0 B10R1.58 CC1=C(Br)C=C(C(=O)O)S1 BB54-4199 [0,0,0,0,0,0|1,1,0]=2 1 B10R1.58 CC1=C(C)SC(C(=O)O)=C1 BB57-2093 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.58 CN1N=C(C(=O)O)N=C1Cl BB58-5138 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.23 CC1=C(Br)C=C(C=O)S1 BB05-0499 [1,0,0,0,0,0|1,1,0]=3 4 B9R1.23 O=CC1=CC(Br)=C(Br)O1 BB17-1111 [1,0,0,0,0,0|0,3,0]=4 5 B9R1.23 O=CC1=CC(Br)=C(Br)S1 BB05-0991 [1,0,0,0,0,0|0,2,0]=3 6 B9R1.35 CC(N)C1=CC=C(Cl)S1 BB55-0009 [1,0,0,0,0,0|2,0,1]=4 7 B9R1.35 CC1=CC(C(=O)O)=CS1 BB55-0634 [1,0,0,0,0,0|3,0,0]=4 8 B9R1.35 CC1=CC=C(C(=O)Cl)S1 BB55-5571 [1,0,0,0,0,0|2,0,0]=3 9 B9R1.35 CC1=CC=C(C(N)=S)S1 BB50-0406 [1,0,0,0,0,0|2,1,0]=4 10 B9R1.35 CC1=CN=C(C(=O)[O-])S1 BB55-8350 [1,0,0,0,0,0|2,0,1]=4 11 B9R1.35 CC1=CNC(C(=O)O)=N1 BB12-3671 [1,0,0,0,0,0|3,0,0]=4 12 B9R1.35 CC1=CSC(C(=O)[O-])=N1 BB55-4757 [1,0,0,0,0,0|2,0,1]=4 13 B9R1.35 CC1=NC(C(=O)O)=CS1 BB01-2835 [1,0,0,0,0,0|3,0,0]=4 14 B9R1.35 CC1=NC=C(C(=O)O)N1 BB90-0104 [1,0,0,0,0,0|3,0,0]=4 15 B9R1.35 CC1=NC=C(C(=O)O)S1 BB57-5871 [1,0,0,0,0,0|2,0,0]=3 16 B9R1.35 CC1=NOC(C(=O)O)=C1 BB05-2690 [1,0,0,0,0,0|2,1,0]=4 17 B9R1.35 CC1=NOC(C(=O)O)=C1 BB54-1988 [1,0,0,0,0,0|2,1,0]=4 18 B9R1.35 CN1C=CC(C(=O)O)=N1 BB54-1623 [1,0,0,0,0,0|3,0,0]=4 19 B9R1.35 CN1C=NC(C(=O)O)=C1 BB54-2031 [1,0,0,0,0,0|3,0,0]=4 20 B9R1.35 NC(=O)C1=CC(Br)=CS1 BB57-1176 [1,0,0,0,0,0|1,1,0]=3 21 B9R1.35 NC(=O)C1=CC=C(Br)O1 BB55-4785 [1,0,0,0,0,0|1,2,0]=4 22 B9R1.35 NC(=O)C1=CC=C(Br)S1 BB55-4786 [1,0,0,0,0,0|1,1,0]=3 23 B9R1.35 NC1=CC(C(=O)O)=NN1 BB55-3807 [1,0,0,0,0,0|3,0,0]=4 24 B9R1.35 NC1=NC(C(=O)O)=CS1 BB55-6527 [1,0,0,0,0,0|3,0,0]=4 25 B9R1.35 NC1=NC=C(C(=O)O)S1 BB57-4014 [1,0,0,0,0,0|2,0,0]=3 26 B9R1.35 NC1=NNC(C(=O)O)=C1 BB05-1116 [1,0,0,0,0,0|3,0,0]=4 27 B9R1.35 O=C(Cl)C1=CC(Br)=CS1 BB55-5706 [1,0,0,0,0,0|1,1,0]=3 28 B9R1.35 O=C(Cl)C1=CC=C(Br)S1 BB55-5569 [1,0,0,0,0,0|1,1,0]=3 29 B9R1.35 O=C(O)C1=CC(Br)=CS1 BB05-1234 [1,0,0,0,0,0|0,1,0]=2 30 B9R1.35 O=C(O)C1=CC(Br)=CS1 BB55-0644 [1,0,0,0,0,0|0,1,0]=2 31 B9R1.35 O=C(O)C1=CC(Cl)=NO1 BB54-5230 [1,0,0,0,0,0|1,1,0]=3 32 B9R1.35 O=C(O)C1=CSC(Br)=N1 BB58-0325 [1,0,0,0,0,0|2,1,0]=4 33 B9R1.35 O=C(O)C1=NC(Cl)=NN1 BB53-2032 [1,0,0,0,0,0|3,0,0]=4 34 B9R1.35 O=C(O)C1=NNC(Cl)=N1 BB55-8865 [1,0,0,0,0,0|3,0,0]=4 35 B9R1.35 O=C1NC=C(C(=O)O)N1 BB26-0164 [1,0,0,0,0,0|3,0,0]=4 36 B9R1.35 O=C1NC=C(C(=O)O)N1 BB58-0110 [1,0,0,0,0,0|3,0,0]=4 37 B11R1.48 CCC1=C(Br)C=C(C(=O)Cl)S1 BB55-5707 [0,1,0,0,0,0|2,1,0]=4 38 B11R1.48 CCC1=C(Br)C=C(C(=O)O)S1 BB05-1236 [0,1,0,0,0,0|1,1,0]=3 39 B11R1.48 CCC1=C(Br)C=C(C(=O)O)S1 BB55-0645 [0,1,0,0,0,0|1,1,0]=3 40 B11R1.226 COC(=O)C1=CC(C)=C(C)O1 BB57-4958 [0,1,0,0,0,0|2,1,0]=4 41 B11R1.21 NC1=C(Br)C=CC(C(=O)O)=C1 BB58-0453 [0,0,0,0,0,1|2,1,0]=4 42 B11R1.21 O=C(O)C1=CC=C(F)C(Cl)=C1 BB12-4696 [0,0,0,0,0,1|1,1,0]=3 43 B11R1.74 CC1=CC(=O)C=C(C(=O)O)N1 BB57-2517 [0,0,0,0,0,1|3,0,0]=4 44 B11R1.74 CC1=CC(=O)C=C(C(=O)O)O1 BB57-2516 [0,0,0,0,0,1|2,1,0]=4 45 B11R1.74 CC1=NC(O)=NC(C(=O)O)=C1 BB01-7742 [0,0,0,0,0,1|3,0,0]=4 46 B11R1.74 N=C(N)C1=CC(Cl)=CC(Cl)=C1 BB32-0910 [0,0,0,0,0,1|3,0,0]=4 47 B11R1.74 N=C1NC(=O)C=C(C(=O)O)S1 BB01-3293 [0,0,0,0,0,1|2,0,0]=3 48 B11R1.74 O=C(O)C1=CC(O)=NC(O)=C1 BB10-1202 [0,0,0,0,0,1|3,0,0]=4 49 B11R1.74 O=C1C=C(C(=O)O)NC(=S)N1 BB54-1700 [0,0,0,0,0,1|3,0,0]=4 50 B11R1.80 CC1=NN(CC(=O)O)C=C1Cl BB05-1042 [0,0,0,0,0,1|3,0,0]=4 51 B11R1.80 CC1=NN(CC(=O)O)C=C1Cl BB55-6585 [0,0,0,0,0,1|3,0,0]=4 52 B11R1.80 NC1=NN(CC(=O)O)C=C1Cl BB05-3123 [0,0,0,0,0,1|3,0,0]=4 53 B8R1.1 CC1=CC=C(CO)S1 BB90-0120 [2,0,0,0,0,0|1,0,1]=4 54 B8R1.1 CC1=CN=C(C=O)S1 BB55-8345 [2,0,0,0,0,0|2,0,0]=4 55 B8R1.1 CC1=NC=C(C=O)S1 BB54-4113 [2,0,0,0,0,0|2,0,0]=4 56 B8R1.1 NC1=NC=C(C=O)S1 BB57-0379 [2,0,0,0,0,0|2,0,0]=4 57 B8R1.1 O=CC1=CC=C(Cl)S1 BB05-2319 [2,0,0,0,0,0|0,0,0]=2 58 B8R1.1 O=CC1=CN=C(Cl)S1 BB55-8396 [2,0,0,0,0,0|1,0,0]=3 59 B8R1.7 O=C(O)C1=CN=CS1 BB55-7267 [2,0,0,0,0,0|1,0,0]=3 60 B8R1.7 O=C(O)C1=NOC=C1 BB20-4533 [2,0,0,0,0,0|2,0,0]=4 61 B8R1.7 O=C([O-])C1=NC=CS1 BB54-4045 [2,0,0,0,0,0|1,0,1]=4 62 B10R1.35 CCC1=C(Br)C=C(C=O)S1 BB05-0498 [1,1,0,0,0,0|1,1,0]=4 63 B10R1.14 CC1=CC=C(C(=O)NN)S1 BB55-2159 [1,1,0,0,0,0|2,0,0]=4 64 B10R1.14 CCC(=O)C1=CC=C(C)S1 BB55-2281 [1,1,0,0,0,0|2,0,0]=4 65 B10R1.14 COC(=O)C1=CC(N)=CS1 BB58-1694 [1,1,0,0,0,0|1,0,0]=3 66 B10R1.14 COC(=O)C1=CC=C(N)S1 BB54-5468 [1,1,0,0,0,0|1,0,0]=3 67 B10R1.14 COC(=O)C1=CN=C(C)S1 BB57-5869 [1,1,0,0,0,0|2,0,0]=4 68 B10R1.14 NNC(=O)C1=CC=C(Br)S1 BB55-2157 [1,1,0,0,0,0|1,1,0]=4 69 B10R1.14 NNC(=O)C1=CC=C(Cl)S1 BB55-2158 [1,1,0,0,0,0|1,0,0]=3 70 B10R1.31 CC(=O)C1=CC(CCl)=CS1 BB54-5393 [1,1,0,0,0,0|1,0,0]=3 71 B10R1.31 CC(=O)C1=CC(CO)=CS1 BB54-2746 [1,1,0,0,0,0|2,0,0]=4 72 B10R1.31 CCC1=CC=C(C(=O)Cl)S1 BB55-5709 [1,1,0,0,0,0|2,0,0]=4 73 B10R1.31 CCC1=CC=C(C(=O)O)S1 BB05-0002 [1,1,0,0,0,0|1,0,0]=3 74 B10R1.31 CCC1=CC=C(C(=O)O)S1 BB55-0647 [1,1,0,0,0,0|1,0,0]=3 75 B10R1.31 NCC1=CC=C(C(=O)O)O1 BB58-1060 [1,1,0,0,0,0|1,1,0]=4 76 B10R1.31 O=C(O)C1=CC=C(CO)O1 BB55-3457 [1,1,0,0,0,0|1,1,0]=4 77 B10R1.59 CC1=C(C(=O)O)N=C(Cl)S1 BB26-0154 [1,1,0,0,0,0|2,0,0]=4 78 B10R1.59 CC1=C(C(=O)O)SC(=O)N1 BB58-1029 [1,1,0,0,0,0|2,0,0]=4 79 B12R1.48 COC1=C(Cl)C=C(C(=O)O)C=C1 BB54-4504 [0,1,0,0,0,1|2,0,0]=4 80 B12R1.56 NNC1=CC(C(=O)O)=CC=C1Cl BB56-0613 [0,1,0,0,0,1|2,0,0]=4 81 B12R1.232 NC1=C(Cl)C=C(Cl)C(C(=O)O)=C1 BB12-4680 [0,1,0,0,0,1|2,0,0]=4 82 B12R1.367 COC(=O)C1=CC(Cl)=C(Br)C=C1 BB17-0831 [0,1,0,0,0,1|1,1,0]=4 83 B12R1.367 COC(=O)C1=CC=C(F)C(Cl)=C1 BB12-4595 [0,1,0,0,0,1|1,1,0]=4 84 B12R1.1005 CC1=C(Cl)C=C(C(=O)O)C=C1N BB17-0446 [0,1,0,0,0,1|2,0,0]=4 85 B12R1.1005 NC1=C(Cl)C(Cl)=CC(C(=O)O)=C1 BB12-4678 [0,1,0,0,0,1|1,0,0]=3 86 B12R1.1005 NC1=CC(C(=O)O)=CC(N)=C1Cl BB54-1365 [0,1,0,0,0,1|2,0,0]=4 87 B12R1.1005 O=C(O)C1=CC(Cl)=C(Br)C(Cl)=C1 BB12-4611 [0,1,0,0,0,1|1,1,0]=4 88 B12R1.1005 O=C(O)C1=CC(Cl)=C(Cl)C(Cl)=C1 BB12-4610 [0,1,0,0,0,1|1,0,0]=3 89 B12R1.1005 O=C(O)C1=CC(Cl)=C(I)C(Cl)=C1 BB12-4720 [0,1,0,0,0,1|1,1,0]=4 90 B12R1.358 COC(=O)C1=CC(Cl)=NC(Cl)=C1 BB54-1607 [0,1,0,0,0,1|1,0,0]=3 91 B12R1.511 CC1=CC(Cl)=CC(C(=O)O)=C1O BB17-0394 [0,1,0,0,0,1|2,0,0]=4 92 B12R1.511 NC(=O)C1=C(I)C(Cl)=CC(Cl)=C1 BB17-0766 [0,1,0,0,0,1|2,0,0]=4 93 B12R1.511 NC1=C(C(=O)O)C=C(Br)C=C1Cl BB17-0405 [0,1,0,0,0,1|1,1,0]=4 94 B12R1.511 NC1=CC(Cl)=CC(C(=O)O)=C1O BB17-0739 [0,1,0,0,0,1|2,0,0]=4 95 B12R1.511 O=C(O)C1=C(Br)C(Cl)=CC(Cl)=C1 BB12-5104 [0,1,0,0,0,1|1,0,0]=3 96 B12R1.511 O=C(O)C1=C(I)C(Cl)=CC(Cl)=C1 BB17-0679 [0,1,0,0,0,1|1,0,0]=3 97 B12R1.511 O=C(O)C1=C(O)C(Br)=CC(Cl)=C1 BB12-4702 [0,1,0,0,0,1|1,1,0]=4 98 B12R1.511 O=C(O)C1=C(O)C(Cl)=CC(Cl)=C1 BB17-0687 [0,1,0,0,0,1|1,0,0]=3 99 B12R1.68 CC(=O)C1=CC(CCl)=C(CCl)S1 BB54-5469 [0,2,0,0,0,0|1,0,0]=3 100 B12R1.274 CCCC1=C(Br)C=C(C(=O)O)S1 BB05-1237 [0,2,0,0,0,0|1,1,0]=4 101 B12R1.699 CC1=C(C#N)C(N)=C(C(=O)O)S1 BB10-0032 [0,2,0,0,0,0|2,0,0]=4 102 B12R2.252 O=C(O)C1=CC2=C(CCC2)S1 BB12-1787 [0,1,0,1,0,0|2,0,0]=4 103 B10R1.54 CC1=CC=C(CC(=O)O)S1 BB56-0024 [1,0,0,0,0,1|1,0,0]=3 104 B10R1.54 O=C(O)CC1=CC=C(Cl)S1 BB56-1329 [1,0,0,0,0,1|0,0,0]=2 105 B10R1.54 O=C(O)CN1C=C(Cl)C=N1 BB05-1949 [1,0,0,0,0,1|2,0,0]=4