0 B7R0.4 CCOCCC(=O)O BB57-3742 [0,0,0,0,0,0|1,0,3]=4 1 B7R0.4 CNCCCC(=O)O BB58-0143 [0,0,0,0,0,0|1,0,3]=4 2 B6R0.4 CCNCC(=O)O BB20-0183 [1,0,0,0,0,0|1,0,2]=4 3 B6R0.4 O=CNCC(=O)O BB01-7318 [1,0,0,0,0,0|2,0,1]=4 4 B8R0.8 CCCNC(=O)C(=O)O BB55-4706 [0,1,0,0,0,0|1,0,2]=4 5 B8R0.28 NC(=O)N\N=C\C(=O)O BB01-6284 [0,1,0,0,0,0|3,0,0]=4 6 B8R1.1 CC1=CC=C(C=O)S1 BB17-2278 [0,0,0,1,0,0|2,1,0]=4 7 B8R1.1 CC1=CC=C(CN)O1 BB55-3608 [0,0,0,1,0,0|2,0,1]=4 8 B8R1.1 O=CC1=CC=C(Br)O1 BB55-3487 [0,0,0,1,0,0|2,0,0]=3 9 B8R1.1 O=CC1=CC=C(Br)S1 BB01-8320 [0,0,0,1,0,0|2,1,0]=4 10 B8R1.1 O=CC1=CC=C(Cl)S1 BB17-2277 [0,0,0,1,0,0|2,1,0]=4 11 B8R1.1 O=CC1=CC=C(I)O1 BB17-1381 [0,0,0,1,0,0|2,0,0]=3 12 B8R1.4 BrC1=CC=CC(Br)=N1 BB01-8146 [0,0,0,1,0,0|3,0,0]=4 13 B8R1.4 CC1=CC(Cl)=NC=C1 BB01-8316 [0,0,0,1,0,0|3,0,0]=4 14 B8R1.4 CC1=CC(N)=NC=C1 BB01-6250 [0,0,0,1,0,0|3,0,0]=4 15 B8R1.4 CC1=CC=CC(Br)=N1 BB01-7946 [0,0,0,1,0,0|2,0,0]=3 16 B8R1.4 CC1=CC=CC(Cl)=N1 BB57-0227 [0,0,0,1,0,0|2,0,0]=3 17 B8R1.4 CC1=CC=CC(I)=C1 BB17-2143 [0,0,0,1,0,0|2,0,0]=3 18 B8R1.4 CC1=CC=CC(N)=N1 BB01-6006 [0,0,0,1,0,0|2,0,0]=3 19 B8R1.4 CC1=CC=NC(Cl)=N1 BB17-0192 [0,0,0,1,0,0|3,0,0]=4 20 B8R1.4 CC1=CN=CC(C)=C1 BB01-7954 [0,0,0,1,0,0|3,0,0]=4 21 B8R1.4 CC1=NC(N)=NC=C1 BB01-6004 [0,0,0,1,0,0|3,0,0]=4 22 B8R1.4 CC1=NC=CC(Cl)=C1 BB01-7924 [0,0,0,1,0,0|3,0,0]=4 23 B8R1.4 CC1=NC=NC(O)=C1 BB55-8109 [0,0,0,1,0,0|3,0,0]=4 24 B8R1.4 C[N+]1=CC(O)=CC=C1 BB57-3006 [0,0,0,1,0,0|2,0,0]=3 25 B8R1.4 NC1=CC=CC(N)=N1 BB01-7932 [0,0,0,1,0,0|3,0,0]=4 26 B8R1.4 NC1=NC(=O)NC=C1 BB20-1420 [0,0,0,1,0,0|3,0,0]=4 27 B8R1.4 OC1=CC(O)=NC=C1 BB01-8275 [0,0,0,1,0,0|3,0,0]=4 28 B8R1.7 CC(=O)C1=CSC=C1 BB57-0215 [0,0,0,1,0,0|2,0,1]=4 29 B8R1.7 NC(=O)C1=CC=CS1 BB01-2734 [0,0,0,1,0,0|2,0,0]=3 30 B8R1.7 O=C(O)C1=CNC=N1 BB57-6654 [0,0,0,1,0,0|2,0,0]=3 31 B8R1.7 O=C(O)C1=COC=C1 BB57-0214 [0,0,0,1,0,0|1,0,1]=3 32 B8R1.7 O=C(O)C1=CSC=C1 BB53-1742 [0,0,0,1,0,0|1,0,1]=3 33 B8R1.7 O=C(O)C1=CSC=N1 BB01-8351 [0,0,0,1,0,0|2,0,0]=3 34 B8R1.7 O=C(O)C1=CSN=N1 BB58-0324 [0,0,0,1,0,0|3,0,0]=4 35 B8R1.7 O=C(O)C1=NNC=C1 BB53-1765 [0,0,0,1,0,0|2,0,0]=3 36 B8R1.7 O=C(O)C1CC=CC1 BB01-7889 [0,0,0,1,0,0|0,0,2]=3 37 B8R1.7 O=[N+]([O-])C1=CC=CS1 BB17-0786 [0,0,0,1,0,0|2,0,1]=4 38 B8R1.7 OB(O)C1=CC=CS1 BB01-0981 [0,0,0,1,0,0|2,0,1]=4 39 B7R0.6 CC(=O)NCC(=O)O BB01-2573 [1,1,0,0,0,0|1,0,1]=4 40 B7R1.3 ClC1=NC=CC=C1 BB01-6197 [1,0,0,1,0,0|2,0,0]=4 41 B7R1.3 OC1=CC=CN=C1 BB17-1816 [1,0,0,1,0,0|2,0,0]=4 42 B7R1.1 O=CC1=CSC=C1 BB01-6172 [1,0,0,1,0,0|1,0,1]=4 43 B9R1.7 CC1=CC=C(\C=N/O)O1 BB58-5150 [0,1,0,1,0,0|2,0,0]=4 44 B9R1.13 O=C(O)CC1=CC=CS1 BB01-6099 [0,1,0,1,0,0|1,0,0]=3 45 B9R1.13 O=C(O)CC1=CSC=C1 BB01-0976 [0,1,0,1,0,0|0,0,2]=4 46 B9R1.13 O=C(O)CN1C=CC=N1 BB05-3145 [0,1,0,1,0,0|1,0,1]=4 47 B9R1.34 CC1=CC(O)=CC(=O)O1 BB01-6220 [0,1,0,1,0,0|0,0,0]=2 48 B9R1.34 CC1=CC(O)=NC(O)=N1 BB57-3842 [0,1,0,1,0,0|2,0,0]=4 49 B9R1.34 CC1=NC(N)=CC(=O)N1 BB52-2896 [0,1,0,1,0,0|2,0,0]=4 50 B9R1.34 CC1=NC(O)=CC(O)=N1 BB55-7890 [0,1,0,1,0,0|2,0,0]=4 51 B9R1.34 OC1=CC(Cl)=CC(Cl)=C1 BB17-2826 [0,1,0,1,0,0|2,0,0]=4 52 B9R1.41 CC1=C(C(=O)O)C=CO1 BB57-4813 [0,1,0,1,0,0|0,0,0]=2 53 B9R1.41 CC1=C(C(=O)O)C=NO1 BB55-3624 [0,1,0,1,0,0|1,0,0]=3 54 B9R1.41 CC1=C(C(=O)O)OC=N1 BB01-8336 [0,1,0,1,0,0|1,0,0]=3 55 B9R1.41 CC1=C(C(=O)O)SC=C1 BB01-0916 [0,1,0,1,0,0|0,0,0]=2 56 B9R1.41 CC1=NNC=C1C(=O)O BB01-5991 [0,1,0,1,0,0|1,0,0]=3 57 B9R1.41 CN1C=CC=C1C(=O)O BB01-1072 [0,1,0,1,0,0|0,0,0]=2 58 B9R1.41 CN1C=CN=C1C(=O)O BB57-7197 [0,1,0,1,0,0|1,0,0]=3 59 B9R1.41 CN1C=NC=C1C(=O)O BB55-8119 [0,1,0,1,0,0|1,0,0]=3 60 B9R1.41 CN1N=CC=C1C(=O)O BB01-4745 [0,1,0,1,0,0|1,0,0]=3 61 B9R1.41 CN1N=CC=C1C(=O)O BB05-0013 [0,1,0,1,0,0|1,0,0]=3 62 B9R1.41 NC1=C(C(=O)[O-])SC=C1 BB58-0066 [0,1,0,1,0,0|1,0,1]=4 63 B9R1.2 CC1=CC=CC(C=O)=N1 BB17-1884 [0,1,0,1,0,0|1,0,0]=3 64 B9R1.2 CC1=CC=CC(CN)=C1 BB57-0207 [0,1,0,1,0,0|2,0,0]=4 65 B9R1.2 CC1=CC=CC(NN)=C1 BB01-7859 [0,1,0,1,0,0|2,0,0]=4 66 B9R1.2 CCC1=CC(O)=CC=C1 BB58-0142 [0,1,0,1,0,0|1,0,0]=3 67 B9R1.2 CNC1=CC(Br)=CC=C1 BB01-3264 [0,1,0,1,0,0|2,0,0]=4 68 B9R1.2 CNC1=CC(Cl)=CC=C1 BB01-5244 [0,1,0,1,0,0|2,0,0]=4 69 B9R1.2 COC1=CC(S)=CC=C1 BB01-6053 [0,1,0,1,0,0|1,1,0]=4 70 B9R1.2 CSC1=CC=CC(N)=C1 BB17-2811 [0,1,0,1,0,0|2,0,0]=4 71 B9R1.2 ClCC1=NC(Cl)=CC=C1 BB58-5321 [0,1,0,1,0,0|2,0,0]=4 72 B9R1.2 N#CC1=CC=CC(O)=N1 BB31-6352 [0,1,0,1,0,0|1,0,1]=4 73 B9R1.2 NCC1=CC=CC(F)=C1 BB57-0299 [0,1,0,1,0,0|2,0,0]=4 74 B9R1.2 O=CC1=CC(Cl)=CC=C1 BB01-6045 [0,1,0,1,0,0|2,0,0]=4 75 B9R1.2 O=CC1=CC(F)=CC=C1 BB01-6048 [0,1,0,1,0,0|2,0,0]=4 76 B9R1.2 O=CC1=CC(I)=CC=C1 BB17-1813 [0,1,0,1,0,0|2,0,0]=4 77 B9R1.3 CC1=CC=CC(C)=C1O BB17-2768 [0,1,0,1,0,0|1,0,0]=3 78 B9R1.3 CN1C=CC=C(Br)C1=O BB31-5220 [0,1,0,1,0,0|2,0,0]=4 79 B9R1.3 OC1=C(F)C=CC=C1F BB01-8367 [0,1,0,1,0,0|2,0,0]=4 80 B9R1.11 CCC(=O)C1=CC=CS1 BB01-4952 [0,1,0,1,0,0|2,0,0]=4 81 B9R1.11 CNC(=O)C1=CC=CN1 BB20-0004 [0,1,0,1,0,0|2,0,0]=4 82 B9R1.11 COC(=O)C1=CC=NN1 BB05-1598 [0,1,0,1,0,0|2,0,0]=4 83 B9R1.11 NNC(=O)C1=CC=CS1 BB01-3610 [0,1,0,1,0,0|2,0,0]=4 84 B9R1.11 O=C(CBr)C1=CC=CO1 BB01-4998 [0,1,0,1,0,0|2,0,0]=4 85 B9R1.11 O=C(CBr)C1=CC=CS1 BB20-0496 [0,1,0,1,0,0|2,0,0]=4 86 B9R1.21 CCC1=CC=C(C=O)O1 BB01-6282 [0,1,0,1,0,0|0,0,1]=3 87 B9R1.21 CCC1=CC=C(C=O)S1 BB05-0497 [0,1,0,1,0,0|0,1,1]=4 88 B9R1.6 CC(=O)C1=NC=CN=C1 BB01-0984 [0,1,0,1,0,0|2,0,0]=4 89 B9R1.6 NC(=O)C1=CC=CC=C1 BB01-2129 [0,1,0,1,0,0|1,0,1]=4 90 B9R1.6 NC(=O)C1=CC=CC=N1 BB01-5863 [0,1,0,1,0,0|1,0,1]=4 91 B9R1.6 O=C(O)C1=CN=CN=C1 BB01-7914 [0,1,0,1,0,0|1,0,1]=4 92 B9R1.6 O=C(O)C1=NC=CN=C1 BB01-7797 [0,1,0,1,0,0|1,0,0]=3 93 B9R1.35 CC(=O)C1=CC=C(Br)S1 BB01-7781 [0,1,0,1,0,0|1,1,0]=4 94 B9R1.35 CC(=O)C1=CC=C(C)O1 BB55-2250 [0,1,0,1,0,0|1,0,0]=3 95 B9R1.35 CC(=O)C1=CC=C(C)S1 BB17-2349 [0,1,0,1,0,0|1,0,0]=3 96 B9R1.35 CC(=O)C1=CC=C(Cl)S1 BB17-2354 [0,1,0,1,0,0|1,1,0]=4 97 B9R1.35 CC1=CC(C(=O)O)=NN1 BB01-2577 [0,1,0,1,0,0|2,0,0]=4 98 B9R1.35 CC1=CC(C(=O)O)=NO1 BB01-4962 [0,1,0,1,0,0|2,0,0]=4 99 B9R1.35 CC1=CC(C(=O)O)=NO1 BB05-1141 [0,1,0,1,0,0|2,0,0]=4 100 B9R1.35 CC1=CC=C(B(O)O)O1 BB01-7929 [0,1,0,1,0,0|1,0,1]=4 101 B9R1.35 CC1=CC=C(B(O)O)S1 BB01-7933 [0,1,0,1,0,0|1,0,1]=4 102 B9R1.35 CC1=CC=C(C(=O)Cl)O1 BB58-1944 [0,1,0,1,0,0|1,0,0]=3 103 B9R1.35 CC1=CC=C(C(=O)Cl)S1 BB20-1586 [0,1,0,1,0,0|1,0,0]=3 104 B9R1.35 CC1=CC=C(C(=O)O)O1 BB58-0337 [0,1,0,1,0,0|0,0,0]=2 105 B9R1.35 CC1=CC=C(C(=O)O)S1 BB55-0510 [0,1,0,1,0,0|0,0,0]=2 106 B9R1.35 CC1=NNC(C(=O)O)=C1 BB01-2833 [0,1,0,1,0,0|2,0,0]=4 107 B9R1.35 CN1C=C(C(=O)O)C=N1 BB05-0076 [0,1,0,1,0,0|2,0,0]=4 108 B9R1.35 CN1C=CC(C(=O)O)=N1 BB05-0012 [0,1,0,1,0,0|1,0,0]=3 109 B9R1.35 O=C(Cl)C1=CC=C(Cl)S1 BB55-5570 [0,1,0,1,0,0|2,0,0]=4 110 B9R1.35 O=C(O)C1=CC=C(Br)S1 BB55-0508 [0,1,0,1,0,0|1,0,0]=3 111 B9R1.35 O=C(O)C1=CC=C(Cl)S1 BB55-0509 [0,1,0,1,0,0|1,0,0]=3 112 B9R1.69 CC1=C(Br)C=CC(N)=N1 BB17-0338 [0,1,0,1,0,0|2,0,0]=4 113 B9R1.69 CC1=C(Cl)C=CC(N)=C1 BB17-1101 [0,1,0,1,0,0|2,0,0]=4 114 B9R1.69 CC1=C(F)C=CC(N)=C1 BB01-7839 [0,1,0,1,0,0|2,0,0]=4 115 B9R1.69 CC1=C(N)C=CC(Br)=C1 BB17-2504 [0,1,0,1,0,0|2,0,0]=4 116 B9R1.69 CC1=C(N)C=CC(I)=C1 BB17-0312 [0,1,0,1,0,0|2,0,0]=4 117 B9R1.69 CC1=C(O)C=C(O)C=C1 BB57-4886 [0,1,0,1,0,0|2,0,0]=4 118 B9R1.69 CC1=CC(F)=C(N)C=C1 BB01-7840 [0,1,0,1,0,0|2,0,0]=4 119 B9R1.69 CC1=CC(N)=C(C)C=C1 BB01-5903 [0,1,0,1,0,0|2,0,0]=4 120 B9R1.69 CC1=CC(N)=C(F)C=C1 BB01-8289 [0,1,0,1,0,0|2,0,0]=4 121 B9R1.69 CC1=CC(N)=C(O)C=C1 BB17-0775 [0,1,0,1,0,0|2,0,0]=4 122 B9R1.69 CC1=CC=C(C)C(C)=N1 BB01-6542 [0,1,0,1,0,0|2,0,0]=4 123 B9R1.69 CC1=CC=C(Cl)C(N)=C1 BB57-3969 [0,1,0,1,0,0|2,0,0]=4 124 B9R1.69 CC1=NC(F)=C(I)C=C1 BB31-6478 [0,1,0,1,0,0|2,0,0]=4 125 B9R1.69 CN1N=C(O)C=CC1=O BB58-0063 [0,1,0,1,0,0|2,0,0]=4