0 B17R1.16550 CC(=O)C1CCCCN1C(=O)CCS(=O)(=O)O 2e7459e84832c2386a9a48f67722062c [0,0,1,0,0,0|3,0,0]=4 1 B17R1.16550 CC(=O)C1CCCCN1C(=O)NCS(=O)(=O)O a57b1c65a1da1e77968d4c0132efd887 [0,0,1,0,0,0|2,0,0]=3 2 B17R1.16550 CC(=O)C1CCCCN1C(=S)NCS(=O)(=O)O 0c5a633f82b1459ecc4e33be553f58ab [0,0,1,0,0,0|2,1,0]=4 3 B17R1.16550 NC(=O)C1CCCCN1C(=O)CCS(=O)(=O)O c609e279453fcf6df0826c7cef496dc5 [0,0,1,0,0,0|2,0,0]=3 4 B17R1.16550 NC(=O)C1CCCCN1C(=O)NCS(=O)(=O)O d70f1a5265ccb6878153ab1218b453a6 [0,0,1,0,0,0|1,0,0]=2 5 B17R1.16550 NC(=O)C1CCCCN1C(=S)NCS(=O)(=O)O 1e012ead71ca03af73127713d3187f2c [0,0,1,0,0,0|1,1,0]=3 6 B17R1.16550 NC(=O)C1COCCN1C(=O)CCS(=O)(=O)O 7dcce018947e029a750b26f6c5de2d4e [0,0,1,0,0,0|3,0,0]=4 7 B17R1.16550 NC(=O)C1COCCN1C(=O)NCS(=O)(=O)O 407db086556502b83e4a2596df235dfd [0,0,1,0,0,0|2,0,0]=3 8 B17R1.16550 NC(=O)C1COCCN1C(=S)NCS(=O)(=O)O 984b0226dbd10ae499a67be539396e52 [0,0,1,0,0,0|2,1,0]=4 9 B17R1.16550 NC(=O)[C@@H]1CCCCN1C(=O)CCS(=O)(=O)O 06ef62c213293413e6916b41ae577291 [0,0,1,0,0,0|2,0,0]=3 10 B17R1.16550 NC(=O)[C@@H]1CCCCN1C(=O)NCS(=O)(=O)O 8e8feb7b31c3916398a6f8d1ee905373 [0,0,1,0,0,0|1,0,0]=2 11 B17R1.16550 NC(=O)[C@@H]1CCCCN1C(=S)NCS(=O)(=O)O 40534b5230bc317bca34dda48ef96378 [0,0,1,0,0,0|1,1,0]=3 12 B17R1.16550 NC(=O)[C@@H]1COCCN1C(=O)CCS(=O)(=O)O 5d04125fe4cac6a50e6214e95bcd87e5 [0,0,1,0,0,0|3,0,0]=4 13 B17R1.16550 NC(=O)[C@@H]1COCCN1C(=O)NCS(=O)(=O)O 5a5e1d5ba5eac562951c206fe320581f [0,0,1,0,0,0|2,0,0]=3 14 B17R1.16550 NC(=O)[C@@H]1COCCN1C(=S)NCS(=O)(=O)O 53e18875b93c0015dabfbde917b8c0ea [0,0,1,0,0,0|2,1,0]=4 15 B17R1.16550 NC(=O)[C@H]1CCCCN1C(=O)CCS(=O)(=O)O 017df534ad9672d06af8afb6fad3a21d [0,0,1,0,0,0|2,0,0]=3 16 B17R1.16550 NC(=O)[C@H]1CCCCN1C(=O)NCS(=O)(=O)O 742a1da8481f58c76a06aac04aa45960 [0,0,1,0,0,0|1,0,0]=2 17 B17R1.16550 NC(=O)[C@H]1CCCCN1C(=S)NCS(=O)(=O)O 23334fff7fe994701bcf2cb5f7ba6eb8 [0,0,1,0,0,0|1,1,0]=3 18 B17R1.16550 NC(=O)[C@H]1COCCN1C(=O)CCS(=O)(=O)O 3f28dad3fde669608264f8a78df8c6ea [0,0,1,0,0,0|3,0,0]=4 19 B17R1.16550 NC(=O)[C@H]1COCCN1C(=O)NCS(=O)(=O)O ee6864fd14d0ace72061b788da378aca [0,0,1,0,0,0|2,0,0]=3 20 B17R1.16550 NC(=O)[C@H]1COCCN1C(=S)NCS(=O)(=O)O 9192377a3a6cff81bde401fc311f3da4 [0,0,1,0,0,0|2,1,0]=4 21 B17R1.16550 O=C(O)C1SCCCN1C(=O)NCS(=O)(=O)O fd8be0e140ea4b655df25e748e1ec5ae [0,0,1,0,0,0|3,0,0]=4 22 B16R1.18701 O=CC1CCCCN1C(=O)CCS(=O)(=O)O 7e576f06cd0361a1d3772ee874dcc772 [1,0,1,0,0,0|2,0,0]=4 23 B16R1.18701 O=CC1CCCCN1C(=O)NCS(=O)(=O)O 90a78bd05ac0fa71b8914a559bb8fed3 [1,0,1,0,0,0|1,0,0]=3 24 B16R1.18701 O=CC1CCCCN1C(=S)NCS(=O)(=O)O bb08bb126095f2afead29acd06530a5a [1,0,1,0,0,0|1,1,0]=4 25 B18R1.17915 O=C(O)C1CCC(CN1C(=O)NCS(=O)(=O)O)O 5c6f3058ce86b9e386654a8cc5c95486 [0,1,1,0,0,0|2,0,0]=4 26 B18R1.17915 O=C(O)[C@@H]1CC[C@@H](CN1C(=O)NCS(=O)(=O)O)O afc512e34ee5f45c68810d3c49ce3f6c [0,1,1,0,0,0|2,0,0]=4 27 B18R1.34591 CNC(=O)[C@H]1CCCCN1C(=O)CCS(=O)(=O)O 7096583203bd5ea252a1544341ca3cf1 [0,1,1,0,0,0|2,0,0]=4 28 B18R1.34591 CNC(=O)[C@H]1CCCCN1C(=S)NCS(=O)(=O)O 90e77180a1efecde7abfc2cf206c58aa [0,1,1,0,0,0|1,1,0]=4 29 B18R1.34591 COC(=O)C1CCCCN1C(=O)NCS(=O)(=O)O 6f72d6abac75c447c4c8d3b286161145 [0,1,1,0,0,0|2,0,0]=4 30 B18R1.34591 COC(=O)[C@@H]1CCCCN1C(=O)NCS(=O)(=O)O 958d431e528ec9f806db00cf43165a87 [0,1,1,0,0,0|2,0,0]=4 31 B18R1.34591 COC(=O)[C@H]1CCCCN1C(=O)NCS(=O)(=O)O 157cbd94dd36d78c423e1698359a7a14 [0,1,1,0,0,0|2,0,0]=4 32 B18R1.160479 C[C@@H]1CCCN([C@@H]1C(=O)N)C(=O)CCS(=O)(=O)O dc1fc21388e62419ee325ff6330e03cc [0,1,1,0,0,0|2,0,0]=4 33 B18R1.160479 C[C@@H]1CCCN([C@@H]1C(=O)N)C(=O)NCS(=O)(=O)O 7236a2f423ee6db7ec825452264dd606 [0,1,1,0,0,0|1,0,0]=3 34 B18R1.160479 C[C@@H]1CCCN([C@@H]1C(=O)N)C(=S)NCS(=O)(=O)O 21fc62a90cf2d0f8a09cc825a1161a02 [0,1,1,0,0,0|1,1,0]=4 35 B18R1.176244 CC1(CCCCN1C(=O)NCS(=O)(=O)O)C(=O)O 431348c2b633b5058fb654a2758b153a [0,1,1,0,0,0|2,0,0]=4 36 B18R1.176244 C[C@@]1(CCCCN1C(=O)NCS(=O)(=O)O)C(=O)O bff673013304b7c2311021fbe37fcc60 [0,1,1,0,0,0|2,0,0]=4 37 B18R1.176244 C[C@]1(CCCCN1C(=O)NCS(=O)(=O)O)C(=O)O 06632709e1d800880d692089567ce1c8 [0,1,1,0,0,0|2,0,0]=4 38 B16R0.540 CCCC(C(=O)O)N(C)C(=O)NCS(=O)(=O)O 1da14720365dccdda82c268d58ef85a0 [0,0,2,0,0,0|2,0,0]=4 39 B16R0.2902 CCCCC(NC(=O)CCS(=O)(=O)O)C(=O)N ae66e733ec63cd670e2b32c3007e4db6 [0,0,2,0,0,0|2,0,0]=4 40 B16R0.2902 CCCCC(NC(=O)NCS(=O)(=O)O)C(=O)N 08b5aac54ae32e317fb9be0f3c341cad [0,0,2,0,0,0|1,0,0]=3 41 B16R0.2902 CCCCC(NC(=O)NCS(=O)(=O)O)C(=O)O 649656ed9d812ed97f8203f5578e0df7 [0,0,2,0,0,0|2,0,0]=4 42 B16R0.2902 CCCCC(NC(=S)NCS(=O)(=O)O)C(=O)N f88edb0a70a044c26b85b9755176a7d1 [0,0,2,0,0,0|1,1,0]=4 43 B16R0.2902 CCCC[C@@H](NC(=O)NCS(=O)(=O)O)C(=O)O 1e47be077217a228080791a6db53c817 [0,0,2,0,0,0|2,0,0]=4 44 B16R0.2902 CCCC[C@H](NC(=O)NCS(=O)(=O)O)C(=O)O 90125996b15591abea59266405f323c6 [0,0,2,0,0,0|2,0,0]=4 45 B16R0.2902 CSCC[C@H](NC(=O)NCS(=O)(=O)O)C(=O)N 66ecc72dbc48a25e7af2d98c5f55009c [0,0,2,0,0,0|2,0,0]=4 46 B16R0.6929 NC(=O)CCCCCNC(=O)CCS(=O)(=O)O 8c9da0fc65439637546b0ef9da88e586 [0,0,2,0,0,0|2,0,0]=4 47 B16R0.6929 NC(=O)CCCCCNC(=O)NCS(=O)(=O)O a3a606e02d5c8c1f241ad0c6c5e29d59 [0,0,2,0,0,0|1,0,0]=3 48 B16R0.6929 NC(=O)CCCCCNC(=S)NCS(=O)(=O)O ab84be4d644fd6f79f0b5f7c2e750966 [0,0,2,0,0,0|1,1,0]=4 49 B16R0.6929 O=C(O)CCCCCNC(=O)NCS(=O)(=O)O 4c95cbe918a7e282e7dc699997656b61 [0,0,2,0,0,0|2,0,0]=4 50 B16R0.19992 CCC(C(=O)N)N(C)C(=O)[C@H](C)OS(=O)(=O)C b34df1dd6b473b97753741f7c0e267c5 [0,0,2,0,0,0|2,0,0]=4 51 B18R2.474067 O=C1NC2CCC1N(C2)C(=O)CCS(=O)(=O)O 32480cc4080b806924b39d4956728a36 [0,0,1,1,0,0|2,0,0]=4 52 B18R2.1358253 O=C(NCS(=O)(=O)O)N1CCC2[C@]1(C2)C(=O)O 17353b4a6957198a36e487b56ae23ea2 [0,0,1,1,0,0|2,0,0]=4 53 B18R2.1358253 O=C(NCS(=O)(=O)O)N1CC[C@@H]2[C@]1(C2)C(=O)O 3755efa813ef093c2bd2b810401f0faf [0,0,1,1,0,0|2,0,0]=4 54 B18R2.1358253 O=C(NCS(=O)(=O)O)N1CC[C@H]2[C@@]1(C2)C(=O)O 49c696979f889868c59b9d3b3ffa47de [0,0,1,1,0,0|2,0,0]=4 55 B16R1.12475 CC(=O)C1CCCCN1C(=O)CS(=O)(=O)O 56595ebfc332f3e459ef18e3d2f7823d [0,0,1,0,1,0|2,0,0]=4 56 B16R1.12475 NC(=O)C1CCCCN1C(=O)CS(=O)(=O)O da419a8867f103b6543d0f91c11f7ded [0,0,1,0,1,0|1,0,0]=3 57 B16R1.12475 NC(=O)C1COCCN1C(=O)CS(=O)(=O)O 5a5480c5680b3ce2d79432b638062052 [0,0,1,0,1,0|2,0,0]=4 58 B16R1.12475 NC(=O)[C@@H]1CCCCN1C(=O)CS(=O)(=O)O 3492c07e43dd46009f73dbd62220dd81 [0,0,1,0,1,0|1,0,0]=3 59 B16R1.12475 NC(=O)[C@@H]1COCCN1C(=O)CS(=O)(=O)O 74d78a85c7476c80a7329e6c83975191 [0,0,1,0,1,0|2,0,0]=4 60 B16R1.12475 NC(=O)[C@H]1CCCCN1C(=O)CS(=O)(=O)O eb41b01f5fc2ff72db29acdcab8e5754 [0,0,1,0,1,0|1,0,0]=3 61 B16R1.12475 NC(=O)[C@H]1COCCN1C(=O)CS(=O)(=O)O 43d21aafd5b4d50255ce6f040452d530 [0,0,1,0,1,0|2,0,0]=4 62 B16R1.12509 NC(=O)C1CCCN1C(=O)CCS(=O)(=O)O aa1f0880403712abd1d7761f1ff0a97f [0,0,1,0,1,0|2,0,0]=4 63 B16R1.12509 NC(=O)C1CCCN1C(=O)NCS(=O)(=O)O ae4d095946518c14ffae369b8dcaf12a [0,0,1,0,1,0|1,0,0]=3 64 B16R1.12509 NC(=O)C1CCCN1C(=S)NCS(=O)(=O)O 523b2d75f30948dc77dcf7821fdf7db7 [0,0,1,0,1,0|1,1,0]=4 65 B16R1.12509 NC(=O)[C@@H]1CCCN1C(=O)CCS(=O)(=O)O 03b9dc436a339413cdc2851fee08853c [0,0,1,0,1,0|2,0,0]=4 66 B16R1.12509 NC(=O)[C@@H]1CCCN1C(=O)NCS(=O)(=O)O 558a12e211fcd269dbc411d68361a75c [0,0,1,0,1,0|1,0,0]=3 67 B16R1.12509 NC(=O)[C@@H]1CCCN1C(=S)NCS(=O)(=O)O c6f511564c32e547afc42b232fa91eb9 [0,0,1,0,1,0|1,1,0]=4 68 B16R1.12509 NC(=O)[C@H]1CCCN1C(=O)CCS(=O)(=O)O 5a89b5b60316e28a104a372283495070 [0,0,1,0,1,0|2,0,0]=4 69 B16R1.12509 NC(=O)[C@H]1CCCN1C(=O)NCS(=O)(=O)O 3158d79e71c55be715d245e7ff504512 [0,0,1,0,1,0|1,0,0]=3 70 B16R1.12509 NC(=O)[C@H]1CCCN1C(=S)NCS(=O)(=O)O 7e521b06480a7a8be6c1874c8994252d [0,0,1,0,1,0|1,1,0]=4 71 B18R1.21263 CC(=O)C1CCCCN1C(=O)NCCS(=O)(=O)O 0cd0e881adec03abb34b45c8e9768c5a [0,0,1,0,0,1|2,0,0]=4 72 B18R1.21263 CS(=O)(=O)CCNC(=O)N1CCCCC1C(=O)N 213c4419eee40825e623e61503d1b269 [0,0,1,0,0,1|2,0,0]=4 73 B18R1.21263 CS(=O)(=O)CCNC(=O)N1CCCC[C@@H]1C(=O)N 923338c59cb0cd9151ece6d81fe74282 [0,0,1,0,0,1|2,0,0]=4 74 B18R1.21263 CS(=O)(=O)CCNC(=O)N1CCCC[C@H]1C(=O)N 65b32c0d985f1f02e3dca557701672ae [0,0,1,0,0,1|2,0,0]=4 75 B18R1.21263 NC(=O)C1CCCCN1C(=O)NCCS(=O)(=O)N 97f0704e1f74eff42515fca8b0a29820 [0,0,1,0,0,1|2,0,0]=4 76 B18R1.21263 NC(=O)C1CCCCN1C(=O)NCCS(=O)(=O)O 172f2378a61f57dbe8edc17c1a95ce7a [0,0,1,0,0,1|1,0,0]=3 77 B18R1.21263 NC(=O)C1CCCCN1C(=S)NCCS(=O)(=O)O 7ee11a9e4d4f9f71c218b9c4ba831ac9 [0,0,1,0,0,1|1,1,0]=4 78 B18R1.21263 NC(=O)C1COCCN1C(=O)NCCS(=O)(=O)O 504c968158c70b31e099efe6c88c6df5 [0,0,1,0,0,1|2,0,0]=4 79 B18R1.21263 NC(=O)[C@@H]1CCCCN1C(=O)NCCS(=O)(=O)N 966a666bc0cc23fcf3ebf2be93b00c17 [0,0,1,0,0,1|2,0,0]=4 80 B18R1.21263 NC(=O)[C@@H]1CCCCN1C(=O)NCCS(=O)(=O)O e165019cdecc94f4342203fe63075390 [0,0,1,0,0,1|1,0,0]=3 81 B18R1.21263 NC(=O)[C@@H]1CCCCN1C(=S)NCCS(=O)(=O)O 2e91ffdc03347329b5452ca83ea56126 [0,0,1,0,0,1|1,1,0]=4 82 B18R1.21263 NC(=O)[C@@H]1COCCN1C(=O)NCCS(=O)(=O)O 50d200f27cb7fa61d9b4253a938d7a52 [0,0,1,0,0,1|2,0,0]=4 83 B18R1.21263 NC(=O)[C@H]1CCCCN1C(=O)NCCS(=O)(=O)N af5ae471e4f8bcf1c710eefe6971f4f1 [0,0,1,0,0,1|2,0,0]=4 84 B18R1.21263 NC(=O)[C@H]1CCCCN1C(=O)NCCS(=O)(=O)O da5281994fcda6d53683d9c1b1d82a9f [0,0,1,0,0,1|1,0,0]=3 85 B18R1.21263 NC(=O)[C@H]1CCCCN1C(=S)NCCS(=O)(=O)O c1fbde83869ed5c0de351353e6a61cba [0,0,1,0,0,1|1,1,0]=4 86 B18R1.21263 NC(=O)[C@H]1COCCN1C(=O)NCCS(=O)(=O)O d6baaa06c50d314895fdacb40f68b77f [0,0,1,0,0,1|2,0,0]=4 87 B18R1.21283 NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)NCS(=O)(=O)O 7d9581685e8818ff9801abc705bea72e [0,0,1,0,0,1|2,0,0]=4 88 B18R1.21283 NC(=O)[C@@H]1CCCC[C@H]1NC(=O)NCS(=O)(=O)O b3fa3f1ea600c12c119abfc1ffd6d236 [0,0,1,0,0,1|2,0,0]=4 89 B18R1.21283 NC(=O)[C@H]1CCCC[C@@H]1NC(=O)NCS(=O)(=O)O f86757cf28721fd5f97af30f8e7b2236 [0,0,1,0,0,1|2,0,0]=4 90 B18R1.21283 NC(=O)[C@H]1CCCC[C@H]1NC(=O)NCS(=O)(=O)O 57853d474985bb964bf94c3d3790c9e8 [0,0,1,0,0,1|2,0,0]=4 91 B18R1.37079 NC(=O)CC1CCCCN1C(=O)CCS(=O)(=O)O a2eb3921d0092281c04fc73d0ecf9183 [0,0,1,0,0,1|2,0,0]=4 92 B18R1.37079 NC(=O)CC1CCCCN1C(=O)NCS(=O)(=O)O 0d303ad996d148beeb60057f6c18cf80 [0,0,1,0,0,1|1,0,0]=3 93 B18R1.37079 NC(=O)CC1CCCCN1C(=S)NCS(=O)(=O)O c3567995cfa442fe8ce603a4bf5fd4e7 [0,0,1,0,0,1|1,1,0]=4 94 B18R1.37079 NC(=O)C[C@@H]1CCCCN1C(=O)CCS(=O)(=O)O 10fd6a53827723a89755b55ccc6faf61 [0,0,1,0,0,1|2,0,0]=4 95 B18R1.37079 NC(=O)C[C@@H]1CCCCN1C(=O)NCS(=O)(=O)O cf840cb89ea92470e63b9c9d3722a2a4 [0,0,1,0,0,1|1,0,0]=3 96 B18R1.37079 NC(=O)C[C@@H]1CCCCN1C(=S)NCS(=O)(=O)O efae94fdb2e95194475ad3c19cf8f932 [0,0,1,0,0,1|1,1,0]=4 97 B18R1.37079 NC(=O)C[C@H]1CCCCN1C(=O)CCS(=O)(=O)O 37712ddd6e4389a0128dca47ebfb3db8 [0,0,1,0,0,1|2,0,0]=4 98 B18R1.37079 NC(=O)C[C@H]1CCCCN1C(=O)NCS(=O)(=O)O dae208bd24f9e20320761e0420b3230f [0,0,1,0,0,1|1,0,0]=3 99 B18R1.37079 NC(=O)C[C@H]1CCCCN1C(=S)NCS(=O)(=O)O d2b19b02c5a348a44608bd4c1ad361ac [0,0,1,0,0,1|1,1,0]=4 100 B18R1.175021 O=C(O)C1CCCCN(C1)C(=O)NCS(=O)(=O)O 2de8b82cbe11fad0c796ff2c6c76f08e [0,0,1,0,0,1|2,0,0]=4