0 B7R1.3 BrC1CCOCC1 HY-W003396 [0,0,0,0,0,0|3,0,0]=3 1 B7R1.3 CC1CCOCO1 HY-W111914 [0,0,0,0,0,0|2,0,0]=2 2 B7R1.3 C[C@@H]1CNCCN1 HY-34767 [0,0,0,0,0,0|1,0,0]=1 3 B7R1.3 O=C1C=CCCN1 HY-W006454 [0,0,0,0,0,0|1,0,3]=4 4 B7R1.3 O=C1CCCCN1 HY-W042193 [0,0,0,0,0,0|1,0,1]=2 5 B7R1.3 O=C1CCCCO1 HY-W012997 [0,0,0,0,0,0|2,0,1]=3 6 B7R1.3 O=C1CCOCC1 HY-76487 [0,0,0,0,0,0|3,0,1]=4 7 B7R1.3 O=C1CCSCC1 HY-W002007 [0,0,0,0,0,0|3,0,1]=4 8 B7R1.3 O=C1CNCCN1 HY-20128 [0,0,0,0,0,0|2,0,1]=3 9 B7R1.3 OC1CCCCC1 HY-Y1217 [0,0,0,0,0,0|2,0,0]=2 10 B6R1.1 C1CSCCN1 HY-W007359 [1,0,0,0,0,0|1,0,0]=2 11 B6R1.1 C1CSCSC1 HY-W001189 [1,0,0,0,0,0|2,0,0]=3 12 B8R1.2 OCC1CCC=CO1 HY-34692 [0,1,0,0,0,0|1,0,2]=4 13 B8R1.2 OCC1CCCCO1 HY-115051 [0,1,0,0,0,0|1,0,0]=2 14 B8R1.2 OCC1CCOCC1 HY-79631 [0,1,0,0,0,0|2,0,0]=3 15 B8R1.3 CN1CCC(O)CC1 HY-W018626 [0,1,0,0,0,0|2,0,0]=3 16 B8R1.3 C[C@H]1CC[C@H](N)CC1 HY-W010538 [0,1,0,0,0,0|1,0,0]=2 17 B8R1.3 NC1CCC(N)CC1 HY-W007732B [0,1,0,0,0,0|2,0,0]=3 18 B8R1.3 N[C@H]1CC[C@H](O)CC1 HY-79722 [0,1,0,0,0,0|2,0,0]=3 19 B8R1.3 OC1COC(O)CO1 HY-W004661 [0,1,0,0,0,0|3,0,0]=4 20 B8R1.4 CC1CCCC(C)N1 HY-B1191 [0,1,0,0,0,0|0,0,0]=1 21 B8R1.4 CC1CCN=C(N)C1 HY-138564 [0,1,0,0,0,0|1,0,2]=4 22 B8R1.4 O=C1CCCC(=O)N1 HY-I0466 [0,1,0,0,0,0|1,0,2]=4 23 B8R1.5 CC1CCCCC1=O HY-W010549 [0,1,0,0,0,0|1,0,0]=2 24 B8R1.5 NC1CCCNC1=O HY-21088 [0,1,0,0,0,0|1,0,1]=3 25 B8R1.5 N[C@@H]1CCCC[C@H]1N HY-41957 [0,1,0,0,0,0|2,0,0]=3 26 B8R1.5 N[C@H]1CCCNC1=O HY-W003592A [0,1,0,0,0,0|1,0,1]=3 27 B8R1.5 O=C1CCCCC1=O HY-W007347 [0,1,0,0,0,0|2,0,1]=4 28 B8R1.5 O[C@@H]1CCCC[C@H]1O HY-W010514 [0,1,0,0,0,0|2,0,0]=3 29 B8R1.72 C[N+]1(C)CCCCC1 HY-W017448 [0,1,0,0,0,0|2,0,0]=3 30 B8R1.72 C[N+]1([O-])CCOCC1 HY-Y1101B [0,1,0,0,0,0|3,0,0]=4 31 B8R1.72 FC1(F)CCNCC1 HY-W001440 [0,1,0,0,0,0|3,0,0]=4 32 B6R0.4 CC(C)CCCO HY-W007511 [0,0,1,0,0,0|2,0,0]=3 33 B6R0.4 CCCCB(O)O HY-W000932 [0,0,1,0,0,0|3,0,0]=4 34 B6R0.4 CCCCC(N)=O HY-W144037 [0,0,1,0,0,0|1,0,1]=3 35 B6R0.4 CN(C)CCCCl HY-W018789 [0,0,1,0,0,0|3,0,0]=4 36 B6R0.6 BrCCOCCBr HY-W013458 [0,0,1,0,0,0|3,0,0]=4 37 B6R0.6 C#CCOCCN HY-116069 [0,0,1,0,0,0|1,0,2]=4 38 B6R0.6 C(CO)=CCCC HY-W015936 [0,0,1,0,0,0|1,0,2]=4 39 B6R0.6 C=CCCCCO HY-W012995 [0,0,1,0,0,0|1,0,2]=4 40 B6R0.6 CCCCCCO HY-W032022 [0,0,1,0,0,0|1,0,0]=2 41 B6R0.6 CC\C=C/CCO HY-W010607 [0,0,1,0,0,0|1,0,2]=4 42 B6R0.6 ClCCNCCCl HY-Y0881 [0,0,1,0,0,0|3,0,0]=4 43 B6R0.6 NCCCCCN HY-W016750 [0,0,1,0,0,0|1,0,0]=2 44 B6R0.6 NCCCCCO HY-W012971 [0,0,1,0,0,0|1,0,0]=2 45 B6R0.6 NCCOCCN HY-140208 [0,0,1,0,0,0|2,0,0]=3 46 B6R0.6 NCCOCCN HY-140648 [0,0,1,0,0,0|2,0,0]=3 47 B6R0.6 OCCOCCBr HY-141213 [0,0,1,0,0,0|3,0,0]=4 48 B6R0.6 OCCOCCO HY-B1952 [0,0,1,0,0,0|3,0,0]=4 49 B6R0.6 SCCOCCS HY-145485 [0,0,1,0,0,0|3,0,0]=4 50 B6R0.6 [N-]=[N+]=NCCCN HY-151862 [0,0,1,0,0,0|3,0,0]=4 51 B6R1.2 CN1CCCC1 HY-128383 [0,0,0,0,1,0|1,0,0]=2 52 B6R1.2 F[C@@H]1CCNC1 HY-40421 [0,0,0,0,1,0|2,0,0]=3 53 B6R1.2 N=C1CCCS1 HY-W015798 [0,0,0,0,1,0|2,0,1]=4 54 B6R1.2 O=C1CCOC1 HY-33900 [0,0,0,0,1,0|2,0,1]=4 55 B6R1.2 O=C1CCSC1 HY-W010594 [0,0,0,0,1,0|2,0,1]=4 56 B6R1.2 O=C1NCCN1 HY-W031536 [0,0,0,0,1,0|2,0,1]=4 57 B6R1.2 O[C@H]1CCOC1 HY-76476 [0,0,0,0,1,0|2,0,0]=3 58 B6R1.2 SC1=NCCN1 HY-W010593 [0,0,0,0,1,0|2,0,1]=4 59 B8R1.22 O=C1CCCCCN1 HY-W010542 [0,0,0,0,0,1|1,0,1]=3 60 B8R1.22 O=C1CCCCCO1 HY-W015891 [0,0,0,0,0,1|2,0,1]=4 61 B8R1.22 O=C1CCCCCO1 HY-W392100B [0,0,0,0,0,1|2,0,1]=4 62 B8R1.22 O=C1CCCNCC1 HY-W001845 [0,0,0,0,0,1|2,0,1]=4 63 B5R0.1 CC(N)CC#N HY-W018936 [1,0,1,0,0,0|1,0,1]=4 64 B5R0.1 CC(O)CCO HY-77490A [1,0,1,0,0,0|2,0,0]=4 65 B5R0.1 CCCC(N)=O HY-W088319 [1,0,1,0,0,0|1,0,1]=4 66 B5R0.1 C[C@@H](O)CCO HY-77490 [1,0,1,0,0,0|2,0,0]=4 67 B5R0.2 CCCSSC HY-N7436 [1,0,1,0,0,0|2,0,0]=4 68 B5R0.2 CCSCCCl HY-W199190 [1,0,1,0,0,0|2,0,0]=4 69 B5R0.2 NCCCCO HY-W002041 [1,0,1,0,0,0|1,0,0]=3 70 B5R0.3 CCC(C)C=O HY-W020678 [1,0,1,0,0,0|1,0,1]=4 71 B7R0.2 CCC(C)CC(C)N HY-W015593 [0,1,1,0,0,0|1,0,0]=3 72 B7R0.2 CCC(C)OC(C)=O HY-158759 [0,1,1,0,0,0|1,0,1]=4 73 B7R0.5 CCCC(C)C(=O)O HY-W010516 [0,1,1,0,0,0|2,0,0]=4 74 B7R0.10 [C@H](C)(CC)[C@H](N)CO HY-W015875 [0,1,1,0,0,0|2,0,0]=4 75 B7R0.4 CCCCCC(C)N HY-B0952 [0,1,1,0,0,0|0,0,0]=2 76 B7R0.4 CCCCCC(C)O HY-W015879 [0,1,1,0,0,0|1,0,0]=3 77 B7R0.8 CC(C)(C)OCCN HY-W154207 [0,1,1,0,0,0|2,0,0]=4 78 B7R0.8 CCCCC(C)(C)O HY-W111893 [0,1,1,0,0,0|1,0,0]=3 79 B7R0.1 C#CCCCCCBr HY-W459522 [0,1,1,0,0,0|1,0,1]=4 80 B7R0.1 CCCCCCCO HY-W099504 [0,1,1,0,0,0|1,0,0]=3 81 B7R0.1 CCCSSCCC HY-W196803 [0,1,1,0,0,0|2,0,0]=4 82 B7R0.1 COCCOCCN HY-140675 [0,1,1,0,0,0|1,0,0]=3 83 B7R0.1 COCCOCCN HY-140676 [0,1,1,0,0,0|1,0,0]=3 84 B7R0.1 COCCOCCN HY-140677 [0,1,1,0,0,0|1,0,0]=3 85 B7R0.1 COCCOCCN HY-140678 [0,1,1,0,0,0|1,0,0]=3 86 B7R0.1 COCCOCCN HY-140679 [0,1,1,0,0,0|1,0,0]=3 87 B7R0.1 COCCOCCN HY-155881 [0,1,1,0,0,0|1,0,0]=3 88 B7R0.1 COCCOCCN HY-155882 [0,1,1,0,0,0|1,0,0]=3 89 B7R0.1 COCCOCCN HY-W008429 [0,1,1,0,0,0|1,0,0]=3 90 B7R0.1 COCCOCCN HY-W598230A [0,1,1,0,0,0|1,0,0]=3 91 B7R0.1 COCCOCCO HY-140696 [0,1,1,0,0,0|2,0,0]=4 92 B7R0.1 COCCOCCO HY-140696B [0,1,1,0,0,0|2,0,0]=4 93 B7R0.1 COCCOCCO HY-140696D [0,1,1,0,0,0|2,0,0]=4 94 B7R0.1 COCCOCCO HY-140696E [0,1,1,0,0,0|2,0,0]=4 95 B7R0.1 COCCOCCO HY-W012862 [0,1,1,0,0,0|2,0,0]=4 96 B7R0.1 COCCOCCS HY-140706 [0,1,1,0,0,0|2,0,0]=4 97 B7R0.1 COCCOCCS HY-140708 [0,1,1,0,0,0|2,0,0]=4 98 B7R0.1 COCCOCCS HY-W591476 [0,1,1,0,0,0|2,0,0]=4 99 B7R0.1 COCCOCCS HY-W591476B [0,1,1,0,0,0|2,0,0]=4 100 B7R0.1 COCCOCCS HY-W591476C [0,1,1,0,0,0|2,0,0]=4 101 B7R0.1 ClCCCCCCBr HY-W009787 [0,1,1,0,0,0|1,0,0]=3 102 B7R0.1 NCCCCCCO HY-W007957 [0,1,1,0,0,0|0,0,0]=2 103 B7R0.1 NCCCNCCS HY-103640 [0,1,1,0,0,0|1,0,0]=3 104 B7R0.1 NCCCNCCS HY-137864 [0,1,1,0,0,0|1,0,0]=3 105 B7R0.1 NCCOCCON HY-W451406A [0,1,1,0,0,0|2,0,0]=4 106 B7R0.1 NCCOCCON HY-W451406C [0,1,1,0,0,0|2,0,0]=4 107 B7R0.1 NCCSSCCN HY-124476 [0,1,1,0,0,0|2,0,0]=4 108 B7R0.1 NCCSSCCN HY-W020050 [0,1,1,0,0,0|2,0,0]=4 109 B7R0.1 NOCCOCCO HY-126951 [0,1,1,0,0,0|2,0,0]=4 110 B7R0.1 OCCCCCCBr HY-W016455 [0,1,1,0,0,0|1,0,0]=3 111 B7R0.1 OCCCCCCCl HY-41681 [0,1,1,0,0,0|1,0,0]=3 112 B7R0.1 OCCCCCCO HY-W010505 [0,1,1,0,0,0|1,0,0]=3 113 B7R1.1 NC[C@@H]1CCCO1 HY-W010600 [0,1,0,0,1,0|1,0,0]=3 114 B7R1.1 OC[C@@H]1CCCN1 HY-Y1126 [0,1,0,0,1,0|0,0,0]=2 115 B7R1.1 OC[C@@H]1CCNC1 HY-60263 [0,1,0,0,1,0|1,0,0]=3 116 B7R1.2 CC1CCC(=O)O1 HY-W015938 [0,1,0,0,1,0|1,0,1]=4 117 B7R1.2 CN1CCC(O)C1 HY-I0708 [0,1,0,0,1,0|1,0,0]=3 118 B7R1.2 O=C1C[C@H](O)CN1 HY-W002597 [0,1,0,0,1,0|1,0,1]=4 119 B7R1.4 CN1CCCC1=O HY-Y1275 [0,1,0,0,1,0|1,0,1]=4 120 B7R1.4 O[C@@H]1CNC[C@H]1F HY-W062336 [0,1,0,0,1,0|2,0,0]=4 121 B7R1.14 FC1(F)CCNC1 HY-W001466 [0,1,0,0,1,0|2,0,0]=4 122 B7R1.14 O=S1(=O)CCCN1 HY-W001194 [0,1,0,0,1,0|2,0,0]=4 123 B9R1.5 N[C@H]1CCCCNC1=O HY-W015366 [0,1,0,0,0,1|1,0,0]=3 124 B9R1.6 O=C(O)C1CCCCC1 HY-Y1373 [0,2,0,0,0,0|1,0,1]=4 125 B9R1.6 O=C(O)C1CCCCN1 HY-Y0669R [0,2,0,0,0,0|0,0,1]=3 126 B9R1.6 O=C(O)[C@H]1CCCCN1 HY-Y0181 [0,2,0,0,0,0|0,0,1]=3 127 B9R1.6 [C@@H]1(C(=O)O)CCCCN1 HY-W012734 [0,2,0,0,0,0|0,0,1]=3 128 B9R1.8 OCCN1CCCCC1 HY-W012728 [0,2,0,0,0,0|2,0,0]=4 129 B9R1.10 CC1(C)CCC(=O)CC1 HY-W002564 [0,2,0,0,0,0|1,0,1]=4 130 B9R1.10 CC1(O)CCC(=O)CC1 HY-W036733 [0,2,0,0,0,0|1,0,1]=4 131 B9R1.69 CC1CN(C)CCC1=O HY-76718 [0,2,0,0,0,0|2,0,0]=4 132 B9R1.66 CC1(C)CCCC(=O)C1 HY-79034 [0,2,0,0,0,0|1,0,1]=4 133 B5R1.2 FC1CNC1 HY-W001606 [0,0,0,0,2,0|2,0,0]=4 134 B5R1.2 IC1COC1 HY-W016306 [0,0,0,0,2,0|2,0,0]=4 135 B5R1.2 OC1CCC1 HY-W013042 [0,0,0,0,2,0|1,0,0]=3 136 B5R1.2 OC1CNC1 HY-40144 [0,0,0,0,2,0|2,0,0]=4