0 B6R0.6 CCCCCCBr S19038 [0,0,0,0,0,0|3,0,0]=3 1 B6R0.6 ICCOCCI I12663 [0,0,0,0,0,0|3,0,0]=3 2 B5R0.2 CNCCCN M14932 [1,0,0,0,0,0|2,0,0]=3 3 B5R0.2 N#CCCNN C12725 [1,0,0,0,0,0|1,0,2]=4 4 B5R0.2 NCCCCO A18122 [1,0,0,0,0,0|1,0,0]=2 5 B5R0.2 OCCCCBr B18469 [1,0,0,0,0,0|2,0,0]=3 6 B7R0.3 C=CCCC(O)CN A13885 [0,1,0,0,0,0|2,0,1]=4 7 B7R0.3 CCCCC(O)CN A13447 [0,1,0,0,0,0|2,0,0]=3 8 B7R0.3 CCOCC(O)CN A15120 [0,1,0,0,0,0|3,0,0]=4 9 B7R0.4 CCCCCC(=N)N H14019 [0,1,0,0,0,0|2,0,1]=4 10 B7R0.4 N=C(N)CCCCCl C16515 [0,1,0,0,0,0|2,0,1]=4 11 B7R0.7 CN(CCCl)CCCl M19067 [0,1,0,0,0,0|2,0,0]=3 12 B7R1.1 BrCC1CCCC1 B18461 [0,0,0,1,0,0|3,0,0]=4 13 B7R1.1 CCC1CCCN1 E15991 [0,0,0,1,0,0|2,0,0]=3 14 B7R1.1 NCC1CCNC1 P13897 [0,0,0,1,0,0|3,0,0]=4 15 B7R1.1 NC[C@H]1CCCO1 T11002 [0,0,0,1,0,0|2,0,0]=3 16 B7R1.1 OC[C@@H]1CCCN1 P2200 [0,0,0,1,0,0|2,0,0]=3 17 B7R1.1 OC[C@H]1CCCN1 P6137 [0,0,0,1,0,0|2,0,0]=3 18 B7R1.1 OC[C@H]1CCCN1 P6137 [0,0,0,1,0,0|2,0,0]=3 19 B7R1.3 BrC1CCCCN1 B7610 [0,0,0,1,0,0|2,0,0]=3 20 B7R1.3 BrC1CCCNC1 B7611 [0,0,0,1,0,0|2,0,0]=3 21 B7R1.3 CC1CCCCN1 M6451 [0,0,0,1,0,0|2,0,0]=3 22 B7R1.3 CC1CCCNC1 P3032 [0,0,0,1,0,0|2,0,0]=3 23 B7R1.3 C[C@@H]1CNCCN1 R6055 [0,0,0,1,0,0|1,0,0]=2 24 B7R1.3 C[C@H]1CCCCN1 M3041 [0,0,0,1,0,0|2,0,0]=3 25 B7R1.3 NC1CCCNC1 A11018 [0,0,0,1,0,0|1,0,0]=2 26 B7R1.3 NC1CCCNC1 P19410 [0,0,0,1,0,0|1,0,0]=2 27 B7R1.3 NC1CCCNC1 P7273 [0,0,0,1,0,0|1,0,0]=2 28 B7R1.3 NC1CCNCC1 A2317 [0,0,0,1,0,0|3,0,0]=4 29 B7R1.3 NC1CCNCC1 A8187 [0,0,0,1,0,0|3,0,0]=4 30 B7R1.3 NC1CCOCC1 A16695 [0,0,0,1,0,0|3,0,0]=4 31 B7R1.3 NC1CCOCC1 T11516 [0,0,0,1,0,0|3,0,0]=4 32 B7R1.3 NN1CCCCC1 A3686 [0,0,0,1,0,0|3,0,0]=4 33 B7R1.3 N[C@@H]1CCCNC1 A3658 [0,0,0,1,0,0|1,0,0]=2 34 B7R1.3 N[C@H]1CCCNC1 A11799 [0,0,0,1,0,0|1,0,0]=2 35 B7R1.3 O=C1CNCCN1 P12440 [0,0,0,1,0,0|1,0,1]=3 36 B7R1.3 OC1CCCNC1 H6045 [0,0,0,1,0,0|2,0,0]=3 37 B7R1.3 OC1CCCNC1 P11038 [0,0,0,1,0,0|2,0,0]=3 38 B7R1.3 O[C@@H]1CCCNC1 R6046 [0,0,0,1,0,0|2,0,0]=3 39 B7R1.3 O[C@@H]1CCCNC1 R6046 [0,0,0,1,0,0|2,0,0]=3 40 B7R1.3 O[C@H]1CCCNC1 P3031 [0,0,0,1,0,0|2,0,0]=3 41 B7R1.4 N[C@@H]1CCC[C@H]1O A4082 [0,0,0,1,0,0|2,0,0]=3 42 B7R1.4 N[C@@H]1CCC[C@H]1O A4082 [0,0,0,1,0,0|2,0,0]=3 43 B7R1.4 N[C@H]1CCC[C@@H]1O A13715 [0,0,0,1,0,0|2,0,0]=3 44 B7R1.4 N[C@H]1COC[C@@H]1O A15394 [0,0,0,1,0,0|2,0,0]=3 45 B4R0.2 BrCCCBr D18864 [2,0,0,0,0,0|2,0,0]=4 46 B4R0.2 NCCCCl C18780 [2,0,0,0,0,0|1,0,0]=3 47 B4R0.2 NCCCO A18882 [2,0,0,0,0,0|1,0,0]=3 48 B4R0.2 NNCCO H13045 [2,0,0,0,0,0|1,0,0]=3 49 B6R0.1 C=CC(O)CCN A15818 [1,1,0,0,0,0|1,0,1]=4 50 B6R0.1 CCCC(N)CO A18883 [1,1,0,0,0,0|2,0,0]=4 51 B6R0.1 CCOC(=O)CN A14488 [1,1,0,0,0,0|1,0,1]=4 52 B6R0.1 COCC(O)CN A13295 [1,1,0,0,0,0|2,0,0]=4 53 B6R0.1 COC[C@H](O)CN A15357 [1,1,0,0,0,0|2,0,0]=4 54 B6R0.1 OCC[C@@H](O)CO B7203 [1,1,0,0,0,0|2,0,0]=4 55 B6R0.4 CN(C)CCCN D2364 [1,1,0,0,0,0|2,0,0]=4 56 B6R0.4 N=C(N)NCCS M17502 [1,1,0,0,0,0|1,0,1]=4 57 B6R0.4 NCCCC(=O)O A19243 [1,1,0,0,0,0|1,0,1]=4 58 B8R0.7 CCCCCCC(=N)N H13000 [0,2,0,0,0,0|2,0,0]=4 59 B8R0.22 O=NN(CCO)CCO N14437 [0,2,0,0,0,0|2,0,0]=4 60 B6R1.1 C1COCCN1 M12430 [1,0,0,1,0,0|1,0,0]=3 61 B6R1.1 C1CSCCN1 T4979 [1,0,0,1,0,0|1,0,0]=3 62 B6R1.2 CC1CCNC1 M17094 [1,0,0,1,0,0|1,0,0]=3 63 B6R1.2 C[C@@H]1CCCN1 M7218 [1,0,0,1,0,0|1,0,0]=3 64 B6R1.2 C[C@H]1CCCN1 M3036 [1,0,0,1,0,0|1,0,0]=3 65 B6R1.2 F[C@H]1CCNC1 F12344 [1,0,0,1,0,0|1,0,0]=3 66 B6R1.2 N[C@@H]1CCNC1 A13883 [1,0,0,1,0,0|0,0,0]=2 67 B6R1.2 N[C@@H]1CCNC1 P6035 [1,0,0,1,0,0|0,0,0]=2 68 B6R1.2 N[C@H]1CCNC1 A6036 [1,0,0,1,0,0|0,0,0]=2 69 B6R1.2 N[C@H]1CCOC1 A19174 [1,0,0,1,0,0|1,0,0]=3 70 B6R1.2 O[C@@H]1CCNC1 P4795 [1,0,0,1,0,0|1,0,0]=3 71 B6R1.2 O[C@@H]1CCNC1 P4796 [1,0,0,1,0,0|1,0,0]=3 72 B6R1.2 O[C@@H]1CCOC1 H7200 [1,0,0,1,0,0|2,0,0]=4 73 B6R1.2 O[C@H]1CCNC1 H6043 [1,0,0,1,0,0|1,0,0]=3 74 B6R1.2 O[C@H]1CCNC1 H6043 [1,0,0,1,0,0|1,0,0]=3 75 B6R1.2 O[C@H]1CCNC1 P6678 [1,0,0,1,0,0|1,0,0]=3 76 B6R1.2 O[C@H]1CCOC1 H2612 [1,0,0,1,0,0|2,0,0]=4 77 B6R1.3 NCCC1CC1 C14004 [1,0,0,1,0,0|1,0,0]=3 78 B6R1.3 NOCC1CC1 C2245 [1,0,0,1,0,0|2,0,0]=4 79 B6R1.4 CN1CCC1N A18235 [1,0,0,1,0,0|2,0,0]=4 80 B6R1.6 OC[C@@H]1CCN1 A19140 [1,0,0,1,0,0|1,0,0]=3 81 B8R1.2 CCC1CCCCN1 E3360 [0,1,0,1,0,0|2,0,0]=4 82 B8R1.2 CCC1CNCCN1 E5557 [0,1,0,1,0,0|1,0,0]=3 83 B8R1.2 CCC1CNCCO1 E17046 [0,1,0,1,0,0|2,0,0]=4 84 B8R1.2 CNC1CCCCC1 M18798 [0,1,0,1,0,0|2,0,0]=4 85 B8R1.2 CNC1CCCNC1 M8469 [0,1,0,1,0,0|1,0,0]=3 86 B8R1.2 COC1CCCNC1 M14733 [0,1,0,1,0,0|2,0,0]=4 87 B8R1.2 N#CC1CCCCN1 C18890 [0,1,0,1,0,0|1,0,1]=4 88 B8R1.2 N#CC1CCCNC1 P12459 [0,1,0,1,0,0|1,0,1]=4 89 B8R1.2 NCC1CCCCN1 A4969 [0,1,0,1,0,0|1,0,0]=3 90 B8R1.2 NCC1CCCNC1 A18064 [0,1,0,1,0,0|1,0,0]=3 91 B8R1.2 NCC1CCCNC1 A1819 [0,1,0,1,0,0|1,0,0]=3 92 B8R1.2 NCC1CCNCC1 A10917 [0,1,0,1,0,0|2,0,0]=4 93 B8R1.2 NCC1CCOCC1 A18185 [0,1,0,1,0,0|2,0,0]=4 94 B8R1.2 NCC1CNCCO1 M17098 [0,1,0,1,0,0|1,0,0]=3 95 B8R1.2 OCC1CCCCN1 P11278 [0,1,0,1,0,0|2,0,0]=4 96 B8R1.2 OCC1CCCNC1 P11620 [0,1,0,1,0,0|2,0,0]=4 97 B8R1.2 OCC1CNCCN1 H17068 [0,1,0,1,0,0|1,0,0]=3 98 B8R1.2 OCC1CNCCO1 H13089 [0,1,0,1,0,0|2,0,0]=4 99 B8R1.2 OC[C@H]1CNCCO1 H16873 [0,1,0,1,0,0|2,0,0]=4 100 B8R1.5 CC1CCCCC1N M11246 [0,1,0,1,0,0|2,0,0]=4 101 B8R1.5 CC1CNCCC1=O M11274 [0,1,0,1,0,0|2,0,0]=4 102 B8R1.5 CC1CNCCC1=O M19160 [0,1,0,1,0,0|2,0,0]=4 103 B8R1.5 CC1NCCNC1=O M17109 [0,1,0,1,0,0|1,0,1]=4 104 B8R1.5 CC1NCCNC1C D17036 [0,1,0,1,0,0|1,0,0]=3 105 B8R1.5 N[C@@H]1CCCC[C@H]1N D4772 [0,1,0,1,0,0|1,0,0]=3 106 B8R1.5 N[C@H]1CCCC[C@@H]1N D4771 [0,1,0,1,0,0|1,0,0]=3 107 B8R1.5 N[C@H]1CCCNC1=O A18130 [0,1,0,1,0,0|1,0,1]=4 108 B8R1.5 [C@@H]1(N)CCCC[C@H]1N O5561 [0,1,0,1,0,0|1,0,0]=3 109 B8R1.5 [C@@H]1(N)CCCC[C@H]1N O5561 [0,1,0,1,0,0|1,0,0]=3 110 B8R1.8 CCCC1CCCN1 P17208 [0,1,0,1,0,0|2,0,0]=4 111 B8R1.8 ClCCN1CCCC1 C7818 [0,1,0,1,0,0|2,0,0]=4 112 B8R1.8 OCC[C@@H]1CCCN1 P17212 [0,1,0,1,0,0|2,0,0]=4 113 B8R1.11 CC1CNCC1CN M13842 [0,1,0,1,0,0|1,0,0]=3 114 B8R1.11 CN1CCC[C@H]1CO M11607 [0,1,0,1,0,0|2,0,0]=4 115 B8R1.22 CC1CCNCCN1 M15502 [0,1,0,1,0,0|1,0,0]=3 116 B8R1.22 CN1CCCNCC1 M3447 [0,1,0,1,0,0|1,0,0]=3 117 B8R1.22 NC1CCCCNC1 A18228 [0,1,0,1,0,0|1,0,0]=3 118 B8R1.36 CCCNCC1CC1 P2232 [0,1,0,1,0,0|2,0,0]=4 119 B8R1.3 BrC1CCC(Br)NC1 B10767 [0,1,0,1,0,0|2,0,0]=4 120 B8R1.3 C[C@H]1CC[C@H](N)CC1 M17931 [0,1,0,1,0,0|2,0,0]=4 121 B8R1.3 C[C@H]1CC[C@H](N)CC1 M6135 [0,1,0,1,0,0|2,0,0]=4 122 B8R1.3 C[C@H]1CN[C@H](C)CN1 D3385 [0,1,0,1,0,0|1,0,0]=3 123 B8R1.3 NC1CCC(O)CC1 A0964 [0,1,0,1,0,0|2,0,0]=4 124 B8R1.3 N[C@H]1CC[C@H](O)CC1 A2772 [0,1,0,1,0,0|2,0,0]=4 125 B8R1.3 N[C@H]1CC[C@H](O)CC1 A2772 [0,1,0,1,0,0|2,0,0]=4 126 B8R1.52 NCC1(O)CCCC1 A18984 [0,1,0,1,0,0|2,0,0]=4 127 B8R1.4 BrC1CCCC(Br)N1 D10769 [0,1,0,1,0,0|2,0,0]=4 128 B8R1.4 BrC1CNCC(Br)C1 B10768 [0,1,0,1,0,0|2,0,0]=4 129 B8R1.4 CC1CNCC(C)C1 L11275 [0,1,0,1,0,0|2,0,0]=4 130 B8R1.4 CC1CNCC(C)N1 D0949 [0,1,0,1,0,0|1,0,0]=3 131 B8R1.4 C[C@H]1CNC[C@@H](C)N1 D11681 [0,1,0,1,0,0|1,0,0]=3 132 B8R1.4 C[C@H]1CNC[C@@H](C)O1 D6725 [0,1,0,1,0,0|2,0,0]=4 133 B8R1.7 NC(=O)[C@@H]1CCCN1 P2995 [0,1,0,1,0,0|1,0,1]=4 134 B8R1.72 CC1(C)CNCCN1 D17037 [0,1,0,1,0,0|1,0,0]=3 135 B8R1.72 CC1(C)COCCN1 D17020 [0,1,0,1,0,0|2,0,0]=4