0 B19R2.296928 COC1=CC=C2NC(=C(C2=C1)CCNC(=O)C)Br MCULE-8845379004 [0,0,0,0,0,0|0,1,0]=1 1 B19R2.296928 COC1=CC=C2NC(=C(C2=C1)CCNC(=O)C)I MCULE-4835944162 [0,0,0,0,0,0|0,0,0]=0 2 B19R2.296928 COC1=CC=C2NC(=C(C2=C1)CCNC(=O)C)O MCULE-9178007419 [0,0,0,0,0,0|1,0,0]=1 3 B18R2.120971 CCC1=CC=C2SC=C(C2=C1)CCNC(=O)C MCULE-3758918719 [1,0,0,0,0,0|2,0,0]=3 4 B18R2.120971 COC1=CC2=C(C=C1)NC=C2CCCC(=O)O MCULE-6433041137 [1,0,0,0,0,0|2,0,0]=3 5 B18R2.120971 COC1=CC2=C(C=C1)NC=C2CCNC(=N)N MCULE-8622954894 [1,0,0,0,0,0|2,0,0]=3 6 B18R2.120971 COC1=CC2=C(C=C1)NC=C2CCNC(=N)N MCULE-9015984521 [1,0,0,0,0,0|2,0,0]=3 7 B18R2.120971 COC1=CC2=C(C=C1)NC=C2CCNC(=O)C MCULE-1497884152 [1,0,0,0,0,0|0,0,0]=1 8 B18R2.120971 COC1=CC2=C(C=C1)NC=C2CCNC(=O)N MCULE-9090970902 [1,0,0,0,0,0|1,0,0]=2 9 B18R2.120971 COC1=CC2=C(C=C1)NC=C2CCNC(C)C MCULE-1187711668 [1,0,0,0,0,0|1,0,1]=3 10 B18R2.120971 COC1=CC2=C(C=C1)NC=C2CCNC(C)C MCULE-6372151765 [1,0,0,0,0,0|1,0,1]=3 11 B18R2.120971 COC1=CC2=C(C=C1)NC=C2CCSC(=N)N MCULE-7990269939 [1,0,0,0,0,0|3,0,0]=4 12 B18R2.120971 COC1=CC2=C(C=C1)NC=C2CCSC(=N)N MCULE-8644135623 [1,0,0,0,0,0|3,0,0]=4 13 B18R2.120971 COC1=CC=C2NC=C(C2=C1)CCNC(=N)N MCULE-3412630137 [1,0,0,0,0,0|2,0,0]=3 14 B20R2.2361755 CNC(=S)NCCC1=C(NC2=C1C=C(C=C2)OC)C MCULE-3137062370 [0,1,0,0,0,0|1,1,0]=3 15 B20R2.2361755 COC1=CC2=C(C=C1)NC(=C2CCNC(=O)CCl)C MCULE-3575329754 [0,1,0,0,0,0|1,0,0]=2 16 B18R1.179 COC1=CC=C(C=C1)NC(=S)NCCNC(=O)C MCULE-6155597008 [0,0,1,0,0,0|2,0,0]=3 17 B18R2.173884 COC1=CC=C2NC(=C(C2=C1)CCN(C)C)C MCULE-9784764268 [0,0,0,0,1,0|3,0,0]=4 18 B20R2.1645920 COC1=CC2=C(C=C(C=C2C=C1)O)CCNC(=O)C MCULE-8991304121 [0,0,0,0,0,1|2,0,0]=3 19 B17R1.6732 COC1=CC=C(C(=C1)C(=O)CCNC(=O)C)N MCULE-3205582070 [1,0,1,0,0,0|1,0,0]=3 20 B17R1.6732 COC1=CC=C(C(=C1)C(=O)CCNC(=O)C)N MCULE-5184710694 [1,0,1,0,0,0|1,0,0]=3 21 B17R2.25462 CC(=O)NCCC1=CNC2=C1C=C(C=C2)C MCULE-7874779669 [2,0,0,0,0,0|0,0,0]=2 22 B17R2.25462 CC(=O)NCCC1=CNC2=C1C=C(C=C2)F MCULE-9702651152 [2,0,0,0,0,0|1,0,0]=3 23 B17R2.25462 CC(=O)NCCC1=CNC2=C1C=C(C=C2)N MCULE-6046660193 [2,0,0,0,0,0|1,0,0]=3 24 B17R2.25462 CC(=O)NCCC1=CNC2=C1C=C(C=C2)O MCULE-4114943625 [2,0,0,0,0,0|0,0,0]=2 25 B17R2.25462 CC(=O)NCCC1=CNC2=CC=C(C=C12)Cl MCULE-8524378306 [2,0,0,0,0,0|1,0,0]=3 26 B17R2.25462 NC(=O)NCCC1=CNC2=CC=C(C=C12)F MCULE-7766562592 [2,0,0,0,0,0|2,0,0]=4 27 B17R2.1231010 COC1=CC2=C(C=C1)NC=C2CCNC=O MCULE-9732735780 [2,0,0,0,0,0|0,0,0]=2 28 B17R2.5025 CC(=O)NCCC1=C(NC2=C1C=CC=C2)Br MCULE-2178569993 [2,0,0,0,0,0|0,1,0]=3 29 B17R2.5025 CC(=O)NCCC1=C(NC2=CC=CC=C12)C MCULE-1737840553 [2,0,0,0,0,0|1,0,0]=3 30 B17R2.5025 CC1=C(C2=C(N1)C=CC=C2)CCNC(=O)N MCULE-6692108952 [2,0,0,0,0,0|2,0,0]=4 31 B17R2.341326 CNCCC1=C(NC2=C1C=C(C=C2)OC)C MCULE-8558500420 [2,0,0,0,0,0|1,0,0]=3 32 B17R2.341326 CNCCC1=C(NC2=C1C=C(C=C2)OC)C MCULE-9490685032 [2,0,0,0,0,0|1,0,0]=3 33 B19R1.4271 COC1=C(C=C(C=C1)NC(=S)NCCNC(=O)C)Cl MCULE-3506657175 [0,1,1,0,0,0|2,0,0]=4 34 B19R1.150625 COC1=CC=C(C(=C1)C(=O)CCNC(=O)C)NC=O MCULE-9446035229 [0,1,1,0,0,0|1,0,0]=3 35 B19R2.68648 CCOC1=CC=C2NC=C(C2=C1)CCNC(C)C MCULE-2631943665 [1,1,0,0,0,0|1,0,1]=4 36 B19R2.68648 CCOC1=CC=C2NC=C(C2=C1)CCNC(C)C MCULE-2887652520 [1,1,0,0,0,0|1,0,1]=4 37 B19R2.195242 COC1=CC2=C(C=C1)NC=C2CCNS(=O)(=O)C MCULE-6206385471 [1,1,0,0,0,0|1,0,0]=3 38 B19R2.1606290 COC1=CC2=C(C=C1Cl)NC=C2CCNC(=O)C MCULE-6641400206 [1,1,0,0,0,0|0,0,0]=2 39 B19R2.1606290 COC1=CC2=C(C=C1O)NC=C2CCNC(=O)C MCULE-7431346677 [1,1,0,0,0,0|0,0,0]=2 40 B19R2.1645485 C=CC(=O)NCCC1=CNC2=C1C=C(C=C2)OC MCULE-9630822678 [1,1,0,0,0,0|0,0,1]=3 41 B19R2.1645485 CCC(=O)NCCC1=CNC2=CC=C(C=C12)OC MCULE-5127778268 [1,1,0,0,0,0|0,0,0]=2 42 B19R2.1645485 CNC(=O)NCCC1=CNC2=C1C=C(C=C2)OC MCULE-7977300330 [1,1,0,0,0,0|0,0,0]=2 43 B19R2.1645485 CNC(=S)NCCC1=CNC2=C1C=C(C=C2)OC MCULE-7374328716 [1,1,0,0,0,0|0,1,0]=3 44 B19R2.1645485 COC(=O)NCCC1=CNC2=C1C=C(C=C2)OC MCULE-3623816185 [1,1,0,0,0,0|0,0,0]=2 45 B19R2.1645485 COC1=CC2=C(C=C1)NC=C2CCNC(=O)CCl MCULE-6749760943 [1,1,0,0,0,0|0,0,0]=2 46 B19R2.1645485 COC1=CC=C2NC=C(C2=C1)CCNC(=O)CN MCULE-4462085234 [1,1,0,0,0,0|0,0,0]=2 47 B19R2.1645485 COC1=CC=C2NC=C(C2=C1)CCNC(=O)CN MCULE-8963075267 [1,1,0,0,0,0|0,0,0]=2 48 B19R2.2057759 CC(=O)NCCC1=CNC2=C1C=C(C=C2)N(=O)=O MCULE-6389866207 [1,1,0,0,0,0|2,0,0]=4 49 B19R2.2087503 CNC(=S)NCCC1=C(NC2=C1C=C(C=C2)C)C MCULE-4773934493 [1,1,0,0,0,0|1,1,0]=4 50 B21R2.2670881 COC1=CC2=C(C=C1)NC(=C2CCNC(=O)C)C(=O)[O-] MCULE-6004843127 [0,2,0,0,0,0|1,0,0]=3 51 B21R2.2670881 COC1=CC=C2NC(=C(C2=C1)CCNC(=O)C)C(=O)O MCULE-9263895010 [0,2,0,0,0,0|1,0,0]=3 52 B21R2.22551767 CCNC(=S)NCCC1=C(NC2=C1C=C(C=C2)OC)C MCULE-7222827129 [0,2,0,0,0,0|1,1,0]=4 53 B19R2.27143 COC1=CC2=C(C=CC=C2C=C1)CCNC(=O)C MCULE-5632636487 [0,0,1,1,0,0|2,0,0]=4 54 B19R2.27143 COC1=CC2=C(C=CC=C2C=C1)CCNC(=O)C MCULE-9855404431 [0,0,1,1,0,0|2,0,0]=4 55 B19R2.27143 COC1=CC2=C(C=CC=C2CCNC(=O)C)C=C1 MCULE-1357672701 [0,0,1,1,0,0|2,0,0]=4 56 B19R2.27143 COC1=CC2=C(C=CC=C2CCNC(=O)C)C=C1 MCULE-3838308303 [0,0,1,1,0,0|2,0,0]=4 57 B19R3.309846 COC1=CC=C2NC=C(C2=C1)[C@@H]3CNC(=O)N3 MCULE-2474753942 [1,0,0,1,0,0|1,0,0]=3 58 B19R3.309846 COC1=CC=C2NC=C(C2=C1)[C@@H]3COC(=O)N3 MCULE-3628488278 [1,0,0,1,0,0|2,0,0]=4 59 B19R3.309846 COC1=CC=C2NC=C(C2=C1)[C@H]3CNC(=O)N3 MCULE-1721372163 [1,0,0,1,0,0|1,0,0]=3 60 B19R3.309846 COC1=CC=C2NC=C(C2=C1)[C@H]3COC(=O)N3 MCULE-5378371302 [1,0,0,1,0,0|2,0,0]=4 61 B17R2.73242 COC1=CC2=C(C=C1)NC=C2CCC(=O)N MCULE-2995423359 [1,0,0,0,1,0|1,0,0]=3 62 B17R2.73242 COC1=CC2=C(C=C1)NC=C2CCN(C)C MCULE-1161800007 [1,0,0,0,1,0|2,0,0]=4 63 B17R2.73242 COC1=CC=C2NC=C(C2=C1)CCC(=O)O MCULE-1797370196 [1,0,0,0,1,0|1,0,0]=3 64 B17R2.150937 CC1=CC2=C(C=C1)NC(=C2CCC(=O)N)C MCULE-2971610625 [1,0,0,0,1,0|2,0,0]=4 65 B17R2.150937 CC1=CC=C2NC(=C(C2=C1)CCC(=O)O)C MCULE-9716733030 [1,0,0,0,1,0|2,0,0]=4 66 B17R2.11798 COC1=CC2=C(C=C1)NC(=C2CC(=O)N)C MCULE-4934848359 [0,0,0,0,2,0|2,0,0]=4 67 B17R2.11798 COC1=CC2=C(C=C1)OC(=C2NC(=O)C)C MCULE-3024272307 [0,0,0,0,2,0|2,0,0]=4 68 B17R2.11798 COC1=CC=C2NC(=C(C2=C1)CC(=O)O)C MCULE-1767701374 [0,0,0,0,2,0|2,0,0]=4 69 B19R2.897272 CC(=O)NCCC1=CC(=CC2=C1C=C(C=C2)O)O MCULE-7429091481 [1,0,0,0,0,1|2,0,0]=4