0 B8R0.9 CC(=O)NNC(=O)CCl 2532AE [0,0,0,0,0,0|4,0,0]=4 1 B8R0.9 CCC(=O)CCC(=O)O 8820AC [0,0,0,0,0,0|2,0,0]=2 2 B8R0.9 CCS(=O)CCC(=O)O 4032AD [0,0,0,0,0,0|3,0,0]=3 3 B8R0.9 CNC(=O)CNC(C)=O 4960AH [0,0,0,0,0,0|2,0,0]=2 4 B8R0.9 COC(=O)CCC(N)=O 8250AL [0,0,0,0,0,0|1,0,0]=1 5 B8R0.9 COC(=O)CCS(=O)[O-] 4967AC [0,0,0,0,0,0|2,0,0]=2 6 B8R0.9 O=C(O)CNC(=O)CCl 7081AE [0,0,0,0,0,0|4,0,0]=4 7 B7R0.3 C=CCOC(=O)OC Z3261 [1,0,0,0,0,0|1,0,1]=3 8 B7R0.3 CCCCC(=O)CC 7786AF [1,0,0,0,0,0|1,0,1]=3 9 B7R0.3 CCCCC(=O)NN X5269 [1,0,0,0,0,0|2,0,1]=4 10 B7R0.3 CCCOC(=O)CC 7524AF [1,0,0,0,0,0|2,0,1]=4 11 B7R0.3 COC(=O)CCCN 3563AL [1,0,0,0,0,0|1,0,1]=3 12 B7R0.3 COC(=O)CN=C=S 7159AD [1,0,0,0,0,0|1,1,1]=4 13 B7R0.3 COC(=O)CNC=O 3413AB [1,0,0,0,0,0|1,0,0]=2 14 B7R0.4 CC(=O)CCCCCl D718 [1,0,0,0,0,0|2,0,1]=4 15 B7R0.4 CCCCSC(C)=O 3195AL [1,0,0,0,0,0|2,0,1]=4 16 B7R0.4 CNCCCC(=O)O 2115AA [1,0,0,0,0,0|2,0,1]=4 17 B7R0.4 COCCCC(=O)O 2917AB [1,0,0,0,0,0|1,0,1]=3 18 B7R0.6 C=C(C)CCC(=O)O 0114AA [1,0,0,0,0,0|1,0,0]=2 19 B7R0.6 CC(=O)CNC(C)=O 2096AC [1,0,0,0,0,0|1,0,0]=2 20 B7R0.6 CC(C)OCC(=O)O 0549AE [1,0,0,0,0,0|2,0,1]=4 21 B7R0.6 CC(Cl)CCC(=O)Cl 6146AJ [1,0,0,0,0,0|2,0,1]=4 22 B7R0.6 C[S+](C)CCC(=O)O 4030AL [1,0,0,0,0,0|2,0,0]=3 23 B7R0.6 O=C(O)\C=C\C(=O)O X2063 [1,0,0,0,0,0|1,0,2]=4 24 B7R0.6 O=C([O-])\C=C/C(=O)O 8175AL [1,0,0,0,0,0|1,0,2]=4 25 B9R0.7 C=C(C)C(=O)NCC(=O)O 1598AB [0,1,0,0,0,0|3,0,0]=4 26 B9R0.7 CC(Cl)C(=O)NCC(=O)O K520 [0,1,0,0,0,0|3,0,0]=4 27 B9R0.7 CC(N)C(=O)NCC(=O)O 6628AH [0,1,0,0,0,0|3,0,0]=4 28 B9R0.7 O=C([O-])CCC(=O)C(=O)[O-] 7067AL [0,1,0,0,0,0|3,0,0]=4 29 B9R0.7 O=C([O-])CCC(=O)C(=O)[O-] N727 [0,1,0,0,0,0|3,0,0]=4 30 B9R0.21 COC(=O)CCS(=O)(=O)Cl 7749AA [0,1,0,0,0,0|2,0,0]=3 31 B9R0.23 C=C(NC(C)=O)C(=O)OC 4405AB [0,1,0,0,0,0|1,0,1]=3 32 B9R0.23 COC(=O)C(=O)CC(C)C X2959 [0,1,0,0,0,0|1,0,2]=4 33 B9R0.23 COC(=O)C(C)NC(C)=O 5482AL [0,1,0,0,0,0|1,0,0]=2 34 B9R0.23 COC(=O)[C@@H](C)NC(C)=O 0238AB [0,1,0,0,0,0|1,0,0]=2 35 B9R0.23 COC(=O)[C@@H](N)CC(=O)O V1217 [0,1,0,0,0,0|1,0,0]=2 36 B9R0.23 COC(=O)[C@@H](N)CC(N)=O V1205 [0,1,0,0,0,0|1,0,0]=2 37 B9R0.23 COC(=O)[C@H](N)CC(N)=O 1656AA [0,1,0,0,0,0|1,0,0]=2 38 B9R0.24 CCC(=O)CCC(=O)CC 3019AB [0,1,0,0,0,0|1,0,0]=2 39 B9R0.42 CNC(=O)C[C@@H](N)C(=O)O Y1733 [0,1,0,0,0,0|2,0,0]=3 40 B9R0.42 COC(=O)C[C@@H](N)C(=O)O V1600 [0,1,0,0,0,0|1,0,0]=2 41 B9R0.43 CCC(COC(C)=O)OC 5685AL [0,1,0,0,0,0|2,0,1]=4 42 B9R0.48 CCOC(=O)CCC(C)C 6706AH [0,1,0,0,0,0|1,0,1]=3 43 B9R0.48 CCOC(=O)CCC(N)=O 3830AL [0,1,0,0,0,0|1,0,0]=2 44 B9R0.48 CCOC(=O)\C=C\C(C)=O 1161AL [0,1,0,0,0,0|0,0,2]=3 45 B9R1.1 COC1CCC(=O)CC1 X9889 [0,0,0,1,0,0|1,0,1]=3 46 B9R1.10 O=C1CCS(=O)(=O)CC1 W3795 [0,0,0,1,0,0|3,0,0]=4 47 B9R1.35 NC(=O)C1CCC(=O)N1 2959AL [0,0,0,1,0,0|3,0,0]=4 48 B9R1.35 O=C1CC(C(=O)O)CN1 1273AC [0,0,0,1,0,0|2,0,0]=3 49 B9R1.35 O=C1CCC(C(=O)O)C1 X3245 [0,0,0,1,0,0|2,0,0]=3 50 B9R1.35 O=C1CCC(C(=O)O)O1 Y8251 [0,0,0,1,0,0|3,0,0]=4 51 B9R1.35 O=C1CN[C@H](C(=O)O)C1 Z1691 [0,0,0,1,0,0|3,0,0]=4 52 B9R1.49 CN1CCNC(=O)CC1 3270AC [0,0,0,1,0,0|3,0,0]=4 53 B9R1.49 CN1CCNC(=O)CC1 W6867 [0,0,0,1,0,0|3,0,0]=4 54 B9R1.69 C[C@@H]1NC(=O)CNC1=O Z5878 [0,0,0,1,0,0|3,0,0]=4 55 B9R1.82 C=C1CC(C(=O)OC)C1 8031AA [0,0,0,1,0,0|1,0,0]=2 56 B9R1.82 COC(=O)C1CC(Cl)C1 8033AA [0,0,0,1,0,0|1,0,1]=3 57 B9R1.82 COC(=O)C1CC(N)C1 6340AA [0,0,0,1,0,0|1,0,1]=3 58 B9R1.82 COC(=O)C1CC(O)C1 6687AB [0,0,0,1,0,0|0,0,2]=3 59 B7R0.2 CC(=O)\C=C(\C)O[Rh] G765 [0,0,0,0,1,0|2,0,1]=4 60 B7R0.2 CCC(=O)CC(C)C 9385AB [0,0,0,0,1,0|2,0,1]=4 61 B7R0.2 CNC(=O)NC(C)=O 7251AF [0,0,0,0,1,0|2,0,0]=3 62 B7R0.2 COC(=O)CC(C)C 8842AJ [0,0,0,0,1,0|1,0,1]=3 63 B7R0.2 COC(=O)CN(C)C X7323 [0,0,0,0,1,0|2,0,0]=3 64 B9R0.1 CCC(=O)CCCC(=O)O 1673AE [0,0,0,0,0,1|2,0,0]=3 65 B9R0.1 CCC(C)CCOC(C)=O 6119AL [0,0,0,0,0,1|2,0,1]=4 66 B9R0.1 CCC(C)OCCC(C)=O 6681AL [0,0,0,0,0,1|2,0,1]=4 67 B6R0.1 CCNC(=O)CC 8553AL [2,0,0,0,0,0|2,0,0]=4 68 B6R0.1 CCOC(=O)OC 7884AL [2,0,0,0,0,0|1,0,0]=3 69 B6R0.1 CNC(=O)CCN 4757AE [2,0,0,0,0,0|2,0,0]=4 70 B6R0.1 COC(=O)OCCl 0229AP [2,0,0,0,0,0|2,0,0]=4 71 B6R0.1 COC(=O)\C=C\I 9331AB [2,0,0,0,0,0|1,0,1]=4 72 B6R0.1 C\C=C\C(=O)CC 2730AL [2,0,0,0,0,0|1,0,1]=4 73 B6R0.4 CCCSC(C)=O R568 [2,0,0,0,0,0|1,0,1]=4 74 B6R0.4 CCNCC(=O)O X5133 [2,0,0,0,0,0|1,0,1]=4 75 B6R0.4 CSCCC(C)=O L760 [2,0,0,0,0,0|0,1,0]=3 76 B6R0.4 N#CCCC(=O)O W3483 [2,0,0,0,0,0|1,0,1]=4 77 B8R0.1 C=CCCC(=O)OCC 7864AL [1,1,0,0,0,0|0,0,1]=3 78 B8R0.1 C=CCOC(=O)OCC 7327AL [1,1,0,0,0,0|1,0,1]=4 79 B8R0.1 CCOC(=O)CCC#N 7342AC [1,1,0,0,0,0|1,0,1]=4 80 B8R0.1 CCOC(=O)CCCI 1537AC [1,1,0,0,0,0|1,0,1]=4 81 B8R0.1 CCOC(=O)CCNC 7579AD [1,1,0,0,0,0|1,0,0]=3 82 B8R0.1 CCOC(=O)\C=C\C=O Z4570 [1,1,0,0,0,0|0,0,2]=4 83 B8R0.3 C#CC[C@H](N)C(=O)OC 8457AA [1,1,0,0,0,0|0,0,2]=4 84 B8R0.3 CCCC(=O)C(=O)OC 8222AL [1,1,0,0,0,0|0,0,2]=4 85 B8R0.3 COC(=O)C(C)CCCl 4098AD [1,1,0,0,0,0|1,0,1]=4 86 B8R0.3 COC(=O)[C@H](C)NC=O 7006AH [1,1,0,0,0,0|1,0,0]=3 87 B8R0.6 CCCCCC(=O)CC 6144AL [1,1,0,0,0,0|1,0,1]=4 88 B8R0.6 CCCCNC(=O)CC 8516AL [1,1,0,0,0,0|1,0,1]=4 89 B8R0.6 CCC\C=C\C(=O)OC 6957AJ [1,1,0,0,0,0|0,0,2]=4 90 B8R0.6 COC(=O)CCCCN 3063AB [1,1,0,0,0,0|0,0,1]=3 91 B8R0.6 COC(=O)CCN=C=S 6385AD [1,1,0,0,0,0|0,1,1]=4 92 B8R0.6 COC(=O)COCCCl 2910AC [1,1,0,0,0,0|1,0,1]=4 93 B8R0.19 CC[C@H](O)CC(=O)OC 5880AB [1,1,0,0,0,0|0,0,1]=3 94 B8R0.19 COC(=O)CN(C)C=O V7303 [1,1,0,0,0,0|1,0,0]=3 95 B8R0.28 CC(=O)CCCC(C)C 5697AC [1,1,0,0,0,0|1,0,1]=4 96 B8R0.28 CC(=O)CCOC(C)=O 0405AA [1,1,0,0,0,0|2,0,0]=4 97 B8R0.28 CC(=O)OCC=C(C)C 3268AA [1,1,0,0,0,0|2,0,0]=4 98 B8R0.23 C=C(Br)C[C@@H](N)C(=O)O 2368AB [1,1,0,0,0,0|1,0,1]=4 99 B8R0.23 C=C(Br)C[C@H](N)C(=O)O 7577AA [1,1,0,0,0,0|1,0,1]=4 100 B8R0.23 CC(C)C(N)CC(=O)O X3317 [1,1,0,0,0,0|1,0,1]=4 101 B8R0.23 CC(C)CC(Br)C(=O)O X2075 [1,1,0,0,0,0|1,0,1]=4 102 B8R0.23 CC(C)CC(O)C(=O)O C466 [1,1,0,0,0,0|1,0,1]=4 103 B8R0.23 CC(C)C[C@@H](O)C(=O)O V4198 [1,1,0,0,0,0|1,0,1]=4 104 B8R0.23 CC(C)C[C@H](Cl)C(=O)O Z6036 [1,1,0,0,0,0|1,0,1]=4 105 B8R0.23 CC(C)[C@@H](N)CC(=O)O W6092 [1,1,0,0,0,0|1,0,1]=4 106 B8R0.23 CC(C)[C@H](N)CC(=O)O 1215AL [1,1,0,0,0,0|1,0,1]=4 107 B8R0.23 CC(NC(N)=O)C(=O)O 3202AL [1,1,0,0,0,0|2,0,0]=4 108 B8R0.23 C[C@@H](CC(=O)O)C(=O)O V1342 [1,1,0,0,0,0|1,0,0]=3 109 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O W5530 [1,1,0,0,0,0|0,0,2]=4 110 B8R0.23 NC(=O)C[C@H](N)C(N)=O 7075AH [1,1,0,0,0,0|2,0,0]=4 111 B8R0.23 NC(CC(=O)O)C(=O)[O-] 3294AL [1,1,0,0,0,0|1,0,0]=3 112 B8R0.23 NC(CC(=O)[O-])C(=O)O X5496 [1,1,0,0,0,0|1,0,0]=3 113 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)O 6072AH [1,1,0,0,0,0|1,0,0]=3 114 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)O 7299AH [1,1,0,0,0,0|1,0,0]=3 115 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)O 7654AH [1,1,0,0,0,0|1,0,0]=3 116 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] S499 [1,1,0,0,0,0|1,0,1]=4 117 B8R0.23 O=C(O)CC(Br)C(=O)O S343 [1,1,0,0,0,0|1,0,0]=3 118 B8R0.23 O=C(O)CC(O)C(=O)O 8844AL [1,1,0,0,0,0|1,0,0]=3 119 B8R0.29 CS(=O)(=O)CCC(=O)O X6626 [1,1,0,0,0,0|1,0,0]=3 120 B8R0.29 CS(=O)(=O)NCC(=O)O 1528AE [1,1,0,0,0,0|2,0,0]=4 121 B8R0.29 NS(=O)(=O)CCC(=O)O W3363 [1,1,0,0,0,0|2,0,0]=4 122 B8R0.2 COC(=O)C(N)C(C)O W7414 [0,1,0,0,1,0|0,0,2]=4 123 B8R0.2 COC(=O)[C@@H](N)[C@@H](C)O 3963AB [0,1,0,0,1,0|0,0,2]=4 124 B8R0.2 COC(=O)[C@@H](N)[C@H](C)O W8506 [0,1,0,0,1,0|0,0,2]=4 125 B8R0.2 [C@@H](O)(C(=O)OC)C(C)C 9861AL [0,1,0,0,1,0|1,0,1]=4 126 B8R0.24 COC(=O)CS(=O)(=O)Cl V6631 [0,1,0,0,1,0|2,0,0]=4 127 B8R0.24 COC(=O)CS(=O)(=O)[O-] 7336AJ [0,1,0,0,1,0|2,0,0]=4 128 B8R0.24 COC(=O)C[Si](C)(C)C 8796AJ [0,1,0,0,1,0|1,1,0]=4 129 B10R0.3 CCCC(=O)CCCC(=O)O 1674AE [0,1,0,0,0,1|2,0,0]=4 130 B10R0.44 COC(=O)CC(=O)CC(C)C 3273AJ [0,1,0,0,0,1|1,0,1]=4 131 B10R0.44 COC(=O)CC(C)CC(=O)O Z4530 [0,1,0,0,0,1|1,0,0]=3 132 B10R0.57 COC(=O)[C@@H](C)CSC(C)=O 4139AL [0,1,0,0,0,1|0,0,0]=2 133 B10R0.57 COC(=O)[C@@H](N)CCC(N)=O 3665AB [0,1,0,0,0,1|1,0,0]=3 134 B10R0.57 COC(=O)[C@H](N)CCC(=O)O 2389AB [0,1,0,0,0,1|1,0,0]=3 135 B10R0.57 COC(=O)[C@H](N)CCC(N)=O Z3655 [0,1,0,0,0,1|1,0,0]=3 136 B10R0.57 [C@H](N)(CCC(=O)O)C(=O)OC V1174 [0,1,0,0,0,1|1,0,0]=3 137 B10R0.82 COC(=O)CCC(N)C(=O)O 7109AH [0,1,0,0,0,1|1,0,0]=3 138 B10R0.32 CCOC(=O)C(O)CC(C)C X8664 [0,2,0,0,0,0|1,0,1]=4 139 B10R0.32 CCOC(=O)[C@@H](N)CC(=O)O 1434AC [0,2,0,0,0,0|1,0,0]=3 140 B10R0.141 COC(=O)C(C)(C)CC(=O)O W5470 [0,2,0,0,0,0|1,0,0]=3 141 B10R0.96 CC(=O)CC(=O)CCC(=O)O 7197AB [0,2,0,0,0,0|2,0,0]=4 142 B8R1.1 COC1=CC(=O)CC1 6398AB [1,0,0,1,0,0|1,0,0]=3 143 B8R1.1 COC1=CC(=O)OC1 1405AQ [1,0,0,1,0,0|2,0,0]=4 144 B8R1.2 COC1=CCC=CC1 Y5373 [1,0,0,1,0,0|1,0,1]=4 145 B8R1.5 CC1CNCCC1=O W6393 [1,0,0,1,0,0|2,0,0]=4 146 B8R1.22 O=C1CCOCCN1 0717AP [1,0,0,1,0,0|2,0,0]=4 147 B8R1.22 O=C1CCOCCO1 4654AL [1,0,0,1,0,0|1,0,0]=3 148 B8R1.38 COC(=O)C1CCC1 9430AE [1,0,0,1,0,0|0,0,1]=3 149 B8R1.38 COC(=O)C1CCN1 3825AJ [1,0,0,1,0,0|1,0,1]=4 150 B8R1.50 CN1C(=O)CSC1=O 8285AA [1,0,0,1,0,0|2,0,0]=4 151 B8R1.50 NN1C(=O)CCC1=O 8496AL [1,0,0,1,0,0|2,0,0]=4 152 B8R1.50 O=C1CCC(=O)N1O 4715AH [1,0,0,1,0,0|2,0,0]=4 153 B8R1.4 CC1CC(=O)CCN1 6568AA [1,0,0,1,0,0|2,0,0]=4 154 B8R1.4 CC1CC(=O)CCO1 3309AA [1,0,0,1,0,0|2,0,0]=4 155 B8R1.34 O=C(O)CC1COC1 3631AD [1,0,0,1,0,0|1,0,1]=4 156 B8R1.23 C=C1CC(C(=O)O)C1 Y3237 [1,0,0,1,0,0|1,0,0]=3 157 B8R1.23 CC1CC(C(=O)O)C1 W7069 [1,0,0,1,0,0|1,0,1]=4 158 B8R1.23 O=C(O)C1CC(O)C1 W4156 [1,0,0,1,0,0|0,0,2]=4 159 B8R1.77 CC1(C)C[C@@H]1C(=O)O Z4170 [1,0,0,1,0,0|1,0,1]=4 160 B10R1.13 C=C1CCN(C(C)=O)CC1 5044AJ [0,0,0,1,0,1|2,0,0]=4 161 B10R1.13 CC(=O)C1CC=C(C)CC1 Z4935 [0,0,0,1,0,1|2,0,0]=4 162 B10R1.13 NC(=O)N1CCC(=O)CC1 3244AB [0,0,0,1,0,1|2,0,0]=4 163 B10R1.13 O=C1CCC(C(=O)O)CN1 1361AB [0,0,0,1,0,1|2,0,0]=4 164 B10R1.14 COC(=O)C1=CC(=O)CC1 X3410 [0,0,0,1,0,1|0,0,1]=3 165 B10R1.14 COC(=O)C1CCC(=O)C1 W5454 [0,0,0,1,0,1|0,0,0]=2 166 B10R1.14 COC(=O)C1CCN(C)C1 1024AE [0,0,0,1,0,1|2,0,0]=4 167 B10R1.14 COC(=O)[C@@H]1C[C@H](F)CN1 V6761 [0,0,0,1,0,1|1,0,1]=4 168 B10R1.14 COC(=O)[C@H]1COC(=O)N1 7123AA [0,0,0,1,0,1|1,0,0]=3 169 B10R1.153 COC(=O)CCNC1CC1 6994AJ [0,0,0,1,0,1|1,0,1]=4 170 B10R1.58 CN1CC(C(=O)O)CC1=O V5890 [0,1,0,1,0,0|2,0,0]=4 171 B10R1.413 COC(=O)C1CC(F)(F)C1 2735AD [0,1,0,1,0,0|1,0,1]=4 172 B10R1.64 O=C(O)CN1CCOC1=O 9198AE [0,1,0,1,0,0|2,0,0]=4 173 B10R1.113 O=C1CCCC(C(=O)O)C1 8202AA [0,1,0,1,0,0|2,0,0]=4 174 B10R1.1 CCOC1CCC(=O)CC1 7957AD [0,1,0,1,0,0|1,0,1]=4 175 B10R1.140 CCOC(=O)C1CC(O)C1 Y6088 [0,1,0,1,0,0|0,0,2]=4 176 B6R0.2 CC(=O)NC(C)=O 7247AF [1,0,0,0,1,0|1,0,0]=3 177 B6R0.2 CC(Cl)CC(=O)O 7238AF [1,0,0,0,1,0|1,0,1]=4 178 B6R0.2 CC(N)CC(=O)O 3162AL [1,0,0,0,1,0|1,0,1]=4 179 B6R0.2 C[C@@H](N)CC(=O)O Z5926 [1,0,0,0,1,0|1,0,1]=4 180 B6R0.2 C[C@H](N)CC(=O)O W5861 [1,0,0,0,1,0|1,0,1]=4 181 B6R0.3 C=C(C)C(=O)NC 3763AL [0,0,0,0,2,0|2,0,0]=4 182 B6R0.3 CC(=O)C(=O)CBr W6757 [0,0,0,0,2,0|2,0,0]=4 183 B6R0.3 CCC(=O)C(C)=O 7386AF [0,0,0,0,2,0|1,0,0]=3 184 B10R0.55 COC(=O)CCCCC(C)=O 0506AB [0,0,0,0,0,2|0,0,0]=2