0 B22R3.5726420 NC1=C2C(=O)N(C(=O)C2=CC=C1)C3CCC(=O)NC3=O MCULE-3830114658 [0,0,0,0,0,0|0,0,0]=0 1 B22R3.5726420 O=C1CCC(C(=O)N1)N2C(=O)C3=C(C2=O)C(=CC=C3)Br MCULE-8819021706 [0,0,0,0,0,0|1,0,0]=1 2 B22R3.5726420 O=C1CCC(C(=O)N1)N2C(=O)C3=C(C2=O)C(=CC=C3)Cl MCULE-7554821016 [0,0,0,0,0,0|1,0,0]=1 3 B22R3.5726420 O=C1CCC(C(=O)N1)N2C(=O)C3=C(C2=O)C(=CC=C3)F MCULE-1647029525 [0,0,0,0,0,0|1,0,0]=1 4 B22R3.5726420 O=C1CCC(C(=O)N1)N2C(=O)C3=C(C2=O)C(=CC=C3)I MCULE-2055185278 [0,0,0,0,0,0|1,0,0]=1 5 B22R3.5726420 O=C1CCC(C(=O)N1)N2C(=O)C3=C(C2=O)C(=CC=C3)O MCULE-4726396620 [0,0,0,0,0,0|1,0,0]=1 6 B22R3.5726420 O=C1CCC(C(=O)N1)N2C(=O)C3=C(C2=O)C(=CC=C3)S MCULE-1531890420 [0,0,0,0,0,0|1,0,0]=1 7 B22R3.5726420 O=C1CCC(C(=O)N1)N2C(=O)C3=C(C2=O)C(=NC=C3)Cl MCULE-6782807959 [0,0,0,0,0,0|2,0,0]=2 8 B22R3.5726420 O=C1CC[C@@H](C(=O)N1)N2C(=O)C3=C(C2=O)C(=CC=C3)O MCULE-1425873908 [0,0,0,0,0,0|1,0,0]=1 9 B22R3.5726420 [C@@H]1(CCC(=O)NC1=O)N2C(=O)C3=CC=CC(=C3C2=O)O MCULE-7520227148 [0,0,0,0,0,0|1,0,0]=1 10 B21R3.3995204 CC1C2=CC=CC=C2C(=O)N1C3CCC(=O)NC3=O MCULE-1469235683 [1,0,0,0,0,0|1,0,1]=3 11 B21R3.3995204 O=C1CCC(C(=O)N1)N2C(=O)C3=C(C2=O)C=CC=C3 MCULE-6327754946 [1,0,0,0,0,0|0,0,0]=1 12 B21R3.3995204 O=C1CCC(C(=O)N1)N2C(=O)C3=C(C2=O)N=CC=C3 MCULE-5321767143 [1,0,0,0,0,0|1,0,0]=2 13 B21R3.3995204 O=C1CCC(C(=O)O1)N2C(=O)C3=C(C2=O)C=CC=C3 MCULE-5652563838 [1,0,0,0,0,0|1,0,0]=2 14 B21R3.3995204 O=C1CC[C@@H](C(=O)N1)N2C(=O)C3=C(C2=O)C=CC=C3 MCULE-4066871341 [1,0,0,0,0,0|0,0,0]=1 15 B21R3.3995204 O=C1CC[C@@H](C(=O)N1)N2C(=O)C3=C(C2=O)C=CC=C3 MCULE-9509144163 [1,0,0,0,0,0|0,0,0]=1 16 B21R3.3995204 O=C1CC[C@@H](C(=O)O1)N2C(=O)C3=C(C2=O)C=CC=C3 MCULE-6658192122 [1,0,0,0,0,0|1,0,0]=2 17 B21R3.3995204 O=C1CC[C@@H](C(=O)O1)N2C(=O)C3=C(C2=O)C=CC=C3 MCULE-6917341849 [1,0,0,0,0,0|1,0,0]=2 18 B21R3.3995204 O=C1CC[C@H](C(=O)N1)N2C(=O)C3=C(C2=O)C=CC=C3 MCULE-3705883023 [1,0,0,0,0,0|0,0,0]=1 19 B21R3.3995204 O=C1CC[C@H](C(=O)N1)N2C(=O)C3=C(C2=O)C=CC=C3 MCULE-9601780463 [1,0,0,0,0,0|0,0,0]=1 20 B21R3.7512221 NC1=C2C(=O)N(CC2=CC=C1)C3CCC(=O)NC3=O MCULE-7399829207 [1,0,0,0,0,0|0,0,1]=2 21 B21R3.7512221 O=C1CCC(C(=O)N1)N2CC3=C(C2=O)C(=CC=C3)O MCULE-6389702402 [1,0,0,0,0,0|1,0,1]=3 22 B21R3.7512221 O=C1CCC(C(=O)N1)N2CC3=CC=CC(=C3C2=O)Br MCULE-8366525465 [1,0,0,0,0,0|1,0,1]=3 23 B21R3.7512221 O=C1CCC(C(=O)N1)N2CC3=CC=CC(=C3C2=O)F MCULE-7439667080 [1,0,0,0,0,0|1,0,1]=3 24 B21R3.142199474 CC1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O MCULE-9244087632 [1,0,0,0,0,0|1,0,1]=3 25 B21R3.142199474 NC1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O MCULE-8497049967 [1,0,0,0,0,0|0,0,1]=2 26 B21R3.142199474 NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O MCULE-9771679074 [1,0,0,0,0,0|0,0,1]=2 27 B21R3.142199474 NC1=CC=CC2=C1CN(C2=O)[C@H]3CCC(=O)NC3=O MCULE-1533631927 [1,0,0,0,0,0|0,0,1]=2 28 B21R3.142199474 O=C1CCC(C(=O)N1)N2CC3=C(C2=O)C=CC=C3Br MCULE-1285608867 [1,0,0,0,0,0|1,0,1]=3 29 B21R3.142199474 O=C1CCC(C(=O)N1)N2CC3=C(C2=O)C=CC=C3F MCULE-6463443539 [1,0,0,0,0,0|1,0,1]=3 30 B21R3.142199474 O=C1CCC(C(=O)N1)N2CC3=C(C2=O)C=CC=C3I MCULE-6973216554 [1,0,0,0,0,0|1,0,1]=3 31 B21R3.142199474 O=C1CCC(C(=O)N1)N2CC3=C(C=CC=C3C2=O)Cl MCULE-9347536510 [1,0,0,0,0,0|1,0,1]=3 32 B21R3.142199474 O=C1CCC(C(=O)N1)N2CC3=C(C=CC=C3C2=O)O MCULE-8277288151 [1,0,0,0,0,0|1,0,1]=3 33 B23R3.8363202 CC1=C2C(=CC=C1)C(=O)N(S2(=O)=O)C3CCC(=O)NC3=O MCULE-2634280712 [0,1,0,0,0,0|2,0,0]=3 34 B23R3.8363210 NC1=C(C=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O)O MCULE-1891400699 [0,1,0,0,0,0|0,0,0]=1 35 B23R3.8363210 O=C1CCC(C(=O)N1)N2C(=O)C3=C(C2=O)C(=C(C=C3)Br)F MCULE-2578698528 [0,1,0,0,0,0|1,0,0]=2 36 B23R3.8363210 O=C1CCC(C(=O)N1)N2C(=O)C3=CC=C(C(=C3C2=O)Br)F MCULE-9773836354 [0,1,0,0,0,0|1,0,0]=2 37 B23R3.76604878 NC1=C2C(=O)N(C(=O)C2=C(C=C1)O)C3CCC(=O)NC3=O MCULE-2634532663 [0,1,0,0,0,0|0,0,0]=1 38 B23R3.76604878 O=C1CCC(C(=O)N1)N2C(=O)C3=C(C2=O)C(=CC=C3F)Br MCULE-2008056645 [0,1,0,0,0,0|1,0,0]=2 39 B23R3.130152052 CN1C(=O)CCC(C1=O)N2C(=O)C3=C(C2=O)C(=CC=C3)F MCULE-2387586897 [0,1,0,0,0,0|1,0,0]=2 40 B23R3.130152052 CN1C(=O)CCC(C1=O)N2C(=O)C3=C(C2=O)C(=CC=C3)O MCULE-3141471839 [0,1,0,0,0,0|1,0,0]=2 41 B23R3.130152052 CN1C(=O)CCC(C1=O)N2C(=O)C3=CC=CC(=C3C2=O)N MCULE-8901431473 [0,1,0,0,0,0|0,0,0]=1 42 B23R3.207356280 C#CC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O MCULE-9670841163 [0,1,0,0,0,0|1,0,0]=2 43 B23R3.207356280 CNC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O MCULE-5363740591 [0,1,0,0,0,0|0,0,0]=1 44 B23R3.207356280 NCC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O MCULE-6269641605 [0,1,0,0,0,0|0,0,0]=1 45 B23R3.207356280 NCC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O MCULE-9816399081 [0,1,0,0,0,0|0,0,0]=1 46 B23R3.1052783797 NC1=CC=CC2=C1C(=O)N(C2=O)C3CC(C(=O)NC3=O)O MCULE-5547218588 [0,1,0,0,0,0|0,0,0]=1 47 B23R3.18029795 CC1=NC2=C(C(=O)N1C3CCC(=O)NC3=O)C(=CC=C2)F MCULE-4411232698 [0,0,0,0,0,1|2,0,0]=3 48 B23R3.18029795 CC1=NC2=C(C(=O)N1C3CCC(=O)NC3=O)C(=CC=C2)N MCULE-5507647235 [0,0,0,0,0,1|1,0,0]=2 49 B23R3.18029795 CC1=NC2=C(C(=O)N1C3CCC(=O)NC3=O)C(=CC=C2)N MCULE-9159449708 [0,0,0,0,0,1|1,0,0]=2 50 B23R3.615755446 CC1=NC2=C(C=CC=C2Br)C(=O)N1[C@H]3CCC(=O)NC3=O MCULE-9292380274 [0,0,0,0,0,1|2,0,0]=3 51 B20R2.42705 COC1=C(C=CC=C1)C(=O)NC2CCC(=O)NC2=O MCULE-6538815583 [1,0,1,0,0,0|2,0,0]=4 52 B20R2.156371 CC1=C(C=CC=C1N)C(=O)NC2CCC(=O)NC2=O MCULE-5858235179 [1,0,1,0,0,0|0,0,1]=3 53 B20R2.979616 CCC(C)NC(=O)CN1C(=O)C2=CC=CC=C2C1=O MCULE-6595012054 [1,0,1,0,0,0|1,0,1]=4 54 B20R2.979616 COC(=O)CC(=O)CN1C(=O)C2=C(C1=O)C=CC=C2 MCULE-6396643393 [1,0,1,0,0,0|2,0,0]=4 55 B20R2.2954408 CC(C(=O)NC(=N)N)N1C(=O)C2=C(C1=O)C=CC=C2 MCULE-6592277925 [1,0,1,0,0,0|2,0,0]=4 56 B20R2.2954408 CC(C(=O)NC(=N)N)N1C(=O)C2=C(C1=O)C=CC=C2 MCULE-9390257972 [1,0,1,0,0,0|2,0,0]=4 57 B20R2.2954408 CC(C(=O)NC(=S)N)N1C(=O)C2=C(C1=O)C=CC=C2 MCULE-1757384849 [1,0,1,0,0,0|1,1,0]=4 58 B20R3.97576 O=C1CCCCC1N2C(=O)C3=C(C2=O)C=CC=C3 MCULE-4280579503 [2,0,0,0,0,0|1,0,1]=4 59 B20R3.97576 O=C1NCCCC1N2C(=O)C3=CC=CC=C3C2=O MCULE-7304160374 [2,0,0,0,0,0|0,0,1]=3 60 B20R3.402790 O=C1CCC(CC1)N2C(=O)C3=C(C2=O)C=CC=C3 MCULE-5154306107 [2,0,0,0,0,0|1,0,1]=4 61 B20R3.101131 O=C1CCC(C(=O)N1)N2CC3=C(C2=O)C=CC=C3 MCULE-1834390870 [2,0,0,0,0,0|0,0,1]=3 62 B20R3.101131 O=C1CCC(C(=O)N1)N2CC3=C(C2=O)C=CC=N3 MCULE-1157282506 [2,0,0,0,0,0|1,0,1]=4 63 B20R3.101131 O=C1CCC(C(=O)O1)N2CC3=CC=CC=C3C2=O MCULE-4200634154 [2,0,0,0,0,0|1,0,1]=4 64 B22R2.102529984 NC(=O)C(CCC(=O)O)N1C(=O)C2=C(C1=O)C(=CC=C2)N MCULE-3412420932 [0,1,1,0,0,0|0,0,0]=2 65 B22R2.102529984 NC(=O)CCC(C(=O)O)N1C(=O)C2=C(C1=O)C(=CC=C2)N MCULE-5619454452 [0,1,1,0,0,0|1,0,0]=3 66 B22R3.5726416 CC1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O MCULE-3044498103 [1,1,0,0,0,0|0,0,0]=2 67 B22R3.5726416 NC1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O MCULE-9129957968 [1,1,0,0,0,0|0,0,0]=2 68 B22R3.5726416 O=C1CCC(C(=O)N1)N2C(=O)C3=C(C2=O)C=C(C=C3)Br MCULE-1073465436 [1,1,0,0,0,0|0,0,0]=2 69 B22R3.5726416 O=C1CCC(C(=O)N1)N2C(=O)C3=C(C2=O)C=C(C=C3)Cl MCULE-6024127885 [1,1,0,0,0,0|0,0,0]=2 70 B22R3.5726416 O=C1CCC(C(=O)N1)N2C(=O)C3=C(C2=O)C=C(C=C3)F MCULE-5375873828 [1,1,0,0,0,0|0,0,0]=2 71 B22R3.5726416 O=C1CCC(C(=O)N1)N2C(=O)C3=C(C2=O)C=C(C=C3)I MCULE-8504566800 [1,1,0,0,0,0|0,0,0]=2 72 B22R3.5726416 O=C1CCC(C(=O)N1)N2C(=O)C3=C(C2=O)C=C(C=C3)O MCULE-2358130162 [1,1,0,0,0,0|0,0,0]=2 73 B22R3.5726416 O=C1CCC(C(=O)N1)N2C(=O)C3=C(C2=O)C=C(C=C3)S MCULE-8746172298 [1,1,0,0,0,0|0,0,0]=2 74 B22R3.5726443 O=C1CCC(C(=O)N1)N2C(=O)C3=C(S2(=O)=O)C=CC=C3 MCULE-7134021178 [1,1,0,0,0,0|1,0,0]=3 75 B22R3.1148016 COC1=C2C(=O)N(CC2=CC=C1)C3CCC(=O)NC3=O MCULE-9646388551 [1,1,0,0,0,0|1,0,1]=4 76 B22R3.1148016 N#CC1=C2C(=O)N(CC2=CC=C1)C3CCC(=O)NC3=O MCULE-9519018809 [1,1,0,0,0,0|0,0,2]=4 77 B22R3.78189478 O=C1CCC(C(=O)N1)N2CC3=C(C2=O)C(=CC=C3Br)F MCULE-1907966951 [1,1,0,0,0,0|1,0,1]=4 78 B22R3.78189478 O=C1CCC(C(=O)N1)N2CC3=C(C2=O)C(=CC=C3F)Br MCULE-7897836928 [1,1,0,0,0,0|1,0,1]=4 79 B22R3.78189478 O=C1CCC(C(=O)N1)N2CC3=C(C=CC(=C3C2=O)O)Br MCULE-5653827158 [1,1,0,0,0,0|1,0,1]=4 80 B22R3.78189538 O=C1CCC(C(=O)N1)N2CC3=C(C2=O)C(=CC(=C3)Br)F MCULE-9461638723 [1,1,0,0,0,0|1,0,1]=4 81 B22R3.10332625 CN1C(=O)CCC(C1=O)N2CC3=C(C2=O)C=CC=C3Br MCULE-9576614563 [1,1,0,0,0,0|1,0,1]=4 82 B22R3.10332625 CN1C(=O)CCC(C1=O)N2CC3=C(C=CC=C3C2=O)N MCULE-2423618277 [1,1,0,0,0,0|0,0,1]=3 83 B22R3.16908175 C#CC1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O MCULE-3976487047 [1,1,0,0,0,0|1,0,1]=4 84 B22R3.16908175 COC1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O MCULE-6694133552 [1,1,0,0,0,0|1,0,1]=4 85 B22R3.16908175 N#CC1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O MCULE-8438176252 [1,1,0,0,0,0|0,0,2]=4 86 B22R3.16908175 NCC1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O MCULE-9461927016 [1,1,0,0,0,0|0,0,1]=3 87 B22R3.16908175 NCC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O MCULE-7817558918 [1,1,0,0,0,0|0,0,1]=3 88 B22R3.300641421 NC1=C2CN(C(=O)C2=CC=C1O)C3CCC(=O)NC3=O MCULE-2260853720 [1,1,0,0,0,0|0,0,1]=3 89 B22R3.300641421 O=C1CCC(C(=O)N1)N2CC3=C(C2=O)C=CC(=C3F)Br MCULE-5843473823 [1,1,0,0,0,0|1,0,1]=4 90 B24R3.42207271 C#CC1=CC=CC2=C1N=C(N(C2=O)[C@@H]3CCC(=O)NC3=O)C MCULE-6643103500 [0,1,0,0,0,1|2,0,0]=4 91 B24R3.42207271 C#CC1=CC=CC2=C1N=C(N(C2=O)[C@H]3CCC(=O)NC3=O)C MCULE-9456078653 [0,1,0,0,0,1|2,0,0]=4 92 B24R3.12022567 O=C1CCC(C(=O)N1)N2C(=O)C3=C(C2=O)C(=CC=C3)N(=O)=O MCULE-2062575892 [0,2,0,0,0,0|0,0,1]=3 93 B24R3.12022567 O=C1CCC(C(=O)N1)N2C(=O)C3=CC=CC(=C3C2=O)C(=O)O MCULE-4380592919 [0,2,0,0,0,0|1,0,0]=3 94 B24R3.189285504 CCNC1=C2C(=O)N(C(=O)C2=CC=C1)C3CCC(=O)NC3=O MCULE-7022005472 [0,2,0,0,0,0|0,0,0]=2 95 B24R3.189285504 CCNC1=C2C(=O)N(C(=O)C2=CC=C1)C3CCC(=O)NC3=O MCULE-7441380930 [0,2,0,0,0,0|0,0,0]=2 96 B22R3.11657642 NC1=CC=CC2=C1C(=O)N(N=N2)C3CCC(=O)NC3=O MCULE-8757276336 [0,0,1,1,0,0|2,0,0]=4 97 B20R3.2776309 O=C1CC(C(=O)N1)N2C(=O)C3=CC=CC=C3C2=O MCULE-6725450301 [1,0,0,0,1,0|0,0,0]=2 98 B20R3.2776309 O=C1CC(C(=O)O1)N2C(=O)C3=C(C2=O)C=CC=C3 MCULE-3013048619 [1,0,0,0,1,0|1,0,0]=3 99 B22R3.598953133 CC1=C2CN(C(=O)C2=CC=C1)C3CCCC(=O)NC3=O MCULE-4730239512 [1,0,0,0,0,1|1,0,1]=4 100 B22R3.598953133 CC1=CC=CC2=C1CN(C2=O)[C@H]3CCCC(=O)NC3=O MCULE-8369724933 [1,0,0,0,0,1|1,0,1]=4 101 B22R3.598953133 NC1=C2CN(C(=O)C2=CC=C1)C3CCCC(=O)NC3=O MCULE-2109057631 [1,0,0,0,0,1|0,0,1]=3