0 B16R2.2829 CC(CC1=NN=C(S1)N)C2=CC=CC=C2 MCULE-9732168379 [0,0,0,0,0,0|3,0,1]=4 1 B16R2.2829 CC(CN1C=C(C=N1)N)C2=CC=CC=C2 MCULE-6105411288 [0,0,0,0,0,0|4,0,0]=4 2 B16R2.2829 CC(CN1C=CC(=N1)N)C2=CC=CC=C2 MCULE-2438529314 [0,0,0,0,0,0|2,0,1]=3 3 B15R2.283 NC1=CC(=NO1)CCC2=CC=CC=C2 MCULE-2581461020 [1,0,0,0,0,0|2,0,1]=4 4 B15R2.283 NC1=NN(C=C1)CCC2=CC=CC=C2 MCULE-5871082720 [1,0,0,0,0,0|2,0,1]=4 5 B15R2.283 NC1=NN(C=N1)CCC2=CC=CC=C2 MCULE-4162033220 [1,0,0,0,0,0|2,0,1]=4 6 B15R2.283 NC1=NNC(=N1)CCC2=CC=CC=C2 MCULE-4683200245 [1,0,0,0,0,0|2,0,1]=4 7 B15R2.283 O=C1NC(CO1)CCC2=CC=CC=C2 MCULE-6273263074 [1,0,0,0,0,0|1,0,1]=3 8 B15R2.1259 CC(CC1CCNC1)C2=CC=CC=C2 MCULE-9793756317 [1,0,0,0,0,0|2,0,1]=4 9 B15R2.1259 CC(OC1CCOC1)C2=CC=CC=C2 MCULE-7286093460 [1,0,0,0,0,0|2,0,1]=4 10 B17R2.6039 CCN(CC1COC(=N1)N)C2=CC=CC=C2 MCULE-7458195920 [0,1,0,0,0,0|1,0,0]=2 11 B17R2.6039 CCN(C[C@H]1COC(=N1)N)C2=CC=CC=C2 MCULE-1357122464 [0,1,0,0,0,0|1,0,0]=2 12 B17R2.6039 CCN(C[C@H]1COC(=N1)N)C2=CC=CC=C2 MCULE-1365722218 [0,1,0,0,0,0|1,0,0]=2 13 B17R2.6039 CCN(C[C@H]1COC(=N1)N)C2=CC=CC=C2 MCULE-3774555955 [0,1,0,0,0,0|1,0,0]=2 14 B17R2.6039 CCN(C[C@H]1COC(=N1)N)C2=CC=CC=C2 MCULE-5212701672 [0,1,0,0,0,0|1,0,0]=2 15 B17R2.6039 CCN(C[C@H]1COC(=N1)N)C2=CC=CC=C2 MCULE-5882510049 [0,1,0,0,0,0|1,0,0]=2 16 B17R2.6039 CC[C@@H](C[C@H]1COC(=N1)N)C2=CC=CC=C2 MCULE-4475307468 [0,1,0,0,0,0|0,0,0]=1 17 B17R2.6039 CC[C@@H](C[C@H]1COC(=N1)N)C2=CC=CC=C2 MCULE-6794726144 [0,1,0,0,0,0|0,0,0]=1 18 B15R1.959 COC(=O)CCCC(Br)C1=CC=CC=C1 MCULE-9846498477 [0,0,1,0,0,0|3,0,0]=4 19 B15R1.959 COC(=O)CCNC(C)C1=CC=CC=C1 MCULE-5727976612 [0,0,1,0,0,0|3,0,0]=4 20 B15R1.959 COC(=O)CCNC(C)C1=CC=CC=C1 MCULE-8543080159 [0,0,1,0,0,0|3,0,0]=4 21 B15R1.1076 CC(CC(=O)O)NC(C)C1=CC=CC=C1 MCULE-2852133153 [0,0,1,0,0,0|3,0,0]=4 22 B15R2.297 CC(C1=CC=CC=C1)N2C=CC(=N2)N MCULE-4467092319 [0,0,0,0,1,0|2,0,1]=4 23 B15R2.297 CC1=NC(=NO1)C(C)C2=CC=CC=C2 MCULE-6197964659 [0,0,0,0,1,0|2,0,1]=4 24 B14R1.422 N=C(N)CCCOCC1=CC=CC=C1 MCULE-4310995221 [1,0,1,0,0,0|2,0,0]=4 25 B14R1.422 N=C(N)CCCOCC1=CC=CC=C1 MCULE-7588777175 [1,0,1,0,0,0|2,0,0]=4 26 B14R1.422 N=C(N)NCCCCC1=CC=CC=C1 MCULE-1462524594 [1,0,1,0,0,0|1,0,0]=3 27 B14R1.422 N=C(N)NCCCCC1=CC=CC=C1 MCULE-6636408352 [1,0,1,0,0,0|1,0,0]=3 28 B14R1.422 N=C(N)NCCCOC1=CC=CC=C1 MCULE-3372382987 [1,0,1,0,0,0|2,0,0]=4 29 B14R1.422 N=C(N)NCCCOC1=CC=CC=C1 MCULE-6532884205 [1,0,1,0,0,0|2,0,0]=4 30 B14R1.422 N=C(N)NCCCOC1=CC=CC=C1 MCULE-7399698669 [1,0,1,0,0,0|2,0,0]=4 31 B14R1.422 N=C(N)SCCCOC1=CC=CC=C1 MCULE-5591720381 [1,0,1,0,0,0|1,1,0]=4 32 B14R1.422 N=C(N)SCCCOC1=CC=CC=C1 MCULE-8064920254 [1,0,1,0,0,0|1,1,0]=4 33 B14R1.420 CC(CCCC(=O)O)C1=CC=CC=C1 MCULE-7532695944 [1,0,1,0,0,0|2,0,0]=4 34 B14R1.420 CC(CCNC(=O)N)C1=CC=CC=C1 MCULE-1250304699 [1,0,1,0,0,0|0,0,2]=4 35 B14R1.420 CC(CCSC(=N)N)C1=CC=CC=C1 MCULE-3372260516 [1,0,1,0,0,0|2,0,0]=4 36 B14R1.716 COC(=O)CCCCC1=CC=CC=C1 MCULE-3768861727 [1,0,1,0,0,0|2,0,0]=4 37 B14R1.818 CC(CCC1=CC=CC=C1)CC(=O)O MCULE-1602400546 [1,0,1,0,0,0|2,0,0]=4 38 B14R1.818 CC(CCC1=CC=CC=C1)NC(=N)N MCULE-9773716893 [1,0,1,0,0,0|1,0,1]=4 39 B16R2.137 O=C1NC(CO1)CCC2=CC=C(C=C2)F MCULE-7618325601 [1,1,0,0,0,0|1,0,1]=4 40 B14R1.163 COC(=O)CCC(N)C1=CC=CC=C1 MCULE-1668050409 [0,0,1,0,1,0|2,0,0]=4 41 B14R1.163 COC(=O)CCC(N)C1=CC=CC=C1 MCULE-4492355742 [0,0,1,0,1,0|2,0,0]=4 42 B14R1.163 COC(=O)CNC(C)C1=CC=CC=C1 MCULE-4992886367 [0,0,1,0,1,0|2,0,0]=4 43 B14R1.163 COC(=O)CN[C@@H](C)C1=CC=CC=C1 MCULE-1097339984 [0,0,1,0,1,0|2,0,0]=4 44 B14R1.163 COC(=O)CN[C@@H](C)C1=CC=CC=C1 MCULE-4580257085 [0,0,1,0,1,0|2,0,0]=4 45 B14R1.415 CC(CN(C)C1=CC=CC=C1)C(=O)O MCULE-5170572205 [0,0,1,0,1,0|2,0,0]=4 46 B14R1.415 CC(C[C@H](N)C(=O)O)C1=CC=CC=C1 MCULE-5024809530 [0,0,1,0,1,0|2,0,0]=4 47 B14R1.417 CC(CC(=O)O)C(C)C1=CC=CC=C1 MCULE-3172279563 [0,0,1,0,1,0|2,0,0]=4 48 B14R2.19 C1(COC(=O)N1)CC2=CC=CC=C2 MCULE-6384020066 [1,0,0,0,1,0|1,0,1]=4 49 B14R2.19 CC1=NC(CO1)CC2=CC=CC=C2 MCULE-3250214698 [1,0,0,0,1,0|1,0,0]=3 50 B14R2.19 O=C1CC(CO1)CC2=CC=CC=C2 MCULE-9460252061 [1,0,0,0,1,0|2,0,0]=4 51 B14R2.19 O=C1NC(CO1)CC2=CC=CC=C2 MCULE-4264667095 [1,0,0,0,1,0|1,0,1]=4 52 B14R2.19 O=C1N[C@@H](CO1)CC2=CC=CC=C2 MCULE-3460265096 [1,0,0,0,1,0|1,0,1]=4 53 B14R2.19 O=C1N[C@@H](CO1)CC2=CC=CC=C2 MCULE-6526627804 [1,0,0,0,1,0|1,0,1]=4 54 B14R2.19 O=C1N[C@H](CO1)CC2=CC=CC=C2 MCULE-3967061410 [1,0,0,0,1,0|1,0,1]=4 55 B14R2.19 O=C1N[C@H](CO1)CC2=CC=CC=C2 MCULE-5839079000 [1,0,0,0,1,0|1,0,1]=4 56 B14R2.19 S=C1NC(CO1)CC2=CC=CC=C2 MCULE-6218653245 [1,0,0,0,1,0|1,0,1]=4 57 B14R2.19 S=C1N[C@@H](CO1)CC2=CC=CC=C2 MCULE-4499729230 [1,0,0,0,1,0|1,0,1]=4 58 B14R2.19 S=C1N[C@@H](CO1)CC2=CC=CC=C2 MCULE-9338198213 [1,0,0,0,1,0|1,0,1]=4 59 B14R2.19 S=C1N[C@H](CO1)CC2=CC=CC=C2 MCULE-1603030546 [1,0,0,0,1,0|1,0,1]=4 60 B14R2.19 S=C1N[C@H](CO1)CC2=CC=CC=C2 MCULE-7423242801 [1,0,0,0,1,0|1,0,1]=4 61 B16R2.2832 O=C1OCC(O1)COCC2=CC=CC=C2 MCULE-3408027573 [1,0,0,0,0,1|2,0,0]=4