0 B6R0.6 C(CO)=CCCC HY-W015936 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.6 C=CCCCCO HY-W012995 [0,0,0,0,0,0|2,0,2]=4 2 B6R0.6 C=CCSSSC HY-134900 [0,0,0,0,0,0|4,0,0]=4 3 B6R0.6 CCCCCCO HY-W032022 [0,0,0,0,0,0|0,0,4]=4 4 B6R0.6 CCC\C=C\C=O HY-128429 [0,0,0,0,0,0|0,0,2]=2 5 B6R0.6 CC\C=C/CCO HY-W010607 [0,0,0,0,0,0|0,0,2]=2 6 B6R0.6 C\C=C\C=C\CO HY-W017690 [0,0,0,0,0,0|2,0,1]=3 7 B5R0.2 CCSCCCl HY-W199190 [1,0,0,0,0,0|2,0,1]=4 8 B5R0.2 CC\C=C/CO HY-W030347 [1,0,0,0,0,0|0,0,1]=2 9 B5R0.2 CC\C=C\C=O HY-W111375 [1,0,0,0,0,0|0,0,0]=1 10 B5R0.2 OC\C=C/CO HY-W027631 [1,0,0,0,0,0|1,0,1]=3 11 B7R0.1 C(C=O)=C/C=CCC HY-W012952 [0,1,0,0,0,0|0,0,1]=2 12 B7R0.1 CCCC\C=C\C=O HY-W127398 [0,1,0,0,0,0|0,0,2]=3 13 B7R0.4 CCC\C=C\C(=O)O HY-W010531 [0,1,0,0,0,0|0,0,2]=3 14 B7R0.4 CC\C=C\CC(=O)O HY-W010532 [0,1,0,0,0,0|0,0,0]=1 15 B7R0.4 C\C=C\C=C\C(=O)O HY-N0626 [0,1,0,0,0,0|0,0,2]=3 16 B7R0.4 C\C=C\C=C\C(=O)O HY-N0626R [0,1,0,0,0,0|0,0,2]=3 17 B7R0.4 C\C=C\C=C\C(=O)[O-] HY-N0626A [0,1,0,0,0,0|0,0,2]=3 18 B7R0.4 C\C=C\C=C\C(=O)[O-] HY-N0626AR [0,1,0,0,0,0|0,0,2]=3 19 B7R0.4 NCCCCC(=O)O HY-W015878 [0,1,0,0,0,0|1,0,2]=4 20 B7R0.4 NCCOCC(=O)O HY-140643 [0,1,0,0,0,0|2,0,1]=4 21 B7R0.4 NCCOCC(=O)O HY-140644 [0,1,0,0,0,0|2,0,1]=4 22 B7R0.4 O=C(Cl)CCCCBr HY-43538 [0,1,0,0,0,0|1,0,2]=4 23 B7R0.4 O=C(O)CCCCBr HY-W016456 [0,1,0,0,0,0|1,0,2]=4 24 B7R0.4 O=C(O)COCCBr HY-130163 [0,1,0,0,0,0|2,0,1]=4 25 B7R0.4 O=C(O)COCCS HY-140730 [0,1,0,0,0,0|2,0,1]=4 26 B7R0.7 CCOC(=O)CCN HY-Y1153 [0,1,0,0,0,0|2,0,1]=4 27 B7R1.1 CCN1C=CC=N1 HY-Z1094 [0,0,0,1,0,0|2,0,1]=4 28 B7R1.1 O=CC1=CC=CS1 HY-W012941 [0,0,0,1,0,0|1,0,2]=4 29 B7R1.1 O=CC1=CNC=C1 HY-59307 [0,0,0,1,0,0|1,0,2]=4 30 B7R1.1 OCC1=CC=CS1 HY-34751 [0,0,0,1,0,0|1,1,1]=4 31 B7R1.1 OCC1=CN=CS1 HY-W012905 [0,0,0,1,0,0|2,1,0]=4 32 B7R1.1 OCC1=COC=C1 HY-W007708 [0,0,0,1,0,0|3,0,0]=4 33 B7R1.3 O=C1C=CC=CN1 HY-Y0191 [0,0,0,1,0,0|1,0,2]=4 34 B7R1.3 O=C1C=CCCN1 HY-W006454 [0,0,0,1,0,0|1,0,2]=4 35 B7R1.3 O=C1CCCCN1 HY-W042193 [0,0,0,1,0,0|1,0,2]=4 36 B7R1.3 O=C1CCCCO1 HY-W012997 [0,0,0,1,0,0|1,0,2]=4 37 B7R1.3 O=C1CCOCC1 HY-76487 [0,0,0,1,0,0|1,0,1]=3 38 B7R1.3 O=C1CCSCC1 HY-W002007 [0,0,0,1,0,0|1,0,1]=3 39 B7R1.3 O=C1CNCCN1 HY-20128 [0,0,0,1,0,0|2,0,1]=4 40 B7R1.4 CN1C=CN=C1S HY-B0208 [0,0,0,1,0,0|2,1,0]=4 41 B7R1.4 CN1CCCC1=O HY-Y1275 [0,0,0,1,0,0|1,0,2]=4 42 B7R1.4 CN1SC=CC1=O HY-W010243 [0,0,0,1,0,0|2,0,1]=4 43 B7R1.4 CN1SC=CC1=O HY-W010520 [0,0,0,1,0,0|2,0,1]=4 44 B4R0.2 C=CCCN HY-W019321 [2,0,0,0,0,0|1,0,1]=4 45 B4R0.2 C=CCSC HY-128447 [2,0,0,0,0,0|1,0,1]=4 46 B4R0.2 O=CCCO HY-N8461 [2,0,0,0,0,0|1,0,0]=3 47 B6R0.1 C=CCC(=O)OC HY-W105369 [1,1,0,0,0,0|2,0,0]=4 48 B6R0.1 CCOC(=O)CN HY-76204 [1,1,0,0,0,0|2,0,0]=4 49 B6R0.4 C=CCCC(=O)O HY-Y0624 [1,1,0,0,0,0|0,0,2]=4 50 B6R0.4 CCCCC(N)=O HY-W144037 [1,1,0,0,0,0|0,0,1]=3 51 B6R0.4 CCNCC(=O)O HY-W141879 [1,1,0,0,0,0|1,0,0]=3 52 B6R0.4 CCOCC(=O)O HY-W027555 [1,1,0,0,0,0|1,0,0]=3 53 B6R0.4 CC\C=C\C(=O)O HY-W061674 [1,1,0,0,0,0|0,0,0]=2 54 B6R0.4 CSCCC(=O)O HY-101401 [1,1,0,0,0,0|1,0,1]=4 55 B6R0.4 C\C=C\CC(=O)O HY-W088501 [1,1,0,0,0,0|0,0,0]=2 56 B6R0.4 NCCCC(=O)O HY-N0067 [1,1,0,0,0,0|1,0,1]=4 57 B6R0.4 NCCCC(=O)O HY-N0067R [1,1,0,0,0,0|1,0,1]=4 58 B6R0.4 NC\C=C\C(=O)O HY-100800 [1,1,0,0,0,0|1,0,0]=3 59 B6R0.4 O=CNCC(=O)O HY-128735 [1,1,0,0,0,0|2,0,0]=4 60 B8R0.1 CCOC(=O)CNC=O HY-W141893 [0,2,0,0,0,0|1,0,0]=3 61 B8R0.4 CCCCCCCC=O HY-N8015 [0,2,0,0,0,0|0,0,2]=4 62 B8R0.4 CC\C=C/CCCCO HY-W101301 [0,2,0,0,0,0|0,0,2]=4 63 B8R0.4 COCCOCCC=O HY-W1049075C [0,2,0,0,0,0|0,0,2]=4 64 B8R0.6 CCCCCC(=O)O[Na] HY-W099696 [0,2,0,0,0,0|0,0,2]=4 65 B8R0.6 C\C=C\C=C\C(=O)OC HY-W068700 [0,2,0,0,0,0|0,0,2]=4 66 B8R0.7 CCCCCCC(C)=O HY-W010409 [0,2,0,0,0,0|0,0,2]=4 67 B8R0.7 COCCOCC(=O)O HY-W1048558A [0,2,0,0,0,0|1,0,1]=4 68 B8R0.7 NCCOCCC(=O)O HY-140002 [0,2,0,0,0,0|1,0,1]=4 69 B8R0.7 O=C(O)CCOCCO HY-116655 [0,2,0,0,0,0|1,0,1]=4 70 B8R0.8 CCCCC(C)C(=O)O HY-128371 [0,2,0,0,0,0|0,0,2]=4 71 B8R0.8 CCCCC(N)C(=O)O HY-W012709 [0,2,0,0,0,0|0,0,2]=4 72 B8R0.8 CCCCC(O)C(=O)O HY-75954 [0,2,0,0,0,0|0,0,2]=4 73 B8R0.8 CCCC[C@@H](N)C(=O)O HY-41912A [0,2,0,0,0,0|0,0,2]=4 74 B8R0.8 CCCC[C@H](N)C(=O)O HY-Y0017 [0,2,0,0,0,0|0,0,2]=4 75 B8R0.9 CCC(=O)NCC(=O)O HY-W587803 [0,2,0,0,0,0|1,0,0]=3 76 B8R0.9 COC(=O)CCC(C)=O HY-N3272 [0,2,0,0,0,0|1,0,1]=4 77 B8R0.9 COC(=O)\C=C\C(=O)O HY-103252 [0,2,0,0,0,0|1,0,1]=4 78 B8R0.9 NCC(=O)CCC(=O)O HY-N0305 [0,2,0,0,0,0|1,0,1]=4 79 B8R0.9 NCC(=O)CCC(=O)O HY-N0305R [0,2,0,0,0,0|1,0,1]=4 80 B8R0.9 NCC(=O)NCC(=O)O HY-D0889R [0,2,0,0,0,0|2,0,0]=4 81 B8R0.5 CCCC(O)CC(=O)O HY-113836 [0,2,0,0,0,0|0,0,2]=4 82 B8R0.5 CCOC(=O)CC(=O)O HY-Y1031 [0,2,0,0,0,0|1,0,0]=3 83 B8R0.5 CCOC(=O)CC(C)=O HY-Y1093 [0,2,0,0,0,0|1,0,0]=3 84 B8R0.5 CCOC(=O)C[N+](=O)[O-] HY-76486 [0,2,0,0,0,0|2,0,0]=4 85 B8R0.28 CC(=O)CCC=C(C)C HY-W010435 [0,2,0,0,0,0|0,0,2]=4 86 B8R0.28 O=C(O)\C=C\CC(=O)O HY-W073501 [0,2,0,0,0,0|1,0,1]=4 87 B8R0.28 O=C(O)\C=C\CC(=O)O HY-W073501A [0,2,0,0,0,0|1,0,1]=4 88 B6R1.2 CC1=CC=CS1 HY-W010615 [1,0,0,1,0,0|0,1,1]=4 89 B6R1.2 CN1C=CN=C1 HY-59137 [1,0,0,1,0,0|2,0,0]=4 90 B6R1.2 O=C1C=CCC1 HY-W010643 [1,0,0,1,0,0|0,0,0]=2 91 B6R1.2 O=C1C=CCO1 HY-W008270 [1,0,0,1,0,0|1,0,0]=3 92 B6R1.2 O=C1CCOC1 HY-33900 [1,0,0,1,0,0|1,0,0]=3 93 B6R1.2 O=C1CCSC1 HY-W010594 [1,0,0,1,0,0|1,0,0]=3 94 B8R1.2 CCC1=NC=CN=C1 HY-W040948 [0,1,0,1,0,0|1,0,1]=4 95 B8R1.2 OCC1CCC=CO1 HY-34692 [0,1,0,1,0,0|0,0,2]=4 96 B8R1.5 CC1CCCCC1=O HY-W010549 [0,1,0,1,0,0|0,0,2]=4 97 B8R1.8 NCCC1=CN=CN1 HY-B0722 [0,1,0,1,0,0|2,0,0]=4 98 B8R1.8 NCCC1=CN=CN1 HY-B0722R [0,1,0,1,0,0|2,0,0]=4 99 B8R1.8 NCCC1=CN=CN1 HY-B1204 [0,1,0,1,0,0|2,0,0]=4 100 B8R1.8 NCCC1=CN=CN1 HY-B1204R [0,1,0,1,0,0|2,0,0]=4 101 B8R1.8 NCCC1=CNC=N1 HY-A0129 [0,1,0,1,0,0|2,0,0]=4 102 B8R1.11 CCN1CCCC1=O HY-B1620 [0,1,0,1,0,0|0,0,2]=4 103 B8R1.11 CCN1CCCC1=O HY-B1620B [0,1,0,1,0,0|0,0,2]=4 104 B8R1.11 CCN1CCCC1=O HY-B1620H [0,1,0,1,0,0|0,0,2]=4 105 B8R1.11 CCN1CCCC1=O HY-B1620I [0,1,0,1,0,0|0,0,2]=4 106 B8R1.11 CCN1CCCC1=O HY-B1620J [0,1,0,1,0,0|0,0,2]=4 107 B8R1.11 CCN1CCCC1=O HY-B1620L [0,1,0,1,0,0|0,0,2]=4 108 B8R1.11 CCN1CCCC1=O HY-B1620O [0,1,0,1,0,0|0,0,2]=4 109 B8R1.22 O=C1CCCCCN1 HY-W010542 [0,1,0,1,0,0|0,0,2]=4 110 B8R1.22 O=C1CCCCCO1 HY-W015891 [0,1,0,1,0,0|0,0,2]=4 111 B8R1.22 O=C1CCCCCO1 HY-W392100B [0,1,0,1,0,0|0,0,2]=4 112 B8R1.22 O=C1CCCNCC1 HY-W001845 [0,1,0,1,0,0|0,0,2]=4 113 B8R1.1 CC1=CC=C(C=O)O1 HY-Y0543 [0,1,0,1,0,0|0,0,2]=4 114 B8R1.1 CC1=CC=C(C=O)S1 HY-34465 [0,1,0,1,0,0|0,0,2]=4 115 B8R1.1 CCC1CCC(=O)O1 HY-W015892 [0,1,0,1,0,0|0,0,2]=4 116 B8R1.3 O=C1CCC(=O)CC1 HY-W010554 [0,1,0,1,0,0|0,0,1]=3 117 B8R1.4 O=C1CCCC(=O)C1 HY-W007466 [0,1,0,1,0,0|0,0,1]=3 118 B8R1.4 O=C1CCCC(=O)N1 HY-I0466 [0,1,0,1,0,0|1,0,1]=4 119 B8R1.4 O=C1CCNC(=O)N1 HY-W012926 [0,1,0,1,0,0|2,0,0]=4 120 B8R1.7 NC(=O)[C@@H]1CCCN1 HY-20582 [0,1,0,1,0,0|1,0,1]=4 121 B8R1.7 NC(=O)[C@@H]1CCCN1 HY-W017413 [0,1,0,1,0,0|1,0,1]=4 122 B8R1.7 NC(=O)[C@H]1CCCN1 HY-W012921 [0,1,0,1,0,0|1,0,1]=4 123 B8R1.7 O=C(O)C1=CCCC1 HY-W005540 [0,1,0,1,0,0|0,0,2]=4 124 B8R1.7 O=C(O)C1CCCN1 HY-W012908 [0,1,0,1,0,0|1,0,1]=4 125 B8R1.7 O=C(O)[C@@H]1C=CCN1 HY-W015897 [0,1,0,1,0,0|1,0,0]=3 126 B8R1.7 O=C(O)[C@@H]1CCCN1 HY-WAA0253 [0,1,0,1,0,0|1,0,1]=4 127 B8R1.7 O=C(O)[C@@H]1CCCN1 HY-Y0252 [0,1,0,1,0,0|1,0,1]=4 128 B8R1.7 O=C(O)[C@@H]1CCCN1 HY-Y0252R [0,1,0,1,0,0|1,0,1]=4 129 B8R1.7 O=C(O)[C@@H]1CCNC1 HY-60256 [0,1,0,1,0,0|1,0,1]=4 130 B8R1.7 O=C(O)[C@H]1CCCN1 HY-75087 [0,1,0,1,0,0|1,0,1]=4 131 B8R1.7 O=C(O)[C@H]1CCCO1 HY-W005223 [0,1,0,1,0,0|1,0,1]=4 132 B8R1.18 CC1=CC(=O)C(C)O1 HY-W010553 [0,1,0,1,0,0|1,0,1]=4 133 B8R1.18 CC1=CC(=O)OC1=O HY-78035 [0,1,0,1,0,0|1,0,1]=4 134 B8R1.18 CC1CC(=O)OC1=O HY-Z0059 [0,1,0,1,0,0|1,0,1]=4