0 B10R1.61 C1=CC(=C(N=C1)Br)C(=O)O 5226 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.61 C1=CC(=C(N=C1)C(=O)O)N 10236 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.61 C1=CC(=C(N=C1)Cl)C(=O)O 5074 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.61 C1=CC(=C(N=C1)Cl)C(=O)O 9565 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.61 C1=CC(=C(N=C1)Cl)[N+](=O)[O-] 5452 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.61 C1=CC(=C(N=C1)F)C(=O)O 6239 [0,0,0,0,0,0|3,0,0]=3 6 B10R1.61 C1=CC(=C(N=C1)N)C(=O)O 8982 [0,0,0,0,0,0|3,0,0]=3 7 B10R1.61 C1=CC(=C(N=C1)N)[N+](=O)[O-] 6721 [0,0,0,0,0,0|4,0,0]=4 8 B10R1.61 C1=CC(=C(N=C1)[N+](=O)[O-])O 10088 [0,0,0,0,0,0|4,0,0]=4 9 B10R1.61 C1=CC=C(C(=C1)C(=O)N)F 6116 [0,0,0,0,0,0|4,0,0]=4 10 B10R1.61 C1=CC=C(C(=C1)C(=O)O)F 10438 [0,0,0,0,0,0|4,0,0]=4 11 B10R1.61 C1=CC=C(C(=C1)C(=O)O)F 5361 [0,0,0,0,0,0|4,0,0]=4 12 B10R1.61 C1=CC=C(C(=C1)C(=O)O)I 10195 [0,0,0,0,0,0|4,0,0]=4 13 B10R1.61 CC(=O)C1=C(N=CC=C1)Cl 10697 [0,0,0,0,0,0|2,0,0]=2 14 B10R1.61 CC(=O)C1=CC=CC=C1Cl 6154 [0,0,0,0,0,0|3,0,0]=3 15 B10R1.61 CC(=O)C1=CC=CC=C1F 5580 [0,0,0,0,0,0|3,0,0]=3 16 B10R1.61 CC(=O)C1=CC=CC=C1F 6042 [0,0,0,0,0,0|3,0,0]=3 17 B10R1.61 CC1=C(C=CC=N1)C(=O)O 8461 [0,0,0,0,0,0|2,0,0]=2 18 B10R1.61 CC1=NC=CN=C1C(=O)C 6120 [0,0,0,0,0,0|0,0,0]=0 19 B9R1.6 C1=CC=C(C=C1)C(=O)O 9205 [1,0,0,0,0,0|3,0,0]=4 20 B9R1.6 C1=CC=NC(=C1)C(=S)N 6571 [1,0,0,0,0,0|2,1,0]=4 21 B9R1.6 C1=CN=C(C=N1)C(=O)O 6728 [1,0,0,0,0,0|1,0,0]=2 22 B9R1.6 C1=CN=CN=C1C(=O)O 10206 [1,0,0,0,0,0|3,0,0]=4 23 B9R1.6 C1=CN=CN=C1C(=O)O 6729 [1,0,0,0,0,0|3,0,0]=4 24 B9R1.6 CC(=O)C1=NC=CN=C1 6119 [1,0,0,0,0,0|0,0,0]=1 25 B9R1.6 c1ccnc(c1)C(=O)O P2885 [1,0,0,0,0,0|2,0,0]=3 26 B9R1.6 c1cncnc1C(=O)O P8990 [1,0,0,0,0,0|3,0,0]=4 27 B9R1.15 C1=CC(=C(N=C1)N)C=O 9322 [1,0,0,0,0,0|2,0,0]=3 28 B9R1.15 C1=CC=C(C(=C1)C=O)O 5096 [1,0,0,0,0,0|3,0,0]=4 29 B9R1.15 COC1=C(C=CC=N1)N 6512 [1,0,0,0,0,0|3,0,0]=4 30 B9R1.15 COC1=C(N=CC=C1)Cl 9004 [1,0,0,0,0,0|3,0,0]=4 31 B11R1.53 COC1=C(N=CC=C1)[N+](=O)[O-] 10550 [0,1,0,0,0,0|3,0,0]=4 32 B11R1.53 CSC1=CC=CC=C1C(=O)O 9495 [0,1,0,0,0,0|3,0,0]=4 33 B11R1.156 C1=CN=C(C(=C1Cl)C(=O)O)Cl 10555 [0,1,0,0,0,0|3,0,0]=4 34 B11R1.156 CC(=O)C1=C(C=CC=C1Cl)F 5981 [0,1,0,0,0,0|3,0,0]=4 35 B11R1.156 CC(=O)C1=C(C=CC=C1F)F 5605 [0,1,0,0,0,0|3,0,0]=4 36 B11R1.156 CC(=O)C1=C(C=CC=C1O)O 6860 [0,1,0,0,0,0|3,0,0]=4 37 B11R1.156 CC1=C(C(=CC=C1)Cl)C(=O)N 6850 [0,1,0,0,0,0|3,0,0]=4 38 B11R1.156 CC1=C(C(=CC=C1)Cl)C(=O)O 9895 [0,1,0,0,0,0|3,0,0]=4 39 B11R1.156 CC1=C(C(=CC=C1)N)C(=O)O 10650 [0,1,0,0,0,0|3,0,0]=4 40 B11R1.159 CC(=O)C1=C(C(=CC=C1)F)F 9780 [0,1,0,0,0,0|3,0,0]=4 41 B11R1.159 CC(=O)C1=C(C(=CC=C1)N)O 6667 [0,1,0,0,0,0|3,0,0]=4 42 B11R1.159 CC1=C(C=CC=C1Br)C(=O)O 8705 [0,1,0,0,0,0|3,0,0]=4 43 B11R1.159 CC1=C(C=CC=C1Cl)C(=O)O 5119 [0,1,0,0,0,0|3,0,0]=4 44 B11R1.159 CC1=C(C=CC=C1F)C(=O)[O-] 5368 [0,1,0,0,0,0|3,0,0]=4 45 B11R1.159 CC1=C(C=CC=C1O)C(=O)O 10009 [0,1,0,0,0,0|3,0,0]=4 46 B11R1.166 C1=C(C(=NC=C1Br)C(=O)O)Cl 9803 [0,1,0,0,0,0|3,0,0]=4 47 B11R1.166 C1=C(C=NC(=C1Cl)C(=O)O)Cl 8448 [0,1,0,0,0,0|3,0,0]=4 48 B11R1.166 C1=CC(=NC(=C1C(=O)O)Cl)Cl 5307 [0,1,0,0,0,0|3,0,0]=4 49 B11R1.166 CC(=O)C1=C(C=C(C=C1)Cl)F 10081 [0,1,0,0,0,0|3,0,0]=4 50 B11R1.166 CC(=O)C1=C(C=C(C=C1)F)O 9883 [0,1,0,0,0,0|3,0,0]=4 51 B11R1.166 CC1=C(C=CC(=C1)Br)C(=O)O 10616 [0,1,0,0,0,0|3,0,0]=4 52 B11R1.166 CC1=C(C=CC(=C1)Cl)C(=O)O 5555 [0,1,0,0,0,0|3,0,0]=4 53 B11R1.166 CC1=C(C=CC(=C1)O)C(=O)O 9034 [0,1,0,0,0,0|3,0,0]=4 54 B11R1.166 CC1=CC(=CN=C1C(=O)O)Br 8694 [0,1,0,0,0,0|2,0,0]=3 55 B11R1.167 C1=C(C(=NC=C1Br)Cl)C(=O)[O-] 5249 [0,1,0,0,0,0|3,0,0]=4 56 B11R1.167 C1=C(C(=NC=C1F)Cl)C(=O)O 9339 [0,1,0,0,0,0|3,0,0]=4 57 B11R1.167 C1=C(N=C(C(=N1)N)C(=O)O)Br 6768 [0,1,0,0,0,0|2,0,0]=3 58 B11R1.167 CC(=O)C1=C(C=CC(=C1)Br)F 10631 [0,1,0,0,0,0|3,0,0]=4 59 B11R1.167 CC(=O)C1=C(C=CC(=C1)Cl)Cl 8109 [0,1,0,0,0,0|3,0,0]=4 60 B11R1.167 CC(=O)C1=C(C=CC(=C1)F)Cl 9377 [0,1,0,0,0,0|3,0,0]=4 61 B11R1.167 CC(=O)C1=C(C=CC(=C1)F)F 5604 [0,1,0,0,0,0|3,0,0]=4 62 B11R1.167 CC(=O)C1=C(C=CC(=C1)O)O 10507 [0,1,0,0,0,0|3,0,0]=4 63 B11R1.167 CC1=C(C=C(C=C1)Br)C(=O)O 9714 [0,1,0,0,0,0|3,0,0]=4 64 B11R1.167 CC1=C(C=C(C=C1)Cl)C(=O)O 9462 [0,1,0,0,0,0|3,0,0]=4 65 B11R1.167 CC1=C(C=C(C=C1)F)C(=O)Cl 6306 [0,1,0,0,0,0|3,0,0]=4 66 B11R1.167 CC1=C(C=C(C=C1)F)C(=O)O 6092 [0,1,0,0,0,0|3,0,0]=4 67 B11R1.167 CC1=C(C=C(C=C1)F)C(=O)O 6093 [0,1,0,0,0,0|3,0,0]=4 68 B11R1.167 CC1=C(C=C(C=C1)O)C(=O)O 9407 [0,1,0,0,0,0|3,0,0]=4 69 B11R1.222 C1=CC=C(C(=C1)C(=O)CBr)F 8148 [0,1,0,0,0,0|3,0,0]=4 70 B11R1.222 CNC(=O)C1=CC=CC=C1N 8920 [0,1,0,0,0,0|3,0,0]=4 71 B11R1.222 COC(=O)C1=C(N=CC=C1)Cl 6783 [0,1,0,0,0,0|2,0,0]=3 72 B11R1.222 COC(=O)C1=CC=CC=C1F 6341 [0,1,0,0,0,0|3,0,0]=4 73 B11R1.222 COC(=O)C1=NC=CN=C1N 10013 [0,1,0,0,0,0|1,0,0]=2 74 B9R1.41 C1=CSC(=C1Br)C(=O)O 5474 [0,0,0,0,1,0|3,0,0]=4 75 B9R1.41 C1=CSC(=C1N)C(=O)N 6479 [0,0,0,0,1,0|3,0,0]=4 76 B9R1.41 CC1=C(SC=N1)C(=O)O 8869 [0,0,0,0,1,0|2,0,0]=3 77 B9R1.41 CN1C(=CC=N1)C(=O)O 8611 [0,0,0,0,1,0|2,0,0]=3 78 B9R1.41 Cc1ccoc1C(=O)O M0024 [0,0,0,0,1,0|2,0,0]=3 79 B11R1.86 CC1=CC=CC=C1CC(=O)O 6025 [0,0,0,0,0,1|3,0,0]=4 80 B8R1.2 C1=CN=C(C=N1)C#N 6122 [2,0,0,0,0,0|1,0,1]=4 81 B8R1.2 COC1=CC=CC=N1 9619 [2,0,0,0,0,0|2,0,0]=4 82 B8R1.2 c1ccnc(c1)C=O P0092 [2,0,0,0,0,0|1,0,0]=3 83 B8R1.5 C1=CN=C(C(=N1)N)Cl 8111 [2,0,0,0,0,0|2,0,0]=4 84 B8R1.5 CC1=C(C=CC=N1)Br 5675 [2,0,0,0,0,0|2,0,0]=4 85 B8R1.5 CC1=C(C=CC=N1)N 10626 [2,0,0,0,0,0|2,0,0]=4 86 B8R1.5 CC1=C(N=CC=C1)Br 8086 [2,0,0,0,0,0|2,0,0]=4 87 B8R1.5 CC1=NC=CN=C1C 10470 [2,0,0,0,0,0|0,0,0]=2 88 B10R1.13 C1=C(N=CC(=N1)Cl)C(=O)O 8658 [1,1,0,0,0,0|1,0,0]=3 89 B10R1.13 C1=CC(=NC=C1C(=O)O)Br 6594 [1,1,0,0,0,0|2,0,0]=4 90 B10R1.13 C1=CC(=NC=C1C(=O)O)F 8791 [1,1,0,0,0,0|2,0,0]=4 91 B10R1.13 C1=CC(=NC=C1C(=O)O)N 5220 [1,1,0,0,0,0|2,0,0]=4 92 B10R1.13 C1=CC(=NC=C1Cl)C(=O)O 9363 [1,1,0,0,0,0|2,0,0]=4 93 B10R1.13 C1=CC(=NC=C1N)C(=O)O 5702 [1,1,0,0,0,0|2,0,0]=4 94 B10R1.13 CC(=O)C1=CC=C(C=C1)I 9277 [1,1,0,0,0,0|2,0,0]=4 95 B10R1.13 CC(=O)C1=CC=C(C=C1)O 8298 [1,1,0,0,0,0|2,0,0]=4 96 B10R1.13 CC(=O)C1=CN=C(C=C1)Cl 9976 [1,1,0,0,0,0|1,0,0]=3 97 B10R1.13 CC1=NC=C(N=C1)C(=O)O 9695 [1,1,0,0,0,0|1,0,0]=3 98 B10R1.15 C1=CC(=CN=C1)C(=O)NN 6873 [1,1,0,0,0,0|2,0,0]=4 99 B10R1.15 C1=CC=C(C=C1)C(=O)CN 5484 [1,1,0,0,0,0|2,0,0]=4 100 B10R1.15 COC(=O)C1=CN=CC=C1 6793 [1,1,0,0,0,0|1,0,0]=3 101 B10R1.15 COC(=O)C1=NC=CC=N1 9564 [1,1,0,0,0,0|2,0,0]=4 102 B10R1.113 C1=C(C=NC=C1Br)C(=O)N 5683 [1,1,0,0,0,0|2,0,0]=4 103 B10R1.113 C1=C(C=NC=C1Cl)C(=O)O 10525 [1,1,0,0,0,0|2,0,0]=4 104 B10R1.113 C1=C(C=NC=C1N)C(=O)O 9365 [1,1,0,0,0,0|2,0,0]=4 105 B10R1.113 C1=C(C=NC=C1O)C(=O)O 5442 [1,1,0,0,0,0|2,0,0]=4 106 B10R1.113 C1=CC(=NC(=C1)Cl)C(=O)O 5646 [1,1,0,0,0,0|2,0,0]=4 107 B10R1.113 C1=CC(=NC(=C1)Cl)C(=O)O 5677 [1,1,0,0,0,0|2,0,0]=4 108 B10R1.113 C1=CC(=NC(=C1)N)C(=O)O 5464 [1,1,0,0,0,0|2,0,0]=4 109 B10R1.113 C1=CN=C(C=C1Br)C(=O)O 5698 [1,1,0,0,0,0|2,0,0]=4 110 B10R1.113 C1=CN=C(C=C1Cl)C(=O)O 9386 [1,1,0,0,0,0|2,0,0]=4 111 B10R1.113 CC(=O)C1=CC(=CC=C1)Cl 10105 [1,1,0,0,0,0|2,0,0]=4 112 B10R1.113 CC(=O)C1=CC(=CC=C1)F 8337 [1,1,0,0,0,0|2,0,0]=4 113 B10R1.113 CC(=O)C1=CC(=CC=C1)I 6861 [1,1,0,0,0,0|2,0,0]=4 114 B10R1.113 CC(=O)C1=CC(=CC=C1)O 5263 [1,1,0,0,0,0|2,0,0]=4 115 B10R1.113 CC(=O)C1=NC(=CC=C1)Br 10007 [1,1,0,0,0,0|1,0,0]=3 116 B10R1.113 CC1=CN=CC(=C1)C(=O)O 9194 [1,1,0,0,0,0|2,0,0]=4 117 B10R1.2 CC1=C(C=CC=C1F)C=O 9593 [1,1,0,0,0,0|2,0,0]=4 118 B10R1.2 CC1=CC=CC(=C1C)C=O 9617 [1,1,0,0,0,0|2,0,0]=4 119 B10R1.20 CCC1=NC=CN=C1OC 5339 [1,1,0,0,0,0|0,0,1]=3 120 B10R1.25 C1=CC(=NC(=C1C=O)Cl)Cl 10651 [1,1,0,0,0,0|2,0,0]=4 121 B10R1.25 CC1=C(C=CC(=C1)Br)C=O 9443 [1,1,0,0,0,0|2,0,0]=4 122 B10R1.245 CC1=C(C(=CC=C1)C)C=O 8504 [1,1,0,0,0,0|2,0,0]=4 123 B10R1.245 CC1=C(C(=CC=C1)Cl)C=O 9501 [1,1,0,0,0,0|2,0,0]=4 124 B10R1.39 CCN1C=CC=C1C(=O)C 6121 [0,1,0,0,1,0|2,0,0]=4 125 B10R1.59 CC(=O)C1=C(SC(=C1)Cl)Cl 6023 [0,1,0,0,1,0|2,0,0]=4 126 B10R1.59 CC1=C(SC(=N1)C)C(=O)O 8236 [0,1,0,0,1,0|2,0,0]=4 127 B10R1.149 COC(=O)C1=C(C=CS1)N 5465 [0,1,0,0,1,0|2,0,0]=4 128 B10R1.149 COC(=O)C1=C(C=CS1)O 10625 [0,1,0,0,1,0|2,0,0]=4 129 B10R1.192 CC1=C(C(=NO1)C)C(=O)Cl 9819 [0,1,0,0,1,0|2,0,0]=4 130 B12R1.57 CC(=O)C1=C(C=C(C=C1)F)OC 9275 [0,2,0,0,0,0|2,0,0]=4 131 B12R1.77 COC(=O)C1=CC=CC=C1CN 10599 [0,2,0,0,0,0|2,0,0]=4 132 B12R1.77 CSC1=C(C=CC=N1)C(=O)NN 8748 [0,2,0,0,0,0|2,0,0]=4 133 B12R1.261 C1=CN=C(C(=N1)C(=O)O)C(=O)O 9329 [0,2,0,0,0,0|1,0,1]=4 134 B12R1.1703 CC1=C(C=CC(=C1)F)C(=O)OC 10692 [0,2,0,0,0,0|2,0,0]=4 135 B12R1.354 COC(=O)C1=CC(=CN=C1Cl)Br 5256 [0,2,0,0,0,0|2,0,0]=4 136 B12R2.1081 C1CC2=CC=CC=C2C(=O)C1 8243 [0,1,0,1,0,0|2,0,0]=4 137 B12R2.1081 CC1=C2C(=CC=C1)N=CC=N2 10554 [0,1,0,1,0,0|1,0,1]=4 138 B12R2.612 C1CC(=O)C2=C1C=C(C=C2)F 5113 [0,1,0,1,0,0|2,0,0]=4 139 B12R2.612 c1cc2c(cc1N)CCC2=O A2089 [0,1,0,1,0,0|2,0,0]=4 140 B12R2.132 C1CC(=O)C2=C1C=CC(=C2)F 9344 [0,1,0,1,0,0|2,0,0]=4 141 B12R2.132 CC1=CC2=C(CCC2=O)C=C1 5495 [0,1,0,1,0,0|2,0,0]=4 142 B12R2.132 c1cc2c(cc1Br)C(=O)CC2 B1144 [0,1,0,1,0,0|2,0,0]=4 143 B8R1.7 C1=C(C=NN1)C(=O)O 9820 [1,0,0,0,1,0|2,0,0]=4 144 B8R1.7 C1=C(NC=N1)C(=O)O 6466 [1,0,0,0,1,0|1,0,1]=4 145 B8R1.7 C1=C(NN=C1)C(=O)O 5200 [1,0,0,0,1,0|2,0,0]=4 146 B8R1.7 C1=C(ON=C1)C(=O)O 6510 [1,0,0,0,1,0|2,0,0]=4 147 B8R1.7 C1=CNC(=C1)C(=O)O 8130 [1,0,0,0,1,0|1,0,1]=4 148 B8R1.7 C1=CON=C1C(=O)O I8529 [1,0,0,0,1,0|2,0,0]=4 149 B8R1.7 C1=CSC(=C1)C(=O)O 5487 [1,0,0,0,1,0|2,0,0]=4 150 B8R1.7 C1=CSC(=C1)C(=O)[O-] 8282 [1,0,0,0,1,0|2,0,0]=4 151 B8R1.7 C1=CSC(=N1)C(=O)O 9615 [1,0,0,0,1,0|2,0,0]=4 152 B8R1.7 C1=NNC(=N1)C(=O)O 10072 [1,0,0,0,1,0|2,0,0]=4 153 B8R1.7 CC(=O)C1=CC=CS1 8482 [1,0,0,0,1,0|1,0,0]=3 154 B8R1.7 CC(=O)C1=CC=CS1 8660 [1,0,0,0,1,0|1,0,0]=3 155 B8R1.7 CC(=O)C1=NC=CS1 10337 [1,0,0,0,1,0|1,0,0]=3 156 B8R1.11 CC1=C(SC=N1)C=O 8622 [1,0,0,0,1,0|1,0,0]=3