0 B11R1.28 CCCCNC1=CC=NC=C1 F21501 [0,0,0,0,0,0|3,0,0]=3 1 B11R1.28 CCNCCC1=CC=CC=C1 AC5622 [0,0,0,0,0,0|2,0,0]=2 2 B11R1.28 N#CCCNC1=NC=CC=C1 N13320 [0,0,0,0,0,0|2,0,1]=3 3 B11R1.28 NCC\C=C\C1=CC=CC=C1 F15194 [0,0,0,0,0,0|2,0,2]=4 4 B11R1.28 NNCCOC1=CC=CC=C1 AC4849 [0,0,0,0,0,0|4,0,0]=4 5 B11R1.28 NOCCOC1=CC=CC=C1 AT21707 [0,0,0,0,0,0|4,0,0]=4 6 B11R1.28 OCCCCC1=CC=NC=C1 31475 [0,0,0,0,0,0|3,0,0]=3 7 B11R1.28 OCCSSC1=NC=CC=C1 AT21148 [0,0,0,0,0,0|3,0,0]=3 8 B10R1.17 CCCCC1=CC=CN=N1 O10974 [1,0,0,0,0,0|1,0,0]=2 9 B10R1.17 CNCCC1=CC=CN=C1 C73747 [1,0,0,0,0,0|3,0,0]=4 10 B10R1.17 CNCCC1=CC=NC=C1 AR1715 [1,0,0,0,0,0|3,0,0]=4 11 B10R1.17 CNNCC1=NC=CC=C1 30190 [1,0,0,0,0,0|2,0,0]=3 12 B10R1.17 FCCNC1=CC=CC=C1 D77931 [1,0,0,0,0,0|3,0,0]=4 13 B10R1.17 NCCNC1=NC=CC=C1 O12009 [1,0,0,0,0,0|2,0,0]=3 14 B10R1.17 NCCNC1=NC=CC=N1 AT18241 [1,0,0,0,0,0|3,0,0]=4 15 B10R1.17 NCCOC1=NC=CC=N1 AT18221 [1,0,0,0,0,0|3,0,0]=4 16 B10R1.17 NNCCC1=CC=CC=C1 AC4670 [1,0,0,0,0,0|3,0,0]=4 17 B10R1.17 NOCCC1=CC=CC=C1 C10179 [1,0,0,0,0,0|3,0,0]=4 18 B10R1.17 O=CCCC1=NC=CC=C1 P20552 [1,0,0,0,0,0|1,0,1]=3 19 B10R1.17 O=CNCC1=NC=CC=C1 AC6369 [1,0,0,0,0,0|2,0,1]=4 20 B10R1.17 OCCCC1=CCC=CC1 72320 [1,0,0,0,0,0|2,0,1]=4 21 B10R1.17 OCCCC1=CN=CC=C1 AC5531 [1,0,0,0,0,0|3,0,0]=4 22 B10R1.17 OCCNC1=NC=CC=N1 AT18240 [1,0,0,0,0,0|3,0,0]=4 23 B10R1.17 OCCOC1=NC=CC=C1 C90307 [1,0,0,0,0,0|2,0,0]=3 24 B10R1.17 SCCCC1=CN=CC=C1 F18019 [1,0,0,0,0,0|3,0,0]=4 25 B10R1.17 SCCCC1=NC=CC=C1 F18728 [1,0,0,0,0,0|1,0,0]=2 26 B12R1.1 BrCCCOC1=CC=C(Br)C=C1 88334 [0,1,0,0,0,0|3,0,0]=4 27 B12R1.1 BrCCOCC1=CC=C(Br)C=C1 N11537 [0,1,0,0,0,0|3,0,0]=4 28 B12R1.1 CC1=CC=C(OCCCBr)C=C1 F50438 [0,1,0,0,0,0|3,0,0]=4 29 B12R1.1 CCCCOC1=NC=C(Br)C=C1 F19758 [0,1,0,0,0,0|1,0,0]=2 30 B12R1.1 CCCNCC1=CC=C(Br)C=C1 C77919 [0,1,0,0,0,0|2,0,0]=3 31 B12R1.1 CCCNCC1=CC=C(C)C=C1 C78190 [0,1,0,0,0,0|2,0,0]=3 32 B12R1.1 CCCNCC1=CC=C(Cl)C=C1 C78300 [0,1,0,0,0,0|2,0,0]=3 33 B12R1.1 CCCNCC1=CC=C(F)C=C1 C78430 [0,1,0,0,0,0|2,0,0]=3 34 B12R1.1 CNCCCC1=CC=C(Br)C=C1 C78538 [0,1,0,0,0,0|2,0,0]=3 35 B12R1.1 CNCCCC1=CC=C(F)C=C1 C78234 [0,1,0,0,0,0|2,0,0]=3 36 B12R1.1 OCCOCC1=CC=C(Br)C=C1 N11527 [0,1,0,0,0,0|3,0,0]=4 37 B12R1.1 [O-][N+]1=CC=C(CCCCCl)C=C1 44579 [0,1,0,0,0,0|3,0,0]=4 38 B12R1.8 CCCNCCC1=NC=CC=C1 76839 [0,1,0,0,0,0|0,0,0]=1 39 B12R1.8 CNCCCOC1=CC=CC=C1 C77854 [0,1,0,0,0,0|2,0,0]=3 40 B12R1.8 NNCCCOC1=CC=CC=C1 AC4850 [0,1,0,0,0,0|3,0,0]=4 41 B12R1.27 COC(=O)CCC1=NC=CN=C1 C15360 [0,1,0,0,0,0|2,0,1]=4 42 B12R1.27 COC(=O)CCC1=NC=NC=C1 F14178 [0,1,0,0,0,0|2,0,1]=4 43 B12R1.27 C[C@@H](CO)OCC1=CC=CC=C1 AT22580 [0,1,0,0,0,0|3,0,0]=4 44 B12R1.28 BrCCCCC1=CC=CC(Br)=C1 AT22149 [0,1,0,0,0,0|2,0,0]=3 45 B12R1.28 BrCCCOC1=CC=CC(Br)=C1 97812 [0,1,0,0,0,0|3,0,0]=4 46 B12R1.28 CC1=CC=CC(OCCCO)=N1 N10106 [0,1,0,0,0,0|2,0,0]=3 47 B12R1.28 CCCCCC1=CC=CC(=O)O1 T70705 [0,1,0,0,0,0|1,0,0]=2 48 B12R1.28 CCCNCC1=CC(C)=CC=C1 C77940 [0,1,0,0,0,0|2,0,0]=3 49 B12R1.28 CCCNCC1=CC=CC(Br)=C1 C78566 [0,1,0,0,0,0|2,0,0]=3 50 B12R1.28 CCCNCC1=CC=CC(Cl)=C1 C78191 [0,1,0,0,0,0|2,0,0]=3 51 B12R1.28 CCCNCC1=CC=CC(F)=C1 C78563 [0,1,0,0,0,0|2,0,0]=3 52 B12R1.28 COCCNC1=NC=CC(N)=C1 F19660 [0,1,0,0,0,0|2,0,0]=3 53 B12R1.28 ClC1=CC=CC(OCCCBr)=C1 97802 [0,1,0,0,0,0|3,0,0]=4 54 B12R1.28 NC1=CC=CC(OCCCO)=C1 C77805 [0,1,0,0,0,0|3,0,0]=4 55 B12R1.28 NCCCNC1=NC=CC(Cl)=N1 D85699 [0,1,0,0,0,0|3,0,0]=4 56 B12R1.28 OCCCCC1=CC=CC(Br)=C1 AT22147 [0,1,0,0,0,0|2,0,0]=3 57 B12R1.30 CCCCC(=O)C1=CC=NC=C1 N14246 [0,1,0,0,0,0|2,0,1]=4 58 B12R1.30 CCCCC(=O)C1=NC=CC=C1 N12234 [0,1,0,0,0,0|0,0,1]=2 59 B12R1.30 CCCC[C@H](N)C1=CC=NC=C1 N12642 [0,1,0,0,0,0|2,0,0]=3 60 B12R1.30 CCCC[C@H](N)C1=NC=CC=C1 N12541 [0,1,0,0,0,0|0,0,0]=1 61 B12R1.30 CCOC[C@H](N)C1=CC=CC=C1 D73857 [0,1,0,0,0,0|2,0,0]=3 62 B12R1.30 C[C@H](NCCO)C1=CC=CC=C1 N12299 [0,1,0,0,0,0|3,0,0]=4 63 B12R1.30 C[C@H](NCCO)C1=CC=CC=C1 N12300 [0,1,0,0,0,0|3,0,0]=4 64 B12R1.30 O=C(NCCO)C1=NC=CC=C1 C73151 [0,1,0,0,0,0|2,0,1]=4 65 B12R1.32 CCOC(=O)OC1=NC=CC=C1 F18008 [0,1,0,0,0,0|2,0,1]=4 66 B12R1.32 CON[C@@H](C)CC1=CC=CC=C1 D79919 [0,1,0,0,0,0|3,0,0]=4 67 B12R1.252 CC(=O)CCCC1=CN=CC=C1 F53170 [0,1,0,0,0,0|2,0,1]=4 68 B12R1.252 C[C@H](Br)COCC1=CC=CC=C1 C92726 [0,1,0,0,0,0|2,0,0]=3 69 B12R1.252 C[C@H](Br)COCC1=CC=CC=C1 C92727 [0,1,0,0,0,0|2,0,0]=3 70 B12R1.252 C[C@H](O)CCCC1=CN=CC=C1 F53169 [0,1,0,0,0,0|2,0,0]=3 71 B12R1.252 C[C@H](O)CNCC1=CC=CC=C1 AC4615 [0,1,0,0,0,0|2,0,0]=3 72 B12R1.252 C[C@H](O)CNCC1=CC=CC=C1 AT23036 [0,1,0,0,0,0|2,0,0]=3 73 B12R1.252 C[C@H](O)CNCC1=CC=CC=C1 D71911 [0,1,0,0,0,0|2,0,0]=3 74 B12R1.252 N=C(N)SCCC1=NC=CC=C1 F17998 [0,1,0,0,0,0|2,0,1]=4 75 B12R1.252 O=C(O)CCNC1=NC=CC=C1 65602 [0,1,0,0,0,0|2,0,1]=4 76 B12R1.267 BrCCCCC1=C(Br)C=CC=C1 AT22148 [0,1,0,0,0,0|2,0,0]=3 77 B12R1.267 CCCNCC1=C(Br)C=CC=C1 C78484 [0,1,0,0,0,0|2,0,0]=3 78 B12R1.267 CCCNCC1=C(C)C=CC=C1 C78482 [0,1,0,0,0,0|2,0,0]=3 79 B12R1.267 CCCNCC1=C(Cl)C=CC=C1 C78483 [0,1,0,0,0,0|2,0,0]=3 80 B12R1.267 CCCNCC1=C(F)C=CC=C1 C78370 [0,1,0,0,0,0|2,0,0]=3 81 B12R1.267 CCNCCC1=C(F)C=CC=C1 AC6701 [0,1,0,0,0,0|2,0,0]=3 82 B12R1.267 COCOCC1=C(Br)C=CC=C1 C11531 [0,1,0,0,0,0|3,0,0]=4 83 B12R1.267 ClCCCOC1=C(Br)C=CC=C1 N10153 [0,1,0,0,0,0|3,0,0]=4 84 B12R1.267 NCCCOC1=C(F)C=CC=C1 AC7557 [0,1,0,0,0,0|3,0,0]=4 85 B12R1.267 OCCNCC1=C(F)C=CC=C1 AT15322 [0,1,0,0,0,0|3,0,0]=4 86 B10R0.91 CCCCC[C@H](O)\C=C\C=O AC8369 [0,0,1,0,0,0|2,0,1]=4 87 B12R2.1 CN[C@H]1CCC2=C1C=CC=C2 AT22267 [0,0,0,1,0,0|2,0,0]=3 88 B12R2.1 N#C[C@H]1CCC2=C1C=CC=C2 81813 [0,0,0,1,0,0|2,0,1]=4 89 B12R2.1 NC[C@H]1CCC2=C1C=CC=C2 20176 [0,0,0,1,0,0|2,0,0]=3 90 B12R2.1 NC[C@H]1CCC2=CC=CN=C21 C77541 [0,0,0,1,0,0|3,0,0]=4 91 B12R2.1 NC[C@H]1CNC2=C1C=CC=C2 AC7339 [0,0,0,1,0,0|3,0,0]=4 92 B12R2.1 O=C[C@@H]1CCC2=C1C=CC=C2 D78606 [0,0,0,1,0,0|2,0,1]=4 93 B12R2.1 OC[C@H]1CCC2=C1C=CC=C2 AC3163 [0,0,0,1,0,0|2,0,0]=3 94 B12R2.2 C1=CC([C@@H]2CCCN2)=CC=N1 CS3573 [0,0,0,1,0,0|3,0,0]=4 95 B12R2.2 C1=CC([C@@H]2CCCN2)=CC=N1 CS3576 [0,0,0,1,0,0|3,0,0]=4 96 B12R2.2 C1=CC=C(C2=CCCC2)C=C1 F14027 [0,0,0,1,0,0|1,0,2]=4 97 B12R2.2 C1=CC=C(C2OCCO2)C=C1 H10024 [0,0,0,1,0,0|3,0,0]=4 98 B12R2.2 C1=CC=C([C@@H]2CCON2)C=C1 E70057 [0,0,0,1,0,0|3,0,0]=4 99 B12R2.2 C1=CN=C(C2CCCC2)C=C1 C91562 [0,0,0,1,0,0|0,0,0]=1 100 B12R2.2 C1=CN=C([C@@H]2CCCN2)C=C1 Y11599 [0,0,0,1,0,0|1,0,0]=2 101 B12R2.2 C1=CN=C([C@@H]2CCCN2)N=C1 F53377 [0,0,0,1,0,0|2,0,0]=3 102 B12R2.2 C1=CN=CC([C@@H]2CCCN2)=C1 N14317 [0,0,0,1,0,0|3,0,0]=4 103 B12R2.2 C1=CN=CC([C@@H]2CCCN2)=C1 Y10529 [0,0,0,1,0,0|3,0,0]=4 104 B12R2.2 C1=CN=CC([C@H]2CCNC2)=C1 27259 [0,0,0,1,0,0|3,0,0]=4 105 B12R2.2 C1=CN=CC([C@H]2CCNC2)=C1 50282 [0,0,0,1,0,0|3,0,0]=4 106 B12R2.27 BrC[C@@H]1C[C@@H]1C2=CC=CC=C2 55233 [0,0,0,1,0,0|2,0,0]=3 107 B12R2.27 BrC[C@H]1C[C@@H]1C2=CC=CC=C2 55239 [0,0,0,1,0,0|2,0,0]=3 108 B12R2.27 O=CC1CC1C2=CC=CC=C2 F52095 [0,0,0,1,0,0|2,0,1]=4 109 B12R2.27 OCC1CC1C2=NC=CC=C2 91729 [0,0,0,1,0,0|1,0,0]=2 110 B12R2.27 OC[C@H]1C[C@@H]1C2=NC=CC=C2 91718 [0,0,0,1,0,0|1,0,0]=2 111 B12R2.41 C1=CC2=C(C=C1)NCCNC2 66604 [0,0,0,1,0,0|3,0,0]=4 112 B12R2.41 C1=CC2=C(C=C1)NCCOC2 98337 [0,0,0,1,0,0|3,0,0]=4 113 B12R2.41 C1=CC2=C(C=C1)OCCCN2 VT1384 [0,0,0,1,0,0|3,0,0]=4 114 B12R2.41 C1=CC2=C(C=C1)OCCNC2 C80018 [0,0,0,1,0,0|3,0,0]=4 115 B12R2.41 C1=CC2=C(C=N1)NCCCC2 D87077 [0,0,0,1,0,0|3,0,0]=4 116 B12R2.41 C1=CN=C2CCCCCC2=C1 F53451 [0,0,0,1,0,0|0,0,0]=1 117 B12R2.41 C1=CN=C2NCCNCC2=C1 AT20009 [0,0,0,1,0,0|2,0,0]=3 118 B12R2.1081 C=C1CCCC2=C1C=CC=C2 D87874 [0,0,0,1,0,0|1,0,2]=4 119 B12R2.1081 C[C@H]1CNCC2=C1C=CC=C2 71815 [0,0,0,1,0,0|2,0,0]=3 120 B12R2.1081 Cl[C@H]1CCCC2=C1C=CC=C2 A11734 [0,0,0,1,0,0|2,0,0]=3 121 B12R2.1081 Cl[C@H]1CCCC2=CC=CN=C21 P16790 [0,0,0,1,0,0|3,0,0]=4 122 B12R2.1081 N[C@H]1CCCC2=C1C=NC=C2 F13769 [0,0,0,1,0,0|3,0,0]=4 123 B12R2.1081 N[C@H]1CCCC2=CC=CN=C21 22992 [0,0,0,1,0,0|3,0,0]=4 124 B12R2.1081 N[C@H]1CSCC2=C1C=CC=C2 SC2891 [0,0,0,1,0,0|3,0,0]=4 125 B12R2.1081 O=C1CCCC2=NC=CN=C12 P11622 [0,0,0,1,0,0|2,0,1]=4 126 B12R2.1081 O[C@H]1CCCC2=C1C=CC=N2 90007 [0,0,0,1,0,0|1,0,0]=2 127 B12R2.1081 O[C@H]1CCCC2=CC=CN=C21 AC7539 [0,0,0,1,0,0|3,0,0]=4 128 B12R2.1081 O[C@H]1CNCC2=C1C=CC=C2 95583 [0,0,0,1,0,0|3,0,0]=4 129 B12R2.1081 O[C@H]1CNCC2=C1C=CC=C2 F13197 [0,0,0,1,0,0|3,0,0]=4 130 B12R2.2057 C1=CC(CNC2CC2)=CC=N1 AC5083 [0,0,0,1,0,0|3,0,0]=4 131 B12R2.2058 C1=CN=C(OC2CNC2)C=C1 88530 [0,0,0,1,0,0|2,0,0]=3 132 B12R2.2058 C1=CN=C(OC2CNC2)N=C1 AT18236 [0,0,0,1,0,0|3,0,0]=4 133 B10R1.21 BrCCCCN1C=CN=N1 AC4803 [0,0,0,0,1,0|3,0,0]=4 134 B10R1.21 BrCCCCN1C=NC=N1 AC2906 [0,0,0,0,1,0|3,0,0]=4 135 B10R1.21 CCCCCN1C=CN=C1 AC5153 [0,0,0,0,1,0|2,0,0]=3 136 B10R1.21 CNCCCN1C=CN=C1 72851 [0,0,0,0,1,0|3,0,0]=4 137 B10R1.21 OCCNCC1=CC=CO1 F16080 [0,0,0,0,1,0|3,0,0]=4 138 B9R1.8 CCCC1=CC=CN=C1 O11051 [2,0,0,0,0,0|2,0,0]=4 139 B9R1.8 CCC[N+]1=CC=CC=C1 T72121 [2,0,0,0,0,0|2,0,0]=4 140 B9R1.8 CCNC1=NC=CN=C1 C76036 [2,0,0,0,0,0|2,0,0]=4 141 B9R1.8 CNCC1=NC=CC=N1 27199 [2,0,0,0,0,0|2,0,0]=4 142 B9R1.8 CNCC1=NC=CC=N1 72796 [2,0,0,0,0,0|2,0,0]=4 143 B9R1.8 CNCC1=NC=NC=C1 C14477 [2,0,0,0,0,0|2,0,0]=4 144 B9R1.8 FCCC1=CC=CC=C1 75534 [2,0,0,0,0,0|2,0,0]=4 145 B9R1.8 NCCC1=CC=CC=C1 T71816 [2,0,0,0,0,0|2,0,0]=4 146 B9R1.8 NCCC1=CC=CC=C1 T72591 [2,0,0,0,0,0|2,0,0]=4 147 B9R1.8 NCCC1=NC=CC=N1 83201 [2,0,0,0,0,0|2,0,0]=4 148 B9R1.8 NCCC1=NC=CC=N1 P10852 [2,0,0,0,0,0|2,0,0]=4 149 B9R1.8 NCCC1=NC=CN=C1 AT22557 [2,0,0,0,0,0|2,0,0]=4 150 B9R1.8 NCCC1=NC=NC=C1 P10950 [2,0,0,0,0,0|2,0,0]=4 151 B9R1.8 NNCC1=NC=CC=C1 P10521 [2,0,0,0,0,0|2,0,0]=4 152 B9R1.8 OCCC1=NN=CC=C1 D77083 [2,0,0,0,0,0|2,0,0]=4 153 B9R1.8 SCCC1=NC=CC=C1 F18309 [2,0,0,0,0,0|1,0,0]=3 154 B11R1.1 CC1=CC=C(CCCN)C=C1 C78299 [1,1,0,0,0,0|2,0,0]=4 155 B11R1.1 CNCCC1=CC=C(Br)C=C1 C78422 [1,1,0,0,0,0|2,0,0]=4 156 B11R1.1 CNCCC1=CC=C(C)C=C1 C78074 [1,1,0,0,0,0|2,0,0]=4 157 B11R1.1 CNCCC1=NC=C(Br)C=N1 AT18381 [1,1,0,0,0,0|2,0,0]=4 158 B11R1.1 COCCC1=CC=C(Br)C=C1 28244 [1,1,0,0,0,0|2,0,0]=4 159 B11R1.1 COCCC1=CC=C(N)C=C1 F11764 [1,1,0,0,0,0|2,0,0]=4 160 B11R1.1 COCOC1=NC=C(Br)C=C1 F19737 [1,1,0,0,0,0|2,0,0]=4 161 B11R1.1 ClC1=CC=C(CCCBr)C=C1 S11935 [1,1,0,0,0,0|2,0,0]=4 162 B11R1.1 NCCCC1=CC=C(N)C=C1 C78351 [1,1,0,0,0,0|2,0,0]=4 163 B11R1.1 OCCOC1=NC=C(Br)C=C1 F19748 [1,1,0,0,0,0|2,0,0]=4 164 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 N12265 [1,1,0,0,0,0|1,0,0]=3 165 B11R1.16 CCOC(=N)C1=NC=CC=C1 F18164 [1,1,0,0,0,0|1,0,1]=4 166 B11R1.16 CNC[C@H](C)C1=CC=CC=C1 C11240 [1,1,0,0,0,0|2,0,0]=4 167 B11R1.16 CNC[C@H](O)C1=CC=CC=C1 C11214 [1,1,0,0,0,0|2,0,0]=4 168 B11R1.16 COC[C@H](N)C1=CC=CC=C1 AC6537 [1,1,0,0,0,0|2,0,0]=4 169 B11R1.16 NCC[C@H](N)C1=CC=CC=C1 N14729 [1,1,0,0,0,0|2,0,0]=4 170 B11R1.16 NCC[C@H](N)C1=CC=CC=C1 N14730 [1,1,0,0,0,0|2,0,0]=4 171 B11R1.16 OCC[C@H](O)C1=CC=CC=C1 C80043 [1,1,0,0,0,0|2,0,0]=4 172 B11R1.17 BrCCCC1=C(Br)C=CC=C1 C77748 [1,1,0,0,0,0|2,0,0]=4 173 B11R1.17 CC1=CC=CN=C1CCCN W10139 [1,1,0,0,0,0|1,0,0]=3 174 B11R1.17 CCCOC1=C(N)C=CC=C1 AC7746 [1,1,0,0,0,0|2,0,0]=4 175 B11R1.17 CCNCC1=C(Cl)C=CC=C1 C16114 [1,1,0,0,0,0|2,0,0]=4 176 B11R1.17 CNCCC1=C(C)C=CC=C1 C78447 [1,1,0,0,0,0|2,0,0]=4 177 B11R1.17 CNCCC1=C(Cl)C=CC=C1 C78279 [1,1,0,0,0,0|2,0,0]=4 178 B11R1.17 ClC1=C(CCCBr)C=CC=C1 C78298 [1,1,0,0,0,0|2,0,0]=4 179 B11R1.17 NCCCC1=C(Cl)C=CC=C1 C78000 [1,1,0,0,0,0|2,0,0]=4 180 B11R1.17 NCCCC1=C(F)C=CC=C1 F20045 [1,1,0,0,0,0|2,0,0]=4 181 B11R1.17 OCCCC1=C(O)C=CC=N1 85302 [1,1,0,0,0,0|1,0,0]=3 182 B11R1.24 BrCCCC1=CC=CC(Br)=C1 C77758 [1,1,0,0,0,0|2,0,0]=4 183 B11R1.24 CC1=CC(CCCN)=NC=C1 W10140 [1,1,0,0,0,0|1,0,0]=3 184 B11R1.24 CC1=CC=CC(OCCO)=N1 N10107 [1,1,0,0,0,0|2,0,0]=4 185 B11R1.24 CCCC[N+]1=CC(C)=CC=C1 C93515 [1,1,0,0,0,0|2,0,0]=4 186 B11R1.24 CCOCC1=CC=CC(Br)=C1 F17773 [1,1,0,0,0,0|2,0,0]=4 187 B11R1.24 CNCCC1=CC=CC(Br)=C1 C78466 [1,1,0,0,0,0|2,0,0]=4 188 B11R1.24 ClC1=CC=CC(CCCBr)=C1 C78574 [1,1,0,0,0,0|2,0,0]=4 189 B11R1.24 NC1=CC(CCCO)=NC=C1 AC5942 [1,1,0,0,0,0|1,0,0]=3 190 B11R1.24 NCCCC1=CC=CC(F)=C1 97619 [1,1,0,0,0,0|2,0,0]=4 191 B11R1.24 NCCCC1=CC=CC(N)=C1 C78147 [1,1,0,0,0,0|2,0,0]=4 192 B11R1.24 NCCCC1=CC=CC(O)=C1 C78310 [1,1,0,0,0,0|2,0,0]=4 193 B11R1.40 CC[C@H](N)CC1=CC=CC=C1 74053 [1,1,0,0,0,0|1,0,0]=3 194 B11R1.40 NC[C@@H](N)CC1=CC=CC=C1 N14383 [1,1,0,0,0,0|2,0,0]=4 195 B11R1.40 NC[C@@H](N)CC1=CC=CC=C1 N14384 [1,1,0,0,0,0|2,0,0]=4 196 B11R1.40 NC[C@@H](N)CC1=CC=CC=C1 N14385 [1,1,0,0,0,0|2,0,0]=4 197 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 C78372 [1,1,0,0,0,0|2,0,0]=4 198 B11R1.91 CC(=O)COC1=NC=CC=C1 AC9007 [1,1,0,0,0,0|1,0,1]=4 199 B11R1.91 C[C@H](N)COC1=CC=CC=C1 N12753 [1,1,0,0,0,0|2,0,0]=4 200 B11R1.91 C[C@H](N)COC1=CC=CC=C1 N12763 [1,1,0,0,0,0|2,0,0]=4 201 B11R1.91 C[C@H](N)CSC1=CC=CC=C1 AT26670 [1,1,0,0,0,0|2,0,0]=4 202 B11R1.91 N=C(N)CCC1=NC=CC=C1 C14497 [1,1,0,0,0,0|1,0,1]=4 203 B11R1.91 NC(=O)CCC1=NC=CC=C1 AC6900 [1,1,0,0,0,0|1,0,1]=4 204 B11R1.4 BrCCCCCN1C=CN=N1 AC5229 [0,1,0,0,1,0|2,0,0]=4 205 B11R1.4 BrCCCCCN1C=NC=N1 AC3871 [0,1,0,0,1,0|2,0,0]=4 206 B11R1.4 CCCCOCC1=CC=CO1 S11931 [0,1,0,0,1,0|1,0,0]=3 207 B11R1.29 CCCCC(=O)C1=CC=CO1 N14288 [0,1,0,0,1,0|1,0,1]=4 208 B11R1.29 CCCC[C@H](N)C1=CC=CO1 N16698 [0,1,0,0,1,0|1,0,0]=3 209 B11R1.29 CCCC[C@H](N)C1=CC=CO1 N16699 [0,1,0,0,1,0|1,0,0]=3 210 B11R1.29 CCCC[C@H](N)C1=CC=CO1 N16700 [0,1,0,0,1,0|1,0,0]=3 211 B11R1.29 CCCC[C@H](N)C1=COC=C1 N16729 [0,1,0,0,1,0|1,0,0]=3 212 B11R1.29 CCCC[C@H](N)C1=COC=C1 N16730 [0,1,0,0,1,0|1,0,0]=3 213 B11R1.29 CCCC[C@H](N)C1=COC=C1 N16731 [0,1,0,0,1,0|1,0,0]=3 214 B13R1.9 BrCCCCOC1=CC=C(Br)C=C1 97809 [0,2,0,0,0,0|2,0,0]=4 215 B13R1.9 CCCCNCC1=CC=C(Br)C=C1 C78342 [0,2,0,0,0,0|1,0,0]=3 216 B13R1.9 CCCCNCC1=CC=C(C)C=C1 C77943 [0,2,0,0,0,0|1,0,0]=3 217 B13R1.9 CCCCNCC1=CC=C(Cl)C=C1 C77944 [0,2,0,0,0,0|1,0,0]=3 218 B13R1.9 CCCCNCC1=CC=C(F)C=C1 C78339 [0,2,0,0,0,0|1,0,0]=3 219 B13R1.9 COCCCNC1=NC=C(Br)C=N1 23994 [0,2,0,0,0,0|2,0,0]=4 220 B13R1.17 COCC[C@H](N)C1=CC=C(C)C=C1 N13831 [0,2,0,0,0,0|2,0,0]=4 221 B13R1.17 COCC[C@H](N)C1=CC=C(Cl)C=C1 N13828 [0,2,0,0,0,0|2,0,0]=4 222 B13R1.17 COCC[C@H](N)C1=CC=C(F)C=C1 N13797 [0,2,0,0,0,0|2,0,0]=4 223 B13R1.19 CCCC(=O)CC1=CC=C(Br)C=C1 N14161 [0,2,0,0,0,0|1,0,1]=4 224 B13R1.19 CCCC(=O)CC1=CC=C(C)C=C1 N14169 [0,2,0,0,0,0|1,0,1]=4 225 B13R1.19 CCCC(=O)CC1=CC=C(Cl)C=C1 N14153 [0,2,0,0,0,0|1,0,1]=4 226 B13R1.19 CCCC(=O)CC1=CC=C(F)C=C1 N14143 [0,2,0,0,0,0|1,0,1]=4 227 B13R1.19 CCC[C@H](N)CC1=CC=C(C)C=C1 N14551 [0,2,0,0,0,0|1,0,0]=3 228 B13R1.19 CCC[C@H](N)CC1=CC=C(Cl)C=C1 N14548 [0,2,0,0,0,0|1,0,0]=3 229 B13R1.19 CCC[C@H](N)CC1=CC=C(F)C=C1 N14544 [0,2,0,0,0,0|1,0,0]=3 230 B13R1.371 CCCCNC1=NC=C(C=O)C=C1 FD10600 [0,2,0,0,0,0|1,0,0]=3 231 B13R1.371 CCCNCC1=CC=C(OC)C=C1 C78567 [0,2,0,0,0,0|2,0,0]=4 232 B13R1.371 CNCCCC1=CC=C(OC)C=C1 C78497 [0,2,0,0,0,0|2,0,0]=4 233 B13R1.371 COC1=CC=C(CCCCN)C=C1 F17498 [0,2,0,0,0,0|2,0,0]=4 234 B13R1.513 CC(C)CNCC1=CC=C(Br)C=C1 11874 [0,2,0,0,0,0|2,0,0]=4 235 B13R1.669 CNCCCC1=CC(F)=C(F)C=C1 C78235 [0,2,0,0,0,0|2,0,0]=4 236 B13R1.6 BrCCCCOC1=CC=CC(Br)=C1 97813 [0,2,0,0,0,0|2,0,0]=4 237 B13R1.6 CCCCNCC1=CC(C)=CC=C1 C78344 [0,2,0,0,0,0|1,0,0]=3 238 B13R1.6 CCCCNCC1=CC=CC(Br)=C1 C78341 [0,2,0,0,0,0|1,0,0]=3 239 B13R1.6 CCCCNCC1=CC=CC(Cl)=C1 C77945 [0,2,0,0,0,0|1,0,0]=3 240 B13R1.6 CCCCNCC1=CC=CC(F)=C1 C78338 [0,2,0,0,0,0|1,0,0]=3 241 B13R1.6 CCOCCOC1=CC=CC(Br)=C1 N11546 [0,2,0,0,0,0|2,0,0]=4 242 B13R1.6 COCCCNC1=NC=CC(Cl)=N1 E71678 [0,2,0,0,0,0|2,0,0]=4 243 B13R1.6 COCCCOC1=CC(N)=CC=C1 F13498 [0,2,0,0,0,0|2,0,0]=4 244 B13R1.6 ClC1=CC=CC(OCCCCBr)=C1 97803 [0,2,0,0,0,0|2,0,0]=4 245 B13R1.24 C=CCCC[C@H](O)C1=CC=CC=C1 96854 [0,2,0,0,0,0|1,0,1]=4 246 B13R1.24 CCCCC[C@H](N)C1=CC=CC=C1 N12530 [0,2,0,0,0,0|1,0,0]=3 247 B13R1.28 CCCCOCCC1=CC=CC=C1 S10144 [0,2,0,0,0,0|1,0,0]=3 248 B13R1.28 CNCCCOCC1=CC=CC=C1 C78008 [0,2,0,0,0,0|1,0,0]=3 249 B13R1.42 CCC[C@H](O)CCC1=CC=CC=C1 F19746 [0,2,0,0,0,0|1,0,0]=3 250 B13R1.42 CCOC(=O)CCC1=NC=CC=N1 F14067 [0,2,0,0,0,0|1,0,1]=4 251 B13R1.337 CC(C)CCNCC1=CC=CC=C1 F52160 [0,2,0,0,0,0|1,0,0]=3 252 B13R1.337 CN(C)CCCOC1=CC=CC=C1 S10605 [0,2,0,0,0,0|2,0,0]=4 253 B13R1.337 C[C@H](O)CCOCC1=CC=CC=C1 AT15545 [0,2,0,0,0,0|1,0,0]=3 254 B13R1.555 BrCCCCOC1=C(Br)C=CC=C1 F50545 [0,2,0,0,0,0|2,0,0]=4 255 B13R1.555 CCCCC#CC1=C(N)C=CC=C1 F21403 [0,2,0,0,0,0|1,0,1]=4 256 B13R1.555 CCCCNCC1=C(Br)C=CC=C1 C78340 [0,2,0,0,0,0|1,0,0]=3 257 B13R1.555 CCCCNCC1=C(C)C=CC=C1 C78343 [0,2,0,0,0,0|1,0,0]=3 258 B13R1.555 CCCCNCC1=C(Cl)C=CC=C1 C77946 [0,2,0,0,0,0|1,0,0]=3 259 B13R1.555 CCCCNCC1=C(F)C=CC=C1 C78337 [0,2,0,0,0,0|1,0,0]=3 260 B13R1.718 C[C@@H](CO)COCC1=CC=CC=C1 50122 [0,2,0,0,0,0|2,0,0]=4 261 B13R1.718 NC[C@H](F)COCC1=CC=CC=C1 92939 [0,2,0,0,0,0|2,0,0]=4 262 B13R1.718 NC[C@H](O)COCC1=CC=CC=C1 77446 [0,2,0,0,0,0|2,0,0]=4 263 B13R1.718 NC[C@H](O)COCC1=CC=CC=C1 AT18638 [0,2,0,0,0,0|2,0,0]=4 264 B13R1.718 NC[C@H](O)COCC1=CC=CC=C1 AT18639 [0,2,0,0,0,0|2,0,0]=4 265 B13R1.718 N[C@@H](CO)CSCC1=CC=CC=C1 AT13352 [0,2,0,0,0,0|2,0,0]=4 266 B13R1.718 O[C@H](CBr)COCC1=CC=CC=C1 T70304 [0,2,0,0,0,0|2,0,0]=4 267 B13R1.718 O[C@H](CCl)CNCC1=CC=CC=C1 C12977 [0,2,0,0,0,0|2,0,0]=4 268 B13R1.718 O[C@H](CCl)COCC1=CC=CC=C1 D72522 [0,2,0,0,0,0|2,0,0]=4 269 B13R1.15 COC(=O)CCC1=CC=CC(Br)=N1 C92216 [0,2,0,0,0,0|1,0,1]=4 270 B13R1.351 C[C@H](O)[C@H](C)OCC1=CC=CC=C1 P19299 [0,2,0,0,0,0|2,0,0]=4 271 B13R1.417 CCC(CC)NCC1=CC=CC=C1 79980 [0,2,0,0,0,0|2,0,0]=4 272 B13R1.417 CCN(CC)CCC1=CC=CC=C1 F12469 [0,2,0,0,0,0|2,0,0]=4 273 B13R1.417 CC[C@@H](CO)NCC1=CC=CC=C1 AT20438 [0,2,0,0,0,0|2,0,0]=4 274 B13R1.417 CC[C@@H](CO)NCC1=CC=CC=C1 AT20477 [0,2,0,0,0,0|2,0,0]=4 275 B13R1.18 CCCCC(=O)C1=CC(C)=CC=C1 N13970 [0,2,0,0,0,0|1,0,1]=4 276 B13R1.18 CCCCC(=O)C1=CC=CC(Br)=C1 N13964 [0,2,0,0,0,0|1,0,1]=4 277 B13R1.18 CCCCC(=O)C1=CC=CC(Cl)=C1 N13956 [0,2,0,0,0,0|1,0,1]=4 278 B13R1.18 CCCCC(=O)C1=NC=CC(Cl)=C1 N14250 [0,2,0,0,0,0|0,0,1]=3 279 B13R1.18 COCC[C@H](N)C1=CC(C)=CC=C1 N13830 [0,2,0,0,0,0|2,0,0]=4 280 B13R1.18 COCC[C@H](N)C1=CC=CC(Cl)=C1 N13827 [0,2,0,0,0,0|2,0,0]=4 281 B13R1.18 COCC[C@H](N)C1=CC=CC(F)=C1 N13796 [0,2,0,0,0,0|2,0,0]=4 282 B13R1.20 CCCC(=O)CC1=CC(C)=CC=C1 N14167 [0,2,0,0,0,0|1,0,1]=4 283 B13R1.20 CCCC(=O)CC1=CC=CC(Br)=C1 N14159 [0,2,0,0,0,0|1,0,1]=4 284 B13R1.20 CCCC(=O)CC1=CC=CC(Cl)=C1 N14151 [0,2,0,0,0,0|1,0,1]=4 285 B13R1.20 CCCC(=O)CC1=CC=CC(F)=C1 N14138 [0,2,0,0,0,0|1,0,1]=4 286 B13R1.20 CCC[C@H](N)CC1=CC(C)=CC=C1 N14537 [0,2,0,0,0,0|1,0,0]=3 287 B13R1.20 CCC[C@H](N)CC1=CC=CC(Br)=C1 N14533 [0,2,0,0,0,0|1,0,0]=3 288 B13R1.20 CCC[C@H](N)CC1=CC=CC(Cl)=C1 N14528 [0,2,0,0,0,0|1,0,0]=3 289 B13R1.20 CCC[C@H](N)CC1=CC=CC(F)=C1 N14525 [0,2,0,0,0,0|1,0,0]=3 290 B13R1.55 CCCCOC1=CC(F)=CC(F)=C1 75697 [0,2,0,0,0,0|2,0,0]=4 291 B13R1.666 CCCCOC1=CC=CC(C=O)=C1 S11902 [0,2,0,0,0,0|2,0,0]=4 292 B13R1.666 CCCNCC1=CC=CC(OC)=C1 C78449 [0,2,0,0,0,0|2,0,0]=4 293 B13R1.666 CNCCCC1=CC=CC(OC)=C1 C77751 [0,2,0,0,0,0|2,0,0]=4 294 B13R1.674 CCCCC(=O)C1=C(C)C=CC=C1 N13967 [0,2,0,0,0,0|1,0,1]=4 295 B13R1.674 CCCCC(=O)C1=C(Cl)C=CC=C1 N13953 [0,2,0,0,0,0|1,0,1]=4 296 B13R1.674 CCCCC(=O)C1=NC=CC=C1C N12293 [0,2,0,0,0,0|0,0,1]=3 297 B13R1.674 COCC[C@H](N)C1=C(C)C=CC=C1 N13829 [0,2,0,0,0,0|2,0,0]=4 298 B13R1.674 COCC[C@H](N)C1=C(Cl)C=CC=C1 N13826 [0,2,0,0,0,0|2,0,0]=4 299 B13R1.674 COCC[C@H](N)C1=C(F)C=CC=C1 N13795 [0,2,0,0,0,0|2,0,0]=4 300 B13R1.348 CN(C)C[C@@H](N)CC1=CC=CC=C1 53133 [0,2,0,0,0,0|2,0,0]=4 301 B13R1.348 CN(C)C[C@@H](N)CC1=CC=CC=C1 AT22332 [0,2,0,0,0,0|2,0,0]=4 302 B13R1.348 CN(C)C[C@@H](N)CC1=CC=CC=C1 C78125 [0,2,0,0,0,0|2,0,0]=4 303 B13R1.470 CCCC(=O)CC1=C(Br)C=CC=C1 N14157 [0,2,0,0,0,0|1,0,1]=4 304 B13R1.470 CCCC(=O)CC1=C(C)C=CC=C1 N14164 [0,2,0,0,0,0|1,0,1]=4 305 B13R1.470 CCCC(=O)CC1=C(Cl)C=CC=C1 N14148 [0,2,0,0,0,0|1,0,1]=4 306 B13R1.470 CCCC(=O)CC1=C(F)C=CC=C1 N14135 [0,2,0,0,0,0|1,0,1]=4 307 B13R1.470 CCC[C@H](N)CC1=C(Br)C=CC=C1 N14511 [0,2,0,0,0,0|1,0,0]=3 308 B13R1.470 CCC[C@H](N)CC1=C(C)C=CC=C1 N14513 [0,2,0,0,0,0|1,0,0]=3 309 B13R1.470 CCC[C@H](N)CC1=C(Cl)C=CC=C1 N14501 [0,2,0,0,0,0|1,0,0]=3 310 B13R1.470 CCC[C@H](N)CC1=C(F)C=CC=C1 N14506 [0,2,0,0,0,0|1,0,0]=3 311 B13R1.470 CCOC(=O)CC1=NC=CC=C1O P12794 [0,2,0,0,0,0|1,0,1]=4 312 B13R1.3523 CS(=O)(=O)OCCC1=NC=CC=C1 F18441 [0,2,0,0,0,0|2,0,0]=4 313 B13R1.84 CNCCCC1=C(OC)C=CC=C1 C77726 [0,2,0,0,0,0|2,0,0]=4 314 B11R2.1 C[C@@H]1N=NC2=NC=CC=C21 F17908 [1,0,0,1,0,0|2,0,0]=4 315 B11R2.1 C[C@@H]1NCC2=NC=NC=C21 82267 [1,0,0,1,0,0|2,0,0]=4 316 B11R2.1 C[C@H]1CNC2=C1C=CC=C2 W18948 [1,0,0,1,0,0|2,0,0]=4 317 B11R2.1 N[C@H]1CCC2=C1C=CC=C2 41003 [1,0,0,1,0,0|2,0,0]=4 318 B11R2.1 N[C@H]1CCC2=NC=CC=C21 D79496 [1,0,0,1,0,0|1,0,0]=3 319 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 C14923 [1,0,0,1,0,0|2,0,0]=4 320 B11R2.20 C1=CN=C2CNCCC2=C1 P10652 [1,0,0,1,0,0|1,0,0]=3 321 B11R2.20 C1=NC=C2CCNCC2=N1 P19161 [1,0,0,1,0,0|2,0,0]=4 322 B11R2.239 C1=CC(C2CNC2)=NC=N1 74669 [1,0,0,1,0,0|2,0,0]=4 323 B11R2.239 C1=CC=C(C2CCC2)C=C1 F52090 [1,0,0,1,0,0|1,0,0]=3 324 B11R2.239 C1=CC=C([C@@H]2CCN2)C=C1 A50749 [1,0,0,1,0,0|2,0,0]=4 325 B11R2.239 C1=CN=C(C2CNC2)C=C1 F31095 [1,0,0,1,0,0|1,0,0]=3 326 B11R2.988 NC[C@H]1CC2=C1C=CC=C2 AT20374 [1,0,0,1,0,0|2,0,0]=4 327 B11R2.988 OC[C@H]1CC2=C1C=CC=C2 67862 [1,0,0,1,0,0|2,0,0]=4 328 B11R2.2 C1=CN(C2CCCC2)C=N1 AC6677 [0,0,0,1,1,0|2,0,0]=4 329 B11R2.2 C1=CN([C@H]2CCOC2)N=C1 W15558 [0,0,0,1,1,0|2,0,0]=4 330 B11R2.2 C1=CNC([C@@H]2CCCN2)=C1 N12568 [0,0,0,1,1,0|1,0,1]=4 331 B11R2.2 C1=COC([C@@H]2CCCN2)=C1 N16712 [0,0,0,1,1,0|2,0,0]=4 332 B11R2.2 C1=COC([C@@H]2CCCN2)=C1 N16713 [0,0,0,1,1,0|2,0,0]=4 333 B11R2.2 C1=CSC([C@@H]2CCCN2)=C1 N12499 [0,0,0,1,1,0|2,0,0]=4 334 B11R2.2 C1=NC([C@@H]2CCCN2)=CS1 N14695 [0,0,0,1,1,0|2,0,0]=4 335 B11R2.18 C1=CC2=C(CCCNC2)S1 D86998 [0,0,0,1,1,0|2,0,0]=4 336 B11R2.18 C1=CC2=C(CNCCC2)S1 70776 [0,0,0,1,1,0|2,0,0]=4 337 B11R2.18 C1=NC2=C(CCNCC2)N1 72475 [0,0,0,1,1,0|2,0,0]=4 338 B11R2.18 C1=NC2=C(CCNCC2)N1 W10124 [0,0,0,1,1,0|2,0,0]=4 339 B11R2.18 C1=NC2=C(CCNCC2)S1 F30392 [0,0,0,1,1,0|2,0,0]=4 340 B13R2.12 BrC1=CN=C([C@@H]2CCCN2)C=C1 Y10485 [0,1,0,1,0,0|1,0,0]=3 341 B13R2.12 FC1=CC=C([C@H]2CCNC2)C=C1 65719 [0,1,0,1,0,0|2,0,0]=4 342 B13R2.12 FC1=CN=C([C@@H]2CCCN2)C=C1 Y11456 [0,1,0,1,0,0|1,0,0]=3 343 B13R2.12 NC1=CC=C([C@H]2CCNC2)C=C1 N14869 [0,1,0,1,0,0|2,0,0]=4 344 B13R2.12 NC1=CN=C(N2CCCC2)C=N1 92025 [0,1,0,1,0,0|2,0,0]=4 345 B13R2.12 OC1=CC=C([C@@H]2CCCN2)C=C1 N11133 [0,1,0,1,0,0|2,0,0]=4 346 B13R2.12 OC1=CC=C([C@@H]2CCCN2)C=C1 N11442 [0,1,0,1,0,0|2,0,0]=4 347 B13R2.162 N[C@H]1CCCC2=C1C=C(F)C=C2 N11009 [0,1,0,1,0,0|2,0,0]=4 348 B13R2.162 N[C@H]1CCCC2=C1C=C(F)C=C2 N11074 [0,1,0,1,0,0|2,0,0]=4 349 B13R2.162 N[C@H]1CCCC2=C1C=C(F)C=C2 N13129 [0,1,0,1,0,0|2,0,0]=4 350 B13R2.162 O[C@H]1CCCC2=C1C=C(Cl)C=C2 N13025 [0,1,0,1,0,0|2,0,0]=4 351 B13R2.162 O[C@H]1CCCC2=C1C=C(F)C=C2 N14444 [0,1,0,1,0,0|2,0,0]=4 352 B13R2.527 BrC1=CN=C(NCC2CC2)C=C1 D76980 [0,1,0,1,0,0|1,0,0]=3 353 B13R2.527 ClC1=NN=C(CNC2CC2)C=C1 78912 [0,1,0,1,0,0|2,0,0]=4 354 B13R2.527 NC1=CC=C(OCC2CC2)C=C1 F20030 [0,1,0,1,0,0|2,0,0]=4 355 B13R2.527 OC1=CN=C(OCC2CC2)C=C1 96076 [0,1,0,1,0,0|1,0,0]=3 356 B13R2.1069 FC1=CC=C(CC2CNC2)C=C1 P10690 [0,1,0,1,0,0|2,0,0]=4 357 B13R2.1069 FC1=CN=C(OC2CCC2)C=C1 95324 [0,1,0,1,0,0|1,0,0]=3 358 B13R2.1069 NC1=CN=C(OC2COC2)C=C1 P12712 [0,1,0,1,0,0|2,0,0]=4 359 B13R2.3729 BrC1=CC2=C(C=C1)CCCNC2 D85465 [0,1,0,1,0,0|2,0,0]=4 360 B13R2.3729 BrC1=CC2=C(C=C1)CCCOC2 F52895 [0,1,0,1,0,0|2,0,0]=4 361 B13R2.3729 BrC1=CC2=C(C=C1)NCCCC2 AT10607 [0,1,0,1,0,0|2,0,0]=4 362 B13R2.3729 BrC1=CN=C2CCCCCC2=C1 F30814 [0,1,0,1,0,0|0,0,0]=2 363 B13R2.3729 ClC1=NC2=C(C=C1)CCNCC2 P11147 [0,1,0,1,0,0|1,0,0]=3 364 B13R2.3729 FC1=CC2=C(C=C1)CCCNC2 51232 [0,1,0,1,0,0|2,0,0]=4 365 B13R2.3729 NC1=CC2=C(C=C1)CCCCN2 32131 [0,1,0,1,0,0|2,0,0]=4 366 B13R2.3729 NC1=CN=C2CCCCCC2=C1 F30813 [0,1,0,1,0,0|0,0,0]=2 367 B13R2.3729 NC1=NC2=C(C=N1)CCCCC2 95189 [0,1,0,1,0,0|1,0,0]=3 368 B13R2.3729 OC1=CC2=C(C=C1)CCCNC2 C90439 [0,1,0,1,0,0|2,0,0]=4 369 B13R2.3729 OC1=CC2=C(C=C1)CCNCC2 85919 [0,1,0,1,0,0|2,0,0]=4 370 B13R2.3729 OC1=CC2=C(C=C1)CCNCC2 P20370 [0,1,0,1,0,0|2,0,0]=4 371 B13R2.3729 OC1=CN=C2CCCCCC2=C1 F30815 [0,1,0,1,0,0|0,0,0]=2 372 B13R2.3 C1=CC(C2CCNCC2)=CC=N1 F19968 [0,1,0,1,0,0|2,0,0]=4 373 B13R2.3 C1=CC(C2CCNCC2)=NC=N1 C90179 [0,1,0,1,0,0|1,0,0]=3 374 B13R2.3 C1=CC(N2CCNCC2)=NC=N1 AT18347 [0,1,0,1,0,0|2,0,0]=4 375 B13R2.3 C1=CC([C@@H]2CCCCN2)=CC=N1 F10482 [0,1,0,1,0,0|2,0,0]=4 376 B13R2.3 C1=CC=C(N2CCNCC2)C=C1 C12583 [0,1,0,1,0,0|2,0,0]=4 377 B13R2.3 C1=CC=C([C@@H]2CC=CCC2)C=C1 T72524 [0,1,0,1,0,0|1,0,1]=4 378 B13R2.3 C1=CC=C([C@@H]2CCCCN2)C=C1 AT22864 [0,1,0,1,0,0|1,0,0]=3 379 B13R2.3 C1=CC=C([C@@H]2CNCCO2)C=C1 F18968 [0,1,0,1,0,0|2,0,0]=4 380 B13R2.3 C1=CC=C([C@@H]2CNCCS2)C=C1 74886 [0,1,0,1,0,0|2,0,0]=4 381 B13R2.3 C1=CC=C([C@@H]2COCCN2)C=C1 A50773 [0,1,0,1,0,0|2,0,0]=4 382 B13R2.3 C1=CC=C([C@@H]2COCCN2)C=C1 A50774 [0,1,0,1,0,0|2,0,0]=4 383 B13R2.3 C1=CC=C([C@@H]2COCCN2)C=C1 AR1466 [0,1,0,1,0,0|2,0,0]=4 384 B13R2.3 C1=CC=C([C@H]2CCCNC2)C=C1 AC8554 [0,1,0,1,0,0|1,0,0]=3 385 B13R2.3 C1=CC=C([C@H]2CCCNC2)C=C1 F20832 [0,1,0,1,0,0|1,0,0]=3 386 B13R2.3 C1=CN=C(C2CCNCC2)C=C1 C77433 [0,1,0,1,0,0|0,0,0]=2 387 B13R2.3 C1=CN=C(C2CCNCC2)C=C1 C77434 [0,1,0,1,0,0|0,0,0]=2 388 B13R2.3 C1=CN=C(N2CCNCC2)C=N1 A10256 [0,1,0,1,0,0|2,0,0]=4 389 B13R2.3 C1=CN=C([C@@H]2CCCCN2)C=C1 N10817 [0,1,0,1,0,0|0,0,0]=2 390 B13R2.3 C1=CN=C([C@@H]2CCCCN2)C=C1 Y11624 [0,1,0,1,0,0|0,0,0]=2 391 B13R2.3 C1=CN=C([C@@H]2CNCCN2)C=C1 86651 [0,1,0,1,0,0|1,0,0]=3 392 B13R2.3 C1=CN=C([C@H]2CCCNC2)C=C1 98580 [0,1,0,1,0,0|0,0,0]=2 393 B13R2.3 C1=CN=C([C@H]2CCCNC2)C=C1 98581 [0,1,0,1,0,0|0,0,0]=2 394 B13R2.3 C1=CN=CC(C2CCNCC2)=C1 C14989 [0,1,0,1,0,0|2,0,0]=4 395 B13R2.3 C1=CN=CC([C@@H]2CCCCN2)=C1 86815 [0,1,0,1,0,0|2,0,0]=4 396 B13R2.3 C1=CN=CC([C@@H]2CCCCN2)=C1 N10432 [0,1,0,1,0,0|2,0,0]=4 397 B13R2.3 C1=CN=NC(N2CCNCC2)=C1 65280 [0,1,0,1,0,0|2,0,0]=4 398 B13R2.15 CN1CCC[C@H]1C2=CC=CN=C2 43552 [0,1,0,1,0,0|2,0,0]=4 399 B13R2.15 CN1CCC[C@H]1C2=NC=CN=C2 F13300 [0,1,0,1,0,0|1,0,0]=3 400 B13R2.15 O=C1CCC[C@@H]1C2=CC=CC=C2 E72778 [0,1,0,1,0,0|1,0,1]=4 401 B13R2.15 OC1CCCC1C2=NC=CC=C2 72502 [0,1,0,1,0,0|0,0,0]=2 402 B13R2.15 O[C@@H]1CCN[C@@H]1C2=CC=CC=C2 AT11756 [0,1,0,1,0,0|2,0,0]=4 403 B13R2.15 O[C@H]1CNC[C@@H]1C2=CC=CC=C2 AT21595 [0,1,0,1,0,0|2,0,0]=4 404 B13R2.64 C1=CC(O[C@H]2CCNC2)=NC=N1 F50278 [0,1,0,1,0,0|2,0,0]=4 405 B13R2.64 C1=CC(O[C@H]2CCNC2)=NC=N1 F50346 [0,1,0,1,0,0|2,0,0]=4 406 B13R2.64 C1=CC=C(O[C@H]2CCNC2)C=C1 A10132 [0,1,0,1,0,0|2,0,0]=4 407 B13R2.64 C1=CN=C(NC2CCCC2)C=N1 W15962 [0,1,0,1,0,0|1,0,0]=3 408 B13R2.64 C1=CN=C(O[C@H]2CCNC2)C=C1 C77811 [0,1,0,1,0,0|1,0,0]=3 409 B13R2.1613 CC[C@@H]1NCCC2=C1C=CC=C2 AT22655 [0,1,0,1,0,0|1,0,0]=3 410 B13R2.1613 NC[C@@H]1NCCC2=C1C=CC=C2 86157 [0,1,0,1,0,0|2,0,0]=4 411 B13R2.1613 NC[C@H]1CCCC2=C1C=CC=C2 AC7012 [0,1,0,1,0,0|1,0,0]=3 412 B13R2.1613 NC[C@H]1CCNC2=C1C=CC=C2 W15001 [0,1,0,1,0,0|2,0,0]=4 413 B13R2.2383 C1=CC=C(CNC2COC2)C=C1 CS1296 [0,1,0,1,0,0|2,0,0]=4 414 B13R2.5252 C=C1CCCCC2=C1C=CC=C2 O11475 [0,1,0,1,0,0|1,0,1]=4 415 B13R2.10 CC1CNC(C2=CC=CC=C2)C1 AT22579 [0,1,0,1,0,0|2,0,0]=4 416 B13R2.10 OC1COC(C2=CC=CC=C2)C1 AT10452 [0,1,0,1,0,0|2,0,0]=4 417 B13R2.33 O=C1CCC2=C(CC1)N=CC=C2 AT25963 [0,1,0,1,0,0|0,0,1]=3 418 B13R2.57 NC[C@H]1CCC2=C(C=CC=C2)O1 50369 [0,1,0,1,0,0|2,0,0]=4 419 B13R2.57 OC[C@H]1CCC2=C(C=CC=C2)N1 C75079 [0,1,0,1,0,0|2,0,0]=4 420 B13R2.57 OC[C@H]1COC2=C(C=CC=N2)O1 W10535 [0,1,0,1,0,0|2,0,0]=4 421 B13R2.13 CC1=CC=CC([C@@H]2CCCN2)=N1 N11020 [0,1,0,1,0,0|1,0,0]=3 422 B13R2.13 CC1=CC=CC([C@H]2CCNC2)=C1 N11129 [0,1,0,1,0,0|2,0,0]=4 423 B13R2.13 ClC1=CC([C@@H]2CCCN2)=NC=C1 N14942 [0,1,0,1,0,0|1,0,0]=3 424 B13R2.13 ClC1=CC([C@H]2CCNC2)=CC=C1 65735 [0,1,0,1,0,0|2,0,0]=4 425 B13R2.13 ClC1=CC([C@H]2CCNC2)=CC=C1 65737 [0,1,0,1,0,0|2,0,0]=4 426 B13R2.13 ClC1=CC([C@H]2CCNC2)=CC=C1 65767 [0,1,0,1,0,0|2,0,0]=4 427 B13R2.13 ClC1=CC([C@H]2CCNC2)=CC=C1 N10839 [0,1,0,1,0,0|2,0,0]=4 428 B13R2.13 ClC1=NC([C@@H]2CCCN2)=CC=C1 N10912 [0,1,0,1,0,0|1,0,0]=3 429 B13R2.13 FC1=CC([C@H]2CCNC2)=CC=C1 65739 [0,1,0,1,0,0|2,0,0]=4 430 B13R2.13 FC1=CC([C@H]2CCNC2)=CC=C1 65741 [0,1,0,1,0,0|2,0,0]=4 431 B13R2.13 FC1=CC([C@H]2CCNC2)=CC=C1 N11081 [0,1,0,1,0,0|2,0,0]=4 432 B13R2.13 NC1=CC=CC([C@@H]2CCCN2)=C1 N14348 [0,1,0,1,0,0|2,0,0]=4 433 B13R2.13 OC1=CC([C@@H]2CCCN2)=CC=C1 I11612 [0,1,0,1,0,0|2,0,0]=4 434 B13R2.3021 ClC1=NC=NC(OC2CCC2)=C1 92052 [0,1,0,1,0,0|2,0,0]=4 435 B13R2.3021 NC1=CC(OC2CCC2)=NC=N1 92053 [0,1,0,1,0,0|2,0,0]=4 436 B13R2.4818 CN1CCCC2=CC=CC(O)=C21 P11599 [0,1,0,1,0,0|2,0,0]=4 437 B13R2.5179 C[C@@H]1NCCC2=C1C=CC(F)=C2 AT19619 [0,1,0,1,0,0|2,0,0]=4 438 B13R2.5179 C[C@@H]1NCCC2=C1C=CC(F)=C2 AT19620 [0,1,0,1,0,0|2,0,0]=4 439 B13R2.5179 NC1=CC2=C(C=C1)[C@@H](O)CCC2 S11524 [0,1,0,1,0,0|2,0,0]=4 440 B13R2.5179 N[C@H]1CCCC2=C1C=CC(F)=C2 N12720 [0,1,0,1,0,0|2,0,0]=4 441 B13R2.5179 N[C@H]1CCCC2=C1C=CC(I)=C2 W15956 [0,1,0,1,0,0|2,0,0]=4 442 B13R2.5179 N[C@H]1CCCC2=C1C=CC(O)=C2 N13166 [0,1,0,1,0,0|2,0,0]=4 443 B13R2.5179 O[C@H]1CCCC2=C1C=CC(Cl)=C2 N14446 [0,1,0,1,0,0|2,0,0]=4 444 B13R2.5331 BrC1=NC(NCC2CC2)=CC=C1 D76476 [0,1,0,1,0,0|1,0,0]=3 445 B13R2.223 NC1(C2=CC=CN=C2)CCCC1 F30930 [0,1,0,1,0,0|2,0,0]=4 446 B13R2.223 NC1(C2=NC=CC=C2)CCCC1 F30929 [0,1,0,1,0,0|0,0,0]=2 447 B13R2.223 N[C@@]1(C2=CC=CC=C2)CCOC1 C91583 [0,1,0,1,0,0|2,0,0]=4 448 B13R2.223 O[C@@]1(C2=CC=CC=C2)CCNC1 C77915 [0,1,0,1,0,0|2,0,0]=4 449 B13R2.8137 N[C@H](C1=CC=CC=C1)C2CCC2 FD10505 [0,1,0,1,0,0|1,0,0]=3 450 B13R2.8137 N[C@H](C1=CC=CC=C1)C2COC2 98585 [0,1,0,1,0,0|2,0,0]=4 451 B13R2.8137 N[C@H](C1=CC=CC=C1)C2COC2 98586 [0,1,0,1,0,0|2,0,0]=4 452 B13R2.8137 O[C@H](C1=CC=CC=C1)C2CCC2 AT10653 [0,1,0,1,0,0|1,0,0]=3 453 B13R2.31 NC1CN(CC2=CC=CC=C2)C1 30361 [0,1,0,1,0,0|2,0,0]=4 454 B13R2.135 CN[C@@H]1C2=C(C=CC=C2)C[C@@H]1O F50027 [0,1,0,1,0,0|2,0,0]=4 455 B13R2.221 NC1(CC2=CC=CC=C2)CCC1 59756 [0,1,0,1,0,0|1,0,0]=3 456 B13R2.221 NC1(CC2=CC=CC=C2)CCC1 F14473 [0,1,0,1,0,0|1,0,0]=3 457 B13R2.221 OC1(CC2=CC=CC=C2)CNC1 P19290 [0,1,0,1,0,0|2,0,0]=4 458 B13R2.72 CC(C)[C@@H]1CNC2=C1C=CC=C2 S10855 [0,1,0,1,0,0|2,0,0]=4 459 B13R2.3122 CC1(C)CCNC2=C1C=CC=C2 86979 [0,1,0,1,0,0|2,0,0]=4 460 B13R2.3122 CC1(C)CCSC2=C1C=CC=C2 82057 [0,1,0,1,0,0|2,0,0]=4 461 B13R2.18 BrC1=C(N2CCCC2)C=CC=C1 AC7051 [0,1,0,1,0,0|2,0,0]=4 462 B13R2.18 CC1=C([C@H]2CCNC2)C=CC=C1 N10930 [0,1,0,1,0,0|2,0,0]=4 463 B13R2.18 ClC1=C(N2CCCC2)N=CC=C1 N11745 [0,1,0,1,0,0|1,0,0]=3 464 B13R2.18 ClC1=C([C@@H]2CCCN2)C=CC=C1 N12754 [0,1,0,1,0,0|2,0,0]=4 465 B13R2.18 ClC1=C([C@H]2CCNC2)C=CC=C1 83033 [0,1,0,1,0,0|2,0,0]=4 466 B13R2.18 FC1=C([C@H]2CCNC2)C=CC=C1 65751 [0,1,0,1,0,0|2,0,0]=4 467 B13R2.18 FC1=C([C@H]2CCNC2)C=CC=C1 65753 [0,1,0,1,0,0|2,0,0]=4 468 B13R2.18 FC1=C([C@H]2CCNC2)C=CC=C1 65780 [0,1,0,1,0,0|2,0,0]=4 469 B13R2.18 FC1=C([C@H]2CCNC2)C=CC=C1 N10834 [0,1,0,1,0,0|2,0,0]=4 470 B13R2.18 NC1=C(N2CCCC2)C=CC=C1 C78056 [0,1,0,1,0,0|2,0,0]=4 471 B13R2.18 NC1=C([C@H]2CCNC2)C=CC=C1 N14871 [0,1,0,1,0,0|2,0,0]=4 472 B13R2.18 OC1=C([C@@H]2CCCN2)C=CC=C1 I11883 [0,1,0,1,0,0|2,0,0]=4 473 B13R2.18 OC1=C([C@@H]2CCCN2)N=CC=C1 N14917 [0,1,0,1,0,0|1,0,0]=3 474 B13R2.342 N[C@H]1CCCC2=C(Br)C=CC=C21 F16889 [0,1,0,1,0,0|2,0,0]=4 475 B13R2.342 N[C@H]1CCCC2=C(Cl)C=CC=C21 I10729 [0,1,0,1,0,0|2,0,0]=4 476 B13R2.342 N[C@H]1CCCC2=C(O)C=CC=C21 N12814 [0,1,0,1,0,0|2,0,0]=4 477 B13R2.342 O[C@H]1CCCC2=C(Cl)C=CC=C21 N14445 [0,1,0,1,0,0|2,0,0]=4 478 B13R2.342 O[C@H]1CCCC2=C(F)C=CC=C21 E72763 [0,1,0,1,0,0|2,0,0]=4 479 B13R2.3587 ClC1=NC=CN=C1CNC2CC2 78958 [0,1,0,1,0,0|2,0,0]=4 480 B13R2.3587 IC1=C(OCC2CC2)N=CC=C1 76915 [0,1,0,1,0,0|1,0,0]=3 481 B13R3.1962 C1=CC2=C(C=C1)C3CCC2N3 C11347 [0,0,0,2,0,0|2,0,0]=4 482 B9R1.12 CNCCC1=CC=CS1 AT16732 [1,0,0,0,1,0|2,0,0]=4 483 B9R1.12 ICCCC1=CC=CS1 AC6959 [1,0,0,0,1,0|2,0,0]=4 484 B9R1.12 NCCCC1=NC=CN1 F10426 [1,0,0,0,1,0|2,0,0]=4