0 B40R5.3973978471 CC(=O)C1(CC2=C(C(=C3C(=O)C4=C(C=CC=C4)C(=O)C3=C2O)O)C(C1)OC5CC(C(C(O5)C)O)N)O MCULE-4452905608 [0,0,0,0,0,0|0,0,0]=0 1 B40R5.3973978471 CC(=O)C1(CC2=C(C(=C3C(=O)C4=C(C=CC=C4)C(=O)C3=C2O)O)C(C1)OC5CC(C(C(O5)C)O)N)O MCULE-6347433254 [0,0,0,0,0,0|0,0,0]=0 2 B40R5.3973978471 CC(=O)[C@@]1(CC2=C(C(=C3C(=O)C4=C(C=CC=C4)C(=O)C3=C2O)O)[C@H](C1)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)N)O MCULE-1025464251 [0,0,0,0,0,0|0,0,0]=0 3 B40R5.3973978471 CC(=O)[C@@]1(CC2=C(C(=C3C(=O)C4=C(C=CC=C4)C(=O)C3=C2O)O)[C@H](C1)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)N)O MCULE-5557674101 [0,0,0,0,0,0|0,0,0]=0 4 B40R5.3973978471 CC(=O)[C@@]1(CC2=C(C(=C3C(=O)C4=C(C=CC=C4)C(=O)C3=C2O)O)[C@H](C1)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)N)O MCULE-6875190074 [0,0,0,0,0,0|0,0,0]=0 5 B40R5.3973978471 CC(=O)[C@@]1(CC2=C(C(=C3C(=O)C4=C(C=CC=C4)C(=O)C3=C2O)O)[C@H](C1)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)N)O MCULE-7724923243 [0,0,0,0,0,0|0,0,0]=0 6 B40R5.3973978471 [C@@H]1(C[C@](CC2=C1C(=C3C(=O)C4=C(C=CC=C4)C(=O)C3=C2O)O)(O)C(=O)C)OC5CC(C(C(O5)C)O)N MCULE-2011181732 [0,0,0,0,0,0|0,0,0]=0 7 B40R5.3973978471 [C@@H]1(C[C@](CC2=C1C(=C3C(=O)C4=C(C=CC=C4)C(=O)C3=C2O)O)(O)C(=O)C)OC5CC(C(C(O5)C)O)N MCULE-5234902733 [0,0,0,0,0,0|0,0,0]=0 8 B40R5.3973978471 [C@@H]1(C[C@](CC2=C1C(=C3C(=O)C4=C(C=CC=C4)C(=O)C3=C2O)O)(O)C(=O)C)OC5C[C@@H]([C@@H]([C@@H](O5)C)O)N MCULE-6975270745 [0,0,0,0,0,0|0,0,0]=0 9 B39R5.1367371488 CC(=O)C1(CC2=C(C3=C(C(=O)C4=CC=CC=C4C3=O)C(=C2C(C1)OC5CC(C(CO5)O)O)O)O)N MCULE-1408047632 [1,0,0,0,0,0|2,0,0]=3 10 B39R5.1367371488 CC(=O)[C@@]1(CC2=C(C3=C(C(=O)C4=C(C3=O)C=CC=C4)C(=C2[C@H](C1)O[C@H]5C[C@@H]([C@@H](CO5)O)O)O)O)N MCULE-5412165893 [1,0,0,0,0,0|2,0,0]=3 11 B39R5.1367371488 CC(=O)[C@@]1(CC2=C(C3=C(C(=O)C4=CC=CC=C4C3=O)C(=C2C(C1)O[C@H]5C[C@H]([C@@H](CO5)O)O)O)O)N MCULE-9840068458 [1,0,0,0,0,0|2,0,0]=3 12 B41R5.4051685539 CC(=O)[C@@]1(CC2=C(C(=C3C(=O)C4=C(C=CC=C4O)C(=O)C3=C2O)O)[C@H](C1)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)N)O MCULE-8276015167 [0,1,0,0,0,0|0,0,0]=1 13 B41R5.4051685539 CC(=O)[C@@]1(CC2=C(C(=C3C(=O)C4=C(C=CC=C4O)C(=O)C3=C2O)O)[C@H](C1)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)N)O MCULE-8800393893 [0,1,0,0,0,0|0,0,0]=1 14 B41R5.4051685539 C[C@@H]1O[C@@H](C[C@@H]([C@H]1O)N)O[C@H]2C[C@](CC3=C(C4=C(C(=O)C5=C(C=CC=C5C4=O)O)C(=C23)O)O)(O)[C@@H](C)O MCULE-8653859423 [0,1,0,0,0,0|0,0,2]=3 15 B41R5.4051685539 [C@@H]1(C[C@](CC2=C(C3=C(C(=O)C4=C(C3=O)C=CC=C4O)C(=C21)O)O)(O)C(=O)C)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)N MCULE-8337547015 [0,1,0,0,0,0|0,0,0]=1 16 B41R5.4051685539 [C@@H]1(C[C@](CC2=C(C3=C(C(=O)C4=C(C3=O)C=CC=C4O)C(=C21)O)O)(O)C(=O)C)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)[NH3+] MCULE-5417656404 [0,1,0,0,0,0|0,0,1]=2 17 B40R5.1919124223 CC[C@@]1(CC2=C(C3=C(C(=O)C4=C(C=CC=C4C3=O)O)C(=C2[C@H](C1)OC5C[C@@H]([C@@H]([C@@H](O5)C)O)N)O)O)O MCULE-3762415954 [1,1,0,0,0,0|0,0,1]=3 18 B42R5.4604717159 C[C@@H]1O[C@H]([C@@H]([C@@H]([C@H]1O)O)I)O[C@H]2C[C@](CC3=C2C(=C4C(=O)C5=CC=CC=C5C(=O)C4=C3O)O)(O)C(=O)CO MCULE-6312140691 [0,2,0,0,0,0|1,0,0]=3 19 B42R5.3788790558 COC1=C2C(=N)C3=C(C4=C(C[C@@](C[C@@H]4O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)N)(O)C(=O)C)C(=C3C(=O)C2=CC=C1)O)O MCULE-6225865376 [0,2,0,0,0,0|1,0,0]=3 20 B42R5.3788790558 COC1=C2C(=N)C3=C(C4=C(C[C@@](C[C@@H]4O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)N)(O)C(=O)C)C(=C3C(=O)C2=CC=C1)O)O MCULE-6601869355 [0,2,0,0,0,0|1,0,0]=3 21 B42R5.3788790558 COC1=C2C(=O)C3=C(C(=O)C2=CC=C1)C(=C4C[C@@](C[C@@H](C4=C3O)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)N)(O)C(=O)C)O MCULE-4647442588 [0,2,0,0,0,0|0,0,0]=2 22 B42R5.3788790558 COC1=C2C(=O)C3=C(C(=O)C2=CC=C1)C(=C4C[C@@](C[C@@H](C4=C3O)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)N)(O)C(=O)C)O MCULE-8131827540 [0,2,0,0,0,0|0,0,0]=2 23 B42R5.3788790558 COC1=CC=CC2=C1C(=N)C3=C(C2=O)C(=C4C[C@@](C[C@@H](C4=C3O)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)N)(O)C(=O)C)O MCULE-1290716405 [0,2,0,0,0,0|1,0,0]=3 24 B42R5.3788790558 COC1=CC=CC2=C1C(=N)C3=C(C2=O)C(=C4C[C@@](C[C@@H](C4=C3O)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)N)(O)C(=O)C)O MCULE-3636286035 [0,2,0,0,0,0|1,0,0]=3 25 B42R5.3788790558 COC1=CC=CC2=C1C(=O)C3=C(C2=O)C(=C4CC(CC(C4=C3O)OC5CC(C(C(O5)C)O)N)(O)C(=O)C)O MCULE-3063562492 [0,2,0,0,0,0|0,0,0]=2 26 B42R5.3788790558 COC1=CC=CC2=C1C(=O)C3=C(C2=O)C(=C4CC(CC(C4=C3O)OC5CC(C(C(O5)C)O)N)(O)C(=O)C)O MCULE-6546034726 [0,2,0,0,0,0|0,0,0]=2 27 B42R5.3788790558 COC1=CC=CC2=C1C(=O)C3=C(C2=O)C(=C4CC(CC(C4=C3O)OC5CC(C(C(O5)C)O)N)(O)C(C)O)O MCULE-8589358170 [0,2,0,0,0,0|0,0,2]=4 28 B42R5.3788790558 COC1=CC=CC2=C1C(=O)C3=C(C2=O)C(=C4CC(CC(C4=C3O)OC5CC(C(C(O5)C)O)N)(O)C(C)O)O MCULE-9644221563 [0,2,0,0,0,0|0,0,2]=4 29 B42R5.3788790558 COC1=CC=CC2=C1C(=O)C3=C(C4=C(C[C@@](C[C@@H]4OC5CC(C(C(O5)C)O)N)(O)C(=O)C)C(=C3C2=O)O)O MCULE-4037395984 [0,2,0,0,0,0|0,0,0]=2 30 B42R5.3788790558 COC1=CC=CC2=C1C(=O)C3=C(C4=C(C[C@@](C[C@@H]4OC5CC(C(C(O5)C)O)N)(O)C(=O)C)C(=C3C2=O)O)O MCULE-5945204869 [0,2,0,0,0,0|0,0,0]=2 31 B42R5.3788790558 COC1=CC=CC2=C1C(=O)C3=C(C4=C(C[C@@](C[C@@H]4O[C@@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)N)(O)C(=O)C)C(=C3C2=O)O)O MCULE-2678265367 [0,2,0,0,0,0|0,0,0]=2 32 B42R5.3788790558 COC1=CC=CC2=C1C(=O)C3=C(C4=C(C[C@@](C[C@@H]4O[C@@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)N)(O)C(=O)C)C(=C3C2=O)O)O MCULE-3431068342 [0,2,0,0,0,0|0,0,0]=2 33 B42R5.3788790558 COC1=CC=CC2=C1C(=O)C3=C(C4=C(C[C@@](C[C@@H]4O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)N)(O)C(=O)C)C(=C3C2=O)O)O MCULE-3358052109 [0,2,0,0,0,0|0,0,0]=2 34 B42R5.3788790558 COC1=CC=CC2=C1C(=O)C3=C(C4=C(C[C@@](C[C@@H]4O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)N)(O)C(=O)C)C(=C3C2=O)O)O MCULE-4249081776 [0,2,0,0,0,0|0,0,0]=2 35 B42R5.3788790558 COC1=CC=CC2=C1C(=O)C3=C(C4=C(C[C@@](C[C@@H]4O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)N)(O)[C@H](C)O)C(=C3C2=O)O)O MCULE-4585053328 [0,2,0,0,0,0|0,0,2]=4 36 B42R5.3788790558 COC1=CC=CC2=C1C(=O)C3=C(C4=C(C[C@](C[C@H]4O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)N)(O)C(=O)C)C(=C3C2=O)O)O MCULE-2900704652 [0,2,0,0,0,0|0,0,0]=2