0 B13R1.14 CCC(=O)CSC1=CC=C(C=C1)Cl Z916925670 [0,0,0,0,0,0|1,1,2]=4 1 B13R1.14 CNC(=O)COC1=CC=C(C=C1)Cl Z19727266 [0,0,0,0,0,0|2,0,2]=4 2 B13R1.14 NCC(O)COC1=CC=C(C=C1)F Z271072308 [0,0,0,0,0,0|1,1,0]=2 3 B13R1.14 NCC(O)COC1=CC=C(C=C1)I Z381428032 [0,0,0,0,0,0|1,1,0]=2 4 B13R1.14 NNC(=O)COC1=CC=C(C=C1)Cl Z56862620 [0,0,0,0,0,0|2,0,2]=4 5 B13R1.14 O=C(CCl)COC1=CC=C(C=C1)Cl Z1269140193 [0,0,0,0,0,0|1,0,2]=3 6 B13R1.14 O=C(CO)NCC1=CC=C(C=C1)Cl Z199532110 [0,0,0,0,0,0|2,0,2]=4 7 B13R1.14 OCC(O)COC1=CC=C(C=C1)Cl Z995094004 [0,0,0,0,0,0|0,0,0]=0 8 B13R1.14 OCC(O)CSC1=NC=C(C=C1)Cl Z1206315772 [0,0,0,0,0,0|1,1,0]=2 9 B13R1.14 OCC(O)CSC1=NC=C(C=N1)Br Z1340655372 [0,0,0,0,0,0|2,2,0]=4 10 B12R1.1 CC1=CC=C(C=C1)CNCCO Z57328136 [1,0,0,0,0,0|3,0,0]=4 11 B12R1.1 CC1=CC=C(C=C1)OCCC#N Z54337098 [1,0,0,0,0,0|2,0,1]=4 12 B12R1.1 CC1=CC=C(C=C1)OCCCN Z285166764 [1,0,0,0,0,0|2,0,0]=3 13 B12R1.1 CCCCOC1=CC=C(C=C1)O Z381414690 [1,0,0,0,0,0|2,0,0]=3 14 B12R1.1 CCCCOC1=NC=C(C=C1)N Z409191158 [1,0,0,0,0,0|3,0,0]=4 15 B12R1.1 CNCCOC1=CC=C(C=C1)Br Z55993065 [1,0,0,0,0,0|2,1,0]=4 16 B12R1.1 CNCCOC1=CC=C(C=C1)C Z138105388 [1,0,0,0,0,0|3,0,0]=4 17 B12R1.1 CNCCOC1=CC=C(C=C1)Cl Z56963344 [1,0,0,0,0,0|2,0,0]=3 18 B12R1.1 CNCCOC1=CC=C(C=C1)F Z138105420 [1,0,0,0,0,0|2,1,0]=4 19 B12R1.1 CNCCOC1=CC=C(C=C1)O Z1209979801 [1,0,0,0,0,0|3,0,0]=4 20 B12R1.1 COCCOC1=CC=C(C=C1)Br Z167838728 [1,0,0,0,0,0|2,1,0]=4 21 B12R1.1 COCCOC1=CC=C(C=C1)F Z285938284 [1,0,0,0,0,0|2,1,0]=4 22 B12R1.1 COCCOC1=CC=C(C=C1)O Z381414750 [1,0,0,0,0,0|3,0,0]=4 23 B12R1.1 COCCOC1=CC=C(C=C1)S Z1689885585 [1,0,0,0,0,0|3,0,0]=4 24 B12R1.1 CSCCOC1=CC=C(C=C1)I Z54518503 [1,0,0,0,0,0|2,1,0]=4 25 B12R1.1 ClC1=CC=C(C=C1)OCCCBr Z90122426 [1,0,0,0,0,0|1,0,0]=2 26 B12R1.1 FC1=CC=C(C=C1)OCCCBr Z90122147 [1,0,0,0,0,0|1,1,0]=3 27 B12R1.1 FC1=CC=C(C=C1)OCCCCl Z56347250 [1,0,0,0,0,0|1,1,0]=3 28 B12R1.1 N#CCCNC1=CC=C(C=C1)Cl Z56938006 [1,0,0,0,0,0|2,0,1]=4 29 B12R1.1 N#CCCOC1=CC=C(C=C1)Br Z54336945 [1,0,0,0,0,0|1,1,1]=4 30 B12R1.1 N#CCCOC1=CC=C(C=C1)F Z54337110 [1,0,0,0,0,0|1,1,1]=4 31 B12R1.1 NC1=CC=C(C=C1)CCCCO Z1262622677 [1,0,0,0,0,0|2,0,0]=3 32 B12R1.1 NC1=CC=C(C=C1)COCCO Z332379572 [1,0,0,0,0,0|3,0,0]=4 33 B12R1.1 NC1=CC=C(C=C1)OCCCO Z382707186 [1,0,0,0,0,0|1,0,0]=2 34 B12R1.1 NC1=CC=C(C=C1)SCCCO Z412012390 [1,0,0,0,0,0|1,1,0]=3 35 B12R1.1 NCCCCC1=CC=C(C=C1)Br Z5880376049 [1,0,0,0,0,0|2,1,0]=4 36 B12R1.1 NCCCCC1=CC=C(C=C1)Cl Z3234944947 [1,0,0,0,0,0|2,0,0]=3 37 B12R1.1 NCCCOC1=CC=C(C=C1)F Z271006096 [1,0,0,0,0,0|1,1,0]=3 38 B12R1.1 NCCCSC1=CC=C(C=C1)F Z56988241 [1,0,0,0,0,0|1,2,0]=4 39 B12R1.1 NCCOCC1=CC=C(C=C1)Cl Z1511495255 [1,0,0,0,0,0|3,0,0]=4 40 B12R1.1 NCCSCC1=CC=C(C=C1)Cl Z1891773800 [1,0,0,0,0,0|3,0,0]=4 41 B12R1.1 NNCCOC1=CC=C(C=C1)Cl Z94597880 [1,0,0,0,0,0|2,0,0]=3 42 B12R1.1 OCCCNC1=CC=C(C=C1)Cl Z104647680 [1,0,0,0,0,0|1,0,0]=2 43 B12R1.1 OCCCOC1=CC=C(C=C1)Br Z425795726 [1,0,0,0,0,0|0,1,0]=2 44 B12R1.1 OCCCOC1=CC=C(C=C1)F Z228585902 [1,0,0,0,0,0|0,1,0]=2 45 B12R1.1 OCCNCC1=CC=C(C=C1)F Z3225797537 [1,0,0,0,0,0|2,1,0]=4 46 B12R1.21 CC(C)CCC1=CC=C(C=C1)N Z424736042 [1,0,0,0,0,0|3,0,0]=4 47 B12R1.21 CC(C)CNC1=CC=C(C=C1)Cl Z1695729058 [1,0,0,0,0,0|2,0,0]=3 48 B12R1.21 CC(C)COC1=CC=C(C=C1)O Z381414742 [1,0,0,0,0,0|2,0,0]=3 49 B12R1.21 CC(C)COC1=NC=C(C=C1)N Z285175576 [1,0,0,0,0,0|3,0,0]=4 50 B12R1.21 CC(N)CCC1=CC=C(C=C1)Br Z235361851 [1,0,0,0,0,0|2,1,0]=4 51 B12R1.21 CC(N)CCC1=CC=C(C=C1)I Z1947443961 [1,0,0,0,0,0|2,1,0]=4 52 B12R1.21 CC(N)CCC1=CC=C(C=C1)O Z220327456 [1,0,0,0,0,0|3,0,0]=4 53 B12R1.21 CC(N)COC1=CC=C(C=C1)F Z271017038 [1,0,0,0,0,0|1,1,0]=3 54 B12R1.21 CC(O)CCC1=CC=C(C=C1)O Z57921369 [1,0,0,0,0,0|2,0,0]=3 55 B12R1.21 CC1=CC=C(C=C1)NCC(C)C Z334955606 [1,0,0,0,0,0|3,0,0]=4 56 B12R1.21 CC1=CC=C(C=C1)OCC(=O)O Z56812739 [1,0,0,0,0,0|1,0,2]=4 57 B12R1.21 CC1=CC=C(C=C1)OCC(C)N Z285166960 [1,0,0,0,0,0|2,0,0]=3 58 B12R1.21 CC1=CC=C(C=C1)SCC(C)N Z1238717325 [1,0,0,0,0,0|2,1,0]=4 59 B12R1.21 C[C@@H](O)CNC1=NC=C(C=C1)Br Z1564028158 [1,0,0,0,0,0|2,1,0]=4 60 B12R1.21 C[C@H](O)CNC1=NC=C(C=C1)Br Z1564015843 [1,0,0,0,0,0|2,1,0]=4 61 B12R1.21 NC(=S)COC1=CC=C(C=C1)Cl Z295395122 [1,0,0,0,0,0|1,1,1]=4 62 B12R1.21 NC1=CC=C(C=C1)OCC(=O)O Z3241275736 [1,0,0,0,0,0|1,0,2]=4 63 B12R1.21 NC1=CC=C(C=C1)OCC(F)F Z608351552 [1,0,0,0,0,0|3,0,0]=4 64 B12R1.21 O=C(O)CCC1=CC=C(C=C1)Cl Z178961272 [1,0,0,0,0,0|1,0,2]=4 65 B12R1.21 O=C(O)CNC1=CC=C(C=C1)Cl Z274534702 [1,0,0,0,0,0|1,0,2]=4 66 B12R1.21 O=C(O)COC1=CC=C(C=C1)Br Z56812736 [1,0,0,0,0,0|0,1,2]=4 67 B12R1.21 O=C(O)COC1=CC=C(C=C1)Cl Z57181989 [1,0,0,0,0,0|0,0,2]=3 68 B12R1.21 O=C(O)COC1=CC=C(C=C1)F Z56978034 [1,0,0,0,0,0|0,1,2]=4 69 B12R1.21 O=C(O)COC1=CC=C(C=C1)I Z56943814 [1,0,0,0,0,0|0,1,2]=4 70 B12R1.21 O=C(O)COC1=CC=C(C=C1)O Z1192367471 [1,0,0,0,0,0|1,0,2]=4 71 B12R1.21 O=C(O)CSC1=CC=C(C=C1)Cl Z55179956 [1,0,0,0,0,0|0,1,2]=4 72 B12R1.27 CC(CO)COC1=CC=CC=C1 Z1255385347 [1,0,0,0,0,0|1,0,0]=2 73 B12R1.27 CC(CO)OCC1=CC=CC=C1 Z1492906786 [1,0,0,0,0,0|3,0,0]=4 74 B12R1.27 CC(COC1=CC=CC=C1)NN Z2286637842 [1,0,0,0,0,0|3,0,0]=4 75 B12R1.27 CCC(N)CCC1=CC=CC=C1 Z406453862 [1,0,0,0,0,0|3,0,0]=4 76 B12R1.27 CCC(N)CNC1=CC=CC=C1 Z756919558 [1,0,0,0,0,0|3,0,0]=4 77 B12R1.27 CCC(N)CSC1=CC=CC=C1 Z1238715197 [1,0,0,0,0,0|2,1,0]=4 78 B12R1.27 CCC(O)CCC1=CN=CC=C1 Z1233227787 [1,0,0,0,0,0|3,0,0]=4 79 B12R1.27 CCC(O)CNC1=CC=CC=C1 Z600449702 [1,0,0,0,0,0|2,0,0]=3 80 B12R1.27 C[C@H](CO)NCC1=CC=CC=C1 Z823499606 [1,0,0,0,0,0|3,0,0]=4 81 B12R1.27 N/C(=N\O)/COC1=CC=CC=C1 Z104341168 [1,0,0,0,0,0|2,0,1]=4 82 B12R1.27 NCC(O)COC1=CC=CC=C1 Z271072310 [1,0,0,0,0,0|1,0,0]=2 83 B12R1.27 O=C(CCl)COC1=CC=CC=C1 Z1255416714 [1,0,0,0,0,0|1,0,2]=4 84 B12R1.27 OC[C@H](O)COC1=CC=CC=C1 Z1201626370 [1,0,0,0,0,0|0,0,0]=1 85 B14R1.5 CCC1=CC=C(C=C1)OCC(O)CN Z271072276 [0,1,0,0,0,0|2,0,0]=3 86 B14R1.5 COC1=CC=C(C=C1)OCC(O)CN Z56919203 [0,1,0,0,0,0|2,0,0]=3 87 B14R1.5 N#CC1=CN=C(C=C1)SCC(O)CO Z1340654886 [0,1,0,0,0,0|2,1,0]=4 88 B14R1.293 CC(O)(CO)CNC1=NC=C(C=N1)Cl Z1470227146 [0,1,0,0,0,0|3,0,0]=4 89 B14R1.502 CCNC(=O)COC1=CC=C(C=C1)Cl Z19727269 [0,1,0,0,0,0|1,0,2]=4 90 B14R1.502 COC[C@@H](O)COC1=CC=C(C=C1)I Z1607780678 [0,1,0,0,0,0|0,1,0]=2 91 B14R1.502 CONC(=O)COC1=CC=C(C=C1)Cl Z188880134 [0,1,0,0,0,0|1,0,2]=4 92 B14R1.727 N/C(=N\O)/COC1=C(C=C(C=C1)Cl)Cl Z96151893 [0,1,0,0,0,0|2,0,1]=4 93 B14R1.727 O=C(COC1=C(C=C(C=C1)Cl)Cl)NO Z56756521 [0,1,0,0,0,0|1,0,2]=4 94 B14R1.833 CC1=C(C=CC(=N1)NCC(O)CO)Br Z1765131759 [0,1,0,0,0,0|2,1,0]=4 95 B14R1.833 CC1=C(C=NC(=C1)NCC(O)CO)Br Z1763103270 [0,1,0,0,0,0|2,1,0]=4 96 B14R1.833 NCC(O)COC1=CC(=C(C=C1)F)F Z431603932 [0,1,0,0,0,0|1,1,0]=3 97 B14R2.20 CC1=CC=C(C=C1)N2CCC(C2)O Z1238571333 [0,0,0,1,0,0|3,0,0]=4 98 B14R2.20 NC1CCC(C1)C2=CC=C(C=C2)Cl Z2256130470 [0,0,0,1,0,0|3,0,0]=4 99 B14R2.20 NC1CCN(C1)C2=CC=C(C=C2)Cl Z594274280 [0,0,0,1,0,0|3,0,0]=4 100 B14R2.20 OC1CNC(C1)C2=CC=C(C=C2)Br Z2733682944 [0,0,0,1,0,0|2,1,0]=4 101 B14R2.134 OCC1CNC2=C(O1)C=C(C=C2)F Z2432880663 [0,0,0,1,0,0|1,1,0]=3 102 B14R2.4513 NC1COC2=C(C1=O)C=C(C=C2)Cl Z2234185603 [0,0,0,1,0,0|1,0,2]=4 103 B14R2.5634 CC1CNC2=C(C=CC(=C2)Cl)SC1 Z1650168333 [0,0,0,1,0,0|2,1,0]=4 104 B12R1.49 CC(CN)OC1=CC=C(C=C1)Br Z844632490 [0,0,0,0,1,0|2,1,0]=4 105 B12R1.49 CC(CN)OC1=CC=C(C=C1)Cl Z844632498 [0,0,0,0,1,0|2,0,0]=3 106 B12R1.49 CC(CN)OC1=CC=C(C=C1)F Z274779140 [0,0,0,0,1,0|2,1,0]=4 107 B12R1.49 CC1=CC=C(C=C1)CC(N)CO Z1800620539 [0,0,0,0,1,0|2,0,0]=3 108 B12R1.49 CC1=CC=C(C=C1)OC(C)CN Z844632044 [0,0,0,0,1,0|3,0,0]=4 109 B12R1.49 CCC(C)OC1=CC=C(C=C1)Br Z336342658 [0,0,0,0,1,0|2,1,0]=4 110 B12R1.49 CCC(C)OC1=CC=C(C=C1)N Z274541874 [0,0,0,0,1,0|3,0,0]=4 111 B12R1.49 CCC(C)OC1=CC=C(C=C1)O Z381414944 [0,0,0,0,1,0|3,0,0]=4 112 B12R1.49 CCC(N)CC1=CC=C(C=C1)Br Z2582143601 [0,0,0,0,1,0|2,1,0]=4 113 B12R1.49 CCC(N)CC1=CC=C(C=C1)C Z431980102 [0,0,0,0,1,0|3,0,0]=4 114 B12R1.49 CCC(N)CC1=CC=C(C=C1)Cl Z2044769785 [0,0,0,0,1,0|2,0,0]=3 115 B12R1.49 CCC(N)CC1=CC=C(C=C1)F Z2492774579 [0,0,0,0,1,0|2,1,0]=4 116 B12R1.49 CCC(N)CC1=CC=C(C=C1)O Z1815149210 [0,0,0,0,1,0|3,0,0]=4 117 B12R1.49 CCC(O)CC1=CC=C(C=C1)C Z513751166 [0,0,0,0,1,0|2,0,0]=3 118 B12R1.49 C[C@@H](CN)OC1=CC=C(C=C1)Cl Z1860991587 [0,0,0,0,1,0|2,0,0]=3 119 B12R1.49 NC(CO)CC1=CC=C(C=C1)Cl Z3244488892 [0,0,0,0,1,0|1,0,0]=2 120 B12R1.49 NC(CO)CC1=CC=C(C=C1)F Z1849004242 [0,0,0,0,1,0|1,1,0]=3 121 B12R1.49 NC(CO)CC1=CC=C(C=C1)I Z1263636488 [0,0,0,0,1,0|1,1,0]=3 122 B12R1.49 NC1=CC=C(C=C1)CC(F)CO Z4580450313 [0,0,0,0,1,0|2,0,0]=3 123 B12R1.49 NCC(O)CC1=CC=C(C=C1)Br Z4990293859 [0,0,0,0,1,0|1,1,0]=3 124 B12R1.49 N[C@@H](CO)CC1=CC=C(C=C1)O Z295456854 [0,0,0,0,1,0|2,0,0]=3 125 B12R1.49 N[C@H](CO)CC1=CC=C(C=C1)O Z203038576 [0,0,0,0,1,0|2,0,0]=3 126 B12R1.49 O=C(CC1=CC=C(C=C1)Cl)NO Z59182084 [0,0,0,0,1,0|1,0,2]=4 127 B12R1.49 O=C(CCl)CC1=CC=C(C=C1)Cl Z316174770 [0,0,0,0,1,0|1,0,2]=4 128 B12R1.49 O=C(CO)CC1=CC=C(C=C1)F Z906206828 [0,0,0,0,1,0|0,1,2]=4 129 B12R1.49 O=C(CO)NC1=CC=C(C=C1)Cl Z228585484 [0,0,0,0,1,0|1,0,2]=4 130 B14R1.13 CC1=CC=C(C=C1)CSCC(O)CO Z1340655491 [0,0,0,0,0,1|1,1,0]=3 131 B14R1.13 OCC(O)CSCC1=CC=C(C=C1)F Z1340655891 [0,0,0,0,0,1|0,2,0]=3 132 B11R1.1 BrCCOC1=CC=C(C=C1)Br Z56887702 [2,0,0,0,0,0|1,1,0]=4 133 B11R1.1 C#CCOC1=CC=C(C=C1)Cl Z54472184 [2,0,0,0,0,0|0,0,2]=4 134 B11R1.1 CC1=CC=C(C=C1)CCCN Z4639316723 [2,0,0,0,0,0|2,0,0]=4 135 B11R1.1 CC1=CC=C(C=C1)OCCBr Z56886357 [2,0,0,0,0,0|2,0,0]=4 136 B11R1.1 CC1=CC=C(C=C1)OCCN Z54747869 [2,0,0,0,0,0|2,0,0]=4 137 B11R1.1 CC1=CC=C(C=C1)SCCO Z149178580 [2,0,0,0,0,0|1,1,0]=4 138 B11R1.1 CCCCC1=CC=C(C=C1)N Z104475500 [2,0,0,0,0,0|2,0,0]=4 139 B11R1.1 CCCNC1=CC=C(C=C1)Cl Z1266933829 [2,0,0,0,0,0|1,0,0]=3 140 B11R1.1 CCCOC1=CC=C(C=C1)N Z239604724 [2,0,0,0,0,0|1,0,0]=3 141 B11R1.1 CNCCC1=CC=C(C=C1)Cl Z1623872266 [2,0,0,0,0,0|2,0,0]=4 142 B11R1.1 COCCC1=CC=C(C=C1)Cl Z1470894103 [2,0,0,0,0,0|2,0,0]=4 143 B11R1.1 COCOC1=CC=C(C=C1)N Z1259226853 [2,0,0,0,0,0|2,0,0]=4 144 B11R1.1 ClC1=CC=C(C=C1)OCCBr Z56926557 [2,0,0,0,0,0|1,0,0]=3 145 B11R1.1 ClCCSC1=CC=C(C=C1)Cl Z55993025 [2,0,0,0,0,0|1,1,0]=4 146 B11R1.1 FCCOC1=CC=C(C=C1)Br Z1269166672 [2,0,0,0,0,0|1,1,0]=4 147 B11R1.1 N#CCOC1=CC=C(C=C1)Cl Z54608574 [2,0,0,0,0,0|1,0,1]=4 148 B11R1.1 NC1=CC=C(C=C1)OCCF Z1262631146 [2,0,0,0,0,0|2,0,0]=4 149 B11R1.1 NC1=CC=C(C=C1)OCCO Z332379386 [2,0,0,0,0,0|1,0,0]=3 150 B11R1.1 NCCCC1=CC=C(C=C1)Br Z3980240042 [2,0,0,0,0,0|1,1,0]=4 151 B11R1.1 NCCCC1=CC=C(C=C1)Cl Z992716848 [2,0,0,0,0,0|1,0,0]=3 152 B11R1.1 NCCCC1=CC=C(C=C1)F Z3244753845 [2,0,0,0,0,0|1,1,0]=4 153 B11R1.1 NCCCC1=CC=C(C=C1)N Z5453008768 [2,0,0,0,0,0|2,0,0]=4 154 B11R1.1 NCCCC1=CC=C(C=C1)O Z1270210797 [2,0,0,0,0,0|2,0,0]=4 155 B11R1.1 NCCOC1=CC=C(C=C1)Br Z1262237188 [2,0,0,0,0,0|1,1,0]=4 156 B11R1.1 NCCOC1=CC=C(C=C1)Cl Z85957193 [2,0,0,0,0,0|1,0,0]=3 157 B11R1.1 NCCOC1=CC=C(C=C1)F Z87000937 [2,0,0,0,0,0|1,1,0]=4 158 B11R1.1 NCCOC1=CC=C(C=C1)I Z381428104 [2,0,0,0,0,0|1,1,0]=4 159 B11R1.1 NCCOC1=NC=C(C=C1)Cl Z1421528823 [2,0,0,0,0,0|2,0,0]=4 160 B11R1.1 NCCSC1=CC=C(C=C1)Cl Z54751093 [2,0,0,0,0,0|1,1,0]=4 161 B11R1.1 O=CCCC1=CC=C(C=C1)Cl Z993017742 [2,0,0,0,0,0|0,0,2]=4 162 B11R1.1 OCC#CC1=CC=C(C=C1)Cl Z540350074 [2,0,0,0,0,0|0,0,2]=4 163 B11R1.1 OCCCC1=CC=C(C=C1)F Z992949550 [2,0,0,0,0,0|0,1,0]=3 164 B11R1.1 OCCNC1=CC=C(C=C1)Br Z335275406 [2,0,0,0,0,0|1,1,0]=4 165 B11R1.1 OCCOC1=CC=C(C=C1)Br Z335092354 [2,0,0,0,0,0|0,1,0]=3 166 B11R1.1 OCCOC1=CC=C(C=C1)O Z381414946 [2,0,0,0,0,0|1,0,0]=3 167 B11R1.1 OCCOC1=NC=C(C=C1)Br Z808609020 [2,0,0,0,0,0|1,1,0]=4 168 B11R1.1 OCCSC1=CC=C(C=C1)Br Z149190682 [2,0,0,0,0,0|0,2,0]=4 169 B11R1.1 OCCSC1=CC=C(C=C1)Cl Z149162370 [2,0,0,0,0,0|0,1,0]=3 170 B11R1.28 BrCCCOC1=CC=CC=C1 Z90122132 [2,0,0,0,0,0|1,0,0]=3 171 B11R1.28 C#CCCOC1=CC=CC=C1 Z1143222703 [2,0,0,0,0,0|1,0,1]=4 172 B11R1.28 CCCCCC1=CC=CC=C1 Z199507042 [2,0,0,0,0,0|2,0,0]=4 173 B11R1.28 CNCCOC1=CC=CC=C1 Z56945505 [2,0,0,0,0,0|2,0,0]=4 174 B11R1.28 ClCCCOC1=CC=CC=C1 Z275020186 [2,0,0,0,0,0|1,0,0]=3 175 B11R1.28 N#CCCOC1=CC=CC=C1 Z54337114 [2,0,0,0,0,0|1,0,1]=4 176 B11R1.28 NCCCCC1=CC=CC=C1 Z2574929438 [2,0,0,0,0,0|2,0,0]=4 177 B11R1.28 NCCCNC1=CC=CC=C1 Z756919512 [2,0,0,0,0,0|2,0,0]=4 178 B11R1.28 NCCCOC1=CC=CC=C1 Z234895129 [2,0,0,0,0,0|1,0,0]=3 179 B11R1.28 NCCCOC1=CC=NC=C1 Z976694292 [2,0,0,0,0,0|2,0,0]=4 180 B11R1.28 NCCCSC1=CC=CC=C1 Z262222134 [2,0,0,0,0,0|1,1,0]=4 181 B11R1.28 OCCCNC1=CC=CC=C1 Z104584292 [2,0,0,0,0,0|1,0,0]=3 182 B11R1.28 OCCCNC1=CC=NC=C1 Z359301948 [2,0,0,0,0,0|2,0,0]=4 183 B11R1.28 OCCCNC1=NC=CC=C1 Z31220937 [2,0,0,0,0,0|2,0,0]=4 184 B11R1.28 OCCCSC1=CC=CC=C1 Z104650330 [2,0,0,0,0,0|0,1,0]=3 185 B11R1.28 OCCOCC1=CC=CC=C1 Z854223062 [2,0,0,0,0,0|2,0,0]=4 186 B11R1.91 CC(C)CNC1=CC=CC=C1 Z2092369729 [2,0,0,0,0,0|2,0,0]=4 187 B11R1.91 CC(C)COC1=CN=CC=C1 Z1606818727 [2,0,0,0,0,0|2,0,0]=4 188 B11R1.91 CC(N)CCC1=CC=CC=C1 Z104476462 [2,0,0,0,0,0|2,0,0]=4 189 B11R1.91 CC(N)COC1=CC=CC=C1 Z600397650 [2,0,0,0,0,0|1,0,0]=3 190 B11R1.91 CC(O)CNC1=CC=CC=C1 Z234898271 [2,0,0,0,0,0|1,0,0]=3 191 B11R1.91 C[C@H](N)CCC1=CC=CC=C1 Z5044990030 [2,0,0,0,0,0|2,0,0]=4 192 B11R1.91 O=C(O)COC1=CC=CC=C1 Z57182011 [2,0,0,0,0,0|0,0,2]=4 193 B11R1.91 OB(O)CCC1=CC=CC=C1 Z1147227790 [2,0,0,0,0,0|2,0,0]=4 194 B13R1.9 CC1=CC=C(C=C1)OCCCCN Z285166766 [1,1,0,0,0,0|2,0,0]=4 195 B13R1.9 CCCCCOC1=CC=C(C=C1)N Z4968222963 [1,1,0,0,0,0|2,0,0]=4 196 B13R1.9 CCCCCOC1=CC=C(C=C1)O Z56899109 [1,1,0,0,0,0|2,0,0]=4 197 B13R1.9 CCNCCOC1=CC=C(C=C1)Br Z1262398522 [1,1,0,0,0,0|1,1,0]=4 198 B13R1.9 CCOCCNC1=CC=C(C=C1)Cl Z2266149364 [1,1,0,0,0,0|2,0,0]=4 199 B13R1.9 CNCCCOC1=CC=C(C=C1)Br Z3002757594 [1,1,0,0,0,0|1,1,0]=4 200 B13R1.9 CNCCCOC1=CC=C(C=C1)F Z394693474 [1,1,0,0,0,0|1,1,0]=4 201 B13R1.9 COCCCNC1=CC=C(C=C1)C Z608346034 [1,1,0,0,0,0|2,0,0]=4 202 B13R1.9 COCCCSC1=CC=C(C=C1)N Z608346568 [1,1,0,0,0,0|1,1,0]=4 203 B13R1.9 N#CCCCOC1=CC=C(C=C1)Cl Z54445360 [1,1,0,0,0,0|1,0,0]=3 204 B13R1.9 N#CCCCOC1=CC=C(C=C1)F Z54446522 [1,1,0,0,0,0|1,1,0]=4 205 B13R1.9 NC1=CC=C(C=C1)CCNCCO Z1251358284 [1,1,0,0,0,0|2,0,0]=4 206 B13R1.9 NCCCCCC1=CC=C(C=C1)Cl Z4525234042 [1,1,0,0,0,0|2,0,0]=4 207 B13R1.9 NCCCCOC1=CC=C(C=C1)F Z119967286 [1,1,0,0,0,0|1,1,0]=4 208 B13R1.9 OCCN/N=C/C1=CC=C(C=C1)Cl Z56850515 [1,1,0,0,0,0|2,0,0]=4 209 B13R1.17 O=C(CCCO)C1=CC=C(C=C1)F Z228585372 [1,1,0,0,0,0|1,1,0]=4 210 B13R1.17 O=C(NCCO)C1=CC=C(C=C1)Cl Z31725206 [1,1,0,0,0,0|2,0,0]=4 211 B13R1.17 OCCCC(O)C1=CC=C(C=C1)F Z1251359270 [1,1,0,0,0,0|1,1,0]=4 212 B13R1.369 CC1=C(C=CC(=C1)Cl)OCCCN Z316909358 [1,1,0,0,0,0|1,0,0]=3 213 B13R1.369 CCCCOC1=C(C=C(C=C1)C)Br Z291788284 [1,1,0,0,0,0|2,0,0]=4 214 B13R1.369 NCCCOC1=C(C=C(C=C1)Cl)Cl Z316909342 [1,1,0,0,0,0|1,0,0]=3 215 B13R1.369 OCCCOC1=C(C=C(C=C1)F)Br Z74091471 [1,1,0,0,0,0|0,1,0]=3 216 B13R1.371 CCCCOC1=CC=C(C=C1)C=O Z57887685 [1,1,0,0,0,0|2,0,0]=4 217 B13R1.371 COC1=CC=C(C=C1)NCCCO Z104638312 [1,1,0,0,0,0|2,0,0]=4 218 B13R1.371 COC1=CC=C(C=C1)OCCCBr Z104508746 [1,1,0,0,0,0|2,0,0]=4 219 B13R1.371 COC1=CC=C(C=C1)OCCCN Z271006116 [1,1,0,0,0,0|2,0,0]=4 220 B13R1.371 N#CC1=CC=C(C=C1)OCCCCl Z275020190 [1,1,0,0,0,0|2,0,0]=4 221 B13R1.371 O=CC1=CC=C(C=C1)OCCCCl Z1198147735 [1,1,0,0,0,0|2,0,0]=4 222 B13R1.513 CC(C)CCOC1=CC=C(C=C1)N Z239604712 [1,1,0,0,0,0|2,0,0]=4 223 B13R1.513 CC1=CC=C(C=C1)OCCC(=O)O Z56805738 [1,1,0,0,0,0|1,0,1]=4 224 B13R1.513 NC1=CC=C(C=C1)OCCC(=O)O Z1259335771 [1,1,0,0,0,0|1,0,1]=4 225 B13R1.513 O=C(O)CCCC1=CC=C(C=C1)Cl Z336286026 [1,1,0,0,0,0|1,0,1]=4 226 B13R1.513 O=C(O)CCOC1=CC=C(C=C1)Br Z240085156 [1,1,0,0,0,0|0,1,1]=4 227 B13R1.513 O=C(O)CCOC1=CC=C(C=C1)Cl Z57229608 [1,1,0,0,0,0|0,0,1]=3 228 B13R1.513 O=C(O)CCOC1=CC=C(C=C1)F Z240085178 [1,1,0,0,0,0|0,1,1]=4 229 B13R1.513 O=C(O)CCSC1=CC=C(C=C1)Cl Z56812813 [1,1,0,0,0,0|0,1,1]=4 230 B13R1.669 CC1=C(C=C(C=C1)CCCCO)C Z1198339107 [1,1,0,0,0,0|2,0,0]=4 231 B13R1.669 CC1=C(C=C(C=C1)OCCCO)C Z425795786 [1,1,0,0,0,0|1,0,0]=3 232 B13R1.669 CCCCOC1=CC(=C(C=C1)N)C Z239604798 [1,1,0,0,0,0|2,0,0]=4 233 B13R1.669 CNCCOC1=CC(=C(C=C1)Cl)Cl Z237479002 [1,1,0,0,0,0|2,0,0]=4 234 B13R1.669 O=CCCOC1=CC(=C(C=C1)Cl)Cl Z1080367810 [1,1,0,0,0,0|0,0,2]=4 235 B13R1.669 OCCNCC1=CC(=C(C=C1)Cl)Cl Z90504544 [1,1,0,0,0,0|2,0,0]=4 236 B13R1.3 CC(C)COC1=CC=C(C=C1)C=O Z53833129 [1,1,0,0,0,0|2,0,0]=4 237 B13R1.3 CC(C)COC1=CC=C(C=C1)CN Z57102877 [1,1,0,0,0,0|2,0,0]=4 238 B13R1.3 CC(C)COC1=CC=C(C=C1)CO Z54649982 [1,1,0,0,0,0|2,0,0]=4 239 B13R1.132 CC(C)CC(=O)C1=CC=C(C=C1)Cl Z385417372 [1,1,0,0,0,0|2,0,0]=4 240 B13R1.132 CC(C)CC(N)C1=CC=C(C=C1)Cl Z291232734 [1,1,0,0,0,0|2,0,0]=4 241 B13R1.133 CC(C)C(N)CC1=CC=C(C=C1)Cl Z513796444 [1,1,0,0,0,0|2,0,0]=4 242 B13R1.133 CC(OC1=CC=C(C=C1)Cl)C(=O)O Z56922097 [1,1,0,0,0,0|0,0,2]=4 243 B13R1.133 C[C@H](OC1=CC=C(C=C1)Cl)C(=O)O Z1508916088 [1,1,0,0,0,0|0,0,2]=4 244 B13R1.164 CC(C)COC1=C(C=C(C=C1)N)Cl Z359419772 [1,1,0,0,0,0|2,0,0]=4 245 B13R1.164 CC(N)COC1=C(C=C(C=C1)F)F Z271013710 [1,1,0,0,0,0|1,1,0]=4 246 B13R1.164 CC(O)CNC1=C(C=C(C=N1)Cl)Br Z1763019849 [1,1,0,0,0,0|2,0,0]=4 247 B13R1.164 CC1=C(C=CC(=C1)Cl)OCC(=O)O Z56824184 [1,1,0,0,0,0|0,0,2]=4 248 B13R1.164 O=C(O)COC1=C(C=C(C=C1)Cl)Br Z56924479 [1,1,0,0,0,0|0,0,2]=4 249 B13R1.164 O=C(O)COC1=C(C=C(C=C1)Cl)Cl Z56771026 [1,1,0,0,0,0|0,0,2]=4 250 B13R1.164 O=C(O)COC1=C(C=C(C=C1)Cl)F Z1416161884 [1,1,0,0,0,0|0,0,2]=4 251 B13R1.511 CC1=C(C=CC(=C1)OCC(=O)O)Cl Z56823032 [1,1,0,0,0,0|0,0,2]=4 252 B13R1.511 O=C(O)COC1=CC(=C(C=C1)Cl)Cl Z65558737 [1,1,0,0,0,0|0,0,2]=4 253 B13R1.511 O=C(O)COC1=CC(=C(C=C1)Cl)F Z1486018170 [1,1,0,0,0,0|0,0,2]=4 254 B13R1.15 CC1=CC(=CC=C1)OCC(O)CN Z271072304 [1,1,0,0,0,0|1,0,0]=3 255 B13R1.15 NCC(O)COC1=CC(=CC=C1)F Z271072324 [1,1,0,0,0,0|1,0,0]=3 256 B13R1.15 OCC(O)CNC1=CC(=CN=C1)Br Z1663221872 [1,1,0,0,0,0|2,0,0]=4 257 B13R1.15 OCC(O)CSC1=CC(=CC=C1)Br Z1346696335 [1,1,0,0,0,0|0,1,0]=3 258 B13R1.15 OCC(O)CSC1=CC(=CC=C1)Cl Z1346696059 [1,1,0,0,0,0|0,1,0]=3 259 B13R1.42 NCCC(O)CCC1=CC=CC=C1 Z1255452410 [1,1,0,0,0,0|2,0,0]=4 260 B13R1.254 CC(C)(CO)COC1=CC=CC=C1 Z1255499310 [1,1,0,0,0,0|1,0,0]=3 261 B13R1.254 CC(N)(CO)COC1=CC=CC=C1 Z1250155590 [1,1,0,0,0,0|1,0,0]=3 262 B13R1.351 CC(C)C(O)CCC1=CC=CC=C1 Z513750674 [1,1,0,0,0,0|2,0,0]=4 263 B13R1.351 CC(C)C(O)CSC1=CC=CC=C1 Z1258791042 [1,1,0,0,0,0|1,1,0]=4 264 B13R1.351 CC(COC1=CC=CC=C1)C(=O)O Z425469932 [1,1,0,0,0,0|1,0,1]=4 265 B13R1.351 O=C(O)C(O)CCC1=CC=CC=C1 Z1259340035 [1,1,0,0,0,0|1,0,1]=4 266 B13R1.528 CCC(N)COC1=C(C=CC=C1)F Z1268152369 [1,1,0,0,0,0|2,0,0]=4 267 B13R1.528 NCC(O)COC1=C(C=CC=C1)Br Z295439386 [1,1,0,0,0,0|1,0,0]=3 268 B13R1.528 OCC(O)CSC1=C(C=CC=N1)Br Z1340655220 [1,1,0,0,0,0|1,1,0]=4 269 B13R1.21 CCC(C)C(N)C1=CC=C(C=C1)Cl Z291232760 [0,1,0,0,1,0|2,0,0]=4 270 B13R1.21 NC(CO)C(O)C1=CC=C(C=C1)Cl Z2670838766 [0,1,0,0,1,0|1,0,0]=3 271 B13R1.145 N#CC(CO)CC1=CC=C(C=C1)F Z851820868 [0,1,0,0,1,0|1,1,0]=4 272 B13R1.145 NCC(CO)CC1=CC=C(C=C1)Br Z1860991556 [0,1,0,0,1,0|1,1,0]=4 273 B13R1.145 NCC(CO)CC1=CC=C(C=C1)Cl Z1324055647 [0,1,0,0,1,0|1,0,0]=3 274 B13R1.145 NCC(CO)CC1=CC=C(C=C1)F Z285055048 [0,1,0,0,1,0|1,1,0]=4 275 B13R1.249 CC(N)(CO)CC1=CC=C(C=C1)Br Z2732858926 [0,1,0,0,1,0|1,1,0]=4 276 B13R1.249 CC(N)(CO)CC1=CC=C(C=C1)Cl Z2738738577 [0,1,0,0,1,0|1,0,0]=3 277 B13R1.249 CC(N)(CO)CC1=CC=C(C=C1)F Z2732860433 [0,1,0,0,1,0|1,1,0]=4 278 B13R1.249 CC1=CC=C(C=C1)CC(C)(N)CO Z5060721709 [0,1,0,0,1,0|2,0,0]=4 279 B13R1.249 OCC(F)(F)OC1=CC=C(C=C1)Br Z3177888887 [0,1,0,0,1,0|1,1,0]=4 280 B13R1.2679 CC1=CC(=C(C=C1)CC(O)CN)C Z1255405058 [0,1,0,0,1,0|2,0,0]=4 281 B13R1.2679 CCC(N)CC1=C(C=C(C=C1)Cl)Cl Z431980076 [0,1,0,0,1,0|2,0,0]=4 282 B13R1.2679 NCC(O)CC1=C(C=C(C=C1)F)F Z1694636386 [0,1,0,0,1,0|1,1,0]=4 283 B13R1.2879 CC1=C(C=C(C=C1)CC(N)CO)C Z2255081939 [0,1,0,0,1,0|2,0,0]=4 284 B15R1.8 CCC(C)(O)CNCC1=CC=C(C=C1)Cl Z1176950758 [0,1,0,0,0,1|2,0,0]=4 285 B15R1.132 CC(SCC(O)CO)C1=CC=C(C=C1)F Z1341521853 [0,1,0,0,0,1|0,2,0]=4 286 B15R1.206 COC1=CC=C(C=C1)COCC(O)CN Z335080374 [0,1,0,0,0,1|2,0,0]=4 287 B15R1.3836 OCC(O)CSCC1=C(C=C(C=C1)Cl)Cl Z1340655962 [0,1,0,0,0,1|0,1,0]=3 288 B15R1.3836 OCC(O)CSCC1=C(C=C(C=C1)F)Cl Z1340656029 [0,1,0,0,0,1|0,2,0]=4 289 B15R1.11630 OCC(O)CSCC1=CC(=C(C=C1)Cl)Cl Z1340655649 [0,1,0,0,0,1|0,1,0]=3 290 B15R1.956 NCC(O)COC1=CC=C(C=C1)[N+](=O)[O-] Z1259341059 [0,2,0,0,0,0|2,0,0]=4 291 B15R1.979 O=S(=O)(CC(O)CO)C1=CC=C(C=C1)Br Z1347350421 [0,2,0,0,0,0|0,2,0]=4 292 B15R1.139 CCOCC(O)CNC1=NC=C(C=C1)Cl Z1272771109 [0,2,0,0,0,0|2,0,0]=4 293 B15R1.791 COC[C@@H](O)COC1=C(C=C(C=C1)Br)Cl Z1607779421 [0,2,0,0,0,0|0,1,0]=3 294 B15R1.870 CN(C)CC(O)COC1=CC=C(C=C1)N Z404979750 [0,2,0,0,0,0|2,0,0]=4 295 B13R2.12 ClC1=CC=C(C=C1)C2CCCN2 Z1262246112 [1,0,0,1,0,0|2,0,0]=4 296 B13R2.12 ClC1=CC=C(C=C1)N2CCCC2 Z1198183704 [1,0,0,1,0,0|2,0,0]=4 297 B13R2.162 NC1CCOC2=C1C=C(C=C2)Br Z812517124 [1,0,0,1,0,0|1,1,0]=4 298 B13R2.162 NC1CCOC2=C1C=C(C=C2)Cl Z3234952129 [1,0,0,1,0,0|1,0,0]=3 299 B13R2.162 NC1CCOC2=C1C=C(C=C2)F Z1266854953 [1,0,0,1,0,0|1,1,0]=4 300 B13R2.162 NC1CCSC2=C1C=C(C=C2)Cl Z147340872 [1,0,0,1,0,0|1,1,0]=4 301 B13R2.162 N[C@@H]1CCOC2=C1C=C(C=C2)O Z3353639073 [1,0,0,1,0,0|2,0,0]=4 302 B13R2.162 O=C1CCOC2=C1C=C(C=C2)Cl Z382720992 [1,0,0,1,0,0|0,0,2]=4 303 B13R2.162 OC1CCCC2=C1C=C(C=C2)Cl Z1008483484 [1,0,0,1,0,0|1,0,0]=3 304 B13R2.162 OC1CCOC2=C1C=C(C=C2)Br Z235448344 [1,0,0,1,0,0|0,1,0]=3 305 B13R2.527 BrC1=CC=C(C=C1)OCC2CC2 Z431958470 [1,0,0,1,0,0|1,1,0]=4 306 B13R2.527 BrC1=CC=C(C=C1)OCC2CO2 Z104492436 [1,0,0,1,0,0|0,1,0]=3 307 B13R2.527 CC1=CC=C(C=C1)OCC2CO2 Z57046213 [1,0,0,1,0,0|1,0,0]=3 308 B13R2.527 ClC1=CC=C(C=C1)OCC2CO2 Z94602271 [1,0,0,1,0,0|0,0,0]=2 309 B13R2.527 ClC1=CC=C(C=C1)OC[C@H]2CO2 Z1198182187 [1,0,0,1,0,0|0,0,0]=2 310 B13R2.527 FC1=CC=C(C=C1)OCC2CO2 Z147642752 [1,0,0,1,0,0|0,1,0]=3 311 B13R2.527 NC1=CC=C(C=C1)OCC2CC2 Z1267881654 [1,0,0,1,0,0|2,0,0]=4 312 B13R2.527 OC1=CC=C(C=C1)OCC2CC2 Z431958964 [1,0,0,1,0,0|2,0,0]=4 313 B13R2.1069 IC1=CC=C(C=C1)OC2CCC2 Z1862022366 [1,0,0,1,0,0|1,1,0]=4 314 B13R2.1069 OC1=CC=C(C=C1)OC2CCC2 Z2515400422 [1,0,0,1,0,0|2,0,0]=4 315 B13R2.3729 BrC1=CC2=C(C=C1)OCCCO2 Z299596130 [1,0,0,1,0,0|0,1,0]=3 316 B13R2.3729 CC1=CC2=C(C=C1)OCCCN2 Z1251362910 [1,0,0,1,0,0|2,0,0]=4 317 B13R2.3729 ClC1=CC2=C(C=C1)CCCCN2 Z1655103611 [1,0,0,1,0,0|2,0,0]=4 318 B13R2.3729 ClC1=CC2=C(C=C1)CNCCO2 Z3292855287 [1,0,0,1,0,0|2,0,0]=4 319 B13R2.3729 ClC1=CC2=C(C=C1)NCCCC2 Z2568751763 [1,0,0,1,0,0|2,0,0]=4 320 B13R2.3729 ClC1=CC2=C(C=C1)NCCCS2 Z1262602361 [1,0,0,1,0,0|1,1,0]=4 321 B13R2.3729 ClC1=CC2=C(C=C1)OCCCO2 Z382713972 [1,0,0,1,0,0|0,0,0]=2 322 B13R2.3729 ClC1=CC2=C(C=C1)OCCNC2 Z2756841896 [1,0,0,1,0,0|2,0,0]=4 323 B13R2.3729 ClC1=CC2=C(C=C1)SCCCN2 Z1262585685 [1,0,0,1,0,0|1,1,0]=4 324 B13R2.3729 NC1=CC2=C(C=C1)OCCCO2 Z90121988 [1,0,0,1,0,0|1,0,0]=3 325 B13R2.3729 OC1=CC2=C(C=C1)OCCCO2 Z384971252 [1,0,0,1,0,0|1,0,0]=3 326 B13R2.3729 SC1=CC2=C(C=C1)OCCCO2 Z57028523 [1,0,0,1,0,0|1,0,0]=3 327 B13R2.147 N[C@H]1C[C@@H](C1)C2=CC=C(C=C2)Cl Z1947189743 [1,0,0,1,0,0|2,0,0]=4 328 B13R2.147 OC1CC(C1)C2=CC=C(C=C2)Br Z501748690 [1,0,0,1,0,0|1,1,0]=4 329 B13R2.155 CC1=CC2=C(C=C1)NCC(O2)C Z1198339750 [1,0,0,1,0,0|2,0,0]=4 330 B13R2.155 CC1CNC2=C(O1)C=C(C=C2)Br Z1269181301 [1,0,0,1,0,0|1,1,0]=4 331 B13R2.155 CC1CNC2=C(O1)C=C(C=C2)F Z1258990936 [1,0,0,1,0,0|1,1,0]=4 332 B13R2.155 NC1COC2=C(C1)C=C(C=C2)Br Z3225516948 [1,0,0,1,0,0|1,1,0]=4 333 B13R2.155 NC1COC2=C(C1)C=C(C=C2)F Z2146513958 [1,0,0,1,0,0|1,1,0]=4 334 B13R2.155 OC1=CC2=C(C=C1)CCC(C2)O Z1513811314 [1,0,0,1,0,0|2,0,0]=4 335 B13R2.155 OC1CNC2=C(C1)C=C(C=C2)Br Z2733593416 [1,0,0,1,0,0|1,1,0]=4 336 B13R2.155 OC1CNC2=C(C1)C=C(C=C2)F Z1813139692 [1,0,0,1,0,0|1,1,0]=4 337 B13R2.3791 CC1(COC2=C1C=C(C=C2)Br)C Z1269161489 [1,0,0,1,0,0|1,1,0]=4 338 B13R2.3791 CC1(COC2=C1C=C(C=C2)O)C Z1513829476 [1,0,0,1,0,0|2,0,0]=4 339 B13R2.10 NC1COC(C1)C2=CC=CC=C2 Z4657508784 [1,0,0,1,0,0|2,0,0]=4 340 B13R2.10 OC1CCN(C1)C2=CC=CC=C2 Z1198184574 [1,0,0,1,0,0|2,0,0]=4 341 B13R2.10 OC1CNC(C1)C2=CC=CC=C2 Z2298064173 [1,0,0,1,0,0|2,0,0]=4 342 B13R2.32 CC1COC2=C(C1O)C=CC=C2 Z1255453699 [1,0,0,1,0,0|1,0,0]=3 343 B13R2.32 NC1C2=C(C=CC=C2)OCC1F Z2830459792 [1,0,0,1,0,0|2,0,0]=4 344 B13R2.32 NC1COC2=C(C1O)C=CC=C2 Z2146515656 [1,0,0,1,0,0|1,0,0]=3 345 B13R2.32 N[C@@H]1COC2=C([C@H]1O)C=CC=C2 Z4354027077 [1,0,0,1,0,0|1,0,0]=3 346 B13R2.32 N[C@H]1C2=C(C=CC=C2)CC[C@@H]1O Z3070471251 [1,0,0,1,0,0|2,0,0]=4 347 B13R2.32 N[C@H]1C2=C(C=CC=C2)CC[C@H]1O Z2901813806 [1,0,0,1,0,0|2,0,0]=4 348 B13R2.32 N[C@H]1C2=C(C=CC=C2)OC[C@H]1O Z3212210130 [1,0,0,1,0,0|1,0,0]=3 349 B13R2.32 O=C1C2=C(C=CC=C2)OCC1O Z1513597915 [1,0,0,1,0,0|0,0,2]=4 350 B13R2.57 CCC1CNC2=C(O1)C=CC=C2 Z1198339744 [1,0,0,1,0,0|2,0,0]=4 351 B13R2.57 ClCC1COC2=C(O1)C=CC=C2 Z56950531 [1,0,0,1,0,0|1,0,0]=3 352 B13R2.57 N#CC1COC2=C(O1)C=CC=C2 Z1079179050 [1,0,0,1,0,0|1,0,1]=4 353 B13R2.57 NCC1COC2=C(C1)C=CC=C2 Z96093367 [1,0,0,1,0,0|2,0,0]=4 354 B13R2.57 NCC1COC2=C(O1)C=CC=C2 Z316170312 [1,0,0,1,0,0|1,0,0]=3 355 B13R2.57 NCC1CSC2=C(O1)C=CC=C2 Z2379088782 [1,0,0,1,0,0|1,1,0]=4 356 B13R2.57 OCC1CNC2=C(C1)C=CC=C2 Z359510194 [1,0,0,1,0,0|2,0,0]=4 357 B13R2.57 OCC1COC2=C(O1)C=CC=C2 Z56943727 [1,0,0,1,0,0|0,0,0]=2 358 B13R2.57 OCC1COC2=C(O1)N=CC=C2 Z2216303135 [1,0,0,1,0,0|1,0,0]=3 359 B13R2.57 OCC1CSC2=C(O1)C=CC=C2 Z916847050 [1,0,0,1,0,0|0,1,0]=3 360 B13R2.98 C[C@]1(C[C@H]1C2=CC=CC=C2)CO Z2467454648 [1,0,0,1,0,0|2,0,0]=4 361 B13R2.2531 CC1(COC2=C1C=CC=C2)CN Z5185116445 [1,0,0,1,0,0|2,0,0]=4 362 B13R2.2531 NC1(CCC2=C1C=CC=C2)CO Z734150984 [1,0,0,1,0,0|2,0,0]=4 363 B13R2.2531 NCC1(CCC2=C1C=CC=C2)O Z419084888 [1,0,0,1,0,0|2,0,0]=4 364 B13R2.43 OCC1CC2=C(O1)C=CC(=C2)Br Z1269186761 [0,0,0,1,1,0|1,1,0]=4 365 B13R2.43 OCC1CC2=C(O1)C=CC(=C2)F Z1198725007 [0,0,0,1,1,0|1,1,0]=4 366 B13R2.148 NC1(CC1)CC2=CC=C(C=C2)Cl Z3244909154 [0,0,0,1,1,0|2,0,0]=4 367 B13R2.3683 CC1CNC2=C(O1)C=CC(=C2)Cl Z1198339753 [0,0,0,1,1,0|2,0,0]=4 368 B13R2.3683 OC1CCC2=C(C1)C=CC(=C2)Br Z449374978 [0,0,0,1,1,0|1,1,0]=4 369 B15R2.98 O[C@@H]1CCN(C1)CC2=CC=C(C=C2)Cl Z2856434858 [0,0,0,1,0,1|2,0,0]=4 370 B15R2.275 ClCC1CNC(O1)C2=CC=C(C=C2)Cl Z90661765 [0,0,0,1,0,1|2,0,0]=4 371 B15R2.4776 COC1=CC2=C(C=C1)CCC(O2)CO Z1862018264 [0,1,0,1,0,0|2,0,0]=4 372 B15R2.1510 OC1CCCC1CC2=CC=C(C=C2)Cl Z854048268 [0,1,0,1,0,0|2,0,0]=4 373 B15R2.100 BrC1=CC=C(C=C1)OCC2CCCO2 Z54895783 [0,1,0,1,0,0|1,1,0]=4 374 B15R2.100 NC1=CC=C(C=C1)OCC2CCCO2 Z449368958 [0,1,0,1,0,0|2,0,0]=4 375 B15R2.7174 O=C(O)C1COC2=C(C1)C=C(C=C2)Cl Z108565168 [0,1,0,1,0,0|1,0,1]=4 376 B15R2.7174 O=C(O)C1COC2=C(O1)C=C(C=C2)Br Z1862025525 [0,1,0,1,0,0|0,1,1]=4 377 B15R2.7174 O=C(O)C1COC2=C(O1)C=C(C=C2)Cl Z1508942364 [0,1,0,1,0,0|0,0,1]=3 378 B15R2.7174 O=C(O)C1COC2=C(O1)C=C(C=C2)O Z1262515346 [0,1,0,1,0,0|1,0,1]=4 379 B15R2.43839 NC1=C(C=CC(=C1)Cl)OCC2CCC2 Z1263590120 [0,1,0,1,0,0|2,0,0]=4 380 B11R1.20 CC(C)CC1=CC=C(C=C1)N Z1463350056 [1,0,0,0,1,0|2,0,0]=4 381 B11R1.20 CC(C)NC1=CC=C(C=C1)Cl Z993967140 [1,0,0,0,1,0|2,0,0]=4 382 B11R1.20 CC(C)OC1=CC=C(C=C1)Br Z53834735 [1,0,0,0,1,0|1,1,0]=4 383 B11R1.20 CC(C)OC1=CC=C(C=C1)I Z54181200 [1,0,0,0,1,0|1,1,0]=4 384 B11R1.20 CC(N)CC1=CC=C(C=C1)O Z57102382 [1,0,0,0,1,0|2,0,0]=4 385 B11R1.20 CC1=CC=C(C=C1)OC(C)C Z53834229 [1,0,0,0,1,0|2,0,0]=4 386 B11R1.20 O=C(O)CC1=CC=C(C=C1)Cl Z104477676 [1,0,0,0,1,0|0,0,2]=4 387 B11R1.40 CC(CN)OC1=CC=CC=C1 Z1245635737 [1,0,0,0,1,0|2,0,0]=4 388 B11R1.40 CCC(N)CC1=CC=CC=C1 Z431980016 [1,0,0,0,1,0|2,0,0]=4 389 B11R1.40 CCC(O)CC1=CC=CC=C1 Z513749284 [1,0,0,0,1,0|1,0,0]=3 390 B11R1.40 CCC(O)CC1=CC=NC=C1 Z992409862 [1,0,0,0,1,0|2,0,0]=4 391 B11R1.40 CC[C@@H](O)CC1=CC=CC=C1 Z1262397064 [1,0,0,0,1,0|1,0,0]=3 392 B11R1.40 CC[C@H](O)CC1=CC=CC=C1 Z1262397065 [1,0,0,0,1,0|1,0,0]=3 393 B11R1.40 NC(CO)CC1=CC=CC=C1 Z234898263 [1,0,0,0,1,0|1,0,0]=3 394 B11R1.40 NC(CO)CC1=CC=NC=C1 Z1824511267 [1,0,0,0,1,0|2,0,0]=4 395 B11R1.40 NCC(F)CC1=CC=CC=C1 Z2740416678 [1,0,0,0,1,0|2,0,0]=4 396 B11R1.40 NCC(N)CC1=CC=CC=C1 Z425861056 [1,0,0,0,1,0|2,0,0]=4 397 B11R1.40 NCC(O)CC1=CC=CC=C1 Z419084966 [1,0,0,0,1,0|1,0,0]=3 398 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 Z1157651018 [1,0,0,0,1,0|1,0,0]=3 399 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 Z1741982891 [1,0,0,0,1,0|1,0,0]=3 400 B11R1.22 CC(CO)C1=CC=C(C=C1)F Z1255440783 [0,0,0,0,2,0|1,1,0]=4 401 B11R1.22 CC1=CC=C(C=C1)C(N)CO Z5087131901 [0,0,0,0,2,0|2,0,0]=4 402 B11R1.22 CC1=CC=C(C=C1)C(O)CN Z336086536 [0,0,0,0,2,0|2,0,0]=4 403 B11R1.22 CC1=CC=C(C=C1)[C@@H](O)CN Z1895741843 [0,0,0,0,2,0|2,0,0]=4 404 B11R1.22 CCC(N)C1=CC=C(C=C1)Cl Z221421644 [0,0,0,0,2,0|2,0,0]=4 405 B11R1.22 CCC(O)C1=CC=C(C=C1)C Z228586316 [0,0,0,0,2,0|2,0,0]=4 406 B11R1.22 CCC(O)C1=CC=C(C=C1)Cl Z228586168 [0,0,0,0,2,0|1,0,0]=3 407 B11R1.22 CCC(O)C1=CC=C(C=C1)F Z228586174 [0,0,0,0,2,0|1,1,0]=4 408 B11R1.22 CCC(O)C1=CC=C(C=C1)O Z228586170 [0,0,0,0,2,0|2,0,0]=4 409 B11R1.22 NC(CF)C1=CC=C(C=C1)Cl Z1510155807 [0,0,0,0,2,0|2,0,0]=4 410 B11R1.22 NC(CO)C1=CC=C(C=C1)Br Z2188171600 [0,0,0,0,2,0|1,1,0]=4 411 B11R1.22 NC(CO)C1=CC=C(C=C1)F Z1268152327 [0,0,0,0,2,0|1,1,0]=4 412 B11R1.22 NCC(O)C1=CC=C(C=C1)Cl Z295878600 [0,0,0,0,2,0|1,0,0]=3 413 B11R1.22 O=C(CO)C1=CC=C(C=C1)Cl Z906206720 [0,0,0,0,2,0|0,0,2]=4 414 B13R1.718 CC(CN)COCC1=CC=CC=C1 Z812516860 [1,0,0,0,0,1|2,0,0]=4 415 B13R1.718 CC(CO)OCCC1=CC=CC=C1 Z2235681135 [1,0,0,0,0,1|2,0,0]=4 416 B13R1.718 CCC(O)CNCC1=CC=CC=C1 Z600449726 [1,0,0,0,0,1|2,0,0]=4