0 B25R2.511144961 NC(CC1=CC(=C(C(=C1)I)OC2=CC(=C(C(=C2)I)O)I)I)C(=O)O MCULE-5870225988 [0,0,0,0,0,0|0,0,0]=0 1 B25R2.511144961 NC(CC1=CC(=C(C(=C1)I)OC2=CC(=C(C(=C2)I)O)I)I)C(=O)[O-] MCULE-4039377986 [0,0,0,0,0,0|0,0,1]=1 2 B25R2.511144961 N[C@@H](CC1=CC(=C(C(=C1)I)OC2=CC(=C(C(=C2)I)O)I)I)C(=O)O MCULE-8611691549 [0,0,0,0,0,0|0,0,0]=0 3 B25R2.511144961 N[C@@H](CC1=CC(=C(C(=C1)I)OC2=CC(=C(C(=C2)I)O)I)I)C(=O)O MCULE-8703089369 [0,0,0,0,0,0|0,0,0]=0 4 B25R2.511144961 N[C@@H](CC1=CC(=C(C(=C1)I)OC2=CC(=C(C(=C2)I)O)I)I)C(=O)[O-] MCULE-3345050161 [0,0,0,0,0,0|0,0,1]=1 5 B25R2.511144961 N[C@@H](CC1=CC(=C(C(=C1)I)OC2=CC(=C(C(=C2)I)O)I)I)C(=O)[O-] MCULE-4182060336 [0,0,0,0,0,0|0,0,1]=1 6 B25R2.511144961 N[C@H](CC1=CC(=C(C(=C1)I)OC2=CC(=C(C(=C2)I)O)I)I)C(=O)O MCULE-2953264073 [0,0,0,0,0,0|0,0,0]=0 7 B25R2.511144961 N[C@H](CC1=CC(=C(C(=C1)I)OC2=CC(=C(C(=C2)I)O)I)I)C(=O)O MCULE-5308768589 [0,0,0,0,0,0|0,0,0]=0 8 B25R2.511144961 N[C@H](CC1=CC(=C(C(=C1)I)OC2=CC(=C(C(=C2)I)O)I)I)C(=O)[O-] MCULE-1173589699 [0,0,0,0,0,0|0,0,1]=1 9 B24R2.16632171 NC(CC1=CC(=C(C(=C1)I)OC2=CC(=C(C=C2)O)I)I)C(=O)O MCULE-7045978421 [1,0,0,0,0,0|0,0,0]=1 10 B24R2.16632171 NC(CC1=CC(=C(C(=C1)I)OC2=CC(=C(C=C2)O)I)I)C(=O)[O-] MCULE-2542095055 [1,0,0,0,0,0|0,0,1]=2 11 B24R2.16632171 N[C@@H](CC1=CC(=C(C(=C1)I)OC2=CC(=C(C=C2)O)I)I)C(=O)O MCULE-7296881302 [1,0,0,0,0,0|0,0,0]=1 12 B24R2.16632171 N[C@@H](CC1=CC(=C(C(=C1)I)OC2=CC(=C(C=C2)O)I)I)C(=O)O MCULE-9369768702 [1,0,0,0,0,0|0,0,0]=1 13 B24R2.16632171 N[C@@H](CC1=CC(=C(C(=C1)I)OC2=CC=C(C(=C2)I)O)I)C(=O)O MCULE-1340267786 [1,0,0,0,0,0|0,0,0]=1 14 B24R2.16632171 N[C@@H](CC1=CC(=C(C(=C1)I)OC2=CC=C(C(=C2)I)O)I)C(=O)[O-] MCULE-7431830141 [1,0,0,0,0,0|0,0,1]=2 15 B24R2.16632171 N[C@@H](CC1=CC(=C(C(=C1)I)OC2=CC=C(C(=C2)I)O)I)C(=O)[O-] MCULE-9384373540 [1,0,0,0,0,0|0,0,1]=2 16 B24R2.46814435 NC(CC1=CC=C(C(=C1)I)OC2=CC(=C(C(=C2)I)O)I)C(=O)O MCULE-9791147757 [1,0,0,0,0,0|0,0,0]=1 17 B24R2.46814435 N[C@@H](CC1=CC(=C(C=C1)OC2=CC(=C(C(=C2)I)O)I)I)C(=O)O MCULE-5019309089 [1,0,0,0,0,0|0,0,0]=1 18 B24R2.46814435 N[C@@H](CC1=CC=C(C(=C1)I)OC2=CC(=C(C(=C2)I)O)I)C(=O)O MCULE-4567990758 [1,0,0,0,0,0|0,0,0]=1 19 B24R2.381219233 O=C(O)CCC1=CC(=C(C(=C1)I)OC2=CC(=C(C(=C2)I)O)I)I MCULE-4908214466 [1,0,0,0,0,0|0,0,0]=1 20 B23R2.718934 NC(CC1=CC=C(C(=C1)I)OC2=CC=C(C(=C2)I)O)C(=O)O MCULE-7832104109 [2,0,0,0,0,0|0,0,0]=2 21 B23R2.718934 N[C@@H](CC1=CC(=C(C=C1)OC2=CC(=C(C=C2)O)I)I)C(=O)O MCULE-2696666144 [2,0,0,0,0,0|0,0,0]=2 22 B23R2.718934 N[C@@H](CC1=CC=C(C(=C1)I)OC2=CC(=C(C=C2)O)I)C(=O)O MCULE-8386995218 [2,0,0,0,0,0|0,0,0]=2 23 B23R2.11808491 O=C(O)CCC1=CC(=C(C(=C1)I)OC2=CC(=C(C=C2)O)I)I MCULE-8440912897 [2,0,0,0,0,0|0,0,0]=2 24 B23R2.11856419 NC(CC1=CC(=C(C(=C1)I)OC2=CC=C(C=C2)O)I)C(=O)O MCULE-6889620170 [2,0,0,0,0,0|0,0,0]=2 25 B23R2.11856419 N[C@@H](CC1=CC(=C(C(=C1)I)OC2=CC=C(C=C2)O)I)C(=O)O MCULE-4151907583 [2,0,0,0,0,0|0,0,0]=2 26 B23R2.11856419 N[C@@H](CC1=CC(=C(C(=C1)I)OC2=CC=C(C=C2)O)I)C(=O)O MCULE-8727101779 [2,0,0,0,0,0|0,0,0]=2 27 B23R2.11856419 N[C@H](CC1=CC(=C(C(=C1)I)OC2=CC=C(C=C2)O)I)C(=O)O MCULE-4243999890 [2,0,0,0,0,0|0,0,0]=2 28 B23R2.121472824 N[C@@H](CO)CC1=CC(=C(C=C1)OC2=CC(=C(C(=C2)I)O)I)I MCULE-5207067147 [2,0,0,0,0,0|0,0,1]=3 29 B23R2.192709754 O=C(O)CC1=CC(=C(C(=C1)I)OC2=CC(=C(C(=C2)I)O)I)I MCULE-7515478512 [2,0,0,0,0,0|1,0,1]=4