0 B8R0.5 CCC\C(C)=C\C(=O)O BB31-5804 [0,1,0,0,0,0|0,0,2]=3 1 B8R0.8 CCCCC(=O)C(=O)O BB31-4311 [0,1,0,0,0,0|0,0,3]=4 2 B8R0.9 C=CC(=O)NCC(=O)O BB31-4277 [0,1,0,0,0,0|1,0,2]=4 3 B8R1.1 C(=O)C1=CC=C(F)S1 BB05-4502 [0,0,0,1,0,0|2,1,0]=4 4 B8R1.1 NCC1=CC=C(Br)O1 BB95-5747 [0,0,0,1,0,0|2,0,1]=4 5 B8R1.1 O=CC1=CC=C(Br)N1 BB31-7304 [0,0,0,1,0,0|3,0,0]=4 6 B8R1.4 CC1=NC=CC(Br)=N1 BB31-8225 [0,0,0,1,0,0|3,0,0]=4 7 B8R1.4 CC1=NC=CC(F)=C1 BB31-5027 [0,0,0,1,0,0|3,0,0]=4 8 B8R1.4 O=C1N=C(Cl)C=CN1 BB32-4008 [0,0,0,1,0,0|3,0,0]=4 9 B8R1.7 CC(=O)C1=CC=NO1 BB31-6420 [0,0,0,1,0,0|3,0,0]=4 10 B8R1.7 CC(=O)C1=CN=CO1 BB31-9843 [0,0,0,1,0,0|3,0,0]=4 11 B8R1.7 N=C(N)C1=CC=CO1 BB52-5806 [0,0,0,1,0,0|3,0,0]=4 12 B8R1.7 NC(=O)C1=COC=C1 BB32-3212 [0,0,0,1,0,0|2,0,1]=4 13 B8R1.7 NC(=O)C1=NC=CN1 BB31-3274 [0,0,0,1,0,0|3,0,0]=4 14 B8R1.7 NC(=O)C1=NC=CO1 BB31-8539 [0,0,0,1,0,0|3,0,0]=4 15 B8R1.7 NC(=S)C1=CC=CO1 BB31-3461 [0,0,0,1,0,0|2,1,0]=4 16 B8R1.7 O=C(O)C1=CC=NS1 BB54-5260 [0,0,0,1,0,0|2,0,0]=3 17 B8R1.7 O=C(O)C1=CN=CO1 BB52-2257 [0,0,0,1,0,0|2,0,0]=3 18 B8R1.7 O=C(O)C1=NON=C1 BB54-2722 [0,0,0,1,0,0|3,0,0]=4 19 B8R1.7 O=C(O)[C@@H]1C=CCN1 BB31-3955 [0,0,0,1,0,0|1,0,2]=4 20 B8R1.7 O=C(O)[C@@H]1C=CCN1 BB31-5745 [0,0,0,1,0,0|1,0,2]=4 21 B8R1.7 O=C([O-])C1=NC=CO1 BB31-1161 [0,0,0,1,0,0|2,0,1]=4 22 B8R1.7 O=[N+]([O-])C1=CC=CN1 BB31-4901 [0,0,0,1,0,0|2,0,1]=4 23 B5R0.1 O=C(O)\C=C\Br BB31-5400 [2,0,0,0,0,0|1,0,0]=3 24 B7R0.6 CC(=O)\C=C\C(=O)O BB31-4699 [1,1,0,0,0,0|0,0,0]=2 25 B9R0.53 C\C(=C/C(=O)O)CC(=O)O BB32-3146 [0,2,0,0,0,0|1,0,1]=4 26 B9R0.2 C\C=C\C=C\COC(C)=O BB31-2942 [0,2,0,0,0,0|1,0,0]=3 27 B9R0.48 CCOC(=O)\C=C\C(C)=O BB31-0204 [0,2,0,0,0,0|1,0,1]=4 28 B9R0.42 COC(=O)CC(=O)C(=O)O BB31-1911 [0,2,0,0,0,0|1,0,1]=4 29 B7R1.2 O=C1C=CC(O)O1 BB31-2490 [1,0,0,1,0,0|1,0,1]=4 30 B7R1.3 O=C1C=CCCN1 BB32-3139 [1,0,0,1,0,0|1,0,1]=4 31 B7R1.3 O=C1C=COC=C1 BB31-5938 [1,0,0,1,0,0|2,0,0]=4 32 B7R1.18 O=C(O)C1=CCC1 BB32-1171 [1,0,0,1,0,0|0,0,1]=3 33 B7R1.1 O=CC1=CN=CO1 BB31-8199 [1,0,0,1,0,0|2,0,0]=4 34 B7R1.1 O=CC1=NC=CO1 BB31-4873 [1,0,0,1,0,0|2,0,0]=4 35 B7R1.4 CN1C=CNC1=O BB31-4937 [1,0,0,1,0,0|2,0,0]=4 36 B9R1.13 O=C(O)CC1=NC=CS1 BB31-4063 [0,1,0,1,0,0|1,0,1]=4 37 B9R1.13 O=C(O)CC1=NNC=C1 BB31-0343 [0,1,0,1,0,0|1,0,1]=4 38 B9R1.13 O=C(O)CN1C=CC=N1 BB52-7773 [0,1,0,1,0,0|1,0,1]=4 39 B9R1.34 CC1=CC(Br)=CC(=O)O1 BB31-1943 [0,1,0,1,0,0|0,0,0]=2 40 B9R1.34 CC1=CC(Cl)=CC(Cl)=N1 BB52-7420 [0,1,0,1,0,0|2,0,0]=4 41 B9R1.34 CC1=CC(I)=CC(Cl)=C1 BB31-9223 [0,1,0,1,0,0|2,0,0]=4 42 B9R1.34 CC1=CC(I)=CC(F)=N1 BB31-4691 [0,1,0,1,0,0|2,0,0]=4 43 B9R1.34 CC1=CC(N)=CC(=O)O1 BB32-0469 [0,1,0,1,0,0|0,0,0]=2 44 B9R1.34 CC1=CC(O)=CC(=O)N1 BB52-7402 [0,1,0,1,0,0|1,0,0]=3 45 B9R1.34 NC1=CC(=O)NC(Cl)=C1 BB31-0877 [0,1,0,1,0,0|2,0,0]=4 46 B9R1.34 NC1=CC(=O)NC(F)=C1 BB31-9901 [0,1,0,1,0,0|2,0,0]=4 47 B9R1.41 CC(=O)C1=CNC=C1C BB31-4047 [0,1,0,1,0,0|1,0,0]=3 48 B9R1.41 CC1=C(C(=O)O)ON=C1 BB31-4383 [0,1,0,1,0,0|1,0,0]=3 49 B9R1.41 CC1=C(C(=O)O)SN=N1 BB52-0951 [0,1,0,1,0,0|2,0,0]=4 50 B9R1.41 CN1N=CN=C1C(=O)O BB32-3983 [0,1,0,1,0,0|2,0,0]=4 51 B9R1.41 CN1N=NC=C1C(=O)O BB31-6962 [0,1,0,1,0,0|2,0,0]=4 52 B9R1.41 NC(=O)C1=C(Br)C=CS1 BB31-6931 [0,1,0,1,0,0|2,0,0]=4 53 B9R1.41 NC(=O)C1=C(N)SC=C1 BB52-8541 [0,1,0,1,0,0|2,0,0]=4 54 B9R1.41 NC(=O)C1=CC=CN1N BB31-3190 [0,1,0,1,0,0|2,0,0]=4 55 B9R1.41 NC1=C(C(=O)O)C=CS1 BB32-3009 [0,1,0,1,0,0|1,0,0]=3 56 B9R1.41 NC1=C(C(=O)O)C=NN1 BB52-3969 [0,1,0,1,0,0|2,0,0]=4 57 B9R1.41 O=C(O)C1=C(Br)C=CN1 BB31-2563 [0,1,0,1,0,0|1,0,0]=3 58 B9R1.41 O=C(O)C1=C(Br)OC=C1 BB31-3871 [0,1,0,1,0,0|1,0,0]=3 59 B9R1.41 O=C(O)C1=CNN=C1Cl BB31-9773 [0,1,0,1,0,0|2,0,0]=4 60 B9R1.1 CCC1=NN=C(O)C=C1 BB32-2906 [0,1,0,1,0,0|1,0,1]=4 61 B9R1.2 C#CC1=NC(C)=CC=C1 BB31-4597 [0,1,0,1,0,0|2,0,0]=4 62 B9R1.2 CC1=CC(CO)=NC=C1 BB32-1316 [0,1,0,1,0,0|2,0,0]=4 63 B9R1.2 CC1=CC=CC(CN)=N1 BB31-6651 [0,1,0,1,0,0|2,0,0]=4 64 B9R1.2 CC1=CN=CC(C=O)=N1 BB31-0483 [0,1,0,1,0,0|2,0,0]=4 65 B9R1.2 CC1=NC=CC(CO)=N1 BB31-8755 [0,1,0,1,0,0|2,0,0]=4 66 B9R1.2 CNC1=CC=CC(F)=N1 BB32-1917 [0,1,0,1,0,0|2,0,0]=4 67 B9R1.2 CNC1=CC=CC(I)=C1 BB32-3582 [0,1,0,1,0,0|2,0,0]=4 68 B9R1.2 CNC1=CC=CC(O)=C1 BB31-2612 [0,1,0,1,0,0|1,0,0]=3 69 B9R1.2 COC1=CC(=O)NC=C1 BB32-2174 [0,1,0,1,0,0|2,0,0]=4 70 B9R1.2 COC1=NC(C)=CN=C1 BB31-4511 [0,1,0,1,0,0|2,0,0]=4 71 B9R1.2 NCC1=CC=CC(Cl)=N1 BB31-2965 [0,1,0,1,0,0|2,0,0]=4 72 B9R1.2 NCC1=CC=CC(Cl)=N1 BB32-0593 [0,1,0,1,0,0|2,0,0]=4 73 B9R1.2 NCC1=CC=CC(F)=N1 BB31-1286 [0,1,0,1,0,0|2,0,0]=4 74 B9R1.2 NCC1=CC=CC(N)=N1 BB31-3343 [0,1,0,1,0,0|2,0,0]=4 75 B9R1.2 O=CC1=CC=CC(=O)N1 BB32-1723 [0,1,0,1,0,0|1,0,1]=4 76 B9R1.2 O=CC1=CN=CC(O)=C1 BB31-6018 [0,1,0,1,0,0|2,0,0]=4 77 B9R1.3 CC1=C(O)C(Br)=NC=C1 BB31-0863 [0,1,0,1,0,0|2,0,0]=4 78 B9R1.3 CC1=CC=CC(I)=C1Cl BB31-0462 [0,1,0,1,0,0|2,0,0]=4 79 B9R1.3 CN1C=CC=C(N)C1=O BB32-1576 [0,1,0,1,0,0|2,0,0]=4 80 B9R1.3 CN1C=CC=C(O)C1=O BB31-7773 [0,1,0,1,0,0|1,0,0]=3 81 B9R1.3 OC1=C(I)C=CC=C1Br BB31-3795 [0,1,0,1,0,0|2,0,0]=4 82 B9R1.3 OC1=CC=CC(I)=C1Br BB31-6599 [0,1,0,1,0,0|2,0,0]=4 83 B9R1.3 OC1=CC=CC(O)=C1F BB31-8000 [0,1,0,1,0,0|2,0,0]=4 84 B9R1.11 COC(=O)C1=NC=CO1 BB32-1812 [0,1,0,1,0,0|2,0,0]=4 85 B9R1.11 COC(=O)C1=NOC=C1 BB32-1155 [0,1,0,1,0,0|2,0,0]=4 86 B9R1.11 O=CC(=O)C1=CC=CO1 BB31-8251 [0,1,0,1,0,0|1,0,1]=4 87 B9R1.21 N#CC1=CC=C(C=O)O1 BB32-1495 [0,1,0,1,0,0|1,0,1]=4 88 B9R1.21 O=CC1=CC=C(C=O)N1 BB32-1975 [0,1,0,1,0,0|2,0,0]=4 89 B9R1.6 CC(=O)C1=NC=NC=C1 BB32-1309 [0,1,0,1,0,0|2,0,0]=4 90 B9R1.6 CC(=O)C1=NN=CC=C1 BB31-8246 [0,1,0,1,0,0|2,0,0]=4 91 B9R1.6 O=C(O)C1=CSCCO1 BB51-1597 [0,1,0,1,0,0|1,0,1]=4 92 B9R1.35 CC(=O)C1=CC=C(Br)O1 BB32-1375 [0,1,0,1,0,0|1,0,0]=3 93 B9R1.35 CC(=O)C1=CN=C(C)S1 BB32-2648 [0,1,0,1,0,0|2,0,0]=4 94 B9R1.35 CC(=O)C1=CNC(C)=C1 BB32-3505 [0,1,0,1,0,0|2,0,0]=4 95 B9R1.35 CC1=CC=C([N+](=O)[O-])O1 BB17-0710 [0,1,0,1,0,0|1,0,1]=4 96 B9R1.35 CC1=CNC(C(=O)O)=C1 BB31-4952 [0,1,0,1,0,0|1,0,0]=3 97 B9R1.35 CC1=NC(C(=O)O)=CO1 BB52-2189 [0,1,0,1,0,0|1,0,0]=3 98 B9R1.35 CC1=NC(C(=O)O)=NO1 BB31-5081 [0,1,0,1,0,0|2,0,0]=4 99 B9R1.35 CC1=NC(C(N)=O)=CS1 BB32-1502 [0,1,0,1,0,0|2,0,0]=4 100 B9R1.35 CC1=NC=C(C(=O)O)O1 BB31-2190 [0,1,0,1,0,0|1,0,0]=3 101 B9R1.35 NC(=O)C1=CC=C(Cl)S1 BB31-7647 [0,1,0,1,0,0|2,0,0]=4 102 B9R1.35 O=C(O)C1=CC(Br)=CN1 BB52-8147 [0,1,0,1,0,0|1,0,0]=3 103 B9R1.35 O=C(O)C1=CC(O)=NO1 BB52-3965 [0,1,0,1,0,0|2,0,0]=4 104 B9R1.35 O=C(O)C1=CC=C(F)S1 BB31-4908 [0,1,0,1,0,0|1,0,0]=3 105 B9R1.35 O=C(O)C1=CN=C(Cl)O1 BB31-2956 [0,1,0,1,0,0|2,0,0]=4 106 B9R1.35 O=C(O)C1=COC(Br)=N1 BB31-0470 [0,1,0,1,0,0|2,0,0]=4 107 B9R1.35 O=C(O)C1=NC=C(Br)N1 BB31-1468 [0,1,0,1,0,0|2,0,0]=4 108 B9R1.35 O=C1C=C(C(=O)O)NN1 BB52-5683 [0,1,0,1,0,0|2,0,0]=4 109 B9R1.69 CC1=C(Br)C=CC(Cl)=C1 BB12-5186 [0,1,0,1,0,0|2,0,0]=4 110 B9R1.69 CC1=C(Br)C=CC(I)=N1 BB31-0131 [0,1,0,1,0,0|2,0,0]=4 111 B9R1.69 CC1=C(C)N=C(Cl)C=C1 BB31-7005 [0,1,0,1,0,0|2,0,0]=4 112 B9R1.69 CC1=C(Cl)C=CC(N)=N1 BB52-4218 [0,1,0,1,0,0|2,0,0]=4 113 B9R1.69 CC1=C(Cl)C=CC(O)=N1 BB31-8303 [0,1,0,1,0,0|1,0,0]=3 114 B9R1.69 CC1=C(I)C=CC(Cl)=C1 BB12-5187 [0,1,0,1,0,0|2,0,0]=4 115 B9R1.69 CC1=C(N)C=CC(N)=N1 BB31-7123 [0,1,0,1,0,0|2,0,0]=4 116 B9R1.69 CC1=C(O)C=C(I)C=C1 BB32-0594 [0,1,0,1,0,0|2,0,0]=4 117 B9R1.69 CC1=C(O)C=CC(I)=N1 BB31-8589 [0,1,0,1,0,0|2,0,0]=4 118 B9R1.69 CC1=CC(O)=C(Br)C=N1 BB31-1304 [0,1,0,1,0,0|2,0,0]=4 119 B9R1.69 CC1=CC=C(C)C(Cl)=N1 BB32-3743 [0,1,0,1,0,0|2,0,0]=4 120 B9R1.69 CC1=CC=C(N)C(I)=N1 BB32-0185 [0,1,0,1,0,0|2,0,0]=4 121 B9R1.69 CC1=CC=C(O)C(Cl)=N1 BB32-1593 [0,1,0,1,0,0|2,0,0]=4 122 B9R1.69 CC1=CN=C(F)C(O)=C1 BB31-8941 [0,1,0,1,0,0|2,0,0]=4 123 B9R1.69 CC1=NC(N)=CC=C1I BB52-4865 [0,1,0,1,0,0|2,0,0]=4 124 B9R1.69 CN1C=CC(=O)C(O)=C1 BB32-2601 [0,1,0,1,0,0|2,0,0]=4 125 B9R1.69 NC1=C(N)C=C(O)C=C1 BB32-3404 [0,1,0,1,0,0|2,0,0]=4 126 B9R1.69 NC1=C(O)C=C(I)C=C1 BB31-6317 [0,1,0,1,0,0|2,0,0]=4 127 B9R1.69 O=C1C=CC(Br)=C(F)N1 BB31-0878 [0,1,0,1,0,0|2,0,0]=4 128 B9R1.69 O=C1NC(Cl)=CC=C1F BB31-2050 [0,1,0,1,0,0|2,0,0]=4 129 B9R1.69 OC1=CC(Br)=C(I)C=C1 BB31-5276 [0,1,0,1,0,0|2,0,0]=4 130 B9R1.69 OC1=CC(S)=C(O)C=C1 BB31-4519 [0,1,0,1,0,0|2,0,0]=4 131 B9R1.69 OC1=NC(F)=C(I)C=C1 BB31-8526 [0,1,0,1,0,0|2,0,0]=4