0 B14R2.781 C=C(C)C1=CC2=CC=CC=C2C=C1 D91144 [0,0,0,0,0,0|1,0,0]=1 1 B14R2.781 CC(=O)C1=CC2=C(C=C1)CCCC2 N11933 [0,0,0,0,0,0|0,0,4]=4 2 B14R2.781 CC(=O)C1=CC2=C(C=C1)OCCO2 24665 [0,0,0,0,0,0|2,0,2]=4 3 B14R2.781 CC(=O)C1=CC2=CC=CC=C2C=C1 S12359 [0,0,0,0,0,0|0,0,0]=0 4 B14R2.781 CC(=O)C1=CC2=CC=CC=C2N=C1 80290 [0,0,0,0,0,0|1,0,0]=1 5 B14R2.781 CC(=O)C1=CC2=CC=CN=C2C=C1 86453 [0,0,0,0,0,0|1,0,0]=1 6 B14R2.781 CC(=O)C1=NC2=CC=CC=C2N=C1 29587 [0,0,0,0,0,0|2,0,0]=2 7 B14R2.781 CC(C)C1=CC=C2C=NC=CC2=C1 D75703 [0,0,0,0,0,0|2,0,1]=3 8 B14R2.781 CC(C)C1=CC=C2N=CC=CC2=C1 D91177 [0,0,0,0,0,0|2,0,1]=3 9 B14R2.781 C[C@H](N)C1=CC2=CC=CC=C2C=C1 78625 [0,0,0,0,0,0|1,0,1]=2 10 B14R2.781 C[C@H](N)C1=CC2=CC=CC=C2C=C1 I11133 [0,0,0,0,0,0|1,0,1]=2 11 B14R2.781 C[C@H](N)C1=CC2=CC=CC=C2C=C1 I11134 [0,0,0,0,0,0|1,0,1]=2 12 B14R2.781 C[C@H](N)C1=CC2=CC=CC=C2C=C1 Y10772 [0,0,0,0,0,0|1,0,1]=2 13 B14R2.781 NC(=O)C1=CC2=CC=CC=C2C=C1 S10612 [0,0,0,0,0,0|1,0,0]=1 14 B14R2.781 NC(=O)C1=CC2=CC=CN=C2C=C1 SC5119 [0,0,0,0,0,0|2,0,0]=2 15 B14R2.781 NC(=O)C1=NC2=CC=CC=C2N=C1 74826 [0,0,0,0,0,0|3,0,0]=3 16 B14R2.781 O=C(Cl)C1=CC2=CC=CC=C2C=C1 28635 [0,0,0,0,0,0|1,0,0]=1 17 B14R2.781 O=C(Cl)C1=NC2=CC=CC=C2C=C1 74144 [0,0,0,0,0,0|2,0,0]=2 18 B14R2.781 O=C(O)C1=CC2=C(C=CC=C2)OC1 78553 [0,0,0,0,0,0|2,0,1]=3 19 B14R2.781 O=C(O)C1=CC2=CC=CC=C2C=C1 D77680 [0,0,0,0,0,0|1,0,0]=1 20 B14R2.781 O=C(O)C1=CC2=CC=CC=C2C=N1 34013 [0,0,0,0,0,0|2,0,0]=2 21 B14R2.781 O=C(O)C1=CC2=CC=CC=C2C=N1 82884 [0,0,0,0,0,0|2,0,0]=2 22 B14R2.781 O=C(O)C1=CC2=CC=CC=C2C=N1 AC7621 [0,0,0,0,0,0|2,0,0]=2 23 B14R2.781 O=C(O)C1=CC2=CC=CC=C2N=C1 65580 [0,0,0,0,0,0|2,0,0]=2 24 B14R2.781 O=C(O)C1=CC2=CC=CN=C2C=C1 82707 [0,0,0,0,0,0|2,0,0]=2 25 B14R2.781 O=C(O)C1=CC2=NC=CC=C2C=C1 25344 [0,0,0,0,0,0|2,0,0]=2 26 B14R2.781 O=C(O)C1=CC2=NC=CN=C2C=C1 67526 [0,0,0,0,0,0|3,0,0]=3 27 B14R2.781 O=C(O)C1=NC2=CC=CC=C2C=C1 23039 [0,0,0,0,0,0|2,0,0]=2 28 B14R2.781 O=C(O)C1=NC2=CC=CC=C2N=C1 CL1016 [0,0,0,0,0,0|3,0,0]=3 29 B14R2.781 O=C(O)C1=NC2=CC=NC=C2C=C1 64544 [0,0,0,0,0,0|3,0,0]=3 30 B14R2.781 O=[N+]([O-])C1=CC2=CC=CN=C2C=C1 73718 [0,0,0,0,0,0|3,0,0]=3 31 B14R2.781 O=[N+]([O-])C1=CC2=NC=CC=C2C=C1 25343 [0,0,0,0,0,0|3,0,0]=3 32 B14R2.781 O=[N+]([O-])C1=CC2=NC=CN=C2C=C1 81088 [0,0,0,0,0,0|4,0,0]=4 33 B14R2.781 OB(O)C1=CC2=CC=CC=C2C=C1 64508 [0,0,0,0,0,0|2,0,1]=3 34 B14R2.781 OB(O)C1=CC2=CC=CC=C2N=C1 33539 [0,0,0,0,0,0|3,0,1]=4 35 B14R2.781 OB(O)C1=CC2=CC=CN=C2C=C1 83440 [0,0,0,0,0,0|3,0,1]=4 36 B14R2.781 OB(O)C1=CC2=NC=CC=C2C=C1 RB2104 [0,0,0,0,0,0|3,0,1]=4 37 B13R2.57 BrCC1=CC2=CC=CC=C2C=C1 73681 [1,0,0,0,0,0|1,0,1]=3 38 B13R2.57 BrCC1=NC2=CC=CC=C2C=C1 67273 [1,0,0,0,0,0|2,0,1]=4 39 B13R2.57 C#CC1=CC2=CC=CC=C2C=C1 99431 [1,0,0,0,0,0|0,0,2]=3 40 B13R2.57 C#CC1=CC=C2C=NC=CC2=C1 D82544 [1,0,0,0,0,0|1,0,2]=4 41 B13R2.57 C#CC1=NC2=CC=CC=C2C=C1 D95797 [1,0,0,0,0,0|1,0,2]=4 42 B13R2.57 C=CC1=CC2=CC=CC=C2C=C1 F10485 [1,0,0,0,0,0|0,0,1]=2 43 B13R2.57 CCC1=CC2=CC=CC=C2C=C1 D83899 [1,0,0,0,0,0|0,0,1]=2 44 B13R2.57 CNC1=CC2=CC=CC=C2C=C1 D82022 [1,0,0,0,0,0|1,0,0]=2 45 B13R2.57 CNC1=NC2=CC=CC=C2C=C1 72050 [1,0,0,0,0,0|2,0,0]=3 46 B13R2.57 COC1=CC2=CC=CC=C2C=C1 D71164 [1,0,0,0,0,0|1,0,0]=2 47 B13R2.57 COC1=CC2=CC=CC=C2N=C1 25360 [1,0,0,0,0,0|2,0,0]=3 48 B13R2.57 COC1=CC2=CC=CN=C2C=C1 H10211 [1,0,0,0,0,0|2,0,0]=3 49 B13R2.57 COC1=CC2=CC=NC=C2C=C1 64318 [1,0,0,0,0,0|2,0,0]=3 50 B13R2.57 COC1=CC2=CN=CC=C2C=C1 BL003853 [1,0,0,0,0,0|2,0,0]=3 51 B13R2.57 COC1=CC2=NC=CC=C2C=C1 35998 [1,0,0,0,0,0|2,0,0]=3 52 B13R2.57 COC1=CC2=NC=CN=C2C=C1 81080 [1,0,0,0,0,0|3,0,0]=4 53 B13R2.57 ClCC1=CC2=CC=CC=C2C=C1 59497 [1,0,0,0,0,0|1,0,1]=3 54 B13R2.57 ClCC1=NC2=CC=CC=C2C=C1 O10516 [1,0,0,0,0,0|2,0,1]=4 55 B13R2.57 N#CC1=CC2=CC=CC=C2C=C1 F20406 [1,0,0,0,0,0|1,0,1]=3 56 B13R2.57 N#CC1=CC2=CC=CC=C2C=N1 29672 [1,0,0,0,0,0|2,0,1]=4 57 B13R2.57 N#CC1=CC2=CC=CC=C2N=C1 78756 [1,0,0,0,0,0|2,0,1]=4 58 B13R2.57 N#CC1=CC2=CC=CN=C2C=C1 82706 [1,0,0,0,0,0|2,0,1]=4 59 B13R2.57 N#CC1=CC2=CC=NC=C2C=C1 59439 [1,0,0,0,0,0|2,0,1]=4 60 B13R2.57 N#CC1=CC2=CN=CC=C2C=C1 24390 [1,0,0,0,0,0|2,0,1]=4 61 B13R2.57 N#CC1=NC2=CC=CC=C2C=C1 83448 [1,0,0,0,0,0|2,0,1]=4 62 B13R2.57 NCC1=CC2=CC=CC=C2C=C1 23730 [1,0,0,0,0,0|1,0,1]=3 63 B13R2.57 NCC1=CC2=CC=CC=C2C=C1 35112 [1,0,0,0,0,0|1,0,1]=3 64 B13R2.57 NCC1=CC=C2N=CC=CC2=C1 32429 [1,0,0,0,0,0|2,0,1]=4 65 B13R2.57 NCC1=CC=C2N=CC=CC2=C1 82705 [1,0,0,0,0,0|2,0,1]=4 66 B13R2.57 NCC1=NC2=CC=CC=C2C=C1 20216 [1,0,0,0,0,0|2,0,1]=4 67 B13R2.57 NCC1=NC2=CC=CC=C2C=C1 20217 [1,0,0,0,0,0|2,0,1]=4 68 B13R2.57 NNC1=CC2=CC=CC=C2C=C1 O12017 [1,0,0,0,0,0|2,0,0]=3 69 B13R2.57 NNC1=CC=C2C=CC=NC2=C1 D82590 [1,0,0,0,0,0|3,0,0]=4 70 B13R2.57 NNC1=NC2=CC=CC=C2C=C1 O10792 [1,0,0,0,0,0|3,0,0]=4 71 B13R2.57 O=CC1=CC2=C(C=CC=C2)OC1 F10439 [1,0,0,0,0,0|1,0,1]=3 72 B13R2.57 O=CC1=CC2=CC=CC=C2C=C1 F10988 [1,0,0,0,0,0|0,0,0]=1 73 B13R2.57 O=CC1=CC2=CC=CC=C2C=N1 82885 [1,0,0,0,0,0|1,0,0]=2 74 B13R2.57 O=CC1=CC2=CC=CC=C2N=C1 33020 [1,0,0,0,0,0|1,0,0]=2 75 B13R2.57 O=CC1=CC2=CC=CN=C2C=C1 BL003256 [1,0,0,0,0,0|1,0,0]=2 76 B13R2.57 O=CC1=NC2=CC=CC=C2C=C1 77951 [1,0,0,0,0,0|1,0,0]=2 77 B13R2.57 O=CC1=NC2=CC=CC=C2N=C1 24419 [1,0,0,0,0,0|2,0,0]=3 78 B13R2.57 O=CC1=NC2=NC=CC=C2C=C1 D95017 [1,0,0,0,0,0|2,0,0]=3 79 B13R2.57 OCC1=CC2=CC=CC=C2C=C1 62932 [1,0,0,0,0,0|0,0,2]=3 80 B13R2.57 OCC1=CC2=CC=CC=C2C=N1 26152 [1,0,0,0,0,0|1,0,2]=4 81 B13R2.57 OCC1=CC2=CC=CC=C2N=C1 F30201 [1,0,0,0,0,0|1,0,2]=4 82 B13R2.57 OCC1=CC2=CC=CN=C2C=C1 23604 [1,0,0,0,0,0|1,0,2]=4 83 B15R2.627 CC(=O)C1=C(O)C2=CC=CC=C2C=C1 D70322 [0,1,0,0,0,0|0,0,0]=1 84 B15R2.627 CC1=C([N+](=O)[O-])C=NC2=CC=CC=C21 84294 [0,1,0,0,0,0|3,0,0]=4 85 B15R2.627 NC1=C(C(=O)O)C=CC2=CC=CC=C21 27610 [0,1,0,0,0,0|1,0,0]=2 86 B15R2.627 NC1=C([N+](=O)[O-])C=CC2=NC=CC=C21 D94725 [0,1,0,0,0,0|3,0,0]=4 87 B15R2.627 O=C(O)C1=C(Br)C2=CC=CC=C2C=C1 F14955 [0,1,0,0,0,0|1,0,0]=2 88 B15R2.627 O=C(O)C1=C(O)C2=CC=CC=C2C=C1 D70638 [0,1,0,0,0,0|1,0,0]=2 89 B15R2.627 O=C(O)C1=C(O)C2=CC=CC=C2N=C1 W10229 [0,1,0,0,0,0|2,0,0]=3 90 B15R2.627 O=C(O)C1=CN=C2C=CC=CN2C1=O 69805 [0,1,0,0,0,0|3,0,0]=4 91 B15R2.627 O=C(O)C1=CNC2=C(C=CC=C2)C1=O 80964 [0,1,0,0,0,0|2,0,0]=3 92 B15R2.627 O=[N+]([O-])C1=C(Br)C2=CC=CC=C2C=C1 A11729 [0,1,0,0,0,0|2,0,0]=3 93 B15R2.627 O=[N+]([O-])C1=C(Cl)C2=CC=CC=C2N=C1 57289 [0,1,0,0,0,0|3,0,0]=4 94 B15R2.627 O=[N+]([O-])C1=C(O)C2=CC=CC=C2C=C1 S10864 [0,1,0,0,0,0|2,0,0]=3 95 B15R2.627 O=[N+]([O-])C1=C(O)C2=CC=CC=C2N=C1 64559 [0,1,0,0,0,0|3,0,0]=4 96 B15R2.984 CC(=O)C1=CC2=C(C=CC=C2)OC1=O D78193 [0,1,0,0,0,0|1,0,0]=2 97 B15R2.984 CC1=NC2=CC=NC=C2C=C1C(=O)O W12259 [0,1,0,0,0,0|3,0,0]=4 98 B15R2.984 NC1=CC2=CC=CC=C2C=C1C(=O)O F20401 [0,1,0,0,0,0|1,0,0]=2 99 B15R2.984 NC1=NC2=CC=CC=C2N=C1C(=O)O D82125 [0,1,0,0,0,0|3,0,0]=4 100 B15R2.984 O=C(O)C1=CC2=C(C=CC=C2)NC1=O P10186 [0,1,0,0,0,0|2,0,0]=3 101 B15R2.984 O=C(O)C1=CC2=C(C=CC=C2)OC1=O 90275 [0,1,0,0,0,0|2,0,0]=3 102 B15R2.984 O=C(O)C1=CC2=CC=CC=C2C=C1O D77800 [0,1,0,0,0,0|1,0,0]=2 103 B15R2.984 O=C(O)C1=CC2=CC=CC=C2N=C1Cl 73800 [0,1,0,0,0,0|2,0,0]=3 104 B15R2.984 O=C(O)C1=CC2=CC=CC=C2N=C1O 62383 [0,1,0,0,0,0|2,0,0]=3 105 B15R2.984 O=[N+]([O-])C1=CC2=CC=CC=C2N=C1O D83573 [0,1,0,0,0,0|3,0,0]=4 106 B15R2.1601 COC(=O)C1=CC2=CC=CC=C2C=C1 H11325 [0,1,0,0,0,0|0,0,0]=1 107 B15R2.1601 COC(=O)C1=CC2=CC=CC=C2C=N1 64350 [0,1,0,0,0,0|1,0,0]=2 108 B15R2.1601 COC(=O)C1=CC2=CC=CN=C2C=C1 63112 [0,1,0,0,0,0|1,0,0]=2 109 B15R2.1601 COC(=O)C1=CC2=CC=NC=C2C=C1 72151 [0,1,0,0,0,0|1,0,0]=2 110 B15R2.1601 COC(=O)C1=CC2=NC=CN=C2C=C1 81277 [0,1,0,0,0,0|2,0,0]=3 111 B15R2.1601 COC(=O)C1=NC2=CC=CC=C2C=C1 C73740 [0,1,0,0,0,0|1,0,0]=2 112 B15R2.1601 NNC(=O)C1=NC2=CC=CC=C2N=C1 D94314 [0,1,0,0,0,0|3,0,0]=4 113 B15R2.1601 N\C(=N/O)C1=CC2=CC=CC=C2C=C1 W10705 [0,1,0,0,0,0|1,0,1]=3 114 B15R2.1601 O=C(CBr)C1=CC2=CC=CC=C2C=C1 73953 [0,1,0,0,0,0|0,0,0]=1 115 B15R2.4441 F[B-](F)(F)C1=CC2=CC=CC=C2C=C1 W16750 [0,1,0,0,0,0|3,0,0]=4 116 B15R2.4441 NS(=O)(=O)C1=CC2=CC=CC=C2C=C1 S11962 [0,1,0,0,0,0|2,0,0]=3 117 B15R2.4441 O=S(=O)(Cl)C1=CC2=CC=CC=C2C=C1 D77675 [0,1,0,0,0,0|2,0,0]=3 118 B15R2.4441 O=S(=O)(O)C1=CC2=CC=CC=C2C=C1 AT25159 [0,1,0,0,0,0|2,0,0]=3 119 B15R2.4441 O=S(=O)([O-])C1=CC2=CC=CC=C2C=C1 AC7882 [0,1,0,0,0,0|2,0,0]=3 120 B15R2.7174 CC(=O)C1=CC2=C(C=C1)OCC(=O)N2 69907 [0,1,0,0,0,0|2,0,1]=4 121 B15R2.7174 CC(=O)C1=CN=C2C=CC(Br)=CC2=C1 D93359 [0,1,0,0,0,0|1,0,0]=2 122 B15R2.7174 O=C(O)C1=CC2=C(C=CC(Br)=C2)OC1 C15706 [0,1,0,0,0,0|2,0,1]=4 123 B15R2.7174 O=C(O)C1=CC2=C(C=CC(Cl)=C2)OC1 C16444 [0,1,0,0,0,0|2,0,1]=4 124 B15R2.7174 O=C(O)C1=CN=C2C=CC(Cl)=CC2=C1 69442 [0,1,0,0,0,0|2,0,0]=3 125 B15R2.7174 O=C(O)C1=CN=C2C=CC(F)=CC2=C1 69440 [0,1,0,0,0,0|2,0,0]=3 126 B15R2.7174 O=C1C=CC2=C(C=C([N+](=O)[O-])C=C2)N1 D82549 [0,1,0,0,0,0|3,0,0]=4 127 B15R2.7174 O=[N+]([O-])C1=CC=C2C=CC(Cl)=NC2=C1 27568 [0,1,0,0,0,0|3,0,0]=4 128 B15R2.7180 CC(=O)C1=CC2=C(C=C1)NC(=O)CC2 55723 [0,1,0,0,0,0|1,0,2]=4 129 B15R2.7180 CC(=O)C1=CC2=CC=C(C)N=C2C=C1 D80233 [0,1,0,0,0,0|1,0,0]=2 130 B15R2.7180 CC1=CC=C2C=C(C(=O)O)C=CC2=N1 35345 [0,1,0,0,0,0|2,0,0]=3 131 B15R2.7180 CC1=CC=C2C=C([N+](=O)[O-])C=CC2=N1 71068 [0,1,0,0,0,0|3,0,0]=4 132 B15R2.7180 CC1=NC2=CC=C(N(C)C)C=C2C=C1 78295 [0,1,0,0,0,0|3,0,0]=4 133 B15R2.7180 N=C(N)C1=CC=C2C=C(O)C=CC2=C1 F13872 [0,1,0,0,0,0|2,0,0]=3 134 B15R2.7180 NC1=CC=C2C=C(C(=O)O)C=CC2=C1 D70318 [0,1,0,0,0,0|1,0,0]=2 135 B15R2.7180 O=C(O)C1=CC2=CC=C(O)C=C2C=C1 P16614 [0,1,0,0,0,0|1,0,0]=2 136 B15R2.7180 O=C(O)C1=CC=C2C=C(Br)C=CC2=C1 F13882 [0,1,0,0,0,0|1,0,0]=2 137 B15R2.7180 O=C(O)C1=CN=C2C=C(Cl)C=CC2=C1 69424 [0,1,0,0,0,0|2,0,0]=3 138 B15R2.7180 O=C1C=CC2=C(C=CC(C(=O)O)=C2)O1 86775 [0,1,0,0,0,0|2,0,0]=3 139 B15R2.7180 O=C1C=CC2=C(C=CC([N+](=O)[O-])=C2)N1 AR3710 [0,1,0,0,0,0|3,0,0]=4 140 B15R2.7180 O=C1C=CC2=C(C=CC([N+](=O)[O-])=C2)O1 D77712 [0,1,0,0,0,0|3,0,0]=4 141 B15R2.7180 O=[N+]([O-])C1=CC=C2N=C(Cl)C=CC2=C1 25501 [0,1,0,0,0,0|3,0,0]=4 142 B15R2.7180 OB(O)C1=CC=C2C=C(O)C=CC2=C1 32948 [0,1,0,0,0,0|2,0,1]=4 143 B15R2.13598 O=C(O)C1=CC2=C(C=C1)C(=O)N=CN2 AB1065 [0,1,0,0,0,0|3,0,0]=4 144 B15R2.13598 O=C(O)C1=CC=C2C(Br)=CC=CC2=C1 69006 [0,1,0,0,0,0|1,0,0]=2 145 B15R2.13598 O=C(O)C1=CN=C2C(Br)=CC=CC2=C1 69455 [0,1,0,0,0,0|2,0,0]=3 146 B15R2.14951 O=C(O)C1=CC(=O)C2=C(C=CC=C2)O1 S10677 [0,1,0,0,0,0|2,0,0]=3 147 B15R2.14951 O=C(O)C1=NC2=CC=CC=C2C(O)=C1 S12153 [0,1,0,0,0,0|2,0,0]=3 148 B15R2.61353 O=C(O)C1=CC2=C(C=C1)N=CNC2=O SC2981 [0,1,0,0,0,0|3,0,0]=4 149 B15R2.61353 O=C(O)C1=CC=C2C=CC=C(Br)C2=N1 80322 [0,1,0,0,0,0|2,0,0]=3 150 B15R2.61353 O=C(O)C1=CC=C2C=CC=C(F)C2=N1 80299 [0,1,0,0,0,0|2,0,0]=3 151 B15R2.61353 O=C(O)C1=CC=C2N=CC=C(Br)C2=C1 80302 [0,1,0,0,0,0|2,0,0]=3 152 B15R2.61353 O=C(O)C1=NC2=C(O)C=CC=C2C=C1 F13965 [0,1,0,0,0,0|2,0,0]=3 153 B15R2.61353 O=C1C=COC2=C1C=C([N+](=O)[O-])C=C2 T72554 [0,1,0,0,0,0|3,0,0]=4 154 B13R1.74 CN(C)C1=CC=C(\C=C\C=O)C=C1 D77810 [0,0,1,0,0,0|3,0,0]=4 155 B13R1.74 O=C\C=C\C1=CC=C([N+](=O)[O-])C=C1 78066 [0,0,1,0,0,0|3,0,0]=4 156 B13R1.90 COC1=C(\C=C/C(=O)O)C=CC=C1 D85910 [0,0,1,0,0,0|2,0,1]=4 157 B13R1.90 COC1=C(\C=C\C(=O)O)C=CC=C1 H10727 [0,0,1,0,0,0|2,0,1]=4 158 B13R1.90 O=CC1=C(\C=C\C(=O)O)C=CC=C1 D81892 [0,0,1,0,0,0|2,0,0]=3 159 B13R1.418 N#C\C(=C\C1=CC=CC=C1)C(=O)O D89248 [0,0,1,0,0,0|2,0,1]=4 160 B13R2.72 CC(=O)C1=CNC2=C1C=CC=C2 W10344 [0,0,0,0,1,0|1,0,0]=2 161 B13R2.72 CC(=O)C1=CNC2=C1C=CC=N2 25182 [0,0,0,0,1,0|2,0,0]=3 162 B13R2.72 CC(=O)N1CCC2=C1C=CC=C2 71031 [0,0,0,0,1,0|1,0,2]=4 163 B13R2.72 CC(=O)N1N=CC2=C1C=CC=C2 O10245 [0,0,0,0,1,0|2,0,0]=3 164 B13R2.72 CC(=O)N1N=NC2=C1C=CC=C2 AB1004 [0,0,0,0,1,0|3,0,0]=4 165 B13R2.72 CC(C)C1=CNC2=C1C=CC=C2 D94911 [0,0,0,0,1,0|2,0,1]=4 166 B13R2.72 NC(=O)C1=CNC2=C1C=CC=C2 C73221 [0,0,0,0,1,0|2,0,0]=3 167 B13R2.72 NC(=O)C1=NNC2=C1C=CC=C2 Y10088 [0,0,0,0,1,0|3,0,0]=4 168 B13R2.72 O=C(O)C1=C2C=CC=CN2C=N1 26394 [0,0,0,0,1,0|3,0,0]=4 169 B13R2.72 O=C(O)C1=C2C=CC=CN2N=C1 34649 [0,0,0,0,1,0|3,0,0]=4 170 B13R2.72 O=C(O)C1=CCC2=C1C=CC=C2 71093 [0,0,0,0,1,0|1,0,1]=3 171 B13R2.72 O=C(O)C1=CN=C2C=CC=CN12 24784 [0,0,0,0,1,0|3,0,0]=4 172 B13R2.72 O=C(O)C1=CNC2=C1C=CC=C2 23500 [0,0,0,0,1,0|2,0,0]=3 173 B13R2.72 O=C(O)C1=CNC2=C1C=CC=N2 65530 [0,0,0,0,1,0|3,0,0]=4 174 B13R2.72 O=C(O)C1=CNC2=CC=CN=C21 CL3445 [0,0,0,0,1,0|3,0,0]=4 175 B13R2.72 O=C(O)C1=COC2=C1C=CC=C2 C80096 [0,0,0,0,1,0|2,0,0]=3 176 B13R2.72 O=C(O)C1=CSC2=C1C=CC=C2 53678 [0,0,0,0,1,0|2,0,0]=3 177 B13R2.72 O=C(O)C1=NNC2=C1C=CC=C2 26030 [0,0,0,0,1,0|3,0,0]=4 178 B13R2.72 O=C(O)C1=NOC2=C1C=CC=C2 25280 [0,0,0,0,1,0|3,0,0]=4 179 B13R2.430 CC(=O)C1=CC2=C(C=C1)CCC2 89895 [0,0,0,0,1,0|0,0,3]=4 180 B13R2.430 CC(=O)C1=CC2=C(C=C1)NC=C2 62800 [0,0,0,0,1,0|1,0,0]=2 181 B13R2.430 CC(=O)C1=CC2=C(C=C1)NCC2 FD13072 [0,0,0,0,1,0|1,0,2]=4 182 B13R2.430 CC(=O)C1=CC2=C(C=C1)NN=C2 24149 [0,0,0,0,1,0|2,0,0]=3 183 B13R2.430 CC(=O)C1=CC2=C(C=C1)OCC2 29678 [0,0,0,0,1,0|1,0,2]=4 184 B13R2.430 CC(=O)C1=CC2=C(C=C1)OCO2 F10428 [0,0,0,0,1,0|2,0,1]=4 185 B13R2.430 CC(=O)C1=CC2=C(C=C1)SC=C2 73775 [0,0,0,0,1,0|1,0,0]=2 186 B13R2.430 CC(=O)C1=CC2=C(C=C1)SC=N2 O10315 [0,0,0,0,1,0|2,0,0]=3 187 B13R2.430 CC(=O)C1=CC2=C(C=CN2)C=C1 35684 [0,0,0,0,1,0|1,0,0]=2 188 B13R2.430 NC(=O)C1=CC2=C(C=C1)NC=C2 50908 [0,0,0,0,1,0|2,0,0]=3 189 B13R2.430 O=C(O)C1=CC2=C(C=C1)C=NN2 50697 [0,0,0,0,1,0|3,0,0]=4 190 B13R2.430 O=C(O)C1=CC2=C(C=C1)N=CN2 63570 [0,0,0,0,1,0|3,0,0]=4 191 B13R2.430 O=C(O)C1=CC2=C(C=C1)N=CO2 24449 [0,0,0,0,1,0|3,0,0]=4 192 B13R2.430 O=C(O)C1=CC2=C(C=C1)N=CS2 87279 [0,0,0,0,1,0|3,0,0]=4 193 B13R2.430 O=C(O)C1=CC2=C(C=C1)NC=C2 62506 [0,0,0,0,1,0|2,0,0]=3 194 B13R2.430 O=C(O)C1=CC2=C(C=C1)NC=N2 CL3437 [0,0,0,0,1,0|3,0,0]=4 195 B13R2.430 O=C(O)C1=CC2=C(C=C1)NN=C2 68325 [0,0,0,0,1,0|3,0,0]=4 196 B13R2.430 O=C(O)C1=CC2=C(C=C1)NN=C2 79361 [0,0,0,0,1,0|3,0,0]=4 197 B13R2.430 O=C(O)C1=CC2=C(C=C1)OC=C2 52670 [0,0,0,0,1,0|2,0,0]=3 198 B13R2.430 O=C(O)C1=CC2=C(C=C1)SC=N2 24443 [0,0,0,0,1,0|3,0,0]=4 199 B13R2.430 O=C(O)C1=CC2=C(C=CN2)C=C1 33881 [0,0,0,0,1,0|2,0,0]=3 200 B13R2.430 O=C(O)C1=CC2=C(C=CO2)C=C1 68029 [0,0,0,0,1,0|2,0,0]=3 201 B13R2.430 O=C(O)C1=CC2=CN=CN2C=C1 26871 [0,0,0,0,1,0|3,0,0]=4 202 B13R2.430 O=C(O)C1=CC2=NC=CN2C=C1 37249 [0,0,0,0,1,0|3,0,0]=4 203 B13R2.430 O=C(O)C1=CN=C2NC=CC2=C1 25794 [0,0,0,0,1,0|3,0,0]=4 204 B13R2.430 O=C(O)C1=NC2=C(C=CN2)C=C1 80700 [0,0,0,0,1,0|3,0,0]=4 205 B13R2.430 O=[N+]([O-])C1=CC2=C(C=C1)NC=C2 27276 [0,0,0,0,1,0|3,0,0]=4 206 B13R2.430 O=[N+]([O-])C1=CC2=C(C=C1)SC=C2 F31192 [0,0,0,0,1,0|3,0,0]=4 207 B13R2.430 O=[N+]([O-])C1=CC2=C(C=CN2)C=C1 33905 [0,0,0,0,1,0|3,0,0]=4 208 B13R2.435 CC(=O)C1=CC2=C(C=CC=C2)N1 26375 [0,0,0,0,1,0|1,0,0]=2 209 B13R2.435 CC(=O)C1=CC2=C(C=CC=C2)O1 S10131 [0,0,0,0,1,0|1,0,0]=2 210 B13R2.435 CC(=O)C1=CC2=C(C=CC=C2)S1 50304 [0,0,0,0,1,0|1,0,0]=2 211 B13R2.435 CC(=O)C1=NC2=C(C=CC=C2)N1 I10097 [0,0,0,0,1,0|2,0,0]=3 212 B13R2.435 CC(=O)C1=NC2=C(C=CC=C2)S1 D82815 [0,0,0,0,1,0|2,0,0]=3 213 B13R2.435 NC(=O)C1=NC2=C(C=CC=C2)N1 27762 [0,0,0,0,1,0|3,0,0]=4 214 B13R2.435 NC(=O)C1=NC2=C(C=CC=C2)S1 58581 [0,0,0,0,1,0|3,0,0]=4 215 B13R2.435 O=C(Cl)C1=CC2=C(C=CC=C2)O1 F14760 [0,0,0,0,1,0|2,0,0]=3 216 B13R2.435 O=C(Cl)C1=CC2=C(C=CC=C2)S1 29569 [0,0,0,0,1,0|2,0,0]=3 217 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)N1 33880 [0,0,0,0,1,0|2,0,0]=3 218 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)O1 O11693 [0,0,0,0,1,0|2,0,0]=3 219 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)S1 28795 [0,0,0,0,1,0|2,0,0]=3 220 B13R2.435 O=C(O)C1=CC2=C(C=CC=N2)N1 69398 [0,0,0,0,1,0|3,0,0]=4 221 B13R2.435 O=C(O)C1=CC2=C(C=CN=C2)N1 82838 [0,0,0,0,1,0|3,0,0]=4 222 B13R2.435 O=C(O)C1=CC2=C(C=NC=C2)N1 BL007542 [0,0,0,0,1,0|3,0,0]=4 223 B13R2.435 O=C(O)C1=CC2=C(N=CC=C2)N1 65540 [0,0,0,0,1,0|3,0,0]=4 224 B13R2.435 O=C(O)C1=CN2C=CC=CC2=C1 F51524 [0,0,0,0,1,0|2,0,0]=3 225 B13R2.435 O=C(O)C1=CN2C=CC=CC2=N1 68905 [0,0,0,0,1,0|3,0,0]=4 226 B13R2.435 O=C(O)C1=CN2C=CC=CC2=N1 W10230 [0,0,0,0,1,0|3,0,0]=4 227 B13R2.435 O=C(O)C1=NC2=C(C=CC=C2)N1 53616 [0,0,0,0,1,0|3,0,0]=4 228 B13R2.435 O=C(O)C1=NN2C=CC=CC2=C1 BL005417 [0,0,0,0,1,0|3,0,0]=4 229 B15R2.1668 CC(=O)CC1=NC2=CC=CC=C2C=C1 D81627 [0,0,0,0,0,1|1,0,0]=2 230 B15R2.1668 O=C(Cl)CC1=CC2=CC=CC=C2C=C1 30098 [0,0,0,0,0,1|1,0,0]=2 231 B15R2.1668 O=C(O)CC1=CC2=CC=CC=C2C=C1 28551 [0,0,0,0,0,1|1,0,0]=2 232 B15R2.1668 O=C(O)CC1=CC2=CC=CN=C2C=C1 BL006181 [0,0,0,0,0,1|2,0,0]=3 233 B15R2.1668 O=C(O)CC1=CC2=NC=CN=C2C=C1 33605 [0,0,0,0,0,1|3,0,0]=4 234 B12R1.71 COC1=CC=C(\C=C\C=O)C=C1 D82618 [1,0,1,0,0,0|2,0,0]=4 235 B12R1.121 COC1=C(\C=C\C=O)C=CC=C1 O10862 [1,0,1,0,0,0|1,0,1]=4 236 B12R1.125 CC1=C(\C=C\C(=O)O)C=CC=C1 73977 [1,0,1,0,0,0|1,0,1]=4 237 B12R1.125 O=C(O)\C=C\C1=C(Br)C=CC=C1 28628 [1,0,1,0,0,0|2,0,0]=4 238 B12R1.125 O=C(O)\C=C\C1=C(Br)C=CC=C1 D73309 [1,0,1,0,0,0|2,0,0]=4 239 B12R1.125 O=C(O)\C=C\C1=C(Cl)C=CC=C1 AC7821 [1,0,1,0,0,0|2,0,0]=4 240 B12R1.125 O=C(O)\C=C\C1=C(F)C=CC=C1 AC7832 [1,0,1,0,0,0|2,0,0]=4 241 B12R1.125 O=C(O)\C=C\C1=C(O)C=CC=C1 42496 [1,0,1,0,0,0|2,0,0]=4 242 B12R1.252 O=C(O)C\C=C\C1=CC=CC=C1 F14822 [1,0,1,0,0,0|1,0,1]=4 243 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O F13740 [1,0,1,0,0,0|1,0,1]=4 244 B12R1.27 COC(=O)\C=C\C1=CC=CC=C1 P16737 [1,0,1,0,0,0|2,0,0]=4 245 B12R1.382 C=CCOC1=CC=CC(C=O)=C1 79770 [1,0,1,0,0,0|1,0,1]=4 246 B12R2.24 BrC1=CC2=CC=CC=C2C=C1 11690 [2,0,0,0,0,0|1,0,0]=3 247 B12R2.24 BrC1=CC2=CC=CC=C2C=N1 83057 [2,0,0,0,0,0|2,0,0]=4 248 B12R2.24 BrC1=CC2=CC=CC=C2N=C1 20440 [2,0,0,0,0,0|2,0,0]=4 249 B12R2.24 BrC1=CC2=CC=CN=C2C=C1 82327 [2,0,0,0,0,0|2,0,0]=4 250 B12R2.24 BrC1=CC2=CC=CN=C2C=C1 F19168 [2,0,0,0,0,0|2,0,0]=4 251 B12R2.24 BrC1=CC2=CC=NC=C2C=C1 54514 [2,0,0,0,0,0|2,0,0]=4 252 B12R2.24 BrC1=CC2=CN=CC=C2C=C1 51831 [2,0,0,0,0,0|2,0,0]=4 253 B12R2.24 BrC1=NC2=CC=CC=C2C=C1 83965 [2,0,0,0,0,0|2,0,0]=4 254 B12R2.24 CC1=CC2=CC=CC=C2N=C1 26336 [2,0,0,0,0,0|1,0,0]=3 255 B12R2.24 CC1=CC=C2C=CC=NC2=C1 I11486 [2,0,0,0,0,0|1,0,0]=3 256 B12R2.24 CC1=CC=C2C=NC=CC2=C1 64314 [2,0,0,0,0,0|1,0,0]=3 257 B12R2.24 CC1=CC=C2N=CC=NC2=C1 81086 [2,0,0,0,0,0|2,0,0]=4 258 B12R2.24 CC1=NC2=CC=CC=C2N=C1 64125 [2,0,0,0,0,0|2,0,0]=4 259 B12R2.24 CC1=NC2=CC=CN=C2C=C1 37485 [2,0,0,0,0,0|2,0,0]=4 260 B12R2.24 CC1=NC2=NC=CC=C2C=C1 83029 [2,0,0,0,0,0|2,0,0]=4 261 B12R2.24 ClC1=CC2=CC=CC=C2C=C1 59608 [2,0,0,0,0,0|1,0,0]=3 262 B12R2.24 ClC1=CC2=CC=CC=C2C=N1 CL1011 [2,0,0,0,0,0|2,0,0]=4 263 B12R2.24 ClC1=CC2=CC=CC=C2N=C1 35418 [2,0,0,0,0,0|2,0,0]=4 264 B12R2.24 ClC1=CC2=CC=CN=C2C=C1 F13912 [2,0,0,0,0,0|2,0,0]=4 265 B12R2.24 ClC1=CC2=CC=NC=C2C=C1 57497 [2,0,0,0,0,0|2,0,0]=4 266 B12R2.24 ClC1=CC2=NC=CC=C2C=C1 23720 [2,0,0,0,0,0|2,0,0]=4 267 B12R2.24 ClC1=NC2=CC=CC=C2C=C1 58004 [2,0,0,0,0,0|2,0,0]=4 268 B12R2.24 FC1=CC2=CC=CC=C2C=C1 C74649 [2,0,0,0,0,0|1,0,0]=3 269 B12R2.24 FC1=CC2=CC=CN=C2C=C1 35937 [2,0,0,0,0,0|2,0,0]=4 270 B12R2.24 FC1=CC2=CC=NC=C2C=C1 61657 [2,0,0,0,0,0|2,0,0]=4 271 B12R2.24 IC1=CC2=CC=CC=C2C=C1 S11969 [2,0,0,0,0,0|1,0,0]=3 272 B12R2.24 IC1=CC2=CC=CN=C2C=C1 23627 [2,0,0,0,0,0|2,0,0]=4 273 B12R2.24 NC1=CC2=CC=CC=C2C=C1 23168 [2,0,0,0,0,0|1,0,0]=3 274 B12R2.24 NC1=CC2=CC=CC=C2C=N1 62878 [2,0,0,0,0,0|2,0,0]=4 275 B12R2.24 NC1=CC2=CC=CC=C2N=C1 33959 [2,0,0,0,0,0|2,0,0]=4 276 B12R2.24 NC1=CC=C2C=CC=NC2=C1 25780 [2,0,0,0,0,0|2,0,0]=4 277 B12R2.24 NC1=CC=C2C=NC=CC2=C1 52048 [2,0,0,0,0,0|2,0,0]=4 278 B12R2.24 NC1=CC=C2N=CC=CC2=C1 82704 [2,0,0,0,0,0|2,0,0]=4 279 B12R2.24 NC1=NC2=CC=CC=C2C=C1 33958 [2,0,0,0,0,0|2,0,0]=4 280 B12R2.24 O=C1C=C2C=CC=CC2=CN1 P10536 [2,0,0,0,0,0|1,0,0]=3 281 B12R2.24 O=C1C=CC2=C(C=CC=C2)O1 D81844 [2,0,0,0,0,0|1,0,0]=3 282 B12R2.24 O=C1C=NC2=C(C=CC=C2)N1 F16123 [2,0,0,0,0,0|2,0,0]=4 283 B12R2.24 OC1=CC2=CC=CC=C2C=C1 D86186 [2,0,0,0,0,0|0,0,1]=3 284 B12R2.24 OC1=CC2=CC=CC=C2C=N1 28407 [2,0,0,0,0,0|1,0,1]=4 285 B12R2.24 OC1=CC2=CC=CC=C2N=C1 29144 [2,0,0,0,0,0|1,0,1]=4 286 B12R2.24 OC1=CC2=CC=CN=C2C=C1 CX1058 [2,0,0,0,0,0|1,0,1]=4 287 B12R2.24 OC1=CC2=CC=NC=C2C=C1 62313 [2,0,0,0,0,0|1,0,1]=4 288 B12R2.24 OC1=CC2=CN=CC=C2C=C1 37350 [2,0,0,0,0,0|1,0,1]=4 289 B12R2.24 OC1=CC2=NC=CC=C2C=C1 83197 [2,0,0,0,0,0|1,0,1]=4 290 B12R2.24 OC1=NC2=CC=CC=C2C=C1 70352 [2,0,0,0,0,0|1,0,1]=4 291 B12R2.24 SC1=CC2=CC=CC=C2C=C1 D70681 [2,0,0,0,0,0|0,1,0]=3 292 B12R2.24 [O-][N+]1=CC2=CC=CC=C2C=C1 11305 [2,0,0,0,0,0|1,0,1]=4 293 B14R1.419 O=C(O)\C=C\C1=CC=C(C(=O)O)C=C1 D70259 [0,1,1,0,0,0|2,0,0]=4 294 B14R1.5389 C=CCC1=C(O)C=CC(C(C)=O)=C1O 36743 [0,1,1,0,0,0|1,0,1]=4 295 B14R1.1031 COC(=O)\C(C#N)=C\C1=CC=CC=C1 32540 [0,1,1,0,0,0|1,0,1]=4 296 B14R1.4513 CC(=O)C(=CC1=CC=CC=C1)C(C)=O D97761 [0,1,1,0,0,0|0,0,1]=3 297 B14R2.92 COC1=C(Br)C2=CC=CC=C2C=C1 34060 [1,1,0,0,0,0|1,0,0]=3 298 B14R2.92 O=CC1=C(Br)C2=CC=CC=C2C=C1 F10408 [1,1,0,0,0,0|0,0,0]=2 299 B14R2.92 O=CC1=C(Cl)C2=C(C=CC=C2)CC1 76073 [1,1,0,0,0,0|0,0,2]=4 300 B14R2.92 O=CC1=COC2=C(C=CC=C2)C1=O 61422 [1,1,0,0,0,0|1,0,0]=3 301 B14R2.112 CNCC1=CC2=CC=CC=C2C=C1 F16331 [1,1,0,0,0,0|0,0,1]=3 302 B14R2.112 N#CCC1=CC2=CC=CC=C2C=C1 29284 [1,1,0,0,0,0|0,0,2]=4 303 B14R2.112 OCCC1=CC2=CC=CC=C2C=C1 D81979 [1,1,0,0,0,0|0,0,1]=3 304 B14R2.112 OCCC1=NC2=CC=CC=C2C=C1 83285 [1,1,0,0,0,0|1,0,1]=4 305 B14R2.134 COC1=CC2=C(C=CC(=O)O2)C=C1 84574 [1,1,0,0,0,0|2,0,0]=4 306 B14R2.134 COC1=CC2=CC(C)=NC=C2C=C1 76373 [1,1,0,0,0,0|2,0,0]=4 307 B14R2.134 COC1=CC2=CC(O)=CC=C2C=C1 29882 [1,1,0,0,0,0|1,0,0]=3 308 B14R2.134 COC1=CC=C2C=CC(Br)=CC2=N1 26693 [1,1,0,0,0,0|2,0,0]=4 309 B14R2.142 COC1=CC2=C(C=C1)NC=CC2=O 39341 [1,1,0,0,0,0|2,0,0]=4 310 B14R2.142 COC1=CC2=C(O)C=CN=C2C=C1 O11608 [1,1,0,0,0,0|2,0,0]=4 311 B14R2.142 COC1=CC=C2N=CC=C(Cl)C2=C1 29006 [1,1,0,0,0,0|2,0,0]=4 312 B14R2.142 O=CC1=NC2=C(O)C=CC=C2C=C1 84598 [1,1,0,0,0,0|1,0,0]=3 313 B14R2.1019 COC1=CC2=CC=CN=C2C(Br)=C1 87934 [1,1,0,0,0,0|2,0,0]=4 314 B14R2.1019 COC1=CC2=CC=CN=C2C(N)=C1 VT1420 [1,1,0,0,0,0|2,0,0]=4 315 B14R2.1128 COC1=CC2=CC=CN=C2C=C1F 27987 [1,1,0,0,0,0|2,0,0]=4 316 B14R2.1128 COC1=CC2=NC=CC=C2C=C1C AC2182 [1,1,0,0,0,0|2,0,0]=4 317 B14R2.1128 O=CC1=CC2=CC=CC=C2N=C1Cl 50954 [1,1,0,0,0,0|1,0,0]=3 318 B14R2.1801 COC1=CC2=C(C=C1)C(=O)NC=C2 CL1037 [1,1,0,0,0,0|2,0,0]=4 319 B14R2.1801 COC1=CC2=CC=CC(O)=C2C=C1 FD10559 [1,1,0,0,0,0|1,0,0]=3 320 B14R2.1801 COC1=CC2=CC=C[N+]([O-])=C2C=C1 A11077 [1,1,0,0,0,0|2,0,0]=4 321 B14R2.1801 COC1=CC2=NC=CC(O)=C2C=C1 68444 [1,1,0,0,0,0|2,0,0]=4 322 B14R2.1801 COC1=CC=C2C(=C1)C=CN=C2Cl 86485 [1,1,0,0,0,0|2,0,0]=4 323 B14R2.1801 COC1=CC=C2C(Cl)=CC=NC2=C1 68447 [1,1,0,0,0,0|2,0,0]=4 324 B14R2.2332 BrCC1=CC=C2C=C(Br)C=CC2=C1 O10686 [1,1,0,0,0,0|1,0,1]=4 325 B14R2.2332 COC1=CC2=CC=C(C)N=C2C=C1 F17645 [1,1,0,0,0,0|2,0,0]=4 326 B14R2.2332 COC1=CC2=CC=C(N)C=C2C=C1 D83217 [1,1,0,0,0,0|1,0,0]=3 327 B14R2.2332 COC1=CC2=CC=C(O)C=C2C=C1 64227 [1,1,0,0,0,0|1,0,0]=3 328 B14R2.2332 COC1=CC=C2C=C(Br)C=CC2=C1 L10015 [1,1,0,0,0,0|1,0,0]=3 329 B14R2.2332 COC1=CC=C2C=C(Br)C=CC2=N1 BL002346 [1,1,0,0,0,0|2,0,0]=4 330 B14R2.2332 COC1=CC=C2N=C(Cl)C=CC2=C1 84002 [1,1,0,0,0,0|2,0,0]=4 331 B14R2.2332 N#CC1=CC=C2C=C(O)C=CC2=C1 34054 [1,1,0,0,0,0|1,0,1]=4 332 B14R2.2332 O=CC1=CC2=CC=C(O)C=C2C=C1 33032 [1,1,0,0,0,0|0,0,0]=2 333 B14R2.2332 O=CC1=CC=C2C=C(Br)C=CC2=C1 74340 [1,1,0,0,0,0|0,0,0]=2 334 B14R2.2332 O=CC1=CC=C2C=C(F)C=CC2=N1 80263 [1,1,0,0,0,0|1,0,0]=3 335 B14R2.95 COC(=O)C1=CNC2=C1C=CC=C2 AB9732 [0,1,0,0,1,0|1,0,0]=3 336 B14R2.95 COC(=O)C1=CNC2=C1C=CC=N2 BL005934 [0,1,0,0,1,0|2,0,0]=4 337 B14R2.95 COC(=O)C1=CNC2=C1C=CN=C2 27525 [0,1,0,0,1,0|2,0,0]=4 338 B14R2.95 COC(=O)C1=CNC2=CC=CN=C21 27547 [0,1,0,0,1,0|2,0,0]=4 339 B14R2.95 COC(=O)C1=CSC2=C1C=CC=C2 D97365 [0,1,0,0,1,0|1,0,0]=3 340 B14R2.95 COC(=O)C1=NNC2=C1C=CC=C2 26041 [0,1,0,0,1,0|2,0,0]=4 341 B14R2.95 COC(=O)C1=NOC2=C1C=CC=C2 W10270 [0,1,0,0,1,0|2,0,0]=4 342 B14R2.95 NCC(=O)C1=CNC2=C1C=CC=C2 I11142 [0,1,0,0,1,0|1,0,0]=3 343 B14R2.95 NNC(=O)C1=CNC2=C1C=CC=C2 23700 [0,1,0,0,1,0|2,0,0]=4 344 B14R2.95 O=C(CCl)C1=CNC2=C1C=CC=C2 A10305 [0,1,0,0,1,0|1,0,0]=3 345 B14R2.300 CC(=O)N1C=CC2=C1C=CC(Br)=C2 33897 [0,1,0,0,1,0|1,0,0]=3 346 B14R2.300 CC(=O)N1N=CC2=C1C=CC(Cl)=C2 35978 [0,1,0,0,1,0|2,0,0]=4 347 B14R2.300 CC1=CC2=C(C=C1)C(C(=O)O)=CN2 24447 [0,1,0,0,1,0|2,0,0]=4 348 B14R2.300 O=C(O)C1=CNC2=C1C=CC(Br)=C2 83160 [0,1,0,0,1,0|2,0,0]=4 349 B14R2.300 O=C(O)C1=CNC2=C1C=CC(Cl)=C2 24866 [0,1,0,0,1,0|2,0,0]=4 350 B14R2.642 CC1=C(C(=O)O)C2=C(C=CC=C2)N1 W16963 [0,1,0,0,1,0|2,0,0]=4 351 B14R2.642 CC1=C(C(N)=O)C2=C(C=CC=C2)N1 T71206 [0,1,0,0,1,0|2,0,0]=4 352 B14R2.5816 CC(=O)C1=CNC2=C1C=C(Br)C=C2 Y10149 [0,1,0,0,1,0|1,0,0]=3 353 B14R2.5816 CC(=O)C1=CNC2=NC=C(Br)C=C12 37408 [0,1,0,0,1,0|2,0,0]=4 354 B14R2.5816 CC1=CC2=C(C=C1)NC=C2C(=O)O 23495 [0,1,0,0,1,0|2,0,0]=4 355 B14R2.5816 O=C(O)C1=CNC2=C1C=C(Br)C=C2 56140 [0,1,0,0,1,0|2,0,0]=4 356 B14R2.5816 O=C(O)C1=CNC2=C1C=C(Cl)C=C2 63761 [0,1,0,0,1,0|2,0,0]=4 357 B14R2.5816 O=C(O)C1=CNC2=C1C=C(F)C=C2 33860 [0,1,0,0,1,0|2,0,0]=4 358 B14R2.8032 CC1=CC=CC2=C1NC=C2C(=O)O 25181 [0,1,0,0,1,0|2,0,0]=4 359 B14R2.8032 O=C(O)C1=CNC2=C(Cl)C=CC=C12 63765 [0,1,0,0,1,0|2,0,0]=4 360 B14R2.8053 CC(=O)C1=CNC2=NC=CC(Cl)=C12 P11504 [0,1,0,0,1,0|2,0,0]=4 361 B14R2.8053 CC1=C2C(=CC=C1)NC=C2C(=O)O 27434 [0,1,0,0,1,0|2,0,0]=4 362 B14R2.8053 O=C(O)C1=CNC2=CC=CC(Br)=C21 33851 [0,1,0,0,1,0|2,0,0]=4 363 B14R2.8053 O=C(O)C1=CNC2=CC=CC(Cl)=C21 35507 [0,1,0,0,1,0|2,0,0]=4 364 B14R2.25733 CC(=O)C1=NN(C)C2=C1C=CC=C2 25843 [0,1,0,0,1,0|2,0,0]=4 365 B14R2.25733 CC(=O)N1C=C(Br)C2=C1C=CC=C2 H10576 [0,1,0,0,1,0|1,0,0]=3 366 B14R2.25733 CC(=O)N1CC(=O)C2=C1C=CC=C2 24820 [0,1,0,0,1,0|1,0,1]=4 367 B14R2.25733 CN1C=C(C(=O)O)C2=C1C=CC=C2 26039 [0,1,0,0,1,0|2,0,0]=4 368 B14R2.25733 CN1C=C(C(N)=O)C2=C1C=CC=C2 D97507 [0,1,0,0,1,0|2,0,0]=4 369 B14R2.601 CC(=O)C1=CC2=C(C=C1)NC(=O)O2 77554 [0,1,0,0,1,0|2,0,0]=4 370 B14R2.601 CC(=O)C1=CC2=C(C=C1)NC(=O)S2 D88049 [0,1,0,0,1,0|2,0,0]=4 371 B14R2.624 O=C(O)C1=C(F)C=C2C=COC2=C1 C10919 [0,1,0,0,1,0|2,0,0]=4 372 B14R2.966 COC(=O)C1=CC2=C(C=C1)C=NN2 27028 [0,1,0,0,1,0|2,0,0]=4 373 B14R2.966 COC(=O)C1=CC2=C(C=C1)NC=C2 37337 [0,1,0,0,1,0|1,0,0]=3 374 B14R2.966 COC(=O)C1=CC2=C(C=C1)NC=N2 CL3438 [0,1,0,0,1,0|2,0,0]=4 375 B14R2.966 COC(=O)C1=CC2=C(C=C1)NN=C2 52434 [0,1,0,0,1,0|2,0,0]=4 376 B14R2.966 COC(=O)C1=CC2=C(C=C1)OC=C2 52667 [0,1,0,0,1,0|1,0,0]=3 377 B14R2.966 COC(=O)C1=CC2=C(C=CN2)C=C1 81231 [0,1,0,0,1,0|1,0,0]=3 378 B14R2.966 COC(=O)C1=CC2=CC=CN2C=C1 26776 [0,1,0,0,1,0|1,0,0]=3 379 B14R2.966 COC(=O)C1=CC2=NC=CN2C=C1 37250 [0,1,0,0,1,0|2,0,0]=4 380 B14R2.966 COC(=O)C1=CN2C=CN=C2C=C1 81274 [0,1,0,0,1,0|2,0,0]=4 381 B14R2.966 COC(=O)C1=CN=C2NC=CC2=C1 53339 [0,1,0,0,1,0|2,0,0]=4 382 B14R2.966 COC(=O)C1=NC=C2NC=CC2=C1 38816 [0,1,0,0,1,0|2,0,0]=4 383 B14R2.5719 CN1C=CC2=C1C=CC(C(=O)O)=C2 49366 [0,1,0,0,1,0|2,0,0]=4 384 B14R2.5719 O=C(O)C1=CC2=C(C=C1)C(Br)=CN2 30360 [0,1,0,0,1,0|2,0,0]=4 385 B14R2.24358 CN1C=CC2=C1C=C(C(=O)O)C=C2 BL003387 [0,1,0,0,1,0|2,0,0]=4 386 B14R2.24358 O=C(O)C1=CC2=C(C=C1)NC=C2Br 30475 [0,1,0,0,1,0|2,0,0]=4 387 B14R2.450 CC1=C(C(=O)O)CC2=C1C=CC=C2 F20204 [0,1,0,0,1,0|1,0,1]=4 388 B14R2.450 CC1=C(C(=O)O)NC2=C1C=CC=C2 86904 [0,1,0,0,1,0|2,0,0]=4 389 B14R2.450 CC1=C(C(=O)O)OC2=C1C=CC=C2 CX1247 [0,1,0,0,1,0|2,0,0]=4 390 B14R2.450 CC1=C(C(=O)O)SC2=C1C=CC=C2 84165 [0,1,0,0,1,0|2,0,0]=4 391 B14R2.450 CN1C(C(=O)O)=CC2=C1C=CC=C2 64221 [0,1,0,0,1,0|2,0,0]=4 392 B14R2.450 NC(=O)C1=C(N)C2=C(C=CC=C2)O1 11616 [0,1,0,0,1,0|2,0,0]=4 393 B14R2.450 O=C(Cl)C1=C(Cl)C2=C(C=CC=C2)S1 32817 [0,1,0,0,1,0|2,0,0]=4 394 B14R2.450 O=C(O)C1=C(Br)C2=C(C=CC=C2)N1 29481 [0,1,0,0,1,0|2,0,0]=4 395 B14R2.450 O=C(O)C1=C(Cl)C2=C(C=CC=C2)N1 D86903 [0,1,0,0,1,0|2,0,0]=4 396 B14R2.450 O=C(O)C1=C(Cl)C2=C(C=CC=C2)S1 29432 [0,1,0,0,1,0|2,0,0]=4 397 B14R2.972 COC(=O)C1=CC2=C(C=CC=C2)N1 34022 [0,1,0,0,1,0|1,0,0]=3 398 B14R2.972 COC(=O)C1=CC2=C(C=CC=C2)O1 AC4641 [0,1,0,0,1,0|1,0,0]=3 399 B14R2.972 COC(=O)C1=CC2=C(C=CC=C2)S1 28907 [0,1,0,0,1,0|1,0,0]=3 400 B14R2.972 COC(=O)C1=CC2=C(C=CN=C2)S1 81278 [0,1,0,0,1,0|2,0,0]=4 401 B14R2.972 COC(=O)C1=CC2=C(N=CC=C2)N1 63402 [0,1,0,0,1,0|2,0,0]=4 402 B14R2.972 COC(=O)C1=NC2=C(C=CC=C2)O1 27062 [0,1,0,0,1,0|2,0,0]=4 403 B14R2.972 COC(=O)C1=NN2C=CC=CC2=C1 63598 [0,1,0,0,1,0|2,0,0]=4 404 B14R2.972 NNC(=O)C1=CC2=C(C=CC=C2)N1 D97620 [0,1,0,0,1,0|2,0,0]=4 405 B14R2.972 O=C(CBr)C1=NC2=C(C=CC=C2)S1 71454 [0,1,0,0,1,0|2,0,0]=4 406 B14R2.4529 CC(=O)C1=CC2=C(C=CC(Br)=C2)O1 77541 [0,1,0,0,1,0|1,0,0]=3 407 B14R2.4529 CC1=CC2=C(C=C1)C=C(C(=O)O)N2 64738 [0,1,0,0,1,0|2,0,0]=4 408 B14R2.4529 CC1=CC2=C(C=C1)NC(C(=O)O)=C2 33895 [0,1,0,0,1,0|2,0,0]=4 409 B14R2.4529 NC(=O)C1=CC2=C(C=C(Cl)C=C2)N1 D97363 [0,1,0,0,1,0|2,0,0]=4 410 B14R2.4529 NC(=O)C1=CC2=C(C=CC(Cl)=C2)N1 C74007 [0,1,0,0,1,0|2,0,0]=4 411 B14R2.4529 O=C(O)C1=CC2=C(C=C(Br)C=C2)N1 33627 [0,1,0,0,1,0|2,0,0]=4 412 B14R2.4529 O=C(O)C1=CC2=C(C=C(Cl)C=C2)N1 33864 [0,1,0,0,1,0|2,0,0]=4 413 B14R2.4529 O=C(O)C1=CC2=C(C=C(Cl)C=C2)S1 O11580 [0,1,0,0,1,0|2,0,0]=4 414 B14R2.4529 O=C(O)C1=CC2=C(C=C(F)C=C2)N1 33866 [0,1,0,0,1,0|2,0,0]=4 415 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Br)=C2)N1 33857 [0,1,0,0,1,0|2,0,0]=4 416 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Br)=C2)O1 H11401 [0,1,0,0,1,0|2,0,0]=4 417 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Br)=C2)S1 FD7313 [0,1,0,0,1,0|2,0,0]=4 418 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Cl)=C2)N1 CL3504 [0,1,0,0,1,0|2,0,0]=4 419 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Cl)=C2)O1 50626 [0,1,0,0,1,0|2,0,0]=4 420 B14R2.4529 O=C(O)C1=CC2=C(C=CC(F)=C2)N1 33858 [0,1,0,0,1,0|2,0,0]=4 421 B14R2.4529 O=C(O)C1=CC2=C(C=CC(F)=C2)S1 76283 [0,1,0,0,1,0|2,0,0]=4 422 B14R2.7969 NC1=CC=CC2=C1C=C(C(=O)O)N2 D82694 [0,1,0,0,1,0|2,0,0]=4 423 B14R2.7969 O=C(O)C1=CC2=C(Br)C=CC=C2N1 25409 [0,1,0,0,1,0|2,0,0]=4 424 B14R2.7969 O=C(O)C1=CC2=C(Br)C=CC=C2S1 P10257 [0,1,0,0,1,0|2,0,0]=4 425 B14R2.7969 O=C(O)C1=CC2=C(Cl)C=CC=C2N1 33940 [0,1,0,0,1,0|2,0,0]=4 426 B14R2.7969 O=C(O)C1=CC2=C(Cl)C=CC=C2S1 71576 [0,1,0,0,1,0|2,0,0]=4 427 B14R2.7969 O=C(O)C1=CC2=C(F)C=CC=C2N1 25097 [0,1,0,0,1,0|2,0,0]=4 428 B14R2.7969 O=C(O)C1=CC2=CC=CC(Br)=C2N1 25785 [0,1,0,0,1,0|2,0,0]=4 429 B14R2.7969 O=C(O)C1=CC2=CC=CC(Br)=C2O1 66267 [0,1,0,0,1,0|2,0,0]=4 430 B14R2.7969 O=C(O)C1=CC2=CC=CC(Cl)=C2N1 35690 [0,1,0,0,1,0|2,0,0]=4 431 B14R2.7969 O=C(O)C1=CC2=CC=CC(Cl)=C2S1 25342 [0,1,0,0,1,0|2,0,0]=4 432 B16R2.5347 COC(=O)CC1=CC2=CC=CC=C2C=C1 D84582 [0,1,0,0,0,1|0,0,0]=2 433 B16R2.1229 COC(=O)C1=C(Br)C2=CC=CC=C2C=C1 A12923 [0,2,0,0,0,0|0,0,0]=2 434 B16R2.1229 COC(=O)C1=C(O)C2=CC=CC=C2C=C1 D97460 [0,2,0,0,0,0|0,0,0]=2 435 B16R2.1229 COC(=O)C1=CNC2=C(C=CC=C2)C1=O 81258 [0,2,0,0,0,0|1,0,0]=3 436 B16R2.12044 O=C(O)C1=C(Cl)C2=CC(F)=CC=C2N=C1 59238 [0,2,0,0,0,0|2,0,0]=4 437 B16R2.12044 O=C(O)C1=CN=C2C=CC(Br)=CC2=C1O 71305 [0,2,0,0,0,0|2,0,0]=4 438 B16R2.12044 O=C(O)C1=CN=C2C=CC(Cl)=CC2=C1O AB2766 [0,2,0,0,0,0|2,0,0]=4 439 B16R2.12044 O=C(O)C1=CN=C2C=CC(F)=CC2=C1O 23319 [0,2,0,0,0,0|2,0,0]=4 440 B16R2.22861 O=C(O)C1=CN=C2C(Cl)=CC=CC2=C1O AB8884 [0,2,0,0,0,0|2,0,0]=4 441 B16R2.22861 O=C(O)C1=CN=C2C(F)=CC=CC2=C1O 29007 [0,2,0,0,0,0|2,0,0]=4 442 B16R2.23331 CN1C=C(C(=O)O)C(=O)C2=C1C=CC=C2 71298 [0,2,0,0,0,0|2,0,0]=4 443 B16R2.23331 O=C(O)C1=C(O)C2=CC=CC=C2C(O)=C1 H11275 [0,2,0,0,0,0|1,0,0]=3 444 B16R2.23372 O=C(O)C1=C(O)C2=CC=CC=C2C=C1O 77848 [0,2,0,0,0,0|1,0,0]=3 445 B16R2.133456 O=C(O)C1=CN=C2C=C(Cl)C=CC2=C1O D81876 [0,2,0,0,0,0|2,0,0]=4 446 B16R2.1612 COC1=CC2=CC=CC=C2C=C1C(=O)O 73991 [0,2,0,0,0,0|1,0,0]=3 447 B16R2.23520 CC(=O)C1=CC2=C(C=C(O)C=C2)OC1=O D96021 [0,2,0,0,0,0|1,0,0]=3 448 B16R2.23521 O=C(O)C1=C(O)C=C2C=CC(Br)=CC2=C1 56883 [0,2,0,0,0,0|1,0,0]=3 449 B16R2.23521 O=C(O)C1=C(O)N=C2C=CC(Cl)=CC2=C1 58139 [0,2,0,0,0,0|2,0,0]=4 450 B16R2.23521 O=C(O)C1=CC2=C(C=CC(Br)=C2)OC1=O 90286 [0,2,0,0,0,0|2,0,0]=4 451 B16R2.23521 O=C(O)C1=CC2=C(C=CC(Cl)=C2)OC1=O 90285 [0,2,0,0,0,0|2,0,0]=4 452 B16R2.23521 O=C(O)C1=CC2=CC(O)=CC=C2C=C1O H10875 [0,2,0,0,0,0|1,0,0]=3 453 B16R2.33941 COC(=O)C1=CC2=CC=CC=C2C=C1O F17484 [0,2,0,0,0,0|0,0,0]=2 454 B16R2.33941 NNC(=O)C1=CC2=CC=CC=C2C=C1O 77995 [0,2,0,0,0,0|1,0,0]=3 455 B16R2.33941 O=C(CBr)C1=CC2=C(C=CC=C2)OC1=O D78403 [0,2,0,0,0,0|1,0,0]=3 456 B16R2.126889 O=C(O)C1=CC2=CC=CC(O)=C2C=C1O O10923 [0,2,0,0,0,0|1,0,0]=3 457 B16R2.767 CCOC(=O)C1=CC2=CC=CC=C2C=N1 35973 [0,2,0,0,0,0|1,0,0]=3 458 B16R2.767 CCOC(=O)C1=CC2=CC=CC=C2N=C1 80045 [0,2,0,0,0,0|1,0,0]=3 459 B16R2.767 CCOC(=O)C1=CC2=CC=CN=C2C=C1 23428 [0,2,0,0,0,0|1,0,0]=3 460 B16R2.767 CCOC(=O)C1=CC2=CC=NC=C2C=C1 72597 [0,2,0,0,0,0|1,0,0]=3 461 B16R2.767 CCOC(=O)C1=NC2=CC=CC=C2C=C1 F19172 [0,2,0,0,0,0|1,0,0]=3 462 B16R2.1212 COC(=O)C1=CC2=C(O)C=CN=C2C=C1 D74679 [0,2,0,0,0,0|1,0,0]=3 463 B16R2.1212 COC(=O)C1=CC=C2N=CC=C(Br)C2=C1 F20039 [0,2,0,0,0,0|1,0,0]=3 464 B16R2.1212 COC(=O)C1=CC=C2N=CC=C(Cl)C2=C1 Y11407 [0,2,0,0,0,0|1,0,0]=3 465 B16R2.33799 CNC(=O)C1=CC=C2C=C(Br)C=CC2=C1 I10169 [0,2,0,0,0,0|0,0,0]=2 466 B16R2.33799 COC(=O)C1=CC2=CC=C(N)C=C2C=C1 T70991 [0,2,0,0,0,0|0,0,0]=2 467 B16R2.33799 COC(=O)C1=CC2=CC=C(O)C=C2C=C1 11592 [0,2,0,0,0,0|0,0,0]=2 468 B16R2.33799 COC(=O)C1=CC=C2C=C(Br)C=CC2=C1 AB7472 [0,2,0,0,0,0|0,0,0]=2 469 B16R2.33799 COC(=O)C1=CC=C2N=C(Cl)C=CC2=C1 O11873 [0,2,0,0,0,0|1,0,0]=3 470 B16R2.33887 COC(=O)C1=NC2=CC=CC=C2C(O)=C1 25093 [0,2,0,0,0,0|1,0,0]=3 471 B16R2.173132 COC(=O)C1=CC2=C(C=C1)C(=O)NC=N2 81260 [0,2,0,0,0,0|2,0,0]=4 472 B16R2.173132 COC(=O)C1=CC2=CC=NC(N)=C2C=C1 VT1109 [0,2,0,0,0,0|1,0,0]=3 473 B16R2.173132 COC(=O)C1=CC=C2C(=C1)N=CN=C2Cl SC1321 [0,2,0,0,0,0|2,0,0]=4 474 B16R2.173132 COC(=O)C1=CC=C2C(Cl)=CC=NC2=C1 67578 [0,2,0,0,0,0|1,0,0]=3 475 B16R2.11974 NC1=CC=C2C=CC(S(=O)(=O)O)=CC2=C1 D88252 [0,2,0,0,0,0|2,0,0]=4 476 B16R2.11974 O=S(=O)([O-])C1=CC2=CC(O)=CC=C2C=C1 D91633 [0,2,0,0,0,0|2,0,0]=4 477 B16R2.11987 NC1=CC=C2C=C(S(=O)(=O)O)C=CC2=C1 H11304 [0,2,0,0,0,0|2,0,0]=4 478 B16R2.11987 O=S(=O)([O-])C1=CC2=CC=C(O)C=C2C=C1 D91765 [0,2,0,0,0,0|2,0,0]=4 479 B16R2.22857 NC1=C2C=CC(S(=O)(=O)O)=CC2=CC=C1 F19569 [0,2,0,0,0,0|2,0,0]=4 480 B16R2.7476 COC1=CC=C2N=CC(C(=O)O)=CC2=C1 69453 [0,2,0,0,0,0|2,0,0]=4 481 B16R2.7486 COC1=CC2=CC=C([C@H](C)O)C=C2C=C1 D82886 [0,2,0,0,0,0|0,0,2]=4 482 B16R2.7486 COC1=CC=C2C=C(C(=O)O)C=CC2=C1 64225 [0,2,0,0,0,0|1,0,0]=3 483 B16R2.7486 COC1=CC=C2C=C(C(=O)O)C=NC2=C1 69435 [0,2,0,0,0,0|2,0,0]=4 484 B16R2.7486 COC1=CC=C2C=C(C(C)=O)C=CC2=C1 AC1237 [0,2,0,0,0,0|0,0,0]=2 485 B16R2.7486 COC1=CC=C2N=C(C(=O)O)C=CC2=C1 71726 [0,2,0,0,0,0|2,0,0]=4 486 B16R2.11989 O=C(O)C1=CN=C2C(=C1)C=CC(F)=C2F 33301 [0,2,0,0,0,0|2,0,0]=4 487 B16R2.23501 CC1=CC2=C(C=C1)OC(C(=O)O)=CC2=O T72526 [0,2,0,0,0,0|2,0,0]=4 488 B16R2.23501 O=C(O)C1=CC(=O)C2=C(C=CC(Br)=C2)O1 78106 [0,2,0,0,0,0|2,0,0]=4 489 B16R2.23501 O=C(O)C1=CC(=O)C2=C(C=CC(Cl)=C2)O1 F13910 [0,2,0,0,0,0|2,0,0]=4 490 B16R2.23501 O=C(O)C1=CC(=O)C2=C(C=CC(F)=C2)O1 S10905 [0,2,0,0,0,0|2,0,0]=4 491 B14R2.2 CC(=O)CC1=CNC2=C1C=CC=C2 51539 [0,0,1,1,0,0|1,0,1]=4 492 B14R2.2 CC(=O)OC1=CNC2=C1C=CC=C2 33918 [0,0,1,1,0,0|2,0,0]=4 493 B14R2.31359 CC(=O)C1=CC=CC2=CC=CC=C21 D70015 [0,0,1,1,0,0|0,0,0]=2 494 B14R2.31359 CC(=O)C1=NC=CC2=CC=CC=C21 F31068 [0,0,1,1,0,0|1,0,0]=3 495 B14R2.31359 CN(C)C1=CC=CC2=CC=CC=C21 D89713 [0,0,1,1,0,0|2,0,0]=4 496 B14R2.31359 C[C@H](N)C1=CC=CC2=CC=CC=C21 64578 [0,0,1,1,0,0|1,0,1]=4 497 B14R2.31359 C[C@H](N)C1=CC=CC2=CC=CC=C21 67748 [0,0,1,1,0,0|1,0,1]=4 498 B14R2.31359 C[C@H](N)C1=CC=CC2=CC=CC=C21 A10705 [0,0,1,1,0,0|1,0,1]=4 499 B14R2.31359 C[C@H](N)C1=CC=CC2=CC=CC=C21 N12093 [0,0,1,1,0,0|1,0,1]=4 500 B14R2.31359 C[C@H](O)C1=CC=CC2=CC=CC=C21 64571 [0,0,1,1,0,0|0,0,2]=4 501 B14R2.31359 C[C@H](O)C1=CC=CC2=CC=CC=C21 64572 [0,0,1,1,0,0|0,0,2]=4 502 B14R2.31359 NC(=O)C1=CC=CC2=CC=CC=C21 S10611 [0,0,1,1,0,0|1,0,0]=3 503 B14R2.31359 NC(=O)C1=CC=NC2=CC=CC=C21 S11967 [0,0,1,1,0,0|2,0,0]=4 504 B14R2.31359 O=C(Cl)C1=CC=CC2=CC=CC=C21 F11279 [0,0,1,1,0,0|1,0,0]=3 505 B14R2.31359 O=C(O)C1=CC=CC2=CC=CC=C21 AC8079 [0,0,1,1,0,0|1,0,0]=3 506 B14R2.31359 O=C(O)C1=CC=CC2=CC=CN=C21 34012 [0,0,1,1,0,0|2,0,0]=4 507 B14R2.31359 O=C(O)C1=CC=CC2=CN=CC=C21 24389 [0,0,1,1,0,0|2,0,0]=4 508 B14R2.31359 O=C(O)C1=CC=CC2=NC=CC=C12 BL002636 [0,0,1,1,0,0|2,0,0]=4 509 B14R2.31359 O=C(O)C1=CC=NC2=CC=CC=C21 78322 [0,0,1,1,0,0|2,0,0]=4 510 B14R2.31359 O=C(O)C1=CN=CC2=CC=CC=C21 25908 [0,0,1,1,0,0|2,0,0]=4 511 B14R2.31359 O=C(O)C1=NC=CC2=CC=CC=C21 25914 [0,0,1,1,0,0|2,0,0]=4 512 B14R2.31359 O=[N+]([O-])C1=CC=CC2=CC=CC=C21 D97666 [0,0,1,1,0,0|2,0,0]=4 513 B16R3.335 CC1=CC2=C(C=CC3=CC=CC=C32)C1 A11178 [0,0,0,1,0,1|1,0,0]=3 514 B16R3.335 CC1=NC2=C(C=CC3=CC=CC=C32)S1 H10816 [0,0,0,1,0,1|1,0,0]=3 515 B16R3.335 CC1=NC2=C(O1)C3=CC=CC=C3C=C2 T72057 [0,0,0,1,0,1|0,0,1]=3 516 B16R3.2273 CC1=NC2=CC3=CC=CC=C3C=C2O1 26066 [0,0,0,1,0,1|0,0,1]=3 517 B12R2.1 O=CC1=C2C=CC=CN2C=N1 25506 [1,0,0,0,1,0|2,0,0]=4 518 B12R2.1 O=CC1=C2C=CC=CN2N=C1 25508 [1,0,0,0,1,0|2,0,0]=4 519 B12R2.1 O=CC1=CN=C2C=CC=CN12 29092 [1,0,0,0,1,0|2,0,0]=4 520 B12R2.1 O=CC1=CNC2=C1C=CC=C2 25124 [1,0,0,0,1,0|1,0,0]=3 521 B12R2.1 O=CC1=CNC2=C1C=CC=N2 63012 [1,0,0,0,1,0|2,0,0]=4 522 B12R2.1 O=CC1=CNC2=C1C=CN=C2 74212 [1,0,0,0,1,0|2,0,0]=4 523 B12R2.1 O=CC1=CSC2=C1C=CC=C2 33530 [1,0,0,0,1,0|1,0,0]=3 524 B12R2.1 O=CC1=NNC2=C1C=CC=C2 88861 [1,0,0,0,1,0|2,0,0]=4 525 B12R2.32 CCC1=CC2=C(C=CC=C2)N1 Y10749 [1,0,0,0,1,0|1,0,1]=4 526 B12R2.32 O=CC1=CC2=C(C=CC=C2)N1 52682 [1,0,0,0,1,0|1,0,0]=3 527 B12R2.32 O=CC1=CC2=C(C=CC=C2)O1 53682 [1,0,0,0,1,0|1,0,0]=3 528 B12R2.32 O=CC1=CC2=C(C=CC=C2)S1 82463 [1,0,0,0,1,0|1,0,0]=3 529 B12R2.32 O=CC1=NC2=C(C=CC=C2)N1 82999 [1,0,0,0,1,0|2,0,0]=4 530 B12R2.32 O=CC1=NC2=C(C=CC=C2)S1 73938 [1,0,0,0,1,0|2,0,0]=4 531 B12R2.44 COC1=CC2=C(C=C1)NC=C2 29335 [1,0,0,0,1,0|2,0,0]=4 532 B12R2.44 COC1=CC2=C(C=CN2)C=C1 29336 [1,0,0,0,1,0|2,0,0]=4 533 B12R2.44 COC1=CC2=C(C=CO2)C=C1 F10222 [1,0,0,0,1,0|2,0,0]=4 534 B12R2.44 COC1=CC2=C(C=CS2)C=C1 82369 [1,0,0,0,1,0|2,0,0]=4 535 B12R2.44 CSC1=CC2=C(C=C1)NC=C2 69558 [1,0,0,0,1,0|2,0,0]=4 536 B12R2.44 O=CC1=CC2=C(C=C1)C=NN2 83092 [1,0,0,0,1,0|2,0,0]=4 537 B12R2.44 O=CC1=CC2=C(C=C1)N=CS2 98447 [1,0,0,0,1,0|2,0,0]=4 538 B12R2.44 O=CC1=CC2=C(C=C1)NC=C2 29295 [1,0,0,0,1,0|1,0,0]=3 539 B12R2.44 O=CC1=CC2=C(C=C1)NC=N2 30253 [1,0,0,0,1,0|2,0,0]=4 540 B12R2.44 O=CC1=CC2=C(C=C1)NN=C2 25891 [1,0,0,0,1,0|2,0,0]=4 541 B12R2.44 O=CC1=CC2=C(C=C1)OC=C2 24019 [1,0,0,0,1,0|1,0,0]=3 542 B12R2.44 O=CC1=CC2=C(C=C1)SC=C2 F11170 [1,0,0,0,1,0|1,0,0]=3 543 B12R2.44 O=CC1=CC2=C(C=CN2)C=C1 62702 [1,0,0,0,1,0|1,0,0]=3 544 B12R2.44 O=CC1=CC2=NC=CN2C=C1 37578 [1,0,0,0,1,0|2,0,0]=4 545 B12R2.44 O=CC1=CN2C=CN=C2C=C1 81214 [1,0,0,0,1,0|2,0,0]=4 546 B14R2.1008 O=C(O)CC1=CC2=C(C=C1)OC=C2 N12392 [0,0,0,0,1,1|2,0,0]=4 547 B14R2.1008 O=C(O)CC1=CC2=C(C=CN2)C=C1 RB3238 [0,0,0,0,1,1|2,0,0]=4 548 B16R2.477 CC(=O)OCC1=CC2=CC=CC=C2C=C1 D94180 [0,0,0,0,0,2|0,0,0]=2 549 B16R2.477 CC(C)COC1=CC2=CC=CC=C2C=C1 D97688 [0,0,0,0,0,2|1,0,1]=4 550 B16R2.477 O=C(O)CCC1=CC2=CC=CC=C2C=C1 30358 [0,0,0,0,0,2|1,0,0]=3 551 B16R2.477 O=C(O)COC1=CC2=CC=CC=C2C=C1 H11815 [0,0,0,0,0,2|1,0,0]=3