0 B13R2.369 CC1=C(C=C2C=CC=CC2=C1)C S295175 [0,0,0,0,0,0|3,0,0]=3 1 B13R2.369 CC1=CC2=C(C=CC=C2)C=[N+]1C S676535 [0,0,0,0,0,0|4,0,0]=4 2 B13R2.369 CC1=CC2=C(C=CC=C2)OC1=O PH003698 [0,0,0,0,0,0|1,0,0]=1 3 B13R2.369 CC1=NC2=C(C=CC=C2)N=C1C R530735 [0,0,0,0,0,0|4,0,0]=4 4 B13R2.369 CC1CC2=CC=CC=C2NC1=O PH002978 [0,0,0,0,0,0|2,0,2]=4 5 B13R2.369 CC1CC2=CC=CC=C2OC1=O T217115 [0,0,0,0,0,0|1,0,2]=3 6 B13R2.369 CC1NC2=C(C=CC=C2)NC1=O R227021 [0,0,0,0,0,0|3,0,1]=4 7 B13R2.369 CC1OC2=C(C=CC=C2)NC1=O JRD0784 [0,0,0,0,0,0|2,0,2]=4 8 B13R2.369 CC1SC2=CC=CC=C2NC1=O JRD0961 [0,0,0,0,0,0|3,0,1]=4 9 B13R2.369 N=C1NC2=CC=CC=C2OC1=O T319554 [0,0,0,0,0,0|2,0,0]=2 10 B13R2.369 O=C1OC2=C(C=CC=C2)N=C1Cl PH009408 [0,0,0,0,0,0|2,0,0]=2 11 B13R2.369 O=C1SC2=C(C=CC=C2)C=C1Cl S849499 [0,0,0,0,0,0|1,1,0]=2 12 B13R2.369 S=C1NC2=C(C=CC=C2)NC1=S PH008919 [0,0,0,0,0,0|2,2,0]=4 13 B12R2.24 CC1=CC=C2C=NC=CC2=C1 CDS017224 [1,0,0,0,0,0|3,0,0]=4 14 B12R2.24 CC1=NC2=C(C=C1)C=NC=C2 PH008439 [1,0,0,0,0,0|3,0,0]=4 15 B12R2.24 CC1=NC2=NC=CC=C2C=C1 ADE000831 [1,0,0,0,0,0|3,0,0]=4 16 B12R2.24 C[N+]1=CC2=C(C=CC=C2)C=C1 S619213 [1,0,0,0,0,0|3,0,0]=4 17 B12R2.24 ClC1=CC2=C(C=CC=C2)C=N1 PH006843 [1,0,0,0,0,0|3,0,0]=4 18 B12R2.24 ClC1=CC2=C(C=CN=C2)C=C1 S850225 [1,0,0,0,0,0|3,0,0]=4 19 B12R2.24 ClC1=CC=C2C=CC=NC2=C1 CDS014905 [1,0,0,0,0,0|3,0,0]=4 20 B12R2.24 ClC1=NC2=C(C=CC=C2)C=N1 UPL0037 [1,0,0,0,0,0|3,0,0]=4 21 B12R2.24 IC1=CN=C2C=CC=NC2=C1 ADE000848 [1,0,0,0,0,0|3,0,0]=4 22 B12R2.24 NC1=CC2=C(C=CC=C2)C=C1 S810606 [1,0,0,0,0,0|2,0,0]=3 23 B12R2.24 NC1=CC2=CC=CC=C2C=N1 ANV00025 [1,0,0,0,0,0|3,0,0]=4 24 B12R2.24 NC1=CC=C2C=CC=NC2=C1 CDS019693 [1,0,0,0,0,0|3,0,0]=4 25 B12R2.24 NC1=CC=C2C=NC=CC2=C1 CDS005467 [1,0,0,0,0,0|3,0,0]=4 26 B12R2.24 NC1=CC=C2C=NC=CC2=N1 CDS006673 [1,0,0,0,0,0|3,0,0]=4 27 B12R2.24 NC1=CN=C2C=CC=NC2=C1 ADE000870 [1,0,0,0,0,0|3,0,0]=4 28 B12R2.24 NC1=NC=C2C=CC=CC2=N1 CDS008332 [1,0,0,0,0,0|3,0,0]=4 29 B12R2.24 O=C1CNC2=CC=CC=C2N1 T324280 [1,0,0,0,0,0|2,0,1]=4 30 B12R2.24 O=C1COC2=CC=CC=C2C1 PH015428 [1,0,0,0,0,0|0,0,3]=4 31 B12R2.24 OC1=CC2=CC=CC=C2N=C1 CDS009409 [1,0,0,0,0,0|1,0,0]=2 32 B12R2.24 OC1=CC=C2C=CC=NC2=C1 CDS008204 [1,0,0,0,0,0|2,0,0]=3 33 B12R2.24 OC1=CN=C2C=CC=NC2=C1 ADE000860 [1,0,0,0,0,0|2,0,0]=3 34 B12R2.24 S=C1COC2=CC=CC=C2N1 PH000195 [1,0,0,0,0,0|1,1,1]=4 35 B14R2.639 CC1(OC2=CC=CC=C2OC1=O)C T319716 [0,1,0,0,0,0|2,0,1]=4 36 B14R2.1128 CC1=CC2=C(C=CC=C2)C=C1CBr S280526 [0,1,0,0,0,0|3,0,0]=4 37 B14R2.1128 CC1=CC2=C(C=CC=C2)C=C1CBr S302805 [0,1,0,0,0,0|3,0,0]=4 38 B14R2.1128 CCC1=CC2=CC=CC=C2N=C1Cl BBO000255 [0,1,0,0,0,0|3,0,0]=4 39 B14R2.1128 CCC1=CC2=CC=CC=C2N=C1N BBO000545 [0,1,0,0,0,0|3,0,0]=4 40 B14R2.1128 ClCC1=CC2=CC=CC=C2N=C1Cl BBO000118 [0,1,0,0,0,0|3,0,0]=4 41 B14R2.1128 N#CC1=CC2=C(C=CC=C2)OC1=N S647632 [0,1,0,0,0,0|2,0,0]=3 42 B14R2.1128 N#CC1=CC2=CC=CC=C2N=C1N CDS016501 [0,1,0,0,0,0|3,0,0]=4 43 B14R2.1128 O=CC1=CC2=CC=CC=C2C=C1O UPL0014 [0,1,0,0,0,0|1,0,0]=2 44 B14R2.1128 OCC1=CC2=CC=CC=C2N=C1Cl BBO000266 [0,1,0,0,0,0|2,0,0]=3 45 B14R2.8188 CC1=CC2=C(C=CC=C2)C(=C1C)I R268623 [0,1,0,0,0,0|3,0,0]=4 46 B14R2.8188 CC1=NC2=C(C=CC=C2)N(C1=O)C PH009988 [0,1,0,0,0,0|3,0,0]=4 47 B14R2.8188 CC1=NC2=CC=CC=C2C(=C1Br)Cl BBO000651 [0,1,0,0,0,0|3,0,0]=4 48 B14R2.8188 CC1=NC2=CC=CC=C2C(=C1Br)N CDS022707 [0,1,0,0,0,0|3,0,0]=4 49 B14R2.8188 CC1=NC2=CC=CC=C2C(=C1Cl)Br BBO000648 [0,1,0,0,0,0|3,0,0]=4 50 B14R2.8188 CC1=NC2=CC=CC=C2C(=O)N1O R245895 [0,1,0,0,0,0|3,0,0]=4 51 B14R2.8188 CN1C(=O)C(=O)NC2=CC=CC=C12 CBR00312 [0,1,0,0,0,0|2,0,1]=4 52 B14R2.8188 CN1C(=O)NC2=CC=CC=C2C1=O TMT00237 [0,1,0,0,0,0|3,0,0]=4 53 B14R2.8188 CN1C(=O)OC2=C(C1=O)C=CC=C2 PH009096 [0,1,0,0,0,0|2,0,0]=3 54 B14R2.8188 O=C1OC2=C(C=CC=C2)C(=C1Br)O PH011265 [0,1,0,0,0,0|1,0,0]=2 55 B14R2.8239 CC1=CC2=CC(=CC=C2N=C1Cl)Br BBO000197 [0,1,0,0,0,0|3,0,0]=4 56 B14R2.8239 CC1=CC2=CC(=CC=C2N=C1Cl)Cl BBO000095 [0,1,0,0,0,0|3,0,0]=4 57 B14R2.8239 CC1=CC2=CC(=CC=C2N=C1Cl)F BBO000132 [0,1,0,0,0,0|3,0,0]=4 58 B14R2.8239 CC1=CC2=CC(=CC=C2N=C1N)Br BBO000746 [0,1,0,0,0,0|3,0,0]=4 59 B14R2.8239 CC1=CC2=CC(=CC=C2N=C1N)Cl BBO000064 [0,1,0,0,0,0|3,0,0]=4 60 B14R2.8239 CC1=CC2=CC(=CC=C2N=C1N)F BBO000065 [0,1,0,0,0,0|3,0,0]=4 61 B14R2.8239 CC1=CC2=CC=C(C=C2N=C1Cl)Br BBO000563 [0,1,0,0,0,0|3,0,0]=4 62 B14R2.8239 CC1=CC2=CC=C(C=C2N=C1Cl)F BBO000137 [0,1,0,0,0,0|3,0,0]=4 63 B14R2.8239 CC1=CC2=CC=C(C=C2N=C1N)F BBO000546 [0,1,0,0,0,0|3,0,0]=4 64 B14R2.8239 CC1=CC=C2C=C(C(=NC2=C1)Cl)C BBO000108 [0,1,0,0,0,0|3,0,0]=4 65 B14R2.8239 CC1=CC=C2N=C(C(=CC2=C1)C)Cl BBO000107 [0,1,0,0,0,0|3,0,0]=4 66 B14R2.8239 CC1=CC=C2N=C(C(=CC2=C1)C)N BBO000543 [0,1,0,0,0,0|3,0,0]=4 67 B14R2.8239 CC1=CC=C2NC(=O)C(=O)NC2=C1 CDS019918 [0,1,0,0,0,0|2,0,1]=4 68 B14R2.8239 O=C1C=CC2=C(O1)C=C(C(=C2)Cl)O IDF00014 [0,1,0,0,0,0|3,0,0]=4 69 B14R2.8239 O=C1NC2=C(C=C(C=C2)Cl)NC1=O PH003527 [0,1,0,0,0,0|2,0,1]=4 70 B14R2.28472 CC1=CC2=CC=CC(=C2N=C1Cl)C BBO000741 [0,1,0,0,0,0|3,0,0]=4 71 B14R2.28472 CC1=CC2=CC=CC(=C2N=C1N)C BBO000544 [0,1,0,0,0,0|3,0,0]=4 72 B12R1.43 CC(C)C(=O)OC1=CC=CC=C1 S939773 [0,0,1,0,0,0|1,0,2]=4 73 B12R1.43 CC(SC1=CC=CC=C1)C(=O)O T214256 [0,0,1,0,0,0|2,0,1]=4 74 B12R1.43 CN(C)C(=O)OC1=CC=CC=C1 S364436 [0,0,1,0,0,0|2,0,1]=4 75 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O PH000113 [0,0,1,0,0,0|1,0,2]=4 76 B12R1.43 O=C(O)/C(=C/C1=CC=CC=C1)/Br S808768 [0,0,1,0,0,0|1,0,0]=2 77 B12R1.43 O=C(O)/C(=C/C1=CC=CC=C1)/Cl PH009328 [0,0,1,0,0,0|1,0,0]=2 78 B12R1.43 O=C(O)/C(=C/C1=CC=CN=C1)/F CDS021801 [0,0,1,0,0,0|2,0,0]=3 79 B12R1.43 O=C(O)/C(=C\C1=CC=CC=C1)/Cl PH004529 [0,0,1,0,0,0|1,0,0]=2 80 B12R1.43 O=C(O)C(Br)CC1=CC=CC=C1 T136158 [0,0,1,0,0,0|1,0,2]=4 81 B12R1.43 O=C(O)C(O)CC1=CC=CN=C1 CDS008837 [0,0,1,0,0,0|1,0,2]=4 82 B12R1.43 O=C([O-])C(O)CC1=CC=CC=C1 S789089 [0,0,1,0,0,0|0,0,3]=4 83 B12R1.43 O=[N+]([O-])/C(=C/C1=CC=CC=C1)/Br PH008680 [0,0,1,0,0,0|2,0,1]=4 84 B12R1.169 CCOC1=C(C=CC=C1)/C=N\O L169870 [0,0,1,0,0,0|2,0,1]=4 85 B12R1.371 O=C(CCl)OC1=C(C=CC=C1)F PH008803 [0,0,1,0,0,0|2,0,1]=4 86 B12R1.371 O=C(NO)NC1=CC=CC=C1Cl S647209 [0,0,1,0,0,0|3,0,0]=4 87 B12R2.18 CN1C(=O)NC2=CC=CC=C12 PH010060 [0,0,0,0,1,0|3,0,0]=4 88 B12R2.18 CN1C(=S)OC2=C1C=CC=C2 TMT00405 [0,0,0,0,1,0|2,1,0]=4 89 B12R2.18 CN1CC2=C(C1=O)C=CC=C2 S701564 [0,0,0,0,1,0|2,0,1]=4 90 B12R2.18 NC1C(=O)NC2=CC=CC=C12 CBR00797 [0,0,0,0,1,0|2,0,1]=4 91 B12R2.18 NN1C(=O)CC2=CC=CC=C12 PH002340 [0,0,0,0,1,0|3,0,0]=4 92 B12R2.18 O=C1CC2=C(N1O)C=CC=C2 PH003463 [0,0,0,0,1,0|2,0,0]=3 93 B12R2.18 O=C1NC2=C(C1O)C=CC=C2 PH010628 [0,0,0,0,1,0|1,0,1]=3 94 B12R2.100 OC1=CC2=C(C=C1O)NC=C2 CDS021567 [0,0,0,0,1,0|2,0,1]=4 95 B14R2.741 O=C1C=CC2=CC=CC=C2C=C1O T276758 [0,0,0,0,0,1|1,0,0]=2 96 B11R1.40 C=CC(=C)SC1=CC=CC=C1 S767840 [1,0,1,0,0,0|1,1,0]=4 97 B11R1.40 CCC(=O)OC1=CC=CC=C1 CDS000560 [1,0,1,0,0,0|0,0,2]=4 98 B11R1.40 NNC(=O)OC1=CC=CC=C1 PH009655 [1,0,1,0,0,0|2,0,0]=4 99 B11R1.40 O=C(NO)NC1=CC=CC=C1 S716790 [1,0,1,0,0,0|2,0,0]=4 100 B11R1.91 C(=C\C1=CC=CC=C1)\C(=O)[O-] S303518 [1,0,1,0,0,0|0,0,1]=3 101 B11R1.91 NC(=COC1=CC=CC=C1)N PH018935 [1,0,1,0,0,0|2,0,0]=4 102 B11R1.91 O=C(O)/C=C/C1=CC=CC=C1 S826065 [1,0,1,0,0,0|0,0,0]=2 103 B11R1.91 O=C(O)/C=C/C1=CC=CC=N1 CDS014259 [1,0,1,0,0,0|1,0,0]=3 104 B11R1.91 O=C(O)/C=C/C1=CC=NC=C1 S786993 [1,0,1,0,0,0|1,0,0]=3 105 B11R1.91 O=C([O-])/C=C/C1=CC=CC=C1 S566357 [1,0,1,0,0,0|0,0,1]=3 106 B11R1.91 O=C([O-])/C=C/C1=CC=CC=C1 S573108 [1,0,1,0,0,0|0,0,1]=3 107 B11R1.41 C(=N/O)\C1=CC=CC=C1OC S922153 [1,0,1,0,0,0|1,0,1]=4 108 B11R1.17 C/C=C/CC1=CC=CC=C1O PH015920 [1,0,1,0,0,0|1,0,1]=4 109 B11R1.86 CC(=O)OC1=C(C=CC=C1)I KOB0112 [1,0,1,0,0,0|1,0,1]=4 110 B11R1.86 NC(=O)CC1=CC=CC=C1O S668982 [1,0,1,0,0,0|1,0,1]=4 111 B11R1.86 NC(=O)OC1=CC=CC=C1Cl PH009081 [1,0,1,0,0,0|2,0,0]=4 112 B11R1.86 NC1=C(C=CC=C1)CC(=O)O CDS003084 [1,0,1,0,0,0|1,0,1]=4 113 B11R2.20 C1=CC2=C(C=C1)C=NC=C2 R702455 [2,0,0,0,0,0|2,0,0]=4 114 B11R2.20 C1=CC2=C(C=C1)[NH+]=CC=C2 S822752 [2,0,0,0,0,0|1,0,0]=3 115 B11R2.20 C1=CC2=CN=CC=C2N=C1 ADE000839 [2,0,0,0,0,0|2,0,0]=4 116 B11R2.20 C1=CC2=[N+](C=C1)C=CC=N2 S29867 [2,0,0,0,0,0|2,0,0]=4 117 B11R2.20 C1=CN=C2N=CC=CC2=C1 CDS021459 [2,0,0,0,0,0|2,0,0]=4 118 B11R2.20 P1CC=CC2=C1C=CC=C2 S835919 [2,0,0,0,0,0|1,0,1]=4 119 B13R1.133 C/C(=C\C1=CC=C(C=C1)Cl)/C(=O)O S808687 [0,1,1,0,0,0|1,0,0]=3 120 B13R1.133 CC1=CC=C(C=C1)/C=C(/C)\C(=O)O S280100 [0,1,1,0,0,0|1,0,0]=3 121 B13R1.133 NC1=CC=C(C=C1)NC(=O)C(=O)O PH010859 [0,1,1,0,0,0|1,0,1]=4 122 B13R1.135 COC(=O)[C@@H](O)CC1=CC=CC=C1 PH000793 [0,1,1,0,0,0|0,0,2]=4 123 B13R1.148 C/C(=C/C1=CC=CC(=C1)N)/C(=O)O PH008849 [0,1,1,0,0,0|1,0,0]=3 124 B13R1.148 C/C(=C\C1=CC(=CC=C1)Br)/C(=O)O L129372 [0,1,1,0,0,0|1,0,0]=3 125 B13R1.148 C/C(=C\C1=CC(=CC=C1)Cl)/C(=O)O R151122 [0,1,1,0,0,0|1,0,0]=3 126 B13R1.148 CC1=CC(=CC=C1)/C=C(\C)/C(=O)O R151041 [0,1,1,0,0,0|1,0,0]=3 127 B13R1.148 O=C(O)/C(=C/C1=CC(=CC=C1)O)/S PH000774 [0,1,1,0,0,0|0,1,0]=3 128 B13R1.148 O=C(O)/C(=C/C1=CC=CC(=C1)Cl)/S S762601 [0,1,1,0,0,0|0,1,0]=3 129 B13R1.148 O=C(O)C(=S)CC1=CC(=CC=C1)O R627119 [0,1,1,0,0,0|0,1,1]=4 130 B13R1.152 O=C(O)/C(=C(/Br)\C1=CC=CC=C1)/Br S731374 [0,1,1,0,0,0|1,0,0]=3 131 B13R1.202 C/C(=C\C1=C(C=CC=C1)Cl)/C(=O)O S808695 [0,1,1,0,0,0|1,0,0]=3 132 B13R1.353 O=S(=O)(O)/C(=C/C1=CC=CC=C1)/Cl T164119 [0,1,1,0,0,0|2,0,0]=4 133 B13R1.418 CC/C(=C\C1=CC=CC=C1)/C(=O)O S808326 [0,1,1,0,0,0|1,0,0]=3 134 B13R1.418 N#C/C(=C/C1=CC=CC=C1)/C(=O)N S929662 [0,1,1,0,0,0|2,0,0]=4 135 B13R1.418 N#C/C(=C\C1=CC=CN=C1)/C(=O)O R437735 [0,1,1,0,0,0|2,0,0]=4 136 B13R1.418 O=C(O)/C(=C/C1=CC=CC=C1)/CBr S808709 [0,1,1,0,0,0|1,0,0]=3 137 B13R1.470 CC1=CC=CC=C1NC(=O)/C=N/O S662666 [0,1,1,0,0,0|1,0,1]=4 138 B13R1.470 O=C(/C=N/O)NC1=CC=CC=C1I S671339 [0,1,1,0,0,0|2,0,0]=4 139 B13R2.32 CC1=C(C2=C(C=CC=C2)C=C1)N S779156 [1,1,0,0,0,0|2,0,0]=4 140 B13R2.32 CC1=C(C2=C(C=CC=C2)N=C1)C PH006874 [1,1,0,0,0,0|2,0,0]=4 141 B13R2.32 CC1=C(C=NC2=C1C=CC=C2)N R262064 [1,1,0,0,0,0|2,0,0]=4 142 B13R2.32 CC1=[N+](C2=C(C=CC=C2)C=C1)C S11313 [1,1,0,0,0,0|2,0,0]=4 143 B13R2.32 CC1=[N+](C2=C(C=CC=C2)C=C1)C S832863 [1,1,0,0,0,0|2,0,0]=4 144 B13R2.32 CN1C(=S)C=CC2=C1C=CC=C2 S628654 [1,1,0,0,0,0|1,1,0]=4 145 B13R2.32 ClC1=C(C2=CC=CC=C2N=C1)Br BBO000622 [1,1,0,0,0,0|2,0,0]=4 146 B13R2.32 ClC1=C(C=NC2=C1C=CC=C2)I SYX00306 [1,1,0,0,0,0|2,0,0]=4 147 B13R2.32 ClC1=C(C=NC2=CC=CC=C12)Br BBO000332 [1,1,0,0,0,0|2,0,0]=4 148 B13R2.32 NC1=C(C2=C(C=CC=C2)C=C1)Cl S287989 [1,1,0,0,0,0|2,0,0]=4 149 B13R2.32 NC1=C(C2=CC=CC=C2C=C1)O CDS000188 [1,1,0,0,0,0|2,0,0]=4 150 B13R2.32 NC1=C(C=NC2=C1C=CC=C2)Br BBO000629 [1,1,0,0,0,0|2,0,0]=4 151 B13R2.32 O=C1C=CC2=C(N1O)C=CC=C2 PH008969 [1,1,0,0,0,0|1,0,0]=3 152 B13R2.32 OC1=C(C=NC2=C1C=CC=C2)I SYX00005 [1,1,0,0,0,0|2,0,0]=4 153 B13R2.32 OC1=C(C=NC2=CC=CC=C12)Br BBO000325 [1,1,0,0,0,0|2,0,0]=4 154 B13R2.32 OC1=CN=C2C=CC=NC2=C1I ADE000865 [1,1,0,0,0,0|2,0,0]=4 155 B13R2.57 C#CC1=CC=C2C=CC=CC2=C1 CDS008002 [1,1,0,0,0,0|2,0,0]=4 156 B13R2.57 C(=O)C1=CC=C2C=CC=NC2=C1 CDS007586 [1,1,0,0,0,0|2,0,0]=4 157 B13R2.57 COC1=CC=C2C=CC=CC2=N1 T170909 [1,1,0,0,0,0|1,0,1]=4 158 B13R2.57 COC1=CC=C2C=NC=CC2=C1 T170895 [1,1,0,0,0,0|2,0,0]=4 159 B13R2.57 COC1=CN=C2C=CC=NC2=C1 ADE000867 [1,1,0,0,0,0|2,0,0]=4 160 B13R2.57 ClCC1=CC=C2C=CC=CC2=N1 TMT00192 [1,1,0,0,0,0|2,0,0]=4 161 B13R2.57 NCC1=CC=C2C=CC=CC2=N1 CDS018131 [1,1,0,0,0,0|2,0,0]=4 162 B13R2.57 NCC1=CC=C2C=CC=CC2=N1 CDS021870 [1,1,0,0,0,0|2,0,0]=4 163 B13R2.57 NCC1=CN=C2C=CC=CC2=C1 CDS007196 [1,1,0,0,0,0|2,0,0]=4 164 B13R2.57 O=CC1=CC2=C(C=C1)N=CC=C2 CDS013832 [1,1,0,0,0,0|2,0,0]=4 165 B13R2.57 O=CC1=CC2=CC=CC=C2C=N1 CDS008037 [1,1,0,0,0,0|2,0,0]=4 166 B13R2.57 O=CC1=CN=C2C=CC=CC2=N1 CDS015095 [1,1,0,0,0,0|2,0,0]=4 167 B13R2.57 OCC1=CC=C2C=CC=CC2=N1 CDS014253 [1,1,0,0,0,0|1,0,1]=4 168 B13R2.57 OCC1=CN=C2C=CC=NC2=C1 ADE000879 [1,1,0,0,0,0|2,0,0]=4 169 B13R2.155 CC1=CN=C2C=CC(=CC2=C1)Br BBO000749 [1,1,0,0,0,0|2,0,0]=4 170 B13R2.155 CC1=CN=C2C=CC(=CC2=C1)Br CDS010158 [1,1,0,0,0,0|2,0,0]=4 171 B13R2.155 CC1=NC2=CC(=CC=C2C=C1)Br BBO000574 [1,1,0,0,0,0|2,0,0]=4 172 B13R2.155 ClC1=NC2=CC(=CC=C2C=C1)Br BBO000071 [1,1,0,0,0,0|2,0,0]=4 173 B13R2.155 NC1=CC2=CC(=CC=C2N=C1)Br BBO000553 [1,1,0,0,0,0|2,0,0]=4 174 B13R2.155 NC1=CC=C2C=CC(=O)OC2=C1 CDS022443 [1,1,0,0,0,0|0,0,0]=2 175 B13R2.155 O=C1C=CC2=C(O1)N=C(C=C2)O PH009034 [1,1,0,0,0,0|1,0,0]=3 176 B13R2.155 O=C1CCC2=C(O1)C=C(C=C2)Br IDF00036 [1,1,0,0,0,0|0,0,2]=4 177 B13R2.155 OC1=CC2=CC(=CC=C2N=C1)Br BBO000554 [1,1,0,0,0,0|1,0,0]=3 178 B13R2.162 CC1=CC=C2C=CC=C(C2=N1)N CDS000034 [1,1,0,0,0,0|2,0,0]=4 179 B13R2.162 CC1=CC=CC2=C1N=C(C=C2)C R158348 [1,1,0,0,0,0|2,0,0]=4 180 B13R2.162 ClC1=NC2=C(C=CC=C2C=C1)Br KOB0136 [1,1,0,0,0,0|2,0,0]=4 181 B13R2.162 O=C1C=CC2=C(N1)C(=CN=C2)Br VBP00003 [1,1,0,0,0,0|2,0,0]=4 182 B13R2.162 O=C1C=CC2=CC=CC(=C2N1)Br KOB0160 [1,1,0,0,0,0|1,0,0]=3 183 B13R2.328 CC1=CC(=NC2=CC=CC=C12)N BBO000578 [1,1,0,0,0,0|2,0,0]=4 184 B13R2.328 CC1=CC(=O)OC2=C1C=CC=C2 S97102 [1,1,0,0,0,0|0,0,0]=2 185 B13R2.328 NC1=CC(=O)OC2=C1C=CC=C2 S732184 [1,1,0,0,0,0|0,0,0]=2 186 B13R2.328 NC1=NC2=C(C=CC=C2)C(=C1)O R240303 [1,1,0,0,0,0|2,0,0]=4 187 B13R2.328 O=C1C=C(C2=CC=CC=C2N1)O CDS019926 [1,1,0,0,0,0|1,0,0]=3 188 B13R2.328 O=C1C=C([N+]2=C(N1)C=CC=C2)[O-] R973165 [1,1,0,0,0,0|2,0,0]=4 189 B13R2.328 OC1=CC2=C(C=CC=C2)C(=N1)O S943460 [1,1,0,0,0,0|2,0,0]=4 190 B13R2.3683 CC1=CC2=C(C=C1)C=C(C=C2)F PH010449 [1,1,0,0,0,0|2,0,0]=4 191 B13R2.3683 CC1=CC2=C(C=C1)NC(=CO2)O PH001606 [1,1,0,0,0,0|1,0,0]=3 192 B13R2.3683 CC1=CC=C2C=C(C=CC2=C1)I PH005825 [1,1,0,0,0,0|2,0,0]=4 193 B13R2.3683 CC1=CC=C2C=C(C=NC2=C1)N BBO000645 [1,1,0,0,0,0|2,0,0]=4 194 B13R2.3683 CC1=CC=C2OC(=O)CCC2=C1 IDF00001 [1,1,0,0,0,0|0,0,2]=4 195 B13R2.3683 CC1=NC2=C(C=C1)C=C(C=C2)N R396583 [1,1,0,0,0,0|2,0,0]=4 196 B13R2.3683 ClC1=CC=C2C=C(C=CC2=C1)Cl R415464 [1,1,0,0,0,0|2,0,0]=4 197 B13R2.3683 NC1=CC2=CC=C(C=C2C=C1)O PH007390 [1,1,0,0,0,0|1,0,0]=3 198 B13R2.3683 NC1=CC=C2OC(=O)C=CC2=C1 CDS000898 [1,1,0,0,0,0|0,0,0]=2 199 B13R2.3683 NC1=CC=C2OC(=O)C=CC2=C1 CDS019990 [1,1,0,0,0,0|0,0,0]=2 200 B13R2.3683 NC1=CN=C2C=C(C=CC2=C1)Br CDS024307 [1,1,0,0,0,0|2,0,0]=4 201 B13R2.3683 NC1=CN=C2C=C(C=CC2=C1)F CDS024308 [1,1,0,0,0,0|2,0,0]=4 202 B13R2.3683 NC1=NC2=C(C=C1)C=C(C=C2)Br BBO000551 [1,1,0,0,0,0|2,0,0]=4 203 B13R2.3683 O=C1C=CC2=C(O1)C=CC(=C2)Cl PH007228 [1,1,0,0,0,0|0,0,0]=2 204 B13R2.3683 O=C1C=CC2=CC(=CC=C2N1)Br CDS006965 [1,1,0,0,0,0|1,0,0]=3 205 B13R2.3683 O=C1C=CC2=CC(=CC=C2N1)O CDS004847 [1,1,0,0,0,0|1,0,0]=3 206 B13R2.3683 O=C1CCC2=CC(=CC=C2O1)Br PH010437 [1,1,0,0,0,0|0,0,2]=4 207 B13R2.3683 OC1=NC2=CC=C(C=C2C=C1)Br BBO000085 [1,1,0,0,0,0|1,0,1]=4 208 B13R2.5179 ClC1=NC2=CC=CC(=C2C=C1)Br BBO000549 [1,1,0,0,0,0|2,0,0]=4 209 B13R2.5179 NC1=C2C=CC(=CC2=CC=C1)O CDS000157 [1,1,0,0,0,0|1,0,0]=3 210 B13R2.5179 NC1=CC2=C(C=C1)C(=CC=C2)O CDS000002 [1,1,0,0,0,0|2,0,0]=4 211 B13R2.5179 NC1=CC2=CC=CC(=C2N=C1)Br BBO000641 [1,1,0,0,0,0|2,0,0]=4 212 B13R2.45 C(=O)C1=C(C2=C(O1)C=CC=C2)C L169501 [0,1,0,0,1,0|1,0,0]=3 213 B13R2.45 N/C=C/1\CC2=C(C1=O)C=CC=C2 PH000641 [0,1,0,0,1,0|1,0,1]=4 214 B13R2.135 CC1=C(C2=CC=CC=C2O1)C#N T327042 [0,1,0,0,1,0|2,0,0]=4 215 B13R2.135 CC1=C(C2=CC=CC=C2O1)C=O CDS002371 [0,1,0,0,1,0|1,0,1]=4 216 B13R2.135 N1C(=O)/C(=N\O)/C2=C1C=CC=C2 T308250 [0,1,0,0,1,0|1,0,0]=3 217 B13R2.135 NCC1=C(NC2=CC=CC=C12)O PH019069 [0,1,0,0,1,0|2,0,0]=4 218 B13R2.135 O=C1NC2=CC=CC=C2N1CO PH007132 [0,1,0,0,1,0|2,0,0]=4 219 B13R2.135 O=C1SC2=C(N1CO)C=CC=C2 R587532 [0,1,0,0,1,0|1,1,0]=4 220 B13R2.135 OCN1C(=S)OC2=C1C=CC=C2 R240605 [0,1,0,0,1,0|1,1,0]=4 221 B13R2.135 OCN1C(=S)OC2=C1C=CC=C2 R587117 [0,1,0,0,1,0|1,1,0]=4 222 B13R2.3028 CC1=C(C2=C(O1)C=CC(=C2)N)C CDS024504 [0,1,0,0,1,0|2,0,0]=4 223 B13R2.3028 O=C1CC2=C(N1O)C=C(C=C2)Cl PH008424 [0,1,0,0,1,0|2,0,0]=4 224 B13R2.3028 O=C1NC2=C(C1O)C=C(C=C2)Br PH011113 [0,1,0,0,1,0|1,0,1]=4 225 B13R2.3085 C1(C(=O)C2=C(C1=O)C=CC=C2)C R152196 [0,1,0,0,1,0|1,0,1]=4 226 B13R2.3085 CN1C2=CC=CC=C2C(=C1O)N PH019068 [0,1,0,0,1,0|2,0,0]=4 227 B13R2.4825 CC1=CC=CC2=C1NC(=O)C2=O S639125 [0,1,0,0,1,0|1,0,1]=4 228 B13R2.4856 N1C(=O)C(=O)C2=C1C=CC=C2Cl S337161 [0,1,0,0,1,0|1,0,1]=4 229 B13R2.4856 O=C1NC2=C(C1=O)C(=CC=C2)Br PH016095 [0,1,0,0,1,0|1,0,1]=4 230 B13R2.4856 O=C1NC2=C(C1=O)C(=CC=C2)F CDS020844 [0,1,0,0,1,0|1,0,1]=4 231 B13R2.5190 CC1=CC=C2C(=O)C(=O)NC2=C1 CDS020596 [0,1,0,0,1,0|1,0,1]=4 232 B13R2.5190 O=C1NC2=C(C1=O)C=CC(=C2)Br CDS000133 [0,1,0,0,1,0|1,0,1]=4 233 B13R2.5190 O=C1NC2=C(C1=O)C=CC(=C2)I T281182 [0,1,0,0,1,0|1,0,1]=4 234 B13R2.5190 O=C1NC2=CC(=CC=C2C1=O)Cl CDS000344 [0,1,0,0,1,0|1,0,1]=4 235 B13R2.5190 O=C1NC2=CC(=CC=C2C1=O)F PH010436 [0,1,0,0,1,0|1,0,1]=4 236 B15R2.117 OCC1=CC2=C(C=CC=C2)C=C1CO S337099 [0,2,0,0,0,0|1,0,1]=4 237 B15R2.274 C(=O)C1=C(C2=C(C=CC=C2)OC1=O)O L481548 [0,2,0,0,0,0|0,0,1]=3 238 B15R2.274 CC1=NC2=CC=CC=C2C(=C1CO)O T323853 [0,2,0,0,0,0|2,0,0]=4 239 B15R2.274 O=C\1NC2=C(C=CC=C2)C(=O)/C1=N/O R260134 [0,2,0,0,0,0|1,0,0]=3 240 B15R2.984 CC1=NC2=C(C=CC=C2)C=C1C(=O)O BBO000693 [0,2,0,0,0,0|2,0,0]=4 241 B15R2.984 N=C1OC2=C(C=CC=C2)C=C1C(=[Se])N R381659 [0,2,0,0,0,0|1,1,0]=4 242 B15R2.984 OB(O)C1=CC2=CC=CC=C2N=C1O CDS023323 [0,2,0,0,0,0|1,0,1]=4 243 B15R2.1754 CC1=CC=C2C=C(C(=NC2=C1)Cl)CO BBO000263 [0,2,0,0,0,0|2,0,0]=4 244 B15R2.1754 O=CC1=CC2=CC=C(C=C2N=C1O)Cl BBO000253 [0,2,0,0,0,0|2,0,0]=4 245 B15R2.1754 OCC1=CC2=CC=C(C=C2N=C1Cl)Br BBO000271 [0,2,0,0,0,0|2,0,0]=4 246 B15R2.1824 CC1=CC=C2N=C(C(=CC2=C1)CO)Cl BBO000261 [0,2,0,0,0,0|2,0,0]=4 247 B15R2.1824 O=CC1=CC2=CC(=CC=C2N=C1O)Cl BBO000252 [0,2,0,0,0,0|2,0,0]=4 248 B15R2.1824 OCC1=CC2=CC(=CC=C2N=C1Cl)Br BBO000269 [0,2,0,0,0,0|2,0,0]=4 249 B15R2.1824 OCC1=CC2=CC(=CC=C2N=C1Cl)Cl BBO000254 [0,2,0,0,0,0|2,0,0]=4 250 B15R2.2039 CC1=C2N=C(C(=CC2=CC=C1)CO)Cl BBO000265 [0,2,0,0,0,0|2,0,0]=4 251 B15R2.21243 CN1C(=O)C(=CC2=CC=CC=C12)CO T326062 [0,2,0,0,0,0|1,0,0]=3 252 B15R2.9032 O=C1C2=CC=CC=C2C(=O)C(=C1O)Cl PH010057 [0,2,0,0,0,0|2,0,0]=4 253 B15R2.63893 CC1=C(C2=C(C=C(C=C2)O)OC1=O)C R104418 [0,2,0,0,0,0|1,0,0]=3 254 B15R2.63893 O=C1OC2=C(C=CC(=C2)O)C(=O)C1F R515922 [0,2,0,0,0,0|1,0,1]=4 255 B13R2.373 O=C1C=C(C1=O)C2=CC=CC=C2 L160377 [0,0,1,1,0,0|1,0,1]=4 256 B13R2.435 NC(=O)C1=CC2=C(O1)C=CC=C2 S815276 [0,0,1,1,0,0|1,0,0]=3 257 B13R2.435 O=C(O)C1=CC2=CC=CN=C2N1 CDS009698 [0,0,1,1,0,0|2,0,0]=4 258 B13R2.435 O=C(O)C1=CN2C=CC=CC2=C1 CDS009157 [0,0,1,1,0,0|2,0,0]=4 259 B13R2.435 O=C(O)C1=NN2C=CC=CC2=C1 CDS020355 [0,0,1,1,0,0|2,0,0]=4 260 B13R2.435 O=C(O)C1OC2=C(O1)C=CC=C2 PH010404 [0,0,1,1,0,0|1,0,1]=4 261 B15R3.4266 C1=CC2=C(C=C1)C=C3OCOC3=C2 S589012 [0,1,0,1,0,0|1,0,1]=4 262 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 S684473 [0,0,1,0,1,0|0,0,1]=3 263 B11R1.36 O=C(O)C(S)C1=CC=CC=C1 TMT00523 [0,0,1,0,1,0|0,1,1]=4 264 B11R1.36 O=P(O)C(O)C1=CC=CC=C1 S576263 [0,0,1,0,1,0|1,0,1]=4 265 B11R1.222 NC1=C(C=CC=C1)C(=O)NO PH006839 [0,0,1,0,1,0|2,0,0]=4 266 B11R2.1 BrC1=COC2=CC=CC=C12 CDS016824 [1,0,0,0,1,0|1,0,0]=3 267 B11R2.1 CC1=NOC2=C1C=CC=C2 T328049 [1,0,0,0,1,0|2,0,0]=4 268 B11R2.1 ClC1=NOC2=C1C=CC=C2 PH002974 [1,0,0,0,1,0|2,0,0]=4 269 B11R2.1 NC1=NOC2=C1C=CC=C2 CDS013958 [1,0,0,0,1,0|2,0,0]=4 270 B11R2.1 O=C1NCC2=C1C=CC=C2 CDS020611 [1,0,0,0,1,0|1,0,1]=4 271 B11R2.1 O=C1O[Hg]C2=C1C=CC=C2 S576360 [1,0,0,0,1,0|2,0,0]=4 272 B11R2.1 SC1=CNC2=C1C=CC=C2 CDS014121 [1,0,0,0,1,0|1,1,0]=4 273 B11R2.10 O=C1NC2=NC=CC=C2O1 CDS005683 [1,0,0,0,1,0|2,0,0]=4 274 B11R2.10 S=C1NC2=C(O1)C=CC=C2 PH000231 [1,0,0,0,1,0|1,1,0]=4 275 B11R2.10 S=C1NC2=C(O1)C=CC=C2 PH000865 [1,0,0,0,1,0|1,1,0]=4 276 B11R2.10 S=C1OC2=C(O1)C=CC=C2 L162752 [1,0,0,0,1,0|1,1,0]=4 277 B11R2.36 OC1=CN=C2C=CNC2=C1 ADE000960 [1,0,0,0,1,0|2,0,0]=4 278 B11R2.36 OC1=CN=C2C=COC2=C1 ADE001146 [1,0,0,0,1,0|2,0,0]=4 279 B11R2.36 OC1=CN=C2NC=CC2=C1 ADE000886 [1,0,0,0,1,0|2,0,0]=4 280 B13R1.348 CC(=CC1=CC=CC=C1)CC(=O)N PH011402 [0,0,1,0,0,1|2,0,0]=4 281 B13R1.348 CC(=O)NC(=CC1=CC=CC=C1)Cl S286737 [0,0,1,0,0,1|2,0,0]=4 282 B13R1.351 C/C(=N\NC1=CC=CC=C1)/C(=O)O R260630 [0,0,1,0,0,1|2,0,0]=4 283 B13R1.351 C=C(C)C(=O)NCC1=CC=CC=C1 S529591 [0,0,1,0,0,1|2,0,0]=4 284 B13R1.351 CC(=O)C(=O)OCC1=CC=CC=C1 PH009541 [0,0,1,0,0,1|0,0,2]=4 285 B13R1.351 CC(O)C(=O)OCC1=CC=CC=C1 S240338 [0,0,1,0,0,1|0,0,2]=4 286 B13R1.351 CC(O)C(=O)OCC1=CC=CC=C1 S949906 [0,0,1,0,0,1|0,0,2]=4 287 B13R1.351 CC(O)C(=O)O[Hg]C1=CC=CC=C1 S354589 [0,0,1,0,0,1|0,0,2]=4 288 B13R1.351 O=C(O)C(=O)CCC1=CC=CC=C1 CDS007841 [0,0,1,0,0,1|0,0,2]=4 289 B13R1.528 O=C(COC1=CC=CC=C1Cl)NO PH008683 [0,0,1,0,0,1|2,0,0]=4 290 B13R2.33 O=C1C=CC2=C(C=CC=C2)CC1 T199605 [1,0,0,0,0,1|1,0,0]=3 291 B13R2.33 O=C1C=CC2=CC=CC=C2C=C1 T176389 [1,0,0,0,0,1|1,0,0]=3 292 B15R2.8624 CC1=CC=CC2=CC=CC=C2NC1=O T199400 [0,0,0,0,0,2|2,0,0]=4