0 B7R0.2 CNC(=O)C[N+](=O)[O-] AT26629 [1,0,0,0,0,0|3,0,0]=4 1 B7R0.4 CCCCC[13C](=O)O 41454 [1,0,0,0,0,0|2,0,1]=4 2 B9R0.6 CCOC(=O)[C@@H](C)C(=O)O C91037 [0,1,0,0,0,0|1,0,0]=2 3 B9R0.34 CCOC(=O)CC(=O)CO D75487 [0,1,0,0,0,0|0,0,0]=1 4 B9R0.34 CCOC(=O)C[C@H](C)CI AT23325 [0,1,0,0,0,0|1,0,1]=3 5 B9R0.34 CCOC(=O)C[C@H](N)CF AT24446 [0,1,0,0,0,0|1,0,1]=3 6 B9R0.34 CCOC(=O)C[C@H](O)CO C11381 [0,1,0,0,0,0|0,0,2]=3 7 B9R0.44 CCOC(=O)CC(C)(C)F AT22077 [0,1,0,0,0,0|1,0,1]=3 8 B9R1.22 CCN1C[C@@H](O)CC1=O AT19120 [0,0,0,1,0,0|1,0,2]=4 9 B9R1.22 CC[C@@H]1NC(=O)CC1=O D72818 [0,0,0,1,0,0|2,0,0]=3 10 B9R1.34 CC1=C[C@@H](C)CC(=O)C1 AC6518 [0,0,0,1,0,0|2,0,0]=3 11 B9R1.34 C[C@H]1CC(=O)C[C@H](C)O1 F31011 [0,0,0,1,0,0|1,0,1]=3 12 B9R1.34 O=C1CC(=O)CC(O)C1 57817 [0,0,0,1,0,0|2,0,0]=3 13 B9R1.48 C[C@H]1CC(=O)NCCN1 12217 [0,0,0,1,0,0|2,0,1]=4 14 B9R1.48 C[C@H]1CC(=O)NCCN1 92001 [0,0,0,1,0,0|2,0,1]=4 15 B9R1.48 N[C@H]1CCCNC(=O)C1 F19647 [0,0,0,1,0,0|2,0,1]=4 16 B9R1.59 CCO[C@H]1C[C@@H]1C(=O)O P20135 [0,0,0,1,0,0|2,0,1]=4 17 B9R1.75 CCOC(=O)C[C@H]1CO1 A11336 [0,0,0,1,0,0|0,0,2]=3 18 B9R1.183 CCOC(=O)C1CC1O 92030 [0,0,0,1,0,0|0,0,2]=3 19 B6R0.1 COCC(=O)CBr AT12825 [2,0,0,0,0,0|2,0,0]=4 20 B6R0.2 C=C(I)CC(=O)O E73427 [2,0,0,0,0,0|1,0,1]=4 21 B6R0.4 CC(=O)CCCN C77428 [2,0,0,0,0,0|1,0,1]=4 22 B8R0.2 COC(=O)[C@@H](C)[C@H](C)N 75023 [1,1,0,0,0,0|1,0,1]=4 23 B8R0.19 COC(=O)CC(=O)CF AT24447 [1,1,0,0,0,0|0,0,0]=2 24 B8R0.19 COC(=O)C[C@H](C)CBr AT23326 [1,1,0,0,0,0|1,0,1]=4 25 B8R0.19 COC(=O)C[C@H](C)CBr AT23327 [1,1,0,0,0,0|1,0,1]=4 26 B8R0.1 CCOC(=O)\C=C\CO AT14907 [1,1,0,0,0,0|0,0,1]=3 27 B8R0.1 N#CCC(=O)OCCN D76753 [1,1,0,0,0,0|1,0,1]=4 28 B8R0.1 N#CCC(=O)OCCN D76754 [1,1,0,0,0,0|1,0,1]=4 29 B10R0.26 CCNC(=O)N[C@@H](C)C(=O)O E72360 [0,1,0,0,0,1|2,0,0]=4 30 B10R0.26 CCOC(=O)C[C@H](N)C(C)C F53604 [0,1,0,0,0,1|1,0,1]=4 31 B10R0.26 CCOC(=O)C[C@H](N)C(C)C F53696 [0,1,0,0,0,1|1,0,1]=4 32 B10R0.32 CCOC(=O)[C@@H](N)CN(C)C AT25505 [0,1,0,0,0,1|2,0,0]=4 33 B10R0.101 CCOC(=O)[C@@H](C#N)C(N)=O D86384 [0,2,0,0,0,0|1,0,0]=3 34 B10R0.2 CCOC(=O)CN(C)CCN AT15291 [0,2,0,0,0,0|2,0,0]=4 35 B8R1.4 C[C@H]1CC(=O)CCO1 P11762 [1,0,0,1,0,0|0,0,2]=4 36 B8R1.18 C[C@@H]1NC(=O)CC1=O D72747 [1,0,0,1,0,0|1,0,0]=3 37 B8R1.18 N[C@H]1CC(=O)NC1=O AT18961 [1,0,0,1,0,0|2,0,0]=4 38 B8R1.18 N[C@H]1CC(=O)NC1=O AT18962 [1,0,0,1,0,0|2,0,0]=4 39 B8R1.18 N[C@H]1CC(=O)NC1=O AT18963 [1,0,0,1,0,0|2,0,0]=4 40 B8R1.18 N[C@H]1CC(=O)OC1=O AT25837 [1,0,0,1,0,0|2,0,0]=4 41 B8R1.31 O=C(O)[C@@H]1CCC1=O 54673 [1,0,0,1,0,0|1,0,0]=3 42 B8R1.31 O=C(O)[C@@H]1CNC1=O D72827 [1,0,0,1,0,0|2,0,0]=4 43 B8R1.40 COC(=O)C=C1CC1 AT21192 [1,0,0,1,0,0|1,0,1]=4 44 B8R1.6 CCOC1CC(=O)C1 D75215 [1,0,0,1,0,0|0,0,1]=3 45 B8R1.7 CC(=O)[C@@H]1CCCO1 74399 [1,0,0,1,0,0|2,0,0]=4 46 B8R1.7 O=C(O)[C@@H]1C=CCC1 E72837 [1,0,0,1,0,0|2,0,0]=4 47 B8R1.7 O=C(O)[C@@H]1CCON1 D75847 [1,0,0,1,0,0|2,0,0]=4 48 B8R1.11 CN[C@H]1CCNC1=O AT19094 [1,0,0,1,0,0|2,0,0]=4 49 B8R1.37 O=C(OCCl)C1CC1 D85989 [1,0,0,1,0,0|1,0,1]=4 50 B8R1.5 O=C1NCCOC1=O P10038 [0,0,0,1,1,0|1,0,0]=3 51 B10R1.1 CCON1CCC(=O)CC1 92110 [0,0,0,1,0,1|2,0,0]=4 52 B10R1.113 CC(=O)[C@H]1CCCC(=O)C1 F53683 [0,0,0,1,0,1|1,0,0]=3 53 B10R1.113 CC(=O)[C@H]1CCNC(=O)C1 AC9648 [0,0,0,1,0,1|1,0,0]=3 54 B10R1.113 NC(=O)[C@H]1CCCC(=O)C1 D86046 [0,0,0,1,0,1|2,0,0]=4 55 B10R1.140 CCOC(=O)N1CC(N)C1 AT23060 [0,0,0,1,0,1|1,0,1]=4 56 B10R1.140 CCOC(=O)[C@H]1C[C@@H](N)C1 F52406 [0,0,0,1,0,1|1,0,1]=4 57 B10R1.61 O=C(O)[C@@H]1NCCNC1=O 64864 [0,1,0,1,0,0|2,0,0]=4 58 B10R1.212 CCOC(=O)C(C)=C1CC1 78565 [0,1,0,1,0,0|1,0,1]=4 59 B10R1.135 CCOC(=O)[C@H]1C[C@@H]1C=O AT10666 [0,1,0,1,0,0|0,0,1]=3 60 B10R1.135 CCOC(=O)[C@H]1C[C@@H]1CBr AT12587 [0,1,0,1,0,0|1,0,1]=4 61 B10R1.135 CCOC(=O)[C@H]1C[C@H]1C=O AT15567 [0,1,0,1,0,0|0,0,1]=3 62 B10R1.135 CCOC(=O)[C@H]1C[C@H]1CBr F50049 [0,1,0,1,0,0|1,0,1]=4 63 B10R1.181 CCOC(=O)CC1(C)CC1 D88153 [0,1,0,1,0,0|1,0,1]=4 64 B6R0.3 COC(=O)[C@H](C)Br AT21844 [1,0,0,0,1,0|1,0,1]=4