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[0,1,0,0,0,0|3,0,0]=4 57 B10R1.31 NC(=O)[C@@H]1CCN(C1)CO 527558bc986fef74e7d25feff82df70e [0,1,0,0,0,0|3,0,0]=4 58 B10R1.31 NC(=O)[C@H]1CCN(C1)CO 45b672d6612e5103021a5c820ea4ec62 [0,1,0,0,0,0|3,0,0]=4 59 B10R1.31 O=C(O)C1CCN(C1)CF ca49f253d96e894c5c6ee2f9d13c4de5 [0,1,0,0,0,0|3,0,0]=4 60 B10R1.31 O=C(O)C1CCN(C1)CO 9300646053b94cc353f09fdc9345497f [0,1,0,0,0,0|2,0,0]=3 61 B10R1.31 O=C(O)[C@@H]1CCN(C1)CF 2f3d6ca490a773ab169d9af98e7ed460 [0,1,0,0,0,0|3,0,0]=4 62 B10R1.31 O=C(O)[C@@H]1CCN(C1)CO bf06be6b9efe2069a6495bd2c9a12715 [0,1,0,0,0,0|2,0,0]=3 63 B10R1.31 O=C(O)[C@H]1CCN(C1)CF 95efba9fbb33e72c433e3d9c27f2b450 [0,1,0,0,0,0|3,0,0]=4 64 B10R1.31 O=C(O)[C@H]1CCN(C1)CO d23a4c9f680bddafc9f654313a160825 [0,1,0,0,0,0|2,0,0]=3 65 B10R1.58 CC(=O)N1CC(C(C1)Br)O 952c5acc190ae9318a2b688a56b51bdd [0,1,0,0,0,0|3,0,0]=4 66 B10R1.58 CC(=O)N1CC(C(C1)O)C 3f93682b3b4b4dd42a81bc52163b0f4b [0,1,0,0,0,0|3,0,0]=4 67 B10R1.58 CC(=O)N1C[C@@H]([C@H](C1)O)O f5128df99177ffcf3058ba22e2f44609 [0,1,0,0,0,0|3,0,0]=4 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B8R0.8 C#CCOC(C)C(=O)O 1adaa60fa476d6dc220f161b33abd609 [0,0,1,0,0,0|2,0,1]=4 91 B8R0.8 C#CCO[C@@H](C)C(=O)O 79781b9b2e6b822211278354159e2687 [0,0,1,0,0,0|2,0,1]=4 92 B8R0.8 C#CCO[C@H](C)C(=O)O 19885536196a71978196625cd8e9f2d3 [0,0,1,0,0,0|2,0,1]=4 93 B8R0.8 C=CCNC(C)C(=O)N d23d3e7d17b048913bbef97e5f4447f5 [0,0,1,0,0,0|2,0,1]=4 94 B8R0.8 C=CCNC(C)C(=O)O 4027c27acb0fdf3aaf8b355f1a408423 [0,0,1,0,0,0|1,0,1]=3 95 B8R0.8 C=CCNC(O)C(=O)O 0ecf31d72e8de05d5ba28c50354b10f9 [0,0,1,0,0,0|2,0,1]=4 96 B8R0.8 C=CCN[C@@H](C)C(=O)N 14e80c0d6381e9fde93b9866d76ae313 [0,0,1,0,0,0|2,0,1]=4 97 B8R0.8 C=CCN[C@@H](C)C(=O)O a2a3215161cedaeb69cecc40398800bc [0,0,1,0,0,0|1,0,1]=3 98 B8R0.8 C=CCN[C@H](C)C(=O)N eb3c3df88a54e711810c3aab2f1130f0 [0,0,1,0,0,0|2,0,1]=4 99 B8R0.8 C=CCN[C@H](C)C(=O)O 9c9e167784ec1fd5265aa094a42d05d8 [0,0,1,0,0,0|1,0,1]=3 100 B8R0.8 C=CCOC(C)C(=O)O 950b3a8c28d6da5c53fb492d3fdc807b [0,0,1,0,0,0|2,0,1]=4 101 B8R0.8 C=CCO[C@@H](C)C(=O)O 25467a59582a2906ce4ce45146ee1287 [0,0,1,0,0,0|2,0,1]=4 102 B8R0.8 C=CCO[C@H](C)C(=O)O 0b91c4aaff97cd63715f015c1d0c9e20 [0,0,1,0,0,0|2,0,1]=4 103 B8R0.8 CC(=O)C(=O)NCCO 68aa5fa37dd1955ac40b92420671c9c7 [0,0,1,0,0,0|2,0,1]=4 104 B8R0.8 CC(=O)C(C)NCC#N 456b6713f365a1b6642d314cad0263c9 [0,0,1,0,0,0|2,0,1]=4 105 B8R0.8 CC(=O)C(C)NCCBr 3210bd9423ad5a5155327281550f5f25 [0,0,1,0,0,0|2,0,0]=3 106 B8R0.8 CC(=O)C(C)NCCF ddfa9965dd9a8b7bc370014a7270bc24 [0,0,1,0,0,0|2,0,0]=3 107 B8R0.8 CC(=O)C(C)NCCI a2fabb97dc000dda6bc097c4a9247332 [0,0,1,0,0,0|2,0,0]=3 108 B8R0.8 CC(=O)C(C)NCCO 2aeb3f0703a454ddc9d76e39bdb7fb76 [0,0,1,0,0,0|1,0,0]=2 109 B8R0.8 CC(=O)C(C)NCCS ec2fcb162cf9fe04c53dc8de339e343c [0,0,1,0,0,0|1,1,0]=3 110 B8R0.8 CC(=O)C(C)OCCF 2400feff3997df18334864838c96453f [0,0,1,0,0,0|3,0,0]=4 111 B8R0.8 CC(=O)C(C)OCCS 8423f1e18d91a46ab22e3647b29e1625 [0,0,1,0,0,0|2,1,0]=4 112 B8R0.8 CC(=O)N(C)CCCO f1b608083519b3981f39547632d628d0 [0,0,1,0,0,0|3,0,0]=4 113 B8R0.8 CC(C)C(C)NCCO 1619d105daf7c51230c4b6257a710c36 [0,0,1,0,0,0|2,0,1]=4 114 B8R0.8 CC(C)[C@@H](C)NCCO 93e06873f6ef60f625c37b13a6ebb5e9 [0,0,1,0,0,0|2,0,1]=4 115 B8R0.8 CC(C)[C@H](C)NCCO 4837ecbe37600d9a357778ac43fef7f9 [0,0,1,0,0,0|2,0,1]=4 116 B8R0.8 CC(CNCF)C(=O)O 81c40ac360e7f6cce7aa3313199a6d5d [0,0,1,0,0,0|3,0,0]=4 117 B8R0.8 CC(CNCO)C(=O)O e22ad5b294faf2e87974a8321cb31821 [0,0,1,0,0,0|2,0,0]=3 118 B8R0.8 CC(COCF)C(=O)O 415e8d45727d24f32c3b9f930225f08d [0,0,1,0,0,0|3,0,0]=4 119 B8R0.8 CC(NCC#N)C(=O)N 87d01f4fc015ed09a24a5e81b41b1acb [0,0,1,0,0,0|2,0,1]=4 120 B8R0.8 CC(NCC#N)C(=O)O 7e0caa8ab91252d82a8f6abf878f244d [0,0,1,0,0,0|1,0,1]=3 121 B8R0.8 CC(NCC=O)C(=O)N 1d42c305ffe98b6316c972cab7d333c6 [0,0,1,0,0,0|1,0,2]=4 122 B8R0.8 CC(NCC=O)C(=O)O 68b69b45ee2126dd65ee50d2916637e9 [0,0,1,0,0,0|0,0,2]=3 123 B8R0.8 CC(NCCBr)C(=O)N e1b4730b5fd9d92a2dbd4fe63157cabb [0,0,1,0,0,0|2,0,0]=3 124 B8R0.8 CC(NCCF)C(=O)N 953b8e834ec847c492e06ef848bdb316 [0,0,1,0,0,0|2,0,0]=3 125 B8R0.8 CC(NCCF)C(=O)O 826059aa4ee48cb4b37668249087cac6 [0,0,1,0,0,0|1,0,0]=2 126 B8R0.8 CC(NCCI)C(=O)N 7681945bc88c2670e6d790ebc46806ce [0,0,1,0,0,0|2,0,0]=3 127 B8R0.8 CC(NCCI)C(=O)O dee732c464e42a2d1492bb4c77f9d546 [0,0,1,0,0,0|1,0,0]=2 128 B8R0.8 CC(NCCO)C(=O)N 013333cfcf1fc8f500c98b282dda89b3 [0,0,1,0,0,0|1,0,0]=2 129 B8R0.8 CC(NCCO)C(=O)O d02ed597872d2f4c546187db89f2f220 [0,0,1,0,0,0|0,0,0]=1 130 B8R0.8 CC(NCCS)C(=O)N 572f0555a75dff8d0ea622872a8a561f [0,0,1,0,0,0|1,1,0]=3 131 B8R0.8 CC(NCCS)C(=O)O c86172ae088a1a89a361e8a05cbb9a1a [0,0,1,0,0,0|0,1,0]=2 132 B8R0.8 CC(O)C(C)NCCF 9cfe548625b157e19c5439799990e702 [0,0,1,0,0,0|2,0,1]=4 133 B8R0.8 CC(O)C(C)NCCO 469f70f9bc699e5eb472875791d52d81 [0,0,1,0,0,0|1,0,1]=3 134 B8R0.8 CC(O)C(C)NCCS e8cacdd9ca1fd87fea75773d8f3ca780 [0,0,1,0,0,0|1,1,1]=4 135 B8R0.8 CC(OCC#N)C(=O)O 9e60d39e5d4e06a279fadb11fff707cb [0,0,1,0,0,0|2,0,1]=4 136 B8R0.8 CC(OCC=O)C(=O)O f7d574d73325531577cc3be3ba579ff3 [0,0,1,0,0,0|1,0,2]=4 137 B8R0.8 CC(OCCF)C(=O)N 05325469e5b636b3a46e12613a8ebafe [0,0,1,0,0,0|3,0,0]=4 138 B8R0.8 CC(OCCF)C(=O)O 6fd5e9a19867c7867b238e7d51a1feb1 [0,0,1,0,0,0|2,0,0]=3 139 B8R0.8 CC(OCCS)C(=O)N becba3e4bd5ddd0256495d0b8cb5436f [0,0,1,0,0,0|2,1,0]=4 140 B8R0.8 CC(OCCS)C(=O)O c6314cdd016da9ce267602a4c2560a24 [0,0,1,0,0,0|1,1,0]=3 141 B8R0.8 CCCNC(C)C(=O)C 6c20f55484fcd603f7867a7e61cb3d7e [0,0,1,0,0,0|2,0,0]=3 142 B8R0.8 CCCNC(C)C(=O)N b2fc625c38ab8c709841d5c7372d4adf [0,0,1,0,0,0|2,0,0]=3 143 B8R0.8 CCCNC(C)C(=O)O 0bb3e38e8c1f88931a7fe4405f55b48f [0,0,1,0,0,0|1,0,0]=2 144 B8R0.8 CCCNC(C)C(C)O d6d39af3e50c17151ef5fe5638b0cdf5 [0,0,1,0,0,0|2,0,1]=4 145 B8R0.8 CCCNC(F)C(=O)N 887433dddf04b7504891cb2e153136a8 [0,0,1,0,0,0|3,0,0]=4 146 B8R0.8 CCCNC(O)C(=O)O cc97d4d167b9765bc7e9641f2f876d2e [0,0,1,0,0,0|2,0,0]=3 147 B8R0.8 CCCN[C@@H](C)C(=O)N 02dd18b86b56ba975cc40a36af64e278 [0,0,1,0,0,0|2,0,0]=3 148 B8R0.8 CCCN[C@@H](C)C(=O)O ef0370d06100564dc30ac92abf332f2f [0,0,1,0,0,0|1,0,0]=2 149 B8R0.8 CCCN[C@H](C)C(=O)N 99c67abc53ca408bd7a07e11216e0931 [0,0,1,0,0,0|2,0,0]=3 150 B8R0.8 CCCN[C@H](C)C(=O)O a8f2478751dbbc6b16132b4c2221ee6f [0,0,1,0,0,0|1,0,0]=2 151 B8R0.8 CCCOC(C)C(=O)C f2ac291285b506c3aa995ed18a49b95f [0,0,1,0,0,0|3,0,0]=4 152 B8R0.8 CCCOC(C)C(=O)N 960017c2975c35a65e9a919d09986bae [0,0,1,0,0,0|3,0,0]=4 153 B8R0.8 CCCOC(C)C(=O)O 1322f7b5e7c49e969524d97c6c86e731 [0,0,1,0,0,0|2,0,0]=3 154 B8R0.8 CCCO[C@@H](C)C(=O)N b8c1d5a3f29f788c88f92112d4a6c2ab [0,0,1,0,0,0|3,0,0]=4 155 B8R0.8 CCCO[C@@H](C)C(=O)O 6d34f6dc5dea70a72e909784584aa3d0 [0,0,1,0,0,0|2,0,0]=3 156 B8R0.8 CCCO[C@H](C)C(=O)N ca342d08f32f80afdbcc627d7b3ff5e4 [0,0,1,0,0,0|3,0,0]=4 157 B8R0.8 CCCO[C@H](C)C(=O)O c80966cb853c5464154df7c1b20e2fad [0,0,1,0,0,0|2,0,0]=3 158 B8R0.8 CCNCC(C)C(=O)O f1d53d3e850c3e5f7eacfd1722a00821 [0,0,1,0,0,0|3,0,0]=4 159 B8R0.8 CCNC[C@@H](C)C(=O)O c248e05b45d9e657c31f93c9072982c9 [0,0,1,0,0,0|3,0,0]=4 160 B8R0.8 CCNC[C@H](C)C(=O)O 0c2e6d5b0da6964440e6e3ec89c9de07 [0,0,1,0,0,0|3,0,0]=4 161 B8R0.8 CCOCC(C)C(=O)O c058fb39790cebd08b409e3f0067a53c [0,0,1,0,0,0|3,0,0]=4 162 B8R0.8 CCOC[C@@H](C)C(=O)O caa5ba1722b2330e21dcd6c456bf8574 [0,0,1,0,0,0|3,0,0]=4 163 B8R0.8 CCOC[C@H](C)C(=O)O 3f7f39bbd0ce3dcf45d784eca89b738a [0,0,1,0,0,0|3,0,0]=4 164 B8R0.8 COCNC(C)C(=O)N b4b2ce7b06452726f40d29c12e1e2d45 [0,0,1,0,0,0|3,0,0]=4 165 B8R0.8 COCNC(C)C(=O)O e8a36179375a090804a3295d43a4edc8 [0,0,1,0,0,0|2,0,0]=3 166 B8R0.8 COCNC(O)C(=O)O c63f3dcbd9e54c8057b6fa82b7adfdd8 [0,0,1,0,0,0|3,0,0]=4 167 B8R0.8 COCN[C@@H](C)C(=O)N 8b55f42ca22daaaacb13727c1eeadb78 [0,0,1,0,0,0|3,0,0]=4 168 B8R0.8 COCN[C@@H](C)C(=O)O 97f34448d198c44b13a9de86cde207b4 [0,0,1,0,0,0|2,0,0]=3 169 B8R0.8 COCN[C@H](C)C(=O)N eb2e7ecb7d7c9931c4aafa21b2d3cf84 [0,0,1,0,0,0|3,0,0]=4 170 B8R0.8 COCN[C@H](C)C(=O)O aa63150e151b1d92e3b97d3faa08a6a0 [0,0,1,0,0,0|2,0,0]=3 171 B8R0.8 CSCNC(C)C(=O)N 09e6b1dc62b63e7473b01cdc2aa52418 [0,0,1,0,0,0|3,0,0]=4 172 B8R0.8 CSCNC(C)C(=O)O ea815da10516e5245f4fabfad2c1e236 [0,0,1,0,0,0|2,0,0]=3 173 B8R0.8 CSCNC(O)C(=O)O 1719d5d27357fbe544a3b6bde16529a0 [0,0,1,0,0,0|3,0,0]=4 174 B8R0.8 CSCN[C@@H](C)C(=O)N b433645c30d8ea8eea7e0c7ef027def3 [0,0,1,0,0,0|3,0,0]=4 175 B8R0.8 CSCN[C@@H](C)C(=O)O 7e48161f385aeb967c83dfdd3dbc82ac [0,0,1,0,0,0|2,0,0]=3 176 B8R0.8 CSCN[C@H](C)C(=O)N c7892432661f557a4875bbc0c66dca2f [0,0,1,0,0,0|3,0,0]=4 177 B8R0.8 CSCN[C@H](C)C(=O)O b9423e8ae3b110bd616b166a6c8e3236 [0,0,1,0,0,0|2,0,0]=3 178 B8R0.8 CSCOC(C)C(=O)O 57d7ce1dd854a328c5975793704ea7b1 [0,0,1,0,0,0|3,0,0]=4 179 B8R0.8 CSCO[C@@H](C)C(=O)O 864b5a29ecb73704069778c9f0e179d1 [0,0,1,0,0,0|3,0,0]=4 180 B8R0.8 CSCO[C@H](C)C(=O)O f7ab39fe068e7fa68aead9a01d1128af [0,0,1,0,0,0|3,0,0]=4 181 B8R0.8 C[C@@H](CNCF)C(=O)O 4d9173719fc4f49e4611760c33799bb2 [0,0,1,0,0,0|3,0,0]=4 182 B8R0.8 C[C@@H](CNCO)C(=O)O 129419d76dc5f85eaf247a7f67fc6cef [0,0,1,0,0,0|2,0,0]=3 183 B8R0.8 C[C@@H](COCF)C(=O)O aa505f32f4e5eedb1609c9fa6ceb286b [0,0,1,0,0,0|3,0,0]=4 184 B8R0.8 C[C@@H](NCC#N)C(=O)N d560bf21da9b01dbda4fa979f4ab8fbf [0,0,1,0,0,0|2,0,1]=4 185 B8R0.8 C[C@@H](NCC#N)C(=O)O 972d08b332f352aa44c3e39d4ac17eb7 [0,0,1,0,0,0|1,0,1]=3 186 B8R0.8 C[C@@H](NCC=O)C(=O)N 2d5a9db2ba27ee52295d46b8f6ba96f4 [0,0,1,0,0,0|1,0,2]=4 187 B8R0.8 C[C@@H](NCC=O)C(=O)O a9f70b757fe4612e75dea21e3835d008 [0,0,1,0,0,0|0,0,2]=3 188 B8R0.8 C[C@@H](NCCBr)C(=O)N 5f0fef2d25c875361a1c1fb6719cbf97 [0,0,1,0,0,0|2,0,0]=3 189 B8R0.8 C[C@@H](NCCF)C(=O)N 2c520067e170d47a3eab9e4fbe585908 [0,0,1,0,0,0|2,0,0]=3 190 B8R0.8 C[C@@H](NCCF)C(=O)O c985c930a75dd7ef32b597383fbe6b60 [0,0,1,0,0,0|1,0,0]=2 191 B8R0.8 C[C@@H](NCCI)C(=O)N 76a020fa2d2de1a12301f9ed6a01f3a0 [0,0,1,0,0,0|2,0,0]=3 192 B8R0.8 C[C@@H](NCCI)C(=O)O 8a10c2dc2b0ccfee702f35e3cbddbf0d [0,0,1,0,0,0|1,0,0]=2 193 B8R0.8 C[C@@H](NCCO)C(=O)N 11b4a7b8afa7b38c3221de9b75563071 [0,0,1,0,0,0|1,0,0]=2 194 B8R0.8 C[C@@H](NCCO)C(=O)O 773cefab23e4277c3fec27f25db9fd3e [0,0,1,0,0,0|0,0,0]=1 195 B8R0.8 C[C@@H](NCCO)C(F)F b6d1d7580c8e8dec8e79621e9d60e3bd [0,0,1,0,0,0|2,0,1]=4 196 B8R0.8 C[C@@H](NCCS)C(=O)N eaed8a8bc3443962f8e57846d7a55f89 [0,0,1,0,0,0|1,1,0]=3 197 B8R0.8 C[C@@H](NCCS)C(=O)O 19d484937376b7d19ec4ad31c032ffd8 [0,0,1,0,0,0|0,1,0]=2 198 B8R0.8 C[C@@H](OCC#N)C(=O)O c705a7a20d6bb82ff2eff911b8d9b552 [0,0,1,0,0,0|2,0,1]=4 199 B8R0.8 C[C@@H](OCC=O)C(=O)O ec661864679508fe308079c34ba0d948 [0,0,1,0,0,0|1,0,2]=4 200 B8R0.8 C[C@@H](OCCF)C(=O)N d40441105176013d30c8b95424c00d97 [0,0,1,0,0,0|3,0,0]=4 201 B8R0.8 C[C@@H](OCCF)C(=O)O c9253212131f04406411165ed9fada60 [0,0,1,0,0,0|2,0,0]=3 202 B8R0.8 C[C@@H](OCCS)C(=O)N 88943ada137c1f0b099f509dc8869f73 [0,0,1,0,0,0|2,1,0]=4 203 B8R0.8 C[C@@H](OCCS)C(=O)O ac3bfc55d41f7a030484bfd593511e60 [0,0,1,0,0,0|1,1,0]=3 204 B8R0.8 C[C@H](CNCF)C(=O)O 9d81b94206f75ee21b4db163708e8702 [0,0,1,0,0,0|3,0,0]=4 205 B8R0.8 C[C@H](CNCO)C(=O)O 722d39fe0a80aec373909ca981cc2ac2 [0,0,1,0,0,0|2,0,0]=3 206 B8R0.8 C[C@H](COCF)C(=O)O 45766ea01c28bb0aca00c5be08dc9be3 [0,0,1,0,0,0|3,0,0]=4 207 B8R0.8 C[C@H](NCC#N)C(=O)N b1bd4affae1676d8c00295ee999f67c9 [0,0,1,0,0,0|2,0,1]=4 208 B8R0.8 C[C@H](NCC#N)C(=O)O e4147ba99646ec3a91b79b66bb7623a1 [0,0,1,0,0,0|1,0,1]=3 209 B8R0.8 C[C@H](NCC=O)C(=O)N a2b63a020c9792264aa745567c78af14 [0,0,1,0,0,0|1,0,2]=4 210 B8R0.8 C[C@H](NCC=O)C(=O)O 8f3e3a2e655b122b5dbf67e5312baae9 [0,0,1,0,0,0|0,0,2]=3 211 B8R0.8 C[C@H](NCCBr)C(=O)N c654f0586f8c23ee904ea4efbdaa6282 [0,0,1,0,0,0|2,0,0]=3 212 B8R0.8 C[C@H](NCCF)C(=O)N e75d3c5e3e987293ab038f42699088fd [0,0,1,0,0,0|2,0,0]=3 213 B8R0.8 C[C@H](NCCF)C(=O)O fd1f98b23619529732be37e8295a849a [0,0,1,0,0,0|1,0,0]=2 214 B8R0.8 C[C@H](NCCI)C(=O)N 67fe932a80a9eec1720ad4855692ad60 [0,0,1,0,0,0|2,0,0]=3 215 B8R0.8 C[C@H](NCCI)C(=O)O 14879b70406900d3b9c0aef15c8804ba [0,0,1,0,0,0|1,0,0]=2 216 B8R0.8 C[C@H](NCCO)C(=O)N ead3141575cb05538a172d8fe0fd315f [0,0,1,0,0,0|1,0,0]=2 217 B8R0.8 C[C@H](NCCO)C(=O)O 76808623850f5a1065c978caf5c977ca [0,0,1,0,0,0|0,0,0]=1 218 B8R0.8 C[C@H](NCCO)C(F)F ff940830f44b98008bb96871506e5514 [0,0,1,0,0,0|2,0,1]=4 219 B8R0.8 C[C@H](NCCS)C(=O)N 66f3a08d77bb976c0eb5f803b01afeb5 [0,0,1,0,0,0|1,1,0]=3 220 B8R0.8 C[C@H](NCCS)C(=O)O f9c7d821f3499388f2c0c427911263cd [0,0,1,0,0,0|0,1,0]=2 221 B8R0.8 C[C@H](OCC#N)C(=O)O ba12b08c57ed09456d47d6e99832077b [0,0,1,0,0,0|2,0,1]=4 222 B8R0.8 C[C@H](OCC=O)C(=O)O 4ebe59700e459820040abe9c03f70752 [0,0,1,0,0,0|1,0,2]=4 223 B8R0.8 C[C@H](OCCF)C(=O)N 4e9bb5644f38dd86d9dd9823a1b49742 [0,0,1,0,0,0|3,0,0]=4 224 B8R0.8 C[C@H](OCCF)C(=O)O 743b16156cee7adc3f15423098970a5c [0,0,1,0,0,0|2,0,0]=3 225 B8R0.8 C[C@H](OCCS)C(=O)N b69b46e96c27664eee2ef8d1ebb4d82d [0,0,1,0,0,0|2,1,0]=4 226 B8R0.8 C[C@H](OCCS)C(=O)O b485ed5c5773edd40292f7e36c453e29 [0,0,1,0,0,0|1,1,0]=3 227 B8R0.8 N#CCNC(O)C(=O)O eec7ef83cf88af6ac7f289ccc2020fe0 [0,0,1,0,0,0|2,0,1]=4 228 B8R0.8 NC(=O)C(=O)NCCO 10353f6c195c1dd5d3db75345c6400fc [0,0,1,0,0,0|2,0,1]=4 229 B8R0.8 NC(=O)C(F)NCCBr 7b2f59324313e93e737f5e8d44c95a2c [0,0,1,0,0,0|3,0,0]=4 230 B8R0.8 NC(=O)C(F)NCCI 4fa570523e6226333623796420bfec05 [0,0,1,0,0,0|3,0,0]=4 231 B8R0.8 NC(=O)C(F)NCCO 8ea465c04b3d341359f3e0754df88307 [0,0,1,0,0,0|2,0,0]=3 232 B8R0.8 O=C(O)C(F)CNCO c5cb63252e280c78105d540035d06dac [0,0,1,0,0,0|3,0,0]=4 233 B8R0.8 O=C(O)C(O)CNCO 898dc7e3ebc74408e9fbb99b51d98f75 [0,0,1,0,0,0|3,0,0]=4 234 B8R0.8 O=C(O)C(O)NCCF f448ef4ffbf11843dbee1bb8436d2a0c [0,0,1,0,0,0|2,0,0]=3 235 B8R0.8 O=C(O)C(O)NCCO 698911e1d3457f5b9e37a340d950957a [0,0,1,0,0,0|1,0,0]=2 236 B8R0.8 O=C(O)C(O)NCCS 5346421c4abaa0529702e1282d1c5a95 [0,0,1,0,0,0|1,1,0]=3 237 B8R0.8 O=C(O)[C@@H](O)CNCO cdd1082cc3946b226b2ffbc1066fef89 [0,0,1,0,0,0|3,0,0]=4 238 B8R0.8 O=C(O)[C@H](O)CNCO 71211b0d7c7b20837b97e49988848369 [0,0,1,0,0,0|3,0,0]=4 239 B8R0.8 O=CCNC(O)C(=O)O 8520717b1a1e11d4c35b09a14aaf7e93 [0,0,1,0,0,0|1,0,2]=4 240 B8R0.9 CC(=O)NCC(O)CO a7a306466b1599337a98d4a78b5d781e [0,0,1,0,0,0|3,0,0]=4 241 B8R0.9 CC(=O)NC[C@@H](O)CO a8483dbc09c1c7f138b3ed243987530b [0,0,1,0,0,0|3,0,0]=4 242 B8R0.9 CC(=O)NC[C@H](O)CO 4c725599a6cf504375db5135be307edf [0,0,1,0,0,0|3,0,0]=4 243 B8R0.9 CC(CF)OCC(=O)O 72064f294e73f6a982bc7e430390395e [0,0,1,0,0,0|3,0,0]=4 244 B8R0.9 CC(CO)NCC(=O)O 3fa1442f69c9dfa3ad5830b54dce922d [0,0,1,0,0,0|3,0,0]=4 245 B8R0.9 CC(CS)OCC(=O)O 6f586a0cfc007fa60414bad735acd25c [0,0,1,0,0,0|3,0,0]=4 246 B8R0.9 CCC(C)NCC(=O)O f2952a77ab3e8bd898813643bd6d2028 [0,0,1,0,0,0|3,0,0]=4 247 B8R0.9 CCC(C)OCC(=O)O ba461bfe27072cdbfb8d74924722a4e4 [0,0,1,0,0,0|3,0,0]=4 248 B8R0.9 CCC(O)CNC(=O)C 303ca77168267846269f8e2248e6c650 [0,0,1,0,0,0|3,0,0]=4 249 B8R0.9 CCN(C)CCC(=O)O 2d55640deefd272dbf27378182c87c56 [0,0,1,0,0,0|3,0,0]=4 250 B8R0.9 CC[C@@H](C)NCC(=O)O 5c12fd5b6d0cdca7f2b2238c17851dd2 [0,0,1,0,0,0|3,0,0]=4 251 B8R0.9 CC[C@@H](C)OCC(=O)O fcbe44d01b8fa575a40781f8929bf942 [0,0,1,0,0,0|3,0,0]=4 252 B8R0.9 CC[C@@H](O)CNC(=O)C 214f1ff21aca62cdd2be0dae45336745 [0,0,1,0,0,0|3,0,0]=4 253 B8R0.9 CC[C@H](C)NCC(=O)O d0392c98c4a58fa7920a948e7c8055d4 [0,0,1,0,0,0|3,0,0]=4 254 B8R0.9 CC[C@H](C)OCC(=O)O 8b17e83f890f84f235b698dd6e78f10d [0,0,1,0,0,0|3,0,0]=4 255 B8R0.9 CN(CF)CCC(=O)O 2d013e31aee2f0b22eda4a0cee146222 [0,0,1,0,0,0|3,0,0]=4 256 B8R0.9 CN(CO)CCC(=O)O a563a8e06bffade26f5d2de4c2323adb [0,0,1,0,0,0|3,0,0]=4 257 B8R0.9 C[C@@H](CO)NCC(=O)O a4ded20e76f16f8cb0ed35de8a1798b1 [0,0,1,0,0,0|3,0,0]=4 258 B8R0.9 C[C@H](CO)NCC(=O)O 3604c50bbfd16fc53504ebc03416b43b [0,0,1,0,0,0|3,0,0]=4 259 B8R0.9 C[C@H](CS)OCC(=O)O ec11162dd59d106eaabeedeed690abec [0,0,1,0,0,0|3,0,0]=4 260 B8R0.15 C=CC(NCO)C(=O)O 02434f0cc2ab88a157fbbfde94d9a490 [0,0,1,0,0,0|2,0,1]=4 261 B8R0.15 C=C[C@H](NCO)C(=O)O 91a74614650e784312c5d23758a5a16b [0,0,1,0,0,0|2,0,1]=4 262 B8R0.15 CCC(NCF)C(=O)O 850ee032ff8e5d86c20bab43e234fbb6 [0,0,1,0,0,0|3,0,0]=4 263 B8R0.15 CCC(NCO)C(=O)N 956554908595c50f2bdd7ffbe771073d [0,0,1,0,0,0|3,0,0]=4 264 B8R0.15 CCC(NCO)C(=O)O db363ec4295a86c2fa409aac06a566a2 [0,0,1,0,0,0|2,0,0]=3 265 B8R0.15 CCC(OCF)C(=O)O ef6f04d4d4b7d499812df6ebe4668f47 [0,0,1,0,0,0|3,0,0]=4 266 B8R0.15 CCN(CCO)C(=O)C 7d70110607468d775832ae23e9934092 [0,0,1,0,0,0|3,0,0]=4 267 B8R0.15 CCNC(CC)C(=O)O 811bed40f759e9415b190b45b938f031 [0,0,1,0,0,0|3,0,0]=4 268 B8R0.15 CCN[C@@H](CC)C(=O)O ad39164e8fc918d5e58308b586171474 [0,0,1,0,0,0|3,0,0]=4 269 B8R0.15 CCN[C@H](CC)C(=O)O f7f7d1d8bf30d5fe2da91fe96021fe3c [0,0,1,0,0,0|3,0,0]=4 270 B8R0.15 CCOC(CC)C(=O)O 382aa920ebdd6f2bbe768902640ad9e2 [0,0,1,0,0,0|3,0,0]=4 271 B8R0.15 CCO[C@@H](CC)C(=O)O 94f5195873e16b29cb1b8369b5daad14 [0,0,1,0,0,0|3,0,0]=4 272 B8R0.15 CCO[C@H](CC)C(=O)O b8c9ca25086a8c61d2a1f7aecbcec13d [0,0,1,0,0,0|3,0,0]=4 273 B8R0.15 CC[C@@H](NCF)C(=O)O 9592ba18488e06d007c56e3bb749b243 [0,0,1,0,0,0|3,0,0]=4 274 B8R0.15 CC[C@@H](NCO)C(=O)O 97715112de1ce5ecb2509133cc9cdaa1 [0,0,1,0,0,0|2,0,0]=3 275 B8R0.15 CC[C@@H](OCF)C(=O)O 04c614c037a7fb2cad756976721bea17 [0,0,1,0,0,0|3,0,0]=4 276 B8R0.15 CC[C@H](NCF)C(=O)O 92c72ae7fc2c9386004189c4ccda19a9 [0,0,1,0,0,0|3,0,0]=4 277 B8R0.15 CC[C@H](NCO)C(=O)N 447f79d1a4a79d049ea2d6100ab9facb [0,0,1,0,0,0|3,0,0]=4 278 B8R0.15 CC[C@H](NCO)C(=O)O 095847387652246d94b75d260940e322 [0,0,1,0,0,0|2,0,0]=3 279 B8R0.15 CC[C@H](OCF)C(=O)O c3e3503168943a92d052ee029c13c59a [0,0,1,0,0,0|3,0,0]=4 280 B8R0.15 O=C(O)C(CCl)NCO 87909341b2a2401adb94a3e449acbeeb [0,0,1,0,0,0|3,0,0]=4 281 B8R0.15 O=C(O)C(CF)NCO 8882ba16164d78cec81fe4b00fda2ae1 [0,0,1,0,0,0|3,0,0]=4 282 B8R0.15 O=C(O)C(CO)NCO 81ff67930a96f8f373a876534f5a354d [0,0,1,0,0,0|3,0,0]=4 283 B8R0.15 O=C(O)C(CS)NCO b3a632b39e14452fb76e40a3b45f1330 [0,0,1,0,0,0|3,0,0]=4 284 B8R0.15 O=C(O)[C@@H](CCl)NCO a657e82377b90be09b01db5df6746084 [0,0,1,0,0,0|3,0,0]=4 285 B8R0.15 O=C(O)[C@@H](CO)NCO cfec0a60446fa32f24138a7f54bc9bb8 [0,0,1,0,0,0|3,0,0]=4 286 B8R0.15 O=C(O)[C@@H](CS)NCO 0f499f5952378dffba3785ff4ae4c019 [0,0,1,0,0,0|3,0,0]=4 287 B8R0.15 O=C(O)[C@H](CCl)NCO 45f6f42413f314b49f1c79dfa3cea815 [0,0,1,0,0,0|3,0,0]=4 288 B8R0.15 O=C(O)[C@H](CO)NCO 08a1cdec07261d180e41b733dfd606d7 [0,0,1,0,0,0|3,0,0]=4 289 B8R0.15 O=C(O)[C@H](CS)NCO 1ed62aac1780461a449b2c14b61eaf37 [0,0,1,0,0,0|3,0,0]=4 290 B8R0.23 CC(=O)N(C)CC(C)O 4e9ef38fdc27d4895833669b87ebf855 [0,0,1,0,0,0|3,0,0]=4 291 B8R0.23 CC(=O)N(C)C[C@H](C)O 021150eee8136a4b9cf5a9a8729a45c5 [0,0,1,0,0,0|3,0,0]=4 292 B8R0.23 CC(C)NC(C)C(=O)O 14fb43a096987787a4c4cfde0de411d4 [0,0,1,0,0,0|3,0,0]=4 293 B8R0.23 CC(C)NC(O)C(=O)O 9854a2bbdccc28b8651cc97fd5606c53 [0,0,1,0,0,0|3,0,0]=4 294 B8R0.23 CC(C)N[C@@H](C)C(=O)O 97090174d192ee499ea4beaa2fe31161 [0,0,1,0,0,0|3,0,0]=4 295 B8R0.23 CC(C)N[C@H](C)C(=O)O 1a6c2905adf438d6c173d7efe8c0cadc [0,0,1,0,0,0|3,0,0]=4 296 B8R0.23 CC(C)OC(C)C(=O)O 0a58b34c739ceb5a5963c9b3548f472a [0,0,1,0,0,0|3,0,0]=4 297 B8R0.23 CC(C)O[C@@H](C)C(=O)O 3e6aa85ab276fb2f3b41c452e067b375 [0,0,1,0,0,0|3,0,0]=4 298 B8R0.23 CC(C)O[C@H](C)C(=O)O 3c1a1d8dc45ffece35d6cbe571959a73 [0,0,1,0,0,0|3,0,0]=4 299 B8R0.28 C=C(Br)CNCC(=O)O 05b7dbb61d35e1c0bd7bb81a555d18bd [0,0,1,0,0,0|1,0,2]=4 300 B8R0.28 C=C(Br)CNCC(C)C c8a2223ad4fb68f566d748ff6bcd2335 [0,0,1,0,0,0|3,0,0]=4 301 B8R0.28 C=C(Br)CNCC(C)O 9fb88a0948d2e5bdf12f9b78629816f0 [0,0,1,0,0,0|2,0,0]=3 302 B8R0.28 C=C(Br)CNC[C@@H](C)O 843a61826fe7455ba2b3f5f07151d5c5 [0,0,1,0,0,0|2,0,0]=3 303 B8R0.28 C=C(Br)CNC[C@H](C)O 0daca7fb153be7ef914c69654154289c [0,0,1,0,0,0|2,0,0]=3 304 B8R0.28 C=C(C)CNCC(=O)C 78f45c6f7509cf460bc1a071e894d38c [0,0,1,0,0,0|2,0,1]=4 305 B8R0.28 C=C(C)CNCC(=O)N 8581ddd0da23c9284f8dc88ea47d82e4 [0,0,1,0,0,0|2,0,1]=4 306 B8R0.28 C=C(C)CNCC(=O)O d2fb071764818c27006da68838bfc61e [0,0,1,0,0,0|1,0,1]=3 307 B8R0.28 C=C(C)CNCC(C)C 67c871a24d86e1667f16c08c29255d90 [0,0,1,0,0,0|3,0,0]=4 308 B8R0.28 C=C(C)CNCC(C)O 2b714059ab9907260e6aaccb52d1cb14 [0,0,1,0,0,0|2,0,0]=3 309 B8R0.28 C=C(C)CNC[C@@H](C)O c594a1781a89398e4ea1a6fed43fc869 [0,0,1,0,0,0|2,0,0]=3 310 B8R0.28 C=C(C)CNC[C@H](C)O a78b3c91bc5afc2963451088f5a91de2 [0,0,1,0,0,0|2,0,0]=3 311 B8R0.28 C=C(C)COCC(=O)O 832789ca495f30d4ff4e6ddd8693aa4b [0,0,1,0,0,0|2,0,1]=4 312 B8R0.28 C=C(Cl)CNCC(=O)O 0ea0d61f8e1c4c420d416d9dc1a60953 [0,0,1,0,0,0|1,0,2]=4 313 B8R0.28 C=C(Cl)CNCC(C)C 133a90dc6fd28ed81828592e584bc629 [0,0,1,0,0,0|3,0,0]=4 314 B8R0.28 C=C(Cl)CNCC(C)O 5723a59eceb538443c101fe4a14a018e [0,0,1,0,0,0|2,0,0]=3 315 B8R0.28 C=C(Cl)CNC[C@@H](C)O f53fddb474e2270f7fa67d391d9fef18 [0,0,1,0,0,0|2,0,0]=3 316 B8R0.28 C=C(Cl)CNC[C@H](C)O dfc3eeb46d1a4de13fa18f5be91bff05 [0,0,1,0,0,0|2,0,0]=3 317 B8R0.28 C=C(F)CNCC(=O)O aab76ef26695cab61ed52383b845bb72 [0,0,1,0,0,0|1,0,2]=4 318 B8R0.28 C=C(F)CNCC(C)C cf657ab8bf1ba535863f8b8fe0d19e9c [0,0,1,0,0,0|3,0,0]=4 319 B8R0.28 C=C(F)CNCC(C)O bc993c0f4fc07f9dd2d0a6e11268cc9c [0,0,1,0,0,0|2,0,0]=3 320 B8R0.28 C=C(F)CNC[C@@H](C)O 22a4aa447954801f083163f99675e6c7 [0,0,1,0,0,0|2,0,0]=3 321 B8R0.28 C=C(F)CNC[C@H](C)O aacdff2ab85fae1372e6021530c115ca [0,0,1,0,0,0|2,0,0]=3 322 B8R0.28 CC(=O)CNCC(=O)N bbda1f980dd395779fd519fc93ff8e42 [0,0,1,0,0,0|1,0,2]=4 323 B8R0.28 CC(=O)CNCC(=O)O 3b62ba43bac1c68066fe81a9d9795c10 [0,0,1,0,0,0|0,0,2]=3 324 B8R0.28 CC(=O)CNCC(C)C 58247fbcbea9991e7cd9ed1b77ee7a40 [0,0,1,0,0,0|2,0,0]=3 325 B8R0.28 CC(=O)CNCC(C)O 5f353bb8460ab4b4998d7b1c0d718029 [0,0,1,0,0,0|1,0,0]=2 326 B8R0.28 CC(=O)CNCC(F)F 040d59234b7876c01745adf80e5ff725 [0,0,1,0,0,0|3,0,0]=4 327 B8R0.28 CC(=O)CNCN(C)C ec5ebd7a403a45eadc9cad461d333fc2 [0,0,1,0,0,0|3,0,0]=4 328 B8R0.28 CC(=O)CNC[C@@H](C)O 289cb2833e34a4679529caaeb671569a [0,0,1,0,0,0|1,0,0]=2 329 B8R0.28 CC(=O)CNC[C@H](C)O 8f9759e3f6a23502911152a314ede481 [0,0,1,0,0,0|1,0,0]=2 330 B8R0.28 CC(=O)COCC(=O)O f81228ab107345361ebd98034538304d [0,0,1,0,0,0|1,0,2]=4 331 B8R0.28 CC(=O)COCC(C)C 63d13f7ca3ddeaa73dc93b4258f7679e [0,0,1,0,0,0|3,0,0]=4 332 B8R0.28 CC(=O)NCCC(C)O 9f83d99fdee0bda30ff85f31b4ee4b24 [0,0,1,0,0,0|3,0,0]=4 333 B8R0.28 CC(=O)NCC[C@@H](C)O 40ba395f3243b6aab3575e45be2f2594 [0,0,1,0,0,0|3,0,0]=4 334 B8R0.28 CC(=O)NCC[C@H](C)O ac547764dcce609b723a03cd4268cf9c [0,0,1,0,0,0|3,0,0]=4 335 B8R0.28 CC(C)CNCC(=O)N 387d837e6273849b1cdad6a6a721ebd2 [0,0,1,0,0,0|2,0,0]=3 336 B8R0.28 CC(C)CNCC(=O)O e07c47544f784e3ece77975eaa39fa62 [0,0,1,0,0,0|1,0,0]=2 337 B8R0.28 CC(C)CNCC(C)O f8d531c214571702a8653351806334e8 [0,0,1,0,0,0|2,0,1]=4 338 B8R0.28 CC(C)CNC[C@@H](C)O 4626559d474fbd5d133e353e8138e591 [0,0,1,0,0,0|2,0,1]=4 339 B8R0.28 CC(C)CNC[C@H](C)O 5c0fd92b864c5a52f9fd6fbeaf433485 [0,0,1,0,0,0|2,0,1]=4 340 B8R0.28 CC(C)CNC[N+](=O)[O-] e5f388f51900fde81f64a7b5204f667c [0,0,1,0,0,0|2,0,1]=4 341 B8R0.28 CC(C)COCC(=O)N 80d16d817ce82c87fac95f334c2d23e2 [0,0,1,0,0,0|3,0,0]=4 342 B8R0.28 CC(C)COCC(=O)O 569b76ca429bc6806415c3ae92c5e81d [0,0,1,0,0,0|2,0,0]=3 343 B8R0.28 CC(C)COCS(=O)O 28c686504a6dcd9fda3dd07e4e3670ff [0,0,1,0,0,0|3,0,0]=4 344 B8R0.28 CC(C)NCCC(=O)O f0554134cac289d8b7cbdbda8f5830d8 [0,0,1,0,0,0|3,0,0]=4 345 B8R0.28 CC(C)OCCC(=O)O a2f1c0df938b61e89340f22784f5d552 [0,0,1,0,0,0|3,0,0]=4 346 B8R0.28 CC(F)COCC(=O)N e9a9dcc4f520190840a7681321655420 [0,0,1,0,0,0|3,0,0]=4 347 B8R0.28 CC(F)COCC(=O)O 5825b41f210e11c756bbcfb99cc1b006 [0,0,1,0,0,0|2,0,0]=3 348 B8R0.28 CC(O)CNCC(=O)N 3341accee510efc87cc2f7b3f340be25 [0,0,1,0,0,0|1,0,0]=2 349 B8R0.28 CC(O)CNCC(=O)O 0fd36ebbcdac4288c2c1e57036c66736 [0,0,1,0,0,0|0,0,0]=1 350 B8R0.28 CC(O)CNCC(C)O 4a2a1f1df64d323049b6cc3bed5f7eec [0,0,1,0,0,0|1,0,1]=3 351 B8R0.28 CC(O)CNCC(F)F 1b83b15bbac702bc01a23157fe765803 [0,0,1,0,0,0|2,0,1]=4 352 B8R0.28 CC(O)CNCN(C)C 7ab35b459b0e2a8c24cce369c7516e65 [0,0,1,0,0,0|3,0,0]=4 353 B8R0.28 CC(O)CNC[C@@H](C)O a13654c0e0b2e8824a94b55cc885b895 [0,0,1,0,0,0|1,0,1]=3 354 B8R0.28 CC(O)CNC[C@H](C)O bb487d5d5b847c9d75f817219d3b7658 [0,0,1,0,0,0|1,0,1]=3 355 B8R0.28 CC(O)CNC[N+](=O)[O-] bc0706f83a86096652412116c255ac51 [0,0,1,0,0,0|1,0,1]=3 356 B8R0.28 CC(S)COCC(=O)N 82763365c9d88e903f647e90bafc9568 [0,0,1,0,0,0|2,1,0]=4 357 B8R0.28 CC(S)COCC(=O)O 572404985c8dcbb1715d2ff9748114ee [0,0,1,0,0,0|1,1,0]=3 358 B8R0.28 CN(C)CNCC(=O)N 61dc06082070ca26d637fe3f6c04d6ee [0,0,1,0,0,0|3,0,0]=4 359 B8R0.28 CN(C)CNCC(=O)O e6fa8314318b79cfd8ae4ca00ea3b758 [0,0,1,0,0,0|2,0,0]=3 360 B8R0.28 CN(C)COCC(=O)O fc3ba42b9747b2743ad7eda51803bfcf [0,0,1,0,0,0|3,0,0]=4 361 B8R0.28 C[C@@H](F)COCC(=O)N 26ec5b6c1520beb81cb66bb9beb36fee [0,0,1,0,0,0|3,0,0]=4 362 B8R0.28 C[C@@H](F)COCC(=O)O d9eb7ecba762e434dc71a2e535d45ab3 [0,0,1,0,0,0|2,0,0]=3 363 B8R0.28 C[C@@H](O)CNCC(=O)N f96380b9f6a9b4fe64a1f461f7c8c0ef [0,0,1,0,0,0|1,0,0]=2 364 B8R0.28 C[C@@H](O)CNCC(=O)O 6173ec4fb928b6f3ec52f242f1027a0f [0,0,1,0,0,0|0,0,0]=1 365 B8R0.28 C[C@@H](O)CNCC(F)F 2ee5adc5bed91f8b9edb519b6f0cb46e [0,0,1,0,0,0|2,0,1]=4 366 B8R0.28 C[C@@H](O)CNCN(C)C a621fba5932a5a91195f957cafc83517 [0,0,1,0,0,0|3,0,0]=4 367 B8R0.28 C[C@@H](O)CNC[C@@H](C)O 16696c158ac89d0a205b741acfd241ab [0,0,1,0,0,0|1,0,1]=3 368 B8R0.28 C[C@@H](O)CNC[N+](=O)[O-] 01add8d4900a3d2c9dbb3cfa1d1d3bed [0,0,1,0,0,0|1,0,1]=3 369 B8R0.28 C[C@H](F)COCC(=O)N 7c480ef07c1a9a0730d837d631e998ff [0,0,1,0,0,0|3,0,0]=4 370 B8R0.28 C[C@H](F)COCC(=O)O 5eaade2b5a7f385567c5eb3b69b32ab7 [0,0,1,0,0,0|2,0,0]=3 371 B8R0.28 C[C@H](O)CNCC(=O)N dab4e7fe2a5d0d056345029620f69bd6 [0,0,1,0,0,0|1,0,0]=2 372 B8R0.28 C[C@H](O)CNCC(=O)O 369122c3216fc4d9a4a5ea858770fa62 [0,0,1,0,0,0|0,0,0]=1 373 B8R0.28 C[C@H](O)CNCC(F)F fc34108293401fc2ee02069e96c7e7ef [0,0,1,0,0,0|2,0,1]=4 374 B8R0.28 C[C@H](O)CNCN(C)C 71021cc17fa239f6175ca48c6a3f76ca [0,0,1,0,0,0|3,0,0]=4 375 B8R0.28 C[C@H](O)CNC[C@@H](C)O f1681b429c26c45959758bad686c97ff [0,0,1,0,0,0|1,0,1]=3 376 B8R0.28 C[C@H](O)CNC[C@H](C)O bcf7a2c6e4dddb3906509a8f040e6475 [0,0,1,0,0,0|1,0,1]=3 377 B8R0.28 C[C@H](O)CNC[N+](=O)[O-] 071b6815174fac0844082b8d40c109bc [0,0,1,0,0,0|1,0,1]=3 378 B8R0.28 NC(=O)CNCC(=O)O f2703709dbe66eb9eafa6a5e3a6833d0 [0,0,1,0,0,0|1,0,2]=4 379 B8R0.28 NC(=O)CNCC(F)F 602feedc68194f5f28e59a8b32c64405 [0,0,1,0,0,0|3,0,0]=4 380 B8R0.28 O=C(O)CNCC(=O)O 7ab7bcf73fc666bf191dd4d7783c1974 [0,0,1,0,0,0|1,0,1]=3 381 B8R0.28 O=C(O)CNCC(F)F 040842ed6827b9851af762c119c56595 [0,0,1,0,0,0|2,0,0]=3 382 B8R0.28 O=C(O)CNC[N+](=O)[O-] 806b61457d3ba2a02c5db02823c3bf09 [0,0,1,0,0,0|2,0,1]=4 383 B8R0.28 O=C(O)COCC(=O)O c0e1c849c7114f9f4b4ce529ad852b29 [0,0,1,0,0,0|2,0,1]=4 384 B8R0.28 O=C(O)COCC(F)F 9e8fe105feb56c3ab08ea5459b7002d2 [0,0,1,0,0,0|3,0,0]=4 385 B8R0.28 O=C(O)COCS(=O)O 5f5dfe808e062671c6c68f22db3ca309 [0,0,1,0,0,0|3,0,0]=4 386 B8R1.23 CC(=O)N1CC(C1)F cba0abc01d5766c34fe5531513946933 [0,0,0,0,1,0|3,0,0]=4 387 B8R1.23 CC(=O)N1CC(C1)O 77ab01a2253fd049b876c0a3e724463e [0,0,0,0,1,0|2,0,0]=3 388 B10R1.13 CC(=O)N1CCC(CC1)O 1481df3e605d80311e18ec650d4bb707 [0,0,0,0,0,1|3,0,0]=4 389 B10R1.54 CC(=O)NC1CCC(C1)C 1662f3e59706b2e0b9c86006d2f191db [0,0,0,0,0,1|3,0,0]=4 390 B10R1.54 CC(=O)NC1CCC(C1)O 8df0ebcee037b9fdc688d44933d4c3db [0,0,0,0,0,1|2,0,0]=3 391 B10R1.54 CC(=O)N[C@@H]1C=C[C@@H](C1)O 3c5d449b83a9068c632156e6fad4a84d [0,0,0,0,0,1|2,0,1]=4 392 B10R1.54 CC(=O)N[C@@H]1CC[C@@H](C1)O bd5d5487a5426aee6c8b85f7d6a82f6d [0,0,0,0,0,1|2,0,0]=3 393 B10R1.54 CC(=O)N[C@@H]1CC[C@H](C1)O e9b3bd4a14f9308205f6e539850076b4 [0,0,0,0,0,1|2,0,0]=3 394 B10R1.54 CC(=O)N[C@H]1C=C[C@H](C1)O 5da21737f4afea7787ecde715b144bdd [0,0,0,0,0,1|2,0,1]=4 395 B10R1.54 CC(=O)N[C@H]1CC[C@@H](C1)O 9699b4c6ebe806fb645f613f502422f4 [0,0,0,0,0,1|2,0,0]=3 396 B10R1.54 CC(=O)N[C@H]1CC[C@H](C1)O aee6acb4424af3e957060a2ce53ddcc8 [0,0,0,0,0,1|2,0,0]=3 397 B10R1.54 CC1CCN(C1)CC(=O)O b8d9f8f8dd4347c0af06b75515184c73 [0,0,0,0,0,1|3,0,0]=4 398 B10R1.54 NC(=O)CN1CCC(C1)O 7cd1bbfe95092a0b77cc602bc652ef3b [0,0,0,0,0,1|3,0,0]=4 399 B10R1.54 NC(=O)CN1CC[C@@H](C1)O 1592ef4f38004a24cd89b967d109e285 [0,0,0,0,0,1|3,0,0]=4 400 B10R1.54 NC(=O)CN1CC[C@H](C1)O 974ec311c77c0a3e5a6631eab04c66c7 [0,0,0,0,0,1|3,0,0]=4 401 B10R1.54 O=C(O)CN1CCC(C1)F 8acb16772e9ca4b2fe51bb421d4b8cd1 [0,0,0,0,0,1|3,0,0]=4 402 B10R1.54 O=C(O)CN1CCC(C1)O ca37e06cd9b7bbc71af271599b998364 [0,0,0,0,0,1|2,0,0]=3 403 B10R1.54 O=C(O)CN1CC[C@@H](C1)F b63040360648721ff37994670a246244 [0,0,0,0,0,1|3,0,0]=4 404 B10R1.54 O=C(O)CN1CC[C@@H](C1)O 98ba8f6e2d76ff3f4a27413121dc0ae0 [0,0,0,0,0,1|2,0,0]=3 405 B10R1.54 O=C(O)CN1CC[C@H](C1)F 0119a3497e2de6992352b92152178c3f [0,0,0,0,0,1|3,0,0]=4 406 B10R1.54 O=C(O)CN1CC[C@H](C1)O 2f6697dc2fac174cd8c2c51863fd57de [0,0,0,0,0,1|2,0,0]=3 407 B10R1.113 CC(=O)N1CCCC(C1)O ee540cedaa1a73223284cbbba0d7cd09 [0,0,0,0,0,1|3,0,0]=4 408 B10R1.113 CC(=O)N1CCC[C@@H](C1)O 7fdf4d521b5ee53ca37891b5a4dd6495 [0,0,0,0,0,1|3,0,0]=4 409 B10R1.113 CC(=O)N1CCC[C@H](C1)O 45f5d9af1194bdf7e75f97a0993057a0 [0,0,0,0,0,1|3,0,0]=4 410 B7R0.3 C#CC(C)NCCO bbba0c1d2ecd1db2e38885169cb41ae5 [1,0,1,0,0,0|1,0,1]=4 411 B7R0.3 C#CCNC(C)C=O 8a80a6d3188851c8aa12e1e598927010 [1,0,1,0,0,0|1,0,1]=4 412 B7R0.3 C#CCN[C@H](C)C=O 8faab6e2c8060fcb11bf9cb31dde2a6b [1,0,1,0,0,0|1,0,1]=4 413 B7R0.3 C#C[C@@H](C)NCCO e9414cfb46cc033f4806e66f84d2f19c [1,0,1,0,0,0|1,0,1]=4 414 B7R0.3 C#C[C@H](C)NCCO 1a07e9f5216c88dd837e816c5c857fca [1,0,1,0,0,0|1,0,1]=4 415 B7R0.3 C=CC(C)NCCBr b356883a0dc70704108470357c5d7d32 [1,0,1,0,0,0|2,0,0]=4 416 B7R0.3 C=CC(C)NCCC ce56ff835d97c72d3c77b342679142d9 [1,0,1,0,0,0|2,0,0]=4 417 B7R0.3 C=CC(C)NCCF 077bbc22cd0a8dcb78cded6a2db45aa7 [1,0,1,0,0,0|2,0,0]=4 418 B7R0.3 C=CC(C)NCCI ac7ae81e417980ca8ecb87af514042e3 [1,0,1,0,0,0|2,0,0]=4 419 B7R0.3 C=CC(C)NCCO 86960b6d278df2bdab9b0f12b5036032 [1,0,1,0,0,0|1,0,0]=3 420 B7R0.3 C=CC(C)NCCS f0ada7e973c6d56f24d465f4dbaba074 [1,0,1,0,0,0|1,1,0]=4 421 B7R0.3 CC(C#N)NCCO 55b7405319dad98407f3509b935a08d4 [1,0,1,0,0,0|1,0,1]=4 422 B7R0.3 CC(C=O)NCC#N 127301cbe7cdf76d3d0981fbc706d46e [1,0,1,0,0,0|1,0,1]=4 423 B7R0.3 CC(C=O)NCCBr e62dcd68debd83fbc562e7642602b43a [1,0,1,0,0,0|1,0,0]=3 424 B7R0.3 CC(C=O)NCCF 3f043d9316d202555af83ac46b0372cc [1,0,1,0,0,0|1,0,0]=3 425 B7R0.3 CC(C=O)NCCI 0d60b9f4140097c5e41c90179bcb853b [1,0,1,0,0,0|1,0,0]=3 426 B7R0.3 CC(C=O)NCCO 96981c8499c542f7fb2722dd0795dded [1,0,1,0,0,0|0,0,0]=2 427 B7R0.3 CC(C=O)NCCS 2cf826365eb6ff97374090530c3ccaf5 [1,0,1,0,0,0|0,1,0]=3 428 B7R0.3 CC(C=O)OCCF 9676f45a56098fb26857cb4b8fa0bcb0 [1,0,1,0,0,0|2,0,0]=4 429 B7R0.3 CC(C=O)OCCS 707059ad8fea5768d8b6a96e20ccb88c [1,0,1,0,0,0|1,1,0]=4 430 B7R0.3 CC(CO)NCCBr 9d4fd176b9f7156afcd17616b9df73f4 [1,0,1,0,0,0|1,0,1]=4 431 B7R0.3 CC(CO)NCCF 3fb2f9d7a1fb44ff3a81b0f43c3cecd1 [1,0,1,0,0,0|1,0,1]=4 432 B7R0.3 CC(CO)NCCI 5c0bfbc53939f51e926c19c25f286c71 [1,0,1,0,0,0|1,0,1]=4 433 B7R0.3 CC(CO)NCCO 5cd093cef9425d970f2779cfd472d185 [1,0,1,0,0,0|0,0,1]=3 434 B7R0.3 CC(CO)NCCS 7e1b4b642ac91e5af00fd08799aa6e2e [1,0,1,0,0,0|0,1,1]=4 435 B7R0.3 CCC(C)NCCO 513c7a6bd13dc3bbf026a87954b89604 [1,0,1,0,0,0|1,0,1]=4 436 B7R0.3 CCC(O)CNC=O 3e7e1c1d57179570b5ce8a6f87ec4444 [1,0,1,0,0,0|2,0,0]=4 437 B7R0.3 CCCNC(C)C=O 7e933d948c2e669e598ddc3c695365b5 [1,0,1,0,0,0|1,0,0]=3 438 B7R0.3 CCCNC(C)CO ef58a4cf57fdde87a0f1c08020c4e142 [1,0,1,0,0,0|1,0,1]=4 439 B7R0.3 CCCN[C@@H](C)CO 9717e8befa87e4e1275959dce684e068 [1,0,1,0,0,0|1,0,1]=4 440 B7R0.3 CCCN[C@H](C)C=O 7a63958ebc59429c5dcc5f06d2683ced [1,0,1,0,0,0|1,0,0]=3 441 B7R0.3 CCCN[C@H](C)CO 7bbdc293a56e3b9e5394e782c67eaddd [1,0,1,0,0,0|1,0,1]=4 442 B7R0.3 CCCOC(C)C=O 64f7abc1e62101b123e23f4c74164a7e [1,0,1,0,0,0|2,0,0]=4 443 B7R0.3 CCCO[C@H](C)C=O 08508c09bba0136bf81083f7b07956d8 [1,0,1,0,0,0|2,0,0]=4 444 B7R0.3 CC[C@@H](C)NCCO 72cce7ce1a4c2aadd49ed6fa51eb30e5 [1,0,1,0,0,0|1,0,1]=4 445 B7R0.3 CC[C@@H](O)CNC=O 35e0b928eef0050ada3a4c2a6cc4db4c [1,0,1,0,0,0|2,0,0]=4 446 B7R0.3 CC[C@H](C)NCCO 14df35d641eb74814d616543d777742c [1,0,1,0,0,0|1,0,1]=4 447 B7R0.3 CN(C=O)CCCO d9d91dbce26e2eec91c5287e49989c6b [1,0,1,0,0,0|2,0,0]=4 448 B7R0.3 C[C@@H](CO)NCCBr 5bfdda3a2e7eed27dfaa991ff0ef97da [1,0,1,0,0,0|1,0,1]=4 449 B7R0.3 C[C@@H](CO)NCCF c52aa10a04722f940d2009fa7a4930ad [1,0,1,0,0,0|1,0,1]=4 450 B7R0.3 C[C@@H](CO)NCCI 6bdc75e50c6dc3234bc69f090327544f [1,0,1,0,0,0|1,0,1]=4 451 B7R0.3 C[C@@H](CO)NCCO f533b151726db8df114b2e138c242e75 [1,0,1,0,0,0|0,0,1]=3 452 B7R0.3 C[C@@H](CO)NCCS 7391d6153b1cb03960b0fd4a99934217 [1,0,1,0,0,0|0,1,1]=4 453 B7R0.3 C[C@H](C=O)NCC#N 9b1d30d7284bc89f6f0ba6960b607cac [1,0,1,0,0,0|1,0,1]=4 454 B7R0.3 C[C@H](C=O)NCCBr 1c88aafc7cf0e6ecf5a695c971d96c26 [1,0,1,0,0,0|1,0,0]=3 455 B7R0.3 C[C@H](C=O)NCCF 312336c63755d0cb499e935eb3842567 [1,0,1,0,0,0|1,0,0]=3 456 B7R0.3 C[C@H](C=O)NCCI 365ac184287fbb3cff12bb64cb86f31d [1,0,1,0,0,0|1,0,0]=3 457 B7R0.3 C[C@H](C=O)NCCO c2af2d81a42c507f9635465d1a70fd23 [1,0,1,0,0,0|0,0,0]=2 458 B7R0.3 C[C@H](C=O)NCCS e667bec1b7d47f2ddf6d0ff1e8c85311 [1,0,1,0,0,0|0,1,0]=3 459 B7R0.3 C[C@H](C=O)OCCF a0a5cbe08a1078c6900a6f0acbda2a8d [1,0,1,0,0,0|2,0,0]=4 460 B7R0.3 C[C@H](C=O)OCCS 15879fc18488d12b970460b0830cdd69 [1,0,1,0,0,0|1,1,0]=4 461 B7R0.3 C[C@H](CO)NCCBr cfab7907db9e63f890c879384e24e5b4 [1,0,1,0,0,0|1,0,1]=4 462 B7R0.3 C[C@H](CO)NCCF cb91bb5edb2a0c63c570d34f11071d1c [1,0,1,0,0,0|1,0,1]=4 463 B7R0.3 C[C@H](CO)NCCI 7e2db315aeaaac49480cb09083a749f2 [1,0,1,0,0,0|1,0,1]=4 464 B7R0.3 C[C@H](CO)NCCO 57e737113b903a53b0864be81471f1e6 [1,0,1,0,0,0|0,0,1]=3 465 B7R0.3 C[C@H](CO)NCCS ca2eaea9731c563c60cf01430832dca9 [1,0,1,0,0,0|0,1,1]=4 466 B7R0.3 O=CC(=O)NCCO 0f54c9d799f4c0c4875a4c5afe26d691 [1,0,1,0,0,0|1,0,1]=4 467 B7R0.3 O=CNCC(O)CO f07ee978b5361099ae5463db2d8284c6 [1,0,1,0,0,0|2,0,0]=4 468 B7R0.3 O=CNC[C@@H](O)CO 4afeec0bbb868f60f0a97c37149bb7ed [1,0,1,0,0,0|2,0,0]=4 469 B7R0.3 O=CNC[C@H](O)CO bac710e216d9ff7e3114b1f469852b76 [1,0,1,0,0,0|2,0,0]=4 470 B7R0.4 C#CCNCC(=O)O 343eb4150e1f97e741a1efc40a4c68ea [1,0,1,0,0,0|0,0,2]=4 471 B7R0.4 C#CCNCC(C)O f4d872dd00b0a2e0a49423bedd0911d9 [1,0,1,0,0,0|1,0,1]=4 472 B7R0.4 C#CCNC[C@@H](C)O 48ca2cffdb002fd4c5435c3cab817ac3 [1,0,1,0,0,0|1,0,1]=4 473 B7R0.4 C#CCNC[C@H](C)O 3540d80288db26ec22a5ecfb25fe8093 [1,0,1,0,0,0|1,0,1]=4 474 B7R0.4 C=C(Br)CNCCC fa829c84ae21852cc8a84c5b2b04c392 [1,0,1,0,0,0|2,0,0]=4 475 B7R0.4 C=C(Br)CNCCO 00225027954a340a3118d5c001a92b30 [1,0,1,0,0,0|2,0,0]=4 476 B7R0.4 C=C(C)CNCC=O 9d28817af531c4aeff91a0e804528258 [1,0,1,0,0,0|1,0,1]=4 477 B7R0.4 C=C(C)CNCCC 9338ac3992e47efae82e0b1fb1732dd0 [1,0,1,0,0,0|2,0,0]=4 478 B7R0.4 C=C(C)CNCCO 7142f744ef151de1633254d1c7f42004 [1,0,1,0,0,0|2,0,0]=4 479 B7R0.4 C=C(Cl)CNCCC e211f531740b4a6af99c40dd77a72224 [1,0,1,0,0,0|2,0,0]=4 480 B7R0.4 C=C(Cl)CNCCO 6a611a7eb068d7dde6e67ecabe81bad2 [1,0,1,0,0,0|2,0,0]=4 481 B7R0.4 C=C(F)CNCCC 4667877133a3f36f4c10609c396b250b [1,0,1,0,0,0|2,0,0]=4 482 B7R0.4 C=C(F)CNCCO 9267c34bfc2d6383ea073c0636587814 [1,0,1,0,0,0|2,0,0]=4 483 B7R0.4 C=CCNCC(=O)O 6133d6411223a422a790fc62a49552d6 [1,0,1,0,0,0|0,0,2]=4 484 B7R0.4 C=CCNCC(C)C 7f73adb711a665b808680f9f4e975092 [1,0,1,0,0,0|2,0,0]=4 485 B7R0.4 C=CCNCC(C)O dde411813044e811a6123a529ae27585 [1,0,1,0,0,0|1,0,0]=3 486 B7R0.4 C=CCNC[C@@H](C)O ec4536a6022457f632f6d265caa69d4d [1,0,1,0,0,0|1,0,0]=3 487 B7R0.4 C=CCNC[C@H](C)O 42afe3d5f35955757d07afc6e0f5adfa [1,0,1,0,0,0|1,0,0]=3 488 B7R0.4 CC(=O)CNCC=O 5be6de3ce66e561a4ff39c69208f9195 [1,0,1,0,0,0|0,0,2]=4 489 B7R0.4 CC(=O)CNCCF 037d57d4c47ace4be0a5087eec27dc1a [1,0,1,0,0,0|2,0,0]=4 490 B7R0.4 CC(=O)CNCCO 86398d1823d67bf69cb8819c5f41ae7a [1,0,1,0,0,0|1,0,0]=3 491 B7R0.4 CC(=O)CNCCS 7ce62300907f9ccd0384e405866d6aaa [1,0,1,0,0,0|1,1,0]=4 492 B7R0.4 CC(C)CNCC=O e2e655e4d2528bc07c0e7e73f520729a [1,0,1,0,0,0|1,0,0]=3 493 B7R0.4 CC(C)CNCCO bc40b3ae5c3a6adde3dd753071b81161 [1,0,1,0,0,0|1,0,1]=4 494 B7R0.4 CC(C)COCC=O bd41a1e672abb592bd026a120b038c2b [1,0,1,0,0,0|2,0,0]=4 495 B7R0.4 CC(F)COCC=O b46e29d4101a17f157843c4bdc730f6e [1,0,1,0,0,0|2,0,0]=4 496 B7R0.4 CC(O)CCNC=O 7d16a38d54e5204f080aee8a4fea20ce [1,0,1,0,0,0|2,0,0]=4 497 B7R0.4 CC(O)CNCC#N c277ed23b2388d99b8c551bcc91bf2d2 [1,0,1,0,0,0|1,0,1]=4 498 B7R0.4 CC(O)CNCC=O 944b3483ce03d29e552c3844291f44b6 [1,0,1,0,0,0|0,0,0]=2 499 B7R0.4 CC(O)CNCCBr 154eb4d8643396dfb29e9b52415c8302 [1,0,1,0,0,0|1,0,1]=4 500 B7R0.4 CC(O)CNCCF 8d5077fa916d6fe4d2601be7b7e92fe0 [1,0,1,0,0,0|1,0,1]=4 501 B7R0.4 CC(O)CNCCI 066a03933ac8e01fd84516db90bd80b4 [1,0,1,0,0,0|1,0,1]=4 502 B7R0.4 CC(O)CNCCO 8f4ae016359cb69f6b81e6aefbfc1a34 [1,0,1,0,0,0|0,0,1]=3 503 B7R0.4 CC(O)CNCCS 460faff2bd822e3fb542bd4f386088ee [1,0,1,0,0,0|0,1,1]=4 504 B7R0.4 CC(S)COCC=O 15ebcb7a251dae8d81b8432f521474d6 [1,0,1,0,0,0|1,1,0]=4 505 B7R0.4 CCCNCC(=O)C 99413200ab301de7320a2958deb213a6 [1,0,1,0,0,0|1,0,0]=3 506 B7R0.4 CCCNCC(=O)N c6bdb30f5ce304ac84a3a29975920160 [1,0,1,0,0,0|1,0,0]=3 507 B7R0.4 CCCNCC(=O)O 1172f6559bfe8e46309ea809f909cc38 [1,0,1,0,0,0|0,0,0]=2 508 B7R0.4 CCCNCC(C)O daf3f68aedcfe9daf2326198322724f7 [1,0,1,0,0,0|1,0,1]=4 509 B7R0.4 CCCNC[C@@H](C)O 69c59cd948a0a2ada3b8c8ccb896baca [1,0,1,0,0,0|1,0,1]=4 510 B7R0.4 CCCNC[C@H](C)O 72915868db71c51258a7b619113cc692 [1,0,1,0,0,0|1,0,1]=4 511 B7R0.4 CCCNC[N+](=O)[O-] 419587d101301b41277d69884923c893 [1,0,1,0,0,0|1,0,1]=4 512 B7R0.4 CCCOCC(=O)C 96075066d7d27bc87eaacf968c44bcad [1,0,1,0,0,0|2,0,0]=4 513 B7R0.4 CCCOCC(=O)N 96a8c77dd39980465075569d7697e39d [1,0,1,0,0,0|2,0,0]=4 514 B7R0.4 CCCOCC(=O)O 23aff310a77cf1d0723d729060ccc5ab [1,0,1,0,0,0|1,0,0]=3 515 B7R0.4 CCCOCS(=O)O 0f12db2563a680e281a3900efd4625e1 [1,0,1,0,0,0|2,0,0]=4 516 B7R0.4 CCNCCC(=O)O 88c0515bc1747e6ea081f59eb14f48f3 [1,0,1,0,0,0|2,0,0]=4 517 B7R0.4 CCOCCC(=O)O b43dd4fe6d8527741fde301ee2762516 [1,0,1,0,0,0|2,0,0]=4 518 B7R0.4 COCNCC(=O)C 1d22e2faae89557d184e6b77c70e18b9 [1,0,1,0,0,0|2,0,0]=4 519 B7R0.4 COCNCC(=O)N 5eb60c0a5f3dc108975679a2e84d9e64 [1,0,1,0,0,0|2,0,0]=4 520 B7R0.4 COCNCC(=O)O 63e693e6a6943d7d076b731aa43d021d [1,0,1,0,0,0|1,0,0]=3 521 B7R0.4 COCNCC(C)O 7cd2bebbda561fed9f8727c3c28ad38e [1,0,1,0,0,0|2,0,0]=4 522 B7R0.4 COCNC[C@@H](C)O 1cb4b03583e52c6b50718208a2374249 [1,0,1,0,0,0|2,0,0]=4 523 B7R0.4 COCNC[C@H](C)O f3446f550f05f70b23e0d39223deb3a4 [1,0,1,0,0,0|2,0,0]=4 524 B7R0.4 COCOCC(=O)O a468e60279d972337d82cd5f7b4a85c0 [1,0,1,0,0,0|2,0,0]=4 525 B7R0.4 CSCNCC(=O)C 45bb082b9a0036036408483af8cc43e5 [1,0,1,0,0,0|2,0,0]=4 526 B7R0.4 CSCNCC(=O)N 25bde4292d4cdcaec203d3d8eb65b798 [1,0,1,0,0,0|2,0,0]=4 527 B7R0.4 CSCNCC(=O)O 5c5440b473179a79f0a0bde7f261b934 [1,0,1,0,0,0|1,0,0]=3 528 B7R0.4 CSCNCC(C)O 50c1b0ff20ccca0fd478dfcc8b4f1dd9 [1,0,1,0,0,0|2,0,0]=4 529 B7R0.4 CSCNC[C@@H](C)O 8109ab425e83ef9eeeaf7082857cd6a2 [1,0,1,0,0,0|2,0,0]=4 530 B7R0.4 CSCNC[C@H](C)O d2099554b3b9b6b9132d0066d20c97d5 [1,0,1,0,0,0|2,0,0]=4 531 B7R0.4 CSCOCC(=O)O bc53fc5d2082b4879e00ca1b9daacd0d [1,0,1,0,0,0|2,0,0]=4 532 B7R0.4 C[C@@H](F)COCC=O dfd322669411a585629980eb6b5be0dd [1,0,1,0,0,0|2,0,0]=4 533 B7R0.4 C[C@@H](O)CCNC=O 063b940170a2cb4a98efeca14a33a52e [1,0,1,0,0,0|2,0,0]=4 534 B7R0.4 C[C@@H](O)CNCC#N 7bfb086c42a4594c4cffb6ccfda3da8f [1,0,1,0,0,0|1,0,1]=4 535 B7R0.4 C[C@@H](O)CNCC=O ae52f375140c99168e4849031ee267c7 [1,0,1,0,0,0|0,0,0]=2 536 B7R0.4 C[C@@H](O)CNCCBr 476a86534856a9aae2ef8f7279b31cfb [1,0,1,0,0,0|1,0,1]=4 537 B7R0.4 C[C@@H](O)CNCCF 87507f8dca39fc70cc21fdf67bae8912 [1,0,1,0,0,0|1,0,1]=4 538 B7R0.4 C[C@@H](O)CNCCI 9587776e701d797d457867258d4fc89b [1,0,1,0,0,0|1,0,1]=4 539 B7R0.4 C[C@@H](O)CNCCO baa562baabf5c8a48c20282a5a246002 [1,0,1,0,0,0|0,0,1]=3 540 B7R0.4 C[C@@H](O)CNCCS 36bf6989b461aa9b67b95a0edd91af08 [1,0,1,0,0,0|0,1,1]=4 541 B7R0.4 C[C@H](F)COCC=O 41a7eddb5d50f5c0a8a1cffec2a2d618 [1,0,1,0,0,0|2,0,0]=4 542 B7R0.4 C[C@H](O)CCNC=O cef20fefdcc1f37d90fc224277e1f868 [1,0,1,0,0,0|2,0,0]=4 543 B7R0.4 C[C@H](O)CNCC#N 1a04464fa2dc47027bc54412001f6fce [1,0,1,0,0,0|1,0,1]=4 544 B7R0.4 C[C@H](O)CNCC=O 58f727508ba2f4be3dc454ceda8497a8 [1,0,1,0,0,0|0,0,0]=2 545 B7R0.4 C[C@H](O)CNCCBr d8130b56183e44282fb663631b483d0a [1,0,1,0,0,0|1,0,1]=4 546 B7R0.4 C[C@H](O)CNCCF 8a00c7ca22c55b9ee2846de53781405a [1,0,1,0,0,0|1,0,1]=4 547 B7R0.4 C[C@H](O)CNCCI 94327fd285e5b15f8455d211a6b18583 [1,0,1,0,0,0|1,0,1]=4 548 B7R0.4 C[C@H](O)CNCCO da7e3a0fa5cde405013af45ae4f5815a [1,0,1,0,0,0|0,0,1]=3 549 B7R0.4 C[C@H](O)CNCCS a9946cdb75b18365d5d002024cd9bdf6 [1,0,1,0,0,0|0,1,1]=4 550 B7R0.4 N#CCNCC(=O)O 809e9a9d58d178eb22e9b3ea8c029b46 [1,0,1,0,0,0|1,0,1]=4 551 B7R0.4 NC(=O)CNCCBr efd5ac610f3bf0af030019a2a0ff4ee3 [1,0,1,0,0,0|2,0,0]=4 552 B7R0.4 NC(=O)CNCCF 88409f29ce1f997fc9276ae451d20bd9 [1,0,1,0,0,0|2,0,0]=4 553 B7R0.4 NC(=O)CNCCI 0c80ee12c3f6bb203c2aa04fa4e00ea0 [1,0,1,0,0,0|2,0,0]=4 554 B7R0.4 NC(=O)CNCCO 02184e14b25877b3290e4ad2b4992b8c [1,0,1,0,0,0|1,0,0]=3 555 B7R0.4 NC(=O)CNCCS eabeface6d5825fa54ff76a59eda8562 [1,0,1,0,0,0|1,1,0]=4 556 B7R0.4 O=C(O)CCNCF 05f9560a9c5090f2158d127e76253bb5 [1,0,1,0,0,0|2,0,0]=4 557 B7R0.4 O=C(O)CCNCO 4eda81a5ddb9ef19630be70331f35e71 [1,0,1,0,0,0|2,0,0]=4 558 B7R0.4 O=C(O)CCOCF 47a2f1a64d70f1fd70ee05dd145bf666 [1,0,1,0,0,0|2,0,0]=4 559 B7R0.4 O=C(O)CNCCBr 8130f29cad0df7ca3ee5b483ea3f0ae7 [1,0,1,0,0,0|1,0,0]=3 560 B7R0.4 O=C(O)CNCCF 6ae595578428cb8e8437866b629b8546 [1,0,1,0,0,0|1,0,0]=3 561 B7R0.4 O=C(O)CNCCI b126f2904311dc397f067e9011020ab9 [1,0,1,0,0,0|1,0,0]=3 562 B7R0.4 O=C(O)CNCCO 8a2a254c2a92a8e0b0d875df2fbb7a98 [1,0,1,0,0,0|0,0,0]=2 563 B7R0.4 O=C(O)CNCCS a3afb9ba49fa1ab4342d38d48d1d7ee5 [1,0,1,0,0,0|0,1,0]=3 564 B7R0.4 O=C(O)COCCF 0bf6b93a21a854bfb19752b49752a6aa [1,0,1,0,0,0|2,0,0]=4 565 B7R0.4 O=C(O)COCCS d255bc31bb2be8a37fe42b47fabd36dd [1,0,1,0,0,0|1,1,0]=4 566 B7R0.4 O=CCNCC(=O)O 08ed280de66551066677a6ffd3df2c93 [1,0,1,0,0,0|0,0,2]=4 567 B7R0.4 O=CCNCC(F)F 824b7b6840181b3cfa0b763b1d812fba [1,0,1,0,0,0|2,0,0]=4 568 B7R0.4 O=[N+]([O-])CNCCO 69325ec3c6bcdbf7a6cebb6b1eb9806b [1,0,1,0,0,0|1,0,1]=4 569 B7R0.5 CC(=O)N(C)CCO ba457e3be79fea19f791558c60ef2a77 [1,0,1,0,0,0|2,0,0]=4 570 B7R0.5 CC(NC#N)C(=O)O 392de9697c4a5dcddc67adbe8abaabb3 [1,0,1,0,0,0|1,0,1]=4 571 B7R0.5 CC(NCF)C(=O)N f0a5cc6cd244223372790316f7e61f94 [1,0,1,0,0,0|2,0,0]=4 572 B7R0.5 CC(NCF)C(=O)O 678d57d218e04263cf06f7d55d31cd1d [1,0,1,0,0,0|1,0,0]=3 573 B7R0.5 CC(NCO)C(=O)N f8080c17d94f9bd121a85d094899f029 [1,0,1,0,0,0|1,0,0]=3 574 B7R0.5 CC(NCO)C(=O)O fe4a7856b889669392c300fb3cd4873c [1,0,1,0,0,0|0,0,0]=2 575 B7R0.5 CC(O)C(C)NCO f5ad7a8ea3ea402c77cd7eb338910db7 [1,0,1,0,0,0|1,0,1]=4 576 B7R0.5 CC(OCF)C(=O)O 98938b6366d5b1644ffb60bc89cae3d5 [1,0,1,0,0,0|2,0,0]=4 577 B7R0.5 CCNC(C)C(=O)N 7d9101ed45213ee882e4c1680fbf78d8 [1,0,1,0,0,0|1,0,0]=3 578 B7R0.5 CCNC(C)C(=O)O a9b19181316f90f96751c71a39f085a0 [1,0,1,0,0,0|0,0,0]=2 579 B7R0.5 CCNC(C)C(C)O 392d96cf423ba6d8f5882a82ddace883 [1,0,1,0,0,0|1,0,1]=4 580 B7R0.5 CCNC(O)C(=O)O e57bdce4aa01317f2f019ff8528e5629 [1,0,1,0,0,0|1,0,0]=3 581 B7R0.5 CCN[C@@H](C)C(=O)N d3ef0fda784c6fd3be35dd07570fe081 [1,0,1,0,0,0|1,0,0]=3 582 B7R0.5 CCN[C@@H](C)C(=O)O fcc04b18ffb8702755c5613065d53d85 [1,0,1,0,0,0|0,0,0]=2 583 B7R0.5 CCN[C@H](C)C(=O)N ced1ae1ac0990c4f7a1ff4ddde70a04d [1,0,1,0,0,0|1,0,0]=3 584 B7R0.5 CCN[C@H](C)C(=O)O 461a17ce9e067f5c1d30933bc07d8775 [1,0,1,0,0,0|0,0,0]=2 585 B7R0.5 CCOC(C)C(=O)C 04432572fe22b740e86ca5259d0a3bbf [1,0,1,0,0,0|2,0,0]=4 586 B7R0.5 CCOC(C)C(=O)N 3ce53fe24b247e6bbc8d0161ba8adc8b [1,0,1,0,0,0|2,0,0]=4 587 B7R0.5 CCOC(C)C(=O)O 1968a3bf4eb23bbce80f27001c40e3aa [1,0,1,0,0,0|1,0,0]=3 588 B7R0.5 CCO[C@@H](C)C(=O)N 886b096e99d61dadf66cd020bfb7d1de [1,0,1,0,0,0|2,0,0]=4 589 B7R0.5 CCO[C@@H](C)C(=O)O f2b03ca68b0ab7d2700716b8fff09b6d [1,0,1,0,0,0|1,0,0]=3 590 B7R0.5 CCO[C@H](C)C(=O)N 8689cd95b03a5d9ff73691cd92fc4b07 [1,0,1,0,0,0|2,0,0]=4 591 B7R0.5 CCO[C@H](C)C(=O)O 156314018bee2c048aecc9ba30245a68 [1,0,1,0,0,0|1,0,0]=3 592 B7R0.5 C[C@@H](NC#N)C(=O)O 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O=C(O)C(O)NCF debbdbf9e1d3d8838357ca1b62835c9a [1,0,1,0,0,0|2,0,0]=4 605 B7R0.5 O=C(O)C(O)NCO 6aca03582d286fba98508921a1d70ae3 [1,0,1,0,0,0|1,0,0]=3 606 B7R0.6 CC(=O)NCC(C)O 0ffb7326836e65b1a201fca72ad947e5 [1,0,1,0,0,0|2,0,0]=4 607 B7R0.6 CC(=O)NC[C@@H](C)O f988b940337d1dc00ccd246da11ece9f [1,0,1,0,0,0|2,0,0]=4 608 B7R0.6 CC(=O)NC[C@H](C)O 1a6130441852f98535cb020ca3c20f02 [1,0,1,0,0,0|2,0,0]=4 609 B7R0.6 CC(C)NCC(=O)O 43feb4147baaae13baaa9c5f09499603 [1,0,1,0,0,0|2,0,0]=4 610 B7R0.6 CC(C)OCC(=O)O 4f99bad05a342ea59eb9c6b2912ac68e [1,0,1,0,0,0|2,0,0]=4 611 B7R0.12 CCN(C=O)CCO f06d113e63228ddd0fbad99b8e842127 [1,0,1,0,0,0|2,0,0]=4 612 B7R0.2 CC(O)CN(C)C=O 327f1a278ffacbbe3e88f0ce0c9edbdc [1,0,1,0,0,0|2,0,0]=4 613 B7R0.2 C[C@H](O)CN(C)C=O 25d41e47dcdadeb17ce6f98cdd60ebbc [1,0,1,0,0,0|2,0,0]=4 614 B9R0.3 CC(NCCO)C(C)(C)O 1ad20547d3908863e9f928ad90897ecd [0,1,1,0,0,0|1,0,1]=4 615 B9R0.3 C[C@@H](NCCO)C(C)(C)O e2204f3412d3b1a38bc35d852af53ae0 [0,1,1,0,0,0|1,0,1]=4 616 B9R0.3 C[C@H](NCCO)C(C)(C)O 8617c4b56d62d9b054804ee5cccf6760 [0,1,1,0,0,0|1,0,1]=4 617 B9R0.6 C#CCN(C)C(C)C(=O)O e374002f1df7937cec28306a3d13af0d [0,1,1,0,0,0|1,0,1]=4 618 B9R0.6 C#CCN(C)[C@@H](C)C(=O)O cfd287b8fd6c37d84e97399a3151666f [0,1,1,0,0,0|1,0,1]=4 619 B9R0.6 C#CCN(C)[C@H](C)C(=O)O c965fcd92c24547951619168c3ec6c36 [0,1,1,0,0,0|1,0,1]=4 620 B9R0.6 C=CCN(C)C(C)C(=O)O f6b2c3ab8b402a6878286b05dfc5fd3e [0,1,1,0,0,0|1,0,1]=4 621 B9R0.6 C=CCN(C)[C@@H](C)C(=O)O 1741857d459e250d6c8b9c98af2739eb [0,1,1,0,0,0|1,0,1]=4 622 B9R0.6 C=CCN(C)[C@H](C)C(=O)O 715529504fd342c238b40582e484fd03 [0,1,1,0,0,0|1,0,1]=4 623 B9R0.6 CC(=O)C(C)N(C)CCF c5d47e1a92ee81658700a386051e1a75 [0,1,1,0,0,0|2,0,0]=4 624 B9R0.6 CC(=O)C(C)N(C)CCO 51e0c269f714d953765d3faf2b5f2421 [0,1,1,0,0,0|1,0,0]=3 625 B9R0.6 CC(C(=O)N)N(C)CCF b3d63dde4ab58b46b7d5936683984ab2 [0,1,1,0,0,0|2,0,0]=4 626 B9R0.6 CC(C(=O)N)N(C)CCO dd9e3c97475ac1bf4a16e7dd9460dfe3 [0,1,1,0,0,0|1,0,0]=3 627 B9R0.6 CC(C(=O)N)N(C)CCS 47426ac0f7eee1013328c5d27f00b3b9 [0,1,1,0,0,0|1,1,0]=4 628 B9R0.6 CC(C(=O)O)N(C)CC#N cf8ca6630d375e9000befdc66ecffe78 [0,1,1,0,0,0|1,0,1]=4 629 B9R0.6 CC(C(=O)O)N(C)CC=O 6f4aef9fa366a6057a9e1b899b4b27f3 [0,1,1,0,0,0|0,0,2]=4 630 B9R0.6 CC(C(=O)O)N(C)CCF e44cd4cbe19f77a1288c72785e09d4ca [0,1,1,0,0,0|1,0,0]=3 631 B9R0.6 CC(C(=O)O)N(C)CCO 24a541fd10360206d0222569d1abf7e3 [0,1,1,0,0,0|0,0,0]=2 632 B9R0.6 CC(C(=O)O)N(C)CCS 59424363d2350ed7fde780fb4de14e27 [0,1,1,0,0,0|0,1,0]=3 633 B9R0.6 CC(C(=S)N)N(C)CCO 45d637cf9f1ce2aed395ac626002a2b5 [0,1,1,0,0,0|1,1,0]=4 634 B9R0.6 CCCN(C)C(C)C(=O)C 0ed03c9188e77740bffc26f0c2820448 [0,1,1,0,0,0|2,0,0]=4 635 B9R0.6 CCCN(C)C(C)C(=O)N 48f19b616238debf7809f80535f95c35 [0,1,1,0,0,0|2,0,0]=4 636 B9R0.6 CCCN(C)C(C)C(=O)O f70fec3653f8caa91c122702576f4a6d [0,1,1,0,0,0|1,0,0]=3 637 B9R0.6 CCCN(C)[C@@H](C)C(=O)N 17553a457ad1447714697d601bac57ee [0,1,1,0,0,0|2,0,0]=4 638 B9R0.6 CCCN(C)[C@@H](C)C(=O)O 33f2c0d3908618aac995bd4430161391 [0,1,1,0,0,0|1,0,0]=3 639 B9R0.6 CCCN(C)[C@H](C)C(=O)N 77eba5d5b60bad6e1f7fa42ad8b17a9f [0,1,1,0,0,0|2,0,0]=4 640 B9R0.6 CCCN(C)[C@H](C)C(=O)O 5c8b184c0ab62c90ff99df884739207b [0,1,1,0,0,0|1,0,0]=3 641 B9R0.6 COCN(C)C(C)C(=O)O 58493b6e50645657ba85e8c482465391 [0,1,1,0,0,0|2,0,0]=4 642 B9R0.6 COCN(C)[C@@H](C)C(=O)O 73a054d8912c72cb95dce991aab29537 [0,1,1,0,0,0|2,0,0]=4 643 B9R0.6 COCN(C)[C@H](C)C(=O)O f51663443e14d28b46b54ec9d30f1173 [0,1,1,0,0,0|2,0,0]=4 644 B9R0.6 CSCN(C)C(C)C(=O)O 614a73aead9c5ac8d865975d6529b701 [0,1,1,0,0,0|2,0,0]=4 645 B9R0.6 CSCN(C)[C@@H](C)C(=O)O b9e680512af92360df7a1d0bb832e1bf [0,1,1,0,0,0|2,0,0]=4 646 B9R0.6 CSCN(C)[C@H](C)C(=O)O 97ca591a395fb45fb0d3c825d20c81ac [0,1,1,0,0,0|2,0,0]=4 647 B9R0.6 C[C@@H](C(=O)N)N(C)CCF ea13e09df5f07290fe21a2543b077e44 [0,1,1,0,0,0|2,0,0]=4 648 B9R0.6 C[C@@H](C(=O)N)N(C)CCO 44b09f98ac5cbe57bd2b7b28ca54973c [0,1,1,0,0,0|1,0,0]=3 649 B9R0.6 C[C@@H](C(=O)N)N(C)CCS 01f48329abc14493e48e07183a9c1f22 [0,1,1,0,0,0|1,1,0]=4 650 B9R0.6 C[C@@H](C(=O)O)N(C)CC#N 31695ad70dcc5b57eb92a154a13c4ce4 [0,1,1,0,0,0|1,0,1]=4 651 B9R0.6 C[C@@H](C(=O)O)N(C)CC=O 36b5dc57abb84f84be980aebb05a9149 [0,1,1,0,0,0|0,0,2]=4 652 B9R0.6 C[C@@H](C(=O)O)N(C)CCF b7bd913ce83947407cb082115140a640 [0,1,1,0,0,0|1,0,0]=3 653 B9R0.6 C[C@@H](C(=O)O)N(C)CCO 321cb42b3f4d5036ff661e1050f70812 [0,1,1,0,0,0|0,0,0]=2 654 B9R0.6 C[C@@H](C(=O)O)N(C)CCS 4a5a8539b9d5e852a5c8fd15b8863ea4 [0,1,1,0,0,0|0,1,0]=3 655 B9R0.6 C[C@H](C(=O)N)N(C)CCF 47e660887463e676afac809079c73a36 [0,1,1,0,0,0|2,0,0]=4 656 B9R0.6 C[C@H](C(=O)N)N(C)CCO ba7ea23b2b5c018c8b8840c41c3ef3c9 [0,1,1,0,0,0|1,0,0]=3 657 B9R0.6 C[C@H](C(=O)O)N(C)CC#N aae78cc98a0218897e5ed6665231e2d5 [0,1,1,0,0,0|1,0,1]=4 658 B9R0.6 C[C@H](C(=O)O)N(C)CC=O 85dec63ea36a36b9f66794dfff10523b [0,1,1,0,0,0|0,0,2]=4 659 B9R0.6 C[C@H](C(=O)O)N(C)CCF ef3ec66328511d59c447568526ce02a1 [0,1,1,0,0,0|1,0,0]=3 660 B9R0.6 C[C@H](C(=O)O)N(C)CCO 65459b20ae0e22507258b13b8a6201b1 [0,1,1,0,0,0|0,0,0]=2 661 B9R0.6 C[C@H](C(=O)O)N(C)CCS 7304b6ec7cb9add7c3c1faf010cc60e8 [0,1,1,0,0,0|0,1,0]=3 662 B9R0.7 C=C(Br)CNC(C)C(=O)O 4b4b833b0923408e022a05775b239322 [0,1,1,0,0,0|1,0,1]=4 663 B9R0.7 C=C(Br)CN[C@@H](C)C(=O)O c90358467ea0b56e6c191c6df9f74b1f [0,1,1,0,0,0|1,0,1]=4 664 B9R0.7 C=C(Br)CN[C@H](C)C(=O)O d8adcc4e0215fdbc5391473a8aa71ebc [0,1,1,0,0,0|1,0,1]=4 665 B9R0.7 C=C(C)CNC(C)C(=O)O 71c7739e8b991e4abf0435840a700d0a [0,1,1,0,0,0|1,0,1]=4 666 B9R0.7 C=C(C)CN[C@@H](C)C(=O)O e7bfbf33da3040405841b806d36ec309 [0,1,1,0,0,0|1,0,1]=4 667 B9R0.7 C=C(C)CN[C@H](C)C(=O)O cd53bb67574651329e24959a91da937e [0,1,1,0,0,0|1,0,1]=4 668 B9R0.7 C=C(Cl)CNC(C)C(=O)O 02718e80e93fe98eb1ff5478307d6c36 [0,1,1,0,0,0|1,0,1]=4 669 B9R0.7 C=C(Cl)CN[C@@H](C)C(=O)O 37f8e6538c7ee1a3cbee956899fb12c5 [0,1,1,0,0,0|1,0,1]=4 670 B9R0.7 C=C(Cl)CN[C@H](C)C(=O)O 42e250ec14ba01035d59dbf8319004fa [0,1,1,0,0,0|1,0,1]=4 671 B9R0.7 C=C(F)CNC(C)C(=O)O 5561b129a7713849bedffff3fa68eced [0,1,1,0,0,0|1,0,1]=4 672 B9R0.7 C=C(F)CN[C@@H](C)C(=O)O 0d1198cdf44620e161e507566e03c846 [0,1,1,0,0,0|1,0,1]=4 673 B9R0.7 C=C(F)CN[C@H](C)C(=O)O 2d73552c9ce59fea30b19426f027d96b [0,1,1,0,0,0|1,0,1]=4 674 B9R0.7 CC(=O)C(C)NCC(=O)O 71016da385f2899dc86054b0d9f13d55 [0,1,1,0,0,0|1,0,1]=4 675 B9R0.7 CC(=O)C(C)NCC(C)C 6c7b0a051632092ac486b69a0f1d681e [0,1,1,0,0,0|2,0,0]=4 676 B9R0.7 CC(=O)C(C)NCC(C)O 356fd4969f309cd17504ab4716b94b6b [0,1,1,0,0,0|1,0,0]=3 677 B9R0.7 CC(=O)C(C)NCC(F)F 2632f47ae89a220f94581cf4354ca760 [0,1,1,0,0,0|2,0,0]=4 678 B9R0.7 CC(=O)C(C)NC[C@@H](C)O 4d15f3f2bfa0fb88c4597ad63dd7383a [0,1,1,0,0,0|1,0,0]=3 679 B9R0.7 CC(=O)C(C)NC[C@H](C)O 9f16d7df284b4ed6122cd930dc772e91 [0,1,1,0,0,0|1,0,0]=3 680 B9R0.7 CC(C)CNC(C)C(=O)N b020f738ddfc755301327996ecd3ef34 [0,1,1,0,0,0|2,0,0]=4 681 B9R0.7 CC(C)CNC(C)C(=O)O 95f3f70da5c52d8fcff64d575b644cc6 [0,1,1,0,0,0|1,0,0]=3 682 B9R0.7 CC(C)CNC(F)C(=O)O 3711a9670c069b61c1c67d7849298242 [0,1,1,0,0,0|2,0,0]=4 683 B9R0.7 CC(C)CNC(O)C(=O)O 56c2775cf664a9536ae56c2e0f8fb5b9 [0,1,1,0,0,0|2,0,0]=4 684 B9R0.7 CC(C)CN[C@@H](C)C(=O)N 42140e145de8857ee09b4399c82aa419 [0,1,1,0,0,0|2,0,0]=4 685 B9R0.7 CC(C)CN[C@@H](C)C(=O)O 8a76b9132fa71c37af073ea71f14d908 [0,1,1,0,0,0|1,0,0]=3 686 B9R0.7 CC(C)CN[C@@H](F)C(=O)O ce55718c38f59931fe6cf543c7b3ebcf [0,1,1,0,0,0|2,0,0]=4 687 B9R0.7 CC(C)CN[C@H](C)C(=O)N 066a1edbe5493c95d2f93d2ae1adc4dc [0,1,1,0,0,0|2,0,0]=4 688 B9R0.7 CC(C)CN[C@H](C)C(=O)O 3f45bea020626ccc8ec99438f12126a4 [0,1,1,0,0,0|1,0,0]=3 689 B9R0.7 CC(C)COC(C)C(=O)O 9c7c1c3df2d77d8f248ac9d91af8f53d [0,1,1,0,0,0|2,0,0]=4 690 B9R0.7 CC(C)CO[C@@H](C)C(=O)O fd5777f1e2b1dc60074ed75e7679298b [0,1,1,0,0,0|2,0,0]=4 691 B9R0.7 CC(C)CO[C@H](C)C(=O)O a69c599a7201e956cef10d92e6f06c1a [0,1,1,0,0,0|2,0,0]=4 692 B9R0.7 CC(NCC(=O)N)C(=O)O 12c431bedf774963eea7cc8ec240f9bb [0,1,1,0,0,0|0,0,2]=4 693 B9R0.7 CC(NCC(=O)O)C(=O)N 89c37092ee2f8b0e63268d273d0228ff [0,1,1,0,0,0|1,0,1]=4 694 B9R0.7 CC(NCC(=O)O)C(=O)O 987b2499311f8742f9deea3b5e39f6e6 [0,1,1,0,0,0|0,0,1]=3 695 B9R0.7 CC(NCC(F)F)C(=O)N ede67c5a8c4438fa0a34295c1154c0a0 [0,1,1,0,0,0|2,0,0]=4 696 B9R0.7 CC(NCC(F)F)C(=O)O 30227a91f562e8a46383b161c0b5b082 [0,1,1,0,0,0|1,0,0]=3 697 B9R0.7 CC(NCN(C)C)C(=O)O e058f611a7944b54a8e4a69fa3d68dff [0,1,1,0,0,0|2,0,0]=4 698 B9R0.7 CC(NC[C@@H](C)O)C(=O)N b05d26f56a3efdbcc0d499a4224e1ecd [0,1,1,0,0,0|1,0,0]=3 699 B9R0.7 CC(NC[C@@H](C)O)C(=O)O e809ce2c26bcb016686927f7b1c7a395 [0,1,1,0,0,0|0,0,0]=2 700 B9R0.7 CC(NC[C@H](C)O)C(=O)N 43e41ab48426e924877af39f8aa73801 [0,1,1,0,0,0|1,0,0]=3 701 B9R0.7 CC(NC[C@H](C)O)C(=O)O d508d1661713f75e41ed860ce7457545 [0,1,1,0,0,0|0,0,0]=2 702 B9R0.7 CC(NC[N+](=O)[O-])C(=O)O f083c5c533c118c47ab36d91e496ac98 [0,1,1,0,0,0|1,0,1]=4 703 B9R0.7 CC(O)C(C)NC[C@@H](C)O 5e3ffccd0cf90accbb8c5bce07f107d0 [0,1,1,0,0,0|1,0,1]=4 704 B9R0.7 CC(O)C(C)NC[C@H](C)O 8d3aad84c7ccc9fd8b70b2a3d527386c [0,1,1,0,0,0|1,0,1]=4 705 B9R0.7 CC(O)CNC(C)C(=O)N b2f2cfe7a799cc612bbbea6ed9541147 [0,1,1,0,0,0|1,0,0]=3 706 B9R0.7 CC(O)CNC(C)C(=O)O 8f378c3b2577a664e81978bed6d085ad [0,1,1,0,0,0|0,0,0]=2 707 B9R0.7 CC(O)CNC(C)C(C)O d86e4eafca14f548d85dde151156931e [0,1,1,0,0,0|1,0,1]=4 708 B9R0.7 CC(O)CNC(F)C(=O)N edc47809a3355df77fff04bfe011e245 [0,1,1,0,0,0|2,0,0]=4 709 B9R0.7 CC(O)CNC(O)C(=O)O 5e6094d83c3524909868e222ec813376 [0,1,1,0,0,0|1,0,0]=3 710 B9R0.7 CC(O)CN[C@@H](C)C(=O)N 2acb655df554015ce43b7d2b5d827484 [0,1,1,0,0,0|1,0,0]=3 711 B9R0.7 CC(O)CN[C@@H](C)C(=O)O 5ddc35dc14ba5aa589c4aa25f6e3299a [0,1,1,0,0,0|0,0,0]=2 712 B9R0.7 CC(O)CN[C@H](C)C(=O)N 4fc43cefacc3f018d3258630cc8a3f43 [0,1,1,0,0,0|1,0,0]=3 713 B9R0.7 CC(O)CN[C@H](C)C(=O)O 4d91ad475557f6f0126eddf20ec91d26 [0,1,1,0,0,0|0,0,0]=2 714 B9R0.7 CC(OCC(=O)O)C(=O)O 703dd626490aec635a09876bfd310d6e [0,1,1,0,0,0|1,0,1]=4 715 B9R0.7 CC(OCC(F)F)C(=O)O e5edbf28279b0de930381832beee983b [0,1,1,0,0,0|2,0,0]=4 716 B9R0.7 C[C@@H](NCC(=O)N)C(=O)O f4c5292da88c22300ec1d7a42633c357 [0,1,1,0,0,0|0,0,2]=4 717 B9R0.7 C[C@@H](NCC(=O)O)C(=O)N bfe024e754ce1f221307332ca4690333 [0,1,1,0,0,0|1,0,1]=4 718 B9R0.7 C[C@@H](NCC(=O)O)C(=O)O 415a0334860aefb2a3620bf8fdc363b7 [0,1,1,0,0,0|0,0,1]=3 719 B9R0.7 C[C@@H](NCC(F)F)C(=O)N 636da618f7296269fa50f596befbcb55 [0,1,1,0,0,0|2,0,0]=4 720 B9R0.7 C[C@@H](NCC(F)F)C(=O)O b2e3e342b09fa553ce7a034846648c5f [0,1,1,0,0,0|1,0,0]=3 721 B9R0.7 C[C@@H](NCN(C)C)C(=O)O b71bf2ae1b9b1319ba65f4a4616917da [0,1,1,0,0,0|2,0,0]=4 722 B9R0.7 C[C@@H](NC[N+](=O)[O-])C(=O)O faf87dceade95b43fb0fce2617e5437f [0,1,1,0,0,0|1,0,1]=4 723 B9R0.7 C[C@@H](O)CNC(F)C(=O)N 593851b37a3ea210c7783cb07d8d2d4f [0,1,1,0,0,0|2,0,0]=4 724 B9R0.7 C[C@@H](O)CNC(O)C(=O)O 53522750083f40c42a75c8d1a51d10e1 [0,1,1,0,0,0|1,0,0]=3 725 B9R0.7 C[C@@H](O)CN[C@H](C)C(=O)N 85ad88f174223beb7c09005bbe91d8ed [0,1,1,0,0,0|1,0,0]=3 726 B9R0.7 C[C@@H](O)CN[C@H](C)C(=O)O 6c09363025908b429c9f6a9c87360a44 [0,1,1,0,0,0|0,0,0]=2 727 B9R0.7 C[C@@H](OCC(=O)O)C(=O)O 4a8d16a0c243ab4716ea82e35fa33547 [0,1,1,0,0,0|1,0,1]=4 728 B9R0.7 C[C@@H](OCC(F)F)C(=O)O 6b29f1fb1d84cecb31689a877498506f [0,1,1,0,0,0|2,0,0]=4 729 B9R0.7 C[C@H](NCC(=O)N)C(=O)O 60afe78c4eedef790de6ca6532beb156 [0,1,1,0,0,0|0,0,2]=4 730 B9R0.7 C[C@H](NCC(=O)O)C(=O)N a9a64082f6699f672e6c1e7ab7305b25 [0,1,1,0,0,0|1,0,1]=4 731 B9R0.7 C[C@H](NCC(=O)O)C(=O)O f9625cec5eb0d5af5124541dcd344e57 [0,1,1,0,0,0|0,0,1]=3 732 B9R0.7 C[C@H](NCC(F)F)C(=O)N 97304b5aa9d219f140167554fffbe9d4 [0,1,1,0,0,0|2,0,0]=4 733 B9R0.7 C[C@H](NCC(F)F)C(=O)O 251d020a984c1cb72d88d234a8a17a99 [0,1,1,0,0,0|1,0,0]=3 734 B9R0.7 C[C@H](NCN(C)C)C(=O)O 890cc561e2705dfd45b43ad18d204e90 [0,1,1,0,0,0|2,0,0]=4 735 B9R0.7 C[C@H](NC[C@@H](C)O)C(=O)N 9186b0bf879390b7e6b1216544f3941d [0,1,1,0,0,0|1,0,0]=3 736 B9R0.7 C[C@H](NC[C@@H](C)O)C(=O)O e4a79b78aaf76db8d949999ecfcb00bc [0,1,1,0,0,0|0,0,0]=2 737 B9R0.7 C[C@H](NC[N+](=O)[O-])C(=O)O 0192ca9ea8752d43981f02bd779e8978 [0,1,1,0,0,0|1,0,1]=4 738 B9R0.7 C[C@H](O)CNC(F)C(=O)N f51b654f9028e5bb7d95c497de0982c6 [0,1,1,0,0,0|2,0,0]=4 739 B9R0.7 C[C@H](O)CNC(O)C(=O)O 2718c7b8bbc967e12d5b2f298426a47e [0,1,1,0,0,0|1,0,0]=3 740 B9R0.7 C[C@H](O)CN[C@@H](C)C(=O)N 522623e7e0ef55aac4b5cf57f54b5583 [0,1,1,0,0,0|1,0,0]=3 741 B9R0.7 C[C@H](O)CN[C@@H](C)C(=O)O 6a6c67ca6662759fc2db97e0c2faf3d9 [0,1,1,0,0,0|0,0,0]=2 742 B9R0.7 C[C@H](O)CN[C@H](C)C(=O)N 90fad3e449890eb1c9ace917dfcc4c86 [0,1,1,0,0,0|1,0,0]=3 743 B9R0.7 C[C@H](O)CN[C@H](C)C(=O)O 43b98191e964d18ae40cd9f3d82f80ac [0,1,1,0,0,0|0,0,0]=2 744 B9R0.7 C[C@H](OCC(=O)O)C(=O)O fee1967c0e07a40963d81dc0d0074185 [0,1,1,0,0,0|1,0,1]=4 745 B9R0.7 C[C@H](OCC(F)F)C(=O)O 9fe44fc5de2fc8e2e139e64adb563814 [0,1,1,0,0,0|2,0,0]=4 746 B9R0.7 O=C(O)C(O)NCC(F)F 8aaf22bb2a60dc1efd0ad1eda063e065 [0,1,1,0,0,0|2,0,0]=4 747 B9R0.7 O=C(O)CNC(O)C(=O)O a8c737be266278e1899519c4760056de [0,1,1,0,0,0|1,0,1]=4 748 B9R0.8 C#CCNC(C)C(=O)OC 79493a8714d347ee0d461b9b042951bb [0,1,1,0,0,0|1,0,1]=4 749 B9R0.8 C#CCN[C@@H](C)C(=O)OC 8b8f97a83c723d443b206638bfb34ea5 [0,1,1,0,0,0|1,0,1]=4 750 B9R0.8 C#CCN[C@H](C)C(=O)OC 86cd9bde80b45cd85e071a58d37ec0b4 [0,1,1,0,0,0|1,0,1]=4 751 B9R0.8 CCC(=O)C(C)NCCBr 64e34f4df5f4e8d1bef3f4978862f1f8 [0,1,1,0,0,0|2,0,0]=4 752 B9R0.8 CCC(=O)C(C)NCCF 5e70f984eb2d5dc4c1903fcb0a3e2f41 [0,1,1,0,0,0|2,0,0]=4 753 B9R0.8 CCC(=O)C(C)NCCI bc4fd901bdb585c117088feb170c7ea7 [0,1,1,0,0,0|2,0,0]=4 754 B9R0.8 CCC(=O)C(C)NCCO a6ca7b75b4dcee243dcdf60254103368 [0,1,1,0,0,0|1,0,0]=3 755 B9R0.8 CCC(=O)C(C)NCCS bb59428fe74c12422654a92f73d8b77f [0,1,1,0,0,0|1,1,0]=4 756 B9R0.8 CCCNC(C)C(=O)CC 0217f82457b5f9eb91d7c99d41f3f7e0 [0,1,1,0,0,0|2,0,0]=4 757 B9R0.8 CCCNC(C)C(=O)NC 7e671fb821570ee51777de2cb4346876 [0,1,1,0,0,0|2,0,0]=4 758 B9R0.8 CCCNC(C)C(=O)OC 31247040e57fcd82f8a5006ea35f44b3 [0,1,1,0,0,0|1,0,0]=3 759 B9R0.8 CCCN[C@@H](C)C(=O)OC 59d491ac2868b6f8a0c3d1e8728d0ebe [0,1,1,0,0,0|1,0,0]=3 760 B9R0.8 CCCN[C@H](C)C(=O)OC 341714f23671a6f279f2ba9d2fc394e9 [0,1,1,0,0,0|1,0,0]=3 761 B9R0.8 CCCOC(C)C(=O)OC 6aeb6cf87a11cad68a57c617fd4dd6b3 [0,1,1,0,0,0|2,0,0]=4 762 B9R0.8 CCCO[C@@H](C)C(=O)OC 74882931e69b82142f87fd9cd5771d40 [0,1,1,0,0,0|2,0,0]=4 763 B9R0.8 CCCO[C@H](C)C(=O)OC df7cac25b325230b3fd4729465a84aae [0,1,1,0,0,0|2,0,0]=4 764 B9R0.8 CN(CCCO)C(=O)CO 5a4e94ffd18aedd02762a4d4101b67f7 [0,1,1,0,0,0|2,0,0]=4 765 B9R0.8 CNC(=O)C(C)NCCBr 04d70022f61dc3985f03392a1ed02fef [0,1,1,0,0,0|2,0,0]=4 766 B9R0.8 CNC(=O)C(C)NCCF 6975bc8f18a0b322fa3dad951c9d2ede [0,1,1,0,0,0|2,0,0]=4 767 B9R0.8 CNC(=O)C(C)NCCI f861448d15ed8e9fc626cc94e80002ed [0,1,1,0,0,0|2,0,0]=4 768 B9R0.8 CNC(=O)C(C)NCCO 6f83d014da645ae22e5c0822e45b17b2 [0,1,1,0,0,0|1,0,0]=3 769 B9R0.8 CNC(=O)C(C)NCCS 8ec31e91c5f181165dde530c6dd4fb83 [0,1,1,0,0,0|1,1,0]=4 770 B9R0.8 COC(=O)C(=O)NCCO c95a2a1ebbe11de2b9a41a25c915d3ee [0,1,1,0,0,0|1,0,1]=4 771 B9R0.8 COC(=O)C(C)CNCO 39ae0c3a7f42291995fad179d22a5a37 [0,1,1,0,0,0|2,0,0]=4 772 B9R0.8 COC(=O)C(C)NCC#N f08d4fdbcc4eb133ab632275c153f6a3 [0,1,1,0,0,0|1,0,1]=4 773 B9R0.8 COC(=O)C(C)NCCBr 318217e792ebb1d973731bba243d49af [0,1,1,0,0,0|1,0,0]=3 774 B9R0.8 COC(=O)C(C)NCCF 71d141bda7d2e6224ae3a7dfa1cc21b5 [0,1,1,0,0,0|1,0,0]=3 775 B9R0.8 COC(=O)C(C)NCCI 808cf0c74c9ef45588975ce10780d025 [0,1,1,0,0,0|1,0,0]=3 776 B9R0.8 COC(=O)C(C)NCCO 3704bd53df6df337c4b06e83d714ea07 [0,1,1,0,0,0|0,0,0]=2 777 B9R0.8 COC(=O)C(C)NCCS d967f38e4459ed498d224e4b3cdd61d6 [0,1,1,0,0,0|0,1,0]=3 778 B9R0.8 COC(=O)C(C)OCCF 100059756fd900098c62556a2ae1ce35 [0,1,1,0,0,0|2,0,0]=4 779 B9R0.8 COC(=O)C(C)OCCS e7025bf903a8d5f820d0296de478345d [0,1,1,0,0,0|1,1,0]=4 780 B9R0.8 COC(=O)[C@@H](C)NCC#N 9a1a982e5ecc8763e7fd5f330da8c87a [0,1,1,0,0,0|1,0,1]=4 781 B9R0.8 COC(=O)[C@@H](C)NCCBr a7727686203549a3c6c9f0e726c31918 [0,1,1,0,0,0|1,0,0]=3 782 B9R0.8 COC(=O)[C@@H](C)NCCF 854f6045fdda5f63c114321a012dcb77 [0,1,1,0,0,0|1,0,0]=3 783 B9R0.8 COC(=O)[C@@H](C)NCCI bff6d9e508b7c6d11972d1a2df59cf2b [0,1,1,0,0,0|1,0,0]=3 784 B9R0.8 COC(=O)[C@@H](C)NCCO b68c9ce4d70e10c92b29d39f736b232c [0,1,1,0,0,0|0,0,0]=2 785 B9R0.8 COC(=O)[C@@H](C)NCCS 16fd58839d6241df4620a33b0b32294f [0,1,1,0,0,0|0,1,0]=3 786 B9R0.8 COC(=O)[C@@H](C)OCCF d1c1991f25a8b884548cfd60d33876dd [0,1,1,0,0,0|2,0,0]=4 787 B9R0.8 COC(=O)[C@@H](C)OCCS 9ef70f4f282a66cce9dfb1e835575055 [0,1,1,0,0,0|1,1,0]=4 788 B9R0.8 COC(=O)[C@H](C)NCC#N e11abdcf62651e521fc666960c5a413f [0,1,1,0,0,0|1,0,1]=4 789 B9R0.8 COC(=O)[C@H](C)NCCBr 931d0ff08d117885f89eb4b7587512d9 [0,1,1,0,0,0|1,0,0]=3 790 B9R0.8 COC(=O)[C@H](C)NCCF 74e88c5906e78f07303f636bab0e6889 [0,1,1,0,0,0|1,0,0]=3 791 B9R0.8 COC(=O)[C@H](C)NCCI 8a19482f865475e7e3188051cf1bf197 [0,1,1,0,0,0|1,0,0]=3 792 B9R0.8 COC(=O)[C@H](C)NCCO cdd55a005482a8e8a4c2e356ff4de70b [0,1,1,0,0,0|0,0,0]=2 793 B9R0.8 COC(=O)[C@H](C)NCCS 908f3e3fb039ce6a81955ab5f0462302 [0,1,1,0,0,0|0,1,0]=3 794 B9R0.8 COC(=O)[C@H](C)OCCF 29fbfe09a06b54c89987b94c571cc4e4 [0,1,1,0,0,0|2,0,0]=4 795 B9R0.8 COC(=O)[C@H](C)OCCS cacca195083b683b3e20b6ded7274a88 [0,1,1,0,0,0|1,1,0]=4 796 B9R0.13 C#CCNC(CC)C(=O)O 4464d11a0d2df25da2b429b81c350a01 [0,1,1,0,0,0|1,0,1]=4 797 B9R0.13 C#CCNC(CCl)C(=O)O 12181ad5c67fd6d42429d2c2d454cbe9 [0,1,1,0,0,0|1,0,1]=4 798 B9R0.13 C#CCNC(CF)C(=O)O 9b8f6a3432905bcddbfcd4ff17a971bf [0,1,1,0,0,0|1,0,1]=4 799 B9R0.13 C#CCNC(CO)C(=O)O ff87d7488f1c24e3d86266ad51aa4090 [0,1,1,0,0,0|1,0,1]=4 800 B9R0.13 C#CCNC(CS)C(=O)O 4dcace9b1465b6d266ca671c1776eff3 [0,1,1,0,0,0|1,0,1]=4 801 B9R0.13 C#CCN[C@@H](CC)C(=O)O 3a91883e326d70a06c0a02c608789032 [0,1,1,0,0,0|1,0,1]=4 802 B9R0.13 C#CCN[C@@H](CCl)C(=O)O 4fc5ddedf44c84aa5c57aa90190e951c [0,1,1,0,0,0|1,0,1]=4 803 B9R0.13 C#CCN[C@@H](CO)C(=O)O 8a7a1e4486fbc85944cc2ce864047935 [0,1,1,0,0,0|1,0,1]=4 804 B9R0.13 C#CCN[C@@H](CS)C(=O)O f1bbd7835a68b8b84e6058d4f032fbb8 [0,1,1,0,0,0|1,0,1]=4 805 B9R0.13 C#CCN[C@H](CC)C(=O)O 0ed1e889e8b9f62105ff3482f421c816 [0,1,1,0,0,0|1,0,1]=4 806 B9R0.13 C#CCN[C@H](CCl)C(=O)O 1e58fdc62e2372194a0baf469fc30f4b [0,1,1,0,0,0|1,0,1]=4 807 B9R0.13 C#CCN[C@H](CO)C(=O)O 3a8d0166700cedbe1525bb8e5362ae93 [0,1,1,0,0,0|1,0,1]=4 808 B9R0.13 C#CCN[C@H](CS)C(=O)O eb62e77482822cbce03f1784a5da89da [0,1,1,0,0,0|1,0,1]=4 809 B9R0.13 C=CC(NCCC)C(=O)O a2cd77405add7f9bda10928ee4ee78ab [0,1,1,0,0,0|1,0,1]=4 810 B9R0.13 C=CC(NCCF)C(=O)O 2274d5d013dbde9e7754c74741150d4b [0,1,1,0,0,0|1,0,1]=4 811 B9R0.13 C=CC(NCCO)C(=O)O 8aa13b59b3196d2c99a7f409c2a0117a [0,1,1,0,0,0|0,0,1]=3 812 B9R0.13 C=CC(NCCS)C(=O)O 826bd1dc7ddc11b4b881bd76293ff91d [0,1,1,0,0,0|0,1,1]=4 813 B9R0.13 C=CCNC(CC)C(=O)O de481e2466eaff6f0a27732f6dfc352c [0,1,1,0,0,0|1,0,1]=4 814 B9R0.13 C=CCNC(CCl)C(=O)O 51d569ab421a7c730ad7e561c39f69e0 [0,1,1,0,0,0|1,0,1]=4 815 B9R0.13 C=CCNC(CF)C(=O)O 97345d50ac0f4b1a6a6d8829153c5052 [0,1,1,0,0,0|1,0,1]=4 816 B9R0.13 C=CCNC(CO)C(=O)O ebd5ac6e6c53346c54b338bece00fb23 [0,1,1,0,0,0|1,0,1]=4 817 B9R0.13 C=CCNC(CS)C(=O)O b4129a0343234a5d5329e18d3c102a77 [0,1,1,0,0,0|1,0,1]=4 818 B9R0.13 C=CCN[C@@H](CC)C(=O)O f74085695e69590e183acfa0aa7f80ba [0,1,1,0,0,0|1,0,1]=4 819 B9R0.13 C=CCN[C@@H](CCl)C(=O)O 9b5b719bda2bc91c4b4b7e7c9187da1d [0,1,1,0,0,0|1,0,1]=4 820 B9R0.13 C=CCN[C@@H](CO)C(=O)O b29aca030e09865f65325baf1c255358 [0,1,1,0,0,0|1,0,1]=4 821 B9R0.13 C=CCN[C@@H](CS)C(=O)O 36ae2e4970c8d105a6d95b29eb80d440 [0,1,1,0,0,0|1,0,1]=4 822 B9R0.13 C=CCN[C@H](CC)C(=O)O 7c854a9c251bf6bc5a5bfa1dcc576f30 [0,1,1,0,0,0|1,0,1]=4 823 B9R0.13 C=CCN[C@H](CCl)C(=O)O 083db315671b359169888092e2d4fd21 [0,1,1,0,0,0|1,0,1]=4 824 B9R0.13 C=CCN[C@H](CO)C(=O)O 1cf51ca28fd4c1d8fb4c1e05f8afb943 [0,1,1,0,0,0|1,0,1]=4 825 B9R0.13 C=CCN[C@H](CS)C(=O)O edfcc72971c264a736a8fb5f40c3ca0d [0,1,1,0,0,0|1,0,1]=4 826 B9R0.13 C=C[C@H](NCCC)C(=O)O 9277832a0fa493055dd9f58c3067ce63 [0,1,1,0,0,0|1,0,1]=4 827 B9R0.13 C=C[C@H](NCCF)C(=O)O d7cdefe6db65838182333b1049775429 [0,1,1,0,0,0|1,0,1]=4 828 B9R0.13 C=C[C@H](NCCO)C(=O)O 9e8aff036e8322c992299cc5f158d332 [0,1,1,0,0,0|0,0,1]=3 829 B9R0.13 C=C[C@H](NCCS)C(=O)O f0a6ea05df12ce6b900461830ee807d7 [0,1,1,0,0,0|0,1,1]=4 830 B9R0.13 CC(O)C(CO)NCCO e8e64ad42b0bb3b2298e2323a445b0f8 [0,1,1,0,0,0|1,0,1]=4 831 B9R0.13 CCC(NCC#N)C(=O)O e10882a1c386e3aa6590707cf4e760bc [0,1,1,0,0,0|1,0,1]=4 832 B9R0.13 CCC(NCC=O)C(=O)O eab17cc26ff44ad781fc369a930cc922 [0,1,1,0,0,0|0,0,2]=4 833 B9R0.13 CCC(NCCBr)C(=O)N 9d98281ceda880e1dcaeab24f6bc75e1 [0,1,1,0,0,0|2,0,0]=4 834 B9R0.13 CCC(NCCBr)C(=O)O 60b3a5cec1771b7f3abdb67726cb92d4 [0,1,1,0,0,0|1,0,0]=3 835 B9R0.13 CCC(NCCF)C(=O)N 9d7980189f37d456ed15f61f4ee67347 [0,1,1,0,0,0|2,0,0]=4 836 B9R0.13 CCC(NCCF)C(=O)O f00d042b671287c74e43c494b5cb091f [0,1,1,0,0,0|1,0,0]=3 837 B9R0.13 CCC(NCCI)C(=O)N c0115b77b4f46b846461f6bc6a2a5ec5 [0,1,1,0,0,0|2,0,0]=4 838 B9R0.13 CCC(NCCI)C(=O)O e2ba567d8906f9f386d4d3c7d9da02d9 [0,1,1,0,0,0|1,0,0]=3 839 B9R0.13 CCC(NCCO)C(=O)N 2489f70578494e60c9c27d8e919c4b89 [0,1,1,0,0,0|1,0,0]=3 840 B9R0.13 CCC(NCCO)C(=O)O 1243b32011dafc3df4fb73416c3d434f [0,1,1,0,0,0|0,0,0]=2 841 B9R0.13 CCC(NCCS)C(=O)N 18eca7cc918b80b5ea16493698ca11a4 [0,1,1,0,0,0|1,1,0]=4 842 B9R0.13 CCC(NCCS)C(=O)O cf45ba956b95450629f68d6bc51c2075 [0,1,1,0,0,0|0,1,0]=3 843 B9R0.13 CCC(NCOC)C(=O)O 29bdf399d9540f3750b5dbde7f57f2de [0,1,1,0,0,0|2,0,0]=4 844 B9R0.13 CCC(NCSC)C(=O)O d79342730ef2d3fa4148bd4194f0c1b1 [0,1,1,0,0,0|2,0,0]=4 845 B9R0.13 CCC(OCCF)C(=O)O c00ad7906612369696071846d56d58d6 [0,1,1,0,0,0|2,0,0]=4 846 B9R0.13 CCC(OCCS)C(=O)O e3af5c4fd79a95335149ab48b00e4e02 [0,1,1,0,0,0|1,1,0]=4 847 B9R0.13 CCCNC(CC)C(=O)N 667caeb7a94f8d9ae9b36913fbb97e0d [0,1,1,0,0,0|2,0,0]=4 848 B9R0.13 CCCNC(CC)C(=O)O f069c353f507c75e209c8348074371d9 [0,1,1,0,0,0|1,0,0]=3 849 B9R0.13 CCCNC(CCl)C(=O)O 83d744b2a78bac7ef1fc1246b7f75153 [0,1,1,0,0,0|1,0,0]=3 850 B9R0.13 CCCNC(CF)C(=O)O 2674f23278ea23c1a3fd9e79cc64f417 [0,1,1,0,0,0|1,0,0]=3 851 B9R0.13 CCCNC(CO)C(=O)N 9c2b75e44bd4651497cab3304501dc4c [0,1,1,0,0,0|2,0,0]=4 852 B9R0.13 CCCNC(CO)C(=O)O f78fc4da322d7ff361a6dd4f22023970 [0,1,1,0,0,0|1,0,0]=3 853 B9R0.13 CCCNC(CS)C(=O)O 7ab935d1954160e0fa48d269e73468b7 [0,1,1,0,0,0|1,0,0]=3 854 B9R0.13 CCCN[C@@H](CC)C(=O)N bb80f4d26611993ee0bd284d09039684 [0,1,1,0,0,0|2,0,0]=4 855 B9R0.13 CCCN[C@@H](CC)C(=O)O 4af529648ddb980425c401ff5a4b13f1 [0,1,1,0,0,0|1,0,0]=3 856 B9R0.13 CCCN[C@@H](CCl)C(=O)O dab0665f81f97191818ff25180caa069 [0,1,1,0,0,0|1,0,0]=3 857 B9R0.13 CCCN[C@@H](CO)C(=O)N 6615855b472bab65ebca7f72bd3cddd9 [0,1,1,0,0,0|2,0,0]=4 858 B9R0.13 CCCN[C@@H](CO)C(=O)O ddf3b03c8510fbc5ca4e2daff87a28f4 [0,1,1,0,0,0|1,0,0]=3 859 B9R0.13 CCCN[C@@H](CS)C(=O)O e3a74b3aff5bc12b4b6807001695fe2d [0,1,1,0,0,0|1,0,0]=3 860 B9R0.13 CCCN[C@H](CC)C(=O)O 61d39a4878aa39f0678d7acfbc68cb8c [0,1,1,0,0,0|1,0,0]=3 861 B9R0.13 CCCN[C@H](CCl)C(=O)O 4dc35c1012b0d0bb7903731dd1c16a51 [0,1,1,0,0,0|1,0,0]=3 862 B9R0.13 CCCN[C@H](CO)C(=O)O 8cf55344ec2a8ea73259764a0785501b [0,1,1,0,0,0|1,0,0]=3 863 B9R0.13 CCCN[C@H](CS)C(=O)O a0487dcbe4739001e1f7043af5abb830 [0,1,1,0,0,0|1,0,0]=3 864 B9R0.13 CCCOC(CC)C(=O)O 3313398866cda9d19c5a77c88cc36eb1 [0,1,1,0,0,0|2,0,0]=4 865 B9R0.13 CCCO[C@@H](CC)C(=O)O cc9a140b3b6be041090ec10f8ce0cd25 [0,1,1,0,0,0|2,0,0]=4 866 B9R0.13 CCCO[C@H](CC)C(=O)O 8d217e6f2224fafe55f85fa98a7934d5 [0,1,1,0,0,0|2,0,0]=4 867 B9R0.13 CCCO[C@H](CF)C(=O)O 29086d9c9cd694f8fc4088578e463f2a [0,1,1,0,0,0|2,0,0]=4 868 B9R0.13 CC[C@@H](CNCO)C(=O)O 68f9ed5f73d960fd989ccce413eebff8 [0,1,1,0,0,0|2,0,0]=4 869 B9R0.13 CC[C@@H](NCC#N)C(=O)O 3d674124ab682d35997b10b1012f6eaa [0,1,1,0,0,0|1,0,1]=4 870 B9R0.13 CC[C@@H](NCC=O)C(=O)O 870e753934b636a93784181fc4eacdb9 [0,1,1,0,0,0|0,0,2]=4 871 B9R0.13 CC[C@@H](NCCBr)C(=O)O bb6c187dee35d2ba390554d16dc4aa9c [0,1,1,0,0,0|1,0,0]=3 872 B9R0.13 CC[C@@H](NCCF)C(=O)O b0e08cededed6f6c7a36fd6ec86e9e11 [0,1,1,0,0,0|1,0,0]=3 873 B9R0.13 CC[C@@H](NCCI)C(=O)O 6c91d06ea51585e4b95ef8a66d270abe [0,1,1,0,0,0|1,0,0]=3 874 B9R0.13 CC[C@@H](NCCO)C(=O)O e99f1fcc90431ea7ee28ab87555e864d [0,1,1,0,0,0|0,0,0]=2 875 B9R0.13 CC[C@@H](NCCO)[C@@H](C)O aa4c5b9e7af33b0654b92fe77d24e9e3 [0,1,1,0,0,0|1,0,1]=4 876 B9R0.13 CC[C@@H](NCCO)[C@H](C)O 36b6943fe3d7707bfd899fc98fa9efb2 [0,1,1,0,0,0|1,0,1]=4 877 B9R0.13 CC[C@@H](NCCS)C(=O)O 14a5bfc0158c777ba30bd0f0cd7926c2 [0,1,1,0,0,0|0,1,0]=3 878 B9R0.13 CC[C@@H](NCOC)C(=O)O afdab15192460f324c62f62289f5efe2 [0,1,1,0,0,0|2,0,0]=4 879 B9R0.13 CC[C@@H](NCSC)C(=O)O 5454d4f202e581954955a2783886044d [0,1,1,0,0,0|2,0,0]=4 880 B9R0.13 CC[C@@H](OCCF)C(=O)O 4399f51e9aa45bac3aec0e2f73a04ce4 [0,1,1,0,0,0|2,0,0]=4 881 B9R0.13 CC[C@@H](OCCS)C(=O)O 66d55e860e2b27d00267a7f39525c672 [0,1,1,0,0,0|1,1,0]=4 882 B9R0.13 CC[C@H](NCC#N)C(=O)O 6cc8d557b5a6f0b3fd670bb0ecab1db1 [0,1,1,0,0,0|1,0,1]=4 883 B9R0.13 CC[C@H](NCC=O)C(=O)O 831eb7092855698fae849c3baaf3f89e [0,1,1,0,0,0|0,0,2]=4 884 B9R0.13 CC[C@H](NCCBr)C(=O)O e8e22504c7ea9404e3c376c4c793bb5c [0,1,1,0,0,0|1,0,0]=3 885 B9R0.13 CC[C@H](NCCF)C(=O)N 6b11b54dd459b0953fa7781edc0c8018 [0,1,1,0,0,0|2,0,0]=4 886 B9R0.13 CC[C@H](NCCF)C(=O)O d1f8996afde19b0565d59a42f964550f [0,1,1,0,0,0|1,0,0]=3 887 B9R0.13 CC[C@H](NCCI)C(=O)O 3a6efc8b485391f685b4ae297821e21f [0,1,1,0,0,0|1,0,0]=3 888 B9R0.13 CC[C@H](NCCO)C(=O)N 3b8b40a08f0784848e957ed8fa1fd003 [0,1,1,0,0,0|1,0,0]=3 889 B9R0.13 CC[C@H](NCCO)C(=O)O 1c6b8d756acf8f1db276283748fda969 [0,1,1,0,0,0|0,0,0]=2 890 B9R0.13 CC[C@H](NCCO)[C@@H](C)O 2d6e4715c3f2e8007990067c18389919 [0,1,1,0,0,0|1,0,1]=4 891 B9R0.13 CC[C@H](NCCS)C(=O)N 1fe943a78a5557e1f383d0dd293a801c [0,1,1,0,0,0|1,1,0]=4 892 B9R0.13 CC[C@H](NCCS)C(=O)O c38a05c741bf6a8c2505ebb00a626765 [0,1,1,0,0,0|0,1,0]=3 893 B9R0.13 CC[C@H](NCOC)C(=O)O 8ff3b44341478cbcc46f6485e982ee40 [0,1,1,0,0,0|2,0,0]=4 894 B9R0.13 CC[C@H](NCSC)C(=O)O 215e8fc56b12daa5ff5365fc69da45a2 [0,1,1,0,0,0|2,0,0]=4 895 B9R0.13 CC[C@H](OCCF)C(=O)O 516044a5d658494039eb40ae3a9e3d22 [0,1,1,0,0,0|2,0,0]=4 896 B9R0.13 CC[C@H](OCCS)C(=O)O d0432edc92842a426feefec6e58ff53e [0,1,1,0,0,0|1,1,0]=4 897 B9R0.13 COCNC(CCl)C(=O)O bc2b7911e3ffc38a92b959db45b56fcb [0,1,1,0,0,0|2,0,0]=4 898 B9R0.13 COCNC(CF)C(=O)O 17ec9c581488b2178360a6bce64540b8 [0,1,1,0,0,0|2,0,0]=4 899 B9R0.13 COCNC(CO)C(=O)O 1874cc910ed4120aa974979dfc2178b5 [0,1,1,0,0,0|2,0,0]=4 900 B9R0.13 COCNC(CS)C(=O)O 41e8540589127498359276d1b0f8c4ba [0,1,1,0,0,0|2,0,0]=4 901 B9R0.13 COCN[C@@H](CCl)C(=O)O 93b9c2b6ee76ff370f501f28f0ac1d50 [0,1,1,0,0,0|2,0,0]=4 902 B9R0.13 COCN[C@@H](CO)C(=O)O f3f941c7e24dfb49cce56dee2c18d303 [0,1,1,0,0,0|2,0,0]=4 903 B9R0.13 COCN[C@@H](CS)C(=O)O 8da3d51ce198a49de27ff81351b0b750 [0,1,1,0,0,0|2,0,0]=4 904 B9R0.13 COCN[C@H](CCl)C(=O)O dbb070c5669c8a55f00439f1bd0b8b35 [0,1,1,0,0,0|2,0,0]=4 905 B9R0.13 COCN[C@H](CO)C(=O)O 0f9a5cca444ea82fb1e59bae4feb5296 [0,1,1,0,0,0|2,0,0]=4 906 B9R0.13 COCN[C@H](CS)C(=O)O d62af15c7a5bd0b261774146bb080d2c [0,1,1,0,0,0|2,0,0]=4 907 B9R0.13 CSCNC(CCl)C(=O)O 8b432fd4d7ab94eb2fef292cec2f8574 [0,1,1,0,0,0|2,0,0]=4 908 B9R0.13 CSCNC(CF)C(=O)O 87551dde60a2852bcfabb1f782c8f400 [0,1,1,0,0,0|2,0,0]=4 909 B9R0.13 CSCNC(CO)C(=O)O 26eca2ee3edb87492e36d46cf8f563c3 [0,1,1,0,0,0|2,0,0]=4 910 B9R0.13 CSCNC(CS)C(=O)O 432d322a6e29321faf1a7699f31504fc [0,1,1,0,0,0|2,0,0]=4 911 B9R0.13 CSCN[C@@H](CCl)C(=O)O 4605fb1c2c2e1fd8b9ba8a49da9e5191 [0,1,1,0,0,0|2,0,0]=4 912 B9R0.13 CSCN[C@@H](CO)C(=O)O e37d633930a82736e21ad053cf8e946e [0,1,1,0,0,0|2,0,0]=4 913 B9R0.13 CSCN[C@@H](CS)C(=O)O 215b1839987bf53e53872012d9450e77 [0,1,1,0,0,0|2,0,0]=4 914 B9R0.13 CSCN[C@H](CCl)C(=O)O be9e78e0fd6beb1acc74e9f9a31792b1 [0,1,1,0,0,0|2,0,0]=4 915 B9R0.13 CSCN[C@H](CO)C(=O)O 6102b7530d697e4e2c526f3c409a0740 [0,1,1,0,0,0|2,0,0]=4 916 B9R0.13 CSCN[C@H](CS)C(=O)O bbfe372e1340b90367d8d9611995aed6 [0,1,1,0,0,0|2,0,0]=4 917 B9R0.13 C[C@@H](O)[C@@H](CO)NCCO fca54b01f9f01a535911d60fdccaa6fb [0,1,1,0,0,0|1,0,1]=4 918 B9R0.13 C[C@@H](O)[C@H](CO)NCCO 83ce3147ae3eab7b698aaab6d6c0a962 [0,1,1,0,0,0|1,0,1]=4 919 B9R0.13 C[C@H](O)[C@@H](CO)NCCO a23b1728a7617ef226536bcbc3909d9a [0,1,1,0,0,0|1,0,1]=4 920 B9R0.13 C[C@H](O)[C@H](CO)NCCO c43d2c422000cc36b10386608e6d9bb7 [0,1,1,0,0,0|1,0,1]=4 921 B9R0.13 N#CC(NCCO)C(=O)N 48acf51e5fa33499e356bf7ac04bcd79 [0,1,1,0,0,0|1,0,1]=4 922 B9R0.13 N#CCNC(CCl)C(=O)O ff61cec9aeaf85afbb74977d46bfa75d [0,1,1,0,0,0|1,0,1]=4 923 B9R0.13 N#CCNC(CF)C(=O)O bb8fe84089ae6b4a775b5012358d6bf7 [0,1,1,0,0,0|1,0,1]=4 924 B9R0.13 N#CCNC(CO)C(=O)O 524599b6b8c983dd6b923cbb162a6949 [0,1,1,0,0,0|1,0,1]=4 925 B9R0.13 N#CCNC(CS)C(=O)O 0de74e5a92f43e4290ab9df841c7168e [0,1,1,0,0,0|1,0,1]=4 926 B9R0.13 N#CCN[C@@H](CCl)C(=O)O 2c160ea8b4f5fbe5878e919bc8ee095e [0,1,1,0,0,0|1,0,1]=4 927 B9R0.13 N#CCN[C@@H](CO)C(=O)O d35d2284037f22ef0bcf2b9e44c1d8da [0,1,1,0,0,0|1,0,1]=4 928 B9R0.13 N#CCN[C@@H](CS)C(=O)O 673b5584d379fdfc80bafc3d2c720224 [0,1,1,0,0,0|1,0,1]=4 929 B9R0.13 N#CCN[C@H](CCl)C(=O)O 8178e1f6e2704a6f202ec742ad0a587e [0,1,1,0,0,0|1,0,1]=4 930 B9R0.13 N#CCN[C@H](CO)C(=O)O 893ef204087a92ad72d0b3a846217c1e [0,1,1,0,0,0|1,0,1]=4 931 B9R0.13 N#CCN[C@H](CS)C(=O)O ff7b8924b2321106ab8fa866dbbb3600 [0,1,1,0,0,0|1,0,1]=4 932 B9R0.13 NC(=O)C(CO)NCCF ffcbe71203fd831c2a58245f5a84bad2 [0,1,1,0,0,0|2,0,0]=4 933 B9R0.13 NC(=O)C(CO)NCCO 357eab16944229b8afeff7658437e19c [0,1,1,0,0,0|1,0,0]=3 934 B9R0.13 NC(=O)C(CO)NCCS 314195d6e7156a61705e9dbbc697294f [0,1,1,0,0,0|1,1,0]=4 935 B9R0.13 NC(=O)[C@H](CO)NCCF 47379f08e678d2ad6f844124c90432bc [0,1,1,0,0,0|2,0,0]=4 936 B9R0.13 NC(=O)[C@H](CO)NCCO cc81a1804ce2b1e23e58c4cf9ee22ce6 [0,1,1,0,0,0|1,0,0]=3 937 B9R0.13 NC(=O)[C@H](CO)NCCS c117ed7c2cce1b0d041623e7e4af6326 [0,1,1,0,0,0|1,1,0]=4 938 B9R0.13 O=C(O)C(CCl)NCCF 2c356734ffa57a8ab01a6197f99924a8 [0,1,1,0,0,0|1,0,0]=3 939 B9R0.13 O=C(O)C(CCl)NCCO 89432e1e94632c718ca9304944935825 [0,1,1,0,0,0|0,0,0]=2 940 B9R0.13 O=C(O)C(CCl)NCCS 8728dc05b732117ec73cc397bf0eea04 [0,1,1,0,0,0|0,1,0]=3 941 B9R0.13 O=C(O)C(CF)NCCBr d2ef9044f513a02ba584c8c7c0202984 [0,1,1,0,0,0|1,0,0]=3 942 B9R0.13 O=C(O)C(CF)NCCF e02745f04a0c3033fc1180de8def0881 [0,1,1,0,0,0|1,0,0]=3 943 B9R0.13 O=C(O)C(CF)NCCI ce2ffae01d82a5b2c282c3f0433546cb [0,1,1,0,0,0|1,0,0]=3 944 B9R0.13 O=C(O)C(CF)NCCO ef1748e871a96430d1bbfcaeeb0406e1 [0,1,1,0,0,0|0,0,0]=2 945 B9R0.13 O=C(O)C(CF)NCCS 137089b9205aa24aa4d053cc0acdb432 [0,1,1,0,0,0|0,1,0]=3 946 B9R0.13 O=C(O)C(CO)NCCBr 6abeca60a692b77b8cafe2e1d5024709 [0,1,1,0,0,0|1,0,0]=3 947 B9R0.13 O=C(O)C(CO)NCCF 42b897e2015457b5f1a8278cc6e9f98f [0,1,1,0,0,0|1,0,0]=3 948 B9R0.13 O=C(O)C(CO)NCCI c013faa7207d1068c214275e44ad694f [0,1,1,0,0,0|1,0,0]=3 949 B9R0.13 O=C(O)C(CO)NCCO bfe41a164d92a5f6b0d206689c9a7fc3 [0,1,1,0,0,0|0,0,0]=2 950 B9R0.13 O=C(O)C(CO)NCCS d8b54897a765204f458bbb487a30d60f [0,1,1,0,0,0|0,1,0]=3 951 B9R0.13 O=C(O)C(CS)NCCF 0cc74e5ec9173c5198c65cca795a074f [0,1,1,0,0,0|1,0,0]=3 952 B9R0.13 O=C(O)C(CS)NCCO b71131bc323b098a63fc9bcd8fee3114 [0,1,1,0,0,0|0,0,0]=2 953 B9R0.13 O=C(O)C(CS)NCCS 7fd89674f7e9e714139863244612756e [0,1,1,0,0,0|0,1,0]=3 954 B9R0.13 O=C(O)[C@@H](CCl)NCCF bf6c3b5146c5ba94fddf07b4e8dfc4b0 [0,1,1,0,0,0|1,0,0]=3 955 B9R0.13 O=C(O)[C@@H](CCl)NCCO 48085f9ce948efd84392bda3bd2573c9 [0,1,1,0,0,0|0,0,0]=2 956 B9R0.13 O=C(O)[C@@H](CCl)NCCS 83b06f2b39fdaa5d599bc42ec139eddd [0,1,1,0,0,0|0,1,0]=3 957 B9R0.13 O=C(O)[C@@H](CF)OCCF 14b26ccffb963c47140936305b5b668e [0,1,1,0,0,0|2,0,0]=4 958 B9R0.13 O=C(O)[C@@H](CF)OCCS 3e7c3fe0277bb5a08c4236554d2575ce [0,1,1,0,0,0|1,1,0]=4 959 B9R0.13 O=C(O)[C@@H](CO)CNCO 6e77cb6bdff4ed28b745627da4a136b5 [0,1,1,0,0,0|2,0,0]=4 960 B9R0.13 O=C(O)[C@@H](CO)NCCBr e4699c050f38deacbed430f05c1ea3a2 [0,1,1,0,0,0|1,0,0]=3 961 B9R0.13 O=C(O)[C@@H](CO)NCCF 88040c617eda2b79543ae30e3e2d3412 [0,1,1,0,0,0|1,0,0]=3 962 B9R0.13 O=C(O)[C@@H](CO)NCCI 853e5f6e4d311f764b49240c6b77fe80 [0,1,1,0,0,0|1,0,0]=3 963 B9R0.13 O=C(O)[C@@H](CO)NCCO 670f1f2a54107e4d4bcaf78e06749564 [0,1,1,0,0,0|0,0,0]=2 964 B9R0.13 O=C(O)[C@@H](CO)NCCS bfe9a49ff89df4bb89311e9014748431 [0,1,1,0,0,0|0,1,0]=3 965 B9R0.13 O=C(O)[C@@H](CS)NCCF 546e80fe98f67cd7783a6a9ebc57d5e8 [0,1,1,0,0,0|1,0,0]=3 966 B9R0.13 O=C(O)[C@@H](CS)NCCO 9a6c592976d8d96c63cb2ba59dcb7659 [0,1,1,0,0,0|0,0,0]=2 967 B9R0.13 O=C(O)[C@@H](CS)NCCS efa76c163b3c2e732eca5b20d281a7ee [0,1,1,0,0,0|0,1,0]=3 968 B9R0.13 O=C(O)[C@H](CCl)NCCF 79e348ea5069b9361756829012479e16 [0,1,1,0,0,0|1,0,0]=3 969 B9R0.13 O=C(O)[C@H](CCl)NCCO 5ea34cedfe171ab9b8d182198555b88b [0,1,1,0,0,0|0,0,0]=2 970 B9R0.13 O=C(O)[C@H](CCl)NCCS 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[0,1,1,0,0,0|2,0,0]=4 1273 B9R0.47 O=C(O)C(F)CNCCF bc27c59f49d09f14551c721c4213d464 [0,1,1,0,0,0|2,0,0]=4 1274 B9R0.47 O=C(O)C(F)CNCCO 597c59dba8debc3a750f38fb05b95366 [0,1,1,0,0,0|1,0,0]=3 1275 B9R0.47 O=C(O)C(F)CNCCS 256baf77c4e810fe87f77ab9eb17e3a1 [0,1,1,0,0,0|1,1,0]=4 1276 B9R0.47 O=C(O)C(O)CCNCO 2ba2720a3da106e551885ac55efe3c3c [0,1,1,0,0,0|2,0,0]=4 1277 B9R0.47 O=C(O)C(O)CNCCF 892296d858aed3a8b2bdced17cb03706 [0,1,1,0,0,0|2,0,0]=4 1278 B9R0.47 O=C(O)C(O)CNCCI 551ce46f1a6c4059d0ddf6cb67a2a002 [0,1,1,0,0,0|2,0,0]=4 1279 B9R0.47 O=C(O)C(O)CNCCO d2bf09f48377f15f821580767e3429b2 [0,1,1,0,0,0|1,0,0]=3 1280 B9R0.47 O=C(O)C(O)CNCCS 7a001e29e68c999b97b9febbdf61354a [0,1,1,0,0,0|1,1,0]=4 1281 B9R0.47 O=C(O)C(O)NC/C=C\O e3d190b6b32654c5af762825d9e640c6 [0,1,1,0,0,0|1,0,1]=4 1282 B9R0.47 O=C(O)C(O)NCCCF d198fc87f8a140da8525b1f899a1d113 [0,1,1,0,0,0|2,0,0]=4 1283 B9R0.47 O=C(O)C(O)NCCCO 1964c40dd265d0751cbf6e9db2c18a82 [0,1,1,0,0,0|1,0,0]=3 1284 B9R0.47 O=C(O)C(O)NCCCS 280cf89800f0c0fb2f6939e643e90d8e [0,1,1,0,0,0|1,1,0]=4 1285 B9R0.47 O=C(O)[C@@H](O)CCNCO 6291bbc1a4f2e1ea1f5c3bc5f4667f5f [0,1,1,0,0,0|2,0,0]=4 1286 B9R0.47 O=C(O)[C@@H](O)CNCCF 1f722cb60445ae222b0c65467451da98 [0,1,1,0,0,0|2,0,0]=4 1287 B9R0.47 O=C(O)[C@@H](O)CNCCI 10f6f5e94768506bcf731ced65012583 [0,1,1,0,0,0|2,0,0]=4 1288 B9R0.47 O=C(O)[C@@H](O)CNCCO cb0c725a39540e509a82a31572e081bf [0,1,1,0,0,0|1,0,0]=3 1289 B9R0.47 O=C(O)[C@@H](O)CNCCS 3c37a51c4462b5737c9d42367d0b82fa [0,1,1,0,0,0|1,1,0]=4 1290 B9R0.47 O=C(O)[C@H](O)CNCCF ffdf19b8b8a4a72db66db50281457bde [0,1,1,0,0,0|2,0,0]=4 1291 B9R0.47 O=C(O)[C@H](O)CNCCO ffc079c1bb43161077e31f96585637b4 [0,1,1,0,0,0|1,0,0]=3 1292 B9R0.47 O=C(O)[C@H](O)CNCCS aac0d2989cac0e7da0faa02ccf107405 [0,1,1,0,0,0|1,1,0]=4 1293 B9R0.47 O=CCCNC(O)C(=O)O 4e588261d8c718aec57a1325859dcc05 [0,1,1,0,0,0|1,0,1]=4 1294 B9R0.51 C#CCNC(C)(C)C(=O)O 4880e491c2e1aa8fd2179f40ead1fa12 [0,1,1,0,0,0|1,0,1]=4 1295 B9R0.51 C=CCNC(C)(C)C(=O)O 7c48e3ec7486216bc064908229fe4a3b [0,1,1,0,0,0|1,0,1]=4 1296 B9R0.51 CC(=O)C(C)(C)NCCF 0e236eb9723560ce58d3e075d9220630 [0,1,1,0,0,0|2,0,0]=4 1297 B9R0.51 CC(=O)C(C)(C)NCCO 0e9f1b45a1b122e15d3b2fd1dcfb3a8a [0,1,1,0,0,0|1,0,0]=3 1298 B9R0.51 CC(=O)C(C)(C)NCCS 341698b4512dda242cfa864c89fe9a96 [0,1,1,0,0,0|1,1,0]=4 1299 B9R0.51 CC(C)(CNCO)C(=O)O 23a22f3a4fdb7445b279c8f09970c772 [0,1,1,0,0,0|2,0,0]=4 1300 B9R0.51 CC(C)(NCC#N)C(=O)O 2b332e4fc2f9ea404847facf4c153dbd [0,1,1,0,0,0|1,0,1]=4 1301 B9R0.51 CC(C)(NCC=O)C(=O)O debfd41cc79ef81bc1e91891f74f6047 [0,1,1,0,0,0|0,0,2]=4 1302 B9R0.51 CC(C)(NCCF)C(=O)N 7249cf887f7b0866af455b7f84d8e709 [0,1,1,0,0,0|2,0,0]=4 1303 B9R0.51 CC(C)(NCCF)C(=O)O 5c50cb971d4e2bb9647e168e4fc6a354 [0,1,1,0,0,0|1,0,0]=3 1304 B9R0.51 CC(C)(NCCO)C(=O)N 77780606564910b8b3e4a14d9e95ce59 [0,1,1,0,0,0|1,0,0]=3 1305 B9R0.51 CC(C)(NCCO)C(=O)O f3b691beaf25e72cca4f57215514408f [0,1,1,0,0,0|0,0,0]=2 1306 B9R0.51 CC(C)(NCCS)C(=O)N 4e7e2a99a0406d1764ba5a695de0914c [0,1,1,0,0,0|1,1,0]=4 1307 B9R0.51 CC(C)(NCCS)C(=O)O ded5741ca79332559e2bcaeec9e84ee6 [0,1,1,0,0,0|0,1,0]=3 1308 B9R0.51 CC(O)C(C)(C)NCCO 43709f6b042a34bce0f43f44a86391ef [0,1,1,0,0,0|1,0,1]=4 1309 B9R0.51 CCCNC(C)(C)C(=O)C ca7c001ce0bc04dc4136178f7edd7d1e [0,1,1,0,0,0|2,0,0]=4 1310 B9R0.51 CCCNC(C)(C)C(=O)N 92d8a2ba5e822c4f60fc3bb4087ae5a0 [0,1,1,0,0,0|2,0,0]=4 1311 B9R0.51 CCCNC(C)(C)C(=O)O 5af6ccb529bc268255165812ab7324f1 [0,1,1,0,0,0|1,0,0]=3 1312 B9R0.51 COCNC(C)(C)C(=O)O bffdcd9b4e3f205ec7e6c81839334980 [0,1,1,0,0,0|2,0,0]=4 1313 B9R0.51 CSCNC(C)(C)C(=O)O 7f6c76c68e77ead055e537b3ec9fcb93 [0,1,1,0,0,0|2,0,0]=4 1314 B9R0.24 CCC(O)CNC(=O)CO 0928fe22cca3c4eea08bea77b1ae9315 [0,1,1,0,0,0|2,0,0]=4 1315 B9R0.24 CC[C@@H](O)CNC(=O)CO 7575280e7285d9a3f58054ddb6e7bd3c [0,1,1,0,0,0|2,0,0]=4 1316 B9R0.24 O=C(CO)NCC(O)CO 59b8d1e3f5dbb6e0d8cc49e15f524bcd [0,1,1,0,0,0|2,0,0]=4 1317 B9R0.24 O=C(CO)NC[C@@H](O)CO 7aaab2ab4025c8fed32eec6928cf259f [0,1,1,0,0,0|2,0,0]=4 1318 B9R0.24 O=C(CO)NC[C@H](O)CO 33ab51de405864fc5b6ae5961bb63355 [0,1,1,0,0,0|2,0,0]=4 1319 B9R0.43 CCC(CO)NCC(=O)O 586189b2332a32af4757091d48666a8a [0,1,1,0,0,0|2,0,0]=4 1320 B9R0.43 CC[C@@H](CO)NCC(=O)O ca5de122a401b27aebff33f963871c41 [0,1,1,0,0,0|2,0,0]=4 1321 B9R0.43 CC[C@H](CO)NCC(=O)O e8d663c48b3ee956fc556faee09136e0 [0,1,1,0,0,0|2,0,0]=4 1322 B9R0.43 O=C(O)CNC(CO)CO a2139af8eda74af59c3bc12727e73261 [0,1,1,0,0,0|2,0,0]=4 1323 B9R0.43 O=C(O)COC(CO)CO 97a0c2721b7a536eedc3657cdcee9b13 [0,1,1,0,0,0|2,0,0]=4 1324 B9R0.48 CC(CCC(=O)O)NCF a92d39df8a126f0852271a9b340958b4 [0,1,1,0,0,0|2,0,0]=4 1325 B9R0.48 CC(CCC(=O)O)OCF 8a850024bcf506861cc56e2f4b203d76 [0,1,1,0,0,0|2,0,0]=4 1326 B9R0.48 CCNC(C)CCC(=O)O 7dbe459581ff5b66cbefd9a1d696ad43 [0,1,1,0,0,0|2,0,0]=4 1327 B9R0.48 CCN[C@@H](C)CCC(=O)O c2d632f7e33174af2c524d9023ca075b [0,1,1,0,0,0|2,0,0]=4 1328 B9R0.48 CCOC(C)CCC(=O)O 31641a6cc61a92f98818e768ef37979d [0,1,1,0,0,0|2,0,0]=4 1329 B9R0.48 C[C@@H](CCC(=O)O)NCF b06f766ae4850f0433b3999a4509184a [0,1,1,0,0,0|2,0,0]=4 1330 B9R0.12 CCC(NCO)C(=O)NO 328ad804c05b893753f5e98994727068 [0,1,1,0,0,0|2,0,0]=4 1331 B9R0.12 CCN(CCO)C(=O)CO 8b9c20fafbba720038e4305ee509853b [0,1,1,0,0,0|2,0,0]=4 1332 B9R0.12 CC[C@@H](NCO)C(=O)OC e3105b67df5bad4f92666a3b6e1173c4 [0,1,1,0,0,0|2,0,0]=4 1333 B9R0.12 CC[C@H](NCO)C(=O)OC 8463a4624e847aa288aa293e75dbf577 [0,1,1,0,0,0|2,0,0]=4 1334 B9R0.15 C#CCC(NCC)C(=O)O 9155ea460438ba562f7591c5a2271356 [0,1,1,0,0,0|1,0,1]=4 1335 B9R0.15 C#CCC(NCF)C(=O)O ab06c61c54c5ef675437ece34d0c0ff0 [0,1,1,0,0,0|1,0,1]=4 1336 B9R0.15 C#CCC(NCO)C(=O)O 4c15c997bea6132c573f63a380525a8e [0,1,1,0,0,0|1,0,1]=4 1337 B9R0.15 C#CC[C@@H](NCC)C(=O)O 5cdd9a46c5f6ce07a0c5b3e4925b3a6a [0,1,1,0,0,0|1,0,1]=4 1338 B9R0.15 C#CC[C@@H](NCF)C(=O)O 049c367872aaff00689cd79881cb64ee [0,1,1,0,0,0|1,0,1]=4 1339 B9R0.15 C#CC[C@@H](NCO)C(=O)O 8fc9991b27938ecb3cefe546edd2ac15 [0,1,1,0,0,0|1,0,1]=4 1340 B9R0.15 C#CC[C@H](NCC)C(=O)O 2091e5e52fa728f14e564da788d5ce56 [0,1,1,0,0,0|1,0,1]=4 1341 B9R0.15 C#CC[C@H](NCF)C(=O)O 3f4b4d7c492931cfce73195cc5a2be53 [0,1,1,0,0,0|1,0,1]=4 1342 B9R0.15 C#CC[C@H](NCO)C(=O)O 91880b1c29d3ab227bf7c123b41d3c09 [0,1,1,0,0,0|1,0,1]=4 1343 B9R0.15 C=CCC(NCC)C(=O)O b3f29113389d44df1a0d4b3e259a33e1 [0,1,1,0,0,0|1,0,1]=4 1344 B9R0.15 C=CCC(NCF)C(=O)O 9c762411c406f0649a2af9ed6ad3b7e4 [0,1,1,0,0,0|1,0,1]=4 1345 B9R0.15 C=CCC(NCO)C(=O)O c5c07a0f2b9384b490bca7d6ad62dc43 [0,1,1,0,0,0|1,0,1]=4 1346 B9R0.15 C=CC[C@@H](NCC)C(=O)O db67da19936564e8c3e872be215c4741 [0,1,1,0,0,0|1,0,1]=4 1347 B9R0.15 C=CC[C@@H](NCF)C(=O)O 5aaf1e51ccc3809be7ec51e714da06d2 [0,1,1,0,0,0|1,0,1]=4 1348 B9R0.15 C=CC[C@@H](NCO)C(=O)O 138df747728f8cb2ddbb5e2f6f62f491 [0,1,1,0,0,0|1,0,1]=4 1349 B9R0.15 C=CC[C@H](NCC)C(=O)O 9f28a86892ba5c9cc533cac10afcbd1e [0,1,1,0,0,0|1,0,1]=4 1350 B9R0.15 C=CC[C@H](NCF)C(=O)O 573b29f4571271030cee7b9642692c53 [0,1,1,0,0,0|1,0,1]=4 1351 B9R0.15 C=CC[C@H](NCO)C(=O)O b28ebb1854ff64f7c00bc852fe26136f [0,1,1,0,0,0|1,0,1]=4 1352 B9R0.15 CC(=O)C(CCO)NC#N 76c95e551a1b2a9db720ac4101cb3c1f [0,1,1,0,0,0|1,0,1]=4 1353 B9R0.15 CCCC(NCC)C(=O)O f2e2b8b008631e59d77116738a0c0fba [0,1,1,0,0,0|1,0,0]=3 1354 B9R0.15 CCCC(NCF)C(=O)O a761550a691b0d2033ed5a224ec0bf93 [0,1,1,0,0,0|1,0,0]=3 1355 B9R0.15 CCCC(NCO)C(=O)O d20f04e5bd0411927d8cb8b68730e158 [0,1,1,0,0,0|1,0,0]=3 1356 B9R0.15 CCCC(OCC)C(=O)O 557cdda2d42ce9925ebe94072fd2dc3e [0,1,1,0,0,0|2,0,0]=4 1357 B9R0.15 CCCC(OCF)C(=O)O 98eb419f114c26a949b06da0310a79b4 [0,1,1,0,0,0|2,0,0]=4 1358 B9R0.15 CCC[C@@H](NCC)C(=O)O bcd7e5b46a98d62b8fefec1947a32cbd [0,1,1,0,0,0|1,0,0]=3 1359 B9R0.15 CCC[C@@H](NCF)C(=O)O f5fb889117053045db622dad0989ea2c [0,1,1,0,0,0|1,0,0]=3 1360 B9R0.15 CCC[C@@H](NCO)C(=O)O 44b56cdf8203a72630acb27eae0a7586 [0,1,1,0,0,0|1,0,0]=3 1361 B9R0.15 CCC[C@@H](OCC)C(=O)O e0fb7807d37784e305105182208c5882 [0,1,1,0,0,0|2,0,0]=4 1362 B9R0.15 CCC[C@@H](OCF)C(=O)O 0fddc8f62605675026660f16b0f6c451 [0,1,1,0,0,0|2,0,0]=4 1363 B9R0.15 CCC[C@H](NCC)C(=O)O 08b9411a50dce8c79cf1fe750267cab5 [0,1,1,0,0,0|1,0,0]=3 1364 B9R0.15 CCC[C@H](NCF)C(=O)O 4a11309d05dd928275914e61134cc34b [0,1,1,0,0,0|1,0,0]=3 1365 B9R0.15 CCC[C@H](NCO)C(=O)O 8ed95a9b65f6ec26fb42534a4b0d40c6 [0,1,1,0,0,0|1,0,0]=3 1366 B9R0.15 CCC[C@H](OCC)C(=O)O b55cb319009947167c9d3030186a699d [0,1,1,0,0,0|2,0,0]=4 1367 B9R0.15 CCC[C@H](OCF)C(=O)O b94eb6f69fc7fdf1f9e482b81af1a05c [0,1,1,0,0,0|2,0,0]=4 1368 B9R0.15 CCNC(CC#N)C(=O)O b593e528a3ea3783b295dff45338f1b5 [0,1,1,0,0,0|1,0,1]=4 1369 B9R0.15 CCNC(CCO)C(=O)O ec9b28400159a0f3bd4d4102030c6f94 [0,1,1,0,0,0|0,0,0]=2 1370 B9R0.15 CCNC(CCS)C(=O)O 894adeafb354342691704082b81ad183 [0,1,1,0,0,0|0,1,0]=3 1371 B9R0.15 CCNC(COC)C(=O)O 8666ffc2d75c7ef1a9c25dd7ff872719 [0,1,1,0,0,0|2,0,0]=4 1372 B9R0.15 CCNC(CSC)C(=O)O 19a2317c7b6cacebfed6854d0b061359 [0,1,1,0,0,0|2,0,0]=4 1373 B9R0.15 CCN[C@@H](CC#N)C(=O)O 87823d3a23c7cd759b53023f91b5f7b9 [0,1,1,0,0,0|1,0,1]=4 1374 B9R0.15 CCN[C@@H](CCO)C(=O)O ee1457e103a3944a0566d5c7c6bbd264 [0,1,1,0,0,0|0,0,0]=2 1375 B9R0.15 CCN[C@@H](CCS)C(=O)O eeabf13919210a3d1e14227029df672b [0,1,1,0,0,0|0,1,0]=3 1376 B9R0.15 CCN[C@@H](COC)C(=O)O fe19ee7a9399491c4ae2d5dab535745a [0,1,1,0,0,0|2,0,0]=4 1377 B9R0.15 CCN[C@@H](CSC)C(=O)O aa9492ec05f34b189864bb4d6372743a [0,1,1,0,0,0|2,0,0]=4 1378 B9R0.15 CCN[C@H](CCO)C(=O)O 27d5c4053cbd10950b990779d5c4e03c [0,1,1,0,0,0|0,0,0]=2 1379 B9R0.15 CCN[C@H](CCS)C(=O)O e4df37a7af8193f737f4aec8b2a9026e [0,1,1,0,0,0|0,1,0]=3 1380 B9R0.15 CCN[C@H](COC)C(=O)O e0a65b587066427c5ca258f9c76549c8 [0,1,1,0,0,0|2,0,0]=4 1381 B9R0.15 CCN[C@H](CSC)C(=O)O 3bbc0cc0fbe2d3b973d915bc501122dd [0,1,1,0,0,0|2,0,0]=4 1382 B9R0.15 COCC(NCF)C(=O)O e06e5eb50e0d3c51f196c4da212fb4ac [0,1,1,0,0,0|2,0,0]=4 1383 B9R0.15 COCC(NCO)C(=O)O 4881714a75bbcfc06341ef0a4750691c [0,1,1,0,0,0|2,0,0]=4 1384 B9R0.15 COC[C@@H](NCF)C(=O)O 6be1e1a67f9253ad7bd9e4c3a5359fd6 [0,1,1,0,0,0|2,0,0]=4 1385 B9R0.15 COC[C@@H](NCO)C(=O)O a0cdc9f58c45bf20f3bc2930897f7460 [0,1,1,0,0,0|2,0,0]=4 1386 B9R0.15 COC[C@H](NCF)C(=O)O b58e25a42ed29c1e16299b1416b44207 [0,1,1,0,0,0|2,0,0]=4 1387 B9R0.15 COC[C@H](NCO)C(=O)O 112787a8f22c3b626f7c108d2e6e1a27 [0,1,1,0,0,0|2,0,0]=4 1388 B9R0.15 CSCC(NCF)C(=O)O 63bef1a02e397c184f80ba222aaa4556 [0,1,1,0,0,0|2,0,0]=4 1389 B9R0.15 CSCC(NCO)C(=O)O 5736c631a92999512583c36ea1021ecc [0,1,1,0,0,0|2,0,0]=4 1390 B9R0.15 CSC[C@@H](NCF)C(=O)O 6f9bf6eb08e86bfd11bb985081e9d30a [0,1,1,0,0,0|2,0,0]=4 1391 B9R0.15 CSC[C@@H](NCO)C(=O)O a96bfc6313a6b277ce7424674c6a56cc [0,1,1,0,0,0|2,0,0]=4 1392 B9R0.15 CSC[C@H](NCF)C(=O)O 322969c090aff830d5abbce18c08c0d2 [0,1,1,0,0,0|2,0,0]=4 1393 B9R0.15 CSC[C@H](NCO)C(=O)O bc7f7b67c2dc7d3f5e4b1fd07777fd41 [0,1,1,0,0,0|2,0,0]=4 1394 B9R0.15 N#CCC(NCF)C(=O)O 5ac6072f797bd65f72a8d94f8d5e3e4f [0,1,1,0,0,0|1,0,1]=4 1395 B9R0.15 N#CCC(NCO)C(=O)O b144f66116d2efcfe22550d2e62009fa [0,1,1,0,0,0|1,0,1]=4 1396 B9R0.15 N#CC[C@H](NCF)C(=O)O ad38454656246847a6e081400beade2c [0,1,1,0,0,0|1,0,1]=4 1397 B9R0.15 N#CC[C@H](NCO)C(=O)O 0a07b4e15842af5c37713688932d784b [0,1,1,0,0,0|1,0,1]=4 1398 B9R0.15 O=C(O)C(CCO)NCF d4d90866ebc59db55967f7d0bdf11675 [0,1,1,0,0,0|0,0,0]=2 1399 B9R0.15 O=C(O)C(CCO)NCO fb714a124d86949e2b841bccdfd4fb74 [0,1,1,0,0,0|0,0,0]=2 1400 B9R0.15 O=C(O)C(CCS)NCF b1f421c633752e1de7bff0d322425e1a [0,1,1,0,0,0|0,1,0]=3 1401 B9R0.15 O=C(O)C(CCS)NCO 70c8dc8b0b45f5bcc1b48afeb69039ee [0,1,1,0,0,0|0,1,0]=3 1402 B9R0.15 O=C(O)[C@@H](CCO)NCF 281e605c9610ee8399e04decc10e78f8 [0,1,1,0,0,0|0,0,0]=2 1403 B9R0.15 O=C(O)[C@@H](CCO)NCO cce43576d0469cc14b51716d39422bde [0,1,1,0,0,0|0,0,0]=2 1404 B9R0.15 O=C(O)[C@@H](CCS)NCF b9e20d00d3b7a3d3446b644d64e94332 [0,1,1,0,0,0|0,1,0]=3 1405 B9R0.15 O=C(O)[C@@H](CCS)NCO 972abd32e07d49e5a78bd018862a3417 [0,1,1,0,0,0|0,1,0]=3 1406 B9R0.15 O=C(O)[C@H](CCO)NCF 57274abed8e6c51ed58d185b67faff0f [0,1,1,0,0,0|0,0,0]=2 1407 B9R0.15 O=C(O)[C@H](CCO)NCO 54fc6f95a1dca331a6580fef5e139ffe [0,1,1,0,0,0|0,0,0]=2 1408 B9R0.15 O=C(O)[C@H](CCS)NCF 3b270d4dd2df941f786d3788bb08b434 [0,1,1,0,0,0|0,1,0]=3 1409 B9R0.15 O=C(O)[C@H](CCS)NCO 4aabb0fb905f5a21041f432f1d3a8ead [0,1,1,0,0,0|0,1,0]=3 1410 B9R0.29 CC[C@@H](C(=O)O)N(C)CO fae2afed70cb93f8e439e6c6e3a18d7b [0,1,1,0,0,0|2,0,0]=4 1411 B9R0.33 CC(C)C(NCO)C(=O)O b07b966a7e54967497cc6a35e9d90be2 [0,1,1,0,0,0|2,0,0]=4 1412 B9R0.33 CC(C)[C@@H](NCO)C(=O)O 993b6a55ed13c43b4aee47b6817fac5f [0,1,1,0,0,0|2,0,0]=4 1413 B9R0.33 CC(C)[C@H](NCO)C(=O)O 8519f454486fed8b7b1808452aa59697 [0,1,1,0,0,0|2,0,0]=4 1414 B9R0.33 CC(F)C(NCO)C(=O)O 6bad97c85abeb2ba13b9306ae434b7a6 [0,1,1,0,0,0|2,0,0]=4 1415 B9R0.33 CC(O)C(NCO)C(=O)O 5dbe349bd6acce1b43528ebfece94f22 [0,1,1,0,0,0|2,0,0]=4 1416 B9R0.33 C[C@@H](O)[C@@H](NCO)C(=O)O e4165cc6ff0c693eea4bcdfa4b29dd24 [0,1,1,0,0,0|2,0,0]=4 1417 B9R0.33 C[C@@H](O)[C@H](NCO)C(=O)O a44eecdc2c3fcb200e5e8d6fec998e23 [0,1,1,0,0,0|2,0,0]=4 1418 B9R0.33 C[C@H](O)C(NCO)C(=O)O 60c33965c9dcda1aafe0d8b488625591 [0,1,1,0,0,0|2,0,0]=4 1419 B9R0.33 C[C@H](O)[C@@H](NCO)C(=O)O 4b755acddea367db35af71a8f8671301 [0,1,1,0,0,0|2,0,0]=4 1420 B9R0.33 C[C@H](O)[C@H](NCO)C(=O)O 670311f708733ce3ce922f0b4964e777 [0,1,1,0,0,0|2,0,0]=4 1421 B9R0.74 CCC(C)(NCO)C(=O)O 67a684fa7655fd3b4552dc54fa339345 [0,1,1,0,0,0|2,0,0]=4 1422 B9R0.74 CC[C@@](C)(NCO)C(=O)O 70da7cb3e59f382bc8b17e2731e44fe8 [0,1,1,0,0,0|2,0,0]=4 1423 B9R0.74 CC[C@](C)(NCO)C(=O)O 024772638d8c037777552487d0e83496 [0,1,1,0,0,0|2,0,0]=4 1424 B9R0.1 C=C(Br)CNCC(C)CO 138955fd3a1352de69465439f67b9ac4 [0,1,1,0,0,0|2,0,0]=4 1425 B9R0.1 C=C(Br)CNCC(C)OC a89ab7ab1fc55d12fa222457b93ca8e5 [0,1,1,0,0,0|2,0,0]=4 1426 B9R0.1 C=C(Br)CNCC(O)CC 4ff49eefc5d4f3344b24078b5812fb6a [0,1,1,0,0,0|2,0,0]=4 1427 B9R0.1 C=C(Br)CNCC(O)CF 988d1a5a30f4078494c7a38d094928e1 [0,1,1,0,0,0|2,0,0]=4 1428 B9R0.1 C=C(Br)CNCC(O)CO b11746dd8b950926dbc2f66be8520047 [0,1,1,0,0,0|2,0,0]=4 1429 B9R0.1 C=C(Br)CNC[C@@H](C)CO 44c8f0ac320f1e51d8961998018681f6 [0,1,1,0,0,0|2,0,0]=4 1430 B9R0.1 C=C(Br)CNC[C@@H](C)OC c56bb79ad4269973a5f65872fb7281b6 [0,1,1,0,0,0|2,0,0]=4 1431 B9R0.1 C=C(Br)CNC[C@@H](O)CO b34bcd22315e08ccaaa8a759673ca297 [0,1,1,0,0,0|2,0,0]=4 1432 B9R0.1 C=C(Br)CNC[C@H](C)CO a53ec75fa0eb3ac4b773d1ade9f01bb6 [0,1,1,0,0,0|2,0,0]=4 1433 B9R0.1 C=C(Br)CNC[C@H](C)OC 8ed3e8e530fcfd743d73a68203443796 [0,1,1,0,0,0|2,0,0]=4 1434 B9R0.1 C=C(Br)CNC[C@H](O)CC 7dc2f15a196901a81c904fc965862947 [0,1,1,0,0,0|2,0,0]=4 1435 B9R0.1 C=C(Br)CNC[C@H](O)CO 22ea10e6d27f61c769c2cc470f311863 [0,1,1,0,0,0|2,0,0]=4 1436 B9R0.1 C=C(C#N)CNCC(C)O 5dbb926c3b9a3b97c9fbe25b70987e8e [0,1,1,0,0,0|2,0,0]=4 1437 B9R0.1 C=C(C#N)CNC[C@@H](C)O dd072da089f394b5ef3fe2e6e16c5fb0 [0,1,1,0,0,0|2,0,0]=4 1438 B9R0.1 C=C(C#N)CNC[C@H](C)O 421077096f6b986cf5e4a4239e6418d5 [0,1,1,0,0,0|2,0,0]=4 1439 B9R0.1 C=C(C)CNCC(=O)CO 247e9010bc9651cac50f307b86ba439e [0,1,1,0,0,0|1,0,1]=4 1440 B9R0.1 C=C(C)CNCC(=O)NO 6715f0dd461108561c9ed13517cd8037 [0,1,1,0,0,0|1,0,1]=4 1441 B9R0.1 C=C(C)CNCC(=O)OC c333e980167d9fefdd828559eb49e425 [0,1,1,0,0,0|1,0,1]=4 1442 B9R0.1 C=C(C)CNCC(C)CO 05da4e225623f211434d4043e1d69ff5 [0,1,1,0,0,0|2,0,0]=4 1443 B9R0.1 C=C(C)CNCC(C)OC 04cfe500627644f332eaa2e4bb445e1d [0,1,1,0,0,0|2,0,0]=4 1444 B9R0.1 C=C(C)CNCC(O)CC 2ee1dafbd05c8cf3866bf3e2ab88c344 [0,1,1,0,0,0|2,0,0]=4 1445 B9R0.1 C=C(C)CNCC(O)CF 558753ec504f8bb6045440c42ef63ee7 [0,1,1,0,0,0|2,0,0]=4 1446 B9R0.1 C=C(C)CNCC(O)CO a31e14805758cb244090005276751c7d [0,1,1,0,0,0|2,0,0]=4 1447 B9R0.1 C=C(C)CNC[C@@H](C)CO 45e279a683a8337a2b143e6ed40eb219 [0,1,1,0,0,0|2,0,0]=4 1448 B9R0.1 C=C(C)CNC[C@@H](C)OC 0c3ced84bed29b2594b9f97d556d9e0d [0,1,1,0,0,0|2,0,0]=4 1449 B9R0.1 C=C(C)CNC[C@@H](O)CO 1040d71a8c8ad35b5b98cef46bbd7c60 [0,1,1,0,0,0|2,0,0]=4 1450 B9R0.1 C=C(C)CNC[C@H](C)CO 5aacfac0c9d6f7bf9c175c391e010b16 [0,1,1,0,0,0|2,0,0]=4 1451 B9R0.1 C=C(C)CNC[C@H](C)OC 84815574843b6d7371266807544a8e31 [0,1,1,0,0,0|2,0,0]=4 1452 B9R0.1 C=C(C)CNC[C@H](O)CC 1cd546e36201607a149497a9372ee6f8 [0,1,1,0,0,0|2,0,0]=4 1453 B9R0.1 C=C(C)CNC[C@H](O)CO 5cff038e81b647834dbe515a44b8d79c [0,1,1,0,0,0|2,0,0]=4 1454 B9R0.1 C=C(CC)CNCC(=O)O 3494cd583a0b63f9a90da7dbe9a93496 [0,1,1,0,0,0|1,0,1]=4 1455 B9R0.1 C=C(CC)CNCC(C)O 9ad70cef66f7cc9126e041697212d2f8 [0,1,1,0,0,0|2,0,0]=4 1456 B9R0.1 C=C(CC)CNC[C@@H](C)O f6b87dc1b913103a2e2c15cfea378c9c [0,1,1,0,0,0|2,0,0]=4 1457 B9R0.1 C=C(CC)CNC[C@H](C)O 375c2730045f4149617bf401beaea96b [0,1,1,0,0,0|2,0,0]=4 1458 B9R0.1 C=C(CNCC(=O)O)OC f4fd4a44109d7013bab3a36a299e88b2 [0,1,1,0,0,0|0,0,2]=4 1459 B9R0.1 C=C(CNCC(C)C)OC bf9b4f59f58eaec222a3a6cdd8a92bd5 [0,1,1,0,0,0|2,0,0]=4 1460 B9R0.1 C=C(CNCC(C)O)OC f2ce10bc8c3506268b8a2dc5bfec215d [0,1,1,0,0,0|1,0,0]=3 1461 B9R0.1 C=C(CNC[C@@H](C)O)OC 1a33465ce3ac8fff2511c4f5b7f1135e [0,1,1,0,0,0|1,0,0]=3 1462 B9R0.1 C=C(CNC[C@H](C)O)OC 1329b71bf6831cbec9b01177a58eedc3 [0,1,1,0,0,0|1,0,0]=3 1463 B9R0.1 C=C(CO)CNCC(=O)O cc7acc22e8e7c17a96eec1e4e62087c5 [0,1,1,0,0,0|0,0,2]=4 1464 B9R0.1 C=C(CO)CNCC(C)C c5e0af2295dac523f48c52a0b4209519 [0,1,1,0,0,0|2,0,0]=4 1465 B9R0.1 C=C(CO)CNCC(C)O 666f2527c598e5fbb83b03550e519004 [0,1,1,0,0,0|1,0,0]=3 1466 B9R0.1 C=C(CO)CNC[C@@H](C)O f2602544efecf528f6441846f88d8ac1 [0,1,1,0,0,0|1,0,0]=3 1467 B9R0.1 C=C(CO)CNC[C@H](C)O 54962f4550e30d9a9ef44166cc6dca06 [0,1,1,0,0,0|1,0,0]=3 1468 B9R0.1 C=C(Cl)CNCC(C)CO 3159e3e19da8b64b4efd3897a1187e4f [0,1,1,0,0,0|2,0,0]=4 1469 B9R0.1 C=C(Cl)CNCC(O)CC 4e40f748e99914c62c6cfa1d268f6630 [0,1,1,0,0,0|2,0,0]=4 1470 B9R0.1 C=C(Cl)CNCC(O)CO ce01e33a6e0066b623322193edc3d821 [0,1,1,0,0,0|2,0,0]=4 1471 B9R0.1 C=C(Cl)CNC[C@@H](C)OC 00b4ededaf8819f00bd685e55c30335d [0,1,1,0,0,0|2,0,0]=4 1472 B9R0.1 C=C(Cl)CNC[C@@H](O)CO 087ab0e46b6e9647b135259f05691b8e [0,1,1,0,0,0|2,0,0]=4 1473 B9R0.1 C=C(Cl)CNC[C@H](C)CO ce0a35898f962dec78e5d895b9114c32 [0,1,1,0,0,0|2,0,0]=4 1474 B9R0.1 C=C(Cl)CNC[C@H](C)OC 67c2215c7bb2eef4ef3488c4153454af [0,1,1,0,0,0|2,0,0]=4 1475 B9R0.1 C=C(Cl)CNC[C@H](O)CC 0c80e6f43c1c8832aa2b0c526e0eec42 [0,1,1,0,0,0|2,0,0]=4 1476 B9R0.1 C=C(Cl)CNC[C@H](O)CO 2a9916be7414b5e65f9cfb652da4159c [0,1,1,0,0,0|2,0,0]=4 1477 B9R0.1 C=C(F)CNCC(C)CO be2fff29639da750b9d993bffaeaaa8f [0,1,1,0,0,0|2,0,0]=4 1478 B9R0.1 C=C(F)CNCC(O)CC 19f94b65ebce91b585fa671cbe47e1be [0,1,1,0,0,0|2,0,0]=4 1479 B9R0.1 C=C(F)CNCC(O)CO 8257643dc000dc2a2e0a02d68f0244f6 [0,1,1,0,0,0|2,0,0]=4 1480 B9R0.1 C=C(F)CNC[C@@H](C)OC 10505c12641cbb754a9112c052fa4996 [0,1,1,0,0,0|2,0,0]=4 1481 B9R0.1 C=C(F)CNC[C@@H](O)CO db1df0ea803dfc5b3982a7782aa9937f [0,1,1,0,0,0|2,0,0]=4 1482 B9R0.1 C=C(F)CNC[C@H](C)CO 43f2d0be1092917bf548bb388952e9fc [0,1,1,0,0,0|2,0,0]=4 1483 B9R0.1 C=C(F)CNC[C@H](C)OC 89d63792bee27ca591826b18f249fa4d [0,1,1,0,0,0|2,0,0]=4 1484 B9R0.1 C=C(F)CNC[C@H](O)CC 969b2119df1cb966d40e8d5da028c640 [0,1,1,0,0,0|2,0,0]=4 1485 B9R0.1 C=C(F)CNC[C@H](O)CO 4a11bef87ca4e1098d2e4da4ebdc92b4 [0,1,1,0,0,0|2,0,0]=4 1486 B9R0.1 C=CC(C)COCC(=O)O b37de9a6da072d47f216f61c5cd125d6 [0,1,1,0,0,0|2,0,0]=4 1487 B9R0.1 C=CC(O)CNCC(=O)N 7f969e29a164f855c6376cb2e32f2f74 [0,1,1,0,0,0|1,0,1]=4 1488 B9R0.1 C=CC(O)CNCC(=O)O d0b59efe1792f320492cea2216816851 [0,1,1,0,0,0|0,0,1]=3 1489 B9R0.1 C=CC(O)CNCC(C)O 250a0738f8893561fa0bf4fc306ff879 [0,1,1,0,0,0|1,0,1]=4 1490 B9R0.1 C=CC(O)CNC[C@@H](C)O 4d3bcd699d7f87e5cad2ea1a194fcd40 [0,1,1,0,0,0|1,0,1]=4 1491 B9R0.1 C=CC(O)CNC[C@H](C)O 265c36358ddc06b7112a1d4489e2ca2a [0,1,1,0,0,0|1,0,1]=4 1492 B9R0.1 CC(=O)CNCC(=O)CO a884728253f1dbd88805a142b0c876b6 [0,1,1,0,0,0|0,0,2]=4 1493 B9R0.1 CC(=O)CNCC(C)C#N e8cf96da0757e23fec59bd9d9f21863b [0,1,1,0,0,0|2,0,0]=4 1494 B9R0.1 CC(=O)CNCC(C)CO 687573d47da7078f008452b6941cfbb6 [0,1,1,0,0,0|1,0,0]=3 1495 B9R0.1 CC(=O)CNCC(O)CF dae4f209c6741610d562bfbe54fd9b4b [0,1,1,0,0,0|1,0,0]=3 1496 B9R0.1 CC(=O)CNCC(O)CO 7df10622569579ec4e37135d617c20f8 [0,1,1,0,0,0|1,0,0]=3 1497 B9R0.1 CC(=O)CNC[C@@H](C)CO 83d4361a5af389dd1a51e847e0c228db [0,1,1,0,0,0|1,0,0]=3 1498 B9R0.1 CC(=O)CNC[C@@H](O)CO f38bd77162dcfb4e06fb2eb4600c9073 [0,1,1,0,0,0|1,0,0]=3 1499 B9R0.1 CC(=O)CNC[C@H](C)CO 0c7d13a9c50e9968d7e5477a482d94c3 [0,1,1,0,0,0|1,0,0]=3 1500 B9R0.1 CC(=O)CNC[C@H](O)CO 5a00c829e2ca3328b3583f6a763316af [0,1,1,0,0,0|1,0,0]=3 1501 B9R0.1 CC(=O)COCC(O)CO b5303e7df9e726b681ea5d404ed3bc97 [0,1,1,0,0,0|2,0,0]=4 1502 B9R0.1 CC(=O)COC[C@@H](O)CO 78cf96cbedfae3de09518ee1c5c9b9f8 [0,1,1,0,0,0|2,0,0]=4 1503 B9R0.1 CC(=O)COC[C@H](O)CO e9c68d561b4f4daa98b62962f8db89cb [0,1,1,0,0,0|2,0,0]=4 1504 B9R0.1 CC(C#N)CNCC(=O)N 716a5c371f0394ba3b881b4597899b33 [0,1,1,0,0,0|2,0,0]=4 1505 B9R0.1 CC(C#N)CNCC(=O)O 690b9c42e94c9bde7fbf2cdbf8d4eca2 [0,1,1,0,0,0|1,0,0]=3 1506 B9R0.1 CC(C#N)COCC(=O)O 5e1e962d1c3a873fc728b08a62a84674 [0,1,1,0,0,0|2,0,0]=4 1507 B9R0.1 CC(C)CNCC(=O)CO ee418b1e31d09b89331f9ca774457c43 [0,1,1,0,0,0|1,0,0]=3 1508 B9R0.1 CC(C)CNCC(=O)NO 135c365afbac52555b37c8c2533721ab [0,1,1,0,0,0|1,0,0]=3 1509 B9R0.1 CC(CO)CNCC(=O)N 1515f5dca39d8974b65c9c8e576ba458 [0,1,1,0,0,0|1,0,0]=3 1510 B9R0.1 CC(CO)CNCC(=O)O 545002bd59f1a831ceb97793e95beb08 [0,1,1,0,0,0|0,0,0]=2 1511 B9R0.1 CC(CO)CNC[C@@H](C)O af2505fa57b75db9d3136b3baafbdb52 [0,1,1,0,0,0|1,0,1]=4 1512 B9R0.1 CC(CO)CNC[C@H](C)O 47e81ecb2a52d6ac0870c65e6c741612 [0,1,1,0,0,0|1,0,1]=4 1513 B9R0.1 CC(CO)CNC[N+](=O)[O-] 215de63647f785ebe6efa8b86899d228 [0,1,1,0,0,0|1,0,1]=4 1514 B9R0.1 CC(CO)NCCC(=O)O 7af196631507732ccee08e53dff47c19 [0,1,1,0,0,0|2,0,0]=4 1515 B9R0.1 CC(O)CCNC(=O)CO bea318e52af2faf0abfc14754050cafc [0,1,1,0,0,0|2,0,0]=4 1516 B9R0.1 CC(O)CNC/C(=C/Cl)/Cl e398e635f4b5a8a0411d01fe906c0813 [0,1,1,0,0,0|2,0,0]=4 1517 B9R0.1 CC(O)CNCC(=O)CO 6b4b0f5a2695c38dccc74856e24bd074 [0,1,1,0,0,0|0,0,0]=2 1518 B9R0.1 CC(O)CNCC(=O)NO 6e73041981f85b6af4f7ae6484b1fe5b [0,1,1,0,0,0|0,0,0]=2 1519 B9R0.1 CC(O)CNCC(C)CO b578b3b6503ef5585dabddd81a94ef06 [0,1,1,0,0,0|1,0,1]=4 1520 B9R0.1 CC(O)CNCC(F)CO d4c0108ff22d26379d880aff98f4e772 [0,1,1,0,0,0|1,0,1]=4 1521 B9R0.1 CC(O)CNCC(O)CF ba8c935bf43ec0bd9c6df70fb43f4e5c [0,1,1,0,0,0|1,0,1]=4 1522 B9R0.1 CC(O)CNCC(O)CO 34956b2f4d1ab26c67115dc58a19b10c [0,1,1,0,0,0|0,0,2]=4 1523 B9R0.1 CC(O)CNC[C@@H](C)CO 52cd8533941f9881f8f8f65659d4cfbb [0,1,1,0,0,0|1,0,1]=4 1524 B9R0.1 CC(O)CNC[C@@H](F)CO c1bfaa6899f19648b684ab7dc8f54b3f [0,1,1,0,0,0|1,0,1]=4 1525 B9R0.1 CC(O)CNC[C@@H](O)CO e3183264c2c8eaeb2a8aa909d0925cf6 [0,1,1,0,0,0|0,0,2]=4 1526 B9R0.1 CC(O)CNC[C@H](C)CO b5b0c08f870e6e8468c38473c651f0b5 [0,1,1,0,0,0|1,0,1]=4 1527 B9R0.1 CC(O)CNC[C@H](F)CO d9e05bf7b5d58ef6218727295fc0b870 [0,1,1,0,0,0|1,0,1]=4 1528 B9R0.1 CC(O)CNC[C@H](O)CO 5adbc90f47c6983b35db892d684e6821 [0,1,1,0,0,0|0,0,2]=4 1529 B9R0.1 CCC(=O)CNCC(=O)O 7018cc82507b5cf3388be4a1b0a3b91b [0,1,1,0,0,0|0,0,2]=4 1530 B9R0.1 CCC(=O)CNCC(C)C f89eb8c1da421bdd2c2a0f52a3227e7b [0,1,1,0,0,0|2,0,0]=4 1531 B9R0.1 CCC(=O)CNCC(C)O a20b1e849513a8941047bd9c440c4344 [0,1,1,0,0,0|1,0,0]=3 1532 B9R0.1 CCC(=O)CNC[C@@H](C)O 2e3fedb1efa9f0f66bc486911a9f8e3a [0,1,1,0,0,0|1,0,0]=3 1533 B9R0.1 CCC(=O)CNC[C@H](C)O 61f52c4a5ade0238ce10614525e75211 [0,1,1,0,0,0|1,0,0]=3 1534 B9R0.1 CCC(C)CNCC(=O)C 38219368305ac283b328948de524c748 [0,1,1,0,0,0|2,0,0]=4 1535 B9R0.1 CCC(C)CNCC(=O)N 16522a2e22028faf802074861520249b [0,1,1,0,0,0|2,0,0]=4 1536 B9R0.1 CCC(C)CNCC(=O)O 87c69323a9e1a04a6ee6d76377703b82 [0,1,1,0,0,0|1,0,0]=3 1537 B9R0.1 CCC(C)COCC(=O)O 1a5759c434f27c176d5bad2fa82f04ef [0,1,1,0,0,0|2,0,0]=4 1538 B9R0.1 CCC(O)CNCC(=O)C ede59564767224e151ba36bea1af43f8 [0,1,1,0,0,0|1,0,0]=3 1539 B9R0.1 CCC(O)CNCC(=O)N 0115c55aa91aa51240c8355946838a03 [0,1,1,0,0,0|1,0,0]=3 1540 B9R0.1 CCC(O)CNCC(=O)O 03d5356d375bf79d740c17da46436b7f [0,1,1,0,0,0|0,0,0]=2 1541 B9R0.1 CCC(O)CNCC(C)O f9e9e374837b88a79d2fd4a7e9502440 [0,1,1,0,0,0|1,0,1]=4 1542 B9R0.1 CCC(O)CNC[C@@H](C)O e93a46e9017ba81255d29fcb8f02d039 [0,1,1,0,0,0|1,0,1]=4 1543 B9R0.1 CCC(O)CNC[C@H](C)O c3692e4e3ffac8dcd5c2ac3ffd24631b [0,1,1,0,0,0|1,0,1]=4 1544 B9R0.1 CCC(O)CNC[N+](=O)[O-] ab40c740d4cc118e83e60fa56ed91e85 [0,1,1,0,0,0|1,0,1]=4 1545 B9R0.1 CC[C@@H](C)CNCC(=O)C 57a59e48f50a2bc35515a82d8a8c3a79 [0,1,1,0,0,0|2,0,0]=4 1546 B9R0.1 CC[C@@H](C)CNCC(=O)N 86fe84e58c34c31bc79a8f984286262c [0,1,1,0,0,0|2,0,0]=4 1547 B9R0.1 CC[C@@H](C)CNCC(=O)O 98f2dd2d2950413d052b4cb7e53dbe2b [0,1,1,0,0,0|1,0,0]=3 1548 B9R0.1 CC[C@@H](C)COCC(=O)O 8b143e0422b6a9e950b67a2c284bdd65 [0,1,1,0,0,0|2,0,0]=4 1549 B9R0.1 CC[C@@H](O)CNCC(=O)N 8d91f413ccf87ad2db7b150f686cd85b [0,1,1,0,0,0|1,0,0]=3 1550 B9R0.1 CC[C@@H](O)CNCC(=O)O 03733baf1864df61afe14ccbe323ed3e [0,1,1,0,0,0|0,0,0]=2 1551 B9R0.1 CC[C@@H](O)CNCC(C)O 265477c30886e7b2c75115ac34cc90f2 [0,1,1,0,0,0|1,0,1]=4 1552 B9R0.1 CC[C@@H](O)CNC[C@@H](C)O 2a3352cedf35a97fd41377552a19c99b [0,1,1,0,0,0|1,0,1]=4 1553 B9R0.1 CC[C@@H](O)CNC[C@H](C)O 84a2edef332f32db45107038b0e1bc84 [0,1,1,0,0,0|1,0,1]=4 1554 B9R0.1 CC[C@@H](O)CNC[N+](=O)[O-] 269ab3ad582297fdd9a4268ec484f622 [0,1,1,0,0,0|1,0,1]=4 1555 B9R0.1 CC[C@H](C)CNCC(=O)C f6e69c2b87b1b94a0f2513a65f560c31 [0,1,1,0,0,0|2,0,0]=4 1556 B9R0.1 CC[C@H](C)CNCC(=O)N 1896affdbe0b42f4fa2702bb9fa0f52c [0,1,1,0,0,0|2,0,0]=4 1557 B9R0.1 CC[C@H](C)CNCC(=O)O 3004fae72bd867afedf99bbbfea959f0 [0,1,1,0,0,0|1,0,0]=3 1558 B9R0.1 CC[C@H](C)COCC(=O)O d94c701382e65cef3df369dbbe944763 [0,1,1,0,0,0|2,0,0]=4 1559 B9R0.1 CN(C)CNCC(=O)NO a3ade7df16dbcd771b06a73f3e12e552 [0,1,1,0,0,0|2,0,0]=4 1560 B9R0.1 CN(CO)CCCC(=O)O 15d2d5e0a3745bcbc8af1be8c111eca1 [0,1,1,0,0,0|2,0,0]=4 1561 B9R0.1 CNC(=O)CNCC(=O)O 85a5f672fadbc6f9ef6de9a2a956af16 [0,1,1,0,0,0|0,0,2]=4 1562 B9R0.1 CNC(=O)CNCC(C)C 3221640b219bd78ec2bb8c18ad769fcf [0,1,1,0,0,0|2,0,0]=4 1563 B9R0.1 CNC(=O)CNCC(C)O a28ef65677ab53cd6c02da4523df1161 [0,1,1,0,0,0|1,0,0]=3 1564 B9R0.1 CNC(=O)CNC[C@@H](C)O efcf8ffc667f53fed279c5d7a3af9870 [0,1,1,0,0,0|1,0,0]=3 1565 B9R0.1 CNC(=O)CNC[C@H](C)O 0c060a0a690e256b06eead82b2ad4d1e [0,1,1,0,0,0|1,0,0]=3 1566 B9R0.1 COC(=O)CNCC(=O)C 2ffbe56641f2b1b2f85d79518ab23ece [0,1,1,0,0,0|0,0,2]=4 1567 B9R0.1 COC(=O)CNCC(=O)O d413351b1bd64263dc30d4f78e9bad17 [0,1,1,0,0,0|0,0,2]=4 1568 B9R0.1 COC(=O)CNCC(C)C f4529cfb679f9748b0c64270201236cc [0,1,1,0,0,0|1,0,0]=3 1569 B9R0.1 COC(=O)CNCC(C)O 59a9a5fa9940991101df2294ecedabe2 [0,1,1,0,0,0|0,0,0]=2 1570 B9R0.1 COC(=O)CNCC(F)F 99a11b46419d1919f76e3d3e6287302f [0,1,1,0,0,0|2,0,0]=4 1571 B9R0.1 COC(=O)CNCN(C)C 0a2496fcd2e1da81aae705ca0c36b384 [0,1,1,0,0,0|2,0,0]=4 1572 B9R0.1 COC(=O)CNC[C@@H](C)O c0520f27f33031c361272483aa523927 [0,1,1,0,0,0|0,0,0]=2 1573 B9R0.1 COC(=O)CNC[C@H](C)O 0c585f1f65c56fea600dec50df736a15 [0,1,1,0,0,0|0,0,0]=2 1574 B9R0.1 COC(=O)COCC(C)C 4b1318611fb3f76585445eae1c414e70 [0,1,1,0,0,0|2,0,0]=4 1575 B9R0.1 COC(=O)COCC(C)F ded48f7273675c40dff9df77741fd995 [0,1,1,0,0,0|2,0,0]=4 1576 B9R0.1 COC(=O)COCC(C)S 972eb2e1b84baea6663e77547a586ced [0,1,1,0,0,0|1,1,0]=4 1577 B9R0.1 COC(=O)COC[C@@H](C)F 2c354a5e8fdd5505f4e964176d19fdb9 [0,1,1,0,0,0|2,0,0]=4 1578 B9R0.1 COC(=O)COC[C@H](C)F 6ebc6b533639ba961e85b641e67b20d7 [0,1,1,0,0,0|2,0,0]=4 1579 B9R0.1 COC(C)CNCC(=O)C a496551dd3631b02d91d02c1cf1f9a01 [0,1,1,0,0,0|1,0,0]=3 1580 B9R0.1 COC(C)CNCC(=O)N c406d754cedf46f953aabf5f2b6c5f83 [0,1,1,0,0,0|1,0,0]=3 1581 B9R0.1 COC(C)CNCC(=O)O dbf8e5faee7152132e5d4bb3bd4e4843 [0,1,1,0,0,0|0,0,0]=2 1582 B9R0.1 COC(C)CNCC(C)O 5fd1d65b077a8c5633f4869085479588 [0,1,1,0,0,0|1,0,1]=4 1583 B9R0.1 COC(C)CNC[C@@H](C)O 0e5e98320f401faf33be83dc51ca6dbd [0,1,1,0,0,0|1,0,1]=4 1584 B9R0.1 COC(C)CNC[C@H](C)O 936b04fea1fd5f3877817469cef5d4a7 [0,1,1,0,0,0|1,0,1]=4 1585 B9R0.1 COC(C)COCC(=O)C 3142f37743266362b2effa0bced7ba98 [0,1,1,0,0,0|2,0,0]=4 1586 B9R0.1 COC(C)COCC(=O)N 043fe304acc48d7988a07ed3f995965a [0,1,1,0,0,0|2,0,0]=4 1587 B9R0.1 COC(C)COCC(=O)O 80e727ea49a776af207e2b913ddb7306 [0,1,1,0,0,0|1,0,0]=3 1588 B9R0.1 COC(C)COCS(=O)O 5e5ef287229ea40bbf39a36b32c895f6 [0,1,1,0,0,0|2,0,0]=4 1589 B9R0.1 CO[C@@H](C)CNCC(=O)C 7198624c11de30df71b09e1e81cad62d [0,1,1,0,0,0|1,0,0]=3 1590 B9R0.1 CO[C@@H](C)CNCC(=O)N e607cb12070ca1a41a2d7ac47b7100ff [0,1,1,0,0,0|1,0,0]=3 1591 B9R0.1 CO[C@@H](C)CNCC(=O)O 65dd78747dc8a0d82266cff86cc9f8ee [0,1,1,0,0,0|0,0,0]=2 1592 B9R0.1 CO[C@@H](C)CNCC(C)O b8336d2c7e0811265104673ca2403b02 [0,1,1,0,0,0|1,0,1]=4 1593 B9R0.1 CO[C@@H](C)CNC[C@@H](C)O c61c420e0083b18ad6b3aa1a8cf646fc [0,1,1,0,0,0|1,0,1]=4 1594 B9R0.1 CO[C@@H](C)CNC[C@H](C)O eb824fd53e0aecaabde27402d7640265 [0,1,1,0,0,0|1,0,1]=4 1595 B9R0.1 CO[C@@H](C)CNC[N+](=O)[O-] 05f1afcf7ed5fae71102068845a191b8 [0,1,1,0,0,0|1,0,1]=4 1596 B9R0.1 CO[C@@H](C)COCC(=O)C 8fa47a19787c56e3041f0099c3b9f382 [0,1,1,0,0,0|2,0,0]=4 1597 B9R0.1 CO[C@@H](C)COCC(=O)N 606070aa116c4601f0bb391f8a9522c6 [0,1,1,0,0,0|2,0,0]=4 1598 B9R0.1 CO[C@@H](C)COCC(=O)O a1f6e6081969a90d511bdcf1d36c7fb3 [0,1,1,0,0,0|1,0,0]=3 1599 B9R0.1 CO[C@@H](C)COCS(=O)O 9ca31fa9648066bf445522028cd02f8a [0,1,1,0,0,0|2,0,0]=4 1600 B9R0.1 CO[C@H](C)CNCC(=O)C 8d7b3f7b6bbe18398470ba66d5033f7d [0,1,1,0,0,0|1,0,0]=3 1601 B9R0.1 CO[C@H](C)CNCC(=O)N 6f53ca4bf47d6016b38536d82bb3bea6 [0,1,1,0,0,0|1,0,0]=3 1602 B9R0.1 CO[C@H](C)CNCC(=O)O 84e5827c180a6cfe438de358774cfb15 [0,1,1,0,0,0|0,0,0]=2 1603 B9R0.1 CO[C@H](C)CNCC(C)O 01b9d06b608862427e315bcad8c32ab5 [0,1,1,0,0,0|1,0,1]=4 1604 B9R0.1 CO[C@H](C)CNC[C@@H](C)O 6cc95f121665dfaa5bd6aa1377245ac6 [0,1,1,0,0,0|1,0,1]=4 1605 B9R0.1 CO[C@H](C)CNC[C@H](C)O 1bc3d741d908f657eb5a2becb235b602 [0,1,1,0,0,0|1,0,1]=4 1606 B9R0.1 CO[C@H](C)CNC[N+](=O)[O-] b31638746f7b2de3733400e25e9fca69 [0,1,1,0,0,0|1,0,1]=4 1607 B9R0.1 CO[C@H](C)COCC(=O)C 925cd39e23e3c2b6a4f7853c64166350 [0,1,1,0,0,0|2,0,0]=4 1608 B9R0.1 CO[C@H](C)COCC(=O)N ca233f244286a0b7232c14b3d8ba2757 [0,1,1,0,0,0|2,0,0]=4 1609 B9R0.1 CO[C@H](C)COCC(=O)O 1bc7d85404b0152996a2e6730e1ced0b [0,1,1,0,0,0|1,0,0]=3 1610 B9R0.1 CO[C@H](C)COCS(=O)O 19475c8640a8c02734eb8ca4e49bb7ed [0,1,1,0,0,0|2,0,0]=4 1611 B9R0.1 C[C@@H](CO)CNCC(=O)N 95d4f46f098a8874b30eaaa2710258a6 [0,1,1,0,0,0|1,0,0]=3 1612 B9R0.1 C[C@@H](CO)CNCC(=O)O f57e9d31ced751b25fdd665565e647c4 [0,1,1,0,0,0|0,0,0]=2 1613 B9R0.1 C[C@@H](CO)CNC[C@@H](C)O 94e5d000161cd57d789b79426a54d9a9 [0,1,1,0,0,0|1,0,1]=4 1614 B9R0.1 C[C@@H](CO)CNC[C@H](C)O 6f3e572c3cb1772de670e4af4bc384a7 [0,1,1,0,0,0|1,0,1]=4 1615 B9R0.1 C[C@@H](CO)NCCC(=O)O b5ac644d36a232bdd1950d74e0718263 [0,1,1,0,0,0|2,0,0]=4 1616 B9R0.1 C[C@@H](O)CCNC(=O)CO 0f403648615901397e48f6d9f0579495 [0,1,1,0,0,0|2,0,0]=4 1617 B9R0.1 C[C@@H](O)CNC/C(=C/Cl)/Cl 91dbffc4a331bb338afe97795c641a1b [0,1,1,0,0,0|2,0,0]=4 1618 B9R0.1 C[C@@H](O)CNCC(=O)CO c4b1bfbab60225c4c1c90acf845e538d [0,1,1,0,0,0|0,0,0]=2 1619 B9R0.1 C[C@@H](O)CNCC(=O)NO 46b237d24ec9cc50d6b1a995633af109 [0,1,1,0,0,0|0,0,0]=2 1620 B9R0.1 C[C@@H](O)CNCC(F)CO b55d1eee6f3cf57afbe2a779fdb5052d [0,1,1,0,0,0|1,0,1]=4 1621 B9R0.1 C[C@@H](O)CNCC(O)CF 2a733a8052b248f30eaf7e892e96756b [0,1,1,0,0,0|1,0,1]=4 1622 B9R0.1 C[C@@H](O)CNCC(O)CO 9dbd5ff895e0b7f862ce3760046b2335 [0,1,1,0,0,0|0,0,2]=4 1623 B9R0.1 C[C@@H](O)CNC[C@@H](F)CO 93bb4c91e97942cc0a364b6b0519567c [0,1,1,0,0,0|1,0,1]=4 1624 B9R0.1 C[C@@H](O)CNC[C@@H](O)CO 1585ae6aeb22fa35838ddbe179790ff6 [0,1,1,0,0,0|0,0,2]=4 1625 B9R0.1 C[C@@H](O)CNC[C@H](F)CO f20d58c92ef9b1035f4f31f6f22e7053 [0,1,1,0,0,0|1,0,1]=4 1626 B9R0.1 C[C@@H](O)CNC[C@H](O)CO d2bbdcda3cc08b467addcf0349bc2eab [0,1,1,0,0,0|0,0,2]=4 1627 B9R0.1 C[C@H](CO)CNCC(=O)N 54d59c4b8d1eedf9603fa590919322a3 [0,1,1,0,0,0|1,0,0]=3 1628 B9R0.1 C[C@H](CO)CNCC(=O)O ce3fe074090d41b3d881458baf420cde [0,1,1,0,0,0|0,0,0]=2 1629 B9R0.1 C[C@H](CO)CNC[C@@H](C)O 48769ee9bafd9ea5d8b17fbfef36f7c1 [0,1,1,0,0,0|1,0,1]=4 1630 B9R0.1 C[C@H](CO)CNC[C@H](C)O 577c96bea6c0a93ea8722079a031d745 [0,1,1,0,0,0|1,0,1]=4 1631 B9R0.1 C[C@H](CO)CNC[N+](=O)[O-] 01ac399dd79909fbefd49bf5db75a023 [0,1,1,0,0,0|1,0,1]=4 1632 B9R0.1 C[C@H](CO)NCCC(=O)O a31ff9e016b023eff4f0af52b348f8ec [0,1,1,0,0,0|2,0,0]=4 1633 B9R0.1 C[C@H](O)CCNC(=O)CO c73ce75cfe06fe5a627e4cd5009891c1 [0,1,1,0,0,0|2,0,0]=4 1634 B9R0.1 C[C@H](O)CNC/C(=C/Cl)/Cl dafa58ce36bf615bd78257dc31cbc37c [0,1,1,0,0,0|2,0,0]=4 1635 B9R0.1 C[C@H](O)CNCC(=O)CO fdb7bd0552475296e5cbc57855b89671 [0,1,1,0,0,0|0,0,0]=2 1636 B9R0.1 C[C@H](O)CNCC(=O)NO c352129f10875414666752fe0d29f814 [0,1,1,0,0,0|0,0,0]=2 1637 B9R0.1 C[C@H](O)CNCC(F)CO 7a9c474859484abd0fb6ac1d81cc650a [0,1,1,0,0,0|1,0,1]=4 1638 B9R0.1 C[C@H](O)CNCC(O)CF 86455aff20881d8d65a57a26d011f58a [0,1,1,0,0,0|1,0,1]=4 1639 B9R0.1 C[C@H](O)CNCC(O)CO e5228eaedfee1610844a5524bcec5ffc [0,1,1,0,0,0|0,0,2]=4 1640 B9R0.1 C[C@H](O)CNC[C@@H](F)CO 76075c940e95160105820c2280e5f94d [0,1,1,0,0,0|1,0,1]=4 1641 B9R0.1 C[C@H](O)CNC[C@@H](O)CO 5dc2b2b9cc1dbcf039b439491b193adf [0,1,1,0,0,0|0,0,2]=4 1642 B9R0.1 C[C@H](O)CNC[C@H](F)CO a4cd3bf5f6c5db2b1686962043aa1c25 [0,1,1,0,0,0|1,0,1]=4 1643 B9R0.1 C[C@H](O)CNC[C@H](O)CO 48e1347117a055c157a3784f0e8d40d6 [0,1,1,0,0,0|0,0,2]=4 1644 B9R0.1 NC(=O)CNCC(Br)CBr 72f16a9d118816c5c965d7f812c6d81f [0,1,1,0,0,0|2,0,0]=4 1645 B9R0.1 NC(=O)CNCC(F)CO 57d703cf810e24eae7a888b046d6fec6 [0,1,1,0,0,0|2,0,0]=4 1646 B9R0.1 NC(=O)CNCC(O)CF 1338ba6fc5ebaf27ea5f9f606ff49f58 [0,1,1,0,0,0|1,0,0]=3 1647 B9R0.1 NC(=O)CNCC(O)CO fe4a86fd151743dd0b9ded1e0af5af8f [0,1,1,0,0,0|1,0,0]=3 1648 B9R0.1 NC(=O)CNC[C@@H](F)CO ec17e4a873171e0e831e9372020ba1a6 [0,1,1,0,0,0|2,0,0]=4 1649 B9R0.1 NC(=O)CNC[C@@H](O)CO 4fa84f02313a101ba566c64233f5bb99 [0,1,1,0,0,0|1,0,0]=3 1650 B9R0.1 NC(=O)CNC[C@H](F)CO a7c05a924b239326a1922acfb088d2f3 [0,1,1,0,0,0|2,0,0]=4 1651 B9R0.1 NC(=O)CNC[C@H](O)CO 036c84b825350672b7fa7729cd0fb014 [0,1,1,0,0,0|1,0,0]=3 1652 B9R0.1 NC(=O)COCC(O)CO e5d7c23e48aadaa516f0566aca250137 [0,1,1,0,0,0|2,0,0]=4 1653 B9R0.1 NC(=O)COC[C@@H](O)CO 09b51a3e6eabb9bb44b99d8e29a364c3 [0,1,1,0,0,0|2,0,0]=4 1654 B9R0.1 NC(=O)COC[C@H](O)CO 987eb7b52c756f8fdc68c5d9ed3f5e23 [0,1,1,0,0,0|2,0,0]=4 1655 B9R0.1 O=C(CNCC(F)F)NO 53e336ce9f495969a6827739f3043169 [0,1,1,0,0,0|2,0,0]=4 1656 B9R0.1 O=C(CO)CNCC(F)F 3055651892d668ffaeabb74c3c47ff6e [0,1,1,0,0,0|2,0,0]=4 1657 B9R0.1 O=C(O)CNCC(=O)CO 67ffc001715ccd674ca2190fd74d727d [0,1,1,0,0,0|0,0,2]=4 1658 B9R0.1 O=C(O)CNCC(=O)NO f079cb1525909f20017391ae2500bf2e [0,1,1,0,0,0|1,0,1]=4 1659 B9R0.1 O=C(O)CNCC(Br)CBr ef99ec62c4dafd35d1f7c73687c4dec8 [0,1,1,0,0,0|1,0,0]=3 1660 B9R0.1 O=C(O)CNCC(F)CO 85480065cb6f22ce4951c43a5529025b [0,1,1,0,0,0|1,0,0]=3 1661 B9R0.1 O=C(O)CNCC(O)CF 7fd10536ea2bd1a0c281f0149c46efaf [0,1,1,0,0,0|0,0,0]=2 1662 B9R0.1 O=C(O)CNCC(O)CO 5f4a685d53a0215015208fab45cb0871 [0,1,1,0,0,0|0,0,0]=2 1663 B9R0.1 O=C(O)CNC[C@@H](F)CO b256d92caab1484241eb0944f0d426c8 [0,1,1,0,0,0|1,0,0]=3 1664 B9R0.1 O=C(O)CNC[C@@H](O)CO 2e94e974e33de52da795c25edb2b7b46 [0,1,1,0,0,0|0,0,0]=2 1665 B9R0.1 O=C(O)CNC[C@H](F)CO 88b9d73cd1b06b779c0e456bbf2e093b [0,1,1,0,0,0|1,0,0]=3 1666 B9R0.1 O=C(O)CNC[C@H](O)CO 54e6a925352e55eb05de7ec2030c642a [0,1,1,0,0,0|0,0,0]=2 1667 B9R0.1 O=C(O)COCC(Br)CBr c9888022ccc9e04c0d413c09e25a4398 [0,1,1,0,0,0|2,0,0]=4 1668 B9R0.1 O=C(O)COCC(Cl)CCl 994d616ba6176a710bbd4f21d078567d [0,1,1,0,0,0|2,0,0]=4 1669 B9R0.1 O=C(O)COCC(O)CO 250d3f6a92b33993adc8c4afdc32ab2a [0,1,1,0,0,0|1,0,0]=3 1670 B9R0.1 O=C(O)COCC(S)CS b6b6009a9d63c8f64670de6b0713a6af [0,1,1,0,0,0|1,1,0]=4 1671 B9R0.1 O=C(O)COC[C@@H](O)CO 60e0a11559d7478c0b36eb2f406dfa86 [0,1,1,0,0,0|1,0,0]=3 1672 B9R0.1 O=C(O)COC[C@H](O)CO 846143e05728715a8a55aff47672ac25 [0,1,1,0,0,0|1,0,0]=3 1673 B9R0.1 O=S(O)COCC(O)CO f199cb63a274dd3500fbaab27c6a66d0 [0,1,1,0,0,0|2,0,0]=4 1674 B9R0.1 O=S(O)COC[C@@H](O)CO c26418599d510bde6813fa33eb165dca [0,1,1,0,0,0|2,0,0]=4 1675 B9R0.1 O=S(O)COC[C@H](O)CO 6f5a4c9cf6b2dc3e46db763efb23bd39 [0,1,1,0,0,0|2,0,0]=4 1676 B9R0.1 O=[N+]([O-])CNCC(O)CO 13cb08dfc075ab9a79ad990d43895b32 [0,1,1,0,0,0|1,0,1]=4 1677 B9R0.1 O=[N+]([O-])CNC[C@@H](O)CO 98de80022c7d55757341370028d68110 [0,1,1,0,0,0|1,0,1]=4 1678 B9R0.1 O=[N+]([O-])CNC[C@H](O)CO 3815176cae18cf01ca2e8a4a8a79c2bb [0,1,1,0,0,0|1,0,1]=4 1679 B9R0.53 C=C(Br)CN(C)CC(C)O a7da907e427281e0211dfb3fdd810546 [0,1,1,0,0,0|2,0,0]=4 1680 B9R0.53 C=C(Br)CN(C)C[C@H](C)O 103b7c4546dbbee03e614707ab88180e [0,1,1,0,0,0|2,0,0]=4 1681 B9R0.53 C=C(C)CN(C)CC(=O)O 4cf70052902d112170b9898763232e96 [0,1,1,0,0,0|1,0,1]=4 1682 B9R0.53 C=C(C)CN(C)CC(C)O 10942f5dbf10c2ff1e4c98b0d04c41b9 [0,1,1,0,0,0|2,0,0]=4 1683 B9R0.53 C=C(C)CN(C)C[C@H](C)O 07b3ed1e1abdcf9522397c68466ba372 [0,1,1,0,0,0|2,0,0]=4 1684 B9R0.53 C=C(Cl)CN(C)CC(C)O d5262a5dd361381b9d3159e4e6c37b77 [0,1,1,0,0,0|2,0,0]=4 1685 B9R0.53 C=C(Cl)CN(C)C[C@H](C)O ad216eb796b4eb9313ad5056db542236 [0,1,1,0,0,0|2,0,0]=4 1686 B9R0.53 CC(C)CN(C)CC(=O)N 5c9cc70a1c45a460bca69f8e74d95b33 [0,1,1,0,0,0|2,0,0]=4 1687 B9R0.53 CC(C)CN(C)CC(=O)O 8c62f4b6b1fb144868fb4d2e68a9ef67 [0,1,1,0,0,0|1,0,0]=3 1688 B9R0.53 CC(O)CN(C)CC(=O)N 0789383bf3113b2b66ba2f420a1c9ffa [0,1,1,0,0,0|1,0,0]=3 1689 B9R0.53 CC(O)CN(C)CC(=O)O 36b5f303d7d498b862a96e5f52dfaaee [0,1,1,0,0,0|0,0,0]=2 1690 B9R0.53 CC(O)CN(C)CC(C)O 9ab163968865900f972a52bf37bbbbba [0,1,1,0,0,0|1,0,1]=4 1691 B9R0.53 CC(O)CN(C)C[C@@H](C)O 46de29bb255c21232d86297cace88758 [0,1,1,0,0,0|1,0,1]=4 1692 B9R0.53 CC(O)CN(C)C[C@H](C)O 4ad6d4e274225e37fca83f8b3b7d157d [0,1,1,0,0,0|1,0,1]=4 1693 B9R0.53 CC(O)CN(C)C[N+](=O)[O-] a838c92f52d82c29174eb9f6a880ef49 [0,1,1,0,0,0|1,0,1]=4 1694 B9R0.53 CN(C)CN(C)CC(=O)O 607e109ef7149c2b024c53aa781b5121 [0,1,1,0,0,0|2,0,0]=4 1695 B9R0.53 CN(CC(=O)O)CC(=O)O 232ba4c1490720bda05df22b947a829b [0,1,1,0,0,0|1,0,1]=4 1696 B9R0.53 CN(CC(=O)O)CC(F)F c47cd36c81b539c29f59925d8656ca52 [0,1,1,0,0,0|2,0,0]=4 1697 B9R0.53 C[C@@H](O)CN(C)CC(=O)N 64d4e45be8472fd0e9cbc6e5a9974573 [0,1,1,0,0,0|1,0,0]=3 1698 B9R0.53 C[C@@H](O)CN(C)CC(=O)O 5af70c256fb5937ef5e9d353811b57e0 [0,1,1,0,0,0|0,0,0]=2 1699 B9R0.53 C[C@H](O)CN(C)CC(=O)N 816fbfffe2b5a7af4d98a7fbc3565c00 [0,1,1,0,0,0|1,0,0]=3 1700 B9R0.53 C[C@H](O)CN(C)CC(=O)O be06a32a46d065021265c880ebd02b82 [0,1,1,0,0,0|0,0,0]=2 1701 B9R0.53 C[C@H](O)CN(C)C[C@@H](C)O b30716f6a31ef437b95adb33873c8d01 [0,1,1,0,0,0|1,0,1]=4 1702 B9R0.53 C[C@H](O)CN(C)C[C@H](C)O 6d3887b19c33ccd0dd0e9628da5a7723 [0,1,1,0,0,0|1,0,1]=4 1703 B9R0.53 C[C@H](O)CN(C)C[N+](=O)[O-] 4a1473da50ca22002f24d44005446409 [0,1,1,0,0,0|1,0,1]=4 1704 B9R0.56 C=C(Br)CNCC(C)(C)O 012b66c6767c776969f6777836e71bf6 [0,1,1,0,0,0|2,0,0]=4 1705 B9R0.56 C=C(C)CNCC(C)(C)O 61935adea06a4afbd0d3404a03e43686 [0,1,1,0,0,0|2,0,0]=4 1706 B9R0.56 C=C(Cl)CNCC(C)(C)O 84e5d74742f36df507bf8d16d740635c [0,1,1,0,0,0|2,0,0]=4 1707 B9R0.56 C=C(F)CNCC(C)(C)O da76ed145a1e703d7f19455a6a5ca1ab [0,1,1,0,0,0|2,0,0]=4 1708 B9R0.56 CC(=O)CNCC(C)(C)C 5a51c105adf08d92886d7a3ab7ae9e9d [0,1,1,0,0,0|2,0,0]=4 1709 B9R0.56 CC(=O)CNCC(C)(C)F 74895cd62fe2c6ac74fb3ee8a698e2eb [0,1,1,0,0,0|2,0,0]=4 1710 B9R0.56 CC(=O)CNCC(C)(C)O 4768c2ef33c494cf1cb460ccf8992d46 [0,1,1,0,0,0|1,0,0]=3 1711 B9R0.56 CC(=O)CNCC(C)(F)F c38eb95aebf2633d2a4073a9044638ea [0,1,1,0,0,0|2,0,0]=4 1712 B9R0.56 CC(=O)COCC(C)(C)O 968af8323febdab174c481fb970167e4 [0,1,1,0,0,0|2,0,0]=4 1713 B9R0.56 CC(C)(Br)COCC(=O)O f4b3dda029b687e1e93d6714516341ca [0,1,1,0,0,0|2,0,0]=4 1714 B9R0.56 CC(C)(C)CNCC(=O)N 098c086062306af5622b8bef8d2a934d [0,1,1,0,0,0|2,0,0]=4 1715 B9R0.56 CC(C)(C)CNCC(=O)O 48484e77a3391febaff23cc27f83c632 [0,1,1,0,0,0|1,0,0]=3 1716 B9R0.56 CC(C)(C)COCC(=O)O 6343d13d7538778e6be0ee5b157d3306 [0,1,1,0,0,0|2,0,0]=4 1717 B9R0.56 CC(C)(F)CNCC(=O)N 6e629b0b5a2c8a35aea14ff5dfaa40f5 [0,1,1,0,0,0|2,0,0]=4 1718 B9R0.56 CC(C)(F)CNCC(=O)O f0045d40b935ce4307fdd8a98e27d771 [0,1,1,0,0,0|1,0,0]=3 1719 B9R0.56 CC(C)(F)COCC(=O)O f930e32e97984ceb6661cffc664ed43d [0,1,1,0,0,0|2,0,0]=4 1720 B9R0.56 CC(C)(O)CNCC(=O)N 2b661a1a86ce841cc226cde8ab51dbe1 [0,1,1,0,0,0|1,0,0]=3 1721 B9R0.56 CC(C)(O)CNCC(=O)O e151ab0ab3d97e396aa0fed6e804877e [0,1,1,0,0,0|0,0,0]=2 1722 B9R0.56 CC(C)(O)CNC[N+](=O)[O-] 619652ecb2895fde887b97b625045023 [0,1,1,0,0,0|1,0,1]=4 1723 B9R0.56 CC(C)(O)COCC(=O)N b9eb6d8c3a5311b746406f5ec85331b7 [0,1,1,0,0,0|2,0,0]=4 1724 B9R0.56 CC(C)(O)COCC(=O)O 98a41e9da098f05b7aac50d16fcdacd9 [0,1,1,0,0,0|1,0,0]=3 1725 B9R0.56 CC(C)(O)COCS(=O)O e627cfe34a99e7b40e1163e67cbd5f32 [0,1,1,0,0,0|2,0,0]=4 1726 B9R0.56 CC(C)(S)COCC(=O)O 179792a8f36e7a74693997e52ca1a93c [0,1,1,0,0,0|1,1,0]=4 1727 B9R0.56 CC(C)CNCS(=O)(=O)O 06ea36422d40a04e8d17bec6a0d1b739 [0,1,1,0,0,0|2,0,0]=4 1728 B9R0.56 CC(F)(F)CNCC(=O)N 0d2574b362f9ee1db50e69886cbf07ef [0,1,1,0,0,0|2,0,0]=4 1729 B9R0.56 CC(F)(F)CNCC(=O)O 8858e699e4dfb7eb008c121635e7625c [0,1,1,0,0,0|1,0,0]=3 1730 B9R0.56 CC(F)(F)COCC(=O)O f6411d8693ef059468f662190c6a7f1f [0,1,1,0,0,0|2,0,0]=4 1731 B9R0.56 CC(O)CNCC(C)(C)O 0bf00996e32678cc254a6456a9b49d9f [0,1,1,0,0,0|1,0,1]=4 1732 B9R0.56 CC(O)CNCS(=O)(=O)C 085f95896a8e7195a0a08d71f1d3b533 [0,1,1,0,0,0|1,0,1]=4 1733 B9R0.56 CC(O)CNCS(=O)(=O)N 5ae8918941dc1c9726c7f7ed11991eaa [0,1,1,0,0,0|1,0,1]=4 1734 B9R0.56 CC(O)CNCS(=O)(=O)O 9833777068faff11c608681308128014 [0,1,1,0,0,0|1,0,0]=3 1735 B9R0.56 CS(=O)(=O)CNCC(=O)O b3d4b916729f0f05a36cb4efab798f74 [0,1,1,0,0,0|1,0,1]=4 1736 B9R0.56 C[C@@H](O)CNCC(C)(C)O 2965a1474ef46ba45c23c23dfa8da31d [0,1,1,0,0,0|1,0,1]=4 1737 B9R0.56 C[C@@H](O)CNCS(=O)(=O)C c374bf9a26a603e2a23a23de415ab35e [0,1,1,0,0,0|1,0,1]=4 1738 B9R0.56 C[C@@H](O)CNCS(=O)(=O)N 39794fcc44f4ccd78110962ddfff4d4c [0,1,1,0,0,0|1,0,1]=4 1739 B9R0.56 C[C@@H](O)CNCS(=O)(=O)O 4a36463c0e4c45f5f46823404a9c28bb [0,1,1,0,0,0|1,0,0]=3 1740 B9R0.56 C[C@H](O)CNCC(C)(C)O 1c1d357114249daad2c78031fef5d940 [0,1,1,0,0,0|1,0,1]=4 1741 B9R0.56 C[C@H](O)CNCS(=O)(=O)C 4e5a6d8dd7c7d4030bcfa5b8c10b9e3a [0,1,1,0,0,0|1,0,1]=4 1742 B9R0.56 C[C@H](O)CNCS(=O)(=O)N c9a89961c971ca485ed24cacc7c90b8a [0,1,1,0,0,0|1,0,1]=4 1743 B9R0.56 C[C@H](O)CNCS(=O)(=O)O cf0b5af3b68f8b8d396de06968b21638 [0,1,1,0,0,0|1,0,0]=3 1744 B9R0.56 O=C(O)CNCC(F)(F)F f49d7b03a0f337b183fb20a91dd514bf [0,1,1,0,0,0|2,0,0]=4 1745 B9R0.56 O=C(O)CNCS(=O)(=O)O 06072f2cdfb3fe18c19d4842e5550970 [0,1,1,0,0,0|2,0,0]=4 1746 B9R1.7 CC1CCC(C1)NC=O 86b9d16d14b01af118f6eff98f26bcb3 [1,1,0,0,0,0|2,0,0]=4 1747 B9R1.7 O=CCN1CCC(C1)O 99e2f8a92ac31be412a249812f35919e [1,1,0,0,0,0|2,0,0]=4 1748 B9R1.7 O=CCN1CC[C@@H](C1)O 24c35e433dba4bd0d149bd5947289fc2 [1,1,0,0,0,0|2,0,0]=4 1749 B9R1.7 O=CCN1CC[C@H](C1)O ed1c58142b5d5eed74956f954dbf3a4e [1,1,0,0,0,0|2,0,0]=4 1750 B9R1.7 O=CNC1CCC(C1)O 9cc0bb9735d2014b640fab8dcfdfefc4 [1,1,0,0,0,0|1,0,0]=3 1751 B9R1.7 O=CN[C@@H]1C=C[C@@H](C1)O c84ec6168b4b883882f43f4269c92f41 [1,1,0,0,0,0|1,0,1]=4 1752 B9R1.7 O=CN[C@@H]1CC[C@@H](C1)O 6b6f95f63e2bfc66d50e9dc0e05ccf52 [1,1,0,0,0,0|1,0,0]=3 1753 B9R1.7 O=CN[C@@H]1CC[C@H](C1)O 05e9ad2eeb1cb0070327160fd3027c54 [1,1,0,0,0,0|1,0,0]=3 1754 B9R1.7 O=CN[C@H]1C=C[C@H](C1)O 3aafffd502f5d4ae0116f1b76ce04f44 [1,1,0,0,0,0|1,0,1]=4 1755 B9R1.7 O=CN[C@H]1CC[C@@H](C1)O 2acd9ee67829d57d2e126fa249833c6a [1,1,0,0,0,0|1,0,0]=3 1756 B9R1.7 O=CN[C@H]1CC[C@H](C1)O 94a849c4445c8edddaa5dbfc86e7851c [1,1,0,0,0,0|1,0,0]=3 1757 B9R1.7 OCNC1CCC(C1)O 04970dc7cb29984489bac8427620cacc [1,1,0,0,0,0|1,0,1]=4 1758 B9R1.7 OCN[C@@H]1CC[C@@H](C1)O 984af2bfb9c9f9e0d6332b30cf31695a [1,1,0,0,0,0|1,0,1]=4 1759 B9R1.7 OCN[C@@H]1CC[C@H](C1)O afea27a13e818016f99f5a817da8df49 [1,1,0,0,0,0|1,0,1]=4 1760 B9R1.7 OCN[C@H]1CC[C@@H](C1)O 6852199a4fbc26596939c10c772ddf48 [1,1,0,0,0,0|1,0,1]=4 1761 B9R1.7 OCN[C@H]1CC[C@H](C1)O c1179834f3316ea571e0ff7fd5d39d66 [1,1,0,0,0,0|1,0,1]=4 1762 B9R1.21 COC1CCN(C1)C=O eb1635d26f811d0395c1eac377e68acf [1,1,0,0,0,0|2,0,0]=4 1763 B9R1.21 CO[C@@H]1CCN(C1)C=O baabae39a3b9d32bd95572af9b467d63 [1,1,0,0,0,0|2,0,0]=4 1764 B9R1.21 CO[C@H]1CCN(C1)C=O 1345142eebbefb838f95222c23ecea5c [1,1,0,0,0,0|2,0,0]=4 1765 B9R1.21 O=CN1CCC(C1)CO 2a5ff912131a40733d604404f5dbc6a9 [1,1,0,0,0,0|2,0,0]=4 1766 B9R1.21 O=CN1CC[C@@H](C1)CO 1b5e86f32647c6df6e45e506df19b6c8 [1,1,0,0,0,0|2,0,0]=4 1767 B9R1.21 O=CN1CC[C@H](C1)CO c9a78c1ce4394e71f3a66edb1c5981a4 [1,1,0,0,0,0|2,0,0]=4 1768 B9R1.22 C[C@@H]1C[C@@H](CN1C=O)O b40143ee8e48cfd770829911a8b46f8d [1,1,0,0,0,0|2,0,0]=4 1769 B9R1.22 C[C@@H]1C[C@H](CN1C=O)O 60eb22575469d8871df9978a112b8c6d [1,1,0,0,0,0|2,0,0]=4 1770 B9R1.22 C[C@H]1C[C@@H](CN1C=O)O 8702060aeac9a43f04a897de18943e9e [1,1,0,0,0,0|2,0,0]=4 1771 B9R1.22 C[C@H]1C[C@H](CN1C=O)O 3eb89d72ebff7a41331c4a59767af0a4 [1,1,0,0,0,0|2,0,0]=4 1772 B9R1.23 CC1CN(CC1O)C=O e5049aa63a8e06f5e219ee239354308d [1,1,0,0,0,0|2,0,0]=4 1773 B9R1.23 C[C@@H]1CN(C[C@@H]1O)C=O 96d5c42bedcd59c76259b00312f00664 [1,1,0,0,0,0|2,0,0]=4 1774 B9R1.23 O=CN1CC(C(C1)Br)O 7a9b3f0baf1ec8898e5dda91681d8801 [1,1,0,0,0,0|2,0,0]=4 1775 B9R1.23 O=CN1C[C@@H]([C@H](C1)O)O f1f8443635e29a6a5f337cc881c33f14 [1,1,0,0,0,0|2,0,0]=4 1776 B9R1.23 O=CN1C[C@H]([C@@H](C1)F)O 680d418f97db34e32085e842e8567045 [1,1,0,0,0,0|2,0,0]=4 1777 B9R1.23 O=CN1C[C@H]([C@@H](C1)O)O 720a0b1a6f59cfaea3700e1da1c3a074 [1,1,0,0,0,0|2,0,0]=4 1778 B9R1.23 O=CN1C[C@H]([C@H](C1)O)O 7e365a2d05ab07e7fe3d993543cee4f5 [1,1,0,0,0,0|2,0,0]=4 1779 B9R1.132 CC1C(CCN1C=O)O 6224b15dc429c09dff767b50cb0be4d8 [1,1,0,0,0,0|2,0,0]=4 1780 B9R1.132 C[C@@H]1[C@@H](CCN1C=O)O 3c7246ef7fbf0f5b38ead5c398cfb526 [1,1,0,0,0,0|2,0,0]=4 1781 B9R1.132 C[C@H]1[C@H](CCN1C=O)O d9842832849031601c0df07d9d01d0a4 [1,1,0,0,0,0|2,0,0]=4 1782 B9R1.133 CC1(CCN(C1)C=O)O ed609225dbf3e401e54c9b8123074805 [1,1,0,0,0,0|2,0,0]=4 1783 B9R1.133 C[C@@]1(CCN(C1)C=O)O 1e7d7a2982c76195d47d7e585ac485ab [1,1,0,0,0,0|2,0,0]=4 1784 B9R1.133 C[C@]1(CCN(C1)C=O)O 55932c546564fed0baf55c2db4231011 [1,1,0,0,0,0|2,0,0]=4 1785 B9R1.82 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CO[C@H]1CCN(C1)CC(=O)O 0ca1691839d3e46ac2e3839c60693c12 [0,1,0,0,0,1|2,0,0]=4 1861 B11R1.43 CO[C@H]1CC[C@H](C1)NC(=O)C 9da61c9bd0a74bf90a203c8a1a9f1fa6 [0,1,0,0,0,1|2,0,0]=4 1862 B11R1.43 O=C(O)CC1CCN(C1)CO f31a0e4253eab7b45ed40735f7768c93 [0,1,0,0,0,1|2,0,0]=4 1863 B11R1.43 O=C(O)CN1CCC(C1)CO 36dd509de7954fe1cf0c2c128435caf0 [0,1,0,0,0,1|2,0,0]=4 1864 B11R1.43 O=C(O)CN1CC[C@@H](C1)CO 30613f725558b003d2be78c9f250f22c [0,1,0,0,0,1|2,0,0]=4 1865 B11R1.43 O=C(O)CN1CC[C@H](C1)CO cfad40c8aed35facc8af44b375b5cdd5 [0,1,0,0,0,1|2,0,0]=4 1866 B11R1.43 O=C(O)C[C@@H]1CCN(C1)CO d84441fe358f54853b1ea97dcd34b178 [0,1,0,0,0,1|2,0,0]=4 1867 B11R1.43 O=C(O)C[C@H]1CCN(C1)CO 8d5fdbb959aecd0f4edc23345aa2aa30 [0,1,0,0,0,1|2,0,0]=4 1868 B11R1.80 CC1CN(CC1O)CC(=O)O 50069c51367afc0c5f4fa2b6ae076300 [0,1,0,0,0,1|2,0,0]=4 1869 B11R1.80 C[C@@H]1CN(C[C@@H]1O)CC(=O)O 45d799423237fec4413ad0319f98e4d9 [0,1,0,0,0,1|2,0,0]=4 1870 B11R1.80 O=C(O)CN1CC(C(C1)Br)O 40b87360455e7a4e1ff0d7d633a88e69 [0,1,0,0,0,1|2,0,0]=4 1871 B11R1.80 O=C(O)CN1C[C@@H]([C@H](C1)O)O 20d4b1f4d3ca5ec284ceffaf9c8a86db [0,1,0,0,0,1|2,0,0]=4 1872 B11R1.80 O=C(O)CN1C[C@H]([C@@H](C1)F)O 8c32b2e73233e28a70dd98f91fb06e0f [0,1,0,0,0,1|2,0,0]=4 1873 B11R1.80 O=C(O)CN1C[C@H]([C@@H](C1)O)O bdd216d84fac2051bd7aa9e4a521079f [0,1,0,0,0,1|2,0,0]=4 1874 B11R1.80 O=C(O)CN1C[C@H]([C@H](C1)O)O f2c9a6e11b35da072e2fa6aeb57407f9 [0,1,0,0,0,1|2,0,0]=4 1875 B11R1.313 CC1C(CCN1CC(=O)O)O 027f7a9d3e364d40f593f2ca6063316d [0,1,0,0,0,1|2,0,0]=4 1876 B11R1.313 C[C@@H]1[C@@H](CCN1CC(=O)O)O cc6ac21c98b705816d21ff94a7475db9 [0,1,0,0,0,1|2,0,0]=4 1877 B11R1.313 C[C@H]1[C@H](CCN1CC(=O)O)O bf39d673616a4042c12a9618547d11c0 [0,1,0,0,0,1|2,0,0]=4 1878 B11R1.314 CC(=O)N(C)C1CCC(C1)O 41b3cf755a8391e61990f8053d06bd66 [0,1,0,0,0,1|2,0,0]=4 1879 B11R1.314 CC(=O)N(C)[C@@H]1CC[C@@H](C1)O ccad72b16fef4a355f90c5d0d142a6b7 [0,1,0,0,0,1|2,0,0]=4 1880 B11R1.314 CC(C(=O)O)N1CCC(C1)O 940f3549782b327ef9ceef2da2665391 [0,1,0,0,0,1|2,0,0]=4 1881 B11R1.314 CC(C(=O)O)N1CC[C@@H](C1)O 12f64fa84d111b038ee7f05285de7361 [0,1,0,0,0,1|2,0,0]=4 1882 B11R1.314 CC(C(=O)O)N1CC[C@H](C1)O bc4c36ccae8ff54c7260874e0987cbec [0,1,0,0,0,1|2,0,0]=4 1883 B11R1.314 C[C@@H](C(=O)O)N1CCC(C1)O 055773115d9837b979b3f8235be05b0d [0,1,0,0,0,1|2,0,0]=4 1884 B11R1.314 C[C@@H](C(=O)O)N1CC[C@@H](C1)O a335217b16cb2062a590050deb897927 [0,1,0,0,0,1|2,0,0]=4 1885 B11R1.314 C[C@@H](C(=O)O)N1CC[C@H](C1)O 8a16405a85f88f73011832d42675e7db [0,1,0,0,0,1|2,0,0]=4 1886 B11R1.314 C[C@H](C(=O)O)N1CCC(C1)O 1bf16fb2e4ad6ddef614aac56e5650e4 [0,1,0,0,0,1|2,0,0]=4 1887 B11R1.314 C[C@H](C(=O)O)N1CC[C@@H](C1)O cfad71f91162f59e9676884509e7426f [0,1,0,0,0,1|2,0,0]=4 1888 B11R1.314 C[C@H](C(=O)O)N1CC[C@H](C1)O dea945f3425424ed4d9a85b05a285bd2 [0,1,0,0,0,1|2,0,0]=4 1889 B11R1.645 C[C@@H]1C[C@@H](CN1CC(=O)O)O 3fe4b39a5fca8a98740f08829eab5e27 [0,1,0,0,0,1|2,0,0]=4 1890 B11R1.645 C[C@@H]1C[C@H](CN1CC(=O)O)O 9a0384689eb4114a280e838d1b6c063d [0,1,0,0,0,1|2,0,0]=4 1891 B11R1.645 C[C@H]1C[C@@H](CN1CC(=O)O)O cfe427217c99af61255cba0dbb6110c9 [0,1,0,0,0,1|2,0,0]=4 1892 B11R1.645 C[C@H]1C[C@H](CN1CC(=O)O)O ae29a23d23808038cb09266e20912ef7 [0,1,0,0,0,1|2,0,0]=4 1893 B11R1.710 CC1(CCN(C1)CC(=O)O)O 667a99d544ca64b129e4f2164542120c [0,1,0,0,0,1|2,0,0]=4 1894 B11R1.710 C[C@@]1(CCN(C1)CC(=O)O)O 4fb32a42a1e7ccfc11dd345ba47e7a91 [0,1,0,0,0,1|2,0,0]=4 1895 B11R1.710 C[C@]1(CCN(C1)CC(=O)O)O 89bd8434c86ee908a742b1faac26447e [0,1,0,0,0,1|2,0,0]=4 1896 B11R1.23 O=C(CO)N1CCCC(C1)O 53a11ced452d3f968c076c6ae31253b7 [0,1,0,0,0,1|2,0,0]=4 1897 B11R1.23 O=C(CO)N1CCC[C@@H](C1)O dc55870d5eb9500a412b83203631bb62 [0,1,0,0,0,1|2,0,0]=4 1898 B11R1.23 O=C(CO)N1CCC[C@H](C1)O 368cdb7c0947334a1aeb848b99d4f50a [0,1,0,0,0,1|2,0,0]=4 1899 B11R1.266 O=C(O)C1CCCN(C1)CO a381596e32adf8b77f4338b0827e1d91 [0,1,0,0,0,1|2,0,0]=4 1900 B11R1.266 O=C(O)C1CN(CCO1)CO d91aca615dde01f9532a06b93e2da032 [0,1,0,0,0,1|2,0,0]=4 1901 B11R1.266 O=C(O)C1CN(CCS1)CO e9f549281efb943bf9da7d0d1077ad20 [0,1,0,0,0,1|2,0,0]=4 1902 B11R1.266 O=C(O)[C@@H]1CCCN(C1)CO 8a48e3e9d2eb67d5157b280cd20198f9 [0,1,0,0,0,1|2,0,0]=4 1903 B11R1.266 O=C(O)[C@@H]1CN(CCO1)CO 891d48a91a43e6af78418133bd8688a5 [0,1,0,0,0,1|2,0,0]=4 1904 B11R1.266 O=C(O)[C@H]1CCCN(C1)CO a47d0df0535c253180a62abd6b0ecb6a [0,1,0,0,0,1|2,0,0]=4 1905 B11R1.266 O=C(O)[C@H]1CN(CCO1)CO 00b42d1fa9b8c202dca340c8eca31860 [0,1,0,0,0,1|2,0,0]=4 1906 B11R1.15 COCC(=O)N1CCC(C1)O ceb034ec7701bf6cb9e6acd32be5fd08 [0,2,0,0,0,0|2,0,0]=4 1907 B11R1.15 COCC(=O)N1CC[C@@H](C1)O 83de01add421142acb5f5334849f46ab [0,2,0,0,0,0|2,0,0]=4 1908 B11R1.15 COCC(=O)N1CC[C@H](C1)O f17e182506202858642027287a79cf83 [0,2,0,0,0,0|2,0,0]=4 1909 B11R1.15 NOCC(=O)N1CCC(C1)O cda77108dd8def715f81fac5cc8c760f [0,2,0,0,0,0|2,0,0]=4 1910 B11R1.15 NOCC(=O)N1CC[C@@H](C1)O 20a3602b910a77bdc562c00bc2f68699 [0,2,0,0,0,0|2,0,0]=4 1911 B11R1.15 NOCC(=O)N1CC[C@H](C1)O f26b0142d177d3e0bf34abb54be86724 [0,2,0,0,0,0|2,0,0]=4 1912 B11R1.15 O=C(CCO)N1CCC(C1)O 1fd9527eb7292c604898c549c1b8b5bc [0,2,0,0,0,0|2,0,0]=4 1913 B11R1.15 O=C(CCO)N1CC[C@@H](C1)O a555b7b54ce0ca4a4ecb8e1bd4021a24 [0,2,0,0,0,0|2,0,0]=4 1914 B11R1.15 O=C(CCO)N1CC[C@H](C1)O 60746db14e34786236bb5bfccf6e5882 [0,2,0,0,0,0|2,0,0]=4 1915 B11R1.44 COC(=O)C1CCN(C1)CO 04b31db22699d0ed11c1d3bbfb56a570 [0,2,0,0,0,0|2,0,0]=4 1916 B11R1.44 COC(=O)[C@@H]1CCN(C1)CO 4ff1cba63dd605b00ce13765a03d1c08 [0,2,0,0,0,0|2,0,0]=4 1917 B11R1.44 COC(=O)[C@H]1CCN(C1)CO 1fa5a03b05f643b6ac84153a5241b26b [0,2,0,0,0,0|2,0,0]=4 1918 B11R1.44 COC1CCN(C1)C(=O)CO 972fd081c7736390f607aa362ac08d82 [0,2,0,0,0,0|2,0,0]=4 1919 B11R1.44 CO[C@@H]1CCN(C1)C(=O)CO 898f6246da47ebfb717af6739b483e53 [0,2,0,0,0,0|2,0,0]=4 1920 B11R1.44 CO[C@H]1CCN(C1)C(=O)CO e0e7a6a3ecb3d732dc7befbd7274b4c2 [0,2,0,0,0,0|2,0,0]=4 1921 B11R1.44 O=C(CO)N1CCC(C1)CO 8dc84e717687776658f8b9e7caaa3cec [0,2,0,0,0,0|2,0,0]=4 1922 B11R1.44 O=C(CO)N1CC[C@@H](C1)CO d50a94b391a2ddc6d1c74d1b092b8eab [0,2,0,0,0,0|2,0,0]=4 1923 B11R1.44 O=C(CO)N1CC[C@H](C1)CO 84c8b26e50f08fb5664a005227028b4a [0,2,0,0,0,0|2,0,0]=4 1924 B11R1.225 C[C@@H]1C[C@@H](CN1C(=O)CO)O 49baa8cd9400a0d7cef407877a7c1cd0 [0,2,0,0,0,0|2,0,0]=4 1925 B11R1.225 C[C@@H]1C[C@H](CN1C(=O)CO)O e413a6876c0546e24b53d20d5ed6aa10 [0,2,0,0,0,0|2,0,0]=4 1926 B11R1.225 C[C@H]1C[C@@H](CN1C(=O)CO)O bdd02667c901d9520e0a46c9d17af475 [0,2,0,0,0,0|2,0,0]=4 1927 B11R1.225 C[C@H]1C[C@H](CN1C(=O)CO)O d58cde7818689c2f06bfac0b6aad8500 [0,2,0,0,0,0|2,0,0]=4 1928 B11R1.226 CC1CN(CC1O)C(=O)CO f524de6519367de331e785e74b91063b [0,2,0,0,0,0|2,0,0]=4 1929 B11R1.226 C[C@@H]1CN(C[C@@H]1O)C(=O)CO 85654e9b727e74f3da0aee40f3985e85 [0,2,0,0,0,0|2,0,0]=4 1930 B11R1.226 O=C(CO)N1CC(C(C1)Br)O e5dccab21c624b03ad83fa847a44bed9 [0,2,0,0,0,0|2,0,0]=4 1931 B11R1.226 O=C(CO)N1C[C@@H]([C@H](C1)O)O 5c8aeec1913681517cfe4c5d113ba922 [0,2,0,0,0,0|2,0,0]=4 1932 B11R1.226 O=C(CO)N1C[C@H]([C@@H](C1)F)O 616c9aa9fbed3ceff663c2cfa8d98233 [0,2,0,0,0,0|2,0,0]=4 1933 B11R1.226 O=C(CO)N1C[C@H]([C@@H](C1)O)O eb64dc078cfa6921caf7736e3d4d84bf [0,2,0,0,0,0|2,0,0]=4 1934 B11R1.226 O=C(CO)N1C[C@H]([C@H](C1)O)O c44cc0a676a40b398e03e02d6173fe75 [0,2,0,0,0,0|2,0,0]=4 1935 B11R1.865 CC1C(CCN1C(=O)CO)O c605c17d359456cc5234bb340183a0d0 [0,2,0,0,0,0|2,0,0]=4 1936 B11R1.865 C[C@@H]1[C@@H](CCN1C(=O)CO)O 353f78c45fffc94d6ae8d07052889d1b [0,2,0,0,0,0|2,0,0]=4 1937 B11R1.865 C[C@H]1[C@H](CCN1C(=O)CO)O 8cb3511a3d6ddb22874ed8957b2822c2 [0,2,0,0,0,0|2,0,0]=4 1938 B11R1.866 CC1(CCN(C1)C(=O)CO)O 655d7fcdf10412fa29492a315d870b6f [0,2,0,0,0,0|2,0,0]=4 1939 B11R1.866 C[C@@]1(CCN(C1)C(=O)CO)O df35bea9d06105239e6c5fbb75980c41 [0,2,0,0,0,0|2,0,0]=4 1940 B11R1.866 C[C@]1(CCN(C1)C(=O)CO)O 1ac615bcc53a92f360cfa2ca8951588b [0,2,0,0,0,0|2,0,0]=4 1941 B11R1.50 CC1CN(CC1C(=O)O)CO 2929ae8223568eb58ef394ad2fcf2043 [0,2,0,0,0,0|2,0,0]=4 1942 B11R1.50 C[C@H]1CN(C[C@H]1C(=O)O)CO f3dea965cbe94b6a8dd78c66acf476ac [0,2,0,0,0,0|2,0,0]=4 1943 B11R1.124 CCNC1CCC(C1)C(=O)O 8a32177e05f38c3811851d2f49ef5522 [0,2,0,0,0,0|2,0,0]=4 1944 B11R1.124 CCN[C@@H]1CC[C@@H](C1)C(=O)O e7e3b1762a14d8784b53e835bcc25e83 [0,2,0,0,0,0|2,0,0]=4 1945 B11R1.124 CCN[C@@H]1CC[C@H](C1)C(=O)O 9f7dcb7e6933010f42d1a423e4ec32d6 [0,2,0,0,0,0|2,0,0]=4 1946 B11R1.124 CCN[C@H]1CC[C@@H](C1)C(=O)O f1d4a8fc9dcb3ed49175ba69ea4366f3 [0,2,0,0,0,0|2,0,0]=4 1947 B11R1.124 CCN[C@H]1CC[C@H](C1)C(=O)O 3e2cefc860eaf3d2a67e665161acd3fa [0,2,0,0,0,0|2,0,0]=4 1948 B11R1.124 CCOC1CCC(C1)C(=O)O 86af6eb36c87a7444d960bd2c4c650d0 [0,2,0,0,0,0|1,0,0]=3 1949 B11R1.124 CCOC1CSC(O1)C(=O)O c65d607c84ba6caad4edcd2cb66e94ef [0,2,0,0,0,0|2,0,0]=4 1950 B11R1.124 CCO[C@@H]1CC[C@@H](C1)C(=O)O 54f622e4e633f49f0d461b8256af8593 [0,2,0,0,0,0|1,0,0]=3 1951 B11R1.124 CCO[C@@H]1CC[C@H](C1)C(=O)O 42ca338ff930d0894841ecff9ee89c70 [0,2,0,0,0,0|1,0,0]=3 1952 B11R1.124 CCO[C@H]1CC[C@@H](C1)C(=O)O 41c318617516a60d965d51435ee5c3de [0,2,0,0,0,0|1,0,0]=3 1953 B11R1.124 CCO[C@H]1CC[C@H](C1)C(=O)O c106c74419daa459f04264af8c285c7a [0,2,0,0,0,0|1,0,0]=3 1954 B11R1.124 COCN1CCC(C1)C(=O)O 0f848fb20f596af9f29e75b05c585e17 [0,2,0,0,0,0|2,0,0]=4 1955 B11R1.124 COCN1CC[C@@H](C1)C(=O)O a7b8cd2961f98448e733dfa697671537 [0,2,0,0,0,0|2,0,0]=4 1956 B11R1.124 COCN1CC[C@H](C1)C(=O)O 1173552c3a6a7886ab37dcbbacaac032 [0,2,0,0,0,0|2,0,0]=4 1957 B11R1.124 N#CNC1CCC(C1)C(=O)O 8a0d0450699ef681fb45749d9f632ef0 [0,2,0,0,0,0|2,0,0]=4 1958 B11R1.124 NC(=O)C1CCC(C1)NCO 63fcc0a58a5f671669e5c281d1d3e6b5 [0,2,0,0,0,0|2,0,0]=4 1959 B11R1.124 NC(=O)[C@@H]1CC[C@@H](C1)NCO 3e7e0b35ed165f623cde4036d5681c64 [0,2,0,0,0,0|2,0,0]=4 1960 B11R1.124 NC(=O)[C@@H]1CC[C@H](C1)NCO 65f8bf8b0aec6dc0206ebcf599634e2d [0,2,0,0,0,0|2,0,0]=4 1961 B11R1.124 NC(=O)[C@H]1CC[C@@H](C1)NCO 7a9b99ca4a2f5989168453879f9e3482 [0,2,0,0,0,0|2,0,0]=4 1962 B11R1.124 NC(=O)[C@H]1CC[C@H](C1)NCO 117d8df7f8a5d5e780d22f025590d3f6 [0,2,0,0,0,0|2,0,0]=4 1963 B11R1.124 O=C(O)C1C=CC(C1)NCO 7e69c5e9abb39d1c531fbc4100b6882f [0,2,0,0,0,0|1,0,1]=4 1964 B11R1.124 O=C(O)C1CCC(C1)NCF f70bd6be0a811088038783384e2678fe [0,2,0,0,0,0|2,0,0]=4 1965 B11R1.124 O=C(O)C1CCC(C1)NCO b62cc43cd18f972aad5899d0ce7ffaf7 [0,2,0,0,0,0|1,0,0]=3 1966 B11R1.124 O=C(O)C1CCC(C1)OCF b42fac8cdd540aaec6224c034d644860 [0,2,0,0,0,0|1,0,0]=3 1967 B11R1.124 O=C(O)C1CCN(C1)CCO 7fdb450b440bb8b33fafa5b534302657 [0,2,0,0,0,0|2,0,0]=4 1968 B11R1.124 O=C(O)C1OC(CS1)OCF d9d906c260b7c0842c2ad17918e0148d [0,2,0,0,0,0|2,0,0]=4 1969 B11R1.124 O=C(O)[C@@H]1C=C[C@@H](C1)NCO 70556e4c4bf18d9ed24871bf07647b96 [0,2,0,0,0,0|1,0,1]=4 1970 B11R1.124 O=C(O)[C@@H]1CCN(C1)CCO 0e55f3e145890c2603667c5c8cb20d88 [0,2,0,0,0,0|2,0,0]=4 1971 B11R1.124 O=C(O)[C@@H]1CC[C@@H](C1)NCF 5ee6404c3a05b1240103486e8cdf10a5 [0,2,0,0,0,0|2,0,0]=4 1972 B11R1.124 O=C(O)[C@@H]1CC[C@@H](C1)NCO 82a686ca772b5684edb3185fd2a0d8a4 [0,2,0,0,0,0|1,0,0]=3 1973 B11R1.124 O=C(O)[C@@H]1CC[C@@H](C1)OCF dd7a5586532f60bd8d0ac3ada6365f78 [0,2,0,0,0,0|1,0,0]=3 1974 B11R1.124 O=C(O)[C@@H]1CC[C@H](C1)NCF a2132214728792ab59f5c899c7eb5cb1 [0,2,0,0,0,0|2,0,0]=4 1975 B11R1.124 O=C(O)[C@@H]1CC[C@H](C1)NCO d8064306f12d5b451e799446c0b34e2c [0,2,0,0,0,0|1,0,0]=3 1976 B11R1.124 O=C(O)[C@@H]1CC[C@H](C1)OCF f60469806def02edb245481d43cfb5f3 [0,2,0,0,0,0|1,0,0]=3 1977 B11R1.124 O=C(O)[C@H]1C=C[C@H](C1)NCO 6534f1e3f8a63f06ce3c237f31c3e1e4 [0,2,0,0,0,0|1,0,1]=4 1978 B11R1.124 O=C(O)[C@H]1CCN(C1)CCO 62510ec389da0c8195aa16a13a341f1c [0,2,0,0,0,0|2,0,0]=4 1979 B11R1.124 O=C(O)[C@H]1CC[C@@H](C1)NCF 324581668bd1252f9d499fa9f1bc5fda [0,2,0,0,0,0|2,0,0]=4 1980 B11R1.124 O=C(O)[C@H]1CC[C@@H](C1)NCO 68924ecd7c6f43a3048d6b0091f65911 [0,2,0,0,0,0|1,0,0]=3 1981 B11R1.124 O=C(O)[C@H]1CC[C@@H](C1)OCF 0b99a6bed2cddfa2b5d66c7507850aa7 [0,2,0,0,0,0|1,0,0]=3 1982 B11R1.124 O=C(O)[C@H]1CC[C@H](C1)NCF 48d09c22177d0fe1fd197444e9522591 [0,2,0,0,0,0|2,0,0]=4 1983 B11R1.124 O=C(O)[C@H]1CC[C@H](C1)NCO 0b80b9625817ecf095056dd4f3c6ad92 [0,2,0,0,0,0|1,0,0]=3 1984 B11R1.124 O=C(O)[C@H]1CC[C@H](C1)OCF 0e591c7872c528a75d39be4e398a34cb [0,2,0,0,0,0|1,0,0]=3 1985 B11R1.473 C[C@@H]1[C@H](CCN1CO)C(=O)O 0ef64188c20b6f4b6a509eb49284deb4 [0,2,0,0,0,0|2,0,0]=4 1986 B11R1.1229 CC1(CCN(C1)CO)C(=O)O c4fb1084aeb8d9cfd5be156c63792c02 [0,2,0,0,0,0|2,0,0]=4 1987 B11R1.1229 C[C@@]1(CCN(C1)CO)C(=O)O d9fcdde4554b1a6cb22839a5a0fd5287 [0,2,0,0,0,0|2,0,0]=4 1988 B11R1.1229 C[C@]1(CCN(C1)CO)C(=O)O bf834f569d3b930564fd1beb289937e8 [0,2,0,0,0,0|2,0,0]=4 1989 B11R1.1229 O=C(O)C1(CCN(C1)CO)F 5394d9f59357cfb5869f1d2278379696 [0,2,0,0,0,0|2,0,0]=4 1990 B11R1.1229 O=C(O)C1(CCN(C1)CO)O b4af36cbde804c809ad6bf3fe075c75b [0,2,0,0,0,0|2,0,0]=4 1991 B11R1.49 CC1CC(N(C1)CF)C(=O)O ed807f4d5e2c10e9511e12de15427deb [0,2,0,0,0,0|1,0,0]=3 1992 B11R1.49 CC1CC(N(C1)CO)C(=O)O c08087eec317cd391972a69628f3e822 [0,2,0,0,0,0|1,0,0]=3 1993 B11R1.49 CCN1CC(=O)C[C@@H]1C(=O)O 595159ac670d3ac4fb6e555c3d0c5d6e [0,2,0,0,0,0|0,0,2]=4 1994 B11R1.49 CCN1CC(=O)C[C@H]1C(=O)O e93a971333f8c0f03e40ad63c74beec8 [0,2,0,0,0,0|0,0,2]=4 1995 B11R1.49 CCN1CC(CC1C(=O)N)O f47f15db4001af90ed3836abc4cde5d8 [0,2,0,0,0,0|1,0,0]=3 1996 B11R1.49 CCN1CC(CC1C(=O)O)C bb01de55fbeb56537612f7a8bbc2cd94 [0,2,0,0,0,0|1,0,0]=3 1997 B11R1.49 CCN1CC(CC1C(=O)O)F f30e2ba42a43ffd3e580c8aa4989fb9f [0,2,0,0,0,0|1,0,0]=3 1998 B11R1.49 CCN1CC(CC1C(=O)O)O 019c8f069c80e5eb4a5a23fd0e7fc495 [0,2,0,0,0,0|0,0,0]=2 1999 B11R1.49 CCN1C[C@@H](C[C@@H]1C(=O)O)F 087e745286d29729b755eb808a075d7e [0,2,0,0,0,0|1,0,0]=3 2000 B11R1.49 CCN1C[C@@H](C[C@@H]1C(=O)O)O f2af1e03a8d3a059496973ee668b87a6 [0,2,0,0,0,0|0,0,0]=2 2001 B11R1.49 CCN1C[C@@H](C[C@H]1C(=O)N)O e80ed0aea619dfb3bf9b1169555b8bab [0,2,0,0,0,0|1,0,0]=3 2002 B11R1.49 CCN1C[C@@H](C[C@H]1C(=O)O)F 5b20be64730953ac1b4ab7965a4f7425 [0,2,0,0,0,0|1,0,0]=3 2003 B11R1.49 CCN1C[C@@H](C[C@H]1C(=O)O)O 7e4cb7bc191462e3dbd9f5ad0511f76c [0,2,0,0,0,0|0,0,0]=2 2004 B11R1.49 CCN1C[C@H](C[C@@H]1C(=O)O)F 66354419b7a0c5d028f5abe161a04c8f [0,2,0,0,0,0|1,0,0]=3 2005 B11R1.49 CCN1C[C@H](C[C@@H]1C(=O)O)O c5a47a6ff3f43fab4dddd1318646fe82 [0,2,0,0,0,0|0,0,0]=2 2006 B11R1.49 CCN1C[C@H](C[C@H]1C(=O)N)F 8b21878d0c34c09902135993246587f5 [0,2,0,0,0,0|2,0,0]=4 2007 B11R1.49 CCN1C[C@H](C[C@H]1C(=O)O)C b538ec52340da5598fc048f616de605d [0,2,0,0,0,0|1,0,0]=3 2008 B11R1.49 CCN1C[C@H](C[C@H]1C(=O)O)F 61fd5632aa5ab884af2e5cecea6e949e [0,2,0,0,0,0|1,0,0]=3 2009 B11R1.49 CCN1C[C@H](C[C@H]1C(=O)O)O e999d6da7568d74f9ff9770757e40fa4 [0,2,0,0,0,0|0,0,0]=2 2010 B11R1.49 CCN1C[C@H](C[C@H]1C(=O)O)S ebf3dd56d7c23a53361af035214b459d [0,2,0,0,0,0|0,1,0]=3 2011 B11R1.49 C[C@H]1C[C@H](N(C1)CF)C(=O)O 664778f63fd5d9111e187cfe95ee7aa6 [0,2,0,0,0,0|1,0,0]=3 2012 B11R1.49 C[C@H]1C[C@H](N(C1)CO)C(=O)O 6b154a4f914ec3b7dd98e9f25e782b88 [0,2,0,0,0,0|1,0,0]=3 2013 B11R1.49 NC(=O)C1CC(CN1C=O)O d6752424c366d1a83250fed03a5de7a3 [0,2,0,0,0,0|1,0,0]=3 2014 B11R1.49 NC(=O)C1CC(CN1CF)O 17dd3a6056daede3d901ffc6a52402dd [0,2,0,0,0,0|1,0,0]=3 2015 B11R1.49 NC(=O)C1CC(CN1CO)O d0442817e601304399d9867533037a6e [0,2,0,0,0,0|1,0,0]=3 2016 B11R1.49 NC(=O)[C@@H]1C[C@@H](CN1C=O)F dd5ab169b074c0fad3a36441e920aba6 [0,2,0,0,0,0|2,0,0]=4 2017 B11R1.49 NC(=O)[C@@H]1C[C@@H](CN1CF)F af84ca737dc4d9215f51df0881560a2c [0,2,0,0,0,0|2,0,0]=4 2018 B11R1.49 NC(=O)[C@@H]1C[C@@H](CN1CO)F b4ab979475ef25ab22503f2755cde2b5 [0,2,0,0,0,0|2,0,0]=4 2019 B11R1.49 NC(=O)[C@@H]1C[C@H](CN1C=O)O 2032383fc20828764cc2154400703e79 [0,2,0,0,0,0|1,0,0]=3 2020 B11R1.49 NC(=O)[C@@H]1C[C@H](CN1CF)O 3518d36850082aa84ceb8d5695a02469 [0,2,0,0,0,0|1,0,0]=3 2021 B11R1.49 NC(=O)[C@@H]1C[C@H](CN1CO)O a50309f40c9ea5953b48b25c57359cfb [0,2,0,0,0,0|1,0,0]=3 2022 B11R1.49 O=C(O)C1CC(CN1CF)F ef5144dcb77728cbe874600e68f9b374 [0,2,0,0,0,0|1,0,0]=3 2023 B11R1.49 O=C(O)C1CC(CN1CF)O 10b84389add531b8ac4b08b485f3caa2 [0,2,0,0,0,0|0,0,0]=2 2024 B11R1.49 O=C(O)C1CC(CN1CO)F 34fb44c46c144f5805263e4f37b5725d [0,2,0,0,0,0|1,0,0]=3 2025 B11R1.49 O=C(O)C1CC(CN1CO)O fc3e62d02eb0f75a4bbdaab566efc04b [0,2,0,0,0,0|0,0,0]=2 2026 B11R1.49 O=C(O)[C@@H]1C[C@@H](CN1CF)F e94904e9bc69cad3e970592559fb1290 [0,2,0,0,0,0|1,0,0]=3 2027 B11R1.49 O=C(O)[C@@H]1C[C@@H](CN1CF)O 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[0,2,0,0,0,0|0,0,2]=4 2048 B9R1.39 CC1OCC1NCCO 4aa8acd1f5a96c4f47962ac8d8f70c54 [0,0,1,1,0,0|1,0,1]=4 2049 B9R1.39 CCCN[C@H]1CNC1=O d54fb2abe7455950df3e037f3ce21945 [0,0,1,1,0,0|2,0,0]=4 2050 B9R1.39 O=C1CCC1NCCI bbc9d8cfca0a3c47d4f408026b04c9ca [0,0,1,1,0,0|2,0,0]=4 2051 B9R1.39 O=C1CCC1NCCO 6ba8bc28b11ed8fcaf6b4ee2f92451e5 [0,0,1,1,0,0|1,0,0]=3 2052 B9R1.39 O=C1NC[C@@H]1NCCF 3b54114b322400c0f261b4adfa92d387 [0,0,1,1,0,0|2,0,0]=4 2053 B9R1.39 O=C1NC[C@@H]1NCCO a25df6bd47e1df40656516bf4b95022f [0,0,1,1,0,0|1,0,0]=3 2054 B9R1.39 O=C1NC[C@@H]1NCCS 94cfb0d26c3c333004bc9896c8a1b3ed [0,0,1,1,0,0|1,1,0]=4 2055 B9R1.39 OCCNC1CCC1O 171c95f3412ea60ccaf22eed8177bf34 [0,0,1,1,0,0|1,0,1]=4 2056 B9R1.39 OCCN[C@@H]1CC[C@@H]1O 985eb6382f4df76927e9c4eb391fd2d0 [0,0,1,1,0,0|1,0,1]=4 2057 B9R1.39 OCCN[C@@H]1CC[C@H]1O fb0900c43eb98dcc659645e6b8587e0c [0,0,1,1,0,0|1,0,1]=4 2058 B9R1.39 OCCN[C@H]1CC[C@@H]1O 4c137233e7db24d264fe06726e36b1f4 [0,0,1,1,0,0|1,0,1]=4 2059 B9R1.39 OCCN[C@H]1CC[C@H]1O a024b9cf917224da23bfdb9e5cb134f8 [0,0,1,1,0,0|1,0,1]=4 2060 B9R1.110 CC(=O)C(C)N1CCC1 9f219de39e89ec6f8e9e33807d8dd477 [0,0,1,1,0,0|2,0,0]=4 2061 B9R1.110 CC(C(=O)N)N1CCC1 a1dc9b019a6e9acad5c67a5e190ec480 [0,0,1,1,0,0|2,0,0]=4 2062 B9R1.110 CC(C(=O)O)N1CCC1 ec88a5e0123d5408898cf9e078ab2e9b [0,0,1,1,0,0|1,0,0]=3 2063 B9R1.110 C[C@@H](C(=O)N)N1CCC1 dd4f35b4b6ab8335efe58846193101fd [0,0,1,1,0,0|2,0,0]=4 2064 B9R1.110 C[C@@H](C(=O)O)N1CCC1 6d9f8aa04608a34debfa26472baad0e1 [0,0,1,1,0,0|1,0,0]=3 2065 B9R1.110 C[C@H](C(=O)N)N1CCC1 b9d6d0dceb5dec389ff05336a36af3fb [0,0,1,1,0,0|2,0,0]=4 2066 B9R1.110 C[C@H](C(=O)O)N1CCC1 b83116f410ba3b08b132985605530e43 [0,0,1,1,0,0|1,0,0]=3 2067 B9R1.112 CC(=O)C(C)NC1CC1 578daf6a12a73f9663c981f7bceeda1f [0,0,1,1,0,0|2,0,0]=4 2068 B9R1.112 CC(NC1CC1)C(=O)N a9c7d74ade2ebdd224a39302f5d18bf9 [0,0,1,1,0,0|2,0,0]=4 2069 B9R1.112 CC(NC1CC1)C(=O)O 9f16a679f53d1b6a7c598414dcc647c1 [0,0,1,1,0,0|1,0,0]=3 2070 B9R1.112 CC(OC1CC1)C(=O)O c571a164b07a3b0ff7a8556f8699f4a3 [0,0,1,1,0,0|2,0,0]=4 2071 B9R1.112 C[C@@H](NC1CC1)C(=O)N 70939fc330ba98da8c1645b9a6f3fcf3 [0,0,1,1,0,0|2,0,0]=4 2072 B9R1.112 C[C@@H](NC1CC1)C(=O)O 0af862409a6887d25e25f4a186199a51 [0,0,1,1,0,0|1,0,0]=3 2073 B9R1.112 C[C@@H](OC1CC1)C(=O)O 02a1dfde219281849e31ed75d43f36ac [0,0,1,1,0,0|2,0,0]=4 2074 B9R1.112 C[C@H](NC1CC1)C(=O)N 473107cd3bb6f22d12833b7f8fb42b5a [0,0,1,1,0,0|2,0,0]=4 2075 B9R1.112 C[C@H](NC1CC1)C(=O)O 8f50576c81c731defbf87059fbc2bbc5 [0,0,1,1,0,0|1,0,0]=3 2076 B9R1.112 C[C@H](OC1CC1)C(=O)O 3ff101290c7cafe95c2fba539b32018c [0,0,1,1,0,0|2,0,0]=4 2077 B9R1.112 O=C(O)C(F)NC1CC1 ab0cb5dbff8f96a53d4ab238afd2e5b2 [0,0,1,1,0,0|2,0,0]=4 2078 B9R1.112 O=C(O)C(O)NC1CC1 5879b8d2b4559669899973f84acbc223 [0,0,1,1,0,0|2,0,0]=4 2079 B9R1.112 O=C(O)[C@H](F)NC1CC1 2357739b82c4749fceebf72401d17ad2 [0,0,1,1,0,0|2,0,0]=4 2080 B9R1.33 O=C1OCC[C@@H]1NCO fd71f95ebb01bbdbbb2ef25d589937b3 [0,0,1,1,0,0|2,0,0]=4 2081 B9R1.33 O=C1OCC[C@H]1NCO e4d04d631c6f331f98f78546df6deaf9 [0,0,1,1,0,0|2,0,0]=4 2082 B9R1.179 O=C(O)C1(CC1)NCO af15281f3dcfcc5aef6f47c67b1bcbcb [0,0,1,1,0,0|2,0,0]=4 2083 B9R1.53 C=C(Br)CN1CC(C1)O 6bf33a57322f3f8cf6cd09685a4e5fbf [0,0,1,1,0,0|2,0,0]=4 2084 B9R1.53 C=C(C)CN1CC(C1)O e64f734b3502035df21092181ce3de7f [0,0,1,1,0,0|2,0,0]=4 2085 B9R1.53 C=C(Cl)CN1CC(C1)O ed8a24daa3b6e9415153ea13812baee4 [0,0,1,1,0,0|2,0,0]=4 2086 B9R1.53 C=C(F)CN1CC(C1)O f6ae1e78030bc636b7c562c18aed3732 [0,0,1,1,0,0|2,0,0]=4 2087 B9R1.53 CC(O)CN1CC(C1)O a7754e81098d686ea6a301cca38a4e03 [0,0,1,1,0,0|1,0,1]=4 2088 B9R1.53 C[C@@H](O)CN1CC(C1)O 630b241c831155207de28d7ccd934e9a [0,0,1,1,0,0|1,0,1]=4 2089 B9R1.53 C[C@H](O)CN1CC(C1)O be9e7df6c6e2560d034a684168b8613e [0,0,1,1,0,0|1,0,1]=4 2090 B9R1.53 NC(=O)CN1CC(C1)F 6f836876a332541e77d5af137d781077 [0,0,1,1,0,0|2,0,0]=4 2091 B9R1.53 NC(=O)CN1CC(C1)O 9049222e220fbd240264d7a67ff8edda [0,0,1,1,0,0|1,0,0]=3 2092 B9R1.53 O=C(O)CN1CC(C1)F bc7076e56d5dac9076928f37c7df6ae5 [0,0,1,1,0,0|1,0,0]=3 2093 B9R1.53 O=C(O)CN1CC(C1)O cd9cc5381132e3ab65c96da44eace8e8 [0,0,1,1,0,0|0,0,0]=2 2094 B9R1.53 O=[N+]([O-])CN1CC(C1)O a804e95a4a82ce5382172d2a0fd95179 [0,0,1,1,0,0|1,0,1]=4 2095 B9R1.85 CC(=O)CNCC1CC1 0e70ea741601e77cf733a6778389766b [0,0,1,1,0,0|2,0,0]=4 2096 B9R1.85 NC(=O)CNCC1CC1 20ebedd011b375c931ef532bff65156e [0,0,1,1,0,0|2,0,0]=4 2097 B9R1.85 O=C(O)CNCC1CC1 8970904c8ad5ee5911fea5cdeb7d255c [0,0,1,1,0,0|1,0,0]=3 2098 B9R1.85 O=C(O)COCC1CC1 bc7f43afa7576a49960c4f48c84cf235 [0,0,1,1,0,0|2,0,0]=4 2099 B7R1.10 O=CN1CC(C1)F 10673579aa5b90bc9fa1305ce11b0f6e [1,0,0,0,1,0|2,0,0]=4 2100 B7R1.10 O=CN1CC(C1)O c56a5fb25f079a78b4196509b3241e16 [1,0,0,0,1,0|1,0,0]=3 2101 B7R1.10 OCN1CC(C1)O 9ae7c55c7b7297a67fda8e2d11f0601d [1,0,0,0,1,0|1,0,1]=4 2102 B7R1.18 CC(=O)N1CCC1 8143f596a7f046e54d5db8a61549ab26 [1,0,0,0,1,0|2,0,0]=4 2103 B9R0.4 C#CCNC(C)CC(=O)O e88c4b46a26cab7526b69bf619ffd97e [0,0,1,0,0,1|1,0,1]=4 2104 B9R0.4 C#CCN[C@@H](C)CC(=O)O e4cbba3f0406b208247d46092df228cc [0,0,1,0,0,1|1,0,1]=4 2105 B9R0.4 C#CCN[C@H](C)CC(=O)O f96ee44735fe8a0a7543e042b18f148e [0,0,1,0,0,1|1,0,1]=4 2106 B9R0.4 C=CCNC(C)CC(=O)O 6ae10b64077133545f3d91156e398a8c [0,0,1,0,0,1|1,0,1]=4 2107 B9R0.4 C=CCN[C@@H](C)CC(=O)O e24fbde4dfaa347b67a58faa90e875fd [0,0,1,0,0,1|1,0,1]=4 2108 B9R0.4 C=CCN[C@H](C)CC(=O)O 68d1d33710689e20c468e0a1bf3fde2f [0,0,1,0,0,1|1,0,1]=4 2109 B9R0.4 CC(=O)NC(C)CCCO a409476001ef0aff88161eb86bbe5db4 [0,0,1,0,0,1|2,0,0]=4 2110 B9R0.4 CC(=O)N[C@H](C)CCCO 9a046063324b070dedfa3d3739745edc [0,0,1,0,0,1|2,0,0]=4 2111 B9R0.4 CC(=O)OC(C)NCCBr 3f1c204a59be950e15bd4feaa3675001 [0,0,1,0,0,1|2,0,0]=4 2112 B9R0.4 CC(=O)OC(C)NCCF 228736a205797ea15b61fd8e68b87e67 [0,0,1,0,0,1|2,0,0]=4 2113 B9R0.4 CC(=O)OC(C)NCCI c286c8d763aee4f3868d0f17a0d94c3b [0,0,1,0,0,1|2,0,0]=4 2114 B9R0.4 CC(=O)OC(C)NCCO ac5b0ecf8a083e3beb0c0204a7207851 [0,0,1,0,0,1|1,0,0]=3 2115 B9R0.4 CC(=O)OC(C)NCCS 7d5c0fa70919a52ddfecf5135d6ca3d7 [0,0,1,0,0,1|1,1,0]=4 2116 B9R0.4 CC(CC(=O)O)NCC#N b141632e27612f0c1515a54a70fedc87 [0,0,1,0,0,1|1,0,1]=4 2117 B9R0.4 CC(CC(=O)O)NCC=O 0b9db54dda8ed6cd9b17284ce8476910 [0,0,1,0,0,1|0,0,2]=4 2118 B9R0.4 CC(CC(=O)O)NCCBr e7e4b6e2fc1ea75d46b4b42316397fca [0,0,1,0,0,1|1,0,0]=3 2119 B9R0.4 CC(CC(=O)O)NCCF d1685d2be3fcc9d24c11d15d0d1d1325 [0,0,1,0,0,1|1,0,0]=3 2120 B9R0.4 CC(CC(=O)O)NCCI 94de66baab7b311efb40a9409058838e [0,0,1,0,0,1|1,0,0]=3 2121 B9R0.4 CC(CC(=O)O)NCCO 363ffb708fc7cb9d3ee89320c343223e [0,0,1,0,0,1|0,0,0]=2 2122 B9R0.4 CC(CC(=O)O)NCCS cdbc52c158398597a14b9e2a91a129d1 [0,0,1,0,0,1|0,1,0]=3 2123 B9R0.4 CC(CC(=O)O)OCCF 9f416da46c9c293ab23e60b18d16f471 [0,0,1,0,0,1|2,0,0]=4 2124 B9R0.4 CC(CC(=O)O)OCCS 3dd9e26375cdcf4681c093bf5c86e3fc [0,0,1,0,0,1|1,1,0]=4 2125 B9R0.4 CC(O)CC(C)NCCO 18fd7bbc2d56fe18813d36c3680a81ca [0,0,1,0,0,1|1,0,1]=4 2126 B9R0.4 CCCNC(C)CC(=O)O 2d5bf9ae8b9d33e8e5f89637131f543d [0,0,1,0,0,1|1,0,0]=3 2127 B9R0.4 CCCNC(C)OC(=O)C 284b4f4f851898134a79c6bd0e68afcb [0,0,1,0,0,1|2,0,0]=4 2128 B9R0.4 CCCN[C@@H](C)CC(=O)O 7dd12827a70b6d0f3eb1d105dd87e0f1 [0,0,1,0,0,1|1,0,0]=3 2129 B9R0.4 CCCN[C@H](C)CC(=O)O 49558fe427823d5af7fc8494312831dd [0,0,1,0,0,1|1,0,0]=3 2130 B9R0.4 CCCOC(C)CC(=O)O 464f5b57c4d27de1c96f770591eff582 [0,0,1,0,0,1|2,0,0]=4 2131 B9R0.4 CCCO[C@@H](C)CC(=O)O 672c62b3f5b285724de30ca7be3b4175 [0,0,1,0,0,1|2,0,0]=4 2132 B9R0.4 CCCO[C@H](C)CC(=O)O 78d34951f815792f2a0561852a75d7ea [0,0,1,0,0,1|2,0,0]=4 2133 B9R0.4 CN(CCCO)CC(=O)O 92663a30e18fe103a2042493da2adef9 [0,0,1,0,0,1|2,0,0]=4 2134 B9R0.4 COCNC(C)CC(=O)O bdd3c4ac12ec667d560eb5ade66eadf9 [0,0,1,0,0,1|2,0,0]=4 2135 B9R0.4 COCN[C@@H](C)CC(=O)O 4b81306ee6db218e1b372a75a0b0c2f0 [0,0,1,0,0,1|2,0,0]=4 2136 B9R0.4 COCN[C@H](C)CC(=O)O 818aa4572c41952106f807fa5cf3ab38 [0,0,1,0,0,1|2,0,0]=4 2137 B9R0.4 CSCNC(C)CC(=O)O 4241a9c2ff111280db351016191e8370 [0,0,1,0,0,1|2,0,0]=4 2138 B9R0.4 CSCN[C@@H](C)CC(=O)O 726b4fd612fce34bc66b4c1104c65f69 [0,0,1,0,0,1|2,0,0]=4 2139 B9R0.4 CSCN[C@H](C)CC(=O)O 93bb6ece58999a9701d836c8d56af5da [0,0,1,0,0,1|2,0,0]=4 2140 B9R0.4 C[C@@H](CC(=O)O)NCC#N 8535603aa506265d93611dda2c62f654 [0,0,1,0,0,1|1,0,1]=4 2141 B9R0.4 C[C@@H](CC(=O)O)NCC=O 61f815c552e042769d4d4f90edfce438 [0,0,1,0,0,1|0,0,2]=4 2142 B9R0.4 C[C@@H](CC(=O)O)NCCF 618a0c24e5c55843ce8edb4caec723f0 [0,0,1,0,0,1|1,0,0]=3 2143 B9R0.4 C[C@@H](CC(=O)O)NCCO f1302a077d62282b824321ee35a8059e [0,0,1,0,0,1|0,0,0]=2 2144 B9R0.4 C[C@@H](CC(=O)O)NCCS 5d7d40247ddb99f3d68b90786e69ddbb [0,0,1,0,0,1|0,1,0]=3 2145 B9R0.4 C[C@@H](CC(=O)O)OCCF 5c0f2e4119dfa55ab335c16ab0367197 [0,0,1,0,0,1|2,0,0]=4 2146 B9R0.4 C[C@@H](CC(=O)O)OCCS 95108e5655092fc4113468a510808654 [0,0,1,0,0,1|1,1,0]=4 2147 B9R0.4 C[C@H](CC(=O)O)NCC#N 2c1f0cf9b9f687284995abb8dc7844fc [0,0,1,0,0,1|1,0,1]=4 2148 B9R0.4 C[C@H](CC(=O)O)NCC=O 8ad60e5c3f750e74022ec085d11788c1 [0,0,1,0,0,1|0,0,2]=4 2149 B9R0.4 C[C@H](CC(=O)O)NCCF 20751cb9b29a347f4c1a5217e86a8518 [0,0,1,0,0,1|1,0,0]=3 2150 B9R0.4 C[C@H](CC(=O)O)NCCO 5a022e1cde4048f3a447d9f460edd75d [0,0,1,0,0,1|0,0,0]=2 2151 B9R0.4 C[C@H](CC(=O)O)NCCS 0e4f4fa60a5012cf1fca3e5091c18f41 [0,0,1,0,0,1|0,1,0]=3 2152 B9R0.4 C[C@H](CC(=O)O)OCCF f5b48f7a21ef3e4b18c68d6fc0bb22c6 [0,0,1,0,0,1|2,0,0]=4 2153 B9R0.4 C[C@H](CC(=O)O)OCCS a1e94870d79cddf896a1bd4028514c04 [0,0,1,0,0,1|1,1,0]=4 2154 B9R0.14 CCC(CC(=O)O)NCO 854a3f707e850876fb09e8e934a0addc [0,0,1,0,0,1|2,0,0]=4 2155 B9R0.14 CCN(CCO)CC(=O)O a910f1ae38fa7155c7b0579d5026162e [0,0,1,0,0,1|2,0,0]=4 2156 B9R0.14 CC[C@@H](CC(=O)O)NCO 8aae4f0e6ae84c7880313232076671d3 [0,0,1,0,0,1|2,0,0]=4 2157 B9R0.14 CC[C@H](CC(=O)O)NCO fcd4074b59e4e3418d62793abb6ab9e1 [0,0,1,0,0,1|2,0,0]=4 2158 B9R0.55 C/C(=C/CNCC(=O)O)/I a76d6dbc0e5328a9b8aa64ebd1b6c194 [0,0,1,0,0,1|1,0,1]=4 2159 B9R0.55 C/C(=C/CNCC(C)O)/I aabfbf1916613518772128e3b8852adb [0,0,1,0,0,1|2,0,0]=4 2160 B9R0.55 C/C(=C/CNC[C@@H](C)O)/I 0d8944c3788d134c9f9c339a469f1a3d [0,0,1,0,0,1|2,0,0]=4 2161 B9R0.55 C/C(=C/CNC[C@H](C)O)/I 3e9d10cdf16839a76a148616ff8eaca2 [0,0,1,0,0,1|2,0,0]=4 2162 B9R0.55 C/C(=C\CNCC(=O)O)/Cl 33489f0d342c5536f81ea090a2f820e8 [0,0,1,0,0,1|1,0,1]=4 2163 B9R0.55 C/C(=C\CNCC(C)O)/Cl 9b9db1b848a03c7b9d908461ce39f765 [0,0,1,0,0,1|2,0,0]=4 2164 B9R0.55 C/C(=C\CNC[C@@H](C)O)/Cl df6f33b2930abeb549916dc297c88b72 [0,0,1,0,0,1|2,0,0]=4 2165 B9R0.55 C/C(=C\CNC[C@H](C)O)/Cl 3ff725fde25a51b7016ff23f3fd544b5 [0,0,1,0,0,1|2,0,0]=4 2166 B9R0.55 C=C(Br)CNCCC(C)O 91af8dd0401975879c8998d15c157469 [0,0,1,0,0,1|2,0,0]=4 2167 B9R0.55 C=C(Br)CNCC[C@@H](C)O b9cc5d3b8036f95bd12f09f0dde3d090 [0,0,1,0,0,1|2,0,0]=4 2168 B9R0.55 C=C(Br)CNCC[C@H](C)O c096af31239e0585a936c962dc960988 [0,0,1,0,0,1|2,0,0]=4 2169 B9R0.55 C=C(C)CCNCC(=O)O 14f79230f366d4f53483d592ca1209f4 [0,0,1,0,0,1|1,0,1]=4 2170 B9R0.55 C=C(C)CCNCC(C)O 5ad2e9e1a5c9ea7b0b89317480f5a251 [0,0,1,0,0,1|2,0,0]=4 2171 B9R0.55 C=C(C)CCNC[C@@H](C)O 9d8c1d53de838d5a486c2b6cc129a0b1 [0,0,1,0,0,1|2,0,0]=4 2172 B9R0.55 C=C(C)CCNC[C@H](C)O b836500d37ce2e2e056f45188ca62270 [0,0,1,0,0,1|2,0,0]=4 2173 B9R0.55 C=C(C)CNCCC(=O)O c94702ac8441eb8e035c8c88a218653b [0,0,1,0,0,1|1,0,1]=4 2174 B9R0.55 C=C(C)CNCCC(C)O 1e26bb030bd5403aaa661d90f5bd3321 [0,0,1,0,0,1|2,0,0]=4 2175 B9R0.55 C=C(C)CNCC[C@@H](C)O 5247a41986a2db39b43651346a2a353c [0,0,1,0,0,1|2,0,0]=4 2176 B9R0.55 C=C(C)CNCC[C@H](C)O ee20120b0714c7bf76bcbec6645c4af1 [0,0,1,0,0,1|2,0,0]=4 2177 B9R0.55 C=C(Cl)CNCCC(C)O 2fd3b4da6316772d93c37fee38aed8a7 [0,0,1,0,0,1|2,0,0]=4 2178 B9R0.55 C=C(Cl)CNCC[C@@H](C)O 9a6bacacd1e585ba985b02d1dc7c1fac [0,0,1,0,0,1|2,0,0]=4 2179 B9R0.55 C=C(Cl)CNCC[C@H](C)O 8f9b231c23502c54bd1e89c8b729a830 [0,0,1,0,0,1|2,0,0]=4 2180 B9R0.55 C=C(F)CNCCC(C)O 824274172e871934ac6b7de0e3d2e5c4 [0,0,1,0,0,1|2,0,0]=4 2181 B9R0.55 C=C(F)CNCC[C@@H](C)O 6ecd47a92a61ca929abea0eb44132f9b [0,0,1,0,0,1|2,0,0]=4 2182 B9R0.55 C=C(F)CNCC[C@H](C)O e22fa5240841a0a02198c3c6bd3bf58f [0,0,1,0,0,1|2,0,0]=4 2183 B9R0.55 CC(=CCNCC(=O)O)C eb2d4cd02024c6dd2f4bde47f5d99d0f [0,0,1,0,0,1|1,0,1]=4 2184 B9R0.55 CC(=CCNCC(=O)O)Cl 6d8afa17fed8b33a695b60b47587d586 [0,0,1,0,0,1|1,0,1]=4 2185 B9R0.55 CC(=CCNCC(=O)O)I e657b86155224eb6f1335bfe7dfa415c [0,0,1,0,0,1|1,0,1]=4 2186 B9R0.55 CC(=CCNCC(C)O)C 3490846062747142b22a3d88218be1f6 [0,0,1,0,0,1|2,0,0]=4 2187 B9R0.55 CC(=CCNCC(C)O)Cl 5d0996acbe70105f7ff7a97328d62141 [0,0,1,0,0,1|2,0,0]=4 2188 B9R0.55 CC(=CCNCC(C)O)I 0b50e961e9a766ce01e6f1d33b8ad614 [0,0,1,0,0,1|2,0,0]=4 2189 B9R0.55 CC(=CCNC[C@@H](C)O)C 35e541678bca3be7703bc390a2011bf4 [0,0,1,0,0,1|2,0,0]=4 2190 B9R0.55 CC(=CCNC[C@@H](C)O)Cl d6c3574b9cc68918c47588882c220436 [0,0,1,0,0,1|2,0,0]=4 2191 B9R0.55 CC(=CCNC[C@@H](C)O)I c3df114cf35c67c2b715b88dec4d278e [0,0,1,0,0,1|2,0,0]=4 2192 B9R0.55 CC(=CCNC[C@H](C)O)C 31d119b2fc9bab8faa139975b601fe3b [0,0,1,0,0,1|2,0,0]=4 2193 B9R0.55 CC(=CCNC[C@H](C)O)Cl 551bf17bbaaa17d59109a3f0686b4f25 [0,0,1,0,0,1|2,0,0]=4 2194 B9R0.55 CC(=CCNC[C@H](C)O)I c3005d100c1c7bb1127d826b7cd42abe [0,0,1,0,0,1|2,0,0]=4 2195 B9R0.55 CC(=O)CCNCC(=O)O 40694212f6627e29d6641d6f27eb6cbd [0,0,1,0,0,1|0,0,2]=4 2196 B9R0.55 CC(=O)CCNCC(C)C 4c46adea65c7a7a18afa0eb496cf810e [0,0,1,0,0,1|2,0,0]=4 2197 B9R0.55 CC(=O)CCNCC(C)O 1e4535b6e0ff075e7741b213424a4a2f [0,0,1,0,0,1|1,0,0]=3 2198 B9R0.55 CC(=O)CCNC[C@@H](C)O d673557cdbf1f592c8dda2f56361c517 [0,0,1,0,0,1|1,0,0]=3 2199 B9R0.55 CC(=O)CCNC[C@H](C)O 45bdb4c19b607b23643637f75b4e9707 [0,0,1,0,0,1|1,0,0]=3 2200 B9R0.55 CC(=O)CNCCC(=O)O f7e1177d8b3728ece360d0f60d2f3d30 [0,0,1,0,0,1|0,0,2]=4 2201 B9R0.55 CC(=O)CNCCC(C)C a808dcd2847c2da2ce54f5f0db358bfb [0,0,1,0,0,1|2,0,0]=4 2202 B9R0.55 CC(=O)CNCCC(C)O bb1baaff82472d97dc1cb89a36c3c257 [0,0,1,0,0,1|1,0,0]=3 2203 B9R0.55 CC(=O)CNCOC(C)C a945bade2363953109b966473de13912 [0,0,1,0,0,1|2,0,0]=4 2204 B9R0.55 CC(=O)OCNCC(=O)O 931361d70c9f9259da3c0cb1999fabc7 [0,0,1,0,0,1|0,0,2]=4 2205 B9R0.55 CC(=O)OCNCC(C)C 73c52b46c778e94f160efebe7100b3ee [0,0,1,0,0,1|2,0,0]=4 2206 B9R0.55 CC(=O)OCNCC(C)O 9db9e7d06b2a8cad87a499ac08f0e412 [0,0,1,0,0,1|1,0,0]=3 2207 B9R0.55 CC(=O)OCNC[C@@H](C)O cf466a4403498827be8d51621b10fac5 [0,0,1,0,0,1|1,0,0]=3 2208 B9R0.55 CC(=O)OCNC[C@H](C)O 8d21f065d54dba23af256e127e2724b7 [0,0,1,0,0,1|1,0,0]=3 2209 B9R0.55 CC(C)CCNCC(=O)N a0656cb8464b6fd8b1ff4bd15f50cbc4 [0,0,1,0,0,1|2,0,0]=4 2210 B9R0.55 CC(C)CCNCC(=O)O bae9df2f573f745ee71bdebc170a935b [0,0,1,0,0,1|1,0,0]=3 2211 B9R0.55 CC(C)CCOCC(=O)O e88766c3f11bcdb2fdb3cb88ad21cf09 [0,0,1,0,0,1|2,0,0]=4 2212 B9R0.55 CC(C)CNCCC(=O)N f954dfdd0d8f70498d61cb3d06960ab2 [0,0,1,0,0,1|2,0,0]=4 2213 B9R0.55 CC(C)CNCCC(=O)O c1d65499ae131aec028ce1008fad9272 [0,0,1,0,0,1|1,0,0]=3 2214 B9R0.55 CC(C)CNCCS(=O)O dfa1fe188cc20667a2b65b212e676b93 [0,0,1,0,0,1|2,0,0]=4 2215 B9R0.55 CC(C)CNCSC(=O)N 8a612380e6ef7c8f5185d2a22bd798fd [0,0,1,0,0,1|2,0,0]=4 2216 B9R0.55 CC(C)COCCC(=O)O 1a7492ddc84059d0e80957dca0a4ad8a [0,0,1,0,0,1|2,0,0]=4 2217 B9R0.55 CC(C)NCCCC(=O)O 01eb41f71d44f45aa45fe88cad39755b [0,0,1,0,0,1|2,0,0]=4 2218 B9R0.55 CC(C)OCNCC(=O)N 4623dc9ea900605748497d3d838b652d [0,0,1,0,0,1|2,0,0]=4 2219 B9R0.55 CC(C)OCNCC(=O)O 116e31958898eaa4d243bb8a4f561aab [0,0,1,0,0,1|1,0,0]=3 2220 B9R0.55 CC(C)OCOCC(=O)O 185be0dff94a3b667aca878d046b91c5 [0,0,1,0,0,1|2,0,0]=4 2221 B9R0.55 CC(F)COCCC(=O)O 576299124ecf48074968b3f5485a6420 [0,0,1,0,0,1|2,0,0]=4 2222 B9R0.55 CC(O)CCNCC(=O)N d60e66bceb90389360a4002efcacb8fa [0,0,1,0,0,1|1,0,0]=3 2223 B9R0.55 CC(O)CCNCC(=O)O f5b9d99827273ca6405b63a402359712 [0,0,1,0,0,1|0,0,0]=2 2224 B9R0.55 CC(O)CCNCC(C)O a6458a7a56d7bcd3d010a23c8fe256f3 [0,0,1,0,0,1|1,0,1]=4 2225 B9R0.55 CC(O)CCNC[C@@H](C)O 9125021e043750131eea7dd1e503531b [0,0,1,0,0,1|1,0,1]=4 2226 B9R0.55 CC(O)CCNC[C@H](C)O f23d02f84116b8da4626f25bb5aea274 [0,0,1,0,0,1|1,0,1]=4 2227 B9R0.55 CC(O)CCNC[N+](=O)[O-] 8440596623c0ac8fac56934b32e2436c [0,0,1,0,0,1|1,0,1]=4 2228 B9R0.55 CC(O)CNCC=C(Cl)Cl ffe0d87655cfefdc89cfb6841a2b723e [0,0,1,0,0,1|2,0,0]=4 2229 B9R0.55 CC(O)CNCCC(=O)N 9e22e19f884b1ca5fa9ba22b71f71819 [0,0,1,0,0,1|1,0,0]=3 2230 B9R0.55 CC(O)CNCCC(=O)O 5882e34934c12d2feca68ee09fe20110 [0,0,1,0,0,1|0,0,0]=2 2231 B9R0.55 CC(O)CNCCC(=S)N fa04c33ed2691325843d184d9de9fab7 [0,0,1,0,0,1|1,1,0]=4 2232 B9R0.55 CC(O)CNCCS(=O)C dae9c38fef793a5143f679ffa92b48ea [0,0,1,0,0,1|2,0,0]=4 2233 B9R0.55 CC(O)CNCCS(=O)O 508e710c16cab6c037e8a01eec63d97e [0,0,1,0,0,1|1,0,0]=3 2234 B9R0.55 CC(O)CNCC[C@@H](C)O 297ecc9ac74b85be5b4f2e9e6f73e68a [0,0,1,0,0,1|1,0,1]=4 2235 B9R0.55 CC(O)CNCC[C@H](C)O 708e8d885cce762243f909757305cfd4 [0,0,1,0,0,1|1,0,1]=4 2236 B9R0.55 CC(O)CNCSC(=O)N 310a3668f516f4ce99a8597d9c3837e5 [0,0,1,0,0,1|1,0,0]=3 2237 B9R0.55 CC(S)COCCC(=O)O b635c1384c7caeef54ad902ade79227f [0,0,1,0,0,1|1,1,0]=4 2238 B9R0.55 CN(C)CCNCC(=O)O 634f8ba28991fe4a91743dfcd1ec664b [0,0,1,0,0,1|2,0,0]=4 2239 B9R0.55 CN(C)CNCCC(=O)O f2f92c2697e6f0a8922b2579c214314b [0,0,1,0,0,1|2,0,0]=4 2240 B9R0.55 CS(=O)CCNCC(=O)O d14fa2db8bf0bb5b19c1028796e497cd [0,0,1,0,0,1|1,0,1]=4 2241 B9R0.55 C[C@@H](F)COCCC(=O)O 34c340ab2328f74479e9fcc514019d74 [0,0,1,0,0,1|2,0,0]=4 2242 B9R0.55 C[C@@H](O)CCNCC(=O)N e3e96ff2d37d9d270a814377a2485d08 [0,0,1,0,0,1|1,0,0]=3 2243 B9R0.55 C[C@@H](O)CCNCC(=O)O 6cb5155f5967c169f19da87fcc6fe141 [0,0,1,0,0,1|0,0,0]=2 2244 B9R0.55 C[C@@H](O)CCNC[C@@H](C)O 05433372829d767936120dc866c6fd9a [0,0,1,0,0,1|1,0,1]=4 2245 B9R0.55 C[C@@H](O)CCNC[N+](=O)[O-] 8fa1c6b9ab26252eb8e40f8a82238367 [0,0,1,0,0,1|1,0,1]=4 2246 B9R0.55 C[C@@H](O)CNCC=C(Cl)Cl 4957338a675a7ea5f47a1c96e3e91780 [0,0,1,0,0,1|2,0,0]=4 2247 B9R0.55 C[C@@H](O)CNCCC(=O)N 1baae5cd66b2e5daebca417d839cf2e7 [0,0,1,0,0,1|1,0,0]=3 2248 B9R0.55 C[C@@H](O)CNCCC(=O)O 89bce0b12fdfcc97280f28e831e10e33 [0,0,1,0,0,1|0,0,0]=2 2249 B9R0.55 C[C@@H](O)CNCCC(=S)N 304a0a8c77b645382287adee271faa95 [0,0,1,0,0,1|1,1,0]=4 2250 B9R0.55 C[C@@H](O)CNCCS(=O)C 463bb33a2bfd90c69de25ec1568941b9 [0,0,1,0,0,1|2,0,0]=4 2251 B9R0.55 C[C@@H](O)CNCCS(=O)O f44d4d0563eb1080e8281f6caa53356f [0,0,1,0,0,1|1,0,0]=3 2252 B9R0.55 C[C@@H](O)CNCSC(=O)N 6cf88afb0cb57579a3bff87c828816e4 [0,0,1,0,0,1|1,0,0]=3 2253 B9R0.55 C[C@H](F)COCCC(=O)O c8248d4a649741bb9f67d6321d2c0f56 [0,0,1,0,0,1|2,0,0]=4 2254 B9R0.55 C[C@H](O)CCNCC(=O)N 36179dc6c044d28e22b9c0cf92811207 [0,0,1,0,0,1|1,0,0]=3 2255 B9R0.55 C[C@H](O)CCNCC(=O)O ee12b5275e40fded6221f388dcb65b90 [0,0,1,0,0,1|0,0,0]=2 2256 B9R0.55 C[C@H](O)CCNC[C@@H](C)O 2cd9cd5f675e3fd89e15c40caf6ecab5 [0,0,1,0,0,1|1,0,1]=4 2257 B9R0.55 C[C@H](O)CCNC[C@H](C)O ec14d3ded038ad4d41caddc7bd42b1ab [0,0,1,0,0,1|1,0,1]=4 2258 B9R0.55 C[C@H](O)CCNC[N+](=O)[O-] 5f18c7f4a40d0340d54a9512b6078d05 [0,0,1,0,0,1|1,0,1]=4 2259 B9R0.55 C[C@H](O)CNCC=C(Cl)Cl 106d4edfeb08479ed8b81a0590b4dd29 [0,0,1,0,0,1|2,0,0]=4 2260 B9R0.55 C[C@H](O)CNCCC(=O)N 424f4efc3eaaa1977a5002054a49e49e [0,0,1,0,0,1|1,0,0]=3 2261 B9R0.55 C[C@H](O)CNCCC(=O)O 1700bfa1d15f33a96885ae735b30c8fc [0,0,1,0,0,1|0,0,0]=2 2262 B9R0.55 C[C@H](O)CNCCC(=S)N ad63f9b27f35b237efa952c141a3ef86 [0,0,1,0,0,1|1,1,0]=4 2263 B9R0.55 C[C@H](O)CNCCS(=O)C bc66dc855190da97945877bf50b60c55 [0,0,1,0,0,1|2,0,0]=4 2264 B9R0.55 C[C@H](O)CNCCS(=O)O bd36c73b17d8b3f3b24b05470356739e [0,0,1,0,0,1|1,0,0]=3 2265 B9R0.55 C[C@H](O)CNCC[C@@H](C)O a83b9cef4b98b39c5db36346fb8a2f84 [0,0,1,0,0,1|1,0,1]=4 2266 B9R0.55 C[C@H](O)CNCSC(=O)N 27e6fad2a36fb5771169da36a955da01 [0,0,1,0,0,1|1,0,0]=3 2267 B9R0.55 O=C(O)CCNCC(=O)O 43f65cc1fd2997c2e3d09ce76b5140c2 [0,0,1,0,0,1|1,0,1]=4 2268 B9R0.55 O=C(O)CCNCC(F)F 83bfb620b6c72f7ea03c8ba8a106a893 [0,0,1,0,0,1|2,0,0]=4 2269 B9R0.55 O=C(O)CNCCC(F)F 36a1eacdaf75399080e933c29ff5f4e8 [0,0,1,0,0,1|2,0,0]=4 2270 B9R0.55 O=C(O)CNCCS(=O)O 888280bc8115e1a96669c6f2b9e6d21f [0,0,1,0,0,1|2,0,0]=4 2271 B9R1.2 O=CN1CCCC(C1)O 0df930667a84d8d3d91a613bfd57f133 [1,0,0,0,0,1|2,0,0]=4 2272 B9R1.2 O=CN1CCC[C@@H](C1)O 50e0b44fd1f0b47772960747a9d4dc2e [1,0,0,0,0,1|2,0,0]=4 2273 B9R1.2 O=CN1CCC[C@H](C1)O 1099b25f2d4ea20dc0b6d23f3ff3e4f6 [1,0,0,0,0,1|2,0,0]=4 2274 B9R1.13 CC(=O)NC1CCCC1 a2d6bc9cfdeb39e26a278a42ee1d6324 [1,0,0,0,0,1|2,0,0]=4 2275 B11R1.20 CC(=O)NC1CCC(CC1)O 32ccc720dacb2d1a60bef0ac05af6e03 [0,0,0,0,0,2|2,0,0]=4 2276 B11R1.20 CC(=O)N[C@H]1CC[C@@H](CC1)O de0f4c835ebb4ab00269ab1d23370b55 [0,0,0,0,0,2|2,0,0]=4 2277 B11R1.20 CC(=O)N[C@H]1CC[C@H](CC1)O c1dc106a33ee46042df9bb05d205ab58 [0,0,0,0,0,2|2,0,0]=4 2278 B11R1.20 O=C(O)CN1CCC(CC1)O 42e521bd1703ae610f177660fc9f9a05 [0,0,0,0,0,2|2,0,0]=4 2279 B11R1.75 CC(=O)NCC1CCC(C1)O a017fd720f27c83b6928197b660f1770 [0,0,0,0,0,2|2,0,0]=4 2280 B11R1.75 CC1CCC(C1)NCC(=O)O b91263eb0e68378329124588f3440e20 [0,0,0,0,0,2|2,0,0]=4 2281 B11R1.75 CC1CCC(C1)OCC(=O)O 34706f1cb706bb382746d51da5b8e32b [0,0,0,0,0,2|2,0,0]=4 2282 B11R1.75 NC(=O)CNC1CCC(C1)O 1a3c90f15215db8d1486c6c24e919a78 [0,0,0,0,0,2|2,0,0]=4 2283 B11R1.75 NC(=O)CN[C@@H]1CC[C@@H](C1)O 074ee17a9a4a8b13416311c24ce24a03 [0,0,0,0,0,2|2,0,0]=4 2284 B11R1.75 NC(=O)CN[C@@H]1CC[C@H](C1)O 4dbad745ae7cb96fab1aea5e4e37790e [0,0,0,0,0,2|2,0,0]=4 2285 B11R1.75 NC(=O)CN[C@H]1CC[C@@H](C1)O e61011d1d2c2630b1591be23f9c6e223 [0,0,0,0,0,2|2,0,0]=4 2286 B11R1.75 NC(=O)CN[C@H]1CC[C@H](C1)O 7a97f6b06594ceeee1e6579eae40eb98 [0,0,0,0,0,2|2,0,0]=4 2287 B11R1.75 O=C(O)CCN1CCC(C1)O a9c7d6f576bf60e2ed5bf0b415e0747d [0,0,0,0,0,2|2,0,0]=4 2288 B11R1.75 O=C(O)CCN1CC[C@@H](C1)O 6b4ee12311ccbbb6d07a42ca8048d5f3 [0,0,0,0,0,2|2,0,0]=4 2289 B11R1.75 O=C(O)CCN1CC[C@H](C1)O 54ef94be7fd5a9f3653d10513bf1209f [0,0,0,0,0,2|2,0,0]=4 2290 B11R1.75 O=C(O)CNC1CCC(C1)O 8cbc05d4df0f5d612a13d13b4ef8752c [0,0,0,0,0,2|1,0,0]=3 2291 B11R1.75 O=C(O)CN[C@@H]1C=C[C@@H](C1)O e20cb3759af80188554e4fd4e0b0f947 [0,0,0,0,0,2|1,0,1]=4 2292 B11R1.75 O=C(O)CN[C@@H]1CC[C@@H](C1)O e724e00214b84355dcd45c54a7f6c73f [0,0,0,0,0,2|1,0,0]=3 2293 B11R1.75 O=C(O)CN[C@@H]1CC[C@H](C1)O 1e1dac2ef417205d0414a50579662edf [0,0,0,0,0,2|1,0,0]=3 2294 B11R1.75 O=C(O)CN[C@H]1C=C[C@H](C1)O 07689fb4f6d40b811ddac9f83e152f46 [0,0,0,0,0,2|1,0,1]=4 2295 B11R1.75 O=C(O)CN[C@H]1CC[C@@H](C1)O 781dc2a2e1f4d580ab611302f1b51fda [0,0,0,0,0,2|1,0,0]=3 2296 B11R1.75 O=C(O)CN[C@H]1CC[C@H](C1)O f7ad75a5435c628b4f34e818231dd782 [0,0,0,0,0,2|1,0,0]=3 2297 B11R1.75 O=C(O)COC1CCC(C1)F bcfcf769b205f9612da80a130e4ecbb7 [0,0,0,0,0,2|2,0,0]=4 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50428b9f90feb50aec1d3ab69a75f460 [0,0,0,0,0,2|2,0,0]=4