0 B14R2.8188 CC1=NC2=C(C=CC=C2)N(C1=O)C PH009988 [0,0,0,0,0,0|3,0,1]=4 1 B14R2.8188 CN1C(=O)C(=O)NC2=CC=CC=C12 CBR00312 [0,0,0,0,0,0|3,0,1]=4 2 B13R2.32 CN1C(=O)CSC2=CC=CC=C12 T313084 [1,0,0,0,0,0|2,0,0]=3 3 B13R2.32 O=C1C=CC2=C(N1O)C=CC=C2 PH008969 [1,0,0,0,0,0|0,0,2]=3 4 B13R2.32 OC1C2=C(C=CC=C2)CCC1Br S946559 [1,0,0,0,0,0|2,0,1]=4 5 B13R2.328 NC1=NC2=C(C=CC=C2)C(=C1)O R240303 [1,0,0,0,0,0|2,0,1]=4 6 B13R2.369 CC1CC2=CC=CC=C2NC1=O PH002978 [1,0,0,0,0,0|1,0,0]=2 7 B13R2.369 CC1CC2=CC=CC=C2OC1=O T217115 [1,0,0,0,0,0|2,0,0]=3 8 B13R2.369 CC1NC2=C(C=CC=C2)NC1=O R227021 [1,0,0,0,0,0|2,0,0]=3 9 B13R2.369 CC1OC2=C(C=CC=C2)NC1=O JRD0784 [1,0,0,0,0,0|2,0,0]=3 10 B13R2.369 CC1SC2=CC=CC=C2NC1=O JRD0961 [1,0,0,0,0,0|2,0,0]=3 11 B15R2.1007 CC1OC2=CC=C(C=C2N(C1=O)C)N T326690 [0,1,0,0,0,0|3,0,0]=4 12 B15R2.63893 CC1OC2=CC(=CC=C2N(C1=O)C)N CBR01641 [0,1,0,0,0,0|3,0,0]=4 13 B15R2.136347 CN1C(=O)C(NC2=CC=CC=C12)(C)C T316121 [0,1,0,0,0,0|3,0,0]=4 14 B13R1.135 COC(=O)C(N)CC1=CC=CC=C1 PH011323 [0,0,1,0,0,0|2,0,0]=3 15 B13R1.135 COC(=O)C(N)CC1=NC=CC=C1 PH019122 [0,0,1,0,0,0|3,0,0]=4 16 B13R1.135 COC(=O)[C@@H](O)CC1=CC=CC=C1 PH000793 [0,0,1,0,0,0|3,0,0]=4 17 B13R1.135 COC(=O)[C@H](N)CC1=CC=CC=C1 PH009923 [0,0,1,0,0,0|2,0,0]=3 18 B13R1.135 COC(=O)[C@H](N)CC1=CC=CN=C1 CDS006818 [0,0,1,0,0,0|3,0,0]=4 19 B13R2.3085 CC1C(=N)N(C2=C1C=CC=C2)C R101125 [0,0,0,0,1,0|3,0,0]=4 20 B13R2.3085 CC1C(=O)N(C2=C1C=CC=C2)C PH008863 [0,0,0,0,1,0|2,0,0]=3 21 B13R2.3085 CN1C2=CC=CC=C2C(=C1O)N PH019068 [0,0,0,0,1,0|1,0,2]=4 22 B12R1.371 CC1=C(C=CC=C1)NC(=O)C#N S898007 [1,0,1,0,0,0|0,0,2]=4 23 B12R1.371 CC1=C(C=CC=C1)NC(=O)CCl S278939 [1,0,1,0,0,0|1,0,0]=3 24 B12R1.371 CC1=C(C=CC=C1)NC(=O)CCl S292044 [1,0,1,0,0,0|1,0,0]=3 25 B12R1.371 CC1=C(C=CC=C1)NC(=O)CCl S378208 [1,0,1,0,0,0|1,0,0]=3 26 B12R1.371 CC1=CC=CC=C1NC(=O)CN CBR02475 [1,0,1,0,0,0|0,0,0]=2 27 B12R1.371 CCC(=O)NC1=C(C=CC=C1)Cl R131482 [1,0,1,0,0,0|2,0,0]=4 28 B12R1.371 CNC(=O)NC1=C(C=CC=C1)C S606529 [1,0,1,0,0,0|2,0,0]=4 29 B12R1.371 COC(=O)NC1=C(C=CC=C1)C S628336 [1,0,1,0,0,0|2,0,0]=4 30 B12R1.371 O=C(CCl)NC1=C(C=CC=C1)F R590193 [1,0,1,0,0,0|2,0,0]=4 31 B12R1.371 O=C(CCl)NC1=C(C=CC=C1)O S501069 [1,0,1,0,0,0|2,0,0]=4 32 B12R1.371 O=C(CI)NC1=CC=CC=C1Cl R823252 [1,0,1,0,0,0|2,0,0]=4 33 B12R1.27 CCC(=O)CCC1=CC=CC=C1 S570338 [1,0,1,0,0,0|2,0,0]=4 34 B12R1.27 NNC(=O)CCC1=CC=CC=C1 PH010195 [1,0,1,0,0,0|1,0,0]=3 35 B12R1.27 NNC(=O)COC1=CC=CC=C1 OTV000051 [1,0,1,0,0,0|2,0,0]=4 36 B12R1.27 O=C(CCl)CCC1=CC=CC=C1 PH016229 [1,0,1,0,0,0|2,0,0]=4 37 B12R1.43 CC(C)C(=O)NC1=CC=CC=C1 S799874 [1,0,1,0,0,0|1,0,0]=3 38 B12R1.43 CC(C)C(=O)OC1=CC=CC=C1 S939773 [1,0,1,0,0,0|2,0,0]=4 39 B12R1.43 CC(CC1=CC=CC=C1)C(=O)N S101400 [1,0,1,0,0,0|1,0,0]=3 40 B12R1.43 CC(CC1=CC=CC=C1)C(=O)N S494143 [1,0,1,0,0,0|1,0,0]=3 41 B12R1.43 CC(CC1=CC=CC=C1)C(=O)N S497290 [1,0,1,0,0,0|1,0,0]=3 42 B12R1.43 CC(Cl)C(=O)NC1=CC=CC=C1 PH011659 [1,0,1,0,0,0|1,0,0]=3 43 B12R1.43 CC(SC1=CC=CC=C1)C(=O)O T214256 [1,0,1,0,0,0|2,0,0]=4 44 B12R1.43 CN(C)C(=O)NC1=CC=CC=C1 S579718 [1,0,1,0,0,0|2,0,0]=4 45 B12R1.43 CN(N)C(=S)NC1=CC=CC=C1 PH009743 [1,0,1,0,0,0|1,1,0]=4 46 B12R1.43 NC(CC1=CC=CC=N1)C(=O)O CDS020095 [1,0,1,0,0,0|1,0,0]=3 47 B12R1.43 NC(CC1=CC=CN=C1)C(=O)O CDS020090 [1,0,1,0,0,0|1,0,0]=3 48 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O PH000113 [1,0,1,0,0,0|0,0,0]=2 49 B12R1.43 O=C(O)C(Br)CC1=CC=CC=C1 T136158 [1,0,1,0,0,0|1,0,0]=3 50 B12R1.43 O=C(O)C(O)CC1=CC=CN=C1 CDS008837 [1,0,1,0,0,0|2,0,0]=4 51 B12R1.43 O=C([O-])C(O)CC1=CC=CC=C1 S789089 [1,0,1,0,0,0|1,0,1]=4 52 B12R1.34 CCC(=O)C(C)C1=CC=CC=C1 S593516 [1,0,1,0,0,0|2,0,0]=4 53 B12R1.34 CCC(=O)N(C)C1=CC=CC=C1 S593400 [1,0,1,0,0,0|1,0,0]=3 54 B12R1.34 CN(C(=O)CBr)C1=CC=CC=C1 CBR00334 [1,0,1,0,0,0|2,0,0]=4 55 B12R1.34 CN(C(=O)CCl)C1=CC=CC=C1 S91740 [1,0,1,0,0,0|2,0,0]=4 56 B12R1.34 CN(C(=O)CCl)C1=CC=CC=C1 S953326 [1,0,1,0,0,0|2,0,0]=4 57 B12R1.34 NNC(=O)C(O)C1=CC=CC=C1 PH006903 [1,0,1,0,0,0|2,0,0]=4 58 B12R1.169 C(=O)NC1=C(C=CC=C1)OCC S516651 [1,0,1,0,0,0|2,0,0]=4 59 B12R2.24 N=C1CSC2=C(N1)C=CC=C2 PH008148 [2,0,0,0,0,0|2,0,0]=4 60 B12R2.24 NC1=NCC2=CC=CC=C2N1 PH012493 [2,0,0,0,0,0|2,0,0]=4 61 B12R2.24 NC1COC2=CC=CC=C2C1 CBR01531 [2,0,0,0,0,0|1,0,1]=4 62 B12R2.24 NC1COC2=CC=CC=C2C1 CDS007242 [2,0,0,0,0,0|1,0,1]=4 63 B12R2.24 O=C1CNC2=CC=CC=C2N1 T324280 [2,0,0,0,0,0|1,0,0]=3 64 B12R2.24 O=C1COC2=CC=CC=C2C1 PH015428 [2,0,0,0,0,0|2,0,0]=4 65 B12R2.24 O=C1COC2=CC=NC=C2N1 ADE001248 [2,0,0,0,0,0|2,0,0]=4 66 B12R2.24 O=C1COC2=NC=CC=C2N1 ADE001249 [2,0,0,0,0,0|2,0,0]=4 67 B12R2.24 O=C1CSC2=NC=CC=C2N1 PH011261 [2,0,0,0,0,0|2,0,0]=4 68 B12R2.24 S=C1CCC2=C(N1)C=CC=C2 PH009536 [2,0,0,0,0,0|0,1,0]=3 69 B12R2.24 S=C1COC2=CC=CC=C2N1 PH000195 [2,0,0,0,0,0|1,1,0]=4 70 B12R2.24 S=C1NCC2=CC=CC=C2N1 PH005120 [2,0,0,0,0,0|1,1,0]=4 71 B14R1.3135 COC1=C(C=CC=C1)C[C@H](N)C(=O)O BBO000410 [0,1,1,0,0,0|2,0,0]=4 72 B14R1.134 COC(=O)C(N)CC1=CC=C(C=C1)Cl PH016711 [0,1,1,0,0,0|2,0,0]=4 73 B14R1.134 COC(=O)C(N)CC1=CC=C(C=C1)O S457787 [0,1,1,0,0,0|2,0,0]=4 74 B14R1.135 COC(=O)[C@H](N)CC1=CC(=CC=C1)F CDS020830 [0,1,1,0,0,0|2,0,0]=4 75 B14R1.425 CC(CC1=CC=CC=C1)C(=O)N(C)C S497673 [0,1,1,0,0,0|2,0,0]=4 76 B14R2.743 CC1(C(=O)CCC2=C1C=CC=C2)C S58743 [1,1,0,0,0,0|2,0,0]=4 77 B14R2.4513 CN1C(=O)COC2=CC=C(C=C12)N CBR00203 [1,1,0,0,0,0|2,0,0]=4 78 B14R2.7724 CN1C(=O)CC(=O)C2=CC=CC=C12 T323713 [1,1,0,0,0,0|1,0,1]=4 79 B14R2.8038 O=C1COC2=C(C=CC=C2N1O)Cl T320749 [1,1,0,0,0,0|1,0,0]=3 80 B14R2.29369 CN1C(=O)COC2=CC(=CC=C12)N CBR00365 [1,1,0,0,0,0|2,0,0]=4 81 B14R2.639 CC1(NC2=CC=CC=C2NC1=O)C T325759 [1,1,0,0,0,0|2,0,0]=4 82 B14R2.639 CC1(OC2=CC=CC=C2NC1=O)C JRD0407 [1,1,0,0,0,0|2,0,0]=4 83 B14R2.639 CC1(SC2=CC=CC=C2NC1=O)C VBP00118 [1,1,0,0,0,0|2,0,0]=4 84 B14R2.8239 CC1=CC=C2NC(=O)C(OC2=C1)C OTV000465 [1,1,0,0,0,0|2,0,0]=4 85 B14R2.8239 CC1OC2=C(C=C(C=C2)N)NC1=O JRD0674 [1,1,0,0,0,0|2,0,0]=4 86 B14R2.8239 CC1OC2=CC=C(C=C2NC1=O)Br JRD0725 [1,1,0,0,0,0|2,0,0]=4 87 B14R2.8239 CC1OC2=CC=C(C=C2NC1=O)Cl OTV000335 [1,1,0,0,0,0|2,0,0]=4 88 B14R2.8239 CC1OC2=CC=C(C=C2NC1=O)F JRD0727 [1,1,0,0,0,0|2,0,0]=4 89 B14R2.8239 CC1OC2=CC=C(C=C2NC1=O)N OTV000478 [1,1,0,0,0,0|2,0,0]=4 90 B14R2.8239 CC1SC2=CC=C(C=C2NC1=O)Br VBP00194 [1,1,0,0,0,0|2,0,0]=4 91 B14R2.19306 CN1C(=O)C(C2=C1C=CC=C2)C=O PH010784 [0,1,0,0,1,0|2,0,0]=4 92 B14R2.19306 O=C1C(=O)N(C2=C1C=CC=C2)CO S802107 [0,1,0,0,1,0|1,0,1]=4 93 B14R2.958 CNC(=O)C1CC1C2=CC=CC=C2 T199354 [0,0,1,1,0,0|2,0,0]=4 94 B14R2.279 CN1C(=O)CCCC2=CC=CC=C12 T167576 [0,0,1,1,0,0|2,0,0]=4 95 B14R3.608 O=C1CC2CC1C3=C2C=CC=C3 T201596 [1,0,0,1,0,0|2,0,0]=4 96 B12R2.18 CN1C(=O)NC2=CC=CC=C12 PH010060 [1,0,0,0,1,0|2,0,0]=4 97 B12R2.18 NN1C(=O)CC2=CC=CC=C12 PH002340 [1,0,0,0,1,0|1,0,0]=3 98 B12R2.18 O=C1CC2=C(N1O)C=CC=C2 PH003463 [1,0,0,0,1,0|0,0,0]=2 99 B12R2.18 O=C1NC2=C(C1O)C=CC=C2 PH010628 [1,0,0,0,1,0|2,0,0]=4 100 B14R1.756 COC(=O)C(N)CCC1=CC=CC=C1 CDS006089 [0,0,1,0,0,1|2,0,0]=4 101 B14R1.756 COC(=O)[C@H](N)CCC1=CC=CC=C1 PH019536 [0,0,1,0,0,1|2,0,0]=4