0 B12R1.21 CC(=O)/C=C/C1=CC=C(C=C1)F Z1201619760 [0,0,0,0,0,0|2,0,2]=4 1 B12R1.21 CC(=O)CCC1=CC=C(C=C1)C Z406376788 [0,0,0,0,0,0|1,0,0]=1 2 B12R1.21 CC(=O)CCC1=CC=C(C=C1)F Z406376784 [0,0,0,0,0,0|2,0,0]=2 3 B12R1.21 CC(=O)CCC1=CC=C(C=C1)I Z1263632422 [0,0,0,0,0,0|2,0,0]=2 4 B12R1.21 CC(=O)NCC1=CC=C(C=C1)Br Z816034502 [0,0,0,0,0,0|3,0,0]=3 5 B12R1.21 CC(=O)NCC1=CC=C(C=C1)N Z600391558 [0,0,0,0,0,0|3,0,0]=3 6 B12R1.21 CC(=O)NNC1=CC=C(C=C1)F Z30877183 [0,0,0,0,0,0|4,0,0]=4 7 B12R1.21 CC(C)CCC1=CC=C(C=C1)N Z424736042 [0,0,0,0,0,0|3,0,1]=4 8 B12R1.21 CC(N)CCC1=CC=C(C=C1)Br Z235361851 [0,0,0,0,0,0|3,0,1]=4 9 B12R1.21 CC(N)CCC1=CC=C(C=C1)I Z1947443961 [0,0,0,0,0,0|3,0,1]=4 10 B12R1.21 CC(N)CCC1=CC=C(C=C1)O Z220327456 [0,0,0,0,0,0|3,0,1]=4 11 B12R1.21 CC(O)CCC1=CC=C(C=C1)O Z57921369 [0,0,0,0,0,0|2,0,1]=3 12 B12R1.21 CC1=CC=C(C=C1)/C=C/C(=O)O Z2942851512 [0,0,0,0,0,0|0,0,2]=2 13 B12R1.21 CC1=CC=C(C=C1)CCC(=O)N Z194976512 [0,0,0,0,0,0|1,0,0]=1 14 B12R1.21 CC1=CC=C(C=C1)CCC(=O)O Z169855336 [0,0,0,0,0,0|0,0,0]=0 15 B12R1.21 CC1=CC=C(C=C1)CNC(=N)N Z911465430 [0,0,0,0,0,0|3,0,0]=3 16 B12R1.21 CC1=CC=C(C=C1)CNC(=O)N Z198194838 [0,0,0,0,0,0|2,0,0]=2 17 B12R1.21 CC1=CC=C(C=C1)CNC(=S)N Z56915894 [0,0,0,0,0,0|2,1,0]=3 18 B12R1.21 CC1=CC=C(C=C1)NCC(C)C Z334955606 [0,0,0,0,0,0|3,0,1]=4 19 B12R1.21 CC1=CC=C(C=C1)OCC(=O)N Z19732046 [0,0,0,0,0,0|2,0,0]=2 20 B12R1.21 CC1=CC=C(C=C1)OCC(=O)O Z56812739 [0,0,0,0,0,0|1,0,0]=1 21 B12R1.21 CC1=CC=C(C=C1)OCC(=S)N Z295396970 [0,0,0,0,0,0|2,1,0]=3 22 B12R1.21 CC1=CC=C(C=C1)OCC(C)N Z285166960 [0,0,0,0,0,0|3,0,1]=4 23 B12R1.21 CC1=CC=C(C=C1)SCC(=O)N Z18770000 [0,0,0,0,0,0|2,0,0]=2 24 B12R1.21 CC1=CC=C(C=C1)SCC(=O)O Z55903478 [0,0,0,0,0,0|1,0,0]=1 25 B12R1.21 CC1=CC=C(C=C1)SCC(C)N Z1238717325 [0,0,0,0,0,0|3,0,1]=4 26 B12R1.21 CC1=CC=C(C=C1)SC[N+](=O)[O-] Z2026405117 [0,0,0,0,0,0|2,0,1]=3 27 B12R1.21 CC1=CN=C(C=C1)/C=C/C(=O)O Z1816507718 [0,0,0,0,0,0|1,0,2]=3 28 B12R1.21 CC1=NC=C(C=C1)/C=C/C(=O)O Z1815157396 [0,0,0,0,0,0|1,0,2]=3 29 B12R1.21 CC1=NC=C(C=C1)CCC(=O)O Z2310699273 [0,0,0,0,0,0|1,0,0]=1 30 B12R1.21 CN(C)CCC1=CC=C(C=C1)Br Z2335774813 [0,0,0,0,0,0|4,0,0]=4 31 B12R1.21 CN(C)CCC1=CC=C(C=C1)N Z335289246 [0,0,0,0,0,0|4,0,0]=4 32 B12R1.21 N=C(N)SCC1=CC=C(C=C1)Br Z48820389 [0,0,0,0,0,0|4,0,0]=4 33 B12R1.21 N=C(N)SCC1=CC=C(C=C1)Cl Z48820386 [0,0,0,0,0,0|4,0,0]=4 34 B12R1.21 NC(=O)/C=C/C1=CC=C(C=C1)Br Z33545605 [0,0,0,0,0,0|2,0,2]=4 35 B12R1.21 NC(=O)CCC1=CC=C(C=C1)F Z87614992 [0,0,0,0,0,0|2,0,0]=2 36 B12R1.21 NC(=O)CCC1=CC=C(C=C1)N Z414316852 [0,0,0,0,0,0|2,0,0]=2 37 B12R1.21 NC(=O)CNC1=CC=C(C=C1)Br Z104586672 [0,0,0,0,0,0|3,0,0]=3 38 B12R1.21 NC(=O)CNC1=CC=C(C=C1)Cl Z104647358 [0,0,0,0,0,0|3,0,0]=3 39 B12R1.21 NC(=O)CNC1=CC=C(C=C1)I Z104728120 [0,0,0,0,0,0|3,0,0]=3 40 B12R1.21 NC(=O)COC1=CC=C(C=C1)Br Z19725712 [0,0,0,0,0,0|3,0,0]=3 41 B12R1.21 NC(=O)COC1=CC=C(C=C1)F Z19734788 [0,0,0,0,0,0|3,0,0]=3 42 B12R1.21 NC(=O)COC1=CC=C(C=C1)I Z25086979 [0,0,0,0,0,0|3,0,0]=3 43 B12R1.21 NC(=O)COC1=CC=C(C=C1)N Z239127428 [0,0,0,0,0,0|3,0,0]=3 44 B12R1.21 NC(=O)COC1=CC=C(C=C1)O Z381414726 [0,0,0,0,0,0|3,0,0]=3 45 B12R1.21 NC(=O)CSC1=CC=C(C=C1)Br Z18744574 [0,0,0,0,0,0|3,0,0]=3 46 B12R1.21 NC(=O)CSC1=CC=C(C=C1)F Z16034821 [0,0,0,0,0,0|3,0,0]=3 47 B12R1.21 NC(=O)NCC1=CC=C(C=C1)F Z198194834 [0,0,0,0,0,0|3,0,0]=3 48 B12R1.21 NC(=O)NCC1=CC=C(C=C1)N Z600391988 [0,0,0,0,0,0|3,0,0]=3 49 B12R1.21 NC(=S)COC1=CC=C(C=C1)Cl Z295395122 [0,0,0,0,0,0|3,1,0]=4 50 B12R1.21 NC(=S)NCC1=CC=C(C=C1)F Z111411726 [0,0,0,0,0,0|3,1,0]=4 51 B12R1.21 NC1=CC=C(C=C1)/C=C/C(=O)O Z56762319 [0,0,0,0,0,0|1,0,2]=3 52 B12R1.21 NC1=CC=C(C=C1)CCC(=O)O Z336079452 [0,0,0,0,0,0|1,0,0]=1 53 B12R1.21 NC1=CC=C(C=C1)OCC(=O)O Z3241275736 [0,0,0,0,0,0|2,0,0]=2 54 B12R1.21 NC1=NC=C(C=C1)/C=C/C(=O)O Z1374884316 [0,0,0,0,0,0|2,0,2]=4 55 B12R1.21 NC1=NC=C(C=C1)CCC(=O)O Z1255384430 [0,0,0,0,0,0|2,0,0]=2 56 B12R1.21 O=C(O)/C=C/C1=CC=C(C=C1)Br Z2237493681 [0,0,0,0,0,0|1,0,2]=3 57 B12R1.21 O=C(O)/C=C/C1=CC=C(C=C1)Cl Z56989206 [0,0,0,0,0,0|1,0,2]=3 58 B12R1.21 O=C(O)/C=C/C1=CC=C(C=C1)F Z2942851074 [0,0,0,0,0,0|1,0,2]=3 59 B12R1.21 O=C(O)/C=C/C1=CC=C(C=C1)O Z56911963 [0,0,0,0,0,0|1,0,2]=3 60 B12R1.21 O=C(O)/C=C/C1=CN=C(C=C1)Cl Z1962225677 [0,0,0,0,0,0|2,0,2]=4 61 B12R1.21 O=C(O)/C=C/C1=CN=C(C=C1)F Z2949503127 [0,0,0,0,0,0|2,0,2]=4 62 B12R1.21 O=C(O)CCC1=CC=C(C=C1)Br Z118438622 [0,0,0,0,0,0|1,0,0]=1 63 B12R1.21 O=C(O)CCC1=CC=C(C=C1)Cl Z178961272 [0,0,0,0,0,0|1,0,0]=1 64 B12R1.21 O=C(O)CCC1=CC=C(C=C1)F Z89264973 [0,0,0,0,0,0|1,0,0]=1 65 B12R1.21 O=C(O)CCC1=CC=C(C=C1)O Z317038012 [0,0,0,0,0,0|1,0,0]=1 66 B12R1.21 O=C(O)CCC1=CN=C(C=C1)Cl Z1695923041 [0,0,0,0,0,0|2,0,0]=2 67 B12R1.21 O=C(O)CCC1=CNC(=O)C=C1 Z1889997460 [0,0,0,0,0,0|2,0,0]=2 68 B12R1.21 O=C(O)CCC1=NC=C(C=C1)Br Z1269216724 [0,0,0,0,0,0|2,0,0]=2 69 B12R1.21 O=C(O)CCC1=NC=C(C=N1)F Z1347205920 [0,0,0,0,0,0|3,0,0]=3 70 B12R1.21 O=C(O)CNC1=CC=C(C=C1)Br Z274534708 [0,0,0,0,0,0|2,0,0]=2 71 B12R1.21 O=C(O)CNC1=CC=C(C=C1)Cl Z274534702 [0,0,0,0,0,0|2,0,0]=2 72 B12R1.21 O=C(O)CNC1=CC=C(C=C1)O Z57127481 [0,0,0,0,0,0|2,0,0]=2 73 B12R1.21 O=C(O)COC1=CC=C(C=C1)Br Z56812736 [0,0,0,0,0,0|2,0,0]=2 74 B12R1.21 O=C(O)COC1=CC=C(C=C1)Cl Z57181989 [0,0,0,0,0,0|2,0,0]=2 75 B12R1.21 O=C(O)COC1=CC=C(C=C1)F Z56978034 [0,0,0,0,0,0|2,0,0]=2 76 B12R1.21 O=C(O)COC1=CC=C(C=C1)I Z56943814 [0,0,0,0,0,0|2,0,0]=2 77 B12R1.21 O=C(O)COC1=CC=C(C=C1)O Z1192367471 [0,0,0,0,0,0|2,0,0]=2 78 B12R1.21 O=C(O)COC1=NC=C(C=C1)Br Z1269227587 [0,0,0,0,0,0|3,0,0]=3 79 B12R1.21 O=C(O)COC1=NC=C(C=C1)F Z1723875084 [0,0,0,0,0,0|3,0,0]=3 80 B12R1.21 O=C(O)CSC1=CC=C(C=C1)Br Z55903477 [0,0,0,0,0,0|2,0,0]=2 81 B12R1.21 O=C(O)CSC1=CC=C(C=C1)Cl Z55179956 [0,0,0,0,0,0|2,0,0]=2 82 B12R1.21 O=C(O)CSC1=CC=C(C=C1)F Z55903650 [0,0,0,0,0,0|2,0,0]=2 83 B12R1.21 O=C(O)CSC1=CC=C(C=C1)O Z733878444 [0,0,0,0,0,0|2,0,0]=2 84 B12R1.21 O=C([O-])COC1=NC=C(C=C1)Cl Z3445335054 [0,0,0,0,0,0|3,0,1]=4 85 B11R1.1 C#CCNC1=CC=C(C=C1)C Z266486858 [1,0,0,0,0,0|2,0,1]=4 86 B11R1.1 C#CCOC1=CC=C(C=C1)C Z54775509 [1,0,0,0,0,0|2,0,1]=4 87 B11R1.1 C=CCOC1=CC=C(C=C1)O Z381414818 [1,0,0,0,0,0|3,0,0]=4 88 B11R1.1 CC1=CC=C(C=C1)CCCN Z4639316723 [1,0,0,0,0,0|1,0,1]=3 89 B11R1.1 CC1=CC=C(C=C1)NCC#N Z56855172 [1,0,0,0,0,0|2,0,1]=4 90 B11R1.1 CC1=CC=C(C=C1)OCCBr Z56886357 [1,0,0,0,0,0|2,0,1]=4 91 B11R1.1 CC1=CC=C(C=C1)OCCN Z54747869 [1,0,0,0,0,0|2,0,1]=4 92 B11R1.1 CC1=CC=C(C=C1)SCC#N Z54591058 [1,0,0,0,0,0|2,0,1]=4 93 B11R1.1 CC1=CC=C(C=C1)SCCCl Z90122598 [1,0,0,0,0,0|2,0,1]=4 94 B11R1.1 CC1=CC=C(C=C1)SCCO Z149178580 [1,0,0,0,0,0|1,0,1]=3 95 B11R1.1 CC1=NC=C(C=C1)/C=C/C=O Z1695735078 [1,0,0,0,0,0|1,0,2]=4 96 B11R1.1 CC1=NC=C(C=C1)CCC=O Z1233208116 [1,0,0,0,0,0|1,0,0]=2 97 B11R1.1 CCCCC1=CC=C(C=C1)N Z104475500 [1,0,0,0,0,0|2,0,1]=4 98 B11R1.1 CNCCC1=CC=C(C=C1)Br Z385447024 [1,0,0,0,0,0|3,0,0]=4 99 B11R1.1 CNCCC1=CC=C(C=C1)C Z5115849578 [1,0,0,0,0,0|2,0,0]=3 100 B11R1.1 CNCCC1=CC=C(C=C1)Cl Z1623872266 [1,0,0,0,0,0|3,0,0]=4 101 B11R1.1 CNCCC1=CC=C(C=C1)F Z138454998 [1,0,0,0,0,0|3,0,0]=4 102 B11R1.1 COCCC1=CC=C(C=C1)Br Z299596190 [1,0,0,0,0,0|3,0,0]=4 103 B11R1.1 COCCC1=CC=C(C=C1)Cl Z1470894103 [1,0,0,0,0,0|3,0,0]=4 104 B11R1.1 COCCC1=CC=C(C=C1)O Z104485614 [1,0,0,0,0,0|3,0,0]=4 105 B11R1.1 CSCCC1=CC=C(C=C1)N Z732207426 [1,0,0,0,0,0|3,0,0]=4 106 B11R1.1 N#CCCC1=CC=C(C=C1)N Z4750298565 [1,0,0,0,0,0|2,0,1]=4 107 B11R1.1 NC1=CC=C(C=C1)OCCO Z332379386 [1,0,0,0,0,0|2,0,1]=4 108 B11R1.1 NCCCC1=CC=C(C=C1)Br Z3980240042 [1,0,0,0,0,0|2,0,1]=4 109 B11R1.1 NCCCC1=CC=C(C=C1)Cl Z992716848 [1,0,0,0,0,0|2,0,1]=4 110 B11R1.1 NCCCC1=CC=C(C=C1)F Z3244753845 [1,0,0,0,0,0|2,0,1]=4 111 B11R1.1 NCCCC1=CC=C(C=C1)N Z5453008768 [1,0,0,0,0,0|2,0,1]=4 112 B11R1.1 NCCCC1=CC=C(C=C1)O Z1270210797 [1,0,0,0,0,0|2,0,1]=4 113 B11R1.1 O=C/C=C/C1=CC=C(C=C1)Br Z1269187977 [1,0,0,0,0,0|1,0,2]=4 114 B11R1.1 O=C/C=C/C1=CC=C(C=C1)Cl Z2242062296 [1,0,0,0,0,0|1,0,2]=4 115 B11R1.1 O=C/C=C/C1=CC=C(C=C1)F Z2768202189 [1,0,0,0,0,0|1,0,2]=4 116 B11R1.1 O=CCCC1=CC=C(C=C1)Br Z993017756 [1,0,0,0,0,0|1,0,0]=2 117 B11R1.1 O=CCCC1=CC=C(C=C1)Cl Z993017742 [1,0,0,0,0,0|1,0,0]=2 118 B11R1.1 O=CCCC1=CC=C(C=C1)F Z993017748 [1,0,0,0,0,0|1,0,0]=2 119 B11R1.1 O=CCOC1=CC=C(C=C1)F Z854102568 [1,0,0,0,0,0|2,0,0]=3 120 B11R1.1 O=CCSC1=CC=C(C=C1)F Z854102782 [1,0,0,0,0,0|2,0,0]=3 121 B11R1.1 OCCCC1=CC=C(C=C1)F Z992949550 [1,0,0,0,0,0|1,0,1]=3 122 B11R1.1 OCCNC1=CC=C(C=C1)Br Z335275406 [1,0,0,0,0,0|2,0,1]=4 123 B11R1.1 OCCOC1=CC=C(C=C1)Br Z335092354 [1,0,0,0,0,0|2,0,1]=4 124 B11R1.1 OCCOC1=CC=C(C=C1)O Z381414946 [1,0,0,0,0,0|2,0,1]=4 125 B11R1.1 OCCSC1=CC=C(C=C1)Br Z149190682 [1,0,0,0,0,0|2,0,1]=4 126 B11R1.1 OCCSC1=CC=C(C=C1)Cl Z149162370 [1,0,0,0,0,0|2,0,1]=4 127 B11R1.91 CC(=O)/C=C/C1=CC=CC=C1 Z2582847786 [1,0,0,0,0,0|1,0,2]=4 128 B11R1.91 CC(=O)CSC1=CC=CC=C1 Z19751394 [1,0,0,0,0,0|2,0,0]=3 129 B11R1.91 CC(=O)NCC1=CC=CC=C1 Z27749489 [1,0,0,0,0,0|2,0,0]=3 130 B11R1.91 CC(=O)NCC1=NC=CC=C1 Z324553036 [1,0,0,0,0,0|3,0,0]=4 131 B11R1.91 CC(=O)NNC1=CC=CC=C1 Z27767717 [1,0,0,0,0,0|3,0,0]=4 132 B11R1.91 CC(=O)OCC1=CC=CC=C1 Z19628364 [1,0,0,0,0,0|2,0,0]=3 133 B11R1.91 CC(N)CCC1=CC=CC=C1 Z104476462 [1,0,0,0,0,0|2,0,1]=4 134 B11R1.91 CC(O)CNC1=CC=CC=C1 Z234898271 [1,0,0,0,0,0|2,0,1]=4 135 B11R1.91 CN(C)CCC1=CC=CC=C1 Z168912026 [1,0,0,0,0,0|3,0,0]=4 136 B11R1.91 C[C@H](N)CCC1=CC=CC=C1 Z5044990030 [1,0,0,0,0,0|2,0,1]=4 137 B11R1.91 N=C(N)CCC1=CC=CC=C1 Z2092176896 [1,0,0,0,0,0|2,0,0]=3 138 B11R1.91 N=C(N)COC1=CC=CC=C1 Z1532540938 [1,0,0,0,0,0|3,0,0]=4 139 B11R1.91 N=C(N)CSC1=CC=CC=C1 Z1532718998 [1,0,0,0,0,0|3,0,0]=4 140 B11R1.91 N=C(N)SCC1=CC=CC=C1 Z89242849 [1,0,0,0,0,0|3,0,0]=4 141 B11R1.91 NC(=O)CCC1=CC=CC=C1 Z33546514 [1,0,0,0,0,0|1,0,0]=2 142 B11R1.91 NC(=O)CCC1=CC=NC=C1 Z1095213378 [1,0,0,0,0,0|2,0,0]=3 143 B11R1.91 NC(=O)CNC1=CC=CC=C1 Z104583968 [1,0,0,0,0,0|2,0,0]=3 144 B11R1.91 NC(=O)COC1=CC=CC=C1 Z19735702 [1,0,0,0,0,0|2,0,0]=3 145 B11R1.91 NC(=O)COC1=CN=CC=C1 Z336080090 [1,0,0,0,0,0|3,0,0]=4 146 B11R1.91 NC(=O)CSC1=CC=CC=C1 Z19751390 [1,0,0,0,0,0|2,0,0]=3 147 B11R1.91 NC(=O)CSC1=CC=NC=C1 Z33546963 [1,0,0,0,0,0|3,0,0]=4 148 B11R1.91 NC(=O)NCC1=CC=CC=C1 Z104476310 [1,0,0,0,0,0|2,0,0]=3 149 B11R1.91 NC(=O)NCC1=CC=NC=C1 Z198194796 [1,0,0,0,0,0|3,0,0]=4 150 B11R1.91 NC(=O)NCC1=CN=CC=C1 Z57664442 [1,0,0,0,0,0|3,0,0]=4 151 B11R1.91 NC(=O)NCC1=NC=CC=C1 Z198194794 [1,0,0,0,0,0|3,0,0]=4 152 B11R1.91 NC(=O)OCC1=CC=CC=C1 Z33547079 [1,0,0,0,0,0|2,0,0]=3 153 B11R1.91 NC(=S)CCC1=CC=CC=C1 Z56824950 [1,0,0,0,0,0|1,1,0]=3 154 B11R1.91 NC(=S)COC1=CC=CC=C1 Z108595128 [1,0,0,0,0,0|2,1,0]=4 155 B11R1.91 NC(=S)NCC1=CC=CC=C1 Z56900892 [1,0,0,0,0,0|2,1,0]=4 156 B11R1.91 O=C(O)/C=C/C1=CC=CC=C1 Z104474406 [1,0,0,0,0,0|0,0,2]=3 157 B11R1.91 O=C(O)/C=C/C1=CC=NC=C1 Z2315575398 [1,0,0,0,0,0|1,0,2]=4 158 B11R1.91 O=C(O)/C=C/C1=CN=CC=C1 Z2315575379 [1,0,0,0,0,0|1,0,2]=4 159 B11R1.91 O=C(O)/C=C/C1=NC=CC=C1 Z57069085 [1,0,0,0,0,0|1,0,2]=4 160 B11R1.91 O=C(O)C#CC1=CC=CC=C1 Z271128592 [1,0,0,0,0,0|0,0,2]=3 161 B11R1.91 O=C(O)CCC1=CC=CC=C1 Z57127332 [1,0,0,0,0,0|0,0,0]=1 162 B11R1.91 O=C(O)CCC1=CC=NC=C1 Z317037982 [1,0,0,0,0,0|1,0,0]=2 163 B11R1.91 O=C(O)CCC1=CN=CC=C1 Z89264892 [1,0,0,0,0,0|1,0,0]=2 164 B11R1.91 O=C(O)CCC1=CN=CN=C1 Z1198279878 [1,0,0,0,0,0|2,0,0]=3 165 B11R1.91 O=C(O)CCC1=NC=CC=C1 Z317037998 [1,0,0,0,0,0|1,0,0]=2 166 B11R1.91 O=C(O)CCC1=NC=CC=N1 Z1255372831 [1,0,0,0,0,0|2,0,0]=3 167 B11R1.91 O=C(O)CCC1=NC=CN=C1 Z1198184629 [1,0,0,0,0,0|2,0,0]=3 168 B11R1.91 O=C(O)CCC1=NC=NC=C1 Z1184882132 [1,0,0,0,0,0|2,0,0]=3 169 B11R1.91 O=C(O)CNC1=CC=CC=C1 Z104496210 [1,0,0,0,0,0|1,0,0]=2 170 B11R1.91 O=C(O)CNC1=CC=NC=C1 Z2350906909 [1,0,0,0,0,0|2,0,0]=3 171 B11R1.91 O=C(O)CNC1=CN=CC=C1 Z3058782338 [1,0,0,0,0,0|2,0,0]=3 172 B11R1.91 O=C(O)CNC1=NC=CC=C1 Z2470036492 [1,0,0,0,0,0|2,0,0]=3 173 B11R1.91 O=C(O)CNC1=NC=CC=N1 Z228588498 [1,0,0,0,0,0|3,0,0]=4 174 B11R1.91 O=C(O)COC1=CC=CC=C1 Z57182011 [1,0,0,0,0,0|1,0,0]=2 175 B11R1.91 O=C(O)COC1=CN=CC=C1 Z1171978878 [1,0,0,0,0,0|2,0,0]=3 176 B11R1.91 O=C(O)CSC1=CC=CC=C1 Z104484982 [1,0,0,0,0,0|1,0,0]=2 177 B11R1.91 O=C(O)CSC1=CC=NC=C1 Z104479390 [1,0,0,0,0,0|2,0,0]=3 178 B11R1.91 O=C(O)CSC1=NC=CC=C1 Z31205663 [1,0,0,0,0,0|2,0,0]=3 179 B11R1.91 O=C(O)CSC1=NC=CC=N1 Z31205664 [1,0,0,0,0,0|3,0,0]=4 180 B11R1.91 O=C([O-])COC1=NC=CC=C1 Z2989350877 [1,0,0,0,0,0|2,0,1]=4 181 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 Z995234780 [1,0,0,0,0,0|1,0,1]=3 182 B11R1.91 O=[N+]([O-])CSC1=CC=CC=C1 Z1255375331 [1,0,0,0,0,0|2,0,1]=4 183 B11R1.91 OB(O)CCC1=CC=CC=C1 Z1147227790 [1,0,0,0,0,0|1,0,1]=3 184 B13R1.3 CC(=O)NCC1=CC=C(C=C1)C=O Z1509193114 [0,1,0,0,0,0|2,0,1]=4 185 B13R1.3 CCC1=CC=C(C=C1)/C=C/C(=O)O Z2942851866 [0,1,0,0,0,0|0,0,2]=3 186 B13R1.3 CCC1=CC=C(C=C1)CCC(=O)N Z62734438 [0,1,0,0,0,0|1,0,0]=2 187 B13R1.3 CCC1=CC=C(C=C1)CCC(=O)O Z85929397 [0,1,0,0,0,0|0,0,0]=1 188 B13R1.3 CCC1=CC=C(C=C1)OCC(=O)O Z56824185 [0,1,0,0,0,0|1,0,0]=2 189 B13R1.3 COC1=CC=C(C=C1)/C=C/C(=O)O Z56931888 [0,1,0,0,0,0|0,0,2]=3 190 B13R1.3 COC1=CC=C(C=C1)C#CC(=O)O Z57100824 [0,1,0,0,0,0|0,0,2]=3 191 B13R1.3 COC1=CC=C(C=C1)CCC(=O)N Z33545386 [0,1,0,0,0,0|1,0,0]=2 192 B13R1.3 COC1=CC=C(C=C1)CCC(=O)O Z104486868 [0,1,0,0,0,0|0,0,0]=1 193 B13R1.3 COC1=CC=C(C=C1)CCC(C)N Z278080480 [0,1,0,0,0,0|2,0,1]=4 194 B13R1.3 COC1=CC=C(C=C1)CCN(C)C Z168912118 [0,1,0,0,0,0|3,0,0]=4 195 B13R1.3 COC1=CC=C(C=C1)CNC(=O)N Z198194812 [0,1,0,0,0,0|2,0,0]=3 196 B13R1.3 COC1=CC=C(C=C1)OCC(=O)O Z57229609 [0,1,0,0,0,0|1,0,0]=2 197 B13R1.3 COC1=CC=C(C=C1)OCC(=S)N Z295395794 [0,1,0,0,0,0|2,1,0]=4 198 B13R1.3 COC1=CC=C(C=C1)SCC(=O)N Z51312064 [0,1,0,0,0,0|2,0,0]=3 199 B13R1.3 COC1=CC=C(C=C1)SCC(=O)O Z56770877 [0,1,0,0,0,0|1,0,0]=2 200 B13R1.3 COC1=CN=C(C=C1)/C=C/C(=O)O Z1815157394 [0,1,0,0,0,0|1,0,2]=4 201 B13R1.3 COC1=NC=C(C=C1)CCC(=O)O Z1255504957 [0,1,0,0,0,0|1,0,0]=2 202 B13R1.3 CSC1=CC=C(C=C1)/C=C/C(=O)O Z2895087258 [0,1,0,0,0,0|0,0,2]=3 203 B13R1.3 CSC1=CC=C(C=C1)CCC(=O)O Z363916360 [0,1,0,0,0,0|0,0,0]=1 204 B13R1.3 CSC1=CC=C(C=C1)OCC(=N)N Z1436472894 [0,1,0,0,0,0|3,0,0]=4 205 B13R1.3 N#CC1=CC=C(C=C1)/C=C/C(=O)O Z2942851604 [0,1,0,0,0,0|0,0,3]=4 206 B13R1.3 N#CC1=CC=C(C=C1)CCC(=O)O Z178961286 [0,1,0,0,0,0|0,0,1]=2 207 B13R1.3 N#CC1=CC=C(C=C1)NCC(=O)O Z331870794 [0,1,0,0,0,0|1,0,1]=3 208 B13R1.3 N#CC1=CC=C(C=C1)OCC(=O)N Z19739846 [0,1,0,0,0,0|2,0,1]=4 209 B13R1.3 N#CC1=CC=C(C=C1)OCC(=O)O Z56823031 [0,1,0,0,0,0|1,0,1]=3 210 B13R1.3 N#CC1=CC=C(C=C1)SCC(=O)O Z331871190 [0,1,0,0,0,0|1,0,1]=3 211 B13R1.3 N#CC1=CN=C(C=C1)NCC(=O)O Z281816324 [0,1,0,0,0,0|2,0,1]=4 212 B13R1.3 NC(=O)COC1=CC=C(C=C1)C=O Z19658298 [0,1,0,0,0,0|2,0,1]=4 213 B13R1.3 NCC1=CC=C(C=C1)CCC(=O)O Z3301412701 [0,1,0,0,0,0|0,0,0]=1 214 B13R1.3 NCC1=CC=C(C=C1)OCC(=O)N Z228474638 [0,1,0,0,0,0|2,0,0]=3 215 B13R1.3 O=C(O)CCC1=CC=C(C=C1)CO Z1262512949 [0,1,0,0,0,0|0,0,0]=1 216 B13R1.3 O=C(O)COC1=CC=C(C=C1)CO Z359627548 [0,1,0,0,0,0|1,0,0]=2 217 B13R1.3 O=CC1=CC=C(C=C1)/C=C/C(=O)O Z1255434745 [0,1,0,0,0,0|0,0,3]=4 218 B13R1.3 O=CC1=CC=C(C=C1)CCC(=O)O Z1954800611 [0,1,0,0,0,0|0,0,1]=2 219 B13R1.3 O=CC1=CC=C(C=C1)OCC(=O)O Z57305439 [0,1,0,0,0,0|1,0,1]=3 220 B13R1.14 C=CC(=O)NCC1=CC=C(C=C1)F Z440633684 [0,1,0,0,0,0|3,0,0]=4 221 B13R1.14 CC1=CC=C(C=C1)CNC(=O)CCl Z56886473 [0,1,0,0,0,0|2,0,0]=3 222 B13R1.14 CC1=CC=C(C=C1)NCC(=O)NN Z56869291 [0,1,0,0,0,0|2,0,0]=3 223 B13R1.14 CC1=CC=C(C=C1)SCC(=O)NN Z57985381 [0,1,0,0,0,0|2,0,0]=3 224 B13R1.14 CCC(=O)CCC1=CC=C(C=C1)Br Z406378158 [0,1,0,0,0,0|2,0,0]=3 225 B13R1.14 CCC(=O)CSC1=CC=C(C=C1)Cl Z916925670 [0,1,0,0,0,0|3,0,0]=4 226 B13R1.14 CNC(=O)/C=C/C1=CC=C(C=C1)C Z32016902 [0,1,0,0,0,0|1,0,2]=4 227 B13R1.14 CNC(=O)CCC1=CC=C(C=C1)Br Z1336804093 [0,1,0,0,0,0|2,0,0]=3 228 B13R1.14 CNC(=O)CCC1=CC=C(C=C1)C Z192611328 [0,1,0,0,0,0|1,0,0]=2 229 B13R1.14 CNC(=O)CCC1=CC=C(C=C1)F Z135505342 [0,1,0,0,0,0|2,0,0]=3 230 B13R1.14 CNC(=O)CNC1=CC=C(C=C1)C Z32016140 [0,1,0,0,0,0|2,0,0]=3 231 B13R1.14 CNC(=O)COC1=CC=C(C=C1)Br Z19725438 [0,1,0,0,0,0|3,0,0]=4 232 B13R1.14 CNC(=O)COC1=CC=C(C=C1)Cl Z19727266 [0,1,0,0,0,0|3,0,0]=4 233 B13R1.14 CNC(=O)COC1=CC=C(C=C1)N Z285226602 [0,1,0,0,0,0|3,0,0]=4 234 B13R1.14 CNC(=O)COC1=CC=C(C=C1)O Z381414890 [0,1,0,0,0,0|3,0,0]=4 235 B13R1.14 CNC(=O)CSC1=CC=C(C=C1)C Z18769689 [0,1,0,0,0,0|2,0,0]=3 236 B13R1.14 CNC(=O)CSC1=CC=C(C=C1)Cl Z19728420 [0,1,0,0,0,0|3,0,0]=4 237 B13R1.14 COC(=O)/C=C/C1=CC=C(C=C1)Br Z18161847 [0,1,0,0,0,0|1,0,2]=4 238 B13R1.14 COC(=O)/C=C/C1=CC=C(C=C1)F Z18711475 [0,1,0,0,0,0|1,0,2]=4 239 B13R1.14 COC(=O)/C=C/C1=CC=C(C=C1)O Z24946550 [0,1,0,0,0,0|1,0,2]=4 240 B13R1.14 COC(=O)CCC1=CC=C(C=C1)N Z802847350 [0,1,0,0,0,0|1,0,0]=2 241 B13R1.14 COC(=O)CCC1=CC=C(C=C1)O Z796576156 [0,1,0,0,0,0|1,0,0]=2 242 B13R1.14 COC(=O)CNC1=NC=C(C=C1)Br Z359300516 [0,1,0,0,0,0|3,0,0]=4 243 B13R1.14 COC(=O)COC1=CC=C(C=C1)Br Z19221314 [0,1,0,0,0,0|2,0,0]=3 244 B13R1.14 COC(=O)COC1=CC=C(C=C1)N Z57469153 [0,1,0,0,0,0|2,0,0]=3 245 B13R1.14 COC(=O)COC1=CC=C(C=C1)O Z1190318463 [0,1,0,0,0,0|2,0,0]=3 246 B13R1.14 COC(=O)CSC1=CC=C(C=C1)N Z5069220280 [0,1,0,0,0,0|2,0,0]=3 247 B13R1.14 COC(C)CNC1=CC=C(C=C1)C Z1647435249 [0,1,0,0,0,0|2,0,1]=4 248 B13R1.14 NNC(=O)CNC1=CC=C(C=C1)F Z56968886 [0,1,0,0,0,0|3,0,0]=4 249 B13R1.14 NNC(=O)CNC1=CC=C(C=C1)I Z56797544 [0,1,0,0,0,0|3,0,0]=4 250 B13R1.14 NNC(=O)COC1=CC=C(C=C1)Br Z56797458 [0,1,0,0,0,0|3,0,0]=4 251 B13R1.14 NNC(=O)COC1=CC=C(C=C1)Cl Z56862620 [0,1,0,0,0,0|3,0,0]=4 252 B13R1.14 NNC(=O)COC1=CC=C(C=C1)F Z56933789 [0,1,0,0,0,0|3,0,0]=4 253 B13R1.14 NNC(=O)CSC1=CC=C(C=C1)Cl Z56853741 [0,1,0,0,0,0|3,0,0]=4 254 B13R1.14 O=C(CCl)COC1=CC=C(C=C1)Cl Z1269140193 [0,1,0,0,0,0|3,0,0]=4 255 B13R1.14 O=C(CCl)NCC1=CC=C(C=C1)Cl Z56896171 [0,1,0,0,0,0|3,0,0]=4 256 B13R1.14 O=C(CCl)NCC1=CC=C(C=C1)F Z56822453 [0,1,0,0,0,0|3,0,0]=4 257 B13R1.14 O=C(CO)NCC1=CC=C(C=C1)Cl Z199532110 [0,1,0,0,0,0|2,0,0]=3 258 B13R1.14 O=C(CO)NCC1=CC=C(C=C1)F Z431953222 [0,1,0,0,0,0|2,0,0]=3 259 B13R1.132 C/C(=C\C(=O)O)/C1=CC=C(C=C1)F Z352747294 [0,1,0,0,0,0|1,0,2]=4 260 B13R1.132 CC(=O)CC(=O)C1=CC=C(C=C1)Br Z56941083 [0,1,0,0,0,0|2,0,1]=4 261 B13R1.132 CC(=O)CC(=O)C1=CC=C(C=C1)C Z56941082 [0,1,0,0,0,0|1,0,1]=3 262 B13R1.132 CC(=O)CC(=O)C1=CC=C(C=C1)Cl Z56876401 [0,1,0,0,0,0|2,0,1]=4 263 B13R1.132 CC(=O)CC(=O)C1=CC=C(C=C1)F Z56911911 [0,1,0,0,0,0|2,0,1]=4 264 B13R1.132 CC(=O)NC(C)C1=CC=C(C=C1)Br Z28030902 [0,1,0,0,0,0|3,0,0]=4 265 B13R1.132 CC(CC(=O)O)C1=CC=C(C=C1)Br Z1269234118 [0,1,0,0,0,0|1,0,0]=2 266 B13R1.132 CC(CC(=O)O)C1=CC=C(C=C1)F Z352782250 [0,1,0,0,0,0|1,0,0]=2 267 B13R1.132 CC(CC(=O)O)C1=CC=C(C=C1)N Z1262514048 [0,1,0,0,0,0|1,0,0]=2 268 B13R1.132 CC1=CC=C(C=C1)C(C)CC(=O)O Z352782406 [0,1,0,0,0,0|0,0,0]=1 269 B13R1.132 CC1=CC=C(C=C1)C(N)CC(=O)O Z56912034 [0,1,0,0,0,0|0,0,0]=1 270 B13R1.132 CN(CC(=O)O)C1=NC=C(C=C1)Cl Z275027142 [0,1,0,0,0,0|3,0,0]=4 271 B13R1.132 NC(=O)C[C@@H](N)C1=CC=C(C=C1)Cl Z1346385388 [0,1,0,0,0,0|2,0,0]=3 272 B13R1.132 NC(=O)C[C@@H](N)C1=CC=C(C=C1)F Z1696091886 [0,1,0,0,0,0|2,0,0]=3 273 B13R1.132 NC(=O)C[C@H](N)C1=CC=C(C=C1)Cl Z756926884 [0,1,0,0,0,0|2,0,0]=3 274 B13R1.132 NC(=O)C[C@H](N)C1=CC=C(C=C1)F Z1696290104 [0,1,0,0,0,0|2,0,0]=3 275 B13R1.132 NC(CC(=O)O)C1=CC=C(C=C1)Br Z147647162 [0,1,0,0,0,0|1,0,0]=2 276 B13R1.132 NC(CC(=O)O)C1=CC=C(C=C1)Cl Z56899122 [0,1,0,0,0,0|1,0,0]=2 277 B13R1.132 NC(CC(=O)O)C1=CC=C(C=C1)F Z56921163 [0,1,0,0,0,0|1,0,0]=2 278 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(C=C1)Br Z1696824108 [0,1,0,0,0,0|1,0,0]=2 279 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(C=C1)F Z4935533100 [0,1,0,0,0,0|1,0,0]=2 280 B13R1.132 O=C(O)CC(O)C1=CC=C(C=C1)Cl Z982132070 [0,1,0,0,0,0|1,0,0]=2 281 B13R1.132 O=C(O)CC(O)C1=CC=C(C=C1)F Z982132094 [0,1,0,0,0,0|1,0,0]=2 282 B13R1.132 O=C(O)CS(=O)C1=CC=C(C=C1)Cl Z802568764 [0,1,0,0,0,0|2,0,0]=3 283 B13R1.133 C/C(=C\C1=CC=C(C=C1)F)/C(=O)O Z1350606414 [0,1,0,0,0,0|1,0,2]=4 284 B13R1.133 CC(CC1=CC=C(C=C1)Br)C(=O)N Z1551999220 [0,1,0,0,0,0|2,0,0]=3 285 B13R1.133 CC(CC1=CC=C(C=C1)Br)C(=O)O Z513659390 [0,1,0,0,0,0|1,0,0]=2 286 B13R1.133 CC(CC1=CC=C(C=C1)Cl)C(=O)O Z513659166 [0,1,0,0,0,0|1,0,0]=2 287 B13R1.133 CC(CC1=CC=C(C=C1)F)C(=O)O Z513658938 [0,1,0,0,0,0|1,0,0]=2 288 B13R1.133 CC(CC1=CC=C(C=C1)N)C(=O)O Z1262515083 [0,1,0,0,0,0|1,0,0]=2 289 B13R1.133 CC(OC1=CC=C(C=C1)Br)C(=O)O Z56347385 [0,1,0,0,0,0|2,0,0]=3 290 B13R1.133 CC(OC1=CC=C(C=C1)Cl)C(=O)N Z19727416 [0,1,0,0,0,0|3,0,0]=4 291 B13R1.133 CC(OC1=CC=C(C=C1)Cl)C(=O)O Z56922097 [0,1,0,0,0,0|2,0,0]=3 292 B13R1.133 CC(OC1=CC=C(C=C1)F)C(=O)O Z90662162 [0,1,0,0,0,0|2,0,0]=3 293 B13R1.133 CC(OC1=CC=C(C=C1)O)C(=O)N Z381414584 [0,1,0,0,0,0|3,0,0]=4 294 B13R1.133 CC(SC1=CC=C(C=C1)Br)C(=O)N Z18744282 [0,1,0,0,0,0|3,0,0]=4 295 B13R1.133 CC(SC1=CC=C(C=C1)Br)C(=O)O Z56278798 [0,1,0,0,0,0|2,0,0]=3 296 B13R1.133 CC(SC1=CC=C(C=C1)Cl)C(=O)O Z55179957 [0,1,0,0,0,0|2,0,0]=3 297 B13R1.133 CC(SC1=CC=C(C=C1)F)C(=O)N Z16034529 [0,1,0,0,0,0|3,0,0]=4 298 B13R1.133 CC(SC1=CC=C(C=C1)F)C(=O)O Z56279369 [0,1,0,0,0,0|2,0,0]=3 299 B13R1.133 CC1=CC=C(C=C1)CC(=O)C(=O)O Z271004544 [0,1,0,0,0,0|0,0,1]=2 300 B13R1.133 CC1=CC=C(C=C1)CC(C)C(=O)O Z513658700 [0,1,0,0,0,0|0,0,0]=1 301 B13R1.133 CC1=CC=C(C=C1)CN(C)C(=O)N Z198194138 [0,1,0,0,0,0|2,0,0]=3 302 B13R1.133 CC1=CC=C(C=C1)NC(=O)C(=O)O Z57984667 [0,1,0,0,0,0|1,0,1]=3 303 B13R1.133 CC1=CC=C(C=C1)OC(C)C(=O)O Z56915889 [0,1,0,0,0,0|1,0,0]=2 304 B13R1.133 CC1=CC=C(C=C1)SC(C)C(=O)N Z18769844 [0,1,0,0,0,0|2,0,0]=3 305 B13R1.133 CC1=CC=C(C=C1)SC(C)C(=O)O Z56278800 [0,1,0,0,0,0|1,0,0]=2 306 B13R1.133 C[C@H](OC1=CC=C(C=C1)Cl)C(=O)O Z1508916088 [0,1,0,0,0,0|2,0,0]=3 307 B13R1.133 NC(=O)C(N)CC1=CC=C(C=C1)Cl Z2065464318 [0,1,0,0,0,0|2,0,0]=3 308 B13R1.133 NC(=O)[C@H](N)CC1=CC=C(C=C1)O Z3211890270 [0,1,0,0,0,0|2,0,0]=3 309 B13R1.133 NC(CC1=CC=C(C=C1)Cl)C(=O)O Z317024982 [0,1,0,0,0,0|1,0,0]=2 310 B13R1.133 NC(CC1=CC=C(C=C1)F)C(=O)O Z57969728 [0,1,0,0,0,0|1,0,0]=2 311 B13R1.133 NC(CC1=CC=C(C=C1)I)C(=O)O Z1263631851 [0,1,0,0,0,0|1,0,0]=2 312 B13R1.133 NC(CC1=CC=C(C=C1)O)C(=O)O Z57127380 [0,1,0,0,0,0|1,0,0]=2 313 B13R1.133 NC(CC1=CN=C(C=C1)O)C(=O)O Z3543676837 [0,1,0,0,0,0|2,0,0]=3 314 B13R1.133 NC(CC1=NC=C(C=C1)Cl)C(=O)O Z3499018105 [0,1,0,0,0,0|2,0,0]=3 315 B13R1.133 N[C@@H](CC1=CC=C(C=C1)F)C(=O)O Z995228058 [0,1,0,0,0,0|1,0,0]=2 316 B13R1.133 N[C@@H](CC1=CC=C(C=C1)I)C(=O)O Z1269142887 [0,1,0,0,0,0|1,0,0]=2 317 B13R1.133 N[C@@H](CC1=CC=C(C=C1)O)C(=O)O Z756440046 [0,1,0,0,0,0|1,0,0]=2 318 B13R1.133 N[C@H](CC1=CC=C(C=C1)Cl)C(=O)O Z995228428 [0,1,0,0,0,0|1,0,0]=2 319 B13R1.133 N[C@H](CC1=CC=C(C=C1)F)C(=O)O Z995228438 [0,1,0,0,0,0|1,0,0]=2 320 B13R1.133 N[C@H](CC1=CC=C(C=C1)I)C(=O)O Z1269112635 [0,1,0,0,0,0|1,0,0]=2 321 B13R1.133 N[C@H](CC1=CC=C(C=C1)O)C(=O)O Z969739284 [0,1,0,0,0,0|1,0,0]=2 322 B13R1.133 O=C(O)C(=O)NC1=CC=C(C=C1)Cl Z90122505 [0,1,0,0,0,0|2,0,1]=4 323 B13R1.133 O=C(O)C(Br)CC1=CC=C(C=C1)F Z57388220 [0,1,0,0,0,0|1,0,0]=2 324 B13R1.133 O=C(O)C(O)CC1=CC=C(C=C1)F Z1255373692 [0,1,0,0,0,0|1,0,0]=2 325 B13R1.164 CC(=O)CCC1=C(C=C(C=C1)F)F Z963396602 [0,1,0,0,0,0|2,0,0]=3 326 B13R1.164 CC(=O)NCC1=C(C=C(C=C1)Br)C Z1173171921 [0,1,0,0,0,0|3,0,0]=4 327 B13R1.164 CC(=O)NCC1=C(C=C(C=C1)Br)Cl Z875712266 [0,1,0,0,0,0|3,0,0]=4 328 B13R1.164 CC1=C(C=CC(=C1)Br)NCC(=O)O Z359505880 [0,1,0,0,0,0|2,0,0]=3 329 B13R1.164 CC1=C(C=CC(=C1)Br)SCC(=O)O Z56790608 [0,1,0,0,0,0|2,0,0]=3 330 B13R1.164 CC1=C(C=CC(=C1)Cl)OCC(=O)N Z18757418 [0,1,0,0,0,0|3,0,0]=4 331 B13R1.164 CC1=C(C=CC(=C1)Cl)OCC(=O)O Z56824184 [0,1,0,0,0,0|2,0,0]=3 332 B13R1.164 CC1=C(C=CC(=C1)F)CCC(=O)O Z959351776 [0,1,0,0,0,0|1,0,0]=2 333 B13R1.164 CC1=CC(=C(C=C1)/C=C/C(=O)O)Br Z57033999 [0,1,0,0,0,0|0,0,2]=3 334 B13R1.164 CC1=CC(=C(C=C1)/C=C/C(=O)O)C Z2312274886 [0,1,0,0,0,0|0,0,2]=3 335 B13R1.164 CC1=CC(=C(C=C1)CCC(=O)N)C Z217351214 [0,1,0,0,0,0|1,0,0]=2 336 B13R1.164 CC1=CC(=C(C=C1)CCC(=O)O)Br Z1269174749 [0,1,0,0,0,0|0,0,0]=1 337 B13R1.164 CC1=CC(=C(C=C1)CCC(=O)O)C Z203050914 [0,1,0,0,0,0|0,0,0]=1 338 B13R1.164 CC1=CC(=C(C=C1)CNC(=O)N)C Z736932612 [0,1,0,0,0,0|2,0,0]=3 339 B13R1.164 CC1=CC(=C(C=C1)NCC(=O)N)Cl Z104753984 [0,1,0,0,0,0|2,0,0]=3 340 B13R1.164 CC1=CC(=C(C=C1)OCC(=O)N)Br Z18249661 [0,1,0,0,0,0|2,0,0]=3 341 B13R1.164 CC1=CC(=C(C=C1)OCC(=O)N)C Z17497975 [0,1,0,0,0,0|2,0,0]=3 342 B13R1.164 CC1=CC(=C(C=C1)OCC(=O)N)I Z1302477900 [0,1,0,0,0,0|2,0,0]=3 343 B13R1.164 CC1=CC(=C(C=C1)OCC(=O)O)Br Z57203202 [0,1,0,0,0,0|1,0,0]=2 344 B13R1.164 CC1=CC(=C(C=C1)OCC(=O)O)C Z57041994 [0,1,0,0,0,0|1,0,0]=2 345 B13R1.164 CC1=CC(=C(C=C1)SCC(=O)N)C Z25047836 [0,1,0,0,0,0|2,0,0]=3 346 B13R1.164 CC1=CC(=C(C=C1)SCC(=O)O)C Z55903769 [0,1,0,0,0,0|1,0,0]=2 347 B13R1.164 CC1=NC(=O)C(=CN1)CCC(=O)O Z3478357064 [0,1,0,0,0,0|2,0,0]=3 348 B13R1.164 NC(=O)CNC1=C(C=C(C=C1)Cl)F Z104829962 [0,1,0,0,0,0|3,0,0]=4 349 B13R1.164 NC(=O)COC1=C(C=C(C=C1)Br)Br Z19738663 [0,1,0,0,0,0|3,0,0]=4 350 B13R1.164 NC(=O)COC1=C(C=C(C=C1)Br)F Z25117855 [0,1,0,0,0,0|3,0,0]=4 351 B13R1.164 NC(=O)COC1=C(C=C(C=C1)Cl)Br Z25078285 [0,1,0,0,0,0|3,0,0]=4 352 B13R1.164 NC(=O)COC1=C(C=C(C=C1)Cl)Cl Z19743974 [0,1,0,0,0,0|3,0,0]=4 353 B13R1.164 NC(=O)COC1=C(C=C(C=C1)F)Br Z25081029 [0,1,0,0,0,0|3,0,0]=4 354 B13R1.164 NC(=O)CSC1=C(C=C(C=C1)F)F Z92456897 [0,1,0,0,0,0|3,0,0]=4 355 B13R1.164 NC(=O)NCC1=C(C=C(C=C1)Cl)F Z1744387876 [0,1,0,0,0,0|3,0,0]=4 356 B13R1.164 NC(=O)NCC1=C(C=C(C=C1)F)F Z933841108 [0,1,0,0,0,0|3,0,0]=4 357 B13R1.164 O=C(O)C#CC1=C(C=C(C=C1)F)F Z1143242500 [0,1,0,0,0,0|1,0,2]=4 358 B13R1.164 O=C(O)CCC1=C(C=C(C=C1)Br)F Z405046664 [0,1,0,0,0,0|1,0,0]=2 359 B13R1.164 O=C(O)CCC1=C(C=C(C=C1)Cl)Br Z1269115792 [0,1,0,0,0,0|1,0,0]=2 360 B13R1.164 O=C(O)CCC1=C(C=C(C=C1)Cl)Cl Z314668406 [0,1,0,0,0,0|1,0,0]=2 361 B13R1.164 O=C(O)CCC1=C(C=C(C=C1)Cl)F Z1269172595 [0,1,0,0,0,0|1,0,0]=2 362 B13R1.164 O=C(O)CCC1=C(C=C(C=C1)F)Br Z426022210 [0,1,0,0,0,0|1,0,0]=2 363 B13R1.164 O=C(O)CCC1=C(C=C(C=C1)F)Cl Z426022268 [0,1,0,0,0,0|1,0,0]=2 364 B13R1.164 O=C(O)CCC1=C(C=C(C=C1)F)F Z317037934 [0,1,0,0,0,0|1,0,0]=2 365 B13R1.164 O=C(O)COC1=C(C=C(C=C1)Br)Cl Z57050133 [0,1,0,0,0,0|2,0,0]=3 366 B13R1.164 O=C(O)COC1=C(C=C(C=C1)Br)F Z56923270 [0,1,0,0,0,0|2,0,0]=3 367 B13R1.164 O=C(O)COC1=C(C=C(C=C1)Cl)Br Z56924479 [0,1,0,0,0,0|2,0,0]=3 368 B13R1.164 O=C(O)COC1=C(C=C(C=C1)Cl)Cl Z56771026 [0,1,0,0,0,0|2,0,0]=3 369 B13R1.164 O=C(O)COC1=C(C=C(C=C1)Cl)F Z1416161884 [0,1,0,0,0,0|2,0,0]=3 370 B13R1.164 O=C(O)COC1=C(C=C(C=C1)F)Br Z56923211 [0,1,0,0,0,0|2,0,0]=3 371 B13R1.164 O=C(O)COC1=C(C=C(C=C1)F)Cl Z65572085 [0,1,0,0,0,0|2,0,0]=3 372 B13R1.164 O=C(O)COC1=C(C=C(C=C1)F)F Z239874904 [0,1,0,0,0,0|2,0,0]=3 373 B13R1.164 O=C(O)COC1=C(C=C(C=C1)I)Br Z5018658198 [0,1,0,0,0,0|2,0,0]=3 374 B13R1.164 O=C(O)CSC1=C(C=C(C=C1)Cl)Cl Z1269124447 [0,1,0,0,0,0|2,0,0]=3 375 B13R1.164 O=C(O)CSC1=C(C=C(C=C1)F)F Z92456882 [0,1,0,0,0,0|2,0,0]=3 376 B13R1.164 O=[N+]([O-])CCC1=C(C=C(C=C1)F)F Z3024469289 [0,1,0,0,0,0|2,0,1]=4 377 B13R1.511 CC(=O)CCC1=CC(=C(C=C1)Cl)Cl Z406376846 [0,1,0,0,0,0|2,0,0]=3 378 B13R1.511 CC(=O)CCC1=CC(=C(C=C1)F)F Z1021461268 [0,1,0,0,0,0|2,0,0]=3 379 B13R1.511 CC(=O)CCC1=CC(=C(C=C1)O)F Z1083021660 [0,1,0,0,0,0|2,0,0]=3 380 B13R1.511 CC(=O)COC1=CC(=C(C=C1)F)F Z427845606 [0,1,0,0,0,0|3,0,0]=4 381 B13R1.511 CC(=O)NCC1=CC(=C(C=C1)Cl)C Z1667602107 [0,1,0,0,0,0|3,0,0]=4 382 B13R1.511 CC(=O)NCC1=CC(=C(C=C1)F)C Z212644652 [0,1,0,0,0,0|3,0,0]=4 383 B13R1.511 CC1=C(C=C(C=C1)/C=C/C(=O)O)Cl Z2417572386 [0,1,0,0,0,0|0,0,2]=3 384 B13R1.511 CC1=C(C=C(C=C1)CCC(=O)O)C Z445853388 [0,1,0,0,0,0|0,0,0]=1 385 B13R1.511 CC1=C(C=C(C=C1)CCC(=O)O)Cl Z185153284 [0,1,0,0,0,0|0,0,0]=1 386 B13R1.511 CC1=C(C=C(C=C1)OCC(=O)N)C Z18468931 [0,1,0,0,0,0|2,0,0]=3 387 B13R1.511 CC1=C(C=C(C=C1)OCC(=O)O)C Z56820874 [0,1,0,0,0,0|1,0,0]=2 388 B13R1.511 CC1=C(C=C(C=C1)SCC(=N)N)C Z1259341021 [0,1,0,0,0,0|3,0,0]=4 389 B13R1.511 CC1=C(C=C(C=C1)SCC(=O)N)C Z24835957 [0,1,0,0,0,0|2,0,0]=3 390 B13R1.511 CC1=C(C=C(C=C1)SCC(=O)O)C Z55903758 [0,1,0,0,0,0|1,0,0]=2 391 B13R1.511 CC1=C(C=CC(=C1)/C=C/C(=O)O)Br Z1269121998 [0,1,0,0,0,0|1,0,2]=4 392 B13R1.511 CC1=C(C=CC(=C1)/C=C/C(=O)O)F Z2311791362 [0,1,0,0,0,0|1,0,2]=4 393 B13R1.511 CC1=C(C=CC(=C1)CCC(=O)N)Br Z1359984894 [0,1,0,0,0,0|2,0,0]=3 394 B13R1.511 CC1=C(C=CC(=C1)CCC(=O)O)Br Z1269176292 [0,1,0,0,0,0|1,0,0]=2 395 B13R1.511 CC1=C(C=CC(=C1)OCC(=O)N)Cl Z18758332 [0,1,0,0,0,0|3,0,0]=4 396 B13R1.511 CC1=C(C=CC(=C1)OCC(=O)N)N Z239127644 [0,1,0,0,0,0|3,0,0]=4 397 B13R1.511 CC1=C(C=CC(=C1)OCC(=O)O)Br Z57204188 [0,1,0,0,0,0|2,0,0]=3 398 B13R1.511 CC1=C(C=CC(=C1)OCC(=O)O)Cl Z56823032 [0,1,0,0,0,0|2,0,0]=3 399 B13R1.511 CC1=C(C=CC(=C1)OCC(=O)O)F Z1262524725 [0,1,0,0,0,0|2,0,0]=3 400 B13R1.511 NC(=O)CCC1=CC(=C(C=C1)F)F Z365255896 [0,1,0,0,0,0|2,0,0]=3 401 B13R1.511 NC(=O)COC1=CC(=C(C=C1)Cl)Cl Z18431658 [0,1,0,0,0,0|3,0,0]=4 402 B13R1.511 NC(=O)COC1=CC(=C(C=C1)F)Cl Z18430744 [0,1,0,0,0,0|3,0,0]=4 403 B13R1.511 NC(=O)NCC1=CC(=C(C=C1)F)Cl Z992427188 [0,1,0,0,0,0|3,0,0]=4 404 B13R1.511 NC(=O)NCC1=CC(=C(C=C1)I)Cl Z2007148452 [0,1,0,0,0,0|3,0,0]=4 405 B13R1.511 NC(=O)NCC1=CC(=C(C=C1)O)F Z1244088772 [0,1,0,0,0,0|3,0,0]=4 406 B13R1.511 O=C(O)/C=C/C1=CC(=C(C=C1)Br)Cl Z2942851660 [0,1,0,0,0,0|1,0,2]=4 407 B13R1.511 O=C(O)/C=C/C1=CC(=C(C=C1)Cl)Cl Z56895731 [0,1,0,0,0,0|1,0,2]=4 408 B13R1.511 O=C(O)/C=C/C1=CC(=C(C=C1)F)Cl Z2942852367 [0,1,0,0,0,0|1,0,2]=4 409 B13R1.511 O=C(O)/C=C/C1=CC(=C(C=C1)F)F Z2942853625 [0,1,0,0,0,0|1,0,2]=4 410 B13R1.511 O=C(O)/C=C/C1=CC(=C(C=C1)O)O Z240113804 [0,1,0,0,0,0|1,0,2]=4 411 B13R1.511 O=C(O)CCC1=CC(=C(C=C1)Br)Cl Z57039611 [0,1,0,0,0,0|1,0,0]=2 412 B13R1.511 O=C(O)CCC1=CC(=C(C=C1)Cl)Cl Z237515176 [0,1,0,0,0,0|1,0,0]=2 413 B13R1.511 O=C(O)CCC1=CC(=C(C=C1)Cl)F Z838969840 [0,1,0,0,0,0|1,0,0]=2 414 B13R1.511 O=C(O)CCC1=CC(=C(C=C1)O)Cl Z839165388 [0,1,0,0,0,0|1,0,0]=2 415 B13R1.511 O=C(O)COC1=CC(=C(C=C1)Cl)Cl Z65558737 [0,1,0,0,0,0|2,0,0]=3 416 B13R1.511 O=C(O)COC1=CC(=C(C=C1)Cl)F Z1486018170 [0,1,0,0,0,0|2,0,0]=3 417 B13R1.511 O=C(O)COC1=CC(=C(C=C1)F)Cl Z65577990 [0,1,0,0,0,0|2,0,0]=3 418 B13R1.511 O=C(O)COC1=CC(=C(C=C1)F)F Z228583518 [0,1,0,0,0,0|2,0,0]=3 419 B13R1.511 O=C(O)CSC1=CC(=C(C=C1)F)F Z92655191 [0,1,0,0,0,0|2,0,0]=3 420 B13R1.512 CC1=CC=C(C=C1)CCS(=O)(=O)N Z1255386626 [0,1,0,0,0,0|1,0,1]=3 421 B13R1.512 CS(=O)(=O)CCC1=CC=C(C=C1)N Z732208102 [0,1,0,0,0,0|2,0,1]=4 422 B13R1.512 NC1=CC=C(C=C1)CCS(=O)(=O)N Z56761663 [0,1,0,0,0,0|2,0,1]=4 423 B13R1.512 NS(=O)(=O)CCC1=CC=C(C=C1)Br Z1622956442 [0,1,0,0,0,0|2,0,1]=4 424 B13R1.512 NS(=O)(=O)CCC1=CC=C(C=C1)Cl Z1269139968 [0,1,0,0,0,0|2,0,1]=4 425 B13R2.147 CC1=CC=C(C=C1)C2CC(=O)N2 Z1238837490 [0,0,0,1,0,0|1,0,0]=2 426 B13R2.147 O=C1CC(C1)C2=CC=C(C=C2)Br Z385459408 [0,0,0,1,0,0|2,0,0]=3 427 B13R2.147 O=C1CC(C1)C2=CC=C(C=C2)F Z444338412 [0,0,0,1,0,0|2,0,0]=3 428 B13R2.147 O=C1CC(N1)C2=CC=C(C=C2)Br Z1238837631 [0,0,0,1,0,0|2,0,0]=3 429 B13R2.147 O=C1CC(N1)C2=CC=C(C=C2)Cl Z1198168152 [0,0,0,1,0,0|2,0,0]=3 430 B13R2.147 OC1CC(C1)C2=CC=C(C=C2)Br Z501748690 [0,0,0,1,0,0|2,0,1]=4 431 B13R2.155 CC1=CC2=C(C=C1)C=CC(=C2)O Z1198184356 [0,0,0,1,0,0|1,0,2]=4 432 B13R2.155 CC1=CC2=C(C=C1)C=CC(=N2)O Z3300711621 [0,0,0,1,0,0|1,0,2]=4 433 B13R2.155 CC1=CC2=C(C=C1)CCC(=O)N2 Z1255357756 [0,0,0,1,0,0|1,0,0]=2 434 B13R2.155 CC1=CC2=C(C=C1)NCC(O2)C Z1198339750 [0,0,0,1,0,0|2,0,1]=4 435 B13R2.155 CC1=CC2=C(N=C1)NCC(=O)N2 Z1198176105 [0,0,0,1,0,0|3,0,0]=4 436 B13R2.155 CC1=CC2=C(N=C1)OCC(=O)N2 Z1201628404 [0,0,0,1,0,0|3,0,0]=4 437 B13R2.155 CC1=NC2=C(C=C1)OCC(=O)N2 Z1198323667 [0,0,0,1,0,0|3,0,0]=4 438 B13R2.155 NC1=CC2=C(C=C1)OCC(=O)N2 Z147646768 [0,0,0,1,0,0|3,0,0]=4 439 B13R2.155 NC1=CC2=C(C=C1)SCC(=O)N2 Z57472207 [0,0,0,1,0,0|3,0,0]=4 440 B13R2.155 O=C1C=CC2=C(O1)C=C(C=C2)O Z57150899 [0,0,0,1,0,0|1,0,2]=4 441 B13R2.155 O=C1CC2=C(C=CC(=C2)Br)CN1 Z1813375979 [0,0,0,1,0,0|3,0,0]=4 442 B13R2.155 O=C1CCC2=C(N1)C=C(C=C2)Br Z1262475341 [0,0,0,1,0,0|2,0,0]=3 443 B13R2.155 O=C1CCC2=C(N1)C=C(C=C2)Cl Z1198183609 [0,0,0,1,0,0|2,0,0]=3 444 B13R2.155 O=C1CCC2=C(N1)C=C(C=C2)F Z285201176 [0,0,0,1,0,0|2,0,0]=3 445 B13R2.155 O=C1CCC2=C(N1)C=C(C=C2)O Z1255450792 [0,0,0,1,0,0|2,0,0]=3 446 B13R2.155 O=C1CNC2=C(N1)C=C(C=C2)F Z558637624 [0,0,0,1,0,0|3,0,0]=4 447 B13R2.155 O=C1COC2=C(C1)C=C(C=C2)Br Z1269182618 [0,0,0,1,0,0|3,0,0]=4 448 B13R2.155 O=C1COC2=C(N1)C=C(C=C2)Br Z227266368 [0,0,0,1,0,0|3,0,0]=4 449 B13R2.155 O=C1COC2=C(N1)C=C(C=C2)Cl Z57515847 [0,0,0,1,0,0|3,0,0]=4 450 B13R2.155 O=C1COC2=C(N1)C=C(C=C2)F Z1255450712 [0,0,0,1,0,0|3,0,0]=4 451 B13R2.155 O=C1COC2=C(N1)C=C(C=C2)O Z1255458499 [0,0,0,1,0,0|3,0,0]=4 452 B13R2.155 O=C1NCC2=C(O1)C=C(C=C2)Br Z2751295691 [0,0,0,1,0,0|2,0,0]=3 453 B13R2.155 O=C1NCC2=C(O1)C=C(C=C2)O Z2963142130 [0,0,0,1,0,0|2,0,0]=3 454 B13R2.155 OC1=CC2=C(C=C1)CCC(C2)O Z1513811314 [0,0,0,1,0,0|2,0,1]=4 455 B13R2.527 CC1=CC=C(C=C1)OCC2CO2 Z57046213 [0,0,0,1,0,0|2,0,1]=4 456 B13R2.3791 NC1=CC2=C(C=C1)CCS2(=O)=O Z426040990 [0,0,0,1,0,0|2,0,1]=4 457 B13R2.4930 CC1=CC2=C(C=C1)CC2C(=O)O Z2719072266 [0,0,0,1,0,0|0,0,0]=1 458 B13R2.4930 O=C(O)C1CC2=C1C=C(C=C2)Cl Z1262559583 [0,0,0,1,0,0|1,0,0]=2 459 B11R1.20 CC(=O)CC1=CC=C(C=C1)F Z329711590 [0,0,0,0,1,0|2,0,0]=3 460 B11R1.20 CC(=O)NC1=CC=C(C=C1)C Z28134680 [0,0,0,0,1,0|2,0,0]=3 461 B11R1.20 CC(=O)NC1=CC=C(C=C1)Cl Z28161730 [0,0,0,0,1,0|3,0,0]=4 462 B11R1.20 CC(=O)NC1=CC=C(C=C1)F Z27805821 [0,0,0,0,1,0|3,0,0]=4 463 B11R1.20 CC(=O)NC1=CC=C(C=C1)I Z30316374 [0,0,0,0,1,0|3,0,0]=4 464 B11R1.20 CC(=O)NC1=CC=C(C=C1)N Z56926521 [0,0,0,0,1,0|3,0,0]=4 465 B11R1.20 CC(=O)NC1=CC=C(C=C1)O Z56946051 [0,0,0,0,1,0|3,0,0]=4 466 B11R1.20 CC(=O)NC1=CC=C(C=C1)S Z104484984 [0,0,0,0,1,0|3,0,0]=4 467 B11R1.20 CC(=O)OC1=CC=C(C=C1)O Z1198155166 [0,0,0,0,1,0|3,0,0]=4 468 B11R1.20 CC1=CC=C(C=C1)CC(=N)N Z3244909870 [0,0,0,0,1,0|2,0,0]=3 469 B11R1.20 CC1=CC=C(C=C1)CC(=O)O Z104507548 [0,0,0,0,1,0|0,0,0]=1 470 B11R1.20 CC1=CC=C(C=C1)NC(=O)N Z56754677 [0,0,0,0,1,0|2,0,0]=3 471 B11R1.20 CC1=CC=C(C=C1)NC(=S)N Z57965505 [0,0,0,0,1,0|2,1,0]=4 472 B11R1.20 CC1=NC=C(C=C1)CC(=O)O Z424795892 [0,0,0,0,1,0|1,0,0]=2 473 B11R1.20 N=C(N)CC1=CC=C(C=C1)Br Z1518844582 [0,0,0,0,1,0|3,0,0]=4 474 B11R1.20 N=C(N)CC1=CC=C(C=C1)F Z415636754 [0,0,0,0,1,0|3,0,0]=4 475 B11R1.20 NC(=O)CC1=CC=C(C=C1)Br Z33546958 [0,0,0,0,1,0|2,0,0]=3 476 B11R1.20 NC(=O)CC1=CC=C(C=C1)Cl Z33546677 [0,0,0,0,1,0|2,0,0]=3 477 B11R1.20 NC(=O)CC1=CC=C(C=C1)F Z33546755 [0,0,0,0,1,0|2,0,0]=3 478 B11R1.20 NC(=O)CC1=CC=C(C=C1)N Z234895133 [0,0,0,0,1,0|2,0,0]=3 479 B11R1.20 NC(=O)NC1=CC=C(C=C1)Br Z89283357 [0,0,0,0,1,0|3,0,0]=4 480 B11R1.20 NC(=O)NC1=CC=C(C=C1)Cl Z56754682 [0,0,0,0,1,0|3,0,0]=4 481 B11R1.20 NC(=O)NC1=CC=C(C=C1)F Z166687094 [0,0,0,0,1,0|3,0,0]=4 482 B11R1.20 NC(=O)NC1=CC=C(C=C1)I Z56754684 [0,0,0,0,1,0|3,0,0]=4 483 B11R1.20 NC(=O)NC1=CC=C(C=C1)N Z239123648 [0,0,0,0,1,0|3,0,0]=4 484 B11R1.20 NC(=S)CC1=CC=C(C=C1)F Z285131734 [0,0,0,0,1,0|2,1,0]=4 485 B11R1.20 NC1=CC=C(C=C1)CC(=O)O Z104481066 [0,0,0,0,1,0|1,0,0]=2 486 B11R1.20 O=C(Cl)CC1=CC=C(C=C1)Cl Z217293314 [0,0,0,0,1,0|2,0,0]=3 487 B11R1.20 O=C(O)CC1=CC=C(C=C1)Br Z90121253 [0,0,0,0,1,0|1,0,0]=2 488 B11R1.20 O=C(O)CC1=CC=C(C=C1)Cl Z104477676 [0,0,0,0,1,0|1,0,0]=2 489 B11R1.20 O=C(O)CC1=CC=C(C=C1)F Z104477312 [0,0,0,0,1,0|1,0,0]=2 490 B11R1.20 O=C(O)CC1=CN=C(C=C1)Cl Z1165304038 [0,0,0,0,1,0|2,0,0]=3 491 B11R1.20 O=C(O)CC1=CNC(=O)C=C1 Z1198338224 [0,0,0,0,1,0|2,0,0]=3 492 B11R1.20 O=C(O)CC1=NC=C(C=C1)F Z1945984141 [0,0,0,0,1,0|2,0,0]=3 493 B11R1.75 CC(=O)CCC1=CC=C(S1)Cl Z406376898 [0,0,0,0,1,0|3,0,0]=4 494 B11R1.75 CC1=CC(=NO1)CCC(=O)O Z1216839860 [0,0,0,0,1,0|2,0,0]=3 495 B11R1.75 CC1=CC(=NO1)OCC(=O)O Z89264912 [0,0,0,0,1,0|3,0,0]=4 496 B11R1.75 CC1=CC=C(O1)/C=C/C(=O)O Z2942851432 [0,0,0,0,1,0|1,0,2]=4 497 B11R1.75 CC1=CC=C(O1)CCC(=O)O Z57248456 [0,0,0,0,1,0|1,0,0]=2 498 B11R1.75 CC1=CC=C(S1)/C=C/C(=O)O Z2942853021 [0,0,0,0,1,0|1,0,2]=4 499 B11R1.75 CC1=CC=C(S1)CCC(=O)O Z381359992 [0,0,0,0,1,0|1,0,0]=2 500 B11R1.75 CC1=CN(N=C1)CCC(=O)O Z275127962 [0,0,0,0,1,0|2,0,0]=3 501 B11R1.75 CC1=CNC(=N1)CCC(=O)O Z3181965688 [0,0,0,0,1,0|2,0,0]=3 502 B11R1.75 CC1=CSC(=N1)CCC(=O)O Z1198306714 [0,0,0,0,1,0|2,0,0]=3 503 B11R1.75 CC1=CSC(=N1)NCC(=O)O Z316100442 [0,0,0,0,1,0|3,0,0]=4 504 B11R1.75 CC1=NC(=CS1)CCC(=O)O Z1184876049 [0,0,0,0,1,0|2,0,0]=3 505 B11R1.75 CC1=NC=C(O1)CCC(=O)O Z1255392347 [0,0,0,0,1,0|2,0,0]=3 506 B11R1.75 CC1=NC=C(S1)CCC(=O)O Z1079166524 [0,0,0,0,1,0|2,0,0]=3 507 B11R1.75 CC1=NN=C(O1)CCC(=O)O Z600611092 [0,0,0,0,1,0|3,0,0]=4 508 B11R1.75 CC1=NNC(=C1)CCC(=O)O Z1251358529 [0,0,0,0,1,0|2,0,0]=3 509 B11R1.75 CC1=NOC(=C1)CCC(=O)O Z1216842852 [0,0,0,0,1,0|2,0,0]=3 510 B11R1.75 CC1=NOC(=N1)CCC(=O)O Z235340089 [0,0,0,0,1,0|3,0,0]=4 511 B11R1.75 CN1C=C(C=N1)CCC(=O)O Z335291662 [0,0,0,0,1,0|2,0,0]=3 512 B11R1.75 CN1C=C(C=N1)NCC(=O)O Z2146513181 [0,0,0,0,1,0|3,0,0]=4 513 B11R1.75 CN1C=C(C=N1)OCC(=O)O Z2009851246 [0,0,0,0,1,0|3,0,0]=4 514 B11R1.75 CN1C=C(N=N1)CCC(=O)O Z1262517728 [0,0,0,0,1,0|3,0,0]=4 515 B11R1.75 CN1C=CC(=C1)/C=C/C(=O)O Z2607872285 [0,0,0,0,1,0|1,0,2]=4 516 B11R1.75 CN1C=CC(=C1)CCC(=O)O Z1262521199 [0,0,0,0,1,0|1,0,0]=2 517 B11R1.75 CN1C=NC(=C1)CCC(=O)O Z3681634742 [0,0,0,0,1,0|2,0,0]=3 518 B11R1.75 CN1N=CC(=N1)CCC(=O)O Z2179938347 [0,0,0,0,1,0|3,0,0]=4 519 B11R1.75 NC(=O)CCC1=CC=C(S1)Cl Z458893400 [0,0,0,0,1,0|3,0,0]=4 520 B11R1.75 NC1=CN(N=C1)CCC(=O)O Z802829580 [0,0,0,0,1,0|3,0,0]=4 521 B11R1.75 NC1=NC(=CS1)CCC(=O)O Z1147235463 [0,0,0,0,1,0|3,0,0]=4 522 B11R1.75 NC1=NC=C(N1)CCC(=O)O Z3300728684 [0,0,0,0,1,0|3,0,0]=4 523 B11R1.75 NC1=NC=C(S1)CCC(=O)O Z1154248781 [0,0,0,0,1,0|3,0,0]=4 524 B11R1.75 O=C(O)CCC1=CC(=CS1)Br Z381359988 [0,0,0,0,1,0|2,0,0]=3 525 B11R1.75 O=C(O)CCC1=CC(=CS1)Cl Z234898661 [0,0,0,0,1,0|2,0,0]=3 526 B11R1.75 O=C(O)CCC1=CC=C(S1)Cl Z381359990 [0,0,0,0,1,0|2,0,0]=3 527 B11R1.75 O=C(O)CCC1=CNC(=N1)S Z3235142381 [0,0,0,0,1,0|3,0,0]=4 528 B11R1.75 O=C(O)CCC1=CNC(=O)N1 Z1262517531 [0,0,0,0,1,0|3,0,0]=4 529 B11R1.75 O=C(O)CCN1C=C(C=N1)Br Z608353718 [0,0,0,0,1,0|3,0,0]=4 530 B11R1.75 O=C(O)CCN1C=C(C=N1)Cl Z625454300 [0,0,0,0,1,0|3,0,0]=4 531 B13R1.513 CC1=CC=C(C=C1)/C=C/CC(=O)O Z1374884612 [0,0,0,0,0,1|0,0,1]=2 532 B13R1.513 CC1=CC=C(C=C1)CCCC(=O)O Z336127890 [0,0,0,0,0,1|0,0,0]=1 533 B13R1.513 CC1=CC=C(C=C1)CNCC(=O)O Z359506420 [0,0,0,0,0,1|0,0,0]=1 534 B13R1.513 CC1=CC=C(C=C1)COCC(=O)O Z2630879936 [0,0,0,0,0,1|0,0,0]=1 535 B13R1.513 CC1=CC=C(C=C1)CSCC(=O)N Z33545794 [0,0,0,0,0,1|1,0,0]=2 536 B13R1.513 CC1=CC=C(C=C1)CSCC(=O)O Z19691181 [0,0,0,0,0,1|0,0,0]=1 537 B13R1.513 CC1=CC=C(C=C1)NCCC(=O)O Z56886521 [0,0,0,0,0,1|0,0,0]=1 538 B13R1.513 CC1=CC=C(C=C1)NCCC(=S)N Z362840678 [0,0,0,0,0,1|1,1,0]=3 539 B13R1.513 CC1=CC=C(C=C1)OCCC(=O)N Z33545286 [0,0,0,0,0,1|1,0,0]=2 540 B13R1.513 CC1=CC=C(C=C1)OCCC(=O)O Z56805738 [0,0,0,0,0,1|0,0,0]=1 541 B13R1.513 CC1=CC=C(C=C1)SCCC(=O)O Z56813260 [0,0,0,0,0,1|0,0,0]=1 542 B13R1.513 CC1=CN=C(C=C1)NCCC(=O)O Z295404834 [0,0,0,0,0,1|1,0,0]=2 543 B13R1.513 N=C(N)SCCC1=CC=C(C=C1)Cl Z2237698506 [0,0,0,0,0,1|3,0,0]=4 544 B13R1.513 NC(=O)CCNC1=CC=C(C=C1)F Z155153962 [0,0,0,0,0,1|2,0,0]=3 545 B13R1.513 NC(=O)CCNC1=CC=C(C=C1)N Z1263714152 [0,0,0,0,0,1|2,0,0]=3 546 B13R1.513 NC(=O)CCOC1=CC=C(C=C1)N Z382711140 [0,0,0,0,0,1|2,0,0]=3 547 B13R1.513 NC(=O)CCSC1=CC=C(C=C1)Cl Z33545287 [0,0,0,0,0,1|2,0,0]=3 548 B13R1.513 NC(=O)CCSC1=CC=C(C=C1)F Z33545610 [0,0,0,0,0,1|2,0,0]=3 549 B13R1.513 NC(=O)CNCC1=CC=C(C=C1)Br Z90608485 [0,0,0,0,0,1|2,0,0]=3 550 B13R1.513 NC(=O)CSCC1=CC=C(C=C1)Br Z19854475 [0,0,0,0,0,1|2,0,0]=3 551 B13R1.513 NC(=O)CSCC1=CC=C(C=C1)Cl Z18433099 [0,0,0,0,0,1|2,0,0]=3 552 B13R1.513 NC1=CC=C(C=C1)CCCC(=O)O Z336079594 [0,0,0,0,0,1|1,0,0]=2 553 B13R1.513 NC1=CC=C(C=C1)OCCC(=O)O Z1259335771 [0,0,0,0,0,1|1,0,0]=2 554 B13R1.513 O=C(O)C/C=C/C1=CC=C(C=C1)Br Z2939850891 [0,0,0,0,0,1|1,0,1]=3 555 B13R1.513 O=C(O)CCCC1=CC=C(C=C1)Br Z336286028 [0,0,0,0,0,1|1,0,0]=2 556 B13R1.513 O=C(O)CCCC1=CC=C(C=C1)Cl Z336286026 [0,0,0,0,0,1|1,0,0]=2 557 B13R1.513 O=C(O)CCCC1=CC=C(C=C1)F Z336285992 [0,0,0,0,0,1|1,0,0]=2 558 B13R1.513 O=C(O)CCCC1=CC=C(C=C1)O Z1201617656 [0,0,0,0,0,1|1,0,0]=2 559 B13R1.513 O=C(O)CCCC1=NN=C(C=C1)Cl Z1416161900 [0,0,0,0,0,1|3,0,0]=4 560 B13R1.513 O=C(O)CCOC1=CC=C(C=C1)Br Z240085156 [0,0,0,0,0,1|1,0,0]=2 561 B13R1.513 O=C(O)CCOC1=CC=C(C=C1)Cl Z57229608 [0,0,0,0,0,1|1,0,0]=2 562 B13R1.513 O=C(O)CCOC1=CC=C(C=C1)F Z240085178 [0,0,0,0,0,1|1,0,0]=2 563 B13R1.513 O=C(O)CCSC1=CC=C(C=C1)Br Z102925164 [0,0,0,0,0,1|1,0,0]=2 564 B13R1.513 O=C(O)CCSC1=CC=C(C=C1)Cl Z56812813 [0,0,0,0,0,1|1,0,0]=2 565 B13R1.513 O=C(O)CCSC1=CC=C(C=C1)F Z90123554 [0,0,0,0,0,1|1,0,0]=2 566 B13R1.513 O=C(O)CNCC1=CC=C(C=C1)Cl Z1259339984 [0,0,0,0,0,1|1,0,0]=2 567 B13R1.513 O=C(O)CNCC1=CC=C(C=C1)F Z818727022 [0,0,0,0,0,1|1,0,0]=2 568 B13R1.513 O=C(O)CSCC1=CC=C(C=C1)Br Z19691780 [0,0,0,0,0,1|1,0,0]=2 569 B13R1.513 O=C(O)CSCC1=CC=C(C=C1)Cl Z19691775 [0,0,0,0,0,1|1,0,0]=2 570 B13R1.513 O=C(O)CSCC1=CC=C(C=C1)F Z19691787 [0,0,0,0,0,1|1,0,0]=2 571 B10R1.1 CC1=CC=C(C=C1)/C=N/O Z49568558 [2,0,0,0,0,0|1,0,1]=4 572 B10R1.1 CC1=CC=C(C=C1)CC#N Z285131444 [2,0,0,0,0,0|1,0,1]=4 573 B10R1.1 CC1=CC=C(C=C1)CC=O Z993017610 [2,0,0,0,0,0|0,0,0]=2 574 B10R1.1 CC1=CC=C(C=C1)CCN Z1268153218 [2,0,0,0,0,0|1,0,0]=3 575 B10R1.1 CC1=CC=C(C=C1)CCO Z397587076 [2,0,0,0,0,0|0,0,0]=2 576 B10R1.1 CC1=NC=C(C=C1)CCN Z600584220 [2,0,0,0,0,0|2,0,0]=4 577 B10R1.1 CC1=NC=C(N=C1)CCO Z1504684184 [2,0,0,0,0,0|2,0,0]=4 578 B10R1.1 CCCC1=CC=C(C=C1)Br Z299596168 [2,0,0,0,0,0|1,0,1]=4 579 B10R1.1 CCCC1=CC=C(C=C1)N Z104492166 [2,0,0,0,0,0|1,0,1]=4 580 B10R1.1 CCOC1=CC=C(C=C1)C Z53834228 [2,0,0,0,0,0|1,0,1]=4 581 B10R1.1 CNCC1=CC=C(C=C1)C Z56944115 [2,0,0,0,0,0|1,0,1]=4 582 B10R1.1 NC1=CC=C(C=C1)CCO Z276600190 [2,0,0,0,0,0|1,0,0]=3 583 B10R1.1 NC1=CN=C(C=C1)CCO Z1898597735 [2,0,0,0,0,0|2,0,0]=4 584 B10R1.1 NCCC1=CC=C(C=C1)Br Z285143750 [2,0,0,0,0,0|2,0,0]=4 585 B10R1.1 NCCC1=CC=C(C=C1)Cl Z57051065 [2,0,0,0,0,0|2,0,0]=4 586 B10R1.1 NCCC1=CC=C(C=C1)F Z90122126 [2,0,0,0,0,0|2,0,0]=4 587 B10R1.1 NCCC1=CC=C(C=C1)I Z2515133713 [2,0,0,0,0,0|2,0,0]=4 588 B10R1.1 NCCC1=CC=C(C=C1)O Z744729058 [2,0,0,0,0,0|2,0,0]=4 589 B10R1.1 O=CCC1=CC=C(C=C1)Br Z1079442512 [2,0,0,0,0,0|1,0,0]=3 590 B10R1.1 O=CCC1=CC=C(C=C1)Cl Z993017718 [2,0,0,0,0,0|1,0,0]=3 591 B10R1.1 O=CCC1=CC=C(C=C1)F Z993017752 [2,0,0,0,0,0|1,0,0]=3 592 B10R1.1 O=CNC1=CC=C(C=C1)O Z87002541 [2,0,0,0,0,0|2,0,0]=4 593 B10R1.1 OCCC1=CC=C(C=C1)Br Z397587340 [2,0,0,0,0,0|1,0,0]=3 594 B10R1.1 OCCC1=CC=C(C=C1)F Z397587326 [2,0,0,0,0,0|1,0,0]=3 595 B10R1.1 OCCC1=CC=C(C=C1)O Z1250886919 [2,0,0,0,0,0|1,0,0]=3 596 B10R1.17 CCCCC1=CC=CC=C1 Z104492496 [2,0,0,0,0,0|1,0,1]=4 597 B10R1.17 CNCCC1=CC=CC=C1 Z445226260 [2,0,0,0,0,0|2,0,0]=4 598 B10R1.17 COCCC1=CC=CC=C1 Z104494216 [2,0,0,0,0,0|2,0,0]=4 599 B10R1.17 N#CCCC1=CC=CC=C1 Z104507980 [2,0,0,0,0,0|1,0,1]=4 600 B10R1.17 NCCCC1=CC=CC=C1 Z104478312 [2,0,0,0,0,0|1,0,1]=4 601 B10R1.17 NNCCC1=CC=CC=C1 Z927192062 [2,0,0,0,0,0|2,0,0]=4 602 B10R1.17 O=C/C=C/C1=CC=CC=C1 Z3219847383 [2,0,0,0,0,0|0,0,2]=4 603 B10R1.17 O=CC#CC1=CC=CC=C1 Z1255485337 [2,0,0,0,0,0|0,0,2]=4 604 B10R1.17 O=CCCC1=CC=CC=C1 Z87002472 [2,0,0,0,0,0|0,0,0]=2 605 B10R1.17 O=CCCC1=CC=NC=C1 Z1070006438 [2,0,0,0,0,0|1,0,0]=3 606 B10R1.17 O=CCCC1=CN=CC=C1 Z1198276578 [2,0,0,0,0,0|1,0,0]=3 607 B10R1.17 O=CCCC1=NC=CC=C1 Z1079158816 [2,0,0,0,0,0|1,0,0]=3 608 B10R1.17 O=CCOC1=CC=CC=C1 Z854102570 [2,0,0,0,0,0|1,0,0]=3 609 B10R1.17 O=CCOC1=NC=CC=C1 Z1255434510 [2,0,0,0,0,0|2,0,0]=4 610 B10R1.17 O=CNCC1=CC=CC=C1 Z1203730748 [2,0,0,0,0,0|1,0,0]=3 611 B10R1.17 O=CNNC1=CC=CC=C1 Z1198148433 [2,0,0,0,0,0|2,0,0]=4 612 B10R1.17 OCCCC1=CC=CC=C1 Z104476660 [2,0,0,0,0,0|0,0,1]=3 613 B10R1.17 OCCCC1=CC=NC=C1 Z104475752 [2,0,0,0,0,0|1,0,1]=4 614 B10R1.17 OCCCC1=CN=CC=C1 Z104479004 [2,0,0,0,0,0|1,0,1]=4 615 B10R1.17 OCCOC1=CC=CC=C1 Z104473570 [2,0,0,0,0,0|1,0,1]=4 616 B10R1.17 OCCSC1=CC=CC=C1 Z149157348 [2,0,0,0,0,0|1,0,1]=4 617 B12R1.1 C#CCNCC1=CC=C(C=C1)C Z857666950 [1,1,0,0,0,0|1,0,1]=4 618 B12R1.1 CC1=CC=C(C=C1)CNCCO Z57328136 [1,1,0,0,0,0|0,0,1]=3 619 B12R1.1 CC1=CC=C(C=C1)NCCC#N Z56887629 [1,1,0,0,0,0|1,0,1]=4 620 B12R1.1 CC1=CC=C(C=C1)OCCC#N Z54337098 [1,1,0,0,0,0|1,0,1]=4 621 B12R1.1 CC1=CC=C(C=C1)OCCCN Z285166764 [1,1,0,0,0,0|1,0,1]=4 622 B12R1.1 CC1=CC=C(C=C1)SCCC#N Z54555980 [1,1,0,0,0,0|1,0,1]=4 623 B12R1.1 CNCCOC1=CC=C(C=C1)C Z138105388 [1,1,0,0,0,0|2,0,0]=4 624 B12R1.1 NC1=CC=C(C=C1)CCCCO Z1262622677 [1,1,0,0,0,0|1,0,1]=4 625 B12R1.1 NC1=CC=C(C=C1)COCCO Z332379572 [1,1,0,0,0,0|1,0,1]=4 626 B12R1.1 NC1=CC=C(C=C1)OCCCO Z382707186 [1,1,0,0,0,0|1,0,1]=4 627 B12R1.1 NC1=CC=C(C=C1)SCCCO Z412012390 [1,1,0,0,0,0|1,0,1]=4 628 B12R1.1 OCCCNC1=CC=C(C=C1)Cl Z104647680 [1,1,0,0,0,0|1,0,1]=4 629 B12R1.1 OCCCOC1=CC=C(C=C1)Br Z425795726 [1,1,0,0,0,0|1,0,1]=4 630 B12R1.1 OCCCOC1=CC=C(C=C1)F Z228585902 [1,1,0,0,0,0|1,0,1]=4 631 B12R1.1 OCCNCC1=CC=C(C=C1)F Z3225797537 [1,1,0,0,0,0|1,0,1]=4 632 B12R1.16 NC(CCO)C1=CC=C(C=C1)Br Z979743656 [1,1,0,0,0,0|1,0,1]=4 633 B12R1.16 NC(CCO)C1=CC=C(C=C1)F Z979743658 [1,1,0,0,0,0|1,0,1]=4 634 B12R1.49 CC1=CC=C(C=C1)CC(=O)NO Z90728587 [1,1,0,0,0,0|1,0,1]=4 635 B12R1.49 CC1=CC=C(C=C1)CC(Br)C#N Z85923462 [1,1,0,0,0,0|1,0,1]=4 636 B12R1.49 CC1=CC=C(C=C1)CC(Cl)C=O Z982126370 [1,1,0,0,0,0|0,0,0]=2 637 B12R1.49 CC1=CC=C(C=C1)CC(N)CO Z1800620539 [1,1,0,0,0,0|0,0,1]=3 638 B12R1.49 CCC(N)CC1=CC=C(C=C1)C Z431980102 [1,1,0,0,0,0|1,0,1]=4 639 B12R1.49 CCC(O)CC1=CC=C(C=C1)C Z513751166 [1,1,0,0,0,0|1,0,1]=4 640 B12R1.49 NC(CO)CC1=CC=C(C=C1)Cl Z3244488892 [1,1,0,0,0,0|1,0,1]=4 641 B12R1.49 NC(CO)CC1=CC=C(C=C1)F Z1849004242 [1,1,0,0,0,0|1,0,1]=4 642 B12R1.49 NC(CO)CC1=CC=C(C=C1)I Z1263636488 [1,1,0,0,0,0|1,0,1]=4 643 B12R1.49 NC1=CC=C(C=C1)CC(F)CO Z4580450313 [1,1,0,0,0,0|1,0,1]=4 644 B12R1.49 N[C@@H](CO)CC1=CC=C(C=C1)O Z295456854 [1,1,0,0,0,0|1,0,1]=4 645 B12R1.49 N[C@H](CO)CC1=CC=C(C=C1)O Z203038576 [1,1,0,0,0,0|1,0,1]=4 646 B12R1.69 CC1=CC(=C(C=C1)CCCN)C Z90666959 [1,1,0,0,0,0|1,0,1]=4 647 B12R1.69 O=CCCC1=C(C=C(C=C1)Cl)Cl Z993017674 [1,1,0,0,0,0|1,0,0]=3 648 B12R1.69 O=CCCC1=C(C=C(C=C1)F)F Z993017790 [1,1,0,0,0,0|1,0,0]=3 649 B12R1.71 C=CCOC1=CC=C(C=C1)CO Z54636167 [1,1,0,0,0,0|2,0,0]=4 650 B12R1.71 CCC1=CC=C(C=C1)CCC=O Z993017820 [1,1,0,0,0,0|0,0,0]=2 651 B12R1.71 CCCCC1=CC=C(C=C1)NC Z1331041631 [1,1,0,0,0,0|1,0,1]=4 652 B12R1.71 COC1=CC=C(C=C1)CCC=O Z1079442590 [1,1,0,0,0,0|0,0,0]=2 653 B12R1.71 COC1=CC=C(C=C1)CCCN Z291234224 [1,1,0,0,0,0|1,0,1]=4 654 B12R1.71 COC1=CC=C(C=C1)CCNN Z2327071096 [1,1,0,0,0,0|2,0,0]=4 655 B12R1.71 COC1=CC=C(C=C1)SCC=O Z854102788 [1,1,0,0,0,0|1,0,0]=3 656 B12R1.71 COCCC1=CC=C(C=C1)CO Z385370424 [1,1,0,0,0,0|2,0,0]=4 657 B12R1.71 N#CC1=CC=C(C=C1)CCC=O Z1198182710 [1,1,0,0,0,0|0,0,1]=3 658 B12R1.71 NCC1=CC=C(C=C1)OCCO Z1891774500 [1,1,0,0,0,0|1,0,1]=4 659 B12R1.71 NCC1=CC=C(C=C1)SCCO Z4457865489 [1,1,0,0,0,0|1,0,1]=4 660 B12R1.385 CC1=C(C=C(C=C1)SCCO)C Z149235456 [1,1,0,0,0,0|1,0,1]=4 661 B12R1.385 CCCCC1=CC(=C(C=C1)C)N Z1262626215 [1,1,0,0,0,0|1,0,1]=4 662 B12R1.385 O=CCCC1=CC(=C(C=C1)Cl)Cl Z993017630 [1,1,0,0,0,0|1,0,0]=3 663 B12R1.385 O=CCCC1=CC(=C(C=C1)Cl)F Z1198182696 [1,1,0,0,0,0|1,0,0]=3 664 B12R1.385 O=CCCC1=CC(=C(C=C1)F)F Z1198182685 [1,1,0,0,0,0|1,0,0]=3 665 B12R1.385 OCCCC1=CC(=C(C=C1)Cl)Cl Z993012522 [1,1,0,0,0,0|1,0,1]=4 666 B12R1.27 C#CC(=O)CCC1=CC=CC=C1 Z1266856412 [1,1,0,0,0,0|1,0,0]=3 667 B12R1.27 C#CC(=O)NCC1=CC=CC=C1 Z1509142729 [1,1,0,0,0,0|2,0,0]=4 668 B12R1.27 C#CC(=O)OCC1=CC=CC=C1 Z1255365960 [1,1,0,0,0,0|2,0,0]=4 669 B12R1.27 C=C(C=O)OCC1=CC=CC=C1 Z1198183530 [1,1,0,0,0,0|2,0,0]=4 670 B12R1.27 C=CC(=O)NCC1=CC=CC=C1 Z56757233 [1,1,0,0,0,0|2,0,0]=4 671 B12R1.27 CC(C=O)CCC1=CC=CC=C1 Z1238838034 [1,1,0,0,0,0|1,0,1]=4 672 B12R1.27 CN(CCC1=CC=CC=C1)N=O Z3965372830 [1,1,0,0,0,0|2,0,0]=4 673 B12R1.27 CNC(=O)CCC1=CC=CC=C1 Z32016418 [1,1,0,0,0,0|1,0,0]=3 674 B12R1.27 CNC(=O)COC1=CC=CC=C1 Z19735428 [1,1,0,0,0,0|2,0,0]=4 675 B12R1.27 CNC(=O)CSC1=CC=CC=C1 Z19750829 [1,1,0,0,0,0|2,0,0]=4 676 B12R1.27 CNC(=O)OCC1=CC=CC=C1 Z32016983 [1,1,0,0,0,0|2,0,0]=4 677 B12R1.27 COC(=O)/C=C/C1=CC=CC=C1 Z19782655 [1,1,0,0,0,0|0,0,2]=4 678 B12R1.27 COC(=O)CCC1=CC=CC=C1 Z18264384 [1,1,0,0,0,0|0,0,0]=2 679 B12R1.27 COC(=O)CCC1=CC=NC=C1 Z1198171999 [1,1,0,0,0,0|1,0,0]=3 680 B12R1.27 COC(=O)CCC1=CN=CC=C1 Z1069406844 [1,1,0,0,0,0|1,0,0]=3 681 B12R1.27 COC(=O)CCC1=CN=CN=C1 Z1551943962 [1,1,0,0,0,0|2,0,0]=4 682 B12R1.27 COC(=O)CNC1=CC=CC=C1 Z1250132387 [1,1,0,0,0,0|1,0,0]=3 683 B12R1.27 COC(=O)NNC1=CC=CC=C1 Z56755853 [1,1,0,0,0,0|2,0,0]=4 684 B12R1.27 N/C(=N\O)/CCC1=CC=CC=C1 Z285132818 [1,1,0,0,0,0|1,0,0]=3 685 B12R1.27 N/C(=N\O)/COC1=CC=CC=C1 Z104341168 [1,1,0,0,0,0|2,0,0]=4 686 B12R1.27 NCC(=O)CCC1=CC=CC=C1 Z3719299469 [1,1,0,0,0,0|1,0,0]=3 687 B12R1.27 NCC(=O)NCC1=CC=CC=C1 Z398557160 [1,1,0,0,0,0|2,0,0]=4 688 B12R1.27 NCC(=O)OCC1=CC=CC=C1 Z56904671 [1,1,0,0,0,0|2,0,0]=4 689 B12R1.27 NNC(=O)CNC1=CC=CC=C1 Z56886393 [1,1,0,0,0,0|2,0,0]=4 690 B12R1.27 O=C(CCl)CCC1=CC=CC=C1 Z1255432257 [1,1,0,0,0,0|1,0,0]=3 691 B12R1.27 O=C(CCl)COC1=CC=CC=C1 Z1255416714 [1,1,0,0,0,0|2,0,0]=4 692 B12R1.27 O=C(CCl)NCC1=CC=CC=C1 Z56896328 [1,1,0,0,0,0|2,0,0]=4 693 B12R1.27 O=C(CO)NCC1=CC=CC=C1 Z228585446 [1,1,0,0,0,0|1,0,0]=3 694 B12R1.43 C/C(=C\C1=CC=CC=C1)/C(=O)O Z2980228149 [1,1,0,0,0,0|0,0,2]=4 695 B12R1.43 CC(=O)C(N)CC1=CC=CC=C1 Z90124995 [1,1,0,0,0,0|1,0,0]=3 696 B12R1.43 CC(CC1=CC=CC=C1)C(=O)O Z513624710 [1,1,0,0,0,0|0,0,0]=2 697 B12R1.43 CC(CC1=CC=NC=C1)C(=O)O Z3477804988 [1,1,0,0,0,0|1,0,0]=3 698 B12R1.43 CC(NC1=CC=CC=C1)C(=O)O Z57982184 [1,1,0,0,0,0|1,0,0]=3 699 B12R1.43 CC(OC1=CC=CC=C1)C(=O)O Z57825333 [1,1,0,0,0,0|1,0,0]=3 700 B12R1.43 CC(OC1=CN=CC=C1)C(=O)O Z336080820 [1,1,0,0,0,0|2,0,0]=4 701 B12R1.43 CC(OC1=NC=CC=C1)C(=O)O Z360507460 [1,1,0,0,0,0|2,0,0]=4 702 B12R1.43 CC(SC1=CC=CC=C1)C(=O)N Z19751098 [1,1,0,0,0,0|2,0,0]=4 703 B12R1.43 CC(SC1=CC=CC=C1)C(=O)O Z90122656 [1,1,0,0,0,0|1,0,0]=3 704 B12R1.43 CC(SC1=NC=CC=C1)C(=O)O Z31250551 [1,1,0,0,0,0|2,0,0]=4 705 B12R1.43 CN(CC1=CC=CC=C1)C(=O)N Z198194348 [1,1,0,0,0,0|2,0,0]=4 706 B12R1.43 C[C@@H](CC1=CC=CC=C1)C(=O)O Z1262510261 [1,1,0,0,0,0|0,0,0]=2 707 B12R1.43 NC(=O)C(N)CC1=CC=CC=C1 Z317075516 [1,1,0,0,0,0|1,0,0]=3 708 B12R1.43 NC(=O)C(N)CC1=NC=CC=C1 Z4981909244 [1,1,0,0,0,0|2,0,0]=4 709 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 Z760046820 [1,1,0,0,0,0|1,0,0]=3 710 B12R1.43 NC(=O)[C@H](N)CC1=CC=CC=C1 Z933616656 [1,1,0,0,0,0|1,0,0]=3 711 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O Z57127433 [1,1,0,0,0,0|0,0,0]=2 712 B12R1.43 NC(CC1=CC=NC=C1)C(=O)O Z1675026076 [1,1,0,0,0,0|1,0,0]=3 713 B12R1.43 NC(CC1=CN=CC=C1)C(=O)O Z3235906342 [1,1,0,0,0,0|1,0,0]=3 714 B12R1.43 NC(CC1=CN=CN=C1)C(=O)O Z3697694105 [1,1,0,0,0,0|2,0,0]=4 715 B12R1.43 NC(CC1=NC=CC=C1)C(=O)O Z3235025558 [1,1,0,0,0,0|1,0,0]=3 716 B12R1.43 NC(CC1=NC=CC=N1)C(=O)O Z2432992279 [1,1,0,0,0,0|2,0,0]=4 717 B12R1.43 NC(CC1=NC=NC=C1)C(=O)O Z2470415568 [1,1,0,0,0,0|2,0,0]=4 718 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O Z756430566 [1,1,0,0,0,0|0,0,0]=2 719 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O Z933646062 [1,1,0,0,0,0|0,0,0]=2 720 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 Z285151774 [1,1,0,0,0,0|0,0,1]=3 721 B12R1.43 O=C(O)C(=O)NC1=CC=CC=C1 Z362848468 [1,1,0,0,0,0|1,0,1]=4 722 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 Z788000648 [1,1,0,0,0,0|0,0,0]=2 723 B12R1.43 O=C(O)C(O)CC1=NC=CC=C1 Z3486862716 [1,1,0,0,0,0|1,0,0]=3 724 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 Z1255386695 [1,1,0,0,0,0|0,0,0]=2 725 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 Z1255364914 [1,1,0,0,0,0|0,0,0]=2 726 B12R1.107 C/C(=C\C(=O)O)/C1=CC=CC=C1 Z352748396 [1,1,0,0,0,0|0,0,2]=4 727 B12R1.107 C=C(C)CC(N)C1=CC=CC=C1 Z4497189696 [1,1,0,0,0,0|2,0,0]=4 728 B12R1.107 CC(CC(=O)N)C1=CC=CC=C1 Z33546734 [1,1,0,0,0,0|1,0,0]=3 729 B12R1.107 CC(CC(=O)O)C1=CC=CC=C1 Z56899204 [1,1,0,0,0,0|0,0,0]=2 730 B12R1.107 CC(CC(=O)O)C1=CC=NC=C1 Z352782496 [1,1,0,0,0,0|1,0,0]=3 731 B12R1.107 CC(NC(=O)N)C1=CC=CC=C1 Z198194342 [1,1,0,0,0,0|2,0,0]=4 732 B12R1.107 CN(CC(=O)N)C1=CC=CC=C1 Z54747686 [1,1,0,0,0,0|2,0,0]=4 733 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 Z1162448842 [1,1,0,0,0,0|1,0,0]=3 734 B12R1.107 CN(CC(=O)O)C1=CC=NC=C1 Z317257814 [1,1,0,0,0,0|2,0,0]=4 735 B12R1.107 CS(=O)CC(N)C1=CC=CC=C1 Z1238793494 [1,1,0,0,0,0|2,0,0]=4 736 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 Z94601171 [1,1,0,0,0,0|0,0,0]=2 737 B12R1.107 NC(CC(=O)O)C1=CC=NC=C1 Z317027344 [1,1,0,0,0,0|1,0,0]=3 738 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 Z756925772 [1,1,0,0,0,0|0,0,0]=2 739 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 Z1696091779 [1,1,0,0,0,0|0,0,0]=2 740 B12R1.107 O=C(O)/C=C(\I)/C1=CC=CC=C1 Z3379426714 [1,1,0,0,0,0|0,0,2]=4 741 B12R1.107 O=C(O)CC(O)C1=CC=CC=C1 Z982132010 [1,1,0,0,0,0|0,0,0]=2 742 B12R1.107 O=C(O)NC(=O)C1=CC=CC=C1 Z56928966 [1,1,0,0,0,0|1,0,1]=4 743 B12R1.125 CC(=O)CCC1=C(C=CC=C1)F Z406376954 [1,1,0,0,0,0|1,0,0]=3 744 B12R1.125 CC(=O)NCC1=C(C=CC=C1)F Z29857733 [1,1,0,0,0,0|2,0,0]=4 745 B12R1.125 CC(=O)NCC1=C(C=CC=C1)N Z3711224127 [1,1,0,0,0,0|2,0,0]=4 746 B12R1.125 CC1=C(C=CC=C1)/C=C/C(=O)O Z2417574586 [1,1,0,0,0,0|0,0,2]=4 747 B12R1.125 CC1=C(C=CC=C1)CCC(=O)O Z317037960 [1,1,0,0,0,0|0,0,0]=2 748 B12R1.125 CC1=C(C=CC=C1)NCC(=O)N Z104590676 [1,1,0,0,0,0|2,0,0]=4 749 B12R1.125 CC1=C(C=CC=C1)OCC(=O)N Z19733874 [1,1,0,0,0,0|2,0,0]=4 750 B12R1.125 CC1=C(C=CC=C1)OCC(=O)O Z56820406 [1,1,0,0,0,0|1,0,0]=3 751 B12R1.125 CC1=C(C=CC=C1)SCC(=O)O Z56870728 [1,1,0,0,0,0|1,0,0]=3 752 B12R1.125 CC1=C(C=CC=N1)CCC(=O)O Z3213741164 [1,1,0,0,0,0|1,0,0]=3 753 B12R1.125 CC1=C(N=CC=C1)CCC(=O)O Z1198279885 [1,1,0,0,0,0|1,0,0]=3 754 B12R1.125 NC(=O)CCC1=C(C=CC=C1)Br Z741559968 [1,1,0,0,0,0|1,0,0]=3 755 B12R1.125 NC(=O)CCC1=C(C=CC=C1)N Z414316848 [1,1,0,0,0,0|1,0,0]=3 756 B12R1.125 NC(=O)CCC1=C(C=CC=C1)O Z371352778 [1,1,0,0,0,0|1,0,0]=3 757 B12R1.125 NC(=O)CNC1=C(C=CC=C1)Br Z137588472 [1,1,0,0,0,0|2,0,0]=4 758 B12R1.125 NC(=O)CNC1=C(C=CC=C1)Cl Z104528166 [1,1,0,0,0,0|2,0,0]=4 759 B12R1.125 NC(=O)CNC1=C(C=CC=C1)I Z133437412 [1,1,0,0,0,0|2,0,0]=4 760 B12R1.125 NC(=O)COC1=C(C=CC=C1)Br Z17829253 [1,1,0,0,0,0|2,0,0]=4 761 B12R1.125 NC(=O)COC1=C(C=CC=C1)Cl Z19726626 [1,1,0,0,0,0|2,0,0]=4 762 B12R1.125 NC(=O)COC1=C(C=CC=C1)F Z19724798 [1,1,0,0,0,0|2,0,0]=4 763 B12R1.125 NC(=O)COC1=C(C=CC=C1)I Z406416164 [1,1,0,0,0,0|2,0,0]=4 764 B12R1.125 NC(=O)CSC1=C(C=CC=C1)Br Z149386624 [1,1,0,0,0,0|2,0,0]=4 765 B12R1.125 NC(=O)CSC1=C(C=CC=C1)Cl Z18459622 [1,1,0,0,0,0|2,0,0]=4 766 B12R1.125 NC(=O)CSC1=C(C=CC=C1)N Z57332466 [1,1,0,0,0,0|2,0,0]=4 767 B12R1.125 NC(=O)NCC1=C(C=CC=C1)Cl Z198194806 [1,1,0,0,0,0|2,0,0]=4 768 B12R1.125 NC(=O)NCC1=C(C=CC=C1)F Z198194842 [1,1,0,0,0,0|2,0,0]=4 769 B12R1.125 O=C(O)/C=C/C1=C(C=CC=C1)Br Z2315575361 [1,1,0,0,0,0|0,0,2]=4 770 B12R1.125 O=C(O)/C=C/C1=C(C=CC=C1)Cl Z57264035 [1,1,0,0,0,0|0,0,2]=4 771 B12R1.125 O=C(O)/C=C/C1=C(C=CC=C1)F Z2573655240 [1,1,0,0,0,0|0,0,2]=4 772 B12R1.125 O=C(O)CCC1=C(C=CC=C1)Br Z406704244 [1,1,0,0,0,0|0,0,0]=2 773 B12R1.125 O=C(O)CCC1=C(C=CC=C1)Cl Z56943366 [1,1,0,0,0,0|0,0,0]=2 774 B12R1.125 O=C(O)CCC1=C(C=CC=C1)F Z57991059 [1,1,0,0,0,0|0,0,0]=2 775 B12R1.125 O=C(O)CCC1=C(C=CC=C1)O Z56347225 [1,1,0,0,0,0|0,0,0]=2 776 B12R1.125 O=C(O)CCN1C=CC=CC1=O Z240085344 [1,1,0,0,0,0|1,0,0]=3 777 B12R1.125 O=C(O)CCN1C=CC=NC1=O Z432066996 [1,1,0,0,0,0|2,0,0]=4 778 B12R1.125 O=C(O)CCN1C=NC=CC1=O Z1154745726 [1,1,0,0,0,0|2,0,0]=4 779 B12R1.125 O=C(O)CCN1N=CC=CC1=O Z1021422926 [1,1,0,0,0,0|2,0,0]=4 780 B12R1.125 O=C(O)CNC1=C(C=CC=C1)Cl Z274534698 [1,1,0,0,0,0|1,0,0]=3 781 B12R1.125 O=C(O)COC1=C(C=CC=C1)Br Z111834298 [1,1,0,0,0,0|1,0,0]=3 782 B12R1.125 O=C(O)COC1=C(C=CC=C1)Cl Z57042068 [1,1,0,0,0,0|1,0,0]=3 783 B12R1.125 O=C(O)COC1=C(C=CC=C1)F Z56823442 [1,1,0,0,0,0|1,0,0]=3 784 B12R1.125 O=C(O)COC1=C(C=CC=C1)O Z56869464 [1,1,0,0,0,0|1,0,0]=3 785 B12R1.125 O=C(O)CSC1=C(C=CC=C1)Br Z56827233 [1,1,0,0,0,0|1,0,0]=3 786 B12R1.125 O=C(O)CSC1=C(C=CC=C1)Cl Z55903470 [1,1,0,0,0,0|1,0,0]=3 787 B12R1.125 O=C(O)CSC1=C(C=CC=C1)F Z55903942 [1,1,0,0,0,0|1,0,0]=3 788 B12R1.125 O=C(O)CSC1=C(C=CC=C1)O Z905204160 [1,1,0,0,0,0|1,0,0]=3 789 B12R1.125 O=C(O)CSC1=[N+](C=CC=C1)[O-] Z55903473 [1,1,0,0,0,0|2,0,0]=4 790 B12R1.226 CC(=O)CCC1=CC(=CC=C1)C Z406376778 [1,1,0,0,0,0|1,0,0]=3 791 B12R1.226 CC(=O)CCC1=CC(=CC=C1)F Z406376716 [1,1,0,0,0,0|1,0,0]=3 792 B12R1.226 CC(=O)NCC1=CC(=CC=C1)Br Z340632658 [1,1,0,0,0,0|2,0,0]=4 793 B12R1.226 CC(=O)NCC1=CC(=CC=C1)F Z340527618 [1,1,0,0,0,0|2,0,0]=4 794 B12R1.226 CC1=CC(=CC=C1)/C=C/C(=O)O Z2942851787 [1,1,0,0,0,0|0,0,2]=4 795 B12R1.226 CC1=CC(=CC=C1)CCC(=O)N Z194976514 [1,1,0,0,0,0|1,0,0]=3 796 B12R1.226 CC1=CC(=CC=C1)CCC(=O)O Z169993866 [1,1,0,0,0,0|0,0,0]=2 797 B12R1.226 CC1=CC(=CC=C1)NCC(=O)N Z104589324 [1,1,0,0,0,0|2,0,0]=4 798 B12R1.226 CC1=CC(=CC=C1)OCC(=O)N Z19732960 [1,1,0,0,0,0|2,0,0]=4 799 B12R1.226 CC1=CC(=CC=C1)OCC(=O)O Z56899056 [1,1,0,0,0,0|1,0,0]=3 800 B12R1.226 CC1=CC(=CC=C1)SCC(=O)O Z778642574 [1,1,0,0,0,0|1,0,0]=3 801 B12R1.226 NC(=O)CCC1=CC(=CC=C1)N Z414316850 [1,1,0,0,0,0|1,0,0]=3 802 B12R1.226 NC(=O)CNC1=CC(=CC=C1)Br Z104587998 [1,1,0,0,0,0|2,0,0]=4 803 B12R1.226 NC(=O)CNC1=CC(=CC=C1)F Z104640682 [1,1,0,0,0,0|2,0,0]=4 804 B12R1.226 NC(=O)COC1=CC(=CC=C1)F Z19755608 [1,1,0,0,0,0|2,0,0]=4 805 B12R1.226 NC(=O)COC1=CC(=CC=C1)I Z25076202 [1,1,0,0,0,0|2,0,0]=4 806 B12R1.226 NC(=O)COC1=CC(=CC=C1)N Z235344273 [1,1,0,0,0,0|2,0,0]=4 807 B12R1.226 NC(=O)COC1=CC(=CC=C1)O Z381415558 [1,1,0,0,0,0|2,0,0]=4 808 B12R1.226 NC(=O)NCC1=CC(=CC=C1)F Z362629554 [1,1,0,0,0,0|2,0,0]=4 809 B12R1.226 NC1=CC(=CC=C1)/C=C/C(=O)O Z2942853438 [1,1,0,0,0,0|0,0,2]=4 810 B12R1.226 O=C(O)/C=C/C1=CC(=CC=C1)Br Z2312942093 [1,1,0,0,0,0|0,0,2]=4 811 B12R1.226 O=C(O)/C=C/C1=CC(=CC=C1)Cl Z2573655238 [1,1,0,0,0,0|0,0,2]=4 812 B12R1.226 O=C(O)/C=C/C1=CC(=CC=C1)F Z2935925467 [1,1,0,0,0,0|0,0,2]=4 813 B12R1.226 O=C(O)/C=C/C1=CC(=CC=C1)O Z247613734 [1,1,0,0,0,0|0,0,2]=4 814 B12R1.226 O=C(O)C#CC1=CC(=CC=C1)Cl Z1143242523 [1,1,0,0,0,0|0,0,2]=4 815 B12R1.226 O=C(O)CCC1=CC(=CC=C1)Br Z56943439 [1,1,0,0,0,0|0,0,0]=2 816 B12R1.226 O=C(O)CCC1=CC(=CC=C1)F Z185153196 [1,1,0,0,0,0|0,0,0]=2 817 B12R1.226 O=C(O)CCC1=CC(=CC=C1)O Z317038038 [1,1,0,0,0,0|0,0,0]=2 818 B12R1.226 O=C(O)CCC1=CC(=CN=C1)F Z1262517660 [1,1,0,0,0,0|1,0,0]=3 819 B12R1.226 O=C(O)CCC1=CC(=CN=C1)O Z1504676734 [1,1,0,0,0,0|1,0,0]=3 820 B12R1.226 O=C(O)CNC1=CC(=CC=C1)Cl Z274534700 [1,1,0,0,0,0|1,0,0]=3 821 B12R1.226 O=C(O)COC1=CC(=CC=C1)Br Z56812737 [1,1,0,0,0,0|1,0,0]=3 822 B12R1.226 O=C(O)COC1=CC(=CC=C1)Cl Z57008935 [1,1,0,0,0,0|1,0,0]=3 823 B12R1.226 O=C(O)COC1=CC(=CN=C1)Br Z1206892989 [1,1,0,0,0,0|2,0,0]=4 824 B12R1.226 O=C(O)CSC1=CC(=CC=C1)Br Z255149890 [1,1,0,0,0,0|1,0,0]=3 825 B12R1.226 O=C(O)CSC1=CC(=CC=C1)Cl Z994465872 [1,1,0,0,0,0|1,0,0]=3 826 B12R1.226 O=C(O)CSC1=CC(=CC=C1)F Z1198220671 [1,1,0,0,0,0|1,0,0]=3 827 B12R1.226 O=C(O)CSC1=CC(=CC=C1)O Z1262555002 [1,1,0,0,0,0|1,0,0]=3 828 B12R1.891 CC(C)(O)CCC1=CC=CC=C1 Z513713254 [1,1,0,0,0,0|1,0,1]=4 829 B12R1.891 NS(=O)(=O)CCC1=CC=CC=C1 Z57965898 [1,1,0,0,0,0|1,0,1]=4 830 B12R1.891 O=S(=O)(F)CCC1=CC=CC=C1 Z1258763618 [1,1,0,0,0,0|1,0,1]=4 831 B12R1.4 CC(=O)NC1=CC=C(C=C1)CN Z235336571 [0,1,0,0,1,0|2,0,0]=4 832 B12R1.4 CC(=O)NC1=CC=C(C=C1)CO Z228585230 [0,1,0,0,1,0|2,0,0]=4 833 B12R1.4 CC(=O)OC1=CC=C(C=C1)CCl Z1255365081 [0,1,0,0,1,0|2,0,0]=4 834 B12R1.4 CC(=O)OC1=CC=C(C=C1)CN Z2216303143 [0,1,0,0,1,0|2,0,0]=4 835 B12R1.4 CCC1=CC=C(C=C1)CC(=O)O Z274782844 [0,1,0,0,1,0|0,0,0]=2 836 B12R1.4 CCC1=CC=C(C=C1)NC(=O)C Z30917832 [0,1,0,0,1,0|2,0,0]=4 837 B12R1.4 CNC1=CC=C(C=C1)NC(=O)C Z335252368 [0,1,0,0,1,0|2,0,0]=4 838 B12R1.4 COC1=CC=C(C=C1)CC(=O)N Z33546648 [0,1,0,0,1,0|1,0,0]=3 839 B12R1.4 COC1=CC=C(C=C1)CC(=O)O Z104476074 [0,1,0,0,1,0|0,0,0]=2 840 B12R1.4 COC1=CC=C(C=C1)CC(C)O Z228586162 [0,1,0,0,1,0|1,0,1]=4 841 B12R1.4 COC1=CC=C(C=C1)NC(=O)C Z28138902 [0,1,0,0,1,0|2,0,0]=4 842 B12R1.4 COC1=CC=C(C=C1)NC(=O)N Z56754681 [0,1,0,0,1,0|2,0,0]=4 843 B12R1.4 COC1=CC=C(C=C1)OC(=O)C Z30195429 [0,1,0,0,1,0|2,0,0]=4 844 B12R1.4 COC1=CN=C(C=C1)CC(=O)O Z1913661249 [0,1,0,0,1,0|1,0,0]=3 845 B12R1.4 COC1=NC=C(C=C1)CC(=O)C Z1216822629 [0,1,0,0,1,0|2,0,0]=4 846 B12R1.4 CSC1=CC=C(C=C1)CC(=O)O Z1212966448 [0,1,0,0,1,0|0,0,0]=2 847 B12R1.4 CSC1=CC=C(C=C1)NC(=O)C Z25066204 [0,1,0,0,1,0|2,0,0]=4 848 B12R1.4 N#CC1=CC=C(C=C1)CC(=O)N Z982774006 [0,1,0,0,1,0|1,0,1]=4 849 B12R1.4 N#CC1=CC=C(C=C1)CC(=O)O Z362118788 [0,1,0,0,1,0|0,0,1]=3 850 B12R1.4 N#CC1=NC=C(C=C1)CC(=O)O Z1255406002 [0,1,0,0,1,0|1,0,1]=4 851 B12R1.4 NCC1=CC=C(C=C1)NC(=O)N Z228589054 [0,1,0,0,1,0|2,0,0]=4 852 B12R1.4 NCC1=NC=C(C=C1)CC(=O)O Z5090941730 [0,1,0,0,1,0|1,0,0]=3 853 B12R1.4 O=CC1=CC=C(C=C1)CC(=O)O Z1198269767 [0,1,0,0,1,0|0,0,1]=3 854 B12R1.19 CC(=O)CC1=CC(=C(C=C1)Br)F Z1269186824 [0,1,0,0,1,0|2,0,0]=4 855 B12R1.19 CC(=O)CC1=CC(=C(C=C1)O)Br Z1269192817 [0,1,0,0,1,0|2,0,0]=4 856 B12R1.19 CC(=O)NC1=CC(=C(C=C1)C)Br Z296850122 [0,1,0,0,1,0|2,0,0]=4 857 B12R1.19 CC(=O)NC1=CC(=C(C=C1)C)Cl Z28153679 [0,1,0,0,1,0|2,0,0]=4 858 B12R1.19 CC(=O)NC1=CC(=C(C=C1)C)F Z30955086 [0,1,0,0,1,0|2,0,0]=4 859 B12R1.19 CC(=O)NC1=CC(=C(C=C1)C)N Z274783012 [0,1,0,0,1,0|2,0,0]=4 860 B12R1.19 CC1=C(C=C(C=C1)CC(=O)O)Br Z1269160930 [0,1,0,0,1,0|0,0,0]=2 861 B12R1.19 CC1=C(C=C(C=C1)CC(=O)O)C Z56923286 [0,1,0,0,1,0|0,0,0]=2 862 B12R1.19 CC1=C(C=C(C=C1)CC(=O)O)Cl Z1198264457 [0,1,0,0,1,0|0,0,0]=2 863 B12R1.19 CC1=C(C=C(C=C1)CC(=O)O)O Z1198166108 [0,1,0,0,1,0|0,0,0]=2 864 B12R1.19 CC1=C(C=C(C=C1)NC(=O)N)C Z107732966 [0,1,0,0,1,0|2,0,0]=4 865 B12R1.19 CC1=C(C=C(C=C1)NC(=O)N)F Z198194884 [0,1,0,0,1,0|2,0,0]=4 866 B12R1.19 CC1=C(C=CC(=C1)CC(=O)O)Br Z1269233833 [0,1,0,0,1,0|1,0,0]=3 867 B12R1.19 CC1=C(C=CC(=C1)CC(=O)O)O Z1198169209 [0,1,0,0,1,0|1,0,0]=3 868 B12R1.19 CC1=C(C=NC(=C1)CC(=O)O)Cl Z2677377810 [0,1,0,0,1,0|2,0,0]=4 869 B12R1.19 NC(=O)CC1=CC(=C(C=C1)Cl)Cl Z33546666 [0,1,0,0,1,0|2,0,0]=4 870 B12R1.19 O=C(O)CC1=CC(=C(C=C1)Br)Br Z1269150510 [0,1,0,0,1,0|1,0,0]=3 871 B12R1.19 O=C(O)CC1=CC(=C(C=C1)Br)Cl Z1269109822 [0,1,0,0,1,0|1,0,0]=3 872 B12R1.19 O=C(O)CC1=CC(=C(C=C1)Br)F Z1269111454 [0,1,0,0,1,0|1,0,0]=3 873 B12R1.19 O=C(O)CC1=CC(=C(C=C1)Cl)Br Z1269184545 [0,1,0,0,1,0|1,0,0]=3 874 B12R1.19 O=C(O)CC1=CC(=C(C=C1)Cl)Cl Z104476066 [0,1,0,0,1,0|1,0,0]=3 875 B12R1.19 O=C(O)CC1=CC(=C(C=C1)F)Br Z285131564 [0,1,0,0,1,0|1,0,0]=3 876 B12R1.19 O=C(O)CC1=CC(=C(C=C1)F)Cl Z362118814 [0,1,0,0,1,0|1,0,0]=3 877 B12R1.19 O=C(O)CC1=CC(=C(C=C1)F)F Z362118708 [0,1,0,0,1,0|1,0,0]=3 878 B12R1.19 O=C(O)CC1=CC(=C(C=C1)I)Br Z1269147843 [0,1,0,0,1,0|1,0,0]=3 879 B12R1.19 O=C(O)CC1=CC(=C(C=C1)O)Cl Z1205411134 [0,1,0,0,1,0|1,0,0]=3 880 B12R1.19 O=C(O)CC1=CC(=C(C=C1)O)F Z1255445925 [0,1,0,0,1,0|1,0,0]=3 881 B12R1.19 O=C(O)CC1=CC(=C(C=C1)O)O Z1255438427 [0,1,0,0,1,0|1,0,0]=3 882 B12R1.20 C=C(C(=O)O)C1=CC=C(C=C1)Cl Z1255421681 [0,1,0,0,1,0|1,0,1]=4 883 B12R1.20 CC(=O)C(C)C1=CC=C(C=C1)Cl Z1276728135 [0,1,0,0,1,0|2,0,0]=4 884 B12R1.20 CC(=O)C(Cl)C1=CC=C(C=C1)F Z1255439681 [0,1,0,0,1,0|2,0,0]=4 885 B12R1.20 CC(C(=O)O)C1=CC=C(C=C1)Br Z1259342200 [0,1,0,0,1,0|1,0,0]=3 886 B12R1.20 CC(C(=O)O)C1=CC=C(C=C1)Cl Z982129848 [0,1,0,0,1,0|1,0,0]=3 887 B12R1.20 CC(C(=O)O)C1=CC=C(C=C1)F Z792377290 [0,1,0,0,1,0|1,0,0]=3 888 B12R1.20 CC(C(=O)O)C1=CC=C(C=C1)I Z1269218602 [0,1,0,0,1,0|1,0,0]=3 889 B12R1.20 CC(C(=O)O)C1=CC=C(C=C1)N Z2935001159 [0,1,0,0,1,0|1,0,0]=3 890 B12R1.20 CC1=CC=C(C=C1)C(=O)C(=O)O Z118430526 [0,1,0,0,1,0|0,0,1]=3 891 B12R1.20 CC1=CC=C(C=C1)C(C)C(=O)O Z792377274 [0,1,0,0,1,0|0,0,0]=2 892 B12R1.20 CC1=CC=C(C=C1)C(N)C(=O)O Z317024662 [0,1,0,0,1,0|0,0,0]=2 893 B12R1.20 NC(=O)C(Br)C1=CC=C(C=C1)F Z198750878 [0,1,0,0,1,0|2,0,0]=4 894 B12R1.20 NC(=O)C(Cl)C1=CC=C(C=C1)Br Z56791849 [0,1,0,0,1,0|2,0,0]=4 895 B12R1.20 NC(=O)C(N)C1=CC=C(C=C1)Br Z57069227 [0,1,0,0,1,0|2,0,0]=4 896 B12R1.20 NC(=O)C(N)C1=CC=C(C=C1)Cl Z1255523404 [0,1,0,0,1,0|2,0,0]=4 897 B12R1.20 NC(=O)C(N)C1=CC=C(C=C1)F Z220512688 [0,1,0,0,1,0|2,0,0]=4 898 B12R1.20 NC(C(=O)O)C1=CC=C(C=C1)Br Z317024668 [0,1,0,0,1,0|1,0,0]=3 899 B12R1.20 NC(C(=O)O)C1=CC=C(C=C1)Cl Z317024646 [0,1,0,0,1,0|1,0,0]=3 900 B12R1.20 NC(C(=O)O)C1=CC=C(C=C1)F Z317024670 [0,1,0,0,1,0|1,0,0]=3 901 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(C=C1)O Z1198149764 [0,1,0,0,1,0|1,0,0]=3 902 B12R1.20 N[C@H](C(=O)O)C1=CC=C(C=C1)F Z1255390982 [0,1,0,0,1,0|1,0,0]=3 903 B12R1.20 N[C@H](C(=O)O)C1=CC=C(C=C1)O Z1255364887 [0,1,0,0,1,0|1,0,0]=3 904 B12R1.20 O=C(O)C(=O)C1=CC=C(C=C1)Cl Z381360896 [0,1,0,0,1,0|1,0,1]=4 905 B12R1.20 O=C(O)C(=O)C1=CC=C(C=C1)F Z381360860 [0,1,0,0,1,0|1,0,1]=4 906 B12R1.20 O=C(O)C(=O)C1=CC=C(C=C1)O Z2472464309 [0,1,0,0,1,0|1,0,1]=4 907 B12R1.20 O=C(O)C(F)C1=CC=C(C=C1)F Z1318255176 [0,1,0,0,1,0|1,0,0]=3 908 B12R1.20 O=C(O)C(O)C1=CC=C(C=C1)Br Z788000726 [0,1,0,0,1,0|1,0,0]=3 909 B12R1.233 CC(=O)CC1=C(C=C(C=C1)Br)F Z992965764 [0,1,0,0,1,0|2,0,0]=4 910 B12R1.233 CC(=O)CC1=C(C=C(C=C1)Cl)F Z1198331241 [0,1,0,0,1,0|2,0,0]=4 911 B12R1.233 CC(=O)CC1=C(C=C(C=C1)F)Br Z992965738 [0,1,0,0,1,0|2,0,0]=4 912 B12R1.233 CC(=O)NC1=C(C=C(C=C1)C)Br Z26522737 [0,1,0,0,1,0|2,0,0]=4 913 B12R1.233 CC(=O)NC1=C(C=C(C=C1)C)C Z27801599 [0,1,0,0,1,0|2,0,0]=4 914 B12R1.233 CC(=O)NC1=C(C=C(C=C1)C)N Z274782976 [0,1,0,0,1,0|2,0,0]=4 915 B12R1.233 CC(=O)NC1=C(C=C(C=C1)C)O Z33451994 [0,1,0,0,1,0|2,0,0]=4 916 B12R1.233 CC1=C(C=CC(=C1)Br)CC(=O)N Z1617965385 [0,1,0,0,1,0|2,0,0]=4 917 B12R1.233 CC1=C(C=CC(=C1)Br)CC(=O)O Z1269213926 [0,1,0,0,1,0|1,0,0]=3 918 B12R1.233 CC1=C(C=CC(=C1)F)CC(=O)O Z982130478 [0,1,0,0,1,0|1,0,0]=3 919 B12R1.233 CC1=C(C=CC(=N1)Cl)CC(=O)O Z1198264658 [0,1,0,0,1,0|2,0,0]=4 920 B12R1.233 CC1=CC(=C(C=C1)CC(=O)O)Br Z1269232519 [0,1,0,0,1,0|0,0,0]=2 921 B12R1.233 CC1=CC(=C(C=C1)NC(=O)N)C Z56754685 [0,1,0,0,1,0|2,0,0]=4 922 B12R1.233 CC1=CC(=C(C=C1)NC(=O)N)F Z359376242 [0,1,0,0,1,0|2,0,0]=4 923 B12R1.233 CC1=CC(=O)C=CN1CC(=O)O Z1262520984 [0,1,0,0,1,0|2,0,0]=4 924 B12R1.233 NC(=O)CC1=C(C=C(C=C1)Br)Cl Z2692246846 [0,1,0,0,1,0|2,0,0]=4 925 B12R1.233 NC1=CC(=C(C=C1)CC(=O)O)F Z1198183551 [0,1,0,0,1,0|1,0,0]=3 926 B12R1.233 O=C(O)CC1=C(C=C(C=C1)Br)Cl Z1269137680 [0,1,0,0,1,0|1,0,0]=3 927 B12R1.233 O=C(O)CC1=C(C=C(C=C1)Br)I Z1269231484 [0,1,0,0,1,0|1,0,0]=3 928 B12R1.233 O=C(O)CC1=C(C=C(C=C1)Br)O Z1269204929 [0,1,0,0,1,0|1,0,0]=3 929 B12R1.233 O=C(O)CC1=C(C=C(C=C1)Cl)Br Z1187934893 [0,1,0,0,1,0|1,0,0]=3 930 B12R1.233 O=C(O)CC1=C(C=C(C=C1)Cl)Cl Z104477206 [0,1,0,0,1,0|1,0,0]=3 931 B12R1.233 O=C(O)CC1=C(C=C(C=C1)F)Br Z285184632 [0,1,0,0,1,0|1,0,0]=3 932 B12R1.233 O=C(O)CC1=C(C=C(C=C1)F)Cl Z285184620 [0,1,0,0,1,0|1,0,0]=3 933 B12R1.233 O=C(O)CC1=C(C=C(C=C1)F)F Z362118706 [0,1,0,0,1,0|1,0,0]=3 934 B12R1.233 O=C(O)CC1=C(C=C(C=C1)O)Cl Z1198307592 [0,1,0,0,1,0|1,0,0]=3 935 B12R1.233 O=C(O)CC1=C(C=C(C=N1)F)F Z1198264626 [0,1,0,0,1,0|2,0,0]=4 936 B12R1.233 O=C(O)CN1C=CC(=CC1=O)Br Z2689726361 [0,1,0,0,1,0|2,0,0]=4 937 B12R1.26 COC(=O)CCC1=CN=C(O1)C Z2732502809 [0,1,0,0,1,0|2,0,0]=4 938 B12R1.59 COC1=NOC(=C1)CCC(=O)O Z1198165498 [0,1,0,0,1,0|2,0,0]=4 939 B12R1.59 O=CC1=CC=C(O1)CCC(=O)O Z3005718637 [0,1,0,0,1,0|1,0,1]=4 940 B12R1.103 CC(CC(=O)O)C1=CN(N=C1)C Z1434181535 [0,1,0,0,1,0|2,0,0]=4 941 B12R1.103 CC1=CC=C(O1)C(N)CC(=O)O Z317027374 [0,1,0,0,1,0|1,0,0]=3 942 B12R1.103 CC1=CC=C(O1)[C@@H](N)CC(=O)O Z1270400005 [0,1,0,0,1,0|1,0,0]=3 943 B12R1.103 CC1=NN(C=C1)C(C)CC(=O)O Z1201627632 [0,1,0,0,1,0|2,0,0]=4 944 B12R1.103 NC(CC(=O)O)C1=CC(=CS1)Cl Z1269154374 [0,1,0,0,1,0|2,0,0]=4 945 B12R1.103 N[C@H](CC(=O)O)C1=CC=C(S1)Cl Z1696091894 [0,1,0,0,1,0|2,0,0]=4 946 B12R1.104 CC(CC1=CN(N=C1)C)C(=O)O Z959330822 [0,1,0,0,1,0|2,0,0]=4 947 B12R1.104 CC1=CN(N=C1)CC(N)C(=O)O Z1737940744 [0,1,0,0,1,0|2,0,0]=4 948 B12R1.104 CC1=NN(C=C1)CC(C)C(=O)O Z1198160947 [0,1,0,0,1,0|2,0,0]=4 949 B12R1.104 CN1C=C(C=N1)CC(N)C(=O)O Z1259335776 [0,1,0,0,1,0|2,0,0]=4 950 B12R1.104 CN1C=NC(=C1)CC(O)C(=O)O Z3270199333 [0,1,0,0,1,0|2,0,0]=4 951 B12R1.104 CN1C=NC(=C1)C[C@H](N)C(=O)O Z3005524545 [0,1,0,0,1,0|2,0,0]=4 952 B12R1.104 NC(CC1=CSC(=C1)Cl)C(=O)O Z3464487109 [0,1,0,0,1,0|2,0,0]=4 953 B12R1.110 CC1=C(NC(=N1)CCC(=O)O)C Z3205646933 [0,1,0,0,1,0|2,0,0]=4 954 B12R1.110 CC1=NN(C=C1Br)CCC(=O)O Z4500620052 [0,1,0,0,1,0|2,0,0]=4 955 B12R1.110 O=C(O)CCC1=CC(=C(S1)Br)Br Z1801428576 [0,1,0,0,1,0|2,0,0]=4 956 B12R1.861 CC1=CC(=C(S1)C)CCC(=O)O Z825743166 [0,1,0,0,1,0|1,0,0]=3 957 B12R1.861 CC1=CC(=NN1CCC(=O)O)C Z220436280 [0,1,0,0,1,0|2,0,0]=4 958 B12R1.861 CC1=NN(C=C1CCC(=O)O)C Z316174674 [0,1,0,0,1,0|2,0,0]=4 959 B12R1.870 CC1=C(C=NN1C)CCC(=O)O Z1198165071 [0,1,0,0,1,0|2,0,0]=4 960 B14R1.4 C=C(C)CNCC1=CC=C(C=C1)SC Z1784439114 [0,1,0,0,0,1|2,0,0]=4 961 B14R1.4 CCC1=CC=C(C=C1)CCCC(=O)O Z336286030 [0,1,0,0,0,1|0,0,0]=2 962 B14R1.4 COC1=CC=C(C=C1)CCCC(=O)N Z952139986 [0,1,0,0,0,1|1,0,0]=3 963 B14R1.4 COC1=CC=C(C=C1)CCCC(=O)O Z57181981 [0,1,0,0,0,1|0,0,0]=2 964 B14R1.4 COC1=CC=C(C=C1)CCNC(=N)N Z1089995164 [0,1,0,0,0,1|2,0,0]=4 965 B14R1.4 COC1=CC=C(C=C1)CNCC(C)O Z5774179697 [0,1,0,0,0,1|1,0,1]=4 966 B14R1.4 COC1=CC=C(C=C1)NCCC(=O)N Z68591083 [0,1,0,0,0,1|1,0,0]=3 967 B14R1.4 COC1=CC=C(C=C1)NCCC(=O)O Z56921145 [0,1,0,0,0,1|0,0,0]=2 968 B14R1.4 COC1=CC=C(C=C1)OCCC(=O)O Z56869407 [0,1,0,0,0,1|0,0,0]=2 969 B14R1.4 COC1=CC=C(C=C1)SCCC(=O)O Z103338270 [0,1,0,0,0,1|0,0,0]=2 970 B14R1.4 COC1=NC=C(C=C1)COCC(=O)O Z2680630295 [0,1,0,0,0,1|1,0,0]=3 971 B14R1.4 CSC1=CC=C(C=C1)CCCC(=O)O Z1486018522 [0,1,0,0,0,1|0,0,0]=2 972 B14R1.4 N#CC1=CC=C(C=C1)CCCC(=O)O Z1209404055 [0,1,0,0,0,1|0,0,1]=3 973 B14R1.4 N#CC1=CC=C(C=C1)CSCC(=O)O Z19691773 [0,1,0,0,0,1|0,0,1]=3 974 B14R1.4 N#CC1=CC=C(C=C1)SCCC(=O)O Z331871152 [0,1,0,0,0,1|0,0,1]=3 975 B14R1.4 NCC1=CC=C(C=C1)CCCC(=O)O Z3015418197 [0,1,0,0,0,1|0,0,0]=2 976 B14R1.4 O=CC1=CC=C(C=C1)OCCC(=O)O Z400426276 [0,1,0,0,0,1|0,0,1]=3 977 B14R1.13 CC1=CC=C(C=C1)CSCC(O)CO Z1340655491 [0,1,0,0,0,1|0,0,2]=4 978 B14R1.13 CC1=CC=C(C=C1)SCCC(=O)NN Z56347053 [0,1,0,0,0,1|1,0,0]=3 979 B14R1.13 CNC(=O)CCOC1=CC=C(C=C1)F Z339447268 [0,1,0,0,0,1|2,0,0]=4 980 B14R1.13 CNC(=O)CCOC1=CC=C(C=C1)N Z756172208 [0,1,0,0,0,1|2,0,0]=4 981 B14R1.13 CNC(=O)CCSC1=CC=C(C=C1)F Z32015514 [0,1,0,0,0,1|2,0,0]=4 982 B14R1.13 CNC(=O)CSCC1=CC=C(C=C1)I Z1276482021 [0,1,0,0,0,1|2,0,0]=4 983 B14R1.13 CNC(=O)NCCC1=CC=C(C=C1)F Z177091216 [0,1,0,0,0,1|2,0,0]=4 984 B14R1.13 COC(=O)CCNC1=CC=C(C=C1)C Z53849263 [0,1,0,0,0,1|0,0,0]=2 985 B14R1.13 COC(=O)CCOC1=CC=C(C=C1)N Z730514392 [0,1,0,0,0,1|1,0,0]=3 986 B14R1.13 COC(=O)CNCC1=CC=C(C=C1)Br Z138464920 [0,1,0,0,0,1|1,0,0]=3 987 B14R1.13 COC(=O)CNCC1=CC=C(C=C1)Cl Z445129504 [0,1,0,0,0,1|1,0,0]=3 988 B14R1.13 NNC(=O)CCSC1=CC=C(C=C1)F Z58983393 [0,1,0,0,0,1|2,0,0]=4 989 B14R1.13 O=C(CCl)NCCC1=CC=C(C=C1)Cl Z56891264 [0,1,0,0,0,1|2,0,0]=4 990 B14R1.13 O=C(CCl)NCCC1=CC=C(C=C1)F Z56822826 [0,1,0,0,0,1|2,0,0]=4 991 B14R1.678 CC1=CC=C(C=C1)C(=O)/C=C/C(=O)O Z2768202101 [0,1,0,0,0,1|0,0,2]=4 992 B14R1.678 CC1=CC=C(C=C1)C(=O)CCC(=O)O Z56899081 [0,1,0,0,0,1|0,0,0]=2 993 B14R1.678 CC1=CC=C(C=C1)C(=O)NCC(=O)N Z33547062 [0,1,0,0,0,1|1,0,1]=4 994 B14R1.678 CC1=CC=C(C=C1)C(=O)NCC(=O)O Z56899118 [0,1,0,0,0,1|0,0,1]=3 995 B14R1.678 NC(CCC(=O)O)C1=CC=C(C=C1)Br Z2856158774 [0,1,0,0,0,1|1,0,0]=3 996 B14R1.678 NC1=CC=C(C=C1)C(=O)CCC(=O)O Z1255439771 [0,1,0,0,0,1|1,0,0]=3 997 B14R1.678 NC1=CC=C(C=C1)C(=O)NCC(=O)O Z104484866 [0,1,0,0,0,1|1,0,1]=4 998 B14R1.678 O=C(O)CCC(=O)C1=CC=C(C=C1)Br Z56860296 [0,1,0,0,0,1|1,0,0]=3 999 B14R1.678 O=C(O)CCC(=O)C1=CC=C(C=C1)Cl Z56860292 [0,1,0,0,0,1|1,0,0]=3 1000 B14R1.678 O=C(O)CCC(=O)C1=CC=C(C=C1)F Z57984615 [0,1,0,0,0,1|1,0,0]=3 1001 B14R1.678 O=C(O)CCC(=O)C1=CC=C(C=C1)I Z56899021 [0,1,0,0,0,1|1,0,0]=3 1002 B14R1.678 O=C(O)CCC(=O)C1=CC=C(C=C1)O Z1255458188 [0,1,0,0,0,1|1,0,0]=3 1003 B14R1.678 O=C(O)CCC(=O)C1=NC=C(C=C1)Cl Z1392165814 [0,1,0,0,0,1|2,0,0]=4 1004 B14R1.678 O=C(O)CNC(=O)C1=CC=C(C=C1)Br Z56827662 [0,1,0,0,0,1|1,0,1]=4 1005 B14R1.678 O=C(O)CNC(=O)C1=CC=C(C=C1)Cl Z56840113 [0,1,0,0,0,1|1,0,1]=4 1006 B14R1.678 O=C(O)CNC(=O)C1=CC=C(C=C1)F Z56896220 [0,1,0,0,0,1|1,0,1]=4 1007 B14R1.678 O=C(O)CNC(=O)C1=CC=C(C=C1)O Z285193230 [0,1,0,0,0,1|1,0,1]=4 1008 B14R1.679 C=C(COC1=CC=C(C=C1)Br)C(=O)O Z1197868030 [0,1,0,0,0,1|1,0,1]=4 1009 B14R1.679 C=C(COC1=CC=C(C=C1)C)C(=O)O Z1197868140 [0,1,0,0,0,1|0,0,1]=3 1010 B14R1.679 CC(CSC1=CC=C(C=C1)F)C(=O)O Z431541816 [0,1,0,0,0,1|1,0,0]=3 1011 B14R1.679 CC(NCC1=CC=C(C=C1)F)C(=O)O Z363997798 [0,1,0,0,0,1|1,0,0]=3 1012 B14R1.679 CC(OCC1=CC=C(C=C1)F)C(=O)O Z1262558351 [0,1,0,0,0,1|1,0,0]=3 1013 B14R1.679 CC(SCC1=CC=C(C=C1)Br)C(=O)O Z18753942 [0,1,0,0,0,1|1,0,0]=3 1014 B14R1.679 CC(SCC1=CC=C(C=C1)Cl)C(=O)N Z18432807 [0,1,0,0,0,1|2,0,0]=4 1015 B14R1.679 CC(SCC1=CC=C(C=C1)I)C(=O)N Z1276481977 [0,1,0,0,0,1|2,0,0]=4 1016 B14R1.679 CC1=CC=C(C=C1)COC(C)C(=O)O Z1714301562 [0,1,0,0,0,1|0,0,0]=2 1017 B14R1.679 NC(CCC1=CC=C(C=C1)Br)C(=O)O Z4310725393 [0,1,0,0,0,1|1,0,0]=3 1018 B14R1.679 NC1=CC=C(C=C1)SCC(N)C(=O)O Z1263568367 [0,1,0,0,0,1|1,0,0]=3 1019 B14R1.679 O=C(O)C(=O)NCC1=CC=C(C=C1)F Z424779476 [0,1,0,0,0,1|1,0,1]=4 1020 B14R1.687 CC(=O)NCCC1=CC(=C(C=C1)O)O Z68159731 [0,1,0,0,0,1|2,0,0]=4 1021 B14R1.687 CC1=C(C=C(C=C1)CCCC(=O)O)C Z367662128 [0,1,0,0,0,1|0,0,0]=2 1022 B14R1.687 CC1=C(C=C(C=C1)CNC[C@@H](C)O)Cl Z1884048170 [0,1,0,0,0,1|1,0,1]=4 1023 B14R1.687 CC1=C(C=C(C=C1)NCCC(=O)O)Cl Z359505722 [0,1,0,0,0,1|0,0,0]=2 1024 B14R1.687 CC1=C(C=C(C=C1)OCCC(=O)N)C Z262454044 [0,1,0,0,0,1|1,0,0]=3 1025 B14R1.687 CC1=C(C=C(C=C1)OCCC(=O)O)C Z240085168 [0,1,0,0,0,1|0,0,0]=2 1026 B14R1.687 CC1=C(C=C(C=C1)SCCC(=O)O)C Z57981106 [0,1,0,0,0,1|0,0,0]=2 1027 B14R1.687 O=C(O)CCCC1=CC(=C(C=C1)Cl)Cl Z389928002 [0,1,0,0,0,1|1,0,0]=3 1028 B14R1.687 O=C(O)CCCC1=CC(=C(C=C1)F)F Z336286022 [0,1,0,0,0,1|1,0,0]=3 1029 B14R1.687 O=C(O)CCOC1=CC(=C(C=C1)Cl)Cl Z206412696 [0,1,0,0,0,1|1,0,0]=3 1030 B14R1.687 O=C(O)CCOC1=CC(=C(C=C1)F)Cl Z210548238 [0,1,0,0,0,1|1,0,0]=3 1031 B14R1.687 O=C(O)CCSC1=CC(=C(C=C1)F)F Z99598954 [0,1,0,0,0,1|1,0,0]=3 1032 B14R1.687 O=C(O)CSCC1=CC(=C(C=C1)Cl)Cl Z19691711 [0,1,0,0,0,1|1,0,0]=3 1033 B14R1.698 CC(=O)NC(C)CC1=CC=C(C=C1)Br Z423118124 [0,1,0,0,0,1|2,0,0]=4 1034 B14R1.698 CC(CC(=O)O)CC1=CC=C(C=C1)Cl Z1269212618 [0,1,0,0,0,1|1,0,0]=3 1035 B14R1.698 CC1=CC=C(C=C1)CN(C)CC(=O)O Z1459900471 [0,1,0,0,0,1|0,0,0]=2 1036 B14R1.698 CN(CC(=O)N)CC1=CC=C(C=C1)Br Z54998150 [0,1,0,0,0,1|2,0,0]=4 1037 B14R1.698 CN(CC(=O)N)CC1=CC=C(C=C1)F Z54508743 [0,1,0,0,0,1|2,0,0]=4 1038 B14R1.4464 CC1=CC(=C(C=C1)OCCC(=O)O)Br Z335299658 [0,1,0,0,0,1|0,0,0]=2 1039 B14R1.4464 CC1=CC(=C(C=C1)OCCC(=O)O)C Z240085122 [0,1,0,0,0,1|0,0,0]=2 1040 B14R1.4464 CC1=CC(=C(C=C1)OCCC(=O)O)Cl Z995007918 [0,1,0,0,0,1|0,0,0]=2 1041 B14R1.4464 CC1=NC(=C(C=N1)CNCC(=O)O)N Z6032168685 [0,1,0,0,0,1|2,0,0]=4 1042 B14R1.4464 O=C(O)CCOC1=C(C=C(C=C1)Br)F Z207133164 [0,1,0,0,0,1|1,0,0]=3 1043 B14R1.4464 O=C(O)CCOC1=C(C=C(C=C1)Cl)Br Z225358632 [0,1,0,0,0,1|1,0,0]=3 1044 B14R1.4464 O=C(O)CCOC1=C(C=C(C=C1)Cl)Cl Z224636418 [0,1,0,0,0,1|1,0,0]=3 1045 B14R1.4464 O=C(O)CCOC1=C(C=C(C=C1)F)Cl Z206372752 [0,1,0,0,0,1|1,0,0]=3 1046 B14R1.4464 O=C(O)CCOC1=C(C=C(C=C1)F)F Z240085248 [0,1,0,0,0,1|1,0,0]=3 1047 B14R1.4464 O=C(O)CSCC1=C(C=C(C=C1)Br)F Z19691244 [0,1,0,0,0,1|1,0,0]=3 1048 B14R1.4464 O=C(O)CSCC1=C(C=C(C=C1)Cl)Cl Z19691785 [0,1,0,0,0,1|1,0,0]=3 1049 B14R1.2 CCC1=CC=C(C=C1)/C(=C/C(=O)O)/C Z2587768559 [0,2,0,0,0,0|0,0,2]=4 1050 B14R1.2 CCC1=CC=C(C=C1)C(C)CC(=O)O Z352782948 [0,2,0,0,0,0|0,0,0]=2 1051 B14R1.2 COC1=CC=C(C=C1)/C(=C/C(=O)O)/C Z352747052 [0,2,0,0,0,0|0,0,2]=4 1052 B14R1.2 COC1=CC=C(C=C1)C(=O)CC(=O)C Z359504404 [0,2,0,0,0,0|1,0,1]=4 1053 B14R1.2 COC1=CC=C(C=C1)C(C)CC(=O)O Z352782172 [0,2,0,0,0,0|0,0,0]=2 1054 B14R1.2 COC1=CC=C(C=C1)C(N)CC(=O)O Z147647160 [0,2,0,0,0,0|0,0,0]=2 1055 B14R1.3 CC(CC1=CC=C(C=C1)C#N)C(=O)O Z1198652586 [0,2,0,0,0,0|0,0,1]=3 1056 B14R1.3 CC(OC1=CC=C(C=C1)C#N)C(=O)O Z65534997 [0,2,0,0,0,0|1,0,1]=4 1057 B14R1.3 CC(OC1=CC=C(C=C1)C=O)C(=O)O Z400426336 [0,2,0,0,0,0|1,0,1]=4 1058 B14R1.3 CC(SC1=CC=C(C=C1)C#N)C(=O)O Z331871172 [0,2,0,0,0,0|1,0,1]=4 1059 B14R1.3 COC1=CC=C(C=C1)CC(C)C(=O)O Z513659616 [0,2,0,0,0,0|0,0,0]=2 1060 B14R1.3 COC1=CC=C(C=C1)CC(O)C(=O)O Z1198174222 [0,2,0,0,0,0|0,0,0]=2 1061 B14R1.3 COC1=CC=C(C=C1)CN(C)C(=O)C Z30050798 [0,2,0,0,0,0|2,0,0]=4 1062 B14R1.3 COC1=CC=C(C=C1)NC(=O)C(=O)O Z90122504 [0,2,0,0,0,0|1,0,1]=4 1063 B14R1.3 COC1=CC=C(C=C1)OC(C)C(=O)O Z57825367 [0,2,0,0,0,0|1,0,0]=3 1064 B14R1.3 COC1=CC=C(C=C1)SC(C)C(=O)N Z51311772 [0,2,0,0,0,0|2,0,0]=4 1065 B14R1.3 COC1=CC=C(C=C1)SC(C)C(=O)O Z149354266 [0,2,0,0,0,0|1,0,0]=3 1066 B14R1.3 CSC1=CC=C(C=C1)CC(N)C(=O)O Z1695906941 [0,2,0,0,0,0|0,0,0]=2 1067 B14R1.3 CSC1=CC=C(C=C1)OC(C)C(=O)O Z1143283334 [0,2,0,0,0,0|1,0,0]=3 1068 B14R1.5 C=CC(=O)NCC1=CC=C(C=C1)OC Z440633936 [0,2,0,0,0,0|2,0,0]=4 1069 B14R1.5 CCC1=CC=C(C=C1)CCC(=O)NC Z62678674 [0,2,0,0,0,0|1,0,0]=3 1070 B14R1.5 CCC1=CC=C(C=C1)CCC(=O)OC Z66570476 [0,2,0,0,0,0|0,0,0]=2 1071 B14R1.5 CNC(=O)CSC1=CC=C(C=C1)OC Z51311503 [0,2,0,0,0,0|2,0,0]=4 1072 B14R1.5 CNC1=CC=C(C=C1)CCC(=O)OC Z1262580135 [0,2,0,0,0,0|0,0,0]=2 1073 B14R1.5 CNC1=CC=C(C=C1)OCC(=O)OC Z1650039499 [0,2,0,0,0,0|1,0,0]=3 1074 B14R1.5 COC(=O)CCC1=CC=C(C=C1)C=O Z1511748939 [0,2,0,0,0,0|0,0,1]=3 1075 B14R1.5 COC(=O)COC1=CC=C(C=C1)C#N Z19234337 [0,2,0,0,0,0|1,0,1]=4 1076 B14R1.5 COC(=O)COC1=CC=C(C=C1)C=O Z25126560 [0,2,0,0,0,0|1,0,1]=4 1077 B14R1.5 COC(=O)COC1=CC=C(C=C1)CO Z54574919 [0,2,0,0,0,0|1,0,0]=3 1078 B14R1.5 COC1=CC=C(C=C1)CC/C(=N/O)/C Z49568020 [0,2,0,0,0,0|1,0,0]=3 1079 B14R1.5 COC1=CC=C(C=C1)CCC(=O)NO Z59183016 [0,2,0,0,0,0|0,0,0]=2 1080 B14R1.5 COC1=CC=C(C=C1)CNC(=O)CCl Z56896262 [0,2,0,0,0,0|2,0,0]=4 1081 B14R1.5 COC1=CC=C(C=C1)CNC(=O)CN Z1259341036 [0,2,0,0,0,0|2,0,0]=4 1082 B14R1.5 COC1=CC=C(C=C1)NCC(=O)NN Z56862354 [0,2,0,0,0,0|2,0,0]=4 1083 B14R1.5 COC1=CC=C(C=C1)OCC(=O)NN Z56869436 [0,2,0,0,0,0|2,0,0]=4 1084 B14R1.103 COC1=CC(=C(C=C1)/C=C/C(=O)O)C Z3033961334 [0,2,0,0,0,0|0,0,2]=4 1085 B14R1.103 COC1=CC(=C(C=C1)CCC(=O)C)C Z1259123434 [0,2,0,0,0,0|1,0,0]=3 1086 B14R1.103 COC1=CC(=C(C=C1)CCC(=O)O)Br Z1269115366 [0,2,0,0,0,0|0,0,0]=2 1087 B14R1.103 N#CC1=CC(=C(C=C1)CCC(=O)O)Br Z1551918133 [0,2,0,0,0,0|0,0,1]=3 1088 B14R1.103 N#CC1=CC(=C(C=C1)CCC(=O)O)F Z1262556755 [0,2,0,0,0,0|0,0,1]=3 1089 B14R1.103 N#CC1=CC(=C(C=C1)OCC(=O)O)Cl Z98976532 [0,2,0,0,0,0|1,0,1]=4 1090 B14R1.103 O=CC1=CC(=C(C=C1)OCC(=O)O)Br Z57349048 [0,2,0,0,0,0|1,0,1]=4 1091 B14R1.103 O=CC1=CC(=C(C=C1)OCC(=O)O)Cl Z57184333 [0,2,0,0,0,0|1,0,1]=4 1092 B14R1.142 CCCC1=CC=C(C=C1)C#CC(=O)O Z1143242504 [0,2,0,0,0,0|0,0,2]=4 1093 B14R1.142 CCOC1=CC=C(C=C1)/C=C/C(=O)O Z2315575657 [0,2,0,0,0,0|0,0,2]=4 1094 B14R1.142 CCOC1=CC=C(C=C1)CCC(=O)N Z809768664 [0,2,0,0,0,0|1,0,0]=3 1095 B14R1.142 CCOC1=CC=C(C=C1)CCC(=O)O Z317037950 [0,2,0,0,0,0|0,0,0]=2 1096 B14R1.142 CCOC1=CC=C(C=C1)OCC(=O)O Z56896865 [0,2,0,0,0,0|1,0,0]=3 1097 B14R1.142 CCOC1=CC=C(C=C1)SCC(=O)O Z57983012 [0,2,0,0,0,0|1,0,0]=3 1098 B14R1.142 N#CCC1=CC=C(C=C1)OCC(=O)O Z239549514 [0,2,0,0,0,0|1,0,0]=3 1099 B14R1.142 NCCC1=CC=C(C=C1)OCC(=O)N Z239127374 [0,2,0,0,0,0|2,0,0]=4 1100 B14R1.142 NCCC1=CC=C(C=C1)OCC(=O)O Z440610732 [0,2,0,0,0,0|1,0,0]=3 1101 B14R1.211 COC1=CC=C(C=C1)CCS(=O)(=O)C Z416917746 [0,2,0,0,0,0|1,0,1]=4 1102 B14R1.211 COC1=CC=C(C=C1)CCS(=O)(=O)N Z1263555125 [0,2,0,0,0,0|1,0,1]=4 1103 B14R1.419 CC(=O)C1=CC=C(C=C1)OCC(=O)N Z19661544 [0,2,0,0,0,0|2,0,0]=4 1104 B14R1.419 CC(=O)C1=CC=C(C=C1)OCC(=O)O Z56900769 [0,2,0,0,0,0|1,0,0]=3 1105 B14R1.419 CC(=O)C1=CC=C(C=C1)SCC(=O)O Z443257116 [0,2,0,0,0,0|1,0,0]=3 1106 B14R1.419 CC(C)C1=CC=C(C=C1)/C=C/C(=O)O Z2311574705 [0,2,0,0,0,0|0,0,2]=4 1107 B14R1.419 CC(C)C1=CC=C(C=C1)CCC(=O)N Z274795168 [0,2,0,0,0,0|1,0,0]=3 1108 B14R1.419 CC(C)C1=CC=C(C=C1)CCC(=O)O Z169914022 [0,2,0,0,0,0|0,0,0]=2 1109 B14R1.419 CC(C)C1=CC=C(C=C1)OCC(=O)O Z57396918 [0,2,0,0,0,0|1,0,0]=3 1110 B14R1.419 CC(C)C1=CC=C(C=C1)SCC(=O)O Z239812086 [0,2,0,0,0,0|1,0,0]=3 1111 B14R1.419 CC(N)C1=CC=C(C=C1)OCC(=O)N Z278080290 [0,2,0,0,0,0|2,0,0]=4 1112 B14R1.419 CN(C)C1=CC=C(C=C1)/C=C/C(=O)O Z2942851546 [0,2,0,0,0,0|0,0,2]=4 1113 B14R1.419 CN(C)C1=CC=C(C=C1)CCC(=O)O Z99599548 [0,2,0,0,0,0|0,0,0]=2 1114 B14R1.419 CN(C)C1=NC=C(C=C1)CCC(=O)O Z4014729929 [0,2,0,0,0,0|1,0,0]=3 1115 B14R1.419 NC(=O)C1=CC=C(C=C1)CCC(=O)O Z1198274752 [0,2,0,0,0,0|0,0,1]=3 1116 B14R1.419 NC(=O)C1=CC=C(C=C1)NCC(=O)O Z331870800 [0,2,0,0,0,0|1,0,1]=4 1117 B14R1.419 NC(=O)C1=CC=C(C=C1)OCC(=O)O Z197257328 [0,2,0,0,0,0|1,0,1]=4 1118 B14R1.419 NC(=O)CCC1=CC=C(C=C1)C(=O)O Z336081070 [0,2,0,0,0,0|1,0,1]=4 1119 B14R1.419 O=C(O)CCC1=CC=C(C=C1)C(F)F Z1505675301 [0,2,0,0,0,0|0,0,0]=2 1120 B14R1.419 O=C(O)CCC1=CC=C(C=C1)[N+](=O)[O-] Z424800706 [0,2,0,0,0,0|1,0,0]=3 1121 B14R1.419 O=C(O)CCC1=NC=C(C=C1)[N+](=O)[O-] Z1816507633 [0,2,0,0,0,0|2,0,0]=4 1122 B14R1.419 O=C(O)CNC1=CC=C(C=C1)C(=O)O Z274567118 [0,2,0,0,0,0|1,0,1]=4 1123 B14R1.419 O=C(O)COC1=CC=C(C=C1)C(=O)O Z104509508 [0,2,0,0,0,0|1,0,1]=4 1124 B14R1.419 O=C(O)COC1=CC=C(C=C1)[N+](=O)[O-] Z56347386 [0,2,0,0,0,0|2,0,0]=4 1125 B14R1.419 O=C(O)CSC1=CC=C(C=C1)[N+](=O)[O-] Z31205671 [0,2,0,0,0,0|2,0,0]=4 1126 B14R1.3653 COC1=C(C=C(C=C1)/C=C/C(=O)O)Cl Z2311776784 [0,2,0,0,0,0|0,0,2]=4 1127 B14R1.3653 COC1=C(C=C(C=C1)/C=C/C(=O)O)F Z2312274789 [0,2,0,0,0,0|0,0,2]=4 1128 B14R1.3653 COC1=C(C=C(C=C1)/C=C/C(=O)O)O Z2693271860 [0,2,0,0,0,0|0,0,2]=4 1129 B14R1.3653 COC1=C(C=C(C=C1)CCC(=O)C)O Z1268633028 [0,2,0,0,0,0|1,0,0]=3 1130 B14R1.3653 COC1=C(C=C(C=C1)CCC(=O)O)Br Z303635158 [0,2,0,0,0,0|0,0,0]=2 1131 B14R1.3653 COC1=C(C=C(C=C1)CCC(=O)O)Cl Z235345357 [0,2,0,0,0,0|0,0,0]=2 1132 B14R1.3653 COC1=C(C=C(C=C1)CCC(=O)O)N Z1251354132 [0,2,0,0,0,0|0,0,0]=2 1133 B14R1.3653 COC1=C(C=C(C=C1)CCC(=O)O)O Z317038026 [0,2,0,0,0,0|0,0,0]=2 1134 B14R1.3653 COC1=C(C=C(C=C1)OCC(=O)O)C Z1430609738 [0,2,0,0,0,0|1,0,0]=3 1135 B14R1.3653 N#CC1=C(C=C(C=C1)OCC(=O)O)Br Z1923129817 [0,2,0,0,0,0|1,0,1]=4 1136 B14R1.10 COC(=O)CC(=O)C1=CC=C(C=C1)Cl Z317040222 [0,2,0,0,0,0|1,0,1]=4 1137 B14R1.10 COC(=O)CC(C)C1=CC=C(C=C1)Br Z1269160571 [0,2,0,0,0,0|1,0,0]=3 1138 B14R1.10 COC(=O)CC(C)C1=CC=C(C=C1)N Z1262631339 [0,2,0,0,0,0|1,0,0]=3 1139 B14R1.10 COC(=O)CC(N)C1=CC=C(C=C1)Br Z199409082 [0,2,0,0,0,0|1,0,0]=3 1140 B14R1.10 COC(=O)CC(N)C1=CC=C(C=C1)C Z235351531 [0,2,0,0,0,0|0,0,0]=2 1141 B14R1.10 COC(=O)CC(N)C1=CC=C(C=C1)Cl Z367450950 [0,2,0,0,0,0|1,0,0]=3 1142 B14R1.10 COC(=O)CC(N)C1=CC=C(C=C1)F Z366644130 [0,2,0,0,0,0|1,0,0]=3 1143 B14R1.10 COC(=O)C[C@@H](N)C1=CC=C(C=C1)Cl Z2768215215 [0,2,0,0,0,0|1,0,0]=3 1144 B14R1.10 COC(=O)C[C@H](N)C1=CC=C(C=C1)Cl Z1331055684 [0,2,0,0,0,0|1,0,0]=3 1145 B14R1.134 CC1=CC=C(C=C1)CN(C)C(=O)CCl Z57051073 [0,2,0,0,0,0|2,0,0]=4 1146 B14R1.134 CCC(=O)C(C)OC1=CC=C(C=C1)C Z1245537590 [0,2,0,0,0,0|2,0,0]=4 1147 B14R1.134 CNC(=O)C(C)OC1=CC=C(C=C1)C Z32015294 [0,2,0,0,0,0|2,0,0]=4 1148 B14R1.134 CNC(=O)C(C)SC1=CC=C(C=C1)C Z57269342 [0,2,0,0,0,0|2,0,0]=4 1149 B14R1.134 COC(=O)C(=O)NC1=CC=C(C=C1)C Z285919732 [0,2,0,0,0,0|1,0,1]=4 1150 B14R1.134 COC(=O)C(C)NC1=CC=C(C=C1)Br Z727818918 [0,2,0,0,0,0|2,0,0]=4 1151 B14R1.134 COC(=O)C(C)OC1=CC=C(C=C1)F Z24274546 [0,2,0,0,0,0|2,0,0]=4 1152 B14R1.134 COC(=O)C(N)CC1=CC=C(C=C1)F Z1511495088 [0,2,0,0,0,0|1,0,0]=3 1153 B14R1.134 COC(=O)C(N)CC1=CC=C(C=C1)O Z57000505 [0,2,0,0,0,0|1,0,0]=3 1154 B14R1.134 COC(=O)N(C)CC1=CC=C(C=C1)N Z425368560 [0,2,0,0,0,0|2,0,0]=4 1155 B14R1.502 CC1=CC=C(C=C1)CNC(=O)CC#N Z275151924 [0,2,0,0,0,0|2,0,0]=4 1156 B14R1.502 CCNC(=O)CCC1=CC=C(C=C1)O Z1634469457 [0,2,0,0,0,0|2,0,0]=4 1157 B14R1.502 CCNC(=O)NCC1=CC=C(C=C1)C Z44616623 [0,2,0,0,0,0|2,0,0]=4 1158 B14R1.502 CCOC(=O)/C=C/C1=CC=C(C=C1)C Z54083206 [0,2,0,0,0,0|0,0,2]=4 1159 B14R1.502 CCOC(=O)CCC1=CC=C(C=C1)N Z1250132306 [0,2,0,0,0,0|1,0,0]=3 1160 B14R1.502 CCOC(=O)CNC1=CC=C(C=C1)F Z56968885 [0,2,0,0,0,0|2,0,0]=4 1161 B14R1.502 CCOC(=O)COC1=CC=C(C=C1)N Z239127424 [0,2,0,0,0,0|2,0,0]=4 1162 B14R1.502 CCOC(=O)COC1=CC=C(C=C1)O Z1200224157 [0,2,0,0,0,0|2,0,0]=4 1163 B14R1.502 COCC(=O)NCC1=CC=C(C=C1)C Z33297786 [0,2,0,0,0,0|1,0,0]=3 1164 B14R1.502 COCC(=O)NCC1=CC=C(C=C1)Cl Z31452434 [0,2,0,0,0,0|2,0,0]=4 1165 B14R1.502 COCC(=O)NCC1=CN=C(C=C1)C Z437519148 [0,2,0,0,0,0|2,0,0]=4 1166 B14R1.502 CONC(=O)CCC1=CC=C(C=C1)C Z254326808 [0,2,0,0,0,0|0,0,0]=2 1167 B14R1.502 CONC(=O)COC1=CC=C(C=C1)Br Z188880172 [0,2,0,0,0,0|2,0,0]=4 1168 B14R1.502 CONC(=O)COC1=CC=C(C=C1)Cl Z188880134 [0,2,0,0,0,0|2,0,0]=4 1169 B14R1.502 CSCC(=O)NCC1=CC=C(C=C1)C Z28428678 [0,2,0,0,0,0|1,1,0]=4 1170 B14R1.727 CC1=CC(=C(C=C1)NCC(=O)NN)C Z56797490 [0,2,0,0,0,0|2,0,0]=4 1171 B14R1.727 CNC(=O)COC1=C(C=C(C=C1)C)Br Z18249387 [0,2,0,0,0,0|2,0,0]=4 1172 B14R1.727 CNC(=O)COC1=C(C=C(C=C1)C)C Z17497701 [0,2,0,0,0,0|2,0,0]=4 1173 B14R1.727 CNC(=O)CSC1=C(C=C(C=C1)C)C Z25047275 [0,2,0,0,0,0|2,0,0]=4 1174 B14R1.727 COC(=O)CNC1=C(C=C(C=C1)C)Br Z297651810 [0,2,0,0,0,0|1,0,0]=3 1175 B14R1.727 COC(=O)COC1=C(C=C(C=C1)Cl)Br Z25280897 [0,2,0,0,0,0|2,0,0]=4 1176 B14R1.727 COC(=O)COC1=C(C=C(C=C1)F)Br Z25282458 [0,2,0,0,0,0|2,0,0]=4 1177 B14R1.727 COC(=O)COC1=C(C=C(C=C1)I)Br Z5018658206 [0,2,0,0,0,0|2,0,0]=4 1178 B14R1.727 COC(=O)COC1=C(C=C(C=C1)N)Cl Z239873300 [0,2,0,0,0,0|2,0,0]=4 1179 B14R1.727 O=C(CO)NCC1=C(C=C(C=C1)Cl)I Z1893175450 [0,2,0,0,0,0|2,0,0]=4 1180 B14R1.727 O=C(COC1=C(C=C(C=C1)Cl)Cl)NO Z56756521 [0,2,0,0,0,0|2,0,0]=4 1181 B14R1.833 CC1=C(C=C(C=C1)CNC(=O)CCl)F Z199423744 [0,2,0,0,0,0|2,0,0]=4 1182 B14R1.833 CC1=C(C=C(C=C1)CNC(=O)CO)F Z431952198 [0,2,0,0,0,0|1,0,0]=3 1183 B14R1.833 CC1=C(C=C(C=C1)OCC(=O)NN)C Z56820973 [0,2,0,0,0,0|2,0,0]=4 1184 B14R1.833 CCC(=O)NCC1=CC(=C(C=C1)C)F Z169813574 [0,2,0,0,0,0|2,0,0]=4 1185 B14R1.833 CNC(=O)CCC1=CC(=C(C=C1)Br)C Z1360063138 [0,2,0,0,0,0|2,0,0]=4 1186 B14R1.833 CNC(=O)CNC1=CC(=C(C=C1)C)Cl Z104643514 [0,2,0,0,0,0|2,0,0]=4 1187 B14R1.833 CNC(=O)CSC1=CC(=C(C=C1)C)C Z24835396 [0,2,0,0,0,0|2,0,0]=4 1188 B14R1.833 COC(=O)CCC1=CC(=C(C=C1)O)N Z1509418737 [0,2,0,0,0,0|1,0,0]=3 1189 B14R1.833 COC(=O)CNC1=CC(=C(C=C1)Br)C Z297588574 [0,2,0,0,0,0|2,0,0]=4 1190 B14R1.833 COC(=O)CNC1=CC(=C(C=C1)Cl)Cl Z297574394 [0,2,0,0,0,0|2,0,0]=4 1191 B14R1.833 COC(=O)COC1=CC(=C(C=C1)N)C Z239127646 [0,2,0,0,0,0|2,0,0]=4 1192 B14R1.833 O=C(CO)NCC1=CC(=C(C=C1)F)Cl Z1551784377 [0,2,0,0,0,0|2,0,0]=4 1193 B14R1.833 O=C(CO)NCC1=CC(=C(C=C1)I)Cl Z2004789665 [0,2,0,0,0,0|2,0,0]=4 1194 B14R1.132 CC(C(=O)O)C(N)C1=CC=C(C=C1)Br Z1895583549 [0,2,0,0,0,0|1,0,0]=3 1195 B14R1.132 CC1=CC=C(C=C1)C(C)C(O)C(=O)O Z1271904593 [0,2,0,0,0,0|0,0,0]=2 1196 B14R1.685 CC(CC(=O)O)C1=CC(=C(C=C1)F)Br Z1813131228 [0,2,0,0,0,0|1,0,0]=3 1197 B14R1.685 CC1=C(C=C(C=C1)C(N)CC(=O)O)C Z445853348 [0,2,0,0,0,0|0,0,0]=2 1198 B14R1.685 CC1=C(C=C(C=C1)[C@@H](C)NC(=O)N)F Z2352561630 [0,2,0,0,0,0|2,0,0]=4 1199 B14R1.694 CC(=O)CS(=O)(=O)C1=CC=C(C=C1)C Z57600574 [0,2,0,0,0,0|2,0,0]=4 1200 B14R1.694 CC(C)(CC(=O)O)C1=CC=C(C=C1)F Z1255380194 [0,2,0,0,0,0|1,0,0]=3 1201 B14R1.694 CC(C)(CC(=O)O)C1=CC=C(C=C1)N Z1198223705 [0,2,0,0,0,0|1,0,0]=3 1202 B14R1.694 CC1=CC=C(C=C1)C(C)(C)CC(=O)O Z56347157 [0,2,0,0,0,0|0,0,0]=2 1203 B14R1.694 CC1=CC=C(C=C1)S(=O)(=O)CC(=O)N Z19129146 [0,2,0,0,0,0|2,0,0]=4 1204 B14R1.694 CC1=CC=C(C=C1)S(=O)(=O)CC(=O)O Z56963388 [0,2,0,0,0,0|1,0,0]=3 1205 B14R1.694 O=C(O)CS(=O)(=O)C1=CC=C(C=C1)Br Z390051466 [0,2,0,0,0,0|2,0,0]=4 1206 B14R1.694 O=C(O)CS(=O)(=O)C1=CC=C(C=C1)Cl Z56852692 [0,2,0,0,0,0|2,0,0]=4 1207 B14R1.1019 CC/C(=C\C(=O)O)/C1=CC=C(C=C1)C Z352747448 [0,2,0,0,0,0|0,0,2]=4 1208 B14R1.1019 CCC(CC(=O)O)C1=CC=C(C=C1)C Z352782040 [0,2,0,0,0,0|0,0,0]=2 1209 B14R1.1019 NCC(CC(=O)O)C1=CC=C(C=C1)Cl Z2569257770 [0,2,0,0,0,0|1,0,0]=3 1210 B14R1.1019 NCC(CC(=O)O)C1=CC=C(C=C1)F Z2471610998 [0,2,0,0,0,0|1,0,0]=3 1211 B14R1.6048 CC(CC(=O)O)C1=C(C=C(C=C1)F)F Z352783294 [0,2,0,0,0,0|1,0,0]=3 1212 B14R1.6048 NC(CC(=O)O)C1=C(C=C(C=C1)F)F Z317027302 [0,2,0,0,0,0|1,0,0]=3 1213 B14R1.6048 N[C@@H](CC(=O)O)C1=C(C=C(C=C1)F)F Z1696824148 [0,2,0,0,0,0|1,0,0]=3 1214 B14R1.6048 N[C@H](CC(=O)O)C1=C(C=C(C=C1)F)F Z1696822760 [0,2,0,0,0,0|1,0,0]=3 1215 B14R1.536 CC1=CC=C(C=C1)/C=C(/C#N)\C(=O)O Z44303450 [0,2,0,0,0,0|0,0,2]=4 1216 B14R1.536 CC1=CC=C(C=C1)CC(CN)C(=O)O Z1478043848 [0,2,0,0,0,0|0,0,0]=2 1217 B14R1.536 CCC(CC1=CC=C(C=C1)N)C(=O)O Z1262539468 [0,2,0,0,0,0|1,0,0]=3 1218 B14R1.536 NCC(CC1=CC=C(C=C1)Cl)C(=O)O Z1222331429 [0,2,0,0,0,0|1,0,0]=3 1219 B14R1.536 NCC(CC1=CC=C(C=C1)F)C(=O)N Z367446796 [0,2,0,0,0,0|2,0,0]=4 1220 B14R1.536 NCC(OC1=CC=C(C=C1)F)C(=O)O Z1508667025 [0,2,0,0,0,0|2,0,0]=4 1221 B14R1.686 CC(CC1=CC(=C(C=C1)F)Br)C(=O)O Z756390562 [0,2,0,0,0,0|1,0,0]=3 1222 B14R1.686 CC(CC1=CC(=C(C=C1)F)F)C(=O)O Z1341747667 [0,2,0,0,0,0|1,0,0]=3 1223 B14R1.686 CC(CC1=CC(=C(C=C1)O)O)C(=O)O Z1198162859 [0,2,0,0,0,0|1,0,0]=3 1224 B14R1.686 CC(OC1=CC(=C(C=C1)Cl)Cl)C(=O)O Z65558816 [0,2,0,0,0,0|2,0,0]=4 1225 B14R1.686 CC(OC1=CC(=C(C=C1)F)F)C(=O)O Z228583520 [0,2,0,0,0,0|2,0,0]=4 1226 B14R1.686 CC(SC1=CC(=C(C=C1)F)F)C(=O)O Z92657116 [0,2,0,0,0,0|2,0,0]=4 1227 B14R1.686 CC1=C(C=C(C=C1)CC(N)C(=O)O)C Z2238618571 [0,2,0,0,0,0|0,0,0]=2 1228 B14R1.686 CC1=C(C=C(C=C1)CC(S)C(=O)O)C Z57982188 [0,2,0,0,0,0|0,0,0]=2 1229 B14R1.686 CC1=C(C=C(C=C1)NC(=O)C(=O)O)C Z57980332 [0,2,0,0,0,0|1,0,1]=4 1230 B14R1.686 CC1=C(C=CC(=C1)OC(C)C(=O)O)Cl Z149187304 [0,2,0,0,0,0|2,0,0]=4 1231 B14R1.686 NC(CC1=CC(=C(C=C1)Cl)Cl)C(=O)O Z317025744 [0,2,0,0,0,0|1,0,0]=3 1232 B14R1.686 NC(CC1=CC(=C(C=C1)F)Cl)C(=O)O Z5185412106 [0,2,0,0,0,0|1,0,0]=3 1233 B14R1.686 N[C@@H](CC1=CC(=C(C=C1)O)Br)C(=O)O Z1269188313 [0,2,0,0,0,0|1,0,0]=3 1234 B14R1.686 N[C@@H](CC1=CC(=C(C=C1)O)I)C(=O)O Z1269198907 [0,2,0,0,0,0|1,0,0]=3 1235 B14R1.686 N[C@@H](CC1=CC(=C(C=C1)O)O)C(=O)O Z756440064 [0,2,0,0,0,0|1,0,0]=3 1236 B14R1.686 N[C@H](CC1=CC(=C(C=C1)F)Cl)C(=O)O Z5212272143 [0,2,0,0,0,0|1,0,0]=3 1237 B14R1.686 N[C@H](CC1=CC(=C(C=C1)O)O)C(=O)O Z1255419382 [0,2,0,0,0,0|1,0,0]=3 1238 B14R1.686 O=C(O)C(=O)CC1=CC(=C(C=C1)Cl)Cl Z234896633 [0,2,0,0,0,0|1,0,1]=4 1239 B14R1.6049 CC(CC1=C(C=C(C=C1)Cl)Cl)C(=O)N Z1148102314 [0,2,0,0,0,0|2,0,0]=4 1240 B14R1.6049 CC(CC1=C(C=C(C=C1)Cl)Cl)C(=O)O Z756390528 [0,2,0,0,0,0|1,0,0]=3 1241 B14R1.6049 CC(NC1=C(C=C(C=C1)Cl)Cl)C(=O)O Z852756828 [0,2,0,0,0,0|2,0,0]=4 1242 B14R1.6049 CC(OC1=C(C=C(C=C1)Br)F)C(=O)O Z65900763 [0,2,0,0,0,0|2,0,0]=4 1243 B14R1.6049 CC(OC1=C(C=C(C=C1)Cl)Br)C(=O)O Z65900097 [0,2,0,0,0,0|2,0,0]=4 1244 B14R1.6049 CC(OC1=C(C=C(C=C1)Cl)Cl)C(=O)O Z57181990 [0,2,0,0,0,0|2,0,0]=4 1245 B14R1.6049 CC(OC1=C(C=C(C=C1)F)Br)C(=O)O Z65900346 [0,2,0,0,0,0|2,0,0]=4 1246 B14R1.6049 CC(OC1=C(C=C(C=C1)F)Cl)C(=O)O Z65572154 [0,2,0,0,0,0|2,0,0]=4 1247 B14R1.6049 CC1=C(C=CC(=C1)Cl)OC(C)C(=O)O Z104496946 [0,2,0,0,0,0|2,0,0]=4 1248 B14R1.6049 CC1=C(C=CC(=C1)Cl)O[C@@H](C)C(=O)O Z1508917184 [0,2,0,0,0,0|2,0,0]=4 1249 B14R1.6049 CC1=C(C=CC(=C1)Cl)O[C@H](C)C(=O)O Z1269231761 [0,2,0,0,0,0|2,0,0]=4 1250 B14R1.6049 CC1=CC(=C(C=C1)OC(C)C(=O)N)C Z17497851 [0,2,0,0,0,0|2,0,0]=4 1251 B14R1.6049 CC1=CC(=C(C=C1)OC(C)C(=O)O)Br Z228583550 [0,2,0,0,0,0|1,0,0]=3 1252 B14R1.6049 CC1=CC(=C(C=C1)OC(C)C(=O)O)C Z228583516 [0,2,0,0,0,0|1,0,0]=3 1253 B14R1.6049 CC1=CC(=C(C=C1)SC(C)C(=O)N)C Z25047544 [0,2,0,0,0,0|2,0,0]=4 1254 B14R1.6049 C[C@H](OC1=C(C=C(C=C1)Cl)Cl)C(=O)O Z1269114363 [0,2,0,0,0,0|2,0,0]=4 1255 B14R1.6049 NC(CC1=C(C=C(C=C1)F)F)C(=O)O Z3847441641 [0,2,0,0,0,0|1,0,0]=3 1256 B14R1.7626 CC(C)(CC1=CC=C(C=C1)Br)C(=O)O Z995179700 [0,2,0,0,0,0|1,0,0]=3 1257 B14R1.7626 CC(C)(CC1=CC=C(C=C1)Cl)C(=O)O Z995179626 [0,2,0,0,0,0|1,0,0]=3 1258 B14R1.7626 CC(C)(CC1=CC=C(C=C1)O)C(=O)O Z1376887330 [0,2,0,0,0,0|1,0,0]=3 1259 B14R1.7626 CC(C)(OC1=CC=C(C=C1)Br)C(=O)O Z57229604 [0,2,0,0,0,0|2,0,0]=4 1260 B14R1.7626 CC(C)(OC1=CC=C(C=C1)Cl)C(=O)O Z57727844 [0,2,0,0,0,0|2,0,0]=4 1261 B14R1.7626 CC(C)(OC1=CC=C(C=C1)F)C(=O)O Z57047005 [0,2,0,0,0,0|2,0,0]=4 1262 B14R1.7626 CC(C)(SC1=CC=C(C=C1)Br)C(=O)O Z803539492 [0,2,0,0,0,0|2,0,0]=4 1263 B14R1.7626 CC(N)(CC1=CC=C(C=C1)Br)C(=O)O Z2786605576 [0,2,0,0,0,0|1,0,0]=3 1264 B14R1.7626 CC(N)(CC1=CC=C(C=C1)F)C(=O)O Z2734797269 [0,2,0,0,0,0|1,0,0]=3 1265 B14R1.7626 C[C@](N)(CC1=CC=C(C=C1)O)C(=O)O Z1255434943 [0,2,0,0,0,0|1,0,0]=3 1266 B14R1.1600 COC1=C(C=CC(=C1)Br)CCC(=O)O Z1269243933 [0,2,0,0,0,0|1,0,0]=3 1267 B14R1.1600 COC1=C(C=CC(=C1)C)OCC(=O)O Z56917414 [0,2,0,0,0,0|1,0,0]=3 1268 B14R1.1600 CSC1=C(C=CC(=C1)C)CNC(=O)C Z1401512336 [0,2,0,0,0,0|2,0,0]=4 1269 B14R1.1600 O=CC1=C(C=CC(=C1)Br)OCC(=O)O Z57313879 [0,2,0,0,0,0|2,0,0]=4 1270 B14R1.1600 O=CC1=C(C=CC(=C1)Cl)OCC(=O)O Z57773254 [0,2,0,0,0,0|2,0,0]=4 1271 B14R1.3152 CC1=C(C(=CC(=C1)Br)Cl)OCC(=O)O Z55928805 [0,2,0,0,0,0|2,0,0]=4 1272 B14R1.3152 CC1=C(C(=CC(=C1)Cl)Cl)OCC(=O)O Z57441717 [0,2,0,0,0,0|2,0,0]=4 1273 B14R1.3152 CC1=CC(=C(C(=C1)C)OCC(=O)O)C Z56899215 [0,2,0,0,0,0|1,0,0]=3 1274 B14R1.3152 CC1=CC(=CC(=C1OCC(=O)O)C)Cl Z56904661 [0,2,0,0,0,0|2,0,0]=4 1275 B14R1.3152 CC1=CC(=CC(=O)N1CCC(=O)O)O Z1198180051 [0,2,0,0,0,0|2,0,0]=4 1276 B14R1.3152 CC1=CC(=NC(=O)N1CCC(=O)O)C Z243056744 [0,2,0,0,0,0|2,0,0]=4 1277 B14R1.3152 CC1=NC(=C(C(=O)N1)CCC(=O)O)C Z166605290 [0,2,0,0,0,0|2,0,0]=4 1278 B14R1.3152 O=C(O)CCC1=C(C=C(C=C1Cl)Cl)Cl Z3583030580 [0,2,0,0,0,0|1,0,0]=3 1279 B14R1.3152 O=C(O)COC1=C(C=C(C=C1Cl)Cl)Cl Z228583320 [0,2,0,0,0,0|2,0,0]=4 1280 B14R1.6036 CC1=C(C=C(C(=C1)Cl)O)OCC(=O)O Z1209414410 [0,2,0,0,0,0|2,0,0]=4 1281 B14R1.6036 CC1=CC(=C(C=C1/C=C/C(=O)O)C)C Z363999626 [0,2,0,0,0,0|0,0,2]=4 1282 B14R1.6036 CC1=CC(=C(C=C1SCC(=O)O)C)Br Z56779304 [0,2,0,0,0,0|2,0,0]=4 1283 B14R1.6036 O=C(O)COC1=C(C=C(C(=C1)Cl)Cl)Cl Z57048946 [0,2,0,0,0,0|2,0,0]=4 1284 B14R1.6059 O=C(O)COC1=C(C(=C(C=C1)Br)F)F Z3183344767 [0,2,0,0,0,0|2,0,0]=4 1285 B14R1.6059 O=C(O)CSC1=C(C(=C(C=C1)Cl)Cl)Cl Z56784676 [0,2,0,0,0,0|2,0,0]=4 1286 B14R1.42 CCC1=C(C=CC(=C1)OCC(=O)O)Cl Z228583428 [0,2,0,0,0,0|2,0,0]=4 1287 B14R1.42 COC1=C(C=CC(=C1)CCC(=O)C)O Z1255442373 [0,2,0,0,0,0|2,0,0]=4 1288 B14R1.42 COC1=C(C=CC(=C1)CCC(=O)O)Cl Z1269146778 [0,2,0,0,0,0|1,0,0]=3 1289 B14R1.42 COC1=C(C=CC(=C1)CCC(=O)O)O Z317038020 [0,2,0,0,0,0|1,0,0]=3 1290 B14R1.42 O=CC1=C(C=CC(=C1)CCC(=O)O)O Z1262519251 [0,2,0,0,0,0|1,0,0]=3 1291 B14R1.15552 CC1=CC(=CC(=C1Cl)C)OCC(=O)O Z57396497 [0,2,0,0,0,0|2,0,0]=4 1292 B14R1.15552 O=C(O)CCC1=CC(=C(C(=C1)F)F)F Z1080514026 [0,2,0,0,0,0|1,0,0]=3 1293 B12R1.127 CC1=CC(=C(C=C1)Br)CC(=O)O Z1269198963 [0,0,1,1,0,0|1,0,1]=4 1294 B12R1.127 CC1=CC(=C(C=C1)C)CC(=O)O Z234894443 [0,0,1,1,0,0|0,0,2]=4 1295 B12R1.127 CC1=CC(=C(C=C1)F)CC(=O)O Z982130030 [0,0,1,1,0,0|1,0,1]=4 1296 B12R1.127 CC1=CN(C(=O)C=C1)CC(=O)O Z1255387472 [0,0,1,1,0,0|2,0,0]=4 1297 B12R1.105 CC1=CC=C(S1)CCCC(=O)O Z336285944 [0,0,1,1,0,0|1,0,1]=4 1298 B12R1.224 CC1=C(C(=CC=C1)CC(=O)O)Br Z1269227300 [0,0,1,1,0,0|1,0,1]=4 1299 B12R1.224 CC1=C(C(=CC=C1)CC(=O)O)Cl Z1198264659 [0,0,1,1,0,0|1,0,1]=4 1300 B12R1.224 CC1=CC=CN(C1=O)CC(=O)O Z1096152374 [0,0,1,1,0,0|2,0,0]=4 1301 B12R2.24 CC1=CC2=C(C=C1)CCCN2 Z1166113428 [1,0,0,1,0,0|1,0,1]=4 1302 B12R2.24 CC1=CC2=C(C=C1)NCCO2 Z1203731551 [1,0,0,1,0,0|1,0,1]=4 1303 B12R2.79 CC1=CC=C(C=C1)[C@@H]2C[C@H]2N Z2380468351 [1,0,0,1,0,0|1,0,1]=4 1304 B12R2.132 CC1=CC2=C(C=C1)CCC2=O Z814904824 [1,0,0,1,0,0|0,0,0]=2 1305 B12R2.132 CC1=CC2=C(C=C1)CCC2N Z1259339087 [1,0,0,1,0,0|1,0,1]=4 1306 B12R2.132 CC1=CC2=C(C=C1)COB2O Z1939443826 [1,0,0,1,0,0|2,0,0]=4 1307 B12R2.132 CC1=CC2=C(C=C1)COC2=O Z1255391985 [1,0,0,1,0,0|1,0,0]=3 1308 B12R2.132 NC1=CC2=C(C=C1)CCC2=O Z1201619096 [1,0,0,1,0,0|1,0,0]=3 1309 B12R2.132 NC1=CC2=C(C=C1)CCC2O Z1203584428 [1,0,0,1,0,0|1,0,1]=4 1310 B12R2.132 NC1=CC2=C(C=C1)CNC2=O Z234898249 [1,0,0,1,0,0|2,0,0]=4 1311 B12R2.132 NC1=CC2=C(C=C1)COC2=O Z276599558 [1,0,0,1,0,0|2,0,0]=4 1312 B12R2.132 O=C1CCC2=C1C=C(C=C2)F Z814904728 [1,0,0,1,0,0|1,0,0]=3 1313 B12R2.132 O=C1CCC2=C1C=C(C=C2)I Z1269230336 [1,0,0,1,0,0|1,0,0]=3 1314 B12R2.132 O=C1CCC2=C1N=C(C=C2)Br Z1269185023 [1,0,0,1,0,0|2,0,0]=4 1315 B12R2.132 O=C1CCC2=C1N=C(C=C2)Cl Z1255439731 [1,0,0,1,0,0|2,0,0]=4 1316 B12R2.132 O=C1COC2=C1C=C(C=C2)Cl Z334863058 [1,0,0,1,0,0|2,0,0]=4 1317 B12R2.132 O=C1COC2=C1C=C(C=C2)F Z334863052 [1,0,0,1,0,0|2,0,0]=4 1318 B12R2.132 O=C1NCC2=C1C=C(C=C2)Br Z1269144955 [1,0,0,1,0,0|2,0,0]=4 1319 B12R2.132 O=C1NCC2=C1C=C(C=C2)Cl Z1198176504 [1,0,0,1,0,0|2,0,0]=4 1320 B12R2.132 O=C1NCC2=C1C=C(C=C2)F Z1198221016 [1,0,0,1,0,0|2,0,0]=4 1321 B12R2.132 O=C1NCC2=C1C=C(C=C2)I Z1269110301 [1,0,0,1,0,0|2,0,0]=4 1322 B12R2.132 O=C1NCC2=C1C=C(C=C2)O Z1198177071 [1,0,0,1,0,0|2,0,0]=4 1323 B12R2.132 O=C1OCC2=C1C=C(C=C2)Br Z1258932820 [1,0,0,1,0,0|2,0,0]=4 1324 B12R2.132 O=C1OCC2=C1C=C(C=C2)F Z1198309551 [1,0,0,1,0,0|2,0,0]=4 1325 B12R2.132 O=C1OCC2=C1C=C(C=C2)O Z1198181162 [1,0,0,1,0,0|2,0,0]=4 1326 B12R2.132 OC1CCC2=C1C=C(C=C2)F Z815114600 [1,0,0,1,0,0|1,0,1]=4 1327 B12R2.294 BrC1=CC=C(C=C1)CC2CO2 Z2523466484 [1,0,0,1,0,0|1,0,1]=4 1328 B12R2.294 FC1=CC=C(C=C1)CC2CO2 Z1495386285 [1,0,0,1,0,0|1,0,1]=4 1329 B12R2.22 O=C1CC(C1)C2=CC=CC=C2 Z336080338 [1,0,0,1,0,0|1,0,0]=3 1330 B12R2.22 O=C1CC(N1)C2=CC=CC=C2 Z367677412 [1,0,0,1,0,0|1,0,0]=3 1331 B12R2.22 OC1CC(C1)C2=CC=CC=C2 Z501748204 [1,0,0,1,0,0|1,0,1]=4 1332 B12R2.22 O[C@H]1C[C@H](C1)C2=CC=CC=C2 Z1504675336 [1,0,0,1,0,0|1,0,1]=4 1333 B12R2.2057 C1=CC=C(C=C1)CCC2CO2 Z1033258586 [1,0,0,1,0,0|1,0,1]=4 1334 B12R2.2403 CC1(CCC2=C1C=CC=C2)O Z449370928 [1,0,0,1,0,0|1,0,1]=4 1335 B12R2.2403 N=S1(=O)CCC2=C1C=CC=C2 Z2514148544 [1,0,0,1,0,0|2,0,0]=4 1336 B12R2.3190 N=C(N)C1CC2=C1C=CC=C2 Z1613477992 [1,0,0,1,0,0|2,0,0]=4 1337 B12R2.606 CC1=CC2=C(C=C1)N=C(O2)N Z979487656 [0,0,0,1,1,0|2,0,0]=4 1338 B12R2.606 CC1=CC2=C(C=C1)OC(=O)N2 Z274568258 [0,0,0,1,1,0|2,0,0]=4 1339 B12R2.606 NC1=CC2=C(C=C1)CC(=O)N2 Z2805701617 [0,0,0,1,1,0|2,0,0]=4 1340 B12R2.606 O=C1CC2=C(N1)C=C(C=C2)Cl Z56922083 [0,0,0,1,1,0|2,0,0]=4 1341 B12R2.606 O=C1NC2=C(O1)C=C(C=C2)Br Z381351238 [0,0,0,1,1,0|2,0,0]=4 1342 B12R2.606 O=C1NC2=C(O1)C=C(C=C2)Cl Z99599674 [0,0,0,1,1,0|2,0,0]=4 1343 B12R2.606 O=C1NC2=C(O1)C=C(C=C2)I Z1269166325 [0,0,0,1,1,0|2,0,0]=4 1344 B12R2.606 O=C1OC2=C(O1)C=C(C=C2)Br Z1269212344 [0,0,0,1,1,0|2,0,0]=4 1345 B12R2.606 O=C1OC2=C(O1)C=C(C=C2)O Z1198726972 [0,0,0,1,1,0|2,0,0]=4 1346 B12R2.606 O=C1OC2=C(S1)C=CC(=C2)O Z104483034 [0,0,0,1,1,0|2,0,0]=4 1347 B14R2.20 CC1=CC=C(C=C1)C2CNC(=O)C2 Z1251360848 [0,0,0,1,0,1|1,0,0]=3 1348 B14R2.20 CC1=CC=C(C=C1)N2CCC(C2)O Z1238571333 [0,0,0,1,0,1|1,0,1]=4 1349 B14R2.20 NC1=CC=C(C=C1)C2CCC(=O)N2 Z1258979785 [0,0,0,1,0,1|2,0,0]=4 1350 B14R2.20 NC1=CC=C(C=C1)C2CNC(=O)C2 Z1255362676 [0,0,0,1,0,1|2,0,0]=4 1351 B14R2.20 NC1=NCC(O1)C2=CC=C(C=C2)Cl Z1198155407 [0,0,0,1,0,1|2,0,0]=4 1352 B14R2.20 O=C1CC(CN1)C2=CC=C(C=C2)Br Z1269215863 [0,0,0,1,0,1|2,0,0]=4 1353 B14R2.20 O=C1CC(CN1)C2=CC=C(C=C2)F Z1198162881 [0,0,0,1,0,1|2,0,0]=4 1354 B14R2.20 O=C1CCC(N1)C2=CC=C(C=C2)Br Z1269201959 [0,0,0,1,0,1|2,0,0]=4 1355 B14R2.20 O=C1CCC(N1)C2=CC=C(C=C2)F Z1255385257 [0,0,0,1,0,1|2,0,0]=4 1356 B14R2.20 O=C1COC(C1)C2=CC=C(C=C2)Br Z2489377578 [0,0,0,1,0,1|2,0,0]=4 1357 B14R2.20 O=C1NC(CO1)C2=CC=C(C=C2)Br Z1266873491 [0,0,0,1,0,1|2,0,0]=4 1358 B14R2.380 NC1=CC2=C(C=C1)CCCC(=O)N2 Z1198163907 [0,0,0,1,0,1|2,0,0]=4 1359 B14R2.380 O=C1CC2=C(C=CC(=C2)O)CCN1 Z1509152364 [0,0,0,1,0,1|2,0,0]=4 1360 B14R2.380 O=C1CCCC2=C(N1)C=C(C=C2)Br Z1269216719 [0,0,0,1,0,1|2,0,0]=4 1361 B14R2.380 O=C1CCCC2=C(N1)C=C(C=C2)F Z1251362337 [0,0,0,1,0,1|2,0,0]=4 1362 B14R2.380 O=C1CCNC2=C(N1)C=C(C=C2)F Z1227766123 [0,0,0,1,0,1|2,0,0]=4 1363 B14R2.380 O=C1CCOC2=C(N1)C=C(C=C2)Br Z1269121360 [0,0,0,1,0,1|2,0,0]=4 1364 B14R2.380 O=C1COCC2=C(N1)C=C(C=C2)Br Z3681810391 [0,0,0,1,0,1|2,0,0]=4 1365 B14R2.380 O=C1CSCC2=C(N1)C=C(C=C2)Br Z5336175958 [0,0,0,1,0,1|2,0,0]=4 1366 B14R2.947 NC1=CC=C(C=C1)OC2CC(=O)N2 Z2234197896 [0,0,0,1,0,1|2,0,0]=4 1367 B14R2.947 O=C1CC(N1)OC2=CC=C(C=C2)Br Z2289799378 [0,0,0,1,0,1|2,0,0]=4 1368 B14R2.4402 CC(=O)C1CC1C2=CC=C(C=C2)F Z370707900 [0,0,0,1,0,1|2,0,0]=4 1369 B14R2.4402 CC1=CC=C(C=C1)C2CC2C(=O)O Z450468392 [0,0,0,1,0,1|0,0,0]=2 1370 B14R2.4402 NC1=CC=C(C=C1)[C@@H]2C[C@H]2C(=O)O Z2309896677 [0,0,0,1,0,1|1,0,0]=3 1371 B14R2.4402 O=C(O)C1CC1C2=CC=C(C=C2)Br Z450468406 [0,0,0,1,0,1|1,0,0]=3 1372 B14R2.4402 O=C(O)C1CC1C2=CC=C(C=C2)F Z203244232 [0,0,0,1,0,1|1,0,0]=3 1373 B14R2.4402 O=C(O)[C@@H]1C[C@H]1C2=CC=C(C=C2)Cl Z2306910175 [0,0,0,1,0,1|1,0,0]=3 1374 B14R2.4402 O=C(O)[C@@H]1C[C@H]1C2=CC=C(C=C2)F Z2327124588 [0,0,0,1,0,1|1,0,0]=3 1375 B14R2.5816 CC1=CC2=C(C=C1)NC=C2C(=O)O Z1138836780 [0,0,0,1,0,1|0,0,2]=4 1376 B14R2.5816 CC1=CC2=C(C=C1)NN=C2C(=O)O Z359384098 [0,0,0,1,0,1|1,0,1]=4 1377 B14R2.5816 CC1=CC2=C(C=C1)OC=C2C(=O)O Z1262557910 [0,0,0,1,0,1|0,0,2]=4 1378 B14R2.5816 CC1=CC2=C(C=C1)SC=C2C(=O)O Z1262514539 [0,0,0,1,0,1|0,0,2]=4 1379 B14R2.5816 CC1=CC2=C(C=C1)SN=C2C(=O)O Z1201628920 [0,0,0,1,0,1|1,0,1]=4 1380 B14R2.5816 NC(=O)N1CCC2=C1C=C(C=C2)N Z332726342 [0,0,0,1,0,1|2,0,0]=4 1381 B14R2.5816 O=C(O)C1CCC2=C1C=C(C=C2)Br Z1269194102 [0,0,0,1,0,1|1,0,0]=3 1382 B14R2.5816 O=C(O)C1COC2=C1C=C(C=C2)Br Z1269233195 [0,0,0,1,0,1|1,0,0]=3 1383 B14R2.5816 O=C(O)C1COC2=C1C=C(C=C2)Cl Z1198276236 [0,0,0,1,0,1|1,0,0]=3 1384 B14R2.134 COC1=CC2=C(C=C1)CCC(=O)C2 Z1255485170 [0,1,0,1,0,0|1,0,0]=3 1385 B14R2.134 COC1=CC2=C(C=C1)CCC(=O)N2 Z1255498178 [0,1,0,1,0,0|1,0,0]=3 1386 B14R2.134 COC1=CC2=C(C=C1)OCC(=O)N2 Z1198176733 [0,1,0,1,0,0|2,0,0]=4 1387 B14R2.134 COC1=CC2=C(C=CC(=O)O2)C=C1 Z53852417 [0,1,0,1,0,0|0,0,2]=4 1388 B14R2.4400 CC1=CC=C(C=C1)C2NC(=O)C2C Z1273099352 [0,1,0,1,0,0|1,0,0]=3 1389 B14R2.4513 CN1C(=O)CCC2=C1C=C(C=C2)F Z1813181812 [0,1,0,1,0,0|2,0,0]=4 1390 B14R2.4513 O=C1CCC2=C(N1)C(=C(C=C2)Cl)Cl Z1443549788 [0,1,0,1,0,0|2,0,0]=4 1391 B14R2.29365 CC1=C2CCC(=O)NC2=CC(=C1)Br Z3243504885 [0,1,0,1,0,0|2,0,0]=4 1392 B14R2.29365 CC1=CC2=C(OCC(=O)N2)C(=C1)C Z2471262545 [0,1,0,1,0,0|2,0,0]=4 1393 B14R2.29365 CC1CC(=O)OC2=C1C=CC(=C2)O Z1513808003 [0,1,0,1,0,0|1,0,0]=3 1394 B14R2.29365 O=C1CCC2=C(N1)C=C(C=C2Br)Cl Z1981870594 [0,1,0,1,0,0|2,0,0]=4 1395 B14R2.29365 O=C1CCC2=C(N1)C=C(C=C2Br)F Z2935741174 [0,1,0,1,0,0|2,0,0]=4 1396 B14R2.4529 CC1=CC2=C(C=C1)C=C(N2)C(=O)O Z119989628 [0,1,0,1,0,0|0,0,2]=4 1397 B14R2.4529 CC1=CC2=C(C=C1)CC(S2)C(=O)O Z223677100 [0,1,0,1,0,0|0,0,0]=2 1398 B14R2.4529 CC1=CC2=C(C=C1)NC(=C2)C(=O)O Z235352033 [0,1,0,1,0,0|1,0,1]=4 1399 B14R2.4529 CC1=CC2=C(C=C1)OC(=C2)C(=O)O Z274568060 [0,1,0,1,0,0|1,0,1]=4 1400 B14R2.4529 CC1=CC2=C(C=C1)SC(=C2)C(=O)O Z1201623026 [0,1,0,1,0,0|1,0,1]=4 1401 B14R2.4529 NC1=CC2=C(C=C1)NC(C2)C(=O)O Z3325140518 [0,1,0,1,0,0|2,0,0]=4 1402 B14R2.4529 O=C(O)C1CC2=C(C1)C=C(C=C2)F Z1262528526 [0,1,0,1,0,0|1,0,0]=3 1403 B14R2.4529 O=C(O)C1CC2=C(C1)N=CC(=C2)Br Z3301448719 [0,1,0,1,0,0|2,0,0]=4 1404 B14R2.4529 O=C(O)C1CC2=C(O1)C=C(C=C2)Br Z2751941707 [0,1,0,1,0,0|1,0,0]=3 1405 B14R2.4529 O=C(O)C1CC2=C(O1)C=CC(=C2)Br Z1269223909 [0,1,0,1,0,0|2,0,0]=4 1406 B14R2.4529 O=C(O)C1CC2=C(O1)C=CC(=C2)Cl Z104341198 [0,1,0,1,0,0|2,0,0]=4 1407 B14R2.8239 CC1=CC2=C(C=C1)OC(C(=O)N2)C Z274567878 [0,1,0,1,0,0|2,0,0]=4 1408 B14R2.8239 NC1=C(C=C2CCC(=O)NC2=C1)Br Z1704732926 [0,1,0,1,0,0|2,0,0]=4 1409 B14R2.8239 NC1=C(C=C2CCC(=O)NC2=C1)F Z335455238 [0,1,0,1,0,0|2,0,0]=4 1410 B14R2.8239 NC1=C(C=C2NC(=O)CCC2=C1)F Z419114990 [0,1,0,1,0,0|2,0,0]=4 1411 B14R2.8239 NC1=C(C=C2NC(=O)CCC2=C1)O Z425351774 [0,1,0,1,0,0|2,0,0]=4 1412 B14R2.8239 NC1CC2=C(C=C(C=C2)Br)NC1=O Z2651689853 [0,1,0,1,0,0|2,0,0]=4 1413 B14R2.8239 O=C1CCC2=CC(=C(C=C2N1)F)Br Z425366008 [0,1,0,1,0,0|2,0,0]=4 1414 B14R2.9193 O=C1CC(C1)C2=C(C=C(C=C2)Br)F Z1558353246 [0,1,0,1,0,0|2,0,0]=4 1415 B14R2.9193 O=C1CC(N1)C2=C(C=C(C=C2)Br)F Z1238837497 [0,1,0,1,0,0|2,0,0]=4 1416 B14R2.7933 O=C(O)C1CC2=C1C=C(C(=C2)F)O Z4959121917 [0,1,0,1,0,0|1,0,0]=3 1417 B10R1.16 CN1C=C(C=N1)CCC=O Z993017784 [1,0,0,0,1,0|2,0,0]=4 1418 B10R1.18 CC(=O)CC1=CC=NC=C1 Z992409812 [1,0,0,0,1,0|2,0,0]=4 1419 B10R1.18 CC(=O)NC1=CC=CC=C1 Z27782600 [1,0,0,0,1,0|2,0,0]=4 1420 B10R1.18 CC(O)CC1=CC=CC=C1 Z513749298 [1,0,0,0,1,0|1,0,1]=4 1421 B10R1.18 N=C(N)CC1=CC=CC=C1 Z600428462 [1,0,0,0,1,0|2,0,0]=4 1422 B10R1.18 NC(=O)CC1=CC=CC=C1 Z33546508 [1,0,0,0,1,0|1,0,0]=3 1423 B10R1.18 NC(=O)CC1=CC=NC=C1 Z234895093 [1,0,0,0,1,0|2,0,0]=4 1424 B10R1.18 NC(=O)OC1=CC=CC=C1 Z33547080 [1,0,0,0,1,0|2,0,0]=4 1425 B10R1.18 NC(=S)CC1=CC=CC=C1 Z56928578 [1,0,0,0,1,0|1,1,0]=4 1426 B10R1.18 O=C(O)CC1=CC=NC=C1 Z271099418 [1,0,0,0,1,0|1,0,0]=3 1427 B10R1.18 O=C(O)CC1=CN=CC=C1 Z285131558 [1,0,0,0,1,0|1,0,0]=3 1428 B10R1.18 O=C(O)CC1=CN=CN=C1 Z1889902548 [1,0,0,0,1,0|2,0,0]=4 1429 B10R1.18 O=S(O)CC1=CC=CC=C1 Z3211806022 [1,0,0,0,1,0|1,0,0]=3 1430 B10R1.18 O=[N+]([O-])CC1=CC=CC=C1 Z995236210 [1,0,0,0,1,0|1,0,1]=4 1431 B10R1.18 OB(O)CC1=CC=CC=C1 Z1147227831 [1,0,0,0,1,0|1,0,1]=4 1432 B10R1.66 CC(=O)CCC1=CSC=C1 Z444869186 [1,0,0,0,1,0|2,0,0]=4 1433 B10R1.66 O=C(O)CCC1=CC=CS1 Z57052863 [1,0,0,0,1,0|1,0,0]=3 1434 B10R1.66 O=C(O)CCC1=CC=NN1 Z3063833168 [1,0,0,0,1,0|2,0,0]=4 1435 B10R1.66 O=C(O)CCC1=CN=CO1 Z1255388483 [1,0,0,0,1,0|2,0,0]=4 1436 B10R1.66 O=C(O)CCC1=CNC=N1 Z1770193418 [1,0,0,0,1,0|2,0,0]=4 1437 B10R1.66 O=C(O)CCC1=CNN=C1 Z2251841401 [1,0,0,0,1,0|2,0,0]=4 1438 B10R1.66 O=C(O)CCC1=COC=C1 Z1098234501 [1,0,0,0,1,0|1,0,0]=3 1439 B10R1.66 O=C(O)CCC1=CON=C1 Z1205656268 [1,0,0,0,1,0|2,0,0]=4 1440 B10R1.66 O=C(O)CCC1=CSC=C1 Z85923469 [1,0,0,0,1,0|1,0,0]=3 1441 B10R1.66 O=C(O)CCC1=CSC=N1 Z381407422 [1,0,0,0,1,0|2,0,0]=4 1442 B10R1.66 O=C(O)CCC1=NC=CN1 Z1913661002 [1,0,0,0,1,0|2,0,0]=4 1443 B10R1.66 O=C(O)CCC1=NC=CS1 Z381407426 [1,0,0,0,1,0|2,0,0]=4 1444 B10R1.66 O=C(O)CCC1=NOC=C1 Z1198279853 [1,0,0,0,1,0|2,0,0]=4 1445 B10R1.66 O=C(O)CCN1C=CC=C1 Z245326706 [1,0,0,0,1,0|1,0,0]=3 1446 B10R1.66 O=C(O)CCN1C=CC=N1 Z220346786 [1,0,0,0,1,0|2,0,0]=4 1447 B10R1.66 O=C(O)CCN1C=CN=C1 Z53111117 [1,0,0,0,1,0|2,0,0]=4 1448 B10R1.66 O=C(O)COC1=CSC=C1 Z1262541445 [1,0,0,0,1,0|2,0,0]=4 1449 B10R1.13 CC(=O)C1=CC=C(C=C1)Br Z57127459 [0,0,0,0,2,0|2,0,0]=4 1450 B10R1.13 CC(=O)C1=CC=C(C=C1)C Z57127458 [0,0,0,0,2,0|1,0,0]=3 1451 B10R1.13 CC(=O)C1=CC=C(C=C1)Cl Z57127462 [0,0,0,0,2,0|2,0,0]=4 1452 B10R1.13 CC(=O)C1=CC=C(C=C1)F Z57127466 [0,0,0,0,2,0|2,0,0]=4 1453 B10R1.13 CC(=O)C1=CC=C(C=C1)I Z57073725 [0,0,0,0,2,0|2,0,0]=4 1454 B10R1.13 CC(=O)C1=CC=C(C=C1)N Z57127377 [0,0,0,0,2,0|2,0,0]=4 1455 B10R1.13 CC(=O)C1=CC=C(C=C1)O Z57040434 [0,0,0,0,2,0|2,0,0]=4 1456 B10R1.13 CC1=CC=C(C=C1)B(O)O Z336079532 [0,0,0,0,2,0|1,0,1]=4 1457 B10R1.13 CC1=CC=C(C=C1)C(=N)N Z1405445841 [0,0,0,0,2,0|2,0,0]=4 1458 B10R1.13 CC1=CC=C(C=C1)C(=O)O Z57902424 [0,0,0,0,2,0|0,0,0]=2 1459 B10R1.13 CC1=CC=C(C=C1)C(=S)N Z56939152 [0,0,0,0,2,0|1,1,0]=4 1460 B10R1.13 CC1=CC=C(C=C1)[C@@H](C)O Z1127664396 [0,0,0,0,2,0|1,0,1]=4 1461 B10R1.13 CC1=CC=C(C=C1)[C@H](C)O Z1127664278 [0,0,0,0,2,0|1,0,1]=4 1462 B10R1.13 CC1=CC=C(C=C1)[N+](=O)[O-] Z104476692 [0,0,0,0,2,0|1,0,1]=4 1463 B10R1.13 CC1=CC=C(C=C1)[S-](=O)=O Z104501328 [0,0,0,0,2,0|1,0,1]=4 1464 B10R1.13 CC1=CN=C(C=C1)C(=O)O Z1511494596 [0,0,0,0,2,0|1,0,0]=3 1465 B10R1.13 CC1=CN=C(N=C1)C(=O)O Z1198261922 [0,0,0,0,2,0|2,0,0]=4 1466 B10R1.13 CC1=NC=C(C=C1)C(=O)N Z57493539 [0,0,0,0,2,0|2,0,0]=4 1467 B10R1.13 CC1=NC=C(C=C1)C(=O)O Z235485476 [0,0,0,0,2,0|1,0,0]=3 1468 B10R1.13 CC1=NC=C(N=C1)C(=O)O Z104478058 [0,0,0,0,2,0|2,0,0]=4 1469 B10R1.13 CC1=NN=C(C=C1)C(=O)O Z1198232969 [0,0,0,0,2,0|2,0,0]=4 1470 B10R1.13 NC(=O)C1=CC=C(C=C1)Br Z33546526 [0,0,0,0,2,0|2,0,0]=4 1471 B10R1.13 NC(=O)C1=CC=C(C=C1)F Z33546459 [0,0,0,0,2,0|2,0,0]=4 1472 B10R1.13 NC(=O)C1=CC=C(C=C1)I Z33546486 [0,0,0,0,2,0|2,0,0]=4 1473 B10R1.13 NC(=O)C1=CC=C(C=C1)N Z104474782 [0,0,0,0,2,0|2,0,0]=4 1474 B10R1.13 NC(=O)C1=CC=C(C=C1)O Z104502228 [0,0,0,0,2,0|2,0,0]=4 1475 B10R1.13 NC1=CC=C(C=C1)C(=O)O Z57127446 [0,0,0,0,2,0|1,0,0]=3 1476 B10R1.13 NC1=CN=C(C=C1)C(=O)O Z1649677869 [0,0,0,0,2,0|2,0,0]=4 1477 B10R1.13 NC1=NC=C(C=C1)C(=O)O Z90122558 [0,0,0,0,2,0|2,0,0]=4 1478 B10R1.13 O=C(O)C1=CC=C(C=C1)Br Z57127530 [0,0,0,0,2,0|1,0,0]=3 1479 B10R1.13 O=C(O)C1=CC=C(C=C1)Cl Z104473324 [0,0,0,0,2,0|1,0,0]=3 1480 B10R1.13 O=C(O)C1=CC=C(C=C1)F Z57367354 [0,0,0,0,2,0|1,0,0]=3 1481 B10R1.13 O=C(O)C1=CC=C(C=C1)I Z57636572 [0,0,0,0,2,0|1,0,0]=3 1482 B10R1.13 O=C(O)C1=CC=C(C=C1)O Z104498098 [0,0,0,0,2,0|1,0,0]=3 1483 B10R1.13 O=C(O)C1=CC=C(C=C1)S Z223639246 [0,0,0,0,2,0|1,0,0]=3 1484 B10R1.13 O=C(O)C1=CN=C(C=C1)Br Z1258919772 [0,0,0,0,2,0|2,0,0]=4 1485 B10R1.13 O=C(O)C1=CN=C(C=C1)Cl Z104476110 [0,0,0,0,2,0|2,0,0]=4 1486 B10R1.13 O=C(O)C1=CN=C(C=C1)F Z1182395505 [0,0,0,0,2,0|2,0,0]=4 1487 B10R1.13 O=C(O)C1=CN=C(C=C1)O Z104500708 [0,0,0,0,2,0|2,0,0]=4 1488 B10R1.13 O=C(O)C1=NC=C(C=C1)Br Z972791012 [0,0,0,0,2,0|2,0,0]=4 1489 B10R1.13 O=C(O)C1=NC=C(C=C1)Cl Z1201622823 [0,0,0,0,2,0|2,0,0]=4 1490 B10R1.13 O=C(O)C1=NC=C(C=C1)I Z1069125846 [0,0,0,0,2,0|2,0,0]=4 1491 B10R1.13 O=C1C=CC(=CO1)C(=O)O Z104472302 [0,0,0,0,2,0|2,0,0]=4 1492 B10R1.13 O=P(O)C1=CC=C(C=C1)Cl Z56798029 [0,0,0,0,2,0|2,0,0]=4 1493 B10R1.54 CC1=CC(=NO1)CC(=O)O Z1194052187 [0,0,0,0,2,0|2,0,0]=4 1494 B10R1.54 CC1=CC=C(O1)CC(=O)O Z978942572 [0,0,0,0,2,0|1,0,0]=3 1495 B10R1.54 CC1=CC=C(S1)CC(=O)O Z362118824 [0,0,0,0,2,0|1,0,0]=3 1496 B10R1.54 CC1=CN(N=C1)CC(=O)O Z600430806 [0,0,0,0,2,0|2,0,0]=4 1497 B10R1.54 CC1=CNC(=N1)CC(=O)O Z5208005916 [0,0,0,0,2,0|2,0,0]=4 1498 B10R1.54 CC1=CSC(=C1)CC(=O)O Z1255506269 [0,0,0,0,2,0|1,0,0]=3 1499 B10R1.54 CC1=NC(=CN1)CC(=O)O Z3492410978 [0,0,0,0,2,0|2,0,0]=4 1500 B10R1.54 CC1=NC(=CO1)CC(=O)O Z1198274800 [0,0,0,0,2,0|2,0,0]=4 1501 B10R1.54 CC1=NC(=CS1)CC(=O)O Z56946867 [0,0,0,0,2,0|2,0,0]=4 1502 B10R1.54 CC1=NC=C(O1)CC(=O)O Z1416193674 [0,0,0,0,2,0|2,0,0]=4 1503 B10R1.54 CC1=NC=C(S1)CC(=O)O Z275210998 [0,0,0,0,2,0|2,0,0]=4 1504 B10R1.54 CC1=NN(C=C1)CC(=O)O Z2234185636 [0,0,0,0,2,0|2,0,0]=4 1505 B10R1.54 CC1=NNC(=C1)CC(=O)O Z856210714 [0,0,0,0,2,0|2,0,0]=4 1506 B10R1.54 CC1=NOC(=C1)CC(=O)O Z1205493696 [0,0,0,0,2,0|2,0,0]=4 1507 B10R1.54 CC1=NSC(=C1)CC(=O)O Z1262515715 [0,0,0,0,2,0|2,0,0]=4 1508 B10R1.54 CN1C=C(C=N1)CC(=O)O Z382816606 [0,0,0,0,2,0|2,0,0]=4 1509 B10R1.54 CN1C=C[N+](=C1)CC(=O)O Z1255365415 [0,0,0,0,2,0|2,0,0]=4 1510 B10R1.54 O=C(O)CC1=CC=C(S1)Cl Z285575844 [0,0,0,0,2,0|2,0,0]=4 1511 B12R1.252 CC(=O)CCCC1=CN=CC=C1 Z1255405032 [1,0,0,0,0,1|2,0,0]=4 1512 B12R1.252 CC(=O)NCCC1=CC=CC=C1 Z27761567 [1,0,0,0,0,1|1,0,0]=3 1513 B12R1.252 CC(=O)NCCC1=CC=NC=C1 Z1198165525 [1,0,0,0,0,1|2,0,0]=4 1514 B12R1.252 CC(=O)NCCC1=NC=CC=C1 Z32445986 [1,0,0,0,0,1|2,0,0]=4 1515 B12R1.252 CC(=O)NNCC1=CC=CC=C1 Z1726022904 [1,0,0,0,0,1|2,0,0]=4 1516 B12R1.252 CC(O)CNCC1=CC=CC=C1 Z57326978 [1,0,0,0,0,1|1,0,1]=4 1517 B12R1.252 N=C(N)COCC1=CC=CC=C1 Z2574925846 [1,0,0,0,0,1|2,0,0]=4 1518 B12R1.252 N=C(N)CSCC1=CC=CC=C1 Z1795818268 [1,0,0,0,0,1|2,0,0]=4 1519 B12R1.252 NC(=O)CCNC1=CC=CC=C1 Z154666194 [1,0,0,0,0,1|1,0,0]=3 1520 B12R1.252 NC(=O)CCOC1=CC=CC=C1 Z33545291 [1,0,0,0,0,1|1,0,0]=3 1521 B12R1.252 NC(=O)CCSC1=CC=CC=C1 Z33547211 [1,0,0,0,0,1|1,0,0]=3 1522 B12R1.252 NC(=O)CNCC1=CC=CC=C1 Z90608463 [1,0,0,0,0,1|1,0,0]=3 1523 B12R1.252 NC(=O)CNCC1=CN=CC=C1 Z1695669950 [1,0,0,0,0,1|2,0,0]=4 1524 B12R1.252 NC(=O)COCC1=CC=CC=C1 Z52214418 [1,0,0,0,0,1|1,0,0]=3 1525 B12R1.252 NC(=O)NCCC1=CC=CC=C1 Z198194788 [1,0,0,0,0,1|1,0,0]=3 1526 B12R1.252 NC(=O)NCCC1=CN=CC=C1 Z432778234 [1,0,0,0,0,1|2,0,0]=4 1527 B12R1.252 NC(=O)NCCC1=NC=CC=C1 Z198194814 [1,0,0,0,0,1|2,0,0]=4 1528 B12R1.252 NC(=O)NOCC1=CC=CC=C1 Z56787772 [1,0,0,0,0,1|2,0,0]=4 1529 B12R1.252 NC(=S)NCCC1=CC=CC=C1 Z56933803 [1,0,0,0,0,1|1,1,0]=4 1530 B12R1.252 O=C(O)/C=C/SC1=CC=CC=C1 Z104378002 [1,0,0,0,0,1|0,0,2]=4 1531 B12R1.252 O=C(O)CC#CC1=CC=CC=C1 Z976639296 [1,0,0,0,0,1|0,0,1]=3 1532 B12R1.252 O=C(O)CCCC1=CC=CC=C1 Z234895119 [1,0,0,0,0,1|0,0,0]=2 1533 B12R1.252 O=C(O)CCCC1=CC=NC=C1 Z2106608658 [1,0,0,0,0,1|1,0,0]=3 1534 B12R1.252 O=C(O)CCCC1=NC=CC=C1 Z1259273117 [1,0,0,0,0,1|1,0,0]=3 1535 B12R1.252 O=C(O)CCCC1=NC=CN=C1 Z1262554933 [1,0,0,0,0,1|2,0,0]=4 1536 B12R1.252 O=C(O)CCNC1=CC=CC=C1 Z56899128 [1,0,0,0,0,1|0,0,0]=2 1537 B12R1.252 O=C(O)CCNC1=NC=CC=C1 Z285820166 [1,0,0,0,0,1|1,0,0]=3 1538 B12R1.252 O=C(O)CCNC1=NC=CC=N1 Z246310120 [1,0,0,0,0,1|2,0,0]=4 1539 B12R1.252 O=C(O)CCOC1=CC=CC=C1 Z56854475 [1,0,0,0,0,1|0,0,0]=2 1540 B12R1.252 O=C(O)CCOC1=CN=CC=C1 Z336080826 [1,0,0,0,0,1|1,0,0]=3 1541 B12R1.252 O=C(O)CCSC1=CC=CC=C1 Z56821538 [1,0,0,0,0,1|0,0,0]=2 1542 B12R1.252 O=C(O)CCSC1=NC=CC=C1 Z102927312 [1,0,0,0,0,1|1,0,0]=3 1543 B12R1.252 O=C(O)CCSC1=NC=CC=N1 Z102922408 [1,0,0,0,0,1|2,0,0]=4 1544 B12R1.252 O=C(O)CNCC1=CN=CC=C1 Z372854000 [1,0,0,0,0,1|1,0,0]=3 1545 B12R1.252 O=C(O)CNCC1=NC=CC=C1 Z1259041052 [1,0,0,0,0,1|1,0,0]=3 1546 B12R1.252 O=C(O)COCC1=CC=NC=C1 Z1262561205 [1,0,0,0,0,1|1,0,0]=3 1547 B12R1.252 O=C(O)COCC1=CN=CC=C1 Z1262555665 [1,0,0,0,0,1|1,0,0]=3 1548 B12R1.252 O=C(O)COCC1=NC=CC=C1 Z1262528420 [1,0,0,0,0,1|1,0,0]=3 1549 B12R1.252 O=C(O)CSCC1=CC=CC=C1 Z19691777 [1,0,0,0,0,1|0,0,0]=2 1550 B12R1.252 O=C(O)CSCC1=CC=NC=C1 Z228589362 [1,0,0,0,0,1|1,0,0]=3 1551 B12R1.252 O=C(O)CSCC1=CN=CC=C1 Z228589228 [1,0,0,0,0,1|1,0,0]=3 1552 B12R1.252 O=C(O)CSCC1=NC=CC=C1 Z228589018 [1,0,0,0,0,1|1,0,0]=3 1553 B14R1.677 CC(=O)NCCSC1=CC=C(C=C1)C Z90769847 [0,0,0,0,0,2|1,0,0]=3 1554 B14R1.677 CC1=CC=C(C=C1)CCCCC(=O)O Z361415536 [0,0,0,0,0,2|0,0,0]=2 1555 B14R1.677 CC1=CC=C(C=C1)CNCCS(=O)C Z1220772880 [0,0,0,0,0,2|2,0,0]=4 1556 B14R1.677 CC1=CC=C(C=C1)OCCCC(=O)O Z56862234 [0,0,0,0,0,2|0,0,0]=2 1557 B14R1.677 CC1=CC=C(C=C1)SCCCC(=O)O Z285049588 [0,0,0,0,0,2|0,0,0]=2 1558 B14R1.677 NC(=O)CCCCC1=CC=C(C=C1)F Z1704240604 [0,0,0,0,0,2|2,0,0]=4 1559 B14R1.677 NC(=O)CCCOC1=CC=C(C=C1)Br Z33546711 [0,0,0,0,0,2|2,0,0]=4 1560 B14R1.677 NC(=O)CCCOC1=CC=C(C=C1)F Z278515040 [0,0,0,0,0,2|2,0,0]=4 1561 B14R1.677 NC(=O)CCSCC1=CC=C(C=C1)I Z1276482268 [0,0,0,0,0,2|2,0,0]=4 1562 B14R1.677 O=C(O)CCCCC1=CC=C(C=C1)Br Z361415666 [0,0,0,0,0,2|1,0,0]=3 1563 B14R1.677 O=C(O)CCCCC1=CC=C(C=C1)Cl Z361415664 [0,0,0,0,0,2|1,0,0]=3 1564 B14R1.677 O=C(O)CCCCC1=CC=C(C=C1)F Z361415604 [0,0,0,0,0,2|1,0,0]=3 1565 B14R1.677 O=C(O)CCCCC1=CC=C(C=C1)I Z361415654 [0,0,0,0,0,2|1,0,0]=3 1566 B14R1.677 O=C(O)CCCNC1=CC=C(C=C1)I Z362772186 [0,0,0,0,0,2|1,0,0]=3 1567 B14R1.677 O=C(O)CCCOC1=CC=C(C=C1)Br Z56886468 [0,0,0,0,0,2|1,0,0]=3 1568 B14R1.677 O=C(O)CCCOC1=CC=C(C=C1)Cl Z274553116 [0,0,0,0,0,2|1,0,0]=3 1569 B14R1.677 O=C(O)CCCOC1=CC=C(C=C1)F Z235347019 [0,0,0,0,0,2|1,0,0]=3 1570 B14R1.677 O=C(O)CCCOC1=CC=C(C=C1)I Z381427780 [0,0,0,0,0,2|1,0,0]=3 1571 B14R1.677 O=C(O)CCCSC1=CC=C(C=C1)Br Z390051396 [0,0,0,0,0,2|1,0,0]=3 1572 B14R1.677 O=C(O)CCCSC1=CC=C(C=C1)Cl Z56857874 [0,0,0,0,0,2|1,0,0]=3 1573 B14R1.677 O=C(O)CCNCC1=CC=C(C=C1)Cl Z444311410 [0,0,0,0,0,2|1,0,0]=3 1574 B14R1.677 O=C(O)CCNCC1=CC=C(C=C1)F Z444311612 [0,0,0,0,0,2|1,0,0]=3 1575 B14R1.677 O=C(O)COCCC1=CC=C(C=C1)Br Z802811836 [0,0,0,0,0,2|1,0,0]=3