0 B7R0.7 COCC(=O)COC D12730 [0,0,0,0,0,0|2,1,0]=3 1 B7R0.7 [C-]#[N+]CC(=O)OCC E14341 [0,0,0,0,0,0|1,0,1]=2 2 B6R0.1 C=CC(=O)CCC H17062 [1,0,0,0,0,0|1,0,2]=4 3 B6R0.1 CCOC(=O)CN A14488 [1,0,0,0,0,0|1,0,0]=2 4 B6R0.1 CCO\C(C)=N/O H17707 [1,0,0,0,0,0|2,1,0]=4 5 B6R0.1 CNCC(=O)OC M5408 [1,0,0,0,0,0|1,0,0]=2 6 B6R0.1 [C-]#[N+]CC(=O)OC M14376 [1,0,0,0,0,0|1,0,1]=3 7 B8R0.1 CCOC(=O)\C=C\CBr E1566 [0,1,0,0,0,0|1,0,1]=3 8 B8R0.3 CCOC(=O)C(C)CN A14614 [0,1,0,0,0,0|2,0,0]=3 9 B8R0.3 CCOC(=O)C(N)C#N E14057 [0,1,0,0,0,0|2,0,0]=3 10 B8R0.3 CCOC(=O)[C@@H](N)CS C8432 [0,1,0,0,0,0|2,0,0]=3 11 B8R1.4 C[C@H]1CNC[C@@H](C)O1 D6725 [0,0,0,1,0,0|2,0,1]=4 12 B8R1.11 N#CC1CCCC1=O C17014 [0,0,0,1,0,0|3,0,0]=4 13 B8R1.11 O=C1CNCN1CO H13318 [0,0,0,1,0,0|3,0,0]=4 14 B8R1.18 CC1=C(C)OC(=O)O1 D0822 [0,0,0,1,0,0|2,0,1]=4 15 B5R0.1 CCCC(=O)O B18853 [2,0,0,0,0,0|1,0,0]=3 16 B5R0.1 CNCC(=O)O S18803 [2,0,0,0,0,0|1,0,0]=3 17 B5R0.1 CSCC(=N)N M13847 [2,0,0,0,0,0|2,0,0]=4 18 B5R0.3 COC(=O)CN G18901 [2,0,0,0,0,0|1,0,0]=3 19 B7R0.2 COC(=O)C[N+](=O)[O-] M18810 [1,1,0,0,0,0|2,0,0]=4 20 B7R0.2 COC(=O)\C=C(\C)N A18843 [1,1,0,0,0,0|1,0,1]=4 21 B7R0.3 COC(=O)\C=C\CBr M1565 [1,1,0,0,0,0|1,0,1]=4 22 B7R0.5 CCOC(=O)C(F)Br E1920 [1,1,0,0,0,0|1,0,0]=3 23 B7R0.5 CCOC(=O)C(F)F E5215 [1,1,0,0,0,0|1,0,0]=3 24 B7R0.10 COC(=O)[C@@H](N)CS C7887 [1,1,0,0,0,0|2,0,0]=4 25 B9R0.34 CCOC(=O)C[C@@H](O)CBr B7205 [0,2,0,0,0,0|1,0,0]=3 26 B9R0.34 CCOC(=O)C[C@@H](O)CCl E6788 [0,2,0,0,0,0|1,0,0]=3 27 B9R0.34 CCOC(=O)C[C@H](O)CBr B7204 [0,2,0,0,0,0|1,0,0]=3 28 B9R0.34 CCOC(=O)C[C@H](O)CCl C6789 [0,2,0,0,0,0|1,0,0]=3 29 B9R0.34 CCOC(=O)C\C(N)=N\O H13133 [0,2,0,0,0,0|2,0,0]=4 30 B9R0.48 CCOC(=O)\C=C\N(C)C E12533 [0,2,0,0,0,0|1,0,1]=4 31 B9R0.6 CCOC(=O)[C@@H](N)C(C)C V8260 [0,2,0,0,0,0|1,0,0]=3 32 B9R0.44 CC(C)(C)OC(=O)CCCl B13440 [0,2,0,0,0,0|2,0,0]=4 33 B9R0.44 CCOC(=O)CS(=O)(=O)Cl C4521 [0,2,0,0,0,0|1,0,1]=4 34 B9R0.44 CCOC(=O)CS(=O)(=O)Cl C4521 [0,2,0,0,0,0|1,0,1]=4 35 B9R0.44 CCOC(=O)CS(C)(=O)=O E7724 [0,2,0,0,0,0|0,0,1]=3 36 B9R0.53 C\C(N)=C\C(=O)OC(C)C I1588 [0,2,0,0,0,0|1,0,1]=4 37 B7R1.2 O=C1CCC(=O)C1 C13983 [1,0,0,1,0,0|2,0,0]=4 38 B7R1.2 O=C1C[C@@H](O)CO1 H7194 [1,0,0,1,0,0|2,0,0]=4 39 B7R1.2 O=C1C[C@H](O)CO1 H2611 [1,0,0,1,0,0|2,0,0]=4 40 B7R1.3 O=C1C=CCCC1 C17765 [1,0,0,1,0,0|1,0,1]=4 41 B7R1.3 O=C1CCNCC1 P3649 [1,0,0,1,0,0|2,0,0]=4 42 B7R1.3 O=C1CCNCC1 P7276 [1,0,0,1,0,0|2,0,0]=4 43 B7R1.3 O=C1CCOCC1 T11055 [1,0,0,1,0,0|2,0,0]=4 44 B7R1.3 O=C1CNCCN1 P12440 [1,0,0,1,0,0|2,0,0]=4 45 B7R1.4 C=C1CCOC1=O M11697 [1,0,0,1,0,0|0,0,2]=4 46 B7R1.4 CC1OCCC1=O M5424 [1,0,0,1,0,0|2,0,0]=4 47 B7R1.4 CC1OCCC1S T12619 [1,0,0,1,0,0|1,0,1]=4 48 B7R1.4 O=C1OCCC1Br B11067 [1,0,0,1,0,0|1,0,0]=3 49 B9R1.15 CCC1NCCNC1=O E15728 [0,1,0,1,0,0|2,0,0]=4 50 B9R1.27 CCC1=C(C)CNC1=O E5392 [0,1,0,1,0,0|2,0,0]=4 51 B9R1.27 CCC1C(=O)NCC1C E17699 [0,1,0,1,0,0|2,0,0]=4 52 B9R1.73 CCOC(=O)C1CNC1 A19137 [0,1,0,1,0,0|1,0,0]=3 53 B9R1.5 N[C@H]1CCCCNC1=O A0101 [0,1,0,1,0,0|2,0,0]=4 54 B9R1.37 CC1=C(O)C(=O)OC1C D6964 [0,1,0,1,0,0|1,0,1]=4 55 B9R1.74 CCOC(=O)C1(N)CC1 A18991 [0,1,0,1,0,0|1,0,0]=3 56 B9R1.137 CC(C)OC(=O)C1CC1 I2243 [0,1,0,1,0,0|1,0,0]=3 57 B9R2.7 O=C1NC2CCCC12 A12948 [0,0,0,2,0,0|2,0,0]=4