0 B14R2.8188 CN1C(=O)C(=O)NC2=C1C=CC=C2 AT21275 [0,0,0,0,0,0|3,0,1]=4 1 B13R2.32 CN1C(=O)COC2=C1C=CC=C2 D84259 [1,0,0,0,0,0|2,0,0]=3 2 B13R2.328 NC1=NC2=CC=CC=C2C(O)=C1 F19174 [1,0,0,0,0,0|2,0,1]=4 3 B13R2.369 CN1CC2=C(C=CC=C2)NC1=O F12578 [1,0,0,0,0,0|2,0,0]=3 4 B13R2.369 C[C@@H]1OC2=C(C=CC=C2)NC1=O 71492 [1,0,0,0,0,0|2,0,0]=3 5 B13R1.135 COC(=O)[C@@H](Cl)CC1=CC=CC=C1 AC2389 [0,0,1,0,0,0|3,0,0]=4 6 B13R1.135 COC(=O)[C@@H](N)CC1=CC=CC=C1 28520 [0,0,1,0,0,0|2,0,0]=3 7 B13R1.135 COC(=O)[C@@H](N)CC1=CC=CC=C1 30761 [0,0,1,0,0,0|2,0,0]=3 8 B13R1.135 COC(=O)[C@@H](N)CC1=CC=CC=C1 73273 [0,0,1,0,0,0|2,0,0]=3 9 B13R1.135 COC(=O)[C@@H](O)CC1=CC=CC=C1 23790 [0,0,1,0,0,0|3,0,0]=4 10 B13R1.135 COC(=O)[C@@H](O)CC1=CC=CC=C1 FD1247 [0,0,1,0,0,0|3,0,0]=4 11 B13R1.135 COC(=O)[C@@H](O)CC1=CC=CC=C1 FD1253 [0,0,1,0,0,0|3,0,0]=4 12 B13R2.3085 CN1C(=O)C(=O)C2=C1C=CC=C2 FD7160 [0,0,0,0,1,0|2,0,1]=4 13 B12R1.371 CC1=C(NC(=O)CCl)C=CC=C1 71025 [1,0,1,0,0,0|1,0,0]=3 14 B12R1.371 CC1=C(NC(=S)NN)C=CC=C1 D77807 [1,0,1,0,0,0|1,1,0]=4 15 B12R1.371 NNC(=O)NC1=C(Cl)C=CC=C1 W18576 [1,0,1,0,0,0|2,0,0]=4 16 B12R1.371 O=C(CBr)NC1=C(F)C=CC=C1 71401 [1,0,1,0,0,0|2,0,0]=4 17 B12R1.371 O=C(CCl)NC1=C(F)C=CC=C1 57527 [1,0,1,0,0,0|2,0,0]=4 18 B12R1.27 COC(=O)CCC1=CC=CC=C1 AC8659 [1,0,1,0,0,0|2,0,0]=4 19 B12R1.27 NNC(=O)CCC1=CC=CC=C1 W15768 [1,0,1,0,0,0|1,0,0]=3 20 B12R1.27 NNC(=O)COC1=CC=CC=C1 D84136 [1,0,1,0,0,0|2,0,0]=4 21 B12R1.27 NNC(=O)OCC1=CC=CC=C1 C93486 [1,0,1,0,0,0|2,0,0]=4 22 B12R1.27 O=C(CO)OCC1=CC=CC=C1 AB8174 [1,0,1,0,0,0|2,0,0]=4 23 B12R1.27 O=C(NO)OCC1=CC=CC=C1 70490 [1,0,1,0,0,0|1,0,0]=3 24 B12R1.43 C=C(C)C(=O)NC1=CC=CC=C1 AC9002 [1,0,1,0,0,0|1,0,1]=4 25 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O F13740 [1,0,1,0,0,0|1,0,1]=4 26 B12R1.43 CC(C)C(=O)OC1=CC=CC=C1 D91164 [1,0,1,0,0,0|2,0,0]=4 27 B12R1.43 C[C@H](Br)C(=O)NC1=CC=CC=C1 F50752 [1,0,1,0,0,0|1,0,0]=3 28 B12R1.43 C[C@H](OC1=CC=CC=C1)C(=O)O 65146 [1,0,1,0,0,0|2,0,0]=4 29 B12R1.43 C[C@H](OC1=CC=CC=C1)C(=O)O AR3815 [1,0,1,0,0,0|2,0,0]=4 30 B12R1.43 C[C@H](OC1=CC=CC=C1)C(N)=O AR2180 [1,0,1,0,0,0|2,0,0]=4 31 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 39405 [1,0,1,0,0,0|0,0,0]=2 32 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 F10543 [1,0,1,0,0,0|0,0,0]=2 33 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 F10920 [1,0,1,0,0,0|0,0,0]=2 34 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 F10983 [1,0,1,0,0,0|0,0,0]=2 35 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 F11007 [1,0,1,0,0,0|0,0,0]=2 36 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O 28345 [1,0,1,0,0,0|0,0,0]=2 37 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O AC8117 [1,0,1,0,0,0|0,0,0]=2 38 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O C10470 [1,0,1,0,0,0|0,0,0]=2 39 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O D77851 [1,0,1,0,0,0|0,0,0]=2 40 B12R1.43 N[C@@H](CC1=CC=NC=C1)C(=O)O 50941 [1,0,1,0,0,0|1,0,0]=3 41 B12R1.43 N[C@@H](CC1=CC=NC=C1)C(=O)O C10909 [1,0,1,0,0,0|1,0,0]=3 42 B12R1.43 N[C@@H](CC1=CC=NC=C1)C(=O)O O10212 [1,0,1,0,0,0|1,0,0]=3 43 B12R1.43 N[C@@H](CC1=CC=NC=C1)C(=O)O W16799 [1,0,1,0,0,0|1,0,0]=3 44 B12R1.43 N[C@@H](CC1=CN=CC=C1)C(=O)O 24145 [1,0,1,0,0,0|1,0,0]=3 45 B12R1.43 N[C@@H](CC1=CN=CC=C1)C(=O)O 34743 [1,0,1,0,0,0|1,0,0]=3 46 B12R1.43 N[C@@H](CC1=CN=CC=C1)C(=O)O C74797 [1,0,1,0,0,0|1,0,0]=3 47 B12R1.43 N[C@@H](CC1=CN=CC=C1)C(=O)O H10629 [1,0,1,0,0,0|1,0,0]=3 48 B12R1.43 N[C@@H](CC1=NC=CC=C1)C(=O)O A50237 [1,0,1,0,0,0|1,0,0]=3 49 B12R1.43 N[C@@H](CC1=NC=CC=C1)C(=O)O A50238 [1,0,1,0,0,0|1,0,0]=3 50 B12R1.43 N[C@@H](CC1=NC=CC=C1)C(=O)O A50249 [1,0,1,0,0,0|1,0,0]=3 51 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 D91915 [1,0,1,0,0,0|1,0,1]=4 52 B12R1.43 O=C(O)[C@@H](Br)CC1=CC=CC=C1 H11389 [1,0,1,0,0,0|1,0,0]=3 53 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 AC1610 [1,0,1,0,0,0|1,0,0]=3 54 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 FD1244 [1,0,1,0,0,0|1,0,0]=3 55 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 FD1250 [1,0,1,0,0,0|1,0,0]=3 56 B12R1.34 CN(C(=O)CCl)C1=CC=CC=C1 A10303 [1,0,1,0,0,0|2,0,0]=4 57 B12R1.34 COC(=O)[C@H](O)C1=CC=CC=C1 D70330 [1,0,1,0,0,0|2,0,0]=4 58 B12R1.34 COC(=O)[C@H](O)C1=CC=CC=C1 FD1304 [1,0,1,0,0,0|2,0,0]=4 59 B12R1.34 COC(=O)[C@H](O)C1=CC=CC=C1 FD1307 [1,0,1,0,0,0|2,0,0]=4 60 B12R1.34 NNC(=O)[C@H](O)C1=CC=CC=C1 32680 [1,0,1,0,0,0|2,0,0]=4 61 B12R1.34 NNC(=O)[C@H](O)C1=CC=CC=C1 D94755 [1,0,1,0,0,0|2,0,0]=4 62 B12R1.283 NCCC1=C([N+](=O)[O-])C=CC=C1 C78510 [1,0,1,0,0,0|0,0,2]=4 63 B12R2.24 C[C@H]1CCC2=C(C=CC=C2)N1 AC1627 [2,0,0,0,0,0|1,0,1]=4 64 B12R2.24 N[C@@H]1COC2=C(C=CC=C2)C1 20327 [2,0,0,0,0,0|1,0,1]=4 65 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 20236 [2,0,0,0,0,0|1,0,1]=4 66 B12R2.24 O=C1C=NC2=C(C=CC=C2)N1 F16123 [2,0,0,0,0,0|1,0,1]=4 67 B12R2.24 O=C1CC2=C(C=CC=C2)CO1 71053 [2,0,0,0,0,0|2,0,0]=4 68 B12R2.24 O=C1CCC2=C(C=CC=C2)C1 22566 [2,0,0,0,0,0|1,0,0]=3 69 B12R2.24 O=C1CCC2=C(C=CC=C2)N1 64816 [2,0,0,0,0,0|0,0,0]=2 70 B12R2.24 O=C1CCC2=C(C=CC=C2)O1 D70234 [2,0,0,0,0,0|1,0,0]=3 71 B12R2.24 O=C1CCN2C=CC=CC2=N1 77967 [2,0,0,0,0,0|1,0,1]=4 72 B12R2.24 O=C1CNC2=C(C=CC=C2)N1 69683 [2,0,0,0,0,0|1,0,0]=3 73 B12R2.24 O=C1COC2=C(C=CC=C2)N1 64814 [2,0,0,0,0,0|1,0,0]=3 74 B12R2.24 O=C1COC2=C(C=CC=C2)O1 W17423 [2,0,0,0,0,0|2,0,0]=4 75 B12R2.24 O=C1COC2=CC=CN=C2N1 30018 [2,0,0,0,0,0|2,0,0]=4 76 B12R2.24 O=C1CSC2=C(C=CC=C2)C1 Y10089 [2,0,0,0,0,0|2,0,0]=4 77 B12R2.24 O=C1CSC2=C(C=CC=C2)N1 F19976 [2,0,0,0,0,0|1,0,0]=3 78 B12R2.1081 CN1CCCC2=C1C=CC=C2 F13268 [2,0,0,0,0,0|1,0,1]=4 79 B12R2.1081 O[C@H]1CCCC2=C1C=CC=C2 73935 [2,0,0,0,0,0|1,0,1]=4 80 B14R1.60 CCOC(=O)[C@@H](N)CC1=CC=CC=C1 75095 [0,1,1,0,0,0|2,0,0]=4 81 B14R1.60 CCOC(=O)[C@@H](N)CC1=CC=CC=C1 F10840 [0,1,1,0,0,0|2,0,0]=4 82 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(Br)C=C1 N12080 [0,1,1,0,0,0|2,0,0]=4 83 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(Cl)C=C1 71015 [0,1,1,0,0,0|2,0,0]=4 84 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(Cl)C=C1 N11050 [0,1,1,0,0,0|2,0,0]=4 85 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(F)C=C1 F16875 [0,1,1,0,0,0|2,0,0]=4 86 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(F)C=C1 N11453 [0,1,1,0,0,0|2,0,0]=4 87 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(F)C=C1 Y12262 [0,1,1,0,0,0|2,0,0]=4 88 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(O)C=C1 11241 [0,1,1,0,0,0|2,0,0]=4 89 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(O)C=C1 28800 [0,1,1,0,0,0|2,0,0]=4 90 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(O)C=C1 F14566 [0,1,1,0,0,0|2,0,0]=4 91 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(O)C=C1 H10756 [0,1,1,0,0,0|2,0,0]=4 92 B14R1.134 NNC(=O)[C@@H](N)CC1=CC=C(O)C=C1 D92529 [0,1,1,0,0,0|1,0,0]=3 93 B14R1.1107 COC(=O)[C@@](C)(N)CC1=CC=CC=C1 F10978 [0,1,1,0,0,0|2,0,0]=4 94 B14R2.92 O=CC1=C(Cl)C2=C(C=CC=C2)CC1 76073 [1,1,0,0,0,0|2,0,0]=4 95 B14R2.639 CC1(C)NC2=C(C=CC=C2)NC1=O C10146 [1,1,0,0,0,0|2,0,0]=4 96 B14R2.639 CC1(C)OC2=C(C=CC=C2)NC1=O 77068 [1,1,0,0,0,0|2,0,0]=4 97 B14R2.8239 C[C@@H]1OC2=C(C=C(Br)C=C2)NC1=O 69010 [1,1,0,0,0,0|2,0,0]=4 98 B12R2.18 CN1C(=O)CC2=C1C=CC=C2 79476 [1,0,0,0,1,0|1,0,0]=3 99 B12R2.18 CN1C(=O)CC2=C1N=CC=C2 P15308 [1,0,0,0,1,0|2,0,0]=4 100 B12R2.18 CN1C(=O)NC2=C1C=CC=C2 W11509 [1,0,0,0,1,0|2,0,0]=4 101 B12R2.18 O=C1CC2=C(C=CC=C2)C1=O 29193 [1,0,0,0,1,0|1,0,1]=4