0 B14R2.8239 CC1=CC2=CC(=CC=C2N=C1Cl)F BBO000132 [0,0,0,0,0,0|4,0,0]=4 1 B14R2.8239 CC1=CC2=CC(=CC=C2N=C1N)F BBO000065 [0,0,0,0,0,0|4,0,0]=4 2 B14R2.8239 CC1=CC2=CC=C(C=C2N=C1Cl)Br BBO000563 [0,0,0,0,0,0|2,1,1]=4 3 B14R2.8239 CC1=CC2=CC=C(C=C2N=C1Cl)F BBO000137 [0,0,0,0,0,0|2,0,1]=3 4 B14R2.8239 CC1=CC2=CC=C(C=C2N=C1N)F BBO000546 [0,0,0,0,0,0|2,0,1]=3 5 B14R2.8239 CC1=CC=C2C=C(C(=NC2=C1)Cl)C BBO000108 [0,0,0,0,0,0|3,0,1]=4 6 B14R2.8239 CC1=CC=C2NC(=O)C(=O)NC2=C1 CDS019918 [0,0,0,0,0,0|2,0,1]=3 7 B14R2.8239 CC1OC2=C(C=C(C=C2)N)NC1=O JRD0674 [0,0,0,0,0,0|3,0,1]=4 8 B14R2.8239 CC1OC2=CC=C(C=C2NC1=O)Br JRD0725 [0,0,0,0,0,0|2,1,1]=4 9 B14R2.8239 CC1OC2=CC=C(C=C2NC1=O)Cl OTV000335 [0,0,0,0,0,0|2,1,1]=4 10 B14R2.8239 CC1OC2=CC=C(C=C2NC1=O)F JRD0727 [0,0,0,0,0,0|2,0,1]=3 11 B14R2.8239 CC1OC2=CC=C(C=C2NC1=O)N OTV000478 [0,0,0,0,0,0|3,0,1]=4 12 B14R2.8239 CC1SC2=CC=C(C=C2NC1=O)Br VBP00194 [0,0,0,0,0,0|2,1,1]=4 13 B14R2.8239 FC1=CC=C2N=C(C(=NC2=C1)Cl)Cl T100242 [0,0,0,0,0,0|3,0,1]=4 14 B14R2.8239 O=C1NC2=C(C=C(C=C2)Cl)NC1=O PH003527 [0,0,0,0,0,0|1,1,1]=3 15 B13R2.155 CC1=NC2=CC(=CC=C2C=C1)Br BBO000574 [1,0,0,0,0,0|1,1,1]=4 16 B13R2.155 ClC1=NC2=CC(=CC=C2C=C1)Br BBO000071 [1,0,0,0,0,0|1,1,1]=4 17 B13R2.155 NC1=CC=C2C=CC(=O)OC2=C1 CDS022443 [1,0,0,0,0,0|2,0,0]=3 18 B13R2.155 NC1=CC=C2CCC(=O)NC2=C1 CDS006614 [1,0,0,0,0,0|1,0,2]=4 19 B13R2.155 O=C1C=CC2=C(O1)N=C(C=C2)O PH009034 [1,0,0,0,0,0|3,0,0]=4 20 B13R2.155 O=C1COC2=CC=C(C=C2N1)O OTV000751 [1,0,0,0,0,0|2,0,1]=4 21 B13R2.155 O=C1CSC2=CC=C(C=C2N1)Br VBP00121 [1,0,0,0,0,0|1,1,1]=4 22 B13R2.155 OC1=NC2=NC(=CC=C2C=C1)F ADE000840 [1,0,0,0,0,0|1,0,2]=4 23 B13R2.369 CC1=C(C=C2C=CC=CC2=C1)C S295175 [1,0,0,0,0,0|3,0,0]=4 24 B13R2.369 CC1=CC2=C(C=CC=C2)OC1=O PH003698 [1,0,0,0,0,0|2,0,0]=3 25 B13R2.369 CC1CC2=CC=CC=C2NC1=O PH002978 [1,0,0,0,0,0|1,0,2]=4 26 B13R2.369 CC1NC2=C(C=CC=C2)NC1=O R227021 [1,0,0,0,0,0|2,0,1]=4 27 B13R2.369 CC1OC2=C(C=CC=C2)NC1=O JRD0784 [1,0,0,0,0,0|2,0,1]=4 28 B13R2.369 CC1SC2=CC=CC=C2NC1=O JRD0961 [1,0,0,0,0,0|2,0,1]=4 29 B13R2.369 N=C1NC2=CC=CC=C2OC1=O T319554 [1,0,0,0,0,0|2,0,1]=4 30 B13R2.369 O=C1OC2=C(C=CC=C2)N=C1Cl PH009408 [1,0,0,0,0,0|3,0,0]=4 31 B13R2.369 O=C1SC2=C(C=CC=C2)C=C1Cl S849499 [1,0,0,0,0,0|2,0,0]=3 32 B13R2.369 S=C1NC2=C(C=CC=C2)NC1=S PH008919 [1,0,0,0,0,0|1,2,0]=4 33 B13R2.3683 CC1=CC2=C(C=C1)C=C(C=C2)F PH010449 [1,0,0,0,0,0|2,0,0]=3 34 B13R2.3683 CC1=CC2=C(C=C1)NC(=CO2)O PH001606 [1,0,0,0,0,0|3,0,0]=4 35 B13R2.3683 CC1=CC=C2C=C(C=CC2=C1)I PH005825 [1,0,0,0,0,0|2,1,0]=4 36 B13R2.3683 CC1=CC=C2C=C(C=NC2=C1)N BBO000645 [1,0,0,0,0,0|2,0,1]=4 37 B13R2.3683 ClC1=CC=C2C=C(C=CC2=C1)Cl R415464 [1,0,0,0,0,0|2,1,0]=4 38 B13R2.3683 NC1=CC2=CC=C(C=C2C=C1)O PH007390 [1,0,0,0,0,0|2,0,0]=3 39 B13R2.3683 NC1=CN=C2C=C(C=CC2=C1)Br CDS024307 [1,0,0,0,0,0|1,1,1]=4 40 B13R2.3683 NC1=CN=C2C=C(C=CC2=C1)F CDS024308 [1,0,0,0,0,0|1,0,1]=3 41 B13R2.3683 O=C1C=CC2=CC(=CC=C2N1)O CDS004847 [1,0,0,0,0,0|3,0,0]=4 42 B13R2.3683 OC1=NC2=CC=C(C=C2C=C1)Br BBO000085 [1,0,0,0,0,0|2,1,0]=4 43 B15R2.1754 CC1=CC=C2C=C(C(=NC2=C1)Cl)CO BBO000263 [0,1,0,0,0,0|2,0,1]=4 44 B15R2.1754 FC1=CC=C2C=C(C(=NC2=C1)Cl)CCl BBO000116 [0,1,0,0,0,0|2,0,1]=4 45 B15R2.1754 O=CC1=CC2=CC=C(C=C2N=C1Cl)F BBO000138 [0,1,0,0,0,0|1,0,2]=4 46 B15R2.1754 OCC1=CC2=CC=C(C=C2N=C1Cl)Br BBO000271 [0,1,0,0,0,0|1,1,1]=4 47 B15R2.1824 O=CC1=CC2=CC(=CC=C2N=C1Cl)F BBO000134 [0,1,0,0,0,0|3,0,0]=4 48 B15R2.1824 O=CC1=CC2=CC(=CC=C2N=C1O)Cl BBO000252 [0,1,0,0,0,0|2,1,0]=4 49 B15R2.63893 CC1=C(C2=C(C=C(C=C2)O)OC1=O)C R104418 [0,1,0,0,0,0|3,0,0]=4 50 B13R1.133 C/C(=C\C1=CC=C(C=C1)Cl)/C(=O)O S808687 [0,0,1,0,0,0|2,1,0]=4 51 B13R1.133 C/C(=C\C1=CC=C(C=C1)F)/[N+](=O)[O-] S447099 [0,0,1,0,0,0|3,0,0]=4 52 B13R1.133 CC1=CC=C(C=C1)/C=C(/C)\C(=O)O S280100 [0,0,1,0,0,0|3,0,0]=4 53 B13R1.2872 CCC(=O)NC1=C(C=CC(=C1)F)F S694797 [0,0,1,0,0,0|2,0,1]=4 54 B13R1.2872 N#CC(=O)NC1=C(C=CC(=C1)F)F S744298 [0,0,1,0,0,0|2,0,1]=4 55 B13R1.2872 O=C(CCl)NC1=C(C=CC(=C1)F)F S916595 [0,0,1,0,0,0|2,0,1]=4 56 B13R2.5190 CC1=CC=C2C(=O)C(=O)NC2=C1 CDS020596 [0,0,0,0,1,0|1,0,1]=3 57 B13R2.5190 O=C1NC2=C(C1=O)C=CC(=C2)Br CDS000133 [0,0,0,0,1,0|0,1,1]=3 58 B13R2.5190 O=C1NC2=C(C1=O)C=CC(=C2)I T281182 [0,0,0,0,1,0|0,1,1]=3 59 B13R2.5190 O=C1NC2=CC(=CC=C2C1=O)Cl CDS000344 [0,0,0,0,1,0|0,1,1]=3 60 B13R2.5190 O=C1NC2=CC(=CC=C2C1=O)F PH010436 [0,0,0,0,1,0|0,0,1]=2 61 B12R1.21 CC(=O)/C=C/C1=CC=C(C=C1)Br TMT00515 [1,0,1,0,0,0|1,1,0]=4 62 B12R1.21 CC(=O)/C=C/C1=CC=C(C=C1)F CDS016057 [1,0,1,0,0,0|1,0,0]=3 63 B12R1.21 CC(=O)C=CC1=CC=C(C=C1)O S350656 [1,0,1,0,0,0|2,0,0]=4 64 B12R1.21 CC1=CC=C(C=C1)/C=C/C(=O)N R640662 [1,0,1,0,0,0|1,0,0]=3 65 B12R1.21 NC(=O)/C=C/C1=CC=C(C=C1)Cl PH010888 [1,0,1,0,0,0|0,1,0]=3 66 B12R1.21 NC1=CC=C(C=C1)/C=C/C(=O)O CDS000175 [1,0,1,0,0,0|2,0,0]=4 67 B12R1.43 O=C(O)/C(=C/C1=CC=CC=C1)/Br S808768 [1,0,1,0,0,0|2,0,0]=4 68 B12R1.43 O=C(O)/C(=C/C1=CC=CC=C1)/Cl PH009328 [1,0,1,0,0,0|2,0,0]=4 69 B12R1.43 O=C(O)/C(=C\C1=CC=CC=C1)/Cl PH004529 [1,0,1,0,0,0|2,0,0]=4 70 B12R1.50 CC1=CC=CC(=C1)NC(=O)CO OTV000598 [1,0,1,0,0,0|1,0,1]=4 71 B12R1.50 O=C(CCl)NC1=CC(=CC=C1)F R822876 [1,0,1,0,0,0|1,0,1]=4 72 B12R1.50 O=C(NO)NC1=CC(=CC=C1)Cl R631787 [1,0,1,0,0,0|1,1,0]=4 73 B12R1.50 O=C(NO)NC1=CC(=CC=C1)Cl S652261 [1,0,1,0,0,0|1,1,0]=4 74 B12R1.127 CC(=O)NC1=C(C=CC(=C1)F)C PH011772 [1,0,1,0,0,0|0,0,2]=4 75 B12R1.371 O=C(NO)NC1=CC=CC=C1Cl S647209 [1,0,1,0,0,0|2,0,0]=4 76 B12R2.24 ClC1=CC=C2C=CC=NC2=C1 CDS014905 [2,0,0,0,0,0|0,1,1]=4 77 B12R2.24 NC1=CC2=C(C=CC=C2)C=C1 S810606 [2,0,0,0,0,0|2,0,0]=4 78 B12R2.24 NC1=CC=C2C=CC=NC2=C1 CDS019693 [2,0,0,0,0,0|1,0,1]=4 79 B12R2.24 O=C1CNC2=CC=CC=C2N1 T324280 [2,0,0,0,0,0|1,0,1]=4 80 B12R2.24 OC1=CC2=CC=CC=C2N=C1 CDS009409 [2,0,0,0,0,0|0,0,1]=3 81 B12R2.24 OC1=CC=C2C=CC=NC2=C1 CDS008204 [2,0,0,0,0,0|1,0,1]=4 82 B12R2.24 OC1=CN=C2C=CC=NC2=C1 ADE000860 [2,0,0,0,0,0|1,0,1]=4 83 B14R1.536 CC/C(=C\C1=CC=C(C=C1)F)/C(=O)O R948772 [0,1,1,0,0,0|2,0,0]=4 84 B14R1.536 CC1=CC=C(C=C1)/C=C(/C#N)\C(=O)N S878510 [0,1,1,0,0,0|2,0,0]=4 85 B14R1.536 N#C/C(=C\C1=CC=C(C=C1)Cl)/C(=O)N S104736 [0,1,1,0,0,0|1,1,0]=4 86 B14R1.536 N#C/C(=C\C1=CC=C(C=C1)Cl)/C(=O)N S878464 [0,1,1,0,0,0|1,1,0]=4 87 B14R1.536 N#C/C(=C\C1=CC=C(C=C1)F)/C(=O)N S103683 [0,1,1,0,0,0|1,0,0]=3 88 B14R1.950 CC1=CC=C(C(=C1)NC(=O)/C=N/O)C S676454 [0,1,1,0,0,0|1,0,1]=4 89 B14R1.950 O=C(/C=N/O)NC1=CC(=CC=C1Cl)Cl S545244 [0,1,1,0,0,0|1,1,0]=4 90 B14R2.134 C(=O)C1=CC2=C(C=CC(=C2)C)C=C1 S943770 [1,1,0,0,0,0|2,0,0]=4 91 B14R2.29365 CC1=CC(=O)C2=C(N1)C=C(C=C2)Br R261793 [1,1,0,0,0,0|1,1,0]=4 92 B14R2.29365 CC1=CC(=O)NC2=CC(=CC=C12)Br OTV000861 [1,1,0,0,0,0|0,1,0]=3 93 B14R2.29365 CC1=CC2=C(C=C1)C(=CC(=O)O2)O IDF00004 [1,1,0,0,0,0|2,0,0]=4 94 B14R2.29365 CC1=NC2=CC(=CC=C2C(=C1)Cl)F BBO000171 [1,1,0,0,0,0|1,0,1]=4 95 B14R2.29365 CC1=NC2=CC(=CC=C2C(=C1)O)F BBO000217 [1,1,0,0,0,0|1,0,1]=4 96 B14R2.29365 O=C1C=C(C2=C(O1)C=C(C=C2)Cl)O PH004653 [1,1,0,0,0,0|1,1,0]=4 97 B14R2.29365 O=C1NC(=O)C2=CC=C(C=C2N1)Cl T309141 [1,1,0,0,0,0|1,1,0]=4 98 B14R2.29365 O=C1NC2=CC(=CC=C2C(=O)O1)F CDS019634 [1,1,0,0,0,0|1,0,0]=3 99 B14R2.1128 O=CC1=CC2=CC=CC=C2C=C1O UPL0014 [1,1,0,0,0,0|1,0,0]=3 100 B14R2.1128 OCC1=CC2=CC=CC=C2N=C1Cl BBO000266 [1,1,0,0,0,0|1,0,1]=4 101 B14R2.8188 CC1=NC2=C(C=CC=C2)N(C1=O)C PH009988 [1,1,0,0,0,0|2,0,0]=4 102 B14R2.8188 CN1C(=O)C(=O)NC2=CC=CC=C12 CBR00312 [1,1,0,0,0,0|1,0,1]=4 103 B14R2.8188 CN1C(=O)NC2=CC=CC=C2C1=O TMT00237 [1,1,0,0,0,0|2,0,0]=4 104 B14R2.8188 O=C1OC2=C(C=CC=C2)C(=C1Br)O PH011265 [1,1,0,0,0,0|2,0,0]=4 105 B14R2.2332 O=CC1=CC2=CC=C(C=C2C=C1)O CDS018120 [1,1,0,0,0,0|2,0,0]=4 106 B14R2.29369 FC1=CC=C2C(=C1)N=CC(=C2Br)Cl BBO000624 [1,1,0,0,0,0|1,0,1]=4 107 B14R2.29369 FC1=CC=C2C(=C1)N=CC(=C2Cl)Cl BBO000615 [1,1,0,0,0,0|1,0,1]=4 108 B14R2.645 O=C1NC2=C(C1=O)C=C(C(=C2)Cl)F PH000435 [0,1,0,0,1,0|1,0,1]=4 109 B14R2.1815 COC1=CC2=C(C=C1)C(=O)C(=O)N2 OTV000973 [0,1,0,0,1,0|1,0,1]=4 110 B14R2.27750 O=C1NC2=C(C1=O)C(=CC(=C2)Cl)Cl PH011218 [0,1,0,0,1,0|0,1,1]=4 111 B16R2.23520 CC1=NC2=CC(=CC=C2C=C1C(=O)O)F BBO000576 [0,2,0,0,0,0|1,0,1]=4 112 B16R2.192946 CC1=CC2=C(C=C1C)NC(=O)C(=C2)CO T323454 [0,2,0,0,0,0|1,0,0]=3 113 B14R2.4529 CC1=CC=C2C=C(OC2=C1)C(=O)O T325414 [0,0,1,1,0,0|2,0,0]=4 114 B12R1.1703 C(=O)C(=O)C1=C(C=C(C=C1)F)F CDS022056 [0,0,1,0,1,0|1,0,1]=4 115 B12R2.606 CC1=CC2=CC=C(C=C2N1)Cl CDS022887 [1,0,0,0,1,0|1,1,0]=4 116 B12R2.606 FC1=CC2=C(C=C1)NC(=S)N2 L202959 [1,0,0,0,1,0|1,1,0]=4 117 B12R2.606 NC1=CC2=C(C=C1)NC(=O)N2 CDS003171 [1,0,0,0,1,0|2,0,0]=4 118 B12R2.606 O=C1NC2=CC=C(C=C2N1)Br CDS007377 [1,0,0,0,1,0|1,1,0]=4 119 B12R2.18 CN1C(=O)NC2=CC=CC=C12 PH010060 [1,0,0,0,1,0|2,0,0]=4 120 B12R2.18 NC1C(=O)NC2=CC=CC=C12 CBR00797 [1,0,0,0,1,0|1,0,1]=4 121 B12R2.18 O=C1CC2=C(N1O)C=CC=C2 PH003463 [1,0,0,0,1,0|2,0,0]=4 122 B12R2.18 O=C1NC2=C(C1O)C=CC=C2 PH010628 [1,0,0,0,1,0|0,0,1]=3 123 B12R2.612 OC1=NNC2=C1C=CC(=C2)Br CDS022567 [1,0,0,0,1,0|1,1,0]=4 124 B14R1.679 O=C(O)C(=O)/C=C/C1=CC=C(C=C1)F PH008186 [0,0,1,0,0,1|1,0,1]=4 125 B14R2.741 O=C1C=CC2=CC=CC=C2C=C1O T276758 [1,0,0,0,0,1|1,0,0]=3