0 B11R0.29 CC(=O)C(C)SCCNC(=O)N 62a_100009814033_200000034859 [0,0,0,0,0,0|4,0,0]=4 1 B11R0.29 CC(=O)C(C)SCCNC(=O)N 62a_200000034859_100009814033 [0,0,0,0,0,0|4,0,0]=4 2 B11R0.29 CC(=O)NCCN[C@@H](C)C(=O)O 269956a_100000743915_100000189650 [0,0,0,0,0,0|4,0,0]=4 3 B11R0.29 CC(CNCCC(=O)N)C(=O)O 269956a_100000749485_100000744528 [0,0,0,0,0,0|4,0,0]=4 4 B11R0.29 CC(NCCNC(=O)N)C(=O)N 34a_100020590234_100000702099 [0,0,0,0,0,0|4,0,0]=4 5 B11R0.29 CC(OCCNC(=O)N)C(=O)N 34a_100000181757_100000702099 [0,0,0,0,0,0|4,0,0]=4 6 B11R0.29 CC(SCCNC(=O)N)C(=O)N 62a_100000702099_200000034859 [0,0,0,0,0,0|4,0,0]=4 7 B11R0.29 CC(SCCNC(=O)N)C(=O)N 62a_200000034859_100000702099 [0,0,0,0,0,0|4,0,0]=4 8 B11R0.29 C[C@@H](NCCNC(=O)N)C(=O)N 2230a_100000119354_200000034859 [0,0,0,0,0,0|4,0,0]=4 9 B11R0.29 C[C@@H](OCCNC(=O)N)C(=O)N 7a_100000731257_200000034859 [0,0,0,0,0,0|4,0,0]=4 10 B11R0.29 C[C@H](NCCCC(=O)N)C(=O)O 269956a_100000743915_100102525003 [0,0,0,0,0,0|4,0,0]=4 11 B11R0.29 C[C@H](NCCNC(=O)N)C(=O)O 269956a_100000743915_200000034859 [0,0,0,0,0,0|3,0,0]=3 12 B11R0.29 C[C@H](OCCNC(=O)N)C(=O)[O-] 7a_217856618621_200000034859 [0,0,0,0,0,0|3,0,1]=4 13 B11R0.29 NC(=O)CCNCC(F)C(=O)O 269956a_100000084737_100000744528 [0,0,0,0,0,0|4,0,0]=4 14 B11R0.29 NC(=O)CCOC[C@H](N)C(=O)N 34a_100000729942_100000731001 [0,0,0,0,0,0|4,0,0]=4 15 B11R0.29 NC(=O)NCCNC(F)C(=O)N 34a_100020590234_100009813875 [0,0,0,0,0,0|4,0,0]=4 16 B11R0.29 NC(=O)NCCNC(F)C(=O)[O-] 34a_100020590234_100020610796 [0,0,0,0,0,0|3,0,1]=4 17 B11R0.29 NC(=O)NCCOC(F)C(=O)N 34a_100000181757_100009813875 [0,0,0,0,0,0|4,0,0]=4 18 B11R0.29 NC(=O)NCCOC(F)C(=O)[O-] 34a_100000181757_100020610796 [0,0,0,0,0,0|3,0,1]=4 19 B11R0.29 NC(=O)NCCSC(F)C(=O)N 62a_100009813875_200000034859 [0,0,0,0,0,0|4,0,0]=4 20 B11R0.29 NC(=O)NCCSC(F)C(=O)N 62a_200000034859_100009813875 [0,0,0,0,0,0|4,0,0]=4 21 B11R0.29 NC(=O)NCCSC(F)C(=O)[O-] 62a_100020610796_200000034859 [0,0,0,0,0,0|3,0,1]=4 22 B11R0.29 NC(=O)NCCSC(F)C(=O)[O-] 62a_200000034859_100020610796 [0,0,0,0,0,0|3,0,1]=4 23 B10R0.97 CC(=O)CCCCCC(=O)N 1458a_100000070787_100009817443 [1,0,0,0,0,0|3,0,0]=4 24 B10R0.97 CC(=O)NCCCCC(=O)N 11a_100000696515_100015343762 [1,0,0,0,0,0|3,0,0]=4 25 B10R0.97 CC(=O)NCCCCC(=O)N 1626a_100000696515_100015343762 [1,0,0,0,0,0|3,0,0]=4 26 B10R0.97 CC(=O)NCCCCC(=O)N 240690a_100000696515_100015343762 [1,0,0,0,0,0|3,0,0]=4 27 B10R0.97 CC(=O)NCCCCC(=O)N 527a_100000696515_100103153847 [1,0,0,0,0,0|3,0,0]=4 28 B10R0.97 CC(=O)NCCNCC(=O)O 269956a_100016091260_100000189650 [1,0,0,0,0,0|3,0,0]=4 29 B10R0.97 NC(=O)CCCNCC(=O)O 269956a_100016091260_100102525003 [1,0,0,0,0,0|3,0,0]=4 30 B10R0.97 NC(=O)CNCCNC(=O)N 2230a_100000711301_200000034859 [1,0,0,0,0,0|3,0,0]=4 31 B10R0.97 NC(=O)CNCCNC(=O)N 34a_100020590234_100000187820 [1,0,0,0,0,0|3,0,0]=4 32 B10R0.97 NC(=O)COCCNC(=O)N 34a_100000181757_100000187820 [1,0,0,0,0,0|3,0,0]=4 33 B10R0.97 NC(=O)CSCCNC(=O)N 62a_100000747473_200000034859 [1,0,0,0,0,0|3,0,0]=4 34 B10R0.97 NC(=O)CSCCNC(=O)N 62a_200000034859_100000747473 [1,0,0,0,0,0|3,0,0]=4 35 B10R0.97 NC(=O)NCCNCC(=O)O 269956a_100016091260_200000034859 [1,0,0,0,0,0|2,0,0]=3 36 B10R0.97 NC(=O)NCCNCC(=O)[O-] 34a_100020590234_100020667443 [1,0,0,0,0,0|2,0,1]=4 37 B10R0.97 NC(=O)NCCOCC(=O)[O-] 34a_100000181757_100020667443 [1,0,0,0,0,0|2,0,1]=4 38 B10R0.97 NC(=O)NCCSCC(=O)[O-] 62a_100020667443_200000034859 [1,0,0,0,0,0|2,0,1]=4 39 B10R0.97 NC(=O)NCCSCC(=O)[O-] 62a_200000034859_100020667443 [1,0,0,0,0,0|2,0,1]=4 40 B12R0.86 COC(=O)C(C)NCCNC(=O)N 34a_100020590234_100000211248 [0,1,0,0,0,0|3,0,0]=4 41 B12R0.86 COC(=O)C(C)OCCNC(=O)N 34a_100000181757_100000211248 [0,1,0,0,0,0|3,0,0]=4 42 B12R0.86 COC(=O)C(C)SCCNC(=O)N 62a_100000211248_200000034859 [0,1,0,0,0,0|3,0,0]=4 43 B12R0.86 COC(=O)C(C)SCCNC(=O)N 62a_200000034859_100000211248 [0,1,0,0,0,0|3,0,0]=4 44 B12R0.86 COC(=O)[C@H](N)COCCC(=O)N 34a_100000003586_100000731001 [0,1,0,0,0,0|3,0,0]=4 45 B12R0.238 C=C[C@H](NCCNC(=O)N)C(=O)O 269956a_100016992060_200000034859 [0,1,0,0,0,0|3,0,0]=4 46 B12R0.238 CC[C@@H](NCCNC(=O)N)C(=O)O 269956a_100000747097_200000034859 [0,1,0,0,0,0|3,0,0]=4 47 B12R0.238 NC(=O)NCCNC(CO)C(=O)O 269956a_100000187304_200000034859 [0,1,0,0,0,0|3,0,0]=4 48 B12R0.686 CC(C(=O)O)N(C)CCNC(=O)N 269956a_100000749554_200000034859 [0,1,0,0,0,0|3,0,0]=4 49 B12R1.258 CC(=O)C1CCCN(C1)C(=O)N 1458a_100000212328_200000210301 [0,0,0,1,0,0|3,0,0]=4 50 B12R1.258 [13CH3]C(=O)C1CCCN(C1)C(=O)N 1458a_100000212328_200025704644 [0,0,0,1,0,0|3,0,0]=4 51 B10R0.98 CC(CNCC(=O)N)C(=O)O 269956a_100000749485_100000187820 [0,0,0,0,1,0|3,0,0]=4 52 B10R0.98 C[C@H](NCCC(=O)N)C(=O)O 269956a_100000743915_100000744528 [0,0,0,0,1,0|3,0,0]=4 53 B10R0.98 NC(=O)CNCC(F)C(=O)O 269956a_100000084737_100000187820 [0,0,0,0,1,0|3,0,0]=4 54 B10R0.98 NC(=O)COC[C@H](N)C(=O)N 34a_100000729942_100000187820 [0,0,0,0,1,0|3,0,0]=4 55 B12R0.42 CC(=O)C(C)COCCNC(=O)N 7a_100000032740_200000034859 [0,0,0,0,0,1|3,0,0]=4 56 B12R0.42 CC(=O)NCCNCC(C)C(=O)O 269956a_100000749485_100000189650 [0,0,0,0,0,1|3,0,0]=4 57 B12R0.42 CC(=O)NCCNCC(F)C(=O)O 269956a_100000084737_100000189650 [0,0,0,0,0,1|3,0,0]=4 58 B12R0.42 CC(CNCCCC(=O)N)C(=O)O 269956a_100000749485_100102525003 [0,0,0,0,0,1|3,0,0]=4 59 B12R0.42 CC(CNCCNC(=O)N)C(=O)O 269956a_100000749485_200000034859 [0,0,0,0,0,1|2,0,0]=3 60 B12R0.42 NC(=O)CCCNCC(F)C(=O)O 269956a_100000084737_100102525003 [0,0,0,0,0,1|3,0,0]=4 61 B12R0.42 NC(=O)CCCOC[C@H](N)C(=O)N 34a_100000729942_100102525003 [0,0,0,0,0,1|3,0,0]=4 62 B12R0.42 NC(=O)NCCNCC(F)C(=O)O 269956a_100000084737_200000034859 [0,0,0,0,0,1|2,0,0]=3 63 B12R0.42 NC(=O)OCCOC[C@H](N)C(=O)N 34a_100000729942_200011214921 [0,0,0,0,0,1|3,0,0]=4 64 B9R0.2 NC(=O)NCCNCC=O 34a_100020590234_200009817547 [2,0,0,0,0,0|2,0,0]=4 65 B9R0.2 NC(=O)NCCOCC=O 34a_100000181757_200009817547 [2,0,0,0,0,0|2,0,0]=4 66 B9R0.2 NC(=O)NCCSCC=O 62a_200000034859_200015260668 [2,0,0,0,0,0|2,0,0]=4 67 B9R0.2 NC(=O)NCCSCC=O 62a_200015260668_200000034859 [2,0,0,0,0,0|2,0,0]=4 68 B11R0.6 CN(CCNC(=O)N)CC(=O)O 269956a_100000746989_200000034859 [1,1,0,0,0,0|2,0,0]=4 69 B11R0.111 CNC(=O)NCCCCC(=O)N 273464a_100000696515_100102657272 [1,1,0,0,0,0|2,0,0]=4 70 B11R0.111 CNC(=O)NCCCCC(=O)N 273464a_100102657272_100000696515 [1,1,0,0,0,0|2,0,0]=4 71 B11R0.111 CNC(=O)NCCCCC(=O)N 512a_100000696515_100102657272 [1,1,0,0,0,0|2,0,0]=4 72 B11R0.111 CNC(=O)NCCCCC(=O)N 512a_106832991638_100000696515 [1,1,0,0,0,0|2,0,0]=4 73 B11R0.111 COC(=O)CCCCNC(=O)C 188690a_100000746077_100015343762 [1,1,0,0,0,0|2,0,0]=4 74 B11R0.111 COC(=O)CNCCNC(=O)N 34a_100020590234_100000747449 [1,1,0,0,0,0|2,0,0]=4 75 B11R0.111 COC(=O)COCCNC(=O)N 34a_100000181757_100000747449 [1,1,0,0,0,0|2,0,0]=4 76 B11R0.111 COC(=O)CSCCNC(=O)N 62a_100000747449_200000034859 [1,1,0,0,0,0|2,0,0]=4 77 B11R0.111 COC(=O)CSCCNC(=O)N 62a_200000034859_100000747449 [1,1,0,0,0,0|2,0,0]=4 78 B11R0.111 NC(=O)CCCCCC(=O)CO 1458a_100000210174_100009817443 [1,1,0,0,0,0|2,0,0]=4 79 B13R0.101 COC(=O)C(C)CNCCNC(=O)N 34a_100020590234_100000698445 [0,1,0,0,0,1|2,0,0]=4 80 B13R0.101 COC(=O)C(C)COCCNC(=O)N 34a_100000181757_100000698445 [0,1,0,0,0,1|2,0,0]=4 81 B13R0.101 COC(=O)C(C)COCCNC(=O)N 7a_100000749362_200000034859 [0,1,0,0,0,1|2,0,0]=4 82 B13R0.101 COC(=O)C(C)CSCCNC(=O)N 62a_100000698445_200000034859 [0,1,0,0,0,1|2,0,0]=4 83 B13R0.101 COC(=O)C(C)CSCCNC(=O)N 62a_200000034859_100000698445 [0,1,0,0,0,1|2,0,0]=4 84 B13R0.101 COC(=O)[C@H](N)COCCCC(=O)N 34a_100000003586_100102525003 [0,1,0,0,0,1|2,0,0]=4 85 B13R0.101 COC(=O)[C@H](N)COCCOC(=O)N 34a_100000003586_200011214921 [0,1,0,0,0,1|2,0,0]=4 86 B13R0.1406 CC(C)(CNCCNC(=O)N)C(=O)O 269956a_100000693527_200000034859 [0,1,0,0,0,1|2,0,0]=4 87 B13R0.1406 NC(=O)NCCNCC(F)(F)C(=O)O 269956a_100000734215_200000034859 [0,1,0,0,0,1|2,0,0]=4 88 B11R1.178 CC(=O)C1CCCN1C(=O)N 1458a_200000183025_200000210301 [1,0,0,1,0,0|2,0,0]=4 89 B11R1.178 [13CH3]C(=O)C1CCCN1C(=O)N 1458a_200000183025_200025704644 [1,0,0,1,0,0|2,0,0]=4 90 B13R1.1985 NC(=O)CN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_100000187820 [0,0,0,1,0,1|2,0,0]=4 91 B13R1.2025 C[C@]1(CCCN1CC(=O)N)C(=O)O 269956a_100009816582_100000187820 [0,0,0,1,0,1|2,0,0]=4 92 B11R0.30 CC(=O)CCOCCNC(=O)N 7a_100000759926_200000034859 [1,0,0,0,0,1|2,0,0]=4 93 B11R0.30 CC(=O)CCSCCNC(=O)N 62a_100000053229_200000034859 [1,0,0,0,0,1|2,0,0]=4 94 B11R0.30 CC(=O)CCSCCNC(=O)N 62a_200000034859_100000053229 [1,0,0,0,0,1|2,0,0]=4 95 B11R0.30 NC(=O)CCCCNCC(=O)N 34a_100000696515_100000187820 [1,0,0,0,0,1|2,0,0]=4 96 B11R0.30 NC(=O)CCNCCNC(=O)N 34a_100020590234_100000731001 [1,0,0,0,0,1|2,0,0]=4 97 B11R0.30 NC(=O)CCOCCNC(=O)N 34a_100000181757_100000731001 [1,0,0,0,0,1|2,0,0]=4 98 B11R0.30 NC(=O)CCOCCNC(=O)N 7a_100000757172_200000034859 [1,0,0,0,0,1|2,0,0]=4 99 B11R0.30 NC(=O)CCSCCNC(=O)N 62a_100000744528_200000034859 [1,0,0,0,0,1|2,0,0]=4 100 B11R0.30 NC(=O)CCSCCNC(=O)N 62a_200000034859_100000744528 [1,0,0,0,0,1|2,0,0]=4 101 B11R0.30 NC(=O)CNCCOCC(=O)O 269956a_100000700818_100000187820 [1,0,0,0,0,1|2,0,0]=4 102 B11R0.30 NC(=O)NCCNOCC(=O)O 269956a_100000106656_200000034859 [1,0,0,0,0,1|2,0,0]=4 103 B13R0.178 NC(=O)NCCNCC(O)CC(=O)O 269956a_100011218706_200000034859 [0,0,0,0,0,2|2,0,0]=4