0 B17R2.146458 CC1=CC(=CC(=C1)OCC2CNC(=O)O2)C MCULE-3101469866 [0,0,0,0,0,0|0,0,0]=0 1 B16R2.258 CC1=NC(=CC=C1)OCC2CCC(=O)N2 MCULE-1849791721 [1,0,0,0,0,0|3,0,0]=4 2 B16R2.11351 CC1=CC(=CC(=C1)OCC2CCNC2)C MCULE-1388453018 [1,0,0,0,0,0|1,0,1]=3 3 B16R2.11351 CC1=CC(=CC(=C1)OCC2CCNC2)C MCULE-2068774549 [1,0,0,0,0,0|1,0,1]=3 4 B18R2.163648 CC1=CC(=CC(=C1)OCC2=CC=C(O2)C=O)C MCULE-6910267405 [0,1,0,0,0,0|1,0,2]=4 5 B16R1.4381 CCC(=O)OCC#CC1=CC(=CC(=C1)C)C MCULE-8236025116 [0,0,1,0,0,0|2,0,1]=4 6 B16R1.6848 CC(=O)CCCCOC1=CC(=CC(=C1)C)C MCULE-8571749802 [0,0,1,0,0,0|2,0,0]=3 7 B15R1.942 CNC(=S)SCCOC1=CC=CC(=C1)C MCULE-7949506277 [1,0,1,0,0,0|0,2,0]=4 8 B15R1.1010 CC1=CC(=CC(=C1)OCCCCC=O)C MCULE-4935402743 [1,0,1,0,0,0|1,0,0]=3 9 B15R1.5448 CC(=O)NCCOC1=CC(=CC(=C1)C)Br MCULE-9054135405 [1,0,1,0,0,0|2,0,0]=4 10 B15R1.5448 CC1=CC(=CC(=C1)OCCCC(=O)O)C MCULE-4162298612 [1,0,1,0,0,0|2,0,0]=4 11 B15R1.119 CC(=O)CCCCOC1=CC=CC(=C1)C MCULE-8576331731 [1,0,1,0,0,0|2,0,0]=4 12 B15R1.119 CC1=CC(=CC=C1)OCCCCC(=O)O MCULE-5965530700 [1,0,1,0,0,0|1,0,0]=3 13 B15R1.119 O=C(O)CCCCOC1=CC=CC(=C1)Cl MCULE-5725530491 [1,0,1,0,0,0|2,0,0]=4 14 B15R2.283 O=C1CC(CN1)COC2=CC=CC=N2 MCULE-9087065801 [2,0,0,0,0,0|2,0,0]=4 15 B15R2.283 O=S1OCC(O1)COC2=CC=CC=C2 MCULE-4229492085 [2,0,0,0,0,0|2,0,0]=4 16 B15R2.1117 CC1=CC(=CC=C1)OC[C@@H]2CCNC2 MCULE-1633849650 [2,0,0,0,0,0|1,0,1]=4 17 B15R2.1117 CC1=CC(=CC=C1)OC[C@@H]2CCNC2 MCULE-6994446354 [2,0,0,0,0,0|1,0,1]=4 18 B15R2.1117 CC1=CC(=CC=C1)OC[C@H]2CCNC2 MCULE-3900314109 [2,0,0,0,0,0|1,0,1]=4 19 B15R2.1117 CC1=CC(=CC=C1)OC[C@H]2CCNC2 MCULE-4262514130 [2,0,0,0,0,0|1,0,1]=4 20 B15R2.1117 CC1=CC=CC(=C1)OCC2CCCO2 MCULE-4851012843 [2,0,0,0,0,0|1,0,1]=4 21 B15R2.1117 CC1=CC=CC(=C1)OCC2CCNC2 MCULE-2615033348 [2,0,0,0,0,0|1,0,1]=4 22 B15R2.1117 CC1=CC=CC(=C1)OCC2CCNC2 MCULE-3996198847 [2,0,0,0,0,0|1,0,1]=4 23 B17R1.61716 CC1=CC(=CC(=C1)C(=O)CCCCC(=O)O)C MCULE-9628520196 [0,1,1,0,0,0|2,0,0]=4 24 B17R1.9317 CCNCC(O)COC1=CC(=C(C(=C1)C)Cl)C MCULE-2059617163 [0,1,1,0,0,0|1,0,1]=4 25 B17R2.8998 CC1=CC(=C(C(=C1)OCC2CCNC2)C)C MCULE-1808887090 [1,1,0,0,0,0|1,0,1]=4 26 B17R2.8998 CC1=CC(=C(C(=C1)OCC2CCNC2)C)C MCULE-4483006926 [1,1,0,0,0,0|1,0,1]=4 27 B17R2.247415 CC1=CC(=CC(=C1Br)C)OCC2CCCO2 MCULE-1074518598 [1,1,0,0,0,0|1,0,1]=4 28 B17R2.247415 CC1=CC(=CC(=C1Cl)C)OCC2CCNC2 MCULE-2038361309 [1,1,0,0,0,0|1,0,1]=4 29 B17R2.247415 CC1=CC(=CC(=C1Cl)C)OCC2CCNC2 MCULE-6735152343 [1,1,0,0,0,0|1,0,1]=4 30 B19R2.466608 CC1=CC(=CC(=C1)OCC2CNC(=O)O2)C(=O)O MCULE-7644500831 [0,2,0,0,0,0|0,0,1]=3 31 B15R1.931 CNC(=O)CCOC1=CC(=CC(=C1)Br)F MCULE-2167154489 [0,0,1,0,1,0|2,0,0]=4 32 B15R1.931 CNC(=O)CSCC1=CC(=CC(=C1)C)C MCULE-9507229574 [0,0,1,0,1,0|2,0,0]=4 33 B15R1.931 COC(=O)CCNC1=CC(=CC(=C1)C)C MCULE-8303756167 [0,0,1,0,1,0|2,0,0]=4 34 B15R2.1115 O=C1CCC(O1)CC2=CC=CC(=C2)O MCULE-9224632109 [1,0,0,0,1,0|2,0,0]=4 35 B15R2.1115 O=C1NCC(O1)CC2=CC=CC(=C2)F MCULE-2576077414 [1,0,0,0,1,0|1,0,0]=3 36 B15R2.6867 CC1=CC(=CC(=C1)OCC2CNC2)Br MCULE-2533642005 [1,0,0,0,1,0|1,0,1]=4 37 B15R2.6867 CC1=CC(=CC(=C1)OCC2CNC2)Br MCULE-8189866657 [1,0,0,0,1,0|1,0,1]=4 38 B15R2.6867 CC1=CC(=CC(=C1)OCC2CNC2)C MCULE-6807813414 [1,0,0,0,1,0|0,0,1]=3 39 B15R2.6867 CC1=CC(=CC(=C1)OCC2CNC2)Cl MCULE-3084053493 [1,0,0,0,1,0|1,0,1]=4 40 B15R2.6867 CC1=CC(=CC(=C1)OCC2CNC2)F MCULE-9296482114 [1,0,0,0,1,0|1,0,1]=4 41 B15R2.6880 CC1=CC(=CC(=C1)OC2CCNC2)C MCULE-1103037748 [1,0,0,0,1,0|1,0,1]=4 42 B15R2.6880 CC1=CC(=CC(=C1)OC2CCNC2)C MCULE-5066149341 [1,0,0,0,1,0|1,0,1]=4 43 B15R2.41345 CC1=CC(=CC(=C1)[C@@H]2CNC(=O)N2)C MCULE-1221954413 [0,0,0,0,2,0|1,0,0]=3 44 B15R2.41345 CC1=CC(=CC(=C1)[C@@H]2COC(=O)N2)C MCULE-1903504698 [0,0,0,0,2,0|2,0,0]=4 45 B15R2.41345 CC1=CC(=CC(=C1)[C@@H]2COC(=O)N2)C MCULE-3376649222 [0,0,0,0,2,0|2,0,0]=4 46 B15R2.41345 CC1=CC(=CC(=C1)[C@H]2CNC(=O)N2)C MCULE-5581291543 [0,0,0,0,2,0|1,0,0]=3 47 B15R2.41345 CC1=CC(=CC(=C1)[C@H]2COC(=O)N2)C MCULE-3166898708 [0,0,0,0,2,0|2,0,0]=4 48 B15R2.41345 CC1=CC(=CC(=C1)[C@H]2COC(=O)N2)C MCULE-7542910654 [0,0,0,0,2,0|2,0,0]=4