0 B29R4.8380176261 COC1=C(C=C2C(=C1)C[C@H]3C4=C2C(=C(C=C4CCN3C)OC)OC)OC MCULE-6725084564 [1,0,0,0,0,0|0,0,2]=3 1 B29R4.8380176261 COC1=CC2=C(C=C1OC)C3=C(C(=CC4=C3C(C2)[NH+](CC4)C)OC)OC MCULE-8352631027 [1,0,0,0,0,0|0,0,3]=4 2 B29R4.8380176261 COC1=CC2=C(C=C1OC)C3=C4C(=CC(=C3OC)OC)CCN(C4=C2)C MCULE-9517315258 [1,0,0,0,0,0|0,0,0]=1 3 B29R4.8380176261 COC1=CC2=C(C=C1OC)C3=C4C(=CC(=C3OC)OC)CCN([C@H]4C2)C MCULE-3191038894 [1,0,0,0,0,0|0,0,2]=3 4 B29R4.8380176261 COC1=CC2=C3C(=C1OC)C4=CC(=C(C=C4CC3N(CC2)C)OC)OC MCULE-8072093613 [1,0,0,0,0,0|0,0,2]=3 5 B29R4.8380176261 COC1=CC2=C3C(=C1OC)C4=CC(=C(C=C4C[C@@H]3N(CC2)C)OC)OC MCULE-9572357326 [1,0,0,0,0,0|0,0,2]=3 6 B29R4.8380176261 [C@H]12CC3=CC(=C(C=C3C4=C1C(=CC(=C4OC)OC)CCN2C)OC)OC MCULE-1554373689 [1,0,0,0,0,0|0,0,2]=3 7 B29R4.8380176261 [C@H]12CC3=CC(=C(C=C3C4=C1C(=CC(=C4OC)OC)CCN2C)OC)OC MCULE-6128851035 [1,0,0,0,0,0|0,0,2]=3 8 B28R3.1577468486 COC1=C(C=C(C=C1)CC2C3=CC(=C(C=C3CCN2C)OC)OC)OC MCULE-1703608488 [1,0,1,0,0,0|0,0,2]=4 9 B28R3.1577468486 COC1=CC=C(C=C1OC)C[C@H]2C3=C(C=C(C(=C3)OC)OC)CCN2C MCULE-9824379461 [1,0,1,0,0,0|0,0,2]=4 10 B28R3.1577468486 COC1=CC=C(C=C1OC)C[C@H]2C3=CC(=C(C=C3CCN2C)OC)OC MCULE-4104007202 [1,0,1,0,0,0|0,0,2]=4 11 B28R3.3199327839 COC1=CC=C(C=C1OC)C(=O)C2=NCCC3=C2C=C(C(=C3)OC)OC MCULE-8118683593 [1,0,1,0,0,0|0,0,2]=4 12 B28R3.4258104900 CNCCC1=CC(=C(C2=C1C=CC3=CC(=C(C=C23)OC)OC)OC)OC MCULE-3961371557 [1,0,1,0,0,0|0,0,0]=2 13 B28R3.4258104900 CNCCC1=CC(=C(C2=C1C=CC3=CC(=C(C=C23)OC)OC)OC)OC MCULE-7855901252 [1,0,1,0,0,0|0,0,0]=2 14 B28R4.1445113815 COC1=CC2=C(C=C1OC)C3=C4C(=CC(=C3OC)OC)CCN[C@H]4C2 MCULE-3374107952 [2,0,0,0,0,0|0,0,2]=4 15 B28R4.1800865984 [C@H]12CC3=C(C=C(C(=C3)O)OC)C4=C1C(=CC(=C4OC)OC)CCN2C MCULE-6583767526 [2,0,0,0,0,0|0,0,2]=4 16 B28R4.1800865984 [C@H]12CC3=C(C=C(C(=C3)O)OC)C4=C1C(=CC(=C4OC)OC)CCN2C MCULE-9885396232 [2,0,0,0,0,0|0,0,2]=4 17 B28R4.1800866984 C12CC3=C(C=C(C(=C3)OC)OC)C4=C1C(=CC(=C4O)OC)CCN2C MCULE-4133192428 [2,0,0,0,0,0|0,0,2]=4 18 B30R4.1490843333 COC1=CC2=CC3=C4C(=CC(=C(C4=C2C=C1OC)OC)OC)CCN3C=O MCULE-8950372216 [1,1,0,0,0,0|0,0,1]=3 19 B30R3.14801843030 COC1=C(C=C(C=C1)C(=O)C2=CC3=CC(=C(C=C3CCN2C)OC)OC)OC MCULE-3521348933 [0,0,1,0,0,1|0,0,1]=3 20 B29R3.1618149351 COC1=CC(=C2C=CC3=CC(=C(C=C3C2=C1OC)OC)OC)CCN(C)C MCULE-3705134680 [1,1,1,0,0,0|0,0,0]=3 21 B29R3.1618149351 COC1=CC2=C(C=C1OC)C3=C(C(=CC(=C3C=C2)CCN(C)C)OC)OC MCULE-1407307110 [1,1,1,0,0,0|0,0,0]=3 22 B29R4.2553710690 COC1=C(C=C2C(=C1)CCN3C2=CC4=C(C3)C(=C(C=C4)OC)OC)OC MCULE-4444788920 [1,0,1,1,0,0|0,0,0]=3 23 B29R5.996714970 COC1=CC2=CC3=C4C(=CC5=C(C4=C2C=C1OC)OCO5)CCN3C MCULE-4063957336 [2,0,0,1,0,0|0,0,0]=3 24 B31R4.980687641 COC1=C(C=C2CCN(C(=CC2=C1)C(=O)C3=CC=C4OCCOC4=C3)C)OC MCULE-3501507556 [0,0,1,1,0,1|0,0,1]=4 25 B27R3.1291615992 COC1=CC=C(C=C1OC)C2C3=C(C=C(C(=C3)OC)OC)CCN2C MCULE-1147835099 [1,0,1,0,1,0|0,0,1]=4 26 B29R3.2753499868 COC1=C(C=C(C=C1)C(=O)C=C2NCCC3=CC(=C(C=C23)OC)OC)OC MCULE-8853322824 [1,0,1,0,0,1|0,0,1]=4