14R2.4513 CN1C(=O)C=CC2=C1C=C(F)C=C2 P15189 [1,1,0,0,0,0|0,1,0]=3 73 B14R2.4513 CN1C(=O)C=CC2=CC=C(N)N=C21 AC6225 [1,1,0,0,0,0|2,0,0]=4 74 B14R2.29365 CC1=CC(O)=CC2=C1C=CC(=O)O2 T72881 [1,1,0,0,0,0|2,0,0]=4 75 B14R2.29365 CC1=CC2=C(C=C1)C(=O)NC(=O)N2 F14751 [1,1,0,0,0,0|2,0,0]=4 76 B14R2.29365 CC1=CC=C2C(Cl)=CC(Cl)=CC2=N1 D80143 [1,1,0,0,0,0|1,0,1]=4 77 B14R2.29365 O=C1C=C(Cl)C2=C(C=C(Cl)C=C2)O1 AC1874 [1,1,0,0,0,0|1,0,0]=3 78 B14R2.29365 O=C1C=C(Cl)C2=C(C=C(O)C=C2)O1 AC1933 [1,1,0,0,0,0|2,0,0]=4 79 B14R2.29365 O=C1C=C(O)C2=C(C=C(Cl)C=C2)O1 AC4988 [1,1,0,0,0,0|1,0,0]=3 80 B14R2.29365 O=C1COC2=C(Cl)C=C(Cl)C=C2N1 AC7049 [1,1,0,0,0,0|1,0,1]=4 81 B14R2.29365 O=C1NC(=O)C2=C(C=C(Cl)C=C2)O1 W17112 [1,1,0,0,0,0|2,0,0]=4 82 B14R2.29365 O=C1NC2=C(C=CC(O)=C2)C(=O)O1 69869 [1,1,0,0,0,0|2,0,0]=4 83 B14R2.1128 CC1=CC2=CC=CC=C2N=C1C=O 71782 [1,1,0,0,0,0|1,0,1]=4 84 B14R2.1128 COC1=CC2=CC=CC=C2N=C1Br 83952 [1,1,0,0,0,0|1,0,1]=4 85 B14R2.1128 N#CC1=CC2=C(C=CC=C2)NC1=O AT16002 [1,1,0,0,0,0|1,0,0]=3 86 B14R2.1128 NC1=CC2=CC=CC=C2C=C1C=O F15847 [1,1,0,0,0,0|2,0,0]=4 87 B14R2.1128 NCC1=CC2=CC=CC=C2C=C1O 32437 [1,1,0,0,0,0|2,0,0]=4 88 B14R2.1128 O=CC1=CC2=C(C=CC=C2)NC1=O 71230 [1,1,0,0,0,0|0,0,1]=3 89 B14R2.1128 O=CC1=NC2=CC=CC=C2C=C1Br AT13206 [1,1,0,0,0,0|1,0,1]=4 90 B14R2.8188 CC1=CC2=C(C=CC=C2)N(C)C1=O 58047 [1,1,0,0,0,0|1,0,0]=3 91 B14R2.8188 CN1C(=O)C(Br)=CC2=C1C=CC=C2 D77883 [1,1,0,0,0,0|1,0,0]=3 92 B14R2.28472 CC1=C(O)C=C2C=CC=C(F)C2=N1 95153 [1,1,0,0,0,0|1,0,1]=4 93 B14R2.28472 NC1=NC2=C(C=CC=C2O)NC1=O F14454 [1,1,0,0,0,0|2,0,0]=4 94 B14R2.28472 O=C1NC2=C(Br)C=CC=C2C=C1O 87959 [1,1,0,0,0,0|0,0,0]=2 95 B14R2.2332 COC1=CC2=CC=C(C)C=C2C=C1 N14597 [1,1,0,0,0,0|2,0,0]=4 96 B14R2.2332 COC1=CC=C2C=C(Cl)C=NC2=C1 K10008 [1,1,0,0,0,0|2,0,0]=4 97 B14R2.2332 N#CC1=CN=C2C=C(Cl)C=CC2=C1 F13946 [1,1,0,0,0,0|1,0,1]=4 98 B14R2.2332 OCC1=CC=C2C=C(O)C=CC2=C1 C15542 [1,1,0,0,0,0|2,0,0]=4 99 B14R2.2332 OCC1=CN=C2C=C(Br)C=CC2=C1 K10050 [1,1,0,0,0,0|0,1,1]=4 100 B14R2.8235 OC1=CC=C2C=C(Br)C=C(F)C2=C1 76349 [1,1,0,0,0,0|1,1,0]=4 101 B14R2.29369 ClC1=CC=C2C(=C1)N=CC(I)=C2Cl AT11279 [1,1,0,0,0,0|1,0,1]=4 102 B14R2.29369 O=C1C(Br)=NNC2=C1C=CC(Cl)=C2 AT18195 [1,1,0,0,0,0|2,0,0]=4 103 B14R2.29369 OC1=C(Br)C=NC2=CC(Cl)=CC=C21 AT11280 [1,1,0,0,0,0|1,0,1]=4 104 B14R2.29369 OC1=C(Cl)C=NC2=CC(Cl)=CC=C21 AT11276 [1,1,0,0,0,0|1,0,1]=4 105 B14R2.29369 OC1=C(I)C=NC2=CC(Cl)=CC=C21 AT11278 [1,1,0,0,0,0|1,0,1]=4 106 B14R2.4506 O=C1NC2=C(C1=O)C(Br)=C(Cl)C=C2 D76131 [0,1,0,0,1,0|1,0,1]=4 107 B14R2.9184 O=C1NC2=C(Cl)C=C(Cl)C=C2C1=O 60164 [0,1,0,0,1,0|1,0,1]=4 108 B14R2.1095 O=CC1=C(Cl)C2=C(C=C(Cl)C=C2)C1 AC8521 [0,1,0,0,1,0|2,0,0]=4 109 B14R2.8737 CC1=C(Br)C=CC2=C1NC(=O)C2=O AC8864 [0,1,0,0,1,0|0,1,1]=4 110 B14R2.8737 CC1=C(F)C=CC2=C1NC(=O)C2=O AT19799 [0,1,0,0,1,0|0,1,1]=4 111 B14R2.8737 O=C1NC2=C(C=CC(Br)=C2Cl)C1=O 96225 [0,1,0,0,1,0|0,1,1]=4 112 B14R2.8737 O=C1NC2=C(C=CC(F)=C2F)C1=O 95150 [0,1,0,0,1,0|0,1,1]=4 113 B16R2.8632 N#CC1=C(O)C2=C(C=C(Br)C=C2)NC1=O C92303 [0,2,0,0,0,0|1,1,0]=4 114 B16R2.8632 N#CC1=C(O)C2=C(C=C(Cl)C=C2)NC1=O C92301 [0,2,0,0,0,0|1,0,0]=3 115 B16R2.8632 N#CC1=C(O)C2=C(C=C(F)C=C2)NC1=O C91222 [0,2,0,0,0,0|1,1,0]=4 116 B16R2.23520 O=C(O)C1=CC2=C(C=C(Br)C=C2)OC1=O 90290 [0,2,0,0,0,0|1,1,0]=4 117 B16R2.23520 O=C(O)C1=CC2=C(C=C(F)C=C2)OC1=O 90288 [0,2,0,0,0,0|1,1,0]=4 118 B14R2.4529 CC(=O)C1=CC2=C(C=C(O)C=C2)O1 D73259 [0,0,1,1,0,0|2,0,0]=4 119 B14R2.4529 CC1=CC2=C(C=C1)C=C(C(=O)O)O2 AC6258 [0,0,1,1,0,0|2,0,0]=4 120 B14R2.8620 O=C1NC2=C(F)C=CC(Cl)=C2C1=O AC7446 [0,0,1,1,0,0|1,0,1]=4 121 B12R1.354 O=C(CO)C1=C(Cl)C=CC(Cl)=C1 AC6588 [0,0,1,0,1,0|1,0,1]=4 122 B12R2.132 O=C1C=CC2=C1C=C(Br)C=C2 D78663 [1,0,0,0,1,0|0,1,0]=3 123 B12R2.132 O=C1COC2=C1C=C(Cl)C=C2 52578 [1,0,0,0,1,0|1,0,1]=4 124 B12R2.606 CC1=CC2=C(C=C1)SC(=O)N2 O11473 [1,0,0,0,1,0|2,0,0]=4 125 B12R2.606 ClC1=CC2=C(C=C1)C=C(Cl)N2 F52575 [1,0,0,0,1,0|1,0,0]=3 126 B12R2.606 NC1=NC2=C(C=C(Cl)C=C2)N1 W14684 [1,0,0,0,1,0|2,0,0]=4 127 B12R2.606 O=C1NC2=C(C=CC(F)=C2)S1 C14119 [1,0,0,0,1,0|1,1,0]=4 128 B12R2.606 O=C1NC2=CC(Cl)=CN=C2O1 AC3978 [1,0,0,0,1,0|2,0,0]=4 129 B12R2.18 O=C1NC2=C(C=CN=C2)C1=O W17877 [1,0,0,0,1,0|1,0,1]=4 130 B12R2.18 O=C1NC2=C(C=NC=C2)C1=O C15054 [1,0,0,0,1,0|1,0,1]=4 131 B12R2.18 O=C1OC2=C(C=CC=C2)C1=O AC2209 [1,0,0,0,1,0|1,0,1]=4 132 B12R2.612 ClC1=CNC2=C1C=CC(Br)=C2 W17736 [1,0,0,0,1,0|1,1,0]=4 133 B12R2.612 ClC1=CNC2=C1C=CC(Cl)=N2 91251 [1,0,0,0,1,0|2,0,0]=4 134 B12R2.612 OC1=NNC2=C1C=CC(Cl)=C2 S10302 [1,0,0,0,1,0|1,0,0]=3 135 B12R2.612 OC1=NSC2=C1C=CC(Cl)=C2 F51296 [1,0,0,0,1,0|2,0,0]=4 136 B14R1.5956 O=C(O)C(=O)\C=C\C1=CC=CC(Cl)=C1 D77604 [0,0,1,0,0,1|2,0,0]=4