0 B21R3.142199474 CC1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O MCULE-9244087632 [0,0,0,0,0,0|1,0,0]=1 1 B21R3.142199474 NC1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O MCULE-8497049967 [0,0,0,0,0,0|0,0,0]=0 2 B21R3.142199474 NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O MCULE-9771679074 [0,0,0,0,0,0|0,0,0]=0 3 B21R3.142199474 NC1=CC=CC2=C1CN(C2=O)[C@H]3CCC(=O)NC3=O MCULE-1533631927 [0,0,0,0,0,0|0,0,0]=0 4 B21R3.142199474 O=C1CCC(C(=O)N1)N2CC3=C(C2=O)C=CC=C3Br MCULE-1285608867 [0,0,0,0,0,0|1,0,0]=1 5 B21R3.142199474 O=C1CCC(C(=O)N1)N2CC3=C(C2=O)C=CC=C3F MCULE-6463443539 [0,0,0,0,0,0|1,0,0]=1 6 B21R3.142199474 O=C1CCC(C(=O)N1)N2CC3=C(C2=O)C=CC=C3I MCULE-6973216554 [0,0,0,0,0,0|1,0,0]=1 7 B21R3.142199474 O=C1CCC(C(=O)N1)N2CC3=C(C=CC=C3C2=O)Cl MCULE-9347536510 [0,0,0,0,0,0|1,0,0]=1 8 B21R3.142199474 O=C1CCC(C(=O)N1)N2CC3=C(C=CC=C3C2=O)O MCULE-8277288151 [0,0,0,0,0,0|1,0,0]=1 9 B20R3.101131 O=C1CCC(C(=O)N1)N2CC3=C(C2=O)C=CC=C3 MCULE-1834390870 [1,0,0,0,0,0|0,0,0]=1 10 B20R3.101131 O=C1CCC(C(=O)N1)N2CC3=C(C2=O)C=CC=N3 MCULE-1157282506 [1,0,0,0,0,0|1,0,0]=2 11 B20R3.101131 O=C1CCC(C(=O)O1)N2CC3=CC=CC=C3C2=O MCULE-4200634154 [1,0,0,0,0,0|1,0,0]=2 12 B22R3.5726420 NC1=C2C(=O)N(C(=O)C2=CC=C1)C3CCC(=O)NC3=O MCULE-3830114658 [0,1,0,0,0,0|0,0,1]=2 13 B22R3.5726420 O=C1CCC(C(=O)N1)N2C(=O)C3=C(C2=O)C(=CC=C3)Br MCULE-8819021706 [0,1,0,0,0,0|1,0,1]=3 14 B22R3.5726420 O=C1CCC(C(=O)N1)N2C(=O)C3=C(C2=O)C(=CC=C3)Cl MCULE-7554821016 [0,1,0,0,0,0|1,0,1]=3 15 B22R3.5726420 O=C1CCC(C(=O)N1)N2C(=O)C3=C(C2=O)C(=CC=C3)F MCULE-1647029525 [0,1,0,0,0,0|1,0,1]=3 16 B22R3.5726420 O=C1CCC(C(=O)N1)N2C(=O)C3=C(C2=O)C(=CC=C3)I MCULE-2055185278 [0,1,0,0,0,0|1,0,1]=3 17 B22R3.5726420 O=C1CCC(C(=O)N1)N2C(=O)C3=C(C2=O)C(=CC=C3)O MCULE-4726396620 [0,1,0,0,0,0|1,0,1]=3 18 B22R3.5726420 O=C1CCC(C(=O)N1)N2C(=O)C3=C(C2=O)C(=CC=C3)S MCULE-1531890420 [0,1,0,0,0,0|1,0,1]=3 19 B22R3.5726420 O=C1CCC(C(=O)N1)N2C(=O)C3=C(C2=O)C(=NC=C3)Cl MCULE-6782807959 [0,1,0,0,0,0|2,0,1]=4 20 B22R3.5726420 O=C1CC[C@@H](C(=O)N1)N2C(=O)C3=C(C2=O)C(=CC=C3)O MCULE-1425873908 [0,1,0,0,0,0|1,0,1]=3 21 B22R3.5726420 [C@@H]1(CCC(=O)NC1=O)N2C(=O)C3=CC=CC(=C3C2=O)O MCULE-7520227148 [0,1,0,0,0,0|1,0,1]=3 22 B22R3.10332625 CN1C(=O)CCC(C1=O)N2CC3=C(C2=O)C=CC=C3Br MCULE-9576614563 [0,1,0,0,0,0|1,0,0]=2 23 B22R3.10332625 CN1C(=O)CCC(C1=O)N2CC3=C(C=CC=C3C2=O)N MCULE-2423618277 [0,1,0,0,0,0|0,0,0]=1 24 B22R3.16908175 C#CC1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O MCULE-3976487047 [0,1,0,0,0,0|1,0,0]=2 25 B22R3.16908175 COC1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O MCULE-6694133552 [0,1,0,0,0,0|1,0,0]=2 26 B22R3.16908175 N#CC1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O MCULE-8438176252 [0,1,0,0,0,0|0,0,1]=2 27 B22R3.16908175 NCC1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O MCULE-9461927016 [0,1,0,0,0,0|0,0,0]=1 28 B22R3.16908175 NCC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O MCULE-7817558918 [0,1,0,0,0,0|0,0,0]=1 29 B22R3.78189478 O=C1CCC(C(=O)N1)N2CC3=C(C2=O)C(=CC=C3Br)F MCULE-1907966951 [0,1,0,0,0,0|1,0,0]=2 30 B22R3.78189478 O=C1CCC(C(=O)N1)N2CC3=C(C2=O)C(=CC=C3F)Br MCULE-7897836928 [0,1,0,0,0,0|1,0,0]=2 31 B22R3.78189478 O=C1CCC(C(=O)N1)N2CC3=C(C=CC(=C3C2=O)O)Br MCULE-5653827158 [0,1,0,0,0,0|1,0,0]=2 32 B22R3.300641421 NC1=C2CN(C(=O)C2=CC=C1O)C3CCC(=O)NC3=O MCULE-2260853720 [0,1,0,0,0,0|0,0,0]=1 33 B22R3.300641421 O=C1CCC(C(=O)N1)N2CC3=C(C2=O)C=CC(=C3F)Br MCULE-5843473823 [0,1,0,0,0,0|1,0,0]=2 34 B20R2.156371 CC1=C(C=CC=C1N)C(=O)NC2CCC(=O)NC2=O MCULE-5858235179 [0,0,1,0,0,0|0,0,0]=1 35 B22R3.598953133 CC1=C2CN(C(=O)C2=CC=C1)C3CCCC(=O)NC3=O MCULE-4730239512 [0,0,0,0,0,1|1,0,0]=2 36 B22R3.598953133 CC1=CC=CC2=C1CN(C2=O)[C@H]3CCCC(=O)NC3=O MCULE-8369724933 [0,0,0,0,0,1|1,0,0]=2 37 B22R3.598953133 NC1=C2CN(C(=O)C2=CC=C1)C3CCCC(=O)NC3=O MCULE-2109057631 [0,0,0,0,0,1|0,0,0]=1 38 B19R2.101314 NC1=CC(=CC=C1)C(=O)NC2CCC(=O)NC2=O MCULE-1872964294 [1,0,1,0,0,0|0,0,0]=2 39 B19R2.101314 NC1=CC(=CC=C1)C(=O)NC2CCC(=O)NC2=O MCULE-2059023198 [1,0,1,0,0,0|0,0,0]=2 40 B21R2.18020198 NC(=O)C(CCC(=O)O)N1CC2=C(C1=O)C=CC=C2N MCULE-2944428973 [0,1,1,0,0,0|1,0,0]=3 41 B21R2.18020198 NC1=CC=CC2=C1CN(C2=O)C(CCC(=O)O)C(=O)O MCULE-3096672950 [0,1,1,0,0,0|1,0,0]=3 42 B21R3.3995204 CC1C2=CC=CC=C2C(=O)N1C3CCC(=O)NC3=O MCULE-1469235683 [1,1,0,0,0,0|0,0,0]=2 43 B21R3.3995204 O=C1CCC(C(=O)N1)N2C(=O)C3=C(C2=O)C=CC=C3 MCULE-6327754946 [1,1,0,0,0,0|0,0,1]=3 44 B21R3.3995204 O=C1CCC(C(=O)N1)N2C(=O)C3=C(C2=O)N=CC=C3 MCULE-5321767143 [1,1,0,0,0,0|1,0,1]=4 45 B21R3.3995204 O=C1CCC(C(=O)O1)N2C(=O)C3=C(C2=O)C=CC=C3 MCULE-5652563838 [1,1,0,0,0,0|1,0,1]=4 46 B21R3.3995204 O=C1CC[C@@H](C(=O)N1)N2C(=O)C3=C(C2=O)C=CC=C3 MCULE-4066871341 [1,1,0,0,0,0|0,0,1]=3 47 B21R3.3995204 O=C1CC[C@@H](C(=O)N1)N2C(=O)C3=C(C2=O)C=CC=C3 MCULE-9509144163 [1,1,0,0,0,0|0,0,1]=3 48 B21R3.3995204 O=C1CC[C@@H](C(=O)O1)N2C(=O)C3=C(C2=O)C=CC=C3 MCULE-6658192122 [1,1,0,0,0,0|1,0,1]=4 49 B21R3.3995204 O=C1CC[C@@H](C(=O)O1)N2C(=O)C3=C(C2=O)C=CC=C3 MCULE-6917341849 [1,1,0,0,0,0|1,0,1]=4 50 B21R3.3995204 O=C1CC[C@H](C(=O)N1)N2C(=O)C3=C(C2=O)C=CC=C3 MCULE-3705883023 [1,1,0,0,0,0|0,0,1]=3 51 B21R3.3995204 O=C1CC[C@H](C(=O)N1)N2C(=O)C3=C(C2=O)C=CC=C3 MCULE-9601780463 [1,1,0,0,0,0|0,0,1]=3 52 B21R3.7512211 CC1=CC2=C(C=C1)CN(C2=O)C3CCC(=O)NC3=O MCULE-1677182060 [1,1,0,0,0,0|0,0,0]=2 53 B21R3.7512211 NC1=CC2=C(C=C1)CN(C2=O)C3CCC(=O)NC3=O MCULE-4274352870 [1,1,0,0,0,0|0,0,0]=2 54 B21R3.7512211 O=C1CCC(C(=O)N1)N2CC3=C(C2=O)C=C(C=C3)Br MCULE-2427457622 [1,1,0,0,0,0|0,0,0]=2 55 B21R3.7512211 O=C1CCC(C(=O)N1)N2CC3=C(C2=O)C=C(C=C3)F MCULE-9081937922 [1,1,0,0,0,0|0,0,0]=2 56 B21R3.7512211 O=C1CCC(C(=O)N1)N2CC3=C(C2=O)C=C(C=C3)O MCULE-5469263548 [1,1,0,0,0,0|0,0,0]=2 57 B21R3.7512211 O=C1CCC(C(=O)N1)N2CC3=C(C2=O)C=C(N=C3)Cl MCULE-5994366602 [1,1,0,0,0,0|1,0,0]=3 58 B21R3.7512221 NC1=C2C(=O)N(CC2=CC=C1)C3CCC(=O)NC3=O MCULE-7399829207 [1,1,0,0,0,0|0,0,0]=2 59 B21R3.7512221 O=C1CCC(C(=O)N1)N2CC3=C(C2=O)C(=CC=C3)O MCULE-6389702402 [1,1,0,0,0,0|0,0,0]=2 60 B21R3.7512221 O=C1CCC(C(=O)N1)N2CC3=CC=CC(=C3C2=O)Br MCULE-8366525465 [1,1,0,0,0,0|0,0,0]=2 61 B21R3.7512221 O=C1CCC(C(=O)N1)N2CC3=CC=CC(=C3C2=O)F MCULE-7439667080 [1,1,0,0,0,0|0,0,0]=2 62 B21R3.41339213 CC1=CC2=C(C=C1)C(=O)N(C2)C3CCC(=O)NC3=O MCULE-4233547219 [1,1,0,0,0,0|0,0,0]=2 63 B21R3.41339213 NC1=CC2=C(C=C1)C(=O)N(C2)C3CCC(=O)NC3=O MCULE-5166619557 [1,1,0,0,0,0|0,0,0]=2 64 B21R3.41339213 O=C1CCC(C(=O)N1)N2CC3=C(C2=O)C=CC(=C3)Br MCULE-3111601308 [1,1,0,0,0,0|0,0,0]=2 65 B21R3.41339213 O=C1CCC(C(=O)N1)N2CC3=C(C2=O)C=CC(=C3)F MCULE-4274788738 [1,1,0,0,0,0|0,0,0]=2 66 B21R3.41339213 O=C1CCC(C(=O)N1)N2CC3=C(C2=O)C=CC(=C3)I MCULE-5017231464 [1,1,0,0,0,0|0,0,0]=2 67 B21R3.41339213 O=C1CCC(C(=O)N1)N2CC3=C(C2=O)C=CC(=C3)O MCULE-2419776413 [1,1,0,0,0,0|0,0,0]=2 68 B21R3.41339213 O=C1CCC(C(=O)N1)N2CC3=CC(=CN=C3C2=O)Br MCULE-3543727214 [1,1,0,0,0,0|1,0,0]=3 69 B21R3.41339213 O=C1CC[C@@H](C(=O)N1)N2CC3=C(C2=O)C=CC(=C3)Br MCULE-8120715387 [1,1,0,0,0,0|0,0,0]=2 70 B23R3.615755446 CC1=NC2=C(C=CC=C2Br)C(=O)N1[C@H]3CCC(=O)NC3=O MCULE-9292380274 [0,1,0,0,0,1|1,0,1]=4 71 B23R3.18029795 CC1=NC2=C(C(=O)N1C3CCC(=O)NC3=O)C(=CC=C2)N MCULE-5507647235 [0,1,0,0,0,1|1,0,1]=4 72 B23R3.18029795 CC1=NC2=C(C(=O)N1C3CCC(=O)NC3=O)C(=CC=C2)N MCULE-9159449708 [0,1,0,0,0,1|1,0,1]=4 73 B23R3.8363202 CC1=C2C(=CC=C1)C(=O)N(S2(=O)=O)C3CCC(=O)NC3=O MCULE-2634280712 [0,2,0,0,0,0|2,0,0]=4 74 B23R3.8363210 NC1=C(C=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O)O MCULE-1891400699 [0,2,0,0,0,0|0,0,1]=3 75 B23R3.8363210 O=C1CCC(C(=O)N1)N2C(=O)C3=C(C2=O)C(=C(C=C3)Br)F MCULE-2578698528 [0,2,0,0,0,0|1,0,1]=4 76 B23R3.8363210 O=C1CCC(C(=O)N1)N2C(=O)C3=CC=C(C(=C3C2=O)Br)F MCULE-9773836354 [0,2,0,0,0,0|1,0,1]=4 77 B23R3.76604878 NC1=C2C(=O)N(C(=O)C2=C(C=C1)O)C3CCC(=O)NC3=O MCULE-2634532663 [0,2,0,0,0,0|0,0,1]=3 78 B23R3.76604878 O=C1CCC(C(=O)N1)N2C(=O)C3=C(C2=O)C(=CC=C3F)Br MCULE-2008056645 [0,2,0,0,0,0|1,0,1]=4 79 B23R3.130152052 CN1C(=O)CCC(C1=O)N2C(=O)C3=C(C2=O)C(=CC=C3)F MCULE-2387586897 [0,2,0,0,0,0|1,0,1]=4 80 B23R3.130152052 CN1C(=O)CCC(C1=O)N2C(=O)C3=C(C2=O)C(=CC=C3)O MCULE-3141471839 [0,2,0,0,0,0|1,0,1]=4 81 B23R3.130152052 CN1C(=O)CCC(C1=O)N2C(=O)C3=CC=CC(=C3C2=O)N MCULE-8901431473 [0,2,0,0,0,0|0,0,1]=3 82 B23R3.207356280 C#CC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O MCULE-9670841163 [0,2,0,0,0,0|1,0,1]=4 83 B23R3.207356280 CNC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O MCULE-5363740591 [0,2,0,0,0,0|0,0,1]=3 84 B23R3.207356280 NCC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O MCULE-6269641605 [0,2,0,0,0,0|0,0,1]=3 85 B23R3.207356280 NCC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O MCULE-9816399081 [0,2,0,0,0,0|0,0,1]=3 86 B23R3.1052783797 NC1=CC=CC2=C1C(=O)N(C2=O)C3CC(C(=O)NC3=O)O MCULE-5547218588 [0,2,0,0,0,0|0,0,1]=3 87 B23R3.13804980 C=CCC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O MCULE-7328698213 [0,2,0,0,0,0|1,0,0]=3 88 B23R3.13804980 N#N=NC1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O MCULE-9430365712 [0,2,0,0,0,0|0,0,1]=3 89 B23R3.615737799 O=C1CCC(C(=O)N1)N2CC3=C(C=CC=C3C2=O)C(=O)O MCULE-9818469878 [0,2,0,0,0,0|1,0,0]=3 90 B23R3.615737799 O=C1CCC(C(=O)N1)N2CC3=C(C=CC=C3C2=O)N(=O)=O MCULE-9440026482 [0,2,0,0,0,0|0,0,1]=3 91 B23R3.1639717 COC1=C2C(=O)N(CC2=C(C=C1)Br)C3CCC(=O)NC3=O MCULE-9853173230 [0,2,0,0,0,0|1,0,0]=3 92 B21R3.38400553 NC1=C2CN(C(=O)C2=CC=C1)C3CCCCNC3=O MCULE-6904606993 [0,0,1,1,0,0|1,0,1]=4 93 B21R3.26427161 NC1=C2CN(C(=O)C2=CC=C1)C3CC(=O)NC(=O)C3 MCULE-5766930549 [0,0,0,0,1,1|0,0,0]=2