0 B6R0.2 CC(=O)\C=C(\C)[O-] HY-W020952 [0,0,0,0,0,0|2,1,0]=3 1 B6R0.2 CC(C)CC(N)=O HY-B1229 [0,0,0,0,0,0|2,1,1]=4 2 B6R0.2 CC(C)SC(=N)N HY-101304 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.2 CC(N)CC(=O)O HY-W008833 [0,0,0,0,0,0|3,0,1]=4 4 B6R0.2 C[C@H](N)CC(=O)O HY-W001210 [0,0,0,0,0,0|3,0,1]=4 5 B6R0.2 N=C(N)NC(=N)N HY-121006 [0,0,0,0,0,0|3,0,0]=3 6 B6R0.2 O=C(O)[Ca]C(=O)O HY-Y0262D [0,0,0,0,0,0|3,1,0]=4 7 B6R0.2 O=C(O)[SnH2]C(=O)O HY-W105856 [0,0,0,0,0,0|3,1,0]=4 8 B6R0.2 O=C([O-])CC(=O)[O-] HY-W283726 [0,0,0,0,0,0|3,1,0]=4 9 B5R0.1 C=CCC(=O)O HY-W068697 [1,0,0,0,0,0|3,0,0]=4 10 B5R0.1 CC(=O)CCO HY-W051287 [1,0,0,0,0,0|1,1,1]=4 11 B5R0.1 CC(=O)NCO HY-W024564 [1,0,0,0,0,0|0,1,1]=3 12 B5R0.1 CC(C)=CC=O HY-34409 [1,0,0,0,0,0|2,1,0]=4 13 B5R0.1 CCCC(N)=O HY-W088319 [1,0,0,0,0,0|1,1,1]=4 14 B5R0.1 CCOC(N)=O HY-B1207 [1,0,0,0,0,0|1,1,1]=4 15 B5R0.1 CCOC(N)=O HY-B1207R [1,0,0,0,0,0|1,1,1]=4 16 B5R0.1 CCSC(=N)N HY-101252 [1,0,0,0,0,0|2,0,1]=4 17 B5R0.1 C\C=C\C(=O)O HY-Y1644 [1,0,0,0,0,0|2,1,0]=4 18 B5R0.1 NCCC(=O)O HY-N0230 [1,0,0,0,0,0|2,0,1]=4 19 B5R0.1 NOCC(=O)O HY-107994 [1,0,0,0,0,0|3,0,0]=4 20 B7R0.2 CC(=O)CC(=O)O[Na] HY-112540B [0,1,0,0,0,0|2,1,0]=4 21 B7R0.2 CNC(=N)NC(=N)N HY-23875 [0,1,0,0,0,0|2,0,0]=3 22 B7R0.2 COC(=O)CC(C)=O HY-Y1298 [0,1,0,0,0,0|2,1,0]=4 23 B7R0.2 [Li]OC(=O)CC(C)=O HY-112540A [0,1,0,0,0,0|2,1,0]=4 24 B7R1.2 CC1=CC(=O)CC1 HY-W013014 [0,0,0,1,0,0|3,0,0]=4 25 B7R1.2 CC1=CC(N)=NN1 HY-75637 [0,0,0,1,0,0|3,0,0]=4 26 B7R1.2 CC1=CC(N)=NO1 HY-W041676 [0,0,0,1,0,0|2,0,1]=4 27 B7R1.2 CC1=CCC(=O)O1 HY-N0548 [0,0,0,1,0,0|3,0,0]=4 28 B7R1.2 CC1=CN=C(N)S1 HY-WAA0093 [0,0,0,1,0,0|3,0,0]=4 29 B7R1.2 NC1=NNC(=S)S1 HY-W012675 [0,0,0,1,0,0|3,0,0]=4 30 B7R1.2 O=C1C=CC(=O)N1 HY-W007324 [0,0,0,1,0,0|1,1,1]=4 31 B7R1.2 O=C1CCC(=O)C1 HY-75355 [0,0,0,1,0,0|2,1,0]=4 32 B7R1.2 O=C1CCC(=O)N1 HY-41877 [0,0,0,1,0,0|1,1,0]=3 33 B7R1.2 O=C1CCC(=O)O1 HY-79369 [0,0,0,1,0,0|2,1,0]=4 34 B7R1.2 O=C1CNC(=S)N1 HY-W012896 [0,0,0,1,0,0|0,0,0]=1 35 B7R1.2 O=C1CSC(=O)N1 HY-59272 [0,0,0,1,0,0|1,0,1]=3 36 B7R1.2 O=C1CSC(=S)N1 HY-W010365 [0,0,0,1,0,0|1,0,0]=2 37 B5R0.5 C=C(C)C(N)=O HY-W020027 [0,0,0,0,1,0|1,1,0]=3 38 B5R0.5 CC(=O)C(=O)O HY-Y0781 [0,0,0,0,1,0|1,1,0]=3 39 B5R0.5 CC(=O)C(=O)O HY-Y0781R [0,0,0,0,1,0|1,1,0]=3 40 B5R0.5 CC(=O)N(C)C HY-W042416 [0,0,0,0,1,0|3,0,0]=4 41 B5R0.5 CC(=O)[13C](=O)O HY-Y0781S1 [0,0,0,0,1,0|1,1,0]=3 42 B5R0.5 CC(N)C(=O)O HY-N2362 [0,0,0,0,1,0|2,0,1]=4 43 B5R0.5 C[C@H](N)C(=O)O HY-N0229 [0,0,0,0,1,0|2,0,1]=4 44 B5R0.5 C[C@H](N)C(=O)O HY-N0229R [0,0,0,0,1,0|2,0,1]=4 45 B5R0.5 N=C(N)S(=O)O HY-W015915 [0,0,0,0,1,0|3,0,0]=4 46 B5R0.5 NC(=O)C(=O)O HY-W013032 [0,0,0,0,1,0|1,1,0]=3 47 B5R0.5 NC(=S)C(N)=S HY-W010488 [0,0,0,0,1,0|1,1,0]=3 48 B5R0.5 O=C(O)C(=O)O HY-W041831 [0,0,0,0,1,0|2,1,0]=4 49 B5R0.5 O=C(O)C(=O)O HY-Y0262 [0,0,0,0,1,0|2,1,0]=4 50 B5R0.5 O=C(O)C(=O)O HY-Y0262A [0,0,0,0,1,0|2,1,0]=4 51 B5R0.5 O=C(O)C(=O)O HY-Y1297 [0,0,0,0,1,0|2,1,0]=4 52 B5R0.5 [2H]N(C)C(C)=O HY-W020018S1 [0,0,0,0,1,0|3,0,0]=4 53 B7R0.6 CC(=O)CCC(=O)O HY-Y0839 [0,0,0,0,0,1|2,1,0]=4 54 B7R0.6 CC(=O)NCC(=O)O HY-Y0069 [0,0,0,0,0,1|1,1,0]=3 55 B7R0.6 CC(=O)NNC(C)=O HY-I0777 [0,0,0,0,0,1|1,1,0]=3 56 B7R0.6 N=C(N)NCC(=O)O HY-W021448 [0,0,0,0,0,1|2,0,0]=3 57 B7R0.6 NC(=O)\C=C/C(=O)O HY-128750 [0,0,0,0,0,1|2,1,0]=4 58 B4R0.1 C=CC(=O)O HY-W243303A [2,0,0,0,0,0|2,0,0]=4 59 B4R0.1 C=CC(=O)O HY-W243303C [2,0,0,0,0,0|2,0,0]=4 60 B4R0.1 C=CC(=O)O HY-W243303D [2,0,0,0,0,0|2,0,0]=4 61 B4R0.1 C=CC(=O)O HY-W243303E [2,0,0,0,0,0|2,0,0]=4 62 B4R0.1 C=CC(=O)O HY-W243303O [2,0,0,0,0,0|2,0,0]=4 63 B4R0.1 C=CC(N)=O HY-W115727 [2,0,0,0,0,0|0,1,1]=4 64 B4R0.1 C=CC(N)=O HY-W115727A [2,0,0,0,0,0|0,1,1]=4 65 B4R0.1 C=CC(N)=O HY-W115727B [2,0,0,0,0,0|0,1,1]=4 66 B4R0.1 CC(=O)C=O HY-W020014 [2,0,0,0,0,0|0,1,0]=3 67 B4R0.1 CC(=O)CO HY-Y1366 [2,0,0,0,0,0|0,1,1]=4 68 B4R0.1 CC(=O)NBr HY-131899 [2,0,0,0,0,0|1,0,0]=3 69 B4R0.1 CC(=O)NO HY-B1235 [2,0,0,0,0,0|0,1,0]=3 70 B4R0.1 CC(=O)O[K] HY-Y0319B [2,0,0,0,0,0|2,0,0]=4 71 B4R0.1 CC(=O)O[K] HY-Y0319B1 [2,0,0,0,0,0|2,0,0]=4 72 B4R0.1 CNC(=N)N HY-W005028 [2,0,0,0,0,0|1,0,0]=3 73 B4R0.1 COC(N)=O HY-Y1401 [2,0,0,0,0,0|1,1,0]=4 74 B4R0.1 N=C(N)NN HY-B1041 [2,0,0,0,0,0|2,0,0]=4 75 B4R0.1 N=C(N)NN HY-W020772 [2,0,0,0,0,0|2,0,0]=4 76 B4R0.1 NC(=O)NO HY-B0313 [2,0,0,0,0,0|0,1,1]=4 77 B4R0.1 NC(=O)NO HY-B0313R [2,0,0,0,0,0|0,1,1]=4 78 B4R0.1 NCC(=O)O HY-Y0966 [2,0,0,0,0,0|1,0,1]=4 79 B4R0.1 NCC(=O)O HY-Y0966R [2,0,0,0,0,0|1,0,1]=4 80 B4R0.1 NCC(N)=O HY-Y1123 [2,0,0,0,0,0|1,0,1]=4 81 B4R0.1 NC[13C](=O)O HY-Y0966S4 [2,0,0,0,0,0|1,0,1]=4 82 B4R0.1 NNC(N)=O HY-Y0470 [2,0,0,0,0,0|1,0,0]=3 83 B4R0.1 NNC(N)=S HY-Y0032 [2,0,0,0,0,0|1,0,0]=3 84 B4R0.1 N[13CH2]C(=O)O HY-Y0966S2 [2,0,0,0,0,0|1,0,1]=4 85 B4R0.1 N[13CH2][13C](=O)O HY-Y0966S3 [2,0,0,0,0,0|1,0,1]=4 86 B4R0.1 O=CC(=O)O HY-79494 [2,0,0,0,0,0|1,1,0]=4 87 B4R0.1 [15NH2]CC(=O)O HY-Y0966S [2,0,0,0,0,0|1,0,1]=4 88 B6R0.1 C=CCC(=O)OC HY-W105369 [1,1,0,0,0,0|2,0,0]=4 89 B6R0.1 COC(=O)CCN HY-W007648 [1,1,0,0,0,0|1,0,1]=4 90 B6R0.3 CON(C)C(C)=O HY-W001095 [1,1,0,0,0,0|2,0,0]=4 91 B6R0.4 C=CCNC(N)=S HY-B0543 [1,1,0,0,0,0|0,0,1]=3 92 B6R0.4 NC\C=C\C(=O)O HY-100800 [1,1,0,0,0,0|2,0,0]=4 93 B6R0.4 O=CNCC(=O)O HY-128735 [1,1,0,0,0,0|1,1,0]=4 94 B8R0.9 CCC(=O)NCC(=O)O HY-W587803 [0,1,0,0,0,1|1,1,0]=4 95 B8R0.9 NCC(=O)NCC(=O)O HY-D0889R [0,1,0,0,0,1|1,1,0]=4 96 B8R0.23 CC(=O)N[C@@H](C)C(=O)O HY-W004066 [0,1,0,0,0,1|1,1,0]=4 97 B8R0.23 CC(=O)N[C@@H](C)C(=O)O HY-W004066R [0,1,0,0,0,1|1,1,0]=4 98 B8R0.23 CN(CC(=O)O)C(=N)N HY-W010388 [0,1,0,0,0,1|2,0,0]=4 99 B8R0.23 CN(CC(=O)O)C(=N)N HY-W010388R [0,1,0,0,0,1|2,0,0]=4 100 B8R0.23 CN(CC(=O)O)C(=N)N HY-W017462 [0,1,0,0,0,1|2,0,0]=4 101 B6R1.2 CC1=NNC=C1 HY-66054 [1,0,0,1,0,0|2,0,0]=4 102 B6R1.2 NC1=NC=CN1 HY-W062216 [1,0,0,1,0,0|1,0,1]=4 103 B6R1.2 O=C1C=CCC1 HY-W010643 [1,0,0,1,0,0|2,0,0]=4 104 B6R1.2 O=C1NCCN1 HY-W031536 [1,0,0,1,0,0|0,1,1]=4 105 B8R1.4 O=C1C=CNC(=O)N1 HY-I0960 [0,1,0,1,0,0|0,1,1]=4 106 B8R1.4 O=C1C=CNC(=O)N1 HY-I0960R [0,1,0,1,0,0|0,1,1]=4 107 B8R1.4 O=C1C=CNC(=S)N1 HY-B0503 [0,1,0,1,0,0|0,0,1]=3 108 B8R1.4 O=C1CCCC(=O)N1 HY-I0466 [0,1,0,1,0,0|1,1,0]=4 109 B8R1.4 O=C1CCNC(=O)N1 HY-W012926 [0,1,0,1,0,0|0,1,0]=3 110 B8R1.4 O=C1NC=CC(=S)N1 HY-W010417 [0,1,0,1,0,0|1,0,1]=4 111 B8R1.4 O=[13C]1[13CH]=[13CH][15NH][13C](=O)[15NH]1 HY-I0960S3 [0,1,0,1,0,0|0,1,1]=4 112 B8R1.18 CN1CC(=O)N=C1N HY-B0504 [0,1,0,1,0,0|1,0,1]=4 113 B8R1.18 CN1CC(=O)N=C1N HY-B0504R [0,1,0,1,0,0|1,0,1]=4 114 B8R1.18 CN1CC(=O)NC1=O HY-113382 [0,1,0,1,0,0|0,1,0]=3 115 B8R1.18 NN1CC(=O)NC1=O HY-23506 [0,1,0,1,0,0|0,1,0]=3 116 B8R1.18 NN1CC(=O)NC1=O HY-Y0469 [0,1,0,1,0,0|0,1,0]=3 117 B8R1.18 NN1CC(=O)NC1=O HY-Y0469R [0,1,0,1,0,0|0,1,0]=3 118 B8R1.50 O=C1CCC(=O)N1Br HY-Y0775 [0,1,0,1,0,0|1,1,0]=4 119 B8R1.50 O=C1CCC(=O)N1Cl HY-Y0532 [0,1,0,1,0,0|1,1,0]=4 120 B8R1.50 O=C1CCC(=O)N1I HY-ER017 [0,1,0,1,0,0|1,1,0]=4 121 B8R1.50 O=C1CCC(=O)N1O HY-Y0623 [0,1,0,1,0,0|1,1,0]=4 122 B8R0.28 CC(=O)NCCC(=O)O HY-66007 [0,0,0,0,0,2|1,1,0]=4 123 B8R0.28 N=C(N)NCCC(=O)O HY-W015828 [0,0,0,0,0,2|2,0,0]=4 124 B8R0.28 NC(=O)NCCC(=O)O HY-113285 [0,0,0,0,0,2|1,1,0]=4