0 B17R2.19053 CCCNCCC1=CC=CC2=C1CC(=O)N2 MCULE-3988745004 [0,0,0,0,0,0|0,0,0]=0 1 B17R2.19053 CCCNCCC1=CC=CC2=C1CC(=O)N2 MCULE-5971790941 [0,0,0,0,0,0|0,0,0]=0 2 B15R1.1180 CC(=O)NC1=CC=CC(=C1)OCCCN MCULE-6988107644 [1,0,1,0,0,0|2,0,0]=4 3 B15R1.1180 CCCCCC1=CC(=CC=C1)CC(=O)O MCULE-5919708499 [1,0,1,0,0,0|2,0,0]=4 4 B15R1.1180 CCCCCC1=CC=CC(=C1)CC(=O)[O-] MCULE-7012638400 [1,0,1,0,0,0|2,0,0]=4 5 B15R1.1180 CCCCOC1=CC=CC(=C1)NC(=O)C MCULE-8820993143 [1,0,1,0,0,0|1,0,0]=3 6 B15R1.1188 CCCCOC1=CC=CC=C1CC(=O)O MCULE-7110121925 [1,0,1,0,0,0|2,0,0]=4 7 B17R1.1876 CCCCC[C@@H](N)C1=CC=CC(=C1)OC(=O)C MCULE-4765711473 [0,1,1,0,0,0|2,0,0]=4 8 B17R1.1876 CCCCC[C@@H](N)C1=CC=CC(=C1)OC(=O)C MCULE-8114392617 [0,1,1,0,0,0|2,0,0]=4 9 B17R1.1876 CCCCC[C@H](N)C1=CC=CC(=C1)OC(=O)C MCULE-1538056883 [0,1,1,0,0,0|2,0,0]=4 10 B17R1.1876 CCCCC[C@H](N)C1=CC=CC(=C1)OC(=O)C MCULE-8811655997 [0,1,1,0,0,0|2,0,0]=4 11 B17R1.4912 CCCNC(=O)NC1=CC(=CC=C1)NC(=O)C MCULE-7927871737 [0,1,1,0,0,0|1,0,1]=4 12 B17R1.4912 CCCNC(=S)NC1=CC(=CC=C1)NC(=O)C MCULE-6704304969 [0,1,1,0,0,0|1,0,1]=4 13 B17R2.8178 CCCCC[C@@H](N)C1=C2C=CNC2=CC=C1 MCULE-5851417349 [1,1,0,0,0,0|1,0,1]=4 14 B17R2.8178 CCCCC[C@@H](N)C1=C2C=CNC2=CC=C1 MCULE-6454164702 [1,1,0,0,0,0|1,0,1]=4 15 B17R2.8178 CCCCC[C@H](N)C1=C2C=CNC2=CC=C1 MCULE-7226194286 [1,1,0,0,0,0|1,0,1]=4 16 B17R2.8178 CCCCC[C@H](N)C1=C2C=CNC2=CC=C1 MCULE-9051315014 [1,1,0,0,0,0|1,0,1]=4 17 B17R2.247 CC(=O)NC1=CC(=CC=C1)C2CCCNC2 MCULE-3835555102 [0,0,1,1,0,0|0,0,0]=2 18 B17R2.247 CC(=O)NC1=CC(=CC=C1)C2CCNCC2 MCULE-1596546034 [0,0,1,1,0,0|2,0,0]=4 19 B17R2.247 CC(=O)NC1=CC=CC(=C1)C2CCCNC2 MCULE-4567635678 [0,0,1,1,0,0|0,0,0]=2 20 B17R2.247 CC(=O)NC1=CC=CC(=C1)C2CCNCC2 MCULE-4524664860 [0,0,1,1,0,0|2,0,0]=4 21 B17R2.247 [C@@H]1(CNCCN1)C2=CC=CC(=C2)OC(=O)C MCULE-1466789883 [0,0,1,1,0,0|2,0,0]=4 22 B17R2.247 [C@@H]1(CNCCN1)C2=CC=CC(=C2)OC(=O)C MCULE-7198016952 [0,0,1,1,0,0|2,0,0]=4 23 B17R2.247 [C@H]1(CNCCN1)C2=CC=CC(=C2)OC(=O)C MCULE-5831628972 [0,0,1,1,0,0|2,0,0]=4 24 B17R2.247 [C@H]1(CNCCN1)C2=CC=CC(=C2)OC(=O)C MCULE-6190119313 [0,0,1,1,0,0|2,0,0]=4 25 B17R2.248 O=C(O)CC1=CC=CC=C1C2CCCCC2 MCULE-5749725830 [0,0,1,1,0,0|2,0,0]=4 26 B17R3.8707 C1=CC(=C2C=CNC2=C1)[C@@H]3CNCCN3 MCULE-1654650766 [1,0,0,1,0,0|1,0,1]=4 27 B17R3.8707 C1=CC(=C2C=CNC2=C1)[C@@H]3CNCCN3 MCULE-7424804413 [1,0,0,1,0,0|1,0,1]=4 28 B17R3.8707 C1=CC(=C2C=CNC2=C1)[C@H]3CNCCN3 MCULE-2297798314 [1,0,0,1,0,0|1,0,1]=4 29 B17R3.8707 C1=CC(=C2C=CNC2=C1)[C@H]3CNCCN3 MCULE-6182781854 [1,0,0,1,0,0|1,0,1]=4 30 B17R3.8707 C1=CC2=C(C=CN2)C(=C1)[C@H]3CCCNC3 MCULE-6131312592 [1,0,0,1,0,0|0,0,1]=3 31 B19R3.229010 CCCN[C@@H]1CC2=CC=CC3=C2N(C1)C(=O)N3 MCULE-1285001124 [0,1,0,1,0,0|1,0,0]=3 32 B15R1.237 CCCCCOC1=CC(=CC=C1)C(=O)C MCULE-1984039893 [0,0,1,0,1,0|2,0,0]=4 33 B15R1.237 CCCCCSC1=CC(=CC=C1)C(=O)C MCULE-9111378745 [0,0,1,0,1,0|2,0,0]=4