0 B6R0.6 BrCCOCCBr HY-W013458 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.6 C#CCOCCO HY-43614 [0,0,0,0,0,0|1,0,3]=4 2 B6R0.6 C(CO)=CCCC HY-W015936 [0,0,0,0,0,0|0,0,2]=2 3 B6R0.6 C=CCCCCO HY-W012995 [0,0,0,0,0,0|0,0,4]=4 4 B6R0.6 CCCCCCO HY-W032022 [0,0,0,0,0,0|0,0,2]=2 5 B6R0.6 CCC\C=C\C=O HY-128429 [0,0,0,0,0,0|2,0,1]=3 6 B6R0.6 CC\C=C/CCO HY-W010607 [0,0,0,0,0,0|0,0,0]=0 7 B6R0.6 C\C=C\C=C\CO HY-W017690 [0,0,0,0,0,0|0,0,2]=2 8 B6R0.6 ClCCNCCCl HY-Y0881 [0,0,0,0,0,0|3,0,1]=4 9 B6R0.6 NCCCCCN HY-W016750 [0,0,0,0,0,0|2,0,2]=4 10 B6R0.6 NCCCCCO HY-W012971 [0,0,0,0,0,0|1,0,2]=3 11 B6R0.6 NCCOCCN HY-140208 [0,0,0,0,0,0|3,0,1]=4 12 B6R0.6 NCCOCCN HY-140648 [0,0,0,0,0,0|3,0,1]=4 13 B6R0.6 OCCOCCBr HY-141213 [0,0,0,0,0,0|2,0,1]=3 14 B6R0.6 OCCOCCO HY-B1952 [0,0,0,0,0,0|2,0,1]=3 15 B6R0.6 SCCOCCS HY-145485 [0,0,0,0,0,0|2,1,1]=4 16 B5R0.2 C#CCCCO HY-W010642 [1,0,0,0,0,0|0,0,3]=4 17 B5R0.2 CCCSSC HY-N7436 [1,0,0,0,0,0|2,0,1]=4 18 B5R0.2 CCSCCCl HY-W199190 [1,0,0,0,0,0|2,0,0]=3 19 B5R0.2 CC\C=C/CO HY-W030347 [1,0,0,0,0,0|0,0,0]=1 20 B5R0.2 CC\C=C\C=O HY-W111375 [1,0,0,0,0,0|0,0,2]=3 21 B5R0.2 NCCCCO HY-W002041 [1,0,0,0,0,0|1,0,1]=3 22 B5R0.2 OC\C=C/CO HY-W027631 [1,0,0,0,0,0|1,0,0]=2 23 B5R0.2 [N-]=[N+]=NCCO HY-138461 [1,0,0,0,0,0|3,0,0]=4 24 B7R0.1 C(C=O)=C/C=CCC HY-W012952 [0,1,0,0,0,0|0,0,3]=4 25 B7R0.1 CCCCCCCO HY-W099504 [0,1,0,0,0,0|0,0,2]=3 26 B7R0.1 CCCC\C=C\C=O HY-W127398 [0,1,0,0,0,0|2,0,1]=4 27 B7R0.1 CCCSSCCC HY-W196803 [0,1,0,0,0,0|2,0,1]=4 28 B7R0.1 COCCOCCN HY-140675 [0,1,0,0,0,0|2,0,1]=4 29 B7R0.1 COCCOCCN HY-140676 [0,1,0,0,0,0|2,0,1]=4 30 B7R0.1 COCCOCCN HY-140677 [0,1,0,0,0,0|2,0,1]=4 31 B7R0.1 COCCOCCN HY-140678 [0,1,0,0,0,0|2,0,1]=4 32 B7R0.1 COCCOCCN HY-140679 [0,1,0,0,0,0|2,0,1]=4 33 B7R0.1 COCCOCCN HY-155881 [0,1,0,0,0,0|2,0,1]=4 34 B7R0.1 COCCOCCN HY-155882 [0,1,0,0,0,0|2,0,1]=4 35 B7R0.1 COCCOCCN HY-W008429 [0,1,0,0,0,0|2,0,1]=4 36 B7R0.1 COCCOCCN HY-W598230A [0,1,0,0,0,0|2,0,1]=4 37 B7R0.1 COCCOCCO HY-140696 [0,1,0,0,0,0|1,0,1]=3 38 B7R0.1 COCCOCCO HY-140696B [0,1,0,0,0,0|1,0,1]=3 39 B7R0.1 COCCOCCO HY-140696D [0,1,0,0,0,0|1,0,1]=3 40 B7R0.1 COCCOCCO HY-140696E [0,1,0,0,0,0|1,0,1]=3 41 B7R0.1 COCCOCCO HY-W012862 [0,1,0,0,0,0|1,0,1]=3 42 B7R0.1 COCCOCCS HY-140706 [0,1,0,0,0,0|1,1,1]=4 43 B7R0.1 COCCOCCS HY-140708 [0,1,0,0,0,0|1,1,1]=4 44 B7R0.1 COCCOCCS HY-W591476 [0,1,0,0,0,0|1,1,1]=4 45 B7R0.1 COCCOCCS HY-W591476B [0,1,0,0,0,0|1,1,1]=4 46 B7R0.1 COCCOCCS HY-W591476C [0,1,0,0,0,0|1,1,1]=4 47 B7R0.1 ClCCCCCCBr HY-W009787 [0,1,0,0,0,0|1,0,2]=4 48 B7R0.1 NCCCCCCO HY-W007957 [0,1,0,0,0,0|0,0,2]=3 49 B7R0.1 NCCCNCCS HY-103640 [0,1,0,0,0,0|1,1,1]=4 50 B7R0.1 NCCCNCCS HY-137864 [0,1,0,0,0,0|1,1,1]=4 51 B7R0.1 NCCOCCON HY-W451406A [0,1,0,0,0,0|2,0,1]=4 52 B7R0.1 NCCOCCON HY-W451406C [0,1,0,0,0,0|2,0,1]=4 53 B7R0.1 NCCSSCCN HY-124476 [0,1,0,0,0,0|3,0,0]=4 54 B7R0.1 NCCSSCCN HY-W020050 [0,1,0,0,0,0|3,0,0]=4 55 B7R0.1 NOCCOCCO HY-126951 [0,1,0,0,0,0|2,0,1]=4 56 B7R0.1 OCCCCCCBr HY-W016455 [0,1,0,0,0,0|0,0,2]=3 57 B7R0.1 OCCCCCCCl HY-41681 [0,1,0,0,0,0|0,0,2]=3 58 B7R0.1 OCCCCCCO HY-W010505 [0,1,0,0,0,0|0,0,2]=3 59 B7R0.1 OCCSSCCO HY-W076898A [0,1,0,0,0,0|2,0,0]=3 60 B7R0.3 COC(=O)CCCBr HY-W004701 [0,1,0,0,0,0|2,0,1]=4 61 B7R0.3 COC(=O)CCCN HY-79594 [0,1,0,0,0,0|2,0,1]=4 62 B7R0.4 CCCCCC(C)N HY-B0952 [0,1,0,0,0,0|1,0,2]=4 63 B7R0.4 CCCCCC(C)O HY-W015879 [0,1,0,0,0,0|0,0,2]=3 64 B7R0.4 CCC\C=C\C(=O)O HY-W010531 [0,1,0,0,0,0|0,0,3]=4 65 B7R0.4 CC\C=C\CC(=O)O HY-W010532 [0,1,0,0,0,0|0,0,1]=2 66 B7R0.4 C\C=C\C=C\C(=O)O HY-N0626 [0,1,0,0,0,0|0,0,3]=4 67 B7R0.4 C\C=C\C=C\C(=O)O HY-N0626R [0,1,0,0,0,0|0,0,3]=4 68 B7R0.7 CCOC(=O)CCN HY-Y1153 [0,1,0,0,0,0|2,0,0]=3 69 B7R1.1 NC[C@@H]1CCCO1 HY-W010600 [0,0,0,1,0,0|1,0,2]=4 70 B7R1.1 OCC1=CC=CS1 HY-34751 [0,0,0,1,0,0|1,0,2]=4 71 B7R1.1 OCC1=COC=C1 HY-W007708 [0,0,0,1,0,0|1,0,2]=4 72 B7R1.1 OC[C@@H]1CCCN1 HY-Y1126 [0,0,0,1,0,0|1,0,1]=3 73 B7R1.1 OC[C@@H]1CCNC1 HY-60263 [0,0,0,1,0,0|1,0,1]=3 74 B7R1.3 BrC1CCOCC1 HY-W003396 [0,0,0,1,0,0|2,0,1]=4 75 B7R1.3 CC1CCOCO1 HY-W111914 [0,0,0,1,0,0|1,0,2]=4 76 B7R1.3 C[C@@H]1CNCCN1 HY-34767 [0,0,0,1,0,0|2,0,1]=4 77 B7R1.3 O=C1C=CCCN1 HY-W006454 [0,0,0,1,0,0|2,0,1]=4 78 B7R1.3 OC1CCCCC1 HY-Y1217 [0,0,0,1,0,0|0,0,2]=3 79 B7R1.4 O[C@@H]1CNC[C@H]1F HY-W062336 [0,0,0,1,0,0|2,0,1]=4 80 B4R0.2 BrCCCBr HY-Y1806 [2,0,0,0,0,0|2,0,0]=4 81 B4R0.2 C#CCCO HY-W001947 [2,0,0,0,0,0|0,0,2]=4 82 B4R0.2 C=CCCN HY-W019321 [2,0,0,0,0,0|1,0,0]=3 83 B4R0.2 C=CCSC HY-128447 [2,0,0,0,0,0|2,0,0]=4 84 B4R0.2 CNCCO HY-Y1783 [2,0,0,0,0,0|1,0,0]=3 85 B4R0.2 COCCO HY-139415 [2,0,0,0,0,0|1,0,0]=3 86 B4R0.2 NCCCO HY-Y0139 [2,0,0,0,0,0|1,0,0]=3 87 B4R0.2 O=CCCO HY-N8461 [2,0,0,0,0,0|1,0,0]=3 88 B4R0.2 OCCCBr HY-W007337 [2,0,0,0,0,0|1,0,0]=3 89 B4R0.2 OCCCO HY-W017758 [2,0,0,0,0,0|1,0,0]=3 90 B4R0.2 OCCCS HY-W090210 [2,0,0,0,0,0|1,0,0]=3 91 B6R0.1 CCOC(=O)CN HY-76204 [1,1,0,0,0,0|2,0,0]=4 92 B6R0.1 COC(=O)CCN HY-W007648 [1,1,0,0,0,0|2,0,0]=4 93 B6R0.1 COC(=O)CCO HY-42569 [1,1,0,0,0,0|1,0,0]=3 94 B6R0.1 O=C(CCO)O[Na] HY-W095705A [1,1,0,0,0,0|2,0,0]=4 95 B6R0.4 CC(C)CCCO HY-W007511 [1,1,0,0,0,0|0,0,1]=3 96 B6R0.4 CCCCB(O)O HY-W000932 [1,1,0,0,0,0|1,0,1]=4 97 B6R0.4 CCNCC(=O)O HY-W141879 [1,1,0,0,0,0|1,0,1]=4 98 B6R0.4 CCOCC(=O)O HY-W027555 [1,1,0,0,0,0|1,0,1]=4 99 B6R0.4 CC\C=C\C(=O)O HY-W061674 [1,1,0,0,0,0|0,0,1]=3 100 B6R0.4 C\C=C\CC(=O)O HY-W088501 [1,1,0,0,0,0|0,0,1]=3 101 B6R0.4 NC\C=C\C(=O)O HY-100800 [1,1,0,0,0,0|1,0,1]=4 102 B8R0.1 CCOC(=O)CCCN HY-W010078 [0,2,0,0,0,0|1,0,1]=4 103 B8R0.4 C#CCCCCCCO HY-W008554 [0,2,0,0,0,0|0,0,2]=4 104 B8R0.4 C=CCCCCCCO HY-W127366 [0,2,0,0,0,0|0,0,2]=4 105 B8R0.4 CCCCCCCCO HY-W032013 [0,2,0,0,0,0|0,0,2]=4 106 B8R0.4 CC\C=C/CCCCO HY-W101301 [0,2,0,0,0,0|0,0,0]=2 107 B8R0.4 OCCCCCCCBr HY-W008425 [0,2,0,0,0,0|0,0,2]=4 108 B8R0.6 C=CC(O)CCCCC HY-W010410 [0,2,0,0,0,0|0,0,2]=4 109 B8R0.6 CCCCCC(O)CC HY-W099689 [0,2,0,0,0,0|0,0,2]=4 110 B8R0.3 CCCC(=O)C(=O)OC HY-W127546 [0,2,0,0,0,0|2,0,0]=4 111 B8R0.3 CCOC(=O)C(O)CC HY-W127500 [0,2,0,0,0,0|2,0,0]=4 112 B8R0.3 CCOC(=O)[C@H](N)CO HY-W042010 [0,2,0,0,0,0|1,0,0]=3 113 B8R0.8 C=C(C)C(=O)OCCO HY-W012723 [0,2,0,0,0,0|1,0,1]=4 114 B8R0.9 CCC(=O)NCC(=O)O HY-W587803 [0,2,0,0,0,0|1,0,1]=4 115 B8R0.11 CCN(CC)CCCO HY-W010383 [0,2,0,0,0,0|1,0,1]=4 116 B8R0.5 CCOC(=O)CC(=O)O HY-Y1031 [0,2,0,0,0,0|1,0,1]=4 117 B8R0.5 CCOC(=O)CC(C)O HY-W012701 [0,2,0,0,0,0|1,0,0]=3 118 B8R0.5 CCOC(=O)C[C@H](C)O HY-W076441 [0,2,0,0,0,0|1,0,0]=3 119 B6R1.1 C1CSCCN1 HY-W007359 [1,0,0,1,0,0|1,1,0]=4 120 B6R1.2 F[C@@H]1CCNC1 HY-40421 [1,0,0,1,0,0|2,0,0]=4 121 B6R1.2 O=C1C=CCC1 HY-W010643 [1,0,0,1,0,0|0,0,2]=4 122 B6R1.2 O=C1C=CCO1 HY-W008270 [1,0,0,1,0,0|1,0,1]=4 123 B6R1.2 O[C@H]1CCOC1 HY-76476 [1,0,0,1,0,0|1,0,0]=3 124 B6R1.3 COC[C@H]1CO1 HY-Z1630 [1,0,0,1,0,0|1,0,1]=4 125 B6R1.6 OCC1CNC1 HY-21336 [1,0,0,1,0,0|1,0,1]=4 126 B6R1.6 OCC1COC1 HY-W004925 [1,0,0,1,0,0|1,0,1]=4 127 B8R1.2 OCC1CCC=CO1 HY-34692 [0,1,0,1,0,0|0,0,0]=2 128 B8R1.2 OCC1CCCCO1 HY-115051 [0,1,0,1,0,0|0,0,2]=4 129 B8R1.2 OCC1CCOCC1 HY-79631 [0,1,0,1,0,0|0,0,2]=4 130 B8R1.5 CC1CCCCC1=O HY-W010549 [0,1,0,1,0,0|1,0,1]=4 131 B8R1.5 O[C@@H]1CCCC[C@H]1O HY-W010514 [0,1,0,1,0,0|0,0,2]=4 132 B8R1.8 OCCN1CCCC1 HY-W010519 [0,1,0,1,0,0|0,0,2]=4 133 B8R1.11 CCN1CCCC1=O HY-B1620 [0,1,0,1,0,0|2,0,0]=4 134 B8R1.11 CCN1CCCC1=O HY-B1620B [0,1,0,1,0,0|2,0,0]=4 135 B8R1.11 CCN1CCCC1=O HY-B1620H [0,1,0,1,0,0|2,0,0]=4 136 B8R1.11 CCN1CCCC1=O HY-B1620I [0,1,0,1,0,0|2,0,0]=4 137 B8R1.11 CCN1CCCC1=O HY-B1620J [0,1,0,1,0,0|2,0,0]=4 138 B8R1.11 CCN1CCCC1=O HY-B1620L [0,1,0,1,0,0|2,0,0]=4 139 B8R1.11 CCN1CCCC1=O HY-B1620O [0,1,0,1,0,0|2,0,0]=4 140 B8R1.11 CN1CCC[C@H]1CO HY-W019679 [0,1,0,1,0,0|0,0,2]=4 141 B8R1.22 O=C1CCCCCN1 HY-W010542 [0,1,0,1,0,0|2,0,0]=4 142 B8R1.22 O=C1CCCCCO1 HY-W015891 [0,1,0,1,0,0|2,0,0]=4 143 B8R1.22 O=C1CCCCCO1 HY-W392100B [0,1,0,1,0,0|2,0,0]=4 144 B8R1.22 O=C1CCCNCC1 HY-W001845 [0,1,0,1,0,0|1,0,1]=4 145 B8R1.1 CC1=CC=C(CO)O1 HY-W087919 [0,1,0,1,0,0|0,0,2]=4 146 B8R1.1 CCC1CCC(=O)O1 HY-W015892 [0,1,0,1,0,0|2,0,0]=4 147 B8R1.3 CN1CCC(O)CC1 HY-W018626 [0,1,0,1,0,0|1,0,1]=4 148 B8R1.3 N[C@H]1CC[C@H](O)CC1 HY-79722 [0,1,0,1,0,0|0,0,2]=4 149 B8R1.50 O=C1OCC(O)[C@@H]1O HY-W357137 [0,1,0,1,0,0|2,0,0]=4 150 B8R1.4 CC1CCN=C(N)C1 HY-138564 [0,1,0,1,0,0|2,0,0]=4 151 B8R1.7 O=C(O)[C@@H]1C=CCN1 HY-W015897 [0,1,0,1,0,0|1,0,1]=4