0 B25R3.319289155 CC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CCC[NH+](C)C MCULE-4395492095 [0,0,0,0,0,0|0,0,1]=1 1 B25R3.319289155 CC(=O)C1=CC=C2SC3=C(C=CC=C3)N(C2=C1)CCCN(C)C MCULE-1881717701 [0,0,0,0,0,0|0,0,0]=0 2 B25R3.319289155 CC(=O)C1=CC=C2SC3=C(C=CC=C3)N(C2=C1)CCCN(C)C MCULE-2290654141 [0,0,0,0,0,0|0,0,0]=0 3 B25R3.319289155 CC(=O)C1=CC=C2SC3=C(C=CC=C3)N(C2=C1)CCCN(C)C MCULE-9714174953 [0,0,0,0,0,0|0,0,0]=0 4 B25R3.319289155 CN(C)CCC=C1C2=CC(=CC=C2SC3=C1C=CC=C3)N(C)C MCULE-4177851903 [0,0,0,0,0,0|3,0,1]=4 5 B24R3.252557285 CNCCCN1C2=CC(=CC=C2SC3=C1C=CC=C3)C(=O)C MCULE-2046309914 [1,0,0,0,0,0|0,0,0]=1 6 B26R3.354623373 CCC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN(C)C MCULE-2370253010 [0,1,0,0,0,0|0,0,0]=1 7 B26R3.354623373 CCC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN(C)C MCULE-7616814090 [0,1,0,0,0,0|0,0,0]=1 8 B26R3.380905063 CN(C)CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)C(F)(F)F MCULE-4776607695 [0,1,0,0,0,0|2,0,1]=4 9 B26R3.380905063 CN(C)CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)C(F)(F)F MCULE-9151902507 [0,1,0,0,0,0|2,0,1]=4 10 B23R3.10324912 CN(C)CCCN1C2=C(C=CC=C2)SC3=C1C=C(C=C3)Cl MCULE-5976054678 [2,0,0,0,0,0|1,0,0]=3 11 B23R3.10324912 CN(C)CCCN1C2=C(C=CC=C2)SC3=C1C=C(C=C3)Cl MCULE-8792081568 [2,0,0,0,0,0|1,0,0]=3 12 B23R3.10324912 CN(C)CCCN1C2=CC(=CC=C2SC3=C1C=CC=C3)Br MCULE-6965276497 [2,0,0,0,0,0|1,0,0]=3 13 B23R3.10324912 CN(C)CCCN1C2=CC(=CC=C2SC3=C1C=CC=C3)Br MCULE-9356559118 [2,0,0,0,0,0|1,0,0]=3 14 B23R3.22437456 CC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN MCULE-5550634582 [2,0,0,0,0,0|0,0,0]=2 15 B25R3.54736069 CC(CN(C)C)CN1C2=C(C=CC=C2)SC3=C1C=C(C=C3)C#N MCULE-8018996913 [1,1,0,0,0,0|1,0,1]=4 16 B25R3.54736069 CCC1=CC2=C(C=C1)SC3=CC=CC=C3N2CC(C)CN(C)C MCULE-1877977606 [1,1,0,0,0,0|0,0,1]=3 17 B25R3.54736069 CCC1=CC2=C(C=C1)SC3=CC=CC=C3N2CC(C)CN(C)C MCULE-5583801559 [1,1,0,0,0,0|0,0,1]=3 18 B25R3.54736069 COC1=CC2=C(C=C1)SC3=C(N2CC(C)CN(C)C)C=CC=C3 MCULE-2449256469 [1,1,0,0,0,0|1,0,0]=3 19 B25R3.54736069 COC1=CC2=C(C=C1)SC3=C(N2C[C@H](C)CN(C)C)C=CC=C3 MCULE-5088689273 [1,1,0,0,0,0|1,0,0]=3 20 B25R3.54736069 COC1=CC2=C(C=C1)SC3=CC=CC=C3N2C[C@H](C)CN(C)C MCULE-5043495236 [1,1,0,0,0,0|1,0,0]=3 21 B25R3.54736069 COC1=CC2=C(C=C1)SC3=CC=CC=C3N2C[C@H](C)CN(C)C MCULE-9439425487 [1,1,0,0,0,0|1,0,0]=3 22 B25R3.54736069 COC1=CC=C2SC3=C(C=CC=C3)N(C2=C1)CC(C)CN(C)C MCULE-9700381354 [1,1,0,0,0,0|1,0,0]=3 23 B25R3.54736069 COC1=CC=C2SC3=CC=CC=C3N(C2=C1)C[C@H](C)CN(C)C MCULE-3032805080 [1,1,0,0,0,0|1,0,0]=3 24 B25R3.54736069 CSC1=CC=C2SC3=CC=CC=C3N(C2=C1)CC(C)CN(C)C MCULE-1512528624 [1,1,0,0,0,0|1,0,0]=3