0 B8R0.8 C=CCSC(C)C(=O)O 5401AE [0,0,0,0,0,0|1,0,2]=3 1 B8R0.8 CC(=O)N(C)CCC#N 3197AE [0,0,0,0,0,0|3,0,1]=4 2 B8R0.8 CCCCC(C)C(C)=O 1634AB [0,0,0,0,0,0|1,0,0]=1 3 B8R0.8 CCCCC(C)C(C)C 5236AL [0,0,0,0,0,0|2,0,1]=3 4 B8R0.8 CCCCC(N)C(N)=O 6641AH [0,0,0,0,0,0|2,0,0]=2 5 B8R0.8 CCCNC(=O)C(=O)O 0106AF [0,0,0,0,0,0|2,0,1]=3 6 B8R0.8 CCCNC(C)C(C)C 2359AE [0,0,0,0,0,0|3,0,1]=4 7 B8R0.8 CSCC[C@@H](N)C(=O)[O-] 8519AE [0,0,0,0,0,0|2,0,1]=3 8 B8R0.8 C[Se]CC[C@H](N)C(=O)O M598 [0,0,0,0,0,0|2,0,0]=2 9 B8R0.8 NOCC[C@@H](N)C(=O)O 5415AA [0,0,0,0,0,0|3,0,0]=3 10 B7R0.3 CCCCC(C)CC 6251AE [1,0,0,0,0,0|1,0,1]=3 11 B7R0.3 CCCCC(O)CC 8762AB [1,0,0,0,0,0|2,0,1]=4 12 B7R0.3 CCCNC(C)CC 2356AE [1,0,0,0,0,0|2,0,1]=4 13 B7R0.4 C=C(C)CCCCC 5698AL [1,0,0,0,0,0|2,0,0]=3 14 B7R0.4 CC(=O)NCCCN V6432 [1,0,0,0,0,0|3,0,0]=4 15 B7R0.4 CC(=O)NCCCO 8280AC [1,0,0,0,0,0|3,0,0]=4 16 B7R0.4 CCCCCC(C)C 5733AL [1,0,0,0,0,0|2,0,1]=4 17 B7R0.4 CCCCCC(C)Cl 5577AL [1,0,0,0,0,0|2,0,1]=4 18 B7R0.4 CCCSCC(=O)O 6980AD [1,0,0,0,0,0|1,0,0]=2 19 B7R0.4 CCOCCC(C)=O 6489AL [1,0,0,0,0,0|2,0,0]=3 20 B7R0.4 CC\C=C\CC(=O)O 7477AF [1,0,0,0,0,0|0,0,2]=3 21 B7R0.4 CNCCCC(=O)O 2115AA [1,0,0,0,0,0|1,0,0]=2 22 B7R0.4 COCC#CC(=O)O 2855AJ [1,0,0,0,0,0|1,0,2]=4 23 B7R0.4 N#CCCCC(=O)O W5958 [1,0,0,0,0,0|1,0,1]=3 24 B7R0.4 NC(=O)CSCCO 6778AD [1,0,0,0,0,0|3,0,0]=4 25 B7R0.5 C=CCC(N)C(=O)O 7090AA [1,0,0,0,0,0|1,0,2]=4 26 B7R0.5 CCCC(=O)C(=O)O 5775AL [1,0,0,0,0,0|1,0,1]=3 27 B7R0.5 CCNC(C)C(N)=O 7697AD [1,0,0,0,0,0|2,0,0]=3 28 B7R0.5 CCSC(C)C(=O)O 6924AD [1,0,0,0,0,0|1,0,0]=2 29 B7R0.5 COCC(Cl)C(=O)O 2065AB [1,0,0,0,0,0|2,0,0]=3 30 B7R0.5 CSC[C@H](N)C(=O)O 2067AC [1,0,0,0,0,0|2,0,0]=3 31 B7R0.5 N#CC[C@H](N)C(=O)O V6942 [1,0,0,0,0,0|2,0,1]=4 32 B7R0.5 NC(CCBr)C(=O)O 1883AC [1,0,0,0,0,0|2,0,0]=3 33 B7R0.5 NC(CCBr)C(=O)O E114 [1,0,0,0,0,0|2,0,0]=3 34 B7R0.5 NCCC(N)C(=O)O W7673 [1,0,0,0,0,0|2,0,0]=3 35 B7R0.5 NCC[C@@H](N)C(=O)O W5006 [1,0,0,0,0,0|2,0,0]=3 36 B7R0.5 NCC[C@H](N)C(=O)O 1360AC [1,0,0,0,0,0|2,0,0]=3 37 B7R0.5 NCC[C@H](N)C(=O)O 7090AH [1,0,0,0,0,0|2,0,0]=3 38 B7R0.5 N[C@H](CCS)C(=O)O 8982AB [1,0,0,0,0,0|2,0,0]=3 39 B9R0.6 CCOC(=O)C(C)C(=O)O 2263AJ [0,1,0,0,0,0|1,0,1]=3 40 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O 7119AH [0,1,0,0,0,0|2,0,1]=4 41 B9R0.7 CC(=O)SC[C@@H](C)C(=O)O K790 [0,1,0,0,0,0|1,0,1]=3 42 B9R0.7 CC(C)CC[C@H](N)C(=O)O 7177AH [0,1,0,0,0,0|1,0,0]=2 43 B9R0.7 CC(C)CNC(=O)C(=O)O 9215AE [0,1,0,0,0,0|2,0,1]=4 44 B9R0.7 CC(NCC(=O)O)C(=O)O 0376AE [0,1,0,0,0,0|2,0,1]=4 45 B9R0.7 C[C@@H](CCC(=O)O)C(=O)O 4199AL [0,1,0,0,0,0|1,0,1]=3 46 B9R0.7 C[S+](C)CCC(N)C(=O)O 7555AF [0,1,0,0,0,0|2,0,0]=3 47 B9R0.8 CCCCN(C)C(=O)CN 5553AD [0,1,0,0,0,0|2,0,0]=3 48 B9R0.42 CCC(=O)NC(C)C(=O)O 5709AE [0,1,0,0,0,0|1,0,1]=3 49 B9R0.42 CCC(C)NC(=O)C(=O)O 9984AE [0,1,0,0,0,0|2,0,1]=4 50 B9R0.42 CCN(C)CC(C)C(=O)O 0859AF [0,1,0,0,0,0|1,0,0]=2 51 B9R0.47 C=CCCC[C@H](N)C(=O)O X6419 [0,1,0,0,0,0|1,0,1]=3 52 B9R0.47 C=CCSC[C@H](N)C(=O)O 8961AB [0,1,0,0,0,0|1,0,2]=4 53 B9R0.47 CCSCC[C@H](N)C(=O)O G582 [0,1,0,0,0,0|1,0,0]=2 54 B9R0.51 CCCCC(C)(C)C(=O)O 5138AL [0,1,0,0,0,0|0,0,0]=1 55 B9R1.6 CC(=O)C1CCCCN1 Y4871 [0,0,0,1,0,0|2,0,0]=3 56 B9R1.6 CC(=O)C1CCCNC1 9444AH [0,0,0,1,0,0|2,0,0]=3 57 B9R1.6 CC(=O)C1CCCNC1 9970AH [0,0,0,1,0,0|2,0,0]=3 58 B9R1.6 CC(C)C1CCCCC1 8132AF [0,0,0,1,0,0|2,0,1]=4 59 B9R1.6 CC(N)C1CCCCC1 7864AB [0,0,0,1,0,0|2,0,1]=4 60 B9R1.6 N=C(N)C1CCCCC1 9640AJ [0,0,0,1,0,0|2,0,0]=3 61 B9R1.6 N=C(N)C1CCOCC1 Y9093 [0,0,0,1,0,0|3,0,0]=4 62 B9R1.6 N=C(N)N1CCCCC1 2921AE [0,0,0,1,0,0|3,0,0]=4 63 B9R1.6 NC(=O)C1CC=CCC1 4123AE [0,0,0,1,0,0|1,0,2]=4 64 B9R1.6 NC(=O)C1CCCOC1 6295AD [0,0,0,1,0,0|2,0,0]=3 65 B9R1.6 NC(=O)C1CNCCN1 V7931 [0,0,0,1,0,0|3,0,0]=4 66 B9R1.6 NC(=O)C1CNCCO1 Z7921 [0,0,0,1,0,0|3,0,0]=4 67 B9R1.6 NC(=O)N1CCNCC1 4107AE [0,0,0,1,0,0|3,0,0]=4 68 B9R1.6 NC(=O)N1CCNCC1 5669AE [0,0,0,1,0,0|3,0,0]=4 69 B9R1.6 O=C(Cl)N1CCCCC1 0709AQ [0,0,0,1,0,0|2,0,0]=3 70 B9R1.6 O=C(O)C1=CCCNC1 8985AB [0,0,0,1,0,0|1,0,2]=4 71 B9R1.6 O=C(O)C1=CCCOC1 X8488 [0,0,0,1,0,0|1,0,2]=4 72 B9R1.6 O=C(O)C1CCCSC1 W3499 [0,0,0,1,0,0|1,0,0]=2 73 B9R1.6 O=C(O)C1CNCCO1 W9016 [0,0,0,1,0,0|2,0,0]=3 74 B9R1.6 O=C(O)C1COCCN1 W7764 [0,0,0,1,0,0|2,0,0]=3 75 B9R1.6 O=C(O)C1SCCCS1 D188 [0,0,0,1,0,0|2,0,0]=3 76 B9R1.6 O=C(O)[C@@H]1COCCN1 X8814 [0,0,0,1,0,0|2,0,0]=3 77 B9R1.6 O=C(O)[C@@H]1CSCCN1 9064AH [0,0,0,1,0,0|2,0,0]=3 78 B9R1.6 O=C(O)[C@H]1CNCCO1 3774AA [0,0,0,1,0,0|2,0,0]=3 79 B9R1.6 OB(O)C1CCOCC1 1535AA [0,0,0,1,0,0|2,0,1]=4 80 B9R1.35 CC(=O)N1CC[C@@H](N)C1 Z2268 [0,0,0,1,0,0|3,0,0]=4 81 B9R1.35 CC1=NOC(C(=O)O)C1 4083AE [0,0,0,1,0,0|2,0,1]=4 82 B9R1.35 CC1NC(C(=O)O)CS1 2967AE [0,0,0,1,0,0|2,0,0]=3 83 B9R1.35 NC(=O)C1CC(F)CN1 5868AC [0,0,0,1,0,0|3,0,0]=4 84 B9R1.35 NC(=O)[C@@H]1C[C@@H](F)CN1 3174AC [0,0,0,1,0,0|3,0,0]=4 85 B9R1.35 NC(=O)[C@@H]1C[C@@H](O)CN1 4732AJ [0,0,0,1,0,0|3,0,0]=4 86 B9R1.35 NC(=O)[C@@H]1C[C@H](F)CN1 1629AC [0,0,0,1,0,0|3,0,0]=4 87 B9R1.35 NC(=O)[C@@H]1C[C@H](F)CN1 5891AB [0,0,0,1,0,0|3,0,0]=4 88 B9R1.35 NC1CNC(C(=O)O)C1 Y7723 [0,0,0,1,0,0|2,0,0]=3 89 B9R1.35 N[C@@H]1C=C[C@H](C(=O)O)C1 Y6706 [0,0,0,1,0,0|1,0,2]=4 90 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 Y6730 [0,0,0,1,0,0|1,0,0]=2 91 B9R1.35 N[C@@H]1CN[C@@H](C(=O)O)C1 W4980 [0,0,0,1,0,0|2,0,0]=3 92 B9R1.35 N[C@H]1C=C[C@@H](C(=O)O)C1 0632AA [0,0,0,1,0,0|1,0,2]=4 93 B9R1.35 O=C(O)C1CCC(O)C1 0331AA [0,0,0,1,0,0|1,0,0]=2 94 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 9051AB [0,0,0,1,0,0|2,0,0]=3 95 B9R1.35 O=C(O)[C@H]1C[C@@H](F)CN1 W9014 [0,0,0,1,0,0|2,0,0]=3 96 B9R1.35 O=C1CNC(C(=O)O)C1 0294AB [0,0,0,1,0,0|2,0,1]=4 97 B9R1.69 CC1CCC(C)C(=O)C1 5379AL [0,0,0,1,0,0|1,0,0]=2 98 B9R1.69 CC1CCC(C)C(C)C1 4409AL [0,0,0,1,0,0|2,0,1]=4 99 B9R1.95 COC1CC(C(=O)O)C1 6586AB [0,0,0,1,0,0|1,0,0]=2 100 B9R1.95 O=C(O)C1CC(CBr)C1 X8764 [0,0,0,1,0,0|1,0,0]=2 101 B9R1.110 CC(=O)N(C)C1CNC1 Y4759 [0,0,0,1,0,0|3,0,0]=4 102 B9R1.110 NC(C(=O)O)C1CCC1 X5232 [0,0,0,1,0,0|1,0,0]=2 103 B9R1.110 N[C@@H](C(=O)O)C1CCC1 X5301 [0,0,0,1,0,0|1,0,0]=2 104 B9R1.163 CC1(C(=O)O)CCCC1 4855AE [0,0,0,1,0,0|0,0,0]=1 105 B9R1.163 CC1(C(=O)O)CCCN1 6631AH [0,0,0,1,0,0|1,0,0]=2 106 B9R1.163 CC1(C(=O)O)CCCO1 9217AB [0,0,0,1,0,0|1,0,0]=2 107 B9R1.163 NC1(C(=O)O)CCNC1 Z2697 [0,0,0,1,0,0|2,0,0]=3 108 B9R1.163 NC1(C(=O)O)CCSC1 2158AJ [0,0,0,1,0,0|2,0,0]=3 109 B9R1.163 NC1(C(=O)O)CCSC1 5291AH [0,0,0,1,0,0|2,0,0]=3 110 B9R1.163 O=C(O)C1(O)CCCC1 Z4267 [0,0,0,1,0,0|1,0,0]=2 111 B9R0.4 COCCN(C)CC(=O)O 3127AF [0,0,0,0,0,1|2,0,0]=3 112 B9R0.4 COCCN(C)CC(=O)O 9512AL [0,0,0,0,0,1|2,0,0]=3 113 B6R0.1 C=CC(C)CCC 6092AL [2,0,0,0,0,0|1,0,0]=3 114 B6R0.1 CCCC(C)CC 7810AF [2,0,0,0,0,0|1,0,1]=4 115 B6R0.1 CCCC(C)CO 1207AA [2,0,0,0,0,0|0,0,1]=3 116 B6R0.1 C[C@H](CO)CCO 1249AL [2,0,0,0,0,0|1,0,1]=4 117 B6R0.4 C=C(C)CCCC 5699AL [2,0,0,0,0,0|0,0,1]=3 118 B6R0.4 C=C(C)CCCO 2774AL [2,0,0,0,0,0|1,0,1]=4 119 B6R0.4 CC(C)CCCCl 6814AE [2,0,0,0,0,0|1,0,1]=4 120 B6R0.4 CC(C)CCCN 7575AF [2,0,0,0,0,0|1,0,1]=4 121 B6R0.4 CCCCC(=O)Br 7391AF [2,0,0,0,0,0|1,0,0]=3 122 B6R0.4 CCCCC(C)C 5734AL [2,0,0,0,0,0|0,0,1]=3 123 B6R0.4 CCCCC(C)Cl 5578AL [2,0,0,0,0,0|1,0,0]=3 124 B6R0.4 CCCCC(C)O 9467AB [2,0,0,0,0,0|0,0,0]=2 125 B6R0.4 CCCNC(C)C 7560AH [2,0,0,0,0,0|1,0,1]=4 126 B6R0.4 CCCSC(C)C 8111AL [2,0,0,0,0,0|1,0,1]=4 127 B6R0.4 CCNCC(=O)O X5133 [2,0,0,0,0,0|1,0,0]=3 128 B6R0.4 CCNCC(C)O 2626AE [2,0,0,0,0,0|1,0,0]=3 129 B6R0.4 CNCCC(=O)O 5026AF [2,0,0,0,0,0|1,0,0]=3 130 B6R0.4 COCCC(C)=O B939 [2,0,0,0,0,0|1,0,1]=4 131 B6R0.4 CSSCC(=O)O KMA0116 [2,0,0,0,0,0|2,0,0]=4 132 B6R0.4 NC(=O)CCCCl Y1653 [2,0,0,0,0,0|2,0,0]=4 133 B6R0.4 O=C(O)CCCS 7264AF [2,0,0,0,0,0|1,0,0]=3 134 B6R0.6 C=CCSCCC R577 [2,0,0,0,0,0|2,0,0]=4 135 B6R0.6 CCCCCC#N 8042AL [2,0,0,0,0,0|1,0,1]=4 136 B6R0.6 CCCCCSC 7567AF [2,0,0,0,0,0|2,0,0]=4 137 B6R0.6 CCNCCCO 5711AJ [2,0,0,0,0,0|1,0,1]=4 138 B6R0.6 CCOCCCO D587 [2,0,0,0,0,0|1,0,1]=4 139 B6R0.6 C\C=C/CCCC 7422AL [2,0,0,0,0,0|1,0,1]=4 140 B6R0.6 C\C=C\CCCC 7780AF [2,0,0,0,0,0|1,0,1]=4 141 B6R0.6 O=CCCCCO Z3600 [2,0,0,0,0,0|1,0,0]=3 142 B6R0.3 CC(CO)C(=O)O Z7389 [2,0,0,0,0,0|1,0,0]=3 143 B6R0.3 CCC(C)C(C)=O U423 [2,0,0,0,0,0|1,0,0]=3 144 B6R0.3 CCC(O)C(=O)[O-] 8154AL [2,0,0,0,0,0|1,0,1]=4 145 B6R0.3 CCC(S)C(C)=O 9471AJ [2,0,0,0,0,0|2,0,0]=4 146 B6R0.3 CC[C@@H](C)C(N)=O 5046AB [2,0,0,0,0,0|1,0,0]=3 147 B6R0.3 CC[C@@H](Cl)C(=O)O 4152AL [2,0,0,0,0,0|1,0,0]=3 148 B6R0.3 CC[C@H](Cl)C(=O)O Z6043 [2,0,0,0,0,0|1,0,0]=3 149 B6R0.3 CSC(C)C(=O)O 6148AE [2,0,0,0,0,0|1,0,0]=3 150 B6R0.3 CSC(C)C(C)=O 6125AL [2,0,0,0,0,0|2,0,0]=4 151 B6R0.3 C[C@@H](CN)C(=O)O 5650AC [2,0,0,0,0,0|1,0,0]=3 152 B6R0.3 C[C@@H](CN)C(=O)O 5862AB [2,0,0,0,0,0|1,0,0]=3 153 B6R0.3 C\C=C(\C)C(=O)O 8382AJ [2,0,0,0,0,0|0,0,2]=4 154 B6R0.3 NCC(N)C(=O)O 3293AL [2,0,0,0,0,0|2,0,0]=4 155 B6R0.3 NC[C@H](N)C(=O)O 0179AB [2,0,0,0,0,0|2,0,0]=4 156 B6R0.3 N[C@H](CCl)C(=O)O 5119AB [2,0,0,0,0,0|2,0,0]=4 157 B6R0.3 O=C(O)C(Cl)CO 0455AQ [2,0,0,0,0,0|2,0,0]=4 158 B6R0.3 O=C(O)C(O)CCl 2399AL [2,0,0,0,0,0|2,0,0]=4 159 B8R0.6 NCCCC[C@H](N)CO 1979AA [1,1,0,0,0,0|1,0,1]=4 160 B8R0.9 CCC(C)CCC(C)O 6794AL [1,1,0,0,0,0|1,0,1]=4 161 B8R0.9 C\C(CCC(C)C)=N/O 6797AL [1,1,0,0,0,0|1,0,1]=4 162 B8R0.11 CCCCC(CO)CO 2148AL [1,1,0,0,0,0|0,0,1]=3 163 B8R0.19 CCC(C)CC(O)CC 7996AF [1,1,0,0,0,0|1,0,1]=4 164 B8R0.25 CC(C)(C=O)CCC#N 9204AB [1,1,0,0,0,0|1,0,1]=4 165 B8R0.25 CCCCC(C)(C)CC 5875AL [1,1,0,0,0,0|1,0,1]=4 166 B8R0.25 CCCCC(C)(O)CC 6103AL [1,1,0,0,0,0|1,0,1]=4 167 B8R0.5 C#CC[C@@H](N)CC(=O)O 3836AB [1,1,0,0,0,0|0,0,2]=4 168 B8R0.5 C#CC[C@H](N)CC(=O)O 3835AB [1,1,0,0,0,0|0,0,2]=4 169 B8R0.5 C=C(C)CC(C)CCC 5311AL [1,1,0,0,0,0|2,0,0]=4 170 B8R0.5 C=CC[C@@H](N)CC(=O)O Z5979 [1,1,0,0,0,0|0,0,2]=4 171 B8R0.5 C=CC[C@H](N)CC(=O)O Z5808 [1,1,0,0,0,0|0,0,2]=4 172 B8R0.7 C=C(C)CCCCCCl 6449AD [1,1,0,0,0,0|2,0,0]=4 173 B8R0.7 C=CCOCCC(=O)O 7716AD [1,1,0,0,0,0|0,0,2]=4 174 B8R0.7 CCCCCC[C@H](C)O D263 [1,1,0,0,0,0|1,0,1]=4 175 B8R0.7 CCCCCO[N+](=O)[O-] 8770AL [1,1,0,0,0,0|1,0,1]=4 176 B8R0.7 CCCC\C=C\C(=O)O 6400AD [1,1,0,0,0,0|0,0,1]=3 177 B8R0.7 NC(=O)CCCCCO 3555AJ [1,1,0,0,0,0|1,0,0]=3 178 B8R0.7 NCCCNCC(=O)O 8332AL [1,1,0,0,0,0|1,0,0]=3 179 B8R0.7 O=C([O-])CCCCCO 0762AP [1,1,0,0,0,0|0,0,1]=3 180 B8R0.7 OB(O)CCCCCBr Z8265 [1,1,0,0,0,0|1,0,1]=4 181 B8R0.21 COCCCS(=O)(=O)O 5909AJ [1,1,0,0,0,0|2,0,0]=4 182 B8R0.28 C=C(C)CCCC(=O)O X3484 [1,1,0,0,0,0|0,0,1]=3 183 B8R0.28 CC(=O)CCOC(C)C 6552AL [1,1,0,0,0,0|2,0,0]=4 184 B8R0.28 CC(=O)SCCC(=O)O 0636AQ [1,1,0,0,0,0|1,0,1]=4 185 B8R0.28 CC(C)NCCC(N)=O 6779AD [1,1,0,0,0,0|2,0,0]=4 186 B8R0.28 NC(=O)CCCC(=O)O 8447AD [1,1,0,0,0,0|1,0,1]=4 187 B8R0.2 CCC(C)C(=O)C(=O)O 6099AL [1,1,0,0,0,0|1,0,1]=4 188 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O E693 [1,1,0,0,0,0|1,0,0]=3 189 B8R0.2 CC[C@H](C)[C@H](Cl)C(=O)O 9212AJ [1,1,0,0,0,0|1,0,0]=3 190 B8R0.2 COC(=O)C(C)C(=O)O 2314AJ [1,1,0,0,0,0|1,0,1]=4 191 B8R0.12 C=CC[C@@](C)(N)C(=O)O Q366 [1,1,0,0,0,0|0,0,2]=4 192 B8R0.12 CCOC(C)(C)C(=O)O 7496AA [1,1,0,0,0,0|1,0,0]=3 193 B8R0.12 COCC(C)(C)C(=O)O 9837AB [1,1,0,0,0,0|1,0,0]=3 194 B8R0.14 CCCC(C)C(C)(C)O 7989AF [1,1,0,0,0,0|1,0,1]=4 195 B8R0.15 CCCC(OC)C(=O)O 5382AE [1,1,0,0,0,0|0,0,0]=2 196 B8R0.15 CCC[C@@H](NC)C(=O)O 0554AP [1,1,0,0,0,0|0,0,0]=2 197 B8R0.23 CC(=O)C(N)CC(C)C 5475AB [1,1,0,0,0,0|2,0,0]=4 198 B8R0.23 CC(C)CC(=O)C(=O)O 2659AC [1,1,0,0,0,0|1,0,1]=4 199 B10R0.6 CCCCCC(N)CC(=O)O 1081AA [0,1,0,0,0,1|1,0,0]=3 200 B10R0.6 NCCCC[C@H](N)CC(=O)O Z5705 [0,1,0,0,0,1|1,0,0]=3 201 B10R0.18 CCCCC(=O)CC(=O)OC 5240AB [0,1,0,0,0,1|1,0,1]=4 202 B10R0.13 CC(C)C[C@H](N)C(O)C(=O)O KMA0162 [0,2,0,0,0,0|1,0,0]=3 203 B10R0.13 CC(C)C[C@H](N)[C@H](O)C(=O)O 1407AC [0,2,0,0,0,0|1,0,0]=3 204 B10R0.82 COC(=O)CC[C@H](N)C(=O)O 3262AB [0,2,0,0,0,0|1,0,1]=4 205 B10R0.82 NCC(O)CCC(N)C(=O)O 4932AH [0,2,0,0,0,0|1,0,0]=3 206 B10R0.84 CN[C@@H](CCC(=O)O)C(=O)O X5352 [0,2,0,0,0,0|1,0,1]=4 207 B10R0.92 CS(=O)(=O)CC[C@@H](N)C(=O)O 3451AL [0,2,0,0,0,0|2,0,0]=4 208 B10R0.92 NC(CCC(F)(F)F)C(=O)O 5758AH [0,2,0,0,0,0|2,0,0]=4 209 B10R0.93 CC(C)C(=O)NC(C)C(=O)O 4945AD [0,2,0,0,0,0|1,0,1]=4 210 B10R0.93 CC(CN(C)C(C)C)C(=O)O 8836AC [0,2,0,0,0,0|1,0,0]=3 211 B10R0.93 C[C@H](N)C(=O)N[C@H](C)C(=O)O 7042AH [0,2,0,0,0,0|1,0,1]=4 212 B10R0.93 C[C@H](NC(=O)[C@@H](C)N)C(=O)O 7092AH [0,2,0,0,0,0|1,0,1]=4 213 B10R0.19 CCCCN(C)C(=O)CCN 2233AD [0,2,0,0,0,0|2,0,0]=4 214 B10R0.19 CCCCN(C)C(=O)CNC 2298AD [0,2,0,0,0,0|2,0,0]=4 215 B10R0.83 COC(=O)[C@H](N)CCCCN 9780AA [0,2,0,0,0,0|1,0,0]=3 216 B10R0.85 CCCCC(CC)C(=O)NN 2963AE [0,2,0,0,0,0|1,0,0]=3 217 B10R0.124 COC(=O)C(C)(C)CCCCl 1410AC [0,2,0,0,0,0|1,0,0]=3 218 B10R0.86 CN[C@@H](CCCCN)C(=O)O Z5963 [0,2,0,0,0,0|0,0,0]=2 219 B10R0.47 COC(=O)CC(C)(C)C(=O)O 7752AB [0,2,0,0,0,0|1,0,1]=4 220 B10R0.42 CC(C)(NCCC#N)C(=O)O 5191AJ [0,2,0,0,0,0|1,0,1]=4 221 B10R0.75 CNCCCC[C@H](N)C(=O)O Z5971 [0,2,0,0,0,0|1,0,0]=3 222 B8R1.1 CN1CC[C@@H](CO)C1 3687AA [1,0,0,1,0,0|1,0,1]=4 223 B8R1.1 CN1CC[C@H](CO)C1 9151AH [1,0,0,1,0,0|1,0,1]=4 224 B8R1.1 OCC1CCC(O)C1 W1894 [1,0,0,1,0,0|1,0,1]=4 225 B8R1.2 C=CC1CCCCC1 Z3463 [1,0,0,1,0,0|1,0,0]=3 226 B8R1.2 CCC1CCCCC1 8567AA [1,0,0,1,0,0|1,0,1]=4 227 B8R1.2 COC1CCCCC1 7515AL [1,0,0,1,0,0|2,0,0]=4 228 B8R1.2 O=CC1CCCCN1 X3865 [1,0,0,1,0,0|1,0,0]=3 229 B8R1.2 O=CC1CCCNC1 4398AB [1,0,0,1,0,0|1,0,0]=3 230 B8R1.2 O=CC1CCNCC1 0201AP [1,0,0,1,0,0|1,0,0]=3 231 B8R1.2 OCC1CCCNC1 W3153 [1,0,0,1,0,0|1,0,1]=4 232 B8R1.2 OCC1CCNCC1 J70061 [1,0,0,1,0,0|1,0,1]=4 233 B8R1.2 OCC1CCSCC1 Y6767 [1,0,0,1,0,0|1,0,1]=4 234 B8R1.3 CC1CCC(C)CC1 7953AF [1,0,0,1,0,0|1,0,1]=4 235 B8R1.3 C[C@H]1CC[C@@H](C)CC1 7416AL [1,0,0,1,0,0|1,0,1]=4 236 B8R1.3 C[C@H]1CC[C@H](C)CC1 3891AL [1,0,0,1,0,0|1,0,1]=4 237 B8R1.5 CC1CCCCC1C 4454AL [1,0,0,1,0,0|1,0,1]=4 238 B8R1.5 CC1CCCOC1=O 3885AL [1,0,0,1,0,0|1,0,0]=3 239 B8R1.5 CC1CCNCC1O 2895AJ [1,0,0,1,0,0|1,0,1]=4 240 B8R1.5 CC1CNCCC1O 3930AB [1,0,0,1,0,0|1,0,1]=4 241 B8R1.5 CC1COCCC1=O Z3955 [1,0,0,1,0,0|1,0,0]=3 242 B8R1.5 CC1COCCC1O 2365AJ [1,0,0,1,0,0|1,0,1]=4 243 B8R1.5 CC1OCCNC1=O 5590AJ [1,0,0,1,0,0|2,0,0]=4 244 B8R1.5 CN1CCNCC1=O 1842AA [1,0,0,1,0,0|2,0,0]=4 245 B8R1.5 CN1CCNCC1=O 7723AJ [1,0,0,1,0,0|2,0,0]=4 246 B8R1.5 C[C@@H]1CCCC[C@@H]1O 7425AL [1,0,0,1,0,0|0,0,1]=3 247 B8R1.5 C[C@@H]1CCNC[C@H]1O 4686AJ [1,0,0,1,0,0|1,0,1]=4 248 B8R1.5 C[C@@H]1NCCNC1=O 2295AC [1,0,0,1,0,0|2,0,0]=4 249 B8R1.5 C[C@H]1CCCC[C@@H]1C 9189AL [1,0,0,1,0,0|1,0,1]=4 250 B8R1.5 C[C@H]1CCCC[C@H]1C 7956AF [1,0,0,1,0,0|1,0,1]=4 251 B8R1.5 C[C@H]1NCCNC1=O 5574AC [1,0,0,1,0,0|2,0,0]=4 252 B8R1.5 NC1CCCCC1=O 0726AC [1,0,0,1,0,0|1,0,0]=3 253 B8R1.5 NN1CCCCC1=O 3513AB [1,0,0,1,0,0|2,0,0]=4 254 B8R1.5 NN1CCCCC1=O Z4590 [1,0,0,1,0,0|2,0,0]=4 255 B8R1.5 N[C@@H]1CCCNC1=O 4620AC [1,0,0,1,0,0|2,0,0]=4 256 B8R1.5 N[C@H]1CCCC[C@H]1O 0705AC [1,0,0,1,0,0|1,0,1]=4 257 B8R1.5 N[C@H]1CCCNC1=O 4844AJ [1,0,0,1,0,0|2,0,0]=4 258 B8R1.5 O=C1CCCCC1Cl 7902AJ [1,0,0,1,0,0|1,0,0]=3 259 B8R1.5 O=C1NCCCC1Br 4146AB [1,0,0,1,0,0|2,0,0]=4 260 B8R1.5 O[C@@H]1CCCC[C@H]1F 0067AC [1,0,0,1,0,0|1,0,1]=4 261 B8R1.50 CC1CCN(C)C1=O Y8129 [1,0,0,1,0,0|1,0,0]=3 262 B8R1.50 CN1CCC(Br)C1=O 0624AE [1,0,0,1,0,0|2,0,0]=4 263 B8R1.50 CN1CCC(N)C1=O 0714AD [1,0,0,1,0,0|2,0,0]=4 264 B8R1.50 CN1CCC(N)C1=O 2120AJ [1,0,0,1,0,0|2,0,0]=4 265 B8R1.52 NC1(CO)CCCC1 0753AA [1,0,0,1,0,0|1,0,1]=4 266 B8R1.4 CC1CC(=O)CCN1 1072AC [1,0,0,1,0,0|2,0,0]=4 267 B8R1.4 CC1CC(=O)CCN1 6568AA [1,0,0,1,0,0|2,0,0]=4 268 B8R1.4 CC1CNCC(=O)N1 3610AJ [1,0,0,1,0,0|2,0,0]=4 269 B8R1.4 CC1COCC(=O)N1 V7159 [1,0,0,1,0,0|2,0,0]=4 270 B8R1.4 CN1CCCC(=O)C1 9933AH [1,0,0,1,0,0|2,0,0]=4 271 B8R1.4 CN1CCCC(=O)C1 9934AH [1,0,0,1,0,0|2,0,0]=4 272 B8R1.4 CN1CCCC(=O)C1 W6919 [1,0,0,1,0,0|2,0,0]=4 273 B8R1.4 C[C@@H]1CNCC(=O)N1 9027AH [1,0,0,1,0,0|2,0,0]=4 274 B8R1.7 CC(=O)C1CCNC1 Y4441 [1,0,0,1,0,0|2,0,0]=4 275 B8R1.7 NC(=O)C1CCCN1 Y8548 [1,0,0,1,0,0|2,0,0]=4 276 B8R1.7 NC(=O)C1CCNC1 Z4774 [1,0,0,1,0,0|2,0,0]=4 277 B8R1.7 NC(=O)[C@@H]1CCNC1 Z9357 [1,0,0,1,0,0|2,0,0]=4 278 B8R1.7 NC(=O)[C@H]1CCNC1 4853AJ [1,0,0,1,0,0|2,0,0]=4 279 B8R1.7 NC(=S)C1CCCC1 Y9069 [1,0,0,1,0,0|1,1,0]=4 280 B8R1.7 O=C(O)[C@@H]1CCCN1 2188AC [1,0,0,1,0,0|1,0,0]=3 281 B8R1.7 O=C(O)[C@H]1CCOC1 Z1983 [1,0,0,1,0,0|1,0,0]=3 282 B8R1.34 CC(=O)CC1COC1 0990AD [1,0,0,1,0,0|2,0,0]=4 283 B8R1.34 O=C(O)C=C1CCC1 1680AJ [1,0,0,1,0,0|0,0,2]=4 284 B8R1.34 O=C(O)CC1COC1 3631AD [1,0,0,1,0,0|1,0,0]=3 285 B8R1.35 O=C(O)C#CC1CC1 0479AQ [1,0,0,1,0,0|0,0,2]=4 286 B8R1.35 O=C(O)CNC1CC1 0701AA [1,0,0,1,0,0|1,0,0]=3 287 B8R1.23 NC1CC(C(=O)O)C1 2935AC [1,0,0,1,0,0|1,0,0]=3 288 B8R1.23 NC1CC(C(=O)O)C1 3481AA [1,0,0,1,0,0|1,0,0]=3 289 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 W8206 [1,0,0,1,0,0|1,0,0]=3 290 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 2936AC [1,0,0,1,0,0|1,0,0]=3 291 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 W8205 [1,0,0,1,0,0|1,0,0]=3 292 B8R1.23 O=C(O)C1CC(Cl)C1 4357AB [1,0,0,1,0,0|1,0,0]=3 293 B8R1.23 O=C(O)C1CC(F)C1 2538AD [1,0,0,1,0,0|1,0,0]=3 294 B8R1.54 O=C(O)C(=O)C1CC1 Z4141 [1,0,0,1,0,0|1,0,1]=4 295 B10R1.18 CC(=O)CC1CCCCC1 7815AC [0,0,0,1,0,1|1,0,0]=3 296 B10R1.18 CC(=O)CN1CCCCC1 7980AE [0,0,0,1,0,1|2,0,0]=4 297 B10R1.18 CC(=O)OC1CCNCC1 6299AC [0,0,0,1,0,1|2,0,0]=4 298 B10R1.18 N=C(N)NC1CCCCC1 8359AD [0,0,0,1,0,1|2,0,0]=4 299 B10R1.18 NC(=O)CC1CCCCC1 7534AA [0,0,0,1,0,1|1,0,0]=3 300 B10R1.18 NC(=O)CC1CCNCC1 3210AA [0,0,0,1,0,1|2,0,0]=4 301 B10R1.18 O=C(O)C=C1CCCCC1 7798AA [0,0,0,1,0,1|0,0,1]=3 302 B10R1.18 O=C(O)CC1CCCCN1 0118AB [0,0,0,1,0,1|1,0,0]=3 303 B10R1.18 O=C(O)CC1CCCCN1 0196AB [0,0,0,1,0,1|1,0,0]=3 304 B10R1.18 O=C(O)CC1CCCOC1 7652AC [0,0,0,1,0,1|1,0,0]=3 305 B10R1.18 O=C(O)CC1COCCN1 Z5224 [0,0,0,1,0,1|2,0,0]=4 306 B10R1.18 O=C(O)CN1CCSCC1 6480AE [0,0,0,1,0,1|2,0,0]=4 307 B10R1.54 CN1CCC(CC(=O)O)C1 0543AA [0,0,0,1,0,1|1,0,0]=3 308 B10R1.54 NC1CCN(CC(=O)O)C1 1087AJ [0,0,0,1,0,1|2,0,0]=4 309 B10R1.54 NC1CCN(CC(=O)O)C1 4267AH [0,0,0,1,0,1|2,0,0]=4 310 B10R1.54 O=C(O)CC1CCC(=O)C1 3341AB [0,0,0,1,0,1|1,0,1]=4 311 B10R1.54 O=C(O)CN1CCC(O)C1 Z4509 [0,0,0,1,0,1|2,0,0]=4 312 B10R1.54 O=C(O)C[C@@H]1C[C@@H](O)CN1 3939AB [0,0,0,1,0,1|2,0,0]=4 313 B10R1.61 CC1=C(C(=O)O)CCCO1 5226AE [0,0,0,1,0,1|1,0,1]=4 314 B10R1.61 CC1CNCCC1C(=O)O X3814 [0,0,0,1,0,1|1,0,0]=3 315 B10R1.61 CN1CCNCC1C(=O)O 9918AH [0,0,0,1,0,1|2,0,0]=4 316 B10R1.61 CN1CCNCC1C(=O)O X9604 [0,0,0,1,0,1|2,0,0]=4 317 B10R1.61 CN1CCOCC1C(=O)O 2892AJ [0,0,0,1,0,1|2,0,0]=4 318 B10R1.61 CN1CCOCC1C(=O)O 4547AA [0,0,0,1,0,1|2,0,0]=4 319 B10R1.61 NC1CCCCC1C(=O)O 1986AL [0,0,0,1,0,1|1,0,0]=3 320 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O 1047AL [0,0,0,1,0,1|1,0,0]=3 321 B10R1.61 O=C(O)C1CCCCC1O W7331 [0,0,0,1,0,1|1,0,0]=3 322 B10R1.28 O=S(=O)([O-])C1CCCCC1 0256AQ [0,1,0,1,0,0|1,0,1]=4 323 B10R1.300 O=C1NCCCCC1(Br)Br 5821AE [0,1,0,1,0,0|2,0,0]=4 324 B10R1.23 CC(=O)N(C)C1CCNC1 2260AL [0,1,0,1,0,0|2,0,0]=4 325 B10R1.23 CC(C(=O)O)N1CCCC1 2951AD [0,1,0,1,0,0|0,0,0]=2 326 B10R1.23 O=C(O)C(=O)N1CCCC1 4293AE [0,1,0,1,0,0|1,0,1]=4 327 B10R1.59 CN1C[C@@H](O)C[C@H]1C(=O)O Z5940 [0,1,0,1,0,0|2,0,0]=4 328 B10R1.13 C=C1CCC(C(=O)O)CC1 3628AF [0,1,0,1,0,0|0,0,1]=3 329 B10R1.13 CC(=O)C1CC=C(C)CC1 Z4935 [0,1,0,1,0,0|1,0,1]=4 330 B10R1.13 CC(=O)C1CCN(C)CC1 0602AB [0,1,0,1,0,0|2,0,0]=4 331 B10R1.13 O=C(O)C1CC=C(Br)CC1 V8103 [0,1,0,1,0,0|0,0,2]=4 332 B10R1.349 O=C(O)C1CC(C(=O)O)C1 W7423 [0,1,0,1,0,0|1,0,1]=4 333 B10R1.359 CC1(C)CNC(C(=O)O)C1 2560AJ [0,1,0,1,0,0|1,0,0]=3 334 B10R1.359 CC1(C)N[C@H](C(=O)O)CS1 0313AC [0,1,0,1,0,0|2,0,0]=4 335 B10R1.359 CC1(C)OCC(C(=O)O)O1 Z4898 [0,1,0,1,0,0|2,0,0]=4 336 B10R1.359 O=C(O)[C@@H]1CC(F)(F)CN1 7451AB [0,1,0,1,0,0|2,0,0]=4 337 B10R1.359 O=C(O)[C@@H]1CC(F)(F)CN1 X9985 [0,1,0,1,0,0|2,0,0]=4 338 B10R1.14 COC(=O)C1CCC(N)C1 5832AA [0,1,0,1,0,0|1,0,0]=3 339 B10R1.14 COC(=O)[C@@H]1C[C@@H](F)CN1 1092AL [0,1,0,1,0,0|2,0,0]=4 340 B10R1.15 CNC(=O)C1CCCCN1 2898AD [0,1,0,1,0,0|2,0,0]=4 341 B10R1.15 CNC(=O)C1CCCNC1 4418AJ [0,1,0,1,0,0|2,0,0]=4 342 B10R1.15 CNC(=O)C1CCOCC1 4663AJ [0,1,0,1,0,0|2,0,0]=4 343 B10R1.15 COC(=O)C1CC=CCC1 9933AB [0,1,0,1,0,0|0,0,2]=4 344 B10R1.15 COC(=O)C1CNCCN1 W5066 [0,1,0,1,0,0|2,0,0]=4 345 B10R1.15 COC(=O)C1CNCCO1 Y1211 [0,1,0,1,0,0|2,0,0]=4 346 B10R1.15 COC(=O)[C@@H]1COCCN1 0961AA [0,1,0,1,0,0|2,0,0]=4 347 B10R1.15 COC(=O)[C@H]1CNCCN1 W7554 [0,1,0,1,0,0|2,0,0]=4 348 B10R1.15 COC(=O)[C@H]1COCCN1 3118AA [0,1,0,1,0,0|2,0,0]=4 349 B10R1.15 NNC(=O)C1CCNCC1 3179AE [0,1,0,1,0,0|2,0,0]=4 350 B10R1.19 N#CC1CCCCCC1=O 1846AJ [0,1,0,1,0,0|1,0,1]=4 351 B10R1.169 COC(=O)C1CC(CN)C1 6991AJ [0,1,0,1,0,0|1,0,0]=3 352 B10R1.176 CN1CCC(CN)CC1=O 2737AD [0,1,0,1,0,0|2,0,0]=4 353 B10R1.411 COC(=O)C1(C)CCCN1 4594AE [0,1,0,1,0,0|1,0,0]=3 354 B10R1.411 COC(=O)C1(C)CCCO1 6969AJ [0,1,0,1,0,0|1,0,0]=3 355 B10R1.31 CCC1=NOC(C(=O)O)C1 4065AE [0,1,0,1,0,0|1,0,1]=4 356 B10R1.437 COCCC1(C(=O)O)CC1 4907AJ [0,1,0,1,0,0|1,0,0]=3 357 B10R1.477 N#CC1(C(=O)O)CCCC1 5240AE [0,1,0,1,0,0|0,0,1]=3 358 B10R1.477 NCC1(C(=O)O)CCCC1 0418AQ [0,1,0,1,0,0|0,0,0]=2 359 B10R1.113 CC(=O)C1CCCN(C)C1 9371AH [0,1,0,1,0,0|1,0,0]=3 360 B10R1.113 CC(=O)N1CCCC(O)C1 2724AE [0,1,0,1,0,0|2,0,0]=4 361 B10R1.113 CN1CCC=C(C(=O)O)C1 6770AB [0,1,0,1,0,0|0,0,2]=4 362 B10R1.113 CN1CCNC(C(=O)O)C1 5645AH [0,1,0,1,0,0|1,0,0]=3 363 B10R1.113 CN1CCOC(C(=O)O)C1 0383AF [0,1,0,1,0,0|1,0,0]=3 364 B10R1.113 CN1CCOC(C(=O)O)C1 5644AH [0,1,0,1,0,0|1,0,0]=3 365 B10R1.113 C[C@@H]1CCN[C@@H](C(=O)[O-])C1 V0414 [0,1,0,1,0,0|0,0,1]=3 366 B10R1.113 N[C@@H]1CCC[C@@H](C(=O)O)C1 0960AF [0,1,0,1,0,0|0,0,0]=2 367 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 8462AA [0,1,0,1,0,0|0,0,0]=2 368 B10R1.113 O=C(O)C1CNCC(O)C1 2797AA [0,1,0,1,0,0|1,0,0]=3 369 B10R1.113 O=C(O)C1CNCC(O)C1 3230AJ [0,1,0,1,0,0|1,0,0]=3 370 B10R1.204 N[C@@H](CC1CCC1)C(=O)O 3488AA [0,1,0,1,0,0|1,0,0]=3 371 B10R1.204 N[C@H](CC1CCC1)C(=O)O 9009AA [0,1,0,1,0,0|1,0,0]=3 372 B10R1.262 CCOC1CC(=O)C1(C)C 7813AD [0,1,0,1,0,0|2,0,0]=4 373 B10R1.363 CC(=O)C1(C)CCCCC1 4878AJ [0,1,0,1,0,0|1,0,0]=3 374 B10R1.363 CC(=O)C1(O)CCCCC1 7940AF [0,1,0,1,0,0|1,0,0]=3 375 B10R1.363 CC1(C(=O)O)CCNCC1 8253AA [0,1,0,1,0,0|0,0,0]=2 376 B10R1.363 CC1(C(N)=O)CCNCC1 3250AD [0,1,0,1,0,0|1,0,0]=3 377 B10R1.363 NC1(C(=O)O)CCNCC1 9421AE [0,1,0,1,0,0|1,0,0]=3 378 B10R1.363 O=C(O)C1(F)CCOCC1 2475AA [0,1,0,1,0,0|1,0,0]=3 379 B10R1.363 O=C(O)C1(O)CCNCC1 6886AB [0,1,0,1,0,0|1,0,0]=3 380 B10R2.62 C12CCC(CC1)C(=O)C2 3163AL [0,0,0,2,0,0|1,0,0]=3 381 B10R2.62 O=C1NC2CCC1CC2 3767AB [0,0,0,2,0,0|1,0,0]=3 382 B10R2.357 [C@H]12C[C@H]1C[C@@H](C(N)=O)N2 Z3471 [0,0,0,2,0,0|2,0,0]=4 383 B10R2.638 O=C(O)C1CC12CCC2 3827AL [0,0,0,2,0,0|0,0,0]=2 384 B10R0.78 COCCN(C)CCC(=O)O 3095AF [0,0,0,0,0,2|2,0,0]=4