0 B8R1.18 CC1=CC(=O)C(C)O1 HY-W010553 [0,0,0,0,0,0|0,0,0]=0 1 B8R1.18 CC1=CC(=O)OC1=O HY-78035 [0,0,0,0,0,0|3,0,1]=4 2 B8R1.18 CC1=CC(C)=NN1C HY-N7086 [0,0,0,0,0,0|3,0,0]=3 3 B8R1.18 CC1=NC(C)=C(C)S1 HY-W100945 [0,0,0,0,0,0|2,1,1]=4 4 B8R1.18 CC1CC(=O)OC1=O HY-Z0059 [0,0,0,0,0,0|3,0,0]=3 5 B8R1.18 CN1CC(=O)NC1=O HY-113382 [0,0,0,0,0,0|4,0,0]=4 6 B8R1.18 CN1SC(Cl)=CC1=O HY-W017982 [0,0,0,0,0,0|2,1,0]=3 7 B7R1.2 CC1=CC(=O)CC1 HY-W013014 [1,0,0,0,0,0|1,0,0]=2 8 B7R1.2 CC1=CC(N)=NN1 HY-75637 [1,0,0,0,0,0|3,0,0]=4 9 B7R1.2 CC1=CC(N)=NO1 HY-W041676 [1,0,0,0,0,0|2,0,0]=3 10 B7R1.2 CC1=CCC(=O)O1 HY-N0548 [1,0,0,0,0,0|2,0,0]=3 11 B7R1.2 CC1=NN(C)C=C1 HY-W002168 [1,0,0,0,0,0|2,0,0]=3 12 B7R1.2 CC1CCC(=O)O1 HY-W015938 [1,0,0,0,0,0|1,0,2]=4 13 B7R1.2 CN1C=CC(N)=N1 HY-76189 [1,0,0,0,0,0|3,0,0]=4 14 B7R1.2 O=C1CCC(=O)C1 HY-75355 [1,0,0,0,0,0|2,0,1]=4 15 B7R1.2 O=C1CCC(=O)N1 HY-41877 [1,0,0,0,0,0|3,0,0]=4 16 B7R1.2 O=C1CCC(=O)O1 HY-79369 [1,0,0,0,0,0|3,0,0]=4 17 B7R1.2 O=C1CNC(=S)N1 HY-W012896 [1,0,0,0,0,0|3,0,0]=4 18 B7R1.2 O=C1CSC(=O)N1 HY-59272 [1,0,0,0,0,0|2,1,0]=4 19 B7R1.2 O=C1CSC(=S)N1 HY-W010365 [1,0,0,0,0,0|2,1,0]=4 20 B7R1.4 CN1SC=CC1=O HY-W010243 [1,0,0,0,0,0|1,1,0]=3 21 B7R1.4 CN1SC=CC1=O HY-W010520 [1,0,0,0,0,0|1,1,0]=3 22 B9R1.37 CC1=C(O)C(=O)C(C)O1 HY-N7093 [0,1,0,0,0,0|0,0,0]=1 23 B9R1.38 CC1(C)OC(=O)NC1=O HY-B1348 [0,1,0,0,0,0|2,0,0]=3 24 B7R0.2 CCC(C)OC(C)=O HY-158759 [0,0,1,0,0,0|2,0,1]=4 25 B7R0.2 COC(=O)CC(C)=O HY-Y1298 [0,0,1,0,0,0|1,0,2]=4 26 B7R0.2 [C@@H](C)(O)CC(=O)OC HY-W012885 [0,0,1,0,0,0|1,0,2]=4 27 B7R0.2 [C@H](C)(O)CC(=O)OC HY-W010507 [0,0,1,0,0,0|1,0,2]=4 28 B7R0.5 C=CCC(C)C(=O)O HY-W012922 [0,0,1,0,0,0|2,0,1]=4 29 B7R0.5 CCCC(C)C(=O)O HY-W010516 [0,0,1,0,0,0|2,0,1]=4 30 B7R0.5 CCOC(=O)[C@@H](C)N HY-W017350 [0,0,1,0,0,0|2,0,1]=4 31 B7R0.5 CCOC(=O)[C@H](C)N HY-I0517 [0,0,1,0,0,0|2,0,1]=4 32 B9R1.34 CC1=CC(=O)C=C(C)O1 HY-W010469 [0,0,0,0,0,1|0,0,1]=2 33 B9R1.34 CC1=CC(=O)NC(=O)N1 HY-Y1125 [0,0,0,0,0,1|2,0,1]=4 34 B9R1.34 CC1=CC(=O)NC(=S)N1 HY-B0513 [0,0,0,0,0,1|2,0,1]=4 35 B9R1.69 CC1=CC(Br)=CNC1=O HY-75423 [0,0,0,0,0,1|2,0,1]=4 36 B9R1.69 CC1=CN=C(C)C(C)=N1 HY-W010476 [0,0,0,0,0,1|2,0,1]=4 37 B9R1.69 CC1CN(C)CCC1=O HY-76718 [0,0,0,0,0,1|2,0,1]=4 38 B9R1.69 CC1CNC(=O)NC1=O HY-N6787 [0,0,0,0,0,1|3,0,0]=4 39 B9R1.69 C[C@@H]1NC(=O)CNC1=O HY-75564 [0,0,0,0,0,1|2,0,1]=4 40 B6R0.2 CC(=O)\C=C(\C)[O-] HY-W020952 [1,0,1,0,0,0|0,0,1]=3 41 B6R0.4 CCOCC(=O)O HY-W027555 [1,0,1,0,0,0|1,0,1]=4 42 B6R0.4 CC\C=C\C(=O)O HY-W061674 [1,0,1,0,0,0|1,0,0]=3 43 B6R0.4 C\C=C\CC(=O)O HY-W088501 [1,0,1,0,0,0|2,0,0]=4 44 B6R0.4 NC\C=C\C(=O)O HY-100800 [1,0,1,0,0,0|2,0,0]=4 45 B6R0.3 CC(O)C(=O)O[Na] HY-B2227B [1,0,1,0,0,0|2,0,0]=4 46 B6R0.3 COC(=O)C(C)N HY-W010324 [1,0,1,0,0,0|2,0,0]=4 47 B6R0.3 COC(=O)[C@H](C)N HY-I0519 [1,0,1,0,0,0|2,0,0]=4 48 B6R0.3 CON(C)C(C)=O HY-W001095 [1,0,1,0,0,0|1,0,1]=4 49 B6R0.3 C[C@@H](O)C(=O)O[Na] HY-111095B [1,0,1,0,0,0|2,0,0]=4 50 B6R0.3 C[C@H](O)C(=O)O[Na] HY-W040233 [1,0,1,0,0,0|2,0,0]=4 51 B6R0.3 C[C@H](O)C(=O)O[Na] HY-W040233B [1,0,1,0,0,0|2,0,0]=4 52 B6R0.3 C[C@H](O)C(=O)O[Na] HY-W040233R [1,0,1,0,0,0|2,0,0]=4 53 B6R0.3 C\C=C(/C)C(=O)O HY-W012999 [1,0,1,0,0,0|1,0,1]=4 54 B6R0.3 [13CH3][C@H](O)C(=O)O[Na] HY-B2227BS3 [1,0,1,0,0,0|2,0,0]=4 55 B6R0.3 [C@@H](C)(NC)C(=O)O HY-W015926 [1,0,1,0,0,0|2,0,0]=4 56 B6R0.3 [C@H](C)(N)C(=O)OC HY-W007986 [1,0,1,0,0,0|2,0,0]=4 57 B6R0.3 [Li]OC(=O)C(C)O HY-W010625 [1,0,1,0,0,0|2,0,0]=4 58 B6R0.3 [Li]OC(=O)[C@H](C)O HY-D0884 [1,0,1,0,0,0|2,0,0]=4 59 B6R0.6 CCC\C=C\C=O HY-128429 [1,0,1,0,0,0|1,0,0]=3 60 B6R1.2 CC1=CC=CS1 HY-W010615 [2,0,0,0,0,0|0,1,1]=4 61 B6R1.2 CC1=NNC=C1 HY-66054 [2,0,0,0,0,0|2,0,0]=4 62 B6R1.2 NC1=NOC=C1 HY-W007329 [2,0,0,0,0,0|2,0,0]=4 63 B6R1.2 O=C1C=CCC1 HY-W010643 [2,0,0,0,0,0|1,0,0]=3 64 B6R1.2 O=C1C=CCO1 HY-W008270 [2,0,0,0,0,0|1,0,0]=3 65 B6R1.2 O=C1CCOC1 HY-33900 [2,0,0,0,0,0|0,0,2]=4 66 B8R0.5 CCOC(=O)C=C(C)C HY-41314 [0,1,1,0,0,0|1,0,0]=3 67 B8R0.5 CCOC(=O)CC(=O)O HY-Y1031 [0,1,1,0,0,0|1,0,1]=4 68 B8R0.5 CCOC(=O)CC(C)=O HY-Y1093 [0,1,1,0,0,0|0,0,2]=4 69 B8R0.5 CCOC(=O)CC(C)O HY-W012701 [0,1,1,0,0,0|0,0,2]=4 70 B8R0.5 CCOC(=O)C[C@H](C)O HY-W076441 [0,1,1,0,0,0|0,0,2]=4 71 B8R0.19 CCC(=O)CC(=O)OC HY-W010394 [0,1,1,0,0,0|0,0,2]=4 72 B8R0.23 CC(=O)N[C@@H](C)C(=O)O HY-W004066 [0,1,1,0,0,0|2,0,0]=4 73 B8R0.23 CC(=O)N[C@@H](C)C(=O)O HY-W004066R [0,1,1,0,0,0|2,0,0]=4 74 B8R0.3 CCOC(=O)C(O)CC HY-W127500 [0,1,1,0,0,0|1,0,1]=4 75 B8R0.1 CCOC(=O)CNC=O HY-W141893 [0,1,1,0,0,0|1,0,1]=4 76 B8R1.1 CC1=CC(CO)=NO1 HY-W012937 [1,1,0,0,0,0|1,0,1]=4 77 B8R1.1 CC1=CC=C(C=O)O1 HY-Y0543 [1,1,0,0,0,0|0,0,2]=4 78 B8R1.1 CC1=CC=C(CO)O1 HY-W087919 [1,1,0,0,0,0|0,0,1]=3 79 B8R1.50 CC1=C(O)C(=O)CO1 HY-W012927 [1,1,0,0,0,0|0,0,0]=2 80 B8R1.51 CC1(C)C=CC(=O)C1 HY-W024604 [1,1,0,0,0,0|2,0,0]=4 81 B10R1.8 CC1=CC(C)=CC(C=O)=C1 HY-W002343 [0,1,0,0,0,1|1,0,1]=4 82 B10R1.22 CC1=CC(=O)C=C(C)C1=O HY-W015816 [0,1,0,0,0,1|1,0,1]=4 83 B10R1.329 CC1(C)OC(=O)CC(=O)O1 HY-Y0232 [0,1,0,0,0,1|1,0,1]=4 84 B10R1.329 CC1=CC(=O)CC(C)(C)C1 HY-Y0932 [0,1,0,0,0,1|1,0,0]=3 85 B10R1.329 CC1=CC(=O)[N-]S(=O)(=O)O1 HY-D0195 [0,1,0,0,0,1|2,0,0]=4 86 B10R1.329 CC1=CC(=O)[N-]S(=O)(=O)O1 HY-D0195R [0,1,0,0,0,1|2,0,0]=4 87 B10R1.118 CC1=CC(=O)C(C)=CC1=O HY-W090317 [0,1,0,0,0,1|1,0,1]=4 88 B10R1.176 O=C1C=C(CO)OC=C1O HY-W050154 [0,1,0,0,0,1|1,0,1]=4 89 B10R1.59 CC(=O)C1=C(C)OC(C)=C1 HY-114517 [0,2,0,0,0,0|0,0,1]=3 90 B10R1.271 CN1C(=O)OC(C)(C)C1=O HY-A0092 [0,2,0,0,0,0|2,0,0]=4 91 B8R1.4 O=C1CCCC(=O)C1 HY-W007466 [0,0,1,1,0,0|0,0,2]=4 92 B8R1.4 O=C1CCCC(=O)N1 HY-I0466 [0,0,1,1,0,0|1,0,1]=4 93 B8R1.7 O=C(O)[C@H]1CCCO1 HY-W005223 [0,0,1,1,0,0|1,0,1]=4 94 B8R0.9 CCC(=O)NCC(=O)O HY-W587803 [0,0,1,0,0,1|1,0,1]=4 95 B8R0.9 COC(=O)\C=C\C(=O)O HY-103252 [0,0,1,0,0,1|2,0,0]=4 96 B8R1.3 CC1=CNC(=O)C=C1 HY-W010566 [1,0,0,0,0,1|1,0,1]=4