0 B6R0.6 C#CCCCCN BB31-0286 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.6 CNCCCCCl BB31-7841 [0,0,0,0,0,0|4,0,0]=4 2 B6R0.6 N#CCCCCN BB32-3572 [0,0,0,0,0,0|1,0,2]=3 3 B6R0.6 NCCNCCN BB31-4178 [0,0,0,0,0,0|0,0,0]=0 4 B6R0.6 OCCNCCCl BB31-4678 [0,0,0,0,0,0|2,0,0]=2 5 B6R0.6 OCCOCCI BB31-1660 [0,0,0,0,0,0|3,0,0]=3 6 B5R0.2 C#CCCCBr BB31-4992 [1,0,0,0,0,0|2,0,1]=4 7 B5R0.2 C=CCCCI BB31-6966 [1,0,0,0,0,0|2,0,1]=4 8 B5R0.2 C=CCCCN BB31-4446 [1,0,0,0,0,0|1,0,1]=3 9 B5R0.2 CCSCCN BB31-5588 [1,0,0,0,0,0|1,0,0]=2 10 B5R0.2 N#CCCCN BB32-0548 [1,0,0,0,0,0|0,0,2]=3 11 B5R0.2 OCCCCI BB32-2029 [1,0,0,0,0,0|2,0,0]=3 12 B7R0.1 CCCNCCOC BB31-6246 [0,1,0,0,0,0|2,0,0]=3 13 B7R0.1 N#CCCCCCN BB31-4731 [0,1,0,0,0,0|1,0,1]=3 14 B7R0.1 N#CCCNCCO BB31-8013 [0,1,0,0,0,0|1,0,1]=3 15 B7R0.1 NCCSSCCN BB32-2869 [0,1,0,0,0,0|1,0,0]=2 16 B7R0.4 NC(=O)CCCCO BB31-4574 [0,1,0,0,0,0|2,0,1]=4 17 B7R1.1 C#CC1CCCN1 BB31-1749 [0,0,0,1,0,0|2,0,1]=4 18 B7R1.1 CC[C@@H]1CCCN1 BB32-2574 [0,0,0,1,0,0|2,0,0]=3 19 B7R1.1 FC[C@@H]1CCCN1 BB31-6796 [0,0,0,1,0,0|2,0,0]=3 20 B7R1.1 N#C[C@@H]1CCCN1 BB31-4661 [0,0,0,1,0,0|1,0,2]=4 21 B7R1.1 N#C[C@H]1CCCN1 BB31-7033 [0,0,0,1,0,0|1,0,2]=4 22 B7R1.1 NC[C@@H]1CCOC1 BB31-8725 [0,0,0,1,0,0|3,0,0]=4 23 B7R1.3 C[C@H]1CCCNC1 BB32-0441 [0,0,0,1,0,0|2,0,0]=3 24 B7R1.3 C[C@H]1CNCCO1 BB31-0582 [0,0,0,1,0,0|2,0,0]=3 25 B7R1.3 NC1=NCCCN1 BB32-1452 [0,0,0,1,0,0|2,0,1]=4 26 B7R1.3 N[C@@H]1CCCOC1 BB31-1896 [0,0,0,1,0,0|2,0,0]=3 27 B7R1.3 N[C@H]1CCCOC1 BB31-1067 [0,0,0,1,0,0|2,0,0]=3 28 B7R1.3 O=C1CNCCO1 BB32-2655 [0,0,0,1,0,0|2,0,1]=4 29 B7R1.3 O[C@@H]1CCCOC1 BB31-0149 [0,0,0,1,0,0|3,0,0]=4 30 B7R1.3 S=C1CCCCN1 BB31-1665 [0,0,0,1,0,0|2,0,1]=4 31 B7R1.3 SC1CCCNC1 BB31-1279 [0,0,0,1,0,0|2,0,0]=3 32 B7R1.4 Br[C@@H]1CCC[C@H]1Br BB31-0304 [0,0,0,1,0,0|3,0,0]=4 33 B7R1.4 N[C@@H]1CNC[C@H]1F BB31-1134 [0,0,0,1,0,0|1,0,0]=2 34 B7R1.4 N[C@@H]1COC[C@@H]1O BB32-0460 [0,0,0,1,0,0|2,0,0]=3 35 B7R1.4 N[C@@H]1COC[C@H]1O BB31-5283 [0,0,0,1,0,0|2,0,0]=3 36 B7R1.4 N[C@@H]1COC[C@H]1O BB32-1570 [0,0,0,1,0,0|2,0,0]=3 37 B7R1.4 N[C@H]1CCC[C@H]1N BB31-4642 [0,0,0,1,0,0|1,0,0]=2 38 B7R1.4 N[C@H]1COC[C@@H]1N BB32-2872 [0,0,0,1,0,0|1,0,0]=2 39 B7R1.4 N[C@H]1COC[C@@H]1O BB31-3986 [0,0,0,1,0,0|2,0,0]=3 40 B7R1.4 N[C@H]1COC[C@@H]1O BB32-1041 [0,0,0,1,0,0|2,0,0]=3 41 B7R1.4 O[C@H]1CNC[C@@H]1F BB31-3989 [0,0,0,1,0,0|2,0,0]=3 42 B7R1.6 OCCN1CCC1 BB31-7265 [0,0,0,1,0,0|2,0,0]=3 43 B7R1.7 OCCNC1CC1 BB32-1964 [0,0,0,1,0,0|2,0,0]=3 44 B7R1.9 OC[C@H]1C[C@H]1CO BB31-4235 [0,0,0,1,0,0|3,0,0]=4 45 B4R0.2 NCCON BB32-1546 [2,0,0,0,0,0|1,0,0]=3 46 B6R0.1 C[C@@H](CO)CCN BB31-5417 [1,1,0,0,0,0|1,0,0]=3 47 B6R0.1 OCC[C@H](O)CCl BB31-2429 [1,1,0,0,0,0|2,0,0]=4 48 B6R0.4 CCCCC(=N)N BB31-8730 [1,1,0,0,0,0|1,0,1]=4 49 B6R0.4 NCCNC(N)=O BB32-3910 [1,1,0,0,0,0|0,0,1]=3 50 B8R0.1 COCCN(C)CCO BB32-1044 [0,2,0,0,0,0|2,0,0]=4 51 B8R0.7 CCCCCC[C@H](C)N BB31-5438 [0,2,0,0,0,0|2,0,0]=4 52 B8R0.7 COCCNCC(F)F BB05-4631 [0,2,0,0,0,0|2,0,0]=4 53 B8R0.21 OCCNCC(F)(F)F BB31-4679 [0,2,0,0,0,0|2,0,0]=4 54 B6R1.1 C1=NCCCN1 BB31-3113 [1,0,0,1,0,0|2,0,0]=4 55 B6R1.1 C1CCONC1 BB31-4954 [1,0,0,1,0,0|1,0,0]=3 56 B6R1.1 C1CNCOC1 BB31-2552 [1,0,0,1,0,0|2,0,0]=4 57 B6R1.2 BrC1CCSC1 BB52-7755 [1,0,0,1,0,0|2,0,0]=4 58 B6R1.2 C[C@@H]1CCNC1 BB31-4239 [1,0,0,1,0,0|1,0,0]=3 59 B6R1.2 C[C@H]1CCNC1 BB31-5082 [1,0,0,1,0,0|1,0,0]=3 60 B6R1.2 Cl[C@H]1CCNC1 BB31-9471 [1,0,0,1,0,0|1,0,0]=3 61 B6R1.2 NC1CCSC1 BB52-7752 [1,0,0,1,0,0|1,0,0]=3 62 B6R1.2 OC1CCSC1 BB52-7751 [1,0,0,1,0,0|2,0,0]=4 63 B6R1.2 O[C@@H]1CNOC1 BB31-5422 [1,0,0,1,0,0|2,0,0]=4 64 B6R1.3 BrCCC1CC1 BB31-5305 [1,0,0,1,0,0|2,0,0]=4 65 B6R1.3 CCNC1CC1 BB31-5032 [1,0,0,1,0,0|1,0,0]=3 66 B6R1.3 ICCC1CC1 BB32-1715 [1,0,0,1,0,0|2,0,0]=4 67 B6R1.3 NNCC1CC1 BB31-6121 [1,0,0,1,0,0|2,0,0]=4 68 B6R1.3 NNCC1CC1 BB31-9304 [1,0,0,1,0,0|2,0,0]=4 69 B6R1.3 NOCC1CC1 BB31-6884 [1,0,0,1,0,0|2,0,0]=4 70 B6R1.3 OCC[C@@H]1CO1 BB31-6861 [1,0,0,1,0,0|2,0,0]=4 71 B6R1.6 NNC1CCC1 BB31-0660 [1,0,0,1,0,0|2,0,0]=4 72 B6R1.6 OC[C@@H]1CCN1 BB31-7982 [1,0,0,1,0,0|1,0,0]=3 73 B6R1.6 OC[C@H]1CCN1 BB31-4144 [1,0,0,1,0,0|1,0,0]=3 74 B8R1.2 BrCC1CCCNC1 BB32-0264 [0,1,0,1,0,0|2,0,0]=4 75 B8R1.2 C#CC1CCCNC1 BB31-7363 [0,1,0,1,0,0|2,0,0]=4 76 B8R1.2 CCC1CCCNC1 BB31-8098 [0,1,0,1,0,0|2,0,0]=4 77 B8R1.2 CC[C@@H]1COCCN1 BB31-8706 [0,1,0,1,0,0|2,0,0]=4 78 B8R1.2 CC[C@@H]1COCCN1 BB32-1053 [0,1,0,1,0,0|2,0,0]=4 79 B8R1.2 CO[C@H]1CCCNC1 BB31-5248 [0,1,0,1,0,0|2,0,0]=4 80 B8R1.2 N#C[C@@H]1CCCNC1 BB31-8899 [0,1,0,1,0,0|1,0,1]=4 81 B8R1.2 NC[C@@H]1COCCO1 BB32-0561 [0,1,0,1,0,0|2,0,0]=4 82 B8R1.2 ONC1CCCCC1 BB31-6264 [0,1,0,1,0,0|2,0,0]=4 83 B8R1.5 C[C@@H]1CNCCN1C BB31-0645 [0,1,0,1,0,0|1,0,0]=3 84 B8R1.5 C[C@@H]1CNCCN1C BB32-3303 [0,1,0,1,0,0|1,0,0]=3 85 B8R1.5 C[C@H]1CNCCN1C BB32-2670 [0,1,0,1,0,0|1,0,0]=3 86 B8R1.5 NC1CCCCC1=O BB31-7416 [0,1,0,1,0,0|2,0,0]=4 87 B8R1.5 NC1CCCNC1=O BB52-8540 [0,1,0,1,0,0|1,0,1]=4 88 B8R1.5 N[C@@H]1CCOC[C@H]1F BB31-3963 [0,1,0,1,0,0|2,0,0]=4 89 B8R1.5 N[C@@H]1CCOC[C@H]1O BB31-3182 [0,1,0,1,0,0|2,0,0]=4 90 B8R1.5 N[C@H]1COCC[C@@H]1O BB31-1009 [0,1,0,1,0,0|2,0,0]=4 91 B8R1.5 O[C@@H]1CCNC[C@@H]1F BB31-2789 [0,1,0,1,0,0|2,0,0]=4 92 B8R1.5 O[C@H]1CNCC[C@H]1O BB32-2494 [0,1,0,1,0,0|2,0,0]=4 93 B8R1.8 NCCC1OCCO1 BB31-5553 [0,1,0,1,0,0|2,0,0]=4 94 B8R1.8 OCCC1CCNC1 BB32-3680 [0,1,0,1,0,0|2,0,0]=4 95 B8R1.8 OCCN1CCCC1 BB53-1084 [0,1,0,1,0,0|2,0,0]=4 96 B8R1.22 CC1CCCCCN1 BB32-1446 [0,1,0,1,0,0|2,0,0]=4 97 B8R1.22 NC1=NCCCCC1 BB52-7687 [0,1,0,1,0,0|1,0,1]=4 98 B8R1.22 N[C@@H]1CCCCNC1 BB31-1104 [0,1,0,1,0,0|1,0,0]=3 99 B8R1.22 O=C1CNCCCN1 BB31-5486 [0,1,0,1,0,0|1,0,1]=4 100 B8R1.22 O=C1CNCCCN1 BB31-6324 [0,1,0,1,0,0|1,0,1]=4 101 B8R1.22 OC1CCCNCC1 BB31-0709 [0,1,0,1,0,0|2,0,0]=4 102 B8R1.1 NCC1CCC(=O)N1 BB31-5970 [0,1,0,1,0,0|1,0,1]=4 103 B8R1.1 OC[C@H]1C[C@H](O)CN1 BB31-0253 [0,1,0,1,0,0|2,0,0]=4 104 B8R1.3 C[C@@H]1CO[C@H](C)CN1 BB31-3235 [0,1,0,1,0,0|2,0,0]=4 105 B8R1.3 C[C@H]1CC[C@@H](N)CC1 BB31-5132 [0,1,0,1,0,0|2,0,0]=4 106 B8R1.3 C[C@H]1CN[C@H](C)CO1 BB31-3234 [0,1,0,1,0,0|2,0,0]=4 107 B8R1.3 NC1CCC(=O)NC1 BB31-0976 [0,1,0,1,0,0|1,0,1]=4 108 B8R1.3 N[C@@H]1CCC(=O)NC1 BB31-0068 [0,1,0,1,0,0|1,0,1]=4 109 B8R1.4 CN1CCC[C@H](N)C1 BB31-0661 [0,1,0,1,0,0|1,0,0]=3 110 B8R1.4 C[C@@H]1CN(C)CCN1 BB31-0644 [0,1,0,1,0,0|1,0,0]=3 111 B8R1.4 C[C@@H]1CN(C)CCN1 BB31-9150 [0,1,0,1,0,0|1,0,0]=3 112 B8R1.4 C[C@@H]1CNC[C@@H](C)N1 BB31-3152 [0,1,0,1,0,0|1,0,0]=3 113 B8R1.4 C[C@@H]1CNC[C@H](C)C1 BB31-2797 [0,1,0,1,0,0|2,0,0]=4 114 B8R1.4 C[C@@H]1COC[C@@H](C)N1 BB32-0557 [0,1,0,1,0,0|2,0,0]=4 115 B8R1.4 C[C@@H]1COC[C@@H](C)N1 BB32-3290 [0,1,0,1,0,0|2,0,0]=4 116 B8R1.4 C[C@H]1CC(=O)CCN1 BB32-0051 [0,1,0,1,0,0|2,0,0]=4 117 B8R1.4 C[C@H]1CN(C)CCN1 BB31-0643 [0,1,0,1,0,0|1,0,0]=3 118 B8R1.4 C[C@H]1CNC[C@H](C)O1 BB31-4452 [0,1,0,1,0,0|2,0,0]=4 119 B8R1.4 C[C@H]1COC[C@@H](C)N1 BB32-0573 [0,1,0,1,0,0|2,0,0]=4 120 B8R1.4 N[C@H]1CCC[C@H](O)C1 BB31-1055 [0,1,0,1,0,0|2,0,0]=4 121 B8R1.7 CC(N)C1CCCC1 BB32-0478 [0,1,0,1,0,0|2,0,0]=4 122 B8R1.7 C[C@@H](N)C1CCCC1 BB31-2754 [0,1,0,1,0,0|2,0,0]=4 123 B8R1.35 FC(F)CNC1CC1 BB05-4632 [0,1,0,1,0,0|2,0,0]=4 124 B8R1.72 CC1(C)CNCCO1 BB31-3353 [0,1,0,1,0,0|2,0,0]=4 125 B8R2.34 C1N[C@@H]2CN[C@H]1C2 BB32-2402 [0,0,0,2,0,0|1,0,0]=3 126 B8R2.23 C1OCC2CC1N2 BB31-5314 [0,0,0,2,0,0|2,0,0]=4 127 B8R2.24 C1CC1NC2CC2 BB31-4281 [0,0,0,2,0,0|2,0,0]=4