0 B12R1.5 C#CC1=CC=C(C(=O)OC)C=C1 CS-W007435 [0,0,0,0,0,0|1,0,1]=2 1 B12R1.5 C#CC1=NC=C(C(=O)OC)C=C1 CS-0043883 [0,0,0,0,0,0|2,0,1]=3 2 B12R1.5 C=CC1=CC=C(C(=O)OC)C=C1 CS-W008542 [0,0,0,0,0,0|1,0,1]=2 3 B12R1.5 COC(=O)C1=CC=C(C#N)N=C1 CS-0044469 [0,0,0,0,0,0|3,0,0]=3 4 B12R1.5 COC(=O)C1=CC=C(CN)C=C1 CS-B1334 [0,0,0,0,0,0|2,0,0]=2 5 B12R1.5 COC(=O)C1=CC=C(OC)C=C1 CS-W016058 [0,0,0,0,0,0|0,0,0]=0 6 B12R1.5 COC(=O)C1=CN=C(OC)C=C1 CS-W005354 [0,0,0,0,0,0|1,0,0]=1 7 B12R1.5 N#CC1=CC=C(C(=O)NN)C=C1 CS-W020613 [0,0,0,0,0,0|4,0,0]=4 8 B11R1.3 C#CC1=CC=C(C(=O)O)C=C1 CS-W007533 [1,0,0,0,0,0|1,0,1]=3 9 B11R1.3 CC(=O)C1=CC=C(C=O)C=C1 CS-W023080 [1,0,0,0,0,0|2,0,0]=3 10 B11R1.3 CC(=O)C1=CC=C(CN)C=C1 CS-0101890 [1,0,0,0,0,0|2,0,0]=3 11 B11R1.3 CCC1=CC=C(B(O)O)C=C1 CS-W018163 [1,0,0,0,0,0|2,0,1]=4 12 B11R1.3 CNC1=CC=C(C(=O)O)C=C1 CS-0029513 [1,0,0,0,0,0|1,0,0]=2 13 B11R1.3 CNC1=CC=C([N+](=O)[O-])C=C1 CS-0011554 [1,0,0,0,0,0|2,0,1]=4 14 B11R1.3 COC1=CC=C(C(=N)N)C=C1 CS-0042893 [1,0,0,0,0,0|2,0,0]=3 15 B11R1.3 COC1=CC=C(C(C)=O)C=N1 CS-W009176 [1,0,0,0,0,0|1,0,0]=2 16 B11R1.3 COC1=CC=C(C(C)N)C=C1 CS-0094463 [1,0,0,0,0,0|1,0,1]=3 17 B11R1.3 COC1=CC=C([C@@H](C)O)C=C1 CS-0030800 [1,0,0,0,0,0|0,0,2]=3 18 B11R1.3 COC1=CC=C([C@H](C)N)C=C1 CS-W009113 [1,0,0,0,0,0|1,0,1]=3 19 B11R1.3 COC1=CC=C([N+](=O)[O-])C=N1 CS-0082347 [1,0,0,0,0,0|2,0,1]=4 20 B11R1.3 COC1=NC=C(C(=O)O)C=C1 CS-W004797 [1,0,0,0,0,0|1,0,0]=2 21 B11R1.3 NNC1=CC=C(C(=O)O)C=C1 CS-W015985 [1,0,0,0,0,0|2,0,0]=3 22 B11R1.3 O=C(O)C1=CC=C(CO)C=C1 CS-W018100 [1,0,0,0,0,0|2,0,0]=3 23 B11R1.22 CC1=CC=C(C(=O)CBr)C=C1 CS-W007335 [1,0,0,0,0,0|2,0,0]=3 24 B11R1.22 CCC(=O)C1=CC=C(F)C=C1 CS-0059258 [1,0,0,0,0,0|2,0,0]=3 25 B11R1.22 CNC(=O)C1=CC=C(N)C=C1 CS-W018773 [1,0,0,0,0,0|2,0,0]=3 26 B11R1.22 COC(=O)C1=CC=C(C)C=C1 CS-0008417 [1,0,0,0,0,0|0,0,0]=1 27 B11R1.22 COC(=O)C1=CC=C(C)C=C1 CS-M1189 [1,0,0,0,0,0|0,0,0]=1 28 B11R1.22 COC(=O)C1=COC(=O)C=C1 CS-W008753 [1,0,0,0,0,0|1,0,1]=3 29 B11R1.22 COC(=O)C1=NC=C(Br)C=C1 CS-D0954 [1,0,0,0,0,0|2,0,0]=3 30 B11R1.22 COC(=O)C1=NC=C(Br)N=C1 CS-W019731 [1,0,0,0,0,0|3,0,0]=4 31 B11R1.22 COC(=O)C1=NC=C(O)C=C1 CS-W005963 [1,0,0,0,0,0|1,0,0]=2 32 B11R1.83 CNCC1=CC=C(OC)C=C1 CS-D0541 [1,0,0,0,0,0|1,0,1]=3 33 B13R1.537 NOC(=O)C1=CC=C([N+](=O)[O-])C=C1 CS-W005046 [0,1,0,0,0,0|3,0,0]=4 34 B13R1.3088 COC(=O)C1=CC(Cl)=C(C=O)C=C1 CS-0042802 [0,1,0,0,0,0|2,0,0]=3 35 B13R1.3088 COC(=O)C1=CC(F)=C(C=O)C=C1 CS-W018604 [0,1,0,0,0,0|2,0,0]=3 36 B13R1.3088 COC(=O)C1=CC=C(C#N)C(C)=C1 CS-W022852 [0,1,0,0,0,0|2,0,0]=3 37 B13R1.3088 COC(=O)C1=CC=C(OC)C(Br)=C1 CS-W012726 [0,1,0,0,0,0|0,0,0]=1 38 B11R1.44 COC(=O)C1=CC=C(CCl)O1 CS-W017480 [0,0,0,0,1,0|3,0,0]=4 39 B11R1.44 COC(=O)C1=CC=C(CO)N1 CS-0102080 [0,0,0,0,1,0|3,0,0]=4 40 B13R1.5 COC(=O)CC1=CC=C(C=O)C=C1 CS-W019639 [0,0,0,0,0,1|2,0,0]=3 41 B10R1.3 C=CC1=CC=C(OC)C=C1 CS-W013377 [2,0,0,0,0,0|0,0,1]=3 42 B10R1.3 COC1=CC=C(C=O)C=N1 CS-D0960 [2,0,0,0,0,0|1,0,0]=3 43 B10R1.3 COC1=CC=C(CO)C=C1 CS-W016493 [2,0,0,0,0,0|0,0,1]=3 44 B10R1.3 COC1=CC=C(CO)C=N1 CS-W018598 [2,0,0,0,0,0|1,0,1]=4 45 B10R1.3 COC1=CC=C(OC)C=C1 CS-W016496 [2,0,0,0,0,0|0,0,0]=2 46 B10R1.3 O=CC1=CC=C(C=O)C=C1 CS-W020006 [2,0,0,0,0,0|2,0,0]=4 47 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 CS-W020546 [2,0,0,0,0,0|1,0,0]=3 48 B10R1.13 CC(=O)C1=CC=C(C)C=C1 CS-W013369 [2,0,0,0,0,0|0,0,0]=2 49 B10R1.13 CC(=O)C1=CC=C(F)C=C1 CS-W020117 [2,0,0,0,0,0|1,0,0]=3 50 B10R1.13 CC1=CC=C(S(=O)[O-])C=C1 CS-B1315 [2,0,0,0,0,0|1,0,1]=4 51 B10R1.13 CC1=CN=C(C(=O)O)C=C1 CS-D1603 [2,0,0,0,0,0|1,0,0]=3 52 B10R1.13 CC1=CN=C(C(=O)O)N=C1 CS-W022418 [2,0,0,0,0,0|2,0,0]=4 53 B10R1.13 Cc1ccc(C(C)C)cc1 CS-0016226 [2,0,0,0,0,0|1,0,1]=4 54 B10R1.13 N=C1C=CC(C(=O)O)=CN1 CS-W016509 [2,0,0,0,0,0|2,0,0]=4 55 B10R1.13 NC(=O)C1=CC=C(Cl)C=C1 CS-W019519 [2,0,0,0,0,0|2,0,0]=4 56 B10R1.13 NC(=O)C1=CC=C(N)C=C1 CS-W017757 [2,0,0,0,0,0|2,0,0]=4 57 B10R1.13 NC(=S)C1=CC=C(O)C=C1 CS-W018071 [2,0,0,0,0,0|1,1,0]=4 58 B10R1.13 NC1=CN=C(C(=O)O)C=C1 CS-D0614 [2,0,0,0,0,0|2,0,0]=4 59 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 CS-M3680 [2,0,0,0,0,0|1,0,0]=3 60 B10R1.13 O=C(O)C1=CC=C(I)C=C1 CS-W014112 [2,0,0,0,0,0|1,0,0]=3 61 B10R1.13 O=C(O)C1=NN=C(O)C=C1 CS-W005425 [2,0,0,0,0,0|2,0,0]=4 62 B10R1.13 OB(O)C1=CC=C(O)C=C1 CS-D1375 [2,0,0,0,0,0|1,0,1]=4 63 B10R1.15 COC(=O)C1=CC=NC=C1 CS-D1405 [2,0,0,0,0,0|1,0,0]=3 64 B10R1.15 COC(=O)C1=NC=CC=N1 CS-M2690 [2,0,0,0,0,0|2,0,0]=4 65 B12R1.48 COC1=C(N)C=C(C(=O)O)C=C1 CS-W017841 [1,1,0,0,0,0|0,0,0]=2 66 B12R1.48 COC1=CC=C(B(O)O)C=C1C CS-W016067 [1,1,0,0,0,0|1,0,1]=4 67 B12R1.48 COC1=CC=C(B(O)O)C=C1F CS-0007621 [1,1,0,0,0,0|1,0,1]=4 68 B12R1.48 COC1=CC=C(C(C)N)C=C1F CS-0094690 [1,1,0,0,0,0|1,0,1]=4 69 B12R1.48 COC1=CC=C([N+](=O)[O-])C=C1N CS-0015286 [1,1,0,0,0,0|1,0,1]=4 70 B12R1.48 O=CC1=C(O)C=C(C(=O)O)C=C1 CS-W007759 [1,1,0,0,0,0|2,0,0]=4 71 B12R1.256 CC(=O)C1=CC=C(N(C)C)C=C1 CS-W007734 [1,1,0,0,0,0|1,0,0]=3 72 B12R1.256 CN(C)C1=CC=C(C(=O)O)C=C1 CS-W019576 [1,1,0,0,0,0|1,0,0]=3 73 B12R1.256 CN(C)C1=NC=C(C(=O)O)C=C1 CS-B1321 [1,1,0,0,0,0|2,0,0]=4 74 B12R1.256 C[C@H](N)C1=CC=C(C(=O)O)C=C1 CS-D0241 [1,1,0,0,0,0|1,0,0]=3 75 B12R1.256 O=C(O)C1=CC=C(B(O)O)C=C1 CS-W019665 [1,1,0,0,0,0|2,0,0]=4 76 B12R1.452 COC1=CC=C([N+](=O)[O-])C(C)=C1 CS-W017846 [1,1,0,0,0,0|1,0,1]=4 77 B12R1.452 COC1=CC=C([N+](=O)[O-])C(Cl)=C1 CS-0028772 [1,1,0,0,0,0|1,0,1]=4 78 B12R1.452 COC1=CC=C([N+](=O)[O-])C(N)=C1 CS-M1392 [1,1,0,0,0,0|1,0,1]=4 79 B12R1.452 COC1=CC=C([N+](=O)[O-])C(O)=C1 CS-W000056 [1,1,0,0,0,0|1,0,1]=4 80 B12R1.452 CSC1=CC=C(C(=O)O)C(C)=C1 CS-0102823 [1,1,0,0,0,0|0,1,0]=3 81 B12R1.452 N#CC1=CC=C(C(=O)O)C(Cl)=C1 CS-0042704 [1,1,0,0,0,0|2,0,0]=4 82 B12R1.9 COS(=O)(=O)C1=CC=C(C)C=C1 CS-0015899 [1,1,0,0,0,0|1,0,0]=3 83 B12R1.16 CCOC(=O)C1=CC=C(C)C=C1 CS-W020602 [1,1,0,0,0,0|0,0,0]=2 84 B12R1.16 CCOC(=O)C1=CC=C(C)N=C1 CS-0040862 [1,1,0,0,0,0|1,0,0]=3 85 B12R1.16 CCOC(=O)C1=CC=C(F)C=C1 CS-W017810 [1,1,0,0,0,0|1,0,0]=3 86 B12R1.16 CCOC(=O)C1=CN=C(Cl)C=C1 CS-W002340 [1,1,0,0,0,0|2,0,0]=4 87 B12R1.16 CCOC(=O)C1=CNC(=O)C=C1 CS-0029520 [1,1,0,0,0,0|1,0,1]=4 88 B12R1.16 CCOC(=O)C1=NC=C(C)C=C1 CS-0019228 [1,1,0,0,0,0|1,0,0]=3 89 B12R1.16 O=C(CCCl)C1=CC=C(F)C=C1 CS-0031428 [1,1,0,0,0,0|2,0,0]=4 90 B12R1.20 CC(Br)C(=O)C1=CC=C(Br)C=C1 CS-W012184 [1,1,0,0,0,0|2,0,0]=4 91 B12R1.20 CC1=CC=C(C(=O)C(C)Br)C=C1 CS-0102565 [1,1,0,0,0,0|1,0,0]=3 92 B12R1.20 CC1=CC=C(C(=O)C(O)O)C=C1 CS-W019211 [1,1,0,0,0,0|2,0,0]=4 93 B12R1.367 COC(=O)C1=CC(Br)=C(I)C=C1 CS-W014281 [1,1,0,0,0,0|1,0,0]=3 94 B12R1.367 COC(=O)C1=CC(Br)=C(O)C=C1 CS-W007901 [1,1,0,0,0,0|0,0,0]=2 95 B12R1.367 COC(=O)C1=CC(Cl)=C(F)C=C1 CS-W006070 [1,1,0,0,0,0|1,0,0]=3 96 B12R1.367 COC(=O)C1=CC(Cl)=C(N)C=C1 CS-W016935 [1,1,0,0,0,0|1,0,0]=3 97 B12R1.367 COC(=O)C1=CC(F)=C(Br)C=C1 CS-W005414 [1,1,0,0,0,0|1,0,0]=3 98 B12R1.367 COC(=O)C1=CC(N)=C(C)C=C1 CS-W010822 [1,1,0,0,0,0|0,0,0]=2 99 B12R1.367 COC(=O)C1=CC(N)=C(O)C=C1 CS-W005637 [1,1,0,0,0,0|0,0,0]=2 100 B12R1.367 COC(=O)C1=CC(O)=C(Br)C=C1 CS-W007973 [1,1,0,0,0,0|1,0,0]=3 101 B12R1.367 COC(=O)C1=CC=C(Cl)C(N)=C1 CS-W016934 [1,1,0,0,0,0|1,0,0]=3 102 B12R1.367 COC(=O)C1=CC=C(O)C(C)=C1 CS-W005275 [1,1,0,0,0,0|0,0,0]=2 103 B12R1.367 COC(=O)C1=NC=C(Br)C(C)=C1 CS-W009204 [1,1,0,0,0,0|2,0,0]=4 104 B12R1.1703 COC(=O)C1=C(Cl)C=C(F)C=C1 CS-W008330 [1,1,0,0,0,0|1,0,0]=3 105 B12R1.1703 COC(=O)C1=C(F)C=C(F)C=C1 CS-W004937 [1,1,0,0,0,0|1,0,0]=3 106 B12R1.1703 COC(=O)C1=C(O)C=C(I)C=C1 CS-W007286 [1,1,0,0,0,0|1,0,0]=3 107 B12R1.1703 COC(=O)C1=C(O)C=C(N)C=C1 CS-W017842 [1,1,0,0,0,0|1,0,0]=3 108 B12R1.1703 COC(=O)C1=CC=C(Cl)C=C1O CS-0037284 [1,1,0,0,0,0|1,0,0]=3 109 B12R1.1703 COC(=O)C1=CC=C(O)C=C1Cl CS-W018652 [1,1,0,0,0,0|0,0,0]=2 110 B12R1.1703 COC(=O)C1=NC=C(Br)C=C1Cl CS-W007073 [1,1,0,0,0,0|2,0,0]=4 111 B12R1.1703 COC(=O)C1=NC=C(Br)C=C1O CS-W022863 [1,1,0,0,0,0|2,0,0]=4 112 B14R1.2879 COC(=O)CC1=CC=C(C(=O)O)C=C1 CS-0105464 [0,1,0,0,0,1|2,0,0]=4 113 B14R1.1128 COC(=O)C1=CC=C([N+](=O)[O-])C=C1C CS-0044777 [0,2,0,0,0,0|2,0,0]=4 114 B14R1.718 COC(=O)C1=CN=C(C(=O)OC)C=C1 CS-W004879 [0,2,0,0,0,0|1,0,0]=3 115 B14R1.718 COC(=O)C1=CN=C(C(=O)OC)C=N1 CS-M0629 [0,2,0,0,0,0|2,0,0]=4 116 B14R1.6720 CCOC1=C(Cl)C=C(C(=O)OC)C=C1 CS-0091342 [0,2,0,0,0,0|0,0,0]=2 117 B14R1.610 CCOC(=O)C1=CC=C(N(C)C)C=C1 CS-0030547 [0,2,0,0,0,0|1,0,0]=3 118 B14R1.747 COC(=O)C1=CC(C)=C(B(O)O)C=C1 CS-0030805 [0,2,0,0,0,0|2,0,0]=4 119 B12R1.24 COC(=O)C1=CC=CC(C)=C1C CS-W006309 [0,0,1,1,0,0|1,0,1]=4 120 B12R1.24 COC(=O)C1=CC=CC(C)=C1N CS-W020651 [0,0,1,1,0,0|2,0,0]=4 121 B12R2.612 NC1=CC2=C(C=C1)C(=O)OC2 CS-0059293 [1,0,0,1,0,0|1,0,0]=3 122 B12R2.612 O=C1CCC2=CC(F)=CC=C12 CS-W008930 [1,0,0,1,0,0|2,0,0]=4 123 B12R2.612 O=C1COC2=CC(O)=CC=C12 CS-M3296 [1,0,0,1,0,0|2,0,0]=4 124 B14R2.966 COC(=O)C1=CC2=C(C=C1)C=NN2 CS-D0838 [0,1,0,1,0,0|2,0,0]=4 125 B14R2.966 COC(=O)C1=CC2=C(C=C1)N=CN2 CS-W022885 [0,1,0,1,0,0|1,0,1]=4 126 B14R2.966 COC(=O)C1=CC2=C(C=C1)N=CO2 CS-0037045 [0,1,0,1,0,0|1,0,1]=4 127 B14R2.966 COC(=O)C1=CC=C2OC=NC2=C1 CS-0028769 [0,1,0,1,0,0|0,0,1]=3 128 B10R0.46 C=C(CC(=O)OC)C(=O)OC CS-W022632 [0,0,1,0,1,0|1,0,1]=4 129 B10R1.14 COC(=O)C1=CC(Br)=CO1 CS-M2917 [1,0,0,0,1,0|2,0,0]=4 130 B10R1.14 COC(=O)C1=CC=C(Cl)S1 CS-M2941 [1,0,0,0,1,0|2,0,0]=4 131 B10R1.14 COC(=O)C1=NN(C)C=C1 CS-0044505 [1,0,0,0,1,0|2,0,0]=4 132 B10R1.14 COC(=O)C1=NNC(C)=C1 CS-W008500 [1,0,0,0,1,0|2,0,0]=4 133 B12R1.49 CNC(=O)CC1=CC=C(Cl)C=C1 CS-0038025 [1,0,0,0,0,1|2,0,0]=4 134 B12R1.49 COC(=O)CC1=CC=C(Cl)C=C1 CS-W022850 [1,0,0,0,0,1|1,0,0]=3 135 B12R1.49 COC(=O)CC1=CC=C(F)C=C1 CS-W008065 [1,0,0,0,0,1|1,0,0]=3 136 B12R1.49 COC(=O)CC1=CC=C(N)C=C1 CS-0028736 [1,0,0,0,0,1|1,0,0]=3 137 B12R1.49 COC(=O)CC1=NC=C(Br)C=C1 CS-0036244 [1,0,0,0,0,1|2,0,0]=4 138 B12R1.435 CCC(=O)C1=CC(OC)=CC=C1 CS-0005775 [0,0,0,0,1,1|1,0,0]=3 139 B12R1.435 COC(=O)C1=NC(OC)=CC=C1 CS-W005843 [0,0,0,0,1,1|1,0,0]=3 140 B12R1.435 COC1=CC(C(=O)C=O)=CC=C1 CS-0042611 [0,0,0,0,1,1|2,0,0]=4