0 B35R4.4036706040 CC1C2C(O)C3C(C(C)[C-](C(N)=O)C(=O)C3(O)C(O)=C2C(=O)c4c1cccc4O)N(C)C Amb22481290 [0,0,0,0,0,0|1,0,2]=3 1 B35R4.4036706040 CC1C2C(O)C3C(C(O)=C(C(N)=O)C(=O)C3(O)C(O)=C2C(=O)c4c1cccc4O)N(C)C Amb22167497 [0,0,0,0,0,0|0,0,0]=0 2 B35R4.4036706040 CN(C)C1C2C(O)C3C(C)c4cccc(O)c4C(=O)C3=C(O)C2(O)C(=O)C(=C1O)C(N)=O Amb20246733 [0,0,0,0,0,0|0,0,0]=0 3 B35R4.4036706040 CN(C)[C@@H]1C2C(O)C3C(=C)c4cccc(O)c4C(=O)C3=C(O)C2(O)C(=O)C(C(N)=O)=C1O Amb22800678 [0,0,0,0,0,0|0,0,2]=2 4 B35R4.4036706040 CN(C)[C@@H]1[C@H]2[C@H](O)[C@H]3C(=C)c4cccc(O)c4C(=O)C3=C(O)[C@@]2(O)C(=O)C(C(N)=O)=C1O Amb23438605 [0,0,0,0,0,0|0,0,2]=2 5 B35R4.4036706040 CN(C1C(=C(C(=O)N)C(=O)C2(C1C(O)C3C(=C)c4cccc(c4C(=O)C3=C2O)O)O)O)C Amb17616867 [0,0,0,0,0,0|0,0,2]=2 6 B35R4.4036706040 CN(C1C(=C(C(=O)N)C(=O)C2(C1C(O)C3C(=C)c4cccc(c4C(=O)C3=C2O)O)O)O)C Amb1865570 [0,0,0,0,0,0|0,0,2]=2 7 B35R4.4036706040 CN(C1C(=C(C(=O)N)C(=O)C2(C1C(O)C3C(C)c4cccc(c4C(=O)C3=C2O)O)O)O)C Amb1865491 [0,0,0,0,0,0|0,0,0]=0 8 B35R4.4036706040 CN(C1C(=O)C(C(=O)N)C(=O)C2(C1C(O)C3C(C)c4cccc(c4C(=C3C2=O)O)O)O)C Amb10609426 [0,0,0,0,0,0|0,0,4]=4 9 B35R4.4036706040 CN([C@H]1C(=C(C(=O)N)C(=O)[C@@]2([C@H]1[C@@H](O)[C@@H]3[C@@H](C)c4cccc(c4C(=O)C3=C2O)O)O)O)C Amb17613686 [0,0,0,0,0,0|0,0,0]=0 10 B35R4.4036706040 C[C@@H]1[C@@H]2[C@@H](O)[C@@H]3[C@H](C(O)=C(C(N)=O)C(=O)[C@]3(O)C(O)=C2C(=O)c4c1cccc4O)N(C)C Amb19132104 [0,0,0,0,0,0|0,0,0]=0 11 B34R4.4586761050 CC1C2C(O)C3C(C(=O)C(C(N)=O)=C(O)C3N(C)C)C(O)=C2C(=O)c4c1cccc4O Amb19835152 [1,0,0,0,0,0|0,0,0]=1 12 B34R4.5636042800 CN(C)C1C2CC3C(O)c4cccc(O)c4C(=O)C3=C(O)C2(O)C(=O)C(C(N)=O)=C1O Amb22733323 [1,0,0,0,0,0|1,0,0]=2 13 B36R4.17163545943 CN(C1C(=C(C(=O)N)C(=O)C2(C1C(O)C3C(=C2O)C(=O)c4c(C3(C)O)cccc4O)O)O)C Amb1865524 [0,1,0,0,0,0|0,0,0]=1 14 B36R4.17163545943 CN([C@@H]1C(=C(C(=O)N)C(=O)[C@@]2(C1[C@@H](O)C3C(=C2O)C(=O)c4c([C@@]3(C)O)cccc4O)O)O)C Amb10609720 [0,1,0,0,0,0|0,0,0]=1 15 B36R4.17163545943 C[C@@]1(O)C2C(O)C3C(C(O)=C(C(N)=O)C(=O)C3(O)C(=O)C2=C(O)c4c1cccc4O)N(C)C Amb23566753 [0,1,0,0,0,0|0,0,2]=3 16 B36R4.17163545943 C[C@@]1(O)C2[C@@H](O)C3[C@H](C(O)=C(C(N)=O)C(=O)[C@]3(O)C(O)=C2C(=O)c4c1cccc4O)N(C)C Amb19295777 [0,1,0,0,0,0|0,0,0]=1 17 B36R4.17163545943 C[C@@]1(O)[C@@H]2[C@@H](O)[C@@H]3[C@@H](C(C)C)C(O)=C(C(N)=O)C(=O)[C@]3(O)C(O)=C2C(=O)c4c1cccc4O Amb19133566 [0,1,0,0,0,0|1,0,0]=2 18 B36R4.17163545943 C[C@@]1(O)[C@@H]2[C@@H](O)[C@@H]3[C@@H](C(O)=C(C(N)=O)C(=O)[C@]3(O)C(O)=C2C(=O)c4c1cccc4O)N(C)C Amb19133569 [0,1,0,0,0,0|0,0,0]=1 19 B36R4.17163545943 C[C@@]1(O)[C@@H]2[C@@H](O)[C@@H]3[C@H](C(O)=C(C(N)=O)C(=O)[C@]3(O)C(=O)C2=C(O)c4c1cccc4O)N(C)C Amb22801188 [0,1,0,0,0,0|0,0,2]=3 20 B36R4.17163545943 C[C@@]1(O)[C@@H]2[C@@H](O)[C@@H]3[C@H](C(O)=C(C(N)=O)C(=O)[C@]3(O)C(O)=C2C(=O)c4c1cccc4O)N(C)C Amb19133567 [0,1,0,0,0,0|0,0,0]=1 21 B36R4.17163545943 C[C@@]1(O)[C@@H]2[C@@H](O)[C@@H]3[C@H](C(O)=C(C(N)=O)C(=O)[C@]3(O)C(O)=C2C(=O)c4c1cccc4O)N(C)C Amb22799872 [0,1,0,0,0,0|0,0,0]=1 22 B36R4.17163545943 C[C@@]1(O)[C@@H]2[C@@H](O)[C@@H]3[C@H](C(O)=C(C(N)=O)C(=O)[C@]3(O)C(O)=C2C(=O)c4c1cccc4O)N(C)C Amb22800134 [0,1,0,0,0,0|0,0,0]=1 23 B36R4.17163545943 C[C@]1(O)C2[C@H](O)C3[C@@H](C(O)=C(C(N)=O)C(=O)[C@@]3(O)C(O)=C2C(=O)c4c1cccc4O)N(C)C Amb22353167 [0,1,0,0,0,0|0,0,0]=1 24 B36R4.17179120834 CN(C)C1C2C(O)C3C(=C)c4c(C(=O)C3=C(O)C2(O)C(=O)C(C(N)=O)=C1O)c(O)ccc4Cl Amb22730459 [0,1,0,0,0,0|0,0,2]=3 25 B36R4.17179120834 CN(C)[C@@H]1[C@H]2[C@H](O)[C@H]3C(=C)c4c(C(=O)C3=C(O)[C@@]2(O)C(=O)C(C(N)=O)=C1O)c(O)ccc4Cl Amb23438578 [0,1,0,0,0,0|0,0,2]=3 26 B36R4.17179120834 C[NH+](C)[C@@H]1[C@H]2[C@H](O)[C@H]3C(=C)c4c(C(=O)C3=C(O)[C@@]2(O)C(=O)C(C(N)=O)=C1O)c(O)ccc4Cl Amb23438602 [0,1,0,0,0,0|0,0,3]=4 27 B33R4.2736870973 CN(C)C1C2CC3Cc4cccc(O)c4C(=O)C3=C(O)C2(O)C(=O)C(C(N)=O)=C1O Amb22442616 [2,0,0,0,0,0|0,0,0]=2 28 B33R4.2736870973 CN(C)[C@@H]1[C@H]2C[C@H]3Cc4cccc(O)c4C(=O)C3=C(O)[C@@]2(O)C(=O)C(C(N)=O)=C1O Amb22748866 [2,0,0,0,0,0|0,0,0]=2 29 B33R4.2736870973 CN(C1C(=C(C(=O)N)C(=O)C2(C1CC3Cc4cccc(c4C(=O)C3=C2O)O)O)O)C Amb17620028 [2,0,0,0,0,0|0,0,0]=2 30 B33R4.2736870973 CN([C@H]1C(=C(C(=O)N)C(=O)C2(C1CC3Cc4cccc(c4C(=O)C3=C2O)O)O)O)C Amb17620030 [2,0,0,0,0,0|0,0,0]=2 31 B33R4.2736870973 C[NH+](C)[C@@H]1[C@H]2C[C@H]3Cc4cccc(O)c4C(=O)C3=C(O)[C@@]2(O)C(=O)C(C(N)=O)=C1O Amb23438705 [2,0,0,0,0,0|0,0,1]=3 32 B35R4.4036704371 CN(C1C(=C(C(=O)N)C(=O)C2(C1CC3C(=C2O)C(=O)c4c(C3(C)O)cccc4O)O)O)C Amb1865490 [1,1,0,0,0,0|0,0,0]=2 33 B35R4.4036704371 CN([C@H]1C(=C(C(=O)N)C(=O)[C@]2([C@H]1C[C@@H]3C(=C2O)C(=O)c4c([C@]3(C)O)cccc4O)O)O)C Amb10072550 [1,1,0,0,0,0|0,0,0]=2 34 B35R4.4036704371 C[C@@]1(O)C2CC3[C@H](C(O)=C(C(N)=O)C(=O)[C@]3(O)C(O)=C2C(=O)c4c1cccc4O)N(C)C Amb22801165 [1,1,0,0,0,0|0,0,0]=2 35 B35R4.4036704371 C[C@@]1(O)C2C[C@@H]3[C@H](C(O)=C(C(N)=O)C(=O)[C@]3(O)C(O)=C2C(=O)c4c1cccc4O)N(C)C Amb22800221 [1,1,0,0,0,0|0,0,0]=2 36 B35R4.4036704371 C[C@@]1(O)[C@@H]2C[C@@H]3[C@@H](C(O)=C(C(N)=O)C(=O)[C@]3(O)C(O)=C2C(=O)c4c1cccc4O)N(C)C Amb19134008 [1,1,0,0,0,0|0,0,0]=2 37 B35R4.4036704371 C[C@@]1(O)[C@@H]2C[C@@H]3[C@@H](C(O)=C(C(N)=O)C(=O)[C@]3(O)C(O)=C2C(=O)c4c1cccc4O)N(C)C Amb23438512 [1,1,0,0,0,0|0,0,0]=2 38 B35R4.4036704371 C[C@@]1(O)[C@@H]2C[C@@H]3[C@H](C(O)=C(C(N)=O)C(=O)[C@]3(O)C(O)=C2C(=O)c4c1cccc4O)N(C)C Amb19134006 [1,1,0,0,0,0|0,0,0]=2 39 B35R4.4036704371 C[C@@]1(O)[C@@H]2C[C@@H]3[C@H](C(O)=C(C(N)=O)C(=O)[C@]3(O)C(O)=C2C(=O)c4c1cccc4O)N(C)C Amb24288677 [1,1,0,0,0,0|0,0,0]=2 40 B35R4.4036704371 C[C@]1(O)C2C[C@H]3[C@@H](C(O)=C(C(N)=O)C(=O)[C@@]3(O)C(O)=C2C(=O)c4c1cccc4O)N(C)C Amb22367060 [1,1,0,0,0,0|0,0,0]=2 41 B35R4.4036704371 [C@@H]12C[C@H]3C(C(=O)c4c(O)cccc4[C@]3(C)O)=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@H]2N(C)C Amb17942900 [1,1,0,0,0,0|0,0,0]=2 42 B35R4.4169488132 CN(C)C1C2CC3C(O)c4c(Cl)ccc(O)c4C(=O)C3=C(O)C2(O)C(=O)C(C(N)=O)=C1O Amb17942836 [1,1,0,0,0,0|1,0,0]=3 43 B35R4.4169488132 CN(C)C1C2CC3[C@@H](O)c4c(Cl)ccc(O)c4C(=O)C3=C(O)C2(O)C(=O)C(C(N)=O)=C1O Amb19131475 [1,1,0,0,0,0|1,0,0]=3 44 B35R4.4169488132 CN(C)[C@@H]1[C@H]2C[C@H]3[C@@H](O)c4c(Cl)ccc(O)c4C(=O)C3=C(O)[C@@]2(O)C(=O)C(C(N)=O)=C1O Amb22746128 [1,1,0,0,0,0|1,0,0]=3 45 B35R4.4169488132 CN(C)[C@@H]1[C@H]2C[C@H]3[C@@H](O)c4c(Cl)ccc(O)c4C(=O)C3=C(O)[C@@]2(O)C(=O)C(C(N)=O)=C1O Amb22799667 [1,1,0,0,0,0|1,0,0]=3 46 B35R4.4169488132 CN(C1C(=C(C(=O)N)C(=O)C2(C1CC3C(=C2O)C(=O)c4c(C3O)c(Cl)ccc4O)O)O)C Amb1865577 [1,1,0,0,0,0|1,0,0]=3 47 B35R4.4169488132 CN([C@H]1C(=C(C(=O)N)C(=O)C2(C1CC3C(=C2O)C(=O)c4c([C@H]3O)c(Cl)ccc4O)O)O)C Amb17611742 [1,1,0,0,0,0|1,0,0]=3