0 B7R0.6 CC(=O)CCC(C)=O 2118-1-25 [0,0,0,0,0,0|2,0,1]=3 1 B7R0.6 CC(=O)OCC(=O)Cl 2129-5-X0 [0,0,0,0,0,0|3,0,0]=3 2 B7R0.6 CC(=O)\C=C\C(C)C 2317-1-04 [0,0,0,0,0,0|1,0,2]=3 3 B7R0.6 CC(C)=NNC(N)=O 4153-1-0A [0,0,0,0,0,0|3,0,0]=3 4 B7R0.6 CC(C)CCC(=O)Cl 2116-5-0A [0,0,0,0,0,0|1,0,2]=3 5 B7R0.6 CC(C)COC(=O)Cl 2123-5-1N [0,0,0,0,0,0|2,0,2]=4 6 B7R0.6 CC(C)OCC(=O)O 2121-1-43 [0,0,0,0,0,0|1,0,1]=2 7 B7R0.6 CC(C)\C=C\C(=O)O 2321-1-13 [0,0,0,0,0,0|0,0,2]=2 8 B7R0.6 CN(C)CCC(=O)O 4158-5-13 [0,0,0,0,0,0|1,0,1]=2 9 B7R0.6 N=C(N)NCC(=O)O 4156-1-60 [0,0,0,0,0,0|3,0,0]=3 10 B7R0.6 O=C(O)\C=C/C(=O)O 2321-1-07 [0,0,0,0,0,0|2,0,1]=3 11 B7R0.6 O=C([O-])C#CC(=O)O 2522-1-19 [0,0,0,0,0,0|2,0,2]=4 12 B6R0.4 C#CCCC(=O)O 2521-1-02 [1,0,0,0,0,0|0,0,3]=4 13 B6R0.4 C=CCCC(=O)Cl 2316-5-06 [1,0,0,0,0,0|1,0,2]=4 14 B6R0.4 C=CCOC(C)=O 2324-1-08 [1,0,0,0,0,0|3,0,0]=4 15 B6R0.4 CC(C)OCCO 2107-1-0H [1,0,0,0,0,0|1,0,2]=4 16 B6R0.4 CCC#CC(=O)O 2521-1-12 [1,0,0,0,0,0|0,0,3]=4 17 B6R0.4 CCCCC(=O)O 2121-1-0C [1,0,0,0,0,0|0,0,2]=3 18 B6R0.4 CCOCC(=O)Cl 2116-5-0F [1,0,0,0,0,0|2,0,1]=4 19 B6R0.4 CN(C)CCCO 4156-1-40 [1,0,0,0,0,0|1,0,2]=4 20 B6R0.4 CNCCC(N)=O 4148-1-30 [1,0,0,0,0,0|2,0,1]=4 21 B6R0.4 NCCCC(=O)O 4157-1-X2 [1,0,0,0,0,0|1,0,2]=4 22 B8R0.9 COC(=O)\C=C\C(C)C 2323-1-X3 [0,1,0,0,0,0|0,0,2]=3 23 B8R0.9 NCC(=O)CCC(=O)O 4157-5-07 [0,1,0,0,0,0|1,0,1]=3 24 B8R0.9 NCC(=O)NCC(=O)O 4157-1-X3 [0,1,0,0,0,0|2,0,0]=3 25 B8R0.23 CC(=O)N[C@@H](C)C(=O)O 4158-1-S9 [0,1,0,0,0,0|2,0,0]=3 26 B8R0.23 CC(=O)N[C@H](C)C(=O)O 4158-1-59 [0,1,0,0,0,0|2,0,0]=3 27 B8R0.23 CC(=O)O[C@@H](C)C(=O)Cl 2123-5-S0 [0,1,0,0,0,0|3,0,0]=4 28 B8R0.23 CC(C)C[C@H](O)C(=O)O 2129-1-SB [0,1,0,0,0,0|0,0,2]=3 29 B8R0.23 O=C(O)C[C@@H](O)C(=O)O 2129-1-49 [0,1,0,0,0,0|2,0,1]=4 30 B8R0.29 CC(C)(C)OCC(=O)O 2121-1-X5 [0,1,0,0,0,0|1,0,1]=3 31 B8R1.3 CC1=CC=C(O)C=C1 2701-1-14 [0,0,0,1,0,0|1,0,2]=4 32 B8R1.3 CC1=CN=C(O)N=C1 4H01-1-CK [0,0,0,1,0,0|2,0,1]=4 33 B8R1.3 CC1=NNC(=O)C=C1 4H01-1-0P [0,0,0,1,0,0|2,0,1]=4 34 B8R1.3 CC1=NNC(=O)C=C1 4H17-1-87 [0,0,0,1,0,0|2,0,1]=4 35 B8R1.3 CC1=NNC(=O)CC1 4H56-1-XC [0,0,0,1,0,0|2,0,1]=4 36 B8R1.3 CN1CCC(=O)CC1 4H56-1-7L [0,0,0,1,0,0|2,0,1]=4 37 B8R1.3 O=C1CNC(=O)CN1 4H48-1-Q2 [0,0,0,1,0,0|3,0,0]=4 38 B8R1.3 O=C1COC(=O)CO1 2H08-1-X0 [0,0,0,1,0,0|2,0,0]=3 39 B8R1.23 C=C1CC(C(=O)O)C1 2321-1-X3 [0,0,0,1,0,0|0,0,2]=3 40 B8R1.23 CN1CC(C(=O)O)C1 4H58-1-60 [0,0,0,1,0,0|1,0,1]=3 41 B8R1.23 O=C(O)[C@H]1C[C@@H](O)C1 2229-1-Z2 [0,0,0,1,0,0|1,0,2]=4 42 B8R1.23 O=C1CC(C(=O)O)C1 P911-A-73 [0,0,0,1,0,0|1,0,1]=3 43 B8R1.51 O=S1(=O)CC=C(Cl)C1 6H63-5-02 [0,0,0,1,0,0|2,0,1]=4 44 B8R1.77 [C@H]1(C(N)=O)CC1(C)C 4248-1-S1 [0,0,0,1,0,0|1,0,2]=4 45 B6R0.2 CC(=O)CC(C)=O 2118-1-01 [0,0,0,0,1,0|2,0,0]=3 46 B6R0.2 CC(=O)CC(C)C 2118-1-02 [0,0,0,0,1,0|1,0,1]=3 47 B6R0.2 CC(=O)\C=C(\C)N 4356-1-06 [0,0,0,0,1,0|2,0,0]=3 48 B6R0.2 CC(=O)\C=C(\C)[O-] 9128-1-X0 [0,0,0,0,1,0|2,0,0]=3 49 B6R0.2 CC(C)=CB(O)O 6360-1-X3 [0,0,0,0,1,0|1,0,1]=3 50 B6R0.2 CC(C)=CC(=O)O 2321-1-X4 [0,0,0,0,1,0|0,0,0]=1 51 B6R0.2 CC(C)CB(O)O 6160-1-X3 [0,0,0,0,1,0|1,0,2]=4 52 B6R0.2 CC(C)CC(N)=O 4148-1-Y7 [0,0,0,0,1,0|1,0,1]=3 53 B6R0.2 CC(O)CC(=O)[O-] 2129-1-35 [0,0,0,0,1,0|1,0,2]=4 54 B6R0.2 CN(C)CC(=O)O 4158-1-40 [0,0,0,0,1,0|1,0,0]=2 55 B6R0.2 CN(C)CC(N)=S 7167-5-01 [0,0,0,0,1,0|2,1,0]=4 56 B6R0.2 O=C(O)CC(=O)O 2121-1-05 [0,0,0,0,1,0|2,0,0]=3 57 B8R0.28 N=C(N)NCCC(=O)O 4158-1-49 [0,0,0,0,0,1|2,0,1]=4 58 B8R0.28 O=C(O)CSCC(=O)O 6166-1-X2 [0,0,0,0,0,1|2,0,1]=4 59 B5R0.1 C=CCC(C)O 2302-1-00 [2,0,0,0,0,0|1,0,1]=4 60 B5R0.1 C=COC(C)=O 2324-1-50 [2,0,0,0,0,0|2,0,0]=4 61 B5R0.1 CC#CC(=O)O 2521-1-13 [2,0,0,0,0,0|0,0,2]=4 62 B5R0.1 CC(C)=CCBr 1300-9-X0 [2,0,0,0,0,0|1,0,0]=3 63 B5R0.1 CC(C)=CCCl 1300-5-X0 [2,0,0,0,0,0|1,0,0]=3 64 B5R0.1 CC(C)CCO 2101-1-53 [2,0,0,0,0,0|0,0,2]=4 65 B5R0.1 CCCC(=O)Cl 2116-5-09 [2,0,0,0,0,0|1,0,1]=4 66 B5R0.1 CCCC(=O)[O-] 2122-1-X1 [2,0,0,0,0,0|0,0,2]=4 67 B5R0.1 COCC(=O)Cl 2116-5-X4 [2,0,0,0,0,0|2,0,0]=4 68 B5R0.1 CSCC(=O)O 6166-1-05 [2,0,0,0,0,0|1,0,0]=3 69 B5R0.1 O=C(O)CCO 2129-1-Y8 [2,0,0,0,0,0|1,0,1]=4 70 B5R0.2 CCCCC=O 2115-1-00 [2,0,0,0,0,0|0,0,2]=4 71 B7R0.2 CNC(=O)CC(C)=O 4148-1-51 [1,1,0,0,0,0|2,0,0]=4 72 B7R0.2 COC(=O)CC(=O)Cl 2116-5-X2 [1,1,0,0,0,0|2,0,0]=4 73 B7R0.2 COC(=O)CC(=O)[O-] 2123-1-X2 [1,1,0,0,0,0|1,0,1]=4 74 B7R0.2 COC(=O)CC(C)=O 2129-1-72 [1,1,0,0,0,0|2,0,0]=4 75 B7R0.3 C=CCCC(=O)OC 2323-1-0J [1,1,0,0,0,0|0,0,2]=4 76 B7R0.3 CC\C=C\C(=O)OC 2323-1-17 [1,1,0,0,0,0|0,0,2]=4 77 B7R0.3 CC\C=C\C(=O)OC 2323-1-E2 [1,1,0,0,0,0|0,0,2]=4 78 B7R0.4 CCC\C=C\C(=O)O 2321-1-08 [1,1,0,0,0,0|0,0,2]=4 79 B7R0.4 CCO\C=C\C(=O)O 2321-1-X0 [1,1,0,0,0,0|0,0,2]=4 80 B7R0.4 NCCCCC(=O)O 4157-1-37 [1,1,0,0,0,0|0,0,2]=4 81 B7R0.4 NCCNCC(=O)O 4158-1-1D [1,1,0,0,0,0|1,0,1]=4 82 B7R0.4 NCCOCC(=O)O 4157-1-05 [1,1,0,0,0,0|1,0,1]=4 83 B7R0.4 O=C(O)CCCCBr 2121-9-X2 [1,1,0,0,0,0|0,0,2]=4 84 B7R0.5 C=CC[C@H](N)C(=O)O 4357-1-X0 [1,1,0,0,0,0|0,0,2]=4 85 B7R0.5 CCC[C@H](N)C(=O)O 4157-1-SN [1,1,0,0,0,0|0,0,2]=4 86 B7R0.5 COCC(Cl)C(=O)O 2121-5-X1 [1,1,0,0,0,0|1,0,1]=4 87 B7R0.5 COC[C@H](N)C(=O)O 4157-5-S0 [1,1,0,0,0,0|1,0,1]=4 88 B7R0.9 CC(C)(C)CC(=O)O 2121-1-X4 [0,1,0,0,1,0|0,0,1]=3 89 B7R0.9 CC(C)(N)CC(=O)O P911-A-54 [0,1,0,0,1,0|0,0,1]=3 90 B7R0.9 CS(=O)(=O)CC(=O)O 6165-1-01 [0,1,0,0,1,0|2,0,0]=4 91 B7R0.16 CC(=O)C(Cl)C(C)=O 2118-5-01 [0,1,0,0,1,0|2,0,0]=4 92 B7R0.16 CC(C)[C@H](O)C(=O)O 2129-1-S3 [0,1,0,0,1,0|0,0,1]=3 93 B7R0.16 CC(F)C(N)C(=O)O 4157-3-20 [0,1,0,0,1,0|1,0,1]=4 94 B7R0.16 CN(C)C(=O)C(=O)O 4156-1-Z5 [0,1,0,0,1,0|1,0,0]=3 95 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O 4157-1-35 [0,1,0,0,1,0|1,0,1]=4 96 B9R0.1 COC(=O)CCCC(C)=O 2129-1-1R [0,1,0,0,0,1|1,0,1]=4 97 B9R0.1 COC(=O)\C=C\CC(C)C 2323-1-X4 [0,1,0,0,0,1|0,0,2]=4 98 B9R0.7 CC(=O)N(C)CCC(=O)O 4158-1-X3 [0,1,0,0,0,1|1,0,1]=4 99 B9R0.7 O=C(O)CCC(=O)C(=O)O 2129-1-00 [0,1,0,0,0,1|2,0,0]=4 100 B9R0.7 O=C(O)CCC(F)=C(F)F 2321-3-05 [0,1,0,0,0,1|2,0,0]=4 101 B9R0.23 COC(=O)C(=O)CC(C)=O 2129-1-Y3 [0,2,0,0,0,0|2,0,0]=4 102 B9R0.23 COC(=O)[C@@H](N)CC(C)C 4158-5-SG [0,2,0,0,0,0|0,0,2]=4 103 B9R0.23 COC(=O)[C@H](N)CC(C)C 4158-5-RG [0,2,0,0,0,0|0,0,2]=4 104 B9R0.42 C=C(CC(=O)OC)C(=O)O 2323-1-19 [0,2,0,0,0,0|2,0,0]=4 105 B9R0.42 COC(=O)CC(=O)C(C)C 2129-1-68 [0,2,0,0,0,0|0,0,1]=3 106 B9R0.42 COC(=O)C[C@H](N)C(=O)O 4157-5-S2 [0,2,0,0,0,0|1,0,1]=4 107 B9R0.48 CCOC(=O)CCC(C)=O 2129-1-17 [0,2,0,0,0,0|1,0,1]=4 108 B9R0.48 CCOC(=O)CNC(C)C 4158-5-09 [0,2,0,0,0,0|1,0,1]=4 109 B9R0.48 CCOC(=O)\C=C\C(=O)O 2323-1-34 [0,2,0,0,0,0|1,0,1]=4 110 B9R0.48 CCOC(=O)\C=C\N(C)C 4358-1-X1 [0,2,0,0,0,0|1,0,1]=4 111 B9R0.39 CC(=O)N[C@@H](CS)C(=O)O 8158-1-X1 [0,2,0,0,0,0|2,0,0]=4 112 B7R1.2 CC1=CC(=O)CC1 2417-1-07 [1,0,0,1,0,0|0,0,2]=4 113 B7R1.2 CC1=CC=C(C)O1 2H10-1-X9 [1,0,0,1,0,0|1,0,1]=4 114 B7R1.2 CC1=NNC(=O)C1 4H17-1-1W [1,0,0,1,0,0|2,0,0]=4 115 B7R1.2 O=C1CCC(=O)C1 P911-A-79 [1,0,0,1,0,0|1,0,1]=4 116 B7R1.2 O=C1CCC(=O)O1 2H26-1-X5 [1,0,0,1,0,0|1,0,1]=4 117 B7R1.2 O=C1COC(=O)C1 2H25-1-29 [1,0,0,1,0,0|2,0,0]=4 118 B7R1.3 CC1=CCC=CC1 1200-1-0A [1,0,0,1,0,0|1,0,0]=3 119 B7R1.3 CC1=CCCCC1 1400-1-04 [1,0,0,1,0,0|1,0,1]=4 120 B7R1.3 CC1=CCCNC1 3H31-5-0N [1,0,0,1,0,0|1,0,1]=4 121 B7R1.3 O=C1C=CCCO1 2H25-1-78 [1,0,0,1,0,0|0,0,2]=4 122 B7R1.3 O=C1CCCCO1 2H25-1-X4 [1,0,0,1,0,0|0,0,2]=4 123 B7R1.18 O=C(O)C1CNC1 P911-A-52 [1,0,0,1,0,0|1,0,1]=4 124 B7R1.18 O=C(O)[C@H]1CCN1 4H57-1-03 [1,0,0,1,0,0|1,0,1]=4 125 B7R1.20 O=C(O)CC1CC1 2221-1-X4 [1,0,0,1,0,0|0,0,2]=4 126 B9R1.35 CC1=CC(C(=O)O)=CS1 6H21-1-X6 [0,0,0,1,0,1|0,0,2]=4 127 B9R1.35 CC1=CC=C(C(=O)O)O1 2H21-1-29 [0,0,0,1,0,1|1,0,1]=4 128 B9R1.35 CC1=CC=C(C(=O)O)S1 6H21-1-01 [0,0,0,1,0,1|1,0,1]=4 129 B9R1.35 CC1=CN=C(C(=O)O)S1 P311-A-40 [0,0,0,1,0,1|1,0,1]=4 130 B9R1.35 CC1=CSC(C(=O)O)=C1 6H21-1-X9 [0,0,0,1,0,1|0,0,2]=4 131 B9R1.35 CC1=NC(C(=O)O)=CO1 4H21-1-79 [0,0,0,1,0,1|1,0,1]=4 132 B9R1.35 CC1=NC(C(=O)O)=CS1 P612-A-32 [0,0,0,1,0,1|1,0,1]=4 133 B9R1.35 CC1=NC=C(C(=O)O)S1 8H21-1-X9 [0,0,0,1,0,1|1,0,1]=4 134 B9R1.35 CN1CCC(C(=O)O)C1 4H58-1-E4 [0,0,0,1,0,1|1,0,1]=4 135 B9R1.35 O=C1CC(C(=O)O)CN1 4H58-1-24 [0,0,0,1,0,1|1,0,1]=4 136 B9R1.82 COC(=O)C1CC(=O)C1 2229-1-02 [0,1,0,1,0,0|1,0,1]=4 137 B9R1.137 CC(=O)CC(=O)C1CC1 2218-1-15 [0,1,0,1,0,0|1,0,1]=4 138 B9R1.164 CC1(C)CC(C(=O)O)C1 2221-1-27 [0,1,0,1,0,0|0,0,2]=4 139 B5R0.5 C=C(F)C(=O)O 2321-3-06 [0,0,0,0,2,0|1,0,1]=4 140 B5R0.5 CC(=O)C(=O)O 2129-1-03 [0,0,0,0,2,0|1,0,0]=3 141 B5R0.5 CC(=O)C(C)=O 2118-1-05 [0,0,0,0,2,0|2,0,0]=4 142 B5R0.5 CC(=O)C(C)C 2117-1-13 [0,0,0,0,2,0|1,0,1]=4 143 B5R0.5 CC(=O)N(C)C 4148-1-08 [0,0,0,0,2,0|2,0,0]=4 144 B5R0.5 CC(C)=C(C)C 1300-1-X1 [0,0,0,0,2,0|2,0,0]=4 145 B5R0.5 CC(C)C(=O)Cl 2116-5-05 [0,0,0,0,2,0|1,0,1]=4 146 B5R0.5 CC(F)C(=O)O 2121-3-95 [0,0,0,0,2,0|1,0,1]=4 147 B5R0.5 C[C@@H](Cl)C(=O)O 2121-5-R1 [0,0,0,0,2,0|1,0,1]=4 148 B5R0.5 C[C@H](N)C(=O)O 4157-1-S5 [0,0,0,0,2,0|1,0,1]=4 149 B5R0.5 C[C@H](O)C(=O)O 2129-1-S8 [0,0,0,0,2,0|1,0,1]=4 150 B5R0.5 O=C(O)C(=O)O 2121-1-12 [0,0,0,0,2,0|2,0,0]=4 151 B5R0.5 [C@@H](C)(Cl)C(=O)O 2121-5-S1 [0,0,0,0,2,0|1,0,1]=4 152 B9R0.55 CC(=O)CCCCC(=O)O 2121-1-X0 [0,0,0,0,0,2|1,0,1]=4 153 B9R0.55 CN(C)CCCCC(=O)O 4133-5-02 [0,0,0,0,0,2|1,0,1]=4