0 B8R1.22 CC1CCNCCN1 M15502 [0,0,0,0,0,0|2,0,1]=3 1 B8R1.22 CN1CCCNCC1 M3447 [0,0,0,0,0,0|4,0,0]=4 2 B8R1.22 NC1CCCCNC1 A18228 [0,0,0,0,0,0|3,0,1]=4 3 B9R1.5 N[C@H]1CCCCNC1=O A0101 [0,1,0,0,0,0|0,0,0]=1 4 B9R1.89 O\N=C1/CCCNCC1 A14415 [0,1,0,0,0,0|2,0,1]=4 5 B7R0.1 C=CCCCOCCl C12942 [0,0,1,0,0,0|3,0,0]=4 6 B7R0.3 CCCC\C(N)=N/O H14021 [0,0,1,0,0,0|2,0,1]=4 7 B7R0.4 CC(=O)CCCCCl C18888 [0,0,1,0,0,0|2,0,0]=3 8 B7R0.4 CCCCCC(=N)N H14019 [0,0,1,0,0,0|1,0,0]=2 9 B7R0.4 CCOCCC(=N)N E14098 [0,0,1,0,0,0|2,0,0]=3 10 B7R0.4 N=C(N)CCCCCl C16515 [0,0,1,0,0,0|2,0,0]=3 11 B7R0.4 O=C(Cl)CCCCBr B9001 [0,0,1,0,0,0|2,0,0]=3 12 B7R0.7 COCC(=O)COC D12730 [0,0,1,0,0,0|3,0,0]=4 13 B7R0.7 [C-]#[N+]CC(=O)OCC E14341 [0,0,1,0,0,0|2,0,1]=4 14 B9R2.7 O=C1CC2C=CCC12 B18416 [0,0,0,1,0,0|1,0,2]=4 15 B9R2.7 O=C1NC2CCCC12 A12948 [0,0,0,1,0,0|0,0,0]=1 16 B7R1.3 BrC1CCCCN1 B7610 [0,0,0,0,1,0|1,0,1]=3 17 B7R1.3 BrC1CCCNC1 B7611 [0,0,0,0,1,0|2,0,1]=4 18 B7R1.3 CC1CCCCN1 M6451 [0,0,0,0,1,0|1,0,1]=3 19 B7R1.3 CC1CCCNC1 P3032 [0,0,0,0,1,0|2,0,1]=4 20 B7R1.3 CC1CCNCC1 M11273 [0,0,0,0,1,0|2,0,1]=4 21 B7R1.3 CN1CCCCC1 M3042 [0,0,0,0,1,0|2,0,0]=3 22 B7R1.3 CN1CCNCC1 M12431 [0,0,0,0,1,0|3,0,0]=4 23 B7R1.3 CN1CCOCC1 C2066 [0,0,0,0,1,0|3,0,0]=4 24 B7R1.3 C[C@@H]1CNCCN1 R6055 [0,0,0,0,1,0|2,0,1]=4 25 B7R1.3 C[C@H]1CCCCN1 M3041 [0,0,0,0,1,0|1,0,1]=3 26 B7R1.3 ClC1CCNCC1 C7399 [0,0,0,0,1,0|2,0,1]=4 27 B7R1.3 FC1CCNCC1 F12346 [0,0,0,0,1,0|2,0,1]=4 28 B7R1.3 NC1CCCNC1 A11018 [0,0,0,0,1,0|2,0,1]=4 29 B7R1.3 NC1CCCNC1 P19410 [0,0,0,0,1,0|2,0,1]=4 30 B7R1.3 NC1CCCNC1 P7273 [0,0,0,0,1,0|2,0,1]=4 31 B7R1.3 NC1CCNCC1 A2317 [0,0,0,0,1,0|2,0,1]=4 32 B7R1.3 NC1CCNCC1 A8187 [0,0,0,0,1,0|2,0,1]=4 33 B7R1.3 NC1CCOCC1 A16695 [0,0,0,0,1,0|2,0,1]=4 34 B7R1.3 NC1CCOCC1 T11516 [0,0,0,0,1,0|2,0,1]=4 35 B7R1.3 NN1CCCCC1 A3686 [0,0,0,0,1,0|2,0,0]=3 36 B7R1.3 N[C@@H]1CCCNC1 A3658 [0,0,0,0,1,0|2,0,1]=4 37 B7R1.3 N[C@H]1CCCNC1 A11799 [0,0,0,0,1,0|2,0,1]=4 38 B7R1.3 O=C1C=CCCC1 C17765 [0,0,0,0,1,0|0,0,2]=3 39 B7R1.3 O=C1CCNCC1 P3649 [0,0,0,0,1,0|1,0,0]=2 40 B7R1.3 O=C1CCNCC1 P7276 [0,0,0,0,1,0|1,0,0]=2 41 B7R1.3 O=C1CCOCC1 T11055 [0,0,0,0,1,0|1,0,0]=2 42 B7R1.3 O=C1CNCCN1 P12440 [0,0,0,0,1,0|1,0,0]=2 43 B7R1.3 OC1CCCNC1 H6045 [0,0,0,0,1,0|1,0,2]=4 44 B7R1.3 OC1CCCNC1 P11038 [0,0,0,0,1,0|1,0,2]=4 45 B7R1.3 OC1CCNCC1 H0402 [0,0,0,0,1,0|1,0,2]=4 46 B7R1.3 OC1CCNCC1 H0402 [0,0,0,0,1,0|1,0,2]=4 47 B7R1.3 OC1CCNCC1 H5175 [0,0,0,0,1,0|1,0,2]=4 48 B7R1.3 O[C@@H]1CCCNC1 R6046 [0,0,0,0,1,0|1,0,2]=4 49 B7R1.3 O[C@@H]1CCCNC1 R6046 [0,0,0,0,1,0|1,0,2]=4 50 B7R1.3 O[C@H]1CCCNC1 P3031 [0,0,0,0,1,0|1,0,2]=4 51 B6R0.6 CCCCCCBr S19038 [1,0,1,0,0,0|1,0,1]=4 52 B6R0.1 C=CC(=O)CCC H17062 [1,0,1,0,0,0|0,0,2]=4 53 B6R0.1 CCOC(=O)CN A14488 [1,0,1,0,0,0|2,0,0]=4 54 B6R0.1 CNCC(=O)OC M5408 [1,0,1,0,0,0|2,0,0]=4 55 B6R0.4 COCCC(=N)N M13848 [1,0,1,0,0,0|2,0,0]=4 56 B6R0.4 NCCCC(=O)O A19243 [1,0,1,0,0,0|2,0,0]=4 57 B6R0.4 O=C(Cl)CCCCl C18875 [1,0,1,0,0,0|2,0,0]=4 58 B8R0.6 C=CCOCC(O)CN A13297 [0,1,1,0,0,0|2,0,0]=4 59 B8R0.7 CCCCCCC(=N)N H13000 [0,1,1,0,0,0|2,0,0]=4 60 B8R0.3 COC(=O)C(Br)CCBr M18995 [0,1,1,0,0,0|2,0,0]=4 61 B8R0.3 COC(=O)C(Br)CCBr M18995 [0,1,1,0,0,0|2,0,0]=4 62 B8R0.3 COC(=O)C(N)CCBr M13176 [0,1,1,0,0,0|2,0,0]=4 63 B8R0.3 COC(=O)[C@@H](N)CCBr M13187 [0,1,1,0,0,0|2,0,0]=4 64 B8R0.5 CCCC(N)CC(=O)O A14453 [0,1,1,0,0,0|1,0,0]=3 65 B8R1.2 BrCC1CCCCC1 B12603 [0,1,0,0,1,0|1,0,1]=4 66 B8R1.2 CCC1CCCCN1 E3360 [0,1,0,0,1,0|1,0,1]=4 67 B8R1.2 CNC1CCCCC1 M18798 [0,1,0,0,1,0|1,0,1]=4 68 B8R1.2 ClCN1CCCCC1 C5727 [0,1,0,0,1,0|2,0,0]=4 69 B8R1.2 N#CC1CCCCN1 C18890 [0,1,0,0,1,0|1,0,1]=4 70 B8R1.2 NCC1CCCCN1 A4969 [0,1,0,0,1,0|1,0,1]=4 71 B8R1.2 O=NN1CCOCC1 N17202 [0,1,0,0,1,0|2,0,0]=4 72 B8R1.2 OCC1CCCCN1 P11278 [0,1,0,0,1,0|0,0,2]=4 73 B8R1.3 BrC1CCC(Br)NC1 B10767 [0,1,0,0,1,0|1,0,1]=4 74 B8R1.3 CN1CCC(=O)CC1 M3185 [0,1,0,0,1,0|1,0,0]=3 75 B8R1.3 CN1CCC(N)CC1 A7280 [0,1,0,0,1,0|2,0,0]=4 76 B8R1.3 CN1CCC(O)CC1 M3416 [0,1,0,0,1,0|2,0,0]=4 77 B8R1.3 C[C@H]1CC[C@H](N)CC1 M17931 [0,1,0,0,1,0|1,0,1]=4 78 B8R1.3 C[C@H]1CC[C@H](N)CC1 M6135 [0,1,0,0,1,0|1,0,1]=4 79 B8R1.3 NC1CCC(O)CC1 A0964 [0,1,0,0,1,0|0,0,2]=4 80 B8R1.3 N[C@H]1CC[C@H](O)CC1 A2772 [0,1,0,0,1,0|0,0,2]=4 81 B8R1.3 N[C@H]1CC[C@H](O)CC1 A2772 [0,1,0,0,1,0|0,0,2]=4 82 B8R1.3 O=C1CCC(O)CC1 H15821 [0,1,0,0,1,0|0,0,0]=2 83 B8R1.3 O=C1CC[C@H](O)CN1 H14910 [0,1,0,0,1,0|0,0,0]=2 84 B8R1.4 BrC1CCCC(Br)N1 D10769 [0,1,0,0,1,0|1,0,1]=4 85 B8R1.4 NC1=CC(=O)CCC1 A11848 [0,1,0,0,1,0|0,0,2]=4 86 B8R1.4 O=C1C=C(Cl)CCC1 C14310 [0,1,0,0,1,0|0,0,2]=4 87 B8R1.5 CC1CCCCC1N M11246 [0,1,0,0,1,0|1,0,1]=4 88 B8R1.5 CC1CNCCC1=O M11274 [0,1,0,0,1,0|1,0,0]=3 89 B8R1.5 CC1CNCCC1=O M19160 [0,1,0,0,1,0|1,0,0]=3 90 B8R1.5 CC1NCCNC1=O M17109 [0,1,0,0,1,0|1,0,0]=3 91 B8R1.5 N[C@@H]1CCCC[C@H]1N D4772 [0,1,0,0,1,0|1,0,1]=4 92 B8R1.5 N[C@H]1CCCC[C@@H]1N D4771 [0,1,0,0,1,0|1,0,1]=4 93 B8R1.5 N[C@H]1CCCNC1=O A18130 [0,1,0,0,1,0|0,0,0]=2 94 B8R1.5 [C@@H]1(N)CCCC[C@H]1N O5561 [0,1,0,0,1,0|1,0,1]=4 95 B8R1.5 [C@@H]1(N)CCCC[C@H]1N O5561 [0,1,0,0,1,0|1,0,1]=4 96 B8R1.72 O=S1(=O)CCNCC1 T1545 [0,1,0,0,1,0|2,0,0]=4 97 B10R1.275 CN1CCCC[C@H](N)C1=O A15399 [0,2,0,0,0,0|0,0,0]=2 98 B8R1.8 CCCC1CCCN1 P17208 [0,0,1,1,0,0|1,0,1]=4 99 B8R1.8 OCC[C@@H]1CCCN1 P17212 [0,0,1,1,0,0|0,0,2]=4 100 B8R1.11 N#CC1CCCC1=O C17014 [0,0,1,1,0,0|0,0,2]=4 101 B8R1.1 CCC1=NC(C)CN1 E1868 [0,0,1,1,0,0|1,0,0]=3 102 B8R1.1 O=C1CC[C@@H](CBr)N1 B12676 [0,0,1,1,0,0|1,0,0]=3 103 B8R1.1 O=C1CC[C@@H](CO)N1 H12661 [0,0,1,1,0,0|1,0,0]=3 104 B8R1.1 O=C1CC[C@@H](CO)N1 H12661 [0,0,1,1,0,0|1,0,0]=3 105 B8R1.38 COC(=O)C1CCN1 M19139 [0,0,1,1,0,0|2,0,0]=4 106 B8R1.7 N=C(N)C1CCCC1 C13017 [0,0,1,1,0,0|1,0,0]=3 107 B8R1.7 N=C(N)N1CCCC1 P13915 [0,0,1,1,0,0|2,0,0]=4 108 B8R1.7 NC(=O)[C@@H]1CCCN1 P2995 [0,0,1,1,0,0|1,0,0]=3 109 B8R1.7 O=C(O)C1CCCN1 P6294 [0,0,1,1,0,0|2,0,0]=4 110 B8R1.7 O=C(O)C1CCNC1 P12835 [0,0,1,1,0,0|2,0,0]=4 111 B8R1.7 O=C(O)C1CCOC1 T15197 [0,0,1,1,0,0|2,0,0]=4 112 B8R1.7 O=C(O)[C@@H]1CCCO1 T3062 [0,0,1,1,0,0|2,0,0]=4 113 B8R1.7 O=C(O)[C@H]1CCCN1 P0396 [0,0,1,1,0,0|2,0,0]=4 114 B8R1.7 O=C(O)[C@H]1CCCN1 P0396 [0,0,1,1,0,0|2,0,0]=4 115 B8R1.7 O=C(O)[C@H]1CCCO1 T6625 [0,0,1,1,0,0|2,0,0]=4 116 B8R1.7 O=C(O)[C@H]1CCCO1 T6625 [0,0,1,1,0,0|2,0,0]=4 117 B8R1.43 NCC1CC1C(=O)O A12911 [0,0,1,1,0,0|2,0,0]=4 118 B10R2.71 O=C1CC2CCC(C1)N2 N14390 [0,1,0,1,0,0|1,0,0]=3 119 B10R2.71 O=C1CC2CCC(C1)N2 N14390 [0,1,0,1,0,0|1,0,0]=3 120 B6R1.1 C1COCCN1 M12430 [1,0,0,0,1,0|1,0,0]=3 121 B6R1.1 C1CSCCN1 T4979 [1,0,0,0,1,0|1,0,0]=3 122 B6R1.2 C[C@@H]1CCCN1 M7218 [0,0,0,0,2,0|1,0,1]=4 123 B6R1.2 C[C@H]1CCCN1 M3036 [0,0,0,0,2,0|1,0,1]=4 124 B6R1.2 O=C1C=CCC1 C18886 [0,0,0,0,2,0|0,0,2]=4 125 B6R1.2 O=C1CCSC1 T11319 [0,0,0,0,2,0|1,0,0]=3 126 B6R1.2 O=C1CC[NH2+]N1 P12961 [0,0,0,0,2,0|1,0,0]=3 127 B6R1.2 O=C1NCCO1 O11604 [0,0,0,0,2,0|1,0,0]=3