0 B9R0.53 CC(=CC(C=C(C)C)=O)C AK-35357 [0,0,0,0,0,0|0,0,4]=4 1 B9R0.53 CC(C)CC(O)CC(C)C AK114199 [0,0,0,0,0,0|0,0,2]=2 2 B9R0.53 O=C(OC(Cl)C)OC(C)C AK114647 [0,0,0,0,0,0|3,0,0]=3 3 B9R0.53 O=C(OC(Cl)C)OC(Cl)C AK402194 [0,0,0,0,0,0|4,0,0]=4 4 B9R0.53 OP(OC(C)C)OC(C)C AK114245 [0,0,0,0,0,0|3,0,1]=4 5 B8R0.5 C(=O)(NC(C)C)CCC AK-95275 [1,0,0,0,0,0|1,0,0]=2 6 B8R0.5 C(C(OCC)=O)C(C)O AK-73006 [1,0,0,0,0,0|2,0,0]=3 7 B8R0.5 CCOC(=O)OC(C)Cl AK109787 [1,0,0,0,0,0|3,0,0]=4 8 B8R0.5 O[C@@H](CC(=O)OCC)C AK-44441 [1,0,0,0,0,0|2,0,0]=3 9 B10R0.31 C(C)(C)(C)OC(C[C@H](C)O)=O AK-49010 [0,1,0,0,0,0|2,0,0]=3 10 B10R0.31 CC(CC(OC(C)(C)C)=O)=O AK106196 [0,1,0,0,0,0|2,0,1]=4 11 B10R0.44 CC(C)CC(CC(OC)=O)=O AK153459 [0,1,0,0,0,0|1,0,1]=3 12 B10R1.329 CC1(C)CC(=O)NC(=O)C1 AK-80204 [0,0,0,1,0,0|2,0,1]=4 13 B10R1.329 O=C1CC(C)(C)CC(C)C1 AK122426 [0,0,0,1,0,0|0,0,0]=1 14 B10R1.329 O=C1CC(CC(C)(C)C1)=O AK-33057 [0,0,0,1,0,0|1,0,1]=3 15 B10R1.329 OC1CC(C)(C)CC(C)C1 AK117244 [0,0,0,1,0,0|0,0,2]=3 16 B8R0.23 CC(C)OC([C@H](C)N)=O AK-40023 [0,0,0,0,1,0|2,0,0]=3 17 B8R0.23 CC(CC(N(C)C)=O)=O AK129044 [0,0,0,0,1,0|2,0,1]=4 18 B8R0.23 C[C@H](N)C(OC(C)C)=O AK136097 [0,0,0,0,1,0|2,0,0]=3 19 B10R0.96 O=C(O)CNC(CC(C)C)=O AK-61155 [0,0,0,0,0,1|2,0,1]=4 20 B7R0.2 C[C@@H](N)CC(OC)=O AK175410 [2,0,0,0,0,0|2,0,0]=4 21 B7R0.2 C[C@@H](O)CC(OC)=O AK-54453 [2,0,0,0,0,0|2,0,0]=4 22 B7R0.2 C[C@H](O)CC(OC)=O AK-48318 [2,0,0,0,0,0|2,0,0]=4 23 B7R0.2 OCC(OC(C)C)=O AK-48397 [2,0,0,0,0,0|2,0,0]=4 24 B7R0.7 C(C)OC(CCI)=O AK-46570 [2,0,0,0,0,0|2,0,0]=4 25 B7R0.7 CCOC(=O)CCBr AK-76993 [2,0,0,0,0,0|2,0,0]=4 26 B7R0.7 CCOC(=O)CCO AK-41251 [2,0,0,0,0,0|2,0,0]=4 27 B7R0.7 O=C(COC)COC AK116819 [2,0,0,0,0,0|2,0,0]=4 28 B7R0.7 O=C(NCC)NCC AK116700 [2,0,0,0,0,0|2,0,0]=4 29 B7R0.7 O=C(OCC)CCN AK-49791 [2,0,0,0,0,0|2,0,0]=4 30 B7R0.7 O=C(OCC)CNC AK-44190 [2,0,0,0,0,0|2,0,0]=4 31 B9R0.6 CC(C)C(N)C(OCC)=O AK117096 [1,1,0,0,0,0|1,0,0]=3 32 B9R0.6 N[C@H](C(C)C)C(OCC)=O AK-50082 [1,1,0,0,0,0|1,0,0]=3 33 B9R0.6 [C@H](C)(O)[C@@H](N)C(=O)OCC AK-89761 [1,1,0,0,0,0|2,0,0]=4 34 B9R0.6 [C@H](N)(C(C)C)C(=O)OCC AK-46082 [1,1,0,0,0,0|1,0,0]=3 35 B9R0.34 CCCC(CC(OC)=O)=O AK-93760 [1,1,0,0,0,0|1,0,1]=4 36 B9R0.34 O=C(OCC)C[C@H](O)CCl AK-50772 [1,1,0,0,0,0|2,0,0]=4 37 B9R0.44 C(C)(C)(C)OC(CCN)=O AK-44704 [1,1,0,0,0,0|2,0,0]=4 38 B9R0.44 C(C)OC(CC(C)(C)N)=O AK-39600 [1,1,0,0,0,0|1,0,0]=3 39 B9R0.44 CC(C)(C)OC(CNC)=O AK-49089 [1,1,0,0,0,0|2,0,0]=4 40 B9R0.44 CCOC(=O)CC(C)(C)O AK-78216 [1,1,0,0,0,0|1,0,0]=3 41 B9R0.44 O=C(OC(C)(C)C)CCBr AK111517 [1,1,0,0,0,0|2,0,0]=4 42 B9R0.44 O=C(OC(C)(C)C)CCN AK-88455 [1,1,0,0,0,0|2,0,0]=4 43 B9R0.44 O=C(OCC)C[Si](C)(C)C AK106228 [1,1,0,0,0,0|1,1,0]=4 44 B9R0.42 CC(C(CC(=O)OC)=O)C AK-46521 [0,1,0,0,1,0|1,0,1]=4 45 B9R0.57 C[C@H](N)C(OC(C)(C)C)=O AK-46060 [0,1,0,0,1,0|2,0,0]=4 46 B9R0.57 N[C@H](C)C(OC(C)(C)C)=O AK-49965 [0,1,0,0,1,0|2,0,0]=4 47 B11R0.34 CC(NNC(OC(C)(C)C)=O)C AK-83246 [0,1,0,0,0,1|2,0,0]=4 48 B11R0.34 CC(O)CNC(=O)OC(C)(C)C AK-81975 [0,1,0,0,0,1|2,0,0]=4 49 B11R0.34 C[C@H](N)CNC(OC(C)(C)C)=O AK-41409 [0,1,0,0,0,1|2,0,0]=4 50 B11R0.34 O=C(OC(C)(C)C)NCC(N)C AK-38056 [0,1,0,0,0,1|2,0,0]=4 51 B11R0.34 O=C(OC(C)(C)C)NC[C@@H](N)C AK164343 [0,1,0,0,0,1|2,0,0]=4 52 B11R0.34 O=C(OC(C)(C)C)NC[C@H](N)C AK-42179 [0,1,0,0,0,1|2,0,0]=4 53 B11R0.308 N[C@@H](C(C)C)C(OC(C)(C)C)=O AK-41344 [0,2,0,0,0,0|1,0,0]=3 54 B11R0.308 [C@@H](N)(C(C)C)C(=O)OC(C)(C)C AK-49226 [0,2,0,0,0,0|1,0,0]=3 55 B11R0.119 C(=O)(OC(C)(C)C)N[C@H](C)CO AK-44877 [0,2,0,0,0,0|2,0,0]=4 56 B11R0.119 CC(CN)NC(=O)OC(C)(C)C AK109743 [0,2,0,0,0,0|2,0,0]=4 57 B11R0.119 C[C@H](NC(OC(C)(C)C)=O)CN AK-41549 [0,2,0,0,0,0|2,0,0]=4 58 B11R0.119 O=C(OC(C)(C)C)NC(C)CO AK-68631 [0,2,0,0,0,0|2,0,0]=4 59 B11R0.119 O=C(OC(C)(C)C)N[C@H](C)CN AK-77631 [0,2,0,0,0,0|2,0,0]=4 60 B11R0.119 [C@@H](NC(OC(C)(C)C)=O)(CO)C AK-44106 [0,2,0,0,0,0|2,0,0]=4 61 B9R1.34 CC1CC(C)CC(O)C1 AK103636 [1,0,0,1,0,0|0,0,2]=4 62 B9R1.48 C1(CCCCC(C1)=O)=O AK-49302 [1,0,0,1,0,0|1,0,1]=4 63 B9R1.48 O=C1NCCCC(N)C1 AK132100 [1,0,0,1,0,0|2,0,0]=4 64 B9R1.66 O=C1CC(C)(C)CCC1 AK-77355 [1,0,0,1,0,0|0,0,0]=2 65 B9R1.66 O=C1CC(C)(C)NCC1 AK158739 [1,0,0,1,0,0|1,0,0]=3 66 B9R1.66 O=C1CC(C)(C)OCC1 AK-25320 [1,0,0,1,0,0|1,0,0]=3 67 B9R1.137 CC(CC(C1CC1)=O)=O AK-84405 [1,0,0,1,0,0|1,0,1]=4 68 B9R1.69 CN1CCC(N)CC1=O AK100918 [0,0,0,1,1,0|2,0,0]=4 69 B11R1.166 O[C@H]1[C@H](C(C)C)CC[C@@H](C)C1 AK158890 [0,1,0,1,0,0|0,0,2]=4 70 B11R1.1361 CC1CC(C)(C)CC(=O)C1=O AK109604 [0,1,0,1,0,0|0,0,1]=3 71 B11R1.547 O=C(N1C(C)C1)OC(C)(C)C AK137121 [0,1,0,1,0,0|2,0,0]=4 72 B11R1.1127 C(=O)(OC(C)(C)C)NC1CC1 AK-43848 [0,1,0,1,0,0|2,0,0]=4 73 B11R1.1362 O=C1CC(C)(C)CC(C)(C)C1 AK126690 [0,1,0,1,0,0|0,0,0]=2 74 B11R1.1362 O=C1CC(C)(C)NC(C)(C)C1 AK-88800 [0,1,0,1,0,0|0,0,0]=2 75 B11R1.1362 O=C1CC(C)(C)NC(C)(C)C1 AK114147 [0,1,0,1,0,0|0,0,0]=2 76 B7R0.5 CC(C)C(=O)CC#N AK-34559 [1,0,0,0,1,0|1,0,1]=4 77 B7R0.5 CC(C)C(OCCl)=O AK163215 [1,0,0,0,1,0|2,0,0]=4 78 B7R0.5 CCOC(=O)C(C)N AK-46063 [1,0,0,0,1,0|2,0,0]=4 79 B7R0.5 CCOC([C@@H](C)O)=O AK-46630 [1,0,0,0,1,0|2,0,0]=4 80 B7R0.5 C[C@H](N)C(OCC)=O AK-49256 [1,0,0,0,1,0|2,0,0]=4 81 B7R0.5 N[C@H](C)C(OCC)=O AK-49997 [1,0,0,0,1,0|2,0,0]=4 82 B7R0.16 CC(C)C(N)C(C)C AK167760 [0,0,0,0,2,0|1,0,1]=4