0 B18R3.172737 COC1=CC2=C(C=C1)C3=C(N2)C(=NC=C3)C MCULE-1526029133 [0,0,0,0,0,0|0,0,2]=2 1 B18R3.172737 COC1=CC2=C(C=C1)C3=C(N2)C(=NC=C3)C MCULE-9544425288 [0,0,0,0,0,0|0,0,2]=2 2 B18R3.172737 COC1=CC2=C(C=C1)C3=C(N2)C(=NCC3)C MCULE-3197159122 [0,0,0,0,0,0|0,0,0]=0 3 B18R3.172737 COC1=CC2=C(C=C1)C3=C(N2)C(=O)CCC3 MCULE-8248386598 [0,0,0,0,0,0|2,0,0]=2 4 B18R3.172737 COC1=CC2=C(C=C1)N3CCN=C(C3=C2)N MCULE-5896912729 [0,0,0,0,0,0|3,0,0]=3 5 B18R3.172737 COC1=CC2=C(C=C1)N3CCN=C(C3=C2)[NH3+] MCULE-5900020665 [0,0,0,0,0,0|3,0,0]=3 6 B18R3.172737 COC1=CC2=NC3=C(NC=CC3=C2C=C1)C MCULE-1929509850 [0,0,0,0,0,0|0,0,4]=4 7 B18R3.172737 COC1=CC2=NC3=C(NC=CC3=C2C=C1)C MCULE-9187182637 [0,0,0,0,0,0|0,0,4]=4 8 B18R3.172737 COC1=CC2=NC3=C(NCCC3=C2C=C1)C MCULE-3195811704 [0,0,0,0,0,0|0,0,2]=2 9 B18R3.172737 COC1=CC=C2C(=C1)NC3=C2CCN=C3C MCULE-3884212171 [0,0,0,0,0,0|0,0,0]=0 10 B18R3.172737 COC1=CC=C2C(=C1)NC3=C2CCNC3C MCULE-3585446984 [0,0,0,0,0,0|0,0,2]=2 11 B18R3.172737 COC1=CC=C2C(=C1)NC3=C2N=CN=C3Cl MCULE-7257329338 [0,0,0,0,0,0|2,0,1]=3 12 B18R3.172737 COC1=CC=C2C(=C1)NC3=C2N=CN=C3O MCULE-6296086771 [0,0,0,0,0,0|2,0,1]=3 13 B17R3.1577 COC1=CC2=C(C=C1)C3=C(N2)CCCC3 MCULE-9872404632 [1,0,0,0,0,0|1,0,1]=3 14 B17R3.1577 COC1=CC2=C(C=C1)C3=C(N2)CCNC3 MCULE-6338071905 [1,0,0,0,0,0|2,0,1]=4 15 B17R3.1577 COC1=CC=C2C(=C1)NC3=C2C=CC=C3 MCULE-7608124863 [1,0,0,0,0,0|1,0,2]=4 16 B17R3.1577 COC1=CC=C2C(=C1)NC3=C2CNCC3 MCULE-7409444907 [1,0,0,0,0,0|2,0,1]=4 17 B17R3.30495 CC1=C2NC3=C(C2=CC=N1)C=CC(=C3)O MCULE-4264809349 [1,0,0,0,0,0|0,0,2]=3 18 B17R3.30495 CC1=CC2=C(C=C1)C3=C(N2)C(=CC=C3)C MCULE-8797130966 [1,0,0,0,0,0|1,0,2]=4 19 B17R3.30495 CC1=NC=CC2=C1NC3=C2C=CC(=C3)O MCULE-1541330566 [1,0,0,0,0,0|0,0,2]=3 20 B17R3.30495 CC1=NCCC2=C1NC3=C2C=CC(=C3)O MCULE-8238716435 [1,0,0,0,0,0|0,0,0]=1 21 B17R3.30495 CC1=NCCC2=C1NC3=C2C=CC(=C3)O MCULE-9209015476 [1,0,0,0,0,0|0,0,0]=1 22 B17R3.30495 NC1=CC=C2C(=C1)NC3=C2CCCC3=O MCULE-8110119914 [1,0,0,0,0,0|3,0,0]=4 23 B17R3.30495 O=C1CCCC2=C1NC3=C2C=CC(=C3)Br MCULE-1071852663 [1,0,0,0,0,0|3,0,0]=4 24 B17R2.1950 COC1=CC=C(C(=C1)N)C2=CC=CC(=C2)C MCULE-7207287943 [0,0,1,0,0,0|1,0,2]=4 25 B17R2.2679 COC1=CC=CC(=C1)NC2=C(C=CC=C2)C MCULE-9556136316 [0,0,1,0,0,0|1,0,2]=4 26 B17R2.49948 CCOC(=O)C1=CC2=C(N1)C=C(N=C2)OC MCULE-6442942526 [0,0,1,0,0,0|3,0,0]=4 27 B17R2.49948 CCOC(=O)C1=CC2=C(O1)C=C(C=C2)OC MCULE-5104004866 [0,0,1,0,0,0|3,0,0]=4 28 B17R2.49948 CCOC(=O)C1=CC2=CC=C(C=C2N1)OC MCULE-8764208696 [0,0,1,0,0,0|2,0,0]=3 29 B17R2.49948 CCOC(=O)C1=CC2=NC=C(C=C2N1)OC MCULE-8088636215 [0,0,1,0,0,0|3,0,0]=4 30 B17R2.413024 COC(=O)C1=C(C2=C(N1)C=C(C=C2)OC)N MCULE-6118397515 [0,0,1,0,0,0|3,0,0]=4 31 B17R2.413024 COC(=O)C1=C(C2=CC=C(C=C2N1)OC)I MCULE-9930494841 [0,0,1,0,0,0|3,0,0]=4 32 B17R2.413024 COC(=O)C1=C(C2=CC=C(C=C2O1)OC)C MCULE-9981747962 [0,0,1,0,0,0|3,0,0]=4 33 B17R2.413024 COC(=O)C1=C(C2=CC=C(C=C2S1)OC)C MCULE-5055728764 [0,0,1,0,0,0|3,0,0]=4 34 B16R2.47 COC1=CC=C(C=C1)C2=CC=NC=C2N MCULE-8897016365 [1,0,1,0,0,0|0,0,2]=4 35 B16R2.23 COC1=CC=CC(=C1)NC2=CC=CN=C2 MCULE-8373394102 [1,0,1,0,0,0|0,0,2]=4 36 B16R2.39460 COC1=CC2=C(C=C1)C(=C(N2)C(=O)O)C MCULE-8943229705 [1,0,1,0,0,0|2,0,0]=4 37 B16R2.39460 COC1=CC=C2C(=C1)OC(=C2C)C(=O)C MCULE-8400185373 [1,0,1,0,0,0|2,0,0]=4 38 B16R2.755 CCOC(=O)C1=CC2=C(N1)C=C(C=C2)O MCULE-9994757425 [1,0,1,0,0,0|2,0,0]=4 39 B16R2.755 CCOC(=O)C1=CC2=CC=C(C=C2N1)C MCULE-8696887745 [1,0,1,0,0,0|2,0,0]=4 40 B16R2.7604 CNC(=O)C1=CC2=C(N1)C=C(C=C2)OC MCULE-7362698925 [1,0,1,0,0,0|1,0,1]=4 41 B16R2.7604 COC(=O)C1=CC2=CC=C(C=C2N1)OC MCULE-7276860851 [1,0,1,0,0,0|2,0,0]=4 42 B16R2.30442 COC1=CC2=C(C=C1)C(=CN2)CCCN MCULE-5008584714 [1,0,1,0,0,0|1,0,1]=4 43 B16R3.3329 CC1=NC=CC2=C1NC3=C2C=CC=C3 MCULE-5624408480 [2,0,0,0,0,0|0,0,2]=4 44 B16R3.3329 CC1=NC=CC2=C1NC3=CC=CC=C23 MCULE-7967173312 [2,0,0,0,0,0|0,0,2]=4 45 B16R3.3329 CC1=NCCC2=C1NC3=C2C=CC=C3 MCULE-2765797747 [2,0,0,0,0,0|0,0,0]=2 46 B16R3.3329 CC1=NCCN2C1=CC3=CC=CC=C23 MCULE-3434069120 [2,0,0,0,0,0|2,0,0]=4 47 B16R3.3329 CC1NCCC2=C1NC3=C2C=CC=C3 MCULE-3839421650 [2,0,0,0,0,0|0,0,2]=4 48 B16R3.3329 CC1NCCC2=C1NC3=CC=CC=C23 MCULE-3287499983 [2,0,0,0,0,0|0,0,2]=4 49 B16R3.3329 O=C1CCCC2=C1NC3=C2C=CC=C3 MCULE-8165438115 [2,0,0,0,0,0|2,0,0]=4 50 B16R3.3329 O=C1NCCC2=C1NC3=C2C=CC=C3 MCULE-9673359265 [2,0,0,0,0,0|1,0,1]=4 51 B18R2.81877 CCOC(=O)C1=C(C2=C(N1)C=C(C=C2)OC)N MCULE-8036280040 [0,1,1,0,0,0|2,0,0]=4 52 B18R2.81877 CCOC(=O)C1=C(C2=CC=C(C=C2N1)OC)C MCULE-4679833438 [0,1,1,0,0,0|2,0,0]=4 53 B18R2.374484 CCOC(=O)C1=CC2=C(N1)C=C(C=C2)OCC MCULE-7908627514 [0,1,1,0,0,0|2,0,0]=4 54 B18R2.3110 COC(=O)CCC1=CNC2=C1C=CC(=C2)OC MCULE-7007251029 [0,1,1,0,0,0|2,0,0]=4 55 B20R3.521119 CCN1C2=CC(=CC=C2C3=C1C(=O)CCC3)OC MCULE-2866135395 [0,2,0,0,0,0|2,0,0]=4 56 B18R3.1397905 COC1=CC2=C(C=C1)NC3=C2CCN=C3C MCULE-7078009868 [0,0,1,1,0,0|2,0,0]=4 57 B20R4.256050 O=C1CCCC2=C1NC3=CC4=C(C=C23)OCO4 MCULE-5229173511 [0,1,0,1,0,0|2,0,0]=4 58 B16R2.3111 COC1=CC=C(C=C1)C2=C(N(N=C2)C)N MCULE-6140798885 [0,0,1,0,1,0|1,0,1]=4 59 B16R2.3111 COC1=CC=C(C=C1)C2=C(N(N=N2)C)N MCULE-3168359892 [0,0,1,0,1,0|2,0,0]=4 60 B18R3.174330 COC1=CC2=C(C=C1)NC3=C2C(=O)CCC3 MCULE-9324683121 [0,0,0,0,1,1|2,0,0]=4