0  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 [0,0,0,0,0,0|2,0,1]=3
1  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 [0,0,0,0,0,0|2,0,1]=3
2  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 [1,0,0,0,0,0|1,0,1]=3
3  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 [1,0,0,0,0,0|1,0,1]=3
4  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 [0,1,0,0,0,0|2,0,1]=4
5  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 [0,1,0,0,0,0|2,0,1]=4
6  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 [0,1,0,0,0,0|1,0,2]=4
7  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 [0,1,0,0,0,0|2,0,1]=4
8  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 [0,1,0,0,0,0|2,0,1]=4
9  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 [0,1,0,0,0,0|2,0,1]=4
10  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 [0,1,0,0,0,0|2,0,1]=4
11  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 [0,1,0,0,0,0|2,0,1]=4
12  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 [0,1,0,0,0,0|2,0,1]=4
13  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 [0,1,0,0,0,0|2,0,1]=4