0 B7R0.5 C=C(Br)C(=O)OCC Y5466 [0,0,0,0,0,0|2,0,1]=3 1 B7R0.5 CCCC(=O)C(=O)O 5775AL [0,0,0,0,0,0|1,0,0]=1 2 B7R0.5 CCCC(=O)C(C)C 5712AL [0,0,0,0,0,0|1,0,1]=2 3 B7R0.5 CCCC(O)C(C)C 5711AL [0,0,0,0,0,0|1,0,3]=4 4 B7R0.5 CCNC(C)C(N)=O 7697AD [0,0,0,0,0,0|3,0,1]=4 5 B7R0.5 CCSC(C)C(=O)O 6924AD [0,0,0,0,0,0|3,0,1]=4 6 B7R0.5 COCC(Cl)C(=O)O 2065AB [0,0,0,0,0,0|3,0,1]=4 7 B7R0.5 CSC[C@H](N)C(=O)O 2067AC [0,0,0,0,0,0|3,0,1]=4 8 B7R0.5 NC(CCBr)C(=O)O 1883AC [0,0,0,0,0,0|3,0,1]=4 9 B7R0.5 NC(CCBr)C(=O)O E114 [0,0,0,0,0,0|3,0,1]=4 10 B7R0.5 NCCC(N)C(=O)O W7673 [0,0,0,0,0,0|3,0,1]=4 11 B7R0.5 NCC[C@@H](N)C(=O)O W5006 [0,0,0,0,0,0|3,0,1]=4 12 B7R0.5 NCC[C@H](N)C(=O)O 1360AC [0,0,0,0,0,0|3,0,1]=4 13 B7R0.5 NCC[C@H](N)C(=O)O 7090AH [0,0,0,0,0,0|3,0,1]=4 14 B7R0.5 N[C@H](CCS)C(=O)O 8982AB [0,0,0,0,0,0|3,0,1]=4 15 B6R0.1 C#CCC(=O)OC 3698AB [1,0,0,0,0,0|1,0,2]=4 16 B6R0.1 C=CC(C)CCC 6092AL [1,0,0,0,0,0|1,0,2]=4 17 B6R0.1 CC#CC(=O)OC X7106 [1,0,0,0,0,0|1,0,2]=4 18 B6R0.1 CCC(=O)CSC K829 [1,0,0,0,0,0|1,0,1]=3 19 B6R0.1 CCCC(=O)SC 8847AJ [1,0,0,0,0,0|1,0,0]=2 20 B6R0.1 CCCC(Br)CC 3975AB [1,0,0,0,0,0|1,0,2]=4 21 B6R0.1 CCCC(C)CC 7810AF [1,0,0,0,0,0|1,0,2]=4 22 B6R0.1 CCCC(O)CC 7557AF [1,0,0,0,0,0|0,0,3]=4 23 B6R0.1 CCC\C(N)=N\O 8990AD [1,0,0,0,0,0|2,0,1]=4 24 B6R0.1 CCOC(=N)CC 8352AC [1,0,0,0,0,0|2,0,1]=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|2,0,0]=3 27 B6R0.1 COC(=O)CCCl X6204 [1,0,0,0,0,0|2,0,0]=3 28 B6R0.1 COCC(=O)OC J70196 [1,0,0,0,0,0|2,0,0]=3 29 B6R0.3 C=C(CBr)C(=O)O 1795AL [1,0,0,0,0,0|3,0,0]=4 30 B6R0.3 CC(=O)C(=O)CCl 5581AE [1,0,0,0,0,0|1,0,0]=2 31 B6R0.3 CC(=O)C(N)CO 6844AC [1,0,0,0,0,0|2,0,1]=4 32 B6R0.3 CCC(=O)C(C)Br 5539AL [1,0,0,0,0,0|1,0,1]=3 33 B6R0.3 CCC(=O)C(C)S 5675AL [1,0,0,0,0,0|0,1,1]=3 34 B6R0.3 CCC(C)C(C)=O U423 [1,0,0,0,0,0|1,0,1]=3 35 B6R0.3 CCC(O)C(=O)[O-] 8154AL [1,0,0,0,0,0|1,0,2]=4 36 B6R0.3 CCC(S)C(C)=O 9471AJ [1,0,0,0,0,0|0,1,1]=3 37 B6R0.3 CC[C@@H](C)C(N)=O 5046AB [1,0,0,0,0,0|2,0,1]=4 38 B6R0.3 CC[C@@H](Cl)C(=O)O 4152AL [1,0,0,0,0,0|2,0,1]=4 39 B6R0.3 CC[C@H](Cl)C(=O)O Z6043 [1,0,0,0,0,0|2,0,1]=4 40 B6R0.3 CN(C)C(=O)CI 1440AC [1,0,0,0,0,0|3,0,0]=4 41 B6R0.3 CN(C)C(=O)CN W4015 [1,0,0,0,0,0|3,0,0]=4 42 B6R0.3 CN(C)C(=O)CN Z5718 [1,0,0,0,0,0|3,0,0]=4 43 B6R0.3 CNC(=O)C(C)Cl 3091AE [1,0,0,0,0,0|2,0,1]=4 44 B6R0.3 COC(=O)N(C)N 6989AD [1,0,0,0,0,0|3,0,0]=4 45 B6R0.3 COC(=O)[C@@H](C)Cl X3442 [1,0,0,0,0,0|2,0,1]=4 46 B6R0.3 CSC(C)C(C)=O 6125AL [1,0,0,0,0,0|2,0,1]=4 47 B6R0.3 C\C=C(/C)C(C)=O 6105AL [1,0,0,0,0,0|1,0,1]=3 48 B6R0.3 C\C=C(\C)C(=O)O 8382AJ [1,0,0,0,0,0|2,0,1]=4 49 B6R0.3 NNC(=O)C(N)=O 4727AE [1,0,0,0,0,0|3,0,0]=4 50 B6R0.4 C#CCNC(C)=O 3665AL [1,0,0,0,0,0|1,0,2]=4 51 B6R0.4 C=C(C)CCCC 5699AL [1,0,0,0,0,0|1,0,1]=3 52 B6R0.4 C=C(C)CCCO 2774AL [1,0,0,0,0,0|2,0,1]=4 53 B6R0.4 CC(=O)NCCCl W8163 [1,0,0,0,0,0|2,0,0]=3 54 B6R0.4 CC(=O)OCCCl 7237AF [1,0,0,0,0,0|2,0,0]=3 55 B6R0.4 CC(=O)SCC#N 6370AE [1,0,0,0,0,0|2,0,1]=4 56 B6R0.4 CC(=O)SCCN 5884AD [1,0,0,0,0,0|2,0,0]=3 57 B6R0.4 CCCC=C(C)C 5704AL [1,0,0,0,0,0|1,0,0]=2 58 B6R0.4 CCCCC(=O)Br 7391AF [1,0,0,0,0,0|1,0,1]=3 59 B6R0.4 CCCCC(C)C 5734AL [1,0,0,0,0,0|1,0,2]=4 60 B6R0.4 CCCCC(C)Cl 5578AL [1,0,0,0,0,0|1,0,2]=4 61 B6R0.4 CCCCC(C)O 9467AB [1,0,0,0,0,0|0,0,3]=4 62 B6R0.4 CCCNC(C)C 7560AH [1,0,0,0,0,0|2,0,1]=4 63 B6R0.4 CCCNC(N)=S 3447AF [1,0,0,0,0,0|2,1,0]=4 64 B6R0.4 CCCO[N+](=O)[O-] X5340 [1,0,0,0,0,0|3,0,0]=4 65 B6R0.4 CCCSC(C)C 8111AL [1,0,0,0,0,0|2,0,1]=4 66 B6R0.4 CCNCC(=O)O X5133 [1,0,0,0,0,0|2,0,1]=4 67 B6R0.4 CNCCC(=O)O 5026AF [1,0,0,0,0,0|2,0,1]=4 68 B6R0.4 COCCC(C)=O B939 [1,0,0,0,0,0|1,0,1]=3 69 B6R0.4 FC(F)=CCCBr 4541AD [1,0,0,0,0,0|3,0,0]=4 70 B6R0.4 NC(=O)CCCCl Y1653 [1,0,0,0,0,0|2,0,1]=4 71 B6R0.4 NC(=O)NCCCl 5576AL [1,0,0,0,0,0|3,0,0]=4 72 B6R0.4 NC(=O)OCCCl 7044AF [1,0,0,0,0,0|3,0,0]=4 73 B6R0.4 O=C(O)CCCS 7264AF [1,0,0,0,0,0|2,0,1]=4 74 B8R0.2 CCC(C)C(=O)C(=O)O 6099AL [0,1,0,0,0,0|1,0,0]=2 75 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O E693 [0,1,0,0,0,0|2,0,1]=4 76 B8R0.2 CC[C@H](C)[C@H](Cl)C(=O)O 9212AJ [0,1,0,0,0,0|2,0,1]=4 77 B8R0.2 CNC(C)C(=O)N(C)C 8368AE [0,1,0,0,0,0|3,0,0]=4 78 B8R0.3 C=C(CCl)C(=O)OCC 5041AL [0,1,0,0,0,0|2,0,0]=3 79 B8R0.3 C=C(CO)C(=O)OCC X8486 [0,1,0,0,0,0|2,0,0]=3 80 B8R0.3 CCCC(=O)C(C)CC 7877AA [0,1,0,0,0,0|1,0,1]=3 81 B8R0.3 CCCC(N)C(=O)NC 1487AF [0,1,0,0,0,0|1,0,1]=3 82 B8R0.3 CN(CCO)C(=O)CN 2090AD [0,1,0,0,0,0|3,0,0]=4 83 B8R0.3 CNCC(C)C(=O)OC Z2743 [0,1,0,0,0,0|2,0,1]=4 84 B8R0.8 CC(=O)N(C)CCC#N 3197AE [0,1,0,0,0,0|2,0,1]=4 85 B8R0.8 CC(N)C(=O)NCCO 2846AD [0,1,0,0,0,0|2,0,1]=4 86 B8R0.8 CCCCC(=O)C(C)C 5543AA [0,1,0,0,0,0|1,0,1]=3 87 B8R0.8 CCCCC(C)C(C)=O 1634AB [0,1,0,0,0,0|1,0,1]=3 88 B8R0.8 CCCCC(N)C(N)=O 6641AH [0,1,0,0,0,0|2,0,1]=4 89 B8R0.8 CCCNC(=O)C(=O)O 0106AF [0,1,0,0,0,0|1,0,0]=2 90 B8R0.8 CCCOC(=O)[C@H](C)O 7652AB [0,1,0,0,0,0|0,0,2]=3 91 B8R0.8 CN(C)C(=O)CCCCl 7775AD [0,1,0,0,0,0|2,0,0]=3 92 B8R0.8 CSCC[C@@H](N)C(=O)[O-] 8519AE [0,1,0,0,0,0|2,0,1]=4 93 B8R0.8 C[Se]CC[C@H](N)C(=O)O M598 [0,1,0,0,0,0|2,0,1]=4 94 B8R0.8 OCCCC(F)=C(F)F 8683AC [0,1,0,0,0,0|3,0,0]=4 95 B8R0.14 CCNC(=O)C(C)(C)N 2418AD [0,1,0,0,0,0|2,0,1]=4 96 B8R0.15 CCCC(OC)C(=O)O 5382AE [0,1,0,0,0,0|1,0,2]=4 97 B8R0.15 CCC[C@@H](NC)C(=O)O 0554AP [0,1,0,0,0,0|2,0,1]=4 98 B8R0.23 CC(=O)C(=O)CC(C)C 6793AL [0,1,0,0,0,0|0,0,0]=1 99 B8R0.23 CC(=O)C(N)CC(C)C 5475AB [0,1,0,0,0,0|1,0,1]=3 100 B8R0.23 CC(=O)CC(=O)C(C)C 8868AE [0,1,0,0,0,0|1,0,2]=4 101 B8R0.23 CC(C)CC(=O)C(=O)O 2659AC [0,1,0,0,0,0|1,0,0]=2 102 B8R0.23 CC(C)NC(=O)C(C)C 1083AF [0,1,0,0,0,0|2,0,1]=4 103 B8R0.23 CC(C)NC(=O)C(C)Cl 3092AE [0,1,0,0,0,0|2,0,1]=4 104 B8R0.23 CC(C)NC(=O)C(C)N 2921AD [0,1,0,0,0,0|2,0,1]=4 105 B8R0.23 CC(C)OC(=O)C(C)C 7796AF [0,1,0,0,0,0|2,0,1]=4 106 B8R1.5 CC1CCCOC1=O 3885AL [0,0,0,1,0,0|2,0,1]=4 107 B8R1.5 CC1COCCC1=O Z3955 [0,0,0,1,0,0|2,0,1]=4 108 B8R1.5 CC1OCCNC1=O 5590AJ [0,0,0,1,0,0|1,0,2]=4 109 B8R1.5 CN1CCNCC1=O 1842AA [0,0,0,1,0,0|3,0,0]=4 110 B8R1.5 CN1CCNCC1=O 7723AJ [0,0,0,1,0,0|3,0,0]=4 111 B8R1.5 C[C@@H]1NCCNC1=O 2295AC [0,0,0,1,0,0|2,0,1]=4 112 B8R1.5 C[C@H]1NCCNC1=O 5574AC [0,0,0,1,0,0|2,0,1]=4 113 B8R1.5 NC1CCCCC1=O 0726AC [0,0,0,1,0,0|1,0,1]=3 114 B8R1.5 NN1CCCCC1=O 3513AB [0,0,0,1,0,0|2,0,0]=3 115 B8R1.5 NN1CCCCC1=O Z4590 [0,0,0,1,0,0|2,0,0]=3 116 B8R1.5 N[C@@H]1CCCNC1=O 4620AC [0,0,0,1,0,0|2,0,1]=4 117 B8R1.5 N[C@H]1CCCNC1=O 4844AJ [0,0,0,1,0,0|2,0,1]=4 118 B8R1.5 O=C1CCCC=C1Br V6293 [0,0,0,1,0,0|1,0,1]=3 119 B8R1.5 O=C1CCCCC1Cl 7902AJ [0,0,0,1,0,0|1,0,1]=3 120 B8R1.5 O=C1NCCCC1Br 4146AB [0,0,0,1,0,0|2,0,1]=4 121 B8R1.5 O=C1NCCNC1=O 3615AD [0,0,0,1,0,0|2,0,0]=3 122 B8R1.7 CC(=O)C1CCNC1 Y4441 [0,0,0,1,0,0|2,0,1]=4 123 B8R1.7 NC(=O)C1CCCN1 Y8548 [0,0,0,1,0,0|2,0,1]=4 124 B8R1.7 O=C(O)[C@@H]1CCCN1 2188AC [0,0,0,1,0,0|2,0,1]=4 125 B8R1.19 CC1(C)CCNC1=O 4182AE [0,0,0,1,0,0|2,0,1]=4 126 B8R1.37 CCOC(=O)[C@H]1CO1 3304AL [0,0,0,1,0,0|1,0,2]=4 127 B8R1.37 COCC(=O)C1CC1 8478AA [0,0,0,1,0,0|2,0,1]=4 128 B8R1.54 CC(Br)C(=O)C1CC1 5469AJ [0,0,0,1,0,0|1,0,1]=3 129 B8R1.54 O=C(O)C(=O)C1CC1 Z4141 [0,0,0,1,0,0|1,0,0]=2 130 B8R0.5 C=C(C)CC(C)CCC 5311AL [0,0,0,0,0,1|2,0,1]=4 131 B8R0.5 CC(C)NC(=O)CCN 9774AC [0,0,0,0,0,1|2,0,1]=4 132 B8R0.5 CCCC(=O)NC(C)C 4245AA [0,0,0,0,0,1|1,0,1]=3 133 B8R0.5 CCOC(=O)CC(C)Br 1536AC [0,0,0,0,0,1|2,0,1]=4 134 B8R0.5 CCOC(=O)CN(C)C 3848AB [0,0,0,0,0,1|3,0,0]=4 135 B8R0.5 CNCC(=O)NC(C)C 1017AD [0,0,0,0,0,1|2,0,1]=4 136 B8R0.5 CNCC(=O)NC(C)C 4697AE [0,0,0,0,0,1|2,0,1]=4 137 B8R0.5 COCC(=O)CC(C)=O W7487 [0,0,0,0,0,1|1,0,0]=2 138 B5R0.1 C=C(C)CCBr Z4377 [2,0,0,0,0,0|2,0,0]=4 139 B5R0.1 CC(C)=CCCl 7671AJ [2,0,0,0,0,0|2,0,0]=4 140 B5R0.1 CCC=C(C)C 7499AF [2,0,0,0,0,0|1,0,0]=3 141 B5R0.1 CNCC(C)=O 4565AF [2,0,0,0,0,0|1,0,0]=3 142 B5R0.1 CNOC(C)=O 8699AL [2,0,0,0,0,0|2,0,0]=4 143 B5R0.1 CS(=O)CCN 4290AE [2,0,0,0,0,0|2,0,0]=4 144 B5R0.1 C\C(Cl)=C/CCl 4550AL [2,0,0,0,0,0|2,0,0]=4 145 B5R0.1 C\C(Cl)=C\CN 9653AD [2,0,0,0,0,0|2,0,0]=4 146 B5R0.1 C\C(Cl)=C\CO X6578 [2,0,0,0,0,0|2,0,0]=4 147 B5R0.1 O=C(O)CCF 6350AB [2,0,0,0,0,0|1,0,1]=4 148 B5R0.2 CCCCOC 7303AL [2,0,0,0,0,0|1,0,1]=4 149 B5R0.2 CCCNCC 8554AL [2,0,0,0,0,0|1,0,1]=4 150 B5R0.2 CCCOCC 7892AL [2,0,0,0,0,0|1,0,1]=4 151 B5R0.2 CCCSCC R576 [2,0,0,0,0,0|1,0,1]=4 152 B5R0.3 CCC(=O)CN X8894 [2,0,0,0,0,0|1,0,1]=4 153 B5R0.3 CCC(=O)CO X5132 [2,0,0,0,0,0|0,0,2]=4 154 B5R0.3 CCC(=S)OC R571 [2,0,0,0,0,0|1,1,0]=4 155 B5R0.3 C\C=C(/C)CC 0241AQ [2,0,0,0,0,0|1,0,0]=3 156 B5R0.3 C\C=C(/C)CC 9220AL [2,0,0,0,0,0|1,0,0]=3 157 B5R0.3 C\C=C(\C)CC 7440AL [2,0,0,0,0,0|1,0,0]=3 158 B5R0.5 CC(=O)C(=O)[O-] 7017AF [2,0,0,0,0,0|1,0,0]=3 159 B5R0.5 CC(=O)C(C)F 0085AF [2,0,0,0,0,0|1,0,1]=4 160 B5R0.5 O=C(O)C(=O)O 7001AF [2,0,0,0,0,0|2,0,0]=4 161 B5R0.5 O=C([O-])C(=O)[O-] 6503AJ [2,0,0,0,0,0|2,0,0]=4 162 B7R0.2 CC(O)CC(=O)NN 8247AD [1,1,0,0,0,0|2,0,0]=4 163 B7R0.3 C=C(CC)CCCC 5608AL [1,1,0,0,0,0|1,0,1]=4 164 B7R0.3 C=CC(=O)NCCN 1689AB [1,1,0,0,0,0|1,0,1]=4 165 B7R0.3 CCC(=O)NCCN 3366AF [1,1,0,0,0,0|1,0,1]=4 166 B7R0.3 CCCNC(=O)CN V6930 [1,1,0,0,0,0|1,0,1]=4 167 B7R0.3 CCC\C=C(/C)CC 6104AL [1,1,0,0,0,0|1,0,1]=4 168 B7R0.3 CCNCC(=O)OC 2143AA [1,1,0,0,0,0|1,0,0]=3 169 B7R0.3 CCNCC(=O)OC 2988AC [1,1,0,0,0,0|1,0,0]=3 170 B7R0.3 CCOCC(=O)NN 2388AE [1,1,0,0,0,0|2,0,0]=4 171 B7R0.3 CNCCC(=O)NC 5845AE [1,1,0,0,0,0|1,0,0]=3 172 B7R0.3 COC(=N)CCCCl 2164AC [1,1,0,0,0,0|2,0,0]=4 173 B7R0.3 COC(=O)CCC=O W3030 [1,1,0,0,0,0|1,0,1]=4 174 B7R0.3 COC(=O)CCCS X9990 [1,1,0,0,0,0|1,0,0]=3 175 B7R0.3 C\C=C\CC(=O)OC 9761AJ [1,1,0,0,0,0|1,0,1]=4 176 B7R0.7 C=C=CC(=O)OCC 4330AD [1,1,0,0,0,0|1,0,1]=4 177 B7R0.7 CCNC(=O)CCN 1836AD [1,1,0,0,0,0|1,0,1]=4 178 B7R0.7 CCNC(=O)CNC 2852AF [1,1,0,0,0,0|1,0,1]=4 179 B7R0.7 CCOC(=O)CNC 5920AA [1,1,0,0,0,0|1,0,1]=4 180 B7R0.7 CCOC(=O)\C=C/Br 8650AJ [1,1,0,0,0,0|1,0,1]=4 181 B7R0.7 CCOC(=O)\C=C/I 7873AL [1,1,0,0,0,0|1,0,1]=4 182 B7R0.7 CCOC(=O)\C=C\[O-] 8763AB [1,1,0,0,0,0|1,0,1]=4 183 B7R0.7 CCSC(=O)SCC 7782AL [1,1,0,0,0,0|1,0,1]=4 184 B7R0.7 O=C(CCO)CCO 5879AB [1,1,0,0,0,0|1,0,1]=4 185 B7R0.10 CCC(=O)C(O)CC 8871AL [1,1,0,0,0,0|0,0,1]=3 186 B7R0.10 CCC(C)C(=O)NN 8409AE [1,1,0,0,0,0|2,0,0]=4 187 B7R0.10 CC[C@@H](O)C(=O)OC 9868AL [1,1,0,0,0,0|1,0,0]=3 188 B7R0.10 CC[C@H](O)C(=O)OC 9869AL [1,1,0,0,0,0|1,0,0]=3 189 B7R0.10 COC(=O)C(F)CO 0323AC [1,1,0,0,0,0|2,0,0]=4 190 B7R0.10 COC(=O)C(O)CO 0209AP [1,1,0,0,0,0|2,0,0]=4 191 B7R0.10 COC(=O)[C@@H](C)CBr 4140AL [1,1,0,0,0,0|2,0,0]=4 192 B7R0.10 COC(=O)[C@@H](C)CO X3276 [1,1,0,0,0,0|2,0,0]=4 193 B7R0.16 CC(=O)C(=O)C(C)Br Y2126 [1,1,0,0,0,0|0,0,0]=2 194 B7R0.16 CC(Cl)C(=O)N(C)C 7847AC [1,1,0,0,0,0|2,0,0]=4 195 B7R0.4 C=C(C)CCCCC 5698AL [1,1,0,0,0,0|1,0,1]=4 196 B7R0.4 C=CCCOC(C)=O 3121AL [1,1,0,0,0,0|1,0,1]=4 197 B7R0.4 CC(=O)NCCCN V6432 [1,1,0,0,0,0|1,0,0]=3 198 B7R0.4 CC(=O)NCCCO 8280AC [1,1,0,0,0,0|1,0,0]=3 199 B7R0.4 CCCSCC(=O)O 6980AD [1,1,0,0,0,0|1,0,1]=4 200 B7R0.4 CCOCCC(C)=O 6489AL [1,1,0,0,0,0|0,0,1]=3 201 B7R0.4 CCO\C=C\C(=O)Cl 6797AE [1,1,0,0,0,0|1,0,1]=4 202 B7R0.4 CC\C=C\CC(=O)O 7477AF [1,1,0,0,0,0|1,0,1]=4 203 B7R0.4 CNCCCC(=O)O 2115AA [1,1,0,0,0,0|1,0,1]=4 204 B7R0.6 C=C(C)CCC(C)C 5371AL [1,1,0,0,0,0|1,0,1]=4 205 B7R0.6 CC(=O)CCN(C)C 8474AD [1,1,0,0,0,0|1,0,1]=4 206 B7R0.6 CC(C)CCC(=O)O 9893AB [1,1,0,0,0,0|1,0,1]=4 207 B9R0.4 CCCOC(=O)\C=C(\C)N 2141AJ [0,1,0,0,0,1|1,0,0]=3 208 B9R0.6 C=C(C)C(=O)C(=O)OCC 6740AJ [0,1,0,0,0,1|2,0,0]=4 209 B9R0.6 CCOC(=O)C(C)C(=O)O 2263AJ [0,1,0,0,0,1|2,0,0]=4 210 B9R0.23 CCC(Br)C(=O)NC(C)C 2965AE [0,1,0,0,0,1|1,0,1]=4 211 B9R0.23 CCC(C)C(=N)CC(C)=O Y2757 [0,1,0,0,0,1|1,0,0]=3 212 B9R0.34 CCCC(=O)OC(C)CC 8954AL [0,1,0,0,0,1|1,0,1]=4 213 B9R0.34 CCOC(=O)CC(=O)CBr S244 [0,1,0,0,0,1|1,0,0]=3 214 B9R0.34 CCOC(=O)\C=C(/C)C=O 0167AQ [0,1,0,0,0,1|1,0,0]=3 215 B9R0.53 CC(=O)CC(C)CC(C)C 0099AB [0,1,0,0,0,1|1,0,1]=4 216 B9R0.27 CC[C@H](C)[C@H](N)C(=O)OC 2134AB [0,2,0,0,0,0|1,0,1]=4 217 B9R0.41 CCN(CC)C(=O)C(=O)O 5537AE [0,2,0,0,0,0|2,0,0]=4 218 B9R0.79 CC(C)C(N)C(=O)N(C)C 3254AD [0,2,0,0,0,0|2,0,0]=4 219 B9R0.8 CCCCN(C)C(=O)CN 5553AD [0,2,0,0,0,0|2,0,0]=4 220 B9R0.35 CCOC(=O)C(=O)[CH-]C#N 0090AP [0,2,0,0,0,0|1,0,1]=4 221 B9R0.3 CCCNC(=O)C(C)(C)N 1458AD [0,2,0,0,0,0|1,0,1]=4 222 B9R0.7 CC(C)CNC(=O)C(=O)O 9215AE [0,2,0,0,0,0|1,0,0]=3 223 B9R0.42 CCC(C)NC(=O)C(=O)O 9984AE [0,2,0,0,0,0|1,0,0]=3 224 B9R0.42 CCC(C)NC(=O)C(C)N 3093AD [0,2,0,0,0,0|1,0,1]=4 225 B9R0.47 CC(N)C(=O)NCCCO 2760AD [0,2,0,0,0,0|1,0,1]=4 226 B9R0.47 CCCCNC(=O)C(C)N 7164AE [0,2,0,0,0,0|1,0,1]=4 227 B9R0.47 COCCNC(=O)C(C)N 2847AD [0,2,0,0,0,0|1,0,1]=4 228 B7R1.1 O=CC1=CCSC1 2331AA [1,0,0,1,0,0|2,0,0]=4 229 B7R1.2 CN1CCC(=O)C1 B871 [1,0,0,1,0,0|1,0,1]=4 230 B7R1.2 C[C@@H]1COC(=O)O1 P610 [1,0,0,1,0,0|2,0,0]=4 231 B7R1.2 NC1CNC(=O)C1 4028AC [1,0,0,1,0,0|2,0,0]=4 232 B7R1.2 O=C1CCC(I)C1 3588AC [1,0,0,1,0,0|1,0,1]=4 233 B7R1.3 CC1=CCCNC1 V9748 [1,0,0,1,0,0|2,0,0]=4 234 B7R1.3 ClC1=CCCCC1 5746AC [1,0,0,1,0,0|1,0,0]=3 235 B7R1.3 O=C1C=CCCO1 X2978 [1,0,0,1,0,0|1,0,1]=4 236 B7R1.3 O=C1C=CCOC1 6867AC [1,0,0,1,0,0|1,0,1]=4 237 B7R1.3 O=C1NCCCO1 V6397 [1,0,0,1,0,0|2,0,0]=4 238 B7R1.4 BrC1=C(Br)CCC1 U121 [1,0,0,1,0,0|2,0,0]=4 239 B7R1.4 CC1=CCOC1=O 7576AD [1,0,0,1,0,0|1,0,1]=4 240 B7R1.4 CC1CCNC1=O Y8455 [1,0,0,1,0,0|1,0,1]=4 241 B7R1.4 O=C1CCC=C1Br 8037AC [1,0,0,1,0,0|1,0,1]=4 242 B7R1.4 O=C1CCCC1Br X5623 [1,0,0,1,0,0|1,0,1]=4 243 B7R1.4 O=C1CCCC1Cl W7923 [1,0,0,1,0,0|1,0,1]=4 244 B7R1.22 CN(C=O)C1CC1 V3060 [1,0,0,1,0,0|2,0,0]=4 245 B7R1.22 COC(=O)C1CN1 6374AE [1,0,0,1,0,0|2,0,0]=4 246 B7R1.22 [C@H]1(C(=O)OC)CO1 R140 [1,0,0,1,0,0|2,0,0]=4 247 B7R1.19 CC(=O)C1(F)CC1 7062AE [1,0,0,1,0,0|1,0,1]=4 248 B7R1.20 CC(=O)CC1CC1 5730AB [1,0,0,1,0,0|0,0,1]=3 249 B9R1.7 CCCC1=NC(C)=CN1 4781AB [0,0,0,1,0,1|2,0,0]=4 250 B9R1.34 CC1CC(=O)CC(C)N1 1417AJ [0,0,0,1,0,1|1,0,1]=4 251 B9R1.34 CC1CC(=O)CC(C)N1 7189AC [0,0,0,1,0,1|1,0,1]=4 252 B9R1.34 CC1CC(=O)CC(C)O1 1555AA [0,0,0,1,0,1|0,0,2]=4 253 B9R1.34 C[C@H]1CC(=O)C[C@@H](C)N1 3929AJ [0,0,0,1,0,1|1,0,1]=4 254 B9R1.34 O=C1CC(=O)OC(=O)C1 7357AF [0,0,0,1,0,1|1,0,1]=4 255 B9R1.41 CC(=O)N1CCSC1=S 5981AL [0,0,0,1,0,1|1,1,0]=4 256 B9R1.41 NC(=O)C1CCCC1=O 6858AE [0,0,0,1,0,1|1,0,0]=3 257 B9R1.41 O=C(O)C1CSCC1=O 3411AD [0,0,0,1,0,1|2,0,0]=4 258 B9R1.66 O=C1CCCS(=O)(=O)C1 9325AD [0,0,0,1,0,1|2,0,0]=4 259 B9R1.66 O=C1CCCS(=O)(=O)N1 V9050 [0,0,0,1,0,1|2,0,0]=4 260 B9R1.3 CN1CCCC(N)C1=O 2118AJ [0,1,0,1,0,0|1,0,1]=4 261 B9R1.101 COC(=O)C(N)C1CC1 3819AJ [0,1,0,1,0,0|1,0,1]=4 262 B9R1.101 COC(=O)C(O)C1CC1 HTS033439 [0,1,0,1,0,0|0,0,2]=4 263 B9R1.110 CC(=O)N(C)C1CNC1 Y4759 [0,1,0,1,0,0|2,0,0]=4 264 B9R1.110 CN(C)C(=O)C1CNC1 3445AF [0,1,0,1,0,0|2,0,0]=4 265 B9R1.11 CNC(=O)C1CCCC1 3843AE [0,1,0,1,0,0|1,0,1]=4 266 B9R1.11 COC(=O)C1CCCC1 6360AB [0,1,0,1,0,0|1,0,1]=4 267 B9R1.11 COC(=O)C1CCCN1 7330AB [0,1,0,1,0,0|1,0,1]=4 268 B9R1.15 O=CC1=C(Cl)CCCC1 Z2040 [0,1,0,1,0,0|1,0,0]=3 269 B9R1.15 O=CC1CCCCC1=O 0719AD [0,1,0,1,0,0|0,0,1]=3 270 B9R1.33 CCCC1=C(C)SC=C1 V3396 [0,1,0,1,0,0|1,1,0]=4 271 B9R1.69 CC1CCC(C)C(=O)C1 5379AL [0,1,0,1,0,0|1,0,1]=4 272 B9R1.69 CC1CNC(=O)N(C)C1 3005AD [0,1,0,1,0,0|2,0,0]=4 273 B9R1.69 CN1CC(N)CCC1=O 2690AD [0,1,0,1,0,0|2,0,0]=4 274 B9R1.69 C[C@@H]1CN(C)C(=O)CN1 1466AA [0,1,0,1,0,0|2,0,0]=4 275 B9R1.186 COC(=O)C1(N)CCC1 W4473 [0,1,0,1,0,0|1,0,1]=4 276 B9R1.6 CC(=O)C1=CSCCN1 8361AA [0,1,0,1,0,0|1,0,1]=4 277 B9R1.6 CC(=O)C1CCCCN1 Y4871 [0,1,0,1,0,0|1,0,1]=4 278 B9R1.6 CC(=O)C1CCCNC1 9444AH [0,1,0,1,0,0|1,0,1]=4 279 B9R1.6 CC(=O)C1CCCNC1 9970AH [0,1,0,1,0,0|1,0,1]=4 280 B9R1.6 NC(=O)C1=CNCCC1 8430AE [0,1,0,1,0,0|2,0,0]=4 281 B9R1.6 O=C(O)C1=CCCNC1 8985AB [0,1,0,1,0,0|2,0,0]=4 282 B9R1.6 O=C(O)C1=CCCOC1 X8488 [0,1,0,1,0,0|2,0,0]=4 283 B9R1.35 CC(=O)N1CC[C@@H](N)C1 Z2268 [0,1,0,1,0,0|2,0,0]=4 284 B9R1.40 CC1(C)CNCCC1=O 2067AJ [0,1,0,1,0,0|1,0,1]=4 285 B9R1.40 CC1(C)COCCC1=O 9422AB [0,1,0,1,0,0|1,0,1]=4 286 B9R1.112 CC(N)C(=O)NC1CC1 Z7308 [0,1,0,1,0,0|1,0,1]=4 287 B9R2.39 O=C1CC2CCC1C2 B806 [0,0,0,2,0,0|1,0,1]=4 288 B9R2.109 O=C1CCCC2CC12 3165AL [0,0,0,2,0,0|1,0,1]=4 289 B9R0.48 CCCC(C)CCC(C)=O 6799AL [0,0,0,0,0,2|1,0,1]=4 290 B9R0.48 CCOC(=O)CNC(N)=O 7014AE [0,0,0,0,0,2|2,0,0]=4