0 B7R0.3 C=C(CC)CCCC 5608AL [0,0,0,0,0,0|3,0,0]=3 1 B7R0.3 CCC(=O)NCCN 3366AF [0,0,0,0,0,0|4,0,0]=4 2 B7R0.3 CCCCC(C)CC 6251AE [0,0,0,0,0,0|3,0,1]=4 3 B7R0.3 CCCCC(O)CC 8762AB [0,0,0,0,0,0|2,0,2]=4 4 B7R0.3 CCCNC(=O)CN V6930 [0,0,0,0,0,0|4,0,0]=4 5 B7R0.3 CCC\C=C(/C)CC 6104AL [0,0,0,0,0,0|3,0,1]=4 6 B7R0.3 CCNCC(=O)OC 2143AA [0,0,0,0,0,0|2,0,0]=2 7 B7R0.3 CCNCC(=O)OC 2988AC [0,0,0,0,0,0|2,0,0]=2 8 B7R0.3 CCOCC(=O)NN 2388AE [0,0,0,0,0,0|4,0,0]=4 9 B7R0.3 CNCCC(=O)NC 5845AE [0,0,0,0,0,0|2,0,0]=2 10 B7R0.3 COC(=N)CCCCl 2164AC [0,0,0,0,0,0|3,0,0]=3 11 B7R0.3 COC(=O)C#CCO 3414AB [0,0,0,0,0,0|2,0,2]=4 12 B7R0.3 COC(=O)CCC=O W3030 [0,0,0,0,0,0|2,0,0]=2 13 B7R0.3 COC(=O)CCCS X9990 [0,0,0,0,0,0|2,0,0]=2 14 B7R0.3 COCC\C(N)=N/O 7855AE [0,0,0,0,0,0|3,1,0]=4 15 B7R0.3 C\C=C\CC(=O)OC 9761AJ [0,0,0,0,0,0|1,0,1]=2 16 B6R0.1 C#CCC(=O)OC 3698AB [1,0,0,0,0,0|0,0,2]=3 17 B6R0.1 CC#CC(=O)OC X7106 [1,0,0,0,0,0|0,0,2]=3 18 B6R0.1 CCC(=O)CSC K829 [1,0,0,0,0,0|1,0,0]=2 19 B6R0.1 CCCC(=O)SC 8847AJ [1,0,0,0,0,0|0,1,0]=2 20 B6R0.1 CCCC(Br)CC 3975AB [1,0,0,0,0,0|2,0,1]=4 21 B6R0.1 CCCC(C)CC 7810AF [1,0,0,0,0,0|2,0,1]=4 22 B6R0.1 CCCC(O)CC 7557AF [1,0,0,0,0,0|1,0,2]=4 23 B6R0.1 CCC\C(N)=N\O 8990AD [1,0,0,0,0,0|3,0,0]=4 24 B6R0.1 CCOC(=N)CC 8352AC [1,0,0,0,0,0|3,0,0]=4 25 B6R0.1 CNC(=O)CCN 4757AE [1,0,0,0,0,0|2,0,0]=3 26 B6R0.1 CNC(=O)CCO 8079AE [1,0,0,0,0,0|1,1,0]=3 27 B6R0.1 CNCC(C)OC 1691AF [1,0,0,0,0,0|2,0,1]=4 28 B6R0.1 COC(=O)CCCl X6204 [1,0,0,0,0,0|1,0,0]=2 29 B6R0.1 COC(=O)\C=C\N 1217AQ [1,0,0,0,0,0|1,0,2]=4 30 B6R0.1 COCC(=O)OC J70196 [1,0,0,0,0,0|0,1,0]=2 31 B6R0.4 C#CCCC(=O)[O-] 4056AH [1,0,0,0,0,0|1,0,2]=4 32 B6R0.4 C#CCNC(C)=O 3665AL [1,0,0,0,0,0|2,0,1]=4 33 B6R0.4 C=C(C)CCCC 5699AL [1,0,0,0,0,0|2,0,0]=3 34 B6R0.4 C=C(C)CCCO 2774AL [1,0,0,0,0,0|3,0,0]=4 35 B6R0.4 C=CCCC(=C)C 5696AL [1,0,0,0,0,0|2,0,1]=4 36 B6R0.4 CC(=O)NCCCl W8163 [1,0,0,0,0,0|3,0,0]=4 37 B6R0.4 CC(=O)OCCCl 7237AF [1,0,0,0,0,0|3,0,0]=4 38 B6R0.4 CC(=O)SCC#N 6370AE [1,0,0,0,0,0|3,0,0]=4 39 B6R0.4 CC(=O)SCCN 5884AD [1,0,0,0,0,0|3,0,0]=4 40 B6R0.4 CCCC=C(C)C 5704AL [1,0,0,0,0,0|2,0,1]=4 41 B6R0.4 CCCCC(=O)Br 7391AF [1,0,0,0,0,0|2,0,0]=3 42 B6R0.4 CCCCC(C)C 5734AL [1,0,0,0,0,0|2,0,1]=4 43 B6R0.4 CCCCC(C)Cl 5578AL [1,0,0,0,0,0|2,0,1]=4 44 B6R0.4 CCCCC(C)O 9467AB [1,0,0,0,0,0|1,0,2]=4 45 B6R0.4 CCNCC(=O)O X5133 [1,0,0,0,0,0|2,0,0]=3 46 B6R0.4 CNCCC(=O)O 5026AF [1,0,0,0,0,0|1,0,0]=2 47 B6R0.4 CNCCN(C)C J70105 [1,0,0,0,0,0|3,0,0]=4 48 B6R0.4 COCCC(C)=O B939 [1,0,0,0,0,0|0,1,0]=2 49 B6R0.4 CSSCC(=O)O KMA0116 [1,0,0,0,0,0|1,0,0]=2 50 B6R0.4 NC(=O)CCCCl Y1653 [1,0,0,0,0,0|3,0,0]=4 51 B6R0.4 O=C(O)CCCS 7264AF [1,0,0,0,0,0|2,0,0]=3 52 B6R0.6 C=CCC\C=C\C 4658AL [1,0,0,0,0,0|2,0,1]=4 53 B6R0.6 CC#CCCCC 5638AL [1,0,0,0,0,0|2,0,1]=4 54 B6R0.6 CCCCCSC 7567AF [1,0,0,0,0,0|1,0,1]=3 55 B6R0.6 CCCCOCC 7302AL [1,0,0,0,0,0|3,0,0]=4 56 B6R0.6 CCOCCNC 5385AD [1,0,0,0,0,0|3,0,0]=4 57 B6R0.6 CC\C=C\CCC 9219AL [1,0,0,0,0,0|2,0,1]=4 58 B6R0.6 COCCCCN AMTGC536 [1,0,0,0,0,0|2,0,1]=4 59 B6R0.6 C\C=C/CCCC 7422AL [1,0,0,0,0,0|2,0,0]=3 60 B6R0.6 C\C=C/CCCCl 7455AL [1,0,0,0,0,0|3,0,0]=4 61 B6R0.6 C\C=C\CCCC 7780AF [1,0,0,0,0,0|2,0,0]=3 62 B6R0.6 C\C=C\SCCC U946 [1,0,0,0,0,0|3,0,0]=4 63 B6R0.6 [C-]#[N+]CCCOC Y2595 [1,0,0,0,0,0|1,0,2]=4 64 B8R0.1 CCCCC(=O)CCC 8758AB [0,1,0,0,0,0|2,0,0]=3 65 B8R0.1 CCCNC(=O)CCN 2039AD [0,1,0,0,0,0|3,0,0]=4 66 B8R0.1 CCCNC(=O)CNC 2661AF [0,1,0,0,0,0|3,0,0]=4 67 B8R0.1 CCCNC(=O)CNC 8106AC [0,1,0,0,0,0|3,0,0]=4 68 B8R0.1 COCCC(=O)CC#N 3252AJ [0,1,0,0,0,0|1,1,1]=4 69 B8R0.1 C\C=C\C(=O)CCCC 5771AL [0,1,0,0,0,0|2,0,0]=3 70 B8R0.3 C#CC[C@H](N)C(=O)OC 8457AA [0,1,0,0,0,0|1,0,1]=3 71 B8R0.3 C=CCC(N)C(=O)OC 4218AJ [0,1,0,0,0,0|1,0,1]=3 72 B8R0.3 C=CC[C@@H](N)C(=O)OC 1043AB [0,1,0,0,0,0|1,0,1]=3 73 B8R0.3 CCCC(N)C(=O)NC 1487AF [0,1,0,0,0,0|2,0,0]=3 74 B8R0.3 CNCC(C)C(=O)OC Z2743 [0,1,0,0,0,0|1,0,0]=2 75 B8R0.3 COC(=O)[C@H](C)N=C=S 8737AD [0,1,0,0,0,0|3,0,0]=4 76 B8R0.3 COC(=O)[C@H](C)NC=O 7006AH [0,1,0,0,0,0|3,0,0]=4 77 B8R0.6 C=CCCCC(=O)OC 6778AL [0,1,0,0,0,0|1,0,1]=3 78 B8R0.6 CCCCNC(=O)CN 7049AD [0,1,0,0,0,0|3,0,0]=4 79 B8R0.6 CCCCOC(=O)CF 1832AE [0,1,0,0,0,0|3,0,0]=4 80 B8R0.6 CCCCOC(=O)CN 3583AD [0,1,0,0,0,0|3,0,0]=4 81 B8R0.6 CCOCCC(=O)NN 2006AE [0,1,0,0,0,0|2,1,0]=4 82 B8R0.6 COC(=O)CCCCN 9801AB [0,1,0,0,0,0|1,0,0]=2 83 B8R0.6 COC(=O)CCCCO Z9406 [0,1,0,0,0,0|1,0,0]=2 84 B8R0.6 COCCNC(=O)CN 2350AD [0,1,0,0,0,0|2,1,0]=4 85 B8R0.8 CCCCC(=O)C(C)C 5543AA [0,1,0,0,0,0|2,0,0]=3 86 B8R0.8 CCCOC(=O)[C@H](C)O 7652AB [0,1,0,0,0,0|3,0,0]=4 87 B8R0.8 CN(C)C(=O)CCCCl 7775AD [0,1,0,0,0,0|3,0,0]=4 88 B8R0.9 CCC(=O)CCC(=O)O 8820AC [0,1,0,0,0,0|3,0,0]=4 89 B8R0.9 CCC(=O)CCC(C)=O 8738AA [0,1,0,0,0,0|2,0,0]=3 90 B8R0.9 CCC(=O)CCC(C)C 7962AF [0,1,0,0,0,0|2,0,0]=3 91 B8R0.9 CCC(=O)COC(C)=O X5648 [0,1,0,0,0,0|3,0,0]=4 92 B8R0.9 COC(=O)CNC(C)=O 3516AL [0,1,0,0,0,0|2,0,0]=3 93 B8R0.9 COC(=O)\C=C\C(C)=O 7011AL [0,1,0,0,0,0|1,0,2]=4 94 B8R0.19 CC[C@H](O)CC(=O)OC 5880AB [0,1,0,0,0,0|1,0,0]=2 95 B8R0.19 COC(=O)C[C@H](O)CO 5051AC [0,1,0,0,0,0|2,0,0]=3 96 B8R0.25 CNCCS(=O)(=O)NC Y2970 [0,1,0,0,0,0|3,0,0]=4 97 B8R1.1 COC1=CC(=O)CC1 6398AB [0,0,0,1,0,0|3,0,0]=4 98 B8R1.1 O=C1CC(CO)CN1 7314AE [0,0,0,1,0,0|3,0,0]=4 99 B8R1.1 O=C1CCC(CO)C1 W1896 [0,0,0,1,0,0|3,0,0]=4 100 B8R1.2 COC1CCCCC1 7515AL [0,0,0,1,0,0|2,0,1]=4 101 B8R1.3 CC1CNC(=O)CO1 6453AJ [0,0,0,1,0,0|3,0,0]=4 102 B8R1.3 CN1CCC(=O)CC1 A394 [0,0,0,1,0,0|2,0,0]=3 103 B8R1.3 NC1CCC(=O)NC1 7736AA [0,0,0,1,0,0|3,0,0]=4 104 B8R1.3 N[C@H]1CCC(=O)NC1 0353AC [0,0,0,1,0,0|3,0,0]=4 105 B8R1.3 O=C1CCC(=O)NC1 7306AB [0,0,0,1,0,0|3,0,0]=4 106 B8R1.3 O=C1CCS(=O)CC1 5611AD [0,0,0,1,0,0|2,0,1]=4 107 B8R1.3 O=C1CC[C@@H](O)CN1 X8626 [0,0,0,1,0,0|3,0,0]=4 108 B8R1.5 CC1CCCOC1=O 3885AL [0,0,0,1,0,0|3,0,0]=4 109 B8R1.5 CC1COCCC1=O Z3955 [0,0,0,1,0,0|1,1,0]=3 110 B8R1.5 CN1CCNCC1=O 1842AA [0,0,0,1,0,0|3,0,0]=4 111 B8R1.5 CN1CCNCC1=O 7723AJ [0,0,0,1,0,0|3,0,0]=4 112 B8R1.5 NC1CCCCC1=O 0726AC [0,0,0,1,0,0|3,0,0]=4 113 B8R1.5 NN1CCCCC1=O 3513AB [0,0,0,1,0,0|3,0,0]=4 114 B8R1.5 NN1CCCCC1=O Z4590 [0,0,0,1,0,0|3,0,0]=4 115 B8R1.5 O=C1CCCCC1Cl 7902AJ [0,0,0,1,0,0|3,0,0]=4 116 B8R1.22 O=C1CCCCNC1 0003AC [0,0,0,1,0,0|3,0,0]=4 117 B8R1.22 O=C1CCCNCC1 X2001 [0,0,0,1,0,0|2,0,0]=3 118 B8R1.22 O=C1CCNCCN1 W5590 [0,0,0,1,0,0|2,0,0]=3 119 B8R1.22 O=C1CCOCCO1 4654AL [0,0,0,1,0,0|0,1,0]=2 120 B8R1.22 O=C1CCSCCN1 9235AD [0,0,0,1,0,0|1,0,0]=2 121 B8R1.22 O=C1CNCCCN1 5019AJ [0,0,0,1,0,0|3,0,0]=4 122 B8R1.38 COC(=O)C1CCN1 3825AJ [0,0,0,1,0,0|2,0,0]=3 123 B8R1.38 COC(=O)C1CCN1 6194AA [0,0,0,1,0,0|2,0,0]=3 124 B8R1.50 CC1=C(Br)C(=O)CC1 1360AQ [0,0,0,1,0,0|3,0,0]=4 125 B8R1.50 CC1=C(C)C(=O)NC1 2679AE [0,0,0,1,0,0|3,0,0]=4 126 B8R1.50 CN1C(=O)CCC1O 5649AB [0,0,0,1,0,0|3,0,0]=4 127 B5R0.1 C=C(C)CCBr Z4377 [2,0,0,0,0,0|2,0,0]=4 128 B5R0.1 CCC=C(C)C 7499AF [2,0,0,0,0,0|1,0,1]=4 129 B5R0.1 CNCC(C)=O 4565AF [2,0,0,0,0,0|1,0,0]=3 130 B5R0.1 CNOC(C)=O 8699AL [2,0,0,0,0,0|2,0,0]=4 131 B5R0.1 CS(=O)CCN 4290AE [2,0,0,0,0,0|2,0,0]=4 132 B5R0.1 CSCC(=N)N 1816AJ [2,0,0,0,0,0|2,0,0]=4 133 B5R0.1 NOCC(=O)O 2959AB [2,0,0,0,0,0|1,1,0]=4 134 B5R0.1 O=C(O)CCF 6350AB [2,0,0,0,0,0|1,0,0]=3 135 B5R0.2 C=CCSSC 7031AL [2,0,0,0,0,0|1,0,1]=4 136 B5R0.2 CCCCOC 7303AL [2,0,0,0,0,0|0,0,1]=3 137 B5R0.2 CCCNCC 8554AL [2,0,0,0,0,0|2,0,0]=4 138 B5R0.2 CCCOCC 7892AL [2,0,0,0,0,0|2,0,0]=4 139 B5R0.2 CCCSCC R576 [2,0,0,0,0,0|2,0,0]=4 140 B5R0.2 CNCCSC 7146AJ [2,0,0,0,0,0|1,0,0]=3 141 B5R0.2 COCCCI 9890AH [2,0,0,0,0,0|1,0,1]=4 142 B5R0.2 COCCON Y9404 [2,0,0,0,0,0|1,1,0]=4 143 B5R0.2 [C-]#[N+]CCOC V5938 [2,0,0,0,0,0|1,0,1]=4 144 B5R0.3 C=C(SC)SC 4356AL [2,0,0,0,0,0|1,1,0]=4 145 B5R0.3 CCC(=O)CN X8894 [2,0,0,0,0,0|2,0,0]=4 146 B5R0.3 CCC(=O)CO X5132 [2,0,0,0,0,0|1,1,0]=4 147 B5R0.3 CCC(=S)OC R571 [2,0,0,0,0,0|0,1,0]=3 148 B5R0.3 C\C=C(/C)CC 0241AQ [2,0,0,0,0,0|2,0,0]=4 149 B5R0.3 C\C=C(/C)CC 9220AL [2,0,0,0,0,0|2,0,0]=4 150 B5R0.3 C\C=C(\C)CC 7440AL [2,0,0,0,0,0|2,0,0]=4 151 B7R0.2 CC(O)CC(=O)NN 8247AD [1,1,0,0,0,0|2,0,0]=4 152 B7R0.2 COC(=O)CC(N)=S 7011AJ [1,1,0,0,0,0|0,0,2]=4 153 B7R0.2 COC(C)CC(C)O 5636AH [1,1,0,0,0,0|1,0,1]=4 154 B7R0.5 CCCC(=O)C(=O)O 5775AL [1,1,0,0,0,0|2,0,0]=4 155 B7R0.5 CCCC(=O)C(C)C 5712AL [1,1,0,0,0,0|1,0,0]=3 156 B7R0.7 CCNC(=O)CCN 1836AD [1,1,0,0,0,0|2,0,0]=4 157 B7R0.7 CCNC(=O)CNC 2852AF [1,1,0,0,0,0|2,0,0]=4 158 B7R0.7 CCOC(=O)CNC 5920AA [1,1,0,0,0,0|1,0,0]=3 159 B7R0.7 CCOS(=O)OCC 7113AF [1,1,0,0,0,0|2,0,0]=4 160 B7R0.7 CCSC(=O)SCC 7782AL [1,1,0,0,0,0|1,1,0]=4 161 B7R0.7 O=C(CCO)CCO 5879AB [1,1,0,0,0,0|1,1,0]=4 162 B7R0.10 C=C(CCl)C(=O)OC X7009 [1,1,0,0,0,0|1,0,1]=4 163 B7R0.10 CCC(=O)C(O)CC 8871AL [1,1,0,0,0,0|1,0,0]=3 164 B7R0.10 CCC(C)C(=O)NN 8409AE [1,1,0,0,0,0|2,0,0]=4 165 B7R0.10 CC[C@@H](O)C(=O)OC 9868AL [1,1,0,0,0,0|0,0,0]=2 166 B7R0.10 CC[C@H](O)C(=O)OC 9869AL [1,1,0,0,0,0|0,0,0]=2 167 B7R0.10 COC(=O)C(Cl)C=O 7018AD [1,1,0,0,0,0|0,1,1]=4 168 B7R0.10 COC(=O)C(F)CO 0323AC [1,1,0,0,0,0|0,1,0]=3 169 B7R0.10 COC(=O)C(O)CO 0209AP [1,1,0,0,0,0|0,1,0]=3 170 B7R0.10 COC(=O)[C@@H](C)CBr 4140AL [1,1,0,0,0,0|1,0,0]=3 171 B7R0.10 COC(=O)[C@@H](C)CO X3276 [1,1,0,0,0,0|0,1,0]=3 172 B7R0.10 C\C=C(/Br)C(=O)OC 3521AL [1,1,0,0,0,0|0,0,2]=4 173 B7R0.4 C=C(C)CCCCC 5698AL [1,1,0,0,0,0|2,0,0]=4 174 B7R0.4 C=CCCOC(C)=O 3121AL [1,1,0,0,0,0|1,0,1]=4 175 B7R0.4 CC(=O)NCCCN V6432 [1,1,0,0,0,0|2,0,0]=4 176 B7R0.4 CC(=O)NCCCO 8280AC [1,1,0,0,0,0|2,0,0]=4 177 B7R0.4 CCCSCC(=O)O 6980AD [1,1,0,0,0,0|1,0,0]=3 178 B7R0.4 CCOCCC(C)=O 6489AL [1,1,0,0,0,0|0,1,0]=3 179 B7R0.4 CC\C=C\CC(=O)O 7477AF [1,1,0,0,0,0|1,0,1]=4 180 B7R0.4 CNCCCC(=O)O 2115AA [1,1,0,0,0,0|1,0,0]=3 181 B7R0.4 COCC#CC(=O)O 2855AJ [1,1,0,0,0,0|0,1,1]=4 182 B7R0.4 N#CCCCC(=O)O W5958 [1,1,0,0,0,0|1,0,1]=4 183 B7R0.6 C=C(C)CCC(=C)C 7929AF [1,1,0,0,0,0|2,0,0]=4 184 B7R0.6 C=C(C)CCC(C)C 5371AL [1,1,0,0,0,0|2,0,0]=4 185 B7R0.6 CC(=O)CCN(C)C 8474AD [1,1,0,0,0,0|1,0,0]=3 186 B7R0.6 CC(=O)SCC(=O)O Y7206 [1,1,0,0,0,0|2,0,0]=4 187 B7R0.6 CC(C)CCC(=O)O 9893AB [1,1,0,0,0,0|1,0,0]=3 188 B7R0.6 C[S+](C)CCC(=O)O 4030AL [1,1,0,0,0,0|0,0,1]=3 189 B7R0.6 O=C(O)CC[N+](=O)[O-] 6949AB [1,1,0,0,0,0|2,0,0]=4 190 B7R0.8 CNCCS(=O)(=O)O 7089AF [1,1,0,0,0,0|2,0,0]=4 191 B7R0.1 CCCC\C=C\CO 9204AL [1,1,0,0,0,0|2,0,0]=4 192 B7R0.1 CCCNCCOC X4577 [1,1,0,0,0,0|1,0,1]=4 193 B7R0.1 CC\C=C\CCCC 9221AL [1,1,0,0,0,0|2,0,0]=4 194 B7R0.1 CNCCCCOC AMTGC537 [1,1,0,0,0,0|1,0,1]=4 195 B7R0.1 C\C=C/CCCCC 7427AL [1,1,0,0,0,0|2,0,0]=4 196 B7R0.1 C\C=C\CCCCC 7960AF [1,1,0,0,0,0|2,0,0]=4 197 B9R0.5 C=CCCCC(=O)OCC 5392AE [0,2,0,0,0,0|1,0,1]=4 198 B9R0.5 CCCCNC(=O)CCN 2211AD [0,2,0,0,0,0|2,0,0]=4 199 B9R0.5 CCCCNC(=O)CNC 8713AD [0,2,0,0,0,0|2,0,0]=4 200 B9R0.5 CCCNCC(=O)OCC 0138AP [0,2,0,0,0,0|1,0,0]=3 201 B9R0.5 CCOC(=O)CCN=C=O 4558AE [0,2,0,0,0,0|1,0,1]=4 202 B9R0.5 CCOC(=O)CNCCN V4614 [0,2,0,0,0,0|2,0,0]=4 203 B9R0.34 CCOC(=O)CC(C)NC 8105AE [0,2,0,0,0,0|1,0,0]=3 204 B9R0.34 CCOC(=O)CC(O)CCl X6126 [0,2,0,0,0,0|2,0,0]=4 205 B9R0.34 CCOC(=O)C[C@H](O)CBr 6466AC [0,2,0,0,0,0|2,0,0]=4 206 B9R0.35 CCOC(=O)C(C)CNC 8720AC [0,2,0,0,0,0|1,0,0]=3 207 B9R0.6 CCCC(C)C(=O)C(C)C 9737AA [0,2,0,0,0,0|2,0,0]=4 208 B9R0.27 CCC(=O)C(F)C(=O)OC U647 [0,2,0,0,0,0|1,0,1]=4 209 B9R0.27 CC[C@H](C)[C@H](N)C(=O)OC 2134AB [0,2,0,0,0,0|1,0,0]=3 210 B9R0.27 COC(=O)C(Br)C(=O)OC 7369AF [0,2,0,0,0,0|0,1,1]=4 211 B9R0.27 COC(=O)C(N)C(=O)OC 7671AB [0,2,0,0,0,0|0,1,1]=4 212 B9R0.60 C=CCC(C)(C)C(=O)OC 2805AL [0,2,0,0,0,0|1,0,1]=4 213 B9R0.1 COC(=O)CCC[N+](=O)[O-] Z9740 [0,2,0,0,0,0|2,0,0]=4 214 B9R0.1 COC(=O)CCNC(C)=O 3347AB [0,2,0,0,0,0|1,0,0]=3 215 B9R0.1 COC(=O)\C=C\CC(C)C 9254AE [0,2,0,0,0,0|1,0,1]=4 216 B9R0.46 C=CCNCCC(=O)OC 1963AE [0,2,0,0,0,0|1,0,0]=3 217 B9R0.46 CCCNCCC(=O)NC 7922AC [0,2,0,0,0,0|2,0,0]=4 218 B9R0.46 CCCNCCC(=O)OC 4406AE [0,2,0,0,0,0|1,0,0]=3 219 B9R0.47 CCCCNC(=O)C(C)N 7164AE [0,2,0,0,0,0|2,0,0]=4 220 B9R0.47 COCCNC(=O)C(C)N 2847AD [0,2,0,0,0,0|1,1,0]=4 221 B7R1.1 COC1=NCCN1 2725AB [1,0,0,1,0,0|2,0,0]=4 222 B7R1.2 CC1=NOC(=O)C1 0252AQ [1,0,0,1,0,0|1,0,1]=4 223 B7R1.2 CN1CCC(=O)C1 B871 [1,0,0,1,0,0|2,0,0]=4 224 B7R1.2 C[C@@H]1COC(=O)O1 P610 [1,0,0,1,0,0|1,0,0]=3 225 B7R1.2 NC1CNC(=O)C1 4028AC [1,0,0,1,0,0|2,0,0]=4 226 B7R1.2 O=C1CCC(I)C1 3588AC [1,0,0,1,0,0|2,0,0]=4 227 B7R1.2 O=C1OCC(Cl)O1 E933 [1,0,0,1,0,0|2,0,0]=4 228 B7R1.3 ClC1=CCCCC1 5746AC [1,0,0,1,0,0|2,0,0]=4 229 B7R1.3 O=C1C=CCCO1 X2978 [1,0,0,1,0,0|0,0,2]=4 230 B7R1.3 O=C1NCCCO1 V6397 [1,0,0,1,0,0|1,0,0]=3 231 B7R1.4 CC1CCNC1=O Y8455 [1,0,0,1,0,0|2,0,0]=4 232 B7R1.4 O=C1CCCC1Br X5623 [1,0,0,1,0,0|2,0,0]=4 233 B7R1.4 O=C1CCCC1Cl W7923 [1,0,0,1,0,0|2,0,0]=4 234 B7R1.22 COC(=O)C1CN1 6374AE [1,0,0,1,0,0|1,0,0]=3 235 B7R1.22 [C@H]1(C(=O)OC)CO1 R140 [1,0,0,1,0,0|0,1,0]=3 236 B7R1.12 C[C@@H]1C[C@H]1C(=O)O 8055AC [1,0,0,1,0,0|1,0,0]=3 237 B7R1.18 NC(=O)C1CCC1 F371 [1,0,0,1,0,0|2,0,0]=4 238 B7R1.18 NC(=O)C1CNC1 Z4019 [1,0,0,1,0,0|2,0,0]=4 239 B7R1.18 O=C(O)C1CCN1 0741AC [1,0,0,1,0,0|2,0,0]=4 240 B7R1.18 O=C(O)C1CCO1 3540AC [1,0,0,1,0,0|2,0,0]=4 241 B7R1.18 O=C(O)C1COC1 X3417 [1,0,0,1,0,0|0,1,0]=3 242 B7R1.20 CC(=O)CC1CC1 5730AB [1,0,0,1,0,0|1,0,0]=3 243 B7R1.24 C1=CCCCCC1 7508AL [1,0,0,1,0,0|2,0,0]=4 244 B9R1.2 COC1=CCCN(C)C1 6375AJ [0,1,0,1,0,0|2,0,0]=4 245 B9R1.2 COC1CCCC(=O)C1 2324AJ [0,1,0,1,0,0|1,1,0]=4 246 B9R1.7 CCCC1CNC(=O)C1 2594AF [0,1,0,1,0,0|2,0,0]=4 247 B9R1.7 COC[C@H]1CNC(=O)O1 1743AB [0,1,0,1,0,0|1,1,0]=4 248 B9R1.7 COC[C@H]1COC(=O)O1 4184AL [0,1,0,1,0,0|0,1,0]=3 249 B9R1.15 CCC1COCCC1=O 2269AJ [0,1,0,1,0,0|1,1,0]=4 250 B9R1.48 CC1CC(=O)NCCN1 Y4643 [0,1,0,1,0,0|2,0,0]=4 251 B9R1.49 CN1CCCC(=O)CC1 W4017 [0,1,0,1,0,0|2,0,0]=4 252 B9R1.69 CC1CCC(=O)CC1C 2294AL [0,1,0,1,0,0|2,0,0]=4 253 B9R1.69 CC1CCC(C)C(=O)C1 5379AL [0,1,0,1,0,0|2,0,0]=4 254 B9R1.69 CN1CC(N)CCC1=O 2690AD [0,1,0,1,0,0|2,0,0]=4 255 B9R1.73 CCOC(=O)C1CCN1 1941AC [0,1,0,1,0,0|2,0,0]=4 256 B9R1.73 CCOC(=O)C1CCN1 8256AA [0,1,0,1,0,0|2,0,0]=4 257 B9R1.73 CCOC(=O)[C@@H]1CCN1 2353AC [0,1,0,1,0,0|2,0,0]=4 258 B9R1.183 CCOC(=O)C1CC1C 0688AB [0,1,0,1,0,0|1,0,0]=3 259 B9R1.3 CN1CCCC(N)C1=O 2118AJ [0,1,0,1,0,0|2,0,0]=4 260 B9R1.11 CNC(=O)C1CCCC1 3843AE [0,1,0,1,0,0|2,0,0]=4 261 B9R1.11 CNC(=O)C1CCNC1 7267AC [0,1,0,1,0,0|2,0,0]=4 262 B9R1.11 COC(=O)C1CCCC1 6360AB [0,1,0,1,0,0|1,0,0]=3 263 B9R1.11 COC(=O)C1CCCN1 7330AB [0,1,0,1,0,0|1,0,0]=3 264 B9R1.11 COC(=O)[C@@H]1CCNC1 5916AB [0,1,0,1,0,0|1,0,0]=3 265 B9R1.11 [C@H]1(C(=O)OC)CCNC1 0998AB [0,1,0,1,0,0|1,0,0]=3 266 B9R1.82 COC(=O)[C@H]1C[C@H](O)C1 9615AF [0,1,0,1,0,0|1,0,0]=3 267 B9R1.101 COC(=O)C(N)C1CC1 3819AJ [0,1,0,1,0,0|1,0,0]=3 268 B9R1.101 COC(=O)C(O)C1CC1 HTS033439 [0,1,0,1,0,0|1,0,0]=3 269 B9R1.186 COC(=O)C1(N)CCC1 W4473 [0,1,0,1,0,0|1,0,0]=3 270 B9R1.1 O=C1CCC(CO)CN1 7233AA [0,1,0,1,0,0|2,0,0]=4 271 B9R1.79 CCC(=O)OC1CNC1 2357AD [0,1,0,1,0,0|2,0,0]=4 272 B9R1.79 COC(=O)CC1CNC1 4710AC [0,1,0,1,0,0|1,0,0]=3 273 B9R1.40 CC1(C)CNCCC1=O 2067AJ [0,1,0,1,0,0|2,0,0]=4 274 B9R1.40 CC1(C)COCCC1=O 9422AB [0,1,0,1,0,0|1,1,0]=4 275 B9R1.110 CN(C)C(=O)C1CNC1 3445AF [0,1,0,1,0,0|2,0,0]=4 276 B9R1.10 CC1(O)CCC(=O)CC1 9011AA [0,1,0,1,0,0|2,0,0]=4 277 B9R2.39 O=C1CC2CCC1C2 B806 [0,0,0,2,0,0|2,0,0]=4 278 B9R2.109 O=C1CCCC2CC12 3165AL [0,0,0,2,0,0|2,0,0]=4 279 B9R2.7 [C@H]12CCC[C@H]1NC2=O 6574AJ [0,0,0,2,0,0|2,0,0]=4