0 B14R1.42 CC(=O)NNC1=CC=C(C(=C1)C=O)O CNP0149019.0 [0,0,0,0,0,0|4,0,0]=4 1 B14R1.42 COC1=C(C=CC(C1)C=CC(=O)O)O CNP0554430.0 [0,0,0,0,0,0|1,0,2]=3 2 B14R1.42 COC1=CC(=CC=C1C)C=CC(=O)O CNP0181271.0 [0,0,0,0,0,0|2,0,0]=2 3 B14R1.42 COC1=CC(=CC=C1O)C=CC(=O)C CNP0236688.0 [0,0,0,0,0,0|0,0,0]=0 4 B14R1.42 COC1=CC(=CC=C1O)C=CC(=O)N CNP0288547.0 [0,0,0,0,0,0|1,0,0]=1 5 B14R1.42 COC1=CC(=CC=C1O)C=CC(=O)O CNP0304940.0 [0,0,0,0,0,0|1,0,0]=1 6 B14R1.42 COC1=CC(=CC=C1O)C=CC(O)O CNP0100968.0 [0,0,0,0,0,0|1,0,2]=3 7 B14R1.42 COC1=CC(=CC=C1O)C=C[N+](=O)[O-] CNP0527150.0 [0,0,0,0,0,0|2,0,0]=2 8 B14R1.42 COC1=CC(=CC=C1O)CCC(=O)C CNP0193523.0 [0,0,0,0,0,0|0,0,2]=2 9 B14R1.42 COC1=CC(=CC=C1O)CCC(=O)O CNP0327265.0 [0,0,0,0,0,0|1,0,2]=3 10 B14R1.42 COC1=CC(=CC=C1O)CCN(C)C CNP0191233.0 [0,0,0,0,0,0|2,0,2]=4 11 B14R1.42 COC1=CC(=CC=C1O)CC[C@@H](C)O CNP0301157.2 [0,0,0,0,0,0|0,0,4]=4 12 B14R1.42 COC1=CC(=CC=C1O)CC[C@H](C)O CNP0301157.1 [0,0,0,0,0,0|0,0,4]=4 13 B14R1.42 O=CC1=CC(=CC=C1O)C=CC(=O)O CNP0137686.0 [0,0,0,0,0,0|3,0,0]=3 14 B13R1.511 CC(=O)C=CC1=CC=C(C(=C1)O)O CNP0261862.0 [1,0,0,0,0,0|0,0,0]=1 15 B13R1.511 CC(=O)CCC1=CC=C(C(=C1)O)O CNP0175802.0 [1,0,0,0,0,0|0,0,2]=3 16 B13R1.511 CC1=CC(=CC=C1O)C=CC(=O)O CNP0164069.0 [1,0,0,0,0,0|1,0,0]=2 17 B13R1.511 NC(=O)C=CC1=CC=C(C(=C1)O)O CNP0555794.0 [1,0,0,0,0,0|1,0,0]=2 18 B13R1.511 O=C(O)C=CC1=CC(=O)C(=O)C=C1 CNP0081893.0 [1,0,0,0,0,0|1,0,2]=4 19 B13R1.511 O=C(O)C=CC1=CC=C(C(=C1)Cl)Cl CNP0275534.0 [1,0,0,0,0,0|3,0,0]=4 20 B13R1.511 O=C(O)C=CC1=CC=C(C(=C1)O)O CNP0186784.0 [1,0,0,0,0,0|1,0,0]=2 21 B13R1.511 O=C(O)C=CC1C=CC(=C(C1)O)O CNP0489222.0 [1,0,0,0,0,0|1,0,2]=4 22 B13R1.511 O=C(O)CCC1=CC=C(C(=C1)O)O CNP0265756.0 [1,0,0,0,0,0|1,0,2]=4 23 B13R1.511 O=[N+]([O-])C=CC1=CC=C(C(=C1)O)O CNP0342199.0 [1,0,0,0,0,0|2,0,0]=3 24 B13R1.575 CCOCC1=CC=C(C(=C1)OC)O CNP0232060.0 [1,0,0,0,0,0|1,0,2]=4 25 B13R1.575 CNCCC1=CC=C(C(=C1)OC)O CNP0212498.0 [1,0,0,0,0,0|1,0,2]=4 26 B13R1.575 COC1=CC(=CC=C1O)C=CC=O CNP0326347.0 [1,0,0,0,0,0|0,0,0]=1 27 B13R1.575 COC1=CC(=CC=C1O)C=CCO CNP0239078.0 [1,0,0,0,0,0|0,0,2]=3 28 B13R1.575 COC1=CC(=CC=C1O)CC=C=O CNP0144019.0 [1,0,0,0,0,0|0,0,2]=3 29 B13R1.575 COC1=CC(=CC=C1O)CC=CO CNP0508330.0 [1,0,0,0,0,0|0,0,2]=3 30 B13R1.575 COC1=CC(=CC=C1O)CCC=O CNP0299379.0 [1,0,0,0,0,0|0,0,2]=3 31 B13R1.643 COC1=CC=CC(=C1)C=CC(=O)O CNP0263486.0 [1,0,0,0,0,0|1,0,0]=2 32 B13R1.643 COC1=CC=CC(=C1)C=C[N+](=O)[O-] CNP0478941.0 [1,0,0,0,0,0|2,0,0]=3 33 B13R1.643 COC1=CC=CC(=C1)CCC(=O)O CNP0181921.0 [1,0,0,0,0,0|1,0,2]=4 34 B15R1.392 COC1=C(C(=O)OC(=C1)C=CC(=O)C)C CNP0246164.0 [0,1,0,0,0,0|2,0,0]=3 35 B15R1.392 COC1=CC(=CC(=C1O)O)C=CC(=O)O CNP0201458.0 [0,1,0,0,0,0|1,0,0]=2 36 B15R1.392 COC1=CC(=CC(=C1O)O)C=CC(O)O CNP0584307.0 [0,1,0,0,0,0|1,0,2]=4 37 B15R1.392 COC1=CC(=CC(=C1O)O)CC=C(C)C CNP0400425.0 [0,1,0,0,0,0|1,0,1]=3 38 B15R1.392 COC1=CC(=CC(=C1O)O)CCC(=O)C CNP0230079.0 [0,1,0,0,0,0|0,0,2]=3 39 B15R1.531 C=CCC1=CC(=CC=C1O)C=CC(=O)O CNP0256349.0 [0,1,0,0,0,0|2,0,1]=4 40 B15R1.531 CCOC1=CC(=CC=C1O)C=C[N+](=O)[O-] CNP0487462.0 [0,1,0,0,0,0|2,0,0]=3 41 B15R1.531 NN=CC1=CC(=CC=C1O)C=CC(=O)O CNP0519660.0 [0,1,0,0,0,0|3,0,0]=4 42 B15R1.873 N=C(N)C1=CC(=CC=C1O)C=CC(=O)O CNP0235361.0 [0,1,0,0,0,0|3,0,0]=4 43 B15R1.873 NC(N)C1=CC(=CC=C1O)C=CC(=O)O CNP0446624.0 [0,1,0,0,0,0|3,0,0]=4 44 B15R1.1803 COC1=CC(=C(C=C1O)O)C=CC(=O)O CNP0117360.0 [0,1,0,0,0,0|1,0,0]=2 45 B15R1.4037 COC1=CC(=CC=C1O)C(=O)OC(C)C CNP0266121.0 [0,1,0,0,0,0|2,0,1]=4 46 B15R1.4038 COC1=CC(=CC=C1O)C=C(C)C(=O)C CNP0126027.0 [0,1,0,0,0,0|0,0,0]=1 47 B15R1.4038 COC1=CC(=CC=C1O)C=C(O)C(=O)O CNP0585480.0 [0,1,0,0,0,0|1,0,0]=2 48 B15R1.4038 COC1=CC(=CC=C1O)CC(=O)C(=O)O CNP0182576.0 [0,1,0,0,0,0|1,0,1]=3 49 B15R1.4038 COC1=CC(=CC=C1O)CC(=S)C(=O)O CNP0455983.0 [0,1,0,0,0,0|1,0,1]=3 50 B15R1.4038 COC1=CC(=CC=C1O)CC(O)C(=O)O CNP0084890.0 [0,1,0,0,0,0|1,0,2]=4 51 B15R1.4038 COC1=CC(=CC=C1O)C[C@@H](C)C(=O)O CNP0148942.1 [0,1,0,0,0,0|1,0,2]=4 52 B15R1.4038 COC1=CC(=CC=C1O)C[C@H](N)C(=O)O CNP0192186.1 [0,1,0,0,0,0|1,0,2]=4 53 B15R1.4039 CCC(=O)CCC1=CC=C(C(=C1)OC)O CNP0158112.0 [0,1,0,0,0,0|0,0,2]=3 54 B15R1.4039 COC(=O)C=CC1=CC=C(C(=C1)C=O)O CNP0214902.0 [0,1,0,0,0,0|2,0,0]=3 55 B15R1.4039 COC(=O)C=CC1=CC=C(C(=C1)OC)O CNP0386472.0 [0,1,0,0,0,0|0,0,0]=1 56 B15R1.4039 COC(=O)CCC1=CC=C(C(=C1)OC)O CNP0315418.0 [0,1,0,0,0,0|0,0,2]=3 57 B15R1.12854 COC1=CC=C(C=C1OC)/C=C/[C@H](C)O CNP0205385.1 [0,1,0,0,0,0|0,0,2]=3 58 B15R1.12854 COC1=CC=C(C=C1OC)C=CC(=O)N CNP0348149.0 [0,1,0,0,0,0|1,0,0]=2 59 B15R1.12854 COC1=CC=C(C=C1OC)C=CC(=O)O CNP0235910.0 [0,1,0,0,0,0|1,0,0]=2 60 B15R1.12854 COC1=CC=C(C=C1OC)C=C[N+](=O)[O-] CNP0591112.0 [0,1,0,0,0,0|2,0,0]=3 61 B15R1.12854 COC1=CC=C(C=C1OC)CCC(=O)C CNP0267914.0 [0,1,0,0,0,0|0,0,2]=3 62 B15R1.12854 COC1=CC=C(C=C1OC)CCC(=O)N CNP0339075.0 [0,1,0,0,0,0|1,0,2]=4 63 B15R1.12854 COC1=CC=C(C=C1OC)CCC(=O)O CNP0228435.0 [0,1,0,0,0,0|1,0,2]=4 64 B15R2.1754 COC1=CC2=C(C=C1O)OC(=O)C=C2 CNP0184442.0 [0,0,0,1,0,0|1,0,0]=2 65 B15R2.1754 COC1=CC2=C(C=C1O)OC(=O)CC2 CNP0423453.0 [0,0,0,1,0,0|1,0,2]=4 66 B15R2.1754 COC1=CC2=CC=C(N=C2C=C1O)O CNP0575564.0 [0,0,0,1,0,0|1,0,1]=3 67 B15R2.1754 O=CC1=CC2=C(C=C1O)OC(=O)C=C2 CNP0301461.0 [0,0,0,1,0,0|3,0,0]=4 68 B15R2.4520 COC1=CC(=CC=C1O)C=C2OC2O CNP0482321.0 [0,0,0,1,0,0|1,0,2]=4 69 B15R2.7688 CC(=O)C=CC1=CC=C2C=CNC2=C1 CNP0346334.0 [0,0,0,1,0,0|2,0,1]=4 70 B15R2.7688 CC(=O)C=CC1=CC=C2NC=CC2=C1 CNP0146672.0 [0,0,0,1,0,0|2,0,1]=4 71 B15R2.7688 CC(=O)CCC1=CC=C2OCOC2=C1 CNP0147307.0 [0,0,0,1,0,0|0,0,2]=3 72 B15R2.7688 CC(=O)OCC1=CC=C2OCOC2=C1 CNP0415728.0 [0,0,0,1,0,0|1,0,1]=3 73 B15R2.7688 O=C(O)C=CC1=CC=C2OCOC2=C1 CNP0363442.0 [0,0,0,1,0,0|1,0,0]=2 74 B15R2.36352 COC1=C(C=CC2=C1OC(=O)C=C2)O CNP0130357.0 [0,0,0,1,0,0|1,0,0]=2 75 B15R2.36352 O=CC1=C(C=CC2=C1OC(=O)C=C2)O CNP0127749.0 [0,0,0,1,0,0|3,0,0]=4 76 B13R1.52 COC1=CC(=CC=C1Br)CC(=O)O CNP0473704.0 [0,0,0,0,1,0|2,0,1]=4 77 B13R1.52 COC1=CC(=CC=C1O)CC(=O)C CNP0185438.0 [0,0,0,0,1,0|0,0,1]=2 78 B13R1.52 COC1=CC(=CC=C1O)CC(=O)O CNP0188137.0 [0,0,0,0,1,0|1,0,1]=3 79 B13R1.52 COC1=CC(=CC=C1O)CC(C)N CNP0310601.0 [0,0,0,0,1,0|1,0,2]=4 80 B13R1.52 COC1=CC(=CC=C1O)C[C@H](C)O CNP0207715.1 [0,0,0,0,1,0|0,0,3]=4 81 B15R1.4030 COC1=CC(=CC=C1O)C=CCC(=O)O CNP0376259.0 [0,0,0,0,0,1|1,0,0]=2 82 B15R1.4030 COC1=CC(=CC=C1O)CCCC(=O)C CNP0313182.0 [0,0,0,0,0,1|0,0,2]=3 83 B15R1.4030 COC1=CC(=CC=C1O)CCCC(=O)O CNP0075877.0 [0,0,0,0,0,1|1,0,2]=4 84 B15R1.4030 COC1=CC(=CC=C1O)CCOC(=O)C CNP0089238.0 [0,0,0,0,0,1|0,0,2]=3 85 B12R0.42 CC(=O)C=CC=CC=C(C)C(=O)C CNP0480228.0 [1,0,1,0,0,0|2,0,0]=4 86 B12R1.21 CC(=O)C=CC1=CC=C(C=C1)O CNP0238281.0 [2,0,0,0,0,0|0,0,0]=2 87 B12R1.21 CC(=O)CCC1=CC=C(C=C1)O CNP0218694.0 [2,0,0,0,0,0|0,0,2]=4 88 B12R1.21 CC(=O)NCC1=CC=C(C=C1)O CNP0325229.0 [2,0,0,0,0,0|1,0,1]=4 89 B12R1.21 CC1=CC=C(C=C1)C=CC(=O)O CNP0158019.0 [2,0,0,0,0,0|2,0,0]=4 90 B12R1.21 NC(=O)C=CC1=CC=C(C=C1)Cl CNP0552238.0 [2,0,0,0,0,0|2,0,0]=4 91 B12R1.21 NC(=O)C=CC1=CC=C(C=C1)O CNP0070658.0 [2,0,0,0,0,0|1,0,0]=3 92 B12R1.21 O=C(O)C=CC1=CC=C(C=C1)Br CNP0594784.0 [2,0,0,0,0,0|2,0,0]=4 93 B12R1.21 O=C(O)C=CC1=CC=C(C=C1)Cl CNP0031776.0 [2,0,0,0,0,0|2,0,0]=4 94 B12R1.21 O=C(O)C=CC1=CC=C(C=C1)O CNP0255341.0 [2,0,0,0,0,0|1,0,0]=3 95 B12R1.21 O=[N+]([O-])C=CC1=CC=C(C=C1)O CNP0507113.0 [2,0,0,0,0,0|2,0,0]=4 96 B12R1.226 CC(=O)OCC1=CC=CC(=C1)C CNP0002410.0 [2,0,0,0,0,0|1,0,1]=4 97 B12R1.226 O=C(O)C=CC1=CC=CC(=C1)Br CNP0574767.0 [2,0,0,0,0,0|2,0,0]=4 98 B12R1.226 O=C(O)C=CC1=CC=CC(=C1)Cl CNP0394142.0 [2,0,0,0,0,0|2,0,0]=4 99 B12R1.226 O=C(O)C=CC1=CC=CC(=C1)O CNP0335428.0 [2,0,0,0,0,0|1,0,0]=3 100 B12R1.385 COC=CC1=CC=C(C(=C1)O)O CNP0132109.0 [2,0,0,0,0,0|1,0,0]=3 101 B12R1.385 O=CC=CC1=CC=C(C(=C1)O)O CNP0169964.0 [2,0,0,0,0,0|0,0,0]=2 102 B12R1.385 OCC=CC1=CC=C(C(=C1)O)O CNP0214486.0 [2,0,0,0,0,0|0,0,2]=4 103 B12R1.286 C=CCC1=CC=C(C(=C1)OC)O CNP0134292.0 [2,0,0,0,0,0|0,0,1]=3 104 B12R1.286 CC#CC1=CC=C(C(=C1)OC)O CNP0612156.0 [2,0,0,0,0,0|0,0,2]=4 105 B12R1.286 CC=CC1=CC=C(C(=C1)OC)O CNP0315621.0 [2,0,0,0,0,0|0,0,0]=2 106 B12R1.286 CCC1=CC(=CC=C1O)NC=O CNP0272770.0 [2,0,0,0,0,0|2,0,0]=4 107 B12R1.286 CCCC1=CC=C(C(=C1)OC)O CNP0321309.0 [2,0,0,0,0,0|0,0,2]=4 108 B12R1.286 COC1=CC(=CC=C1O)C=CO CNP0237756.0 [2,0,0,0,0,0|0,0,1]=3 109 B12R1.286 COC1=CC(=CC=C1O)C=NO CNP0416336.0 [2,0,0,0,0,0|1,0,1]=4 110 B12R1.286 COC1=CC(=CC=C1O)CC=O CNP0262632.0 [2,0,0,0,0,0|0,0,1]=3 111 B12R1.286 COCC1=CC=C(C(=C1)OC)O CNP0276003.0 [2,0,0,0,0,0|1,0,1]=4 112 B14R1.686 CC(=CC1=CC=C(C(=C1)O)O)C(=O)O CNP0080811.0 [1,1,0,0,0,0|1,0,0]=3 113 B14R1.686 N=C(CC1=CC=C(C(=C1)O)O)C(=O)O CNP0486723.0 [1,1,0,0,0,0|1,0,1]=4 114 B14R1.686 O=C(O)C(=CC1=CC=C(C(=C1)O)O)O CNP0487192.0 [1,1,0,0,0,0|1,0,0]=3 115 B14R1.686 O=C(O)C(=O)CC1=CC=C(C(=C1)O)O CNP0017898.0 [1,1,0,0,0,0|1,0,1]=4 116 B14R1.833 COC(=O)C=CC1=CC=C(C(=C1)O)O CNP0274791.0 [1,1,0,0,0,0|0,0,0]=2 117 B14R1.833 COC(=O)CCC1=CC=C(C(=C1)O)O CNP0198337.0 [1,1,0,0,0,0|0,0,2]=4 118 B14R1.3653 COC1=CC=C(C=C1O)C=CC(=O)N CNP0436701.0 [1,1,0,0,0,0|1,0,0]=3 119 B14R1.3653 COC1=CC=C(C=C1O)C=CC(=O)O CNP0283368.0 [1,1,0,0,0,0|1,0,0]=3 120 B14R1.3653 COC1=CC=C(C=C1O)C=C[N+](=O)[O-] CNP0538537.0 [1,1,0,0,0,0|2,0,0]=4 121 B14R1.3653 COC1=CC=C(C=C1O)CCC(=O)C CNP0128440.0 [1,1,0,0,0,0|0,0,2]=4 122 B14R1.6036 CC(=O)C=CC1=CC(=C(C=C1Br)O)O CNP0131482.0 [1,1,0,0,0,0|0,0,0]=2 123 B14R1.6036 O=C(O)C=CC1=CC(=C(C=C1O)O)O CNP0134128.0 [1,1,0,0,0,0|1,0,0]=3 124 B14R1.6059 CC(=O)C=CC1=CC=C(C(=C1C)C)C CNP0175849.0 [1,1,0,0,0,0|1,0,0]=3 125 B14R1.6059 O=C(O)C=CC1=CC=C(C(=C1O)O)O CNP0021879.0 [1,1,0,0,0,0|1,0,0]=3 126 B14R1.15552 CC(=O)C=CC1=CC(=C(C(=C1)Br)O)O CNP0163311.0 [1,1,0,0,0,0|0,0,0]=2 127 B14R1.15552 O=C(O)C=CC1=CC(=C(C(=C1)Br)O)Br CNP0221881.0 [1,1,0,0,0,0|2,0,0]=4 128 B14R1.15552 O=C(O)C=CC1=CC(=C(C(=C1)O)O)O CNP0399658.0 [1,1,0,0,0,0|1,0,0]=3 129 B14R1.626 CCOC(=O)C1=CC=C(C(=C1)OC)O CNP0205882.0 [1,1,0,0,0,0|1,0,1]=4 130 B14R1.793 C=CC=CC1=CC=C(C(=C1)OC)OC CNP0228103.0 [1,1,0,0,0,0|0,0,1]=3 131 B14R1.793 CCC=CC1=CC=C(C(=C1)OC)OC CNP0242434.0 [1,1,0,0,0,0|0,0,1]=3 132 B14R1.793 COC1=C(CC(C=C1)C=CC=O)OC CNP0170226.0 [1,1,0,0,0,0|0,0,2]=4 133 B14R1.793 COC1=C(C[C@H](C=C1)/C=C/C=O)OC CNP0170226.2 [1,1,0,0,0,0|0,0,2]=4 134 B14R1.793 COC1=C(C[C@H](C=C1)C=CC=O)OC CNP0170226.1 [1,1,0,0,0,0|0,0,2]=4 135 B14R1.793 COC1=CC=C(C=C1OC)C=CC=O CNP0207087.0 [1,1,0,0,0,0|0,0,0]=2 136 B14R1.793 COC1=CC=C(C=C1OC)C=CCO CNP0294314.0 [1,1,0,0,0,0|0,0,2]=4 137 B14R1.793 COC1=CC=C(C=C1OC)CCC=O CNP0567000.0 [1,1,0,0,0,0|0,0,2]=4 138 B14R1.793 COC=CC1=CC=C(C(=C1)OC)OC CNP0222543.0 [1,1,0,0,0,0|1,0,0]=3 139 B14R1.907 COC1=CC(=CC=C1O)C=CCCO CNP0102415.0 [1,1,0,0,0,0|0,0,1]=3 140 B14R1.907 COC1=CC(=CC=C1O)C=COOO CNP0421749.0 [1,1,0,0,0,0|1,0,1]=4 141 B14R1.907 COCC=CC1=CC=C(C(=C1)OC)O CNP0141712.0 [1,1,0,0,0,0|0,0,1]=3 142 B14R1.3405 COC(=O)CC1=CC=C(C(=C1)OC)O CNP0561542.0 [1,1,0,0,0,0|1,0,1]=4 143 B14R1.7499 COC1=CC(=CC(=C1O)O)C=CC=O CNP0274631.0 [1,1,0,0,0,0|0,0,0]=2 144 B14R1.7499 COC1=CC(=CC(=C1O)O)C=CCO CNP0359831.0 [1,1,0,0,0,0|0,0,2]=4 145 B14R1.7499 COC1=CC(=CC(=C1O)O)CCC=O CNP0423618.0 [1,1,0,0,0,0|0,0,2]=4 146 B14R1.81 COC1=CC=CC(=C1O)C=CC(=O)C CNP0581231.0 [1,1,0,0,0,0|0,0,0]=2 147 B14R1.81 COC1=CC=CC(=C1O)C=CC(=O)O CNP0156620.0 [1,1,0,0,0,0|1,0,0]=3 148 B14R1.468 CCOC1=CC=CC(=C1)C=CC(=O)O CNP0515265.0 [1,1,0,0,0,0|1,0,0]=3 149 B14R1.2335 COC1=CC=C(C(=C1)C=CC(=O)O)O CNP0318465.0 [1,1,0,0,0,0|1,0,0]=3 150 B14R1.2335 COC1=CC=C(C(=C1)CC=C(C)C)O CNP0312257.0 [1,1,0,0,0,0|1,0,1]=4 151 B14R1.41 COC1=CC(=CC=C1O)C(=O)C(=O)C CNP0236000.0 [0,1,0,0,1,0|0,0,0]=2 152 B14R1.41 COC1=CC(=CC=C1O)C(=O)C(=O)N CNP0209538.0 [0,1,0,0,1,0|1,0,0]=3 153 B14R1.41 COC1=CC(=CC=C1O)C(=O)[C@@H](C)O CNP0103106.2 [0,1,0,0,1,0|0,0,2]=4 154 B14R1.41 COC1=CC(=CC=C1O)C(=O)[C@H](C)O CNP0103106.1 [0,1,0,0,1,0|0,0,2]=4 155 B14R1.41 COC1=CC(=CC=C1O)C(C)C(=O)O CNP0551476.0 [0,1,0,0,1,0|1,0,1]=4 156 B14R1.41 COC1=CC(=CC=C1O)[C@@H](O)C(=O)C CNP0150504.1 [0,1,0,0,1,0|0,0,1]=3 157 B14R1.41 COC1=CC(=CC=C1O)[C@@H](O)C(=O)O CNP0259735.2 [0,1,0,0,1,0|1,0,1]=4 158 B14R1.41 COC1=CC(=CC=C1O)[C@H](O)C(=O)O CNP0259735.1 [0,1,0,0,1,0|1,0,1]=4 159 B14R1.705 CC(=O)NC1=CC=C(C(=C1)C(=O)C)O CNP0035331.0 [0,1,0,0,1,0|2,0,0]=4 160 B14R1.3651 COC1=CC=C(C=C1OC)CC(=O)C CNP0169719.0 [0,1,0,0,1,0|0,0,1]=3 161 B14R1.3651 COC1=CC=C(C=C1OC)CC(=O)O CNP0212917.0 [0,1,0,0,1,0|1,0,1]=4 162 B16R1.4275 COC1=CC=C(C=C1OC)CCNC(=O)C CNP0318901.0 [0,1,0,0,0,1|0,0,2]=4 163 B16R1.4708 COC(=O)C=CCC1=CC=C(C(=C1)OC)O CNP0174985.0 [0,1,0,0,0,1|0,0,0]=2 164 B16R1.4709 COC1=CC(=CC=C1O)C(=O)NCC(=O)O CNP0320579.0 [0,1,0,0,0,1|1,0,1]=4 165 B16R1.4728 COC1=CC(=CC=C1O)C=CCS(=O)(=O)O CNP0458953.0 [0,1,0,0,0,1|2,0,0]=4 166 B16R1.404 COC1=C(C(=O)OC(=C1)C(=CC(=O)C)C)C CNP0338313.0 [0,2,0,0,0,0|2,0,0]=4 167 B16R1.407 COC(=O)C=CC1=CC(=C(C(=C1)OC)O)O CNP0264196.0 [0,2,0,0,0,0|0,0,0]=2 168 B16R1.414 COC1=CC(=CC(=C1OC)O)CCC(=O)C CNP0336818.0 [0,2,0,0,0,0|0,0,2]=4 169 B16R1.423 COC1=CC(=CC(=C1O)OC)C=CC(=O)C CNP0333338.0 [0,2,0,0,0,0|0,0,0]=2 170 B16R1.423 COC1=CC(=CC(=C1O)OC)C=CC(=O)N CNP0297455.0 [0,2,0,0,0,0|1,0,0]=3 171 B16R1.423 COC1=CC(=CC(=C1O)OC)C=CC(=O)O CNP0195904.0 [0,2,0,0,0,0|1,0,0]=3 172 B16R1.423 COC1=CC(=CC(=C1O)OC)CCC(=O)C CNP0296503.0 [0,2,0,0,0,0|0,0,2]=4 173 B16R1.20030 COC(=O)CCC1=CC(=C(C=C1O)O)OC CNP0133873.0 [0,2,0,0,0,0|0,0,2]=4 174 B16R1.27701 C=CC(C)(C)C=CC1=CC=C(C(=C1)OC)O CNP0175621.0 [0,2,0,0,0,0|1,0,1]=4 175 B16R1.4727 COC(=O)C[C@@H](O)C1=CC=C(C(=C1)OC)O CNP0129029.1 [0,2,0,0,0,0|0,0,2]=4 176 B16R1.4731 COC1=CC(=CC=C1O)[C@@H](O)[C@@H](C)C(=O)C CNP0214189.1 [0,2,0,0,0,0|0,0,2]=4 177 B16R1.4274 COC1=CC=C(C=C1OC)C=C(S)C(=O)O CNP0549764.0 [0,2,0,0,0,0|1,0,0]=3 178 B16R1.4274 COC1=CC=C(C=C1OC)CC(=O)C(=O)O CNP0018846.0 [0,2,0,0,0,0|1,0,1]=4 179 B16R1.4763 COC1=CC(=CC=C1O)CC(=NO)C(=O)O CNP0460736.0 [0,2,0,0,0,0|1,0,1]=4 180 B16R1.4276 COC(=O)C=CC1=CC=C(C(=C1)OC)OC CNP0218465.0 [0,2,0,0,0,0|0,0,0]=2 181 B16R1.4276 COC(=O)CCC1=CC=C(C(=C1)OC)OC CNP0324980.0 [0,2,0,0,0,0|0,0,2]=4 182 B16R1.4276 COC1=CC=C(C=C1OC)/C=C/[C@H](O)CO CNP0229573.1 [0,2,0,0,0,0|0,0,2]=4 183 B16R1.15083 CCCC(=O)CCC1=CC=C(C(=C1)OC)O CNP0609960.0 [0,2,0,0,0,0|0,0,2]=4 184 B16R1.15083 CCCC(=O)NCC1=CC=C(C(=C1)OC)O CNP0174048.0 [0,2,0,0,0,0|1,0,1]=4 185 B16R1.15083 CCOC(=O)C=CC1=CC=C(C(=C1)OC)O CNP0259003.0 [0,2,0,0,0,0|0,0,0]=2 186 B16R1.9381 CCOC1=CC=C(C=C1OC)C=CC(=O)O CNP0454993.0 [0,2,0,0,0,0|1,0,0]=3 187 B14R1.563 COC1=CC(=CC(=C1O)C(=O)O)C=O CNP0276705.0 [0,0,1,1,0,0|2,0,0]=4 188 B14R2.4513 O=C1C=CC2=CC=C(C(=C2O1)O)O CNP0205963.0 [1,0,0,1,0,0|1,0,0]=3 189 B14R2.8239 CC1=CC2=C(C=C1O)OC(=O)C=C2 CNP0356490.0 [1,0,0,1,0,0|1,0,0]=3 190 B14R2.8239 CC1=CC2=C(C=CC(=O)O2)C=C1O CNP0231681.0 [1,0,0,1,0,0|2,0,0]=4 191 B14R2.8239 CC1=CC=C2C=C(C(=CC2=C1)C)C CNP0159718.0 [1,0,0,1,0,0|2,0,0]=4 192 B14R2.8239 O=C1C=CC2=CC(=C(C=C2O1)O)Cl CNP0038705.0 [1,0,0,1,0,0|2,0,0]=4 193 B14R2.8239 O=C1C=CC2=CC(=C(C=C2O1)O)O CNP0386988.0 [1,0,0,1,0,0|1,0,0]=3 194 B14R2.991 CC=COC1=CC=C2OCOC2=C1 CNP0085699.0 [1,0,0,1,0,0|1,0,0]=3 195 B14R2.991 O=CC=CC1=CC=C2OCOC2=C1 CNP0233065.0 [1,0,0,1,0,0|0,0,0]=2 196 B14R2.991 OCC=CC1=CC=C2OCOC2=C1 CNP0320631.0 [1,0,0,1,0,0|0,0,2]=4 197 B14R2.1128 COC1=CC2=C(C=C1O)OC=CC2 CNP0132369.0 [1,0,0,1,0,0|0,0,2]=4 198 B14R2.1128 COC1=CC2=CC=CC=C2C=C1O CNP0565978.0 [1,0,0,1,0,0|0,0,1]=3 199 B14R2.1128 COC1=CC2=CC=NC=C2C=C1O CNP0040035.0 [1,0,0,1,0,0|1,0,1]=4 200 B14R2.3822 COC1=C(C=CC2=C1C(=O)OC2)O CNP0259149.0 [1,0,0,1,0,0|1,0,1]=4 201 B14R2.2332 COC1=CC=C2N=C(C=CC2=C1)C CNP0021947.0 [1,0,0,1,0,0|1,0,0]=3 202 B14R2.2332 COC1=CC=C2OC(=O)C=CC2=C1 CNP0309169.0 [1,0,0,1,0,0|1,0,0]=3 203 B14R2.11684 CCC1=CC=CC2=CC=C(N=C12)C CNP0397522.0 [1,0,0,1,0,0|2,0,0]=4 204 B14R2.11684 COC1=CC=CC2=C1OC(=O)C=C2 CNP0331966.0 [1,0,0,1,0,0|1,0,0]=3 205 B14R2.11684 COC1=CC=CC2=CC=C(N=C12)C CNP0080173.0 [1,0,0,1,0,0|1,0,0]=3 206 B14R2.1008 O=C(O)CC1=CC=C2OCOC2=C1 CNP0369683.0 [0,0,0,1,1,0|1,0,1]=4 207 B16R2.27160 NC(=O)NN=CC1=CC=C2OCOC2=C1 CNP0056664.0 [0,0,0,1,0,1|2,0,0]=4 208 B16R2.36472 COC1=CC2=C(OC(=O)C=C2)C(=C1O)O CNP0295922.0 [0,1,0,1,0,0|1,0,0]=3 209 B16R2.36472 COC1=CC2=C(OC(=O)C=C2)C(=O)C1O CNP0541256.0 [0,1,0,1,0,0|1,0,1]=4 210 B16R2.70912 COC1=C(C(=CC2=C1OC(=O)C=C2)O)O CNP0236723.0 [0,1,0,1,0,0|1,0,0]=3 211 B16R2.477 O=C(O)C=CC1=CC=C2OCCOC2=C1 CNP0537512.0 [0,1,0,1,0,0|1,0,0]=3 212 B16R2.6501 O=C1C=CC2=CC(=C(C=C2O1)O)CCO CNP0141954.0 [0,1,0,1,0,0|2,0,0]=4 213 B16R2.366387 O=C1C=CC2=CC=C(C(=C2O1)CCO)O CNP0309591.0 [0,1,0,1,0,0|2,0,0]=4 214 B16R2.12045 CC(=O)C1=C(C=CC2=C1OC(=O)C=C2)O CNP0079780.0 [0,1,0,1,0,0|2,0,0]=4 215 B16R2.23520 CC(=O)C1=CC2=C(C=C1O)OC(=O)C=C2 CNP0070122.0 [0,1,0,1,0,0|2,0,0]=4 216 B16R2.41208 CCC1=CC2=C(C=C1O)OC(=O)C=C2C CNP0198875.0 [0,1,0,1,0,0|2,0,0]=4 217 B16R2.41208 COC1=CC2=C(C=C(OC2=O)C)C=C1O CNP0216150.0 [0,1,0,1,0,0|2,0,0]=4 218 B16R2.41208 COC1=CC2=C(C=C1Cl)OC(=O)C=C2C CNP0532373.0 [0,1,0,1,0,0|2,0,0]=4 219 B16R2.6257 CC(=O)[C@@H](C)CC1=CC=C2OCOC2=C1 CNP0310936.1 [0,1,0,1,0,0|0,0,2]=4 220 B16R2.1357 COC(=O)C=CC1=CC=C2OC=CC2=C1 CNP0244083.0 [0,1,0,1,0,0|1,0,1]=4 221 B16R2.1357 COC(=O)C=CC1=CC=C2OCOC2=C1 CNP0236067.0 [0,1,0,1,0,0|0,0,0]=2 222 B16R2.1679 COC1=CC2=C(C=C1O)C(=O)N(C=C2)C CNP0222064.0 [0,1,0,1,0,0|1,0,0]=3 223 B16R2.1679 COC1=CC2=CC=[N+](C(=C2C=C1O)C)C CNP0487456.0 [0,1,0,1,0,0|2,0,0]=4 224 B16R2.8632 COC1=C(C=C2OC(=O)C=CC2=C1O)O CNP0135285.0 [0,1,0,1,0,0|1,0,0]=3 225 B16R2.1461 COC1=CC2=C(C=C1OC)CC(=O)C=C2 CNP0535989.0 [0,1,0,1,0,0|0,0,0]=2 226 B16R2.1461 COC1=CC2=C(C=C1OC)CC(=O)NC2 CNP0009867.0 [0,1,0,1,0,0|1,0,1]=4 227 B16R2.1461 COC1=CC2=C(C=C1OC)CC(=O)OC2 CNP0365712.0 [0,1,0,1,0,0|1,0,1]=4 228 B16R2.1461 COC1=CC2=C(C=C1OC)CN(C=C2)C CNP0537387.0 [0,1,0,1,0,0|2,0,0]=4 229 B16R2.1461 COC1=CC2=C(C=C1OC)OC(=O)C=C2 CNP0286100.0 [0,1,0,1,0,0|1,0,0]=3 230 B16R2.1461 COC1=CC2=CC=[N+](C=C2C=C1OC)C CNP0591806.0 [0,1,0,1,0,0|2,0,0]=4 231 B16R2.7475 COC1=CC=C2C=CC(=O)OC2=C1OC CNP0290927.0 [0,1,0,1,0,0|1,0,0]=3 232 B16R3.10840 C[N+]1=CC=C2C=C3OCOC3=CC2=C1 CNP0601604.0 [0,0,0,2,0,0|2,0,0]=4 233 B16R3.10840 O=C1C=CC2=CC3=C(C=C2O1)OCC3 CNP0256160.0 [0,0,0,2,0,0|2,0,0]=4 234 B16R3.10840 O=C1C=CC2=CC3=C(C=C2O1)OCO3 CNP0318225.0 [0,0,0,2,0,0|1,0,0]=3 235 B16R3.11020 O=C1C=CC2=CC=C3OCCC3=C2O1 CNP0328661.0 [0,0,0,2,0,0|2,0,0]=4 236 B16R3.11020 O=C1C=CC2=CC=C3OCOC3=C2O1 CNP0384264.0 [0,0,0,2,0,0|1,0,0]=3 237 B12R1.19 C=C(C)C=C1C=CC(=O)C(=C1)C CNP0342367.0 [1,0,0,0,1,0|1,0,1]=4 238 B12R1.19 CC(=O)CC1=CC=C(C(=C1)O)O CNP0097636.0 [1,0,0,0,1,0|0,0,1]=3 239 B12R1.19 CC(=O)OC1=CC=C(C(=C1)C)O CNP0297817.0 [1,0,0,0,1,0|1,0,0]=3 240 B12R1.19 CC(=O)OC1=CC=C(C(=C1)O)O CNP0238472.0 [1,0,0,0,1,0|1,0,0]=3 241 B12R1.19 CC1=CC(=CC=C1O)CC(=O)O CNP0116223.0 [1,0,0,0,1,0|1,0,1]=4 242 B12R1.19 NC(=O)CC1=CC=C(C(=C1)O)O CNP0087042.0 [1,0,0,0,1,0|1,0,1]=4 243 B12R1.19 O=C(O)CC1=CC=C(C(=C1)O)O CNP0276169.0 [1,0,0,0,1,0|1,0,1]=4 244 B12R1.438 CCC1=CC=CC(=C1)OC(=O)C CNP0076431.0 [1,0,0,0,1,0|2,0,0]=4 245 B12R1.438 COC1=CC=CC(=C1)CC(=O)O CNP0272560.0 [1,0,0,0,1,0|1,0,1]=4 246 B12R1.56 C=C(C)C1=CC=C(C(=C1)OC)C CNP0254908.0 [0,0,0,0,2,0|2,0,0]=4 247 B12R1.56 C=C(C)C1=CC=C(C(=C1)OC)O CNP0208361.0 [0,0,0,0,2,0|1,0,0]=3 248 B12R1.56 CC(=O)C1=CC=C(C(=C1)C=O)O CNP0387842.0 [0,0,0,0,2,0|2,0,0]=4 249 B12R1.56 CCC1=CC(=CC=C1O)C(=O)O CNP0121187.0 [0,0,0,0,2,0|2,0,0]=4 250 B12R1.56 COC1=CC(=CC=C1C)C(=O)C CNP0017950.0 [0,0,0,0,2,0|1,0,0]=3 251 B12R1.56 COC1=CC(=CC=C1C)C(=O)O CNP0497367.0 [0,0,0,0,2,0|2,0,0]=4 252 B12R1.56 COC1=CC(=CC=C1N)C(=O)O CNP0018066.0 [0,0,0,0,2,0|2,0,0]=4 253 B12R1.56 COC1=CC(=CC=C1O)C(=O)C CNP0219031.0 [0,0,0,0,2,0|0,0,0]=2 254 B12R1.56 COC1=CC(=CC=C1O)C(=O)N CNP0200127.0 [0,0,0,0,2,0|1,0,0]=3 255 B12R1.56 COC1=CC(=CC=C1O)C(=O)O CNP0122021.0 [0,0,0,0,2,0|1,0,0]=3 256 B12R1.56 COC1=CC(=CC=C1O)C(=O)[O-] CNP0564199.0 [0,0,0,0,2,0|1,0,0]=3 257 B12R1.56 COC1=CC(=CC=C1O)C(C)O CNP0582143.0 [0,0,0,0,2,0|0,0,2]=4 258 B12R1.56 COC1=CC(=CC=C1[O-])C(=O)O CNP0511962.0 [0,0,0,0,2,0|1,0,1]=4 259 B16R1.4707 COC1=CC(=CC=C1O)C=CCOC(=O)C CNP0397189.0 [0,0,0,0,0,2|0,0,0]=2 260 B16R1.4707 COC1=CC(=CC=C1O)CCCOC(=O)C CNP0149833.0 [0,0,0,0,0,2|0,0,2]=4