0 B19R2.296928 COC1=CC=C2NC(=C(C2=C1)CCNC(=O)C)Br MCULE-8845379004 [0,0,0,0,0,0|1,0,1]=2 1 B19R2.296928 COC1=CC=C2NC(=C(C2=C1)CCNC(=O)C)I MCULE-4835944162 [0,0,0,0,0,0|1,0,1]=2 2 B19R2.296928 COC1=CC=C2NC(=C(C2=C1)CCNC(=O)C)O MCULE-9178007419 [0,0,0,0,0,0|0,0,2]=2 3 B18R2.120971 CCC1=CC=C2SC=C(C2=C1)CCNC(=O)C MCULE-3758918719 [1,0,0,0,0,0|2,0,1]=4 4 B18R2.120971 COC1=CC2=C(C=C1)NC=C2CCCC(=O)O MCULE-6433041137 [1,0,0,0,0,0|2,0,1]=4 5 B18R2.120971 COC1=CC2=C(C=C1)NC=C2CCNC(=N)N MCULE-8622954894 [1,0,0,0,0,0|2,0,1]=4 6 B18R2.120971 COC1=CC2=C(C=C1)NC=C2CCNC(=N)N MCULE-9015984521 [1,0,0,0,0,0|2,0,1]=4 7 B18R2.120971 COC1=CC2=C(C=C1)NC=C2CCNC(=O)C MCULE-1497884152 [1,0,0,0,0,0|0,0,1]=2 8 B18R2.120971 COC1=CC2=C(C=C1)NC=C2CCNC(=O)N MCULE-9090970902 [1,0,0,0,0,0|1,0,1]=3 9 B18R2.120971 COC1=CC2=C(C=C1)NC=C2CCNC(C)C MCULE-1187711668 [1,0,0,0,0,0|1,0,2]=4 10 B18R2.120971 COC1=CC2=C(C=C1)NC=C2CCNC(C)C MCULE-6372151765 [1,0,0,0,0,0|1,0,2]=4 11 B18R2.120971 COC1=CC=C2NC=C(C2=C1)CCNC(=N)N MCULE-3412630137 [1,0,0,0,0,0|2,0,1]=4 12 B20R2.2361755 CNC(=S)NCCC1=C(NC2=C1C=C(C=C2)OC)C MCULE-3137062370 [0,1,0,0,0,0|1,1,1]=4 13 B20R2.2361755 COC1=CC2=C(C=C1)NC(=C2CCNC(=O)CCl)C MCULE-3575329754 [0,1,0,0,0,0|1,0,1]=3 14 B18R1.179 COC1=CC=C(C=C1)NC(=S)NCCNC(=O)C MCULE-6155597008 [0,0,1,0,0,0|1,1,0]=3 15 B20R2.1645920 COC1=CC2=C(C=C(C=C2C=C1)O)CCNC(=O)C MCULE-8991304121 [0,0,0,0,0,1|1,0,2]=4 16 B17R1.6501 CC#CCCCC(=O)NC1=CC=C(C=C1)OC MCULE-8740085369 [1,0,1,0,0,0|1,0,1]=4 17 B17R1.6732 COC1=CC=C(C(=C1)C(=O)CCNC(=O)C)N MCULE-3205582070 [1,0,1,0,0,0|0,0,1]=3 18 B17R1.6732 COC1=CC=C(C(=C1)C(=O)CCNC(=O)C)N MCULE-5184710694 [1,0,1,0,0,0|0,0,1]=3 19 B17R2.25462 CC(=O)NCCC1=CNC2=C1C=C(C=C2)C MCULE-7874779669 [2,0,0,0,0,0|0,0,1]=3 20 B17R2.25462 CC(=O)NCCC1=CNC2=C1C=C(C=C2)F MCULE-9702651152 [2,0,0,0,0,0|1,0,1]=4 21 B17R2.25462 CC(=O)NCCC1=CNC2=C1C=C(C=C2)N MCULE-6046660193 [2,0,0,0,0,0|1,0,1]=4 22 B17R2.25462 CC(=O)NCCC1=CNC2=C1C=C(C=C2)O MCULE-4114943625 [2,0,0,0,0,0|0,0,1]=3 23 B17R2.25462 CC(=O)NCCC1=CNC2=CC=C(C=C12)Cl MCULE-8524378306 [2,0,0,0,0,0|1,0,1]=4 24 B17R2.1231010 COC1=CC2=C(C=C1)NC=C2CCNC=O MCULE-9732735780 [2,0,0,0,0,0|0,0,1]=3 25 B17R2.5025 CC(=O)NCCC1=C(NC2=C1C=CC=C2)Br MCULE-2178569993 [2,0,0,0,0,0|1,0,1]=4 26 B17R2.5025 CC(=O)NCCC1=C(NC2=CC=CC=C12)C MCULE-1737840553 [2,0,0,0,0,0|1,0,1]=4 27 B17R2.5025 O=C(O)CCCC1C(=O)NC2=C1C=CC=C2 MCULE-4525802423 [2,0,0,0,0,0|2,0,0]=4 28 B17R2.341326 CNCCC1=C(NC2=C1C=C(C=C2)OC)C MCULE-8558500420 [2,0,0,0,0,0|1,0,1]=4 29 B17R2.341326 CNCCC1=C(NC2=C1C=C(C=C2)OC)C MCULE-9490685032 [2,0,0,0,0,0|1,0,1]=4 30 B19R1.127 COC1=CC=C(C=C1)NC(=O)CC(=NNC(=O)C)C MCULE-5427805322 [0,1,1,0,0,0|1,0,1]=4 31 B19R1.4271 COC1=C(C=C(C=C1)NC(=S)NCCNC(=O)C)Cl MCULE-3506657175 [0,1,1,0,0,0|1,1,0]=4 32 B19R1.26408 CC(=O)NCCCC(=O)NC1=CC=C(C=C1)N(=O)=O MCULE-4687887095 [0,1,1,0,0,0|2,0,0]=4 33 B19R1.150625 COC1=CC=C(C(=C1)C(=O)CCNC(=O)C)NC=O MCULE-9446035229 [0,1,1,0,0,0|0,0,1]=3 34 B19R2.195242 COC1=CC2=C(C=C1)NC=C2CCNS(=O)(=O)C MCULE-6206385471 [1,1,0,0,0,0|1,0,1]=4 35 B19R2.1606290 COC1=CC2=C(C=C1Cl)NC=C2CCNC(=O)C MCULE-6641400206 [1,1,0,0,0,0|0,0,1]=3 36 B19R2.1606290 COC1=CC2=C(C=C1O)NC=C2CCNC(=O)C MCULE-7431346677 [1,1,0,0,0,0|0,0,1]=3 37 B19R2.1645485 C=CC(=O)NCCC1=CNC2=C1C=C(C=C2)OC MCULE-9630822678 [1,1,0,0,0,0|0,0,2]=4 38 B19R2.1645485 CCC(=O)NCCC1=CNC2=CC=C(C=C12)OC MCULE-5127778268 [1,1,0,0,0,0|0,0,1]=3 39 B19R2.1645485 CNC(=O)NCCC1=CNC2=C1C=C(C=C2)OC MCULE-7977300330 [1,1,0,0,0,0|0,0,1]=3 40 B19R2.1645485 CNC(=S)NCCC1=CNC2=C1C=C(C=C2)OC MCULE-7374328716 [1,1,0,0,0,0|0,1,1]=4 41 B19R2.1645485 COC(=O)NCCC1=CNC2=C1C=C(C=C2)OC MCULE-3623816185 [1,1,0,0,0,0|0,0,1]=3 42 B19R2.1645485 COC1=CC2=C(C=C1)NC=C2CCNC(=O)CCl MCULE-6749760943 [1,1,0,0,0,0|0,0,1]=3 43 B19R2.1645485 COC1=CC=C2NC=C(C2=C1)CCNC(=O)CN MCULE-4462085234 [1,1,0,0,0,0|0,0,1]=3 44 B19R2.1645485 COC1=CC=C2NC=C(C2=C1)CCNC(=O)CN MCULE-8963075267 [1,1,0,0,0,0|0,0,1]=3 45 B21R2.2670881 COC1=CC2=C(C=C1)NC(=C2CCNC(=O)C)C(=O)[O-] MCULE-6004843127 [0,2,0,0,0,0|0,0,1]=3 46 B21R2.2670881 COC1=CC=C2NC(=C(C2=C1)CCNC(=O)C)C(=O)O MCULE-9263895010 [0,2,0,0,0,0|0,0,1]=3 47 B19R2.4906 COC1=CC=C(C=C1)NC2CCCN(C2)C(=O)C MCULE-3933035445 [0,0,1,1,0,0|1,0,1]=4 48 B19R2.1486576 COC1=CC=C2NC(=O)C(CC2=C1)CCC(=O)O MCULE-7317236412 [0,0,1,1,0,0|2,0,0]=4 49 B19R3.309846 COC1=CC=C2NC=C(C2=C1)[C@@H]3CNC(=O)N3 MCULE-2474753942 [1,0,0,1,0,0|1,0,1]=4 50 B19R3.309846 COC1=CC=C2NC=C(C2=C1)[C@H]3CNC(=O)N3 MCULE-1721372163 [1,0,0,1,0,0|1,0,1]=4 51 B19R3.13212723 COC1=CC2=C(C=C1)NC(=O)C23CCNCC3 MCULE-4827748039 [1,0,0,1,0,0|0,0,1]=3 52 B19R3.13212723 COC1=CC2=C(C=C1)NC(=O)C23CCOCC3 MCULE-7254816090 [1,0,0,1,0,0|1,0,1]=4 53 B19R3.13212723 COC1=CC=C2NC(=O)C3(C2=C1)CCNCC3 MCULE-7596398368 [1,0,0,1,0,0|0,0,1]=3 54 B17R1.196 COC1=CC=C(C=C1)NC(=O)CCCC(=O)O MCULE-3551683770 [0,0,1,0,1,0|1,0,0]=3 55 B17R1.196 COC1=CC=C(C=C1)NC(=O)COCC(=O)O MCULE-1663012478 [0,0,1,0,1,0|2,0,0]=4 56 B17R1.196 COC1=CC=C(C=C1)NC(=O)CSCC(=O)N MCULE-1645339304 [0,0,1,0,1,0|2,0,0]=4 57 B17R1.196 COC1=CC=C(C=C1)NC(=O)CSCC(=O)O MCULE-3035185144 [0,0,1,0,1,0|2,0,0]=4 58 B17R1.196 COC1=CC=C(C=C1)NC(=O)NCCC(=O)O MCULE-8190052295 [0,0,1,0,1,0|2,0,0]=4 59 B17R1.239 COC1=CC=C(C=C1)C(=O)CCCCC(=O)O MCULE-8192823409 [0,0,1,0,1,0|2,0,0]=4 60 B17R2.73242 COC1=CC2=C(C=C1)NC=C2CCC(=O)N MCULE-2995423359 [1,0,0,0,1,0|1,0,1]=4 61 B17R2.73242 COC1=CC=C2NC=C(C2=C1)CCC(=O)O MCULE-1797370196 [1,0,0,0,1,0|1,0,1]=4 62 B17R2.11798 CCC1=CC=C2NC(=O)C(C2=C1)NC(=O)C MCULE-6950480421 [0,0,0,0,2,0|1,0,0]=3 63 B17R2.11798 COC1=CC=C2NC(=O)C(C2=C1)CC(=O)O MCULE-1656021598 [0,0,0,0,2,0|1,0,0]=3