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[0,1,1,0,0,0|2,0,0]=4 85 B9R0.4 CC(C)C[C@@H](C)OCCF 35cdf09b9ad3c0592741fffa834d03de [0,1,1,0,0,0|2,0,0]=4 86 B9R0.4 CC(C)C[C@@H](C)OCCS b61b023ef92d949a8f76665631cf1f90 [0,1,1,0,0,0|2,0,0]=4 87 B9R0.4 CC(C)C[C@H](C)OCCF d2697d39a3063c12df7bf0278b77593f [0,1,1,0,0,0|2,0,0]=4 88 B9R0.4 CC(C)C[C@H](C)OCCS 5038e9a6f781496305bc2b92d0fa4bab [0,1,1,0,0,0|2,0,0]=4 89 B9R0.4 CC(O)CC(C)NCCF ae36b5c5f983d998c13f44a1f9b50d3f [0,1,1,0,0,0|2,0,0]=4 90 B9R0.4 CC(O)CC(C)NCCO 18fd7bbc2d56fe18813d36c3680a81ca [0,1,1,0,0,0|2,0,0]=4 91 B9R0.4 CC(O)CC(C)NCCS 1a6ee0ffaf1753805e716c45dc626efc [0,1,1,0,0,0|2,0,0]=4 92 B9R0.4 CCC#CC(C)OC(C)C 0550dfba35686034e73fb83b9cc7340b [0,1,1,0,0,0|2,0,0]=4 93 B9R0.4 CCCCC(C)OC(C)C 7d0041807bb32d7526544e4be63436cc [0,1,1,0,0,0|2,0,0]=4 94 B9R0.4 CCCC[C@@H](C)OC(C)C f2902ac7b36ddb0c2d5e60097d1384f3 [0,1,1,0,0,0|2,0,0]=4 95 B9R0.4 CCCC[C@H](C)OC(C)C 8664abbc4990f641117154ef08ccd4ca [0,1,1,0,0,0|2,0,0]=4 96 B9R0.4 CCCNC(C)CC(C)O 98aedfcb0c4404029eedc1338854ce8c [0,1,1,0,0,0|2,0,0]=4 97 B9R0.4 CCCOC(C)CC(C)C 172ee567cc285579196312644f20b815 [0,1,1,0,0,0|2,0,0]=4 98 B9R0.4 CCCOC(C)OC(=O)C 6c8b7c881ac77e2983b8764698a63829 [0,1,1,0,0,0|0,0,2]=4 99 B9R0.4 CCCO[C@@H](C)CC(C)C f8368645746913c122f54b6b45a441ff [0,1,1,0,0,0|2,0,0]=4 100 B9R0.4 CCCO[C@H](C)CC(C)C 0a6cb99dd4ff2b6d95f1e6af556aca74 [0,1,1,0,0,0|2,0,0]=4 101 B9R0.4 CCOCC(C)CC(C)C f1e6c318919388e255fa90b83a186fe7 [0,1,1,0,0,0|2,0,0]=4 102 B9R0.4 CCOCC(C)OC(C)C 4175b85f8b44fb6562ad278f1ae43f33 [0,1,1,0,0,0|1,0,0]=3 103 B9R0.4 CCOCN(C)CC(C)O fb86ddd17e1342742d1721083b988d09 [0,1,1,0,0,0|2,0,0]=4 104 B9R0.4 CCOCN(C)C[C@H](C)O 8fa880de729ab278f55206f8987aeff5 [0,1,1,0,0,0|2,0,0]=4 105 B9R0.4 COCCC(C)OC(C)C f127563ed4a2008803515bc99625bf8f [0,1,1,0,0,0|2,0,0]=4 106 B9R0.4 COCNC(C)CC(C)O b72cc638063dacd99040bbb3ee8f0c35 [0,1,1,0,0,0|2,0,0]=4 107 B9R0.4 COCOC(C)CC(C)C 9b6498a6da082c4c7492da1a20caa2ea [0,1,1,0,0,0|2,0,0]=4 108 B9R0.4 COCOC(C)OC(=O)C c73ebf630a8c2a58943bc42724d4d8d9 [0,1,1,0,0,0|0,0,2]=4 109 B9R0.4 COCO[C@@H](C)CC(C)C 1088886d32c617c4cfb3494bb3be2b73 [0,1,1,0,0,0|2,0,0]=4 110 B9R0.4 COCO[C@H](C)CC(C)C f429d264616cadbfefc32b1ea968d55d [0,1,1,0,0,0|2,0,0]=4 111 B9R0.4 CSCCC(C)OC(C)C eaddea528e3549d504874d9a0e18465f [0,1,1,0,0,0|2,0,0]=4 112 B9R0.4 CSCNC(C)CC(C)O 2b66378552c5acc5c37c9b56a8e745d5 [0,1,1,0,0,0|2,0,0]=4 113 B9R0.4 CSCOC(C)CC(C)C 70851217e2007512906574c16d2868f3 [0,1,1,0,0,0|2,0,0]=4 114 B9R0.4 CSCO[C@@H](C)CC(C)C 7db7f2ef4a39ec1f9d885941b4e879f5 [0,1,1,0,0,0|2,0,0]=4 115 B9R0.4 CSCO[C@H](C)CC(C)C 9b293636854abd7f9ffc3f6cdf715cfd [0,1,1,0,0,0|2,0,0]=4 116 B9R0.14 CCCC(CC)OC(C)C c50b63b5afd43bc9dd207a7943b338ed [0,1,1,0,0,0|2,0,0]=4 117 B9R0.14 CCC[C@@H](CC)OC(C)C a39a86427e11d72d6f7273e04c6ecbea [0,1,1,0,0,0|2,0,0]=4 118 B9R0.23 CCC(=O)C(C)OC(C)C 6708ce163703160d902bfc07165cab40 [0,1,1,0,0,0|2,0,0]=4 119 B9R0.23 CCC(C)C(C)OC(C)C 2a47b835e7d121cbb13f34c893430bcb [0,1,1,0,0,0|2,0,0]=4 120 B9R0.23 CCN(C)C(C)CC(C)O 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[0,1,1,0,0,0|2,0,0]=4 132 B9R0.34 CCCC(C)N[C@H](C)CO 5a544ae6ee20df77e2fddc7612154f1b [0,1,1,0,0,0|2,0,0]=4 133 B9R0.34 CCCC(C)OC(C)C#N 873bf56c319ee3bbbebe15908d0c6b45 [0,1,1,0,0,0|2,0,0]=4 134 B9R0.34 CCCC(C)OC(C)C=O daa250189bd969a5f64dfbc8ab581207 [0,1,1,0,0,0|1,0,1]=4 135 B9R0.34 CCCC(C)OC(C)CC a2c3b37d81be4a4c59e7d3d69c136ea1 [0,1,1,0,0,0|2,0,0]=4 136 B9R0.34 CCCC(C)OC(C)CF 6990d98a095eb02aef283cff3f97b7b4 [0,1,1,0,0,0|2,0,0]=4 137 B9R0.34 CCCC(C)OC(C)CS 1629a90f6a95bd2fcff28eb9d1ce8bfc [0,1,1,0,0,0|1,1,0]=4 138 B9R0.34 CCCC(C)O[C@@H](C)CC f9e5d156d11aa12e2c36058db64925b7 [0,1,1,0,0,0|2,0,0]=4 139 B9R0.34 CCCC(C)O[C@H](C)C=O b8de606158b860c81fe72374e1d555f3 [0,1,1,0,0,0|1,0,1]=4 140 B9R0.34 CCCC(C)O[C@H](C)CC bf8676e2cd59a3856b4603e93eac3156 [0,1,1,0,0,0|2,0,0]=4 141 B9R0.34 CCCC(C)O[C@H](C)CS 9a1f31b022389f911ddef761e65baea7 [0,1,1,0,0,0|1,1,0]=4 142 B9R0.34 CCC[C@@H](C)OC(C)C#N c57b0bfa8d2712540d5b6ddb07bf0ec1 [0,1,1,0,0,0|2,0,0]=4 143 B9R0.34 CCC[C@@H](C)OC(C)C=O 1bce1d2e6c195c4eb320e943394be0de [0,1,1,0,0,0|1,0,1]=4 144 B9R0.34 CCC[C@@H](C)OC(C)CC ab525069ca52c30f6700f52596c0c419 [0,1,1,0,0,0|2,0,0]=4 145 B9R0.34 CCC[C@@H](C)O[C@H](C)C=O eabc786dfb91bb3793575b2f2a9a66e4 [0,1,1,0,0,0|1,0,1]=4 146 B9R0.34 CCC[C@H](C)NC(C)CO ad55917cb5ce1236d23db4754b17fe8d [0,1,1,0,0,0|2,0,0]=4 147 B9R0.34 CCC[C@H](C)N[C@@H](C)CO 75c6dfae577b49818c81dc68b6bb5836 [0,1,1,0,0,0|2,0,0]=4 148 B9R0.34 CCC[C@H](C)N[C@H](C)CO 2f2589b097c3a35f7ca59e5aba74fde7 [0,1,1,0,0,0|2,0,0]=4 149 B9R0.34 CCC[C@H](C)OC(C)C#N 0000c124401e0561c6775129e6726d12 [0,1,1,0,0,0|2,0,0]=4 150 B9R0.34 CCC[C@H](C)OC(C)C=O 4077e235063d1423f053353f1b4acd6b [0,1,1,0,0,0|1,0,1]=4 151 B9R0.34 CCC[C@H](C)OC(C)CC ad328d20057bedeb41907757091212bf [0,1,1,0,0,0|2,0,0]=4 152 B9R0.34 CCC[C@H](C)O[C@H](C)C=O 24eb961676ef2f8d752e620686c5118c [0,1,1,0,0,0|1,0,1]=4 153 B9R0.34 CCOC(C)CC(C)OC 75f20277cb944ba5164a781b25ba2a9e [0,1,1,0,0,0|1,0,0]=3 154 B9R0.34 CCOC(C)CN(C)CO 87cd0c6e2fcd7bb8782b569d33e00af4 [0,1,1,0,0,0|2,0,0]=4 155 B9R0.34 COC(C)CC(C)OCF f65e44ddf1b500b25b9787120a6c3365 [0,1,1,0,0,0|2,0,0]=4 156 B9R0.44 CCOC(C)CC(C)(C)C ac5556f9675833c8530528d0c78a9983 [0,1,1,0,0,0|2,0,0]=4 157 B9R0.44 CCOC(C)CC(C)(C)S c3ceb85f6bafd03ecceb01ee39dd5983 [0,1,1,0,0,0|1,1,0]=4 158 B9R0.53 CC(=O)OC(C)OC(C)C 15386f8b89c66ca0048e9c86cc06f7a3 [0,1,1,0,0,0|0,0,2]=4 159 B9R0.53 CC(C)CC(C)OC(C)C f4225fa3036599cd338e783b8ac82773 [0,1,1,0,0,0|2,0,0]=4 160 B9R0.53 CC(C)C[C@@H](C)OC(C)C 0f7a0e0048e2fba2905da6aa990a5338 [0,1,1,0,0,0|2,0,0]=4 161 B9R0.53 CC(C)C[C@H](C)OC(C)C 202a7fcc4ce6435b48c3d4a14394bda1 [0,1,1,0,0,0|2,0,0]=4 162 B9R0.53 CC(O)CC(C)NC(C)C 55ac7fbe1c7c61e2312d8d1392277ea7 [0,1,1,0,0,0|2,0,0]=4 163 B11R1.34 CC1CC(CC(O1)C)OCF 2402fc1d9a2b2bbbe05489c8f4e8bc55 [0,2,0,0,0,0|2,0,0]=4 164 B11R1.34 CCNC1C[C@H](O[C@H](C1)C)C 7851c680752bc9f73f8c8295652aba2f [0,2,0,0,0,0|2,0,0]=4 165 B11R1.34 CCN[C@@H]1C[C@H](O[C@H](C1)C)C 6bdff7eb901475e8c2f79871e9248d3d [0,2,0,0,0,0|2,0,0]=4 166 B11R1.34 CCN[C@H]1C[C@H](O[C@H](C1)C)C d789bc822075ad8d448123d0cfb24f3c [0,2,0,0,0,0|2,0,0]=4 167 B11R1.34 CCOC1CC(OC(C1)C)C 1deaebf1598b67799bb26e4aa016f06f [0,2,0,0,0,0|2,0,0]=4 168 B11R1.34 CCOC1C[C@H](O[C@H](C1)C)C 4832b237c58c24a9ef1dbd3364f55ac7 [0,2,0,0,0,0|2,0,0]=4 169 B11R1.34 CCO[C@@H]1C[C@H](O[C@H](C1)C)C 49fb30a3324b3bceb08eefef0f7c247f [0,2,0,0,0,0|2,0,0]=4 170 B11R1.34 CCO[C@H]1C[C@H](O[C@H](C1)C)C bf2ef12e63d23e02018240c8aa5e01b4 [0,2,0,0,0,0|2,0,0]=4 171 B11R1.34 C[C@@H]1CC(C[C@@H](O1)C)NCF 58f9b3546311aa78c5c50a97076dcb56 [0,2,0,0,0,0|2,0,0]=4 172 B11R1.34 C[C@@H]1CC(C[C@@H](O1)C)NCO 68174be463e432c9824657fe749ea98c [0,2,0,0,0,0|2,0,0]=4 173 B11R1.34 C[C@@H]1CC(C[C@@H](O1)C)OCF 0b1fe7e036c956f68676d1b188e761c2 [0,2,0,0,0,0|2,0,0]=4 174 B11R1.34 C[C@@H]1C[C@@H](C[C@@H](O1)C)NCF 86fd121b10245d04af00a7c1f3ab6082 [0,2,0,0,0,0|2,0,0]=4 175 B11R1.34 C[C@@H]1C[C@@H](C[C@@H](O1)C)NCO f35816050c01c91eacecbb80ef0f6771 [0,2,0,0,0,0|2,0,0]=4 176 B11R1.34 C[C@@H]1C[C@@H](C[C@@H](O1)C)OCF 9a6cc95fbc6b17721095188d97261810 [0,2,0,0,0,0|2,0,0]=4 177 B11R1.34 C[C@@H]1C[C@H](C[C@@H](O1)C)NCF aa8fb7a46a8d9656d290c5fe1dbbf4ba [0,2,0,0,0,0|2,0,0]=4 178 B11R1.34 C[C@@H]1C[C@H](C[C@@H](O1)C)NCO 372ceace41c397adf6ff16dcce2f20c8 [0,2,0,0,0,0|2,0,0]=4 179 B11R1.34 C[C@@H]1C[C@H](C[C@@H](O1)C)OCF aef608bc7db85d62e967e5cde2b25d7d [0,2,0,0,0,0|2,0,0]=4 180 B9R1.7 CC1CC(CO1)OCF 2338a0a6f462ae47636a9e96bd3855b6 [0,0,1,1,0,0|2,0,0]=4 181 B9R1.7 CCNC1CCC(C1)O 628356fc89e19ef9e05dade55232a5bb [0,0,1,1,0,0|2,0,0]=4 182 B9R1.7 CCN[C@@H]1CC[C@@H](C1)O 7c8c53e111793be80ad4cc673241d07f [0,0,1,1,0,0|2,0,0]=4 183 B9R1.7 CCN[C@@H]1CC[C@H](C1)O ff712e2d7c8949b18071ff107f2beb24 [0,0,1,1,0,0|2,0,0]=4 184 B9R1.7 CCN[C@H]1CC[C@@H](C1)O 2a978cf4fc6aa50fa68ee6171c076414 [0,0,1,1,0,0|2,0,0]=4 185 B9R1.7 CCN[C@H]1CC[C@H](C1)O 32fb3339fe7260cc6eb8ef4293a46d46 [0,0,1,1,0,0|2,0,0]=4 186 B9R1.7 CCOC1CCC(C1)C 2e79cb3e7d53d70b7a3a49594f9b7572 [0,0,1,1,0,0|2,0,0]=4 187 B9R1.7 CCOC1CCC(C1)F cb7366f0f3c88496c0dd299220151677 [0,0,1,1,0,0|2,0,0]=4 188 B9R1.7 CCOC1COC(C1)C 3e91a0d24859f42f4cfd5c657a58260e [0,0,1,1,0,0|1,0,0]=3 189 B9R1.13 CC(C)OC1CCCC1 215fe9a68b5f8765bce60b7c8e66fcb4 [0,0,1,1,0,0|2,0,0]=4 190 B9R1.13 CC(C)OC1CCCO1 af2408e49f3115bccbf657c1fe05b160 [0,0,1,1,0,0|1,0,0]=3 191 B9R1.53 CC1CC(C1)OC(C)C cbfbaca0f834a355b53f5ad5075da30c [0,0,1,1,0,0|2,0,0]=4 192 B9R1.75 CCCC(C)OC1CC1 b1f4637142c30b48a76537455d4b0138 [0,0,1,1,0,0|2,0,0]=4 193 B9R1.75 CCC[C@@H](C)OC1CC1 0dcc6a082d7178b7b1199efbdbf4cc88 [0,0,1,1,0,0|2,0,0]=4 194 B9R1.75 CCC[C@H](C)OC1CC1 9066b0ec22bca4db13acf59cd248c738 [0,0,1,1,0,0|2,0,0]=4 195 B9R1.75 CCOC(C)CC1CC1 0f29d538d0c6398a5b46e339b080cd7b [0,0,1,1,0,0|2,0,0]=4 196 B9R1.136 CCNC1CC(C1)(C)O 5d74f0f8f3e68ab8965524bade91e196 [0,0,1,1,0,0|2,0,0]=4 197 B9R1.136 CCN[C@H]1C[C@@](C1)(C)O 40ef3c077e108f519e8586541e299518 [0,0,1,1,0,0|2,0,0]=4 198 B9R1.136 CCOC1CC(C1)(C)C 6eaa2e24a99306a668916482c3dc98f5 [0,0,1,1,0,0|2,0,0]=4 199 B9R1.137 CC(C)OC(C)C1CC1 3e49151bdb3def7aa0bc5d3199cf019d [0,0,1,1,0,0|2,0,0]=4 200 B9R1.137 CC(C)O[C@@H](C)C1CC1 67003d2d03b1551515c80fc9b091246a [0,0,1,1,0,0|2,0,0]=4 201 B9R1.137 CC(C)O[C@H](C)C1CC1 cf4e7e2b16b086287fb3f29bcb3ae10b [0,0,1,1,0,0|2,0,0]=4 202 B9R1.177 CCN[C@@]1(C[C@H](C1)O)C 9b2bca8e6123c865184df3ba0ae9a495 [0,0,1,1,0,0|2,0,0]=4 203 B7R0.5 CC(C)C(C)OCF 80276d10e0b66e37d961ea14d47b0969 [0,0,1,0,1,0|2,0,0]=4 204 B7R0.5 CC(C)[C@@H](C)OCF 424651f56e9c7a59f079f55fb4486da5 [0,0,1,0,1,0|2,0,0]=4 205 B7R0.5 CC(C)[C@H](C)OCF 6f8956e151353b4df44e100c25e804da [0,0,1,0,1,0|2,0,0]=4 206 B7R0.5 CC(O)C(C)NCF bf97ad3ecde72b9ce907773444f2ac7d [0,0,1,0,1,0|2,0,0]=4 207 B7R0.5 CC(O)C(C)NCO f5ad7a8ea3ea402c77cd7eb338910db7 [0,0,1,0,1,0|2,0,0]=4 208 B7R0.5 CC(S)C(C)OCF c7099e5b1e3a4f16ef567413c6077b3f [0,0,1,0,1,0|1,1,0]=4 209 B7R0.5 CCNC(C)C(C)C 6ff6c70a41ff0de8b891e50966ef9339 [0,0,1,0,1,0|2,0,0]=4 210 B7R0.5 CCNC(C)C(C)O 392d96cf423ba6d8f5882a82ddace883 [0,0,1,0,1,0|1,0,0]=3 211 B7R0.5 CCN[C@@H](C)C(C)C 54d4aa17c71caa18f971b7cc220c5c61 [0,0,1,0,1,0|2,0,0]=4 212 B7R0.5 CCN[C@H](C)C(C)C 26ce300d7da809c460e59e21a4343853 [0,0,1,0,1,0|2,0,0]=4 213 B7R0.5 CCOC(C)C(=O)C 04432572fe22b740e86ca5259d0a3bbf [0,0,1,0,1,0|0,0,2]=4 214 B7R0.5 CCOC(C)C(=O)O 1968a3bf4eb23bbce80f27001c40e3aa [0,0,1,0,1,0|1,0,1]=4 215 B7R0.5 CCOC(C)C(C)C bb142acd6bd0d3536405c513b06eea53 [0,0,1,0,1,0|1,0,0]=3 216 B7R0.5 CCOC(C)C(C)S e76d621ef1113c6e6d1e86237ce3aa29 [0,0,1,0,1,0|0,1,0]=3 217 B7R0.5 CCOC(C)C(F)F 6f25fcdcd396a613a3486f9e7e152366 [0,0,1,0,1,0|2,0,0]=4 218 B7R0.5 CCO[C@@H](C)C(=O)O f2b03ca68b0ab7d2700716b8fff09b6d [0,0,1,0,1,0|1,0,1]=4 219 B7R0.5 CCO[C@@H](C)C(C)C 730945e6bcfbc2b11622279903eef1de [0,0,1,0,1,0|1,0,0]=3 220 B7R0.5 CCO[C@H](C)C(=O)O 156314018bee2c048aecc9ba30245a68 [0,0,1,0,1,0|1,0,1]=4 221 B7R0.5 CCO[C@H](C)C(C)C 443e2922f1cca86413940e6d728bd16d [0,0,1,0,1,0|1,0,0]=3 222 B9R0.48 CC(C)OCC(C)OCF 12fc841844558e2587b40cbc3444eae5 [0,0,1,0,0,1|2,0,0]=4 223 B9R0.48 CC(C)OC[C@H](C)OCF ce77614094675790f8095b76a0c7ed7a [0,0,1,0,0,1|2,0,0]=4 224 B9R0.48 CCCC(C)COC(C)C 6f61b5f138dfbd6067084ccc576d7217 [0,0,1,0,0,1|2,0,0]=4 225 B9R0.48 CCCC(C)NCC(C)O 47ca46de854bc307afa51b274d820e99 [0,0,1,0,0,1|2,0,0]=4 226 B9R0.48 CCCC(C)NC[C@@H](C)O dd3e1e5a99d06357b215baaa3e655fbd [0,0,1,0,0,1|2,0,0]=4 227 B9R0.48 CCCC(C)NC[C@H](C)O 9331ecd30e898992036bbad5faca0440 [0,0,1,0,0,1|2,0,0]=4 228 B9R0.48 CCCC(C)OCC(C)C 5be224d9722cec7f07e97282baf3a2b2 [0,0,1,0,0,1|2,0,0]=4 229 B9R0.48 CCCC(C)OCC(C)F b3a225377e32d1b250f9262699c6f119 [0,0,1,0,0,1|2,0,0]=4 230 B9R0.48 CCCC(C)OCC(C)S d3034c5e31db5713dbe6f459423f94d7 [0,0,1,0,0,1|1,1,0]=4 231 B9R0.48 CCCC(C)OC[C@@H](C)F 9bd1fd92723fed4710945b5373a22940 [0,0,1,0,0,1|2,0,0]=4 232 B9R0.48 CCCC(C)OC[C@H](C)F d026e085ff493f00380d10ee8bd7fa5f [0,0,1,0,0,1|2,0,0]=4 233 B9R0.48 CCC[C@@H](C)OCC(C)C ebec32e182b28eaf84b2474f2392075c [0,0,1,0,0,1|2,0,0]=4 234 B9R0.48 CCC[C@H](C)NCC(C)O 564c6afcec40669a3c18d484e9d625f8 [0,0,1,0,0,1|2,0,0]=4 235 B9R0.48 CCC[C@H](C)NC[C@@H](C)O f8f56b630d6b9084881f1dc1c9f6ac45 [0,0,1,0,0,1|2,0,0]=4 236 B9R0.48 CCC[C@H](C)NC[C@H](C)O a434bea59043bb2c05076edff7a7581d [0,0,1,0,0,1|2,0,0]=4 237 B9R0.48 CCC[C@H](C)OCC(C)C 2682183614895a777d22e8d5943637b5 [0,0,1,0,0,1|2,0,0]=4 238 B9R0.48 CCOC(C)CCC(C)C 238b79e992f85c5e82c5f29d7dc01557 [0,0,1,0,0,1|2,0,0]=4 239 B9R0.48 CCOC(C)CNC(C)C 4dbf7823259386a9c8bbf99fcf07ed5a [0,0,1,0,0,1|2,0,0]=4 240 B9R0.48 CCOC(C)COC(=O)C 9e93393c063eba810753fb5603d4fc7e [0,0,1,0,0,1|0,0,2]=4 241 B9R0.48 CCOC(C)COC(C)C e07f597429e2078ea5e59e54a6fef850 [0,0,1,0,0,1|1,0,0]=3 242 B9R0.48 CCO[C@@H](C)COC(C)C e2051b844f248f8adf76905a514be0bd [0,0,1,0,0,1|1,0,0]=3