0 B14R1.160 CC1=CC=CC=C1C(=O)NCC(=O)O 4758-1-1X [0,0,0,0,0,0|2,0,0]=2 1 B14R1.160 O=C(O)CCC(=O)C1=CC=CC=C1F 2629-3-48 [0,0,0,0,0,0|1,0,0]=1 2 B14R1.160 O=C(O)CNC(=O)C1=C(F)C=CC=C1 4657-3-0G [0,0,0,0,0,0|2,0,0]=2 3 B13R1.45 CC(=O)COC(=O)C1=CC=CC=C1 2623-1-4Q [1,0,0,0,0,0|2,0,0]=3 4 B13R1.45 CC(=O)NCC(=O)C1=CC=CC=C1 4648-1-4U [1,0,0,0,0,0|2,0,0]=3 5 B13R1.45 CC(=O)OCC(=O)C1=CC=CC=C1 2629-1-0K [1,0,0,0,0,0|2,0,0]=3 6 B13R1.45 CC(O)CNC(=O)C1=CC=CC=C1 4656-1-9K [1,0,0,0,0,0|2,0,1]=4 7 B13R1.45 CN(C)CCC(=O)C1=CC=CC=C1 4630-5-0G [1,0,0,0,0,0|3,0,0]=4 8 B13R1.45 N[C@H](CCC(=O)O)C1=CC=CC=C1 4757-1-15 [1,0,0,0,0,0|1,0,1]=3 9 B13R1.45 O=C(O)CNC(=O)C1=CC=CN=C1 4H58-1-3N [1,0,0,0,0,0|2,0,0]=3 10 B13R1.45 O=C(O)CSC(=S)C1=CC=CC=C1 6667-1-02 [1,0,0,0,0,0|1,1,0]=3 11 B13R1.45 O=C(O)\C=C\C(=O)C1=CC=CC=C1 2929-1-17 [1,0,0,0,0,0|0,0,2]=3 12 B13R1.158 CC1=CC=CC=C1OCCC(=O)O 2721-1-1X [1,0,0,0,0,0|2,0,0]=3 13 B13R1.158 O=C(O)CCNC1=CC=CC=C1Cl 4657-5-X9 [1,0,0,0,0,0|2,0,0]=3 14 B13R1.158 O=C(O)CCOC1=CC=CC=C1Cl 2621-5-43 [1,0,0,0,0,0|2,0,0]=3 15 B13R1.158 O=C(O)C\C=C\C1=C(F)C=CC=C1 2921-3-0B [1,0,0,0,0,0|1,0,1]=3 16 B13R1.674 CCCOC(=O)C1=CC=CC=C1O 2629-1-79 [1,0,0,0,0,0|2,0,1]=4 17 B15R1.5815 COC(=O)CNC(=O)C1=CC=CN=C1Cl 4H58-5-63 [0,1,0,0,0,0|3,0,0]=4 18 B15R1.5822 CC1=CC(Br)=CC=C1C(=O)CCC(=O)O 2729-9-04 [0,1,0,0,0,0|1,0,0]=2 19 B15R1.5822 O=C(O)CCC(=O)C1=CC=C(F)C=C1F 2629-3-Z4 [0,1,0,0,0,0|1,0,0]=2 20 B15R2.6 CC(=O)CCC1=CNC2=CC=CC=C12 4H17-1-Z5 [0,0,0,1,0,0|3,0,0]=4 21 B15R2.6 O=C(O)CCN1C=CC2=CC=CC=C21 4H21-1-GC [0,0,0,1,0,0|3,0,0]=4 22 B15R2.6 O=C(O)CCN1C=NC2=CC=CC=C21 4H21-1-7L [0,0,0,1,0,0|3,0,0]=4 23 B15R2.6 O=C(O)CCN1N=NC2=CC=CC=C21 4H21-1-MA [0,0,0,1,0,0|3,0,0]=4 24 B15R2.308 O=C1CCC(C2=CC=CC=C2F)=NN1 4H17-3-47 [0,0,0,1,0,0|3,0,0]=4 25 B15R2.629 CC1=C(CC(=O)O)SC2=CC=CC=C21 6H21-1-27 [0,0,0,1,0,0|1,1,1]=4 26 B15R2.629 O=C(O)CN1CC2=CC=CN=C2C1=O 4H58-1-304 [0,0,0,1,0,0|3,0,0]=4 27 B15R2.14951 CN1CC(C(=O)O)OC2=CC=CC=C21 4H21-1-64 [0,0,0,1,0,0|2,0,0]=3 28 B15R2.14951 O=C(O)C1=CC(=O)C2=CC=CC=C2O1 2H29-1-X2 [0,0,0,1,0,0|0,0,2]=3 29 B15R2.14951 O=C(O)C1=NC2=CC=CC=C2C(=O)N1 4H48-1-03R [0,0,0,1,0,0|2,0,1]=4 30 B13R1.201 NC(CC(=O)O)C1=CC=CC=C1F 4657-3-00 [0,0,0,0,1,0|2,0,1]=4 31 B13R1.201 N[C@H](CC(=O)O)C1=CC=CC=C1Br 4632-9-R0 [0,0,0,0,1,0|2,0,1]=4 32 B15R1.256 O=C(O)\C=C\C(=O)NC1=CC=CC=C1F 4948-3-1E [0,0,0,0,0,1|1,0,2]=4 33 B12R1.30 C=CCNC(=O)C1=CC=CC=C1 4948-1-08 [2,0,0,0,0,0|2,0,0]=4 34 B12R1.30 C=CCOC(=O)C1=CC=CC=C1 2623-1-2L [2,0,0,0,0,0|2,0,0]=4 35 B12R1.30 N#CCCC(=O)C1=CC=CC=C1 4637-1-0S [2,0,0,0,0,0|1,0,1]=4 36 B12R1.30 O=C(CCCCl)C1=CC=CC=C1 2617-5-Z5 [2,0,0,0,0,0|1,0,1]=4 37 B12R1.30 O=C(OCCO)C1=CC=CC=C1 2629-1-0R [2,0,0,0,0,0|1,0,1]=4 38 B12R1.252 O=C(Cl)CCCC1=CC=CC=C1 2616-5-0L [2,0,0,0,0,0|1,0,1]=4 39 B12R1.252 O=C(Cl)CCOC1=CC=CC=C1 2616-5-21 [2,0,0,0,0,0|2,0,0]=4 40 B12R1.252 O=C(O)CCNC1=CC=CC=C1 4631-1-0D [2,0,0,0,0,0|1,0,0]=3 41 B12R1.252 O=C(O)CCSC1=CC=CC=C1 6666-1-04 [2,0,0,0,0,0|1,0,0]=3 42 B12R1.252 O=C(O)CNCC1=CC=CC=C1 4757-1-17 [2,0,0,0,0,0|1,0,1]=4 43 B12R1.308 CCCC(=O)C1=CC=CC=C1F 2617-3-88 [2,0,0,0,0,0|1,0,1]=4 44 B12R1.308 CCCC(=O)C1=CC=CC=C1N 4656-1-2U [2,0,0,0,0,0|1,0,1]=4 45 B12R1.308 CCOC(=O)C1=C(O)C=CC=C1 2623-1-1V [2,0,0,0,0,0|1,0,1]=4 46 B12R1.308 N#CCC(=O)C1=CC=CC=C1O 4637-1-N1 [2,0,0,0,0,0|1,0,1]=4 47 B14R1.149 CC1=CC=CC(C(=O)NCC(=O)O)=C1 4758-1-0U [1,1,0,0,0,0|1,0,0]=3 48 B14R1.149 O=C(O)CNC(=O)C1=CC(F)=CC=C1 4657-3-0F [1,1,0,0,0,0|1,0,0]=3 49 B14R1.163 COC(=O)CCC(=O)C1=CC=CC=C1 2623-1-3J [1,1,0,0,0,0|0,0,0]=2 50 B14R1.415 CC(NC(=O)C1=CC=CC=C1)C(=O)O 4658-1-6T [1,1,0,0,0,0|1,0,0]=3 51 B14R1.415 CC(SC(=S)C1=CC=CC=C1)C(=O)O 6667-1-01 [1,1,0,0,0,0|1,1,0]=4 52 B14R1.415 C[C@@H](NC(=O)C1=CC=CC=C1)C(=O)O 4658-1-R0P [1,1,0,0,0,0|1,0,0]=3 53 B14R1.415 O=C(O)C(=O)CC(=O)C1=CC=CC=C1 2629-1-3U [1,1,0,0,0,0|0,0,1]=3 54 B14R1.415 O=C(O)C(=O)CC(=O)C1=CC=NC=C1 4H29-1-43 [1,1,0,0,0,0|1,0,1]=4 55 B14R1.417 O=C(O)CC(Br)C(=O)C1=CC=CC=C1 2629-9-0F [1,1,0,0,0,0|0,0,0]=2 56 B14R1.678 CC(=O)OCC(=O)C1=CC=C(Br)C=C1 2629-9-12 [1,1,0,0,0,0|2,0,0]=4 57 B14R1.678 CC(=O)OCC(=O)C1=CC=C(C)C=C1 2723-1-0K [1,1,0,0,0,0|2,0,0]=4 58 B14R1.678 CC(=O)OCC(=O)C1=CC=C(Cl)C=C1 2623-5-0M [1,1,0,0,0,0|2,0,0]=4 59 B14R1.678 CC(=O)OCC(=O)C1=CC=C(F)C=C1 2629-3-0Z [1,1,0,0,0,0|2,0,0]=4 60 B14R1.678 CC1=CC=C(C(=O)CCC(=O)O)C=C1 2629-1-75 [1,1,0,0,0,0|0,0,0]=2 61 B14R1.678 CC1=CC=C(C(=O)NCC(=O)O)C=C1 4758-1-1W [1,1,0,0,0,0|1,0,0]=3 62 B14R1.678 O=C(O)CCC(=O)C1=CC=C(Br)C=C1 2629-9-0B [1,1,0,0,0,0|0,0,0]=2 63 B14R1.678 O=C(O)CCC(=O)C1=CC=C(Cl)C=C1 2629-5-13 [1,1,0,0,0,0|0,0,0]=2 64 B14R1.678 O=C(O)\C=C\C(=O)C1=CC=C(Br)C=C1 2629-9-X3 [1,1,0,0,0,0|0,0,2]=4 65 B14R1.678 O=C(O)\C=C\C(=O)C1=CC=C(F)C=C1 2929-3-E1 [1,1,0,0,0,0|0,0,2]=4 66 B14R1.96 COC1=CC=CC=C1OCCC(=O)O 2621-1-3B [1,1,0,0,0,0|1,0,0]=3 67 B14R1.96 N#CC1=CC=CC=C1OCCC(=O)O 4637-1-73 [1,1,0,0,0,0|2,0,0]=4 68 B14R1.4464 O=C(O)C\C=C\C1=CC=C(F)C=C1F 2621-3-6G [1,1,0,0,0,0|1,0,1]=4 69 B14R1.6048 CC(=O)CC(=O)C1=CC=C(F)C=C1F 2618-3-0C [0,1,0,0,1,0|2,0,0]=4 70 B16R1.5567 COC(=O)CCC(=O)C1=C(OC)C=CC=C1 2629-1-22 [0,2,0,0,0,0|0,0,0]=2 71 B16R1.5624 CCOC(=O)CNC(=O)C1=C(Cl)C=CC=C1 4658-5-0K [0,2,0,0,0,0|2,0,0]=4 72 B14R1.423 O=C(O)CCC(=O)NC1=CC=CC=C1 4648-1-5M [0,0,1,1,0,0|2,0,0]=4 73 B14R1.4526 O=C(O)CNC(=O)\C=C\C1=CC=CO1 4H58-1-00T [0,0,1,1,0,0|1,0,0]=3 74 B14R1.4522 O=C(O)CCC1=CC=CC=C1C(=O)O 2621-1-0A [0,0,1,1,0,0|2,0,0]=4 75 B14R2.68 O=C1CC=C(C2=CC=CC=C2)CC1 2617-1-2E [1,0,0,1,0,0|2,0,0]=4 76 B14R2.68 O=C1CCC(C2=CC=CC=C2)=NN1 4H48-1-JX [1,0,0,1,0,0|2,0,0]=4 77 B14R2.287 O=C1CCC(=O)C2=CC=CC=C2N1 4H48-1-00K [1,0,0,1,0,0|1,0,0]=3 78 B14R2.287 O=C1CCC(=O)C2=NC=CC=C2N1 4H48-1-UJ [1,0,0,1,0,0|2,0,0]=4 79 B14R2.779 O=C(O)C1CC(C2=CC=CC=C2)C1 2621-1-0C [1,0,0,1,0,0|1,0,1]=4 80 B14R2.25733 CC(=O)N1CC(=O)C2=CC=CC=C21 4H18-1-00 [1,0,0,1,0,0|2,0,0]=4 81 B14R2.25733 O=C1CC(C(=O)O)C2=CC=CC=C12 2729-1-41 [1,0,0,1,0,0|0,0,0]=2 82 B14R2.25733 O=C1NC(C(=O)O)C2=CC=CC=C12 4H48-1-CS [1,0,0,1,0,0|1,0,0]=3 83 B14R2.768 O=C(O)CC1=CC2=CC=CC=C2N1 4H56-1-8C [1,0,0,1,0,0|1,0,1]=4 84 B14R2.768 O=C(O)CC1=CC2=CC=CC=C2O1 2H21-1-0Z [1,0,0,1,0,0|0,0,1]=3 85 B14R2.768 O=C(O)CC1=NC2=CC=CC=C2O1 4H21-1-H0 [1,0,0,1,0,0|1,0,1]=4 86 B14R2.768 O=C(O)CN1C=C2C=CC=CC2=N1 4H21-1-GD [1,0,0,1,0,0|2,0,0]=4 87 B14R2.781 O=C(Cl)C1COC2=CC=CC=C2O1 2H16-5-10 [1,0,0,1,0,0|2,0,0]=4 88 B14R2.781 O=C(O)C1CCC2=C(C=CC=C2)O1 2H21-1-72 [1,0,0,1,0,0|0,0,1]=3 89 B14R2.781 O=C(O)C1CCC2=CC=CC=C2C1 2621-1-2E [1,0,0,1,0,0|1,0,1]=4 90 B14R2.781 O=C(O)C1CCC2=CC=CC=C2N1 4H58-1-086 [1,0,0,1,0,0|1,0,1]=4 91 B14R2.781 O=C(O)C1CNC2=C(C=CC=C2)O1 4H21-1-MB [1,0,0,1,0,0|1,0,0]=3 92 B14R2.781 O=C(O)C1CNC2=CC=CC=C2C1 4H58-1-087 [1,0,0,1,0,0|2,0,0]=4 93 B14R2.781 O=C(O)C1COC2=CC=CC=C2C1 2H21-1-0T [1,0,0,1,0,0|2,0,0]=4 94 B14R2.781 O=C(O)[C@H]1CCC2=C(C=CC=C2)N1 4H21-1-RF [1,0,0,1,0,0|1,0,1]=4 95 B14R2.781 O=C(O)[C@H]1COC2=CC=CC=C2O1 2H21-1-R3 [1,0,0,1,0,0|1,0,0]=3 96 B14R2.781 [C@@H]1(C(=O)O)COC2=CC=CC=C2O1 2H21-1-S3 [1,0,0,1,0,0|1,0,0]=3 97 B14R2.5443 O=C(O)C1CC1C2=CC=CC=C2Cl 2621-5-32 [1,0,0,1,0,0|1,0,1]=4 98 B14R2.5443 O=C(O)C1CC1C2=CC=CC=C2F 2721-3-83 [1,0,0,1,0,0|1,0,1]=4 99 B14R2.2 O=C(Cl)CC1=COC2=CC=CC=C12 2H16-5-01 [0,0,0,1,1,0|2,0,0]=4 100 B16R2.477 O=C(O)CCC1=CC2=CC=CC=C2C=C1 2621-1-0L [0,0,0,1,0,1|2,0,0]=4 101 B16R2.3989 O=C(O)CC1NC2=CC=CC=C2NC1=O 4H21-1-PE [0,0,0,1,0,1|1,0,0]=3 102 B16R2.3989 O=C(O)CC1SC2=CC=CC=C2NC1=O 8H70-1-8F [0,0,0,1,0,1|0,1,0]=3 103 B16R2.3270 [C@@H]1(C(=O)O)CSC(C2=CC=CC=C2O)N1 8H70-1-R2 [0,0,0,1,0,1|1,0,1]=4 104 B16R2.3356 O=C(O)CCN1CC2=CC=CC=C2C1=O 4H58-1-372 [0,0,0,1,0,1|1,0,0]=3 105 B16R2.12 NC(CC1=CSC2=CC=CC=C12)C(=O)O 8H58-1-X0 [0,1,0,1,0,0|1,1,0]=4 106 B16R2.12 N[C@H](CC1=CSC2=CC=CC=C12)C(=O)O 8H57-1-04 [0,1,0,1,0,0|1,1,0]=4 107 B16R2.12 [C@H](N)(CC1=CNC2=CC=CC=C12)C(=O)O 4H57-1-56 [0,1,0,1,0,0|2,0,0]=4 108 B16R2.1170 COC(=O)CN1CC2=CC=CC=C2C1=O 4H48-1-LC [0,1,0,1,0,0|2,0,0]=4 109 B16R2.15551 O=C(O)CCC1=CNC2=CC=C(F)C=C12 4H21-3-64 [0,1,0,1,0,0|2,0,0]=4 110 B16R2.23501 O=C(O)C1=CC(=O)C2=CC(Cl)=CC=C2O1 2H29-5-05 [0,1,0,1,0,0|0,0,2]=4 111 B16R2.23501 O=C1CC(C(=O)O)OC2=CC=C(F)C=C12 2H29-3-06 [0,1,0,1,0,0|0,0,0]=2 112 B16R2.4003 O=C(O)CCN1C(=O)OC2=CC=CC=C21 4H29-1-Z9 [0,1,0,1,0,0|1,0,0]=3 113 B12R1.54 CC(=O)CCC(=O)C1=COC=C1 2H18-1-02 [1,0,0,0,1,0|2,0,0]=4 114 B12R1.54 O=C(O)CCC(=O)C1=CC=CS1 6H29-1-00 [1,0,0,0,1,0|1,0,0]=3 115 B12R1.107 C\C(=C/C(=O)O)C1=CC=CC=C1 2921-1-25 [1,0,0,0,1,0|1,0,1]=4 116 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 4657-1-S5 [1,0,0,0,1,0|1,0,1]=4 117 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 4630-1-R0 [1,0,0,0,1,0|1,0,1]=4 118 B12R1.107 O=C(O)CC(O)C1=CC=CC=C1 2629-1-3V [1,0,0,0,1,0|0,0,2]=4 119 B12R1.107 O=C(O)\C=C(/Br)C1=CC=CC=C1 2921-9-X1 [1,0,0,0,1,0|1,0,1]=4 120 B12R1.125 CC1=CC=CC=C1OCC(=O)O 2721-1-3N [1,0,0,0,1,0|2,0,0]=4 121 B12R1.125 CC1=CC=CC=C1\C=C\C(=O)O 2921-1-32 [1,0,0,0,1,0|1,0,1]=4 122 B12R1.125 O=C(Cl)CCC1=CC=CC=C1F 2716-7-X6 [1,0,0,0,1,0|2,0,0]=4 123 B12R1.125 O=C(O)CCC1=CC=CC=C1I 2721-H-06 [1,0,0,0,1,0|1,0,0]=3 124 B12R1.125 O=C(O)CCC1=CC=CN=C1F 4H21-3-7L [1,0,0,0,1,0|2,0,0]=4 125 B12R1.125 O=C(O)CNC1=C(F)C=CC=C1 4657-3-0E [1,0,0,0,1,0|2,0,0]=4 126 B12R1.125 O=C(O)CNC1=CC=CC=C1Cl 4658-5-0T [1,0,0,0,1,0|2,0,0]=4 127 B12R1.125 O=C(O)COC1=CC=CC=C1F 2621-3-0C [1,0,0,0,1,0|2,0,0]=4 128 B12R1.125 O=C(O)\C=C\C1=C(O)C=CC=C1 G311-A-48 [1,0,0,0,1,0|0,0,1]=3 129 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1Br 2921-9-02 [1,0,0,0,1,0|1,0,1]=4 130 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1Cl 2921-5-02 [1,0,0,0,1,0|1,0,1]=4 131 B12R1.124 NC(C(=O)O)C1=CC=CC=C1O 4657-1-1R [0,0,0,0,2,0|1,0,1]=4 132 B12R1.124 N[C@@H](C(=O)O)C1=CC=CC=C1O 4657-5-0K [0,0,0,0,2,0|1,0,1]=4 133 B14R1.420 O=C(O)CCCC(=O)C1=CC=CC=C1 2621-1-1Q [1,0,0,0,0,1|0,0,0]=2 134 B14R1.420 O=C(O)CCNC(=O)C1=CC=CC=C1 4648-1-1S [1,0,0,0,0,1|0,0,0]=2