0 B7R0.4 C=CCNCC(=O)O Y8695 [0,0,0,0,0,0|1,0,3]=4 1 B7R0.4 CC(=O)CCCCCl D718 [0,0,0,0,0,0|2,0,2]=4 2 B7R0.4 CCCCSC(C)=O 3195AL [0,0,0,0,0,0|2,0,1]=3 3 B7R0.4 CCCOCC(=O)O 5344AE [0,0,0,0,0,0|1,0,1]=2 4 B7R0.4 CNCCCC(=O)O 2115AA [0,0,0,0,0,0|1,0,2]=3 5 B7R0.4 COCCCC(=O)O 2917AB [0,0,0,0,0,0|1,0,2]=3 6 B7R0.4 N#CCCCC(=O)O W5958 [0,0,0,0,0,0|1,0,3]=4 7 B7R0.4 NC(=O)CSCCO 6778AD [0,0,0,0,0,0|3,0,1]=4 8 B7R0.4 NCCCCC(=O)O 9495AB [0,0,0,0,0,0|1,0,2]=3 9 B7R0.4 O=C(O)COCCCl Y5074 [0,0,0,0,0,0|2,0,1]=3 10 B6R0.4 C=C\C=C\C(=O)O Z4964 [1,0,0,0,0,0|0,0,2]=3 11 B6R0.4 CCC#CC(C)=O 6057AL [1,0,0,0,0,0|1,0,2]=4 12 B6R0.4 CCCCC(=N)N 1867AA [1,0,0,0,0,0|2,0,1]=4 13 B6R0.4 CCCCC(=N)N 9567AA [1,0,0,0,0,0|2,0,1]=4 14 B6R0.4 CCCNC(N)=O P685 [1,0,0,0,0,0|2,0,0]=3 15 B6R0.4 CCCOC(N)=O 9471AB [1,0,0,0,0,0|2,0,0]=3 16 B6R0.4 CCCSC(C)=O R568 [1,0,0,0,0,0|2,0,0]=3 17 B6R0.4 CCNCC(=O)O X5133 [1,0,0,0,0,0|1,0,1]=3 18 B6R0.4 CSCCC(C)=O L760 [1,0,0,0,0,0|2,0,1]=4 19 B6R0.4 N#CCCC(=O)O W3483 [1,0,0,0,0,0|1,0,2]=4 20 B6R0.4 NC(=O)CCCCl Y1653 [1,0,0,0,0,0|2,0,1]=4 21 B6R0.4 NCCCC(N)=O 5556AA [1,0,0,0,0,0|2,0,1]=4 22 B6R0.6 CCCC#CCO V0624 [1,0,0,0,0,0|0,0,3]=4 23 B6R0.6 CCCNCCO 8316AA [1,0,0,0,0,0|1,0,2]=4 24 B6R0.6 C\C=C/CCCO 7448AL [1,0,0,0,0,0|2,0,1]=4 25 B6R0.6 C\C=C\C=C\CO X5865 [1,0,0,0,0,0|0,0,3]=4 26 B8R0.6 CCCCCC(=O)CC 6144AL [0,1,0,0,0,0|1,0,2]=4 27 B8R0.6 CCCCCC(=O)NN 8224AD [0,1,0,0,0,0|1,0,2]=4 28 B8R0.6 CCCCNC(=O)CC 8516AL [0,1,0,0,0,0|2,0,1]=4 29 B8R0.6 CCC\C=C\C(=O)OC 6957AJ [0,1,0,0,0,0|0,0,0]=1 30 B8R0.6 COC(=O)CCCCN 3063AB [0,1,0,0,0,0|1,0,2]=4 31 B8R0.6 COC(=O)COCCCl 2910AC [0,1,0,0,0,0|2,0,1]=4 32 B8R0.7 CC(=O)NCCCCN 8335AL [0,1,0,0,0,0|2,0,1]=4 33 B8R0.7 CC(=O)OCCCCBr 7492AF [0,1,0,0,0,0|2,0,1]=4 34 B8R0.7 CCCCCCC(=O)[O-] 7832AL [0,1,0,0,0,0|0,0,3]=4 35 B8R0.7 CCCC\C=C\C(C)=O 6146AL [0,1,0,0,0,0|1,0,0]=2 36 B8R0.7 NC(=O)CCCCCBr 8542AB [0,1,0,0,0,0|1,0,2]=4 37 B8R0.7 NCCCCCC(=O)O 5982AB [0,1,0,0,0,0|0,0,2]=3 38 B8R0.7 NCCCNCC(=O)O 8332AL [0,1,0,0,0,0|1,0,1]=3 39 B8R0.7 O=C(Cl)CCCCCBr 5957AH [0,1,0,0,0,0|1,0,2]=4 40 B8R0.8 CCCCC(C)C(C)=O 1634AB [0,1,0,0,0,0|1,0,2]=4 41 B8R0.8 CCCCC(O)C(=O)O 3592AH [0,1,0,0,0,0|0,0,2]=3 42 B8R0.8 CCCC[C@H](N)C(N)=O 7287AH [0,1,0,0,0,0|1,0,2]=4 43 B8R0.8 CCCOC(=O)C(C)O 8130AL [0,1,0,0,0,0|2,0,1]=4 44 B8R0.8 CCC\C=C(/C)C(=O)O 5705AL [0,1,0,0,0,0|0,0,0]=1 45 B8R0.8 NCCC[C@H](N)C(=O)O 8160AL [0,1,0,0,0,0|1,0,2]=4 46 B8R0.9 CCC(=O)CCC(=O)O 8820AC [0,1,0,0,0,0|0,0,3]=4 47 B8R0.9 CCS(=O)CCC(=O)O 4032AD [0,1,0,0,0,0|1,0,2]=4 48 B8R0.28 CC(=O)CCCC(C)C 5697AC [0,1,0,0,0,0|1,0,2]=4 49 B8R0.28 CC(=O)\C=C\C=C(C)C 8087AA [0,1,0,0,0,0|1,0,2]=4 50 B8R0.28 CC(=O)\C=C\CC(C)C 2964AL [0,1,0,0,0,0|1,0,0]=2 51 B8R0.28 O=C(O)\C=C\CC(=O)O C638 [0,1,0,0,0,0|1,0,1]=3 52 B8R1.1 CC1=CC=C(CO)O1 Y8951 [0,0,0,1,0,0|2,0,1]=4 53 B8R1.1 O=C1CCC(CBr)O1 3312AH [0,0,0,1,0,0|1,0,2]=4 54 B8R1.1 O=C1CCC(CO)O1 X3393 [0,0,0,1,0,0|1,0,2]=4 55 B8R1.1 O=C1CC[C@@H](CO)O1 N841 [0,0,0,1,0,0|1,0,2]=4 56 B8R1.1 O=C1CC[C@H](CO)O1 B249 [0,0,0,1,0,0|1,0,2]=4 57 B8R1.1 O=C1NCC(CCl)O1 2907AL [0,0,0,1,0,0|2,0,1]=4 58 B8R1.1 O=C1NC[C@@H](CCl)O1 8648AA [0,0,0,1,0,0|2,0,1]=4 59 B8R1.4 CC1=NC=CC(O)=N1 W7788 [0,0,0,1,0,0|2,0,1]=4 60 B8R1.7 N1N=CC(C(=O)O)=N1 Y1161 [0,0,0,1,0,0|3,0,0]=4 61 B8R1.7 NC(=O)C1CCCO1 5362AC [0,0,0,1,0,0|2,0,1]=4 62 B8R1.7 O=C(Cl)N1CCCC1 0711AQ [0,0,0,1,0,0|2,0,1]=4 63 B8R1.7 O=C(O)C1=CC=CN1 Q622 [0,0,0,1,0,0|1,0,2]=4 64 B8R1.7 O=C(O)C1=CC=NS1 0659AA [0,0,0,1,0,0|2,0,1]=4 65 B8R1.7 O=C(O)C1=CN=CO1 X4661 [0,0,0,1,0,0|2,0,1]=4 66 B8R1.7 O=C(O)C1=CSN=C1 Z5157 [0,0,0,1,0,0|2,0,1]=4 67 B8R1.7 O=C(O)C1CCNC1 W9737 [0,0,0,1,0,0|1,0,2]=4 68 B8R1.7 O=C(O)C1NCCS1 W7647 [0,0,0,1,0,0|2,0,1]=4 69 B8R1.7 O=C(O)[C@@H]1C=CCN1 W4258 [0,0,0,1,0,0|1,0,2]=4 70 B8R1.7 O=C(O)[C@@H]1CCNC1 1252AC [0,0,0,1,0,0|1,0,2]=4 71 B8R1.7 O=C(O)[C@H]1CCNC1 1251AC [0,0,0,1,0,0|1,0,2]=4 72 B8R1.7 O=C(O)[C@H]1CCNC1 X9011 [0,0,0,1,0,0|1,0,2]=4 73 B8R1.7 O=C(O)[C@H]1CSCN1 6272AB [0,0,0,1,0,0|2,0,1]=4 74 B8R1.22 O=C1C=CCCCC1 X8995 [0,0,0,1,0,0|1,0,0]=2 75 B8R1.22 O=C1CCOCCO1 4654AL [0,0,0,1,0,0|1,0,2]=4 76 B8R1.34 O=C(O)CC1CCC1 W7672 [0,0,0,1,0,0|0,0,2]=3 77 B8R1.34 O=C(O)CC1COC1 3631AD [0,0,0,1,0,0|1,0,2]=4 78 B8R1.35 O=C(O)CCC1CC1 8214AB [0,0,0,1,0,0|0,0,2]=3 79 B5R0.1 C=C(C)CCC 5700AL [2,0,0,0,0,0|2,0,0]=4 80 B5R0.1 CNCC(=O)O 9764AB [2,0,0,0,0,0|1,0,0]=3 81 B5R0.1 COCC(C)=O U020 [2,0,0,0,0,0|2,0,0]=4 82 B5R0.1 CSCC(C)=O Y1373 [2,0,0,0,0,0|2,0,0]=4 83 B5R0.1 NCCC(N)=O 6432AB [2,0,0,0,0,0|2,0,0]=4 84 B5R0.1 NCCS(=O)O 0301AQ [2,0,0,0,0,0|2,0,0]=4 85 B5R0.1 O=C(O)CCI 7031AF [2,0,0,0,0,0|1,0,0]=3 86 B5R0.2 C=CCCCN 2628AB [2,0,0,0,0,0|1,0,1]=4 87 B5R0.2 CCCOC=O 8880AL [2,0,0,0,0,0|1,0,0]=3 88 B5R0.2 CC\C=C/CC 7431AL [2,0,0,0,0,0|1,0,1]=4 89 B5R0.2 CC\C=C/CO 3214AL [2,0,0,0,0,0|0,0,1]=3 90 B5R0.2 CC\C=C\CC 3771AD [2,0,0,0,0,0|1,0,1]=4 91 B5R0.2 C\C=C\C=C\C 5333AL [2,0,0,0,0,0|1,0,1]=4 92 B7R0.2 CCC(C)OC(C)=O 7525AF [1,1,0,0,0,0|2,0,0]=4 93 B7R0.2 CCC(N)CC(=O)O W4035 [1,1,0,0,0,0|0,0,1]=3 94 B7R0.2 CCN(C)CC(=O)O 9048AE [1,1,0,0,0,0|1,0,1]=4 95 B7R0.2 CC[C@H](C)CC(=O)O 4847AJ [1,1,0,0,0,0|0,0,1]=3 96 B7R0.2 NC[C@H](O)CC(=O)O Z5048 [1,1,0,0,0,0|1,0,1]=4 97 B7R0.2 N[C@@H](CO)CC(=O)O W3594 [1,1,0,0,0,0|1,0,1]=4 98 B7R0.2 N[C@H](CO)CC(=O)O Z5676 [1,1,0,0,0,0|1,0,1]=4 99 B7R0.3 CCCCC(=O)CC 7786AF [1,1,0,0,0,0|1,0,1]=4 100 B7R0.3 CCCCC(=O)NN X5269 [1,1,0,0,0,0|1,0,1]=4 101 B7R0.3 CCCNC(=O)CN V6930 [1,1,0,0,0,0|2,0,0]=4 102 B7R0.3 CCCOC(=O)CBr U694 [1,1,0,0,0,0|2,0,0]=4 103 B7R0.3 CCCOC(=O)CC 7524AF [1,1,0,0,0,0|2,0,0]=4 104 B7R0.3 COC(=O)CCCN 3563AL [1,1,0,0,0,0|1,0,1]=4 105 B7R0.5 CCC[C@H](N)C(N)=O Z6420 [1,1,0,0,0,0|1,0,1]=4 106 B7R0.5 COCC(N)C(=O)O Z1926 [1,1,0,0,0,0|1,0,1]=4 107 B7R0.5 CSC[C@H](N)C(=O)O V1222 [1,1,0,0,0,0|1,0,1]=4 108 B7R0.5 NC(CCS)C(=O)O D600 [1,1,0,0,0,0|1,0,1]=4 109 B7R0.5 NCCC(N)C(=O)O X3169 [1,1,0,0,0,0|1,0,1]=4 110 B7R0.5 NCC[C@H](N)C(=O)O 0470AP [1,1,0,0,0,0|1,0,1]=4 111 B7R0.5 NCC[C@H](N)C(=O)O 7090AH [1,1,0,0,0,0|1,0,1]=4 112 B7R0.6 C=C(C)CCC(=O)O 0114AA [1,1,0,0,0,0|0,0,2]=4 113 B7R0.6 CC(=O)\C=C\N(C)C 3259AA [1,1,0,0,0,0|2,0,0]=4 114 B7R0.6 CC(C)OCC(=O)O 0549AE [1,1,0,0,0,0|1,0,1]=4 115 B7R0.6 CC(Cl)CCC(=O)Cl 6146AJ [1,1,0,0,0,0|1,0,1]=4 116 B7R0.6 C[S+](C)CCC(=O)O 4030AL [1,1,0,0,0,0|1,0,1]=4 117 B7R0.6 O=C(O)\C=C\C(=O)O X2063 [1,1,0,0,0,0|1,0,1]=4 118 B7R0.6 O=C([O-])\C=C/C(=O)O 8175AL [1,1,0,0,0,0|1,0,1]=4 119 B7R0.1 CCCCCOC=O 7518AF [1,1,0,0,0,0|0,0,2]=4 120 B7R0.1 CCC\C=C/CCC 7451AL [1,1,0,0,0,0|1,0,1]=4 121 B7R0.1 CC\C=C/CCCO 7447AL [1,1,0,0,0,0|1,0,1]=4 122 B7R0.1 CC\C=C\C=C\CO 3900AB [1,1,0,0,0,0|0,0,1]=3 123 B7R0.7 CCOC(=O)\C=C\I V5131 [1,1,0,0,0,0|2,0,0]=4 124 B7R0.7 CCOC(=O)\C=C\[O-] 8763AB [1,1,0,0,0,0|1,0,1]=4 125 B9R0.4 CSCC[C@H](N)CC(=O)O Z5847 [0,2,0,0,0,0|0,0,2]=4 126 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O Z5767 [0,2,0,0,0,0|0,0,2]=4 127 B9R0.53 CC(C)C[C@H](N)CC(=O)O X3295 [0,2,0,0,0,0|0,0,2]=4 128 B9R0.58 CCCC(C)(O)CC(=O)O 8750AB [0,2,0,0,0,0|0,0,2]=4 129 B9R0.1 CCC(=O)CCCC(=O)O 1673AE [0,2,0,0,0,0|0,0,2]=4 130 B9R0.5 C=COC(=O)CCCCC 7945AF [0,2,0,0,0,0|0,0,2]=4 131 B9R0.8 CCCCC(N)C(=O)OC V7712 [0,2,0,0,0,0|0,0,2]=4 132 B9R0.46 COC(=O)CCCCCO 6266AB [0,2,0,0,0,0|0,0,2]=4 133 B9R0.47 CCCCCC(N)C(=O)O 2079AA [0,2,0,0,0,0|0,0,2]=4 134 B9R0.47 CCCCC[C@@H](N)C(=O)O 6195AB [0,2,0,0,0,0|0,0,2]=4 135 B9R0.47 CCCCOC(=O)C(N)=O 8726AL [0,2,0,0,0,0|1,0,1]=4 136 B9R0.47 CCSCC[C@@H](N)C(=O)O C618 [0,2,0,0,0,0|0,0,2]=4 137 B9R0.47 NCCCCC(N)C(=O)O 8604AJ [0,2,0,0,0,0|0,0,2]=4 138 B9R0.47 NCCCC[C@H](N)C(=O)O 9230AB [0,2,0,0,0,0|0,0,2]=4 139 B9R0.2 CCCCCCC[13C](=O)O 8956AJ [0,2,0,0,0,0|0,0,2]=4 140 B9R0.2 COCCOCCC(=O)O X3859 [0,2,0,0,0,0|0,0,2]=4 141 B9R0.2 NCCCCCCC(=O)O X4768 [0,2,0,0,0,0|0,0,2]=4 142 B9R0.48 CCOC(=O)\C=C\C(C)=O 1161AL [0,2,0,0,0,0|1,0,1]=4 143 B9R0.55 CC(C)CCCCC(=O)O 5715AC [0,2,0,0,0,0|0,0,2]=4 144 B9R0.55 CN(C)CCCCC(=O)O 6277AJ [0,2,0,0,0,0|0,0,2]=4 145 B9R0.42 CCC(C)NC(=O)C(=O)O 9984AE [0,2,0,0,0,0|1,0,0]=3 146 B9R0.51 CCCCC(F)(F)C(=O)O 9180AA [0,2,0,0,0,0|0,0,2]=4 147 B9R0.56 CC(C)(C)CNCC(=O)O Y6728 [0,2,0,0,0,0|1,0,1]=4 148 B9R0.56 CC(C)(C)CNCC(=O)O Y6733 [0,2,0,0,0,0|1,0,1]=4 149 B7R1.2 CC1CCC(=O)N1 1659AA [1,0,0,1,0,0|1,0,1]=4 150 B7R1.2 CC1COC(=O)N1 5156AD [1,0,0,1,0,0|2,0,0]=4 151 B7R1.2 CN1C=CC(=O)N1 7479AB [1,0,0,1,0,0|2,0,0]=4 152 B7R1.2 C[C@@H]1COC(=O)N1 5441AB [1,0,0,1,0,0|2,0,0]=4 153 B7R1.2 C[C@H]1COC(=O)N1 5440AB [1,0,0,1,0,0|2,0,0]=4 154 B7R1.2 O=C1OCC(Cl)O1 E933 [1,0,0,1,0,0|2,0,0]=4 155 B7R1.3 O=C1C=CC=CO1 X6757 [1,0,0,1,0,0|0,0,2]=4 156 B7R1.3 O=C1COCCO1 3182AB [1,0,0,1,0,0|1,0,1]=4 157 B7R1.18 CC(=O)C1CCC1 9513AD [1,0,0,1,0,0|1,0,1]=4 158 B7R1.18 O=C(O)C1CCN1 X2014 [1,0,0,1,0,0|1,0,1]=4 159 B7R1.18 O=C(O)C1COC1 X3417 [1,0,0,1,0,0|1,0,1]=4 160 B7R1.18 O=C(O)[C@@H]1CCN1 D297 [1,0,0,1,0,0|1,0,1]=4 161 B7R1.18 O=C(O)[C@H]1CCN1 Z4994 [1,0,0,1,0,0|1,0,1]=4 162 B7R1.1 CCC1=CC=CN1 Y7642 [1,0,0,1,0,0|1,0,1]=4 163 B7R1.1 CCN1C=CC=C1 6758AE [1,0,0,1,0,0|2,0,0]=4 164 B7R1.1 N#CC1=CCCC1 3193AB [1,0,0,1,0,0|1,0,1]=4 165 B7R1.1 O=CC1=CCCC1 Z4945 [1,0,0,1,0,0|0,0,0]=2 166 B7R1.1 SCC1=CC=CO1 Z5487 [1,0,0,1,0,0|1,0,1]=4 167 B7R1.4 CC1CCNC1=O Y8455 [1,0,0,1,0,0|1,0,1]=4 168 B7R1.4 CC1CCOC1=O W3659 [1,0,0,1,0,0|1,0,1]=4 169 B7R1.4 CC1CSCC1=O 6972AB [1,0,0,1,0,0|1,0,1]=4 170 B7R1.4 CN1N=CC=C1O 3947AB [1,0,0,1,0,0|2,0,0]=4 171 B7R1.4 CN1NC=CC1=O 3785AB [1,0,0,1,0,0|2,0,0]=4 172 B9R1.7 CCCC1=NN=C(N)O1 8345AE [0,1,0,1,0,0|2,0,0]=4 173 B9R1.7 CCOC1C=CC(=O)O1 2768AB [0,1,0,1,0,0|0,0,0]=2 174 B9R1.7 CNCC1=CC=C(C)O1 7273AA [0,1,0,1,0,0|1,0,1]=4 175 B9R1.13 O=C(O)CC1CCCC1 2161AA [0,1,0,1,0,0|0,0,2]=4 176 B9R1.13 O=C(O)CC1CCCN1 X4013 [0,1,0,1,0,0|0,0,2]=4 177 B9R1.13 O=C(O)CC1CCOC1 W3025 [0,1,0,1,0,0|0,0,2]=4 178 B9R1.13 O=C(O)CN1CCCC1 0183AC [0,1,0,1,0,0|0,0,2]=4 179 B9R1.13 O=C(O)CN1CCCC1 Y8903 [0,1,0,1,0,0|0,0,2]=4 180 B9R1.13 O=C(O)C[C@@H]1CCCN1 M616 [0,1,0,1,0,0|0,0,2]=4 181 B9R1.13 O=C(O)C[C@H]1CCCN1 6072AB [0,1,0,1,0,0|0,0,2]=4 182 B9R1.13 O=C(O)C[C@H]1CCCN1 9054AH [0,1,0,1,0,0|0,0,2]=4 183 B9R1.22 CCC1NC(=O)NC1=O 9537AJ [0,1,0,1,0,0|2,0,0]=4 184 B9R1.34 CC1CC(=O)OC(=O)C1 6113AL [0,1,0,1,0,0|2,0,0]=4 185 B9R1.41 CC(=O)N1CCCC1=O 4742AL [0,1,0,1,0,0|2,0,0]=4 186 B9R1.41 CC1=C(C(=O)O)C=CN1 4732AB [0,1,0,1,0,0|0,0,2]=4 187 B9R1.41 CC1=C(C(=O)O)C=CO1 Y9842 [0,1,0,1,0,0|0,0,2]=4 188 B9R1.41 CC1=C(C(=O)O)C=CS1 W4117 [0,1,0,1,0,0|0,0,2]=4 189 B9R1.41 CC1=C(C(=O)O)N=CO1 X8680 [0,1,0,1,0,0|1,0,1]=4 190 B9R1.41 CC1=C(C(=O)O)N=CS1 X8003 [0,1,0,1,0,0|1,0,1]=4 191 B9R1.41 CC1=CSC=C1C(=O)O Z5123 [0,1,0,1,0,0|0,0,2]=4 192 B9R1.41 CC1=NSC=C1C(=O)O Y7681 [0,1,0,1,0,0|1,0,1]=4 193 B9R1.41 CN1CCC[C@@H]1C(=O)O V7386 [0,1,0,1,0,0|0,0,2]=4 194 B9R1.41 CN1CCC[C@H]1C(=O)O 1661AL [0,1,0,1,0,0|0,0,2]=4 195 B9R1.41 NC1CCCC1C(=O)O 3422AA [0,1,0,1,0,0|0,0,2]=4 196 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O 9632AA [0,1,0,1,0,0|0,0,2]=4 197 B9R1.41 O=C(O)[C@H]1CCCN1O X3039 [0,1,0,1,0,0|1,0,1]=4 198 B9R1.48 O=C1CCCCC(=O)C1 X9379 [0,1,0,1,0,0|1,0,1]=4 199 B9R1.48 O=C1CCCCC(=O)O1 0435AB [0,1,0,1,0,0|2,0,0]=4 200 B9R1.137 C\C(=C\C(=O)O)C1CC1 1947AC [0,1,0,1,0,0|0,0,0]=2 201 B9R1.137 NC(CC(=O)O)C1CC1 5786AJ [0,1,0,1,0,0|0,0,2]=4 202 B9R1.11 COC(=O)C1CCCN1 Z5141 [0,1,0,1,0,0|1,0,1]=4 203 B9R1.6 CC(=O)C1=CCCCC1 7650AJ [0,1,0,1,0,0|1,0,0]=3 204 B9R1.6 O=C(O)C1=CCCCO1 6288AJ [0,1,0,1,0,0|0,0,0]=2 205 B9R1.6 O=C(O)C1=CCCNC1 8985AB [0,1,0,1,0,0|0,0,0]=2 206 B9R1.6 O=C(O)C1=COCCC1 2840AE [0,1,0,1,0,0|0,0,0]=2 207 B9R1.6 O=C(O)C1CCCCO1 Y9295 [0,1,0,1,0,0|0,0,2]=4 208 B9R1.6 O=C(O)C1CCCOC1 W8958 [0,1,0,1,0,0|0,0,2]=4 209 B9R1.6 O=C(O)C1CCNCC1 W7261 [0,1,0,1,0,0|0,0,2]=4 210 B9R1.6 O=C(O)C1CCSCC1 W9239 [0,1,0,1,0,0|0,0,2]=4 211 B9R1.6 O=C(O)C1CNCCO1 W5246 [0,1,0,1,0,0|1,0,1]=4 212 B9R1.6 O=C(O)C1COCCN1 Z5972 [0,1,0,1,0,0|1,0,1]=4 213 B9R1.6 O=C(O)C1COCCO1 4768AC [0,1,0,1,0,0|1,0,1]=4 214 B9R1.6 O=C(O)C1CSCCN1 W4390 [0,1,0,1,0,0|1,0,1]=4 215 B9R1.6 O=C(O)C1CSCCN1 Z5417 [0,1,0,1,0,0|1,0,1]=4 216 B9R1.6 O=C(O)N1CCNCC1 E072 [0,1,0,1,0,0|1,0,1]=4 217 B9R1.6 O=C(O)[C@@H]1CCCCN1 W4435 [0,1,0,1,0,0|0,0,2]=4 218 B9R1.6 O=C(O)[C@@H]1CCCNC1 W9119 [0,1,0,1,0,0|0,0,2]=4 219 B9R1.6 O=C(O)[C@@H]1COCCN1 Z3946 [0,1,0,1,0,0|1,0,1]=4 220 B9R1.6 O=C(O)[C@H]1CC=CCC1 O030 [0,1,0,1,0,0|0,0,2]=4 221 B9R1.6 O=C(O)[C@H]1CCCNC1 3193AC [0,1,0,1,0,0|0,0,2]=4 222 B9R1.6 O=C(O)[C@H]1CCCNC1 C833 [0,1,0,1,0,0|0,0,2]=4 223 B9R1.6 O=C(O)[C@H]1COCCN1 X8815 [0,1,0,1,0,0|1,0,1]=4 224 B9R1.85 O=C(O)CSCC1CC1 4499AF [0,1,0,1,0,0|0,0,2]=4 225 B9R1.35 CC1=CC(C(=O)O)=CO1 Y8297 [0,1,0,1,0,0|1,0,1]=4 226 B9R1.35 CC1=CC(C(=O)O)=CS1 Y8110 [0,1,0,1,0,0|1,0,1]=4 227 B9R1.35 CC1=NC(C(=O)O)=CN1 W3181 [0,1,0,1,0,0|1,0,1]=4 228 B9R1.35 CC1=NC(C(=O)O)=CO1 W4681 [0,1,0,1,0,0|1,0,1]=4 229 B9R1.35 CC1=NC(C(=O)O)=CS1 W5694 [0,1,0,1,0,0|1,0,1]=4 230 B9R1.35 CC1=NC=C(C(=O)O)O1 Y5240 [0,1,0,1,0,0|1,0,1]=4 231 B9R1.35 CN1C=CC(C(=O)O)=C1 W5804 [0,1,0,1,0,0|1,0,1]=4 232 B9R1.35 NC1CCC(C(=O)O)C1 9225AF [0,1,0,1,0,0|0,0,2]=4 233 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 Z7280 [0,1,0,1,0,0|0,0,2]=4 234 B9R1.35 N[C@@H]1CN[C@H](C(=O)O)C1 8248AA [0,1,0,1,0,0|1,0,1]=4 235 B9R1.35 N[C@H]1C=C[C@@H](C(=O)O)C1 X5640 [0,1,0,1,0,0|0,0,2]=4 236 B9R1.35 N[C@H]1C=C[C@@H](C(=O)O)C1 Y6712 [0,1,0,1,0,0|0,0,2]=4 237 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 Y6731 [0,1,0,1,0,0|0,0,2]=4 238 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 S949 [0,1,0,1,0,0|1,0,1]=4 239 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 S923 [0,1,0,1,0,0|1,0,1]=4 240 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 Z5573 [0,1,0,1,0,0|1,0,1]=4 241 B9R1.35 O=C(O)[C@H]1C[C@@H](F)CN1 W9014 [0,1,0,1,0,0|1,0,1]=4 242 B9R1.112 NC(CC1CC1)C(=O)O 7919AA [0,1,0,1,0,0|0,0,2]=4 243 B9R1.163 CC1(C(=O)O)CCCO1 9217AB [0,1,0,1,0,0|1,0,1]=4 244 B9R1.163 C[C@@]1(C(=O)O)CCCN1 W6243 [0,1,0,1,0,0|1,0,1]=4 245 B9R1.163 C[C@@]1(C(=O)O)CCCN1 X5473 [0,1,0,1,0,0|1,0,1]=4