0 B31R4.461223194 CN1CCN(CC1)CCCN2C3=C(C=CC=C3)SC4=C2C=C(C=C4)C(F)(F)F MCULE-3726407978 [0,0,0,0,0,0|0,0,0]=0 1 B31R4.461223194 CN1CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F MCULE-4769778286 [0,0,0,0,0,0|0,0,0]=0 2 B31R4.461223194 C[NH+]1CC[NH+](CC1)CCCN2C3=C(C=CC=C3)SC4=C2C=C(C=C4)C(F)(F)F MCULE-1362676470 [0,0,0,0,0,0|0,0,2]=2 3 B30R4.93350519 FC(F)(F)C1=CC2=C(C=C1)SC3=C(N2CCCN4CCNCC4)C=CC=C3 MCULE-5040922277 [1,0,0,0,0,0|0,0,0]=1 4 B30R4.93350519 FC(F)(F)C1=CC2=C(C=C1)SC3=C(N2CCC[NH+]4CC[NH2+]CC4)C=CC=C3 MCULE-9989132632 [1,0,0,0,0,0|0,0,2]=3 5 B32R4.368321800 CN1CCN(CC1)CCC(=O)N2C3=C(C=CC=C3)SC4=C2C=C(C=C4)C(F)(F)F MCULE-1593502927 [0,1,0,0,0,0|0,0,1]=2 6 B32R4.368321800 CN1CCN(CC1)CCC(=O)N2C3=C(C=CC=C3)SC4=C2C=C(C=C4)C(F)(F)F MCULE-5721743937 [0,1,0,0,0,0|0,0,1]=2 7 B31R4.1129126018 O=C(CCN1CCCCC1)N2C3=CC(=CC=C3SC4=C2C=CC=C4)C(F)(F)F MCULE-4764784692 [1,1,0,0,0,0|1,0,1]=4 8 B31R4.1129126018 O=C(CCN1CCCCC1)N2C3=CC(=CC=C3SC4=C2C=CC=C4)C(F)(F)F MCULE-7870636888 [1,1,0,0,0,0|1,0,1]=4 9 B31R4.1129126018 O=C(CCN1CCOCC1)N2C3=C(C=CC=C3)SC4=C2C=C(C=C4)C(F)(F)F MCULE-6718247114 [1,1,0,0,0,0|1,0,1]=4 10 B31R4.460506317 CN1CCN(CC1)CC(=O)N2C3=C(C=CC=C3)SC4=C2C=C(C=C4)C(F)(F)F MCULE-5707068049 [0,1,0,0,1,0|0,0,1]=3 11 B33R4.114607347 FC(F)(F)C1=CC2=C(C=C1)SC3=C(N2CCCN4CCN(CC4)CCCl)C=CC=C3 MCULE-1740210113 [0,2,0,0,0,0|0,0,0]=2 12 B33R4.114607347 FC(F)(F)C1=CC2=C(C=C1)SC3=C(N2CCC[NH+]4CC[NH+](CC4)CCCl)C=CC=C3 MCULE-9465669740 [0,2,0,0,0,0|0,0,2]=4 13 B33R4.114607347 OCCN1CCN(CC1)CC/C=C/2\C3=C(C=CC=C3)SC4=C2C=C(C=C4)C(F)(F)F MCULE-3142042333 [0,2,0,0,0,0|1,0,1]=4 14 B33R4.114607347 OCCN1CCN(CC1)CC/C=C/2\C3=C(C=CC=C3)SC4=C2C=C(C=C4)C(F)(F)F MCULE-3168532179 [0,2,0,0,0,0|1,0,1]=4 15 B33R4.114607347 OCCN1CCN(CC1)CC/C=C\2/C3=CC=CC=C3SC4=CC=C(C=C24)C(F)(F)F MCULE-3223583339 [0,2,0,0,0,0|1,0,1]=4 16 B33R4.114607347 OCCN1CCN(CC1)CC/C=C\2/C3=CC=CC=C3SC4=CC=C(C=C24)C(F)(F)F MCULE-8655926546 [0,2,0,0,0,0|1,0,1]=4 17 B33R4.114607347 OCCN1CCN(CC1)CCC=C2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F MCULE-3206034734 [0,2,0,0,0,0|1,0,1]=4 18 B33R4.114607347 OCCN1CCN(CC1)CCC=C2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F MCULE-3352242454 [0,2,0,0,0,0|1,0,1]=4 19 B33R4.114607347 OCCN1CCN(CC1)CCC=C2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F MCULE-8556509498 [0,2,0,0,0,0|1,0,1]=4 20 B33R4.114607347 OCCN1CCN(CC1)CCCN2C3=C(C=CC=C3)SC4=C2C=C(C=C4)C(F)(F)F MCULE-5643291638 [0,2,0,0,0,0|0,0,0]=2 21 B33R4.114607347 OCCN1CCN(CC1)CCCN2C3=C(C=CC=C3)SC4=C2C=C(C=C4)C(F)(F)F MCULE-7579992672 [0,2,0,0,0,0|0,0,0]=2 22 B33R4.114607347 OCCN1CCN(CC1)CCCN2C3=CC(=CC=C3SC4=C2C=CC=C4)C(F)(F)F MCULE-3402071752 [0,2,0,0,0,0|0,0,0]=2 23 B33R4.114607347 [NH+]1(CC[NH+](CC1)CCCN2C3=C(C=CC=C3)SC4=C2C=C(C=C4)C(F)(F)F)CCO MCULE-5539512526 [0,2,0,0,0,0|0,0,2]=4