0 B8R0.23 C=C(NC(C)=O)C(O)=O M10074141P [0,0,0,0,0,0|2,0,2]=4 1 B8R0.23 NC(CC([O-])=O)C([O-])=O M10131058P [0,0,0,0,0,0|4,0,0]=4 2 B8R0.23 N[C@@H](CC(O)=O)C([O-])=O M12276677P [0,0,0,0,0,0|4,0,0]=4 3 B8R0.23 O=C(O)C(S)CC(O)=O M10000758P [0,0,0,0,0,0|4,0,0]=4 4 B8R0.23 O=C(O)[C@@H](N)CS(C)=O M10096739P [0,0,0,0,0,0|4,0,0]=4 5 B8R0.23 O=C([O-])CC(N)C(O)=O M10023113P [0,0,0,0,0,0|4,0,0]=4 6 B8R0.23 O=C([O-])[C@@H](N)CC(O)=O M10238865P [0,0,0,0,0,0|4,0,0]=4 7 B8R0.23 O=C([O-])[C@@H](N)CC([O-])=O M10026968P [0,0,0,0,0,0|4,0,0]=4 8 B8R0.23 O=C([O-])[C@@H](N)CC([O-])=O M10057709P [0,0,0,0,0,0|4,0,0]=4 9 B7R0.2 O=C(Cl)OC(C)CC M10149751P [1,0,0,0,0,0|1,0,1]=3 10 B7R0.5 CCCC(C)C(O)=O M10209692P [1,0,0,0,0,0|2,0,1]=4 11 B7R0.6 CC(CCC([O-])=O)=O M10183682P [1,0,0,0,0,0|2,0,0]=3 12 B7R0.6 O=C(C)CCC([O-])=O M10015062P [1,0,0,0,0,0|2,0,0]=3 13 B7R0.6 O=C(Cl)OCC(C)C M10013714P [1,0,0,0,0,0|2,0,1]=4 14 B7R0.6 O=C([O-])CCC([O-])=O M10041518P [1,0,0,0,0,0|3,0,0]=4 15 B7R0.6 O=C([O-])CCC([O-])=O M10384426P [1,0,0,0,0,0|3,0,0]=4 16 B9R0.11 CC(C)(OC(C)=O)C(Br)=O M10243419P [0,1,0,0,0,0|1,0,0]=2 17 B9R0.39 O=C(O)[C@@H](NC(C)=O)CS M10016257P [0,1,0,0,0,0|2,0,0]=3 18 B9R1.35 O=C(C1CC(CC1)=O)O M10002671P [0,0,0,1,0,0|2,0,0]=3 19 B9R1.35 O=C([C@@H]1CCC(O1)=O)O M10170449P [0,0,0,1,0,0|1,0,0]=2 20 B9R1.35 O=C([C@H]1CCC(O1)=O)O M10271394P [0,0,0,1,0,0|1,0,0]=2 21 B7R0.16 CC(C(N)C(O)=O)=O M10092972P [0,0,0,0,1,0|2,0,0]=3 22 B7R0.16 CC(C)[C@H](C)C(O)=O M10134757P [0,0,0,0,1,0|2,0,1]=4 23 B7R0.16 O=C(O)C(C)C(O)=O M10012870P [0,0,0,0,1,0|2,0,0]=3 24 B7R0.16 O=C(O)C(O)C(O)=O M10001299P [0,0,0,0,1,0|3,0,0]=4 25 B6R0.1 CCCC(C)C=O M10004549P [2,0,0,0,0,0|1,0,1]=4 26 B6R0.2 CC(CC(C)=O)=O M10123299P [2,0,0,0,0,0|1,0,1]=4 27 B6R0.2 CC(OC(Br)C)=O M10242154P [2,0,0,0,0,0|1,0,0]=3 28 B6R0.4 CC(CCC=C)=O M10003621P [2,0,0,0,0,0|1,0,1]=4 29 B6R0.4 CC(OCCO)=O M10013697P [2,0,0,0,0,0|0,0,2]=4 30 B6R0.4 O=C(O)COCC M10016894P [2,0,0,0,0,0|1,0,1]=4 31 B6R0.3 CC(C(S)CC)=O M10426560P [2,0,0,0,0,0|1,0,1]=4 32 B6R0.3 CC(N(C)C=C)=O M10052111P [2,0,0,0,0,0|1,0,1]=4 33 B6R0.3 CC(NC)C(O)=O M10015418P [2,0,0,0,0,0|2,0,0]=4 34 B6R0.3 CC(OC)C(O)=O M10062023P [2,0,0,0,0,0|1,0,0]=3 35 B6R0.3 C[C@@H](NC)C(O)=O M10206333P [2,0,0,0,0,0|2,0,0]=4 36 B6R0.3 C\C(C(O)=O)=C\C M10014266P [2,0,0,0,0,0|1,0,1]=4 37 B8R0.5 CC(OC(C)=O)COC M10497504P [1,1,0,0,0,0|0,0,1]=3 38 B8R0.34 CC(CC(SC)(C)C)=O M10180522P [1,1,0,0,0,0|2,0,0]=4 39 B8R0.9 CC(CCC(OC)=O)=O M10016714P [1,1,0,0,0,0|1,0,0]=3 40 B8R0.9 O=C(O)CCC(CN)=O M10003359P [1,1,0,0,0,0|2,0,0]=4 41 B8R0.9 O=C(OC)CCC(Cl)=O M10031630P [1,1,0,0,0,0|2,0,0]=4 42 B8R0.18 O=C(C)C(CC)C([O-])=O M10207310P [0,1,0,0,1,0|1,0,0]=3 43 B10R0.44 O=C(O)CC(C)CC(OC)=O M10196883P [0,1,0,0,0,1|2,0,0]=4 44 B10R0.141 O=C(O)CC(C)(C)C(OC)=O M10218825P [0,2,0,0,0,0|2,0,0]=4 45 B10R0.46 O=C(OC)[C@H](O)CC(OC)=O M10439509P [0,2,0,0,0,0|2,0,0]=4 46 B10R0.54 O=C(OC)C(NC(C)=O)CCl M10156473P [0,2,0,0,0,0|1,0,0]=3 47 B8R1.1 O=C1O[C@H](CO)CC1 M10218224P [1,0,0,1,0,0|0,0,2]=4 48 B8R1.18 O=C1CC(C)C(C)C1 M10207594P [1,0,0,1,0,0|1,0,1]=4 49 B8R1.18 O=C1OC(O)C(C)=C1 M10244090P [1,0,0,1,0,0|1,0,1]=4 50 B8R1.5 O=C1C(C)CCCC1 M10014758P [1,0,0,1,0,0|1,0,1]=4 51 B8R1.7 CC([C@@H]1OCCC1)=O M10934991P [1,0,0,1,0,0|0,0,1]=3 52 B8R1.7 CC([C@H]1OCCC1)=O M10733047P [1,0,0,1,0,0|0,0,1]=3 53 B8R1.23 O=C(C1CC(N1)=O)O M10633721P [1,0,0,1,0,0|2,0,0]=4 54 B8R1.78 CC(C1(C)COC1)=O M11140046P [1,0,0,1,0,0|2,0,0]=4 55 B8R1.3 O=C1CNC(CN1)=O M10003356P [1,0,0,1,0,0|2,0,0]=4 56 B8R1.50 O=C1CCC(N1Br)=O M10004790P [0,0,0,1,1,0|2,0,0]=4 57 B10R1.560 O=C1C(C)(C)OC(C)(C)C1 M10075846P [0,1,0,1,0,0|1,0,1]=4 58 B10R1.14 O=C(C1CC(CC1)=O)OC M10218340P [0,1,0,1,0,0|1,0,0]=3 59 B10R1.113 O=C(C1CC(NCC1)=O)O M10185359P [0,1,0,1,0,0|2,0,0]=4 60 B10R1.118 O=C1[C@@H](C)OC([C@H](O1)C)=O M10120431P [0,1,0,1,0,0|1,0,0]=3 61 B10R1.118 O=C1[C@H](C)OC([C@@H](O1)C)=O M10064025P [0,1,0,1,0,0|1,0,0]=3 62 B8R0.28 CC(CCC=C(C)C)=O M10003758P [1,0,0,0,0,1|2,0,0]=4 63 B8R0.28 CC(OCC=C(C)C)=O M10028659P [1,0,0,0,0,1|1,0,0]=3 64 B8R0.28 O=C(O)COCC(O)=O M10003764P [1,0,0,0,0,1|2,0,0]=4 65 B10R0.98 CC(OCCC(Cl)C(C)=O)=O M10120172P [0,0,0,0,0,2|1,0,0]=3