0 B13R2.10 BrC1=NOC(C1)C2=CC=CC=C2 SYX00179 [0,0,0,0,0,0|4,0,0]=4 1 B13R2.10 CC1=CC(=NO1)C2=CC=CC=C2 PH004014 [0,0,0,0,0,0|3,0,1]=4 2 B13R2.10 CC1=NC(=CN1)C2=CC=CC=C2 CBR02038 [0,0,0,0,0,0|2,0,2]=4 3 B13R2.10 CC1=NC(=NO1)C2=CC=CC=C2 CDS000772 [0,0,0,0,0,0|2,0,1]=3 4 B13R2.10 CC1=NC(=NO1)C2=CC=NC=C2 BOG00034 [0,0,0,0,0,0|3,0,1]=4 5 B13R2.10 CC1=NC(=NO1)C2=CN=CC=C2 BOG00250 [0,0,0,0,0,0|3,0,1]=4 6 B13R2.10 CC1=NC(=NO1)C2=NC=CC=C2 BOG00033 [0,0,0,0,0,0|3,0,1]=4 7 B13R2.10 CC1=NNC(C1)C2=CC=CC=C2 PH013767 [0,0,0,0,0,0|4,0,0]=4 8 B13R2.10 C[N+]1=NN(CC1)C2=CC=CC=C2 S873489 [0,0,0,0,0,0|4,0,0]=4 9 B13R2.10 ClC1=NC(=NO1)C2=CC=CC=C2 CBR01758 [0,0,0,0,0,0|2,0,1]=3 10 B13R2.10 ClC1=NSC(=N1)C2=CC=CC=C2 T321990 [0,0,0,0,0,0|3,0,1]=4 11 B13R2.10 NC1=NC(=CS1)C2=CC=CC=C2 L133558 [0,0,0,0,0,0|0,1,2]=3 12 B13R2.10 NC1=NC(=CS1)C2=CC=CC=C2 OTV000831 [0,0,0,0,0,0|0,1,2]=3 13 B13R2.10 NC1=NC(=CS1)C2=CC=CC=N2 CDS009686 [0,0,0,0,0,0|1,1,2]=4 14 B13R2.10 NC1=NC(=CS1)C2=CC=CN=C2 BOG00265 [0,0,0,0,0,0|1,1,2]=4 15 B13R2.10 NC1=NC(=CS1)C2=CC=CN=C2 PH010032 [0,0,0,0,0,0|1,1,2]=4 16 B13R2.10 NC1=NC(=CS1)C2=CC=NC=C2 CDS002926 [0,0,0,0,0,0|1,1,2]=4 17 B13R2.10 NC1=NN=C(O1)C2=CC=CC=C2 L316873 [0,0,0,0,0,0|3,0,1]=4 18 B13R2.10 NC1=NN=C(O1)C2=CC=CC=C2 R100978 [0,0,0,0,0,0|3,0,1]=4 19 B13R2.10 NC1=NN=C([Se]1)C2=CC=CC=C2 S139815 [0,0,0,0,0,0|3,0,1]=4 20 B13R2.10 NC1=NOC(=C1)C2=CC=CC=C2 JRD0178 [0,0,0,0,0,0|3,0,1]=4 21 B13R2.10 NC1=NSC(=N1)C2=CC=CC=C2 CDS015096 [0,0,0,0,0,0|2,0,1]=3 22 B13R2.10 O=C1CSC(N1)C2=CC=CC=C2 PH010364 [0,0,0,0,0,0|3,0,1]=4 23 B13R2.10 O=C1[CH-][N+](=NO1)C2=CC=CC=C2 R818488 [0,0,0,0,0,0|4,0,0]=4 24 B13R2.10 OC1=CC(=NO1)C2=CC=CC=C2 CDS014441 [0,0,0,0,0,0|3,0,1]=4 25 B13R2.10 S=C1NC(=NO1)C2=CC=CC=C2 R276510 [0,0,0,0,0,0|2,0,2]=4 26 B13R2.10 S=C1NCC(S1)C2=CC=CC=C2 PH006997 [0,0,0,0,0,0|3,0,0]=3 27 B13R2.10 SC1=NN(C=N1)C2=CC=CC=C2 S275301 [0,0,0,0,0,0|3,0,1]=4 28 B12R2.2 C1=CC=C(C=C1)C2=NOC=C2 JRD0165 [1,0,0,0,0,0|2,0,1]=4 29 B12R2.2 C1=CC=C(C=C1)C2CCCC2 S109770 [1,0,0,0,0,0|2,0,1]=4 30 B12R2.2 C1=CC=C(C=C1)C2CCCC2 S549312 [1,0,0,0,0,0|2,0,1]=4 31 B12R2.2 C1=CC=C(C=C1)[C@H]2CCNC2 CDS009943 [1,0,0,0,0,0|2,0,1]=4 32 B14R2.8 C(=O)C1=NC(=NO1)C2=CC=CC=C2 CBR01933 [0,1,0,0,0,0|2,0,1]=4 33 B14R2.8 CCC1OCC(O1)C2=CC=CC=C2 S941239 [0,1,0,0,0,0|2,0,1]=4 34 B14R2.8 CNC1=NC(=CS1)C2=CC=CC=C2 T335096 [0,1,0,0,0,0|0,1,2]=4 35 B14R2.8 NCC1=CC(=NO1)C2=CC=CC=C2 CDS013822 [0,1,0,0,0,0|2,0,1]=4 36 B14R2.8 NCC1=COC(=N1)C2=CC=CC=C2 CBR00842 [0,1,0,0,0,0|2,0,1]=4 37 B14R2.8 NCC1=NC(=NN1)C2=CC=CC=C2 PH019203 [0,1,0,0,0,0|2,0,1]=4 38 B14R2.8 NCC1=NC(=NO1)C2=CC=CC=C2 CBR01044 [0,1,0,0,0,0|1,0,1]=3 39 B14R2.8 NCC1=NC(=NO1)C2=CC=CC=N2 CBR00733 [0,1,0,0,0,0|2,0,1]=4 40 B14R2.8 NCC1=NC(=NO1)C2=CC=CN=C2 CBR01074 [0,1,0,0,0,0|2,0,1]=4 41 B14R2.8 NCC1=NOC(=N1)C2=CC=CC=C2 CBR00792 [0,1,0,0,0,0|2,0,1]=4 42 B14R2.20 CC1=CC=C(C=C1)C2=CSC(=N2)N R433381 [0,1,0,0,0,0|0,1,2]=4 43 B14R2.20 CC1=CC=C(C=C1)C2=NOC(=C2)N L482900 [0,1,0,0,0,0|2,0,1]=4 44 B14R2.20 CC1=CC=C(C=C1)C2=NOC(=N2)C S382744 [0,1,0,0,0,0|2,0,1]=4 45 B14R2.20 NC1=CC(=NO1)C2=CC=C(C=C2)Br L482919 [0,1,0,0,0,0|2,0,1]=4 46 B14R2.20 NC1=CC(=NO1)C2=CC=C(C=C2)F L482927 [0,1,0,0,0,0|2,0,1]=4 47 B14R2.20 NC1=NC(=CS1)C2=CC=C(C=C2)F PH005158 [0,1,0,0,0,0|0,1,2]=4 48 B14R2.20 NC1=NC(=CS1)C2=CC=C(C=C2)O CDS001888 [0,1,0,0,0,0|0,1,2]=4 49 B14R2.20 NC1=NCC(N1)C2=CC=C(C=C2)Cl PH013621 [0,1,0,0,0,0|1,0,1]=3 50 B14R2.20 NC1=NNC(=N1)C2=CC=C(C=C2)F PH018104 [0,1,0,0,0,0|2,0,1]=4 51 B14R2.22 CC1=CC=CC(=C1)C2=NOC(=C2)N L482978 [0,1,0,0,0,0|2,0,1]=4 52 B14R2.22 CC1=NC(=NO1)C2=CC=CC(=C2)O PH000540 [0,1,0,0,0,0|2,0,1]=4 53 B14R2.22 NC1=CC(=CC=C1)C2CNC(=O)C2 CDS021160 [0,1,0,0,0,0|3,0,0]=4 54 B14R2.22 NC1=CC(=NO1)C2=CC=CC(=C2)Br JRD0163 [0,1,0,0,0,0|2,0,1]=4 55 B14R2.22 NC1=CC(=NO1)C2=CC=CC(=C2)F JRD0164 [0,1,0,0,0,0|2,0,1]=4 56 B14R2.22 NC1=NC(=CS1)C2=CC=CC(=C2)F T325503 [0,1,0,0,0,0|0,1,2]=4 57 B14R2.256 NC1=CC(=NO1)C2=CC=CC=C2Cl L482943 [0,1,0,0,0,0|2,0,1]=4 58 B14R2.256 NC1=CC(=NO1)C2=CC=CC=C2F L482951 [0,1,0,0,0,0|2,0,1]=4 59 B14R2.256 NC1=NC(=CS1)C2=CC=CC=C2F CDS021846 [0,1,0,0,0,0|0,1,2]=4 60 B14R2.256 NC1=NN(C=C1)C2=CC=CC=C2F PH017332 [0,1,0,0,0,0|2,0,1]=4 61 B14R2.260 CN1CC(CC1=O)C2=CC=CC=C2 PH007835 [0,1,0,0,0,0|3,0,0]=4 62 B14R2.403 CC1(OCC(O1)C2=CC=CC=C2)C S793531 [0,1,0,0,0,0|2,0,1]=4 63 B14R2.598 CC1NC(=O)CC1C2=CC=CC=C2 PH007913 [0,1,0,0,0,0|3,0,0]=4 64 B14R2.598 C[C@H]1NC(=O)O[C@H]1C2=CC=CC=C2 PH000361 [0,1,0,0,0,0|3,0,0]=4 65 B14R2.598 NC1=NC(=O)C(S1)C2=CC=CC=C2 PH009898 [0,1,0,0,0,0|2,0,1]=4 66 B14R2.2950 C[N+]1(CCC(=N1)N)C2=CC=CC=C2 S274771 [0,1,0,0,0,0|2,0,0]=3 67 B14R2.4514 C=C1C(=O)OCC1C2=CC=CC=C2 T262382 [0,1,0,0,0,0|2,0,0]=3 68 B14R2.4514 CC1=C(ON=C1C2=CC=CC=C2)N CBR00118 [0,1,0,0,0,0|2,0,1]=4 69 B12R1.3 CCN[C@H](CO)C1=CC=CC=C1 PH015092 [0,0,1,0,0,0|1,0,2]=4 70 B12R1.3 CC[C@@H](N=C=O)C1=CC=CC=C1 CDS001187 [0,0,1,0,0,0|2,0,1]=4 71 B12R1.3 OCCC(CO)C1=CC=CC=C1 PH007446 [0,0,1,0,0,0|2,0,1]=4 72 B12R1.27 CCC(=O)CCC1=CC=CC=C1 S570338 [0,0,1,0,0,0|3,0,0]=4 73 B12R1.27 CNC(=S)NCC1=CC=CC=C1 R278815 [0,0,1,0,0,0|2,0,1]=4 74 B12R1.27 COC(=O)NCC1=CC=CC=C1 S594148 [0,0,1,0,0,0|1,0,1]=3 75 B12R1.27 CSC(=S)OCC1=CC=CC=C1 S863475 [0,0,1,0,0,0|2,1,0]=4 76 B12R1.107 C/C(=C\C(=O)N)/C1=CC=CC=C1 PH007020 [0,0,1,0,0,0|1,0,2]=4 77 B12R1.107 C/C(=C\C(=O)O)/C1=CC=CC=C1 S808334 [0,0,1,0,0,0|2,0,1]=4 78 B12R1.107 CC(CN(C)N)C1=CC=CC=C1 PH001335 [0,0,1,0,0,0|3,0,0]=4 79 B12R1.107 C[C@H](CC(=O)O)C1=CC=CC=C1 PH000708 [0,0,1,0,0,0|2,0,0]=3 80 B12R1.252 CC(=O)NCCC1=CC=CC=C1 S581887 [0,0,1,0,0,0|3,0,0]=4 81 B12R1.252 CC(=O)OCCC1=NC=CC=C1 PH006794 [0,0,1,0,0,0|3,0,0]=4 82 B12R1.252 CC(=O)O[Hg]CC1=CC=CC=C1 S881120 [0,0,1,0,0,0|3,0,0]=4 83 B12R1.252 N=C(N)CCCC1=CC=CC=N1 PH015391 [0,0,1,0,0,0|2,0,0]=3 84 B12R1.252 N=C(N)NCCC1=CC=CC=C1 S370282 [0,0,1,0,0,0|1,0,0]=2 85 B12R1.252 NC(=O)CCCC1=CC=CC=C1 S669202 [0,0,1,0,0,0|2,0,0]=3 86 B12R1.252 NC(=O)CSCC1=CC=CC=C1 S614386 [0,0,1,0,0,0|3,0,0]=4 87 B12R1.252 NC(=O)NCCC1=CC=CC=C1 PH010316 [0,0,1,0,0,0|2,0,0]=3 88 B12R1.252 NC(=S)NCCC1=CC=CC=C1 PH011268 [0,0,1,0,0,0|2,0,0]=3 89 B12R1.252 O=C(Cl)CCCC1=CC=CC=C1 PH000271 [0,0,1,0,0,0|3,0,0]=4 90 B14R3.608 CC1=CC2CC1C3=CC=CC=C23 T201189 [0,0,0,1,0,0|3,0,0]=4 91 B14R3.608 O=C1CC2CC1C3=C2C=CC=C3 T201596 [0,0,0,1,0,0|3,0,0]=4 92 B14R2.19 NC1=NN(C=C1)CC2=CC=CC=C2 CBR00217 [0,0,0,0,0,1|2,0,1]=4 93 B14R2.19 O=C1C=C(CO1)NC2=CC=CC=C2 S811505 [0,0,0,0,0,1|2,0,1]=4 94 B14R2.19 O=C1N[C@H](CO1)CC2=CC=CC=C2 PH000320 [0,0,0,0,0,1|1,0,1]=3 95 B14R2.21 O=C1CCCC(N1)C2=CC=CC=C2 T313149 [0,0,0,0,0,1|2,0,1]=4 96 B14R2.21 O=C1COC[C@H](N1)C2=CC=CC=C2 KOB0138 [0,0,0,0,0,1|1,0,1]=3 97 B14R2.68 NC1=CC=C(C=N1)C2=CC=CC=C2 CDS002679 [0,0,0,0,0,1|1,0,2]=4 98 B14R2.68 O=C1CCC(=NN1)C2=CC=CC=C2 R818577 [0,0,0,0,0,1|2,0,1]=4 99 B14R2.68 O=C1CCC(=NN1)C2=CC=CC=C2 S199303 [0,0,0,0,0,1|2,0,1]=4 100 B11R1.16 C(=O)NC(C)C1=CC=CC=C1 S520349 [1,0,1,0,0,0|0,0,2]=4 101 B11R1.16 CC(/C=N/O)C1=CC=CC=C1 S619094 [1,0,1,0,0,0|2,0,0]=4 102 B11R1.16 CC(N=C=S)C1=CC=CC=C1 S645478 [1,0,1,0,0,0|0,1,1]=4 103 B11R1.16 CC(N=[N+]=[N-])C1=CC=CC=C1 PH018363 [1,0,1,0,0,0|1,0,1]=4 104 B11R1.16 COC[C@@H](N)C1=CC=CC=C1 CDS006581 [1,0,1,0,0,0|0,0,2]=4 105 B11R1.91 CC(N)CCC1=CC=CC=C1 S363766 [1,0,1,0,0,0|1,0,1]=4 106 B11R1.91 CN(N)CCC1=CC=CC=C1 PH013245 [1,0,1,0,0,0|2,0,0]=4 107 B11R1.91 N=C(N)NCC1=CC=CC=C1 CBR01532 [1,0,1,0,0,0|1,0,1]=4 108 B11R1.91 NC(=S)NCC1=CC=CC=C1 S385816 [1,0,1,0,0,0|0,1,1]=4 109 B11R1.91 NC(=[S+]CC1=CC=CC=C1)N S34720 [1,0,1,0,0,0|2,0,0]=4 110 B13R1.713 CC(=O)N[C@@H](CO)C1=CC=CC=C1 PH014391 [0,1,1,0,0,0|1,0,1]=4 111 B13R1.11 COC(=O)C[C@@H](N)C1=CC=CC=C1 CDS021823 [0,1,1,0,0,0|2,0,0]=4 112 B13R1.14 CO/C(=N\NC1=CC=C(C=C1)Br)/Cl S282243 [0,1,1,0,0,0|2,0,0]=4 113 B13R1.42 CCOC(=O)NCC1=CC=CC=C1 PH011548 [0,1,1,0,0,0|1,0,1]=4 114 B13R1.135 COC(=O)C(N)CC1=CC=CC=C1 PH011323 [0,1,1,0,0,0|2,0,0]=4 115 B13R1.135 COC(=O)[C@@H](O)CC1=CC=CC=C1 PH000793 [0,1,1,0,0,0|2,0,0]=4 116 B13R1.135 COC(=O)[C@H](N)CC1=CC=CC=C1 PH009923 [0,1,1,0,0,0|2,0,0]=4 117 B13R1.528 COC(=O)CCC1=C(C=CC=C1)O CDS015224 [0,1,1,0,0,0|2,0,0]=4 118 B13R1.45 CC(=O)OCC(C)C1=CC=CC=C1 S528323 [0,1,1,0,0,0|2,0,0]=4 119 B13R1.132 CC(CC(=O)O)C1=CC=C(C=C1)Br T135860 [0,1,1,0,0,0|2,0,0]=4 120 B13R1.132 CC(CC(=O)O)C1=CC=C(C=C1)Cl PH015633 [0,1,1,0,0,0|2,0,0]=4 121 B13R1.132 CC(CC(=O)O)C1=CC=C(C=C1)O T135879 [0,1,1,0,0,0|2,0,0]=4 122 B13R1.132 CC1=CC=C(C=C1)C(C)CC(=O)O S326283 [0,1,1,0,0,0|2,0,0]=4 123 B13R1.152 CC(C(=O)O)C(C)C1=CC=CC=C1 S697214 [0,1,1,0,0,0|2,0,0]=4 124 B13R1.201 CC(CC(=O)O)C1=CC=CC=C1I T135852 [0,1,1,0,0,0|2,0,0]=4 125 B13R1.158 N=C(N)CCCC1=C(C=CC=C1)Cl PH015537 [0,1,1,0,0,0|1,0,0]=3 126 B13R1.158 N=C(N)SCCC1=CC=CC=[N+]1[O-] S292966 [0,1,1,0,0,0|1,1,0]=4 127 B13R1.348 CC(CC1=CC=CC=C1)NC(=S)N L259071 [0,1,1,0,0,0|2,0,0]=4 128 B13R1.348 C[C@H](CC1=CC=CC=C1)NC(=O)N PH008163 [0,1,1,0,0,0|2,0,0]=4 129 B13R1.513 NC(=O)CCCC1=CC=C(C=C1)Br S561223 [0,1,1,0,0,0|2,0,0]=4 130 B13R2.12 OC1=CC=C(C=C1)C2=COC=N2 PH003573 [1,1,0,0,0,0|0,0,2]=4 131 B13R2.13 NC1=CC=CC(=C1)C2=NOC=N2 T310026 [1,1,0,0,0,0|1,0,1]=4 132 B13R2.18 FC1=C(C=CC=C1)C2=NOC=N2 CDS024203 [1,1,0,0,0,0|1,0,1]=4 133 B15R2.27 NC1=CC(=O)CC(C1)C2=CC=CC=C2 L510076 [0,1,0,0,0,1|2,0,0]=4 134 B15R2.59 CC(N)C1=NC(=NO1)C2=CC=CC=C2 CBR00731 [0,2,0,0,0,0|1,0,1]=4 135 B15R2.66 NCCC1=NC(=NO1)C2=CC=CC=C2 CDS017619 [0,2,0,0,0,0|1,0,1]=4 136 B15R2.275 CC1=CC=C(C=C1)C2=NOC(=N2)CN CDS023927 [0,2,0,0,0,0|1,0,1]=4 137 B15R2.2243 CC1=CC=CC=C1C2=NOC(=N2)CN CDS022900 [0,2,0,0,0,0|1,0,1]=4 138 B15R2.16 CCC1=C(N=C(O1)N)C2=CC=CC=C2 S501905 [0,2,0,0,0,0|0,0,2]=4 139 B13R2.2931 CCN1N=C(C2=C1C=CC=C2)N CBR00053 [0,0,1,1,0,0|2,0,0]=4 140 B13R2.72 NC(=O)N1CCC2=CC=CC=C12 T325570 [0,0,1,1,0,0|2,0,0]=4 141 B13R2.72 NC(=S)N1CCC2=C1C=CC=C2 CBR00555 [0,0,1,1,0,0|2,0,0]=4 142 B13R2.163 O=C1CCCC2=CC=CC=C2N1 T167568 [0,0,1,1,0,0|2,0,0]=4 143 B13R3.1962 C1=CC2=C(C=C1)C3C=CC2C3 S792225 [1,0,0,1,0,0|2,0,0]=4 144 B11R1.40 CO/C(=C/C1=CC=CC=C1)/C S722170 [0,0,1,0,1,0|1,0,1]=4 145 B11R1.40 CO/C(=N/C1=CC=CC=C1)/[O-] R466441 [0,0,1,0,1,0|1,0,0]=3 146 B11R1.40 COC(=N)CC1=CC=CC=C1 S671398 [0,0,1,0,1,0|0,0,1]=3 147 B11R1.40 COC(=O)CC1=CC=NC=C1 PH014598 [0,0,1,0,1,0|2,0,0]=4 148 B11R1.40 COC(=O)CC1=CN=CC=C1 S363855 [0,0,1,0,1,0|2,0,0]=4 149 B11R1.40 COC(=O)NC1=CC=CC=C1 S717290 [0,0,1,0,1,0|1,0,1]=4 150 B11R1.40 N/C(=N\O)/CC1=CC=CC=C1 BOG00118 [0,0,1,0,1,0|2,0,0]=4 151 B11R1.40 N/C(=N\O)/CC1=CC=CC=C1 CDS003635 [0,0,1,0,1,0|2,0,0]=4 152 B11R1.40 O=C(CC1=CC=CC=C1)O[Ag] S287369 [0,0,1,0,1,0|2,0,0]=4 153 B11R1.36 C(C)(N)[C@@H](C)C1=CC=CC=C1 S327697 [0,0,1,0,1,0|1,0,1]=4 154 B11R1.36 C(C)(N)[C@H](C)C1=CC=CC=C1 S316911 [0,0,1,0,1,0|1,0,1]=4 155 B11R1.36 CC(=O)C(C)C1=CC=CC=C1 S881112 [0,0,1,0,1,0|1,0,1]=4 156 B11R1.36 CC(C(=O)N)C1=CC=CC=C1 PH007480 [0,0,1,0,1,0|0,0,1]=3 157 B11R1.36 CC(O)C(C)C1=CC=CC=C1 R157589 [0,0,1,0,1,0|1,0,1]=4 158 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S313424 [0,0,1,0,1,0|1,0,1]=4 159 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S313432 [0,0,1,0,1,0|1,0,1]=4 160 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S485527 [0,0,1,0,1,0|1,0,1]=4 161 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S494054 [0,0,1,0,1,0|1,0,1]=4 162 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S494062 [0,0,1,0,1,0|1,0,1]=4 163 B11R1.36 N=C(N)C(O)C1=CC=CC=C1 CBR01201 [0,0,1,0,1,0|2,0,0]=4 164 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 CDS003589 [0,0,1,0,1,0|1,0,1]=4 165 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 S684473 [0,0,1,0,1,0|2,0,0]=4 166 B11R1.36 O=C(O)C(S)C1=CC=CC=C1 TMT00523 [0,0,1,0,1,0|2,0,0]=4 167 B11R1.36 [C@@H](C)(O)[C@@H](C)C1=CC=CC=C1 L157201 [0,0,1,0,1,0|1,0,1]=4 168 B11R2.239 C1=CC=C(C=C1)C2CCN2 CDS019224 [1,0,0,0,1,0|0,0,2]=4 169 B13R1.337 CC(=O)OCCSC1=CC=CC=C1 S866393 [0,0,1,0,0,1|2,0,0]=4 170 B13R1.337 N=C(N)NCCOC1=CC=CC=C1 PH012552 [0,0,1,0,0,1|1,0,0]=3 171 B13R1.337 NC(=O)CCSCC1=CC=CC=C1 S620157 [0,0,1,0,0,1|2,0,0]=4 172 B13R1.337 NC(=O)OCCCC1=CC=CC=C1 PH006883 [0,0,1,0,0,1|1,0,0]=3 173 B13R2.64 C1=CC=C(C=C1)SC2C=CCC2 T278858 [1,0,0,0,0,1|2,0,0]=4