0 B8R1.3 CN1CCC(O)CC1 HY-W018626 [0,0,0,0,0,0|1,0,2]=3 1 B8R1.3 C[C@H]1CC[C@H](N)CC1 HY-W010538 [0,0,0,0,0,0|1,0,1]=2 2 B8R1.3 NC1CCC(N)CC1 HY-W007732B [0,0,0,0,0,0|2,0,1]=3 3 B8R1.3 N[C@H]1CC[C@H](O)CC1 HY-79722 [0,0,0,0,0,0|1,0,2]=3 4 B8R1.3 O=C1CCC(=O)CC1 HY-W010554 [0,0,0,0,0,0|1,0,1]=2 5 B7R1.3 BrC1CCOCC1 HY-W003396 [1,0,0,0,0,0|2,0,0]=3 6 B7R1.3 CC1CCOCO1 HY-W111914 [1,0,0,0,0,0|2,0,0]=3 7 B7R1.3 C[C@@H]1CNCCN1 HY-34767 [1,0,0,0,0,0|2,0,1]=4 8 B7R1.3 O=C1C=CCCN1 HY-W006454 [1,0,0,0,0,0|1,0,2]=4 9 B7R1.3 O=C1CCCCN1 HY-W042193 [1,0,0,0,0,0|1,0,0]=2 10 B7R1.3 O=C1CCCCO1 HY-W012997 [1,0,0,0,0,0|1,0,0]=2 11 B7R1.3 O=C1CCOCC1 HY-76487 [1,0,0,0,0,0|1,0,0]=2 12 B7R1.3 O=C1CCSCC1 HY-W002007 [1,0,0,0,0,0|1,0,0]=2 13 B7R1.3 O=C1CNCCN1 HY-20128 [1,0,0,0,0,0|2,0,0]=3 14 B7R1.3 OC1CCCCC1 HY-Y1217 [1,0,0,0,0,0|0,0,2]=3 15 B9R1.10 CC1(C)CCC(=O)CC1 HY-W002564 [0,1,0,0,0,0|0,0,0]=1 16 B9R1.10 CC1(O)CCC(=O)CC1 HY-W036733 [0,1,0,0,0,0|0,0,0]=1 17 B9R1.69 CC1CN(C)CCC1=O HY-76718 [0,1,0,0,0,0|1,0,0]=2 18 B9R1.69 CC1CNC(=O)NC1=O HY-N6787 [0,1,0,0,0,0|2,0,1]=4 19 B7R0.3 CCCCC(=O)NN HY-W012890 [0,0,1,0,0,0|2,0,0]=3 20 B7R0.3 COC(=O)CCCBr HY-W004701 [0,0,1,0,0,0|2,0,0]=3 21 B7R0.3 COC(=O)CCCN HY-79594 [0,0,1,0,0,0|2,0,0]=3 22 B7R0.6 CC(=O)CCC(=O)O HY-Y0839 [0,0,1,0,0,0|2,0,1]=4 23 B7R0.6 CC(C)CCC(=O)O HY-W015882 [0,0,1,0,0,0|1,0,0]=2 24 B7R0.6 CC(C)CCC(=O)O HY-W015882R [0,0,1,0,0,0|1,0,0]=2 25 B9R2.49 C1CN2CCN1CC2 HY-Y0566 [0,0,0,1,0,0|3,0,0]=4 26 B7R1.2 CC1=CC(=O)CC1 HY-W013014 [0,0,0,0,1,0|0,0,2]=3 27 B7R1.2 CC1=CCC(=O)O1 HY-N0548 [0,0,0,0,1,0|1,0,2]=4 28 B7R1.2 CC1CCC(=O)O1 HY-W015938 [0,0,0,0,1,0|1,0,0]=2 29 B7R1.2 CN1CCC(O)C1 HY-I0708 [0,0,0,0,1,0|1,0,2]=4 30 B7R1.2 O=C1CCC(=O)C1 HY-75355 [0,0,0,0,1,0|1,0,1]=3 31 B7R1.2 O=C1CCC(=O)N1 HY-41877 [0,0,0,0,1,0|2,0,1]=4 32 B7R1.2 O=C1CCC(=O)O1 HY-79369 [0,0,0,0,1,0|2,0,1]=4 33 B7R1.2 O=C1C[C@H](O)CN1 HY-W002597 [0,0,0,0,1,0|2,0,0]=3 34 B6R0.1 CCCC(=O)O[Na] HY-B0350A [1,0,1,0,0,0|2,0,0]=4 35 B6R0.1 CCOC(=O)CN HY-76204 [1,0,1,0,0,0|2,0,0]=4 36 B6R0.1 COC(=O)CCN HY-W007648 [1,0,1,0,0,0|2,0,0]=4 37 B6R0.1 COC(=O)CCO HY-42569 [1,0,1,0,0,0|2,0,0]=4 38 B6R0.4 CC(C)CCCO HY-W007511 [1,0,1,0,0,0|0,0,2]=4 39 B6R0.4 CCCCC(N)=O HY-W144037 [1,0,1,0,0,0|1,0,0]=3 40 B6R0.4 CCNCC(=O)O HY-W141879 [1,0,1,0,0,0|2,0,0]=4 41 B6R0.4 CCOCC(=O)O HY-W027555 [1,0,1,0,0,0|2,0,0]=4 42 B6R0.4 CSCCC(=O)O HY-101401 [1,0,1,0,0,0|2,0,0]=4 43 B6R0.4 NCCCC(=O)O HY-N0067 [1,0,1,0,0,0|2,0,0]=4 44 B6R0.4 NCCCC(=O)O HY-N0067R [1,0,1,0,0,0|2,0,0]=4 45 B6R0.6 C(CO)=CCCC HY-W015936 [1,0,1,0,0,0|1,0,1]=4 46 B6R0.6 C=CCCCCO HY-W012995 [1,0,1,0,0,0|2,0,0]=4 47 B6R0.6 CCCCCCO HY-W032022 [1,0,1,0,0,0|0,0,2]=4 48 B6R0.6 CCC\C=C\C=O HY-128429 [1,0,1,0,0,0|0,0,2]=4 49 B6R0.6 CC\C=C/CCO HY-W010607 [1,0,1,0,0,0|1,0,1]=4 50 B6R1.1 C1CSCCN1 HY-W007359 [2,0,0,0,0,0|2,0,0]=4 51 B6R1.1 C1CSCSC1 HY-W001189 [2,0,0,0,0,0|2,0,0]=4 52 B8R0.1 CCOC(=O)CCCN HY-W010078 [0,1,1,0,0,0|1,0,0]=3 53 B8R0.3 CCCC(=O)C(=O)OC HY-W127546 [0,1,1,0,0,0|1,0,1]=4 54 B8R0.3 O=CC[C@H](O)[C@H](O)CO HY-77956 [0,1,1,0,0,0|2,0,0]=4 55 B8R0.6 CCCCCC(=O)O[Na] HY-W099696 [0,1,1,0,0,0|2,0,0]=4 56 B8R0.6 CCCCCC(O)CC HY-W099689 [0,1,1,0,0,0|0,0,2]=4 57 B8R0.9 COC(=O)CCC(C)=O HY-N3272 [0,1,1,0,0,0|1,0,1]=4 58 B8R0.19 CCC(=O)CC(=O)OC HY-W010394 [0,1,1,0,0,0|1,0,1]=4 59 B8R0.23 CC(C)CC(=O)C(=O)O HY-W012722 [0,1,1,0,0,0|1,0,1]=4 60 B8R0.23 CC(C)CC(=O)C(=O)O HY-W012722R [0,1,1,0,0,0|1,0,1]=4 61 B8R0.23 CC(C)CC(N)C(=O)O HY-B1674 [0,1,1,0,0,0|1,0,0]=3 62 B8R0.23 CC(C)CC(O)C(=O)O HY-30216A [0,1,1,0,0,0|1,0,0]=3 63 B8R0.23 CC(C)CC(O)C(=O)O HY-30216AR [0,1,1,0,0,0|1,0,0]=3 64 B8R0.23 CC(C)C[C@@H](N)C(=O)O HY-Y0378 [0,1,1,0,0,0|1,0,0]=3 65 B8R0.23 CC(C)C[C@H](N)C(=O)O HY-N0486 [0,1,1,0,0,0|1,0,0]=3 66 B8R0.23 CC(C)C[C@H](N)C(=O)O HY-N0486R [0,1,1,0,0,0|1,0,0]=3 67 B8R0.23 CC(C)C[C@H](N)C(N)=O HY-W088014 [0,1,1,0,0,0|1,0,0]=3 68 B8R0.23 CC(C)C[C@H](N)[13C](=O)O HY-N0486S1 [0,1,1,0,0,0|1,0,0]=3 69 B8R0.23 CC(C)C[C@H](O)C(=O)O HY-30215 [0,1,1,0,0,0|1,0,0]=3 70 B8R0.23 CC(C)C[C@H](O)C(=O)O HY-30215R [0,1,1,0,0,0|1,0,0]=3 71 B8R0.23 CC(C)C[C@H]([15NH2])[13C](=O)O HY-N0486S7 [0,1,1,0,0,0|1,0,0]=3 72 B8R0.29 CC(C)(C)NCC(=O)O HY-W040723 [0,1,1,0,0,0|2,0,0]=4 73 B8R1.2 OCC1CCC=CO1 HY-34692 [1,1,0,0,0,0|1,0,1]=4 74 B8R1.2 OCC1CCCCO1 HY-115051 [1,1,0,0,0,0|1,0,1]=4 75 B8R1.2 OCC1CCOCC1 HY-79631 [1,1,0,0,0,0|1,0,0]=3 76 B8R1.4 CC1CCCC(C)N1 HY-B1191 [1,1,0,0,0,0|1,0,1]=4 77 B8R1.4 CC1CCN=C(N)C1 HY-138564 [1,1,0,0,0,0|1,0,1]=4 78 B8R1.4 O=C1CCCC(=O)C1 HY-W007466 [1,1,0,0,0,0|0,0,1]=3 79 B8R1.4 O=C1CCCC(=O)N1 HY-I0466 [1,1,0,0,0,0|1,0,1]=4 80 B8R1.5 CC1CCCCC1=O HY-W010549 [1,1,0,0,0,0|0,0,0]=2 81 B8R1.5 NC1CCCNC1=O HY-21088 [1,1,0,0,0,0|1,0,0]=3 82 B8R1.5 N[C@@H]1CCCC[C@H]1N HY-41957 [1,1,0,0,0,0|1,0,1]=4 83 B8R1.5 N[C@H]1CCCNC1=O HY-W003592A [1,1,0,0,0,0|1,0,0]=3 84 B8R1.5 O=C1CCCCC1=O HY-W007347 [1,1,0,0,0,0|0,0,1]=3 85 B8R1.5 O[C@@H]1CCCC[C@H]1O HY-W010514 [1,1,0,0,0,0|0,0,2]=4 86 B8R1.72 C[N+]1(C)CCCCC1 HY-W017448 [1,1,0,0,0,0|1,0,1]=4 87 B8R1.72 C[N+]1([O-])CCOCC1 HY-Y1101B [1,1,0,0,0,0|2,0,0]=4 88 B8R1.72 FC1(F)CCNCC1 HY-W001440 [1,1,0,0,0,0|2,0,0]=4 89 B8R1.1 CCC1CCC(=O)O1 HY-W015892 [0,1,0,0,1,0|1,0,0]=3 90 B8R1.18 CC1CC(=O)OC1=O HY-Z0059 [0,1,0,0,1,0|1,0,1]=4 91 B8R1.50 O=C1OCC(O)[C@@H]1O HY-W357137 [0,1,0,0,1,0|2,0,0]=4 92 B8R1.51 CC1(C)C=CC(=O)C1 HY-W024604 [0,1,0,0,1,0|0,0,2]=4 93 B10R1.3 BrC[C@H]1CC[C@H](CBr)CC1 HY-47683 [0,2,0,0,0,0|1,0,1]=4 94 B10R1.13 C=C(C)[C@@H]1CC=C(C)CC1 HY-Z0478 [0,2,0,0,0,0|1,0,1]=4 95 B10R1.13 O=C(O)C1CCC(O)CC1 HY-W015675 [0,2,0,0,0,0|1,0,1]=4 96 B10R1.13 O=C(O)[C@H]1CC[C@H](O)CC1 HY-76199 [0,2,0,0,0,0|1,0,1]=4 97 B8R1.22 O=C1CCCCCN1 HY-W010542 [0,0,1,1,0,0|1,0,0]=3 98 B8R1.22 O=C1CCCCCO1 HY-W015891 [0,0,1,1,0,0|1,0,0]=3 99 B8R1.22 O=C1CCCCCO1 HY-W392100B [0,0,1,1,0,0|1,0,0]=3 100 B8R1.22 O=C1CCCNCC1 HY-W001845 [0,0,1,1,0,0|1,0,0]=3 101 B8R1.38 COC(=O)C1CNC1 HY-33615 [0,0,1,1,0,0|2,0,0]=4 102 B8R1.52 CC[N+]1(C)CCCC1 HY-W127700 [0,0,1,1,0,0|2,0,0]=4 103 B6R0.2 CC(C)CC(=O)O HY-W012980 [0,0,1,0,1,0|1,0,0]=3 104 B6R0.2 CC(C)CC(N)=O HY-B1229 [0,0,1,0,1,0|1,0,0]=3 105 B6R0.2 CC(C)C[13C](=O)O HY-W012980S1 [0,0,1,0,1,0|1,0,0]=3 106 B6R0.2 CC(N)CC(=O)O HY-W008833 [0,0,1,0,1,0|2,0,0]=4 107 B6R0.2 CC(O)CC(=O)O HY-113378 [0,0,1,0,1,0|2,0,0]=4 108 B6R0.2 CN(C)CC(=O)O HY-W001158 [0,0,1,0,1,0|2,0,0]=4 109 B6R0.2 CN(C)CC(=O)O HY-Y0511 [0,0,1,0,1,0|2,0,0]=4 110 B6R0.2 CN(C)CC(=O)O HY-Y0511R [0,0,1,0,1,0|2,0,0]=4 111 B6R0.2 C[C@@H](O)CC(=O)O HY-W051723 [0,0,1,0,1,0|2,0,0]=4 112 B6R0.2 C[C@H](N)CC(=O)O HY-W001210 [0,0,1,0,1,0|2,0,0]=4 113 B6R0.2 C[C@H](O)CC(=O)O HY-W050031 [0,0,1,0,1,0|2,0,0]=4 114 B6R1.2 CN1CCCC1 HY-128383 [1,0,0,0,1,0|1,0,0]=3 115 B6R1.2 F[C@@H]1CCNC1 HY-40421 [1,0,0,0,1,0|2,0,0]=4 116 B6R1.2 N=C1CCCS1 HY-W015798 [1,0,0,0,1,0|2,0,0]=4 117 B6R1.2 O=C1C=CCC1 HY-W010643 [1,0,0,0,1,0|0,0,2]=4 118 B6R1.2 O=C1CCOC1 HY-33900 [1,0,0,0,1,0|1,0,0]=3 119 B6R1.2 O=C1CCSC1 HY-W010594 [1,0,0,0,1,0|1,0,0]=3 120 B6R1.2 O=C1NCCN1 HY-W031536 [1,0,0,0,1,0|2,0,0]=4 121 B6R1.2 O[C@H]1CCOC1 HY-76476 [1,0,0,0,1,0|2,0,0]=4 122 B8R0.28 CC(=O)CCC=C(C)C HY-W010435 [0,0,1,0,0,1|0,0,1]=3 123 B8R0.28 CC(C)CCCC(C)N HY-B1233 [0,0,1,0,0,1|1,0,1]=4 124 B8R0.28 CC(C)CCCC(C)N HY-B1233A [0,0,1,0,0,1|1,0,1]=4