0 B6R0.4 CC(C)CCCO HY-W007511 [0,0,0,0,0,0|0,0,4]=4 1 B5R0.1 CC(C)=CC=O HY-34409 [1,0,0,0,0,0|0,0,1]=2 2 B5R0.1 CC(C)=CCO HY-W013035 [1,0,0,0,0,0|0,0,3]=4 3 B5R0.1 CN(C)CC=O HY-100061A [1,0,0,0,0,0|1,0,1]=3 4 B5R0.2 CC\C=C/CO HY-W030347 [1,0,0,0,0,0|0,0,2]=3 5 B5R0.2 CC\C=C\C=O HY-W111375 [1,0,0,0,0,0|0,0,0]=1 6 B5R0.2 OC\C=C/CO HY-W027631 [1,0,0,0,0,0|1,0,2]=4 7 B7R0.6 C(C(=O)O)=CC(=O)O HY-W015883 [0,1,0,0,0,0|2,0,1]=4 8 B7R0.6 CC(C)CCC(=O)O HY-W015882 [0,1,0,0,0,0|0,0,2]=3 9 B7R0.6 CC(C)CCC(=O)O HY-W015882R [0,1,0,0,0,0|0,0,2]=3 10 B7R0.6 NC(=O)\C=C/C(=O)O HY-128750 [0,1,0,0,0,0|2,0,1]=4 11 B7R0.6 O=C(O)\C=C/C(=O)O HY-Y0367 [0,1,0,0,0,0|2,0,1]=4 12 B7R0.6 O=C(O)\C=C\C(=O)O HY-107829 [0,1,0,0,0,0|2,0,1]=4 13 B7R0.6 O=C(O)\C=C\C(=O)O HY-W015883R [0,1,0,0,0,0|2,0,1]=4 14 B7R0.6 O=C([O-])\C=C\C(=O)[O-] HY-B1651 [0,1,0,0,0,0|2,0,1]=4 15 B7R1.2 CC1=CCC(=O)O1 HY-N0548 [0,0,0,1,0,0|1,0,2]=4 16 B7R1.2 CC1=NN(C)C=C1 HY-W002168 [0,0,0,1,0,0|3,0,0]=4 17 B7R1.2 CC1CCC(=O)O1 HY-W015938 [0,0,0,1,0,0|1,0,2]=4 18 B7R1.2 CN1C=CC(N)=N1 HY-76189 [0,0,0,1,0,0|3,0,0]=4 19 B7R1.2 O=C1C=CC(=O)N1 HY-W007324 [0,0,0,1,0,0|2,0,1]=4 20 B7R1.2 O=C1C[C@H](O)CN1 HY-W002597 [0,0,0,1,0,0|2,0,1]=4 21 B4R0.1 CC(=O)C=O HY-W020014 [2,0,0,0,0,0|1,0,1]=4 22 B4R0.2 C=CCCN HY-W019321 [2,0,0,0,0,0|1,0,1]=4 23 B4R0.2 C=CCSC HY-128447 [2,0,0,0,0,0|1,0,1]=4 24 B4R0.2 O=CCCO HY-N8461 [2,0,0,0,0,0|1,0,1]=4 25 B6R0.2 CC(=O)\C=C(\C)[O-] HY-W020952 [1,1,0,0,0,0|1,0,1]=4 26 B6R0.2 CC(C)CC(=O)O HY-W012980 [1,1,0,0,0,0|0,0,1]=3 27 B6R0.2 CC(C)CC(N)=O HY-B1229 [1,1,0,0,0,0|0,0,1]=3 28 B6R0.2 CC(C)C[13C](=O)O HY-W012980S1 [1,1,0,0,0,0|0,0,1]=3 29 B6R0.2 CC(C)SC(=N)N HY-101304 [1,1,0,0,0,0|2,0,0]=4 30 B6R0.2 CC(N)CC(=O)O HY-W008833 [1,1,0,0,0,0|1,0,1]=4 31 B6R0.2 CC(O)CC(=O)O HY-113378 [1,1,0,0,0,0|1,0,1]=4 32 B6R0.2 CN(C)CC(=O)O HY-W001158 [1,1,0,0,0,0|1,0,1]=4 33 B6R0.2 CN(C)CC(=O)O HY-Y0511 [1,1,0,0,0,0|1,0,1]=4 34 B6R0.2 CN(C)CC(=O)O HY-Y0511R [1,1,0,0,0,0|1,0,1]=4 35 B6R0.2 C[C@@H](O)CC(=O)O HY-W051723 [1,1,0,0,0,0|1,0,1]=4 36 B6R0.2 C[C@H](N)CC(=O)O HY-W001210 [1,1,0,0,0,0|1,0,1]=4 37 B6R0.2 C[C@H](O)CC(=O)O HY-W050031 [1,1,0,0,0,0|1,0,1]=4 38 B6R0.3 CC(C)[13C](=O)O[Na] HY-W021400S [1,1,0,0,0,0|2,0,0]=4 39 B6R0.5 C=CC[Si](C)(C)C HY-W019828 [1,1,0,0,0,0|0,1,1]=4 40 B6R0.6 C(CO)=CCCC HY-W015936 [1,1,0,0,0,0|0,0,2]=4 41 B6R0.6 CCC\C=C\C=O HY-128429 [1,1,0,0,0,0|0,0,0]=2 42 B6R0.6 CC\C=C/CCO HY-W010607 [1,1,0,0,0,0|0,0,2]=4 43 B6R0.6 C\C=C\C=C\CO HY-W017690 [1,1,0,0,0,0|0,0,2]=4 44 B8R0.2 CC(C)C(=O)C(=O)O[Na] HY-W006057A [0,2,0,0,0,0|2,0,0]=4 45 B8R0.2 [13CH3]C([13CH3])C(=O)C(=O)O[Na] HY-W006057AS17 [0,2,0,0,0,0|2,0,0]=4 46 B8R0.23 CC(C)CC(=O)C(=O)O HY-W012722 [0,2,0,0,0,0|0,0,1]=3 47 B8R0.23 CC(C)CC(=O)C(=O)O HY-W012722R [0,2,0,0,0,0|0,0,1]=3 48 B8R0.23 CC(C)CC(N)C(=O)O HY-B1674 [0,2,0,0,0,0|0,0,2]=4 49 B8R0.23 CC(C)CC(O)C(=O)O HY-30216A [0,2,0,0,0,0|0,0,2]=4 50 B8R0.23 CC(C)CC(O)C(=O)O HY-30216AR [0,2,0,0,0,0|0,0,2]=4 51 B8R0.23 CC(C)C[C@@H](N)C(=O)O HY-Y0378 [0,2,0,0,0,0|0,0,2]=4 52 B8R0.23 CC(C)C[C@H](N)C(=O)O HY-N0486 [0,2,0,0,0,0|0,0,2]=4 53 B8R0.23 CC(C)C[C@H](N)C(=O)O HY-N0486R [0,2,0,0,0,0|0,0,2]=4 54 B8R0.23 CC(C)C[C@H](N)C(N)=O HY-W088014 [0,2,0,0,0,0|0,0,2]=4 55 B8R0.23 CC(C)C[C@H](N)[13C](=O)O HY-N0486S1 [0,2,0,0,0,0|0,0,2]=4 56 B8R0.23 CC(C)C[C@H](O)C(=O)O HY-30215 [0,2,0,0,0,0|0,0,2]=4 57 B8R0.23 CC(C)C[C@H](O)C(=O)O HY-30215R [0,2,0,0,0,0|0,0,2]=4 58 B8R0.23 CC(C)C[C@H]([15NH2])[13C](=O)O HY-N0486S7 [0,2,0,0,0,0|0,0,2]=4 59 B8R0.9 COC(=O)\C=C\C(=O)O HY-103252 [0,2,0,0,0,0|1,0,1]=4 60 B8R0.28 CC(=O)CCC=C(C)C HY-W010435 [0,2,0,0,0,0|0,0,2]=4 61 B8R0.29 CC(C)(C)NCC(=O)O HY-W040723 [0,2,0,0,0,0|1,0,1]=4 62 B6R1.2 CC1=CC=CS1 HY-W010615 [1,0,0,1,0,0|1,0,1]=4 63 B8R1.1 CC1=CC=C(C=O)O1 HY-Y0543 [0,1,0,1,0,0|1,0,1]=4 64 B8R1.1 CC1=CC=C(C=O)S1 HY-34465 [0,1,0,1,0,0|1,0,1]=4 65 B8R1.1 CN1C=C(C=O)C=N1 HY-69052 [0,1,0,1,0,0|1,0,1]=4 66 B8R1.18 CC1=CC(=O)C(C)O1 HY-W010553 [0,1,0,1,0,0|2,0,0]=4 67 B8R1.18 CC1CC(=O)OC1=O HY-Z0059 [0,1,0,1,0,0|1,0,0]=3 68 B8R1.18 CN1CC(=O)N=C1N HY-B0504 [0,1,0,1,0,0|2,0,0]=4 69 B8R1.18 CN1CC(=O)N=C1N HY-B0504R [0,1,0,1,0,0|2,0,0]=4 70 B8R1.18 CN1CC(=O)NC1=O HY-113382 [0,1,0,1,0,0|2,0,0]=4 71 B8R1.51 CC1(C)C=CC(=O)C1 HY-W024604 [0,1,0,1,0,0|0,0,0]=2 72 B8R1.2 OCC1CCC=CO1 HY-34692 [0,1,0,1,0,0|2,0,0]=4 73 B8R1.3 CC1=CNC(=O)C=C1 HY-W010566 [0,1,0,1,0,0|0,0,2]=4 74 B8R1.7 CC(C)C1=NC=CN1 HY-W001201 [0,1,0,1,0,0|1,0,0]=3