0 B19R2.8715 CC(=O)C1=CC=C(O1)C2=C(C=CC=C2)C(F)(F)F MCULE-2040200896 [0,0,0,0,0,0|1,0,0]=1 1 B19R2.8715 CC(=O)C1=CC=C(S1)C2=C(C=CC=C2)C(F)(F)F MCULE-5523019221 [0,0,0,0,0,0|1,1,0]=2 2 B19R2.8715 CC(=O)C1=CSC(=N1)C2=CC=CC=C2C(F)(F)F MCULE-8076853706 [0,0,0,0,0,0|3,0,0]=3 3 B19R2.8715 NS(=O)(=O)C1=CC=CC=C1C2=CC=C(O2)C(=O)O MCULE-8230625326 [0,0,0,0,0,0|4,0,0]=4 4 B19R2.8715 O=C(O)C1=CC(=NN1)C2=C(C=CC=C2)C(F)(F)F MCULE-7470956734 [0,0,0,0,0,0|3,0,0]=3 5 B19R2.8715 O=C(O)C1=CC=C(O1)C2=CC=CC=C2C(F)(F)F MCULE-2785888780 [0,0,0,0,0,0|0,0,0]=0 6 B19R2.8715 O=C(O)C1=CN(C=N1)C2=CC=CC=C2C(F)(F)F MCULE-4151597880 [0,0,0,0,0,0|3,0,0]=3 7 B19R2.8715 O=C(O)C1=CN(N=C1)C2=CC=CC=C2C(F)(F)F MCULE-4914882717 [0,0,0,0,0,0|3,0,0]=3 8 B19R2.8715 O=C(O)C1=CN(N=N1)C2=C(C=CC=C2)C(F)(F)F MCULE-4580468895 [0,0,0,0,0,0|4,0,0]=4 9 B19R2.8715 O=C(O)C1=CN=C(S1)C2=CC=CC=C2C(F)(F)F MCULE-6983909297 [0,0,0,0,0,0|1,1,0]=2 10 B19R2.8715 O=C(O)C1=CSC(=N1)C2=CC=CC=C2C(F)(F)F MCULE-2336509930 [0,0,0,0,0,0|2,0,0]=2 11 B19R2.8715 O=C(O)C1=NN(C=C1)C2=C(C=CC=C2)C(F)(F)F MCULE-3718319444 [0,0,0,0,0,0|2,0,0]=2 12 B19R2.8715 O=C(O)C1=NN=C(S1)C2=C(C=CC=C2)C(F)(F)F MCULE-1825156868 [0,0,0,0,0,0|2,1,0]=3 13 B19R2.8715 O=C(O)C1=NOC(=C1)C2=C(C=CC=C2)C(F)(F)F MCULE-8699272181 [0,0,0,0,0,0|3,0,0]=3 14 B19R2.8715 O=C([O-])C1=CN=C(S1)C2=CC=CC=C2C(F)(F)F MCULE-5551744442 [0,0,0,0,0,0|1,1,1]=3 15 B19R2.8715 O=C([O-])C1=NN(C=N1)C2=C(C=CC=C2)C(F)(F)F MCULE-6310796162 [0,0,0,0,0,0|3,0,1]=4 16 B19R2.8715 O=C([O-])C1=NN(C=N1)C2=C(C=CC=C2)C(F)(F)F MCULE-6347946771 [0,0,0,0,0,0|3,0,1]=4 17 B19R2.8715 OB(O)C1=CC=C(O1)C2=CC=CC=C2C(F)(F)F MCULE-7940501534 [0,0,0,0,0,0|1,0,1]=2 18 B18R2.2759 NCC1=CC=C(O1)C2=CC=CC=C2C(F)(F)F MCULE-3978821324 [1,0,0,0,0,0|1,0,1]=3 19 B18R2.2759 O=CC1=CC=C(O1)C2=CC=CC=C2C(F)(F)F MCULE-7683314771 [1,0,0,0,0,0|0,0,0]=1 20 B18R2.2759 O=CC1=CNC(=C1)C2=C(C=CC=C2)C(F)(F)F MCULE-1607838573 [1,0,0,0,0,0|2,0,0]=3 21 B18R2.2759 OCC1=CNC(=C1)C2=CC=CC=C2C(F)(F)F MCULE-5392749374 [1,0,0,0,0,0|2,0,1]=4 22 B18R2.7063 O=C(O)C1=CC=C(O1)C2=CC=CC=C2C(=O)O MCULE-6972251343 [1,0,0,0,0,0|2,0,1]=4 23 B18R2.7063 O=C(O)C1=CC=C(O1)C2=CC=CC=C2N(=O)=O MCULE-5961336715 [1,0,0,0,0,0|3,0,0]=4 24 B20R2.16287 COC(=O)C1=CC(=NO1)C2=C(C=CC=C2)C(F)(F)F MCULE-1820665297 [0,1,0,0,0,0|3,0,0]=4 25 B20R2.16287 COC(=O)C1=NOC(=C1)C2=CC=CC=C2C(F)(F)F MCULE-3771698425 [0,1,0,0,0,0|3,0,0]=4 26 B20R2.69711 CC1=C(N=C(S1)C2=CC=CC=C2C(F)(F)F)C(=O)O MCULE-5327693110 [0,1,0,0,0,0|2,0,0]=3 27 B20R2.69711 CC1=C(NC(=N1)C2=CC=CC=C2C(F)(F)F)C(=O)O MCULE-3238152623 [0,1,0,0,0,0|2,0,0]=3 28 B20R2.69711 CC1=NN(N=C1C(=O)O)C2=CC=CC=C2C(F)(F)F MCULE-6114495403 [0,1,0,0,0,0|3,0,0]=4 29 B20R2.69711 CN1N=C(C=C1C(=O)O)C2=C(C=CC=C2)C(F)(F)F MCULE-8592506119 [0,1,0,0,0,0|3,0,0]=4 30 B20R2.69711 O=C(O)C1=NN(C=C1O)C2=C(C=CC=C2)C(F)(F)F MCULE-2387690345 [0,1,0,0,0,0|2,0,0]=3 31 B20R2.76101 O=C(O)C1=CC=C(O1)C2=C(C=C(C=C2)Br)C(F)(F)F MCULE-1257224033 [0,1,0,0,0,0|0,0,0]=1 32 B20R2.76101 O=C(O)C1=CC=C(O1)C2=C(C=C(C=C2)Cl)C(F)(F)F MCULE-3931736372 [0,1,0,0,0,0|0,0,0]=1 33 B20R2.76101 O=C(O)C1=CC=C(O1)C2=CC=C(C=C2C(F)(F)F)I MCULE-1235164413 [0,1,0,0,0,0|0,0,0]=1 34 B20R2.10588 CC(=O)C1=CN=C(S1)NC2=C(C=CC=C2)C(F)(F)F MCULE-6931750756 [0,0,0,0,0,1|2,1,0]=4 35 B20R2.10588 O=C(O)C1=CN(C=N1)CC2=CC=CC=C2C(F)(F)F MCULE-3486866928 [0,0,0,0,0,1|3,0,0]=4 36 B20R2.10588 O=C(O)C1=CN(N=C1)CC2=CC=CC=C2C(F)(F)F MCULE-2184538238 [0,0,0,0,0,1|3,0,0]=4 37 B20R2.10588 O=C(O)C1=CSC(=N1)NC2=CC=CC=C2C(F)(F)F MCULE-5378697809 [0,0,0,0,0,1|2,0,0]=3 38 B20R2.10600 CC(=O)C1=CC=C(N=C1)C2=C(C=CC=C2)C(F)(F)F MCULE-2073996334 [0,0,0,0,0,1|2,0,0]=3 39 B20R2.10600 O=C(O)C1=CC=C(C=C1)C2=C(C=CC=C2)C(F)(F)F MCULE-6131143452 [0,0,0,0,0,1|1,0,0]=2 40 B20R2.10600 O=C(O)C1=CC=C(C=C1)C2=NC=CC=C2C(F)(F)F MCULE-7292237113 [0,0,0,0,0,1|2,0,0]=3 41 B20R2.10600 O=C(O)C1=CN=C(C=C1)C2=C(C=CC=C2)C(F)(F)F MCULE-7984021872 [0,0,0,0,0,1|1,0,0]=2 42 B20R2.10600 O=C(O)C1=NC=C(C=C1)C2=CC=CC=C2C(F)(F)F MCULE-8059905787 [0,0,0,0,0,1|1,0,0]=2 43 B20R2.10600 O=C(O)C1=NC=C(N=C1)C2=CC=CC=C2C(F)(F)F MCULE-5667011408 [0,0,0,0,0,1|2,0,0]=3 44 B20R2.10677 CC(O)C1=NC(=CC=C1)C2=C(C=CC=C2)C(F)(F)F MCULE-1117091096 [0,0,0,0,0,1|2,0,1]=4 45 B20R2.10677 NC(=O)C1=CN=CC(=C1)C2=CC=CC=C2C(F)(F)F MCULE-2620873555 [0,0,0,0,0,1|2,0,0]=3 46 B20R2.10677 O=C(O)C1=CC(=CC=C1)C2=CC=CC=C2C(F)(F)F MCULE-9888075197 [0,0,0,0,0,1|1,0,0]=2 47 B20R2.10677 O=C(O)C1=CC(=NC=C1)C2=C(C=CC=C2)C(F)(F)F MCULE-1932619294 [0,0,0,0,0,1|1,0,0]=2 48 B20R2.10677 O=C(O)C1=CC=CC(=N1)C2=C(C=CC=C2)C(F)(F)F MCULE-5346565706 [0,0,0,0,0,1|1,0,0]=2 49 B20R2.10677 O=C(O)C1=NC=CC(=C1)C2=C(C=CC=C2)C(F)(F)F MCULE-3527687352 [0,0,0,0,0,1|1,0,0]=2 50 B20R2.17699 O=C(O)CN1C=C(C=N1)C2=C(C=CC=C2)C(F)(F)F MCULE-2390496532 [0,0,0,0,0,1|3,0,0]=4 51 B20R2.172027 CC(=O)C1=CC=C(O1)C2=C(C=CC=C2)OC(F)(F)F MCULE-2066854731 [0,0,0,0,0,1|1,0,0]=2 52 B20R2.172027 CC(=O)C1=CC=C(S1)C2=C(C=CC=C2)OC(F)(F)F MCULE-9151023992 [0,0,0,0,0,1|1,1,0]=3 53 B20R2.172027 O=C(O)C1=CC=C(O1)C2=C(C=CC=C2)OC(F)(F)F MCULE-5601506791 [0,0,0,0,0,1|0,0,0]=1 54 B20R2.172027 O=C(O)C1=COC(=N1)C2=CC=CC=C2OC(F)(F)F MCULE-2198821096 [0,0,0,0,0,1|2,0,0]=3 55 B20R2.172027 O=C(O)C1=NOC(=C1)C2=C(C=CC=C2)OC(F)(F)F MCULE-2196491331 [0,0,0,0,0,1|3,0,0]=4 56 B17R1.16278 O=C(O)C=CCOC1=C(C=CC=C1)C(F)(F)F MCULE-2992619860 [1,0,1,0,0,0|1,0,1]=4 57 B17R2.12608 COC1=CC=CC=C1C2=CC=C(O2)C(=O)O MCULE-2631078451 [2,0,0,0,0,0|2,0,0]=4 58 B17R2.12608 N#CC1=CC=CC=C1C2=CC=C(O2)C(=O)O MCULE-3899124873 [2,0,0,0,0,0|1,0,1]=4 59 B19R2.22482 O=CC1=CC=C(O1)C2=C(C=C(C=C2)Br)C(F)(F)F MCULE-1919027614 [1,1,0,0,0,0|0,0,0]=2 60 B19R2.22482 O=CC1=CC=C(O1)C2=C(C=C(C=C2)Cl)C(F)(F)F MCULE-2516231339 [1,1,0,0,0,0|0,0,0]=2 61 B19R2.22482 O=CC1=CC=C(O1)C2=CC=C(C=C2C(F)(F)F)I MCULE-5669599099 [1,1,0,0,0,0|0,0,0]=2 62 B19R2.22482 O=CC1=CC=C(S1)C2=C(C=C(C=C2)Cl)C(F)(F)F MCULE-3019085266 [1,1,0,0,0,0|0,1,0]=3 63 B19R2.1409396 O=CC1=NC(=C(N1)Br)C2=CC=CC=C2C(F)(F)F MCULE-1003477400 [1,1,0,0,0,0|2,0,0]=4 64 B21R2.99960 CC1=C(N=C(S1)NC2=CC=CC=C2C(F)(F)F)C(=O)O MCULE-1148279122 [0,1,0,0,0,1|2,0,0]=4 65 B21R2.4290 CC1=C(C=CC(=C1)C(=O)O)C2=C(C=CC=C2)C(F)(F)F MCULE-8604912219 [0,1,0,0,0,1|1,0,0]=3 66 B21R2.4290 O=C(O)C1=CC=C(C(=C1)O)C2=CC=CC=C2C(F)(F)F MCULE-9031498037 [0,1,0,0,0,1|1,0,0]=3 67 B21R2.93546 NC(=O)C1=C(C=C(C=C1)C2=C(C=CC=C2)C(F)(F)F)N MCULE-6756857721 [0,1,0,0,0,1|2,0,0]=4 68 B21R2.93546 NC1=C(C=CC(=C1)C2=C(C=CC=C2)C(F)(F)F)C(=O)O MCULE-5267401958 [0,1,0,0,0,1|1,0,0]=3 69 B21R2.93546 O=C(O)C1=CC=C(C=C1Cl)C2=CC=CC=C2C(F)(F)F MCULE-4200162346 [0,1,0,0,0,1|1,0,0]=3 70 B21R2.109051 NC1=CC=C(C(=C1)C(F)(F)F)C2=CC=C(C=C2)C(=O)O MCULE-7950758141 [0,1,0,0,0,1|1,0,0]=3 71 B21R2.19721 O=C(O)C1=C(C=CC(=C1)C2=C(C=CC=C2)C(F)(F)F)F MCULE-2876789713 [0,1,0,0,0,1|1,0,0]=3 72 B21R2.19721 O=C(O)C1=C(C=CC(=C1)C2=C(C=CC=C2)C(F)(F)F)O MCULE-1197749764 [0,1,0,0,0,1|1,0,0]=3 73 B21R2.19721 O=C(O)C1=CC(=NC=C1F)C2=CC=CC=C2C(F)(F)F MCULE-9752545185 [0,1,0,0,0,1|1,0,0]=3 74 B21R2.20857 N/C(=N\O)/C1=NC=CC(=C1)C2=C(C=CC=C2)C(F)(F)F MCULE-9680327233 [0,1,0,0,0,1|2,0,0]=4 75 B21R2.95457 CC1=CC(=CC(=C1)C2=C(C=CC=C2)C(F)(F)F)C(=O)O MCULE-8228938070 [0,1,0,0,0,1|1,0,0]=3 76 B21R2.95457 O=C(O)C1=CC(=CC(=C1)Cl)C2=CC=CC=C2C(F)(F)F MCULE-4694399009 [0,1,0,0,0,1|1,0,0]=3 77 B21R2.95457 O=C(O)C1=CC(=CC(=C1)F)C2=C(C=CC=C2)C(F)(F)F MCULE-4468391368 [0,1,0,0,0,1|1,0,0]=3 78 B21R2.3560992 O=C(O)C1=CC=CC(=C1F)C2=CC=CC=C2C(F)(F)F MCULE-5942116557 [0,1,0,0,0,1|1,0,0]=3 79 B21R2.99663 CC1=CC(=NN1C2=CC=CC=C2OC(F)(F)F)C(=O)O MCULE-4154870706 [0,1,0,0,0,1|2,0,0]=4 80 B21R2.109180 O=C(O)C1=COC(=N1)C2=C(C=CC(=C2)Br)OC(F)(F)F MCULE-3806917272 [0,1,0,0,0,1|2,0,0]=4 81 B21R2.3196912 CC1=C(OC(=C1)C2=C(C=CC=C2)OC(F)(F)F)C(=O)O MCULE-5520262131 [0,1,0,0,0,1|0,0,0]=2 82 B21R2.871676 COC(=O)C1=NN(C(=C1)O)C2=CC=CC=C2C(F)(F)F MCULE-2296816533 [0,2,0,0,0,0|2,0,0]=4 83 B21R2.17125 CCOC(=O)C1=CNC(=C1)C2=CC=CC=C2C(F)(F)F MCULE-1561876092 [0,2,0,0,0,0|2,0,0]=4 84 B21R2.372105 COC(=O)C1=CC=C(O1)C2=CC=C(C=C2C(F)(F)F)I MCULE-3709872397 [0,2,0,0,0,0|0,0,0]=2 85 B21R2.109058 O=C(O)C1=NN(C=C1O)C2=C(C=C(C=C2)Cl)C(F)(F)F MCULE-7227486206 [0,2,0,0,0,0|2,0,0]=4 86 B19R2.75 O=CC1=CC=C(C=C1)C2=CC=CC=C2C(F)(F)F MCULE-6767449038 [1,0,0,0,0,1|1,0,0]=3 87 B19R2.75 O=CC1=CC=C(C=C1)C2=CC=CN=C2C(F)(F)F MCULE-1068470916 [1,0,0,0,0,1|2,0,0]=4 88 B19R2.75 O=CC1=CC=C(C=C1)C2=NC=CC=C2C(F)(F)F MCULE-4992176028 [1,0,0,0,0,1|2,0,0]=4 89 B19R2.75 O=CC1=NC=C(C=C1)C2=CC=CC=C2C(F)(F)F MCULE-6557228453 [1,0,0,0,0,1|1,0,0]=3 90 B19R2.75 OCC1=CC=C(C=C1)C2=C(C=CC=C2)C(F)(F)F MCULE-1682416070 [1,0,0,0,0,1|1,0,1]=4 91 B19R2.75 OCC1=CC=C(N=C1)C2=CC=CC=C2C(F)(F)F MCULE-4254105610 [1,0,0,0,0,1|1,0,1]=4 92 B19R2.3223 O=CC1=CC(=CC=C1)C2=CC=CC=C2C(F)(F)F MCULE-4844616587 [1,0,0,0,0,1|1,0,0]=3 93 B19R2.3223 O=CC1=CC=CC(=C1)C2=NC=CC=C2C(F)(F)F MCULE-6720886471 [1,0,0,0,0,1|2,0,0]=4 94 B19R2.3223 OCC1=CC(=CC=C1)C2=CC=CC=C2C(F)(F)F MCULE-7815241758 [1,0,0,0,0,1|1,0,1]=4 95 B19R2.22871 O=CC1=CC=C(O1)C2=CC=CC=C2OC(F)(F)F MCULE-4733491140 [1,0,0,0,0,1|0,0,0]=2 96 B19R2.22871 O=CC1=CN=C(S1)C2=C(C=CC=C2)OC(F)(F)F MCULE-6869947304 [1,0,0,0,0,1|1,1,0]=4 97 B19R2.164676 O=C(O)C1=COC(=N1)C2=C(C=CC=C2)OC(F)F MCULE-8874922465 [1,0,0,0,0,1|2,0,0]=4 98 B19R2.8725 CC(=O)C1=CC=C(S1)C2=CC=CC(=C2)C(F)(F)F MCULE-9837150877 [0,0,0,0,1,1|1,1,0]=4 99 B19R2.8725 NC(=O)C1=CC=C(O1)C2=CC=CC(=C2)C(F)(F)F MCULE-4706911098 [0,0,0,0,1,1|1,0,0]=3 100 B19R2.8725 O=C(Cl)C1=CC=C(O1)C2=CC(=CC=C2)C(F)(F)F MCULE-2582145531 [0,0,0,0,1,1|1,0,0]=3 101 B19R2.8725 O=C(O)C1=CC=C(O1)C2=CC=CC(=C2)C(F)(F)F MCULE-3438119257 [0,0,0,0,1,1|0,0,0]=2 102 B19R2.8725 O=C(O)C1=CC=C(S1)C2=CC(=CC=C2)C(F)(F)F MCULE-7061345739 [0,0,0,0,1,1|0,1,0]=3 103 B19R2.8725 O=C(O)C1=CN=C(S1)C2=CC=CC(=C2)C(F)(F)F MCULE-2984532375 [0,0,0,0,1,1|1,1,0]=4 104 B19R2.8725 O=C(O)C1=CSC(=N1)C2=CC(=CC=C2)C(F)(F)F MCULE-8491650147 [0,0,0,0,1,1|2,0,0]=4 105 B19R2.8725 O=C(O)C1=NC(=CS1)C2=CC(=CC=C2)C(F)(F)F MCULE-9626563109 [0,0,0,0,1,1|2,0,0]=4 106 B19R2.8725 O=C(O)C1=NN(C=C1)C2=CC(=CC=C2)C(F)(F)F MCULE-2019575161 [0,0,0,0,1,1|2,0,0]=4 107 B19R2.8887 O=C(O)C1=C(NN=C1)C2=C(C=CC=C2)C(F)(F)F MCULE-9454371073 [0,0,0,0,1,1|1,0,0]=3 108 B19R2.8887 O=C(O)C1=CN=CN1C2=CC=CC=C2C(F)(F)F MCULE-7441878993 [0,0,0,0,1,1|1,0,0]=3 109 B19R2.8887 O=C([O-])C1=NC=CN1C2=CC=CC=C2C(F)(F)F MCULE-3457600794 [0,0,0,0,1,1|1,0,1]=4 110 B19R2.8887 O=C([O-])C1=NC=CN1C2=CC=CC=C2C(F)(F)F MCULE-9607495163 [0,0,0,0,1,1|1,0,1]=4 111 B21R2.12897 O=C(O)C1=CC=C(C=C1)OC2=C(C=CC=N2)C(F)(F)F MCULE-9767941918 [0,0,0,0,0,2|2,0,0]=4 112 B21R2.12991 NC(=O)C1=CC(=CC=C1)NC2=C(C=CC=C2)C(F)(F)F MCULE-9345505982 [0,0,0,0,0,2|2,0,0]=4 113 B21R2.22368 O=C(O)CC1=CSC(=N1)NC2=C(C=CC=C2)C(F)(F)F MCULE-4410337091 [0,0,0,0,0,2|2,0,0]=4 114 B21R2.253985 O=C(O)C1=CC=C(C=C1)C2=CC=CC=C2OC(F)(F)F MCULE-5015749694 [0,0,0,0,0,2|1,0,0]=3 115 B21R2.253985 O=C(O)C1=CC=C(N=C1)C2=CC=CC=C2OC(F)(F)F MCULE-8389768625 [0,0,0,0,0,2|1,0,0]=3 116 B21R2.22449 O=C(O)CC1=CC(=CC=C1)C2=C(C=CC=C2)C(F)(F)F MCULE-6522320068 [0,0,0,0,0,2|1,0,0]=3 117 B21R2.254975 NC(=O)C1=NC(=CC=C1)C2=C(C=CC=C2)OC(F)(F)F MCULE-1154875627 [0,0,0,0,0,2|2,0,0]=4 118 B21R2.254975 O=C(O)C1=CC(=CC=C1)C2=CC=CC=C2OC(F)(F)F MCULE-7827755989 [0,0,0,0,0,2|1,0,0]=3 119 B21R2.254975 O=C(O)C1=CN=CC(=C1)C2=CC=CC=C2OC(F)(F)F MCULE-5966036358 [0,0,0,0,0,2|1,0,0]=3 120 B21R2.254975 O=C(O)C1=NC(=CC=C1)C2=CC=CC=C2OC(F)(F)F MCULE-6375926486 [0,0,0,0,0,2|1,0,0]=3 121 B21R2.111446 C(=CC1=CC=C(O1)C2=C(C=CC=C2)C(F)(F)F)C(=O)O MCULE-2449611241 [0,0,0,0,0,2|0,0,0]=2 122 B21R2.111446 O=C(O)CCC1=CC=C(O1)C2=C(C=CC=C2)C(F)(F)F MCULE-8796296640 [0,0,0,0,0,2|0,0,0]=2 123 B21R2.111446 O=[N+]([O-])C=CC1=CC=C(O1)C2=CC=CC=C2C(F)(F)F MCULE-9907433068 [0,0,0,0,0,2|1,0,1]=4