0 B12R1.32 CCNC(=O)NC1=CC=CC=C1 SBB008390 [0,0,0,0,0,0|2,0,0]=2 1 B12R1.32 CCOC(=O)CC1=CC=CC=N1 SBB058275 [0,0,0,0,0,0|3,0,0]=3 2 B12R1.32 CCOC(=O)CC1=CC=NC=C1 SBB053836 [0,0,0,0,0,0|3,0,0]=3 3 B12R1.32 CCOC(=O)CC1=CN=CC=C1 SBB058276 [0,0,0,0,0,0|3,0,0]=3 4 B12R1.32 CCOC(=O)NC1=NC=CC=C1 SBB017258 [0,0,0,0,0,0|3,0,0]=3 5 B12R1.32 N#CCC(=O)NC1=CC=CC=C1 SBB072741 [0,0,0,0,0,0|2,0,1]=3 6 B12R1.32 N#CCC(=O)NC1=CC=CN=C1 SBB039165 [0,0,0,0,0,0|3,0,1]=4 7 B12R1.32 N#CCC(=O)NC1=NC=CC=C1 SBB042446 [0,0,0,0,0,0|3,0,1]=4 8 B12R1.32 O=C(CCCl)OC1=CC=CC=C1 SBB053602 [0,0,0,0,0,0|1,0,0]=1 9 B11R1.28 CCCCCC1=CC=CC=C1 SBB057141 [1,0,0,0,0,0|1,0,1]=3 10 B11R1.28 CCCCNC1=CC=CC=C1 SBB058812 [1,0,0,0,0,0|1,0,1]=3 11 B11R1.28 CCCCOC1=CC=CC=C1 SBB060061 [1,0,0,0,0,0|0,0,1]=2 12 B11R1.28 CCCNCC1=CC=CC=C1 SBB080024 [1,0,0,0,0,0|2,0,0]=3 13 B11R1.28 CCCOCC1=CC=CC=C1 SBB061197 [1,0,0,0,0,0|2,0,0]=3 14 B11R1.28 CCC\C=N\C1=CC=CC=C1 SBB055434 [1,0,0,0,0,0|1,0,0]=2 15 B11R1.28 CCO\C=N\C1=CC=CC=C1 SBB059636 [1,0,0,0,0,0|2,0,0]=3 16 B11R1.28 CNCCOC1=CC=CC=C1 SBB027283 [1,0,0,0,0,0|1,0,1]=3 17 B11R1.28 COCCSC1=CC=CC=C1 SBB116878 [1,0,0,0,0,0|1,1,1]=4 18 B11R1.28 ClCCCOC1=CC=CC=C1 SBB300461 [1,0,0,0,0,0|1,0,1]=3 19 B11R1.28 ClCCNCC1=CC=CC=C1 SBB052393 [1,0,0,0,0,0|3,0,0]=4 20 B11R1.28 NCCCOC1=CC=CC=C1 SBB043657 [1,0,0,0,0,0|1,0,1]=3 21 B11R1.28 NCCCSC1=CC=CC=C1 SBB071863 [1,0,0,0,0,0|1,1,1]=4 22 B11R1.28 NCCNCC1=CC=CC=C1 SBB028295 [1,0,0,0,0,0|3,0,0]=4 23 B11R1.28 NCCOCC1=CC=CC=C1 SBB050278 [1,0,0,0,0,0|3,0,0]=4 24 B11R1.28 NCCOCC1=CC=CC=C1 SBB055150 [1,0,0,0,0,0|3,0,0]=4 25 B11R1.28 NCCSCC1=CC=CC=C1 SBB003512 [1,0,0,0,0,0|3,0,0]=4 26 B11R1.28 OCCNCC1=CC=CC=C1 SBB004062 [1,0,0,0,0,0|3,0,0]=4 27 B11R1.28 OCCOCC1=CC=CC=C1 SBB063066 [1,0,0,0,0,0|3,0,0]=4 28 B11R1.28 OCCSCC1=CC=CC=C1 SBB058901 [1,0,0,0,0,0|3,0,0]=4 29 B11R1.40 C1=CC=C(NC(=S)NC)C=C1 SBB003887 [1,0,0,0,0,0|2,1,0]=4 30 B11R1.40 CC(CN)OC1=CC=CC=C1 SBB028307 [1,0,0,0,0,0|2,0,1]=4 31 B11R1.40 CCC(=O)CC1=CC=CC=C1 SBB060892 [1,0,0,0,0,0|1,0,0]=2 32 B11R1.40 CNC(=O)NC1=CC=CC=C1 SBB008334 [1,0,0,0,0,0|2,0,0]=3 33 B11R1.40 NCC(=O)NC1=CC=CC=C1 SBB004992 [1,0,0,0,0,0|2,0,0]=3 34 B11R1.40 NNC(=O)CC1=CC=CC=C1 SBB046750 [1,0,0,0,0,0|3,0,0]=4 35 B11R1.40 NNC(=O)NC1=CC=CC=C1 SBB028305 [1,0,0,0,0,0|3,0,0]=4 36 B11R1.40 O=C(CBr)NC1=CC=CC=C1 SBB051003 [1,0,0,0,0,0|2,0,0]=3 37 B11R1.40 O=C(CC1=CC=CC=C1)NO SBB086771 [1,0,0,0,0,0|3,0,0]=4 38 B11R1.40 O=C(CCl)NC1=CC=CC=C1 SBB030441 [1,0,0,0,0,0|2,0,0]=3 39 B11R1.40 O=C(CCl)NC1=NC=CC=C1 SBB000164 [1,0,0,0,0,0|3,0,0]=4 40 B11R1.40 O=C(CCl)OC1=CC=CC=C1 SBB060340 [1,0,0,0,0,0|1,0,0]=2 41 B11R1.40 O=C(CS)NC1=CC=CC=C1 SBB008339 [1,0,0,0,0,0|2,0,0]=3 42 B13R1.19 CC1=CC=C(NC(=O)CC#N)C=C1 SBB015799 [0,1,0,0,0,0|2,0,1]=4 43 B13R1.19 CC1=CC=C(NC(=O)CCCl)C=C1 SBB072086 [0,1,0,0,0,0|2,0,0]=3 44 B13R1.19 CCCC(=O)NC1=CC=C(N)C=C1 SBB080276 [0,1,0,0,0,0|1,0,0]=2 45 B13R1.19 CCNC(=S)NC1=CC=C(Br)C=C1 SBB000974 [0,1,0,0,0,0|2,1,0]=4 46 B13R1.19 CCNC(=S)NC1=CC=C(F)C=C1 SBB000373 [0,1,0,0,0,0|2,1,0]=4 47 B13R1.19 CCNC(=S)NC1=CC=C(I)C=C1 SBB006260 [0,1,0,0,0,0|2,1,0]=4 48 B13R1.19 CCOC(=O)NC1=CC=C(N)C=C1 SBB072360 [0,1,0,0,0,0|2,0,0]=3 49 B13R1.19 CCOC(C)OC1=CC=C(Br)C=C1 SBB009965 [0,1,0,0,0,0|2,0,1]=4 50 B13R1.19 COCC(C)OC1=CC=C(N)C=C1 SBB302440 [0,1,0,0,0,0|2,0,1]=4 51 B13R1.19 N#CCC(=O)NC1=CC=C(Br)C=C1 SBB015486 [0,1,0,0,0,0|2,0,1]=4 52 B13R1.19 N#CCC(=O)NC1=CC=C(Cl)C=C1 SBB003598 [0,1,0,0,0,0|2,0,1]=4 53 B13R1.19 N#CCC(=O)NC1=CC=C(F)C=C1 SBB015794 [0,1,0,0,0,0|2,0,1]=4 54 B13R1.19 NC1=CC=C(CC(=O)OCC)C=C1 SBB005813 [0,1,0,0,0,0|2,0,0]=3 55 B13R1.19 O=C(CCCl)NC1=CC=C(Br)C=C1 SBB102589 [0,1,0,0,0,0|2,0,0]=3 56 B13R1.19 O=C(CCCl)NC1=CC=C(Cl)C=C1 SBB108388 [0,1,0,0,0,0|2,0,0]=3 57 B13R1.19 O=C(CCCl)NC1=CC=C(F)C=C1 SBB038546 [0,1,0,0,0,0|2,0,0]=3 58 B13R1.20 CC1=CC=CC(NC(=O)CC#N)=C1 SBB015798 [0,1,0,0,0,0|2,0,1]=4 59 B13R1.20 CCCC(=O)NC1=CC=CC(N)=C1 SBB051056 [0,1,0,0,0,0|1,0,0]=2 60 B13R1.20 CCOC(=O)NC1=CC=CC(Cl)=C1 SBB057887 [0,1,0,0,0,0|2,0,0]=3 61 B13R1.20 CCOC(=O)NC1=CC=CC(N)=C1 SBB072610 [0,1,0,0,0,0|2,0,0]=3 62 B13R1.20 N#CCC(=O)NC1=CC(Cl)=CC=C1 SBB003599 [0,1,0,0,0,0|2,0,1]=4 63 B13R1.20 NCCC(=O)NC1=CC=CC(F)=C1 SBB018518 [0,1,0,0,0,0|2,0,0]=3 64 B13R1.44 CCCNC(=O)NC1=CC=CC=C1 SBB056566 [0,1,0,0,0,0|1,0,0]=2 65 B13R1.44 CCCOC(=O)CC1=CC=CC=C1 SBB061302 [0,1,0,0,0,0|1,0,0]=2 66 B13R1.47 C=C(C(=O)OCC)C1=CC=CC=C1 SBB053701 [0,1,0,0,0,0|2,0,0]=3 67 B13R1.47 CCOC(=O)C(=O)C1=CC=CC=C1 SBB053693 [0,1,0,0,0,0|2,0,0]=3 68 B13R1.47 CCOC(=O)C(C)C1=CC=CC=C1 SBB054100 [0,1,0,0,0,0|2,0,0]=3 69 B13R1.47 CCOC(=O)C(O)C1=CC=CC=C1 SBB065016 [0,1,0,0,0,0|2,0,0]=3 70 B13R1.348 CC(=O)C\C(C)=N/C1=CC=CC=C1 SBB089069 [0,1,0,0,0,0|2,0,1]=4 71 B13R1.348 CC(C)NC(=O)NC1=CC=CC=C1 SBB056571 [0,1,0,0,0,0|2,0,0]=3 72 B13R1.348 N(C(=O)CC(C)=O)C1=CC=CC=C1 SBB003774 [0,1,0,0,0,0|1,0,1]=3 73 B13R1.470 CC1=C(NC(=O)CC#N)C=CC=C1 SBB003802 [0,1,0,0,0,0|2,0,1]=4 74 B13R1.470 CCNC(=S)NC1=CC=CC=C1N SBB017483 [0,1,0,0,0,0|2,1,0]=4 75 B13R1.470 CCOC(=O)CC1=CC=CC=C1Br SBB053727 [0,1,0,0,0,0|2,0,0]=3 76 B13R1.470 COCC(C)OC1=C(N)C=CC=C1 SBB302438 [0,1,0,0,0,0|2,0,1]=4 77 B13R1.470 N#CCC(=O)NC1=CC=CC=C1Cl SBB015485 [0,1,0,0,0,0|2,0,1]=4 78 B13R1.470 N#CCC(=O)NC1=CC=CC=C1F SBB049426 [0,1,0,0,0,0|2,0,1]=4 79 B13R2.15 O=C1OCCN1C2=CC=CC=C2 SBB008146 [0,0,0,1,0,0|2,0,0]=3 80 B13R2.26 CCCC1=NC2=CC=CC=C2N1 SBB042551 [0,0,0,1,0,0|2,0,0]=3 81 B13R2.26 CCSC1=NC2=CC=CC=C2N1 SBB045190 [0,0,0,1,0,0|3,0,0]=4 82 B13R2.26 CNCC1=CC2=C(C=CC=C2)S1 SBB094868 [0,0,0,1,0,0|2,1,0]=4 83 B13R2.26 CNCC1=CC2=CC=CC=C2S1 SBB109117 [0,0,0,1,0,0|2,1,0]=4 84 B13R2.26 CNCC1=NC2=C(C=CC=C2)N1 SBB010432 [0,0,0,1,0,0|3,0,0]=4 85 B13R2.26 COCC1=NC2=CC=CC=C2N1 SBB044978 [0,0,0,1,0,0|3,0,0]=4 86 B13R2.26 NCCC1=NC2=CC=CC=C2N1 SBB002734 [0,0,0,1,0,0|3,0,0]=4 87 B13R2.26 NCCC1=NC2=CC=CC=C2N1 SBB015243 [0,0,0,1,0,0|3,0,0]=4 88 B13R2.26 OCCC1=NC2=CC=CC=C2N1 SBB044521 [0,0,0,1,0,0|3,0,0]=4 89 B13R2.64 C1=CC=C(CC2=NCCN2)C=C1 SBB000360 [0,0,0,1,0,0|3,0,0]=4 90 B13R2.64 C1=CC=C(NC2=NCCS2)C=C1 SBB079576 [0,0,0,1,0,0|2,1,0]=4 91 B13R2.64 N1CCN=C1CC2=CC=CC=C2 SBB003964 [0,0,0,1,0,0|3,0,0]=4 92 B13R2.135 CCN1C(N)=NC2=C1C=CC=C2 SBB006983 [0,0,0,1,0,0|3,0,0]=4 93 B13R2.135 CCN1C2=CC=CC=C2N=C1S SBB010629 [0,0,0,1,0,0|2,1,0]=4 94 B13R2.135 CC[N+]1=C(C)SC2=C1C=CC=C2 SBB058248 [0,0,0,1,0,0|2,1,0]=4 95 B13R2.135 CC[N+]1=C(C)SC2=C1C=CC=C2 SBB059412 [0,0,0,1,0,0|2,1,0]=4 96 B13R2.135 O=C1SC2=CC=CC=C2N1CO SBB056345 [0,0,0,1,0,0|2,1,0]=4 97 B13R2.135 O=CC1C(=O)NC2=CC=CC=C21 SBB005557 [0,0,0,1,0,0|2,0,1]=4 98 B13R2.163 O=C1CCCC2=C(C=CC=C2)N1 SBB087533 [0,0,0,1,0,0|1,0,0]=2 99 B13R2.163 O=C1CCNC2=C(C=CC=C2)N1 SBB045898 [0,0,0,1,0,0|2,0,0]=3 100 B13R2.328 CC1=CC(=O)OC2=C1C=CC=C2 SBB062701 [0,0,0,1,0,0|0,0,2]=3 101 B13R2.328 O=C1C=C(O)C2=C(C=CC=C2)O1 SBB038533 [0,0,0,1,0,0|1,0,2]=4 102 B13R2.328 O=C1NC(=O)C2=C(C=CC=C2)O1 SBB003929 [0,0,0,1,0,0|2,0,1]=4 103 B11R1.16 CC(CCN)C1=CC=CC=C1 SBB085501 [0,0,0,0,1,0|2,0,1]=4 104 B11R1.16 CCCC(=O)C1=CC=CC=C1 SBB058761 [0,0,0,0,1,0|0,0,0]=1 105 B11R1.16 CCC[C@@H](N)C1=CC=CC=C1 SBB070021 [0,0,0,0,1,0|1,0,1]=3 106 B11R1.16 CCNC(=O)C1=CC=CC=C1 SBB058216 [0,0,0,0,1,0|1,0,0]=2 107 B11R1.16 CCOC(=O)C1=CC=CC=C1 SBB058595 [0,0,0,0,1,0|1,0,0]=2 108 B11R1.16 CCOC(=O)C1=CC=CN=C1 SBB065600 [0,0,0,0,1,0|2,0,0]=3 109 B11R1.16 CCOC(=O)C1=CC=NC=C1 SBB065225 [0,0,0,0,1,0|2,0,0]=3 110 B11R1.16 CCOC(=O)C1=NC=CC=C1 SBB065219 [0,0,0,0,1,0|2,0,0]=3 111 B11R1.16 CN(CCN)C1=CC=CC=C1 SBB085429 [0,0,0,0,1,0|3,0,0]=4 112 B11R1.16 CN(CCO)C1=CC=CC=C1 SBB007818 [0,0,0,0,1,0|3,0,0]=4 113 B11R1.16 CNCC(C)C1=CC=CC=C1 SBB028094 [0,0,0,0,1,0|2,0,1]=4 114 B11R1.16 N#CCC(=O)C1=CC=CC=C1 SBB004121 [0,0,0,0,1,0|1,0,1]=3 115 B11R1.16 N#CCC(=O)C1=CC=NC=C1 SBB055710 [0,0,0,0,1,0|2,0,1]=4 116 B11R1.16 O=C(CCCl)C1=CC=CC=C1 SBB063710 [0,0,0,0,1,0|1,0,0]=2 117 B11R1.16 O=C(CCF)C1=CC=CC=C1 SBB063711 [0,0,0,0,1,0|1,0,0]=2 118 B11R1.16 O=C(N=C=S)C1=CC=CC=C1 SBB068862 [0,0,0,0,1,0|2,0,1]=4 119 B11R1.16 O=C(SCO)C1=CC=CC=C1 SBB088192 [0,0,0,0,1,0|2,0,0]=3 120 B11R1.16 O=C(\C=N\O)C1=CC=CC=C1 SBB063283 [0,0,0,0,1,0|2,0,1]=4 121 B11R1.16 O=C=NC(=O)C1=CC=CC=C1 SBB067603 [0,0,0,0,1,0|2,0,1]=4 122 B13R1.42 CCCC(O)C#CC1=CC=CC=C1 SBB008960 [0,0,0,0,0,1|1,0,2]=4 123 B13R1.42 CCNC(=O)CCC1=CC=CC=C1 SBB080052 [0,0,0,0,0,1|2,0,0]=3 124 B13R1.42 CCOC(=O)C#CC1=CC=CC=C1 SBB008827 [0,0,0,0,0,1|2,0,0]=3 125 B13R1.42 CCOC(=O)CSC1=CC=CC=C1 SBB053696 [0,0,0,0,0,1|1,1,0]=3 126 B13R1.42 CCOC(=O)\C=C\C1=CC=CC=C1 SBB060754 [0,0,0,0,0,1|2,0,0]=3 127 B13R1.42 CNCC(O)COC1=CC=CC=C1 SBB045229 [0,0,0,0,0,1|1,0,2]=4 128 B13R1.42 N#CCC(=O)NCC1=CC=CC=C1 SBB023426 [0,0,0,0,0,1|2,0,1]=4 129 B13R1.42 N#CCC(=O)NNC1=CC=CC=C1 SBB071579 [0,0,0,0,0,1|2,0,1]=4 130 B10R1.17 BrCCOC1=CC=CC=C1 SBB042586 [2,0,0,0,0,0|1,0,0]=3 131 B10R1.17 BrCCSC1=CC=CC=C1 SBB059699 [2,0,0,0,0,0|1,1,0]=4 132 B10R1.17 C#CCOC1=CC=CC=C1 SBB008983 [2,0,0,0,0,0|0,0,2]=4 133 B10R1.17 CCCNC1=CC=CC=C1 SBB059800 [2,0,0,0,0,0|1,0,0]=3 134 B10R1.17 CCCOC1=CC=CC=C1 SBB061098 [2,0,0,0,0,0|0,0,0]=2 135 B10R1.17 CCNCC1=CC=CC=C1 SBB058765 [2,0,0,0,0,0|1,0,1]=4 136 B10R1.17 CCOCC1=CC=CC=C1 SBB061196 [2,0,0,0,0,0|1,0,1]=4 137 B10R1.17 CCSCC1=CC=CC=C1 SBB061362 [2,0,0,0,0,0|1,0,1]=4 138 B10R1.17 ClCCCC1=CC=CC=C1 SBB061361 [2,0,0,0,0,0|1,0,1]=4 139 B10R1.17 ClC\C=C\C1=CC=CC=C1 SBB040602 [2,0,0,0,0,0|1,0,1]=4 140 B10R1.17 N#CCOC1=CC=CC=C1 SBB016774 [2,0,0,0,0,0|1,0,1]=4 141 B10R1.17 NCCCC1=CC=CC=C1 SBB028248 [2,0,0,0,0,0|1,0,1]=4 142 B10R1.17 NCCNC1=CC=CC=C1 SBB004200 [2,0,0,0,0,0|2,0,0]=4 143 B10R1.17 NCCOC1=CC=CC=C1 SBB085982 [2,0,0,0,0,0|1,0,0]=3 144 B10R1.17 NCCSC1=CC=CC=C1 SBB047720 [2,0,0,0,0,0|1,1,0]=4 145 B10R1.17 OCCCC1=CC=CC=C1 SBB061127 [2,0,0,0,0,0|1,0,1]=4 146 B10R1.17 OCCOC1=CC=CC=C1 SBB060485 [2,0,0,0,0,0|1,0,0]=3 147 B10R1.17 OC\C=C\C1=CC=CC=C1 SBB058645 [2,0,0,0,0,0|1,0,1]=4 148 B10R1.18 CC(=O)CC1=CC=NC=C1 SBB055597 [2,0,0,0,0,0|2,0,0]=4 149 B10R1.18 CC(=O)NC1=CC=CC=C1 SBB040833 [2,0,0,0,0,0|1,0,0]=3 150 B10R1.18 CC(=O)NC1=CC=CC=N1 SBB085932 [2,0,0,0,0,0|2,0,0]=4 151 B10R1.18 CC(=O)NC1=CC=NC=C1 SBB085931 [2,0,0,0,0,0|2,0,0]=4 152 B10R1.18 CC(=O)OC1=CC=CC=C1 SBB058747 [2,0,0,0,0,0|0,0,0]=2 153 B10R1.18 CC(=S)NC1=CC=CC=C1 SBB086797 [2,0,0,0,0,0|1,1,0]=4 154 B10R1.18 NC(=O)CC1=CC=CC=C1 SBB017634 [2,0,0,0,0,0|2,0,0]=4 155 B10R1.18 NC(=O)NC1=CC=CC=C1 SBB058197 [2,0,0,0,0,0|2,0,0]=4 156 B10R1.18 O=C(Cl)CC1=CC=CC=C1 SBB040622 [2,0,0,0,0,0|2,0,0]=4 157 B10R1.18 O=C(Cl)OC1=CC=CC=C1 SBB060851 [2,0,0,0,0,0|1,0,0]=3 158 B10R1.18 [NH2+](C(=O)Cl)C1=CC=CC=C1 SBB060746 [2,0,0,0,0,0|2,0,0]=4 159 B12R1.1 CC1=CC=C(OCCCN)C=C1 SBB085497 [1,1,0,0,0,0|1,0,1]=4 160 B12R1.1 CCCCCC1=CC=C(N)C=C1 SBB008338 [1,1,0,0,0,0|1,0,1]=4 161 B12R1.1 CCCCCC1=CC=C(O)C=C1 SBB059154 [1,1,0,0,0,0|1,0,1]=4 162 B12R1.1 CCCCOC1=CC=C(Br)C=C1 SBB008359 [1,1,0,0,0,0|0,0,1]=3 163 B12R1.1 CCCCOC1=CC=C(C)C=C1 SBB008351 [1,1,0,0,0,0|0,0,1]=3 164 B12R1.1 CCCCOC1=CC=C(Cl)C=C1 SBB061312 [1,1,0,0,0,0|0,0,1]=3 165 B12R1.1 CCCCOC1=CC=C(N)C=C1 SBB008295 [1,1,0,0,0,0|0,0,1]=3 166 B12R1.1 CCCCOC1=CC=C(O)C=C1 SBB058865 [1,1,0,0,0,0|0,0,1]=3 167 B12R1.1 CCCCSC1=CC=C(N)C=C1 SBB072787 [1,1,0,0,0,0|0,1,1]=4 168 B12R1.1 CNCCOC1=CC=C(C)C=C1 SBB010460 [1,1,0,0,0,0|1,0,1]=4 169 B12R1.1 CNCCOC1=CC=C(F)C=C1 SBB085381 [1,1,0,0,0,0|1,0,1]=4 170 B12R1.1 ClC1=CC=C(OCCCBr)C=C1 SBB018282 [1,1,0,0,0,0|1,0,1]=4 171 B12R1.1 FC1=CC=C(OCCCCl)C=C1 SBB003674 [1,1,0,0,0,0|1,0,1]=4 172 B12R1.1 NCCCOC1=CC=C(Cl)C=C1 SBB010729 [1,1,0,0,0,0|1,0,1]=4 173 B12R1.8 BrCCCOCC1=CC=CC=C1 SBB055279 [1,1,0,0,0,0|1,0,1]=4 174 B12R1.8 CCCCCOC1=CC=CC=C1 SBB060062 [1,1,0,0,0,0|0,0,1]=3 175 B12R1.8 CCCCOCC1=CC=CC=C1 SBB061154 [1,1,0,0,0,0|0,0,1]=3 176 B12R1.8 N(CCCC)CC1=CC=CC=C1 SBB006552 [1,1,0,0,0,0|1,0,1]=4 177 B12R1.8 NCCCNCC1=CC=CC=C1 SBB015090 [1,1,0,0,0,0|2,0,0]=4 178 B12R1.8 NCCCOCC1=CC=CC=C1 SBB072321 [1,1,0,0,0,0|1,0,1]=4 179 B12R1.8 OCCCNCC1=CC=CC=C1 SBB055297 [1,1,0,0,0,0|2,0,0]=4 180 B12R1.27 CCC(O)C#CC1=CC=CC=C1 SBB008984 [1,1,0,0,0,0|1,0,1]=4 181 B12R1.27 OC(CCl)COC1=CC=CC=C1 SBB061224 [1,1,0,0,0,0|1,0,1]=4 182 B12R1.27 OC(COC1=CC=CC=C1)CN SBB010049 [1,1,0,0,0,0|1,0,1]=4 183 B12R1.27 OC[C@H](O)COC1=CC=CC=C1 SBB088177 [1,1,0,0,0,0|1,0,1]=4 184 B12R1.28 CC1=CC(OCCCN)=CC=C1 SBB085451 [1,1,0,0,0,0|1,0,1]=4 185 B12R1.30 CCCCC(=O)C1=CC=CC=C1 SBB064862 [1,1,0,0,0,0|1,0,1]=4 186 B12R1.30 CCCCC(O)C1=CC=CC=C1 SBB063387 [1,1,0,0,0,0|1,0,1]=4 187 B12R1.30 CCCNC(=O)C1=CC=CC=C1 SBB058554 [1,1,0,0,0,0|2,0,0]=4 188 B12R1.30 CCCNC(C)C1=CC=CC=C1 SBB005747 [1,1,0,0,0,0|2,0,0]=4 189 B12R1.30 CCCOC(=O)C1=CC=CC=C1 SBB061241 [1,1,0,0,0,0|2,0,0]=4 190 B12R1.252 CC(N)CCCC1=CC=CC=C1 SBB010444 [1,1,0,0,0,0|1,0,1]=4 191 B12R1.267 CCCCOC1=C(N)C=CC=C1 SBB001578 [1,1,0,0,0,0|0,0,1]=3 192 B12R1.267 CNCCOC1=C(C)C=CC=C1 SBB080543 [1,1,0,0,0,0|1,0,1]=4 193 B12R1.267 CNCCOC1=C(F)C=CC=C1 SBB085380 [1,1,0,0,0,0|1,0,1]=4 194 B12R1.267 COCCOC1=C(N)C=CC=C1 SBB085487 [1,1,0,0,0,0|1,0,1]=4 195 B12R1.267 FC1=C(OCCCBr)C=CC=C1 SBB302486 [1,1,0,0,0,0|1,0,1]=4 196 B12R1.267 NCCCOC1=C(F)C=CC=C1 SBB085447 [1,1,0,0,0,0|1,0,1]=4 197 B12R1.34 CCC(=O)N(C)C1=CC=CC=C1 SBB087708 [1,1,0,0,0,0|1,0,0]=3 198 B12R1.34 CN(C(=O)CBr)C1=CC=CC=C1 SBB080042 [1,1,0,0,0,0|2,0,0]=4 199 B12R1.34 CN(C(=O)CCl)C1=CC=CC=C1 SBB010703 [1,1,0,0,0,0|2,0,0]=4 200 B12R1.34 COC(=O)C(Br)C1=CC=CC=C1 SBB053707 [1,1,0,0,0,0|2,0,0]=4 201 B12R1.34 COC(=O)C(Cl)C1=CC=CC=C1 SBB007734 [1,1,0,0,0,0|2,0,0]=4 202 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 SBB017485 [1,1,0,0,0,0|2,0,0]=4 203 B12R1.34 COC(=O)C(O)C1=CC=CC=C1 SBB051444 [1,1,0,0,0,0|2,0,0]=4 204 B12R1.34 [C@@H](N)(C(=O)OC)C1=CC=CC=C1 SBB057682 [1,1,0,0,0,0|2,0,0]=4 205 B12R1.43 CN(C)C(=O)NC1=CC=CC=C1 SBB058215 [1,1,0,0,0,0|2,0,0]=4 206 B12R1.49 CC1=CC=C(NC(=O)CBr)C=C1 SBB050418 [1,1,0,0,0,0|2,0,0]=4 207 B12R1.49 CC1=CC=C(NC(=O)CCl)C=C1 SBB004507 [1,1,0,0,0,0|2,0,0]=4 208 B12R1.49 CC1=CC=C(NC(=O)CN)C=C1 SBB004993 [1,1,0,0,0,0|2,0,0]=4 209 B12R1.49 CC1=CC=C(NC(=O)CS)C=C1 SBB083090 [1,1,0,0,0,0|2,0,0]=4 210 B12R1.49 CC1=CC=C(OC(=O)CCl)C=C1 SBB060341 [1,1,0,0,0,0|1,0,0]=3 211 B12R1.49 CCC(=O)NC1=CC=C(N)C=C1 SBB080274 [1,1,0,0,0,0|1,0,0]=3 212 B12R1.49 CCC(=O)NC1=CC=C(O)C=C1 SBB080008 [1,1,0,0,0,0|1,0,0]=3 213 B12R1.49 CNC(=O)CC1=CC=C(N)C=C1 SBB080431 [1,1,0,0,0,0|2,0,0]=4 214 B12R1.49 COC(=O)CC1=CC=C(F)C=C1 SBB017032 [1,1,0,0,0,0|2,0,0]=4 215 B12R1.49 COC(=O)CC1=CC=C(N)C=C1 SBB059052 [1,1,0,0,0,0|2,0,0]=4 216 B12R1.49 O=C(CBr)NC1=CC=C(F)C=C1 SBB051004 [1,1,0,0,0,0|2,0,0]=4 217 B12R1.49 O=C(CCl)NC1=CC=C(Br)C=C1 SBB000881 [1,1,0,0,0,0|2,0,0]=4 218 B12R1.49 O=C(CCl)NC1=CC=C(Cl)C=C1 SBB004510 [1,1,0,0,0,0|2,0,0]=4 219 B12R1.49 O=C(CCl)NC1=CC=C(F)C=C1 SBB002113 [1,1,0,0,0,0|2,0,0]=4 220 B12R1.49 O=C(CCl)NC1=CC=C(I)C=C1 SBB023446 [1,1,0,0,0,0|2,0,0]=4 221 B12R1.49 O=C(CCl)OC1=CC=C(Cl)C=C1 SBB056714 [1,1,0,0,0,0|1,0,0]=3 222 B12R1.50 CC1=CC(NC(=O)CCl)=CC=C1 SBB004509 [1,1,0,0,0,0|2,0,0]=4 223 B12R1.50 CC1=CC(OC(=O)CCl)=CC=C1 SBB060342 [1,1,0,0,0,0|1,0,0]=3 224 B12R1.50 CC1=CC=CC(NC(=O)CBr)=C1 SBB050419 [1,1,0,0,0,0|2,0,0]=4 225 B12R1.50 CCC(=O)NC1=CC(N)=CC=C1 SBB027266 [1,1,0,0,0,0|1,0,0]=3 226 B12R1.50 CCC(=O)NC1=CC(O)=CC=C1 SBB080003 [1,1,0,0,0,0|1,0,0]=3 227 B12R1.50 O=C(CBr)NC1=CC(Cl)=CC=C1 SBB050436 [1,1,0,0,0,0|2,0,0]=4 228 B12R1.50 O=C(CCl)NC1=CC(Cl)=CC=C1 SBB037894 [1,1,0,0,0,0|2,0,0]=4 229 B12R1.50 O=C(CCl)NC1=CC(I)=CC=C1 SBB303363 [1,1,0,0,0,0|2,0,0]=4 230 B12R1.50 O=C(CCl)NC1=CC=CC(Br)=C1 SBB016594 [1,1,0,0,0,0|2,0,0]=4 231 B12R1.50 O=C(CCl)NC1=CC=CC(F)=C1 SBB040612 [1,1,0,0,0,0|2,0,0]=4 232 B12R1.50 O=C(CCl)NC1=CC=CC(O)=C1 SBB072813 [1,1,0,0,0,0|2,0,0]=4 233 B12R1.371 CC1=C(NC(=O)CCl)C=CC=C1 SBB004515 [1,1,0,0,0,0|2,0,0]=4 234 B12R1.371 CC1=CC=CC=C1OC(=O)CCl SBB060343 [1,1,0,0,0,0|1,0,0]=3 235 B12R1.371 CCC(=O)NC1=CC=CC=C1O SBB080002 [1,1,0,0,0,0|1,0,0]=3 236 B12R1.371 O=C(CBr)NC1=CC=CC=C1F SBB080067 [1,1,0,0,0,0|2,0,0]=4 237 B12R1.371 O=C(CCl)NC1=C(F)C=CC=C1 SBB017998 [1,1,0,0,0,0|2,0,0]=4 238 B12R1.371 O=C(CCl)NC1=CC=CC=C1Br SBB046877 [1,1,0,0,0,0|2,0,0]=4 239 B12R1.371 O=C(CCl)NC1=CC=CC=C1Cl SBB000431 [1,1,0,0,0,0|2,0,0]=4 240 B12R1.371 O=C(CCl)NC1=CC=CC=C1O SBB072362 [1,1,0,0,0,0|2,0,0]=4 241 B12R1.371 O=C(CS)NC1=CC=CC=C1Cl SBB000405 [1,1,0,0,0,0|2,0,0]=4 242 B12R1.3 CCCC(C#N)C1=CC=CC=C1 SBB007788 [0,1,0,0,1,0|1,0,1]=4 243 B12R1.3 CCCC(CC)C1=CC=CC=C1 SBB061240 [0,1,0,0,1,0|1,0,1]=4 244 B12R1.3 CCCC(CN)C1=CC=CC=C1 SBB073169 [0,1,0,0,1,0|1,0,1]=4 245 B12R1.16 CC1=CC=C(C(=O)CC#N)C=C1 SBB005351 [0,1,0,0,1,0|1,0,1]=4 246 B12R1.16 CC1=CC=C(C(=O)CCCl)C=C1 SBB063951 [0,1,0,0,1,0|1,0,0]=3 247 B12R1.16 CCCC(=O)C1=CC=C(Br)C=C1 SBB065069 [0,1,0,0,1,0|0,0,0]=2 248 B12R1.16 CCCC(=O)C1=CC=C(C)C=C1 SBB017369 [0,1,0,0,1,0|0,0,0]=2 249 B12R1.16 CCCC(=O)C1=CC=C(F)C=C1 SBB088007 [0,1,0,0,1,0|0,0,0]=2 250 B12R1.16 CCCC(=O)C1=CC=C(N)C=C1 SBB017672 [0,1,0,0,1,0|0,0,0]=2 251 B12R1.16 CCCC(=O)C1=CC=C(O)C=C1 SBB001584 [0,1,0,0,1,0|0,0,0]=2 252 B12R1.16 CCNC(=O)C1=CC=C(N)C=C1 SBB017849 [0,1,0,0,1,0|1,0,0]=3 253 B12R1.16 CCOC(=N)C1=CC=C(O)C=C1 SBB057804 [0,1,0,0,1,0|2,0,0]=4 254 B12R1.16 CCOC(=O)C1=CC=C(Br)C=C1 SBB065108 [0,1,0,0,1,0|1,0,0]=3 255 B12R1.16 CCOC(=O)C1=CC=C(C)C=C1 SBB064875 [0,1,0,0,1,0|1,0,0]=3 256 B12R1.16 CCOC(=O)C1=CC=C(Cl)C=C1 SBB040855 [0,1,0,0,1,0|1,0,0]=3 257 B12R1.16 CCOC(=O)C1=CC=C(Cl)N=C1 SBB053795 [0,1,0,0,1,0|2,0,0]=4 258 B12R1.16 CCOC(=O)C1=CC=C(F)C=C1 SBB063137 [0,1,0,0,1,0|1,0,0]=3 259 B12R1.16 CCOC(=O)C1=CC=C(I)C=C1 SBB058455 [0,1,0,0,1,0|1,0,0]=3 260 B12R1.16 CCOC(=O)C1=CC=C(N)C=C1 SBB028356 [0,1,0,0,1,0|1,0,0]=3 261 B12R1.16 CCOC(=O)C1=CC=C(O)C=C1 SBB038536 [0,1,0,0,1,0|1,0,0]=3 262 B12R1.16 CNCC(=O)C1=CC=C(O)C=C1 SBB013970 [0,1,0,0,1,0|1,0,0]=3 263 B12R1.16 N#CCC(=O)C1=CC=C(Br)C=C1 SBB059061 [0,1,0,0,1,0|1,0,1]=4 264 B12R1.16 N#CCC(=O)C1=CC=C(Cl)C=C1 SBB049524 [0,1,0,0,1,0|1,0,1]=4 265 B12R1.16 N#CCC(=O)C1=CC=C(F)C=C1 SBB022265 [0,1,0,0,1,0|1,0,1]=4 266 B12R1.16 N#CCC(=O)C1=CC=C(I)C=C1 SBB019130 [0,1,0,0,1,0|1,0,1]=4 267 B12R1.16 O=C(CCCl)C1=CC=C(Cl)C=C1 SBB063212 [0,1,0,0,1,0|1,0,0]=3 268 B12R1.16 O=C(CCCl)C1=CC=C(F)C=C1 SBB042481 [0,1,0,0,1,0|1,0,0]=3 269 B12R1.17 CC1=CC=CC(C(=O)CC#N)=C1 SBB087366 [0,1,0,0,1,0|1,0,1]=4 270 B12R1.17 CCNC(=O)C1=CC(N)=CC=C1 SBB080262 [0,1,0,0,1,0|1,0,0]=3 271 B12R1.17 CCOC(=O)C1=CC(Br)=CN=C1 SBB005820 [0,1,0,0,1,0|2,0,0]=4 272 B12R1.17 CCOC(=O)C1=CC(Cl)=NC=C1 SBB019078 [0,1,0,0,1,0|2,0,0]=4 273 B12R1.17 CCOC(=O)C1=CC(F)=CN=C1 SBB053804 [0,1,0,0,1,0|2,0,0]=4 274 B12R1.17 CCOC(=O)C1=CC(N)=CN=C1 SBB088001 [0,1,0,0,1,0|2,0,0]=4 275 B12R1.17 CCOC(=O)C1=CC(N)=NC=C1 SBB053850 [0,1,0,0,1,0|2,0,0]=4 276 B12R1.17 CCOC(=O)C1=CC=CC(C)=C1 SBB064988 [0,1,0,0,1,0|1,0,0]=3 277 B12R1.17 CCOC(=O)C1=CC=CC(Cl)=C1 SBB064614 [0,1,0,0,1,0|1,0,0]=3 278 B12R1.17 CCOC(=O)C1=CC=CC(F)=C1 SBB064679 [0,1,0,0,1,0|1,0,0]=3 279 B12R1.17 CCOC(=O)C1=CC=CC(N)=C1 SBB064162 [0,1,0,0,1,0|1,0,0]=3 280 B12R1.17 CCOC(=O)C1=CC=CC(O)=C1 SBB038646 [0,1,0,0,1,0|1,0,0]=3 281 B12R1.17 CCOC(=O)C1=CN=CC(O)=C1 SBB088061 [0,1,0,0,1,0|2,0,0]=4 282 B12R1.17 CCOC(=O)C1=NC(Br)=CC=C1 SBB065220 [0,1,0,0,1,0|2,0,0]=4 283 B12R1.17 CCOC(=O)C1=NC(O)=CC=C1 SBB014301 [0,1,0,0,1,0|2,0,0]=4 284 B12R1.17 N#CCC(=O)C1=CC(Cl)=CC=C1 SBB089582 [0,1,0,0,1,0|1,0,1]=4 285 B12R1.17 N#CCC(=O)C1=CC=CC(Br)=C1 SBB019256 [0,1,0,0,1,0|1,0,1]=4 286 B12R1.39 CSCS(=O)(=O)C1=CC=CC=C1 SBB057692 [0,1,0,0,1,0|2,0,0]=4 287 B12R1.39 NCCS(=O)(=O)C1=CC=CC=C1 SBB043962 [0,1,0,0,1,0|2,0,0]=4 288 B12R1.39 O=S(=O)(CCCl)C1=CC=CC=C1 SBB001719 [0,1,0,0,1,0|2,0,0]=4 289 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 SBB040798 [0,1,0,0,1,0|0,0,1]=3 290 B12R1.107 CC(C)NC(=O)C1=CC=CC=C1 SBB058207 [0,1,0,0,1,0|1,0,0]=3 291 B12R1.107 C[S+](C)CC(=O)C1=CC=CC=C1 SBB063237 [0,1,0,0,1,0|1,0,0]=3 292 B12R1.107 NC(=O)CC(=O)C1=CC=CC=C1 SBB035909 [0,1,0,0,1,0|1,0,1]=4 293 B12R1.107 O=C(C[N+](=O)[O-])C1=CC=CC=C1 SBB032958 [0,1,0,0,1,0|2,0,0]=4 294 B12R1.308 CCNC(=O)C1=CC=CC=C1N SBB079897 [0,1,0,0,1,0|1,0,0]=3 295 B12R1.308 CCNC(=O)C1=CC=CN=C1Cl SBB047046 [0,1,0,0,1,0|2,0,0]=4 296 B12R1.308 CCOC(=O)C1=C(Cl)C=CC=C1 SBB064139 [0,1,0,0,1,0|1,0,0]=3 297 B12R1.308 CCOC(=O)C1=C(Cl)N=CC=C1 SBB065272 [0,1,0,0,1,0|2,0,0]=4 298 B12R1.308 CCOC(=O)C1=CC=CC=C1Br SBB065109 [0,1,0,0,1,0|1,0,0]=3 299 B12R1.308 CCOC(=O)C1=CC=CC=C1C SBB064989 [0,1,0,0,1,0|1,0,0]=3 300 B12R1.308 CCOC(=O)C1=CC=CC=C1F SBB064678 [0,1,0,0,1,0|1,0,0]=3 301 B12R1.308 CCOC(=O)C1=CC=CC=C1N SBB064986 [0,1,0,0,1,0|1,0,0]=3 302 B12R1.308 CCOC(=O)C1=CC=CC=C1O SBB058594 [0,1,0,0,1,0|1,0,0]=3 303 B12R1.308 CCOC(=O)C1=CC=CN=C1C SBB053824 [0,1,0,0,1,0|2,0,0]=4 304 B12R1.308 CCOC(=O)C1=CC=NC=C1N SBB053810 [0,1,0,0,1,0|2,0,0]=4 305 B12R1.308 CCOC(=O)C1=CN=CC=C1Cl SBB053818 [0,1,0,0,1,0|2,0,0]=4 306 B12R1.308 N#CCC(=O)C1=CC=CC=C1Br SBB019279 [0,1,0,0,1,0|1,0,1]=4 307 B12R1.308 N#CCC(=O)C1=CC=CC=C1Cl SBB019129 [0,1,0,0,1,0|1,0,1]=4 308 B14R1.29 CCOC(=O)CC(=O)C1=CC=CC=C1 SBB040799 [0,1,0,0,0,1|2,0,0]=4 309 B14R1.29 CCOC(=O)CC(O)C1=CC=CC=C1 SBB068851 [0,1,0,0,0,1|2,0,0]=4 310 B14R1.29 CCOC(=O)\C=C(/C)C1=CC=CC=C1 SBB053785 [0,1,0,0,0,1|2,0,0]=4 311 B14R1.32 CCNC(=O)\C=C\C1=CC(Br)=CC=C1 SBB057810 [0,1,0,0,0,1|2,0,0]=4 312 B14R1.32 CCOC(=O)CNC1=CC(C)=CC=C1 SBB047119 [0,1,0,0,0,1|2,0,0]=4 313 B14R1.32 CCOC(=O)COC1=CC(Cl)=CC=C1 SBB073628 [0,1,0,0,0,1|1,0,0]=3 314 B14R1.32 O=C(CCCl)NCC1=CC=CC(Cl)=C1 SBB047027 [0,1,0,0,0,1|2,0,0]=4 315 B14R1.60 CCOC(=O)C(=O)NC1=CC=CC=C1 SBB004645 [0,1,0,0,0,1|2,0,0]=4 316 B14R1.156 NCCNC(=O)OCC1=CC=CC=C1 SBB003280 [0,1,0,0,0,1|1,0,0]=3 317 B14R1.156 O=C(NCCO)OCC1=CC=CC=C1 SBB057706 [0,1,0,0,0,1|1,0,0]=3 318 B14R1.502 CCOC(=O)CCC1=CC=C(Br)C=C1 SBB072991 [0,1,0,0,0,1|2,0,0]=4 319 B14R1.502 CCOC(=O)CCC1=CC=C(O)C=C1 SBB091746 [0,1,0,0,0,1|2,0,0]=4 320 B14R1.502 CCOC(=O)COC1=CC=C(I)C=C1 SBB073630 [0,1,0,0,0,1|1,0,0]=3 321 B14R1.598 CCOC(=O)COC1=CC=CC=C1Cl SBB029883 [0,1,0,0,0,1|1,0,0]=3 322 B14R1.598 O=C(CCCl)NCC1=C(F)C=CC=C1 SBB047044 [0,1,0,0,0,1|2,0,0]=4 323 B14R1.756 N[C@@H](CO)C(=O)OCC1=CC=CC=C1 SBB064266 [0,1,0,0,0,1|1,0,0]=3 324 B14R1.818 CC(=O)CC(=O)NCC1=CC=CC=C1 SBB001639 [0,1,0,0,0,1|1,0,1]=4 325 B14R1.818 CC(=O)CC(=O)OCC1=CC=CC=C1 SBB058876 [0,1,0,0,0,1|0,0,1]=3 326 B14R1.818 CC(C)NC(=O)CCC1=CC=CC=C1 SBB080047 [0,1,0,0,0,1|2,0,0]=4 327 B14R1.33 O=C(NCCBr)NC1=CC=C(F)C=C1 SBB102381 [0,2,0,0,0,0|2,0,0]=4 328 B14R1.33 O=C(NCCCl)NC1=CC=C(F)C=C1 SBB055144 [0,2,0,0,0,0|2,0,0]=4 329 B14R1.698 CC(=O)CC(=O)NC1=CC=C(Br)C=C1 SBB023572 [0,2,0,0,0,0|1,0,1]=4 330 B14R1.698 CC(=O)CC(=O)NC1=CC=C(C)C=C1 SBB077978 [0,2,0,0,0,0|1,0,1]=4 331 B14R1.698 CC(=O)CC(=O)NC1=CC=C(F)C=C1 SBB023573 [0,2,0,0,0,0|1,0,1]=4 332 B14R1.698 CC(C)CC(=O)NC1=CC=C(N)C=C1 SBB080088 [0,2,0,0,0,0|1,0,0]=3 333 B14R1.698 N(C(=O)CC(C)=O)C1=CC=C(Cl)C=C1 SBB003431 [0,2,0,0,0,0|1,0,1]=4 334 B14R1.954 C(=O)C1=CC=C(OC(=O)CCC)C=C1 SBB008233 [0,2,0,0,0,0|0,0,0]=2 335 B14R1.954 CCOC(=O)CC1=CC=C(NN)C=C1 SBB053734 [0,2,0,0,0,0|2,0,0]=4 336 B14R1.954 COC1=CC=C(NC(=O)CCCl)C=C1 SBB040631 [0,2,0,0,0,0|2,0,0]=4 337 B14R1.954 COC1=CC=C(NC(=O)CCN)C=C1 SBB018517 [0,2,0,0,0,0|2,0,0]=4 338 B14R1.967 CC1=C(Cl)C=C(NC(=O)CCCl)C=C1 SBB108402 [0,2,0,0,0,0|2,0,0]=4 339 B14R1.967 CC1=CC=C(NC(=O)CCCl)C=C1F SBB047061 [0,2,0,0,0,0|2,0,0]=4 340 B14R1.967 CCCC(=O)NC1=CC(N)=C(Cl)C=C1 SBB080083 [0,2,0,0,0,0|1,0,0]=3 341 B14R1.967 CCOC(=O)CC1=CC(Cl)=C(Cl)C=C1 SBB053710 [0,2,0,0,0,0|2,0,0]=4 342 B14R1.967 CCOC(=O)NC1=CC=C(C)C(Cl)=C1 SBB008113 [0,2,0,0,0,0|2,0,0]=4 343 B14R1.967 CCSC(=O)NC1=CC=C(C)C(Cl)=C1 SBB008112 [0,2,0,0,0,0|2,0,0]=4 344 B14R1.6823 CC1=C(NC(=O)CCCl)C=CC(F)=C1 SBB047026 [0,2,0,0,0,0|2,0,0]=4 345 B14R1.6823 O=C(CCCl)NC1=C(Cl)C=C(Cl)C=C1 SBB108389 [0,2,0,0,0,0|2,0,0]=4 346 B14R1.6823 O=C(CCCl)NC1=C(F)C=C(Cl)C=C1 SBB047024 [0,2,0,0,0,0|2,0,0]=4 347 B14R1.135 CCC(Br)C(=O)NC1=CC(Cl)=CC=C1 SBB048596 [0,2,0,0,0,0|1,0,0]=3 348 B14R1.950 CC1=CC(NC(=O)CCCl)=C(F)C=C1 SBB047053 [0,2,0,0,0,0|2,0,0]=4 349 B14R1.950 CC1=CC=C(F)C=C1NC(=O)CCCl SBB047062 [0,2,0,0,0,0|2,0,0]=4 350 B14R1.950 O=C(CCCl)NC1=C(F)C=CC(F)=C1 SBB047050 [0,2,0,0,0,0|2,0,0]=4 351 B14R1.962 CCC1=CC(NC(=O)CCCl)=CC=C1 SBB047058 [0,2,0,0,0,0|2,0,0]=4 352 B14R1.962 COC1=CC(NC(=O)CCCl)=CC=C1 SBB040636 [0,2,0,0,0,0|2,0,0]=4 353 B14R1.5978 CC(=O)CC(=O)NC1=CC(C)=CC=C1 SBB023566 [0,2,0,0,0,0|1,0,1]=4 354 B14R1.5978 CC(=O)CC(=O)NC1=CC=CC(Cl)=C1 SBB001685 [0,2,0,0,0,0|1,0,1]=4 355 B14R1.158 CCCCOC(=O)CC1=CC=CC=C1 SBB060334 [0,2,0,0,0,0|1,0,0]=3 356 B14R1.423 CC(=O)OCC(=O)NC1=CC=CC=C1 SBB000311 [0,2,0,0,0,0|1,0,1]=4 357 B14R1.423 CC(C)CNC(=O)NC1=CC=CC=C1 SBB056570 [0,2,0,0,0,0|1,0,0]=3 358 B14R1.423 O=C(O)CCC(=O)NC1=CC=CC=C1 SBB006920 [0,2,0,0,0,0|1,0,1]=4 359 B14R1.946 O=C(CCCCl)NC1=CC=CC=C1Cl SBB043872 [0,2,0,0,0,0|1,0,0]=3 360 B14R1.417 CC(=O)CC(=O)N(C)C1=CC=CC=C1 SBB058856 [0,2,0,0,0,0|1,0,1]=4 361 B14R1.510 CCOC(=O)C(C)(C)C1=CC=CC=C1 SBB053782 [0,2,0,0,0,0|2,0,0]=4 362 B14R1.510 CCOC(=O)C(F)(F)C1=CC=CC=C1 SBB092580 [0,2,0,0,0,0|2,0,0]=4 363 B14R1.604 CCOC(=O)C(C#N)C1=CC=CC=C1 SBB054101 [0,2,0,0,0,0|2,0,0]=4 364 B14R1.425 CC(=O)C(Cl)C(=O)NC1=CC=CC=C1 SBB094543 [0,2,0,0,0,0|1,0,1]=4 365 B14R1.532 CCN(CC)C(=O)NC1=CC=CC=C1 SBB056569 [0,2,0,0,0,0|2,0,0]=4 366 B14R1.1007 CCC(Br)C(=O)NC1=C(C)C=CC=C1 SBB108280 [0,2,0,0,0,0|1,0,0]=3 367 B14R1.337 CC(=O)CC(=O)NC1=CC=CC=C1Cl SBB000518 [0,2,0,0,0,0|1,0,1]=4 368 B14R1.433 CC(C)(C)NC(=O)CC1=CC=CC=C1 SBB058209 [0,2,0,0,0,0|2,0,0]=4 369 B14R1.433 CC(C)(C)OC(=O)NC1=CC=CC=C1 SBB008371 [0,2,0,0,0,0|2,0,0]=4 370 B14R1.965 CSC1=CC=CC=C1NC(=O)CCCl SBB047025 [0,2,0,0,0,0|2,0,0]=4 371 B14R1.19171 CCOC(=O)CC1=C(F)C=CC=C1F SBB053714 [0,2,0,0,0,0|2,0,0]=4 372 B12R2.2 C1=CC=C(C2CCCC2)C=C1 SBB060080 [1,0,0,1,0,0|1,0,1]=4 373 B12R2.2 C1=CC=C(C2CCCN2)C=C1 SBB056158 [1,0,0,1,0,0|2,0,0]=4 374 B12R2.41 C1=CC2=C(C=C1)OCCCO2 SBB016570 [1,0,0,1,0,0|1,0,1]=4 375 B12R2.1081 NC1CCOC2=CC=CC=C21 SBB042737 [1,0,0,1,0,0|1,0,1]=4 376 B12R2.1081 O[C@H]1CCOC2=CC=CC=C21 SBB086707 [1,0,0,1,0,0|1,0,1]=4 377 B12R2.2057 C1=CC=C(OCC2CO2)C=C1 SBB060525 [1,0,0,1,0,0|1,0,1]=4 378 B12R2.18 CN1C(=O)CC2=CC=CC=C21 SBB006878 [1,0,0,1,0,0|2,0,0]=4 379 B12R2.18 CN1C(=O)OC2=C1C=CC=C2 SBB017054 [1,0,0,1,0,0|1,0,0]=3 380 B12R2.18 CN1C(=O)SC2=C1C=CC=C2 SBB071442 [1,0,0,1,0,0|1,1,0]=4 381 B12R2.18 CN1C(=S)OC2=C1C=CC=C2 SBB012364 [1,0,0,1,0,0|1,1,0]=4 382 B12R2.24 O=C1C=CC2=C(C=CC=C2)O1 SBB000094 [1,0,0,1,0,0|0,0,2]=4 383 B12R2.24 O=C1CC2=C(C=CC=C2)CO1 SBB068599 [1,0,0,1,0,0|2,0,0]=4 384 B12R2.24 O=C1CCC2=C(C=CC=C2)O1 SBB058834 [1,0,0,1,0,0|0,0,0]=2 385 B12R2.24 O=C1CCC2=CC=CC=C2N1 SBB056014 [1,0,0,1,0,0|1,0,0]=3 386 B12R2.24 O=C1CCN2C=CC=CC2=N1 SBB058237 [1,0,0,1,0,0|2,0,0]=4 387 B12R2.24 O=C1CNC2=C(C=CC=C2)N1 SBB017923 [1,0,0,1,0,0|2,0,0]=4 388 B12R2.24 O=C1COC2=CC=CC=C2N1 SBB016409 [1,0,0,1,0,0|2,0,0]=4 389 B12R2.24 O=C1CSC2=C(C=CC=C2)N1 SBB061807 [1,0,0,1,0,0|2,0,0]=4 390 B12R2.32 CCC1=NC2=CC=CC=C2N1 SBB017222 [1,0,0,1,0,0|2,0,0]=4 391 B12R2.32 CNC1=NC2=C(C=CC=C2)O1 SBB086585 [1,0,0,1,0,0|2,0,0]=4 392 B12R2.32 ClCC1=NC2=CC=CC=C2O1 SBB054950 [1,0,0,1,0,0|2,0,0]=4 393 B12R2.32 NCC1=CC2=CC=CC=C2O1 SBB072101 [1,0,0,1,0,0|2,0,0]=4 394 B12R2.32 NCC1=NC2=CC=CC=C2O1 SBB002785 [1,0,0,1,0,0|2,0,0]=4 395 B12R2.2028 CC1CC(=O)C2=CC=CC=C21 SBB067569 [0,0,0,1,1,0|0,0,0]=2 396 B12R2.2028 O=C1CC(=O)C2=CC=CC=C12 SBB058387 [0,0,0,1,1,0|1,0,1]=4 397 B12R2.2028 O=C1OC(Br)C2=C1C=CC=C2 SBB063763 [0,0,0,1,1,0|2,0,0]=4 398 B12R2.2075 O=C(C1=CC=CC=C1)C2CC2 SBB065028 [0,0,0,1,1,0|0,0,0]=2 399 B14R2.30 O=C1CCCN1CC2=CC=CC=C2 SBB026855 [0,0,0,1,0,1|1,0,0]=3 400 B14R2.112 CCCC1=CC=C2C=CC=CC2=C1 SBB061520 [0,0,0,1,0,1|2,0,0]=4 401 B14R2.598 CC1NC(=O)OC1C2=CC=CC=C2 SBB067625 [0,0,0,1,0,1|1,0,0]=3 402 B14R2.72 NC1=CC=C(OC2CCCC2)C=C1 SBB010614 [0,1,0,1,0,0|1,0,1]=4 403 B14R2.106 CC1=CC2=C(C=C1)OC(CCN)=N2 SBB046334 [0,1,0,1,0,0|2,0,0]=4 404 B14R2.106 CCCC1=NC2=C(C=C(N)C=C2)S1 SBB010878 [0,1,0,1,0,0|1,1,0]=4 405 B14R2.106 CCCC1=NC2=CC(N)=CC=C2O1 SBB051990 [0,1,0,1,0,0|1,0,0]=3 406 B14R2.106 NCCC1=NC2=CC(Cl)=CC=C2O1 SBB046512 [0,1,0,1,0,0|2,0,0]=4 407 B14R2.926 CC1=CC=C(N2CCCC2=O)C=C1 SBB111723 [0,1,0,1,0,0|1,0,0]=3 408 B14R2.926 NC1=CC=C(N2CCCC2=O)C=C1 SBB001510 [0,1,0,1,0,0|1,0,0]=3 409 B14R2.926 O=C1CCCN1C2=CC=C(Br)C=C2 SBB099209 [0,1,0,1,0,0|1,0,0]=3 410 B14R2.926 O=C1CCCN1C2=CC=C(Cl)C=C2 SBB091932 [0,1,0,1,0,0|1,0,0]=3 411 B14R2.926 O=C1CCCN1C2=CC=C(F)C=C2 SBB054204 [0,1,0,1,0,0|1,0,0]=3 412 B14R2.926 O=C1CCCN1C2=CC=C(O)C=C2 SBB015086 [0,1,0,1,0,0|1,0,0]=3 413 B14R2.926 O=C1OCCN1C2=CC=C(O)C=C2 SBB050293 [0,1,0,1,0,0|2,0,0]=4 414 B14R2.949 NC1=CC=C(NC(=O)C2CC2)C=C1 SBB046819 [0,1,0,1,0,0|1,0,0]=3 415 B14R2.949 O=C(NC1=CC=C(I)C=C1)C2CC2 SBB015716 [0,1,0,1,0,0|1,0,0]=3 416 B14R2.8235 CC1=CC(=O)OC2=C1C=C(O)C=C2 SBB019450 [0,1,0,1,0,0|0,0,2]=4 417 B14R2.269 CC1=CC=CC(N2CCCC2=O)=C1 SBB111720 [0,1,0,1,0,0|1,0,0]=3 418 B14R2.269 NC1=CC(N2CCOC2=O)=CC=C1 SBB072662 [0,1,0,1,0,0|2,0,0]=4 419 B14R2.269 NC1=CC=CC(N2CCCC2=O)=C1 SBB010598 [0,1,0,1,0,0|1,0,0]=3 420 B14R2.269 O=C1CCCN1C2=CC(O)=CC=C2 SBB015089 [0,1,0,1,0,0|1,0,0]=3 421 B14R2.269 O=C1OCCN1C2=CC(O)=CC=C2 SBB017855 [0,1,0,1,0,0|2,0,0]=4 422 B14R2.716 NC1=CC(OC2CCCC2)=CC=C1 SBB085417 [0,1,0,1,0,0|1,0,1]=4 423 B14R2.4217 CCN1C(=O)OC2=CC(N)=CC=C21 SBB014673 [0,1,0,1,0,0|1,0,0]=3 424 B14R2.9059 NC1=CC(NC(=O)C2CC2)=CC=C1 SBB046818 [0,1,0,1,0,0|1,0,0]=3 425 B14R2.29365 CC1=CC(=O)OC2=C1C=CC(N)=C2 SBB008517 [0,1,0,1,0,0|0,0,2]=4 426 B14R2.29365 CC1=CC(=O)OC2=C1C=CC(O)=C2 SBB009085 [0,1,0,1,0,0|0,0,2]=4 427 B14R2.29365 CC1=CC2=C(C=C1)C(C)=CC(=O)O2 SBB088913 [0,1,0,1,0,0|0,0,2]=4 428 B14R2.67 CCCSC1=NC2=CC=CC=C2N1 SBB045192 [0,1,0,1,0,0|2,0,0]=4 429 B14R2.67 CCNCC1CC2=C(C=CC=C2)O1 SBB002496 [0,1,0,1,0,0|1,0,1]=4 430 B14R2.67 NCCCC1=NC2=C(C=CC=C2)N1 SBB013188 [0,1,0,1,0,0|2,0,0]=4 431 B14R2.67 OCCCC1=NC2=C(C=CC=C2)N1 SBB019229 [0,1,0,1,0,0|2,0,0]=4 432 B14R2.517 C=CCN1C(=O)OC2=CC=CC=C21 SBB089033 [0,1,0,1,0,0|0,0,2]=4 433 B14R2.517 CCCN1C(=S)NC2=CC=CC=C21 SBB014018 [0,1,0,1,0,0|1,1,0]=4 434 B14R2.517 CCCN1C(N)=NC2=C1C=CC=C2 SBB009349 [0,1,0,1,0,0|2,0,0]=4 435 B14R2.517 CCCN1C2=CC=CC=C2N=C1S SBB016411 [0,1,0,1,0,0|1,1,0]=4 436 B14R2.517 N#CCC1C(=O)NC2=CC=CC=C21 SBB042784 [0,1,0,1,0,0|1,0,1]=4 437 B14R2.517 O=C1NC2=C(C=CC=C2)C1CCO SBB018982 [0,1,0,1,0,0|1,0,0]=3 438 B14R2.517 O=C1NC2=C(C=CC=C2)N1CCO SBB300287 [0,1,0,1,0,0|2,0,0]=4 439 B14R2.517 O=C1SC2=CC=CC=C2N1CCCl SBB094863 [0,1,0,1,0,0|1,1,0]=4 440 B14R2.19306 CCN1C(=O)C(=O)C2=CC=CC=C21 SBB006825 [0,1,0,1,0,0|2,0,0]=4 441 B14R2.1129 CCN1C(C=O)=NC2=C1C=CC=C2 SBB010565 [0,1,0,1,0,0|2,0,0]=4 442 B14R2.741 CC1CNC2=C(C=CC=C2)NC1=O SBB027802 [0,1,0,1,0,0|2,0,0]=4 443 B14R2.741 O=C1NC2=CC=CC=C2CCC1Br SBB099210 [0,1,0,1,0,0|1,0,0]=3 444 B14R2.642 CC(=O)N1C(=O)OC2=C1C=CC=C2 SBB012375 [0,1,0,1,0,0|1,0,1]=4 445 B14R2.642 CC(C)N1C(=O)NC2=CC=CC=C21 SBB056000 [0,1,0,1,0,0|2,0,0]=4 446 B14R2.738 CC1=NC2=C(C=CC=C2)NC(=O)C1 SBB009494 [0,1,0,1,0,0|1,0,1]=4 447 B14R2.738 CC1CC(=O)NC2=CC=CC=C2N1 SBB039215 [0,1,0,1,0,0|1,0,0]=3 448 B14R2.50 NC1=CC=CC=C1OC2CCCC2 SBB010617 [0,1,0,1,0,0|1,0,1]=4 449 B14R2.296 NC1=C(N2CCOC2=O)C=CC=C1 SBB050375 [0,1,0,1,0,0|2,0,0]=4 450 B14R2.296 NC1=CC=CC=C1N2CCCC2=O SBB042763 [0,1,0,1,0,0|1,0,0]=3 451 B14R2.4621 O=C(NC1=CC=CN=C1Cl)C2CC2 SBB047029 [0,1,0,1,0,0|2,0,0]=4 452 B14R3.49 C1=CC2=C(C=C1)C3=C(CCC3)N2 SBB049783 [0,0,0,2,0,0|2,0,0]=4 453 B14R3.14987 C1=CC=C2NC(C3CC3)=NC2=C1 SBB044960 [0,0,0,2,0,0|2,0,0]=4 454 B10R1.15 C#CC(=O)C1=CC=CC=C1 SBB012771 [1,0,0,0,1,0|0,0,2]=4 455 B10R1.15 CCC(=O)C1=CC=CC=C1 SBB058853 [1,0,0,0,1,0|0,0,0]=2 456 B10R1.15 CCC(=O)C1=CC=NC=C1 SBB068976 [1,0,0,0,1,0|1,0,0]=3 457 B10R1.15 CCC(Br)C1=CC=CC=C1 SBB060201 [1,0,0,0,1,0|1,0,1]=4 458 B10R1.15 CCC(C)C1=CC=CC=C1 SBB060615 [1,0,0,0,1,0|1,0,1]=4 459 B10R1.15 CCC(N)C1=CC=CC=C1 SBB029878 [1,0,0,0,1,0|1,0,1]=4 460 B10R1.15 CCC(N)C1=CC=CC=C1 SBB080382 [1,0,0,0,1,0|1,0,1]=4 461 B10R1.15 CCC(O)C1=CC=CC=C1 SBB058750 [1,0,0,0,1,0|0,0,2]=4 462 B10R1.15 CNC(=O)C1=CC=CC=C1 SBB051421 [1,0,0,0,1,0|1,0,0]=3 463 B10R1.15 COC(=N)C1=CC=CC=C1 SBB055305 [1,0,0,0,1,0|2,0,0]=4 464 B10R1.15 COC(=O)C1=CC=CC=C1 SBB058212 [1,0,0,0,1,0|1,0,0]=3 465 B10R1.15 COC(=O)C1=CC=CC=N1 SBB008127 [1,0,0,0,1,0|2,0,0]=4 466 B10R1.15 COC(=O)C1=CC=NC=C1 SBB058848 [1,0,0,0,1,0|2,0,0]=4 467 B10R1.15 COC(=O)C1=CN=CC=C1 SBB040924 [1,0,0,0,1,0|2,0,0]=4 468 B10R1.15 N#CC(=O)C1=CC=CC=C1 SBB058756 [1,0,0,0,1,0|1,0,1]=4 469 B10R1.15 NCC(=O)C1=CC=CC=C1 SBB063139 [1,0,0,0,1,0|1,0,0]=3 470 B10R1.15 NCC(=O)C1=CC=CC=C1 SBB066026 [1,0,0,0,1,0|1,0,0]=3 471 B10R1.15 NNC(=O)C1=CC=CC=C1 SBB040976 [1,0,0,0,1,0|2,0,0]=4 472 B10R1.15 O=C(CBr)C1=CC=NC=C1 SBB051672 [1,0,0,0,1,0|2,0,0]=4 473 B10R1.15 O=C(CBr)C1=CN=CC=C1 SBB005582 [1,0,0,0,1,0|2,0,0]=4 474 B10R1.15 O=C(CBr)C1=NC=CC=C1 SBB005581 [1,0,0,0,1,0|2,0,0]=4 475 B10R1.15 O=C(CO)C1=CC=CC=C1 SBB085926 [1,0,0,0,1,0|1,0,0]=3 476 B10R1.15 O=C(NO)C1=CC=CC=C1 SBB058405 [1,0,0,0,1,0|2,0,0]=4 477 B10R1.15 O=CC(=O)C1=CC=CC=C1 SBB068905 [1,0,0,0,1,0|1,0,1]=4 478 B10R1.15 [NH3+]CC(=O)C1=CC=CC=C1 SBB061439 [1,0,0,0,1,0|1,0,0]=3 479 B10R1.27 CCC(=O)CC1=CC=CO1 SBB014951 [1,0,0,0,1,0|2,0,0]=4 480 B10R1.11 CCOC(=O)C1=CC=CN1 SBB053894 [0,0,0,0,2,0|2,0,0]=4 481 B10R1.11 CCOC(=O)C1=CC=CO1 SBB067087 [0,0,0,0,2,0|2,0,0]=4 482 B10R1.11 CCOC(=O)C1=CC=CS1 SBB058448 [0,0,0,0,2,0|2,0,0]=4 483 B10R1.11 CCOC(=O)C1=CSC=C1 SBB066578 [0,0,0,0,2,0|2,0,0]=4 484 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 SBB003613 [0,0,0,0,0,2|2,0,0]=4