0 B6R0.6 C=CCCCCO HY-W012995 [0,0,0,0,0,0|3,0,0]=3 1 B6R0.6 C=CCSSSC HY-134900 [0,0,0,0,0,0|3,0,0]=3 2 B6R0.6 CCCCCCO HY-W032022 [0,0,0,0,0,0|1,0,2]=3 3 B6R0.6 CCC\C=C\C=O HY-128429 [0,0,0,0,0,0|1,0,2]=3 4 B6R0.6 NCCCCCN HY-W016750 [0,0,0,0,0,0|3,0,1]=4 5 B6R0.6 NCCCCCO HY-W012971 [0,0,0,0,0,0|2,0,2]=4 6 B5R0.2 C#CCCCO HY-W010642 [1,0,0,0,0,0|1,0,2]=4 7 B5R0.2 CCCSSC HY-N7436 [1,0,0,0,0,0|1,0,1]=3 8 B5R0.2 CCSCCCl HY-W199190 [1,0,0,0,0,0|2,0,1]=4 9 B5R0.2 CC\C=C\C=O HY-W111375 [1,0,0,0,0,0|0,0,2]=3 10 B5R0.2 NCCCCO HY-W002041 [1,0,0,0,0,0|1,0,2]=4 11 B7R0.1 C#CCCCCCBr HY-W459522 [0,1,0,0,0,0|2,0,1]=4 12 B7R0.1 C=CCCCN=C=S HY-W269799 [0,1,0,0,0,0|2,0,1]=4 13 B7R0.1 CCCCCCCO HY-W099504 [0,1,0,0,0,0|1,0,2]=4 14 B7R0.1 CCCC\C=C\C=O HY-W127398 [0,1,0,0,0,0|1,0,1]=3 15 B7R0.1 COCCOCCN HY-140675 [0,1,0,0,0,0|1,1,1]=4 16 B7R0.1 COCCOCCN HY-140676 [0,1,0,0,0,0|1,1,1]=4 17 B7R0.1 COCCOCCN HY-140677 [0,1,0,0,0,0|1,1,1]=4 18 B7R0.1 COCCOCCN HY-140678 [0,1,0,0,0,0|1,1,1]=4 19 B7R0.1 COCCOCCN HY-140679 [0,1,0,0,0,0|1,1,1]=4 20 B7R0.1 COCCOCCN HY-155881 [0,1,0,0,0,0|1,1,1]=4 21 B7R0.1 COCCOCCN HY-155882 [0,1,0,0,0,0|1,1,1]=4 22 B7R0.1 COCCOCCN HY-W008429 [0,1,0,0,0,0|1,1,1]=4 23 B7R0.1 COCCOCCN HY-W598230A [0,1,0,0,0,0|1,1,1]=4 24 B7R0.1 COCCOCCO HY-140696 [0,1,0,0,0,0|0,1,2]=4 25 B7R0.1 COCCOCCO HY-140696B [0,1,0,0,0,0|0,1,2]=4 26 B7R0.1 COCCOCCO HY-140696D [0,1,0,0,0,0|0,1,2]=4 27 B7R0.1 COCCOCCO HY-140696E [0,1,0,0,0,0|0,1,2]=4 28 B7R0.1 COCCOCCO HY-W012862 [0,1,0,0,0,0|0,1,2]=4 29 B7R0.1 COCCOCCS HY-140706 [0,1,0,0,0,0|0,2,1]=4 30 B7R0.1 COCCOCCS HY-140708 [0,1,0,0,0,0|0,2,1]=4 31 B7R0.1 COCCOCCS HY-W591476 [0,1,0,0,0,0|0,2,1]=4 32 B7R0.1 COCCOCCS HY-W591476B [0,1,0,0,0,0|0,2,1]=4 33 B7R0.1 COCCOCCS HY-W591476C [0,1,0,0,0,0|0,2,1]=4 34 B7R0.1 CSCCCN=C=S HY-121204 [0,1,0,0,0,0|0,1,1]=3 35 B7R0.1 ClCCCCCCBr HY-W009787 [0,1,0,0,0,0|2,0,1]=4 36 B7R0.1 NCCCCCCO HY-W007957 [0,1,0,0,0,0|1,0,2]=4 37 B7R0.1 OCCCCCCBr HY-W016455 [0,1,0,0,0,0|1,0,2]=4 38 B7R0.1 OCCCCCCCl HY-41681 [0,1,0,0,0,0|1,0,2]=4 39 B7R0.1 OCCCCCCO HY-W010505 [0,1,0,0,0,0|1,0,2]=4 40 B7R0.4 C#CCCCC(=O)O HY-Y0925 [0,1,0,0,0,0|1,0,1]=3 41 B7R0.4 C#CCNCC(=O)O HY-142035 [0,1,0,0,0,0|2,0,1]=4 42 B7R0.4 CCCCCC(C)N HY-B0952 [0,1,0,0,0,0|2,0,1]=4 43 B7R0.4 CCCCCC(C)O HY-W015879 [0,1,0,0,0,0|1,0,2]=4 44 B7R0.4 CCC\C=C\C(=O)O HY-W010531 [0,1,0,0,0,0|1,0,2]=4 45 B7R0.4 CC\C=C\CC(=O)O HY-W010532 [0,1,0,0,0,0|1,0,2]=4 46 B7R0.4 NCCCCC(=O)O HY-W015878 [0,1,0,0,0,0|2,0,0]=3 47 B7R0.4 NCCOCC(=O)O HY-140643 [0,1,0,0,0,0|3,0,0]=4 48 B7R0.4 NCCOCC(=O)O HY-140644 [0,1,0,0,0,0|3,0,0]=4 49 B7R0.4 O=C(Cl)CCCCBr HY-43538 [0,1,0,0,0,0|2,0,0]=3 50 B7R0.4 O=C(O)CCCCBr HY-W016456 [0,1,0,0,0,0|2,0,0]=3 51 B7R0.4 O=C(O)COCCBr HY-130163 [0,1,0,0,0,0|3,0,0]=4 52 B7R0.4 O=C(O)COCCS HY-140730 [0,1,0,0,0,0|3,0,0]=4 53 B7R1.1 OC[C@@H]1CCNC1 HY-60263 [0,0,0,1,0,0|1,0,2]=4 54 B7R1.3 O=C1C=CCCN1 HY-W006454 [0,0,0,1,0,0|2,0,1]=4 55 B7R1.3 O=C1CCCCN1 HY-W042193 [0,0,0,1,0,0|2,0,0]=3 56 B7R1.3 O=C1CCCCO1 HY-W012997 [0,0,0,1,0,0|2,0,0]=3 57 B7R1.3 O=C1CCOCC1 HY-76487 [0,0,0,1,0,0|2,0,0]=3 58 B7R1.3 O=C1CCSCC1 HY-W002007 [0,0,0,1,0,0|2,0,0]=3 59 B7R1.3 O=C1CNCCN1 HY-20128 [0,0,0,1,0,0|2,0,0]=3 60 B7R1.3 OC1CCCCC1 HY-Y1217 [0,0,0,1,0,0|1,0,2]=4 61 B7R1.4 CN1CCCC1=O HY-Y1275 [0,0,0,1,0,0|1,0,0]=2 62 B7R1.4 CN1CCNC1=O HY-W005507 [0,0,0,1,0,0|2,0,0]=3 63 B7R1.4 NC1CCSC1=O HY-101404 [0,0,0,1,0,0|3,0,0]=4 64 B7R1.4 N[C@H]1CCSC1=O HY-101404A [0,0,0,1,0,0|3,0,0]=4 65 B7R1.4 [C@H]1(N)CCOC1=O HY-W015800 [0,0,0,1,0,0|3,0,0]=4 66 B7R1.7 C=CCC[C@@H]1CO1 HY-46575 [0,0,0,1,0,0|1,1,0]=3 67 B4R0.2 BrCCCBr HY-Y1806 [2,0,0,0,0,0|2,0,0]=4 68 B4R0.2 C=CCCN HY-W019321 [2,0,0,0,0,0|1,0,1]=4 69 B4R0.2 C=CCSC HY-128447 [2,0,0,0,0,0|0,0,1]=3 70 B4R0.2 CNCCO HY-Y1783 [2,0,0,0,0,0|1,0,1]=4 71 B4R0.2 COCCO HY-139415 [2,0,0,0,0,0|0,1,1]=4 72 B4R0.2 CSSSC HY-128454 [2,0,0,0,0,0|2,0,0]=4 73 B4R0.2 NCCCO HY-Y0139 [2,0,0,0,0,0|1,0,1]=4 74 B4R0.2 O=CCCO HY-N8461 [2,0,0,0,0,0|0,1,0]=3 75 B4R0.2 OCCCBr HY-W007337 [2,0,0,0,0,0|1,0,1]=4 76 B4R0.2 OCCCO HY-W017758 [2,0,0,0,0,0|0,1,1]=4 77 B4R0.2 OCCCS HY-W090210 [2,0,0,0,0,0|0,0,1]=3 78 B6R0.4 C=CCCC(=O)O HY-Y0624 [1,1,0,0,0,0|0,0,2]=4 79 B6R0.4 CC(C)CCCO HY-W007511 [1,1,0,0,0,0|0,0,2]=4 80 B6R0.4 CCCCB(O)O HY-W000932 [1,1,0,0,0,0|1,0,1]=4 81 B6R0.4 CCCCC(N)=O HY-W144037 [1,1,0,0,0,0|0,0,0]=2 82 B6R0.4 CCNCC(=O)O HY-W141879 [1,1,0,0,0,0|1,0,0]=3 83 B6R0.4 CCOCC(=O)O HY-W027555 [1,1,0,0,0,0|1,0,0]=3 84 B6R0.4 CC\C=C\C(=O)O HY-W061674 [1,1,0,0,0,0|0,0,2]=4 85 B6R0.4 CN(C)CCCCl HY-W018789 [1,1,0,0,0,0|2,0,0]=4 86 B6R0.4 CSCCC(=O)O HY-101401 [1,1,0,0,0,0|0,0,0]=2 87 B6R0.4 C\C=C\CC(=O)O HY-W088501 [1,1,0,0,0,0|0,0,2]=4 88 B6R0.4 NCCCC(=O)O HY-N0067 [1,1,0,0,0,0|1,0,0]=3 89 B6R0.4 NCCCC(=O)O HY-N0067R [1,1,0,0,0,0|1,0,0]=3 90 B8R0.4 C=CCCCCCCO HY-W127366 [0,2,0,0,0,0|2,0,0]=4 91 B8R0.4 CCCCCCCC=O HY-N8015 [0,2,0,0,0,0|1,0,0]=3 92 B8R0.4 COCCOCCC=O HY-W1049075C [0,2,0,0,0,0|0,1,0]=3 93 B8R0.6 C=CC(O)CCCCC HY-W010410 [0,2,0,0,0,0|2,0,0]=4 94 B8R0.6 CCCCCC(=O)O[Na] HY-W099696 [0,2,0,0,0,0|1,0,0]=3 95 B8R0.7 C#CCOCCC(=O)O HY-130504 [0,2,0,0,0,0|1,0,1]=4 96 B8R0.7 CC(=O)NCCCCN HY-113100 [0,2,0,0,0,0|2,0,0]=4 97 B8R0.7 CC(=O)NCCCCN HY-W342604 [0,2,0,0,0,0|2,0,0]=4 98 B8R0.7 CCCCCCC(C)=O HY-W010409 [0,2,0,0,0,0|1,0,0]=3 99 B8R0.7 COCCOCC(=O)O HY-W1048558A [0,2,0,0,0,0|0,1,0]=3 100 B8R0.7 NCCOCCC(=O)O HY-140002 [0,2,0,0,0,0|2,0,0]=4 101 B8R0.7 O=C(O)CCOCCO HY-116655 [0,2,0,0,0,0|2,0,0]=4 102 B8R0.7 [N-]=[N+]=NCCCC(=O)O HY-W588704 [0,2,0,0,0,0|2,0,0]=4 103 B8R0.3 O=CC[C@H](O)[C@H](O)CO HY-77956 [0,2,0,0,0,0|2,0,0]=4 104 B8R0.8 C#CCC[C@H](N)C(=O)O HY-140345 [0,2,0,0,0,0|1,0,1]=4 105 B8R0.8 CCCCC(C)C(=O)O HY-128371 [0,2,0,0,0,0|1,0,0]=3 106 B8R0.8 CCCCC(N)C(=O)O HY-W012709 [0,2,0,0,0,0|1,0,0]=3 107 B8R0.8 CCCCC(O)C(=O)O HY-75954 [0,2,0,0,0,0|1,0,0]=3 108 B8R0.8 CCCC[C@@H](N)C(=O)O HY-41912A [0,2,0,0,0,0|1,0,0]=3 109 B8R0.8 CCCC[C@H](N)C(=O)O HY-Y0017 [0,2,0,0,0,0|1,0,0]=3 110 B8R0.8 CSCCC(N)C(=O)O HY-N0325 [0,2,0,0,0,0|0,0,0]=2 111 B8R0.8 CSCCC(O)C(=O)O HY-116688 [0,2,0,0,0,0|0,0,0]=2 112 B8R0.8 CSCC[C@@H](N)C(=O)O HY-13694 [0,2,0,0,0,0|0,0,0]=2 113 B8R0.8 CSCC[C@H](N)C(=O)O HY-N0326 [0,2,0,0,0,0|0,0,0]=2 114 B8R0.8 CSCC[C@H](N)C(=O)O HY-N0326R [0,2,0,0,0,0|0,0,0]=2 115 B8R0.8 CSCC[C@H](N)C(N)=O HY-W016256 [0,2,0,0,0,0|0,0,0]=2 116 B8R0.8 CSCC[C@H](N)[13C](=O)O HY-N0326S4 [0,2,0,0,0,0|0,0,0]=2 117 B8R0.8 CSCC[C@H]([15NH2])C(=O)O HY-N0326S [0,2,0,0,0,0|0,0,0]=2 118 B8R0.8 C[Se]CCC(N)C(=O)O HY-B1000 [0,2,0,0,0,0|0,1,0]=3 119 B8R0.8 C[Se]CCC(N)C(=O)O HY-B1000R [0,2,0,0,0,0|0,1,0]=3 120 B8R0.8 C[Se]CC[C@H](N)C(=O)O HY-B1000A [0,2,0,0,0,0|0,1,0]=3 121 B8R0.8 NCCCC(N)C(=O)O HY-B1713A [0,2,0,0,0,0|2,0,0]=4 122 B8R0.8 NCCC[C@@H](N)C(=O)O HY-34516 [0,2,0,0,0,0|2,0,0]=4 123 B8R0.8 NCCC[C@H](N)C(=O)O HY-A0282 [0,2,0,0,0,0|2,0,0]=4 124 B8R0.8 NCCC[C@H](N)C(=O)O HY-B1352 [0,2,0,0,0,0|2,0,0]=4 125 B8R0.8 [C@H](N)(CCCN)C(=O)O HY-W017018 [0,2,0,0,0,0|2,0,0]=4 126 B8R0.8 [C@H](N)(CCCN)C(=O)O HY-W017018B [0,2,0,0,0,0|2,0,0]=4 127 B8R0.8 [C@H](N)(CCCN)C(=O)O HY-W017018R [0,2,0,0,0,0|2,0,0]=4 128 B8R0.9 C#CC(N)CCC(=O)O HY-131693A [0,2,0,0,0,0|1,0,1]=4 129 B8R0.9 C=CC(N)CCC(=O)O HY-B0033 [0,2,0,0,0,0|1,0,1]=4 130 B8R0.9 COC(=O)CCC(C)=O HY-N3272 [0,2,0,0,0,0|0,1,1]=4 131 B8R0.5 CCCC(O)CC(=O)O HY-113836 [0,2,0,0,0,0|1,0,0]=3 132 B8R0.5 COCC(C)OC(C)=O HY-W133953 [0,2,0,0,0,0|1,1,0]=4 133 B8R0.28 CC(=O)CCC=C(C)C HY-W010435 [0,2,0,0,0,0|1,0,1]=4 134 B8R0.28 CC(=O)CCCC(=O)O HY-W001957 [0,2,0,0,0,0|1,0,0]=3 135 B8R0.28 CC(=O)NCCC(=O)O HY-66007 [0,2,0,0,0,0|2,0,0]=4 136 B8R0.28 O=C(O)CCCC(=O)O HY-W008820 [0,2,0,0,0,0|2,0,0]=4 137 B8R0.28 O=C(O)CCCC(=O)O HY-W008820R [0,2,0,0,0,0|2,0,0]=4 138 B6R1.1 C1CSCCN1 HY-W007359 [1,0,0,1,0,0|1,0,1]=4 139 B6R1.1 C1CSCSC1 HY-W001189 [1,0,0,1,0,0|0,1,0]=3 140 B6R1.2 CN1CCCC1 HY-128383 [1,0,0,1,0,0|1,0,1]=4 141 B6R1.2 F[C@@H]1CCNC1 HY-40421 [1,0,0,1,0,0|2,0,0]=4 142 B6R1.2 N=C1CCCS1 HY-W015798 [1,0,0,1,0,0|1,0,0]=3 143 B6R1.2 O=C1C=CCC1 HY-W010643 [1,0,0,1,0,0|0,0,2]=4 144 B6R1.2 O=C1CCOC1 HY-33900 [1,0,0,1,0,0|0,1,0]=3 145 B6R1.2 O=C1CCSC1 HY-W010594 [1,0,0,1,0,0|0,0,0]=2 146 B6R1.2 O=C1NCCN1 HY-W031536 [1,0,0,1,0,0|2,0,0]=4 147 B6R1.2 O[C@H]1CCOC1 HY-76476 [1,0,0,1,0,0|0,1,1]=4 148 B6R1.3 COC[C@H]1CO1 HY-Z1630 [1,0,0,1,0,0|0,1,1]=4 149 B6R1.6 OCC1CNC1 HY-21336 [1,0,0,1,0,0|1,0,1]=4 150 B6R1.6 OCC1COC1 HY-W004925 [1,0,0,1,0,0|0,1,1]=4 151 B8R1.5 CC1CCCCC1=O HY-W010549 [0,1,0,1,0,0|1,0,0]=3 152 B8R1.5 NC1CCCNC1=O HY-21088 [0,1,0,1,0,0|2,0,0]=4 153 B8R1.5 N[C@H]1CCCNC1=O HY-W003592A [0,1,0,1,0,0|2,0,0]=4 154 B8R1.5 O=C1CCCCC1=O HY-W007347 [0,1,0,1,0,0|1,0,1]=4 155 B8R1.11 C=CN1CCCC1=O HY-W392209A [0,1,0,1,0,0|1,0,1]=4 156 B8R1.11 CCN1CCCC1=O HY-B1620 [0,1,0,1,0,0|1,0,0]=3 157 B8R1.11 CCN1CCCC1=O HY-B1620B [0,1,0,1,0,0|1,0,0]=3 158 B8R1.11 CCN1CCCC1=O HY-B1620H [0,1,0,1,0,0|1,0,0]=3 159 B8R1.11 CCN1CCCC1=O HY-B1620I [0,1,0,1,0,0|1,0,0]=3 160 B8R1.11 CCN1CCCC1=O HY-B1620J [0,1,0,1,0,0|1,0,0]=3 161 B8R1.11 CCN1CCCC1=O HY-B1620L [0,1,0,1,0,0|1,0,0]=3 162 B8R1.11 CCN1CCCC1=O HY-B1620O [0,1,0,1,0,0|1,0,0]=3 163 B8R1.22 O=C1CCCCCN1 HY-W010542 [0,1,0,1,0,0|1,0,0]=3 164 B8R1.22 O=C1CCCCCO1 HY-W015891 [0,1,0,1,0,0|1,0,0]=3 165 B8R1.22 O=C1CCCCCO1 HY-W392100B [0,1,0,1,0,0|1,0,0]=3 166 B8R1.22 O=C1CCCNCC1 HY-W001845 [0,1,0,1,0,0|1,0,0]=3 167 B8R1.1 CCC1CCC(=O)O1 HY-W015892 [0,1,0,1,0,0|1,0,0]=3 168 B8R1.3 O=C1CCC(=O)CC1 HY-W010554 [0,1,0,1,0,0|1,0,1]=4 169 B8R1.50 N[C@@H]1CCN(O)C1=O HY-100822 [0,1,0,1,0,0|2,0,0]=4 170 B8R1.4 O=C1CCCC(=O)C1 HY-W007466 [0,1,0,1,0,0|1,0,0]=3 171 B8R1.4 O=C1CCCC(=O)N1 HY-I0466 [0,1,0,1,0,0|2,0,0]=4 172 B8R1.7 NC(=O)[C@@H]1CCCN1 HY-20582 [0,1,0,1,0,0|2,0,0]=4 173 B8R1.7 NC(=O)[C@@H]1CCCN1 HY-W017413 [0,1,0,1,0,0|2,0,0]=4 174 B8R1.7 NC(=O)[C@H]1CCCN1 HY-W012921 [0,1,0,1,0,0|2,0,0]=4 175 B8R1.7 O=C(O)C1CCCN1 HY-W012908 [0,1,0,1,0,0|2,0,0]=4 176 B8R1.7 O=C(O)C1CSCN1 HY-B1169 [0,1,0,1,0,0|1,0,0]=3 177 B8R1.7 O=C(O)C1CSSC1 HY-50730 [0,1,0,1,0,0|1,0,0]=3 178 B8R1.7 O=C(O)[C@@H]1CCCN1 HY-WAA0253 [0,1,0,1,0,0|2,0,0]=4 179 B8R1.7 O=C(O)[C@@H]1CCCN1 HY-Y0252 [0,1,0,1,0,0|2,0,0]=4 180 B8R1.7 O=C(O)[C@@H]1CCCN1 HY-Y0252R [0,1,0,1,0,0|2,0,0]=4 181 B8R1.7 O=C(O)[C@@H]1CCNC1 HY-60256 [0,1,0,1,0,0|1,0,0]=3 182 B8R1.7 O=C(O)[C@@H]1CSCN1 HY-W012676 [0,1,0,1,0,0|1,0,0]=3 183 B8R1.7 O=C(O)[C@H]1CCCN1 HY-75087 [0,1,0,1,0,0|2,0,0]=4 184 B8R1.7 O=C(O)[C@H]1CCCO1 HY-W005223 [0,1,0,1,0,0|2,0,0]=4