0 B15R2.4190 CCC1=C(NC2=CC=CC=C12)C(=O)O MCULE-3891106706 [0,0,0,0,0,0|1,0,1]=2 1 B15R2.4190 CCC1=C(OC2=C1C=CC=C2)C(=O)C MCULE-5158019457 [0,0,0,0,0,0|3,0,1]=4 2 B15R2.4190 CCC1=C(OC2=C1C=CC=C2)C(=O)O MCULE-3914658656 [0,0,0,0,0,0|2,0,1]=3 3 B15R2.4190 CCC1=C(SC2=C1C=CC=C2)C(=O)O MCULE-2304338578 [0,0,0,0,0,0|2,0,1]=3 4 B15R2.4190 CCN1C(=CC2=C1C=CC=C2)C(=O)O MCULE-1938740161 [0,0,0,0,0,0|3,0,1]=4 5 B15R2.4190 CCN1C(=NC2=C1C=CC=C2)C(=O)O MCULE-4994927169 [0,0,0,0,0,0|2,0,2]=4 6 B15R2.4190 COC1=C(NC2=C1C=CC=C2)C(=O)O MCULE-1477450964 [0,0,0,0,0,0|2,0,0]=2 7 B15R2.4190 COC1=C(OC2=C1C=CC=C2)C(=O)O MCULE-7492610808 [0,0,0,0,0,0|3,0,0]=3 8 B15R2.4190 COC1=C(OC2=CN=CC=C12)C(=O)O MCULE-1068874091 [0,0,0,0,0,0|4,0,0]=4 9 B15R2.4190 N#CC1=C(NC2=C1C=CC=C2)C(=O)O MCULE-4097333313 [0,0,0,0,0,0|1,0,1]=2 10 B15R2.4190 NCC1=C(OC2=C1C=CC=C2)C(=O)N MCULE-8757195632 [0,0,0,0,0,0|3,0,1]=4 11 B15R2.4190 O=C(O)C1=C(C2=C(O1)C=CC=C2)CBr MCULE-6423952932 [0,0,0,0,0,0|2,0,1]=3 12 B15R2.4190 O=C(O)C1=C(C2=C(O1)C=CC=C2)CO MCULE-3595021779 [0,0,0,0,0,0|1,0,2]=3 13 B15R2.4190 O=CC1=C(N=C2N1C=CC=C2)C(=O)O MCULE-4471355818 [0,0,0,0,0,0|1,0,1]=2 14 B15R2.4190 O=CC1=C(NC2=CC=CC=C12)C(=O)O MCULE-6870311746 [0,0,0,0,0,0|0,0,0]=0 15 B15R2.4190 O=CC1=C(OC2=C1C=CC=C2)C(=O)O MCULE-3944922922 [0,0,0,0,0,0|1,0,0]=1 16 B14R2.450 CC(=C1CC2=CC=CC=C2C1=O)C MCULE-9258904497 [1,0,0,0,0,0|3,0,0]=4 17 B14R2.450 CC(=O)C1=C(C2=C(N1)C=CC=C2)Br MCULE-1245321757 [1,0,0,0,0,0|2,0,0]=3 18 B14R2.450 CC(=O)C1=C(C2=C(N1)C=CC=C2)C MCULE-6327329064 [1,0,0,0,0,0|1,0,1]=3 19 B14R2.450 CC(=O)C1=C(C2=C(O1)C=CC=C2)Br MCULE-2339324737 [1,0,0,0,0,0|3,0,0]=4 20 B14R2.450 CC(=O)C1=C(C2=C(O1)C=CC=C2)C MCULE-2995459168 [1,0,0,0,0,0|2,0,1]=4 21 B14R2.450 CC(=O)C1=C(C2=C(O1)C=CC=C2)N MCULE-2287238690 [1,0,0,0,0,0|3,0,0]=4 22 B14R2.450 CC(=O)C1=C(C2=C(S1)C=CC=C2)C MCULE-7104128426 [1,0,0,0,0,0|2,0,1]=4 23 B14R2.450 CC(=O)C1=C(C2=C(S1)C=CC=C2)Cl MCULE-4020992555 [1,0,0,0,0,0|3,0,0]=4 24 B14R2.450 CC(=O)C1=C(C2=C(S1)C=CC=C2)O MCULE-7119455274 [1,0,0,0,0,0|2,0,1]=4 25 B14R2.450 CC(=O)N1SC2=CC=CC=C2C1=O MCULE-6894252208 [1,0,0,0,0,0|3,0,0]=4 26 B14R2.450 CC1=C(CC2=C1C=CC=C2)C(=O)O MCULE-3711440126 [1,0,0,0,0,0|1,0,1]=3 27 B14R2.450 CC1=C(CC2=CC=CC=C12)C(=O)Cl MCULE-4380689132 [1,0,0,0,0,0|2,0,1]=4 28 B14R2.450 CC1=C(N=C2N1C=CC=C2)C(=O)O MCULE-4453559837 [1,0,0,0,0,0|1,0,2]=4 29 B14R2.450 CC1=C(NC2=CC=CC=C12)C(=O)N MCULE-3064868366 [1,0,0,0,0,0|1,0,1]=3 30 B14R2.450 CC1=C(NC2=CC=CC=C12)C(=O)O MCULE-7311271488 [1,0,0,0,0,0|0,0,1]=2 31 B14R2.450 CC1=C(NC2=NC=CC=C12)C(=O)O MCULE-3669163304 [1,0,0,0,0,0|1,0,1]=3 32 B14R2.450 CC1=C(OC2=C1C=CC=C2)C(=O)Cl MCULE-6245232546 [1,0,0,0,0,0|2,0,1]=4 33 B14R2.450 CC1=C(OC2=C1C=CC=C2)C(=O)O MCULE-5635567155 [1,0,0,0,0,0|1,0,1]=3 34 B14R2.450 CC1=C(OC2=C1C=CC=C2)C(=O)[O-] MCULE-4798521787 [1,0,0,0,0,0|1,0,2]=4 35 B14R2.450 CC1=C(OC2=CC=CC=C12)C(=O)N MCULE-4357165981 [1,0,0,0,0,0|2,0,1]=4 36 B14R2.450 CC1=C(OC2=CC=CN=C12)C(=O)O MCULE-1128462391 [1,0,0,0,0,0|2,0,1]=4 37 B14R2.450 CC1=C(SC2=C1C=CC=C2)C(=O)O MCULE-9314199686 [1,0,0,0,0,0|1,0,1]=3 38 B14R2.450 CC1=C(SC2=CC=CC=C12)C(=O)Cl MCULE-3778986031 [1,0,0,0,0,0|2,0,1]=4 39 B14R2.450 CC1=C(SC2=NC=CC=C12)C(=O)O MCULE-8780048190 [1,0,0,0,0,0|2,0,1]=4 40 B14R2.450 CC1=C2C=CC=CN2N=C1C(=O)O MCULE-8340820719 [1,0,0,0,0,0|1,0,2]=4 41 B14R2.450 CC1C(=CC2=C1C=CC=C2)C(=O)O MCULE-1585556218 [1,0,0,0,0,0|1,0,2]=4 42 B14R2.450 CN1C(=CC2=C1C=CC=C2)C(=O)O MCULE-7606431397 [1,0,0,0,0,0|2,0,1]=4 43 B14R2.450 CN1C(=NC2=C1C=CC=C2)C(=O)O MCULE-7879762670 [1,0,0,0,0,0|1,0,2]=4 44 B14R2.450 CN1C2=CC=CC=C2N=C1C(=O)O MCULE-4411387521 [1,0,0,0,0,0|1,0,2]=4 45 B14R2.450 NC(=O)C1=C(C2=C(O1)C=CC=C2)N MCULE-8325698534 [1,0,0,0,0,0|3,0,0]=4 46 B14R2.450 NC(=O)C1=C(C2=CC=CC=C2S1)Cl MCULE-8125450230 [1,0,0,0,0,0|3,0,0]=4 47 B14R2.450 NC(=O)C1=C(C2=CC=CC=C2S1)N MCULE-9206749194 [1,0,0,0,0,0|3,0,0]=4 48 B14R2.450 NC(=O)N1SC2=CC=CC=C2C1=O MCULE-5401995317 [1,0,0,0,0,0|3,0,0]=4 49 B14R2.450 NC1=C(SC2=C1C=CC=C2)C(=O)O MCULE-8177351868 [1,0,0,0,0,0|2,0,0]=3 50 B14R2.450 NC1=C(SC2=CC=CN=C12)C(=O)O MCULE-1879021104 [1,0,0,0,0,0|3,0,0]=4 51 B14R2.450 NC1=C(SC2=NC=CC=C12)C(=O)O MCULE-1286863964 [1,0,0,0,0,0|3,0,0]=4 52 B14R2.450 O=C(Cl)C1=C(C2=C(S1)C=CC=C2)Cl MCULE-5071823548 [1,0,0,0,0,0|3,0,0]=4 53 B14R2.450 O=C(O)C1=C(C2=C(N1)C=CC=C2)Br MCULE-7116187068 [1,0,0,0,0,0|1,0,0]=2 54 B14R2.450 O=C(O)C1=C(C2=C(N1)C=CC=C2)I MCULE-6991847846 [1,0,0,0,0,0|1,0,0]=2 55 B14R2.450 O=C(O)C1=C(C2=C(N1)C=CN=C2)Br MCULE-7378796245 [1,0,0,0,0,0|2,0,0]=3 56 B14R2.450 O=C(O)C1=C(C2=C(N1)C=CN=C2)I MCULE-6456901770 [1,0,0,0,0,0|2,0,0]=3 57 B14R2.450 O=C(O)C1=C(C2=C(O1)C=CC=C2)Br MCULE-5935270406 [1,0,0,0,0,0|2,0,0]=3 58 B14R2.450 O=C(O)C1=C(C2=C(O1)C=CC=C2)Cl MCULE-8117415241 [1,0,0,0,0,0|2,0,0]=3 59 B14R2.450 O=C(O)C1=C(C2=C(S1)C=CC=C2)Cl MCULE-2104684798 [1,0,0,0,0,0|2,0,0]=3 60 B14R2.450 O=C(O)C1=C(C2=C(S1)C=CC=C2)O MCULE-9036634750 [1,0,0,0,0,0|1,0,1]=3 61 B14R2.450 O=C(O)C1=C(C2=C(S1)N=CC=C2)Cl MCULE-8108339258 [1,0,0,0,0,0|3,0,0]=4 62 B14R2.450 O=C(O)C1=C(C2=CC=CC=C2N1)Cl MCULE-1448924250 [1,0,0,0,0,0|1,0,0]=2 63 B14R2.450 O=C(O)C1=C(C2=CC=CC=C2N1)F MCULE-1364162237 [1,0,0,0,0,0|1,0,0]=2 64 B14R2.450 O=C(O)C1=C(C2=CC=CC=C2S1)Br MCULE-7407909755 [1,0,0,0,0,0|2,0,0]=3 65 B14R2.450 O=C(O)C1=C(C2=CC=CC=C2[Se]1)Br MCULE-2855526661 [1,0,0,0,0,0|2,0,0]=3 66 B14R2.450 O=C(O)C1=C(C2=CC=CN=C2N1)F MCULE-6935527203 [1,0,0,0,0,0|2,0,0]=3 67 B14R2.450 O=C(O)C1=C(C2=CC=CN=C2S1)Br MCULE-7677909143 [1,0,0,0,0,0|3,0,0]=4 68 B14R2.450 O=C(O)C1=C(C2=CC=CN=C2S1)O MCULE-2540034014 [1,0,0,0,0,0|2,0,1]=4 69 B14R2.450 O=C(O)C1=C(C2=CC=NC=C2O1)O MCULE-8892160122 [1,0,0,0,0,0|2,0,1]=4 70 B14R2.450 O=C(O)C1=C(C2=NC=CC=C2S1)Br MCULE-6296267164 [1,0,0,0,0,0|3,0,0]=4 71 B14R2.450 O=C(O)C1=C(C2=NC=CC=C2S1)Cl MCULE-2913720274 [1,0,0,0,0,0|3,0,0]=4 72 B14R2.450 O=C(O)C1=C(N2C=CC=CC2=N1)Br MCULE-7289374427 [1,0,0,0,0,0|2,0,1]=4 73 B14R2.450 O=C(O)C1=C(N2C=CC=CC2=N1)Cl MCULE-3703711244 [1,0,0,0,0,0|2,0,1]=4 74 B14R2.450 O=C(O)C1=C(N2C=CC=CC2=N1)F MCULE-1146020125 [1,0,0,0,0,0|2,0,1]=4 75 B14R2.450 O=C(O)C1=C(N2C=CC=CC2=N1)F MCULE-1947781628 [1,0,0,0,0,0|2,0,1]=4 76 B14R2.450 O=C(O)C1=C(N2C=CC=CC2=N1)I MCULE-2847493000 [1,0,0,0,0,0|2,0,1]=4 77 B14R2.450 O=C(O)C1=CC2=CC=CC=C2N1O MCULE-8611184311 [1,0,0,0,0,0|2,0,1]=4 78 B14R2.450 O=C(O)C1=NC2=CC=CC=C2N1O MCULE-9919387878 [1,0,0,0,0,0|1,0,2]=4 79 B14R2.450 O=C(O)C1=NN2C=CC=CC2=C1Br MCULE-1896459814 [1,0,0,0,0,0|2,0,1]=4 80 B14R2.450 O=C(O)C1CC2=CC=CC=C2S1=O MCULE-6449227918 [1,0,0,0,0,0|2,0,1]=4 81 B14R2.1129 CCC1=C(C2=C(O1)C=CC=C2)C=O MCULE-5345847813 [1,0,0,0,0,0|2,0,1]=4 82 B14R2.1129 CCC1=C(C2=CC=CC=C2S1)C=O MCULE-6672655269 [1,0,0,0,0,0|2,0,1]=4 83 B16R2.3529 C=CCN1C(=CC2=C1C=CC=C2)C(=O)O MCULE-6943562444 [0,1,0,0,0,0|3,0,0]=4 84 B16R2.3529 CCCC1=C(SC2=CC=CC=C12)C(=O)O MCULE-9300553101 [0,1,0,0,0,0|2,0,1]=4 85 B16R2.3529 CCOC1=C(OC2=CC=CC=C12)C(=O)O MCULE-3172039951 [0,1,0,0,0,0|2,0,1]=4 86 B16R2.3529 COCC1=C(OC2=C1C=CC=C2)C(=O)O MCULE-3576214832 [0,1,0,0,0,0|1,0,2]=4 87 B16R2.3529 COCC1=C(SC2=C1C=CC=C2)C(=O)O MCULE-4294327610 [0,1,0,0,0,0|1,0,2]=4 88 B16R2.3529 CSCC1=C(OC2=C1C=CC=C2)C(=O)O MCULE-2286516921 [0,1,0,0,0,0|1,1,1]=4 89 B16R2.3529 CSCC1=C(SC2=C1C=CC=C2)C(=O)O MCULE-8549435411 [0,1,0,0,0,0|1,1,1]=4 90 B16R2.3529 NCCC1=C(NC2=C1C=CC=C2)C(=O)O MCULE-3796310055 [0,1,0,0,0,0|1,0,1]=3 91 B16R2.3529 NCCC1=C(NC2=C1C=CC=C2)C(=O)O MCULE-6199497253 [0,1,0,0,0,0|1,0,1]=3 92 B16R2.6151 CC(C)(C)C1=C(C2=CC=CC=C2N1)C=O MCULE-2102522582 [0,1,0,0,0,0|2,0,1]=4 93 B16R2.6152 CNC(=O)C1=C(C2=C(N1)C=CC=C2)C=O MCULE-8699262502 [0,1,0,0,0,0|1,0,0]=2 94 B16R2.6152 COC(=O)C1=C(C2=C(N1)C=CC=C2)CN MCULE-1703129078 [0,1,0,0,0,0|1,0,1]=3 95 B16R2.6152 COC(=O)C1=C(C2=C(O1)C=CC=C2)CBr MCULE-5077211782 [0,1,0,0,0,0|2,0,1]=4 96 B16R2.6152 COC(=O)C1=C(C2=C(S1)C=CC=C2)CBr MCULE-2550087211 [0,1,0,0,0,0|2,0,1]=4 97 B16R2.6152 COC(=O)C1=C(C2=C(S1)C=CC=C2)CN MCULE-1229695226 [0,1,0,0,0,0|2,0,1]=4 98 B16R2.6152 COC(=O)C1=C(C2=C(S1)C=CC=C2)CN MCULE-8740829926 [0,1,0,0,0,0|2,0,1]=4 99 B16R2.6152 COC(=O)C1=C(C2=CC=CC=C2N1)C=O MCULE-6120125359 [0,1,0,0,0,0|0,0,0]=1 100 B16R2.6152 COC(=O)C1=NN2C=CC=CC2=C1C=O MCULE-6828555840 [0,1,0,0,0,0|1,0,1]=3 101 B16R2.10979 CN(C)C1=C(C2=CC=C(C=C2N1)Br)C=O MCULE-9749498872 [0,1,0,0,0,0|3,0,0]=4 102 B16R2.10979 COC1=C(SC2=CC(=CC=C12)Cl)C(=O)O MCULE-8412800186 [0,1,0,0,0,0|3,0,0]=4 103 B16R2.10979 O=CC1=C(NC2=C1C=CC(=C2)Br)C(=O)O MCULE-8441107080 [0,1,0,0,0,0|0,0,0]=1 104 B16R2.10979 O=CC1=C(NC2=CC(=CC=C12)Cl)C(=O)O MCULE-4267253296 [0,1,0,0,0,0|0,0,0]=1 105 B16R2.11036 CC1=CC=C2NC(=C(C2=C1)C=O)C(=O)O MCULE-7808889147 [0,1,0,0,0,0|0,0,0]=1 106 B16R2.11036 CCC1=C(NC2=C1C=C(C=C2)Br)C(=O)O MCULE-4596666464 [0,1,0,0,0,0|1,0,1]=3 107 B16R2.11036 CCC1=C(NC2=C1C=C(C=C2)C)C(=O)O MCULE-5420640612 [0,1,0,0,0,0|1,0,1]=3 108 B16R2.11036 CCC1=C(NC2=C1C=C(C=C2)F)C(=O)O MCULE-5237873651 [0,1,0,0,0,0|1,0,1]=3 109 B16R2.11036 CCC1=C(OC2=C1C=C(C=C2)Br)C(=O)O MCULE-1859618430 [0,1,0,0,0,0|2,0,1]=4 110 B16R2.11036 CCC1=C(OC2=C1C=C(C=C2)Cl)C(=O)O MCULE-8085528716 [0,1,0,0,0,0|2,0,1]=4 111 B16R2.11036 CN(C)C1=C(C2=C(N1)C=CC(=C2)Br)C=O MCULE-8008285728 [0,1,0,0,0,0|3,0,0]=4 112 B16R2.11036 COC1=C(OC2=CC=C(C=C12)C)C(=O)O MCULE-4899384157 [0,1,0,0,0,0|3,0,0]=4 113 B16R2.11036 O=CC1=C(NC2=CC=C(C=C12)Br)C(=O)O MCULE-9032384157 [0,1,0,0,0,0|0,0,0]=1 114 B16R2.11036 O=CC1=C(NC2=CC=C(C=C12)Cl)C(=O)O MCULE-2624971426 [0,1,0,0,0,0|0,0,0]=1 115 B16R2.11036 O=CC1=C(NC2=CC=C(C=C12)F)C(=O)O MCULE-1097060392 [0,1,0,0,0,0|0,0,0]=1 116 B16R2.27456 CC(=O)C1=C(C2=C(N1)C=CC=C2)C(=O)C MCULE-2234468137 [0,1,0,0,0,0|1,0,0]=2 117 B16R2.27456 CC(=O)C1=C(C2=C(N1)C=CC=C2)C(=O)O MCULE-9438145992 [0,1,0,0,0,0|1,0,0]=2 118 B16R2.27456 CC(=O)C1=C(C2=C(S1)C=CC=C2)C(=O)O MCULE-1093271298 [0,1,0,0,0,0|2,0,0]=3 119 B16R2.27456 CC(=O)N1C(=CC2=C1C=CC=C2)C(=O)O MCULE-9892038404 [0,1,0,0,0,0|2,0,0]=3 120 B16R2.27456 CC(=O)N1C2=C(C=CC=C2)CC1C(=O)O MCULE-2500341213 [0,1,0,0,0,0|2,0,1]=4 121 B16R2.27456 CC(=O)N1C2=C(C=CC=C2)C[C@@H]1C(=O)O MCULE-8117576936 [0,1,0,0,0,0|2,0,1]=4 122 B16R2.27456 CC(=O)N1C2=C(C=CC=C2)C[C@H]1C(=O)O MCULE-7247898090 [0,1,0,0,0,0|2,0,1]=4 123 B16R2.27456 CC(=O)N1C2=C(C=CC=C2)C[C@H]1C(=O)O MCULE-7537804788 [0,1,0,0,0,0|2,0,1]=4 124 B16R2.27456 O=C(O)C1=C(C2=C(N1)C=CC=C2)C(=O)O MCULE-3265201244 [0,1,0,0,0,0|0,0,0]=1 125 B16R2.27456 O=C(O)C1=C(C2=C(O1)C=CC=C2)C(=O)O MCULE-1654974651 [0,1,0,0,0,0|1,0,0]=2 126 B16R2.27456 O=C(O)C1=C(C2=CC=CC=C2N1)N(=O)=O MCULE-8918006444 [0,1,0,0,0,0|1,0,0]=2 127 B16R2.27456 O=C(O)C1=CN2C=CC=CC2=C1C(=O)O MCULE-8894724870 [0,1,0,0,0,0|2,0,0]=3 128 B16R2.27456 O=C(O)C1=NN2C=CC=CC2=C1C(=O)O MCULE-9409042288 [0,1,0,0,0,0|1,0,1]=3 129 B16R2.48851 CN1C2=CC=CC=C2C(=C1C(=O)O)C=O MCULE-2079507527 [0,1,0,0,0,0|0,0,0]=1 130 B16R2.72969 CN(C)C1=C(C2=C(C=CC=C2N1)Br)C=O MCULE-9632849865 [0,1,0,0,0,0|3,0,0]=4 131 B16R2.72969 CN(C)C1=C(C2=C(C=CC=C2N1)I)C=O MCULE-3179115798 [0,1,0,0,0,0|3,0,0]=4 132 B14R1.980 O=CNC(CC1=CC=CC=C1)C(=O)O MCULE-1556848559 [0,0,1,0,0,0|2,0,1]=4 133 B14R1.980 O=CN[C@@H](CC1=CC=CC=C1)C(=O)O MCULE-1503788310 [0,0,1,0,0,0|2,0,1]=4 134 B14R1.980 O=CN[C@@H](CC1=CC=CC=C1)C(=O)O MCULE-2880988582 [0,0,1,0,0,0|2,0,1]=4 135 B14R1.980 O=CN[C@H](CC1=CC=CC=C1)C(=O)O MCULE-1759344415 [0,0,1,0,0,0|2,0,1]=4 136 B14R1.980 O=CN[C@H](CC1=CC=CC=C1)C(=O)O MCULE-8899759329 [0,0,1,0,0,0|2,0,1]=4 137 B14R1.1027 CC(C(=O)O)N(C=O)C1=CC=CC=C1 MCULE-2218882878 [0,0,1,0,0,0|2,0,1]=4 138 B16R3.3329 BrC1=CC=CC2=C1NC3=C2C=CC=C3 MCULE-4840876718 [0,0,0,1,0,0|3,0,0]=4 139 B16R3.3329 BrC1=NC=CC2=C1NC3=C2C=CC=C3 MCULE-3912879453 [0,0,0,1,0,0|3,0,0]=4 140 B16R3.3329 CC1=CC=CC2=C1NC3=C2C=CC=C3 MCULE-8739693160 [0,0,0,1,0,0|3,0,0]=4 141 B16R3.3329 CC1=NC=CC2=C1NC3=C2C=CC=C3 MCULE-5624408480 [0,0,0,1,0,0|3,0,0]=4 142 B16R3.3329 CC1=NC=CC2=C1NC3=CC=CC=C23 MCULE-7967173312 [0,0,0,1,0,0|3,0,0]=4 143 B16R3.3329 ClC1=CC=CC2=C1NC3=C2C=CC=C3 MCULE-9311683530 [0,0,0,1,0,0|3,0,0]=4 144 B16R3.3329 ClC1=NN=CC2=C1NC3=C2C=CC=C3 MCULE-2029786487 [0,0,0,1,0,0|3,0,0]=4 145 B16R3.3329 FC1=C2NC3=C(C2=CC=C1)C=CC=C3 MCULE-9316723264 [0,0,0,1,0,0|3,0,0]=4 146 B16R3.3329 NC1=CC=CC2=C1NC3=CC=CC=C23 MCULE-9073642155 [0,0,0,1,0,0|3,0,0]=4 147 B16R3.3329 O=C1CCCC2=C1NC3=C2C=CC=C3 MCULE-8165438115 [0,0,0,1,0,0|2,0,1]=4 148 B16R3.3329 O=C1NC=CC2=C1NC3=C2C=CC=C3 MCULE-7536068251 [0,0,0,1,0,0|2,0,0]=3 149 B16R3.3329 O=C1NC=NC2=C1NC3=C2C=CC=C3 MCULE-5202535583 [0,0,0,1,0,0|3,0,0]=4 150 B16R3.3329 O=C1NCCC2=C1NC3=C2C=CC=C3 MCULE-9673359265 [0,0,0,1,0,0|2,0,1]=4 151 B16R3.3329 O=C1NN=CC2=C1NC3=CC=CC=C23 MCULE-3054406305 [0,0,0,1,0,0|2,0,0]=3 152 B16R3.3329 O=C1NN=CC2=C1OC3=CC=CC=C23 MCULE-4350682115 [0,0,0,1,0,0|3,0,0]=4 153 B16R3.3329 OC1=C2SC3=CC=CC=C3C2=CC=C1 MCULE-9900976479 [0,0,0,1,0,0|3,0,0]=4 154 B16R3.3329 OC1=CC=CC2=C1CC3=C2C=CC=C3 MCULE-5681797454 [0,0,0,1,0,0|3,0,0]=4 155 B16R3.3329 OC1=CC=CC2=C1NC3=CC=CC=C23 MCULE-2067221726 [0,0,0,1,0,0|2,0,0]=3 156 B16R3.3329 OC1=CC=CC2=C1OC3=C2C=CC=C3 MCULE-4847970570 [0,0,0,1,0,0|3,0,0]=4 157 B14R2.4281 O=CC1=C(NC2=C1SC=C2)C(=O)O MCULE-4956221282 [0,0,0,0,1,0|1,0,0]=2 158 B16R2.1612 CCC1=NC2=CC=CC=C2C=C1C(=O)O MCULE-9309253630 [0,0,0,0,0,1|2,0,1]=4 159 B16R2.1612 CCC1=NC2=CC=CC=C2C=C1C(=O)O MCULE-9943868263 [0,0,0,0,0,1|2,0,1]=4 160 B16R2.1612 CCC1=NC2=CC=CC=C2N=C1C(=O)O MCULE-7422861144 [0,0,0,0,0,1|1,0,2]=4 161 B16R2.1612 CNC1=CC2=CC=CC=C2C=C1C(=O)O MCULE-4121671229 [0,0,0,0,0,1|3,0,0]=4 162 B16R2.1612 CNC1=CC2=CC=CC=C2C=C1C(=O)O MCULE-9243609497 [0,0,0,0,0,1|3,0,0]=4 163 B16R2.1612 COC1=CC2=CC=CC=C2C=C1C(=O)O MCULE-5099340281 [0,0,0,0,0,1|3,0,0]=4 164 B16R2.1612 COC1=NC2=C(C=CC=C2)C=C1C(=O)O MCULE-9803260004 [0,0,0,0,0,1|3,0,0]=4 165 B16R2.1612 COC1=NC2=C(C=CC=C2)N=C1C(=O)O MCULE-6797227299 [0,0,0,0,0,1|2,0,1]=4 166 B16R2.1612 O=CN1CC2=CC=CC=C2CC1C(=O)O MCULE-5647298262 [0,0,0,0,0,1|2,0,1]=4 167 B16R2.6148 COC1=C(C=CC2=CC=CC=C12)C(=O)O MCULE-8294591738 [0,0,0,0,0,1|3,0,0]=4 168 B16R2.6148 COC1=C2C=CC=CC2=NC=C1C(=O)O MCULE-4748049947 [0,0,0,0,0,1|2,0,1]=4 169 B16R2.6150 CC(C)OC1=C(C2=CC=CC=C2N1)C=O MCULE-9413533503 [0,0,0,0,0,1|2,0,1]=4 170 B16R2.6150 COC1=C(SC2=CC=CC=C12)CC(=O)O MCULE-6491752444 [0,0,0,0,0,1|3,0,0]=4 171 B16R2.6150 N#CC1=C(SC2=C1C=CC=C2)NC(=O)O MCULE-5746613938 [0,0,0,0,0,1|2,0,1]=4 172 B16R2.40082 COC1=C2C=CC=CC2=CC(=N1)C(=O)O MCULE-9034776112 [0,0,0,0,0,1|3,0,0]=4 173 B16R2.40082 COC1=C2C=CC=CC2=NC(=C1)C(=O)O MCULE-4219452858 [0,0,0,0,0,1|2,0,1]=4 174 B13R1.90 C=CC1=CC=CC=C1OCC(=O)O MCULE-2322182634 [1,0,1,0,0,0|1,0,1]=4 175 B13R1.90 O=CC1=C(C=CC=C1)C=CC(=O)O MCULE-7574152827 [1,0,1,0,0,0|1,0,0]=3 176 B13R1.90 O=CC1=CC=CC=C1/C=C/C(=O)O MCULE-8544601791 [1,0,1,0,0,0|1,0,0]=3 177 B13R1.90 O=CC1=CC=CC=C1OCC(=O)O MCULE-7880702668 [1,0,1,0,0,0|1,0,1]=4 178 B13R1.152 CC(C(=O)O)C(=O)C1=CC=CC=C1 MCULE-2353668236 [1,0,1,0,0,0|1,0,1]=4 179 B13R1.713 CCC(=CC(=O)O)C1=CC=CC=C1 MCULE-7741650044 [1,0,1,0,0,0|1,0,1]=4 180 B13R1.713 O=CN(CC(=O)O)C1=CC=CC=C1 MCULE-1669781512 [1,0,1,0,0,0|1,0,1]=4 181 B13R1.201 CC(=CC(=O)O)C1=C(C=CC=C1)C MCULE-8787555330 [1,0,1,0,0,0|1,0,1]=4 182 B13R1.201 O=C(O)CC(=O)C1=CC=CC=C1Cl MCULE-2599664916 [1,0,1,0,0,0|1,0,1]=4 183 B13R2.45 CC1=C(NC2=CC=CC=C12)C=O MCULE-2212682343 [2,0,0,0,0,0|0,0,1]=3 184 B13R2.45 CC1=C(NC2=NC=CC=C12)C=O MCULE-7271487687 [2,0,0,0,0,0|1,0,1]=4 185 B13R2.45 CC1=C(OC2=C1C=CC=C2)C=O MCULE-6060243534 [2,0,0,0,0,0|1,0,1]=4 186 B13R2.45 CC1=C(SC2=C1C=CC=C2)C=O MCULE-8279131283 [2,0,0,0,0,0|1,0,1]=4 187 B13R2.45 N/C=C\1/CC2=C(C1=O)C=CC=C2 MCULE-8352048415 [2,0,0,0,0,0|2,0,0]=4 188 B13R2.45 N/N=C\1/NC2=C(C1=O)C=CC=C2 MCULE-2986602091 [2,0,0,0,0,0|2,0,0]=4 189 B13R2.45 NC=C1CC2=C(C1=O)C=CC=C2 MCULE-2078349056 [2,0,0,0,0,0|2,0,0]=4 190 B13R2.45 O=C1C(=NO)CC2=C1C=CC=C2 MCULE-8835587157 [2,0,0,0,0,0|2,0,0]=4 191 B13R2.45 O=CC1=C(C2=C(N1)C=CC=C2)Br MCULE-3213661864 [2,0,0,0,0,0|1,0,0]=3 192 B13R2.45 O=CC1=C(C2=C(N1)C=CC=C2)I MCULE-6531227829 [2,0,0,0,0,0|1,0,0]=3 193 B13R2.45 O=CC1=C(C2=C(O1)C=CC=C2)Br MCULE-8794962850 [2,0,0,0,0,0|2,0,0]=4 194 B13R2.45 O=CC1=C(C2=C(O1)C=CC=C2)Cl MCULE-7286148891 [2,0,0,0,0,0|2,0,0]=4 195 B13R2.45 O=CC1=C(C2=C(S1)C=CC=C2)Cl MCULE-4113746359 [2,0,0,0,0,0|2,0,0]=4 196 B13R2.45 O=CC1=C(C2=CC=CC=C2C1)Cl MCULE-5971611961 [2,0,0,0,0,0|2,0,0]=4 197 B13R2.45 O=CC1=C(C2=CC=CC=C2N1)Cl MCULE-8715164541 [2,0,0,0,0,0|1,0,0]=3 198 B13R2.45 O=CC1=C(C2=CC=CC=C2S1)Br MCULE-3162330606 [2,0,0,0,0,0|2,0,0]=4 199 B13R2.45 O=CC1=C(C2=CC=CC=C2S1)O MCULE-1907962130 [2,0,0,0,0,0|1,0,1]=4 200 B13R2.45 O=C\1C2=C(C=CC=C2)C/C1=N/O MCULE-9613114489 [2,0,0,0,0,0|2,0,0]=4 201 B13R2.45 O=C\1C2=C(C=CC=C2)N/C1=N/O MCULE-6310266173 [2,0,0,0,0,0|1,0,0]=3 202 B13R2.45 O=C\1C2=CC=CC=C2C/C1=N\O MCULE-5035507270 [2,0,0,0,0,0|2,0,0]=4 203 B13R2.435 CC(=O)C1=CC2=CC=CC=C2N1 MCULE-7713612036 [2,0,0,0,0,0|1,0,0]=3 204 B13R2.435 CC(=O)C1=CC2=CC=CC=C2O1 MCULE-3860132168 [2,0,0,0,0,0|2,0,0]=4 205 B13R2.435 CC(=O)C1=CC2=CC=CC=C2S1 MCULE-3019120601 [2,0,0,0,0,0|2,0,0]=4 206 B13R2.435 CC(=O)C1=NC2=C(N1)C=CC=C2 MCULE-1508042428 [2,0,0,0,0,0|2,0,0]=4 207 B13R2.435 CC(O)C1=CC2=C(N1)C=CC=C2 MCULE-1784912298 [2,0,0,0,0,0|1,0,1]=4 208 B13R2.435 N=C(N)C1=CC2=C(N1)C=CC=C2 MCULE-3646754813 [2,0,0,0,0,0|2,0,0]=4 209 B13R2.435 N=C(N)C1=CC2=C(N1)C=CC=C2 MCULE-7892184487 [2,0,0,0,0,0|2,0,0]=4 210 B13R2.435 NC(=O)C1=CC2=C(N1)C=CC=C2 MCULE-1991794392 [2,0,0,0,0,0|1,0,0]=3 211 B13R2.435 NC(=O)C1=CC2=C(N1)C=CN=C2 MCULE-5504087703 [2,0,0,0,0,0|2,0,0]=4 212 B13R2.435 NC(=O)C1=CC2=C(S1)C=CC=C2 MCULE-8747688649 [2,0,0,0,0,0|2,0,0]=4 213 B13R2.435 NC(=O)C1=CC2=CC=CC=C2O1 MCULE-5061345904 [2,0,0,0,0,0|2,0,0]=4 214 B13R2.435 NC(=O)C1=CC2=CC=CN=C2N1 MCULE-2398947050 [2,0,0,0,0,0|2,0,0]=4 215 B13R2.435 NC(=O)C1=NC2=CC=CC=C2N1 MCULE-1041784665 [2,0,0,0,0,0|2,0,0]=4 216 B13R2.435 NC(=S)C1=CC2=C(N1)C=CC=C2 MCULE-7578261041 [2,0,0,0,0,0|1,1,0]=4 217 B13R2.435 O=C(Cl)C1=CC2=C(O1)C=CC=C2 MCULE-2346289347 [2,0,0,0,0,0|2,0,0]=4 218 B13R2.435 O=C(Cl)C1=CC2=CC=CC=C2N1 MCULE-1112741466 [2,0,0,0,0,0|1,0,0]=3 219 B13R2.435 O=C(Cl)C1=CC2=CC=CC=C2S1 MCULE-4152492465 [2,0,0,0,0,0|2,0,0]=4 220 B13R2.435 O=C(Cl)C1=NC2=C(N1)C=CC=C2 MCULE-1567704421 [2,0,0,0,0,0|2,0,0]=4 221 B13R2.435 O=C(Cl)C1=NC2=C(N1)C=CC=C2 MCULE-3764588146 [2,0,0,0,0,0|2,0,0]=4 222 B13R2.435 O=C(O)C1=CC2=C(C1)C=CC=C2 MCULE-2006282606 [2,0,0,0,0,0|1,0,0]=3 223 B13R2.435 O=C(O)C1=CC2=C(N1)C=CC=C2 MCULE-2072698467 [2,0,0,0,0,0|0,0,0]=2 224 B13R2.435 O=C(O)C1=CC2=C(N1)C=CC=N2 MCULE-7749752991 [2,0,0,0,0,0|1,0,0]=3 225 B13R2.435 O=C(O)C1=CC2=C(N1)C=CN=C2 MCULE-2157960265 [2,0,0,0,0,0|1,0,0]=3 226 B13R2.435 O=C(O)C1=CC2=C(N1)C=NC=C2 MCULE-3244427248 [2,0,0,0,0,0|1,0,0]=3 227 B13R2.435 O=C(O)C1=CC2=C(N1)N=CC=C2 MCULE-2740115554 [2,0,0,0,0,0|1,0,0]=3 228 B13R2.435 O=C(O)C1=CC2=C(N1)N=CC=C2 MCULE-9038992224 [2,0,0,0,0,0|1,0,0]=3 229 B13R2.435 O=C(O)C1=CC2=C(O1)C=CC=C2 MCULE-5646971945 [2,0,0,0,0,0|1,0,0]=3 230 B13R2.435 O=C(O)C1=CC2=C(O1)C=CC=N2 MCULE-7751101211 [2,0,0,0,0,0|2,0,0]=4 231 B13R2.435 O=C(O)C1=CC2=C(O1)C=CC=N2 MCULE-8671592027 [2,0,0,0,0,0|2,0,0]=4 232 B13R2.435 O=C(O)C1=CC2=C(O1)C=CN=C2 MCULE-5718323690 [2,0,0,0,0,0|2,0,0]=4 233 B13R2.435 O=C(O)C1=CC2=C(O1)C=NC=C2 MCULE-4730892371 [2,0,0,0,0,0|2,0,0]=4 234 B13R2.435 O=C(O)C1=CC2=C(S1)C=CC=C2 MCULE-6165149428 [2,0,0,0,0,0|1,0,0]=3 235 B13R2.435 O=C(O)C1=CC2=C(S1)C=CC=N2 MCULE-8116295878 [2,0,0,0,0,0|2,0,0]=4 236 B13R2.435 O=C(O)C1=CC2=C(S1)C=CN=C2 MCULE-1746735081 [2,0,0,0,0,0|2,0,0]=4 237 B13R2.435 O=C(O)C1=CC2=C(S1)C=NC=C2 MCULE-8160403480 [2,0,0,0,0,0|2,0,0]=4 238 B13R2.435 O=C(O)C1=CC2=C(S1)N=CC=C2 MCULE-6946990257 [2,0,0,0,0,0|2,0,0]=4 239 B13R2.435 O=C(O)C1=CC2=C([Se]1)C=CC=C2 MCULE-8555452372 [2,0,0,0,0,0|1,0,0]=3 240 B13R2.435 O=C(O)C1=CC2=CC=CN=C2O1 MCULE-1574352280 [2,0,0,0,0,0|2,0,0]=4 241 B13R2.435 O=C(O)C1=CC2=CN=CC=C2N1 MCULE-4461016334 [2,0,0,0,0,0|1,0,0]=3 242 B13R2.435 O=C(O)C1=CC2=CN=CN=C2N1 MCULE-9163239041 [2,0,0,0,0,0|2,0,0]=4 243 B13R2.435 O=C(O)C1=CC2=CNC=CC2=N1 MCULE-6538440316 [2,0,0,0,0,0|1,0,1]=4 244 B13R2.435 O=C(O)C1=CC2=NC=CN=C2N1 MCULE-7718258152 [2,0,0,0,0,0|2,0,0]=4 245 B13R2.435 O=C(O)C1=CC2=NC=NC=C2N1 MCULE-1468488622 [2,0,0,0,0,0|2,0,0]=4 246 B13R2.435 O=C(O)C1=CN2C=CC=CC2=C1 MCULE-9572930080 [2,0,0,0,0,0|2,0,0]=4 247 B13R2.435 O=C(O)C1=CN2C=CC=CC2=N1 MCULE-3917630374 [2,0,0,0,0,0|1,0,1]=4 248 B13R2.435 O=C(O)C1=CN2C=CC=CC2=N1 MCULE-6398209195 [2,0,0,0,0,0|1,0,1]=4 249 B13R2.435 O=C(O)C1=CN2C=CC=CC2=N1 MCULE-7715874123 [2,0,0,0,0,0|1,0,1]=4 250 B13R2.435 O=C(O)C1=NC2=C(N1)C=CC=C2 MCULE-1651833296 [2,0,0,0,0,0|1,0,0]=3 251 B13R2.435 O=C(O)C1=NC2=C(N1)C=CN=C2 MCULE-8138625339 [2,0,0,0,0,0|2,0,0]=4 252 B13R2.435 O=C(O)C1=NC2=C(N1)N=CC=C2 MCULE-2144827109 [2,0,0,0,0,0|2,0,0]=4 253 B13R2.435 O=C(O)C1=NC2=CC=CC=C2N1 MCULE-7276869954 [2,0,0,0,0,0|1,0,0]=3 254 B13R2.435 O=C(O)C1=NC2=CC=CC=C2O1 MCULE-7872604073 [2,0,0,0,0,0|1,0,1]=4 255 B13R2.435 O=C(O)C1=NC2=CC=CC=C2S1 MCULE-7842106080 [2,0,0,0,0,0|1,0,1]=4 256 B13R2.435 O=C(O)C1=NC2=CC=CN=C2N1 MCULE-3446573084 [2,0,0,0,0,0|2,0,0]=4 257 B13R2.435 O=C(O)C1=NC2=CC=CNC2=C1 MCULE-2923766862 [2,0,0,0,0,0|1,0,1]=4 258 B13R2.435 O=C(O)C1=NC2=CNC=CC2=C1 MCULE-9140148377 [2,0,0,0,0,0|1,0,1]=4 259 B13R2.435 O=C(O)C1=NN2C=CC=CC2=C1 MCULE-7415388825 [2,0,0,0,0,0|1,0,1]=4 260 B13R2.435 O=C(O)C1CC2=C(N1)C=CC=C2 MCULE-2562454412 [2,0,0,0,0,0|0,0,2]=4 261 B13R2.435 O=C(O)C1CC2=C(N1)C=CC=C2 MCULE-7215841209 [2,0,0,0,0,0|0,0,2]=4 262 B13R2.435 O=C(O)[C@@H]1CC2=C(N1)C=CC=C2 MCULE-7672663112 [2,0,0,0,0,0|0,0,2]=4 263 B13R2.435 O=C(O)[C@@H]1CC2=CC=CC=C2N1 MCULE-8181141847 [2,0,0,0,0,0|0,0,2]=4 264 B13R2.435 O=C(O)[C@H]1CC2=C(N1)C=CC=C2 MCULE-1818842898 [2,0,0,0,0,0|0,0,2]=4 265 B13R2.435 O=C(O)[C@H]1CC2=C(N1)C=CC=C2 MCULE-5551098234 [2,0,0,0,0,0|0,0,2]=4 266 B13R2.435 O=N(=O)C1=CC2=C(N1)C=CC=C2 MCULE-6397737174 [2,0,0,0,0,0|1,0,1]=4 267 B13R2.435 OB(O)C1=CC2=C(N1)C=CC=C2 MCULE-1734263920 [2,0,0,0,0,0|1,0,1]=4 268 B13R2.135 CC1=C(C2=C(N1)C=CC=C2)C=O MCULE-4419027969 [2,0,0,0,0,0|0,0,1]=3 269 B13R2.135 CC1=C(C2=C(N1)C=CN=C2)C=O MCULE-9655867846 [2,0,0,0,0,0|1,0,1]=4 270 B13R2.135 CC1=C(C2=C(N1)N=CC=C2)C=O MCULE-9657229305 [2,0,0,0,0,0|1,0,1]=4 271 B13R2.135 CC1=C(C2=C(O1)C=CC=C2)C=O MCULE-4749374187 [2,0,0,0,0,0|1,0,1]=4 272 B13R2.135 CC1=C(C2=C(S1)C=CC=C2)C=O MCULE-8821454532 [2,0,0,0,0,0|1,0,1]=4 273 B13R2.135 N/N=C/1\C(=O)NC2=CC=CC=C12 MCULE-4198479503 [2,0,0,0,0,0|2,0,0]=4 274 B13R2.135 O=CC1=C(CC2=C1C=CC=C2)Cl MCULE-9586584676 [2,0,0,0,0,0|2,0,0]=4 275 B13R2.135 O=CC1=C(NC2=C1C=CC=C2)Br MCULE-2516501578 [2,0,0,0,0,0|1,0,0]=3 276 B13R2.135 O=CC1=C(NC2=C1C=CC=C2)Cl MCULE-9467946067 [2,0,0,0,0,0|1,0,0]=3 277 B13R2.135 O=CC1=C(NC2=C1C=CN=C2)Cl MCULE-1512078391 [2,0,0,0,0,0|2,0,0]=4 278 B13R2.135 O=CC1=C(NC2=CC=CC=C12)O MCULE-9538366956 [2,0,0,0,0,0|0,0,0]=2 279 B13R2.135 O=CC1=C(NC2=CC=CC=C12)S MCULE-6954901933 [2,0,0,0,0,0|0,1,0]=3 280 B13R2.135 O=CC1=C(OC2=C1C=CC=C2)Cl MCULE-3085903140 [2,0,0,0,0,0|2,0,0]=4 281 B13R2.135 O=CC1=C(SC2=CC=CC=C12)Br MCULE-9836875840 [2,0,0,0,0,0|2,0,0]=4 282 B13R2.135 O=CC1C(=O)NC2=CC=CC=C12 MCULE-7091802007 [2,0,0,0,0,0|0,0,1]=3 283 B13R2.135 O=C\1NC2=C(/C1=N/O)C=CC=C2 MCULE-5917110546 [2,0,0,0,0,0|1,0,1]=4 284 B13R2.135 O=C\1NC2=CC=CC=C2/C1=C\O MCULE-6948827944 [2,0,0,0,0,0|0,0,1]=3 285 B15R1.5914 CC(=O)NC1=CC=CC=C1C=CC(=O)O MCULE-2526891038 [0,1,1,0,0,0|2,0,0]=4 286 B15R1.5914 CC(=O)OC1=CC=CC=C1/C=C/C(=O)O MCULE-1796759102 [0,1,1,0,0,0|2,0,0]=4 287 B15R1.5914 CC(=O)OC1=CC=CC=C1C=CC(=O)O MCULE-2386313339 [0,1,1,0,0,0|2,0,0]=4 288 B15R1.3565 CC(=O)N/C(=C/C1=CC=CC=C1)/C(=O)O MCULE-6676210219 [0,1,1,0,0,0|2,0,0]=4 289 B15R1.3565 CC(=O)N/C(=C\C1=CC=CC=C1)/C(=O)O MCULE-8035335415 [0,1,1,0,0,0|2,0,0]=4 290 B15R1.3565 CC(=O)N=C(CC1=CC=CC=C1)C(=O)O MCULE-2563279561 [0,1,1,0,0,0|2,0,0]=4 291 B15R1.3565 CC(=O)NC(=CC1=CC=CC=C1)C(=O)O MCULE-9383114460 [0,1,1,0,0,0|2,0,0]=4 292 B15R1.3565 O=C(O)C/C(=C/C1=CC=CC=C1)/C(=O)O MCULE-3951357685 [0,1,1,0,0,0|1,0,1]=4 293 B15R1.3565 O=C(O)C/C(=C\C1=CC=CC=C1)/C(=O)O MCULE-2076092236 [0,1,1,0,0,0|1,0,1]=4 294 B15R1.3565 O=C(O)C=C(SC1=CC=CC=C1)C(=O)O MCULE-5848631276 [0,1,1,0,0,0|1,0,0]=3 295 B15R1.3565 O=C(O)CC(=CC1=CC=CC=C1)C(=O)O MCULE-9301971355 [0,1,1,0,0,0|1,0,1]=4 296 B15R1.31796 CC(=C(C(=O)O)C1=CC=CC=C1)C(=O)O MCULE-4449250455 [0,1,1,0,0,0|1,0,0]=3 297 B15R1.31796 NC(C(=O)O)C(C(=O)O)C1=CC=CC=C1 MCULE-8637556059 [0,1,1,0,0,0|0,0,2]=4 298 B15R2.1592 CC1=C(NC2=C1C=CC=C2)C(=O)CCl MCULE-8362419069 [1,1,0,0,0,0|1,0,1]=4 299 B15R2.1592 CNC(=O)C1=C(C2=CC=CC=C2N1)C MCULE-7095222331 [1,1,0,0,0,0|1,0,1]=4 300 B15R2.1592 COC(=O)C1=C(C2=C(N1)C=CC=C2)Br MCULE-7620383988 [1,1,0,0,0,0|1,0,0]=3 301 B15R2.1592 COC(=O)C1=C(C2=C(N1)C=CC=C2)C MCULE-5349082586 [1,1,0,0,0,0|0,0,1]=3 302 B15R2.1592 COC(=O)C1=C(C2=C(N1)C=CC=C2)Cl MCULE-6274244252 [1,1,0,0,0,0|1,0,0]=3 303 B15R2.1592 COC(=O)C1=C(C2=C(N1)C=CC=C2)I MCULE-2888474431 [1,1,0,0,0,0|1,0,0]=3 304 B15R2.1592 COC(=O)C1=C(C2=C(N1)C=CC=C2)N MCULE-5276851793 [1,1,0,0,0,0|1,0,0]=3 305 B15R2.1592 COC(=O)C1=C(C2=C(N1)C=CC=C2)O MCULE-3616224354 [1,1,0,0,0,0|0,0,1]=3 306 B15R2.1592 COC(=O)C1=C(C2=C(O1)C=CC=C2)N MCULE-9868949848 [1,1,0,0,0,0|2,0,0]=4 307 B15R2.1592 COC(=O)C1=C(C2=C(S1)C=CC=C2)C MCULE-5999494638 [1,1,0,0,0,0|1,0,1]=4 308 B15R2.1592 COC(=O)C1=C(C2=C(S1)C=CC=C2)O MCULE-3342036623 [1,1,0,0,0,0|1,0,1]=4 309 B15R2.1592 COC(=O)C1=C(C2=CC=CC=C2O1)C MCULE-3583310605 [1,1,0,0,0,0|1,0,1]=4 310 B15R2.1592 COC(=O)C1=C(C2=CC=CC=C2O1)O MCULE-3501689273 [1,1,0,0,0,0|1,0,1]=4 311 B15R2.1592 COC(=O)C1=C(C2=CC=CC=C2S1)Br MCULE-8887950735 [1,1,0,0,0,0|2,0,0]=4 312 B15R2.1592 COC(=O)C1=C(C2=CC=CC=C2S1)Cl MCULE-5208992501 [1,1,0,0,0,0|2,0,0]=4 313 B15R2.1592 COC(=O)C1=C(C2=CC=CC=C2S1)I MCULE-6812614752 [1,1,0,0,0,0|2,0,0]=4 314 B15R2.1592 COC(=O)C1=C(C2=CC=CC=C2S1)N MCULE-7495808490 [1,1,0,0,0,0|2,0,0]=4 315 B15R2.1592 COC(=O)C1=C(C2=NC=CC=C2N1)Br MCULE-3630342653 [1,1,0,0,0,0|2,0,0]=4 316 B15R2.1592 COC(=O)C1CC2=C(C1=O)C=CC=C2 MCULE-4864106764 [1,1,0,0,0,0|1,0,1]=4 317 B15R2.1592 NNC(=O)C1=C(C2=C(N1)C=CC=C2)Br MCULE-8078958402 [1,1,0,0,0,0|2,0,0]=4 318 B15R2.1592 NNC(=O)C1=C(C2=C(N1)C=CC=C2)Cl MCULE-3379250990 [1,1,0,0,0,0|2,0,0]=4 319 B15R2.1592 NNC(=O)C1=C(C2=C(N1)C=CC=C2)I MCULE-9376370067 [1,1,0,0,0,0|2,0,0]=4 320 B15R2.1592 NNC(=O)C1=C(C2=C(N1)C=CC=C2)N MCULE-5089227219 [1,1,0,0,0,0|2,0,0]=4 321 B15R2.1592 O=C(NO)C1=C(C2=C(S1)C=CC=C2)Cl MCULE-1205559153 [1,1,0,0,0,0|2,0,0]=4 322 B15R2.7203 CC1=C(NC2=C1C=C(C=C2)Br)C(=O)O MCULE-7147052097 [1,1,0,0,0,0|0,0,1]=3 323 B15R2.7203 CC1=C(NC2=C1C=C(C=C2)Cl)C(=O)O MCULE-1538568950 [1,1,0,0,0,0|0,0,1]=3 324 B15R2.7203 CC1=C(NC2=C1C=C(C=C2)F)C(=O)O MCULE-3908869681 [1,1,0,0,0,0|0,0,1]=3 325 B15R2.7203 CC1=C(OC2=C1C=C(C=C2)Br)C(=O)O MCULE-9975104092 [1,1,0,0,0,0|1,0,1]=4 326 B15R2.7203 CC1=C(OC2=C1C=C(C=C2)I)C(=O)O MCULE-7475818174 [1,1,0,0,0,0|1,0,1]=4 327 B15R2.7203 CC1=C(OC2=CC=C(C=C12)Cl)C(=O)O MCULE-5792048733 [1,1,0,0,0,0|1,0,1]=4 328 B15R2.7203 CC1=C(OC2=CC=C(C=C12)F)C(=O)O MCULE-8309573058 [1,1,0,0,0,0|1,0,1]=4 329 B15R2.7203 CC1=C(SC2=C1C=C(C=C2)Br)C(=O)O MCULE-5606706643 [1,1,0,0,0,0|1,0,1]=4 330 B15R2.7203 CC1=C(SC2=C1C=C(C=C2)Cl)C(=O)O MCULE-4232018875 [1,1,0,0,0,0|1,0,1]=4 331 B15R2.7203 CC1=C(SC2=C1C=C(C=C2)F)C(=O)O MCULE-4641764763 [1,1,0,0,0,0|1,0,1]=4 332 B15R2.7203 CC1=CC2=C(C=C1)NC(=C2Cl)C(=O)O MCULE-9778912951 [1,1,0,0,0,0|1,0,0]=3 333 B15R2.7203 CC1=CC2=C(C=C1)SC(=C2C)C(=O)O MCULE-7926967617 [1,1,0,0,0,0|1,0,1]=4 334 B15R2.7203 CC1=CC=C2NC(=C(C2=C1)C)C(=O)O MCULE-6658792134 [1,1,0,0,0,0|0,0,1]=3 335 B15R2.7203 CC1=CC=C2OC(=C(C2=C1)C)C(=O)O MCULE-3384122205 [1,1,0,0,0,0|1,0,1]=4 336 B15R2.7203 NC1=C(OC2=CC=C(C=C12)Cl)C(=O)O MCULE-3307931026 [1,1,0,0,0,0|2,0,0]=4 337 B15R2.7203 NC1=C(SC2=CC=C(C=C12)F)C(=O)O MCULE-8908395807 [1,1,0,0,0,0|2,0,0]=4 338 B15R2.7203 O=C(O)C1=C(C2=C(N1)C=CC(=C2)Br)Br MCULE-8731825759 [1,1,0,0,0,0|1,0,0]=3 339 B15R2.7203 O=C(O)C1=C(C2=C(N1)C=CC(=C2)Br)Cl MCULE-1581748571 [1,1,0,0,0,0|1,0,0]=3 340 B15R2.7203 O=C(O)C1=C(C2=C(N1)C=CC(=C2)F)Cl MCULE-5708372654 [1,1,0,0,0,0|1,0,0]=3 341 B15R2.7203 O=C(O)C1=C(C2=CC(=CC=C2N1)Cl)Br MCULE-5421337703 [1,1,0,0,0,0|1,0,0]=3 342 B15R2.7203 O=C(O)C1=C(C2=CC(=CC=C2N1)Cl)Cl MCULE-4204105572 [1,1,0,0,0,0|1,0,0]=3 343 B15R2.7203 O=C(O)C1=C(C2=CC(=CC=C2N1)F)Br MCULE-6884874433 [1,1,0,0,0,0|1,0,0]=3 344 B15R2.9921 CC(=O)C1=C(C2=C(N1C)C=CC=C2)C MCULE-9297944095 [1,1,0,0,0,0|1,0,1]=4 345 B15R2.9921 CC(=O)C1=C(C2=CC=CC=C2N1C)O MCULE-4132778774 [1,1,0,0,0,0|1,0,1]=4 346 B15R2.9921 CC1=C(N(C2=CC=CC=C12)C)C(=O)O MCULE-2182300474 [1,1,0,0,0,0|0,0,1]=3 347 B15R2.9921 CN1C2=C(C=CC=C2)C(=C1C(=O)O)Br MCULE-4345810002 [1,1,0,0,0,0|1,0,0]=3 348 B15R2.9921 CN1C2=C(C=CC=C2)C(=C1C(=O)O)Cl MCULE-8724890004 [1,1,0,0,0,0|1,0,0]=3 349 B15R2.9921 O=C(O)C1C(=O)C2=C(C1=O)C=CC=C2 MCULE-7311127082 [1,1,0,0,0,0|1,0,1]=4 350 B15R2.13463 CC1=C(NC2=C(C=CC=C12)F)C(=O)O MCULE-6797397470 [1,1,0,0,0,0|0,0,1]=3 351 B15R2.13463 CC1=C(NC2=C1C=CC=C2Cl)C(=O)O MCULE-1054054906 [1,1,0,0,0,0|0,0,1]=3 352 B15R2.13463 CC1=C(OC2=C1C=CC=C2Br)C(=O)O MCULE-8622660280 [1,1,0,0,0,0|1,0,1]=4 353 B15R2.13463 CC1=C(OC2=C1C=CC=C2Cl)C(=O)O MCULE-2907904660 [1,1,0,0,0,0|1,0,1]=4 354 B15R2.13463 CC1=C(OC2=C1C=CC=C2F)C(=O)O MCULE-7318485704 [1,1,0,0,0,0|1,0,1]=4 355 B15R2.13463 CC1=C(SC2=C(C=CC=C12)Cl)C(=O)O MCULE-8019661927 [1,1,0,0,0,0|1,0,1]=4 356 B15R2.13463 CC1=C2NC(=C(C2=CC=C1)C)C(=O)N MCULE-5629336733 [1,1,0,0,0,0|1,0,1]=4 357 B15R2.13463 CC1=C2NC(=C(C2=CC=C1)C)C(=O)O MCULE-8619315816 [1,1,0,0,0,0|0,0,1]=3 358 B15R2.13463 CC1=C2OC(=C(C2=CC=C1)C)C(=O)O MCULE-7987044630 [1,1,0,0,0,0|1,0,1]=4 359 B15R2.13463 NC1=C(SC2=C(C=CC=C12)F)C(=O)O MCULE-1352160353 [1,1,0,0,0,0|2,0,0]=4 360 B15R2.13463 NC1=C(SC2=C1C=CC=C2Br)C(=O)O MCULE-5260907751 [1,1,0,0,0,0|2,0,0]=4 361 B15R2.13463 O=C(O)C1=C(C2=CC=CC(=C2S1)Cl)O MCULE-4953948758 [1,1,0,0,0,0|1,0,1]=4 362 B15R2.13629 CC1=C(NC2=CC=CC(=C12)F)C(=O)O MCULE-1665741001 [1,1,0,0,0,0|0,0,1]=3 363 B15R2.13629 CC1=C(OC2=CC=CC(=C12)O)C(=O)O MCULE-8052907706 [1,1,0,0,0,0|1,0,1]=4 364 B15R2.13629 CC1=C(SC2=C1C(=CC=C2)F)C(=O)O MCULE-9658463577 [1,1,0,0,0,0|1,0,1]=4 365 B15R2.13629 CC1=C(SC2=CC=CC(=C12)Cl)C(=O)O MCULE-3021085317 [1,1,0,0,0,0|1,0,1]=4 366 B15R2.13629 CC1=C2C(=CC=C1)SC(=C2Cl)C(=O)O MCULE-5309652919 [1,1,0,0,0,0|2,0,0]=4 367 B15R2.13629 NC1=C(SC2=C1C(=CC=C2)F)C(=O)O MCULE-9083312908 [1,1,0,0,0,0|2,0,0]=4 368 B15R2.13629 O=C(O)C1=C(C2=C(C=CC=C2N1)F)I MCULE-6077690564 [1,1,0,0,0,0|1,0,0]=3 369 B15R2.13629 O=C(O)C1=C(C2=C(C=CC=C2S1)F)Cl MCULE-5778238073 [1,1,0,0,0,0|2,0,0]=4 370 B15R2.13629 O=C(O)C1=C(C2=C(S1)C=CC=C2Br)Cl MCULE-3814207050 [1,1,0,0,0,0|2,0,0]=4 371 B15R2.13629 O=C(O)C1=C(C2=C(S1)C=CC=C2Cl)Cl MCULE-9931805377 [1,1,0,0,0,0|2,0,0]=4 372 B15R2.14758 CC1=C(NC2=C1C=CC(=C2)Cl)C(=O)O MCULE-4495099796 [1,1,0,0,0,0|0,0,1]=3 373 B15R2.14758 CC1=C(NC2=C1C=CC(=C2)F)C(=O)O MCULE-4810019186 [1,1,0,0,0,0|0,0,1]=3 374 B15R2.14758 CC1=C(OC2=CC(=CC=C12)Br)C(=O)O MCULE-4058291043 [1,1,0,0,0,0|1,0,1]=4 375 B15R2.14758 CC1=C(SC2=C1C=CC(=C2)F)C(=O)O MCULE-6384538597 [1,1,0,0,0,0|1,0,1]=4 376 B15R2.14758 CC1=C(SC2=CC(=CC=C12)Cl)C(=O)O MCULE-6352007775 [1,1,0,0,0,0|1,0,1]=4 377 B15R2.14758 CC1=CC2=C(C=C1)C(=C(N2)C(=O)O)C MCULE-8070695316 [1,1,0,0,0,0|0,0,1]=3 378 B15R2.14758 CC1=CC2=C(C=C1)C(=C(S2)C(=O)O)Cl MCULE-3549045158 [1,1,0,0,0,0|2,0,0]=4 379 B15R2.14758 CC1=CC=C2C(=C1)OC(=C2C)C(=O)O MCULE-8525435783 [1,1,0,0,0,0|1,0,1]=4 380 B15R2.14758 NC1=C(SC2=C1C=CC(=C2)Br)C(=O)O MCULE-9805993085 [1,1,0,0,0,0|2,0,0]=4 381 B15R2.14758 NC1=C(SC2=CC(=CC=C12)F)C(=O)O MCULE-5999296930 [1,1,0,0,0,0|2,0,0]=4 382 B15R2.14758 O=C(O)C1=C(C2=C(N1)C=C(C=C2)Br)F MCULE-8082022479 [1,1,0,0,0,0|1,0,0]=3 383 B15R2.14758 O=C(O)C1=C(C2=C(N1)C=C(C=C2)Br)O MCULE-5973449577 [1,1,0,0,0,0|0,0,1]=3 384 B15R2.14758 O=C(O)C1=C(C2=C(S1)C=C(C=C2)Br)Cl MCULE-9012375745 [1,1,0,0,0,0|2,0,0]=4 385 B15R2.14758 O=C(O)C1=C(C2=C(S1)C=C(C=C2)Br)O MCULE-2279043463 [1,1,0,0,0,0|1,0,1]=4 386 B15R2.14758 O=C(O)C1=C(C2=C(S1)C=C(C=C2)Cl)Cl MCULE-9040814889 [1,1,0,0,0,0|2,0,0]=4 387 B15R2.14758 O=C(O)C1=C(C2=C(S1)C=C(C=C2)F)Cl MCULE-5864466781 [1,1,0,0,0,0|2,0,0]=4 388 B15R2.14758 O=C(O)C1=C(C2=CC=C(C=C2S1)Cl)O MCULE-6363653726 [1,1,0,0,0,0|1,0,1]=4 389 B15R2.201 CCC1=C(C2=CC=CC=C2N1C)C=O MCULE-8636174384 [1,1,0,0,0,0|1,0,1]=4 390 B15R2.201 COC1=C(C2=CC=CC=C2N1C)C=O MCULE-2104383928 [1,1,0,0,0,0|2,0,0]=4 391 B15R2.1759 CCC1=C(NC2=CC=C(C=C12)C)C=O MCULE-5729777310 [1,1,0,0,0,0|1,0,1]=4 392 B15R2.1853 CC(=O)C1=C(NC2=CN=CC=C12)C=O MCULE-1764318804 [1,1,0,0,0,0|1,0,0]=3 393 B15R2.1853 O=CC1=C(C2=CN=CC=C2N1)N(=O)=O MCULE-1258763186 [1,1,0,0,0,0|2,0,0]=4 394 B15R2.6767 CC1=CC2=C(S1)C(=C(N2)C(=O)O)C=O MCULE-7602694228 [0,1,0,0,1,0|1,0,0]=3 395 B17R2.45126 NC(=O)C1=C(N=C2C=CC=CC2=C1)C(=O)N MCULE-8000743287 [0,1,0,0,0,1|1,0,1]=4 396 B17R2.45126 O=C(Cl)C1=CC2=C(C=CC=C2)C=C1C(=O)Cl MCULE-2701753941 [0,1,0,0,0,1|2,0,0]=4 397 B17R2.45126 O=C(O)C1=C(N=C2C=CC=CC2=C1)C(=O)O MCULE-4568088660 [0,1,0,0,0,1|0,0,1]=3 398 B17R2.45126 O=C(O)C1=CC2=CC=CC=C2C=C1C(=O)O MCULE-5467497817 [0,1,0,0,0,1|1,0,0]=3 399 B17R2.45126 O=C(O)C1=NC2=C(C=CC=C2)N=C1C(=O)O MCULE-9071874502 [0,1,0,0,0,1|0,0,1]=3 400 B17R2.45199 CC(=O)C1=C(C2=C(C=CC=C2)N=C1)C(=O)O MCULE-6490517636 [0,1,0,0,0,1|1,0,1]=4 401 B17R2.45199 O=C(O)C1=C(C2=C(C=CC=C2)C=C1)C(=O)O MCULE-8769074704 [0,1,0,0,0,1|1,0,0]=3 402 B17R2.45199 O=C(O)C1=CC=C2C=CC=CC2=C1N(=O)=O MCULE-8031462513 [0,1,0,0,0,1|2,0,0]=4 403 B17R2.44663 O=C(O)CC1=NN2C=CC=CC2=C1C(=O)O MCULE-9507023068 [0,1,0,0,0,1|1,0,1]=4 404 B17R2.140067 CSC1=C(N(C2=C1C=CC=C2)C)CC(=O)O MCULE-9850460353 [0,1,0,0,0,1|2,0,0]=4 405 B17R2.16326 O=CC1=C(C(=CC2=C1C=CC=C2)C(=O)O)O MCULE-6273599367 [0,1,0,0,0,1|1,0,0]=3 406 B17R2.45129 O=C(O)C1=CC(=C2C=CC=CC2=N1)C(=O)O MCULE-6477755705 [0,1,0,0,0,1|0,0,1]=3 407 B17R2.45129 O=C(O)C1=CC2=C(C=CC=C2)C(=C1)N(=O)=O MCULE-3161741772 [0,1,0,0,0,1|2,0,0]=4 408 B17R2.45129 O=C(O)C1=NC(=C2C=CC=CC2=C1)C(=O)O MCULE-3504292814 [0,1,0,0,0,1|1,0,0]=3 409 B17R2.4252 CC1=CC=C2NC(=C(C2=C1)CCN)C(=O)O MCULE-2327818077 [0,2,0,0,0,0|1,0,1]=4 410 B17R2.4252 NCCC1=C(NC2=CC=C(C=C12)Br)C(=O)O MCULE-8754573793 [0,2,0,0,0,0|1,0,1]=4 411 B17R2.4252 NCCC1=C(NC2=CC=C(C=C12)Cl)C(=O)O MCULE-7123308083 [0,2,0,0,0,0|1,0,1]=4 412 B17R2.4252 O=C(O)C1=C(C2=C(N1)C=CC(=C2)Br)CCO MCULE-1609804938 [0,2,0,0,0,0|0,0,2]=4 413 B17R2.4295 COC(=O)C1=C(C2=C(N1)C=CC=C2)/C=N/O MCULE-1230582484 [0,2,0,0,0,0|0,0,1]=3 414 B17R2.4295 COC(=O)C1=C(C2=CC=CC=C2N1)C=NO MCULE-5637493609 [0,2,0,0,0,0|0,0,1]=3 415 B17R2.45503 CC(=O)NC1=C(NC2=C1C=CC=C2)C(=O)O MCULE-3334653699 [0,2,0,0,0,0|0,0,0]=2 416 B17R2.45503 CC(=O)NC1=C(OC2=C1C=CC=C2)C(=O)C MCULE-8394238348 [0,2,0,0,0,0|2,0,0]=4 417 B17R2.45503 CC(=O)NC1=C(OC2=C1C=CC=C2)C(=O)N MCULE-4076365381 [0,2,0,0,0,0|2,0,0]=4 418 B17R2.45503 CC(=O)NC1=C(OC2=CC=CC=C12)C(=O)O MCULE-2127194051 [0,2,0,0,0,0|1,0,0]=3 419 B17R2.45503 CC(=O)NC1=C(SC2=C1C=CC=C2)C(=O)C MCULE-8336261920 [0,2,0,0,0,0|2,0,0]=4 420 B17R2.45503 CC(=O)NC1=C(SC2=NC=CC=C12)C(=O)O MCULE-1453243572 [0,2,0,0,0,0|2,0,0]=4 421 B17R2.45503 CS(=O)CC1=C(OC2=C1C=CC=C2)C(=O)O MCULE-3174307532 [0,2,0,0,0,0|1,0,1]=4 422 B17R2.45503 CS(=O)CC1=C(SC2=C1C=CC=C2)C(=O)O MCULE-1557917339 [0,2,0,0,0,0|1,0,1]=4 423 B17R2.45503 NC(=O)CC1=C(NC2=C1C=CC=C2)C(=O)O MCULE-9645227207 [0,2,0,0,0,0|0,0,0]=2 424 B17R2.45503 O=C(O)CC1=C(NC2=C1C=CC=C2)C(=O)O MCULE-7221538157 [0,2,0,0,0,0|0,0,0]=2 425 B17R2.45503 O=C(O)CN1C(=CC2=CC=CC=C12)C(=O)O MCULE-9536039588 [0,2,0,0,0,0|2,0,0]=4 426 B17R2.57403 COC(=O)C1=C(SC2=C1C=CC=C2)C(=O)O MCULE-6839802194 [0,2,0,0,0,0|1,0,0]=3 427 B17R2.57403 COC(=O)C1=C2C=CC=CN2N=C1C(=O)O MCULE-2840648819 [0,2,0,0,0,0|1,0,1]=4 428 B17R2.50009 CCOC(=O)C1=C(C2=C(N1)C=CC=C2)C=O MCULE-5194191930 [0,2,0,0,0,0|0,0,0]=2 429 B17R2.50009 CCOC(=O)C1=C(C2=C(N1)C=CC=C2)CC MCULE-7467523589 [0,2,0,0,0,0|1,0,1]=4 430 B17R2.50009 CCOC(=O)C1=C(C2=C(N1)C=CC=C2)CN MCULE-9790031612 [0,2,0,0,0,0|1,0,1]=4 431 B17R2.50009 CCOC(=O)C1=C(C2=CC=CC=C2N1)CO MCULE-1187761725 [0,2,0,0,0,0|0,0,2]=4 432 B17R2.50009 CCOC(=O)C1=C(N2C=CC=CC2=N1)C=O MCULE-4002624918 [0,2,0,0,0,0|1,0,1]=4 433 B17R2.58278 COC(=O)C1=C(C2=C(N1)C=CC=C2)C(=O)O MCULE-1584949046 [0,2,0,0,0,0|0,0,0]=2 434 B17R2.58278 COC(=O)C1=C(C2=C(S1)C=CC=C2)N(=O)=O MCULE-4934322530 [0,2,0,0,0,0|2,0,0]=4 435 B17R2.58278 COC(=O)C1=C(C2=C(S1)C=CC=C2)N(=O)=O MCULE-8755187486 [0,2,0,0,0,0|2,0,0]=4 436 B17R2.58278 COC(=O)C1=C(C2=CC=CC=C2N1)N(=O)=O MCULE-6991371609 [0,2,0,0,0,0|1,0,0]=3 437 B17R2.83594 COC(=O)C1=C(C2=CC=CC=C2N1C)C=O MCULE-1039530572 [0,2,0,0,0,0|0,0,0]=2 438 B17R2.135847 COC(=O)C1=C(C2=C(N1)C=CC=C2Br)C=O MCULE-2710214621 [0,2,0,0,0,0|0,0,0]=2 439 B17R2.139008 COC(=O)C1=C(C2=CC=C(C=C2N1)Cl)C=O MCULE-4636432338 [0,2,0,0,0,0|0,0,0]=2 440 B17R2.139295 COC(=O)C1=C(C2=C(N1)C=CC(=C2)Br)C=O MCULE-9056801753 [0,2,0,0,0,0|0,0,0]=2 441 B17R2.139295 COC(=O)C1=C(C2=C(N1)C=CC(=C2)Cl)C=O MCULE-1385849160 [0,2,0,0,0,0|0,0,0]=2 442 B17R2.139295 COC(=O)C1=C(C2=CC(=CC=C2N1)F)C=O MCULE-2514742407 [0,2,0,0,0,0|0,0,0]=2 443 B17R2.2779 COC1=CC2=C(C=C1)C(=C(N2)C(=O)O)C=O MCULE-7291589760 [0,2,0,0,0,0|0,0,0]=2 444 B17R2.11800 COC1=CC2=C(C=C1)NC(=C2C=O)C(=O)O MCULE-6401273345 [0,2,0,0,0,0|0,0,0]=2 445 B17R2.139318 CC1=CC2=C(C=C1)N(C(=C2C=O)C(=O)O)C MCULE-8293098951 [0,2,0,0,0,0|0,0,0]=2 446 B17R2.139318 CN1C2=C(C=C(C=C2)Br)C(=C1C(=O)O)C=O MCULE-5231624567 [0,2,0,0,0,0|0,0,0]=2 447 B17R2.139318 CN1C2=C(C=C(C=C2)F)C(=C1C(=O)O)C=O MCULE-3233943853 [0,2,0,0,0,0|0,0,0]=2 448 B17R2.37151 CC1=C2OC(=C(C2=CC=C1)C(=O)O)C(=O)O MCULE-7506153368 [0,2,0,0,0,0|1,0,0]=3 449 B17R2.37561 O=C(O)C1=C(C2=C(N1)C=CC=C2Br)N(=O)=O MCULE-8853393709 [0,2,0,0,0,0|1,0,0]=3 450 B17R2.83593 CCN1C2=CC=CC=C2C(=C1C(=O)O)C=O MCULE-6073214398 [0,2,0,0,0,0|0,0,0]=2 451 B15R2.984 CC1=C(C=C2C=CC=CC2=C1)C(=O)O MCULE-2215135642 [0,0,1,1,0,0|2,0,0]=4 452 B15R2.984 CC1=CC2=CC=CC=C2N=C1C(=O)O MCULE-5338659432 [0,0,1,1,0,0|1,0,1]=4 453 B15R2.984 CC1=CC2=CC=CC=C2N=C1C(=O)O MCULE-8973769401 [0,0,1,1,0,0|1,0,1]=4 454 B15R2.984 NC1=CC2=C(C=CC=C2)C=C1C(=O)O MCULE-5085207444 [0,0,1,1,0,0|2,0,0]=4 455 B15R2.984 NC1=CC2=CC=CC=C2N=C1C(=O)O MCULE-3935507060 [0,0,1,1,0,0|1,0,1]=4 456 B15R2.984 O=C(O)C1=C(C=C2C=CC=CC2=C1)Br MCULE-2086429197 [0,0,1,1,0,0|2,0,0]=4 457 B15R2.984 O=C(O)C1=C(C=C2C=CC=CC2=C1)F MCULE-1948412148 [0,0,1,1,0,0|2,0,0]=4 458 B15R2.984 O=C(O)C1=C(C=C2C=CC=CC2=C1)I MCULE-4082159602 [0,0,1,1,0,0|2,0,0]=4 459 B15R2.984 O=C(O)C1=C(C=C2C=CC=CC2=C1)O MCULE-3211614773 [0,0,1,1,0,0|1,0,1]=4 460 B15R2.984 O=C(O)C1=C(C=C2C=CC=CC2=N1)Br MCULE-3993095361 [0,0,1,1,0,0|1,0,1]=4 461 B15R2.984 O=C(O)C1=C(C=C2C=CC=CC2=N1)Cl MCULE-4549444986 [0,0,1,1,0,0|1,0,1]=4 462 B15R2.984 O=C(O)C1=CC2=C(C=CC=C2)NC1=O MCULE-6896806628 [0,0,1,1,0,0|2,0,0]=4 463 B15R2.984 O=C(O)C1=CC2=C(C=CC=C2)OC1=O MCULE-6770545200 [0,0,1,1,0,0|2,0,0]=4 464 B15R2.984 O=C(O)C1=CC2=CC=CC=C2C=C1Cl MCULE-9610961868 [0,0,1,1,0,0|2,0,0]=4 465 B15R2.984 O=C(O)C1=NC2=CC=CC=C2C=C1F MCULE-4320233227 [0,0,1,1,0,0|1,0,1]=4 466 B15R2.984 O=C(O)C1=NC2=CC=CC=C2C=C1O MCULE-3664570706 [0,0,1,1,0,0|0,0,2]=4 467 B15R2.993 CC1=CC2=CC=CC=C2N1CC(=O)O MCULE-2919500641 [0,0,1,1,0,0|1,0,1]=4 468 B15R2.993 O=C(O)C=C1C(=O)NC2=CC=CC=C12 MCULE-2066261067 [0,0,1,1,0,0|2,0,0]=4 469 B15R2.993 O=C(O)CN1C(=CC2=C1C=CC=C2)I MCULE-8095832208 [0,0,1,1,0,0|1,0,1]=4 470 B15R2.993 O=C(O)CN1C(=O)CC2=C1C=CC=C2 MCULE-5577141396 [0,0,1,1,0,0|0,0,2]=4 471 B15R2.993 O=C(O)CN1C(=O)NC2=C1C=CC=C2 MCULE-1046043674 [0,0,1,1,0,0|1,0,1]=4 472 B15R2.993 O=C(O)CN1C(=O)OC2=C1C=CC=C2 MCULE-4408323669 [0,0,1,1,0,0|1,0,1]=4 473 B15R2.993 O=C(O)CN1C(=O)SC2=C1C=CC=C2 MCULE-7125482113 [0,0,1,1,0,0|1,0,1]=4 474 B15R2.38 OC1=CC=CC=C1NC2=CC=CC=C2 MCULE-1435492822 [0,0,1,1,0,0|2,0,0]=4 475 B15R2.63 CC(=O)C1=CC=NN1C2=CC=CC=C2 MCULE-8814231493 [0,0,1,1,0,0|2,0,0]=4 476 B15R2.63 O=C(O)C1=C(NC=C1)C2=CC=CC=C2 MCULE-3356488353 [0,0,1,1,0,0|2,0,0]=4 477 B15R2.63 O=C(O)C1=CC=CN1C2=CC=CC=C2 MCULE-1964375825 [0,0,1,1,0,0|1,0,0]=3 478 B15R2.63 O=C(O)C1=CC=NN1C2=CC=CC=C2 MCULE-8268373440 [0,0,1,1,0,0|1,0,0]=3 479 B15R2.63 O=C(O)C1=CN=CN1C2=CC=CC=C2 MCULE-5558459036 [0,0,1,1,0,0|2,0,0]=4 480 B15R2.63 O=C(O)C1=CN=NN1C2=CC=CC=C2 MCULE-6798942541 [0,0,1,1,0,0|2,0,0]=4 481 B15R2.63 O=C(O)C1=NC=CN1C2=CC=CC=C2 MCULE-7044841599 [0,0,1,1,0,0|2,0,0]=4 482 B15R2.14951 CC1=C2C=CC=CC2=NC(=C1)C(=O)O MCULE-6651932224 [0,0,1,1,0,0|1,0,1]=4 483 B15R2.14951 NC(=O)C1=CC(=O)C2=C(N1)C=CC=C2 MCULE-2037103719 [0,0,1,1,0,0|1,0,0]=3 484 B15R2.14951 NC(=O)C1=CC(=O)C2=CC=CC=C2O1 MCULE-1529659371 [0,0,1,1,0,0|2,0,0]=4 485 B15R2.14951 NC1=C2C=CC=CC2=CC(=C1)C(=O)O MCULE-5081256323 [0,0,1,1,0,0|2,0,0]=4 486 B15R2.14951 NC1=C2C=CC=CC2=NC(=C1)C(=O)O MCULE-4018761199 [0,0,1,1,0,0|1,0,1]=4 487 B15R2.14951 O=C(O)C1=CC(=C2C=CC=CC2=C1)Br MCULE-5271775618 [0,0,1,1,0,0|2,0,0]=4 488 B15R2.14951 O=C(O)C1=CC(=O)C2=C(N1)C=CC=C2 MCULE-4310803796 [0,0,1,1,0,0|0,0,0]=2 489 B15R2.14951 O=C(O)C1=CC(=O)C2=CC=CC=C2O1 MCULE-9387531298 [0,0,1,1,0,0|1,0,0]=3 490 B15R2.14951 O=C(O)C1=CC(=O)N2C=CC=CC2=N1 MCULE-5321968317 [0,0,1,1,0,0|1,0,1]=4 491 B15R2.14951 O=C(O)C1=CC(=O)N2C=CC=CC2=N1 MCULE-9781115287 [0,0,1,1,0,0|1,0,1]=4 492 B15R2.14951 O=C(O)C1=CC2=C(C=CC=C2)C(=C1)O MCULE-8176501140 [0,0,1,1,0,0|1,0,1]=4 493 B15R2.14951 O=C(O)C1=CC2=C(C=CC=C2)C(=O)N1 MCULE-8575275090 [0,0,1,1,0,0|2,0,0]=4 494 B15R2.14951 O=C(O)C1=CC2=C(C=CC=C2)C(=O)O1 MCULE-2825805140 [0,0,1,1,0,0|2,0,0]=4 495 B15R2.14951 O=C(O)C1=CC2=CC=CC=C2C(=C1)F MCULE-9676581372 [0,0,1,1,0,0|2,0,0]=4 496 B15R2.14951 O=C(O)C1=CC2=CC=CC=C2C(=O)S1 MCULE-4240347478 [0,0,1,1,0,0|2,0,0]=4 497 B15R2.14951 O=C(O)C1=NC2=C(C=CC=C2)C(=C1)Cl MCULE-5668876183 [0,0,1,1,0,0|1,0,1]=4 498 B15R2.14951 O=C(O)C1=NC2=C(C=CC=C2)C(=O)N1 MCULE-7255562861 [0,0,1,1,0,0|1,0,1]=4 499 B15R2.14951 O=C(O)C1=NC2=CC=CC=C2C(=C1)Br MCULE-1195817711 [0,0,1,1,0,0|1,0,1]=4 500 B15R2.14951 O=C(O)C1=NC2=CC=CC=C2C(=C1)F MCULE-3262139429 [0,0,1,1,0,0|1,0,1]=4 501 B15R2.14951 O=C1CC(NC2=C1C=CC=C2)C(=O)O MCULE-4668772511 [0,0,1,1,0,0|0,0,2]=4 502 B15R2.323 CC1=C(C(=O)OC1=O)C2=CC=CC=C2 MCULE-7885401840 [0,0,1,1,0,0|1,0,0]=3 503 B15R2.323 NC1=C(C(=O)NC1=O)C2=CC=CC=C2 MCULE-4988844811 [0,0,1,1,0,0|1,0,0]=3 504 B15R2.323 O=C1CC(=O)C(=C1O)C2=CC=CC=C2 MCULE-3379844061 [0,0,1,1,0,0|2,0,0]=4 505 B15R2.1255 NC(C(=O)O)C1=CNC2=C1C=CC=C2 MCULE-3418323043 [0,0,1,1,0,0|1,0,1]=4 506 B15R2.1255 N[C@H](C(=O)O)C1=CNC2=C1C=CC=C2 MCULE-2652998695 [0,0,1,1,0,0|1,0,1]=4 507 B15R2.1255 N[C@H](C(=O)O)C1=CNC2=CC=CC=C12 MCULE-9368537487 [0,0,1,1,0,0|1,0,1]=4 508 B15R2.1255 O=C(O)C(=O)C1=CNC2=C1C=CC=C2 MCULE-3151156759 [0,0,1,1,0,0|2,0,0]=4 509 B15R2.6237 CNC1=C(C(=O)OC2=C1C=CC=C2)N MCULE-1164036953 [0,0,1,1,0,0|2,0,0]=4 510 B15R2.332 NC1=C(C=CC=C1)C2=CC=CC(=C2)O MCULE-7628279429 [0,0,1,1,0,0|2,0,0]=4 511 B15R2.557 O=C1C=C(C(=O)O1)C2=CC=CC=C2F MCULE-9656889117 [0,0,1,1,0,0|1,0,0]=3 512 B15R3.2249 O=C1CCC2=C1NC3=C2C=CC=C3 MCULE-4237567663 [1,0,0,1,0,0|1,0,1]=4 513 B15R3.3 C1=CC2=C(C=C1)C3=C(N2)C=CC=C3 MCULE-7610805198 [1,0,0,1,0,0|2,0,0]=4 514 B15R3.3 C1=CC2=C(C=C1)C3=C(N2)C=NC=C3 MCULE-5748858495 [1,0,0,1,0,0|2,0,0]=4 515 B15R3.3 C1=CC2=C(C=C1)C3=CC=NC=C3N2 MCULE-7379210172 [1,0,0,1,0,0|2,0,0]=4 516 B15R3.3 C1=CC=C2C(=C1)NC3=C2C=NC=C3 MCULE-8436257661 [1,0,0,1,0,0|2,0,0]=4 517 B15R3.10083 O=C1CCC2=C1C3=C(N2)C=CC=C3 MCULE-3321867220 [1,0,0,1,0,0|1,0,1]=4 518 B15R3.10083 O=C1NCC2=C1C3=C(N2)C=CC=C3 MCULE-9780017048 [1,0,0,1,0,0|1,0,1]=4 519 B17R3.3374 O=C1NC(=O)C2=C1C=C3C=CC=CC3=C2 MCULE-3068947939 [0,0,0,1,0,1|2,0,0]=4 520 B17R3.3374 O=C1OC(=O)C2=CC3=C(C=CC=C3)C=C12 MCULE-1393108324 [0,0,0,1,0,1|1,0,0]=3 521 B17R3.34304 O=C1OC(=O)C2=C1C=CC3=C2C=CC=C3 MCULE-4855296835 [0,0,0,1,0,1|1,0,0]=3 522 B17R3.34304 O=C1OC(=O)C2=C1CCC3=C2C=CC=C3 MCULE-9408039724 [0,0,0,1,0,1|1,0,0]=3 523 B17R3.34323 CC1=CC(=O)OC2=C1C3=C(N2)C=CC=C3 MCULE-5895392849 [0,0,0,1,0,1|2,0,0]=4 524 B17R3.34323 CC1=CC(=O)SC2=C1C3=C(N2)C=CC=C3 MCULE-5135917469 [0,0,0,1,0,1|2,0,0]=4 525 B17R3.34323 NC1=NC2=C(C(=O)N1)C3=C(N2)C=CC=C3 MCULE-9651086291 [0,0,0,1,0,1|2,0,0]=4 526 B17R3.34323 O=C1NC(=O)C2=C(N1)NC3=CC=CC=C23 MCULE-6537567234 [0,0,0,1,0,1|1,0,0]=3 527 B17R3.66024 O=C(O)C1=C2NC3=CC=CC=C3C2=CN1 MCULE-7872695752 [0,0,0,1,0,1|1,0,0]=3 528 B17R3.34483 CC1=C2NC3=C(C2=CC(=O)O1)C=CC=C3 MCULE-3449642814 [0,1,0,1,0,0|1,0,0]=3 529 B17R3.34483 CC1=NC2=C(OC3=C2C=CC=C3)C(=O)O1 MCULE-3472146247 [0,1,0,1,0,0|2,0,0]=4 530 B17R3.34483 O=C1CC2=C(NC3=CC=CC=C23)C(=O)O1 MCULE-5510062434 [0,1,0,1,0,0|0,0,0]=2 531 B17R3.34483 O=C1NC(=O)C2=C(N1)C3=CC=CC=C3O2 MCULE-3587345721 [0,1,0,1,0,0|2,0,0]=4 532 B17R3.312758 CC1(OC(=O)C2=C1NC3=C2C=CC=C3)C MCULE-1031503385 [0,1,0,1,0,0|1,0,1]=4 533 B17R3.633 O=CC1=NC=CC2=C1NC3=C2C=CC=C3 MCULE-4537422152 [0,1,0,1,0,0|2,0,0]=4 534 B17R3.633 OCC1=NC=CC2=C1NC3=CC=CC=C23 MCULE-5002670980 [0,1,0,1,0,0|2,0,0]=4 535 B17R3.284867 CC1=CC2=C(C=C1)NC3=C2C=NNC3=O MCULE-9324431687 [0,1,0,1,0,0|2,0,0]=4 536 B17R3.284867 O=C1NN=CC2=C1NC3=CC=C(C=C23)F MCULE-7591768397 [0,1,0,1,0,0|2,0,0]=4 537 B17R3.284867 O=C1OCCC2=C1NC3=C2C=C(C=C3)Br MCULE-4341190044 [0,1,0,1,0,0|1,0,1]=4 538 B17R3.51174 CN1C2=CC=CC=C2C3=C1C(=O)NN=C3 MCULE-6614980466 [0,1,0,1,0,0|2,0,0]=4 539 B13R1.405 O=CN[C@@H](C(=O)O)C1=CC=CC=C1 MCULE-4354784784 [0,0,1,0,1,0|1,0,1]=4 540 B13R1.405 O=CN[C@@H](C(=O)O)C1=CC=CC=C1 MCULE-7287925237 [0,0,1,0,1,0|1,0,1]=4 541 B13R1.720 NN=C(C(=O)O)C1=C(C=CC=C1)N MCULE-9957750258 [0,0,1,0,1,0|2,0,0]=4 542 B13R2.2334 CC1=C(NC2=C1OC=C2)C(=O)O MCULE-8407091180 [1,0,0,0,1,0|1,0,1]=4 543 B13R2.2334 CC1=C(NC2=C1SC=C2)C(=O)O MCULE-4914182786 [1,0,0,0,1,0|1,0,1]=4 544 B13R2.2334 O=C(O)C1=C(C2=C(N1)C=CO2)Br MCULE-8989766222 [1,0,0,0,1,0|2,0,0]=4 545 B13R2.2334 O=C(O)C1=C(C2=C(N1)C=CO2)F MCULE-1753385546 [1,0,0,0,1,0|2,0,0]=4 546 B13R2.2334 O=C(O)C1=C(C2=C(N1)SC=C2)F MCULE-6503071023 [1,0,0,0,1,0|2,0,0]=4 547 B13R2.2334 O=C(O)C1=CC2=CC=CN2C1=O MCULE-6899271673 [1,0,0,0,1,0|2,0,0]=4 548 B15R2.627 CC(=O)C1=CNC2=CC=CC=C2C1=O MCULE-1123175934 [1,0,0,0,0,1|1,0,0]=3 549 B15R2.627 CC(=O)C1=COC2=CC=CC=C2C1=O MCULE-2514541444 [1,0,0,0,0,1|2,0,0]=4 550 B15R2.627 CC1=C(C=CC2=CC=CC=C12)C(=O)O MCULE-3651636508 [1,0,0,0,0,1|1,0,1]=4 551 B15R2.627 CC1=C(CCC2=C1C=CC=C2)C(=O)O MCULE-5065538785 [1,0,0,0,0,1|1,0,1]=4 552 B15R2.627 CC1=C2C=CC=CC2=NC=C1C(=O)O MCULE-5675976940 [1,0,0,0,0,1|0,0,2]=4 553 B15R2.627 NC1=C(C=NC2=CC=CC=C12)C(=O)O MCULE-8408161492 [1,0,0,0,0,1|1,0,1]=4 554 B15R2.627 NC1=C(N=NC2=CC=CC=C12)C(=O)O MCULE-6010810016 [1,0,0,0,0,1|1,0,1]=4 555 B15R2.627 NC1=C2C=CC=CC2=CC=C1C(=O)O MCULE-9722354003 [1,0,0,0,0,1|2,0,0]=4 556 B15R2.627 NC1=C2C=CC=CC2=CN=C1C(=O)O MCULE-9967832052 [1,0,0,0,0,1|1,0,1]=4 557 B15R2.627 O=C(O)C1=C(C2=C(C=CC=C2)C=C1)Br MCULE-5818843183 [1,0,0,0,0,1|2,0,0]=4 558 B15R2.627 O=C(O)C1=C(C2=C(C=CC=C2)C=C1)O MCULE-9774378658 [1,0,0,0,0,1|1,0,1]=4 559 B15R2.627 O=C(O)C1=C(C2=C(C=CC=C2)C=N1)O MCULE-3694537658 [1,0,0,0,0,1|0,0,2]=4 560 B15R2.627 O=C(O)C1=C(C2=C(C=CC=C2)N=C1)Cl MCULE-9510611268 [1,0,0,0,0,1|1,0,1]=4 561 B15R2.627 O=C(O)C1=C(C2=CC=CC=C2C=C1)F MCULE-9928892498 [1,0,0,0,0,1|2,0,0]=4 562 B15R2.627 O=C(O)C1=C(C2=CC=CC=C2N=C1)Br MCULE-5241890701 [1,0,0,0,0,1|1,0,1]=4 563 B15R2.627 O=C(O)C1=CN=C2C=CC=CN2C1=O MCULE-3089063662 [1,0,0,0,0,1|1,0,1]=4 564 B15R2.627 O=C(O)C1=CN=C2C=CC=CN2C1=O MCULE-3285312647 [1,0,0,0,0,1|1,0,1]=4 565 B15R2.627 O=C(O)C1=CNC2=C(C1=O)C=NC=C2 MCULE-6302090125 [1,0,0,0,0,1|1,0,0]=3 566 B15R2.627 O=C(O)C1=CNC2=CC=CC=C2C1=O MCULE-3297956272 [1,0,0,0,0,1|0,0,0]=2 567 B15R2.627 O=C(O)C1=COC2=C(C1=O)C=CC=C2 MCULE-5534393487 [1,0,0,0,0,1|1,0,0]=3 568 B15R2.627 O=C(O)C1=CSC2=C(C1=O)C=CC=N2 MCULE-3983610205 [1,0,0,0,0,1|2,0,0]=4 569 B15R2.627 O=C(O)C1=NNC2=C(C1=O)C=CC=C2 MCULE-3032716103 [1,0,0,0,0,1|0,0,0]=2 570 B15R2.627 O=C(O)C1=NNC2=NC=CC=C2C1=O MCULE-3137837696 [1,0,0,0,0,1|1,0,0]=3 571 B15R2.627 O=C1C(=CNC2=C1C=CC=C2)N(=O)=O MCULE-2962183885 [1,0,0,0,0,1|1,0,1]=4 572 B15R2.629 CC1=C(OC2=CC=CC=C12)CC(=O)O MCULE-9417857957 [1,0,0,0,0,1|1,0,1]=4 573 B15R2.629 CC1=C(SC2=C1C=CC=C2)CC(=O)O MCULE-9945089660 [1,0,0,0,0,1|1,0,1]=4 574 B15R2.629 O=C(O)CC1CC2=C(C1=O)C=CC=C2 MCULE-1402715967 [1,0,0,0,0,1|1,0,1]=4 575 B15R2.629 O=C(O)CN1CC2=C(C1=O)C=CC=C2 MCULE-2296148847 [1,0,0,0,0,1|2,0,0]=4 576 B15R2.629 O=C(O)CN1NC2=CC=CC=C2C1=O MCULE-9472624821 [1,0,0,0,0,1|1,0,0]=3 577 B15R2.629 O=C(O)CN1SC2=CC=CC=C2C1=O MCULE-3963413972 [1,0,0,0,0,1|2,0,0]=4 578 B15R2.117 O=CC1=C(C=C2C=CC=CC2=C1)C=O MCULE-3805176311 [1,0,0,0,0,1|1,0,0]=3 579 B17R2.14947 CC(=O)OC1=C(C2=CC=CC=C2C=C1)C=O MCULE-6394534130 [0,0,0,0,0,2|2,0,0]=4 580 B17R2.8946 O=CC1=C(NC2=C1C=CC=C2)CCC(=O)O MCULE-9127313504 [0,0,0,0,0,2|0,0,0]=2