0 B28R4.1232382390 COC1=CC2=C(C=C1O)C3=[N+](C=C4C(=C3)C=CC(=C4OC)OC)CC2 MCULE-1960820824 [0,0,0,0,0,0|0,0,0]=0 1 B28R4.1232382390 COC1=CC2=C(C=C1O)C3=[N+](C=C4C(=C3)C=CC(=C4OC)OC)CC2 MCULE-7850232185 [0,0,0,0,0,0|0,0,0]=0 2 B28R4.1232382390 [C@@H]12CC3=C(CN1CCC4=CC(=C(C=C24)O)OC)C(=C(C=C3)OC)OC MCULE-2739186472 [0,0,0,0,0,0|0,0,4]=4 3 B28R4.1232382390 [C@@H]12CC3=CC=C(C(=C3CN1CCC4=CC(=C(C=C24)O)OC)OC)OC MCULE-3987199342 [0,0,0,0,0,0|0,0,4]=4 4 B29R4.2553710690 COC1=C(C=C2C(=C1)CCN3C2=CC4=C(C3)C(=C(C=C4)OC)OC)OC MCULE-4444788920 [0,1,0,0,0,0|0,0,2]=3 5 B29R4.2553710690 COC1=CC2=C(C=C1OC)C3=[N+](C=C4C(=C3)C=CC(=C4OC)OC)CC2 MCULE-7690821089 [0,1,0,0,0,0|0,0,0]=1 6 B29R4.2553710690 COC1=CC2=C(C=C1OC)C3=[N+](C=C4C(=C3)C=CC(=C4OC)OC)CC2 MCULE-8294668918 [0,1,0,0,0,0|0,0,0]=1 7 B29R5.1192510916 COC1=C(C2=C(C=C1)C=C3C4=C(C=C5OCOC5=C4)CC[N+]3=C2)OC MCULE-4892227388 [0,0,0,1,0,0|0,0,0]=1 8 B29R5.1192510916 COC1=C(C2=C(C=C1)C=C3C4=C(C=C5OCOC5=C4)CC[N+]3=C2)OC MCULE-8261808830 [0,0,0,1,0,0|0,0,0]=1 9 B29R5.1192510916 COC1=C(C2=C(C=C1)C=C3C4=CC5=C(C=C4CCN3C2)OCO5)OC MCULE-9782462402 [0,0,0,1,0,0|0,0,2]=3 10 B29R5.1192510916 COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=C(C=C5OCOC5=C4)CC3)OC MCULE-7356741555 [0,0,0,1,0,0|0,0,0]=1 11 B29R5.1192510916 COC1=CC=C2C=C3C4=C(C=C5OCOC5=C4)CC[N+]3=CC2=C1OC MCULE-9829996828 [0,0,0,1,0,0|0,0,0]=1 12 B26R3.1073128475 COC1=CC2=C(C=C1)C(=O)C(=CC3=C(C(=CC=C3)OC)OC)CC2 MCULE-4731693998 [1,0,1,0,0,0|2,0,0]=4 13 B28R4.1232382383 COC1=C(C=C2CC[N+]3=C(C2=C1)C=C4C=CC(=C(C4=C3)OC)OC)O MCULE-3306963340 [1,1,0,0,0,0|0,0,0]=2 14 B28R4.1232382383 COC1=C(C=C2CC[N+]3=C(C2=C1)C=C4C=CC(=C(C4=C3)OC)OC)O MCULE-9142866469 [1,1,0,0,0,0|0,0,0]=2 15 B28R4.1232382383 COC1=CC2=C(C=C1O)CC[N+]3=CC4=C(C=CC(=C4OC)OC)C=C23 MCULE-5685835890 [1,1,0,0,0,0|0,0,0]=2 16 B30R4.2653477667 COC1=C(C=C2C(=C1)CC[N+]3=C2C(=C4C=CC(=C(C4=C3)OC)OC)C)OC MCULE-9979700112 [0,2,0,0,0,0|0,0,0]=2 17 B30R4.2653477667 COC1=C(C=C2C(=C1)CC[N+]3=CC4=C(C=CC(=C4OC)OC)C(=C23)C)OC MCULE-2468770315 [0,2,0,0,0,0|0,0,0]=2 18 B30R4.3946028811 COC1=C(C=C2C(=C1)CCN3C2=CC4=C(C3=O)C(=C(C=C4)OC)OC)OC MCULE-5093763648 [0,2,0,0,0,0|0,0,1]=3 19 B28R5.36530302 COC1=CC2=C(C=C1O)C3=CC4=C(C=[N+]3CC2)C5=C(C=C4)OCO5 MCULE-2628705326 [1,0,0,1,0,0|0,0,0]=2 20 B28R5.36530302 COC1=CC2=C(C=C1O)C3=CC4=C(C=[N+]3CC2)C5=C(C=C4)OCO5 MCULE-6626141728 [1,0,0,1,0,0|0,0,0]=2 21 B28R5.205222918 COC1=CC=C2C=C3C4=C(C=C5OCOC5=C4)CC[N+]3=CC2=C1O MCULE-8753658431 [1,0,0,1,0,0|0,0,0]=2 22 B28R5.205222918 COC1=CC=C2C=C3C4=CC5=C(C=C4CCN3C=C2C1=O)OCO5 MCULE-2722865767 [1,0,0,1,0,0|0,0,2]=4 23 B30R5.1565739462 COC1=C(C2=C(C=C1)C=C3C4=CC5=C(C=C4CCN3C2=O)OCO5)OC MCULE-4182029560 [0,1,0,1,0,0|0,0,1]=3 24 B30R5.1568061793 COC1=C(C2=C[N+]3=C(C4=CC5=C(C=C4CC3)OCO5)C(=C2C=C1)C)OC MCULE-4537721350 [0,1,0,1,0,0|0,0,0]=2 25 B30R5.1568061793 COC1=C(C2=C[N+]3=C(C4=CC5=C(C=C4CC3)OCO5)C(=C2C=C1)C)OC MCULE-4834317634 [0,1,0,1,0,0|0,0,0]=2 26 B30R5.2784480621 COC1=CC(=C2C=C3C4=C(C=C5OCOC5=C4)CC[N+]3=CC2=C1OC)Br MCULE-4565368650 [0,1,0,1,0,0|0,0,0]=2 27 B30R5.2784480621 COC1=CC(=C2C=C3C4=C(C=C5OCOC5=C4)CC[N+]3=CC2=C1OC)Br MCULE-8303011037 [0,1,0,1,0,0|0,0,0]=2