0 B7R0.6 CC(C)NCC(=O)O AC-84846 [0,1,0,0,0,0|1,0,1]=3 1 B7R1.2 CC1=CC=C(Br)O1 AC-81494 [0,0,0,1,0,0|2,0,1]=4 2 B7R1.2 CC1=CC=C(Br)S1 AC-13561 [0,0,0,1,0,0|2,0,1]=4 3 B7R1.2 CC1=CSC(=O)N1 AC-93701 [0,0,0,1,0,0|2,0,1]=4 4 B7R1.2 CC1=NN(C)C=C1 AC-28547 [0,0,0,1,0,0|3,0,0]=4 5 B7R1.2 CC1=NNC(=O)C1 AC-31598 [0,0,0,1,0,0|2,0,1]=4 6 B7R1.2 CC1CNC(=O)C1 AC-86644 [0,0,0,1,0,0|1,0,1]=3 7 B7R1.2 CN1C=CC(=O)N1 AC-82045 [0,0,0,1,0,0|2,0,0]=3 8 B7R1.2 CN1C=CC(Br)=N1 AC-40821 [0,0,0,1,0,0|3,0,0]=4 9 B7R1.2 CN1C=CC(N)=C1 AC-80610 [0,0,0,1,0,0|2,0,1]=4 10 B7R1.2 CN1C=CC(N)=C1 AC-81457 [0,0,0,1,0,0|2,0,1]=4 11 B7R1.2 CN1C=CC(N)=N1 AC-22735 [0,0,0,1,0,0|3,0,0]=4 12 B7R1.2 CN1CCC(=O)C1 AC-31742 [0,0,0,1,0,0|1,0,2]=4 13 B7R1.2 NC1CCC(=O)C1 AC-82061 [0,0,0,1,0,0|1,0,2]=4 14 B7R1.2 NC1CCC(=O)C1 AC-84406 [0,0,0,1,0,0|1,0,2]=4 15 B7R1.2 NC1CNC(=O)C1 AC-91662 [0,0,0,1,0,0|2,0,1]=4 16 B7R1.2 NC1CNC(=O)C1 AC-92213 [0,0,0,1,0,0|2,0,1]=4 17 B7R1.2 O=C1C=CC(Br)O1 AC-95636 [0,0,0,1,0,0|2,0,0]=3 18 B7R1.2 O=C1CC(O)CN1 AC-45367 [0,0,0,1,0,0|2,0,1]=4 19 B7R1.2 O=C1C[C@H](O)CN1 AC-16846 [0,0,0,1,0,0|2,0,1]=4 20 B7R1.3 CC1=NN=CC=C1 AC-61133 [0,0,0,1,0,0|2,0,1]=4 21 B6R0.2 C[C@@H](O)CC(=O)O AC-81110 [1,1,0,0,0,0|1,0,1]=4 22 B6R0.2 C[C@@H](O)CC(=O)[O-] AC-77270 [1,1,0,0,0,0|1,0,1]=4 23 B6R0.2 C[C@H](N)CC(=O)O AC-77208 [1,1,0,0,0,0|1,0,1]=4 24 B8R0.23 CC(C)CC(Br)C(=O)O AC-77294 [0,2,0,0,0,0|0,0,2]=4 25 B8R0.23 CC(C)CC(N)C(=O)O AC-10289 [0,2,0,0,0,0|0,0,2]=4 26 B8R0.23 CC(C)CC(O)C(=O)O AC-83999 [0,2,0,0,0,0|0,0,2]=4 27 B8R0.23 CC(C)C[C@@H](N)C(=O)O AC-16501 [0,2,0,0,0,0|0,0,2]=4 28 B8R0.23 CC(C)[C@@H](N)CC(=O)O AC-81175 [0,2,0,0,0,0|0,0,2]=4 29 B8R0.28 CN(C)C\C=C\C(=O)O AC-71519 [0,2,0,0,0,0|1,0,0]=3 30 B8R0.28 CN(C)C\C=C\C(=O)O AC-77445 [0,2,0,0,0,0|1,0,0]=3 31 B8R0.29 CC(C)(C)NCC(=O)O AC-63194 [0,2,0,0,0,0|1,0,1]=4 32 B8R0.29 CC(C)(N)CNC(N)=O AC-83164 [0,2,0,0,0,0|1,0,1]=4 33 B6R1.2 CC1=CC=CN1 AC-76876 [1,0,0,1,0,0|1,0,1]=4 34 B6R1.2 CC1=CC=CS1 AC-13544 [1,0,0,1,0,0|1,0,1]=4 35 B6R1.2 CC1CC=NN1 AC-87752 [1,0,0,1,0,0|2,0,0]=4 36 B6R1.2 CN1C=CC=N1 AC-40913 [1,0,0,1,0,0|2,0,0]=4 37 B6R1.2 NC1CC=CC1 AC-79830 [1,0,0,1,0,0|1,0,1]=4 38 B8R1.1 CC1=CSC(C=O)=N1 AC-31848 [0,1,0,1,0,0|1,0,1]=4 39 B8R1.1 CC1=NC(C=O)=CN1 AC-31004 [0,1,0,1,0,0|1,0,1]=4 40 B8R1.1 CC1=NC(C=O)=CO1 AC-31285 [0,1,0,1,0,0|1,0,1]=4 41 B8R1.1 CC1=NC(C=O)=CS1 AC-31847 [0,1,0,1,0,0|1,0,1]=4 42 B8R1.1 CC1=NC=C(C=O)S1 AC-31845 [0,1,0,1,0,0|1,0,1]=4 43 B8R1.1 CN1C=C(C=O)C=N1 AC-31588 [0,1,0,1,0,0|1,0,1]=4 44 B8R1.1 CN1C=CC(C=O)=N1 AC-40897 [0,1,0,1,0,0|2,0,0]=4 45 B8R1.1 CN1C=NC(C=O)=C1 AC-31005 [0,1,0,1,0,0|1,0,1]=4 46 B8R1.4 CC1=NC=CC(=O)N1 AC-31714 [0,1,0,1,0,0|1,0,1]=4 47 B8R1.4 CC1CC(=O)CCO1 AC-40753 [0,1,0,1,0,0|0,0,2]=4 48 B8R1.4 CC1CCOC(=O)C1 AC-96315 [0,1,0,1,0,0|0,0,2]=4 49 B8R1.18 CC1=CC(=O)OC1O AC-14034 [0,1,0,1,0,0|2,0,0]=4 50 B8R1.18 C[C@H]1NC(=O)OC1=O AC-77009 [0,1,0,1,0,0|2,0,0]=4 51 B8R1.18 NC1CC(=O)OC1=O AC-81610 [0,1,0,1,0,0|2,0,0]=4 52 B8R1.18 NC1CC(=O)OC1=O AC-89262 [0,1,0,1,0,0|2,0,0]=4 53 B8R1.51 CC1(C)CCC(=O)N1 AC-44987 [0,1,0,1,0,0|0,0,2]=4 54 B8R1.51 CC1(C)CCC(=O)O1 AC-83139 [0,1,0,1,0,0|0,0,2]=4 55 B8R1.51 O=S1(=O)C=CC(O)C1 AC-58869 [0,1,0,1,0,0|2,0,0]=4 56 B8R1.2 OCC1CC=CCC1 AC-88431 [0,1,0,1,0,0|1,0,1]=4 57 B8R1.3 CC1=CNC(=O)C=C1 AC-17066 [0,1,0,1,0,0|0,0,2]=4 58 B8R1.3 CC1=NNC(=O)C=C1 AC-31618 [0,1,0,1,0,0|1,0,1]=4 59 B8R1.50 CN1C(=O)C=CC1=O AC-83721 [0,1,0,1,0,0|1,0,1]=4 60 B8R1.7 CC(C)C1=CC=CO1 AC-65204 [0,1,0,1,0,0|0,0,1]=3 61 B8R1.7 CC(C)C1=CN=CS1 AC-92021 [0,1,0,1,0,0|0,1,0]=3 62 B8R1.7 CC(C)N1C=CN=C1 AC-30040 [0,1,0,1,0,0|2,0,0]=4 63 B8R1.7 CC(N)C1=CC=CS1 AC-41497 [0,1,0,1,0,0|1,1,0]=4 64 B8R1.7 CC(N)C1=CSC=C1 AC-58087 [0,1,0,1,0,0|1,1,0]=4 65 B8R1.7 CC(N)C1=CSC=N1 AC-86636 [0,1,0,1,0,0|2,0,0]=4 66 B8R1.7 CC(N)C1=NC=CS1 AC-46197 [0,1,0,1,0,0|1,1,0]=4 67 B8R1.7 CC(N)C1=NNC=C1 AC-75613 [0,1,0,1,0,0|2,0,0]=4 68 B8R1.7 CC(O)C1=CC=CS1 AC-42316 [0,1,0,1,0,0|1,1,0]=4 69 B8R1.7 CC(O)C1=CSC=C1 AC-75785 [0,1,0,1,0,0|1,1,0]=4 70 B8R1.19 CC1(C)CCCC1=O AC-92916 [0,1,0,1,0,0|0,0,2]=4 71 B8R1.19 CC1(C)CCNC1=O AC-76535 [0,1,0,1,0,0|0,0,2]=4 72 B8R1.35 O=C(O)CCC1CC1 AC-45156 [0,1,0,1,0,0|0,0,2]=4 73 B8R1.35 O=C(O)CNC1CC1 AC-94098 [0,1,0,1,0,0|1,0,1]=4 74 B8R1.35 OB(O)\C=C\C1CC1 AC-84281 [0,1,0,1,0,0|1,0,1]=4 75 B8R1.23 CC1CC(C(=O)O)C1 AC-41624 [0,1,0,1,0,0|0,0,2]=4 76 B8R1.77 CC1(C)CC1C(=O)O AC-93733 [0,1,0,1,0,0|0,0,2]=4 77 B8R1.77 CC1(C)C[C@@H]1C(=O)O AC-77496 [0,1,0,1,0,0|0,0,2]=4