0 B29R5.1192510916 COC1=C(C2=C(C=C1)C=C3C4=C(C=C5OCOC5=C4)CC[N+]3=C2)OC MCULE-4892227388 [0,0,0,0,0,0|0,0,0]=0 1 B29R5.1192510916 COC1=C(C2=C(C=C1)C=C3C4=C(C=C5OCOC5=C4)CC[N+]3=C2)OC MCULE-8261808830 [0,0,0,0,0,0|0,0,0]=0 2 B29R5.1192510916 COC1=C(C2=C(C=C1)C=C3C4=CC5=C(C=C4CCN3C2)OCO5)OC MCULE-9782462402 [0,0,0,0,0,0|0,0,2]=2 3 B29R5.1192510916 COC1=C(C2=C(C=C1)CC3C4=CC5=C(C=C4CCN3C2)OCO5)OC MCULE-3875114127 [0,0,0,0,0,0|0,0,4]=4 4 B29R5.1192510916 COC1=C(C2=C(C=C1)C[C@@H]3C4=CC5=C(C=C4CCN3C2)OCO5)OC MCULE-3540014010 [0,0,0,0,0,0|0,0,4]=4 5 B29R5.1192510916 COC1=C(C2=C(C=C1)C[C@H]3C4=CC5=C(C=C4CCN3C2)OCO5)OC MCULE-6909489981 [0,0,0,0,0,0|0,0,4]=4 6 B29R5.1192510916 COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=C(C=C5OCOC5=C4)CC3)OC MCULE-7356741555 [0,0,0,0,0,0|0,0,0]=0 7 B29R5.1192510916 COC1=CC=C2C=C3C4=C(C=C5OCOC5=C4)CC[N+]3=CC2=C1OC MCULE-9829996828 [0,0,0,0,0,0|0,0,0]=0 8 B29R5.1192510916 COC1=CC=C2C[C@H]3C4=C(C=C5OCOC5=C4)CCN3CC2=C1OC MCULE-9192811943 [0,0,0,0,0,0|0,0,4]=4 9 B29R5.1192510916 [C@H]12CC3=C(CN1CCC4=C2C=C5OCOC5=C4)C(=C(C=C3)OC)OC MCULE-1700843511 [0,0,0,0,0,0|0,0,4]=4 10 B28R5.205222918 COC1=CC=C2C=C3C4=C(C=C5OCOC5=C4)CC[N+]3=CC2=C1O MCULE-8753658431 [1,0,0,0,0,0|0,0,0]=1 11 B28R5.205222918 COC1=CC=C2C=C3C4=CC5=C(C=C4CCN3C=C2C1=O)OCO5 MCULE-2722865767 [1,0,0,0,0,0|0,0,2]=3 12 B30R5.1565739462 COC1=C(C2=C(C=C1)C=C3C4=CC5=C(C=C4CCN3C2=O)OCO5)OC MCULE-4182029560 [0,1,0,0,0,0|0,0,1]=2 13 B30R5.1568061793 COC1=C(C2=C[N+]3=C(C4=CC5=C(C=C4CC3)OCO5)C(=C2C=C1)C)OC MCULE-4537721350 [0,1,0,0,0,0|0,0,0]=1 14 B30R5.1568061793 COC1=C(C2=C[N+]3=C(C4=CC5=C(C=C4CC3)OCO5)C(=C2C=C1)C)OC MCULE-4834317634 [0,1,0,0,0,0|0,0,0]=1 15 B30R5.2784480621 COC1=CC(=C2C=C3C4=C(C=C5OCOC5=C4)CC[N+]3=CC2=C1OC)Br MCULE-4565368650 [0,1,0,0,0,0|0,0,0]=1 16 B30R5.2784480621 COC1=CC(=C2C=C3C4=C(C=C5OCOC5=C4)CC[N+]3=CC2=C1OC)Br MCULE-8303011037 [0,1,0,0,0,0|0,0,0]=1 17 B28R4.1232382383 COC1=C(C=C2CC[N+]3=C(C2=C1)C=C4C=CC(=C(C4=C3)OC)OC)O MCULE-3306963340 [0,0,1,0,0,0|0,0,0]=1 18 B28R4.1232382383 COC1=C(C=C2CC[N+]3=C(C2=C1)C=C4C=CC(=C(C4=C3)OC)OC)O MCULE-9142866469 [0,0,1,0,0,0|0,0,0]=1 19 B28R4.1232382383 COC1=CC2=C(C=C1O)CC[N+]3=CC4=C(C=CC(=C4OC)OC)C=C23 MCULE-5685835890 [0,0,1,0,0,0|0,0,0]=1 20 B28R4.1232382390 COC1=CC2=C(C=C1O)C3=[N+](C=C4C(=C3)C=CC(=C4OC)OC)CC2 MCULE-1960820824 [0,0,1,0,0,0|0,0,0]=1 21 B28R4.1232382390 COC1=CC2=C(C=C1O)C3=[N+](C=C4C(=C3)C=CC(=C4OC)OC)CC2 MCULE-7850232185 [0,0,1,0,0,0|0,0,0]=1 22 B29R4.2553710690 COC1=C(C=C2C(=C1)CCN3C2=CC4=C(C3)C(=C(C=C4)OC)OC)OC MCULE-4444788920 [0,1,1,0,0,0|0,0,2]=4 23 B29R4.2553710690 COC1=CC2=C(C=C1OC)C3=[N+](C=C4C(=C3)C=CC(=C4OC)OC)CC2 MCULE-7690821089 [0,1,1,0,0,0|0,0,0]=2 24 B29R4.2553710690 COC1=CC2=C(C=C1OC)C3=[N+](C=C4C(=C3)C=CC(=C4OC)OC)CC2 MCULE-8294668918 [0,1,1,0,0,0|0,0,0]=2 25 B31R5.550166130 COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=C(C5=C(C=C4CC3)OCO5)OC)OC MCULE-8164151657 [0,2,0,0,0,0|0,0,0]=2 26 B31R5.550166130 COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=C(C5=C(C=C4CC3)OCO5)OC)OC MCULE-9980659999 [0,2,0,0,0,0|0,0,0]=2 27 B31R5.816056337 COC1=C(C2=C(C=C1)C(=C3C4=CC5=C(C=C4CCN3C2=O)OCO5)O)OC MCULE-1598376679 [0,2,0,0,0,0|0,0,1]=3 28 B29R5.996714970 COC1=CC2=CC3=C4C(=CC5=C(C4=C2C=C1OC)OCO5)CCN3C MCULE-4063957336 [0,0,1,1,0,0|0,0,2]=4 29 B29R6.387034674 C1=CC2=C(OCO2)C3=C1C=C4C5=C(C=C6OCOC6=C5)CC[N+]4=C3 MCULE-1440431358 [1,0,0,1,0,0|0,0,0]=2 30 B29R6.387034674 C1=CC2=C(OCO2)C3=C[N+]4=C(C=C31)C5=CC6=C(C=C5CC4)OCO6 MCULE-2424651132 [1,0,0,1,0,0|0,0,0]=2 31 B29R6.387034674 C1=CC2=C(OCO2)C3=C[N+]4=C(C=C31)C5=CC6=C(C=C5CC4)OCO6 MCULE-4084476394 [1,0,0,1,0,0|0,0,0]=2 32 B29R6.387034674 C1=CC2=C(OCO2)C3=C[N+]4=C(C=C31)C5=CC6=C(C=C5CC4)OCO6 MCULE-9145683721 [1,0,0,1,0,0|0,0,0]=2