0 B15R1.87 COC1=C(C=CC=C1)CNC(=O)C(=O)O Z424779130 [0,0,0,0,0,0|2,0,2]=4 1 B14R1.96 CCC1=C(C=CC=C1)OCCC(=O)O Z398366562 [1,0,0,0,0,0|1,0,0]=2 2 B14R1.96 COC1=C(C=CC=C1)CCNC(=O)C Z28902648 [1,0,0,0,0,0|3,0,0]=4 3 B14R1.96 COC1=C(C=CC=C1)NCCC(=O)N Z33547240 [1,0,0,0,0,0|2,0,0]=3 4 B14R1.96 COC1=C(C=CC=C1)NCCC(=O)O Z56813547 [1,0,0,0,0,0|1,0,0]=2 5 B14R1.96 COC1=C(C=CC=C1)OCCC(=O)O Z56843581 [1,0,0,0,0,0|0,0,0]=1 6 B14R1.96 COC1=C(C=CC=C1)SCCC(=O)N Z852768936 [1,0,0,0,0,0|1,1,0]=3 7 B14R1.96 COC1=C(C=CC=N1)CNCC(=O)O Z594771492 [1,0,0,0,0,0|3,0,0]=4 8 B14R1.96 O=CC1=C(C=CC=C1)OCCC(=O)O Z954894366 [1,0,0,0,0,0|2,0,0]=3 9 B14R1.161 C=C(COC1=C(C=CC=C1)I)C(=O)O Z1197868436 [1,0,0,0,0,0|2,0,1]=4 10 B14R1.161 CC(CCC1=C(C=CC=C1)F)C(=O)O Z1218936074 [1,0,0,0,0,0|3,0,0]=4 11 B14R1.161 CC1=C(C=CC=C1)CNC(C)C(=O)O Z425414584 [1,0,0,0,0,0|3,0,0]=4 12 B14R1.161 CC1=C(C=CC=C1)COC(C)C(=O)O Z1714302638 [1,0,0,0,0,0|3,0,0]=4 13 B14R1.863 COC1=C(C=CC=C1)OCC(C)CN Z406340940 [1,0,0,0,0,0|2,0,1]=4 14 B14R1.863 COC1=C(C=CC=C1)OCC(O)CO Z1255415511 [1,0,0,0,0,0|0,0,1]=2 15 B16R1.19299 COC1=C(C=CC(=C1)Br)CNC(C)C(=O)O Z2041739223 [0,1,0,0,0,0|3,0,0]=4 16 B16R2.12 NC(CC1=COC2=C1C=CC=C2)C(=O)O Z1416286798 [0,0,0,1,0,0|2,0,1]=4 17 B16R2.12 NC(CN1CCC2=C1C=CC=C2)C(=O)O Z4327136236 [0,0,0,1,0,0|3,0,0]=4 18 B16R2.36806 COC1=C2OCC(=CC2=CC=C1)C(=O)O Z228588764 [0,0,0,1,0,0|1,0,1]=3 19 B16R2.36806 COC1=C2OCC(CC2=CC=C1)C(=O)O Z363996242 [0,0,0,1,0,0|1,0,0]=2 20 B16R2.36829 COC1=C2CCC(C2=CC=C1)(N)C(=O)N Z3102427640 [0,0,0,1,0,0|3,0,0]=4 21 B16R2.36829 COC1=C2CCC(C2=CC=C1)(N)C(=O)O Z2146513845 [0,0,0,1,0,0|2,0,0]=3 22 B14R1.3135 CC(OC1=C(C=CC=C1)C#N)C(=O)O Z65592685 [0,0,0,0,1,0|3,0,0]=4 23 B14R1.3135 CCC1=C(C=CC=C1)OC(C)C(=O)O Z398366626 [0,0,0,0,1,0|2,0,0]=3 24 B14R1.3135 COC1=C(C=CC=C1)NC(C)C(=O)N Z45202234 [0,0,0,0,1,0|3,0,0]=4 25 B14R1.3135 COC1=C(C=CC=C1)OC(C)C(=O)O Z57825370 [0,0,0,0,1,0|1,0,0]=2 26 B14R1.3135 NCC1=C(C=CC=C1)CC(N)C(=O)O Z3210773710 [0,0,0,0,1,0|3,0,0]=4 27 B13R1.84 CNCCOC1=C(C=CC=C1)OC Z140171978 [2,0,0,0,0,0|2,0,0]=4 28 B13R1.84 COC1=C(C=CC=C1)NCCCO Z104593706 [2,0,0,0,0,0|1,0,1]=4 29 B13R1.84 COC1=C(C=CC=C1)OCCC#N Z54337532 [2,0,0,0,0,0|1,0,1]=4 30 B13R1.84 COC1=C(C=CC=C1)OCCCN Z271006104 [2,0,0,0,0,0|1,0,1]=4 31 B13R1.84 COC1=C(C=CC=C1)OCCCO Z425795906 [2,0,0,0,0,0|0,0,1]=3 32 B13R1.158 CC1=C(C=CC=C1)CNCC(=O)O Z763366336 [2,0,0,0,0,0|2,0,0]=4 33 B13R1.158 CC1=C(C=CC=C1)COCC(=O)O Z1251362361 [2,0,0,0,0,0|2,0,0]=4 34 B13R1.158 CC1=C(C=CC=C1)NCCC(=O)N Z68591167 [2,0,0,0,0,0|2,0,0]=4 35 B13R1.158 CC1=C(C=CC=C1)NCCC(=O)O Z56922066 [2,0,0,0,0,0|1,0,0]=3 36 B13R1.158 CC1=C(C=CC=C1)OCCC(=O)O Z56805748 [2,0,0,0,0,0|0,0,0]=2 37 B13R1.158 NC(=O)CCOC1=C(C=CC=C1)F Z33546164 [2,0,0,0,0,0|2,0,0]=4 38 B13R1.158 NC(=O)CCOC1=C(C=CC=C1)N Z382711142 [2,0,0,0,0,0|2,0,0]=4 39 B13R1.158 NC1=C(C=CC=C1)CCCC(=O)O Z1982493918 [2,0,0,0,0,0|2,0,0]=4 40 B13R1.158 O=C(O)CCCC1=C(C=CC=C1)Br Z1097106913 [2,0,0,0,0,0|2,0,0]=4 41 B13R1.158 O=C(O)CCCC1=C(C=CC=C1)Cl Z1209411177 [2,0,0,0,0,0|2,0,0]=4 42 B13R1.158 O=C(O)CCCC1=C(C=CC=C1)F Z1198171601 [2,0,0,0,0,0|2,0,0]=4 43 B13R1.158 O=C(O)CCOC1=C(C=CC=C1)Br Z295439184 [2,0,0,0,0,0|1,0,0]=3 44 B13R1.158 O=C(O)CCOC1=C(C=CC=C1)Cl Z206905212 [2,0,0,0,0,0|1,0,0]=3 45 B13R1.158 O=C(O)CCOC1=C(C=CC=C1)F Z56922157 [2,0,0,0,0,0|1,0,0]=3 46 B13R1.158 O=C(O)CCOC1=C(C=CC=C1)O Z1262518325 [2,0,0,0,0,0|0,0,0]=2 47 B13R1.158 O=C(O)CCSC1=C(C=CC=C1)Br Z293002250 [2,0,0,0,0,0|1,1,0]=4 48 B13R1.158 O=C(O)CCSC1=C(C=CC=C1)Cl Z56813499 [2,0,0,0,0,0|1,1,0]=4 49 B13R1.158 O=C(O)CCSC1=C(C=CC=C1)F Z103229718 [2,0,0,0,0,0|1,1,0]=4 50 B13R1.351 C=C(COC1=CC=CC=C1)C(=O)O Z1197868054 [2,0,0,0,0,0|1,0,1]=4 51 B13R1.351 CC(COC1=CC=CC=C1)C(=O)O Z425469932 [2,0,0,0,0,0|1,0,0]=3 52 B13R1.351 CC(CSC1=CC=CC=C1)C(=O)O Z431541708 [2,0,0,0,0,0|1,1,0]=4 53 B13R1.351 NC(CCC1=CC=CC=C1)C(=O)O Z317025074 [2,0,0,0,0,0|2,0,0]=4 54 B13R1.351 N[C@@H](CCC1=CC=CC=C1)C(=O)O Z1255434715 [2,0,0,0,0,0|2,0,0]=4 55 B13R1.351 N[C@H](CCC1=CC=CC=C1)C(=O)O Z1255399095 [2,0,0,0,0,0|2,0,0]=4 56 B13R1.351 O=C(O)C(O)CCC1=CC=CC=C1 Z1259340035 [2,0,0,0,0,0|1,0,0]=3 57 B13R1.90 CCC1=C(C=CC=C1)OCC(=O)O Z56827322 [2,0,0,0,0,0|1,0,1]=4 58 B13R1.90 COC1=C(C=CC=C1)CCC(=O)O Z56943761 [2,0,0,0,0,0|1,0,1]=4 59 B13R1.90 COC1=C(C=CC=C1)NCC(=O)O Z274534682 [2,0,0,0,0,0|1,0,1]=4 60 B13R1.90 COC1=C(C=CC=C1)OCC(=O)C Z19753986 [2,0,0,0,0,0|1,0,1]=4 61 B13R1.90 COC1=C(C=CC=C1)OCC(=O)O Z56867227 [2,0,0,0,0,0|0,0,1]=3 62 B13R1.90 COC1=C(C=CC=C1)OCC(C)N Z744843996 [2,0,0,0,0,0|1,0,1]=4 63 B13R1.90 COC1=C(C=CC=C1)SCC(=O)O Z802638514 [2,0,0,0,0,0|0,1,1]=4 64 B15R1.86 COC1=C(C=CC=C1)C(=O)NCC(=O)O Z56919208 [1,1,0,0,0,0|2,0,0]=4 65 B15R1.589 CCOC1=C(C=CC=C1)OCCC(=O)O Z56889405 [1,1,0,0,0,0|0,0,0]=2 66 B15R1.1145 COC1=C(C=CC=C1)CC(C)CC(=O)O Z606518460 [1,1,0,0,0,0|1,0,0]=3 67 B15R1.8882 CC(C)C1=C(C=CC=C1)OCCC(=O)O Z240085214 [1,1,0,0,0,0|1,0,0]=3 68 B15R1.8882 NC(=O)C1=C(C=CC=C1)OCCC(=O)O Z285229582 [1,1,0,0,0,0|2,0,0]=4 69 B15R1.8882 O=C(O)CCOC1=C(C=CC=C1)[N+](=O)[O-] Z224635790 [1,1,0,0,0,0|2,0,0]=4 70 B15R1.12845 COC1=C(C=C(C=C1)C)NCCC(=O)O Z359506154 [1,1,0,0,0,0|1,0,0]=3 71 B15R1.12845 COC1=C(C=C(C=C1)Cl)NCCC(=O)O Z763367866 [1,1,0,0,0,0|1,0,0]=3 72 B15R1.13063 COC1=C(C=CC(=C1)C)OCCC(=O)O Z281776722 [1,1,0,0,0,0|0,0,0]=2 73 B15R1.6616 C=C(COC1=C(C=CC=C1Br)C)C(=O)O Z3753116767 [1,1,0,0,0,0|1,0,1]=4 74 B15R1.273 CCOC1=C(C=CC=C1)OCC(O)CO Z1509558249 [1,1,0,0,0,0|0,0,1]=3 75 B15R1.1148 COC1=C(C=CC=C1)CC(CN)C(=O)O Z1480670558 [0,1,0,0,1,0|1,0,0]=3 76 B15R1.3793 COC1=C(C=C(C=C1)Br)CC(N)C(=O)O Z1262237273 [0,1,0,0,1,0|1,0,0]=3 77 B15R1.13051 COC1=C(C=CC=C1)CC(C)(C)C(=O)O Z995179786 [0,1,0,0,1,0|1,0,0]=3 78 B15R2.6 O=C(O)CCC1CCC2=C1C=CC=C2 Z1262511684 [1,0,0,1,0,0|2,0,0]=4 79 B15R2.629 CC1=C(OC2=C1C=CC=C2)CC(=O)O Z1262517748 [1,0,0,1,0,0|1,0,1]=4 80 B15R2.1245 O=C(O)C1CCC2=C(C=CC=C2)CC1 Z1618147942 [1,0,0,1,0,0|2,0,0]=4 81 B15R2.1668 O=C(O)CC1CCC2=C(C1)C=CC=C2 Z489292414 [1,0,0,1,0,0|2,0,0]=4 82 B15R2.1668 O=C(O)CC1CCC2=C(N1)C=CC=C2 Z3351996611 [1,0,0,1,0,0|2,0,0]=4 83 B15R2.1668 O=C(O)CC1CNC2=C(S1)C=CC=C2 Z368412990 [1,0,0,1,0,0|1,1,0]=4 84 B15R2.1668 O=C(O)CC1COC2=C(O1)C=CC=C2 Z1198164044 [1,0,0,1,0,0|0,0,0]=2 85 B15R2.1668 O=C(O)CC1CSC2=C(O1)C=CC=C2 Z1508956602 [1,0,0,1,0,0|0,1,0]=3 86 B15R2.4961 CCC1=C(C=CC=C1)[C@@H]2C[C@H]2C(=O)O Z2327124594 [1,0,0,1,0,0|2,0,0]=4 87 B15R2.4961 COC1=C(C=CC=C1)[C@@H]2C[C@H]2C(=O)O Z2242045589 [1,0,0,1,0,0|1,0,0]=3 88 B15R2.20806 COC1=C2CCCC(=O)NC2=CC=C1 Z1503180352 [1,0,0,1,0,0|2,0,0]=4 89 B15R2.20917 COC1=C2OC=C(C2=CC=C1)C(=O)O Z1267805636 [1,0,0,1,0,0|0,0,2]=4 90 B15R2.4244 NC(C(=O)O)C1CC2=C(C1)C=CC=C2 Z1255490566 [1,0,0,1,0,0|2,0,0]=4 91 B15R2.13598 NC1=C2OCC(CC2=CC=C1)C(=O)O Z2310723134 [1,0,0,1,0,0|2,0,0]=4 92 B15R2.13598 O=C(O)C1=CC2=C(OC1)C(=CC=C2)O Z228588778 [1,0,0,1,0,0|1,0,1]=4 93 B15R2.13598 O=C(O)C1COC2=C(C1)C=CC=C2O Z228588504 [1,0,0,1,0,0|1,0,0]=3 94 B15R2.16121 CC1(CCC2=C(C1)C=CC=C2)C(=O)O Z1259317548 [1,0,0,1,0,0|2,0,0]=4 95 B15R2.16121 CC1(COC2=C(O1)C=CC=C2)C(=O)O Z1262513004 [1,0,0,1,0,0|1,0,0]=3 96 B15R2.16121 NC1(CCC2=C(C1)C=CC=C2)C(=O)O Z489297664 [1,0,0,1,0,0|2,0,0]=4 97 B15R2.16121 NC1(COC2=C(C1)C=CC=C2)C(=O)O Z1813129890 [1,0,0,1,0,0|1,0,0]=3 98 B15R2.16121 O=C(O)C1(CCC2=C(C1)C=CC=C2)O Z788000922 [1,0,0,1,0,0|1,0,0]=3 99 B15R2.1237 O=C(O)C1CCCC2=C(C1)C=CC=C2 Z1262536404 [0,0,0,1,1,0|2,0,0]=4 100 B15R2.1237 O=C(O)C1CCNC2=C(C1)C=CC=C2 Z3768005323 [0,0,0,1,1,0|2,0,0]=4 101 B15R2.1255 NC(C(=O)O)C1CCC2=C1C=CC=C2 Z3267202784 [0,0,0,1,1,0|2,0,0]=4 102 B15R2.14951 CN1CC(CC2=C1C=CC=C2)C(=O)O Z1262530750 [0,0,0,1,1,0|2,0,0]=4 103 B15R2.14951 O=C1OC(CC2=C1C=CC=C2)C(=O)O Z56347259 [0,0,0,1,1,0|2,0,0]=4 104 B15R2.20824 COC1=C2CC(NC2=CC=C1)C(=O)O Z2805881506 [0,0,0,1,1,0|1,0,0]=3 105 B15R2.20824 COC1=C2OC(=CC2=CC=C1)C(=O)O Z111570848 [0,0,0,1,1,0|1,0,1]=4 106 B17R2.32720 CCOC1=C2OCC(=CC2=CC=C1)C(=O)O Z228589000 [0,1,0,1,0,0|1,0,1]=4 107 B17R2.32720 CCOC1=C2OCC(CC2=CC=C1)C(=O)O Z228588566 [0,1,0,1,0,0|1,0,0]=3 108 B17R2.63267 COC(=O)C1(CCC2=C(C=CC=C12)OC)N Z2941379075 [0,1,0,1,0,0|2,0,0]=4 109 B13R1.202 CC(CC1=C(C=CC=C1)Cl)C(=O)O Z513661398 [1,0,0,0,1,0|2,0,0]=4 110 B13R1.202 CC(CC1=C(C=CC=C1)F)C(=O)O Z513661176 [1,0,0,0,1,0|2,0,0]=4 111 B13R1.202 CC(OC1=C(C=CC=C1)Br)C(=O)O Z228583522 [1,0,0,0,1,0|2,0,0]=4 112 B13R1.202 CC(OC1=C(C=CC=C1)Cl)C(=O)O Z65532924 [1,0,0,0,1,0|2,0,0]=4 113 B13R1.202 CC(OC1=C(C=CC=C1)F)C(=O)O Z65532537 [1,0,0,0,1,0|2,0,0]=4 114 B13R1.202 CC1=C(C=CC=C1)CC(C)C(=O)O Z513660952 [1,0,0,0,1,0|1,0,0]=3 115 B13R1.202 CC1=C(C=CC=C1)OC(C)C(=O)N Z19733750 [1,0,0,0,1,0|2,0,0]=4 116 B13R1.202 NC(CC1=C(C=CC=C1)Br)C(=O)O Z2217033050 [1,0,0,0,1,0|2,0,0]=4 117 B13R1.202 NC(CC1=C(C=CC=C1)O)C(=O)O Z1065645436 [1,0,0,0,1,0|1,0,0]=3 118 B13R1.202 NC(CC1=C(N=CC=C1)O)C(=O)O Z3492296846 [1,0,0,0,1,0|2,0,0]=4 119 B13R1.202 O=C(O)C(O)CC1=C(C=CC=C1)Cl Z1269030424 [1,0,0,0,1,0|1,0,0]=3 120 B13R1.89 COC1=C(C=CC=C1)C(=O)C(=O)O Z1255489035 [0,0,0,0,2,0|0,0,2]=4 121 B13R1.89 COC1=C(C=CC=C1)C(N)C(=O)O Z317024652 [0,0,0,0,2,0|1,0,0]=3 122 B17R1.1421 COC1=C(C=CC=C1)OCC(O)COC(=O)N Z1521553984 [0,0,0,0,0,2|1,0,0]=3