0 B11R0.181 CC(CC(=O)O)(NCO)C(=O)O db34773c02443da07ccdb301f60d3f69 [1,0,0,0,0,0|2,0,1]=4 1 B13R0.617 C=C(Br)CNC(C)(CC(=O)O)C(=O)O 1d03f36d09a1b6e5d7ba3ea62afa13c1 [0,0,0,0,0,1|3,0,0]=4 2 B13R0.617 C=C(C)CNC(C)(CC(=O)O)C(=O)O 7390f2d78705edbc39d4be9a05ad8f33 [0,0,0,0,0,1|3,0,0]=4 3 B13R0.617 C=C(Cl)CNC(C)(CC(=O)O)C(=O)O 397171ac6bd34c66f92301bbd943adf4 [0,0,0,0,0,1|3,0,0]=4 4 B13R0.617 C=C(F)CNC(C)(CC(=O)O)C(=O)O 482ba69c23cc4f27cb1a35382663a30b [0,0,0,0,0,1|3,0,0]=4 5 B13R0.617 CC(CC(=O)O)(NCC(=O)N)C(=O)O ff17a5c6f6750f333693707c65dcf251 [0,0,0,0,0,1|2,0,0]=3 6 B13R0.617 CC(CC(=O)O)(NCC(=O)O)C(=O)O cc2675387ccba20e7d7340d7559b6881 [0,0,0,0,0,1|1,0,0]=2 7 B13R0.617 CC(CC(=O)O)(NC[N+](=O)[O-])C(=O)O 3e5b749df51d33a365c695b6b50a62e4 [0,0,0,0,0,1|2,0,1]=4 8 B13R0.617 CC(O)CNC(C)(CC(=O)O)C(=O)O 637f4773742711ec34867f1e1152edd6 [0,0,0,0,0,1|2,0,1]=4 9 B13R0.617 C[C@@H](O)CNC(C)(CC(=O)O)C(=O)O b2433819831d901fc59577a095f52705 [0,0,0,0,0,1|2,0,1]=4 10 B13R0.617 C[C@H](O)CNC(C)(CC(=O)O)C(=O)O b9aa1e25b19cd346671feeb0ec5e584b [0,0,0,0,0,1|2,0,1]=4 11 B10R0.23 O=C(O)CC(NCO)C(=O)O 5ae714aad5bc6fe0e19ac50c58e6e2c7 [2,0,0,0,0,0|1,0,1]=4 12 B10R0.23 O=C(O)C[C@@H](NCO)C(=O)O 75f8e87975d1f8fdf40f8120d39693c5 [2,0,0,0,0,0|1,0,1]=4 13 B10R0.23 O=C(O)C[C@H](NCO)C(=O)O e61662c7a4cb84933cc900f7840ca9b9 [2,0,0,0,0,0|1,0,1]=4 14 B10R0.70 O=C(O)CN(CO)CC(=O)O 6f90ef6a2fb743a909c84b26c578b95f [2,0,0,0,0,0|1,0,1]=4 15 B12R0.151 C=C(C=O)OC(CC(=O)O)C(=O)O 337e7a01bc4d3c409e7cfd996c05f808 [1,1,0,0,0,0|2,0,0]=4 16 B12R0.151 C=C(C=O)O[C@@H](CC(=O)O)C(=O)O 0e081b2255ed568a04c272df1dd8671e [1,1,0,0,0,0|2,0,0]=4 17 B12R0.151 C=C(C=O)O[C@H](CC(=O)O)C(=O)O d4d1508c7eb766e96510563b7743061b [1,1,0,0,0,0|2,0,0]=4 18 B12R0.356 C=CCNC(C)(CC(=O)O)C(=O)O e8c68ef2a37a071fb4f188e41c63f8bf [1,1,0,0,0,0|2,0,0]=4 19 B12R0.356 CC(CC(=O)O)(NCC=O)C(=O)O 8fa1bad919da2b8b644b8801b415d37e [1,1,0,0,0,0|1,0,0]=3 20 B12R0.356 CC(CC(=O)O)(NCCO)C(=O)O d053e48b6436f558f84a161c8a794061 [1,1,0,0,0,0|1,0,1]=4 21 B14R0.1753 C=C(CNC(C)(CC(=O)O)C(=O)O)OC bc076596f3fa7bae4eb3de4602f5312e [0,1,0,0,0,1|2,0,0]=4 22 B14R0.1753 C=C(CO)CNC(C)(CC(=O)O)C(=O)O 09718b34b8306e8eb96fbefd4a191e6a [0,1,0,0,0,1|2,0,0]=4 23 B14R0.1753 CC(CC(=O)O)(NCC(=O)CO)C(=O)O b78e2d3d466d92a768ee088616bbf785 [0,1,0,0,0,1|1,0,0]=3 24 B14R0.1753 CCC(=O)CNC(C)(CC(=O)O)C(=O)O b8a0ea6d0049c17fcf23cb1175b645c1 [0,1,0,0,0,1|2,0,0]=4 25 B14R0.1753 CNC(=O)CNC(C)(CC(=O)O)C(=O)O d6ba649deb86877c7186b6872f48958c [0,1,0,0,0,1|2,0,0]=4 26 B14R0.1753 COC(=O)CNC(C)(CC(=O)O)C(=O)O 3d8b26d5342e2866d3ad3e571ca66bee [0,1,0,0,0,1|1,0,0]=3 27 B14R0.4684 CC(=O)C(C)NC(C)(CC(=O)O)C(=O)O 5c3e16c9c5bda92f5d5ef984debc96ca [0,1,0,0,0,1|2,0,0]=4 28 B14R0.4684 CC(CC(=O)O)(NC(F)C(=O)N)C(=O)O 5bcdb9c2730f2ccbaae23ae3ebc1908e [0,1,0,0,0,1|2,0,0]=4 29 B14R0.4684 CC(CC(=O)O)(NC(F)C(=O)O)C(=O)O 5af0e47b64356926899d7a4d9077a26c [0,1,0,0,0,1|1,0,0]=3 30 B14R0.4684 CC(CC(=O)O)(N[C@@H](F)C(=O)O)C(=O)O 90af99435dc87eefe9a062f2da5735e7 [0,1,0,0,0,1|1,0,0]=3 31 B14R0.4684 CC(NC(C)(CC(=O)O)C(=O)O)C(=O)N 70558fff3cbf0a2dd644b6e85da5ef0e [0,1,0,0,0,1|2,0,0]=4 32 B14R0.4684 CC(NC(C)(CC(=O)O)C(=O)O)C(=O)O 6706c7323c3ea721914d21a991b9f142 [0,1,0,0,0,1|1,0,0]=3 33 B14R0.4684 C[C@@H](NC(C)(CC(=O)O)C(=O)O)C(=O)N 8a4a0795e0412e37f4255bb7fea4ce43 [0,1,0,0,0,1|2,0,0]=4 34 B14R0.4684 C[C@@H](NC(C)(CC(=O)O)C(=O)O)C(=O)O bd487e453452741fbd4729d08a52470c [0,1,0,0,0,1|1,0,0]=3 35 B14R0.4684 C[C@H](NC(C)(CC(=O)O)C(=O)O)C(=O)N 273f9960f5cf52c6f4922f987dc87be9 [0,1,0,0,0,1|2,0,0]=4 36 B14R0.4684 C[C@H](NC(C)(CC(=O)O)C(=O)O)C(=O)O 34ad18534d553de2c7e1b8efcd85dbde [0,1,0,0,0,1|1,0,0]=3 37 B14R0.4696 CC(CC(=O)O)(NCS(=O)(=O)O)C(=O)O c02943fde22c8fa0abe84ae4cae92b03 [0,1,0,0,0,1|2,0,0]=4 38 B12R0.41 NC(=O)CN(CC(=O)O)CC(=O)O c448fea111a1c66b80104e86ebac93e2 [1,0,0,0,0,1|2,0,0]=4 39 B12R0.41 O=C(O)CN(CC(=O)O)CC(=O)O cce4877dfc0cdd9108eb836f9514e286 [1,0,0,0,0,1|1,0,0]=3 40 B12R0.138 C=C(Br)CC(NCC(=O)O)C(=O)O a7322436a5be3892294a842b98bd02e1 [1,0,0,0,0,1|2,0,0]=4 41 B12R0.138 C=C(Br)CNC(CC(=O)O)C(=O)O 3b859e7fc88316bfa825c7c1abe6b55c [1,0,0,0,0,1|2,0,0]=4 42 B12R0.138 C=C(Br)CN[C@@H](CC(=O)O)C(=O)O 24f8d3a2d9fb6d3c3b3b35c672d19667 [1,0,0,0,0,1|2,0,0]=4 43 B12R0.138 C=C(Br)CN[C@H](CC(=O)O)C(=O)O f70a97b9f9857228d91d690ae522f189 [1,0,0,0,0,1|2,0,0]=4 44 B12R0.138 C=C(Br)COC(CC(=O)O)C(=O)O 3cc6596155c054a2d4f7d03fb0f3dd2d [1,0,0,0,0,1|2,0,0]=4 45 B12R0.138 C=C(Br)CO[C@@H](CC(=O)O)C(=O)O 5abac6d5463306ef88df83c6b95823a4 [1,0,0,0,0,1|2,0,0]=4 46 B12R0.138 C=C(Br)CO[C@H](CC(=O)O)C(=O)O f88d5bd57c9f743bb0401ddf0fad6017 [1,0,0,0,0,1|2,0,0]=4 47 B12R0.138 C=C(Br)C[C@@H](NCC(=O)O)C(=O)O 977e2088205a3c321e58ed6c26c7a1ea [1,0,0,0,0,1|2,0,0]=4 48 B12R0.138 C=C(Br)C[C@H](NCC(=O)O)C(=O)O 264a6c6744f7df702a66b2163eafd56e [1,0,0,0,0,1|2,0,0]=4 49 B12R0.138 C=C(C)CC(NCC(=O)O)C(=O)O d7538aeabfc0b8facb5f4bcc9c7fc33a [1,0,0,0,0,1|2,0,0]=4 50 B12R0.138 C=C(C)CNC(CC(=O)O)C(=O)O e73e1bac89d96064dd199f03c75d66b7 [1,0,0,0,0,1|2,0,0]=4 51 B12R0.138 C=C(C)CN[C@@H](CC(=O)O)C(=O)O 7862a3018e8f4cbabb5f9a04bbff2ce6 [1,0,0,0,0,1|2,0,0]=4 52 B12R0.138 C=C(C)CN[C@H](CC(=O)O)C(=O)O 91fbf8ea8cb308aa3f0eb6d5c4470d35 [1,0,0,0,0,1|2,0,0]=4 53 B12R0.138 C=C(C)COC(CC(=O)O)C(=O)O 3650c34e6a542ed9cf88acb6d6b2bc59 [1,0,0,0,0,1|2,0,0]=4 54 B12R0.138 C=C(C)CO[C@@H](CC(=O)O)C(=O)O 7e3a1605014089454dac1dc2043628cd [1,0,0,0,0,1|2,0,0]=4 55 B12R0.138 C=C(C)CO[C@H](CC(=O)O)C(=O)O a46a7e5dba8fae80acc0dd3e4ad99722 [1,0,0,0,0,1|2,0,0]=4 56 B12R0.138 C=C(C)C[C@@H](NCC(=O)O)C(=O)O 18f52cb79e51ca16ccf314756abe532a [1,0,0,0,0,1|2,0,0]=4 57 B12R0.138 C=C(C)C[C@H](NCC(=O)O)C(=O)O 62ddedaf963c91058b0e896775271cc5 [1,0,0,0,0,1|2,0,0]=4 58 B12R0.138 C=C(Cl)CNC(CC(=O)O)C(=O)O 1a2dd99bd0d9f829918ad6017b4e8c3b [1,0,0,0,0,1|2,0,0]=4 59 B12R0.138 C=C(Cl)CN[C@@H](CC(=O)O)C(=O)O 67e867e991a160f5e4d61742f945225c [1,0,0,0,0,1|2,0,0]=4 60 B12R0.138 C=C(Cl)CN[C@H](CC(=O)O)C(=O)O eebff12db301d5392d301f727736b053 [1,0,0,0,0,1|2,0,0]=4 61 B12R0.138 C=C(Cl)COC(CC(=O)O)C(=O)O b48b22733fd9f646921201e7344a18ea [1,0,0,0,0,1|2,0,0]=4 62 B12R0.138 C=C(Cl)CO[C@@H](CC(=O)O)C(=O)O 3b4c3c4be33ca6293e2fbafb2991c418 [1,0,0,0,0,1|2,0,0]=4 63 B12R0.138 C=C(Cl)CO[C@H](CC(=O)O)C(=O)O 510d0ceaa7c979a3ac0d91dfd6c62990 [1,0,0,0,0,1|2,0,0]=4 64 B12R0.138 C=C(F)CNC(CC(=O)O)C(=O)O dedba3c58ae590ba13e5601d92a83a90 [1,0,0,0,0,1|2,0,0]=4 65 B12R0.138 C=C(F)CN[C@@H](CC(=O)O)C(=O)O 00d3113a009c34c1f5867e03e3f1442b [1,0,0,0,0,1|2,0,0]=4 66 B12R0.138 C=C(F)CN[C@H](CC(=O)O)C(=O)O f8bf954f3c1cfd187e871da00154f420 [1,0,0,0,0,1|2,0,0]=4 67 B12R0.138 C=C(F)COC(CC(=O)O)C(=O)O 9646ff997f2e5eab1af5c027bdeb6938 [1,0,0,0,0,1|2,0,0]=4 68 B12R0.138 C=C(F)CO[C@@H](CC(=O)O)C(=O)O 2a16acfbc4aa58f9d4d1657f2f5362db [1,0,0,0,0,1|2,0,0]=4 69 B12R0.138 C=C(F)CO[C@H](CC(=O)O)C(=O)O 08c8ee619a9acd3f13b170bd6a240750 [1,0,0,0,0,1|2,0,0]=4 70 B12R0.138 C=C(I)COC(CC(=O)O)C(=O)O f370a9d186f30e4670032f8b07d81342 [1,0,0,0,0,1|2,0,0]=4 71 B12R0.138 C=C(I)CO[C@@H](CC(=O)O)C(=O)O 0b9dba78b8d987f9540528903acbadd2 [1,0,0,0,0,1|2,0,0]=4 72 B12R0.138 C=C(I)CO[C@H](CC(=O)O)C(=O)O 7908847a207578ac3704b2da40da3770 [1,0,0,0,0,1|2,0,0]=4 73 B12R0.138 CC(=O)CC(OCC(=O)O)C(=O)C b392c512c9623a2fa915f3666fa33f54 [1,0,0,0,0,1|2,0,0]=4 74 B12R0.138 CC(=O)CNC(CC(=O)O)C(=O)O 95463b95bba8db1c501c00abff7e0f49 [1,0,0,0,0,1|1,0,0]=3 75 B12R0.138 CC(=O)COC(CC(=O)O)C(=O)O e3ee15f6586977965769b1ec797a4d59 [1,0,0,0,0,1|1,0,0]=3 76 B12R0.138 CC(O)CNC(CC(=O)O)C(=O)O ace1c6caae18d4f92fcba279c5b63036 [1,0,0,0,0,1|1,0,1]=4 77 B12R0.138 CC(O)CN[C@@H](CC(=O)O)C(=O)O 83e99650c6dc318fbfaa77645d658d4c [1,0,0,0,0,1|1,0,1]=4 78 B12R0.138 CC(O)CN[C@H](CC(=O)O)C(=O)O 2fdb1abbe279ba36100739b46f7a4fb1 [1,0,0,0,0,1|1,0,1]=4 79 B12R0.138 CS(=O)C[C@H](NCC(=O)O)C(=O)O 76e0d8a03b52ecf36f3dec1d28b723e2 [1,0,0,0,0,1|2,0,0]=4 80 B12R0.138 C[C@@H](O)CNC(CC(=O)O)C(=O)O 7c2a370ef1ce204fe3e6bc1c6a81d7bc [1,0,0,0,0,1|1,0,1]=4 81 B12R0.138 C[C@@H](O)CN[C@@H](CC(=O)O)C(=O)O 37bf914c9676555c7baa902df736e09a [1,0,0,0,0,1|1,0,1]=4 82 B12R0.138 C[C@@H](O)CN[C@H](CC(=O)O)C(=O)O 69053ad5dd58e50830d102df40eac1db [1,0,0,0,0,1|1,0,1]=4 83 B12R0.138 C[C@@H](O)[C@@H](CC(=O)O)NCC(=O)O d3862ce753690e63fce611feda2bc3a6 [1,0,0,0,0,1|1,0,1]=4 84 B12R0.138 C[C@H](O)CNC(CC(=O)O)C(=O)O 1813077d522a36f102bb0a049b84e53f [1,0,0,0,0,1|1,0,1]=4 85 B12R0.138 C[C@H](O)CN[C@@H](CC(=O)O)C(=O)O adbe6d312ff82611a0f9b0cffedd060f [1,0,0,0,0,1|1,0,1]=4 86 B12R0.138 C[C@H](O)CN[C@H](CC(=O)O)C(=O)O ef6cde533033f4f112694c445a8c92d5 [1,0,0,0,0,1|1,0,1]=4 87 B12R0.138 NC(=O)C(CC(=O)O)NCC(=O)O 4442289c20b2fd1b5165d28dd8bd5da7 [1,0,0,0,0,1|1,0,0]=3 88 B12R0.138 NC(=O)CC(NCC(=O)O)C(=O)O 5798e25332021c38421c3a40312591dc [1,0,0,0,0,1|1,0,0]=3 89 B12R0.138 NC(=O)CNC(CC(=O)N)C(=O)O ae360c43dd383a3f63a19966a16f20f1 [1,0,0,0,0,1|2,0,0]=4 90 B12R0.138 NC(=O)CNC(CC(=O)O)C(=O)N ead54bcba565676b4cef143d86655775 [1,0,0,0,0,1|2,0,0]=4 91 B12R0.138 NC(=O)CNC(CC(=O)O)C(=O)O 2cfb23af1013fc7bec3eae579afc9468 [1,0,0,0,0,1|1,0,0]=3 92 B12R0.138 NC(=O)CN[C@@H](CC(=O)N)C(=O)O 04ee53299d8033aa78275c729e3005b6 [1,0,0,0,0,1|2,0,0]=4 93 B12R0.138 NC(=O)CN[C@@H](CC(=O)O)C(=O)O 5ea2a7500d10f59cbbd0ef4c79ada3dd [1,0,0,0,0,1|1,0,0]=3 94 B12R0.138 NC(=O)CN[C@@H](CS(=O)O)C(=O)O a26439fbbba308fda9e306ce2508f5ae [1,0,0,0,0,1|2,0,0]=4 95 B12R0.138 NC(=O)CN[C@H](CC(=O)N)C(=O)O 6cabcc5a45125a7d8ca326bd65133c6c [1,0,0,0,0,1|2,0,0]=4 96 B12R0.138 NC(=O)CN[C@H](CC(=O)O)C(=O)N 45dcb4c2ab54892ba9a15c0042e76edd [1,0,0,0,0,1|2,0,0]=4 97 B12R0.138 NC(=O)CN[C@H](CC(=O)O)C(=O)O 3541ae4ba37d785067d5fa5f2725bc23 [1,0,0,0,0,1|1,0,0]=3 98 B12R0.138 NC(=O)COC(CC(=O)O)C(=O)O 1865cecefb9befca2ee332c615c0a375 [1,0,0,0,0,1|1,0,0]=3 99 B12R0.138 NC(=O)CO[C@@H](CC(=O)O)C(=O)O deb1abab1f044e2ece7c277d09e4938a [1,0,0,0,0,1|1,0,0]=3 100 B12R0.138 NC(=O)CO[C@H](CC(=O)O)C(=O)O 7b7865b66fac8d32cf0f35ddf302ce26 [1,0,0,0,0,1|1,0,0]=3 101 B12R0.138 NC(=O)C[C@@H](NCC(=O)O)C(=O)N 083fab86a1007af0fe199e4c17351b30 [1,0,0,0,0,1|2,0,0]=4 102 B12R0.138 NC(=O)C[C@@H](NCC(=O)O)C(=O)O 51ceae23fdd925f7a58a8325bd220d6f [1,0,0,0,0,1|1,0,0]=3 103 B12R0.138 NC(=O)C[C@H](NCC(=O)O)C(=O)N e08c77a53d1a7f91d95fe638fb4fce35 [1,0,0,0,0,1|2,0,0]=4 104 B12R0.138 NC(=O)C[C@H](NCC(=O)O)C(=O)O 70122cb39f9632373906db1427177731 [1,0,0,0,0,1|1,0,0]=3 105 B12R0.138 NC(=O)[C@@H](CC(=O)O)NCC(=O)O b5d718c52a6b2b6277073390f98f269b [1,0,0,0,0,1|1,0,0]=3 106 B12R0.138 NC(=S)COC(CC(=O)O)C(=O)O 5440004c19e5af2cf4e4409e0b644dca [1,0,0,0,0,1|1,1,0]=4 107 B12R0.138 O=C(O)CC(NC[N+](=O)[O-])C(=O)O e4bb4c0b26aa11e49cb4ca96f4ec00ab [1,0,0,0,0,1|1,0,1]=4 108 B12R0.138 O=C(O)CC(OCS(=O)O)C(=O)O 4af5a9cb870ad1d0d0a30a4530c2529b [1,0,0,0,0,1|1,0,0]=3 109 B12R0.138 O=C(O)CC(OC[N+](=O)[O-])C(=O)O 05ed06ac93290316b09b721caa855c02 [1,0,0,0,0,1|1,0,1]=4 110 B12R0.138 O=C(O)CNC(CC(=O)O)C(=O)O 7176360bedf13cff828e108ab14153ae [1,0,0,0,0,1|0,0,0]=2 111 B12R0.138 O=C(O)CN[C@@H](CC(=O)O)C(=O)O 80cafa4acc80110ef14a9f5fb342d7b1 [1,0,0,0,0,1|0,0,0]=2 112 B12R0.138 O=C(O)CN[C@@H](CS(=O)O)C(=O)O fa179a5c86748b46cc85a1f1c7ca4b92 [1,0,0,0,0,1|1,0,0]=3 113 B12R0.138 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