0 B7R1.1 NC[C@@H]1CCCO1 HY-W010600 [0,0,0,0,0,0|1,0,0]=1 1 B7R1.1 OC[C@@H]1CCCN1 HY-Y1126 [0,0,0,0,0,0|1,0,0]=1 2 B7R1.1 OC[C@@H]1CCNC1 HY-60263 [0,0,0,0,0,0|2,0,0]=2 3 B6R1.2 CN1CCCC1 HY-128383 [1,0,0,0,0,0|2,0,0]=3 4 B6R1.2 F[C@@H]1CCNC1 HY-40421 [1,0,0,0,0,0|3,0,0]=4 5 B6R1.2 N=C1CCCS1 HY-W015798 [1,0,0,0,0,0|1,1,1]=4 6 B6R1.2 O[C@H]1CCOC1 HY-76476 [1,0,0,0,0,0|2,0,0]=3 7 B8R1.1 CCC1CCC(=O)O1 HY-W015892 [0,1,0,0,0,0|1,0,1]=3 8 B8R1.7 NC(=O)[C@@H]1CCCN1 HY-20582 [0,1,0,0,0,0|1,0,2]=4 9 B8R1.7 NC(=O)[C@@H]1CCCN1 HY-W017413 [0,1,0,0,0,0|1,0,2]=4 10 B8R1.7 NC(=O)[C@H]1CCCN1 HY-W012921 [0,1,0,0,0,0|1,0,2]=4 11 B8R1.7 O=C(O)C1=CCCC1 HY-W005540 [0,1,0,0,0,0|1,0,2]=4 12 B8R1.7 O=C(O)C1CCCN1 HY-W012908 [0,1,0,0,0,0|1,0,1]=3 13 B8R1.7 O=C(O)C1CSCN1 HY-B1169 [0,1,0,0,0,0|2,0,1]=4 14 B8R1.7 O=C(O)[C@@H]1CCCN1 HY-WAA0253 [0,1,0,0,0,0|1,0,1]=3 15 B8R1.7 O=C(O)[C@@H]1CCCN1 HY-Y0252 [0,1,0,0,0,0|1,0,1]=3 16 B8R1.7 O=C(O)[C@@H]1CCCN1 HY-Y0252R [0,1,0,0,0,0|1,0,1]=3 17 B8R1.7 O=C(O)[C@@H]1CCNC1 HY-60256 [0,1,0,0,0,0|2,0,1]=4 18 B8R1.7 O=C(O)[C@@H]1CSCN1 HY-W012676 [0,1,0,0,0,0|2,0,1]=4 19 B8R1.7 O=C(O)[C@H]1CCCN1 HY-75087 [0,1,0,0,0,0|1,0,1]=3 20 B8R1.7 O=C(O)[C@H]1CCCO1 HY-W005223 [0,1,0,0,0,0|0,0,1]=2 21 B8R1.7 OB(O)C1=CCCC1 HY-W000981 [0,1,0,0,0,0|2,0,1]=4 22 B8R1.7 OB(O)C1CCCC1 HY-W000955 [0,1,0,0,0,0|2,0,0]=3 23 B8R1.8 OCCN1CCCC1 HY-W010519 [0,1,0,0,0,0|2,0,0]=3 24 B8R1.11 CCN1CCCC1=O HY-B1620 [0,1,0,0,0,0|3,0,0]=4 25 B8R1.11 CCN1CCCC1=O HY-B1620B [0,1,0,0,0,0|3,0,0]=4 26 B8R1.11 CCN1CCCC1=O HY-B1620H [0,1,0,0,0,0|3,0,0]=4 27 B8R1.11 CCN1CCCC1=O HY-B1620I [0,1,0,0,0,0|3,0,0]=4 28 B8R1.11 CCN1CCCC1=O HY-B1620J [0,1,0,0,0,0|3,0,0]=4 29 B8R1.11 CCN1CCCC1=O HY-B1620L [0,1,0,0,0,0|3,0,0]=4 30 B8R1.11 CCN1CCCC1=O HY-B1620O [0,1,0,0,0,0|3,0,0]=4 31 B8R1.11 CN1CCC[C@H]1CO HY-W019679 [0,1,0,0,0,0|1,0,0]=2 32 B8R1.52 CC[N+]1(C)CCCC1 HY-W127700 [0,1,0,0,0,0|3,0,0]=4 33 B6R0.1 CCOC(=O)CN HY-76204 [0,0,1,0,0,0|2,0,1]=4 34 B6R0.6 BrCCOCCBr HY-W013458 [0,0,1,0,0,0|2,0,0]=3 35 B6R0.6 C#CCOCCN HY-116069 [0,0,1,0,0,0|1,0,2]=4 36 B6R0.6 C#CCOCCO HY-43614 [0,0,1,0,0,0|0,0,2]=3 37 B6R0.6 C(CO)=CCCC HY-W015936 [0,0,1,0,0,0|1,0,1]=3 38 B6R0.6 C=CCCCCO HY-W012995 [0,0,1,0,0,0|1,0,1]=3 39 B6R0.6 CCCCCCO HY-W032022 [0,0,1,0,0,0|1,0,0]=2 40 B6R0.6 CC\C=C/CCO HY-W010607 [0,0,1,0,0,0|1,0,1]=3 41 B6R0.6 ClCCNCCCl HY-Y0881 [0,0,1,0,0,0|3,0,0]=4 42 B6R0.6 NCCCCCN HY-W016750 [0,0,1,0,0,0|2,0,0]=3 43 B6R0.6 NCCCCCO HY-W012971 [0,0,1,0,0,0|1,0,0]=2 44 B6R0.6 NCCOCCN HY-140208 [0,0,1,0,0,0|2,0,0]=3 45 B6R0.6 NCCOCCN HY-140648 [0,0,1,0,0,0|2,0,0]=3 46 B6R0.6 OCCOCCBr HY-141213 [0,0,1,0,0,0|1,0,0]=2 47 B6R0.6 OCCOCCO HY-B1952 [0,0,1,0,0,0|1,0,0]=2 48 B6R0.6 SCCOCCS HY-145485 [0,0,1,0,0,0|1,1,0]=3 49 B6R1.6 OCC1CNC1 HY-21336 [0,0,0,0,1,0|1,0,0]=2 50 B6R1.6 OCC1COC1 HY-W004925 [0,0,0,0,1,0|1,0,0]=2 51 B8R1.2 OCC1CCC=CO1 HY-34692 [0,0,0,0,0,1|0,0,1]=2 52 B8R1.2 OCC1CCCCO1 HY-115051 [0,0,0,0,0,1|0,0,0]=1 53 B8R1.2 OCC1CCOCC1 HY-79631 [0,0,0,0,0,1|1,0,0]=2 54 B5R0.1 CC(O)CCO HY-77490A [1,0,1,0,0,0|1,0,0]=3 55 B5R0.1 CCCB(O)O HY-W007470 [1,0,1,0,0,0|1,0,0]=3 56 B5R0.1 C[C@@H](O)CCO HY-77490 [1,0,1,0,0,0|1,0,0]=3 57 B5R0.2 C#CCCCO HY-W010642 [1,0,1,0,0,0|0,0,2]=4 58 B5R0.2 CCCSSC HY-N7436 [1,0,1,0,0,0|1,1,0]=4 59 B5R0.2 CCSCCCl HY-W199190 [1,0,1,0,0,0|1,1,0]=4 60 B5R0.2 CC\C=C/CO HY-W030347 [1,0,1,0,0,0|0,0,2]=4 61 B5R0.2 NCCCCO HY-W002041 [1,0,1,0,0,0|1,0,0]=3 62 B5R0.2 OC\C=C/CO HY-W027631 [1,0,1,0,0,0|0,0,2]=4 63 B5R0.3 CCC(=O)CO HY-W005327 [1,0,1,0,0,0|0,0,2]=4 64 B5R0.3 CCC(C)C=O HY-W020678 [1,0,1,0,0,0|0,0,2]=4 65 B5R0.3 NCC(O)CO HY-W002040 [1,0,1,0,0,0|1,0,0]=3 66 B5R0.3 NC[C@@H](O)CCl HY-W108649 [1,0,1,0,0,0|2,0,0]=4 67 B5R0.3 O=CC(O)CO HY-128748 [1,0,1,0,0,0|1,0,1]=4 68 B5R0.3 O=C[C@@H](O)CO HY-W008504 [1,0,1,0,0,0|1,0,1]=4 69 B5R0.3 OC(CBr)CBr HY-W014092 [1,0,1,0,0,0|2,0,0]=4 70 B5R0.3 OCC(O)CO HY-B1659 [1,0,1,0,0,0|1,0,0]=3 71 B5R0.3 OCC(O)CO HY-B1659R [1,0,1,0,0,0|1,0,0]=3 72 B5R0.3 OCC(S)CS HY-B1285 [1,0,1,0,0,0|1,1,0]=4 73 B7R0.2 CCC(C)CC(C)N HY-W015593 [0,1,1,0,0,0|2,0,0]=4 74 B7R0.2 CCC(C)OC(C)=O HY-158759 [0,1,1,0,0,0|1,0,1]=4 75 B7R0.2 [C@H](N)(CO)CC(C)C HY-W012888 [0,1,1,0,0,0|1,0,0]=3 76 B7R0.5 CCCC(C)C(=O)O HY-W010516 [0,1,1,0,0,0|1,0,1]=4 77 B7R0.5 CCCC(N)C(=O)O HY-W010510 [0,1,1,0,0,0|1,0,1]=4 78 B7R0.5 CCC[C@@H](N)C(=O)O HY-41309 [0,1,1,0,0,0|1,0,1]=4 79 B7R0.5 CCC[C@H](N)C(=O)O HY-Y0399 [0,1,1,0,0,0|1,0,1]=4 80 B7R0.10 O=C(CO)[C@@H](O)CO HY-W441330 [0,1,1,0,0,0|1,0,1]=4 81 B7R0.10 O=C[C@H](O)[C@H](O)CO HY-116956 [0,1,1,0,0,0|1,0,1]=4 82 B7R0.10 OC[C@H](O)[C@H](O)CO HY-100551 [0,1,1,0,0,0|1,0,0]=3 83 B7R0.10 OC[C@H](O)[C@H](O)CO HY-100551R [0,1,1,0,0,0|1,0,0]=3 84 B7R0.10 O[C@@H](CS)[C@@H](O)CS HY-15917A [0,1,1,0,0,0|1,1,0]=4 85 B7R0.10 O[C@H](CS)[C@@H](O)CS HY-15916 [0,1,1,0,0,0|1,1,0]=4 86 B7R0.10 O[C@H](CS)[C@H](O)CS HY-15917 [0,1,1,0,0,0|1,1,0]=4 87 B7R0.10 [C@@H](O)(CO)[C@H](O)CO HY-W012846 [0,1,1,0,0,0|1,0,0]=3 88 B7R0.10 [C@H](C)(CC)[C@H](N)CO HY-W015875 [0,1,1,0,0,0|1,0,0]=3 89 B7R0.1 C#CCCCCCBr HY-W459522 [0,1,1,0,0,0|2,0,0]=4 90 B7R0.1 C#CCOCCON HY-140056 [0,1,1,0,0,0|0,0,2]=4 91 B7R0.1 CCCCCCCO HY-W099504 [0,1,1,0,0,0|1,0,0]=3 92 B7R0.1 CCCSSCCC HY-W196803 [0,1,1,0,0,0|1,1,0]=4 93 B7R0.1 COCCOCCN HY-140675 [0,1,1,0,0,0|1,0,0]=3 94 B7R0.1 COCCOCCN HY-140676 [0,1,1,0,0,0|1,0,0]=3 95 B7R0.1 COCCOCCN HY-140677 [0,1,1,0,0,0|1,0,0]=3 96 B7R0.1 COCCOCCN HY-140678 [0,1,1,0,0,0|1,0,0]=3 97 B7R0.1 COCCOCCN HY-140679 [0,1,1,0,0,0|1,0,0]=3 98 B7R0.1 COCCOCCN HY-155881 [0,1,1,0,0,0|1,0,0]=3 99 B7R0.1 COCCOCCN HY-155882 [0,1,1,0,0,0|1,0,0]=3 100 B7R0.1 COCCOCCN HY-W008429 [0,1,1,0,0,0|1,0,0]=3 101 B7R0.1 COCCOCCN HY-W598230A [0,1,1,0,0,0|1,0,0]=3 102 B7R0.1 COCCOCCO HY-140696 [0,1,1,0,0,0|0,0,0]=2 103 B7R0.1 COCCOCCO HY-140696B [0,1,1,0,0,0|0,0,0]=2 104 B7R0.1 COCCOCCO HY-140696D [0,1,1,0,0,0|0,0,0]=2 105 B7R0.1 COCCOCCO HY-140696E [0,1,1,0,0,0|0,0,0]=2 106 B7R0.1 COCCOCCO HY-W012862 [0,1,1,0,0,0|0,0,0]=2 107 B7R0.1 COCCOCCS HY-140706 [0,1,1,0,0,0|0,1,0]=3 108 B7R0.1 COCCOCCS HY-140708 [0,1,1,0,0,0|0,1,0]=3 109 B7R0.1 COCCOCCS HY-W591476 [0,1,1,0,0,0|0,1,0]=3 110 B7R0.1 COCCOCCS HY-W591476B [0,1,1,0,0,0|0,1,0]=3 111 B7R0.1 COCCOCCS HY-W591476C [0,1,1,0,0,0|0,1,0]=3 112 B7R0.1 ClCCCCCCBr HY-W009787 [0,1,1,0,0,0|2,0,0]=4 113 B7R0.1 NCCCCCCO HY-W007957 [0,1,1,0,0,0|1,0,0]=3 114 B7R0.1 NCCCNCCS HY-103640 [0,1,1,0,0,0|1,1,0]=4 115 B7R0.1 NCCCNCCS HY-137864 [0,1,1,0,0,0|1,1,0]=4 116 B7R0.1 NCCOCCON HY-W451406A [0,1,1,0,0,0|1,0,0]=3 117 B7R0.1 NCCOCCON HY-W451406C [0,1,1,0,0,0|1,0,0]=3 118 B7R0.1 NOCCOCCO HY-126951 [0,1,1,0,0,0|1,0,0]=3 119 B7R0.1 OCCCCCCBr HY-W016455 [0,1,1,0,0,0|1,0,0]=3 120 B7R0.1 OCCCCCCCl HY-41681 [0,1,1,0,0,0|1,0,0]=3 121 B7R0.1 OCCCCCCO HY-W010505 [0,1,1,0,0,0|0,0,0]=2 122 B7R0.1 OCCSSCCO HY-W076898A [0,1,1,0,0,0|1,0,0]=3 123 B7R0.4 CCCCCC(C)N HY-B0952 [0,1,1,0,0,0|2,0,0]=4 124 B7R0.4 CCCCCC(C)O HY-W015879 [0,1,1,0,0,0|1,0,0]=3 125 B7R0.4 NCCCCC(=O)O HY-W015878 [0,1,1,0,0,0|1,0,1]=4 126 B7R0.4 NCCOCC(=O)O HY-140643 [0,1,1,0,0,0|1,0,1]=4 127 B7R0.4 NCCOCC(=O)O HY-140644 [0,1,1,0,0,0|1,0,1]=4 128 B7R0.4 O=C(O)CCCCBr HY-W016456 [0,1,1,0,0,0|1,0,1]=4 129 B7R0.4 O=C(O)COCCBr HY-130163 [0,1,1,0,0,0|1,0,1]=4 130 B7R0.4 O=C(O)COCCS HY-140730 [0,1,1,0,0,0|1,0,1]=4 131 B7R0.15 CCC(CC)C(=O)O HY-W004154 [0,1,1,0,0,0|1,0,1]=4 132 B7R1.2 CC1CCC(=O)O1 HY-W015938 [1,1,0,0,0,0|0,0,1]=3 133 B7R1.2 CN1CCC(O)C1 HY-I0708 [1,1,0,0,0,0|2,0,0]=4 134 B7R1.4 CN1CCCC1=O HY-Y1275 [1,1,0,0,0,0|2,0,0]=4 135 B7R1.4 O[C@@H]1CNC[C@H]1F HY-W062336 [1,1,0,0,0,0|2,0,0]=4 136 B7R1.4 [C@H]1(N)CCOC1=O HY-W015800 [1,1,0,0,0,0|0,0,2]=4 137 B7R1.18 O=C(O)C1CNC1 HY-Y0530 [0,1,0,0,1,0|1,0,1]=4 138 B7R1.18 O=C(O)[C@@H]1CCN1 HY-W050044 [0,1,0,0,1,0|1,0,1]=4 139 B7R1.18 O=C(O)[C@H]1CCN1 HY-W017755 [0,1,0,0,1,0|1,0,1]=4 140 B9R1.6 O=C(O)C1CCCCC1 HY-Y1373 [0,1,0,0,0,1|1,0,1]=4 141 B9R1.6 O=C(O)C1CCCCN1 HY-Y0669R [0,1,0,0,0,1|1,0,1]=4 142 B9R1.6 O=C(O)C1CCCNC1 HY-69359 [0,1,0,0,0,1|1,0,1]=4 143 B9R1.6 O=C(O)C1CCNCC1 HY-Y1176 [0,1,0,0,0,1|1,0,1]=4 144 B9R1.6 O=C(O)C1CCOCC1 HY-W002155 [0,1,0,0,0,1|1,0,1]=4 145 B9R1.6 O=C(O)[C@H]1CCCCN1 HY-Y0181 [0,1,0,0,0,1|1,0,1]=4 146 B9R1.6 [C@@H]1(C(=O)O)CCCCN1 HY-W012734 [0,1,0,0,0,1|1,0,1]=4 147 B9R1.6 [C@H]1(C(=O)O)CCCNC1 HY-W012735 [0,1,0,0,0,1|1,0,1]=4 148 B9R1.8 OCCN1CCCCC1 HY-W012728 [0,1,0,0,0,1|2,0,0]=4 149 B9R1.8 OCCN1CCNCC1 HY-41939 [0,1,0,0,0,1|2,0,0]=4 150 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 HY-W061761 [0,2,0,0,0,0|1,0,1]=4 151 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 HY-W044620 [0,2,0,0,0,0|1,0,1]=4 152 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 HY-40135 [0,2,0,0,0,0|1,0,1]=4 153 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 HY-40135R [0,2,0,0,0,0|1,0,1]=4 154 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 HY-40136 [0,2,0,0,0,0|1,0,1]=4 155 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 HY-W019213 [0,2,0,0,0,0|1,0,1]=4 156 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 HY-76104 [0,2,0,0,0,0|1,0,1]=4 157 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 HY-34666 [0,2,0,0,0,0|1,0,1]=4 158 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 HY-W003511 [0,2,0,0,0,0|1,0,1]=4 159 B9R1.35 [C@H]1(O)CN[C@@H](C(=O)O)C1 HY-W008129 [0,2,0,0,0,0|1,0,1]=4 160 B9R1.132 OC[C@H]1SC[C@H](O)[C@@H]1O HY-W048245 [0,2,0,0,0,0|0,1,0]=3 161 B9R1.133 CC1(C)OC[C@H](CO)O1 HY-W012699 [0,2,0,0,0,0|1,0,0]=3 162 B9R1.11 COC(=O)[C@@H]1CCCN1 HY-76134 [0,2,0,0,0,0|1,0,1]=4 163 B9R1.41 CN1CCC[C@H]1C(=O)O HY-21754 [0,2,0,0,0,0|1,0,1]=4 164 B9R1.163 NC1(C(=O)O)CCCC1 HY-30008 [0,2,0,0,0,0|1,0,1]=4 165 B9R1.163 [2H]C1(C(=O)O)CCCN1 HY-W012908S1 [0,2,0,0,0,0|1,0,1]=4 166 B7R1.3 CC1CCOCO1 HY-W111914 [0,0,1,1,0,0|2,0,0]=4 167 B7R1.3 C[C@@H]1CNCCN1 HY-34767 [0,0,1,1,0,0|2,0,0]=4 168 B7R1.3 OC1CCCCC1 HY-Y1217 [0,0,1,1,0,0|1,0,0]=3 169 B7R1.7 C=CCC[C@@H]1CO1 HY-46575 [0,0,1,1,0,0|1,0,1]=4 170 B9R2.61 OCC12CC(CN1)C2 HY-W393807 [0,1,0,1,0,0|1,0,0]=3 171 B5R1.2 FC1CNC1 HY-W001606 [1,0,0,0,1,0|2,0,0]=4 172 B5R1.2 IC1COC1 HY-W016306 [1,0,0,0,1,0|2,0,0]=4 173 B5R1.2 O=C1CCO1 HY-107931 [1,0,0,0,1,0|0,0,2]=4 174 B5R1.2 OC1CCC1 HY-W013042 [1,0,0,0,1,0|0,0,0]=2 175 B5R1.2 OC1CNC1 HY-40144 [1,0,0,0,1,0|1,0,0]=3 176 B5R1.3 BrCC1CC1 HY-Y1100 [0,0,0,0,2,0|1,0,0]=3 177 B5R1.3 OCC1CO1 HY-Y1010 [0,0,0,0,2,0|0,0,0]=2