0 B10R1.13 CN1CCC(C(=O)O)CC1 4088806 [0,0,0,1,0,0|3,0,0]=4 1 B10R1.61 CN1CCCCC1C(=O)O 4089496 [0,0,0,1,0,0|3,0,0]=4 2 B10R1.61 NC(=O)[C@@H]1CCCC[C@H]1N 4047092 [0,0,0,1,0,0|2,0,0]=3 3 B10R1.61 NC(=O)[C@H]1CCCC[C@H]1N 4031246 [0,0,0,1,0,0|2,0,0]=3 4 B10R1.61 NC(=O)[C@H]1CCCC[C@H]1N 4090440 [0,0,0,1,0,0|2,0,0]=3 5 B10R1.348 O=C(O)C1CCCCCN1 4140254 [0,0,0,1,0,0|3,0,0]=4 6 B10R1.477 CNC1(C(=O)O)CCCC1 4091153 [0,0,0,1,0,0|3,0,0]=4 7 B10R1.477 NCC1(C(=O)O)CCCC1 4090763 [0,0,0,1,0,0|2,0,0]=3 8 B7R0.3 CCCOC(C)CN 4089733 [2,0,0,0,0,0|2,0,0]=4 9 B7R0.5 CNCC(C)C(=O)O 4088272 [2,0,0,0,0,0|2,0,0]=4 10 B9R1.5 N[C@@H]1CCCCC[C@@H]1O 4046958 [1,0,0,1,0,0|1,0,1]=4 11 B9R1.6 O=C(O)C1COCCO1 4016984 [1,0,0,1,0,0|2,0,0]=4 12 B9R1.23 CN1CC(CN)CC1=O 4091208 [1,0,0,1,0,0|2,0,0]=4 13 B9R1.59 CCC[C@H]1C[C@H]1C(=O)O 4003600 [1,0,0,1,0,0|1,0,0]=3 14 B9R1.69 C[C@@H]1CN[C@H](C)C(=O)N1 4054379 [1,0,0,1,0,0|2,0,0]=4 15 B9R1.69 C[C@@H]1NC[C@@H](C)NC1=O 4082967 [1,0,0,1,0,0|2,0,0]=4 16 B9R1.69 C[C@H]1CN[C@@H](C)C(=O)N1 4084559 [1,0,0,1,0,0|2,0,0]=4 17 B9R1.69 C[C@H]1CN[C@H](C)C(=O)N1 4059417 [1,0,0,1,0,0|2,0,0]=4 18 B9R1.95 COC1CC(C(=O)O)C1 4029580 [1,0,0,1,0,0|2,0,0]=4 19 B9R1.95 CO[C@H]1C[C@H](C(=O)O)C1 4058431 [1,0,0,1,0,0|2,0,0]=4 20 B9R1.110 CC(C(=O)O)N1CCC1 4045545 [1,0,0,1,0,0|2,0,0]=4 21 B9R1.163 CC1(C(=O)O)CCCN1 4090777 [1,0,0,1,0,0|2,0,0]=4 22 B9R1.163 C[C@@]1(C(=O)O)CCCN1 4142038 [1,0,0,1,0,0|2,0,0]=4 23 B9R1.1 CN1CCC(C=O)CC1 4088425 [1,0,0,1,0,0|2,0,0]=4 24 B9R1.15 CN1CCCCC1CBr 4088753 [1,0,0,1,0,0|2,0,0]=4 25 B9R1.15 CN1CCCCC1CCl 4088099 [1,0,0,1,0,0|2,0,0]=4 26 B9R1.15 CNC1CCCCC1O 4105003 [1,0,0,1,0,0|1,0,0]=3 27 B9R1.15 CN[C@@H]1CCCC[C@@H]1O 4050792 [1,0,0,1,0,0|1,0,0]=3 28 B9R1.89 CNC1CCCCCC1 4089903 [1,0,0,1,0,0|2,0,0]=4 29 B9R1.41 CN(C)[C@@H]1CCC[C@H]1O 3002985 [1,0,0,1,0,0|2,0,0]=4 30 B11R1.167 CN1CC[C@@H](O)[C@H](C(=O)O)C1 4009741 [0,1,0,1,0,0|2,0,0]=4 31 B11R1.222 COC(=O)[C@H]1CNCC[C@@H]1O 4046401 [0,1,0,1,0,0|1,0,0]=3 32 B11R1.1472 CCC1(C(=O)OC)CCCN1 4089857 [0,1,0,1,0,0|2,0,0]=4 33 B11R1.3 CCN1CCC(C(=O)O)CC1 4089226 [0,1,0,1,0,0|2,0,0]=4 34 B11R1.1074 CCC1(C(=O)O)CCCCN1 4090115 [0,1,0,1,0,0|2,0,0]=4 35 B11R1.1074 CCC1(C(=O)O)CCNCC1 4089530 [0,1,0,1,0,0|2,0,0]=4 36 B11R1.1074 CCC1(C(N)=O)CCNCC1 4088649 [0,1,0,1,0,0|2,0,0]=4