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[0,0,0,0,0,0|4,0,0]=4 12 B17R2.520754 C[C@H](NC1=C2C=CC=CC2=CC=C1)C(=O)O MCULE-8611812916 [0,0,0,0,0,0|2,0,0]=2 13 B17R2.520754 NC(=O)C(=O)NC1=CC=CC2=CC=CC=C12 MCULE-1419642588 [0,0,0,0,0,0|3,0,1]=4 14 B17R2.520754 NC(CC1=C2C=CC=CC2=CC=C1)C(=O)O MCULE-1682014366 [0,0,0,0,0,0|0,0,0]=0 15 B17R2.520754 NC(CC1=C2C=CC=CC2=CC=C1)C(=O)O MCULE-7621787279 [0,0,0,0,0,0|0,0,0]=0 16 B17R2.520754 NC(CC1=C2CCCCC2=CC=C1)C(=O)O MCULE-5818563966 [0,0,0,0,0,0|0,0,4]=4 17 B17R2.520754 NC(CC1=C2CCCCC2=CC=C1)C(=O)O MCULE-7586200203 [0,0,0,0,0,0|0,0,4]=4 18 B17R2.520754 NC(CC1=CC=CC2=CC=CC=C12)C(=O)O MCULE-4033199506 [0,0,0,0,0,0|0,0,0]=0 19 B17R2.520754 NC(CC1=CC=NC2=CC=CC=C12)C(=O)O MCULE-2185623458 [0,0,0,0,0,0|1,0,0]=1 20 B17R2.520754 NC(CC1=CC=NC2=CC=CC=C12)C(=O)O MCULE-4349632846 [0,0,0,0,0,0|1,0,0]=1 21 B17R2.520754 NC(CN1CCCC2=C1C=CC=C2)C(=O)O MCULE-6175983409 [0,0,0,0,0,0|1,0,3]=4 22 B17R2.520754 NC(CN1CCCC2=C1C=CC=C2)C(=O)O MCULE-9626114838 [0,0,0,0,0,0|1,0,3]=4 23 B17R2.520754 N[C@@H](CC1=C2C=CC=CC2=CC=C1)C(=O)O MCULE-4205242976 [0,0,0,0,0,0|0,0,0]=0 24 B17R2.520754 N[C@@H](CC1=C2C=CC=CC2=CC=C1)C(=O)O MCULE-4718361306 [0,0,0,0,0,0|0,0,0]=0 25 B17R2.520754 N[C@@H](CC1=C2C=CC=CC2=CC=C1)C(=O)O MCULE-7852162590 [0,0,0,0,0,0|0,0,0]=0 26 B17R2.520754 N[C@@H](CC1=C2C=CC=CC2=CC=C1)C(=O)O MCULE-8754238893 [0,0,0,0,0,0|0,0,0]=0 27 B17R2.520754 N[C@@H](CC1=C2CCCCC2=CC=C1)C(=O)O MCULE-3679971074 [0,0,0,0,0,0|0,0,4]=4 28 B17R2.520754 N[C@@H](CC1=C2CCCCC2=CC=C1)C(=O)O MCULE-4337404311 [0,0,0,0,0,0|0,0,4]=4 29 B17R2.520754 N[C@@H](CC1=C2CCCCC2=CC=C1)C(=O)O MCULE-4746223031 [0,0,0,0,0,0|0,0,4]=4 30 B17R2.520754 N[C@@H](CC1=C2CCCCC2=CC=C1)C(=O)O MCULE-8434986559 [0,0,0,0,0,0|0,0,4]=4 31 B17R2.520754 N[C@@H](CC1=CC=NC2=CC=CC=C12)C(=O)O MCULE-3259277930 [0,0,0,0,0,0|1,0,0]=1 32 B17R2.520754 N[C@@H](CC1=CC=NC2=CC=CC=C12)C(=O)O MCULE-6271768059 [0,0,0,0,0,0|1,0,0]=1 33 B17R2.520754 N[C@@H](CC1=CC=NC2=CC=CC=C12)C(=O)O MCULE-6636488216 [0,0,0,0,0,0|1,0,0]=1 34 B17R2.520754 N[C@@H](CC1=CC=NC2=CC=CC=C12)C(=O)O MCULE-6922954844 [0,0,0,0,0,0|1,0,0]=1 35 B17R2.520754 N[C@H](CC1=C2C=CC=CC2=CC=C1)C(=O)O MCULE-2667281684 [0,0,0,0,0,0|0,0,0]=0 36 B17R2.520754 N[C@H](CC1=C2C=CC=CC2=CC=C1)C(=O)O MCULE-4503526156 [0,0,0,0,0,0|0,0,0]=0 37 B17R2.520754 N[C@H](CC1=C2C=CC=CC2=CC=C1)C(=O)O MCULE-8782361400 [0,0,0,0,0,0|0,0,0]=0 38 B17R2.520754 N[C@H](CC1=C2C=CC=CC2=CC=C1)C(=O)O MCULE-9955614853 [0,0,0,0,0,0|0,0,0]=0 39 B17R2.520754 N[C@H](CC1=CC=NC2=CC=CC=C12)C(=O)O MCULE-3795682049 [0,0,0,0,0,0|1,0,0]=1 40 B17R2.520754 O=C(O)C(=O)NC1=C2C=CC=CC2=CC=C1 MCULE-7572946688 [0,0,0,0,0,0|2,0,1]=3 41 B16R2.170412 CC(CN)CC1=C2C=CC=CC2=CC=C1 MCULE-1246085579 [1,0,0,0,0,0|2,0,1]=4 42 B16R2.170412 N/C(=N\O)/CC1=CC=CC2=CC=CC=C12 MCULE-2782743976 [1,0,0,0,0,0|1,0,1]=3 43 B16R2.170412 O=C(CC1=C2C=CC=CC2=CC=C1)NO MCULE-4696425449 [1,0,0,0,0,0|2,0,1]=4 44 B16R2.179941 C=C(C)CCC1=CC=CC2=CC=CC=C12 MCULE-9602797463 [1,0,0,0,0,0|2,0,0]=3 45 B16R2.179941 CC(=O)CCC1=C2C=CC=CC2=CC=C1 MCULE-8933922318 [1,0,0,0,0,0|1,0,0]=2 46 B16R2.179941 CC(=O)CCC1=C2C=CC=CC2=CN=C1 MCULE-6509347005 [1,0,0,0,0,0|2,0,0]=3 47 B16R2.179941 CN(C)CCC1=C2C=CC=CC2=CC=C1 MCULE-7267224706 [1,0,0,0,0,0|3,0,0]=4 48 B16R2.179941 N=C(N)NCC1=C2C=CC=CC2=CC=C1 MCULE-9268146293 [1,0,0,0,0,0|3,0,0]=4 49 B16R2.179941 N=C(N)SCC1=C2C=CC=CC2=CC=C1 MCULE-5790648587 [1,0,0,0,0,0|3,0,0]=4 50 B16R2.179941 N=C(N)SCC1=C2C=CC=CC2=CC=C1 MCULE-8310176878 [1,0,0,0,0,0|3,0,0]=4 51 B16R2.179941 NC(=O)CCC1=CC=CC2=CC=CC=C12 MCULE-1931911212 [1,0,0,0,0,0|1,0,0]=2 52 B16R2.179941 NC(=O)COC1=C2C=CC=CC2=CC=C1 MCULE-6531841643 [1,0,0,0,0,0|2,0,0]=3 53 B16R2.179941 NC(=O)COC1=C2N=CC=CC2=CC=C1 MCULE-5162892552 [1,0,0,0,0,0|3,0,0]=4 54 B16R2.179941 NC(=O)CSC1=C2N=CC=CC2=CC=C1 MCULE-4406727033 [1,0,0,0,0,0|3,0,0]=4 55 B16R2.179941 NC(=O)CSC1=NC=CC2=CC=CC=C12 MCULE-6768111493 [1,0,0,0,0,0|3,0,0]=4 56 B16R2.179941 O=C(Cl)/C=C/C1=CC=CC2=C1C=CC=C2 MCULE-4446900120 [1,0,0,0,0,0|1,0,2]=4 57 B16R2.179941 O=C(Cl)C=CC1=CC=CC2=C1C=CC=C2 MCULE-9789166060 [1,0,0,0,0,0|1,0,2]=4 58 B16R2.179941 O=C(Cl)CCC1=CC=CC2=CC=CC=C12 MCULE-3633070188 [1,0,0,0,0,0|1,0,0]=2 59 B16R2.179941 O=C(Cl)COC1=C2C=CC=CC2=CC=C1 MCULE-2455673531 [1,0,0,0,0,0|2,0,0]=3 60 B16R2.179941 O=C(O)/C=C/C1=C2C=CC=CC2=CC=C1 MCULE-2102991584 [1,0,0,0,0,0|0,0,2]=3 61 B16R2.179941 O=C(O)C#CC1=CC=CC2=CC=CC=C12 MCULE-3324290023 [1,0,0,0,0,0|0,0,2]=3 62 B16R2.179941 O=C(O)C=CC1=C2C=CC=CC2=CC=C1 MCULE-9343200692 [1,0,0,0,0,0|0,0,2]=3 63 B16R2.179941 O=C(O)C=CC1=C2C=CC=CC2=NC=C1 MCULE-3640092561 [1,0,0,0,0,0|1,0,2]=4 64 B16R2.179941 O=C(O)C=CC1=C2C=CN=CC2=CC=C1 MCULE-1228338669 [1,0,0,0,0,0|1,0,2]=4 65 B16R2.179941 O=C(O)C=CC1=C2N=CC=CC2=CC=C1 MCULE-9504787762 [1,0,0,0,0,0|1,0,2]=4 66 B16R2.179941 O=C(O)CCC1=C2C=CC=CC2=CC=C1 MCULE-6755596415 [1,0,0,0,0,0|0,0,0]=1 67 B16R2.179941 O=C(O)CCC1=C2C=CC=CC2=CN=C1 MCULE-4075360632 [1,0,0,0,0,0|1,0,0]=2 68 B16R2.179941 O=C(O)CCC1=C2C=CC=CC2=NC=C1 MCULE-1182257474 [1,0,0,0,0,0|1,0,0]=2 69 B16R2.179941 O=C(O)CCC1=CC=CC2=C1C=CN=C2 MCULE-2558389451 [1,0,0,0,0,0|1,0,0]=2 70 B16R2.179941 O=C(O)CCC1=CC=CC2=C1C=CN=C2 MCULE-4917197129 [1,0,0,0,0,0|1,0,0]=2 71 B16R2.179941 O=C(O)CCC1=CCCC2=C1C=CC=C2 MCULE-3365793903 [1,0,0,0,0,0|0,0,2]=3 72 B16R2.179941 O=C(O)CCC1=NC=NC2=CC=CC=C12 MCULE-8762925874 [1,0,0,0,0,0|2,0,0]=3 73 B16R2.179941 O=C(O)CNC1=CC=CC2=C1C=CC=C2 MCULE-3493254762 [1,0,0,0,0,0|1,0,0]=2 74 B16R2.179941 O=C(O)CNC1=NC=NC2=CC=CC=C12 MCULE-3120766562 [1,0,0,0,0,0|3,0,0]=4 75 B16R2.179941 O=C(O)CNC1=[NH+]C=NC2=CC=CC=C12 MCULE-6414093657 [1,0,0,0,0,0|3,0,0]=4 76 B16R2.179941 O=C(O)COC1=C2C=CC=CC2=CC=C1 MCULE-2007375815 [1,0,0,0,0,0|1,0,0]=2 77 B16R2.179941 O=C(O)COC1=C2N=CC=CC2=CC=C1 MCULE-1028044663 [1,0,0,0,0,0|2,0,0]=3 78 B16R2.179941 O=C(O)COC1=C2N=CC=CC2=CC=C1 MCULE-9088973100 [1,0,0,0,0,0|2,0,0]=3 79 B16R2.179941 O=C(O)COC1=CC=NC2=C1C=CC=C2 MCULE-7950847031 [1,0,0,0,0,0|2,0,0]=3 80 B16R2.179941 O=C(O)COC1=NC=NC2=C1C=CC=C2 MCULE-8759024337 [1,0,0,0,0,0|3,0,0]=4 81 B16R2.179941 O=C(O)COC1=NC=NC2=CC=CC=C12 MCULE-1455020973 [1,0,0,0,0,0|3,0,0]=4 82 B16R2.179941 O=C(O)CSC1=C2C=CC=CC2=CC=C1 MCULE-4972551873 [1,0,0,0,0,0|1,0,0]=2 83 B16R2.179941 O=C(O)CSC1=C2N=CC=CC2=CC=C1 MCULE-3801435583 [1,0,0,0,0,0|2,0,0]=3 84 B16R2.179941 O=C(O)CSC1=NC=CC2=CC=CC=C12 MCULE-9011967010 [1,0,0,0,0,0|2,0,0]=3 85 B16R2.179941 O=C(O)CSC1=NC=NC2=CC=CC=C12 MCULE-7493201034 [1,0,0,0,0,0|3,0,0]=4 86 B16R2.179941 O=C(O)CSC1=NN=CC2=CC=CC=C12 MCULE-9596067407 [1,0,0,0,0,0|3,0,0]=4 87 B16R2.179941 O=C([O-])COC1=CC=CC2=CC=CN=C12 MCULE-9597781018 [1,0,0,0,0,0|2,0,1]=4 88 B16R2.179941 O=C([O-])CSC1=NC=CC2=CC=CC=C12 MCULE-2302071531 [1,0,0,0,0,0|2,0,1]=4 89 B18R2.4027 CC(SC1=C2C=CC(=CC2=NC=C1)Cl)C(=O)O MCULE-8585906831 [0,1,0,0,0,0|3,0,0]=4 90 B18R2.6164 NC(CC1=CC(=O)NC2=C1C=CC=C2)C(=O)O MCULE-1302490434 [0,1,0,0,0,0|1,0,0]=2 91 B18R2.6164 NC(CC1=CC(=O)NC2=C1C=CC=C2)C(=O)O MCULE-4364204936 [0,1,0,0,0,0|1,0,0]=2 92 B18R2.6164 NC(CC1=CC(=O)NC2=C1C=CC=C2)C(=O)O MCULE-6753428328 [0,1,0,0,0,0|1,0,0]=2 93 B18R2.6164 N[C@@H](CC1=CC(=O)NC2=C1C=CC=C2)C(=O)O MCULE-3638909382 [0,1,0,0,0,0|1,0,0]=2 94 B18R2.6164 N[C@@H](CC1=CC(=O)NC2=C1C=CC=C2)C(=O)O MCULE-7636719783 [0,1,0,0,0,0|1,0,0]=2 95 B18R2.6164 N[C@@H](CC1=CC(=O)NC2=CC=CC=C12)C(=O)O MCULE-2401720251 [0,1,0,0,0,0|1,0,0]=2 96 B18R2.6164 N[C@@H](CC1=CC(=O)NC2=CC=CC=C12)C(=O)O MCULE-9615543713 [0,1,0,0,0,0|1,0,0]=2 97 B18R2.59628 CC(OC1=CC=CC2=C1C=CNC2=O)C(=O)O MCULE-3373788888 [0,1,0,0,0,0|3,0,0]=4 98 B18R2.62416 CC(OC1=C2C=CC=CC2=C(C=C1)N)C(=O)N MCULE-5720047116 [0,1,0,0,0,0|3,0,0]=4 99 B18R2.62416 NC(CC1=C2C=CC=NC2=C(C=C1)O)C(=O)O MCULE-4580415948 [0,1,0,0,0,0|1,0,0]=2 100 B18R2.62416 NC(CC1=C2C=CC=NC2=C(C=C1)O)C(=O)O MCULE-9840194589 [0,1,0,0,0,0|1,0,0]=2 101 B18R2.904449 CC(NC1=CC=CC2=CC=CC=C12)C(=O)NN MCULE-1783040064 [0,1,0,0,0,0|3,0,0]=4 102 B18R2.904449 CC(OC1=C2C=CC=CC2=CC=C1)C(=O)NN MCULE-6371531015 [0,1,0,0,0,0|3,0,0]=4 103 B18R2.904449 CC(OC1=CC=CC2=CC=CC=C12)C(=N)NO MCULE-1164795749 [0,1,0,0,0,0|3,0,0]=4 104 B18R2.904449 CC(OC1=CC=CC2=CC=CC=C12)C(=N)NO MCULE-1532844384 [0,1,0,0,0,0|3,0,0]=4 105 B18R2.904449 CNC(=O)C(C)OC1=CC=CC2=CC=CC=C12 MCULE-6325706997 [0,1,0,0,0,0|3,0,0]=4 106 B18R2.904449 COC(=O)C(Br)CC1=CC=CC2=CC=CC=C12 MCULE-9336632457 [0,1,0,0,0,0|1,0,0]=2 107 B18R2.904449 COC(=O)C(C)OC1=CC=CC2=C1C=CC=C2 MCULE-1135199257 [0,1,0,0,0,0|2,0,0]=3 108 B18R2.904449 COC(=O)C(N)CC1=C2C=CC=CC2=CC=C1 MCULE-5746838090 [0,1,0,0,0,0|0,0,0]=1 109 B18R2.904449 COC(=O)C(N)CC1=C2C=CC=CC2=CC=C1 MCULE-6917309468 [0,1,0,0,0,0|0,0,0]=1 110 B18R2.904449 COC(=O)C(N)CC1=CC=NC2=CC=CC=C12 MCULE-8054720274 [0,1,0,0,0,0|1,0,0]=2 111 B18R2.904449 COC(=O)[C@@H](N)CC1=C2C=CC=CC2=CC=C1 MCULE-6594519142 [0,1,0,0,0,0|0,0,0]=1 112 B18R2.904449 COC(=O)[C@@H](N)CC1=C2C=CC=CC2=CC=C1 MCULE-6734176014 [0,1,0,0,0,0|0,0,0]=1 113 B18R2.904449 COC(=O)[C@@H](N)CC1=C2C=CC=CC2=CC=C1 MCULE-7211773184 [0,1,0,0,0,0|0,0,0]=1 114 B18R2.904449 COC(=O)[C@@H](N)CC1=C2C=CC=CC2=CC=C1 MCULE-8323106792 [0,1,0,0,0,0|0,0,0]=1 115 B18R2.904449 COC(=O)[C@@H](N)CC1=CC=NC2=CC=CC=C12 MCULE-9747316982 [0,1,0,0,0,0|1,0,0]=2 116 B18R2.904449 COC(=O)[C@@H](N)CC1=CN=CC2=C1C=CC=C2 MCULE-5696964089 [0,1,0,0,0,0|1,0,0]=2 117 B18R2.904449 COC(=O)[C@H](N)CC1=C2C=CC=CC2=CC=C1 MCULE-1237739592 [0,1,0,0,0,0|0,0,0]=1 118 B18R2.904449 COC(=O)[C@H](N)CC1=C2C=CC=CC2=CC=C1 MCULE-4372721823 [0,1,0,0,0,0|0,0,0]=1 119 B18R2.904449 COC(=O)[C@H](N)CC1=C2C=CC=CC2=CC=C1 MCULE-5885546668 [0,1,0,0,0,0|0,0,0]=1 120 B18R2.904449 COC(=O)[C@H](N)CC1=C2C=CC=CC2=CC=C1 MCULE-9036371325 [0,1,0,0,0,0|0,0,0]=1 121 B18R2.904449 COC(=O)[C@H](N)CC1=CC=NC2=CC=CC=C12 MCULE-4380379524 [0,1,0,0,0,0|1,0,0]=2 122 B18R2.904449 COC(=O)[C@H](N)CC1=CN=CC2=C1C=CC=C2 MCULE-7354008110 [0,1,0,0,0,0|1,0,0]=2 123 B18R2.913225 CCC(OC1=C2C=CC=CC2=CC=C1)C(=O)Cl MCULE-5233665261 [0,1,0,0,0,0|3,0,0]=4 124 B18R2.913225 CCC(OC1=C2C=CC=CC2=CC=C1)C(=O)O MCULE-4258500260 [0,1,0,0,0,0|2,0,0]=3 125 B18R2.913225 N#CC(CC1=C2C=CC=CC2=CC=C1)C(=O)O MCULE-5080754985 [0,1,0,0,0,0|0,0,1]=2 126 B18R2.913225 NCC(CC1=C2C=CC=CC2=CC=C1)C(=O)O MCULE-8982161220 [0,1,0,0,0,0|0,0,0]=1 127 B18R2.1372400 CC(C)(OC1=C2C=CC=CC2=CC=C1)C(=O)Cl MCULE-6231933850 [0,1,0,0,0,0|3,0,0]=4 128 B18R2.1372400 CC(C)(OC1=C2C=CC=CC2=CC=C1)C(=O)O MCULE-8196436038 [0,1,0,0,0,0|2,0,0]=3 129 B18R2.2912343 NC(C1=C2C=CC=CC2=CC=C1)C(O)C(=O)O MCULE-3158248463 [0,1,0,0,0,0|1,0,0]=2 130 B18R2.2912343 N[C@@H](C1=C2C=CC=CC2=CC=C1)[C@H](O)C(=O)O MCULE-9946915354 [0,1,0,0,0,0|1,0,0]=2 131 B18R2.2912343 N[C@H](C1=C2C=CC=CC2=CC=C1)[C@@H](O)C(=O)O MCULE-3101439299 [0,1,0,0,0,0|1,0,0]=2 132 B18R3.6310 O=C1OC2=CC=C3C=CC=CC3=C2C=C1S MCULE-8028727614 [0,0,0,1,0,0|1,0,2]=4 133 B18R3.7353 O=C(O)C1CC1C2=C3C=CC=CC3=CC=C2 MCULE-7053036690 [0,0,0,1,0,0|1,0,0]=2 134 B18R3.7353 O=C(O)C1CC1C2=C3C=CC=CC3=NC=C2 MCULE-8088552648 [0,0,0,1,0,0|2,0,0]=3 135 B18R3.7353 O=C(O)[C@@H]1C[C@H]1C2=C3C=CC=CC3=CC=C2 MCULE-9604194619 [0,0,0,1,0,0|1,0,0]=2 136 B18R3.7353 O=C(O)[C@H]1C[C@@H]1C2=C3C=CC=CC3=CC=C2 MCULE-6045987686 [0,0,0,1,0,0|1,0,0]=2 137 B18R3.117881 O=C(O)C1=CC2=C(N1)C3=CC=CC=C3C=C2 MCULE-1784910823 [0,0,0,1,0,0|2,0,1]=4 138 B18R3.117881 O=C(O)C1=CC2=C(O1)C=CC3=CC=CC=C23 MCULE-8440739199 [0,0,0,1,0,0|1,0,2]=4 139 B18R3.117881 O=C(O)C1=CC2=C3C=CC=CC3=CC=C2N1 MCULE-8725630028 [0,0,0,1,0,0|0,0,2]=3 140 B18R3.117881 O=C(O)C1=CC2=CC=C3C=CC=CC3=C2S1 MCULE-3102098981 [0,0,0,1,0,0|2,0,1]=4 141 B18R3.117881 O=C(O)C1CC2=C(O1)C=CC3=C2C=CC=C3 MCULE-8715736033 [0,0,0,1,0,0|1,0,0]=2 142 B16R2.12 C(N)(CC1=CNC2=C1C=CC=C2)C(=O)O MCULE-7691364516 [0,0,0,0,1,0|1,0,0]=2 143 B16R2.12 C(N)(CC1=CSC2=C1C=CC=C2)C(=O)O MCULE-9390030100 [0,0,0,0,1,0|1,0,0]=2 144 B16R2.12 CC(CC1=CNC2=CC=CC=C12)C(=O)O MCULE-2892960681 [0,0,0,0,1,0|2,0,0]=3 145 B16R2.12 CC(CN1C=CC2=C1C=CC=C2)C(=O)O MCULE-5926856922 [0,0,0,0,1,0|2,0,0]=3 146 B16R2.12 CC(CN1C=NC2=CC=CC=C12)C(=O)O MCULE-3505705922 [0,0,0,0,1,0|3,0,0]=4 147 B16R2.12 CC(CN1N=CC2=C1C=CC=C2)C(=O)O MCULE-3626269889 [0,0,0,0,1,0|3,0,0]=4 148 B16R2.12 CC(SC1=CNC2=C1C=CC=C2)C(=O)O MCULE-1545356214 [0,0,0,0,1,0|3,0,0]=4 149 B16R2.12 C[C@H](NC1=CSC2=C1C=CC=C2)C(=O)O MCULE-3072834173 [0,0,0,0,1,0|3,0,0]=4 150 B16R2.12 C[C@H](NC1=CSC2=CC=CC=C12)C(=O)O MCULE-4939358545 [0,0,0,0,1,0|3,0,0]=4 151 B16R2.12 NC(=O)C(N)CC1=CNC2=C1C=CC=C2 MCULE-3066097949 [0,0,0,0,1,0|2,0,0]=3 152 B16R2.12 NC(=O)C(N)CC1=CNC2=C1C=CC=C2 MCULE-8443491955 [0,0,0,0,1,0|2,0,0]=3 153 B16R2.12 NC(=O)[C@@H](N)CC1=CNC2=C1C=CC=C2 MCULE-1545475984 [0,0,0,0,1,0|2,0,0]=3 154 B16R2.12 NC(=O)[C@@H](N)CC1=CNC2=C1C=CC=C2 MCULE-2495284243 [0,0,0,0,1,0|2,0,0]=3 155 B16R2.12 NC(=O)[C@@H](N)CC1=CNC2=C1C=CC=C2 MCULE-6670583047 [0,0,0,0,1,0|2,0,0]=3 156 B16R2.12 NC(=O)[C@@H](N)CC1=CNC2=C1C=CC=C2 MCULE-7340384638 [0,0,0,0,1,0|2,0,0]=3 157 B16R2.12 NC(=O)[C@H](O)CC1=CNC2=C1C=CC=C2 MCULE-6002866157 [0,0,0,0,1,0|3,0,0]=4 158 B16R2.12 NC(CC1=CNC2=C1C=CC=C2)C(=O)O MCULE-5675773208 [0,0,0,0,1,0|1,0,0]=2 159 B16R2.12 NC(CC1=CNC2=C1C=CN=C2)C(=O)O MCULE-7914194741 [0,0,0,0,1,0|2,0,0]=3 160 B16R2.12 NC(CC1=CNC2=C1N=CC=C2)C(=O)O MCULE-2168870848 [0,0,0,0,1,0|2,0,0]=3 161 B16R2.12 NC(CC1=CNC2=C1N=CC=C2)C(=O)O MCULE-3705960079 [0,0,0,0,1,0|2,0,0]=3 162 B16R2.12 NC(CC1=CNC2=C1N=CC=N2)C(=O)O MCULE-9264840769 [0,0,0,0,1,0|3,0,0]=4 163 B16R2.12 NC(CC1=CNC2=NC=CC=C12)C(=O)O MCULE-5682942023 [0,0,0,0,1,0|2,0,0]=3 164 B16R2.12 NC(CC1=CNC2=NC=CC=C12)C(=O)O MCULE-5769182405 [0,0,0,0,1,0|2,0,0]=3 165 B16R2.12 NC(CC1=COC2=C1C=CC=C2)C(=O)O MCULE-6783788936 [0,0,0,0,1,0|1,0,0]=2 166 B16R2.12 NC(CC1=CSC2=C1C=CC=C2)C(=O)O MCULE-1466278778 [0,0,0,0,1,0|1,0,0]=2 167 B16R2.12 NC(CN1C=NC2=C1C=CC=C2)C(=O)O MCULE-5808639127 [0,0,0,0,1,0|2,0,0]=3 168 B16R2.12 NC(CN1N=NC2=C1C=CC=C2)C(=O)O MCULE-9996063121 [0,0,0,0,1,0|3,0,0]=4 169 B16R2.12 N[C@@H](CC1=C2C=CNC=C2N=C1)C(=O)O MCULE-7476750105 [0,0,0,0,1,0|2,0,0]=3 170 B16R2.12 N[C@@H](CC1=C2NC=CC=C2N=C1)C(=O)O MCULE-9698297023 [0,0,0,0,1,0|2,0,0]=3 171 B16R2.12 N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)O MCULE-3721322622 [0,0,0,0,1,0|1,0,0]=2 172 B16R2.12 N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)O MCULE-8004234494 [0,0,0,0,1,0|1,0,0]=2 173 B16R2.12 N[C@@H](CC1=CNC2=C1C=CN=C2)C(=O)O MCULE-3547598485 [0,0,0,0,1,0|2,0,0]=3 174 B16R2.12 N[C@@H](CC1=CNC2=C1C=CN=C2)C(=O)O MCULE-7707361491 [0,0,0,0,1,0|2,0,0]=3 175 B16R2.12 N[C@@H](CC1=CNC2=C1C=NC=C2)C(=O)O MCULE-7462566193 [0,0,0,0,1,0|2,0,0]=3 176 B16R2.12 N[C@@H](CC1=CNC2=C1N=CC=C2)C(=O)O MCULE-5719127161 [0,0,0,0,1,0|2,0,0]=3 177 B16R2.12 N[C@@H](CC1=CNC2=CC=CN=C12)C(=O)O MCULE-2993588407 [0,0,0,0,1,0|2,0,0]=3 178 B16R2.12 N[C@@H](CC1=CNC2=NC=CC=C12)C(=O)O MCULE-2848201757 [0,0,0,0,1,0|2,0,0]=3 179 B16R2.12 N[C@@H](CC1=CNC2=NC=CC=C12)C(=O)O MCULE-5628776627 [0,0,0,0,1,0|2,0,0]=3 180 B16R2.12 N[C@@H](CC1=COC2=C1C=CC=C2)C(=O)O MCULE-4386551750 [0,0,0,0,1,0|1,0,0]=2 181 B16R2.12 N[C@@H](CC1=CSC2=C1C=CC=C2)C(=O)O MCULE-9652327577 [0,0,0,0,1,0|1,0,0]=2 182 B16R2.12 N[C@@H](CC1=CSC2=CC=CC=C12)C(=O)O MCULE-6468579383 [0,0,0,0,1,0|1,0,0]=2 183 B16R2.12 N[C@@H](CN1N=NC2=C1C=CC=C2)C(=O)O MCULE-7595639482 [0,0,0,0,1,0|3,0,0]=4 184 B16R2.12 N[C@@H](CN1N=NC2=C1C=CC=C2)C(=O)O MCULE-8773290838 [0,0,0,0,1,0|3,0,0]=4 185 B16R2.12 N[C@@H](CN1N=NC2=C1C=CC=C2)C(=O)O MCULE-8783403149 [0,0,0,0,1,0|3,0,0]=4 186 B16R2.12 N[C@@H](CN1N=NC2=C1C=CC=C2)C(=O)O MCULE-8945946277 [0,0,0,0,1,0|3,0,0]=4 187 B16R2.12 N[C@H](CC1=CNC2=C1C=CC=C2)C(=O)O MCULE-4102614655 [0,0,0,0,1,0|1,0,0]=2 188 B16R2.12 N[C@H](CC1=CNC2=C1C=CN=C2)C(=O)O MCULE-8686553455 [0,0,0,0,1,0|2,0,0]=3 189 B16R2.12 N[C@H](CC1=CNC2=CC=CC=C12)C(=O)O MCULE-3038020375 [0,0,0,0,1,0|1,0,0]=2 190 B16R2.12 N[C@H](CC1=CNC2=CC=CC=C12)C(=O)O MCULE-9808999085 [0,0,0,0,1,0|1,0,0]=2 191 B16R2.12 N[C@H](CC1=CNC2=NC=CC=C12)C(=O)O MCULE-1273995147 [0,0,0,0,1,0|2,0,0]=3 192 B16R2.12 N[C@H](CC1=CNC2=NC=CC=C12)C(=O)O MCULE-6851752263 [0,0,0,0,1,0|2,0,0]=3 193 B16R2.12 N[C@H](CC1=COC2=C1C=CC=C2)C(=O)O MCULE-6842813111 [0,0,0,0,1,0|1,0,0]=2 194 B16R2.12 N[C@H](CC1=CSC2=C1C=CC=C2)C(=O)O MCULE-3310371569 [0,0,0,0,1,0|1,0,0]=2 195 B16R2.12 N[C@H](CC1=CSC2=CC=CC=C12)C(=O)O MCULE-3595523397 [0,0,0,0,1,0|1,0,0]=2 196 B16R2.12 O=C(O)C(=O)CC1=CNC2=C1C=CC=C2 MCULE-1073478615 [0,0,0,0,1,0|2,0,1]=4 197 B16R2.12 O=C(O)C(O)CC1=CNC2=C1C=CC=C2 MCULE-9202778593 [0,0,0,0,1,0|2,0,0]=3 198 B16R2.12 O=C(O)[C@@H](O)CC1=CNC2=C1C=CC=C2 MCULE-9292718284 [0,0,0,0,1,0|2,0,0]=3 199 B16R2.49441 NC(CC1=CC=CC2=C1C=CN2)C(=O)O MCULE-3187802838 [0,0,0,0,1,0|1,0,0]=2 200 B16R2.49441 NC(CC1=CC=CC2=NSN=C12)C(=O)O MCULE-1481756593 [0,0,0,0,1,0|3,0,0]=4 201 B16R2.49441 NC(CC1=CC=CC2=NSN=C12)C(=O)O MCULE-7721186352 [0,0,0,0,1,0|3,0,0]=4 202 B16R2.49441 N[C@@H](CC1=C2OCOC2=CC=C1)C(=O)O MCULE-1185381843 [0,0,0,0,1,0|2,0,1]=4 203 B16R2.49441 N[C@@H](CC1=C2OCOC2=CC=C1)C(=O)O MCULE-5868932358 [0,0,0,0,1,0|2,0,1]=4 204 B16R2.244415 C=C(C(=O)O)C1=C2C=CC=CC2=CC=C1 MCULE-2154034128 [0,0,0,0,1,0|1,0,1]=3 205 B16R2.244415 CC(=O)N(C)C1=C2C=CC=CC2=CC=C1 MCULE-7519361422 [0,0,0,0,1,0|3,0,0]=4 206 B16R2.244415 CC(C(=O)O)C1=C2C=CC=CC2=CC=C1 MCULE-2048793198 [0,0,0,0,1,0|1,0,0]=2 207 B16R2.244415 C[C@@H](O)[C@@H](N)C1=C2C=CC=CC2=CC=C1 MCULE-5992137834 [0,0,0,0,1,0|1,0,1]=3 208 B16R2.244415 C[C@@H](O)[C@@H](N)C1=C2C=CC=CC2=CC=C1 MCULE-9460892501 [0,0,0,0,1,0|1,0,1]=3 209 B16R2.244415 C[C@H](O)[C@H](N)C1=C2C=CC=CC2=CC=C1 MCULE-7519669240 [0,0,0,0,1,0|1,0,1]=3 210 B16R2.244415 C[C@H](O)[C@H](N)C1=C2C=CC=CC2=CC=C1 MCULE-7970986079 [0,0,0,0,1,0|1,0,1]=3 211 B16R2.244415 NC(C(=O)O)C1=C2C=CC=CC2=CC=C1 MCULE-1668976715 [0,0,0,0,1,0|0,0,0]=1 212 B16R2.244415 NC(C(=O)O)C1=C2C=CC=CC2=CC=C1 MCULE-3817950079 [0,0,0,0,1,0|0,0,0]=1 213 B16R2.244415 NC(C(=O)O)C1=C2C=CC=CC2=CC=C1 MCULE-7290075140 [0,0,0,0,1,0|0,0,0]=1 214 B16R2.244415 NC(C(=O)O)C1=CC=CC2=CC=CC=C12 MCULE-7446621392 [0,0,0,0,1,0|0,0,0]=1 215 B16R2.244415 N[C@@H](C(=O)O)C1=C2C=CC=CC2=CC=C1 MCULE-2114748931 [0,0,0,0,1,0|0,0,0]=1 216 B16R2.244415 N[C@@H](C(=O)O)C1=C2C=CC=CC2=CC=C1 MCULE-4127798936 [0,0,0,0,1,0|0,0,0]=1 217 B16R2.244415 N[C@@H](C(=O)O)C1=C2C=CC=CC2=CC=C1 MCULE-5110533242 [0,0,0,0,1,0|0,0,0]=1 218 B16R2.244415 N[C@@H](C(=O)O)C1=C2C=CC=CC2=CC=C1 MCULE-7484069804 [0,0,0,0,1,0|0,0,0]=1 219 B16R2.244415 N[C@@H](C1=CC=CC2=C1C=CC=C2)C(F)F MCULE-1509110910 [0,0,0,0,1,0|2,0,1]=4 220 B16R2.244415 N[C@@H](C1=CC=CC2=C1C=CC=C2)C(F)F MCULE-3137503343 [0,0,0,0,1,0|2,0,1]=4 221 B16R2.244415 N[C@H](C(=O)O)C1=C2C=CC=CC2=CC=C1 MCULE-3930483477 [0,0,0,0,1,0|0,0,0]=1 222 B16R2.244415 N[C@H](C(=O)O)C1=C2C=CC=CC2=CC=C1 MCULE-8649538702 [0,0,0,0,1,0|0,0,0]=1 223 B16R2.244415 N[C@H](C(=O)O)C1=C2C=CC=CC2=CC=C1 MCULE-9245872714 [0,0,0,0,1,0|0,0,0]=1 224 B16R2.244415 N[C@H](C(=O)O)C1=CC=CC2=C1C=CC=C2 MCULE-8520686749 [0,0,0,0,1,0|0,0,0]=1 225 B16R2.244415 N[C@H](C1=CC=CC2=C1C=CC=C2)C(F)F MCULE-4314004987 [0,0,0,0,1,0|2,0,1]=4 226 B16R2.244415 N[C@H](C1=CC=CC2=C1C=CC=C2)C(F)F MCULE-4999432366 [0,0,0,0,1,0|2,0,1]=4 227 B16R2.244415 O=C(O)C(=O)C1=C2C=CC=CC2=CC=C1 MCULE-5098885194 [0,0,0,0,1,0|1,0,1]=3 228 B18R2.2417296 CC(SCC1=C2C=CC=CC2=CC=C1)C(=O)O MCULE-2652256206 [0,0,0,0,0,1|1,0,0]=2 229 B18R2.2880857 NC(CC(=O)O)CC1=C2C=CC=CC2=CC=C1 MCULE-3013238045 [0,0,0,0,0,1|0,0,0]=1 230 B18R2.2880857 NC(CC(=O)O)CC1=CC=CC2=C1C=CC=C2 MCULE-9404785835 [0,0,0,0,0,1|0,0,0]=1 231 B18R2.2880857 NC(CC(=O)O)CC1=CC=CC2=CC=CC=C12 MCULE-2019424542 [0,0,0,0,0,1|0,0,0]=1 232 B18R2.2880857 NC(CC(=O)O)CC1=CC=CC2=CC=CC=C12 MCULE-5606757508 [0,0,0,0,0,1|0,0,0]=1 233 B18R2.2880857 N[C@@H](CC(=O)O)CC1=C2C=CC=CC2=CC=C1 MCULE-3797651987 [0,0,0,0,0,1|0,0,0]=1 234 B18R2.2880857 N[C@@H](CC(=O)O)CC1=C2C=CC=CC2=CC=C1 MCULE-6033740850 [0,0,0,0,0,1|0,0,0]=1 235 B18R2.2880857 N[C@@H](CC(=O)O)CC1=C2C=CC=CC2=CC=C1 MCULE-9124069558 [0,0,0,0,0,1|0,0,0]=1 236 B18R2.2880857 N[C@@H](CC(=O)O)CC1=C2C=CC=CC2=CC=C1 MCULE-9676520382 [0,0,0,0,0,1|0,0,0]=1 237 B18R2.2880857 N[C@H](CC(=O)O)CC1=C2C=CC=CC2=CC=C1 MCULE-4660850865 [0,0,0,0,0,1|0,0,0]=1 238 B18R2.2880857 N[C@H](CC(=O)O)CC1=C2C=CC=CC2=CC=C1 MCULE-7551483483 [0,0,0,0,0,1|0,0,0]=1 239 B18R2.2880857 N[C@H](CC(=O)O)CC1=C2C=CC=CC2=CC=C1 MCULE-8192986605 [0,0,0,0,0,1|0,0,0]=1 240 B18R2.2880857 N[C@H](CC(=O)O)CC1=C2C=CC=CC2=CC=C1 MCULE-8398868747 [0,0,0,0,0,1|0,0,0]=1 241 B15R1.504 O=C(O)CCNCC=CC1=CC=CC=C1 MCULE-5177066965 [1,0,1,0,0,0|1,0,1]=4 242 B15R1.504 O=C(O)CCNCC=CC1=CC=CC=C1 MCULE-9569139312 [1,0,1,0,0,0|1,0,1]=4 243 B15R1.5793 NC1=C(C=CC=C1)C(=O)CC(N)C(=O)O MCULE-6365994952 [1,0,1,0,0,0|2,0,0]=4 244 B15R1.5793 NC1=C(C=CC=C1)C(=O)C[C@@H](N)C(=O)O MCULE-3000532519 [1,0,1,0,0,0|2,0,0]=4 245 B15R1.5793 NC1=C(C=CC=C1)C(=O)C[C@@H](N)C(=O)O MCULE-4921407586 [1,0,1,0,0,0|2,0,0]=4 246 B15R1.5793 NC1=C(C=CC=C1)C(=O)C[C@H](N)C(=O)O MCULE-9931264693 [1,0,1,0,0,0|2,0,0]=4 247 B15R1.5793 NC1=CC=CC=C1C(=O)CC(N)C(=O)O MCULE-5768672194 [1,0,1,0,0,0|2,0,0]=4 248 B15R1.5793 NC1=CC=CC=C1C(=O)C[C@@H](N)C(=O)O MCULE-4252266743 [1,0,1,0,0,0|2,0,0]=4 249 B15R1.5793 NC1=CC=CC=C1C(=O)C[C@@H](N)C(=O)O MCULE-6921924741 [1,0,1,0,0,0|2,0,0]=4 250 B15R1.5793 NC1=CC=CC=C1C(=O)C[C@H](N)C(=O)O MCULE-2954767871 [1,0,1,0,0,0|2,0,0]=4 251 B15R1.5793 NC1=CC=CC=C1C(=O)C[C@H](N)C(=O)O MCULE-3184741194 [1,0,1,0,0,0|2,0,0]=4 252 B15R1.5793 NC1=CC=CC=C1C(=O)C[C@H](N)C(=O)O MCULE-5938770114 [1,0,1,0,0,0|2,0,0]=4 253 B15R1.5793 N[C@H](CC(=O)C1=CC=CC=C1O)C(=O)O MCULE-9198472086 [1,0,1,0,0,0|2,0,0]=4 254 B15R2.18471 BrCCCC1=C2C=CC=CC2=CC=C1 MCULE-5885030581 [2,0,0,0,0,0|1,0,1]=4 255 B15R2.18471 C=CCCC1=CC=CC2=CC=CC=C12 MCULE-3726956076 [2,0,0,0,0,0|1,0,0]=3 256 B15R2.18471 C=CCOC1=CC=CC2=CC=CC=C12 MCULE-6744687897 [2,0,0,0,0,0|2,0,0]=4 257 B15R2.18471 CCCCC1=C2C=CC=CC2=CC=C1 MCULE-8903925113 [2,0,0,0,0,0|1,0,1]=4 258 B15R2.18471 CNCCC1=C2C=CC=CC2=CC=C1 MCULE-8882281750 [2,0,0,0,0,0|2,0,0]=4 259 B15R2.18471 NCCCC1=CC=CC2=CC=CC=C12 MCULE-3807911895 [2,0,0,0,0,0|1,0,1]=4 260 B15R2.18471 O=C=NCC1=CC=CC2=CC=CC=C12 MCULE-1513490401 [2,0,0,0,0,0|1,0,1]=4 261 B15R2.18471 O=CCCC1=CC=CC2=CC=CC=C12 MCULE-8812637451 [2,0,0,0,0,0|0,0,0]=2 262 B15R2.18471 OCCCC1=C2C=CC=CC2=CC=C1 MCULE-2248969479 [2,0,0,0,0,0|0,0,1]=3 263 B15R2.18471 OCCOC1=C2C=CC=CC2=CC=C1 MCULE-6036217890 [2,0,0,0,0,0|1,0,1]=4 264 B15R2.68122 C=C(Br)CC1=CC=CC2=C1C=CC=C2 MCULE-3688172649 [2,0,0,0,0,0|1,0,1]=4 265 B15R2.68122 C=C(C)CC1=CC=CC2=C1C=CC=C2 MCULE-2879401230 [2,0,0,0,0,0|1,0,1]=4 266 B15R2.68122 C=C(Cl)CC1=CC=CC2=C1C=CC=C2 MCULE-3200349164 [2,0,0,0,0,0|1,0,1]=4 267 B15R2.68122 CC(=O)CC1=C2C=CC=CC2=CC=C1 MCULE-5258877483 [2,0,0,0,0,0|1,0,1]=4 268 B15R2.68122 CC(O)CC1=CC=CC2=CC=CC=C12 MCULE-8421468807 [2,0,0,0,0,0|1,0,0]=3 269 B15R2.68122 N=C(N)CC1=C2C=CC=CC2=CC=C1 MCULE-1806664518 [2,0,0,0,0,0|1,0,1]=4 270 B15R2.68122 N=C(N)CC1=C2C=CC=CC2=CC=C1 MCULE-8634347388 [2,0,0,0,0,0|1,0,1]=4 271 B15R2.68122 NC(=O)CC1=C2C=CC=CC2=CC=C1 MCULE-1799098717 [2,0,0,0,0,0|0,0,1]=3 272 B15R2.68122 NC(=O)C[N+]1=C2C=CC=CC2=CC=C1 MCULE-6643478783 [2,0,0,0,0,0|1,0,1]=4 273 B15R2.68122 NC(=O)C[N+]1=C2C=CC=CC2=CC=C1 MCULE-7069204350 [2,0,0,0,0,0|1,0,1]=4 274 B15R2.68122 NC(=O)NC1=CC=CC2=CC=CC=C12 MCULE-9293414269 [2,0,0,0,0,0|1,0,1]=4 275 B15R2.68122 NC(=O)OC1=C2C=CC=CC2=CC=C1 MCULE-1320543024 [2,0,0,0,0,0|1,0,1]=4 276 B15R2.68122 NC(=S)CC1=C2C=CC=CC2=CC=C1 MCULE-8406217511 [2,0,0,0,0,0|0,1,1]=4 277 B15R2.68122 O=C(Cl)CC1=CC=CC2=CC=CC=C12 MCULE-7893586354 [2,0,0,0,0,0|1,0,1]=4 278 B15R2.68122 O=C(O)CC1=CC=CC2=CC=CC=C12 MCULE-1244884723 [2,0,0,0,0,0|1,0,1]=4 279 B15R2.68122 O=C([O-])CC1=C2C=CC=CC2=CC=C1 MCULE-1636771408 [2,0,0,0,0,0|1,0,1]=4 280 B15R2.68122 O=C([O-])CC1=CC=CC2=C1C=CC=C2 MCULE-4942585639 [2,0,0,0,0,0|1,0,1]=4 281 B17R1.18072 NC(CC(=O)C1=CC=CC=C1NC=O)C(=O)O MCULE-6643385353 [0,1,1,0,0,0|2,0,0]=4 282 B17R1.18072 N[C@@H](CC(=O)C1=CC=CC=C1NC=O)C(=O)O MCULE-2388086454 [0,1,1,0,0,0|2,0,0]=4 283 B17R1.18072 N[C@@H](CC(=O)C1=CC=CC=C1NC=O)C(=O)O MCULE-8559919012 [0,1,1,0,0,0|2,0,0]=4 284 B17R2.350730 N/C(=N\O)/CC1=C(C=CC2=CC=CC=C12)F MCULE-3389108794 [1,1,0,0,0,0|1,0,1]=4 285 B17R2.3462 O=C(O)CSC1=CC=NC2=CC(=CC=C12)Cl MCULE-8264454380 [1,1,0,0,0,0|2,0,0]=4 286 B17R2.5014 CC1=CC(=C2C=CC=CC2=N1)OCC(=O)O MCULE-2227893173 [1,1,0,0,0,0|2,0,0]=4 287 B17R2.5014 CC1=CC(=C2C=CC=CC2=N1)SCC(=O)O MCULE-4602971568 [1,1,0,0,0,0|2,0,0]=4 288 B17R2.5014 O=C(O)COC1=CC(=O)NC2=C1C=CC=C2 MCULE-2379933238 [1,1,0,0,0,0|2,0,0]=4 289 B17R2.5014 O=C(O)COC1=CC(=O)OC2=C1C=CC=C2 MCULE-7592916903 [1,1,0,0,0,0|2,0,0]=4 290 B17R2.5385 C=C(C)CCC1=C(C=CC2=CC=CC=C12)C MCULE-1789226026 [1,1,0,0,0,0|2,0,0]=4 291 B17R2.5385 O=C(O)CCC1=C(C=CC2=C1C=CC=C2)O MCULE-8772079011 [1,1,0,0,0,0|0,0,0]=2 292 B17R2.19944 CC1=CC=C2C=CC=C(C2=N1)OCC(=O)O MCULE-3648369396 [1,1,0,0,0,0|2,0,0]=4 293 B17R2.19944 O=C(O)COC1=CC=NC2=CC=C(C=C12)F MCULE-5560197923 [1,1,0,0,0,0|2,0,0]=4 294 B17R2.19944 O=C(O)CSC1=CC=NC2=CC=C(C=C12)Cl MCULE-9303325949 [1,1,0,0,0,0|2,0,0]=4 295 B17R2.39629 C=C(C)CCC1=CC=C(C2=C1C=CC=C2)C MCULE-9716745561 [1,1,0,0,0,0|2,0,0]=4 296 B17R2.39629 CC1=C2C=CC=CC2=[N+](C=C1)CCC(=O)O MCULE-2268809727 [1,1,0,0,0,0|1,0,0]=3 297 B17R2.39629 CC1=C2C=CC=CC2=[N+](C=C1)CCC(=O)O MCULE-8006015663 [1,1,0,0,0,0|1,0,0]=3 298 B17R2.39629 CC1=CC=C(C2=C1C=CC=C2)CCC(=O)O MCULE-3283203148 [1,1,0,0,0,0|0,0,0]=2 299 B17R2.39629 O=C(O)CCC1=C2C=CC=CC2=C(C=C1)F MCULE-8590627917 [1,1,0,0,0,0|0,0,0]=2 300 B17R2.39629 O=C(O)CCC1=C2C=CC=NC2=C(C=C1)O MCULE-5642160823 [1,1,0,0,0,0|1,0,0]=3 301 B17R2.39629 O=C(O)CCC1=NNC(=O)C2=CC=CC=C12 MCULE-3427392665 [1,1,0,0,0,0|2,0,0]=4 302 B17R2.39629 O=C(O)CCN1C=CC(=O)C2=CC=CC=C12 MCULE-7767216414 [1,1,0,0,0,0|1,0,0]=3 303 B17R2.39629 O=C(O)CCN1N=CC(=O)C2=C1C=CC=C2 MCULE-3495361579 [1,1,0,0,0,0|2,0,0]=4 304 B17R2.39629 O=C(O)COC1=C2C=CC=CC2=C(C=C1)Br MCULE-7431971671 [1,1,0,0,0,0|1,0,0]=3 305 B17R2.39629 O=C(O)COC1=C2C=CC=CC2=C(C=C1)Cl MCULE-2300200893 [1,1,0,0,0,0|1,0,0]=3 306 B17R2.39629 O=C(O)COC1=C2N=CC=CC2=C(C=C1)Cl MCULE-5402545747 [1,1,0,0,0,0|2,0,0]=4 307 B17R2.39629 O=C(O)CSC1=NC=C(C2=CC=CC=C12)Cl MCULE-3022144936 [1,1,0,0,0,0|2,0,0]=4 308 B17R2.252033 O=C(O)CSC1=C2C(=CC=CC2=CC=C1)Cl MCULE-5185701554 [1,1,0,0,0,0|1,0,0]=3 309 B17R2.353364 CNC(=O)CCC1=CC=CC2=CC=CC=C12 MCULE-1961662557 [1,1,0,0,0,0|1,0,0]=3 310 B17R2.353364 CNC(=O)COC1=C2C=CC=CC2=CC=C1 MCULE-7643418552 [1,1,0,0,0,0|2,0,0]=4 311 B17R2.353364 COC(=O)/C=C\C1=C2C=CC=CC2=CC=C1 MCULE-8109683735 [1,1,0,0,0,0|0,0,2]=4 312 B17R2.353364 COC(=O)C#CC1=CC=CC2=CC=CC=C12 MCULE-3161293197 [1,1,0,0,0,0|0,0,2]=4 313 B17R2.353364 COC(=O)C=CC1=C2C=CC=CC2=CC=C1 MCULE-5813337301 [1,1,0,0,0,0|0,0,2]=4 314 B17R2.353364 COC(=O)CCC1=CC=CC2=C1C=CC=C2 MCULE-1754131025 [1,1,0,0,0,0|0,0,0]=2 315 B17R2.353364 COC(=O)CCC1=CC=CC2=C1C=CN=C2 MCULE-9383953584 [1,1,0,0,0,0|1,0,0]=3 316 B17R2.353364 COC(=O)COC1=C2N=CC=CC2=CC=C1 MCULE-9095124197 [1,1,0,0,0,0|2,0,0]=4 317 B17R2.353364 COC(=O)COC1=CC=CC2=CC=CC=C12 MCULE-2382883763 [1,1,0,0,0,0|1,0,0]=3 318 B17R2.353364 COC(=O)CSC1=CC=CC2=C1N=CC=C2 MCULE-3425774247 [1,1,0,0,0,0|2,0,0]=4 319 B17R2.353364 COC(=O)NCC1=CC=CC2=CC=CC=C12 MCULE-9778019773 [1,1,0,0,0,0|1,0,0]=3 320 B17R2.353364 N/C(=N\O)/COC1=C2C=CC=CC2=CC=C1 MCULE-2426205016 [1,1,0,0,0,0|2,0,0]=4 321 B17R2.353364 N/C(=N\O)/CSC1=C2C=CC=CC2=CC=C1 MCULE-3586384315 [1,1,0,0,0,0|2,0,0]=4 322 B17R2.353364 N/C(=N\O)/CSC1=C2C=CC=CC2=CC=C1 MCULE-9468667269 [1,1,0,0,0,0|2,0,0]=4 323 B17R2.353364 NNC(=O)CNC1=CC=CC2=CC=CC=C12 MCULE-5757969621 [1,1,0,0,0,0|2,0,0]=4 324 B17R2.353364 NNC(=O)COC1=CC=CC2=CC=CC=C12 MCULE-4080837579 [1,1,0,0,0,0|2,0,0]=4 325 B17R2.353364 O=C(CCl)NCC1=C2C=CC=CC2=CC=C1 MCULE-8578324770 [1,1,0,0,0,0|2,0,0]=4 326 B17R2.533832 O=S(=O)(Cl)CCC1=CC=CC2=C1C=CC=C2 MCULE-4804797296 [1,1,0,0,0,0|1,0,1]=4 327 B17R2.712041 C=C(C)C[C@@H](N)C1=CC=CC2=C1C=CC=C2 MCULE-2132630739 [1,1,0,0,0,0|2,0,0]=4 328 B17R2.712041 C=C(C)C[C@@H](N)C1=CC=CC2=C1C=CC=C2 MCULE-7465918233 [1,1,0,0,0,0|2,0,0]=4 329 B17R2.712041 C=C(C)C[C@H](N)C1=CC=CC2=C1C=CC=C2 MCULE-5883020449 [1,1,0,0,0,0|2,0,0]=4 330 B17R2.712041 C=C(C)C[C@H](N)C1=CC=CC2=C1C=CC=C2 MCULE-6996921166 [1,1,0,0,0,0|2,0,0]=4 331 B17R2.712041 NC(CC(=O)O)C1=C2C=CC=CC2=CC=C1 MCULE-3237281384 [1,1,0,0,0,0|0,0,0]=2 332 B17R2.712041 NC(CC(=O)O)C1=CC=CC2=CC=CC=C12 MCULE-2918741223 [1,1,0,0,0,0|0,0,0]=2 333 B17R2.712041 N[C@@H](CC(=O)O)C1=C2C=CC=CC2=CC=C1 MCULE-8424605918 [1,1,0,0,0,0|0,0,0]=2 334 B17R2.712041 N[C@@H](CC(=O)O)C1=CC=CC2=CC=CC=C12 MCULE-7981765145 [1,1,0,0,0,0|0,0,0]=2 335 B17R2.712041 N[C@H](CC(=O)O)C1=C2C=CC=CC2=CC=C1 MCULE-1081777319 [1,1,0,0,0,0|0,0,0]=2 336 B17R2.712041 N[C@H](CC(=O)O)C1=C2C=CC=CC2=CC=C1 MCULE-5466395640 [1,1,0,0,0,0|0,0,0]=2 337 B17R2.712041 N[C@H](CC(=O)O)C1=CC=CC2=C1C=CC=C2 MCULE-6216975558 [1,1,0,0,0,0|0,0,0]=2 338 B17R2.712041 N[C@H](CC(=O)O)C1=CC=CC2=CC=CC=C12 MCULE-7823074257 [1,1,0,0,0,0|0,0,0]=2 339 B17R2.712041 O=C(O)CS(=O)C1=C2N=CC=CC2=CC=C1 MCULE-5802959254 [1,1,0,0,0,0|2,0,0]=4 340 B17R2.7 CNC(=O)C(N)CC1=CNC2=C1C=CC=C2 MCULE-4418170102 [0,1,0,0,1,0|2,0,0]=4 341 B17R2.7 CNC(=O)[C@@H](N)CC1=CNC2=C1C=CC=C2 MCULE-8806874695 [0,1,0,0,1,0|2,0,0]=4 342 B17R2.7 CNC(=O)[C@H](N)CC1=CNC2=CC=CC=C12 MCULE-2035601601 [0,1,0,0,1,0|2,0,0]=4 343 B17R2.7 CNC(=O)[C@H](N)CC1=CNC2=CC=CC=C12 MCULE-6400798643 [0,1,0,0,1,0|2,0,0]=4 344 B17R2.7 COC(=O)C(C)CC1=CNC2=CC=CC=C12 MCULE-1180328243 [0,1,0,0,1,0|2,0,0]=4 345 B17R2.7 COC(=O)C(C)CC1=CNC2=CC=CC=C12 MCULE-7472928093 [0,1,0,0,1,0|2,0,0]=4 346 B17R2.7 COC(=O)C(N)CC1=CNC2=C1C=CC=C2 MCULE-1375533696 [0,1,0,0,1,0|1,0,0]=3 347 B17R2.7 COC(=O)C(N)CC1=CNC2=C1C=CC=C2 MCULE-4257766936 [0,1,0,0,1,0|1,0,0]=3 348 B17R2.7 COC(=O)C(N)CC1=CNC2=C1C=CC=C2 MCULE-6127245906 [0,1,0,0,1,0|1,0,0]=3 349 B17R2.7 COC(=O)C(N)CC1=CNC2=C1C=CC=C2 MCULE-6598811236 [0,1,0,0,1,0|1,0,0]=3 350 B17R2.7 COC(=O)C(N)CC1=CNC2=NC=CC=C12 MCULE-9983960597 [0,1,0,0,1,0|2,0,0]=4 351 B17R2.7 COC(=O)[C@@H](N)CC1=CNC2=C1C=CC=C2 MCULE-3606983263 [0,1,0,0,1,0|1,0,0]=3 352 B17R2.7 COC(=O)[C@@H](N)CC1=CNC2=C1C=CC=C2 MCULE-4257219539 [0,1,0,0,1,0|1,0,0]=3 353 B17R2.7 COC(=O)[C@@H](N)CC1=CNC2=C1C=CC=C2 MCULE-5014804775 [0,1,0,0,1,0|1,0,0]=3 354 B17R2.7 COC(=O)[C@@H](N)CC1=CNC2=C1C=CC=C2 MCULE-9077719590 [0,1,0,0,1,0|1,0,0]=3 355 B17R2.7 COC(=O)[C@H](N)CC1=CNC2=C1C=CC=C2 MCULE-7078756778 [0,1,0,0,1,0|1,0,0]=3 356 B17R2.7 COC(=O)[C@H](N)CC1=CNC2=C1C=CC=C2 MCULE-8527952510 [0,1,0,0,1,0|1,0,0]=3 357 B17R2.7 COC(=O)[C@H](N)CC1=CNC2=CC=CC=C12 MCULE-7129192240 [0,1,0,0,1,0|1,0,0]=3 358 B17R2.7 COC(=O)[C@H](N)CC1=CNC2=CC=CC=C12 MCULE-9568756958 [0,1,0,0,1,0|1,0,0]=3 359 B17R2.138 CC(N)(CC1=CNC2=C1C=CC=C2)C(=O)O MCULE-1093341027 [0,1,0,0,1,0|1,0,0]=3 360 B17R2.138 CC(N)(CC1=CSC2=CC=CC=C12)C(=O)O MCULE-2962241833 [0,1,0,0,1,0|1,0,0]=3 361 B17R2.138 C[C@@](N)(CC1=CNC2=C1C=CC=C2)C(=O)O MCULE-5227549219 [0,1,0,0,1,0|1,0,0]=3 362 B17R2.138 C[C@](N)(CC1=CNC2=CC=CC=C12)C(=O)O MCULE-1032417051 [0,1,0,0,1,0|1,0,0]=3 363 B17R2.138 C[C@](N)(CC1=CNC2=CC=CC=C12)C(=O)O MCULE-9776911359 [0,1,0,0,1,0|1,0,0]=3 364 B17R2.289 CNC(CC1=CNC2=C1C=CC=C2)C(=O)O MCULE-7141702170 [0,1,0,0,1,0|1,0,0]=3 365 B17R2.289 CN[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)O MCULE-8843389672 [0,1,0,0,1,0|1,0,0]=3 366 B17R2.289 CN[C@@H](CC1=CNC2=CC=CC=C12)C(=O)O MCULE-5394077858 [0,1,0,0,1,0|1,0,0]=3 367 B17R2.3450 CC1=CC2=C(C=C1)C(=CN2)CC(N)C(=O)O MCULE-9937852409 [0,1,0,0,1,0|1,0,0]=3 368 B17R2.3450 CC1=CC2=C(C=C1)C(=CN2)C[C@H](N)C(=O)O MCULE-1824211633 [0,1,0,0,1,0|1,0,0]=3 369 B17R2.3450 CC1=CC=C2C(=CNC2=C1)C[C@H](N)C(=O)O MCULE-4659596714 [0,1,0,0,1,0|1,0,0]=3 370 B17R2.3450 NC(CC1=CNC2=C1C=CC(=C2)Br)C(=O)O MCULE-6605711747 [0,1,0,0,1,0|1,0,0]=3 371 B17R2.3450 NC(CC1=CNC2=C1C=CC(=C2)Cl)C(=O)O MCULE-2906491763 [0,1,0,0,1,0|1,0,0]=3 372 B17R2.3450 NC(CC1=CNC2=C1C=CC(=C2)F)C(=O)O MCULE-1286010028 [0,1,0,0,1,0|1,0,0]=3 373 B17R2.3450 NC(CC1=CNC2=C1C=CC(=C2)O)C(=O)O MCULE-8867932631 [0,1,0,0,1,0|1,0,0]=3 374 B17R2.3450 N[C@@H](CC1=CNC2=C1C=CC(=C2)Br)C(=O)O MCULE-1940415794 [0,1,0,0,1,0|1,0,0]=3 375 B17R2.3450 N[C@@H](CC1=CNC2=C1C=CC(=C2)Br)C(=O)O MCULE-7527258915 [0,1,0,0,1,0|1,0,0]=3 376 B17R2.3450 N[C@@H](CC1=CNC2=C1C=CC(=C2)Cl)C(=O)O MCULE-4976314095 [0,1,0,0,1,0|1,0,0]=3 377 B17R2.3450 N[C@@H](CC1=CNC2=C1C=CC(=C2)Cl)C(=O)O MCULE-7358605304 [0,1,0,0,1,0|1,0,0]=3 378 B17R2.3450 N[C@@H](CC1=CNC2=C1C=CC(=C2)F)C(=O)O MCULE-6992128303 [0,1,0,0,1,0|1,0,0]=3 379 B17R2.3450 N[C@@H](CC1=CNC2=C1C=CC(=C2)F)C(=O)O MCULE-7013255700 [0,1,0,0,1,0|1,0,0]=3 380 B17R2.3450 N[C@@H](CC1=CNC2=C1C=CC(=C2)O)C(=O)O MCULE-5715446634 [0,1,0,0,1,0|1,0,0]=3 381 B17R2.3450 N[C@@H](CC1=CNC2=CC(=CC=C12)O)C(=O)O MCULE-8633803305 [0,1,0,0,1,0|1,0,0]=3 382 B17R2.3450 N[C@H](CC1=CNC2=C1C=CC(=C2)Br)C(=O)O MCULE-3985180412 [0,1,0,0,1,0|1,0,0]=3 383 B17R2.3450 N[C@H](CC1=CNC2=C1C=CC(=C2)Br)C(=O)O MCULE-5384453816 [0,1,0,0,1,0|1,0,0]=3 384 B17R2.3450 N[C@H](CC1=CNC2=C1C=CC(=C2)Cl)C(=O)O MCULE-5639441116 [0,1,0,0,1,0|1,0,0]=3 385 B17R2.3450 N[C@H](CC1=CNC2=C1C=CC(=C2)F)C(=O)O MCULE-3546576587 [0,1,0,0,1,0|1,0,0]=3 386 B17R2.3450 N[C@H](CC1=CNC2=CC(=CC=C12)Cl)C(=O)O MCULE-1070734277 [0,1,0,0,1,0|1,0,0]=3 387 B17R2.5003 CC1=C(C2=C(N1)C=CC=C2)CC(N)C(=O)O MCULE-2857724640 [0,1,0,0,1,0|1,0,0]=3 388 B17R2.5003 CC1=C(C2=C(N1)C=CC=C2)C[C@@H](N)C(=O)O MCULE-2355294933 [0,1,0,0,1,0|1,0,0]=3 389 B17R2.5003 CC1=C(C2=C(N1)C=CC=C2)C[C@@H](N)C(=O)O MCULE-2985230411 [0,1,0,0,1,0|1,0,0]=3 390 B17R2.5003 CC1=C(C2=C(N1)C=CC=C2)C[C@H](N)C(=O)O MCULE-1639302413 [0,1,0,0,1,0|1,0,0]=3 391 B17R2.5003 CC1=C(C2=C(N1)C=CC=C2)C[C@H](N)C(=O)O MCULE-6032761384 [0,1,0,0,1,0|1,0,0]=3 392 B17R2.5003 NC(CC1C(=O)NC2=C1C=CC=C2)C(=O)O MCULE-9798850281 [0,1,0,0,1,0|1,0,1]=4 393 B17R2.5003 NC1=C(C2=C(N1)C=CC=C2)C[C@@H](N)C(=O)O MCULE-1995184018 [0,1,0,0,1,0|1,0,0]=3 394 B17R2.5003 N[C@@H](CC1=C(NC2=CC=CC=C12)O)C(=O)O MCULE-1906654680 [0,1,0,0,1,0|1,0,0]=3 395 B17R2.5003 N[C@H](CC1=C(NC2=C1C=CC=C2)O)C(=O)O MCULE-8342568055 [0,1,0,0,1,0|1,0,0]=3 396 B17R2.25461 CC(CC1=CNC2=C1C=C(C=C2)F)C(=O)O MCULE-3634656065 [0,1,0,0,1,0|2,0,0]=4 397 B17R2.25461 CC1=CC=C2NC=C(C2=C1)CC(N)C(=O)O MCULE-2443598072 [0,1,0,0,1,0|1,0,0]=3 398 B17R2.25461 CC1=CC=C2NC=C(C2=C1)C[C@@H](N)C(=O)O MCULE-7738289225 [0,1,0,0,1,0|1,0,0]=3 399 B17R2.25461 CC1=CC=C2NC=C(C2=C1)C[C@@H](N)C(=O)O MCULE-9418864808 [0,1,0,0,1,0|1,0,0]=3 400 B17R2.25461 CC1=CC=C2NC=C(C2=C1)C[C@H](N)C(=O)O MCULE-1225448414 [0,1,0,0,1,0|1,0,0]=3 401 B17R2.25461 CC1=CC=C2NC=C(C2=C1)C[C@H](N)C(=O)O MCULE-2949078767 [0,1,0,0,1,0|1,0,0]=3 402 B17R2.25461 C[C@@H](CC1=CNC2=C1C=C(C=C2)F)C(=O)O MCULE-1715365498 [0,1,0,0,1,0|2,0,0]=4 403 B17R2.25461 C[C@H](CC1=CNC2=C1C=C(C=C2)F)C(=O)O MCULE-5693385009 [0,1,0,0,1,0|2,0,0]=4 404 B17R2.25461 NC(CC1=CNC2=C1C=C(C=C2)Br)C(=O)O MCULE-5918144303 [0,1,0,0,1,0|1,0,0]=3 405 B17R2.25461 NC(CC1=CNC2=C1C=C(C=C2)Cl)C(=O)O MCULE-3783698618 [0,1,0,0,1,0|1,0,0]=3 406 B17R2.25461 NC(CC1=CNC2=C1C=C(C=C2)Cl)C(=O)O MCULE-9875335869 [0,1,0,0,1,0|1,0,0]=3 407 B17R2.25461 NC(CC1=CNC2=C1C=C(C=C2)F)C(=O)O MCULE-6908956290 [0,1,0,0,1,0|1,0,0]=3 408 B17R2.25461 NC(CC1=CNC2=C1C=C(C=C2)F)C(=O)O MCULE-7475889550 [0,1,0,0,1,0|1,0,0]=3 409 B17R2.25461 NC(CC1=CNC2=C1C=C(C=C2)I)C(=O)O MCULE-9649598054 [0,1,0,0,1,0|1,0,0]=3 410 B17R2.25461 NC(CC1=CNC2=CC=C(C=C12)O)C(=O)O MCULE-6968549091 [0,1,0,0,1,0|1,0,0]=3 411 B17R2.25461 NC1=CC=C2NC=C(C2=C1)CC(N)C(=O)O MCULE-9494452708 [0,1,0,0,1,0|1,0,0]=3 412 B17R2.25461 N[C@@H](CC1=CNC2=C1C=C(C=C2)Br)C(=O)O MCULE-3333270561 [0,1,0,0,1,0|1,0,0]=3 413 B17R2.25461 N[C@@H](CC1=CNC2=C1C=C(C=C2)Br)C(=O)O MCULE-4194224675 [0,1,0,0,1,0|1,0,0]=3 414 B17R2.25461 N[C@@H](CC1=CNC2=C1C=C(C=C2)Cl)C(=O)O MCULE-5060457989 [0,1,0,0,1,0|1,0,0]=3 415 B17R2.25461 N[C@@H](CC1=CNC2=C1C=C(C=C2)Cl)C(=O)O MCULE-9786648522 [0,1,0,0,1,0|1,0,0]=3 416 B17R2.25461 N[C@@H](CC1=CNC2=C1C=C(C=C2)F)C(=O)O MCULE-5561117420 [0,1,0,0,1,0|1,0,0]=3 417 B17R2.25461 N[C@@H](CC1=CNC2=C1C=C(C=C2)F)C(=O)O MCULE-8287323983 [0,1,0,0,1,0|1,0,0]=3 418 B17R2.25461 N[C@@H](CC1=CNC2=CC=C(C=C12)O)C(=O)O MCULE-1328548007 [0,1,0,0,1,0|1,0,0]=3 419 B17R2.25461 N[C@H](CC1=CNC2=C1C=C(C=C2)Br)C(=O)O MCULE-3967393456 [0,1,0,0,1,0|1,0,0]=3 420 B17R2.25461 N[C@H](CC1=CNC2=C1C=C(C=C2)Br)C(=O)O MCULE-4635672735 [0,1,0,0,1,0|1,0,0]=3 421 B17R2.25461 N[C@H](CC1=CNC2=C1C=C(C=C2)F)C(=O)O MCULE-1588677250 [0,1,0,0,1,0|1,0,0]=3 422 B17R2.25461 N[C@H](CC1=CNC2=C1C=C(C=C2)F)C(=O)O MCULE-4149427296 [0,1,0,0,1,0|1,0,0]=3 423 B17R2.25461 N[C@H](CC1=CNC2=C1C=C(C=C2)O)C(=O)O MCULE-2691432843 [0,1,0,0,1,0|1,0,0]=3 424 B17R2.25461 N[C@H](CC1=CNC2=CC=C(C=C12)Cl)C(=O)O MCULE-3362841625 [0,1,0,0,1,0|1,0,0]=3 425 B17R2.25461 N[C@H](CC1=CNC2=CC=C(C=C12)Cl)C(=O)O MCULE-8672178602 [0,1,0,0,1,0|1,0,0]=3 426 B17R2.25461 [C@H](N)(CC1=CNC2=CC=C(C=C12)O)C(=O)O MCULE-7974218863 [0,1,0,0,1,0|1,0,0]=3 427 B17R2.37147 CC1=CC=CC2=C1NC=C2CC(N)C(=O)O MCULE-3164724457 [0,1,0,0,1,0|1,0,0]=3 428 B17R2.37147 CC1=CC=CC2=C1NC=C2CC(N)C(=O)O MCULE-3535314200 [0,1,0,0,1,0|1,0,0]=3 429 B17R2.37147 CC1=CC=CC2=C1NC=C2C[C@@H](N)C(=O)O MCULE-2917178207 [0,1,0,0,1,0|1,0,0]=3 430 B17R2.37147 CC1=CC=CC2=C1NC=C2C[C@H](N)C(=O)O MCULE-2282796001 [0,1,0,0,1,0|1,0,0]=3 431 B17R2.37147 CC1=CC=CC2=C1NC=C2C[C@H](N)C(=O)O MCULE-7459867675 [0,1,0,0,1,0|1,0,0]=3 432 B17R2.37147 NC(CC1=CNC2=C(C=CC=C12)Cl)C(=O)O MCULE-6596607370 [0,1,0,0,1,0|1,0,0]=3 433 B17R2.37147 NC(CC1=CNC2=C(C=CC=C12)F)C(=O)O MCULE-4785714748 [0,1,0,0,1,0|1,0,0]=3 434 B17R2.37147 NC(CC1=CNC2=C(C=CC=C12)F)C(=O)O MCULE-7551772366 [0,1,0,0,1,0|1,0,0]=3 435 B17R2.37147 NC(CC1=CNC2=C1C=CC=C2Br)C(=O)O MCULE-2444975774 [0,1,0,0,1,0|1,0,0]=3 436 B17R2.37147 NC(CC1=CNC2=C1C=CC=C2Cl)C(=O)O MCULE-1850008985 [0,1,0,0,1,0|1,0,0]=3 437 B17R2.37147 NC(CC1=CNC2=C1C=CC=C2Cl)C(=O)O MCULE-4657811205 [0,1,0,0,1,0|1,0,0]=3 438 B17R2.37147 NC(CC1=CNC2=C1C=CC=C2O)C(=O)O MCULE-3480630187 [0,1,0,0,1,0|1,0,0]=3 439 B17R2.37147 N[C@@H](CC1=CNC2=C(C=CC=C12)Cl)C(=O)O MCULE-2706903351 [0,1,0,0,1,0|1,0,0]=3 440 B17R2.37147 N[C@@H](CC1=CNC2=C(C=CC=C12)Cl)C(=O)O MCULE-6965964776 [0,1,0,0,1,0|1,0,0]=3 441 B17R2.37147 N[C@@H](CC1=CNC2=C(C=CC=C12)F)C(=O)O MCULE-3378344305 [0,1,0,0,1,0|1,0,0]=3 442 B17R2.37147 N[C@@H](CC1=CNC2=C1C=CC=C2Br)C(=O)O MCULE-3743607795 [0,1,0,0,1,0|1,0,0]=3 443 B17R2.37147 N[C@@H](CC1=CNC2=C1C=CC=C2Br)C(=O)O MCULE-9761111560 [0,1,0,0,1,0|1,0,0]=3 444 B17R2.37147 N[C@@H](CC1=CNC2=C1C=CC=C2F)C(=O)O MCULE-1137381744 [0,1,0,0,1,0|1,0,0]=3 445 B17R2.37147 N[C@H](CC1=CNC2=C(C=CC=C12)Cl)C(=O)O MCULE-3304468746 [0,1,0,0,1,0|1,0,0]=3 446 B17R2.37147 N[C@H](CC1=CNC2=C(C=CC=C12)Cl)C(=O)O MCULE-6816615537 [0,1,0,0,1,0|1,0,0]=3 447 B17R2.37147 N[C@H](CC1=CNC2=C(C=CC=C12)F)C(=O)O MCULE-1537250123 [0,1,0,0,1,0|1,0,0]=3 448 B17R2.37147 N[C@H](CC1=CNC2=C1C=CC=C2Br)C(=O)O MCULE-3664115172 [0,1,0,0,1,0|1,0,0]=3 449 B17R2.37552 CC1=C2C(=CNC2=CC=C1)CC(N)C(=O)O MCULE-3450403426 [0,1,0,0,1,0|1,0,0]=3 450 B17R2.37552 CC1=CC=CC2=C1C(=CN2)CC(N)C(=O)O MCULE-7669211774 [0,1,0,0,1,0|1,0,0]=3 451 B17R2.37552 CC1=CC=CC2=C1C(=CN2)C[C@@H](N)C(=O)O MCULE-9183830250 [0,1,0,0,1,0|1,0,0]=3 452 B17R2.37552 CC1=CC=CC2=C1C(=CN2)C[C@@H](N)C(=O)O MCULE-9713571719 [0,1,0,0,1,0|1,0,0]=3 453 B17R2.37552 CC1=CC=CC2=C1C(=CN2)C[C@H](N)C(=O)O MCULE-7572211598 [0,1,0,0,1,0|1,0,0]=3 454 B17R2.37552 CC1=CC=CC2=C1C(=CN2)C[C@H](N)C(=O)O MCULE-8809191037 [0,1,0,0,1,0|1,0,0]=3 455 B17R2.37552 NC(CC1=CNC2=C1C(=CC=C2)Br)C(=O)O MCULE-3710888909 [0,1,0,0,1,0|1,0,0]=3 456 B17R2.37552 NC(CC1=CNC2=C1C(=CC=C2)F)C(=O)O MCULE-5876038008 [0,1,0,0,1,0|1,0,0]=3 457 B17R2.37552 NC(CC1=CNC2=C1C(=CC=C2)O)C(=O)O MCULE-8052472538 [0,1,0,0,1,0|1,0,0]=3 458 B17R2.37552 NC(CC1=CNC2=CC=CC(=C12)Cl)C(=O)O MCULE-8458955793 [0,1,0,0,1,0|1,0,0]=3 459 B17R2.37552 N[C@@H](CC1=CNC2=C1C(=CC=C2)Br)C(=O)O MCULE-6419206552 [0,1,0,0,1,0|1,0,0]=3 460 B17R2.37552 N[C@@H](CC1=CNC2=C1C(=CC=C2)Br)C(=O)O MCULE-8687655498 [0,1,0,0,1,0|1,0,0]=3 461 B17R2.37552 N[C@@H](CC1=CNC2=C1C(=CC=C2)Cl)C(=O)O MCULE-5535555262 [0,1,0,0,1,0|1,0,0]=3 462 B17R2.37552 N[C@@H](CC1=CNC2=C1C(=CC=C2)Cl)C(=O)O MCULE-7896753105 [0,1,0,0,1,0|1,0,0]=3 463 B17R2.37552 N[C@@H](CC1=CNC2=C1C(=CC=C2)F)C(=O)O MCULE-2776991776 [0,1,0,0,1,0|1,0,0]=3 464 B17R2.37552 N[C@@H](CC1=CNC2=C1C(=CC=C2)F)C(=O)O MCULE-4848944007 [0,1,0,0,1,0|1,0,0]=3 465 B17R2.37552 N[C@@H](CC1=CNC2=C1C(=CC=C2)O)C(=O)O MCULE-3901457897 [0,1,0,0,1,0|1,0,0]=3 466 B17R2.37552 N[C@@H](CC1=CNC2=C1C(=CC=C2)O)C(=O)O MCULE-7147285849 [0,1,0,0,1,0|1,0,0]=3 467 B17R2.37552 N[C@H](CC1=CNC2=C1C(=CC=C2)Br)C(=O)O MCULE-3435001533 [0,1,0,0,1,0|1,0,0]=3 468 B17R2.37552 N[C@H](CC1=CNC2=C1C(=CC=C2)Br)C(=O)O MCULE-5473935751 [0,1,0,0,1,0|1,0,0]=3 469 B17R2.37552 N[C@H](CC1=CNC2=C1C(=CC=C2)Cl)C(=O)O MCULE-9400287128 [0,1,0,0,1,0|1,0,0]=3 470 B17R2.37552 N[C@H](CC1=CNC2=C1C(=CC=C2)F)C(=O)O MCULE-1602631164 [0,1,0,0,1,0|1,0,0]=3 471 B17R2.37552 N[C@H](CC1=CNC2=C1C(=CC=C2)F)C(=O)O MCULE-5300561098 [0,1,0,0,1,0|1,0,0]=3 472 B17R2.37552 N[C@H](CC1=CNC2=CC=CC(=C12)Cl)C(=O)O MCULE-5221063985 [0,1,0,0,1,0|1,0,0]=3 473 B17R2.45515 CC(C1=CNC2=C1C=CC=C2)C(O)C(=O)O MCULE-6640012615 [0,1,0,0,1,0|2,0,0]=4 474 B17R2.78536 C(N)(CC1=CN(C2=C1C=CC=C2)C)C(=O)O MCULE-1625887826 [0,1,0,0,1,0|1,0,0]=3 475 B17R2.78536 CN1C=C(C2=C1C=CC=C2)C[C@@H](N)C(=O)O MCULE-1710860862 [0,1,0,0,1,0|1,0,0]=3 476 B17R2.78536 CN1C=C(C2=C1C=CC=C2)C[C@H](N)C(=O)O MCULE-4599117696 [0,1,0,0,1,0|1,0,0]=3 477 B17R2.78536 CN1C=C(C2=C1C=CC=C2)C[C@H](N)C(=O)O MCULE-6954327922 [0,1,0,0,1,0|1,0,0]=3 478 B17R2.78536 [C@@H](N)(CC1=CN(C2=C1C=CC=C2)C)C(=O)O MCULE-5120236173 [0,1,0,0,1,0|1,0,0]=3 479 B17R2.6888 COC(=O)C(N)CC1=CC=CC2=C1C=CN2 MCULE-1142679325 [0,1,0,0,1,0|1,0,0]=3 480 B17R2.6888 COC(=O)C(N)CC1=CC=CC2=C1C=CN2 MCULE-7990830013 [0,1,0,0,1,0|1,0,0]=3 481 B17R2.6888 COC(=O)[C@@H](N)CC1=C2C=CNC2=CC=C1 MCULE-1642109921 [0,1,0,0,1,0|1,0,0]=3 482 B17R2.6888 COC(=O)[C@H](N)CC1=C2C=CNC2=CC=C1 MCULE-5537605563 [0,1,0,0,1,0|1,0,0]=3 483 B17R2.5384 C[C@@H](O)[C@@H](N)C1=C(C=CC2=C1C=CC=C2)O MCULE-4190410188 [0,1,0,0,1,0|1,0,1]=4 484 B17R2.5384 C[C@@H](O)[C@@H](N)C1=C(C=CC2=C1C=CC=C2)O MCULE-4510714214 [0,1,0,0,1,0|1,0,1]=4 485 B17R2.5384 C[C@H](O)[C@H](N)C1=C(C=CC2=C1C=CC=C2)O MCULE-8686669807 [0,1,0,0,1,0|1,0,1]=4 486 B17R2.5384 C[C@H](O)[C@H](N)C1=C(C=CC2=C1C=CC=C2)O MCULE-8930965973 [0,1,0,0,1,0|1,0,1]=4 487 B17R2.5384 O=C(O)C(O)C1=C(C=CC2=CC=CC=C12)O MCULE-5925816945 [0,1,0,0,1,0|1,0,0]=3 488 B17R2.99719 NCC(C(=O)O)C1=CC=CC2=C1C=CC=C2 MCULE-1551882964 [0,1,0,0,1,0|0,0,0]=2 489 B17R2.99719 NCC(C(=O)O)C1=CC=CC2=C1C=CC=C2 MCULE-4298376600 [0,1,0,0,1,0|0,0,0]=2 490 B17R2.264406 CC(C(=O)O)C1=CC=C(C2=C1C=CC=C2)F MCULE-9320417017 [0,1,0,0,1,0|1,0,0]=3 491 B17R2.264406 [C@@H](N)(C1=C2C=CC=CC2=C(C=C1)O)[C@H](C)O MCULE-1886363951 [0,1,0,0,1,0|1,0,1]=4 492 B17R2.264406 [C@@H](N)(C1=C2C=CC=CC2=C(C=C1)O)[C@H](C)O MCULE-7485570392 [0,1,0,0,1,0|1,0,1]=4 493 B17R2.264406 [C@@H](N)(C1=CC=C(C2=C1C=CC=C2)C)[C@H](C)O MCULE-4185257732 [0,1,0,0,1,0|1,0,1]=4 494 B17R2.264406 [C@@H](N)(C1=CC=C(C2=C1C=CC=C2)C)[C@H](C)O MCULE-4225983925 [0,1,0,0,1,0|1,0,1]=4 495 B17R2.264406 [C@H](N)(C1=C2C=CC=CC2=C(C=C1)O)[C@@H](C)O MCULE-3766202488 [0,1,0,0,1,0|1,0,1]=4 496 B17R2.264406 [C@H](N)(C1=C2C=CC=CC2=C(C=C1)O)[C@@H](C)O MCULE-5704007156 [0,1,0,0,1,0|1,0,1]=4 497 B17R2.264406 [C@H](N)(C1=CC=C(C2=C1C=CC=C2)C)[C@@H](C)O MCULE-1169374403 [0,1,0,0,1,0|1,0,1]=4 498 B17R2.264406 [C@H](N)(C1=CC=C(C2=C1C=CC=C2)C)[C@@H](C)O MCULE-3350302242 [0,1,0,0,1,0|1,0,1]=4 499 B17R2.954612 CC(C)(C(=O)O)C1=C2C=CC=CC2=CC=C1 MCULE-9672682062 [0,1,0,0,1,0|1,0,0]=3 500 B17R2.954612 O=C(O)C(F)(F)C1=C2C=CC=CC2=CC=C1 MCULE-1161767935 [0,1,0,0,1,0|1,0,0]=3 501 B17R2.954612 O=C(O)C(F)(F)C1=C2N=CC=CC2=CC=C1 MCULE-1128501988 [0,1,0,0,1,0|2,0,0]=4 502 B19R2.94809 CC1=NC2=C(C=CC=C2)C(=C1)SCC(N)C(=O)O MCULE-5376304043 [0,1,0,0,0,1|1,0,0]=3 503 B19R2.4485174 CC(C(=O)O)N(C)CC1=C2C=CN=CC2=CC=C1 MCULE-7191135491 [0,1,0,0,0,1|2,0,0]=4 504 B19R2.6041306 CC(NC(=O)C1=CC=CC2=CC=CC=C12)C(=O)O MCULE-7481674313 [0,1,0,0,0,1|1,0,1]=4 505 B19R2.897265 NC(CC1=CC(=O)NC2=C1C=C(C=C2)F)C(=O)O MCULE-9306301112 [0,2,0,0,0,0|1,0,0]=3 506 B19R2.1084 COC1=C(C2=C(C=CC=C2)C=C1)CC(C)C(=O)O MCULE-1368008291 [0,2,0,0,0,0|1,0,0]=3 507 B19R2.1724139 COC(=O)[C@@H](N)CC1=C(C=CC2=C1C=CC=C2)O MCULE-7595000554 [0,2,0,0,0,0|0,0,0]=2 508 B19R2.1724139 COC(=O)[C@@H](N)CC1=C2C=CC=CC2=CC=C1C MCULE-6165754551 [0,2,0,0,0,0|0,0,0]=2 509 B19R2.1724139 COC(=O)[C@H](N)CC1=C(C=CC2=C1C=CC=C2)O MCULE-7046214097 [0,2,0,0,0,0|0,0,0]=2 510 B19R2.1724139 COC(=O)[C@H](N)CC1=C2C=CC=CC2=CC=C1C MCULE-4658265076 [0,2,0,0,0,0|0,0,0]=2 511 B19R2.470430 COC(=O)[C@@H](N)CC1=C2C=CC=CC2=C(C=C1)C MCULE-5324263221 [0,2,0,0,0,0|0,0,0]=2 512 B19R2.470430 COC(=O)[C@@H](N)CC1=CC=C(C2=CC=CC=C12)F MCULE-9571114316 [0,2,0,0,0,0|0,0,0]=2 513 B19R2.470430 COC(=O)[C@H](N)CC1=C2C=CC=CC2=C(C=C1)C MCULE-7296379919 [0,2,0,0,0,0|0,0,0]=2 514 B19R2.470430 COC(=O)[C@H](N)CC1=CC=C(C2=CC=CC=C12)F MCULE-8592185368 [0,2,0,0,0,0|0,0,0]=2 515 B19R2.3470687 CCOC(=O)C(C)NC1=CC=CC2=CC=CC=C12 MCULE-5327951179 [0,2,0,0,0,0|2,0,0]=4 516 B19R2.3470687 CCOC(=O)C(Cl)CC1=CC=CC2=CC=CC=C12 MCULE-7942434924 [0,2,0,0,0,0|1,0,0]=3 517 B19R2.3470687 CCOC(=O)C(N)CC1=C2C=CC=CC2=CC=C1 MCULE-7888678306 [0,2,0,0,0,0|0,0,0]=2 518 B19R2.7042453 COC(=O)C(CN)CC1=C2C=CC=CC2=CC=C1 MCULE-6213425011 [0,2,0,0,0,0|0,0,0]=2 519 B19R2.7042453 COC(=O)C(CN)CC1=C2C=CC=CC2=CC=C1 MCULE-9957232046 [0,2,0,0,0,0|0,0,0]=2 520 B19R2.6097204 O=C(O)C(CC1=CC=CC2=C1C=CC=C2)C(=O)O MCULE-6121601232 [0,2,0,0,0,0|1,0,0]=3 521 B17R2.9167 CC(CC1=CC=C2C=CC=CC2=N1)C(=O)O MCULE-2645994732 [0,0,1,1,0,0|2,0,0]=4 522 B17R2.9167 CC(OC1=CC=C2C=CC=CC2=C1)C(=O)O MCULE-4185766300 [0,0,1,1,0,0|2,0,0]=4 523 B17R2.9167 C[C@H](OC1=CC2=C(C=CC=C2)C=C1)C(=O)O MCULE-1408013718 [0,0,1,1,0,0|2,0,0]=4 524 B17R2.9167 NC(=O)[C@@H](N)CC1=CC=C2C=CC=CC2=C1 MCULE-2074984558 [0,0,1,1,0,0|1,0,0]=3 525 B17R2.9167 NC(CC1=CC2=CC=CC=C2C=C1)C(=O)O MCULE-6952461288 [0,0,1,1,0,0|0,0,0]=2 526 B17R2.9167 NC(CC1=CC2=CC=CC=C2C=C1)C(=O)O MCULE-9711104731 [0,0,1,1,0,0|0,0,0]=2 527 B17R2.9167 NC(CC1=CC=C2C=CC=CC2=C1)C(=O)O MCULE-6903330528 [0,0,1,1,0,0|0,0,0]=2 528 B17R2.9167 NC(CC1=CC=C2C=CC=CC2=C1)C(=O)O MCULE-7107565830 [0,0,1,1,0,0|0,0,0]=2 529 B17R2.9167 NC(CC1=CC=C2C=CC=CC2=N1)C(=O)O MCULE-8062406666 [0,0,1,1,0,0|1,0,0]=3 530 B17R2.9167 N[C@@H](CC1=CC2=C(C=CC=C2)C=C1)C(=O)O MCULE-4097504210 [0,0,1,1,0,0|0,0,0]=2 531 B17R2.9167 N[C@@H](CC1=CC2=C(C=CC=C2)C=C1)C(=O)O MCULE-5929822596 [0,0,1,1,0,0|0,0,0]=2 532 B17R2.9167 N[C@@H](CC1=CC=C2C=CC=CC2=C1)C(=O)O MCULE-6838251171 [0,0,1,1,0,0|0,0,0]=2 533 B17R2.9167 N[C@@H](CC1=CC=C2C=CC=CC2=C1)C(=O)O MCULE-7044608619 [0,0,1,1,0,0|0,0,0]=2 534 B17R2.9167 N[C@@H](CC1=NC2=C(C=CC=C2)C=C1)C(=O)O MCULE-3308554372 [0,0,1,1,0,0|1,0,0]=3 535 B17R2.9167 N[C@@H](CC1=NC2=C(C=CC=C2)C=C1)C(=O)O MCULE-5015802007 [0,0,1,1,0,0|1,0,0]=3 536 B17R2.9167 N[C@@H](CC1=NC2=C(C=CC=C2)C=C1)C(=O)O MCULE-7964984777 [0,0,1,1,0,0|1,0,0]=3 537 B17R2.9167 N[C@@H](CC1=NC2=C(C=CC=C2)C=C1)C(=O)O MCULE-9822109349 [0,0,1,1,0,0|1,0,0]=3 538 B17R2.9167 N[C@@H](CC1=NC2=CC=CC=C2C=C1)C(=O)O MCULE-2235392937 [0,0,1,1,0,0|1,0,0]=3 539 B17R2.9167 N[C@H](CC1=CC2=C(C=CC=C2)C=C1)C(=O)O MCULE-1713629999 [0,0,1,1,0,0|0,0,0]=2 540 B17R2.9167 N[C@H](CC1=CC2=C(C=CC=C2)C=C1)C(=O)O MCULE-6228267929 [0,0,1,1,0,0|0,0,0]=2 541 B17R2.9167 N[C@H](CC1=CC=C2C=CC=CC2=C1)C(=O)O MCULE-5020668122 [0,0,1,1,0,0|0,0,0]=2 542 B17R2.9167 N[C@H](CC1=CC=C2C=CC=CC2=C1)C(=O)O MCULE-9553125479 [0,0,1,1,0,0|0,0,0]=2 543 B17R2.9167 N[C@H](CC1=NC2=C(C=CC=C2)C=C1)C(=O)O MCULE-3603574921 [0,0,1,1,0,0|1,0,0]=3 544 B17R2.9167 N[C@H](CC1=NC2=CC=CC=C2C=C1)C(=O)O MCULE-3393121490 [0,0,1,1,0,0|1,0,0]=3 545 B17R2.9167 O=C(O)C(=O)CC1=CC2=C(C=CC=C2)C=C1 MCULE-9220487829 [0,0,1,1,0,0|1,0,1]=4 546 B17R2.16 NC(CCC1=CNC2=C1C=CC=C2)C(=O)O MCULE-5361301584 [0,0,1,1,0,0|1,0,1]=4 547 B17R3.18998 NC1COC2=C(C1)C3=C(C=CC=C3)C=C2 MCULE-7056086898 [1,0,0,1,0,0|0,0,1]=3 548 B17R3.18998 NC1COC2=C(C1)C3=C(C=CC=C3)C=C2 MCULE-8359981798 [1,0,0,1,0,0|0,0,1]=3 549 B17R3.31 O=C1CCC2=C3C=CC=CC3=CC=C2O1 MCULE-5592602035 [1,0,0,1,0,0|0,0,0]=2 550 B17R3.31 O=C1CCC2=C3C=CC=NC3=CC=C2N1 MCULE-2028429129 [1,0,0,1,0,0|2,0,0]=4 551 B17R3.3314 O=C1CC(C1)C2=C3C=CC=CC3=CC=C2 MCULE-8112130767 [1,0,0,1,0,0|1,0,0]=3 552 B17R3.477137 O=C(O)C1CC2=C3C1=CC=CC3=CC=C2 MCULE-8635888330 [1,0,0,1,0,0|0,0,0]=2 553 B17R3.65033 O=C(O)C1CC2=C(C1)C3=C(N2)C=CC=C3 MCULE-4512034780 [0,0,0,1,1,0|2,0,0]=4 554 B19R3.59102 O=C(O)C1CC2=C(O1)C=CC3=CC(=CC=C23)Br MCULE-7906289195 [0,1,0,1,0,0|1,0,0]=3 555 B19R3.199630 O=C(O)C1COC2=C(C1)C3=CC=CC=C3C=C2 MCULE-1323723298 [0,1,0,1,0,0|1,0,0]=3 556 B19R3.180717 CC1=C2C=CC=CC2=C3C=C(NC3=C1)C(=O)O MCULE-9373074299 [0,1,0,1,0,0|0,0,2]=4 557 B19R3.180717 O=C(O)C1=CC2=C3C=CC=CC3=C(C=C2N1)Br MCULE-5296852775 [0,1,0,1,0,0|0,0,2]=4 558 B19R3.180717 O=C(O)C1=CC2=C3C=CC=CC3=C(C=C2N1)F MCULE-6408013577 [0,1,0,1,0,0|0,0,2]=4 559 B19R3.13295 COC(=O)[C@@H]1C[C@H]1C2=C3C=CC=CC3=CC=C2 MCULE-7672374658 [0,1,0,1,0,0|1,0,0]=3 560 B19R3.13295 COC(=O)[C@H]1C[C@@H]1C2=C3C=CC=CC3=CC=C2 MCULE-1161530560 [0,1,0,1,0,0|1,0,0]=3 561 B19R3.247226 COC(=O)C1=CC2=C(N1)C=CC3=C2C=CC=C3 MCULE-5351075919 [0,1,0,1,0,0|0,0,2]=4 562 B19R3.247226 COC(=O)C1CC2=C(O1)C=CC3=CC=CC=C23 MCULE-9770951027 [0,1,0,1,0,0|1,0,0]=3 563 B19R3.247226 NNC(=O)C1CC2=C(O1)C=CC3=C2C=CC=C3 MCULE-1855970591 [0,1,0,1,0,0|2,0,0]=4 564 B15R2.4 NC(CO)CC1=CNC2=C1C=CC=C2 MCULE-4101569242 [1,0,0,0,1,0|1,0,1]=4 565 B15R2.4 NC(CO)CC1=CNC2=C1C=CC=C2 MCULE-4419819481 [1,0,0,0,1,0|1,0,1]=4 566 B15R2.4 NC(CO)CC1=CNC2=C1C=CC=C2 MCULE-8757853264 [1,0,0,0,1,0|1,0,1]=4 567 B15R2.4 N[C@@H](CO)CC1=CNC2=C1C=CC=C2 MCULE-5057169498 [1,0,0,0,1,0|1,0,1]=4 568 B15R2.4 N[C@@H](CO)CC1=CNC2=C1C=CC=C2 MCULE-6263792283 [1,0,0,0,1,0|1,0,1]=4 569 B15R2.4 N[C@@H](CO)CC1=CNC2=C1C=CC=C2 MCULE-7147570312 [1,0,0,0,1,0|1,0,1]=4 570 B15R2.4 N[C@@H](CO)CC1=CNC2=CC=CC=C12 MCULE-9591598328 [1,0,0,0,1,0|1,0,1]=4 571 B15R2.4 N[C@H](CO)CC1=CNC2=C1C=CC=C2 MCULE-1258780591 [1,0,0,0,1,0|1,0,1]=4 572 B15R2.4 [C@@H](N)(CO)CC1=CNC2=C1C=CC=C2 MCULE-7424777740 [1,0,0,0,1,0|1,0,1]=4 573 B15R2.79765 C=C[C@@H](N)C1=CC=CC2=C1C=CC=C2 MCULE-1398965968 [1,0,0,0,1,0|1,0,0]=3 574 B15R2.79765 C=C[C@@H](N)C1=CC=CC2=C1C=CC=C2 MCULE-5787012969 [1,0,0,0,1,0|1,0,0]=3 575 B15R2.79765 C=C[C@@H](N)C1=CC=NC2=C1C=CC=C2 MCULE-6203483601 [1,0,0,0,1,0|2,0,0]=4 576 B15R2.79765 C=C[C@@H](N)C1=CC=NC2=C1C=CC=C2 MCULE-9983220282 [1,0,0,0,1,0|2,0,0]=4 577 B15R2.79765 C=C[C@H](N)C1=CC=CC2=C1C=CC=C2 MCULE-2031754589 [1,0,0,0,1,0|1,0,0]=3 578 B15R2.79765 C=C[C@H](N)C1=CC=CC2=C1C=CC=C2 MCULE-8036506253 [1,0,0,0,1,0|1,0,0]=3 579 B15R2.79765 C=C[C@H](N)C1=CC=NC2=C1C=CC=C2 MCULE-2784606573 [1,0,0,0,1,0|2,0,0]=4 580 B15R2.79765 C=C[C@H](N)C1=CC=NC2=C1C=CC=C2 MCULE-9219768563 [1,0,0,0,1,0|2,0,0]=4 581 B15R2.79765 CC(C=O)C1=CC=CC2=C1C=CC=C2 MCULE-7681374097 [1,0,0,0,1,0|1,0,0]=3 582 B15R2.79765 CC(NO)C1=C2C=CC=CC2=CC=C1 MCULE-4789195867 [1,0,0,0,1,0|2,0,0]=4 583 B15R2.79765 CCC(N)C1=C2C=CC=CC2=CC=C1 MCULE-2988669818 [1,0,0,0,1,0|1,0,1]=4 584 B15R2.79765 CCC(N)C1=C2C=CC=CC2=CC=C1 MCULE-6307813237 [1,0,0,0,1,0|1,0,1]=4 585 B15R2.79765 CC[C@@H](N)C1=C2C=CC=CC2=CC=C1 MCULE-2197034678 [1,0,0,0,1,0|1,0,1]=4 586 B15R2.79765 CC[C@@H](N)C1=C2C=CC=CC2=CC=C1 MCULE-2614355001 [1,0,0,0,1,0|1,0,1]=4 587 B15R2.79765 CC[C@H](N)C1=C2C=CC=CC2=CC=C1 MCULE-1154088950 [1,0,0,0,1,0|1,0,1]=4 588 B15R2.79765 CC[C@H](N)C1=C2C=CC=CC2=CC=C1 MCULE-1361579340 [1,0,0,0,1,0|1,0,1]=4 589 B15R2.79765 CC[C@H](N)C1=C2C=CC=CC2=CC=C1 MCULE-5113826662 [1,0,0,0,1,0|1,0,1]=4 590 B15R2.79765 CC[C@H](N)C1=C2C=CC=CC2=CC=C1 MCULE-8199180345 [1,0,0,0,1,0|1,0,1]=4 591 B15R2.79765 N/C(=N\O)/C1=CC=CC2=CC=CC=C12 MCULE-5649935895 [1,0,0,0,1,0|1,0,1]=4 592 B15R2.79765 NC(CO)C1=C2C=CC=CC2=CC=C1 MCULE-1060571142 [1,0,0,0,1,0|0,0,1]=3 593 B15R2.79765 NC(CO)C1=C2C=CC=CC2=CC=C1 MCULE-2422039106 [1,0,0,0,1,0|0,0,1]=3 594 B15R2.79765 NC[C@@H](N)C1=CC=CC2=C1C=CC=C2 MCULE-1066845716 [1,0,0,0,1,0|1,0,1]=4 595 B15R2.79765 NC[C@@H](N)C1=CC=CC2=C1C=CC=C2 MCULE-3745500045 [1,0,0,0,1,0|1,0,1]=4 596 B15R2.79765 NC[C@H](N)C1=CC=CC2=C1C=CC=C2 MCULE-8940414958 [1,0,0,0,1,0|1,0,1]=4 597 B15R2.79765 NC[C@H](N)C1=CC=CC2=C1C=CC=C2 MCULE-8975259149 [1,0,0,0,1,0|1,0,1]=4 598 B15R2.79765 N[C@@H](CF)C1=CC=CC2=C1C=CC=C2 MCULE-3116930101 [1,0,0,0,1,0|1,0,1]=4 599 B15R2.79765 N[C@@H](CF)C1=CC=CC2=C1C=CC=C2 MCULE-5743432411 [1,0,0,0,1,0|1,0,1]=4 600 B15R2.79765 N[C@@H](CO)C1=C2C=CC=CC2=CC=C1 MCULE-3779789708 [1,0,0,0,1,0|0,0,1]=3 601 B15R2.79765 N[C@@H](CO)C1=C2C=CC=CC2=CC=C1 MCULE-4101408663 [1,0,0,0,1,0|0,0,1]=3 602 B15R2.79765 N[C@@H](CO)C1=C2C=CC=CC2=CC=C1 MCULE-8030558208 [1,0,0,0,1,0|0,0,1]=3 603 B15R2.79765 N[C@@H](CO)C1=C2C=CC=CC2=CC=C1 MCULE-8741939780 [1,0,0,0,1,0|0,0,1]=3 604 B15R2.79765 N[C@@H](CO)C1=CC=NC2=C1C=CC=C2 MCULE-1018576184 [1,0,0,0,1,0|1,0,1]=4 605 B15R2.79765 N[C@@H](CO)C1=CC=NC2=C1C=CC=C2 MCULE-4187296240 [1,0,0,0,1,0|1,0,1]=4 606 B15R2.79765 N[C@H](CF)C1=CC=CC2=C1C=CC=C2 MCULE-2365488664 [1,0,0,0,1,0|1,0,1]=4 607 B15R2.79765 N[C@H](CF)C1=CC=CC2=C1C=CC=C2 MCULE-6655485986 [1,0,0,0,1,0|1,0,1]=4 608 B15R2.79765 N[C@H](CO)C1=C2C=CC=CC2=CC=C1 MCULE-2843651610 [1,0,0,0,1,0|0,0,1]=3 609 B15R2.79765 N[C@H](CO)C1=C2C=CC=CC2=CC=C1 MCULE-3661925304 [1,0,0,0,1,0|0,0,1]=3 610 B15R2.79765 N[C@H](CO)C1=C2C=CC=CC2=CC=C1 MCULE-4031289232 [1,0,0,0,1,0|0,0,1]=3 611 B15R2.79765 N[C@H](CO)C1=C2C=CC=CC2=CC=C1 MCULE-7521158961 [1,0,0,0,1,0|0,0,1]=3 612 B15R2.79765 N[C@H](CO)C1=CC=NC2=C1C=CC=C2 MCULE-3365021741 [1,0,0,0,1,0|1,0,1]=4 613 B15R2.79765 N[C@H](CO)C1=CC=NC2=C1C=CC=C2 MCULE-6699328312 [1,0,0,0,1,0|1,0,1]=4 614 B15R2.79765 O=CC(=O)C1=C2C=CC=CC2=CC=C1 MCULE-2869491176 [1,0,0,0,1,0|1,0,1]=4 615 B15R2.79765 OCC(O)C1=CC=CC2=CC=CC=C12 MCULE-8506853365 [1,0,0,0,1,0|1,0,1]=4 616 B15R2.6 CC(=O)CCC1=CNC2=C1C=CC=C2 MCULE-7392845361 [1,0,0,0,1,0|2,0,0]=4 617 B15R2.6 NC(=O)CCC1=CNC2=C1C=CC=C2 MCULE-3897886792 [1,0,0,0,1,0|2,0,0]=4 618 B15R2.6 NC(=O)CCN1C=CC2=CC=CC=C12 MCULE-8078725777 [1,0,0,0,1,0|2,0,0]=4 619 B15R2.6 O=C(O)CCC1=CNC2=C1C=CC=C2 MCULE-4395981703 [1,0,0,0,1,0|1,0,0]=3 620 B15R2.6 O=C(O)CCC1=CNC2=C1C=CC=N2 MCULE-3968966198 [1,0,0,0,1,0|2,0,0]=4 621 B15R2.6 O=C(O)CCC1=CSC2=C1C=CC=C2 MCULE-9447024037 [1,0,0,0,1,0|1,0,0]=3 622 B15R2.6 O=C(O)CCC1=NC=C2N1C=CC=C2 MCULE-9041931475 [1,0,0,0,1,0|2,0,0]=4 623 B15R2.6 O=C(O)CCC1N=CC2=CC=CC=C12 MCULE-9471558672 [1,0,0,0,1,0|1,0,1]=4 624 B15R2.6 O=C(O)CCN1C=CC2=CC=CC=C12 MCULE-1354088018 [1,0,0,0,1,0|1,0,0]=3 625 B15R2.6 O=C(O)CCN1C=CC2=CC=CN=C12 MCULE-5269994729 [1,0,0,0,1,0|2,0,0]=4 626 B15R2.6 O=C(O)CCN1C=NC2=C1C=CC=C2 MCULE-3872829331 [1,0,0,0,1,0|2,0,0]=4 627 B15R2.6 O=C(O)CCN1C=NC2=C1C=CC=C2 MCULE-8755783788 [1,0,0,0,1,0|2,0,0]=4 628 B15R2.6 O=C(O)CCN1C=[NH+]C2=CC=CC=C12 MCULE-9033437062 [1,0,0,0,1,0|2,0,0]=4 629 B15R2.6 O=C(O)CCN1N=CC2=C1C=CC=C2 MCULE-4830644797 [1,0,0,0,1,0|2,0,0]=4 630 B15R2.6 O=C(O)CSC1=CNC2=C1C=CC=C2 MCULE-3383554611 [1,0,0,0,1,0|2,0,0]=4 631 B15R2.19753 O=C(O)CCC1=CC=CC2=C1C=CN2 MCULE-5461746706 [1,0,0,0,1,0|1,0,0]=3 632 B15R2.19753 O=C(O)COC1=CC=CC2=C1C=CN2 MCULE-5846564176 [1,0,0,0,1,0|2,0,0]=4 633 B15R2.1255 CC(C(=O)O)N1C=CC2=CC=CC=C12 MCULE-7771418365 [0,0,0,0,2,0|2,0,0]=4 634 B15R2.1255 C[C@@H](C(=O)O)N1C=CC2=C1C=CC=C2 MCULE-3855599730 [0,0,0,0,2,0|2,0,0]=4 635 B15R2.1255 NC(C(=O)O)C1=CNC2=C1C=CC=C2 MCULE-3418323043 [0,0,0,0,2,0|1,0,0]=3 636 B15R2.1255 NC(C(=O)O)C1=CNC2=C1C=CC=N2 MCULE-6611768328 [0,0,0,0,2,0|2,0,0]=4 637 B15R2.1255 N[C@H](C(=O)O)C1=CNC2=C1C=CC=C2 MCULE-2652998695 [0,0,0,0,2,0|1,0,0]=3 638 B15R2.1255 N[C@H](C(=O)O)C1=CNC2=CC=CC=C12 MCULE-9368537487 [0,0,0,0,2,0|1,0,0]=3 639 B15R2.27931 NC(C(=O)O)C1=CC=CC2=C1C=CN2 MCULE-4489842080 [0,0,0,0,2,0|1,0,0]=3 640 B17R2.291558 C=C(C)CCCC1=CC=CC2=CC=CC=C12 MCULE-7142764762 [1,0,0,0,0,1|2,0,0]=4 641 B17R2.291558 CC(O)CNCC1=C2C=CC=CC2=CC=C1 MCULE-3192904676 [1,0,0,0,0,1|1,0,1]=4 642 B17R2.291558 CC(O)CNCC1=CC=CC2=CC=CC=C12 MCULE-3339828119 [1,0,0,0,0,1|1,0,1]=4 643 B17R2.291558 N(CC1=CC=CC2=CC=CC=C12)CC(C)O MCULE-8571606957 [1,0,0,0,0,1|1,0,1]=4 644 B17R2.291558 O=C(O)CCCC1=C2C=CC=CC2=CC=C1 MCULE-8333010495 [1,0,0,0,0,1|0,0,0]=2 645 B17R2.291558 O=C(O)CCNC1=NC=NC2=CC=CC=C12 MCULE-2862944369 [1,0,0,0,0,1|2,0,0]=4 646 B17R2.291558 O=C(O)CCOC1=C2C=CC=CC2=CC=C1 MCULE-9148487789 [1,0,0,0,0,1|0,0,0]=2 647 B17R2.291558 O=C(O)CCSC1=C2C=CC=CC2=NC=N1 MCULE-5441461072 [1,0,0,0,0,1|2,0,0]=4 648 B17R2.291558 O=C(O)CCSC1=CC=CC2=C1C=CC=C2 MCULE-5693432022 [1,0,0,0,0,1|0,0,0]=2 649 B17R2.291558 O=C(O)CC[NH2+]C1=NC=NC2=CC=CC=C12 MCULE-5200901209 [1,0,0,0,0,1|2,0,0]=4 650 B17R2.291558 O=C(O)CNCC1=CC=CC2=CC=CC=C12 MCULE-7691053249 [1,0,0,0,0,1|0,0,0]=2 651 B17R2.291558 O=C(O)CNCC1=CC=CC2=CC=CC=C12 MCULE-8631815589 [1,0,0,0,0,1|0,0,0]=2 652 B17R2.291558 O=C(O)CNCC1=NC=CC2=C1C=CC=C2 MCULE-6052705912 [1,0,0,0,0,1|1,0,0]=3 653 B17R2.291558 O=C(O)CSCC1=C2C=CC=CC2=CC=C1 MCULE-9828528035 [1,0,0,0,0,1|0,0,0]=2 654 B17R2.291558 O=N(=O)CCOC1=CC=CC2=C1C=CC=C2 MCULE-5482141172 [1,0,0,0,0,1|1,0,1]=4 655 B17R2.39 NC(CC(=O)O)CC1=CNC2=C1C=CC=C2 MCULE-2729301529 [0,0,0,0,1,1|1,0,0]=3 656 B17R2.39 NC(CC(=O)O)CC1=CNC2=C1C=CC=C2 MCULE-4429421792 [0,0,0,0,1,1|1,0,0]=3 657 B17R2.39 NC(CC(=O)O)CC1=CSC2=CC=CC=C12 MCULE-5115224173 [0,0,0,0,1,1|1,0,0]=3 658 B17R2.39 NC(CC(=O)O)CC1=CSC2=CC=CC=C12 MCULE-9379962356 [0,0,0,0,1,1|1,0,0]=3 659 B17R2.39 N[C@@H](CC(=O)O)CC1=CNC2=C1C=CC=C2 MCULE-2654043984 [0,0,0,0,1,1|1,0,0]=3 660 B17R2.39 N[C@@H](CC(=O)O)CC1=CNC2=C1C=CC=C2 MCULE-6295673056 [0,0,0,0,1,1|1,0,0]=3 661 B17R2.39 N[C@@H](CC(=O)O)CC1=CNC2=C1C=CC=C2 MCULE-7847879227 [0,0,0,0,1,1|1,0,0]=3 662 B17R2.39 N[C@@H](CC(=O)O)CC1=CNC2=CC=CC=C12 MCULE-2988137343 [0,0,0,0,1,1|1,0,0]=3 663 B17R2.39 N[C@@H](CC(=O)O)CC1=CSC2=C1C=CC=C2 MCULE-2867145195 [0,0,0,0,1,1|1,0,0]=3 664 B17R2.39 N[C@@H](CC(=O)O)CC1=CSC2=C1C=CC=C2 MCULE-6646879167 [0,0,0,0,1,1|1,0,0]=3 665 B17R2.39 N[C@@H](CC(=O)O)CC1=CSC2=CC=CC=C12 MCULE-3636493320 [0,0,0,0,1,1|1,0,0]=3 666 B17R2.39 N[C@@H](CC(=O)O)CC1=CSC2=CC=CC=C12 MCULE-7630794072 [0,0,0,0,1,1|1,0,0]=3 667 B17R2.39 N[C@H](CC(=O)O)CC1=CNC2=C1C=CC=C2 MCULE-1639949050 [0,0,0,0,1,1|1,0,0]=3 668 B17R2.39 N[C@H](CC(=O)O)CC1=CNC2=C1C=CC=C2 MCULE-1946876843 [0,0,0,0,1,1|1,0,0]=3 669 B17R2.39 N[C@H](CC(=O)O)CC1=CNC2=CC=CC=C12 MCULE-8022795403 [0,0,0,0,1,1|1,0,0]=3 670 B17R2.39 N[C@H](CC(=O)O)CC1=CNC2=CC=CC=C12 MCULE-9758468344 [0,0,0,0,1,1|1,0,0]=3 671 B17R2.39 N[C@H](CC(=O)O)CC1=CSC2=C1C=CC=C2 MCULE-1597107796 [0,0,0,0,1,1|1,0,0]=3 672 B17R2.39 N[C@H](CC(=O)O)CC1=CSC2=C1C=CC=C2 MCULE-3864990170 [0,0,0,0,1,1|1,0,0]=3 673 B17R2.39 N[C@H](CC(=O)O)CC1=CSC2=CC=CC=C12 MCULE-3053632532 [0,0,0,0,1,1|1,0,0]=3 674 B17R2.39 N[C@H](CC(=O)O)CC1=CSC2=CC=CC=C12 MCULE-4953969691 [0,0,0,0,1,1|1,0,0]=3 675 B19R2.6098775 NC(CSCC1=C2C=CC=CC2=CC=C1)C(=O)O MCULE-2309616179 [0,0,0,0,0,2|0,0,0]=2 676 B19R2.3465413 O=C(O)CNC(=O)CC1=C2C=CC=CC2=CC=C1 MCULE-1599560664 [0,0,0,0,0,2|1,0,1]=4