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C=C(C)CCNC(=O)[C@@H](C)O 07d651729273278e65443f45182e9d6e [0,0,1,0,0,0|2,0,0]=3 23 B10R0.98 C=C(C)CCNC(=O)[C@H](C)F 2e5680a6ce36eb19bbd2e0788a94885f [0,0,1,0,0,0|3,0,0]=4 24 B10R0.98 C=C(C)CCNC(=O)[C@H](C)O aa04910f32477a0eae540e48ad512828 [0,0,1,0,0,0|2,0,0]=3 25 B10R0.98 C=C(C)CCNC(C)C(C)C 5dbaaeda7cd07bd6c9dfcadd718a32ac [0,0,1,0,0,0|2,0,1]=4 26 B10R0.98 C=C(C)CCNC(C)C(C)O bfbb3970ab01405f94ae6d9084c8c6c0 [0,0,1,0,0,0|1,0,1]=3 27 B10R0.98 C=C(C)CCN[C@@H](C)C(C)C ee4b7e0e6211434def95ab30c2e6c1d0 [0,0,1,0,0,0|2,0,1]=4 28 B10R0.98 C=C(C)CCN[C@H](C)C(C)C 709b8a65b74d9d11c59d2f36a1951991 [0,0,1,0,0,0|2,0,1]=4 29 B10R0.98 C=C(C)CCOC(C)C(C)C 6c1dc03bf67782023e36c20a1732686a [0,0,1,0,0,0|2,0,1]=4 30 B10R0.98 C=C(C)CCOC(C)C(C)S cc1273a8e328dfc91904987e9acf1f53 [0,0,1,0,0,0|1,1,1]=4 31 B10R0.98 C=C(C)CCO[C@@H](C)C(C)C 1ba53cb73a5619bd170e414bbc60cb3f [0,0,1,0,0,0|2,0,1]=4 32 B10R0.98 C=C(C)CCO[C@H](C)C(C)C 20cba10ce217e605b2a2895e14ccfa3c [0,0,1,0,0,0|2,0,1]=4 33 B10R0.98 CC(=O)CCNC(C)C(C)O 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3e59254196aed313540af75c07c39315 [1,0,1,0,0,0|1,0,1]=4 45 B9R0.1 C=C(C)CCNC(C)CO ac966c28a89582f8060cba5a7301f2b8 [1,0,1,0,0,0|1,0,1]=4 46 B9R0.1 C=C(C)CCN[C@@H](C)CC dd5db3d0315db4cd17c73027333e9aec [1,0,1,0,0,0|1,0,1]=4 47 B9R0.1 C=C(C)CCN[C@@H](C)CO 273de8c1bb753e4c3d8457c3193e87fe [1,0,1,0,0,0|1,0,1]=4 48 B9R0.1 C=C(C)CCN[C@H](C)CC 17f8689567b0cd30665489930711fefc [1,0,1,0,0,0|1,0,1]=4 49 B9R0.1 C=C(C)CCN[C@H](C)CO d884b29f564b107dd51d2cadd9b6f1ec [1,0,1,0,0,0|1,0,1]=4 50 B9R0.1 C=C(C)CCOC(C)CC c1ab39b33b060b66872a7a99cb42b49c [1,0,1,0,0,0|1,0,1]=4 51 B9R0.1 C=C(C)CCO[C@@H](C)CC 1a113e19745c74a32b97d0777a65f856 [1,0,1,0,0,0|1,0,1]=4 52 B9R0.1 C=C(C)CCO[C@H](C)CC 10f668905abfc9df65d3d95b2b060ce8 [1,0,1,0,0,0|1,0,1]=4 53 B9R0.1 C=C(C)COC/C(=C/I)/C b2c0c103ec5773363733879ceb7a32f6 [1,0,1,0,0,0|2,0,0]=4 54 B9R0.1 C=C(C)COCC(=CI)C c4054776b87df8dec4a77e1ad8de05dc [1,0,1,0,0,0|2,0,0]=4 55 B9R0.7 C=C(C)CNC(C)C(=O)C ba902c8c453edf6ed16b9e43d5cc3444 [1,0,1,0,0,0|2,0,0]=4 56 B9R0.7 C=C(C)COC(C)C(=O)C a9624bc15e55dae782589a6cc8163e2f [1,0,1,0,0,0|2,0,0]=4 57 B9R0.48 C=C(C)COC(C)/C=C/C 3097381218d0595acd215d64c960e310 [1,0,1,0,0,0|2,0,0]=4 58 B9R0.48 C=C(C)COC(C)C=CC d624c9f0588127a44b7132c852faecce [1,0,1,0,0,0|2,0,0]=4 59 B9R0.47 C=CCCNC(=O)C(C)O 1ca0edbbe3b47d91547b8ef76b8f4ee9 [1,0,1,0,0,0|2,0,0]=4 60 B9R0.47 C=CCCNC(=O)[C@@H](C)O 0c321027fadd510faa3631cb2beb879a [1,0,1,0,0,0|2,0,0]=4 61 B9R0.47 C=CCCNC(=O)[C@H](C)O 07d9880cc32225414789eef6e92fa9d7 [1,0,1,0,0,0|2,0,0]=4 62 B9R0.47 C=CCCNC(C)C(C)O 2d673805b2d3f40269605e567195322e [1,0,1,0,0,0|1,0,1]=4 63 B9R0.15 C=CCN(CCO)C(=O)C 241d5d7ad3ab8eeb45ac315511efb58a [1,0,1,0,0,0|2,0,0]=4 64 B9R0.40 C/C=C/CN(CC)CCO 6c385e91227c0ce7e5eb2062319010c7 [1,0,1,0,0,0|1,0,1]=4 65 B9R0.40 C/C=C\CN(CC)CCO 078564a645d168eed6831cfbd7c0750c [1,0,1,0,0,0|1,0,1]=4 66 B9R0.55 C=C(C)CCNCC(C)O 5ad2e9e1a5c9ea7b0b89317480f5a251 [1,0,1,0,0,0|1,0,1]=4 67 B9R0.55 C=C(C)CCNC[C@@H](C)O 9d8c1d53de838d5a486c2b6cc129a0b1 [1,0,1,0,0,0|1,0,1]=4 68 B9R0.55 C=C(C)CCNC[C@H](C)O b836500d37ce2e2e056f45188ca62270 [1,0,1,0,0,0|1,0,1]=4 69 B9R1.6 CC(=O)N1CC=CCC1 941519b4d56d0edbf71c96ca78449316 [2,0,0,0,0,0|2,0,0]=4 70 B9R1.2 CCN1CC=CC(C1)O c6d03f688e44a836212478eabc593db6 [2,0,0,0,0,0|1,0,1]=4 71 B9R1.2 O=CN1CC=CC(C1)O 91fd9b5ff26cd5cd1f94a96451a20246 [2,0,0,0,0,0|2,0,0]=4 72 B11R0.78 C/C=C/CNC(CCO)C(=O)O c11f4559bc1730d89e75444052bdf862 [0,1,1,0,0,0|2,0,0]=4 73 B11R0.78 C/C=C/CNC(CCO)C(C)C fa01a77bcab848509d0db8fe47f0a97f [0,1,1,0,0,0|0,0,2]=4 74 B11R0.78 C/C=C/CN[C@@H](CCO)C(=O)O 31f7649c3a28cb6e533836d3b787b371 [0,1,1,0,0,0|2,0,0]=4 75 B11R0.78 C/C=C/CN[C@H](CCO)C(=O)O ec15cfdd6b2c1973dd45e9c880d88baa [0,1,1,0,0,0|2,0,0]=4 76 B11R0.78 C/C=C/COC(CCC)C(=O)C 0324a644b1dd075e9cf52eb768e8eef1 [0,1,1,0,0,0|2,0,0]=4 77 B11R0.78 C/C=C\CNC(CCO)C(=O)O 03f38e7468cdcf7e8cfef77014981f34 [0,1,1,0,0,0|2,0,0]=4 78 B11R0.78 C/C=C\CNC(CCO)C(C)C e209097a06e421ee97f8a8bc56044c4d [0,1,1,0,0,0|0,0,2]=4 79 B11R0.78 C/C=C\CN[C@@H](CCO)C(=O)O a9690e7bdf4455790e35840df4294981 [0,1,1,0,0,0|2,0,0]=4 80 B11R0.78 C/C=C\CN[C@H](CCO)C(=O)O b4df2da6c39424a742f4d1853084f554 [0,1,1,0,0,0|2,0,0]=4 81 B11R0.78 C/C=C\COC(CCC)C(=O)C d79b975f29093b92e265eaccb584d502 [0,1,1,0,0,0|2,0,0]=4 82 B11R0.78 CC=CCNC(CCC)C(=O)C b295ce6481b02dc78c9d322755214083 [0,1,1,0,0,0|2,0,0]=4 83 B11R0.78 CC=CCNC(CCO)C(=O)C 495e8f35c3bfab67c304ff6a0d29581c [0,1,1,0,0,0|1,0,0]=3 84 B11R0.78 CC=CCOC(CCC)C(=O)C b7da7bd82c45b5ddacc51cee6ff5c18d [0,1,1,0,0,0|2,0,0]=4 85 B11R0.84 C=C(C)CCNC(C)C(C)(C)O cc1005789e9e48c901906c4147ae9b2c [0,1,1,0,0,0|1,0,1]=4 86 B11R0.84 C=C(C)CCN[C@@H](C)C(C)(C)O 999d7a3745faa8b0fdba176ce45a7a19 [0,1,1,0,0,0|1,0,1]=4 87 B11R0.84 C=C(C)CCN[C@H](C)C(C)(C)O 164410e7146cf87f45bf5039b084f137 [0,1,1,0,0,0|1,0,1]=4 88 B11R0.84 C=C(C)CCOC(C)C(C)(C)O 70d8c99cecccd75c629d09914e2ff56d [0,1,1,0,0,0|1,0,1]=4 89 B11R0.145 C=C(C)CCCN(C)C(C)CO d13776f21731aa0a813809b04f6523f2 [0,1,1,0,0,0|1,0,1]=4 90 B11R0.145 C=C(C)CCCN(C)[C@@H](C)CO 225e0507c4407b9e2d41f5d5e155c459 [0,1,1,0,0,0|1,0,1]=4 91 B11R0.145 C=C(C)CCCN(C)[C@H](C)CO 427b374d318f79e12ad6a76af168c0ee [0,1,1,0,0,0|1,0,1]=4 92 B11R0.145 C=C(C)CCNC(=O)C(C)OC 1b7b614527024d9572e883e0f1da0be9 [0,1,1,0,0,0|2,0,0]=4 93 B11R0.145 C=C(C)CCNC(=O)C(O)CC c146b242abfa21ccf0b91906ca6d7472 [0,1,1,0,0,0|2,0,0]=4 94 B11R0.145 C=C(C)CCNC(=O)C(O)CO 0e0bddf8b671b6d076d3d57cc4c27f82 [0,1,1,0,0,0|2,0,0]=4 95 B11R0.145 C=C(C)CCNC(=O)[C@@H](C)OC a84173bb30d31392c2eb5c6100b1a953 [0,1,1,0,0,0|2,0,0]=4 96 B11R0.145 C=C(C)CCNC(=O)[C@@H](O)CC 589c1bcf2f5ec8876f808d16c4428009 [0,1,1,0,0,0|2,0,0]=4 97 B11R0.145 C=C(C)CCNC(=O)[C@@H](O)CO 0c5ceb37059217ca2e59c484636d7928 [0,1,1,0,0,0|2,0,0]=4 98 B11R0.145 C=C(C)CCNC(=O)[C@H](C)OC b6134de8cfe17479939133b682ea63ef [0,1,1,0,0,0|2,0,0]=4 99 B11R0.145 C=C(C)CCNC(=O)[C@H](O)CC d5c31225e3e85afaa6cdf651cd5cbbb0 [0,1,1,0,0,0|2,0,0]=4 100 B11R0.145 C=C(C)CCNC(=O)[C@H](O)CF bd9d1e839065eaf401e5883d2dca1ac7 [0,1,1,0,0,0|2,0,0]=4 101 B11R0.145 C=C(C)CCOC(C)C(C)OC 4b50848bbed3d3f335e9727f4aa8a974 [0,1,1,0,0,0|1,0,1]=4 102 B11R0.202 C=C(C)CCNC(C)(C)C(C)O fe511a82b4b4bb2b4eecf7bbc2fd5a09 [0,1,1,0,0,0|1,0,1]=4 103 B11R0.273 C=C(C)CCNC(CO)C(C)O a364f7ea33321569985021a46367ff97 [0,1,1,0,0,0|1,0,1]=4 104 B11R0.273 C=C(C)CCN[C@@H](CC)[C@@H](C)O 7f4b1be21818f62536f32970f18201c3 [0,1,1,0,0,0|1,0,1]=4 105 B11R0.273 C=C(C)CCN[C@@H](CO)[C@@H](C)O a3c8bfe4769179bc7a389e8f1c657af9 [0,1,1,0,0,0|1,0,1]=4 106 B11R0.273 C=C(C)CCN[C@@H](CO)[C@H](C)O ebfeb4bae13128a9099d3fa03f239fb4 [0,1,1,0,0,0|1,0,1]=4 107 B11R0.273 C=C(C)CCN[C@H](CC)[C@@H](C)O 75ffea0224513f87e37346135bc5ea78 [0,1,1,0,0,0|1,0,1]=4 108 B11R0.273 C=C(C)CCN[C@H](CC)[C@H](C)O f53c1cb0b0a924fbdcab080ee614b4e8 [0,1,1,0,0,0|1,0,1]=4 109 B11R0.273 C=C(C)CCN[C@H](CO)[C@@H](C)O 3d8dbe3acff925f435828a4ff13f0e08 [0,1,1,0,0,0|1,0,1]=4 110 B11R0.273 C=C(C)CCN[C@H](CO)[C@H](C)O 40a0dde979e3126b64566d5fc219bf4e [0,1,1,0,0,0|1,0,1]=4 111 B11R1.23 C=CC(=O)N1CC=CC(C1)O cae57aa09f4c39ab5bd4d542740b8241 [1,1,0,0,0,0|2,0,0]=4 112 B11R1.23 C=CC(C)N1CC=CC(C1)O b0a22d74e693fb218d667b7adfcb4f72 [1,1,0,0,0,0|1,0,1]=4 113 B11R1.23 CC(C=O)N1CC=CC(C1)O 1aa347a2f67ed9f5c5aebf975cc93141 [1,1,0,0,0,0|1,0,1]=4 114 B11R1.23 CCC(=O)N1CC=CC(C1)O 03abf19da105b5201347cbb33172327e [1,1,0,0,0,0|2,0,0]=4 115 B11R1.23 C[C@H](C=O)N1CC=CC(C1)O 180722218f8259b4f417f021e354e9c8 [1,1,0,0,0,0|1,0,1]=4 116 B11R1.23 O=C(CF)N1CC=CC(C1)O 7aced3907ed4ec11dfd0f5665c18fe68 [1,1,0,0,0,0|2,0,0]=4 117 B11R1.23 O=C(CO)N1CC=CC(C1)O e6465587d9578e76f993713bd75a292a [1,1,0,0,0,0|2,0,0]=4 118 B11R1.23 O=C(CS)N1CC=CC(C1)O 294e280008728054a17df9136d8611ce [1,1,0,0,0,0|2,0,0]=4 119 B11R1.23 O=CC(=O)N1CC=CC(C1)O 93cbb7da729354d7d70d434fc06ff959 [1,1,0,0,0,0|2,0,0]=4 120 B13R1.354 C=C(C)C1CC=C(C(C1)OCC)C ce6b41618722138cd7934a3cd77ee9e5 [0,2,0,0,0,0|0,0,0]=2 121 B13R1.354 C=C(C)C1CC=C(C(C1)OCF)C 8202cfecdfc2a613bd554de9d1121ec9 [0,2,0,0,0,0|0,0,0]=2 122 B13R1.354 C=C(C)C1CCC(C(C1)OCC)C b37452ddad7570771f8eaf6c17b43a7d [0,2,0,0,0,0|0,0,2]=4 123 B13R1.354 C=C(C)C1CCC(C(C1)OCF)C eb32c7fbe1e1ebf47bd69d21f631cfe8 [0,2,0,0,0,0|0,0,2]=4 124 B13R1.354 C=C(C)[C@@H]1CC=C(C(C1)OCC)C e6c3da0960182915024645062ec5a172 [0,2,0,0,0,0|0,0,0]=2 125 B13R1.354 C=C(C)[C@@H]1CC=C(C(C1)OCF)C 9c69dfd73efa1b87ab82125559b78ab8 [0,2,0,0,0,0|0,0,0]=2 126 B13R1.354 C=C(C)[C@@H]1CC[C@H]([C@@H](C1)OCC)C 6c6f46dd41eee7c065c400e0e659be61 [0,2,0,0,0,0|0,0,2]=4 127 B13R1.354 C=C(C)[C@@H]1CC[C@H]([C@@H](C1)OCF)C e62cebd5c4d7f076b5629bd1f0c8036f [0,2,0,0,0,0|0,0,2]=4 128 B11R1.161 C=C(C)CCNC1CCC1O 39a4b4174b763e33b716bbfbd25cf1e1 [0,0,1,1,0,0|1,0,1]=4 129 B11R1.161 C=C(C)CCNC1COC1C a8da6d6eb49018792a23438bbb52ecd9 [0,0,1,1,0,0|1,0,1]=4 130 B11R1.161 C=C(C)CCN[C@@H]1CC[C@@H]1O a39a40585e865d12922391a439f3386b [0,0,1,1,0,0|1,0,1]=4 131 B11R1.161 C=C(C)CCN[C@@H]1CC[C@H]1O a79f5a617e457be18d30151f11a62884 [0,0,1,1,0,0|1,0,1]=4 132 B11R1.161 C=C(C)CCN[C@H]1CC[C@@H]1O 9d0a6b0f74e301f54658fba1054e5764 [0,0,1,1,0,0|1,0,1]=4 133 B11R1.161 C=C(C)CCN[C@H]1CC[C@H]1O 31f445057953ef25bfbb45216a7e57a9 [0,0,1,1,0,0|1,0,1]=4 134 B11R1.161 C=C(C)CCOC1COC1C 57edffb295f3b2002259e0430c5d06b7 [0,0,1,1,0,0|1,0,1]=4 135 B11R0.6 C=C(C)CCCN(C)CC(C)O 4cab7dae0256f9b45bdfd031c4cb34b1 [0,0,1,0,0,1|1,0,1]=4 136 B11R0.6 C=C(C)CCCN(C)C[C@H](C)O 24f2c734d037f27d8f7e9183c511782f [0,0,1,0,0,1|1,0,1]=4 137 B11R0.6 C=C(C)CCNC(=O)CC(C)O ff94bd0f9d644576dad4bac036329ab3 [0,0,1,0,0,1|2,0,0]=4 138 B11R0.6 C=C(C)CCNC(=O)C[C@@H](C)O 6daeefde9723b37c2e773238b5db4def [0,0,1,0,0,1|2,0,0]=4 139 B11R0.6 C=C(C)CCNC(=O)C[C@H](C)O 96ff33c2a7d2404233ed4b85a64d6025 [0,0,1,0,0,1|2,0,0]=4 140 B11R0.6 C=C(C)CCNC(C)CC(C)O 79be788131b3f830ff6ae758655e457e [0,0,1,0,0,1|1,0,1]=4 141 B11R0.29 C=C(C)CCCNC(C)C(C)O 46c971ae39520596f4f1001fad9e1bce [0,0,1,0,0,1|0,0,2]=4 142 B11R1.20 C=C(C)CN1CC=C(CC1)Br 5bfc03229361e9d08585b5f5542094bd [1,0,0,0,0,1|2,0,0]=4 143 B11R1.157 C=C(Br)CN1CC=CC(C1)O dce7ce56ed48b988422770a3b03de925 [1,0,0,0,0,1|2,0,0]=4 144 B11R1.157 C=C(C)CN1CC=CC(C1)O 4a5027daed2f6861c4803b2e9b6b2ac9 [1,0,0,0,0,1|1,0,0]=3 145 B11R1.157 C=C(Cl)CN1CC=CC(C1)O 8f1de11ce864e4cd9bfe4e9ef24e38d1 [1,0,0,0,0,1|2,0,0]=4 146 B11R1.157 C=C(F)CN1CC=CC(C1)O 8a3125e4b1563e5810ec36d83773be1a [1,0,0,0,0,1|2,0,0]=4