0 B7R0.6 C=C(C)CCC(=O)O 2321-1-0E [0,0,0,0,0,0|2,0,2]=4 1 B7R0.6 CC(=O)NNC(C)=O 4139-1-02 [0,0,0,0,0,0|4,0,0]=4 2 B7R0.6 CC(=O)\C=C\C(=O)O 2329-1-08 [0,0,0,0,0,0|1,0,0]=1 3 B7R0.6 FC(F)=CC=C(F)F 1300-3-78 [0,0,0,0,0,0|4,0,0]=4 4 B7R0.6 O=C(Cl)CCC(=O)Cl 2116-5-18 [0,0,0,0,0,0|2,0,2]=4 5 B7R0.6 O=C(O)CCC(=O)O 2121-1-24 [0,0,0,0,0,0|0,0,2]=2 6 B7R0.6 O=C(O)\C=C\C(F)F 2321-3-10 [0,0,0,0,0,0|2,0,1]=3 7 B7R0.6 O=C([O-])CCC(=O)[O-] 2122-1-00 [0,0,0,0,0,0|0,0,4]=4 8 B6R0.4 C=CCCC(=O)O 2321-1-0D [1,0,0,0,0,0|1,0,2]=4 9 B6R0.4 CC(=O)OCC=O 2123-1-53 [1,0,0,0,0,0|2,0,1]=4 10 B6R0.4 CC\C=C\C(=O)O 2321-1-X5 [1,0,0,0,0,0|1,0,1]=3 11 B6R0.4 CO\C=C\C(C)=O 2317-1-00 [1,0,0,0,0,0|3,0,0]=4 12 B6R0.4 CO\N=C\C(=O)O 4135-1-01 [1,0,0,0,0,0|3,0,0]=4 13 B6R0.4 O=C(O)\C=C\CBr 2321-9-00 [1,0,0,0,0,0|1,0,1]=3 14 B8R0.9 CNC(=O)\C=C/C(=O)O 4348-1-17 [0,1,0,0,0,0|1,0,0]=2 15 B8R0.9 COC(=O)CCC(=O)Cl 2123-5-1D [0,1,0,0,0,0|1,0,2]=4 16 B8R0.9 COC(=O)CCC(N)=O 4148-1-1L [0,1,0,0,0,0|1,0,2]=4 17 B8R0.9 COC(=O)\C=C\C(=O)O 2323-1-35 [0,1,0,0,0,0|0,0,0]=1 18 B8R0.9 COC(=O)\C=C\C(C)=O 2329-1-E0 [0,1,0,0,0,0|1,0,0]=2 19 B8R0.23 CC(=O)CC(C)C(=O)O 2129-1-0G [0,1,0,0,0,0|1,0,2]=4 20 B8R0.23 CC(=O)O[C@@H](C)C(=O)O 2123-1-S2 [0,1,0,0,0,0|2,0,1]=4 21 B8R0.23 CC(CC(=O)O)C(=O)O 2121-1-0D [0,1,0,0,0,0|0,0,2]=3 22 B8R0.23 C[C@@H](CC(=O)O)C(=O)O 2121-1-S3 [0,1,0,0,0,0|0,0,2]=3 23 B8R0.23 C[C@H](CC(=O)O)C(=O)O 2121-1-R3 [0,1,0,0,0,0|0,0,2]=3 24 B8R0.23 C\C(=C\C(=O)O)C(=O)O 2321-1-Z3 [0,1,0,0,0,0|0,0,0]=1 25 B8R0.23 NC(=O)CC(N)C(=O)O 4157-1-26 [0,1,0,0,0,0|1,0,2]=4 26 B8R0.23 NC(=O)C[C@H](N)C(=O)O 5157-1-01 [0,1,0,0,0,0|1,0,2]=4 27 B8R0.23 NC(CC(=O)O)C(=O)O 4157-1-0G [0,1,0,0,0,0|0,0,2]=3 28 B8R0.23 N[C@@H](CS(=O)O)C(=O)O 8157-1-02 [0,1,0,0,0,0|1,0,2]=4 29 B8R0.23 O=C(O)CC(S)C(=O)O 6161-1-X2 [0,1,0,0,0,0|0,0,2]=3 30 B8R0.23 O=C(O)C[C@H](Br)C(=O)O 2121-9-S2 [0,1,0,0,0,0|0,0,2]=3 31 B8R0.23 O=C(O)C[C@H](O)C(=O)O 2129-1-S4 [0,1,0,0,0,0|0,0,2]=3 32 B8R0.29 O=C(O)CCP(=O)(O)O 6177-1-28 [0,1,0,0,0,0|1,0,2]=4 33 B8R0.29 O=C(O)\C=C\C(F)(F)Br 2321-B-01 [0,1,0,0,0,0|2,0,1]=4 34 B8R1.3 CC1=CC=C(O)C=N1 4H01-1-2J [0,0,0,1,0,0|3,0,0]=4 35 B8R1.3 CC1=CC=C(O)N=C1 4H01-1-5K [0,0,0,1,0,0|3,0,0]=4 36 B8R1.3 CC1=CNC(=O)C=C1 G311-A-39 [0,0,0,1,0,0|3,0,0]=4 37 B8R1.3 NC1=CN=C(O)C=C1 4H56-1-VJ [0,0,0,1,0,0|3,0,0]=4 38 B8R1.3 NC1=NC=C(O)C=C1 4H56-1-VH [0,0,0,1,0,0|3,0,0]=4 39 B8R1.3 NC1=NC=C(O)C=C1 4H56-5-Z1 [0,0,0,1,0,0|3,0,0]=4 40 B8R1.3 O=C1C=CC(F)=NN1 4H48-3-80 [0,0,0,1,0,0|3,0,0]=4 41 B8R1.3 OC1=CC=C(Br)N=N1 4H01-9-0L [0,0,0,1,0,0|3,0,0]=4 42 B8R1.3 OC1=CC=C(Cl)C=N1 4H01-5-31 [0,0,0,1,0,0|3,0,0]=4 43 B8R1.3 OC1=CC=C(I)N=C1 4H01-H-02 [0,0,0,1,0,0|3,0,0]=4 44 B8R1.3 OC1=CC=C(O)N=C1 4H56-1-0MN [0,0,0,1,0,0|2,0,0]=3 45 B8R1.3 OC1=CN=C(O)N=C1 4H56-1-631 [0,0,0,1,0,0|3,0,0]=4 46 B6R0.2 CC(=O)SC(C)=O 6166-1-0H [0,0,0,0,1,0|3,0,0]=4 47 B6R0.2 CC(=O)\C=C(\C)[O-] 2320-1-02 [0,0,0,0,1,0|2,0,1]=4 48 B6R0.2 CC(=O)\C=C(\C)[O-] 2322-1-06 [0,0,0,0,1,0|2,0,1]=4 49 B6R0.2 CC(=O)\C=C(\C)[O-] 9126-1-X0 [0,0,0,0,1,0|2,0,1]=4 50 B6R0.2 CC(=O)\C=C(\C)[O-] 9160-1-X0 [0,0,0,0,1,0|2,0,1]=4 51 B6R0.2 CC(=O)\C=C(\C)[O-] 9182-1-X0 [0,0,0,0,1,0|2,0,1]=4 52 B6R0.2 CC(C)=CC(=O)Cl 2316-5-05 [0,0,0,0,1,0|3,0,0]=4 53 B6R0.2 NC(=O)CC(N)=O 4148-1-Y8 [0,0,0,0,1,0|2,0,1]=4 54 B6R0.2 O=C([O-])CC(=O)[O-] 2122-1-09 [0,0,0,0,1,0|0,0,3]=4 55 B8R0.28 CC(=O)CCCC(=O)O 2129-1-0X [0,0,0,0,0,1|1,0,2]=4 56 B8R0.28 CC(=O)\C=C\C=C(C)C 2317-1-09 [0,0,0,0,0,1|3,0,0]=4 57 B8R0.28 CN(C)C\C=C\C(=O)O 4358-5-32 [0,0,0,0,0,1|3,0,0]=4 58 B8R0.28 NC(=O)COCC(=O)O 4148-1-23 [0,0,0,0,0,1|1,0,2]=4 59 B8R0.28 O=C(O)CCCC(=O)O 2121-1-25 [0,0,0,0,0,1|0,0,2]=3 60 B8R0.28 O=C(O)CNCC(=O)O 4157-1-48 [0,0,0,0,0,1|0,0,2]=3 61 B8R0.28 O=C(O)COCC(=O)O 2121-1-0B [0,0,0,0,0,1|0,0,2]=3 62 B8R0.28 O=C(O)\C=C\CC(=O)O 2321-1-10 [0,0,0,0,0,1|0,0,0]=1 63 B8R0.28 O=C(O)\C=C\CC(=O)O 2321-1-19 [0,0,0,0,0,1|0,0,0]=1 64 B5R0.1 C=CCC(=O)Cl 2316-5-09 [2,0,0,0,0,0|1,0,1]=4 65 B5R0.1 C=CNC(C)=O 4348-1-09 [2,0,0,0,0,0|2,0,0]=4 66 B5R0.1 CC(C)=CC=O 2315-1-00 [2,0,0,0,0,0|2,0,0]=4 67 B5R0.1 C\C=C\C(=O)Cl 2316-5-08 [2,0,0,0,0,0|1,0,1]=4 68 B5R0.1 O=C(O)CCO 2129-1-06 [2,0,0,0,0,0|0,0,2]=4 69 B5R0.1 O=C(O)\C=C/Br 2321-9-Z0 [2,0,0,0,0,0|1,0,0]=3 70 B5R0.1 O=C(O)\C=C\Cl 2321-5-E1 [2,0,0,0,0,0|1,0,0]=3 71 B5R0.1 O=C(O)\C=C\I 2321-H-00 [2,0,0,0,0,0|1,0,0]=3 72 B5R0.2 C\C=C\C=C\C 1300-1-00 [2,0,0,0,0,0|2,0,0]=4 73 B5R0.2 OC\C=C\CO 2304-1-04 [2,0,0,0,0,0|0,0,2]=4 74 B7R0.3 COC(=O)CCC=O 2123-1-29 [1,1,0,0,0,0|0,0,2]=4 75 B7R0.3 CO\C=C\C(=O)OC 2124-1-00 [1,1,0,0,0,0|2,0,0]=4 76 B7R0.4 C=C\C=C\OC(C)=O 2323-1-1G [1,1,0,0,0,0|2,0,0]=4 77 B7R0.4 C\C=C\C=C\C(=O)Cl 2316-5-07 [1,1,0,0,0,0|2,0,0]=4 78 B7R0.4 C\C=C\CCC(=O)O 2321-1-X1 [1,1,0,0,0,0|1,0,1]=4 79 B7R0.5 CC\C=C(/C)C(=O)O 2321-1-0R [1,1,0,0,0,0|1,0,1]=4 80 B7R0.9 O=C(O)CP(=O)(O)O 6177-1-27 [0,1,0,0,1,0|1,0,1]=4 81 B7R0.16 CC(C(=O)O)C(=O)O 2121-1-0M [0,1,0,0,1,0|0,0,1]=3 82 B7R0.16 O=C(O)C(Cl)=C(Cl)Cl 2321-5-01 [0,1,0,0,1,0|2,0,0]=4 83 B7R0.16 O=C(O)C(F)C(=O)O 2121-3-1D [0,1,0,0,1,0|0,0,1]=3 84 B9R0.1 CC(=O)\C=C\C=C(/C)C=O 2317-1-03 [0,1,0,0,0,1|2,0,0]=4 85 B9R0.1 COC(=O)CCCC(=O)O 2123-1-0N [0,1,0,0,0,1|0,0,2]=4 86 B9R0.7 C=C(CCC(=O)O)C(=O)O 2321-1-09 [0,1,0,0,0,1|0,0,1]=3 87 B9R0.7 CC(CCC(=O)O)C(=O)O 2121-1-40 [0,1,0,0,0,1|0,0,2]=4 88 B9R0.7 C[C@@H](CCC(=O)O)C(=O)O 2121-1-0V [0,1,0,0,0,1|0,0,2]=4 89 B9R0.7 C[C@H](CCC(=O)O)C(=O)O 2121-1-R2 [0,1,0,0,0,1|0,0,2]=4 90 B9R0.7 NC(CCC(=O)O)C(=O)O 4157-1-17 [0,1,0,0,0,1|0,0,2]=4 91 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O 4157-5-S4 [0,1,0,0,0,1|0,0,2]=4 92 B9R0.7 N[C@H](CCC(=O)O)C(=O)O 4157-1-R4 [0,1,0,0,0,1|0,0,2]=4 93 B9R0.7 [C@H](N)(CCC(=O)O)C(=O)O 4157-1-S4 [0,1,0,0,0,1|0,0,2]=4 94 B9R0.53 CC(CC(=O)O)CC(=O)O 2121-1-28 [0,1,0,0,0,1|0,0,2]=4 95 B9R0.53 CN(CC(=O)O)CC(=O)O 4157-1-43 [0,1,0,0,0,1|0,0,2]=4 96 B9R0.53 O=C(O)CC(=O)CC(=O)O 2129-1-25 [0,1,0,0,0,1|0,0,1]=3 97 B9R0.24 COC(=O)CCC(=O)OC 2123-1-0Z [0,2,0,0,0,0|0,0,2]=4 98 B9R0.24 COC(=O)NNC(=O)OC 4148-1-06 [0,2,0,0,0,0|2,0,0]=4 99 B9R0.24 COC(=O)\C=C\C(=O)OC 2323-1-16 [0,2,0,0,0,0|0,0,0]=2 100 B9R0.48 CCOC(=O)CCC(=O)O 2123-1-0C [0,2,0,0,0,0|0,0,2]=4 101 B9R0.39 CCC(CC(=O)O)C(=O)O 2121-1-21 [0,2,0,0,0,0|0,0,2]=4 102 B9R0.79 CC(C(=O)O)C(C)C(=O)O 2121-1-0H [0,2,0,0,0,0|0,0,2]=4 103 B9R0.79 NC(C(=O)O)C(N)C(=O)O 4157-1-0M [0,2,0,0,0,0|0,0,2]=4 104 B9R0.79 N[C@@H](C(=O)O)[C@@H](O)C(=O)O 4157-1-0S [0,2,0,0,0,0|0,0,2]=4 105 B9R0.79 N[C@H](C(=O)O)[C@@H](N)C(=O)O 4157-1-42 [0,2,0,0,0,0|0,0,2]=4 106 B9R0.79 O=C(O)C(Br)C(Br)C(=O)O 2121-9-09 [0,2,0,0,0,0|0,0,2]=4 107 B7R1.2 CC1=CC=C(Br)O1 2H10-9-0D [1,0,0,1,0,0|2,0,0]=4 108 B7R1.2 O=C1C=CC(O)C1 2420-1-07 [1,0,0,1,0,0|1,0,1]=4 109 B7R1.3 OC1=CC=CN=C1 4H56-1-T6 [1,0,0,1,0,0|2,0,0]=4 110 B9R1.35 CC(=O)C1=CC=C(C)O1 2H17-1-22 [0,0,0,1,0,1|2,0,0]=4 111 B9R1.35 CC1=CC(C(=O)O)=CN1 4H21-1-JE [0,0,0,1,0,1|2,0,0]=4 112 B9R1.35 CC1=CC=C(C(=O)O)N1 4H21-1-FM [0,0,0,1,0,1|2,0,0]=4 113 B9R1.35 CC1=CNC(C(=O)O)=C1 4H58-1-NN [0,0,0,1,0,1|2,0,0]=4 114 B9R1.35 CC1=CSC(C(=O)O)=N1 P311-A-39 [0,0,0,1,0,1|2,0,0]=4 115 B9R1.35 NC(=O)C1=CC=C(Br)O1 4H48-9-2T [0,0,0,1,0,1|2,0,0]=4 116 B9R1.35 NC1=NC(C(=O)O)=CO1 4H57-1-59 [0,0,0,1,0,1|2,0,0]=4 117 B9R1.35 O=C(Cl)C1=CC=C(Br)O1 2615-D-0A [0,0,0,1,0,1|2,0,0]=4 118 B9R1.35 O=C(O)C1=CC(Br)=CO1 2H21-9-0L [0,0,0,1,0,1|2,0,0]=4 119 B9R1.35 O=C(O)C1=CC(Cl)=CN1 4H21-5-3Q [0,0,0,1,0,1|2,0,0]=4 120 B9R1.35 O=C(O)C1=CC(Cl)=CS1 6H21-5-X3 [0,0,0,1,0,1|2,0,0]=4 121 B9R1.35 O=C(O)C1=CC(F)=CS1 6H21-3-0N [0,0,0,1,0,1|2,0,0]=4 122 B9R1.35 O=C(O)C1=CC=C(Br)O1 2H21-9-01 [0,0,0,1,0,1|1,0,0]=3 123 B9R1.35 O=C(O)C1=CC=C(Cl)O1 2H21-5-09 [0,0,0,1,0,1|1,0,0]=3 124 B9R1.35 O=C(O)C1=CC=C(F)S1 6H21-3-08 [0,0,0,1,0,1|1,1,0]=4 125 B9R1.35 O=C(O)C1=CSC(Br)=N1 8H70-9-X4 [0,0,0,1,0,1|2,0,0]=4 126 B9R1.35 O=C(O)C1=CSC(F)=C1 6H66-3-11 [0,0,0,1,0,1|2,0,0]=4 127 B9R1.35 O=C(O)C1=NNC(O)=C1 4H58-1-020 [0,0,0,1,0,1|2,0,0]=4 128 B9R1.1 OCC1=CC=C(O)N=C1 4H04-1-0M [0,1,0,1,0,0|2,0,0]=4 129 B9R1.1 OCC1=NC=C(O)C=C1 4H56-1-HV [0,1,0,1,0,0|2,0,0]=4 130 B9R1.69 CC1=CC(=O)C=CC1=O 2618-1-0F [0,1,0,1,0,0|2,0,0]=4 131 B9R1.69 CC1=CC(O)=CC=C1O 2704-1-13 [0,1,0,1,0,0|2,0,0]=4 132 B9R1.69 CC1=CC=C(O)C=C1O 2704-1-0F [0,1,0,1,0,0|2,0,0]=4 133 B9R1.69 CN1N=C(O)C=CC1=O 4H18-1-44 [0,1,0,1,0,0|2,0,0]=4 134 B9R1.69 O=C1C=CC(=O)C(F)=C1 2618-3-X9 [0,1,0,1,0,0|2,0,0]=4 135 B9R1.69 O=C1C=CC(=O)C(I)=C1 2418-H-01 [0,1,0,1,0,0|2,0,0]=4 136 B9R1.69 OC1=CC(F)=C(O)C=C1 2604-3-0D [0,1,0,1,0,0|2,0,0]=4 137 B9R1.69 OC1=CC=C(Br)C(O)=C1 2604-9-08 [0,1,0,1,0,0|2,0,0]=4 138 B9R1.69 OC1=CC=C(Cl)C(O)=C1 2604-5-08 [0,1,0,1,0,0|2,0,0]=4 139 B9R1.69 OC1=CC=C(F)C(O)=C1 2604-3-X1 [0,1,0,1,0,0|2,0,0]=4 140 B9R1.69 OC1=CC=C(O)C(O)=C1 2605-1-02 [0,1,0,1,0,0|1,0,1]=4 141 B9R1.69 OC1=CC=C(O)C(S)=C1 6661-1-04 [0,1,0,1,0,0|1,1,0]=4 142 B5R0.5 C=C(C)C(=O)O 2321-1-02 [0,0,0,0,2,0|2,0,0]=4 143 B5R0.5 CC(=O)C(=O)[O-] 2122-1-14 [0,0,0,0,2,0|1,0,1]=4 144 B5R0.5 C[C@@H](O)C(=O)O 2129-1-R8 [0,0,0,0,2,0|1,0,1]=4 145 B5R0.5 NC(=O)C(=O)O 4157-1-60 [0,0,0,0,2,0|1,0,0]=3 146 B5R0.5 O=C(Br)C(=O)Br 2116-8-00 [0,0,0,0,2,0|2,0,0]=4 147 B5R0.5 O=C(F)C(=O)F 2116-2-18 [0,0,0,0,2,0|2,0,0]=4 148 B5R0.5 O=C(O)C(=O)O 2122-1-10 [0,0,0,0,2,0|0,0,0]=2 149 B5R0.5 O=C(O)C(=O)O 4H30-1-7V [0,0,0,0,2,0|0,0,0]=2 150 B5R0.5 O=C([O-])C(=O)[O-] M062-1-03 [0,0,0,0,2,0|0,0,2]=4 151 B9R0.55 O=C(O)C\C=C\CC(=O)O 2321-1-0J [0,0,0,0,0,2|0,0,0]=2 152 B9R0.55 O=C(O)\C=C\C=C\C(=O)O 2321-1-0T [0,0,0,0,0,2|0,0,0]=2 153 B9R0.55 O=C(O)\C=C\CCC(=O)O 2321-1-23 [0,0,0,0,0,2|0,0,0]=2