0 B12R1.16 CCOC(=O)C1=CC=C(N)C=C1 HY-Y0258 [0,0,0,0,0,0|0,0,0]=0 1 B12R1.16 CCOC(=O)C1=CC=C(N)C=C1 HY-Y0258A [0,0,0,0,0,0|0,0,0]=0 2 B12R1.16 CCOC(=O)C1=CC=C(N)C=C1 HY-Y0258R [0,0,0,0,0,0|0,0,0]=0 3 B12R1.16 CCOC(=O)C1=CC=C(O)C=C1 HY-B0934 [0,0,0,0,0,0|1,0,0]=1 4 B12R1.16 CCOC(=O)C1=CC=C(O)C=C1 HY-B0934R [0,0,0,0,0,0|1,0,0]=1 5 B12R1.16 CCOC(=O)C1=CN=C(Cl)N=C1 HY-W003995 [0,0,0,0,0,0|3,0,0]=3 6 B11R1.16 CCCC(=O)C1=CC=CC=C1 HY-W010265 [1,0,0,0,0,0|1,0,0]=2 7 B11R1.16 CCOC(=O)C1=CC=CC=C1 HY-W017439 [1,0,0,0,0,0|0,0,0]=1 8 B11R1.16 O=C(CCCl)C1=CC=CC=C1 HY-107857 [1,0,0,0,0,0|2,0,0]=3 9 B11R1.16 O=C(NCO)C1=CC=CN=C1 HY-116993 [1,0,0,0,0,0|3,0,0]=4 10 B11R1.22 CCC(=O)C1=CC=C(O)C=C1 HY-B1353 [1,0,0,0,0,0|1,0,0]=2 11 B11R1.22 CCC(C)C1=CC=C(O)C=C1 HY-23497 [1,0,0,0,0,0|2,0,1]=4 12 B11R1.22 COC(=O)C1=CC=C(O)C=C1 HY-N0349 [1,0,0,0,0,0|1,0,0]=2 13 B11R1.22 COC(=O)C1=CC=C(O)C=C1 HY-N0349R [1,0,0,0,0,0|1,0,0]=2 14 B11R1.22 COC(=O)C1=CN=C(C)C=C1 HY-76047 [1,0,0,0,0,0|2,0,0]=3 15 B11R1.22 COC(=O)C1=NC=C(Br)C=C1 HY-32778 [1,0,0,0,0,0|2,0,0]=3 16 B11R1.22 COC(=O)C1=NC=C(O)C=C1 HY-W005963 [1,0,0,0,0,0|2,0,0]=3 17 B11R1.22 NC1=CC=C(C(=O)O[Na])C=C1 HY-W010169 [1,0,0,0,0,0|1,0,0]=2 18 B11R1.22 NNC(=O)C1=CC=C(N)C=C1 HY-B0880 [1,0,0,0,0,0|2,0,0]=3 19 B11R1.22 O=C(CBr)C1=CC=C(F)C=C1 HY-W008598 [1,0,0,0,0,0|2,0,0]=3 20 B11R1.22 O=C(CBr)C1=CC=C(O)C=C1 HY-W002314 [1,0,0,0,0,0|2,0,0]=3 21 B11R1.22 O=C(O[Na])C1=CC=C(O)C=C1 HY-W010164 [1,0,0,0,0,0|2,0,0]=3 22 B13R1.17 CCCCC(=O)C1=CC=C(O)C=C1 HY-W016604 [0,1,0,0,0,0|2,0,0]=3 23 B13R1.17 CCCOC(=O)C1=CC=C(N)C=C1 HY-B1755 [0,1,0,0,0,0|0,0,0]=1 24 B13R1.17 CCCOC(=O)C1=CC=C(O)C=C1 HY-N2026 [0,1,0,0,0,0|1,0,0]=2 25 B13R1.17 CCCOC(=O)C1=CC=C(O)C=C1 HY-N2026R [0,1,0,0,0,0|1,0,0]=2 26 B13R1.29 CCOS(=O)(=O)C1=CC=C(C)C=C1 HY-W014895 [0,1,0,0,0,0|2,0,0]=3 27 B13R1.452 CCOC(=O)C1=CC=C(O[Na])C=C1 HY-W099118 [0,1,0,0,0,0|1,0,0]=2 28 B13R1.466 CCOC(=O)C1=CC(O)=C(O)C=C1 HY-W016409 [0,1,0,0,0,0|1,0,0]=2 29 B13R1.466 CNCC(=O)C1=CC=C(O)C(O)=C1 HY-B1308 [0,1,0,0,0,0|3,0,0]=4 30 B13R1.1511 CCOC(=O)C1=C(Cl)C=C(Cl)N=C1 HY-W002558 [0,1,0,0,0,0|2,0,0]=3 31 B13R2.5179 O=C1C=CC2=C(CCCC2=O)N1 HY-W017764 [0,0,0,1,0,0|3,0,0]=4 32 B13R2.5179 O=C1CCCC2=CC(Br)=CC=C12 HY-W008321 [0,0,0,1,0,0|2,0,0]=3 33 B13R2.5179 O=C1CCCC2=CC(O)=CC=C12 HY-W004882 [0,0,0,1,0,0|2,0,0]=3 34 B13R2.5187 O=C1OC(=O)C2=C1C=CC(F)=C2 HY-W015349 [0,0,0,1,0,0|2,0,1]=4 35 B11R1.15 CCOC(=O)C1=CN=C(Br)S1 HY-W002625 [0,0,0,0,1,0|3,0,0]=4 36 B11R1.15 CCOC(=O)C1=CN=C(N)S1 HY-50301 [0,0,0,0,1,0|2,0,0]=3 37 B11R1.15 CCOC(=O)C1=NNC(C)=C1 HY-34027 [0,0,0,0,1,0|3,0,0]=4 38 B13R1.19 CCOC(=O)CC1=CC=C(O)C=C1 HY-W016483 [0,0,0,0,0,1|1,0,0]=2 39 B10R1.1 CCOC1=CC=C(O)C=C1 HY-W015786 [2,0,0,0,0,0|1,0,0]=3 40 B10R1.17 OC\C=C\C1=CC=CC=C1 HY-N1867 [2,0,0,0,0,0|2,0,0]=4 41 B10R1.17 OC\C=C\C1=CC=CC=C1 HY-Y0078 [2,0,0,0,0,0|2,0,0]=4 42 B10R1.15 CCC(O)C1=CC=CC=C1 HY-W012618 [2,0,0,0,0,0|0,0,2]=4 43 B10R1.15 CNC(=O)C1=CC=CC=C1 HY-135848 [2,0,0,0,0,0|1,0,0]=3 44 B10R1.15 CNC(=O)C1=CC=CC=C1 HY-KE7004 [2,0,0,0,0,0|1,0,0]=3 45 B10R1.15 CNC(=O)C1=CC=CN=C1 HY-124124 [2,0,0,0,0,0|2,0,0]=4 46 B10R1.15 COC(=O)C1=CC=CC=N1 HY-W005458 [2,0,0,0,0,0|1,0,0]=3 47 B10R1.15 COC(=O)C1=NC=CC=N1 HY-78337 [2,0,0,0,0,0|2,0,0]=4 48 B10R1.15 O=C(NO)C1=CC=CC=C1 HY-Y1058 [2,0,0,0,0,0|2,0,0]=4 49 B10R1.15 O=C(O[K])C1=CC=CC=C1 HY-W103932 [2,0,0,0,0,0|1,0,0]=3 50 B10R1.15 O=C(O[Na])C1=CC=CC=C1 HY-Y1316 [2,0,0,0,0,0|1,0,0]=3 51 B10R1.15 O=S(O[Na])C1=CC=CC=C1 HY-W013598 [2,0,0,0,0,0|2,0,0]=4 52 B10R1.15 [Li]OC(=O)C1=CC=CC=C1 HY-N0216A [2,0,0,0,0,0|1,0,0]=3 53 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 HY-20436 [2,0,0,0,0,0|1,0,0]=3 54 B10R1.13 CC(=O)C1=CC=C(Br)N=C1 HY-60206 [2,0,0,0,0,0|2,0,0]=4 55 B10R1.13 CC(=O)C1=CC=C(C)C=C1 HY-W012653 [2,0,0,0,0,0|1,0,0]=3 56 B10R1.13 CC(=O)C1=CC=C(F)C=C1 HY-Y0779 [2,0,0,0,0,0|1,0,0]=3 57 B10R1.13 CC(=O)C1=CC=C(N)C=C1 HY-W008818 [2,0,0,0,0,0|0,0,0]=2 58 B10R1.13 CC(=O)C1=CC=C(O)C=C1 HY-Y0073 [2,0,0,0,0,0|1,0,0]=3 59 B10R1.13 CC(=O)C1=CC=C(O)C=C1 HY-Y0073R [2,0,0,0,0,0|1,0,0]=3 60 B10R1.13 CC1=CC=C(C(=O)O)C=C1 HY-76547 [2,0,0,0,0,0|1,0,0]=3 61 B10R1.13 CC1=NC=C(C(=O)O)C=C1 HY-W008333 [2,0,0,0,0,0|2,0,0]=4 62 B10R1.13 N=C(N)C1=CC=C(N)C=C1 HY-W018723 [2,0,0,0,0,0|2,0,0]=4 63 B10R1.13 NC(=O)C1=CC=C(N)C=C1 HY-W017041 [2,0,0,0,0,0|1,0,0]=3 64 B10R1.13 NC(=O)C1=CC=C(N)N=C1 HY-W010342 [2,0,0,0,0,0|2,0,0]=4 65 B10R1.13 NC(=O)C1=CC=C(O)C=C1 HY-W088191 [2,0,0,0,0,0|2,0,0]=4 66 B10R1.13 NC(=S)C1=CC=C(N)C=C1 HY-76144 [2,0,0,0,0,0|1,1,0]=4 67 B10R1.13 NC1=CC=C(C(=O)O)C=C1 HY-B1008 [2,0,0,0,0,0|0,0,0]=2 68 B10R1.13 NC1=CC=C(C(=O)O)C=C1 HY-B1008R [2,0,0,0,0,0|0,0,0]=2 69 B10R1.13 NC1=NC=C(C(=O)O)C=C1 HY-W015793 [2,0,0,0,0,0|1,0,0]=3 70 B10R1.13 O=C(O)C1=CC=C(Br)N=C1 HY-W002864 [2,0,0,0,0,0|2,0,0]=4 71 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 HY-41465 [2,0,0,0,0,0|1,0,0]=3 72 B10R1.13 O=C(O)C1=CC=C(F)C=C1 HY-W013677 [2,0,0,0,0,0|1,0,0]=3 73 B10R1.13 O=C(O)C1=CC=C(I)C=C1 HY-W013396 [2,0,0,0,0,0|1,0,0]=3 74 B10R1.13 O=C(O)C1=CC=C(O)C=C1 HY-Y0264 [2,0,0,0,0,0|1,0,0]=3 75 B10R1.13 O=C(O)C1=CC=C(O)C=C1 HY-Y0264R [2,0,0,0,0,0|1,0,0]=3 76 B10R1.13 O=C(O)C1=CC=C(O)N=C1 HY-W001996 [2,0,0,0,0,0|2,0,0]=4 77 B10R1.13 O=C(O)C1=NC=C(I)C=C1 HY-W041657 [2,0,0,0,0,0|2,0,0]=4 78 B10R1.13 O=C1C=CC(C(=O)O)=CO1 HY-32004 [2,0,0,0,0,0|2,0,0]=4 79 B12R1.21 CC(=O)O[Hg]C1=CC=C(N)C=C1 HY-148905 [1,1,0,0,0,0|1,0,1]=4 80 B12R1.17 CCOC(=O)C1=CC(N)=CC=C1 HY-W011777 [1,1,0,0,0,0|0,0,0]=2 81 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 HY-W013607 [1,1,0,0,0,0|1,0,1]=4 82 B12R1.107 CC(C)OC(=O)C1=CC=CC=C1 HY-W017195 [1,1,0,0,0,0|0,0,0]=2 83 B12R1.308 CCOC(=O)C1=C(C)N=CC=C1 HY-W010105 [1,1,0,0,0,0|1,0,0]=3 84 B12R1.308 CCOC(=O)C1=C(Cl)N=CC=C1 HY-W016216 [1,1,0,0,0,0|1,0,0]=3 85 B12R1.308 CCOC(=O)C1=CC=CC=C1O HY-Y1074 [1,1,0,0,0,0|0,0,0]=2 86 B12R1.5 C(=O)C1=CC=C(C(=O)OC)C=C1 HY-78000 [1,1,0,0,0,0|1,0,0]=3 87 B12R1.5 C=CC1=CC=C(C(=O)OC)C=C1 HY-W008542 [1,1,0,0,0,0|1,0,0]=3 88 B12R1.5 CCC1=CC=C(C(=O)OC)C=C1 HY-W099871 [1,1,0,0,0,0|1,0,0]=3 89 B12R1.5 COC(=O)C1=CC=C(OC)C=C1 HY-W015342 [1,1,0,0,0,0|1,0,0]=3 90 B12R1.5 COC(=O)C1=CC=C(O[Na])C=C1 HY-W016806 [1,1,0,0,0,0|1,0,0]=3 91 B12R1.5 COC1=CC=C(C(=O)CBr)C=C1 HY-W013478 [1,1,0,0,0,0|2,0,0]=4 92 B12R1.5 N#CC1=CC=C(C(=O)CBr)C=C1 HY-79638 [1,1,0,0,0,0|1,0,1]=4 93 B12R1.9 NC1=CC=C(S(=O)(=O)O[Na])C=C1 HY-W042216 [1,1,0,0,0,0|2,0,0]=4 94 B12R1.12 CCN(CC)C1=CC=C(N)C=C1 HY-W009425 [1,1,0,0,0,0|2,0,0]=4 95 B12R1.20 CC(Br)C(=O)C1=CC=C(Cl)C=C1 HY-W045376 [1,1,0,0,0,0|1,0,0]=3 96 B12R1.367 COC(=O)C1=CC(N)=C(O)C=C1 HY-W005637 [1,1,0,0,0,0|1,0,0]=3 97 B12R1.367 COC(=O)C1=CC=C(N)C(C)=C1 HY-W002375 [1,1,0,0,0,0|0,0,0]=2 98 B12R1.367 COC(=O)C1=CC=C(O)C(O)=C1 HY-Z0548 [1,1,0,0,0,0|1,0,0]=3 99 B12R1.1703 COC(=O)C1=C(Br)C=C(Cl)N=C1 HY-W022073 [1,1,0,0,0,0|2,0,0]=4 100 B12R1.1703 COC(=O)C1=C(O)C=C(O)C=C1 HY-W010076 [1,1,0,0,0,0|1,0,0]=3 101 B12R1.1703 NC1=CC(O)=C(C(=O)O[Na])C=C1 HY-I0447A [1,1,0,0,0,0|1,0,0]=3 102 B12R1.1703 NNC(=O)C1=C(O)C=C(N)C=C1 HY-W112346 [1,1,0,0,0,0|2,0,0]=4 103 B12R1.1703 O=C(CCl)C1=CC=C(Cl)C=C1Cl HY-33040 [1,1,0,0,0,0|2,0,0]=4 104 B12R1.313 CCOC(=O)C1=C(C)N=C(N)S1 HY-W002386 [0,1,0,0,1,0|2,0,0]=4 105 B14R1.19 CCCCOC(=O)C1=CC=C(N)C=C1 HY-B1430 [0,2,0,0,0,0|0,0,0]=2 106 B14R1.19 CCCCOC(=O)C1=CC=C(O)C=C1 HY-B1431 [0,2,0,0,0,0|1,0,0]=3 107 B14R1.19 CCCCOC(=O)C1=CC=C(O)C=C1 HY-B1431R [0,2,0,0,0,0|1,0,0]=3 108 B14R1.678 CC(C)COC(=O)C1=CC=C(N)C=C1 HY-B1665 [0,2,0,0,0,0|0,0,0]=2 109 B14R1.678 CC(C)COC(=O)C1=CC=C(O)C=C1 HY-W015026 [0,2,0,0,0,0|1,0,0]=3 110 B14R1.678 NC1=CC=C(C(=O)NCC(=O)O)C=C1 HY-B1306 [0,2,0,0,0,0|1,0,1]=4 111 B14R1.678 NC1=CC=C(C(=O)NCC(=O)O)C=C1 HY-B1306R [0,2,0,0,0,0|1,0,1]=4 112 B14R1.610 CCOC(=O)C1=CC=C([N+](=O)[O-])C=C1 HY-41464 [0,2,0,0,0,0|0,0,1]=3 113 B14R1.626 CCOC(=O)C1=CC=C(O)C(OC)=C1 HY-B1643 [0,2,0,0,0,0|1,0,0]=3 114 B14R1.6821 CCOC(=O)C1=CC(O)=C(O)C(O)=C1 HY-N0525 [0,2,0,0,0,0|1,0,0]=3 115 B14R1.18811 CCOC(=O)C1=C(C)C=C(O)C=C1O HY-W000427 [0,2,0,0,0,0|1,0,0]=3 116 B12R2.1081 O=C1CCCC2=C1C=CC=C2 HY-76194A [1,0,0,1,0,0|1,0,0]=3 117 B12R2.612 O=C1CCC2=C1C=CC(Br)=C2 HY-40190 [1,0,0,1,0,0|1,0,0]=3 118 B12R2.612 O=C1NCC2=C1C=CC(Br)=C2 HY-34097 [1,0,0,1,0,0|2,0,0]=4 119 B12R2.612 O=C1OCC2=CC(Br)=CC=C12 HY-W007667 [1,0,0,1,0,0|1,0,0]=3 120 B14R2.933 O=C(NC1CC1)C2=CC=C(I)C=C2 HY-W153459 [0,1,0,1,0,0|2,0,0]=4 121 B14R2.1801 COC1=CC2=C(C=C1)C(=O)CCC2 HY-34408 [0,1,0,1,0,0|2,0,0]=4 122 B10R1.11 CCOC(=O)C1=CNN=C1 HY-100040 [1,0,0,0,1,0|2,0,0]=4 123 B10R1.11 CCOC(=O)C1=COC=N1 HY-69111 [1,0,0,0,1,0|2,0,0]=4 124 B10R1.11 CCOC(=O)C1=NC=CN1 HY-20460 [1,0,0,0,1,0|2,0,0]=4 125 B12R1.32 CCOC(=O)CC1=CC=CN=C1 HY-W002001 [1,0,0,0,0,1|1,0,0]=3