0 B8R0.6 CCCCC\C(N)=N/O H14018 [0,0,0,0,0,0|3,0,0]=3 1 B7R0.3 CCCC\C(N)=N/O H14021 [1,0,0,0,0,0|3,0,0]=4 2 B7R0.3 COC(=O)\C=C\CBr M1565 [1,0,0,0,0,0|1,0,2]=4 3 B7R0.4 C=CCNCC(=O)O A18405 [1,0,0,0,0,0|1,0,2]=4 4 B7R0.4 CC(=O)CCCCCl C18888 [1,0,0,0,0,0|1,0,0]=2 5 B7R0.4 CCCCCC(=N)N H14019 [1,0,0,0,0,0|2,0,0]=3 6 B7R0.4 CCOCCC(=N)N E14098 [1,0,0,0,0,0|3,0,0]=4 7 B7R0.4 N=C(N)CCCCCl C16515 [1,0,0,0,0,0|3,0,0]=4 8 B7R0.4 O=C(Cl)CCCCBr B9001 [1,0,0,0,0,0|2,0,0]=3 9 B9R0.8 COC(=O)[C@@H](N)CCSC M5535 [0,1,0,0,0,0|1,0,0]=2 10 B9R0.46 CCCCCC\C(N)=N\O H12999 [0,1,0,0,0,0|3,0,0]=4 11 B9R1.1 O=C1CO[C@@H](CO)CN1 H16874 [0,0,0,1,0,0|3,0,0]=4 12 B9R1.3 CC1C(=O)CCCC1=O D3659 [0,0,0,1,0,0|2,0,1]=4 13 B9R1.5 N[C@H]1CCCCNC1=O A0101 [0,0,0,1,0,0|3,0,0]=4 14 B9R1.11 COC(=O)C1CC=CC1 M13309 [0,0,0,1,0,0|0,0,2]=3 15 B9R1.11 COC(=O)[C@@H]1CCCN1 P7690 [0,0,0,1,0,0|1,0,0]=2 16 B9R1.11 COC(=O)[C@H]1CCCN1 P7691 [0,0,0,1,0,0|1,0,0]=2 17 B9R1.11 N\C(=N/O)C1CCCC1 H13016 [0,0,0,1,0,0|3,0,0]=4 18 B9R1.21 COC1CCC(OC)O1 D3309 [0,0,0,1,0,0|1,0,2]=4 19 B9R1.88 COC(=O)[C@H]1O[C@@H]1CO M6398 [0,0,0,1,0,0|2,0,0]=3 20 B9R1.132 CCC1=C(O)C(=O)CC1 E13443 [0,0,0,1,0,0|2,0,1]=4 21 B6R0.6 CCCCCCBr S19038 [2,0,0,0,0,0|1,0,1]=4 22 B6R0.1 C=CC(=O)CCC H17062 [2,0,0,0,0,0|1,0,1]=4 23 B6R0.1 CNCC(=O)OC M5408 [2,0,0,0,0,0|1,0,0]=3 24 B6R0.1 [C-]#[N+]CC(=O)OC M14376 [2,0,0,0,0,0|1,0,1]=4 25 B6R0.4 CCCCB(O)O B0514 [2,0,0,0,0,0|1,0,1]=4 26 B6R0.4 NCCCC(=O)O A19243 [2,0,0,0,0,0|1,0,0]=3 27 B6R0.4 O=C(Cl)CCCCl C18875 [2,0,0,0,0,0|2,0,0]=4 28 B8R0.4 CCCCCC#CCBr B8552 [1,1,0,0,0,0|1,0,1]=4 29 B8R0.7 CCCCCC[C@H](C)O O2182 [1,1,0,0,0,0|1,0,1]=4 30 B8R0.3 COC(=O)C(Br)CCBr M18995 [1,1,0,0,0,0|1,0,0]=3 31 B8R0.3 COC(=O)C(Br)CCBr M18995 [1,1,0,0,0,0|1,0,0]=3 32 B8R0.3 COC(=O)C(N)CCBr M13176 [1,1,0,0,0,0|1,0,0]=3 33 B8R0.3 COC(=O)[C@@H](N)CCBr M13187 [1,1,0,0,0,0|1,0,0]=3 34 B8R0.5 C=CC[C@H](N)CC(=O)O A15403 [1,1,0,0,0,0|0,0,2]=4 35 B8R0.5 CCCC(N)CC(=O)O A14453 [1,1,0,0,0,0|0,0,0]=2 36 B8R0.28 C=C(Cl)CCCC(=O)O C15670 [1,1,0,0,0,0|0,0,2]=4 37 B8R0.28 O=C(O)CCCC(=O)O G18793 [1,1,0,0,0,0|1,0,1]=4 38 B10R0.57 COC(=O)[C@@H](N)CCC(=O)O G6326 [0,2,0,0,0,0|1,0,1]=4 39 B10R0.57 COC(=O)[C@@H](N)CCC(N)=O G8874 [0,2,0,0,0,0|1,0,1]=4 40 B10R0.57 COC(=O)[C@H](N)CCC(N)=O G8875 [0,2,0,0,0,0|1,0,1]=4 41 B10R0.59 COC(=O)CNCC(=O)OC D8917 [0,2,0,0,0,0|1,0,1]=4 42 B10R0.2 CCOC(=O)C[C@H](O)CC#N E2621 [0,2,0,0,0,0|1,0,1]=4 43 B10R0.19 CCOC(=O)[C@@H](N)CCSC M5409 [0,2,0,0,0,0|1,0,0]=3 44 B10R0.19 CCOC(=O)[C@H](N)CCSC M6334 [0,2,0,0,0,0|1,0,0]=3 45 B8R1.2 CNC1CCCCC1 M18798 [1,0,0,1,0,0|1,0,1]=4 46 B8R1.2 COC1CCCNC1 M14733 [1,0,0,1,0,0|1,0,1]=4 47 B8R1.3 CN1CCC(=O)CC1 M3185 [1,0,0,1,0,0|2,0,0]=4 48 B8R1.3 O=C1CCC(O)CC1 H15821 [1,0,0,1,0,0|2,0,0]=4 49 B8R1.3 O=C1CC[C@H](O)CN1 H14910 [1,0,0,1,0,0|2,0,0]=4 50 B8R1.38 COC(=O)C1CCN1 M19139 [1,0,0,1,0,0|1,0,0]=3 51 B8R1.7 N=C(N)C1CCCC1 C13017 [1,0,0,1,0,0|2,0,0]=4 52 B8R1.7 NC(=O)[C@@H]1CCCN1 P2995 [1,0,0,1,0,0|2,0,0]=4 53 B8R1.7 O=C(O)C1CC=CC1 C3045 [1,0,0,1,0,0|0,0,2]=4 54 B8R1.7 O=C(O)C1CCCN1 P6294 [1,0,0,1,0,0|1,0,0]=3 55 B8R1.7 O=C(O)C1CCNC1 P12835 [1,0,0,1,0,0|1,0,0]=3 56 B8R1.7 O=C(O)C1CCOC1 T15197 [1,0,0,1,0,0|1,0,0]=3 57 B8R1.7 O=C(O)[C@@H]1CCCO1 T3062 [1,0,0,1,0,0|1,0,0]=3 58 B8R1.7 O=C(O)[C@@H]1CSCN1 T17736 [1,0,0,1,0,0|2,0,0]=4 59 B8R1.7 O=C(O)[C@H]1CCCN1 P0396 [1,0,0,1,0,0|1,0,0]=3 60 B8R1.7 O=C(O)[C@H]1CCCN1 P0396 [1,0,0,1,0,0|1,0,0]=3 61 B8R1.7 O=C(O)[C@H]1CCCO1 T6625 [1,0,0,1,0,0|1,0,0]=3 62 B8R1.7 O=C(O)[C@H]1CCCO1 T6625 [1,0,0,1,0,0|1,0,0]=3 63 B8R1.43 NCC1CC1C(=O)O A12911 [1,0,0,1,0,0|1,0,0]=3 64 B10R1.14 COC(=O)[C@@H]1CCC(=O)N1 P6314 [0,1,0,1,0,0|1,0,1]=4 65 B10R1.14 COC(=O)[C@@H]1CCC(=O)N1 P6314 [0,1,0,1,0,0|1,0,1]=4 66 B10R1.14 COC(=O)[C@@H]1C[C@@H](O)CN1 H8259 [0,1,0,1,0,0|1,0,0]=3 67 B10R1.14 COC(=O)[C@H]1CCC(=O)N1 P7358 [0,1,0,1,0,0|1,0,1]=4 68 B10R1.29 CCCCN1CCCC1=O B18734 [0,1,0,1,0,0|2,0,0]=4 69 B10R1.15 COC(=O)C1CCCCN1 M11624 [0,1,0,1,0,0|0,0,0]=2 70 B10R1.15 COC(=O)C1CCCNC1 P15955 [0,1,0,1,0,0|0,0,0]=2 71 B10R1.15 COC(=O)C1CCNCC1 M11619 [0,1,0,1,0,0|0,0,0]=2 72 B10R1.15 COC(=O)C1CCNCC1 M11619 [0,1,0,1,0,0|0,0,0]=2 73 B10R1.15 COC(=O)C1CNCCN1 P11655 [0,1,0,1,0,0|1,0,0]=3 74 B10R1.15 COC(=O)C1CNCCN1 P17147 [0,1,0,1,0,0|1,0,0]=3 75 B10R1.15 COC(=O)C1CNCCN1 P17147 [0,1,0,1,0,0|1,0,0]=3 76 B10R1.15 COC(=O)C1COCCN1 M13385 [0,1,0,1,0,0|1,0,0]=3 77 B10R1.15 COC(=O)[C@H]1CCCNC1 M10946 [0,1,0,1,0,0|0,0,0]=2 78 B10R1.15 COC(=O)[C@H]1CCCNC1 M18788 [0,1,0,1,0,0|0,0,0]=2 79 B10R1.15 COC(=O)[C@H]1CCCNC1 M18788 [0,1,0,1,0,0|0,0,0]=2 80 B10R1.15 COC(=O)[C@H]1COCCN1 M13391 [0,1,0,1,0,0|1,0,0]=3 81 B10R1.275 CN1CCCC[C@H](N)C1=O A15399 [0,1,0,1,0,0|1,0,0]=3 82 B10R1.411 COC(=O)C1(N)CCCC1 M13175 [0,1,0,1,0,0|0,0,0]=2 83 B10R1.473 CCC1(C)COC(=O)OC1 E17050 [0,1,0,1,0,0|1,0,0]=3