0 B8R1.4 CC1=CC(Br)=CC=N1 HY-W007447 [0,0,0,0,0,0|2,0,2]=4 1 B8R1.4 CC1=CC(C)=O[Ru]O1 HY-W020958 [0,0,0,0,0,0|4,0,0]=4 2 B8R1.4 CC1=CC(Cl)=NC=C1 HY-W010423 [0,0,0,0,0,0|2,0,2]=4 3 B8R1.4 CC1=CC(N)=NC=C1 HY-W003969 [0,0,0,0,0,0|2,0,2]=4 4 B8R1.4 CC1CCCC(C)N1 HY-B1191 [0,0,0,0,0,0|2,0,2]=4 5 B8R1.4 CC1CCN=C(N)C1 HY-138564 [0,0,0,0,0,0|2,0,2]=4 6 B8R1.4 O=C1C=C(O)C=CN1 HY-Y0426 [0,0,0,0,0,0|2,0,2]=4 7 B8R1.4 O=C1CCCC(=O)C1 HY-W007466 [0,0,0,0,0,0|1,0,1]=2 8 B8R1.4 O=C1CCCC(=O)N1 HY-I0466 [0,0,0,0,0,0|2,0,0]=2 9 B8R1.4 O=C1CCNC(=O)N1 HY-W012926 [0,0,0,0,0,0|3,0,0]=3 10 B8R1.4 O=C1COCC(=O)O1 HY-W074326 [0,0,0,0,0,0|3,0,0]=3 11 B7R1.3 O=C1C=CC=CN1 HY-Y0191 [1,0,0,0,0,0|1,0,2]=4 12 B7R1.3 O=C1C=CCCN1 HY-W006454 [1,0,0,0,0,0|1,0,0]=2 13 B7R1.3 O=C1CCCCN1 HY-W042193 [1,0,0,0,0,0|1,0,1]=3 14 B7R1.3 O=C1CCCCO1 HY-W012997 [1,0,0,0,0,0|1,0,1]=3 15 B7R1.3 O=C1CCOCC1 HY-76487 [1,0,0,0,0,0|1,0,2]=4 16 B7R1.3 O=C1CCSCC1 HY-W002007 [1,0,0,0,0,0|1,0,2]=4 17 B7R1.3 O=C1CNCCN1 HY-20128 [1,0,0,0,0,0|2,0,1]=4 18 B9R1.2 CC1=CC(C=O)=CC=C1 HY-78086 [0,1,0,0,0,0|0,0,3]=4 19 B9R1.3 CC1=C(O)C(=O)C=CO1 HY-W012788 [0,1,0,0,0,0|1,0,2]=4 20 B9R1.3 CN1CCCN(C)C1=O HY-Y0100 [0,1,0,0,0,0|3,0,0]=4 21 B9R1.3 O=C1CCCC(=O)C1Br HY-W027690 [0,1,0,0,0,0|1,0,1]=3 22 B9R1.34 CC1=CC(=O)C=C(C)O1 HY-W010469 [0,1,0,0,0,0|1,0,2]=4 23 B9R1.34 CC1=CC(=O)NC(=O)N1 HY-Y1125 [0,1,0,0,0,0|2,0,1]=4 24 B9R1.34 CC1=CC(=O)NC(=S)N1 HY-B0513 [0,1,0,0,0,0|2,0,1]=4 25 B9R1.66 CC1(C)CCCC(=O)C1 HY-79034 [0,1,0,0,0,0|0,0,2]=3 26 B9R1.66 CC1(O)CCOC(=O)C1 HY-107855 [0,1,0,0,0,0|1,0,2]=4 27 B9R1.66 C[C@@]1(O)CCOC(=O)C1 HY-135700 [0,1,0,0,0,0|1,0,2]=4 28 B9R1.69 CC1CNC(=O)NC1=O HY-N6787 [0,1,0,0,0,0|3,0,0]=4 29 B7R0.2 CCC(C)CC(=O)O HY-W010513 [0,0,1,0,0,0|1,0,2]=4 30 B7R0.2 CCC(C)CC(=O)O HY-W010513R [0,0,1,0,0,0|1,0,2]=4 31 B7R0.2 CCC(C)OC(C)=O HY-158759 [0,0,1,0,0,0|1,0,1]=3 32 B7R0.2 COC(=O)CC(C)=O HY-Y1298 [0,0,1,0,0,0|2,0,1]=4 33 B7R0.4 C#CCCCC(=O)O HY-Y0925 [0,0,1,0,0,0|1,0,2]=4 34 B7R0.4 NCCCCC(=O)O HY-W015878 [0,0,1,0,0,0|2,0,1]=4 35 B7R0.4 O=C(Cl)CCCCBr HY-43538 [0,0,1,0,0,0|2,0,1]=4 36 B7R0.4 O=C(O)CCCCBr HY-W016456 [0,0,1,0,0,0|2,0,1]=4 37 B7R0.7 CCOC(=O)CCN HY-Y1153 [0,0,1,0,0,0|2,0,1]=4 38 B7R1.2 CC1=CC(=O)CC1 HY-W013014 [0,0,0,0,1,0|0,0,0]=1 39 B7R1.2 CC1=CC(N)=NN1 HY-75637 [0,0,0,0,1,0|3,0,0]=4 40 B7R1.2 CC1=CC(N)=NO1 HY-W041676 [0,0,0,0,1,0|3,0,0]=4 41 B7R1.2 CC1=CCC(=O)O1 HY-N0548 [0,0,0,0,1,0|1,0,1]=3 42 B7R1.2 CC1CCC(=O)O1 HY-W015938 [0,0,0,0,1,0|1,0,1]=3 43 B7R1.2 O=C1CCC(=O)C1 HY-75355 [0,0,0,0,1,0|1,0,1]=3 44 B7R1.2 O=C1CCC(=O)N1 HY-41877 [0,0,0,0,1,0|2,0,0]=3 45 B7R1.2 O=C1CCC(=O)O1 HY-79369 [0,0,0,0,1,0|2,0,0]=3 46 B7R1.2 O=C1CNC(=S)N1 HY-W012896 [0,0,0,0,1,0|3,0,0]=4 47 B7R1.2 O=C1CSC(=O)N1 HY-59272 [0,0,0,0,1,0|3,0,0]=4 48 B7R1.2 O=C1CSC(=S)N1 HY-W010365 [0,0,0,0,1,0|3,0,0]=4 49 B7R1.4 CN1CCCC1=O HY-Y1275 [0,0,0,0,1,0|1,0,0]=2 50 B7R1.4 CN1CCNC1=O HY-W005507 [0,0,0,0,1,0|2,0,0]=3 51 B7R1.4 NC1CCSC1=O HY-101404 [0,0,0,0,1,0|2,0,1]=4 52 B7R1.4 N[C@H]1CCSC1=O HY-101404A [0,0,0,0,1,0|2,0,1]=4 53 B7R1.4 [C@H]1(N)CCOC1=O HY-W015800 [0,0,0,0,1,0|2,0,1]=4 54 B9R1.48 O=C1CCCCC(=O)C1 HY-W002860 [0,0,0,0,0,1|1,0,1]=3 55 B6R0.1 CCCC(=O)O[Na] HY-B0350A [1,0,1,0,0,0|2,0,0]=4 56 B6R0.1 COC(=O)CCN HY-W007648 [1,0,1,0,0,0|2,0,0]=4 57 B6R0.1 COC(=O)CCO HY-42569 [1,0,1,0,0,0|2,0,0]=4 58 B6R0.2 CC(=O)\C=C(\C)[O-] HY-W020952 [1,0,1,0,0,0|1,0,0]=3 59 B6R0.4 C=CCCC(=O)O HY-Y0624 [1,0,1,0,0,0|1,0,1]=4 60 B6R0.4 CCCCC(N)=O HY-W144037 [1,0,1,0,0,0|1,0,0]=3 61 B6R0.4 CCNCC(=O)O HY-W141879 [1,0,1,0,0,0|2,0,0]=4 62 B6R0.4 CCOCC(=O)O HY-W027555 [1,0,1,0,0,0|2,0,0]=4 63 B6R0.4 CC\C=C\C(=O)O HY-W061674 [1,0,1,0,0,0|1,0,0]=3 64 B6R0.4 CSCCC(=O)O HY-101401 [1,0,1,0,0,0|2,0,0]=4 65 B6R0.4 C\C=C\CC(=O)O HY-W088501 [1,0,1,0,0,0|1,0,1]=4 66 B6R0.4 NCCCC(=O)O HY-N0067 [1,0,1,0,0,0|2,0,0]=4 67 B6R0.4 NCCCC(=O)O HY-N0067R [1,0,1,0,0,0|2,0,0]=4 68 B6R0.4 NC\C=C\C(=O)O HY-100800 [1,0,1,0,0,0|2,0,0]=4 69 B6R0.6 C(CO)=CCCC HY-W015936 [1,0,1,0,0,0|0,0,2]=4 70 B6R0.6 C=CCCCCO HY-W012995 [1,0,1,0,0,0|0,0,2]=4 71 B6R0.6 CCC\C=C\C=O HY-128429 [1,0,1,0,0,0|0,0,0]=2 72 B6R0.6 CC\C=C/CCO HY-W010607 [1,0,1,0,0,0|1,0,1]=4 73 B6R0.6 C\C=C\C=C\CO HY-W017690 [1,0,1,0,0,0|1,0,1]=4 74 B8R0.2 CCC(C)C(=O)C(=O)O HY-113063 [0,1,1,0,0,0|1,0,1]=4 75 B8R0.2 CCC(C)C(=O)C(=O)O HY-113063R [0,1,1,0,0,0|1,0,1]=4 76 B8R0.5 CCOC(=O)C=C(C)C HY-41314 [0,1,1,0,0,0|0,0,0]=2 77 B8R0.5 CCOC(=O)CC(C)=O HY-Y1093 [0,1,1,0,0,0|1,0,1]=4 78 B8R0.5 CCOC(=O)CN(C)C HY-W012705 [0,1,1,0,0,0|1,0,1]=4 79 B8R0.5 COCC(C)OC(C)=O HY-W133953 [0,1,1,0,0,0|1,0,1]=4 80 B8R0.19 CCC(=O)CC(=O)OC HY-W010394 [0,1,1,0,0,0|1,0,1]=4 81 B8R0.6 CCCCCC(=O)O[Na] HY-W099696 [0,1,1,0,0,0|1,0,1]=4 82 B8R0.7 CCCCCCC(C)=O HY-W010409 [0,1,1,0,0,0|0,0,2]=4 83 B8R0.7 COCCOCC(=O)O HY-W1048558A [0,1,1,0,0,0|2,0,0]=4 84 B8R0.8 CCCCC(C)C(=O)O HY-128371 [0,1,1,0,0,0|1,0,1]=4 85 B8R0.8 CCCCC(N)C(=O)O HY-W012709 [0,1,1,0,0,0|1,0,1]=4 86 B8R0.8 CCCCC(O)C(=O)O HY-75954 [0,1,1,0,0,0|1,0,1]=4 87 B8R0.8 CCCC[C@@H](N)C(=O)O HY-41912A [0,1,1,0,0,0|1,0,1]=4 88 B8R0.8 CCCC[C@H](N)C(=O)O HY-Y0017 [0,1,1,0,0,0|1,0,1]=4 89 B8R0.8 CSCCC(N)C(=O)O HY-N0325 [0,1,1,0,0,0|2,0,0]=4 90 B8R0.8 CSCCC(O)C(=O)O HY-116688 [0,1,1,0,0,0|2,0,0]=4 91 B8R0.8 CSCC[C@@H](N)C(=O)O HY-13694 [0,1,1,0,0,0|2,0,0]=4 92 B8R0.8 CSCC[C@H](N)C(=O)O HY-N0326 [0,1,1,0,0,0|2,0,0]=4 93 B8R0.8 CSCC[C@H](N)C(=O)O HY-N0326R [0,1,1,0,0,0|2,0,0]=4 94 B8R0.8 CSCC[C@H](N)C(N)=O HY-W016256 [0,1,1,0,0,0|2,0,0]=4 95 B8R0.8 CSCC[C@H](N)[13C](=O)O HY-N0326S4 [0,1,1,0,0,0|2,0,0]=4 96 B8R0.8 CSCC[C@H]([15NH2])C(=O)O HY-N0326S [0,1,1,0,0,0|2,0,0]=4 97 B8R0.8 C[Se]CCC(N)C(=O)O HY-B1000 [0,1,1,0,0,0|2,0,0]=4 98 B8R0.8 C[Se]CCC(N)C(=O)O HY-B1000R [0,1,1,0,0,0|2,0,0]=4 99 B8R0.8 C[Se]CC[C@H](N)C(=O)O HY-B1000A [0,1,1,0,0,0|2,0,0]=4 100 B8R0.9 C=CC(N)CCC(=O)O HY-B0033 [0,1,1,0,0,0|1,0,1]=4 101 B8R0.28 CC(=O)CCC=C(C)C HY-W010435 [0,1,1,0,0,0|0,0,2]=4 102 B8R0.28 CC(=O)CCCC(=O)O HY-W001957 [0,1,1,0,0,0|1,0,0]=3 103 B8R0.28 CC(=O)NCCC(=O)O HY-66007 [0,1,1,0,0,0|2,0,0]=4 104 B8R0.28 O=C(O)CCCC(=O)O HY-W008820 [0,1,1,0,0,0|2,0,0]=4 105 B8R0.28 O=C(O)CCCC(=O)O HY-W008820R [0,1,1,0,0,0|2,0,0]=4 106 B8R0.1 CCOC(=O)CCCN HY-W010078 [0,1,1,0,0,0|1,0,1]=4 107 B8R0.3 CCCC(=O)C(=O)OC HY-W127546 [0,1,1,0,0,0|1,0,0]=3 108 B8R0.3 CCOC(=O)C(O)CC HY-W127500 [0,1,1,0,0,0|1,0,1]=4 109 B8R1.5 CC1CCCCC1=O HY-W010549 [1,1,0,0,0,0|0,0,2]=4 110 B8R1.5 NC1CCCNC1=O HY-21088 [1,1,0,0,0,0|1,0,1]=4 111 B8R1.5 N[C@H]1CCCNC1=O HY-W003592A [1,1,0,0,0,0|1,0,1]=4 112 B8R1.5 O=C1CCCCC1=O HY-W007347 [1,1,0,0,0,0|0,0,1]=3 113 B8R1.1 CCC1CCC(=O)O1 HY-W015892 [0,1,0,0,1,0|1,0,1]=4 114 B8R1.18 CC1=CC(=O)C(C)O1 HY-W010553 [0,1,0,0,1,0|1,0,0]=3 115 B8R1.18 CC1=CC(=O)OC1=O HY-78035 [0,1,0,0,1,0|1,0,1]=4 116 B8R1.18 CC1CC(=O)OC1=O HY-Z0059 [0,1,0,0,1,0|2,0,0]=4 117 B8R1.50 CC1=C(O)C(=O)CO1 HY-W012927 [0,1,0,0,1,0|1,0,0]=3 118 B8R1.50 O=C1CCC(=O)N1Br HY-Y0775 [0,1,0,0,1,0|2,0,0]=4 119 B8R1.50 O=C1CCC(=O)N1Cl HY-Y0532 [0,1,0,0,1,0|2,0,0]=4 120 B8R1.50 O=C1CCC(=O)N1I HY-ER017 [0,1,0,0,1,0|2,0,0]=4 121 B8R1.50 O=C1CCC(=O)N1O HY-Y0623 [0,1,0,0,1,0|2,0,0]=4 122 B8R1.11 C=CN1CCCC1=O HY-W392209A [0,1,0,0,1,0|1,0,1]=4 123 B8R1.11 CCN1CCCC1=O HY-B1620 [0,1,0,0,1,0|1,0,0]=3 124 B8R1.11 CCN1CCCC1=O HY-B1620B [0,1,0,0,1,0|1,0,0]=3 125 B8R1.11 CCN1CCCC1=O HY-B1620H [0,1,0,0,1,0|1,0,0]=3 126 B8R1.11 CCN1CCCC1=O HY-B1620I [0,1,0,0,1,0|1,0,0]=3 127 B8R1.11 CCN1CCCC1=O HY-B1620J [0,1,0,0,1,0|1,0,0]=3 128 B8R1.11 CCN1CCCC1=O HY-B1620L [0,1,0,0,1,0|1,0,0]=3 129 B8R1.11 CCN1CCCC1=O HY-B1620O [0,1,0,0,1,0|1,0,0]=3 130 B10R1.329 CC1(C)CC(=O)CC(=O)C1 HY-W015740 [0,2,0,0,0,0|1,0,1]=4 131 B10R1.329 CC1=CC(=O)CC(C)(C)C1 HY-Y0932 [0,2,0,0,0,0|0,0,0]=2 132 B8R1.7 O=C(O)[C@@H]1CCNC1 HY-60256 [0,0,1,1,0,0|2,0,0]=4 133 B8R1.22 O=C1CCCCCN1 HY-W010542 [0,0,1,1,0,0|1,0,1]=4 134 B8R1.22 O=C1CCCCCO1 HY-W015891 [0,0,1,1,0,0|1,0,1]=4 135 B8R1.22 O=C1CCCCCO1 HY-W392100B [0,0,1,1,0,0|1,0,1]=4 136 B8R1.22 O=C1CCCNCC1 HY-W001845 [0,0,1,1,0,0|1,0,1]=4 137 B6R0.3 C=C(C)C(=O)OC HY-W391506 [0,0,1,0,1,0|1,0,1]=4 138 B6R0.3 CC(=O)\C(C)=N\O HY-Y0413 [0,0,1,0,1,0|2,0,0]=4 139 B6R0.3 CCC(=O)C(=O)O HY-W007926 [0,0,1,0,1,0|2,0,0]=4 140 B6R0.3 CCC(=O)C(=O)O HY-W007926R [0,0,1,0,1,0|2,0,0]=4 141 B6R0.3 CCC(=O)C(C)=O HY-W012998 [0,0,1,0,1,0|1,0,0]=3 142 B6R0.3 CON(C)C(C)=O HY-W001095 [0,0,1,0,1,0|2,0,0]=4 143 B6R0.3 C\C=C(/C)C(=O)O HY-W012999 [0,0,1,0,1,0|1,0,1]=4 144 B6R1.2 CC1=CC=CS1 HY-W010615 [1,0,0,0,1,0|1,0,1]=4 145 B6R1.2 CC1=NNC=C1 HY-66054 [1,0,0,0,1,0|2,0,0]=4 146 B6R1.2 CN1CCCC1 HY-128383 [1,0,0,0,1,0|1,0,1]=4 147 B6R1.2 N=C1CCCS1 HY-W015798 [1,0,0,0,1,0|2,0,0]=4 148 B6R1.2 O=C1C=CCC1 HY-W010643 [1,0,0,0,1,0|0,0,0]=2 149 B6R1.2 O=C1C=CCO1 HY-W008270 [1,0,0,0,1,0|1,0,0]=3 150 B6R1.2 O=C1CCOC1 HY-33900 [1,0,0,0,1,0|1,0,1]=4 151 B6R1.2 O=C1CCSC1 HY-W010594 [1,0,0,0,1,0|1,0,1]=4 152 B6R1.2 O=C1NCCN1 HY-W031536 [1,0,0,0,1,0|2,0,0]=4