0 B6R1.2 CN1CCCC1 HY-128383 [0,0,0,0,0,0|2,0,0]=2 1 B6R1.2 F[C@@H]1CCNC1 HY-40421 [0,0,0,0,0,0|2,0,0]=2 2 B6R1.2 N=C1CCCS1 HY-W015798 [0,0,0,0,0,0|2,0,1]=3 3 B6R1.2 O=C1C=CCC1 HY-W010643 [0,0,0,0,0,0|0,1,3]=4 4 B6R1.2 O=C1CCOC1 HY-33900 [0,0,0,0,0,0|1,1,1]=3 5 B6R1.2 O=C1CCSC1 HY-W010594 [0,0,0,0,0,0|1,1,1]=3 6 B6R1.2 O=C1NCCN1 HY-W031536 [0,0,0,0,0,0|2,1,1]=4 7 B6R1.2 O[C@H]1CCOC1 HY-76476 [0,0,0,0,0,0|1,1,0]=2 8 B6R1.2 SC1=NCCN1 HY-W010593 [0,0,0,0,0,0|2,0,1]=3 9 B7R1.1 NC[C@@H]1CCCO1 HY-W010600 [0,1,0,0,0,0|2,0,0]=3 10 B7R1.1 OC[C@@H]1CCCN1 HY-Y1126 [0,1,0,0,0,0|1,1,0]=3 11 B7R1.1 OC[C@@H]1CCNC1 HY-60263 [0,1,0,0,0,0|1,1,0]=3 12 B7R1.2 CC1CCC(=O)O1 HY-W015938 [0,1,0,0,0,0|1,1,1]=4 13 B7R1.2 CN1CCC(O)C1 HY-I0708 [0,1,0,0,0,0|1,1,0]=3 14 B7R1.2 O=C1CCC(=O)C1 HY-75355 [0,1,0,0,0,0|0,1,2]=4 15 B7R1.2 O=C1C[C@H](O)CN1 HY-W002597 [0,1,0,0,0,0|1,1,1]=4 16 B7R1.4 CN1CCCC1=O HY-Y1275 [0,1,0,0,0,0|1,1,1]=4 17 B7R1.4 NC1CCSC1=O HY-101404 [0,1,0,0,0,0|1,1,1]=4 18 B7R1.4 N[C@H]1CCSC1=O HY-101404A [0,1,0,0,0,0|1,1,1]=4 19 B7R1.4 O[C@@H]1CNC[C@H]1F HY-W062336 [0,1,0,0,0,0|1,1,0]=3 20 B7R1.4 [C@H]1(N)CCOC1=O HY-W015800 [0,1,0,0,0,0|1,1,1]=4 21 B7R1.14 FC1(F)CCNC1 HY-W001466 [0,1,0,0,0,0|2,0,0]=3 22 B7R1.14 O=S1(=O)CCCN1 HY-W001194 [0,1,0,0,0,0|2,1,0]=4 23 B5R0.1 CC(=O)CCO HY-W051287 [0,0,1,0,0,0|1,1,1]=4 24 B5R0.1 CC(N)CC#N HY-W018936 [0,0,1,0,0,0|2,0,1]=4 25 B5R0.1 CC(O)CCO HY-77490A [0,0,1,0,0,0|1,1,0]=3 26 B5R0.1 CCCB(O)O HY-W007470 [0,0,1,0,0,0|2,1,0]=4 27 B5R0.1 CCCC(N)=O HY-W088319 [0,0,1,0,0,0|1,1,1]=4 28 B5R0.1 C[C@@H](O)CCO HY-77490 [0,0,1,0,0,0|1,1,0]=3 29 B5R0.2 C#CCCCO HY-W010642 [0,0,1,0,0,0|0,1,2]=4 30 B5R0.2 CCCSSC HY-N7436 [0,0,1,0,0,0|3,0,0]=4 31 B5R0.2 CCSCCCl HY-W199190 [0,0,1,0,0,0|2,0,0]=3 32 B5R0.2 CC\C=C/CO HY-W030347 [0,0,1,0,0,0|0,1,2]=4 33 B5R0.2 NCCCCO HY-W002041 [0,0,1,0,0,0|1,1,0]=3 34 B5R0.3 CCC(=O)CO HY-W005327 [0,0,1,0,0,0|1,1,1]=4 35 B5R0.3 CCC(C)C=O HY-W020678 [0,0,1,0,0,0|2,0,1]=4 36 B5R0.3 NCC(O)CO HY-W002040 [0,0,1,0,0,0|2,1,0]=4 37 B5R0.3 NC[C@@H](O)CCl HY-W108649 [0,0,1,0,0,0|2,1,0]=4 38 B5R0.3 OC(CBr)CBr HY-W014092 [0,0,1,0,0,0|2,1,0]=4 39 B5R0.3 OCC(O)CO HY-B1659 [0,0,1,0,0,0|2,1,0]=4 40 B5R0.3 OCC(O)CO HY-B1659R [0,0,1,0,0,0|2,1,0]=4 41 B5R0.3 OCC(S)CS HY-B1285 [0,0,1,0,0,0|2,0,0]=3 42 B5R1.2 FC1CNC1 HY-W001606 [0,0,0,0,1,0|2,0,0]=3 43 B5R1.2 IC1COC1 HY-W016306 [0,0,0,0,1,0|2,0,0]=3 44 B5R1.2 O=C1CCO1 HY-107931 [0,0,0,0,1,0|1,1,1]=4 45 B5R1.2 O=C1COC1 HY-76440 [0,0,0,0,1,0|1,1,1]=4 46 B5R1.2 OC1CCC1 HY-W013042 [0,0,0,0,1,0|0,1,0]=2 47 B5R1.2 OC1CNC1 HY-40144 [0,0,0,0,1,0|1,1,0]=3 48 B7R1.3 BrC1CCOCC1 HY-W003396 [0,0,0,0,0,1|1,0,0]=2 49 B7R1.3 CC1CCOCO1 HY-W111914 [0,0,0,0,0,1|2,0,0]=3 50 B7R1.3 C[C@@H]1CNCCN1 HY-34767 [0,0,0,0,0,1|2,0,0]=3 51 B7R1.3 O=C1CCCCN1 HY-W042193 [0,0,0,0,0,1|0,1,1]=3 52 B7R1.3 O=C1CCCCO1 HY-W012997 [0,0,0,0,0,1|0,1,1]=3 53 B7R1.3 O=C1CCOCC1 HY-76487 [0,0,0,0,0,1|0,1,1]=3 54 B7R1.3 O=C1CCSCC1 HY-W002007 [0,0,0,0,0,1|0,1,1]=3 55 B7R1.3 O=C1CNCCN1 HY-20128 [0,0,0,0,0,1|1,1,1]=4 56 B7R1.3 OC1CCCCC1 HY-Y1217 [0,0,0,0,0,1|0,1,0]=2 57 B4R0.1 CC(O)CN HY-W015969 [1,0,1,0,0,0|1,1,0]=4 58 B4R0.1 CC(O)CO HY-Y0921 [1,0,1,0,0,0|1,1,0]=4 59 B4R0.1 CC[C@@H](C)O HY-W087952 [1,0,1,0,0,0|0,1,0]=3 60 B4R0.1 C[C@@H](N)CO HY-W010646 [1,0,1,0,0,0|2,0,0]=4 61 B4R0.1 C[C@@H](O)CN HY-W002295 [1,0,1,0,0,0|1,1,0]=4 62 B4R0.1 C[C@@H](O)CO HY-Z0031 [1,0,1,0,0,0|1,1,0]=4 63 B4R0.2 BrCCCBr HY-Y1806 [1,0,1,0,0,0|2,0,0]=4 64 B4R0.2 CNCCO HY-Y1783 [1,0,1,0,0,0|1,1,0]=4 65 B4R0.2 COCCO HY-139415 [1,0,1,0,0,0|1,1,0]=4 66 B4R0.2 NCCCO HY-Y0139 [1,0,1,0,0,0|1,1,0]=4 67 B4R0.2 OCCCBr HY-W007337 [1,0,1,0,0,0|1,1,0]=4 68 B4R0.2 OCCCO HY-W017758 [1,0,1,0,0,0|1,1,0]=4 69 B4R0.2 OCCCS HY-W090210 [1,0,1,0,0,0|1,0,0]=3 70 B6R0.2 CC(N)CN(C)C HY-32007 [0,1,1,0,0,0|2,0,0]=4 71 B6R0.2 CC(N)CN(C)C HY-32007A [0,1,1,0,0,0|2,0,0]=4 72 B6R0.3 CC(C)[C@H](N)CO HY-30167A [0,1,1,0,0,0|2,0,0]=4 73 B6R0.4 CC(C)CCCO HY-W007511 [0,1,1,0,0,0|1,0,0]=3 74 B6R0.4 CN(C)CCCCl HY-W018789 [0,1,1,0,0,0|2,0,0]=4 75 B6R0.5 CC(C)(C)CCO HY-W012977 [0,1,1,0,0,0|2,0,0]=4 76 B6R0.5 CCC[N+](C)(C)C HY-W099930 [0,1,1,0,0,0|2,0,0]=4 77 B6R0.6 BrCCOCCBr HY-W013458 [0,1,1,0,0,0|2,0,0]=4 78 B6R0.6 C(CO)=CCCC HY-W015936 [0,1,1,0,0,0|0,1,1]=4 79 B6R0.6 C=CCCCCO HY-W012995 [0,1,1,0,0,0|0,1,1]=4 80 B6R0.6 CCCCCCO HY-W032022 [0,1,1,0,0,0|0,1,0]=3 81 B6R0.6 CC\C=C/CCO HY-W010607 [0,1,1,0,0,0|0,1,1]=4 82 B6R0.6 ClCCNCCCl HY-Y0881 [0,1,1,0,0,0|2,0,0]=4 83 B6R0.6 NCCCCCN HY-W016750 [0,1,1,0,0,0|1,0,0]=3 84 B6R0.6 NCCCCCO HY-W012971 [0,1,1,0,0,0|0,1,0]=3 85 B6R0.6 NCCOCCN HY-140208 [0,1,1,0,0,0|2,0,0]=4 86 B6R0.6 NCCOCCN HY-140648 [0,1,1,0,0,0|2,0,0]=4 87 B6R0.6 OCCOCCBr HY-141213 [0,1,1,0,0,0|1,1,0]=4 88 B6R0.6 OCCOCCO HY-B1952 [0,1,1,0,0,0|1,1,0]=4 89 B6R0.6 SCCOCCS HY-145485 [0,1,1,0,0,0|1,0,0]=3 90 B6R0.9 CCN(CC)N=O HY-N7434 [0,1,1,0,0,0|1,1,0]=4 91 B6R1.6 OCC1CNC1 HY-21336 [0,1,0,0,1,0|1,1,0]=4 92 B6R1.6 OCC1COC1 HY-W004925 [0,1,0,0,1,0|1,1,0]=4 93 B6R1.10 CC1(O)CNC1 HY-59333 [0,1,0,0,1,0|1,1,0]=4 94 B6R1.10 FC1(F)CNC1 HY-W001214 [0,1,0,0,1,0|2,0,0]=4 95 B8R1.2 OCC1CCCCO1 HY-115051 [0,1,0,0,0,1|0,1,0]=3 96 B8R1.2 OCC1CCOCC1 HY-79631 [0,1,0,0,0,1|0,1,0]=3 97 B8R1.3 CN1CCC(O)CC1 HY-W018626 [0,1,0,0,0,1|0,1,0]=3 98 B8R1.3 C[C@H]1CC[C@H](N)CC1 HY-W010538 [0,1,0,0,0,1|1,0,0]=3 99 B8R1.3 NC1CCC(N)CC1 HY-W007732B [0,1,0,0,0,1|1,0,0]=3 100 B8R1.3 N[C@H]1CC[C@H](O)CC1 HY-79722 [0,1,0,0,0,1|0,1,0]=3 101 B8R1.3 O=C1CCC(=O)CC1 HY-W010554 [0,1,0,0,0,1|0,1,1]=4 102 B8R1.3 OC1COC(O)CO1 HY-W004661 [0,1,0,0,0,1|1,1,0]=4 103 B8R1.4 CC1CCCC(C)N1 HY-B1191 [0,1,0,0,0,1|1,0,0]=3 104 B8R1.4 CC1CCN=C(N)C1 HY-138564 [0,1,0,0,0,1|1,0,1]=4 105 B8R1.4 O=C1CCCC(=O)C1 HY-W007466 [0,1,0,0,0,1|0,1,1]=4 106 B8R1.5 CC1CCCCC1=O HY-W010549 [0,1,0,0,0,1|1,0,0]=3 107 B8R1.5 NC1CCCNC1=O HY-21088 [0,1,0,0,0,1|0,1,1]=4 108 B8R1.5 N[C@@H]1CCCC[C@H]1N HY-41957 [0,1,0,0,0,1|1,0,0]=3 109 B8R1.5 N[C@H]1CCCNC1=O HY-W003592A [0,1,0,0,0,1|0,1,1]=4 110 B8R1.5 O=C1CCCCC1=O HY-W007347 [0,1,0,0,0,1|0,1,1]=4 111 B8R1.5 O[C@@H]1CCCC[C@H]1O HY-W010514 [0,1,0,0,0,1|0,1,0]=3 112 B8R1.72 C[N+]1(C)CCCCC1 HY-W017448 [0,1,0,0,0,1|2,0,0]=4 113 B8R1.72 C[N+]1([O-])CCOCC1 HY-Y1101B [0,1,0,0,0,1|1,1,0]=4 114 B8R1.72 FC1(F)CCNCC1 HY-W001440 [0,1,0,0,0,1|1,0,0]=3 115 B8R1.7 NC(=O)[C@@H]1CCCN1 HY-20582 [0,2,0,0,0,0|1,1,0]=4 116 B8R1.7 NC(=O)[C@@H]1CCCN1 HY-W017413 [0,2,0,0,0,0|1,1,0]=4 117 B8R1.7 NC(=O)[C@H]1CCCN1 HY-W012921 [0,2,0,0,0,0|1,1,0]=4 118 B8R1.7 O=C(O)C1CCCN1 HY-W012908 [0,2,0,0,0,0|1,1,0]=4 119 B8R1.7 O=C(O)[C@@H]1CCCN1 HY-WAA0253 [0,2,0,0,0,0|1,1,0]=4 120 B8R1.7 O=C(O)[C@@H]1CCCN1 HY-Y0252 [0,2,0,0,0,0|1,1,0]=4 121 B8R1.7 O=C(O)[C@@H]1CCCN1 HY-Y0252R [0,2,0,0,0,0|1,1,0]=4 122 B8R1.7 O=C(O)[C@@H]1CCNC1 HY-60256 [0,2,0,0,0,0|1,1,0]=4 123 B8R1.7 O=C(O)[C@H]1CCCN1 HY-75087 [0,2,0,0,0,0|1,1,0]=4 124 B8R1.7 O=C(O)[C@H]1CCCO1 HY-W005223 [0,2,0,0,0,0|1,1,0]=4 125 B8R1.7 OB(O)C1CCCC1 HY-W000955 [0,2,0,0,0,0|0,1,0]=3 126 B8R1.7 S=C(S)N1CCCC1 HY-18738 [0,2,0,0,0,0|1,0,0]=3 127 B8R1.8 OCCN1CCCC1 HY-W010519 [0,2,0,0,0,0|1,1,0]=4 128 B8R1.11 CN1CCC[C@H]1CO HY-W019679 [0,2,0,0,0,0|1,1,0]=4 129 B8R1.52 CC[N+]1(C)CCCC1 HY-W127700 [0,2,0,0,0,0|2,0,0]=4 130 B6R1.3 COC[C@H]1CO1 HY-Z1630 [0,0,1,1,0,0|1,1,0]=4 131 B6R1.1 C1CSCCN1 HY-W007359 [0,0,1,1,0,0|1,0,0]=3 132 B6R1.1 C1CSCSC1 HY-W001189 [0,0,1,1,0,0|1,0,0]=3 133 B4R1.1 C1CNC1 HY-W010628 [1,0,0,0,1,0|1,0,0]=3 134 B8R1.22 O=C1CCCCCN1 HY-W010542 [0,0,0,0,0,2|0,1,1]=4 135 B8R1.22 O=C1CCCCCO1 HY-W015891 [0,0,0,0,0,2|0,1,1]=4 136 B8R1.22 O=C1CCCCCO1 HY-W392100B [0,0,0,0,0,2|0,1,1]=4 137 B8R1.22 O=C1CCCNCC1 HY-W001845 [0,0,0,0,0,2|0,1,1]=4