0 B8R0.3 C=C(CF)C(=O)OCC C91938 [0,0,0,0,0,0|1,0,2]=3 1 B8R0.3 CCOC(=O)C(C)=[N+]=[N-] AT25590 [0,0,0,0,0,0|2,0,1]=3 2 B7R0.10 COC(=O)[C@@H](F)CN 94838 [1,0,0,0,0,0|2,0,0]=3 3 B7R0.10 COC(=O)[C@@H](F)CN AT15554 [1,0,0,0,0,0|2,0,0]=3 4 B7R0.10 COC(=O)[C@@H](N)CF AT23056 [1,0,0,0,0,0|2,0,0]=3 5 B7R0.10 CON(C)C(=O)CF 78564 [1,0,0,0,0,0|3,0,0]=4 6 B9R0.6 CCOC(=O)[C@@H](C)C(=O)O C91037 [0,1,0,0,0,0|1,0,1]=3 7 B9R0.35 CC#CC(=O)C(=O)OCC AT16811 [0,1,0,0,0,0|1,0,2]=4 8 B9R1.5 N[C@H]1COCCNC1=O 57966 [0,0,0,1,0,0|3,0,0]=4 9 B9R1.15 CO[C@H]1COCCC1=O D75195 [0,0,0,1,0,0|3,0,0]=4 10 B9R1.15 O=C1CCCC[C@@H]1CO 62260 [0,0,0,1,0,0|2,0,0]=3 11 B9R1.22 CCN1C[C@@H](O)CC1=O AT19120 [0,0,0,1,0,0|3,0,0]=4 12 B9R1.132 CCN1CC[C@H](N)C1=O AT19096 [0,0,0,1,0,0|2,0,0]=3 13 B9R1.132 CN1CC[C@H](CBr)C1=O C77450 [0,0,0,1,0,0|3,0,0]=4 14 B9R1.132 CN1CC[C@H](CN)C1=O AT19081 [0,0,0,1,0,0|3,0,0]=4 15 B9R1.132 CN[C@H]1CCN(C)C1=O AT19098 [0,0,0,1,0,0|3,0,0]=4 16 B9R1.183 CCOC(=O)C1CC1O 92030 [0,0,0,1,0,0|1,0,0]=2 17 B9R1.202 C[C@]1(CN)CCNC1=O AT19082 [0,0,0,1,0,0|2,0,0]=3 18 B9R0.34 CCOC(=O)CC(=O)CO D75487 [0,0,0,0,0,1|2,0,1]=4 19 B9R0.34 CCOC(=O)C[C@H](C)CI AT23325 [0,0,0,0,0,1|1,0,0]=2 20 B9R0.34 CCOC(=O)C[C@H](N)CF AT24446 [0,0,0,0,0,1|2,0,0]=3 21 B9R0.34 CCOC(=O)C[C@H](O)CO C11381 [0,0,0,0,0,1|2,0,0]=3 22 B6R0.1 COCC(=O)CBr AT12825 [2,0,0,0,0,0|2,0,0]=4 23 B6R0.3 COC(=O)[C@H](C)Br AT21844 [2,0,0,0,0,0|1,0,0]=3 24 B6R0.3 NC[C@H](F)C(=O)O 94834 [2,0,0,0,0,0|2,0,0]=4 25 B6R0.3 NC[C@H](F)C(=O)O 94835 [2,0,0,0,0,0|2,0,0]=4 26 B6R0.3 N[C@@H](CF)C(=O)O AT23058 [2,0,0,0,0,0|2,0,0]=4 27 B6R0.3 N[C@@H](CF)C(=O)O AT23059 [2,0,0,0,0,0|2,0,0]=4 28 B6R0.3 N[C@@H](CF)C(=O)O FD21128 [2,0,0,0,0,0|2,0,0]=4 29 B8R0.19 CCC(C)CC(C)CC T71466 [1,1,0,0,0,0|1,0,1]=4 30 B8R0.13 COC(=O)C(F)(F)CN AT15559 [1,1,0,0,0,0|2,0,0]=4 31 B8R0.13 COC(=O)[C@@](C)(N)CN F51570 [1,1,0,0,0,0|1,0,0]=3 32 B8R0.13 COC(=O)[C@@](C)(N)CN F51937 [1,1,0,0,0,0|1,0,0]=3 33 B8R0.13 COC(=O)[C@@](C)(N)CO AT18253 [1,1,0,0,0,0|1,0,0]=3 34 B10R0.2 CCOC(=O)CN(C)CCN AT15291 [0,1,0,0,0,1|1,0,0]=3 35 B10R0.26 CCOC(=O)C[C@H](N)C(C)C F53604 [0,1,0,0,0,1|1,0,0]=3 36 B10R0.26 CCOC(=O)C[C@H](N)C(C)C F53696 [0,1,0,0,0,1|1,0,0]=3 37 B10R0.100 [2H]C([2H])([2H])[C@H](Br)C(=O)OCC D99652 [0,2,0,0,0,0|2,0,0]=4 38 B10R0.32 CCOC(=O)[C@@H](N)CN(C)C AT25505 [0,2,0,0,0,0|1,0,0]=3 39 B10R0.37 CC(C)(C)OC(=O)[C@@H](N)CO D77004 [0,2,0,0,0,0|2,0,0]=4 40 B8R1.2 CC[C@H]1CCCCN1 I11451 [1,0,0,1,0,0|2,0,0]=4 41 B8R1.2 NC[C@H]1CCCOC1 P12202 [1,0,0,1,0,0|1,0,1]=4 42 B8R1.2 NC[C@H]1CCCOC1 P12792 [1,0,0,1,0,0|1,0,1]=4 43 B8R1.3 C[C@H]1CC[C@H](C)CC1 F10496 [1,0,0,1,0,0|1,0,1]=4 44 B8R1.3 C[C@H]1CO[C@@H](C)CN1 AC8572 [1,0,0,1,0,0|1,0,1]=4 45 B8R1.5 C[C@@H]1COCC[C@@H]1N CS2010 [1,0,0,1,0,0|1,0,1]=4 46 B8R1.5 C[C@@H]1COCC[C@@H]1N D75982 [1,0,0,1,0,0|1,0,1]=4 47 B8R1.5 C[C@H]1COCC[C@@H]1N P13195 [1,0,0,1,0,0|1,0,1]=4 48 B8R1.22 C[C@H]1COCCCN1 AT11439 [1,0,0,1,0,0|1,0,1]=4 49 B8R1.22 C[C@H]1COCCCN1 AT11440 [1,0,0,1,0,0|1,0,1]=4 50 B8R1.52 CC[C@@]1(C)CCNC1 AT25604 [1,0,0,1,0,0|1,0,1]=4 51 B8R1.52 CC[C@]1(O)CCOC1 69115 [1,0,0,1,0,0|1,0,1]=4 52 B8R1.52 CN[C@@]1(C)CCOC1 P11465 [1,0,0,1,0,0|1,0,1]=4 53 B8R1.52 C[C@]1(CBr)CCOC1 P13014 [1,0,0,1,0,0|1,0,1]=4 54 B8R1.52 C[C@]1(CO)CCOC1 D96840 [1,0,0,1,0,0|1,0,1]=4 55 B8R1.52 C[C@]1(CO)CCOC1 D96841 [1,0,0,1,0,0|1,0,1]=4 56 B8R1.18 C[C@@H]1C[C@H](O)C(=O)N1 AT26252 [1,0,0,1,0,0|2,0,0]=4 57 B8R1.19 C[C@]1(N)CCNC1=O AT19090 [1,0,0,1,0,0|2,0,0]=4 58 B8R1.19 C[C@]1(O)CCNC1=O 94941 [1,0,0,1,0,0|2,0,0]=4 59 B8R1.37 O=C(OCCl)C1CC1 D85989 [1,0,0,1,0,0|1,0,0]=3 60 B8R1.4 C[C@H]1CC(=O)CCO1 P11762 [1,0,0,1,0,0|2,0,0]=4 61 B8R1.11 CC[C@@H]1NCCC1=O AT25614 [1,0,0,1,0,0|2,0,0]=4 62 B8R1.11 CN[C@H]1CCNC1=O AT19094 [1,0,0,1,0,0|2,0,0]=4 63 B8R1.11 O=C1CCCN1CO D86008 [1,0,0,1,0,0|2,0,0]=4 64 B8R1.39 CC1(C(=O)CBr)CC1 AT13305 [1,0,0,1,0,0|1,0,0]=3 65 B10R1.135 CCOC(=O)[C@H]1C[C@@H]1C=O AT10666 [0,0,0,1,0,1|1,0,1]=4 66 B10R1.135 CCOC(=O)[C@H]1C[C@@H]1CBr AT12587 [0,0,0,1,0,1|1,0,0]=3 67 B10R1.135 CCOC(=O)[C@H]1C[C@H]1C=O AT15567 [0,0,0,1,0,1|1,0,1]=4 68 B10R1.135 CCOC(=O)[C@H]1C[C@H]1CBr F50049 [0,0,0,1,0,1|1,0,0]=3 69 B10R1.181 CCOC(=O)CC1(C)CC1 D88153 [0,0,0,1,0,1|0,0,0]=2 70 B10R1.34 C[C@H]1[C@@H](CO)NC(=O)[C@H]1F C92488 [0,1,0,1,0,0|2,0,0]=4 71 B10R1.212 CCOC(=O)C(C)=C1CC1 78565 [0,1,0,1,0,0|0,0,1]=3 72 B10R1.401 CCOC(=O)C1(O)CCC1 AT24823 [0,1,0,1,0,0|0,0,0]=2 73 B10R1.405 C#CC1(C(=O)OCC)CC1 93658 [0,1,0,1,0,0|0,0,1]=3 74 B10R1.11 CCOC(=O)[C@@H]1CCC=N1 AC7479 [0,1,0,1,0,0|0,0,1]=3 75 B10R1.11 CCOC(=O)[C@@H]1CCON1 33805 [0,1,0,1,0,0|1,0,0]=3 76 B10R1.140 CCNC(=O)N1CC(O)C1 AT23069 [0,1,0,1,0,0|2,0,0]=4 77 B10R1.140 CCOC(=O)N1CC(N)C1 AT23060 [0,1,0,1,0,0|1,0,0]=3 78 B10R1.140 CCOC(=O)[C@H]1C[C@@H](N)C1 F52406 [0,1,0,1,0,0|0,0,0]=2 79 B10R2.41 O=C1C2CCC1CNC2 38655 [0,0,0,2,0,0|2,0,0]=4 80 B10R2.41 O=C1C2CCCC1CC2 E73342 [0,0,0,2,0,0|1,0,0]=3 81 B10R2.41 O=C1[C@@H]2CC[C@H]1CSC2 E71101 [0,0,0,2,0,0|2,0,0]=4 82 B10R2.302 CN1C(=O)N[C@@H]2CC[C@@H]21 94763 [0,0,0,2,0,0|2,0,0]=4 83 B10R2.178 O=C1NCC2CCC1N2 P12579 [0,0,0,2,0,0|2,0,0]=4 84 B10R2.178 O=C1NCC2CC[C@@H]1N2 I10809 [0,0,0,2,0,0|2,0,0]=4 85 B10R2.15 O=C1CCOCC12CC2 P13025 [0,0,0,2,0,0|2,0,0]=4 86 B10R2.15 O=C1CNCCC12CC2 P13520 [0,0,0,2,0,0|2,0,0]=4 87 B10R2.15 O=C1NCCCC12CC2 AT22592 [0,0,0,2,0,0|1,0,0]=3 88 B10R2.62 O=C1CC2CCC1CN2 P19482 [0,0,0,2,0,0|2,0,0]=4 89 B10R2.62 O=C1CC2CCN1CC2 F52211 [0,0,0,2,0,0|2,0,0]=4 90 B10R2.190 O=C1CCCC12CCC2 F52959 [0,0,0,2,0,0|1,0,0]=3 91 B10R2.190 O=C1NCCC12CNC2 P13117 [0,0,0,2,0,0|2,0,0]=4 92 B10R2.19 CC12CCN(CC1=O)C2 E73293 [0,0,0,2,0,0|2,0,0]=4