0 B21R3.4668988 CC(=O)NN1C(=O)C2=CC=CC3=CC=CC(=C23)C1=O MCULE-9568731224 [0,0,0,0,0,0|2,0,0]=2 1 B21R3.4668988 CC(=O)ON1C(=O)C2=CC=CC3=CC=CC(=C23)C1=O MCULE-9106551403 [0,0,0,0,0,0|2,0,0]=2 2 B21R3.4668988 CC(C)CN1C(=O)C2=CC=CC3=CC=CC(=C23)C1=O MCULE-3559422155 [0,0,0,0,0,0|2,0,1]=3 3 B21R3.4668988 CC(O)CN1C(=O)C2=CC=CC3=CC=CC(=C23)C1=O MCULE-5251851129 [0,0,0,0,0,0|1,0,1]=2 4 B21R3.4668988 O=C(O)CN1C(=O)C2=CC=CC3=CC=CC(=C23)C1=O MCULE-3512139734 [0,0,0,0,0,0|0,0,0]=0 5 B21R3.4668988 O=C([O-])CN1C(=O)C2=CC=CC3=C2C(=CC=C3)C1=O MCULE-4425847965 [0,0,0,0,0,0|0,0,1]=1 6 B20R3.3487676 C=CCN1C(=O)C2=CC=CC3=C2C(=CC=C3)C1=O MCULE-9182874565 [1,0,0,0,0,0|1,0,0]=2 7 B20R3.3487676 CCCN1C(=O)C2=CC=CC3=CC=CC(=C23)C1=O MCULE-3094541808 [1,0,0,0,0,0|1,0,1]=3 8 B20R3.3487676 N#CCN1C(=O)C2=CC=CC3=CC=CC(=C23)C1=O MCULE-9308258097 [1,0,0,0,0,0|1,0,1]=3 9 B20R3.3487676 NCCN1C(=O)C2=CC=CC3=CC=CC(=C23)C1=O MCULE-7705730421 [1,0,0,0,0,0|1,0,1]=3 10 B20R3.3487676 O=C1C2=CC=CC3=CC=CC(=C23)C(=O)N1CCCl MCULE-9244796702 [1,0,0,0,0,0|1,0,1]=3 11 B20R3.3487676 O=C1C2=CC=CC3=CC=CC(=C23)C(=O)N1CCO MCULE-7110238570 [1,0,0,0,0,0|0,0,1]=2 12 B22R3.6840653 CS(=O)(=O)ON1C(=O)C2=CC=CC3=CC=CC(=C23)C1=O MCULE-7781622019 [0,1,0,0,0,0|2,0,1]=4 13 B22R3.6840654 CC(C(=O)O)N1C(=O)C2=CC=CC3=C2C(=CC=C3)C1=O MCULE-6860448247 [0,1,0,0,0,0|0,0,0]=1 14 B22R3.51079514 CC(=O)NN1C(=O)C2=CC=CC3=C(C=CC(=C23)C1=O)Br MCULE-9384450532 [0,1,0,0,0,0|2,0,0]=3 15 B22R3.51079514 CC(=O)ON1C(=O)C2=CC=CC3=C2C(=CC=C3Br)C1=O MCULE-9854517486 [0,1,0,0,0,0|2,0,0]=3 16 B22R3.99428076 COC(=O)CN1C(=O)C2=CC=CC3=CC=CC(=C23)C1=O MCULE-4024547162 [0,1,0,0,0,0|0,0,0]=1 17 B22R3.99428076 O=C(CN1C(=O)C2=CC=CC3=CC=CC(=C23)C1=O)NO MCULE-1928022089 [0,1,0,0,0,0|0,0,0]=1 18 B22R3.133776541 CC(C)CN1C(=O)C2=CC(=CC3=CC=CC(=C23)C1=O)Br MCULE-1404116944 [0,1,0,0,0,0|2,0,1]=4 19 B22R4.56850862 O=C1C2=CC=CC3=C2C(=CC=C3)C(=O)N1CC4CO4 MCULE-3868165043 [0,0,0,1,0,0|1,0,1]=3 20 B20R3.3264772 CC(=O)C1=C(C2=C3C(=CC=C2)C=CC=C3C1=O)O MCULE-7758378014 [0,0,0,0,1,0|2,0,1]=4 21 B20R3.3264772 CN(C)N1C(=O)C2=CC=CC3=CC=CC(=C23)C1=O MCULE-2979417970 [0,0,0,0,1,0|3,0,0]=4 22 B22R3.6840652 CN(C)CCN1C(=O)C2=CC=CC3=C2C(=CC=C3)C1=O MCULE-9819991159 [0,0,0,0,0,1|3,0,0]=4 23 B22R3.6840652 NC(=O)CCN1C(=O)C2=CC=CC3=CC=CC(=C23)C1=O MCULE-2045575251 [0,0,0,0,0,1|1,0,0]=2 24 B22R3.6840652 O=C(O)CCN1C(=O)C2=CC=CC3=CC=CC(=C23)C1=O MCULE-2027704348 [0,0,0,0,0,1|0,0,0]=1 25 B19R3.1986199 CCN1C(=O)C2=CC=CC3=C2C(=CC=C3)C1=O MCULE-7431087153 [2,0,0,0,0,0|0,0,1]=3 26 B19R3.1986199 CNN1C(=O)C2=CC=CC3=CC=CC(=C23)C1=O MCULE-9498157916 [2,0,0,0,0,0|1,0,1]=4 27 B19R3.1986199 O=C1C2=CC=CC3=CC=CC(=C23)C(=O)N1CO MCULE-1530673278 [2,0,0,0,0,0|0,0,0]=2 28 B21R3.8639784 CCCCN1C(=O)C2=CC=CC3=CC=CC(=C23)C1=O MCULE-7732488252 [1,1,0,0,0,0|1,0,1]=4 29 B21R3.8639784 COCCN1C(=O)C2=CC=CC3=CC=CC(=C23)C1=O MCULE-6598599630 [1,1,0,0,0,0|0,0,1]=3 30 B21R3.8639784 O=C1C2=CC=CC3=C2C(=CC=C3)C(=O)N1CCCO MCULE-3194655877 [1,1,0,0,0,0|0,0,1]=3 31 B21R3.8639784 O=C1C2=CC=CC3=CC=CC(=C23)C(=O)N1CCCCl MCULE-6548984631 [1,1,0,0,0,0|1,0,1]=4 32 B21R3.8639784 O=C1C2=CC=CC3=CC=CC(=C23)C(=O)N1NCCO MCULE-4777072575 [1,1,0,0,0,0|0,0,1]=3 33 B21R3.29740871 O=C1C2=CC(=CC3=CC=CC(=C23)C(=O)N1CCO)Br MCULE-5278018566 [1,1,0,0,0,0|0,0,1]=3 34 B21R3.29740871 O=C1C2=CC(=CC3=CC=CC(=C23)C(=O)N1CCO)O MCULE-8341960972 [1,1,0,0,0,0|0,0,1]=3 35 B21R3.29740873 C=CCN1C(=O)C2=CC=C(C3=CC=CC(=C23)C1=O)Br MCULE-8973434427 [1,1,0,0,0,0|1,0,0]=3 36 B21R3.29740873 C=CCN1C(=O)C2=CC=CC3=C2C(=CC=C3Cl)C1=O MCULE-4610465770 [1,1,0,0,0,0|1,0,0]=3 37 B21R3.29740873 NCCN1C(=O)C2=CC=C(C3=CC=CC(=C23)C1=O)Br MCULE-5583196536 [1,1,0,0,0,0|1,0,1]=4 38 B21R3.29740873 O=C1C2=CC=CC3=C2C(=CC=C3Br)C(=O)N1CCO MCULE-6279694311 [1,1,0,0,0,0|0,0,1]=3 39 B21R3.52104234 CC(CO)N1C(=O)C2=CC=CC3=CC=CC(=C23)C1=O MCULE-4395628719 [1,1,0,0,0,0|0,0,1]=3 40 B23R3.198877050 COC(=O)CCN1C(=O)C2=CC=CC3=CC=CC(=C23)C1=O MCULE-6737613663 [0,1,0,0,0,1|0,0,0]=2 41 B23R3.198877050 NNC(=O)CCN1C(=O)C2=CC=CC3=CC=CC(=C23)C1=O MCULE-5943294827 [0,1,0,0,0,1|1,0,0]=3 42 B23R3.231991106 COC1=CC=C2C(=O)N(C(=O)C3=CC=CC1=C23)NC(=O)C MCULE-8491961031 [0,2,0,0,0,0|2,0,0]=4 43 B23R3.748242656 NC1=CC=C2C(=O)N(C(=O)C3=C2C1=CC=C3)CC(O)CO MCULE-2628428650 [0,2,0,0,0,0|0,0,2]=4 44 B23R3.145560688 COC(CN1C(=O)C2=CC=CC3=C2C(=CC=C3)C1=O)OC MCULE-7795850388 [0,2,0,0,0,0|0,0,2]=4 45 B23R3.165729186 CCCC(=O)ON1C(=O)C2=CC=CC3=CC=CC(=C23)C1=O MCULE-7798865488 [0,2,0,0,0,0|2,0,0]=4 46 B23R3.165729186 CCOC(=O)NN1C(=O)C2=CC=CC3=CC=CC(=C23)C1=O MCULE-7509534506 [0,2,0,0,0,0|1,0,0]=3 47 B19R3.85995 NC(=O)CN1C(=O)C2=C3C1=CC=CC3=CC=C2 MCULE-6900574640 [1,0,0,0,1,0|1,0,0]=3 48 B19R3.85995 O=C(O)CN1C(=O)C2=CC=CC3=C2C1=CC=C3 MCULE-2928315715 [1,0,0,0,1,0|0,0,0]=2 49 B19R3.85995 O=C([O-])CN1C(=O)C2=C3C1=CC=CC3=CC=C2 MCULE-2388517377 [1,0,0,0,1,0|0,0,1]=3 50 B23R3.10227021 CC(=O)OCCN1C(=O)C2=CC=CC3=C2C(=CC=C3)C1=O MCULE-9551051909 [0,0,0,0,0,2|1,0,0]=3 51 B23R3.10227021 O=C(O)C=CCN1C(=O)C2=CC=CC3=C2C(=CC=C3)C1=O MCULE-9708772958 [0,0,0,0,0,2|0,0,0]=2 52 B23R3.10227021 O=C(O)CCCN1C(=O)C2=CC=CC3=CC=CC(=C23)C1=O MCULE-6695567974 [0,0,0,0,0,2|0,0,0]=2 53 B23R3.10227021 O=C([O-])CCCN1C(=O)C2=CC=CC3=CC=CC(=C23)C1=O MCULE-3888306800 [0,0,0,0,0,2|0,0,1]=3