0 B29R3.8855057841 CC(C)N[C@@H](C(=O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)c3ccccc3 269956a_100000040846_100000210206 [0,0,1,0,0,0|0,0,0]=1 1 B28R3.862765617 CC1(S[C@@H]2[C@@H](C(=O)N2[C@H]1C(=O)O)NC(=O)[C@H](NCF)c3ccccc3)C 269956a_100000040846_100015361967 [1,0,1,0,0,0|1,0,0]=3 2 B28R3.862765617 CCN[C@@H](C(=O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)c3ccccc3 269956a_100000040846_100000210202 [1,0,1,0,0,0|0,0,0]=2 3 B30R3.9675436594 CC(C)(C)N[C@@H](C(=O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)c3ccccc3 269956a_100000040846_100000211941 [0,1,1,0,0,0|0,0,0]=2 4 B30R3.9675436594 CC1(S[C@@H]2[C@@H](C(=O)N2[C@H]1C(=O)O)NC(=O)[C@H](NC(F)(F)F)c3ccccc3)C 269956a_100000040846_200000243211 [0,1,1,0,0,0|2,0,0]=4 5 B30R3.12449648304 C#CC(C)N[C@@H](C(=O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)c3ccccc3 269956a_100000040846_200000035995 [0,1,1,0,0,0|0,0,1]=3 6 B30R3.12449648304 C=CC(C)N[C@@H](C(=O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)c3ccccc3 269956a_100000040846_100011215867 [0,1,1,0,0,0|0,0,1]=3 7 B30R3.12449648304 CC(C#N)N[C@@H](C(=O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)c3ccccc3 269956a_100000040846_100000184139 [0,1,1,0,0,0|0,0,1]=3 8 B30R3.12449648304 CCC(C)N[C@@H](C(=O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)c3ccccc3 269956a_100000040846_100000758301 [0,1,1,0,0,0|0,0,0]=2 9 B30R3.12449648304 COC(C)N[C@@H](C(=O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)c3ccccc3 269956a_100000040846_100009879195 [0,1,1,0,0,0|0,0,0]=2 10 B30R3.12449648304 C[C@H](CO)N[C@@H](C(=O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)c3ccccc3 269956a_100000040846_100016084084 [0,1,1,0,0,0|0,0,0]=2 11 B30R4.3219882858 CC1(S[C@@H]2[C@@H](C(=O)N2[C@H]1C(=O)O)NC(=O)[C@H](NC3CC3)c4ccccc4)C 269956a_100000040846_100000211595 [0,0,1,1,0,0|0,0,0]=2 12 B30R3.9675436593 C=C(C)CN[C@@H](C(=O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)c3ccccc3 269956a_100000040846_100000748629 [0,0,1,0,0,1|0,0,2]=4 13 B30R3.9675436593 CC(C)CN[C@@H](C(=O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)c3ccccc3 269956a_100000040846_100000210760 [0,0,1,0,0,1|0,0,0]=2 14 B30R3.9675436593 CC(O)CN[C@@H](C(=O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)c3ccccc3 269956a_100000040846_100011218427 [0,0,1,0,0,1|1,0,0]=3 15 B30R3.9675436593 CC1(S[C@@H]2[C@@H](C(=O)N2[C@H]1C(=O)O)NC(=O)[C@H](NCC(F)F)c3ccccc3)C 269956a_100000040846_100011934356 [0,0,1,0,0,1|2,0,0]=4 16 B30R3.9675436593 C[C@@H](O)CN[C@@H](C(=O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)c3ccccc3 269956a_100000040846_100009817552 [0,0,1,0,0,1|1,0,0]=3 17 B27R3.1233615266 CC1(S[C@@H]2[C@@H](C(=O)N2[C@H]1C(=O)O)NC(=O)[C@H](N[13CH3])c3ccccc3)C 269956a_100000040846_200025704644 [2,0,1,0,0,0|0,0,0]=3 18 B27R3.1233615266 CN[C@@H](C(=O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)c3ccccc3 269956a_100000040846_200000210301 [2,0,1,0,0,0|0,0,0]=3 19 B29R3.3319733716 C#CCN[C@@H](C(=O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)c3ccccc3 269956a_100000040846_100000184674 [1,1,1,0,0,0|0,0,1]=4 20 B29R3.3319733716 C=CCN[C@@H](C(=O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)c3ccccc3 269956a_100000040846_100000210623 [1,1,1,0,0,0|0,0,1]=4 21 B29R3.3319733716 CC1(S[C@@H]2[C@@H](C(=O)N2[C@H]1C(=O)O)NC(=O)[C@H](NCC#N)c3ccccc3)C 269956a_100000040846_100011215382 [1,1,1,0,0,0|0,0,1]=4 22 B29R3.3319733716 CC1(S[C@@H]2[C@@H](C(=O)N2[C@H]1C(=O)O)NC(=O)[C@H](NCC=O)c3ccccc3)C 269956a_100000040846_200015260668 [1,1,1,0,0,0|0,0,1]=4 23 B29R3.3319733716 CC1(S[C@@H]2[C@@H](C(=O)N2[C@H]1C(=O)O)NC(=O)[C@H](NCCF)c3ccccc3)C 269956a_100000040846_100011217306 [1,1,1,0,0,0|0,0,0]=3 24 B29R3.3319733716 CC1(S[C@@H]2[C@@H](C(=O)N2[C@H]1C(=O)O)NC(=O)[C@H](NCCO)c3ccccc3)C 269956a_100000040846_100000211926 [1,1,1,0,0,0|0,0,0]=3 25 B29R3.3319733716 CCCN[C@@H](C(=O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)c3ccccc3 269956a_100000040846_100000210207 [1,1,1,0,0,0|0,0,0]=3 26 B29R3.3319733716 COCN[C@@H](C(=O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)c3ccccc3 269956a_100000040846_100000766300 [1,1,1,0,0,0|0,0,0]=3 27 B29R3.3319733716 CSCN[C@@H](C(=O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)c3ccccc3 269956a_100000040846_100011218213 [1,1,1,0,0,0|0,0,0]=3 28 B31R3.6525162667 CC(C)(C)CN[C@@H](C(=O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)c3ccccc3 269956a_100000040846_100011219605 [0,1,1,0,0,1|0,0,0]=3 29 B31R3.6525162667 CC(C)(F)CN[C@@H](C(=O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)c3ccccc3 269956a_100000040846_100011997219 [0,1,1,0,0,1|0,0,0]=3 30 B31R3.6525162667 CC(C)(O)CN[C@@H](C(=O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)c3ccccc3 269956a_100000040846_100000764493 [0,1,1,0,0,1|0,0,0]=3 31 B31R3.6525162667 CC1(S[C@@H]2[C@@H](C(=O)N2[C@H]1C(=O)O)NC(=O)[C@H](NC[N+](C)(C)C)c3ccccc3)C 269956a_100000040846_200000036245 [0,1,1,0,0,1|1,0,0]=4 32 B31R3.6525162667 CC1(S[C@@H]2[C@@H](C(=O)N2[C@H]1C(=O)O)NC(=O)[C@H](NC[Si](C)(C)C)c3ccccc3)C 269956a_100000040846_100000037933 [0,1,1,0,0,1|0,1,0]=4 33 B31R3.8163430668 CC1(S[C@@H]2[C@@H](C(=O)N2[C@H]1C(=O)O)NC(=O)[C@H](NCC(O)CO)c3ccccc3)C 269956a_100000040846_100011219619 [0,1,1,0,0,1|1,0,0]=4 34 B31R3.8163430668 CC1(S[C@@H]2[C@@H](C(=O)N2[C@H]1C(=O)O)NC(=O)[C@H](NC[C@@H](O)CF)c3ccccc3)C 269956a_100000040846_100015614560 [0,1,1,0,0,1|1,0,0]=4 35 B31R3.8163430668 CC1(S[C@@H]2[C@@H](C(=O)N2[C@H]1C(=O)O)NC(=O)[C@H](NC[C@@H](O)CO)c3ccccc3)C 269956a_100000040846_100009815848 [0,1,1,0,0,1|1,0,0]=4 36 B31R3.8163430668 CCC(C)CN[C@@H](C(=O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)c3ccccc3 269956a_100000040846_100000748023 [0,1,1,0,0,1|0,0,0]=3 37 B31R3.8163430668 CCC(O)CN[C@@H](C(=O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)c3ccccc3 269956a_100000040846_100011218378 [0,1,1,0,0,1|1,0,0]=4 38 B31R3.8163430668 CC[C@H](C)CN[C@@H](C(=O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)c3ccccc3 269956a_100000040846_100009816398 [0,1,1,0,0,1|0,0,0]=3 39 B31R3.8163430668 C[C@@H](CO)CN[C@@H](C(=O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)c3ccccc3 269956a_100000040846_100000059175 [0,1,1,0,0,1|0,0,0]=3 40 B31R3.6835949920 C#CC(C)(C)N[C@@H](C(=O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)c3ccccc3 269956a_100000040846_100000038118 [0,2,1,0,0,0|0,0,0]=3 41 B31R3.6835949920 CC1(S[C@@H]2[C@@H](C(=O)N2[C@H]1C(=O)O)NC(=O)[C@H](NC(F)(F)CO)c3ccccc3)C 269956a_100000040846_100011217949 [0,2,1,0,0,0|1,0,0]=4 42 B31R3.6835949920 CCC(C)(C)N[C@@H](C(=O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)c3ccccc3 269956a_100000040846_100000032637 [0,2,1,0,0,0|0,0,0]=3 43 B31R3.6988156235 CCC(CC)N[C@@H](C(=O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)c3ccccc3 269956a_100000040846_100000210505 [0,2,1,0,0,0|0,0,0]=3 44 B31R3.7680752250 CC(CC#N)N[C@@H](C(=O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)c3ccccc3 269956a_100000040846_100009813641 [0,2,1,0,0,0|0,0,0]=3 45 B31R3.7680752250 CC(CCO)N[C@@H](C(=O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)c3ccccc3 269956a_100000040846_100009893172 [0,2,1,0,0,0|0,0,0]=3 46 B31R3.7680752250 CCCC(C)N[C@@H](C(=O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)c3ccccc3 269956a_100000040846_100000766640 [0,2,1,0,0,0|0,0,0]=3 47 B31R3.7680752250 COCC(C)N[C@@H](C(=O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)c3ccccc3 269956a_100000040846_100000765312 [0,2,1,0,0,0|0,0,0]=3 48 B31R4.2406237951 CC1(S[C@@H]2[C@@H](C(=O)N2[C@H]1C(=O)O)NC(=O)[C@H](NCC3CC3)c4ccccc4)C 269956a_100000040846_100000742324 [0,0,1,1,0,1|0,0,0]=3 49 B31R4.2406237951 CC1(S[C@@H]2[C@@H](C(=O)N2[C@H]1C(=O)O)NC(=O)[C@H](NCC3CO3)c4ccccc4)C 269956a_100000040846_102125554688 [0,0,1,1,0,1|1,0,0]=4 50 B31R4.2406237951 CC1(S[C@@H]2[C@@H](C(=O)N2[C@H]1C(=O)O)NC(=O)[C@H](NCC3CS3)c4ccccc4)C 269956a_100000040846_100000031435 [0,0,1,1,0,1|1,0,0]=4 51 B31R4.2406237951 CC1(S[C@@H]2[C@@H](C(=O)N2[C@H]1C(=O)O)NC(=O)[C@H](NC[C@@H]3CO3)c4ccccc4)C 269956a_100000040846_100000745022 [0,0,1,1,0,1|1,0,0]=4 52 B31R4.2406237950 CC1(S[C@@H]2[C@@H](C(=O)N2[C@H]1C(=O)O)NC(=O)[C@H](NC3CCC3)c4ccccc4)C 269956a_100000040846_100000749161 [0,1,1,1,0,0|0,0,0]=3 53 B31R4.2406237950 CC1(S[C@@H]2[C@@H](C(=O)N2[C@H]1C(=O)O)NC(=O)[C@H](NC3COC3)c4ccccc4)C 269956a_100000040846_100009818527 [0,1,1,1,0,0|0,0,0]=3 54 B31R3.6525162666 CC(=CCN[C@@H](C(=O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)c3ccccc3)C 269956a_100000040846_100000761012 [0,0,1,0,0,2|0,0,1]=4 55 B31R3.6525162666 CC(C)CCN[C@@H](C(=O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)c3ccccc3 269956a_100000040846_100000210312 [0,0,1,0,0,2|0,0,0]=3 56 B31R3.6525162666 CC(C)OCN[C@@H](C(=O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)c3ccccc3 269956a_100000040846_100000709892 [0,0,1,0,0,2|0,0,0]=3 57 B31R3.6525162666 CC(O)CCN[C@@H](C(=O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)c3ccccc3 269956a_100000040846_100012276601 [0,0,1,0,0,2|1,0,0]=4 58 B31R3.6525162666 CN(C)CCN[C@@H](C(=O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)c3ccccc3 269956a_100000040846_100000755713 [0,0,1,0,0,2|1,0,0]=4