0 B8R0.23 CC(C)CC(Br)C(=O)O AC-77294 [0,0,0,0,0,0|2,0,1]=3 1 B8R0.23 CC(C)CC(N)C(=O)O AC-10289 [0,0,0,0,0,0|2,0,1]=3 2 B8R0.23 CC(C)CC(O)C(=O)O AC-83999 [0,0,0,0,0,0|1,0,2]=3 3 B8R0.23 CC(C)C[C@@H](N)C(=O)O AC-16501 [0,0,0,0,0,0|2,0,1]=3 4 B7R0.2 COC(=O)C[C@@H](C)O AC-45412 [1,0,0,0,0,0|2,0,0]=3 5 B7R0.2 COC(=O)C[C@H](C)N AC-85773 [1,0,0,0,0,0|2,0,0]=3 6 B7R0.5 CCC[C@H](N)C(=O)O AC-15512 [1,0,0,0,0,0|2,0,1]=4 7 B7R0.5 CCOC(=O)[C@@H](C)N AC-76925 [1,0,0,0,0,0|2,0,1]=4 8 B7R0.5 CCOC(=O)[C@@H](C)O AC-79265 [1,0,0,0,0,0|1,0,2]=4 9 B7R0.6 CC(C)NCC(=O)O AC-84846 [1,0,0,0,0,0|2,0,1]=4 10 B9R0.57 C[C@@H](N)C(=O)OC(C)(C)C AC-21537 [0,1,0,0,0,0|2,0,1]=4 11 B9R0.57 C[C@H](N)C(=O)OC(C)(C)C AC-63251 [0,1,0,0,0,0|2,0,1]=4 12 B9R0.79 CC(C)C(O)C(N)C(=O)O AC-86417 [0,1,0,0,0,0|2,0,1]=4 13 B9R1.35 CC(=O)N1CCC(Br)C1 AC-94637 [0,0,0,1,0,0|3,0,0]=4 14 B9R1.35 CC(=O)N1CCC(N)C1 AC-45636 [0,0,0,1,0,0|3,0,0]=4 15 B9R1.35 CC(=O)N1CCC(N)C1 AC-85189 [0,0,0,1,0,0|3,0,0]=4 16 B9R1.35 C[C@@H]1CN[C@H](C(=O)O)C1 AC-66634 [0,0,0,1,0,0|2,0,1]=4 17 B9R1.69 CC1CN(C)CCC1=O AC-74119 [0,0,0,1,0,0|2,0,1]=4 18 B9R1.69 CN1CCC(N)CC1=O AC-87233 [0,0,0,1,0,0|3,0,0]=4 19 B9R1.112 C\C(=C/C1CC1)C(=O)O AC-75555 [0,0,0,1,0,0|2,0,1]=4 20 B9R1.112 N[C@@H](CC1CC1)C(=O)O AC-19072 [0,0,0,1,0,0|2,0,1]=4 21 B9R1.164 CC1(C)CC(C(=O)O)C1 AC-41638 [0,0,0,1,0,0|2,0,1]=4 22 B7R0.16 CC(C)[C@@H](N)C(N)=O AC-61031 [0,0,0,0,1,0|2,0,1]=4 23 B7R0.16 CN(C)C(=O)C(=O)O AC-28511 [0,0,0,0,1,0|2,0,0]=3 24 B9R0.53 C\C(N)=C\C(=O)OC(C)C AC-13667 [0,0,0,0,0,1|2,0,0]=3 25 B6R0.1 CCCC(=O)NN AC-19259 [2,0,0,0,0,0|2,0,0]=4 26 B6R0.1 COC(=O)CCS AC-74164 [2,0,0,0,0,0|2,0,0]=4 27 B6R0.2 C[C@@H](O)CC(=O)O AC-81110 [2,0,0,0,0,0|1,0,1]=4 28 B6R0.2 C[C@@H](O)CC(=O)[O-] AC-77270 [2,0,0,0,0,0|1,0,1]=4 29 B6R0.2 C[C@H](N)CC(=O)O AC-77208 [2,0,0,0,0,0|1,0,1]=4 30 B6R0.4 CC(=O)CCCBr AC-77239 [2,0,0,0,0,0|1,0,1]=4 31 B6R0.4 CC(=O)CCCCl AC-35279 [2,0,0,0,0,0|1,0,1]=4 32 B6R0.4 CNCCC(C)=O AC-83135 [2,0,0,0,0,0|1,0,1]=4 33 B6R0.3 O=C(O)C(=O)CBr AC-66963 [2,0,0,0,0,0|2,0,0]=4 34 B8R0.2 COC(=O)C(N)C(C)O AC-76945 [1,1,0,0,0,0|2,0,0]=4 35 B8R0.2 COC(=O)[C@H](N)C(C)C AC-32040 [1,1,0,0,0,0|1,0,0]=3 36 B8R0.5 CC(C)OC(=O)OCCl AC-20165 [1,1,0,0,0,0|2,0,0]=4 37 B8R0.5 CCOC(=O)CC(C)O AC-66322 [1,1,0,0,0,0|1,0,1]=4 38 B8R0.5 CCOC(=O)C[C@@H](C)O AC-15114 [1,1,0,0,0,0|1,0,1]=4 39 B8R0.5 CCOC(=O)C[C@H](C)O AC-66323 [1,1,0,0,0,0|1,0,1]=4 40 B8R0.19 COC(=O)C[C@@H](O)CCl AC-20202 [1,1,0,0,0,0|2,0,0]=4 41 B8R0.3 CCOC(=O)C(=O)NN AC-76828 [1,1,0,0,0,0|2,0,0]=4 42 B8R0.29 CC(C)(N)CNC(N)=O AC-83164 [1,1,0,0,0,0|2,0,0]=4 43 B10R0.32 CCOC(=O)C(N)CC(C)C AC-52017 [0,2,0,0,0,0|1,0,1]=4 44 B8R1.4 CC1CC(=O)CCO1 AC-40753 [1,0,0,1,0,0|1,0,1]=4 45 B8R1.4 CC1CCOC(=O)C1 AC-96315 [1,0,0,1,0,0|1,0,0]=3 46 B8R1.4 CN1CCCC(=O)C1 AC-84159 [1,0,0,1,0,0|1,0,1]=4 47 B8R1.4 CN1CCOC(=O)C1 AC-91581 [1,0,0,1,0,0|2,0,0]=4 48 B8R1.4 NC1CCNC(=O)C1 AC-24692 [1,0,0,1,0,0|2,0,0]=4 49 B8R1.4 NC1CCNC(=O)C1 AC-80838 [1,0,0,1,0,0|2,0,0]=4 50 B8R1.4 O=C1CC(O)CCN1 AC-65410 [1,0,0,1,0,0|2,0,0]=4 51 B8R1.18 CN1CC(N)CC1=O AC-90779 [1,0,0,1,0,0|2,0,0]=4 52 B8R1.51 CC1(C)CCC(=O)N1 AC-44987 [1,0,0,1,0,0|1,0,1]=4 53 B8R1.51 CC1(C)CCC(=O)O1 AC-83139 [1,0,0,1,0,0|1,0,1]=4 54 B8R1.5 CC1NCCCC1=O AC-91259 [1,0,0,1,0,0|1,0,1]=4 55 B8R1.5 O=C1CCCCC1=O AC-75172 [1,0,0,1,0,0|0,0,0]=2 56 B8R1.19 CC1(C)CCCC1=O AC-92916 [1,0,0,1,0,0|1,0,1]=4 57 B8R1.3 CN1CCC(=O)CC1 AC-40555 [1,0,0,1,0,0|1,0,1]=4 58 B8R1.3 O=C1CCC(O)CC1 AC-37934 [1,0,0,1,0,0|1,0,1]=4 59 B8R1.35 O=C(O)CCC1CC1 AC-45156 [1,0,0,1,0,0|1,0,1]=4 60 B8R1.77 CC1(C)CC1C(=O)O AC-93733 [1,0,0,1,0,0|1,0,1]=4 61 B8R1.77 CC1(C)C[C@@H]1C(=O)O AC-77496 [1,0,0,1,0,0|1,0,1]=4 62 B8R1.50 CC1CCC(=O)C1=O AC-13924 [0,0,0,1,1,0|0,0,0]=2 63 B8R1.50 CC1CCC(=O)C1=O AC-95075 [0,0,0,1,1,0|0,0,0]=2 64 B8R1.50 CC1CCC(=O)C1=O AC-96413 [0,0,0,1,1,0|0,0,0]=2 65 B8R1.50 CC1CCN(C)C1=O AC-28575 [0,0,0,1,1,0|2,0,0]=4 66 B10R1.329 CC1(C)CC(=O)C=C(Cl)C1 AC-83104 [0,0,0,1,0,1|1,0,0]=3 67 B10R1.329 CC1(C)CC(=O)C=C(N)C1 AC-15954 [0,0,0,1,0,1|1,0,0]=3 68 B10R1.329 CC1(C)CC(=O)CC(=O)C1 AC-16744 [0,0,0,1,0,1|0,0,0]=2 69 B10R1.329 CC1(C)CC(=O)CC(=O)N1 AC-84225 [0,0,0,1,0,1|1,0,0]=3 70 B10R1.329 CC1(C)CC(=O)NC(=O)C1 AC-23419 [0,0,0,1,0,1|0,0,0]=2 71 B10R1.176 CN1CCC(CO)CC1=O AC-86199 [0,1,0,1,0,0|2,0,0]=4 72 B8R0.28 CN(C)C\C=C\C(=O)O AC-71519 [1,0,0,0,0,1|2,0,0]=4 73 B8R0.28 CN(C)C\C=C\C(=O)O AC-77445 [1,0,0,0,0,1|2,0,0]=4