0 B10R1.17 BrCCSC1=CC=NC=C1 AT18153 [0,0,0,0,0,0|2,1,0]=3 1 B10R1.17 CCCCC1=CC=CN=N1 O10974 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.17 CNCCC1=CC=CN=C1 C73747 [0,0,0,0,0,0|4,0,0]=4 3 B10R1.17 CNCCC1=CC=NC=C1 AR1715 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.17 FCCNC1=CC=CC=C1 D77931 [0,0,0,0,0,0|2,0,0]=2 5 B10R1.17 NCCNC1=NC=CC=C1 O12009 [0,0,0,0,0,0|3,0,0]=3 6 B10R1.17 NCCNC1=NC=CC=N1 AT18241 [0,0,0,0,0,0|4,0,0]=4 7 B10R1.17 NCCOC1=NC=CC=N1 AT18221 [0,0,0,0,0,0|3,0,0]=3 8 B10R1.17 NC\C=C\C1=CC=CC=C1 A12523 [0,0,0,0,0,0|2,0,1]=3 9 B10R1.17 NNCCC1=CC=CC=C1 AC4670 [0,0,0,0,0,0|3,0,0]=3 10 B10R1.17 NOCCC1=CC=CC=C1 C10179 [0,0,0,0,0,0|3,0,0]=3 11 B10R1.17 O=CCCC1=NC=CC=C1 P20552 [0,0,0,0,0,0|2,0,2]=4 12 B10R1.17 O=CCOC1=CC=CC=C1 C15303 [0,0,0,0,0,0|0,0,2]=2 13 B10R1.17 OCC#CC1=NC=CC=N1 F13494 [0,0,0,0,0,0|3,0,1]=4 14 B10R1.17 OCCCC1=CCC=CC1 72320 [0,0,0,0,0,0|1,0,2]=3 15 B10R1.17 OCCCC1=CN=CC=C1 AC5531 [0,0,0,0,0,0|2,0,0]=2 16 B10R1.17 OCCNC1=NC=CC=N1 AT18240 [0,0,0,0,0,0|3,0,0]=3 17 B10R1.17 OCCOC1=NC=CC=C1 C90307 [0,0,0,0,0,0|1,0,0]=1 18 B10R1.17 OC\C=C\C1=CC=NC=C1 AC1120 [0,0,0,0,0,0|2,0,1]=3 19 B10R1.17 SCCCC1=CN=CC=C1 F18019 [0,0,0,0,0,0|2,1,0]=3 20 B10R1.17 SCCCC1=NC=CC=C1 F18728 [0,0,0,0,0,0|2,1,0]=3 21 B9R1.8 BrCCC1=CN=CC=C1 C77647 [1,0,0,0,0,0|2,0,0]=3 22 B9R1.8 C#C[I+]C1=CC=CC=C1 T71678 [1,0,0,0,0,0|1,0,2]=4 23 B9R1.8 CCCC1=CC=CN=C1 O11051 [1,0,0,0,0,0|2,0,0]=3 24 B9R1.8 CCC[N+]1=CC=CC=C1 T72121 [1,0,0,0,0,0|2,0,0]=3 25 B9R1.8 CCNC1=NC=CN=C1 C76036 [1,0,0,0,0,0|3,0,0]=4 26 B9R1.8 CNNC1=CC=CC=C1 C77159 [1,0,0,0,0,0|2,0,0]=3 27 B9R1.8 FCCC1=CC=CC=C1 75534 [1,0,0,0,0,0|1,0,0]=2 28 B9R1.8 IC#CC1=CC=CC=C1 N11813 [1,0,0,0,0,0|1,0,2]=4 29 B9R1.8 NCCC1=CC=CC=C1 T71816 [1,0,0,0,0,0|1,0,0]=2 30 B9R1.8 NCCC1=CC=CC=C1 T72591 [1,0,0,0,0,0|1,0,0]=2 31 B9R1.8 NCCC1=NC=CC=N1 83201 [1,0,0,0,0,0|3,0,0]=4 32 B9R1.8 NCCC1=NC=CC=N1 P10852 [1,0,0,0,0,0|3,0,0]=4 33 B9R1.8 NCCC1=NC=CN=C1 AT22557 [1,0,0,0,0,0|3,0,0]=4 34 B9R1.8 NCCC1=NC=NC=C1 P10950 [1,0,0,0,0,0|3,0,0]=4 35 B9R1.8 NNCC1=NC=CC=C1 P10521 [1,0,0,0,0,0|3,0,0]=4 36 B9R1.8 OCCC1=CC=NC=C1 T72404 [1,0,0,0,0,0|1,0,0]=2 37 B9R1.8 OCCC1=NN=CC=C1 D77083 [1,0,0,0,0,0|2,0,0]=3 38 B9R1.8 SCCC1=NC=CC=C1 F18309 [1,0,0,0,0,0|1,1,0]=3 39 B9R1.8 [C-]#[N+]CC1=CC=NC=C1 AC8779 [1,0,0,0,0,0|3,0,0]=4 40 B9R1.8 [C-]#[N+]CC1=CN=CC=C1 F16136 [1,0,0,0,0,0|3,0,0]=4 41 B11R1.1 C#CCNC1=CC=C(Cl)C=C1 D75666 [0,1,0,0,0,0|2,0,1]=4 42 B11R1.1 C#CCOC1=CC=C(I)C=C1 AT23376 [0,1,0,0,0,0|1,0,1]=3 43 B11R1.1 C=CCOC1=CC=C(Br)C=C1 71195 [0,1,0,0,0,0|1,0,1]=3 44 B11R1.1 CC1=CC=C(CCCN)C=C1 C78299 [0,1,0,0,0,0|2,0,0]=3 45 B11R1.1 CC1=CC=C(OCC#N)C=C1 AC7568 [0,1,0,0,0,0|1,0,1]=3 46 B11R1.1 CNCCC1=CC=C(Br)C=C1 C78422 [0,1,0,0,0,0|3,0,0]=4 47 B11R1.1 CNCCC1=CC=C(C)C=C1 C78074 [0,1,0,0,0,0|3,0,0]=4 48 B11R1.1 COCCC1=CC=C(Br)C=C1 28244 [0,1,0,0,0,0|3,0,0]=4 49 B11R1.1 COCCC1=CC=C(N)C=C1 F11764 [0,1,0,0,0,0|3,0,0]=4 50 B11R1.1 COCOC1=NC=C(Br)C=C1 F19737 [0,1,0,0,0,0|3,0,0]=4 51 B11R1.1 ClC1=CC=C(CCCBr)C=C1 S11935 [0,1,0,0,0,0|2,0,0]=3 52 B11R1.1 ClC1=CC=C(\C=C\CBr)C=C1 72674 [0,1,0,0,0,0|2,0,1]=4 53 B11R1.1 N#CCCC1=CC=C(O)C=C1 C15091 [0,1,0,0,0,0|2,0,1]=4 54 B11R1.1 NC1=CC=C(OCCCl)C=C1 72016 [0,1,0,0,0,0|1,0,0]=2 55 B11R1.1 NC1=CC=C(OCCO)C=C1 F16836 [0,1,0,0,0,0|0,0,0]=1 56 B11R1.1 NCCCC1=CC=C(N)C=C1 C78351 [0,1,0,0,0,0|2,0,0]=3 57 B11R1.1 NCCSC1=CC=C(Br)C=C1 C78402 [0,1,0,0,0,0|1,1,0]=3 58 B11R1.1 OCC#CC1=CC=C(Br)C=C1 A50682 [0,1,0,0,0,0|1,0,1]=3 59 B11R1.1 OCCNC1=CC=C(F)C=C1 I11182 [0,1,0,0,0,0|1,0,0]=2 60 B11R1.1 OCCOC1=NC=C(Br)C=C1 F19748 [0,1,0,0,0,0|1,0,0]=2 61 B11R1.1 OCCSC1=CC=C(Br)C=C1 AT20956 [0,1,0,0,0,0|0,1,0]=2 62 B11R1.1 OC\C=C\C1=CC=C(Br)C=C1 AT26502 [0,1,0,0,0,0|1,0,1]=3 63 B11R1.16 C#CC[C@H](O)C1=CC=CC=C1 W15219 [0,1,0,0,0,0|2,0,1]=4 64 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 N12265 [0,1,0,0,0,0|2,0,0]=3 65 B11R1.16 CN(CCBr)C1=CC=CC=C1 W15250 [0,1,0,0,0,0|2,0,0]=3 66 B11R1.16 CN(CCO)C1=CC=NC=C1 AT18109 [0,1,0,0,0,0|2,0,0]=3 67 B11R1.16 CNC[C@H](C)C1=CC=CC=C1 C11240 [0,1,0,0,0,0|3,0,0]=4 68 B11R1.16 CNC[C@H](O)C1=CC=CC=C1 C11214 [0,1,0,0,0,0|3,0,0]=4 69 B11R1.16 COC[C@H](N)C1=CC=CC=C1 AC6537 [0,1,0,0,0,0|3,0,0]=4 70 B11R1.16 NCC[C@H](N)C1=CC=CC=C1 N14729 [0,1,0,0,0,0|2,0,0]=3 71 B11R1.16 NCC[C@H](N)C1=CC=CC=C1 N14730 [0,1,0,0,0,0|2,0,0]=3 72 B11R1.16 OCC[C@H](O)C1=CC=CC=C1 C80043 [0,1,0,0,0,0|1,0,0]=2 73 B11R1.17 BrCCCC1=C(Br)C=CC=C1 C77748 [0,1,0,0,0,0|2,0,0]=3 74 B11R1.17 C#CCOC1=C(Br)C=CC=C1 AT23367 [0,1,0,0,0,0|1,0,1]=3 75 B11R1.17 C#CCOC1=C(Cl)C=CC=C1 AT23368 [0,1,0,0,0,0|1,0,1]=3 76 B11R1.17 C#CCOC1=C(I)C=CC=C1 AT23373 [0,1,0,0,0,0|1,0,1]=3 77 B11R1.17 CC1=CC=CN=C1CCCN W10139 [0,1,0,0,0,0|3,0,0]=4 78 B11R1.17 CCCOC1=C(N)C=CC=C1 AC7746 [0,1,0,0,0,0|1,0,0]=2 79 B11R1.17 CCNCC1=C(Cl)C=CC=C1 C16114 [0,1,0,0,0,0|3,0,0]=4 80 B11R1.17 CNCCC1=C(C)C=CC=C1 C78447 [0,1,0,0,0,0|3,0,0]=4 81 B11R1.17 CNCCC1=C(Cl)C=CC=C1 C78279 [0,1,0,0,0,0|3,0,0]=4 82 B11R1.17 ClC1=C(CCCBr)C=CC=C1 C78298 [0,1,0,0,0,0|2,0,0]=3 83 B11R1.17 N#CCOC1=C(Cl)C=CC=C1 AC7530 [0,1,0,0,0,0|1,0,1]=3 84 B11R1.17 NCCCC1=C(Cl)C=CC=C1 C78000 [0,1,0,0,0,0|2,0,0]=3 85 B11R1.17 NCCCC1=C(F)C=CC=C1 F20045 [0,1,0,0,0,0|2,0,0]=3 86 B11R1.17 NCCCN1C=CC=CC1=O AT19227 [0,1,0,0,0,0|3,0,0]=4 87 B11R1.17 NCCOC1=C(Cl)C=CC=C1 L10067 [0,1,0,0,0,0|1,0,0]=2 88 B11R1.17 O=C1C=CC=CN1CCCO AT19228 [0,1,0,0,0,0|2,0,0]=3 89 B11R1.17 OCC#CC1=C(Br)C=CC=C1 S11832 [0,1,0,0,0,0|1,0,1]=3 90 B11R1.17 OCC#CC1=C(Cl)C=CC=C1 A50678 [0,1,0,0,0,0|1,0,1]=3 91 B11R1.17 OCCCC1=C(O)C=CC=N1 85302 [0,1,0,0,0,0|2,0,0]=3 92 B11R1.24 BrCCCC1=CC=CC(Br)=C1 C77758 [0,1,0,0,0,0|2,0,0]=3 93 B11R1.24 BrCCOC1=CC=CC(Br)=C1 98063 [0,1,0,0,0,0|1,0,0]=2 94 B11R1.24 CC1=CC(CCCN)=NC=C1 W10140 [0,1,0,0,0,0|3,0,0]=4 95 B11R1.24 CC1=CC=CC(CCC=O)=C1 C10532 [0,1,0,0,0,0|1,0,2]=4 96 B11R1.24 CC1=CC=CC(OCCO)=N1 N10107 [0,1,0,0,0,0|1,0,0]=2 97 B11R1.24 CCCC[N+]1=CC(C)=CC=C1 C93515 [0,1,0,0,0,0|3,0,0]=4 98 B11R1.24 CCOCC1=CC=CC(Br)=C1 F17773 [0,1,0,0,0,0|3,0,0]=4 99 B11R1.24 CNCCC1=CC=CC(Br)=C1 C78466 [0,1,0,0,0,0|3,0,0]=4 100 B11R1.24 ClC1=CC=CC(CCCBr)=C1 C78574 [0,1,0,0,0,0|2,0,0]=3 101 B11R1.24 ClCCNC1=CC(Cl)=NC=C1 98045 [0,1,0,0,0,0|3,0,0]=4 102 B11R1.24 N#CCCC1=CC=CC(F)=C1 97618 [0,1,0,0,0,0|2,0,1]=4 103 B11R1.24 N#CCOC1=CC(O)=CC=C1 C77746 [0,1,0,0,0,0|1,0,1]=3 104 B11R1.24 NC1=CC(CCCO)=NC=C1 AC5942 [0,1,0,0,0,0|2,0,0]=3 105 B11R1.24 NC1=CC=CC(OCCO)=C1 C78268 [0,1,0,0,0,0|0,0,0]=1 106 B11R1.24 NCCCC1=CC=CC(F)=C1 97619 [0,1,0,0,0,0|2,0,0]=3 107 B11R1.24 NCCCC1=CC=CC(N)=C1 C78147 [0,1,0,0,0,0|2,0,0]=3 108 B11R1.24 NCCCC1=CC=CC(O)=C1 C78310 [0,1,0,0,0,0|2,0,0]=3 109 B11R1.24 O=CCCC1=CC(O)=CC=C1 F19734 [0,1,0,0,0,0|1,0,2]=4 110 B11R1.24 OCCNC1=CC(Cl)=NC=C1 98044 [0,1,0,0,0,0|2,0,0]=3 111 B11R1.24 OCCNC1=CN=CC(Cl)=N1 F15545 [0,1,0,0,0,0|3,0,0]=4 112 B11R1.24 OCCOC1=CC(Cl)=CN=C1 AT19859 [0,1,0,0,0,0|1,0,0]=2 113 B11R1.24 [C-]#[N+]CCC1=CC=CC(F)=C1 50335 [0,1,0,0,0,0|3,0,0]=4 114 B11R1.28 CCCCNC1=CC=NC=C1 F21501 [0,1,0,0,0,0|3,0,0]=4 115 B11R1.28 CCNCCC1=CC=CC=C1 AC5622 [0,1,0,0,0,0|2,0,0]=3 116 B11R1.28 N#CCCNC1=NC=CC=C1 N13320 [0,1,0,0,0,0|3,0,0]=4 117 B11R1.28 NCC\C=C\C1=CC=CC=C1 F15194 [0,1,0,0,0,0|2,0,0]=3 118 B11R1.28 NNCCOC1=CC=CC=C1 AC4849 [0,1,0,0,0,0|1,0,0]=2 119 B11R1.28 NOCCOC1=CC=CC=C1 AT21707 [0,1,0,0,0,0|0,0,0]=1 120 B11R1.28 OCCCCC1=CC=NC=C1 31475 [0,1,0,0,0,0|2,0,0]=3 121 B11R1.28 OCCSSC1=NC=CC=C1 AT21148 [0,1,0,0,0,0|1,1,0]=3 122 B11R1.40 CC[C@H](N)CC1=CC=CC=C1 74053 [0,1,0,0,0,0|2,0,0]=3 123 B11R1.40 C[C@H](C=O)CC1=CC=CC=C1 F16111 [0,1,0,0,0,0|1,0,2]=4 124 B11R1.40 Cl\C=C(\Cl)OC1=CC=CC=C1 W12901 [0,1,0,0,0,0|1,0,2]=4 125 B11R1.40 N#C[C@@H](F)SC1=CC=CC=C1 D90673 [0,1,0,0,0,0|1,1,1]=4 126 B11R1.40 NC[C@@H](N)CC1=CC=CC=C1 N14383 [0,1,0,0,0,0|2,0,0]=3 127 B11R1.40 NC[C@@H](N)CC1=CC=CC=C1 N14384 [0,1,0,0,0,0|2,0,0]=3 128 B11R1.40 NC[C@@H](N)CC1=CC=CC=C1 N14385 [0,1,0,0,0,0|2,0,0]=3 129 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 C78372 [0,1,0,0,0,0|1,0,0]=2 130 B11R1.40 O\N=C(/Cl)CC1=CC=CC=C1 AC6652 [0,1,0,0,0,0|2,0,1]=4 131 B11R1.91 CC(=O)COC1=NC=CC=C1 AC9007 [0,1,0,0,0,0|1,0,2]=4 132 B11R1.91 C[C@H](N)COC1=CC=CC=C1 N12753 [0,1,0,0,0,0|1,0,0]=2 133 B11R1.91 C[C@H](N)COC1=CC=CC=C1 N12763 [0,1,0,0,0,0|1,0,0]=2 134 B11R1.91 C[C@H](N)CSC1=CC=CC=C1 AT26670 [0,1,0,0,0,0|1,1,0]=3 135 B11R1.91 O=C(O)CSC1=NC=CC=C1 AT20604 [0,1,0,0,0,0|1,1,1]=4 136 B11R2.1 C[C@H]1CNC2=C1C=CC=C2 W18948 [0,0,0,1,0,0|2,0,0]=3 137 B11R2.1 N[C@H]1CCC2=C1C=CC=C2 41003 [0,0,0,1,0,0|2,0,0]=3 138 B11R2.1 N[C@H]1CCC2=CC=CN=C21 D81362 [0,0,0,1,0,0|3,0,0]=4 139 B11R2.1 N[C@H]1CCC2=NC=CC=C21 D79496 [0,0,0,1,0,0|3,0,0]=4 140 B11R2.1 N[C@H]1COC2=C1C=CC=C2 I11926 [0,0,0,1,0,0|1,0,0]=2 141 B11R2.1 O=C1COC2=C1C=CC=N2 O11821 [0,0,0,1,0,0|1,0,2]=4 142 B11R2.1 OC1=CNC2=C1C=CC=C2 F18139 [0,0,0,1,0,0|1,0,2]=4 143 B11R2.1 OC1=CSC2=C1C=CC=C2 C15915 [0,0,0,1,0,0|0,1,2]=4 144 B11R2.1 ON1N=CC2=C1C=CC=C2 E70293 [0,0,0,1,0,0|3,0,0]=4 145 B11R2.1 O[C@H]1COC2=C1C=CC=C2 AT19563 [0,0,0,1,0,0|0,0,0]=1 146 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 C14923 [0,0,0,1,0,0|2,0,0]=3 147 B11R2.20 C1=CC2=C(C=N1)NCCN2 78662 [0,0,0,1,0,0|3,0,0]=4 148 B11R2.20 C1=CC2=C(C=N1)NCCO2 AT21908 [0,0,0,1,0,0|2,0,0]=3 149 B11R2.239 C1=CC=C(C2CCC2)C=C1 F52090 [0,0,0,1,0,0|2,0,0]=3 150 B11R2.239 C1=CC=C([C@@H]2CCN2)C=C1 A50749 [0,0,0,1,0,0|2,0,0]=3 151 B11R2.988 NC[C@H]1CC2=C1C=CC=C2 AT20374 [0,0,0,1,0,0|2,0,0]=3 152 B11R2.988 OC[C@H]1CC2=C1C=CC=C2 67862 [0,0,0,1,0,0|1,0,0]=2 153 B9R1.12 ICCCC1=CC=CS1 AC6959 [0,0,0,0,1,0|3,0,0]=4 154 B9R1.12 OCCCC1=CON=C1 C14065 [0,0,0,0,1,0|3,0,0]=4 155 B9R1.12 OCCNC1=NC=CS1 AT14889 [0,0,0,0,1,0|3,0,0]=4 156 B8R1.2 NCC1=CC=CC=C1 T70846 [2,0,0,0,0,0|1,0,0]=3 157 B8R1.2 [2H]OC1=CC=CC=C1 D99313 [2,0,0,0,0,0|1,0,0]=3 158 B10R1.1 CC1=CC=C(CNN)C=C1 O10110 [1,1,0,0,0,0|2,0,0]=4 159 B10R1.1 CC1=CC=C(\C=N\O)C=C1 AC8737 [1,1,0,0,0,0|1,0,1]=4 160 B10R1.1 CCOC1=NC=C(O)C=C1 D75011 [1,1,0,0,0,0|1,0,0]=3 161 B10R1.1 COCC1=CC=C(S)C=C1 AT20980 [1,1,0,0,0,0|2,0,0]=4 162 B10R1.1 CSCC1=CC=C(Cl)C=C1 W18700 [1,1,0,0,0,0|2,0,0]=4 163 B10R1.1 NC1=CC=C(OCF)C=C1 68782 [1,1,0,0,0,0|1,0,0]=3 164 B10R1.1 NCCC1=CC=C(I)C=C1 C78427 [1,1,0,0,0,0|1,0,0]=3 165 B10R1.1 NCCC1=NC=C(Br)C=C1 P10593 [1,1,0,0,0,0|2,0,0]=4 166 B10R1.1 NNCC1=CC=C(Br)C=C1 AC3503 [1,1,0,0,0,0|2,0,0]=4 167 B10R1.1 NNCC1=CC=C(Cl)C=C1 37006 [1,1,0,0,0,0|2,0,0]=4 168 B10R1.1 O=C1N=CC(CCO)=CN1 AT18210 [1,1,0,0,0,0|2,0,0]=4 169 B10R1.1 OCCC1=CN=C(Br)C=C1 AC9473 [1,1,0,0,0,0|1,0,0]=3 170 B10R1.1 OCCC1=CN=C(F)C=C1 AC9525 [1,1,0,0,0,0|1,0,0]=3 171 B10R1.1 OCCC1=CN=C(S)N=C1 AT18279 [1,1,0,0,0,0|2,0,0]=4 172 B10R1.1 [BH3-]C1=CN=C(OCC)N=C1 AC8964 [1,1,0,0,0,0|2,0,0]=4 173 B10R1.4 CC1=C(CC=O)C=CC=C1 W16821 [1,1,0,0,0,0|0,0,2]=4 174 B10R1.4 CC1=C(CON)C=CC=C1 D77271 [1,1,0,0,0,0|2,0,0]=4 175 B10R1.4 CCCC1=C(C)C=CC=C1 T71577 [1,1,0,0,0,0|1,0,0]=3 176 B10R1.4 CCNC1=C(F)C=CC=C1 D87863 [1,1,0,0,0,0|1,0,0]=3 177 B10R1.4 CCNC1=CC=CN=C1O F30124 [1,1,0,0,0,0|2,0,0]=4 178 B10R1.4 CCNC1=NC=CC=C1N AC7989 [1,1,0,0,0,0|2,0,0]=4 179 B10R1.4 CCOC1=C(C)C=CN=C1 AC4346 [1,1,0,0,0,0|1,0,0]=3 180 B10R1.4 CCOC1=C(F)C=CC=N1 F53248 [1,1,0,0,0,0|1,0,0]=3 181 B10R1.4 CCOC1=C(N)N=CN=C1 O11423 [1,1,0,0,0,0|2,0,0]=4 182 B10R1.4 CCOC1=CC=CN=C1Cl W17868 [1,1,0,0,0,0|1,0,0]=3 183 B10R1.4 CCSC1=C(Br)C=CC=C1 AT20838 [1,1,0,0,0,0|0,1,0]=3 184 B10R1.4 CCSC1=C(O)C=CC=C1 AT20889 [1,1,0,0,0,0|0,1,0]=3 185 B10R1.4 CNCC1=C(N)C=CC=C1 F13330 [1,1,0,0,0,0|2,0,0]=4 186 B10R1.4 NC1=C(CCF)C=NC=C1 P14647 [1,1,0,0,0,0|2,0,0]=4 187 B10R1.4 NCCN1C=CC=CC1=O F15207 [1,1,0,0,0,0|2,0,0]=4 188 B10R1.4 NNCC1=C(Cl)C=CC=C1 W12211 [1,1,0,0,0,0|2,0,0]=4 189 B10R1.4 O=C1C=CC=CN1CCBr AT19229 [1,1,0,0,0,0|2,0,0]=4 190 B10R1.4 O=C1C=CN=CN1CCO AT13876 [1,1,0,0,0,0|2,0,0]=4 191 B10R1.4 O=CCC1=C(Cl)C=CC=C1 W16822 [1,1,0,0,0,0|0,0,2]=4 192 B10R1.10 CC1=CC=CC(CC=O)=C1 74805 [1,1,0,0,0,0|0,0,2]=4 193 B10R1.10 CC1=CC=CC(CCBr)=N1 AC6969 [1,1,0,0,0,0|2,0,0]=4 194 B10R1.10 CC1=CC=CC(CCN)=N1 P19093 [1,1,0,0,0,0|2,0,0]=4 195 B10R1.10 CCCC1=CC=CC(F)=C1 36946 [1,1,0,0,0,0|1,0,0]=3 196 B10R1.10 CCNC1=CC=CC(Cl)=C1 L10102 [1,1,0,0,0,0|1,0,0]=3 197 B10R1.10 CCNC1=CC=CC(O)=C1 F16135 [1,1,0,0,0,0|1,0,0]=3 198 B10R1.10 CCOC1=CC=CC(S)=C1 T73015 [1,1,0,0,0,0|0,0,0]=2 199 B10R1.10 CCOC1=NC(N)=NC=C1 AT18300 [1,1,0,0,0,0|2,0,0]=4 200 B10R1.10 CCOC1=NC=CC(Br)=N1 70402 [1,1,0,0,0,0|2,0,0]=4 201 B10R1.10 CCOC1=NC=CC(Cl)=N1 I11353 [1,1,0,0,0,0|2,0,0]=4 202 B10R1.10 CCSC1=CC(N)=CC=C1 AT20857 [1,1,0,0,0,0|0,1,0]=3 203 B10R1.10 COCC1=CC(N)=CC=C1 30379 [1,1,0,0,0,0|2,0,0]=4 204 B10R1.10 CSCC1=CC(N)=CC=C1 AT15211 [1,1,0,0,0,0|2,0,0]=4 205 B10R1.10 NC1=CC(CCO)=NC=N1 AC8190 [1,1,0,0,0,0|2,0,0]=4 206 B10R1.10 NCCC1=CC=CC(I)=C1 C78608 [1,1,0,0,0,0|1,0,0]=3 207 B10R1.10 NNCC1=CC=CC(Cl)=C1 P15270 [1,1,0,0,0,0|2,0,0]=4 208 B10R1.10 NNCC1=CC=CC(O)=C1 D87672 [1,1,0,0,0,0|2,0,0]=4 209 B10R1.10 O=CCC1=CC=CC(Cl)=C1 W16823 [1,1,0,0,0,0|0,0,2]=4 210 B10R1.15 C=C(CO)C1=CC=CC=C1 A11577 [1,1,0,0,0,0|0,0,1]=3 211 B10R1.15 CCC(=O)C1=CC=NC=C1 N12310 [1,1,0,0,0,0|2,0,0]=4 212 B10R1.15 CCN(C)C1=NC=CC=C1 T72928 [1,1,0,0,0,0|2,0,0]=4 213 B10R1.15 CC[C@H](N)C1=CC=CC=C1 N12648 [1,1,0,0,0,0|1,0,0]=3 214 B10R1.15 CC[C@H](N)C1=NC=CC=C1 N10611 [1,1,0,0,0,0|2,0,0]=4 215 B10R1.15 CN[C@@H](C)C1=CC=CC=C1 L10186 [1,1,0,0,0,0|2,0,0]=4 216 B10R1.15 COC(=N)C1=CC=CC=C1 W12775 [1,1,0,0,0,0|2,0,0]=4 217 B10R1.15 C[C@@H](C=O)C1=CC=CC=C1 AC1146 [1,1,0,0,0,0|0,0,2]=4 218 B10R1.15 C[C@@H](C=O)C1=CC=CC=C1 AC1167 [1,1,0,0,0,0|0,0,2]=4 219 B10R1.15 C[C@H](NO)C1=CC=CC=C1 P10550 [1,1,0,0,0,0|1,0,0]=3 220 B10R1.15 C[C@H](NO)C1=CC=CC=C1 P10551 [1,1,0,0,0,0|1,0,0]=3 221 B10R1.15 C[C@H](ON)C1=CC=CC=C1 AT14528 [1,1,0,0,0,0|2,0,0]=4 222 B10R1.15 C[C@H](ON)C1=CC=CC=C1 AT14530 [1,1,0,0,0,0|2,0,0]=4 223 B10R1.15 NC[C@H](O)C1=CC=NC=C1 C78562 [1,1,0,0,0,0|2,0,0]=4 224 B10R1.15 NC[C@H](O)C1=CN=CC=C1 33361 [1,1,0,0,0,0|2,0,0]=4 225 B10R1.15 N[C@@H](CO)C1=CC=NC=C1 Y11546 [1,1,0,0,0,0|1,0,0]=3 226 B10R1.15 N[C@@H](CO)C1=CC=NC=C1 Y12429 [1,1,0,0,0,0|1,0,0]=3 227 B10R1.15 N[C@@H](CO)C1=CN=CC=C1 Y12120 [1,1,0,0,0,0|1,0,0]=3 228 B10R1.15 N[C@@H](CO)C1=NC=CC=C1 Y12118 [1,1,0,0,0,0|1,0,0]=3 229 B10R1.15 N[C@@H](CO)C1=NC=CC=C1 Y12119 [1,1,0,0,0,0|1,0,0]=3 230 B10R1.15 N[C@@H](CO)C1=NC=CC=C1 Y12430 [1,1,0,0,0,0|1,0,0]=3 231 B10R1.15 N\C(=N/O)C1=CC=CC=C1 L10027 [1,1,0,0,0,0|1,0,1]=4 232 B10R1.15 O=C(CO)C1=CC=NC=C1 AC5781 [1,1,0,0,0,0|1,0,1]=4 233 B10R1.15 O=C(CO)C1=CN=CC=C1 AC2803 [1,1,0,0,0,0|1,0,1]=4 234 B10R1.15 O[C@@H](CCl)C1=CN=CC=C1 Y10944 [1,1,0,0,0,0|2,0,0]=4 235 B10R1.18 CC(=O)[15NH]C1=CC=CC=C1 F21470 [1,1,0,0,0,0|1,0,1]=4 236 B10R1.18 CC(C)CC1=CC=NC=C1 AC2809 [1,1,0,0,0,0|2,0,0]=4 237 B10R1.18 C[C@H](N)CC1=CC=NC=C1 F11581 [1,1,0,0,0,0|2,0,0]=4 238 B10R1.18 C[C@H](N)CC1=NC=CC=C1 F13183 [1,1,0,0,0,0|2,0,0]=4 239 B10R1.18 C[C@H](O)CC1=CC=CC=C1 T71821 [1,1,0,0,0,0|0,0,0]=2 240 B10R1.18 C[C@H](O)CC1=CC=CC=C1 T71861 [1,1,0,0,0,0|0,0,0]=2 241 B10R1.18 N=C(N)CC1=CC=CC=C1 C15976 [1,1,0,0,0,0|1,0,1]=4 242 B10R1.18 OB(O)CC1=CC=CC=C1 32975 [1,1,0,0,0,0|1,0,0]=3 243 B10R1.11 N[C@@H](CCO)C1=CC=CO1 N13126 [0,1,0,0,1,0|2,0,0]=4 244 B10R1.11 N[C@@H](CCO)C1=CC=CO1 N16710 [0,1,0,0,1,0|2,0,0]=4 245 B10R1.11 N[C@@H](CCO)C1=CC=CO1 N16711 [0,1,0,0,1,0|2,0,0]=4 246 B10R1.11 N[C@@H](CCO)C1=CC=CS1 N12967 [0,1,0,0,1,0|2,0,0]=4 247 B10R1.21 OCCNCC1=CC=CO1 F16080 [0,1,0,0,1,0|2,0,0]=4 248 B10R1.66 O=C(O)COC1=CSC=C1 AT16734 [0,1,0,0,1,0|1,0,1]=4 249 B12R1.1 BrCCCOC1=CC=C(Br)C=C1 88334 [0,2,0,0,0,0|1,0,0]=3 250 B12R1.1 BrCCOCC1=CC=C(Br)C=C1 N11537 [0,2,0,0,0,0|1,0,0]=3 251 B12R1.1 CC1=CC=C(OCCCBr)C=C1 F50438 [0,2,0,0,0,0|1,0,0]=3 252 B12R1.1 CCCCOC1=NC=C(Br)C=C1 F19758 [0,2,0,0,0,0|2,0,0]=4 253 B12R1.1 CCCNCC1=CC=C(Br)C=C1 C77919 [0,2,0,0,0,0|2,0,0]=4 254 B12R1.1 CCCNCC1=CC=C(C)C=C1 C78190 [0,2,0,0,0,0|2,0,0]=4 255 B12R1.1 CCCNCC1=CC=C(Cl)C=C1 C78300 [0,2,0,0,0,0|2,0,0]=4 256 B12R1.1 CCCNCC1=CC=C(F)C=C1 C78430 [0,2,0,0,0,0|2,0,0]=4 257 B12R1.1 CNCCCC1=CC=C(Br)C=C1 C78538 [0,2,0,0,0,0|2,0,0]=4 258 B12R1.1 CNCCCC1=CC=C(F)C=C1 C78234 [0,2,0,0,0,0|2,0,0]=4 259 B12R1.1 OCCOCC1=CC=C(Br)C=C1 N11527 [0,2,0,0,0,0|0,0,0]=2 260 B12R1.16 CCC[C@H](N)C1=CC=C(F)C=C1 F21118 [0,2,0,0,0,0|2,0,0]=4 261 B12R1.16 CN(CCO)C1=CC=C(N)C=C1 32810 [0,2,0,0,0,0|1,0,0]=3 262 B12R1.16 CN(CCO)C1=CN=C(N)C=C1 CS1434 [0,2,0,0,0,0|2,0,0]=4 263 B12R1.16 NC1=CC=C([C@@H](N)CCO)C=C1 51805 [0,2,0,0,0,0|1,0,0]=3 264 B12R1.16 NCC[C@H](O)C1=CC=C(Cl)C=C1 74612 [0,2,0,0,0,0|2,0,0]=4 265 B12R1.16 N[C@@H](CCO)C1=CC=C(Cl)C=C1 58177 [0,2,0,0,0,0|1,0,0]=3 266 B12R1.16 N[C@@H](CCO)C1=CC=C(F)C=C1 60079 [0,2,0,0,0,0|1,0,0]=3 267 B12R1.16 OCC[C@H](O)C1=CC=C(Br)C=C1 AT23932 [0,2,0,0,0,0|1,0,0]=3 268 B12R1.21 CC1=CC=C(OC[C@H](C)N)C=C1 C78123 [0,2,0,0,0,0|1,0,0]=3 269 B12R1.21 C[C@H](N)CCC1=CC=C(Br)C=C1 84991 [0,2,0,0,0,0|2,0,0]=4 270 B12R1.21 C[C@H](N)CCC1=CC=C(O)C=C1 N14377 [0,2,0,0,0,0|2,0,0]=4 271 B12R1.21 C[C@H](N)COC1=CC=C(Br)C=C1 C78409 [0,2,0,0,0,0|1,0,0]=3 272 B12R1.21 C[C@H](N)COC1=CC=C(F)C=C1 C77796 [0,2,0,0,0,0|1,0,0]=3 273 B12R1.21 NC(=O)COC1=CC=C(Br)C=C1 88302 [0,2,0,0,0,0|0,0,2]=4 274 B12R1.21 O=C(O)CSC1=CC=C(O)C=C1 AT20930 [0,2,0,0,0,0|0,1,1]=4 275 B12R1.49 CC1=CC=C(C[C@H](N)CO)C=C1 C78159 [0,2,0,0,0,0|1,0,0]=3 276 B12R1.49 CC1=CC=C(C[C@H](N)CO)C=C1 C78527 [0,2,0,0,0,0|1,0,0]=3 277 B12R1.49 CC[C@H](N)CC1=CC=C(C)C=C1 N12825 [0,2,0,0,0,0|2,0,0]=4 278 B12R1.49 CC[C@H](N)CC1=CC=C(Cl)C=C1 N14547 [0,2,0,0,0,0|2,0,0]=4 279 B12R1.49 CC[C@H](N)CC1=CC=C(F)C=C1 N14543 [0,2,0,0,0,0|2,0,0]=4 280 B12R1.49 CC[C@H](N)CC1=CC=C(I)C=C1 85182 [0,2,0,0,0,0|2,0,0]=4 281 B12R1.49 C[C@@H](CN)OC1=CC=C(Cl)C=C1 C77969 [0,2,0,0,0,0|1,0,0]=3 282 B12R1.49 C\C(=C/C1=CC=C(F)C=C1)CO F53074 [0,2,0,0,0,0|1,0,1]=4 283 B12R1.49 NC1=CC=C(C[C@H](N)CO)C=C1 Y11240 [0,2,0,0,0,0|1,0,0]=3 284 B12R1.49 N[C@H](CO)CC1=CC=C(Br)C=C1 C78517 [0,2,0,0,0,0|1,0,0]=3 285 B12R1.49 N[C@H](CO)CC1=CC=C(F)C=C1 AT10694 [0,2,0,0,0,0|1,0,0]=3 286 B12R1.49 N[C@H](CO)CC1=CC=C(F)C=C1 C78160 [0,2,0,0,0,0|1,0,0]=3 287 B12R1.49 N[C@H](CO)CC1=CC=C(I)C=C1 85183 [0,2,0,0,0,0|1,0,0]=3 288 B12R1.49 N[C@H](CO)CC1=CC=C(O)C=C1 C78266 [0,2,0,0,0,0|1,0,0]=3 289 B12R1.69 BrCCOC1=C(Br)C=C(Br)C=C1 CS2091 [0,2,0,0,0,0|1,0,0]=3 290 B12R1.69 CC1=C(OCC=O)C=CC(Cl)=C1 H11069 [0,2,0,0,0,0|0,0,2]=4 291 B12R1.69 CC1=CC(Br)=NC=C1OCCF 96318 [0,2,0,0,0,0|2,0,0]=4 292 B12R1.69 FC1=CC(F)=C(CCCBr)C=C1 C77740 [0,2,0,0,0,0|2,0,0]=4 293 B12R1.69 NC1=C(NCCO)C=CC(Br)=C1 N10335 [0,2,0,0,0,0|1,0,0]=3 294 B12R1.69 NC1=CC(N)=C(OCCO)C=C1 F20765 [0,2,0,0,0,0|0,0,0]=2 295 B12R1.69 NCCCC1=C(Cl)C=C(Cl)C=C1 F20099 [0,2,0,0,0,0|2,0,0]=4 296 B12R1.69 NCCCC1=C(F)C=C(F)C=C1 C78172 [0,2,0,0,0,0|2,0,0]=4 297 B12R1.69 OCCCC1=C(F)C=C(F)C=C1 C78631 [0,2,0,0,0,0|1,0,0]=3 298 B12R1.71 C#CCOC1=CC=C(CO)C=C1 C15641 [0,2,0,0,0,0|1,0,1]=4 299 B12R1.71 C=CCOC1=CC=C(OC)C=C1 W18721 [0,2,0,0,0,0|1,0,1]=4 300 B12R1.71 CCC1=CC=C(CCCO)C=C1 C77990 [0,2,0,0,0,0|1,0,0]=3 301 B12R1.71 COC1=CC=C(CCCI)C=C1 C77768 [0,2,0,0,0,0|2,0,0]=4 302 B12R1.71 COC1=CC=C(NCCN)C=C1 AC5715 [0,2,0,0,0,0|2,0,0]=4 303 B12R1.71 CSC1=CC=C(CCCN)C=C1 N13315 [0,2,0,0,0,0|2,0,0]=4 304 B12R1.71 CSC1=CC=C(OCC#N)C=C1 AC9751 [0,2,0,0,0,0|1,0,1]=4 305 B12R1.385 CC1=C(C)C=C(CCCN)C=C1 C77896 [0,2,0,0,0,0|2,0,0]=4 306 B12R1.385 CCCCC1=CC(N)=C(N)C=C1 F18184 [0,2,0,0,0,0|2,0,0]=4 307 B12R1.385 FC1=C(F)C=C(CCCBr)C=C1 C77742 [0,2,0,0,0,0|2,0,0]=4 308 B12R1.385 NCCCC1=CC(Cl)=C(Cl)C=C1 C78454 [0,2,0,0,0,0|2,0,0]=4 309 B12R1.385 NCCCC1=CC(F)=C(F)C=C1 C78171 [0,2,0,0,0,0|2,0,0]=4 310 B12R1.385 OCCCC1=CC(F)=C(F)C=C1 C78127 [0,2,0,0,0,0|1,0,0]=3 311 B12R1.17 CCCC(=O)C1=CC(C)=CC=C1 N13969 [0,2,0,0,0,0|2,0,0]=4 312 B12R1.17 CCCC(=O)C1=CC=CC(Cl)=C1 N13955 [0,2,0,0,0,0|2,0,0]=4 313 B12R1.17 CCCC(=O)C1=CC=CC(F)=C1 N13952 [0,2,0,0,0,0|2,0,0]=4 314 B12R1.17 CN(CCBr)C1=CC(F)=CC=C1 72470 [0,2,0,0,0,0|2,0,0]=4 315 B12R1.17 N[C@@H](CCO)C1=CC(Cl)=NC=C1 N11360 [0,2,0,0,0,0|2,0,0]=4 316 B12R1.17 N[C@@H](CCO)C1=CC=CC(Cl)=C1 57810 [0,2,0,0,0,0|1,0,0]=3 317 B12R1.17 N[C@@H](CCO)C1=CC=CC(O)=C1 62481 [0,2,0,0,0,0|1,0,0]=3 318 B12R1.30 CCOC[C@H](N)C1=CC=CC=C1 D73857 [0,2,0,0,0,0|2,0,0]=4 319 B12R1.30 C[C@H](NCCO)C1=CC=CC=C1 N12299 [0,2,0,0,0,0|1,0,0]=3 320 B12R1.30 C[C@H](NCCO)C1=CC=CC=C1 N12300 [0,2,0,0,0,0|1,0,0]=3 321 B12R1.30 O=C(NCCO)C1=NC=CC=C1 C73151 [0,2,0,0,0,0|2,0,0]=4 322 B12R1.30 O=C(OCCO)C1=CC=CC=C1 E72195 [0,2,0,0,0,0|0,0,0]=2 323 B12R1.30 O=C(SCCS)C1=CC=CC=C1 D76612 [0,2,0,0,0,0|0,2,0]=4 324 B12R1.34 CC[C@H](C)C(=O)C1=CC=CC=C1 N13974 [0,2,0,0,0,0|2,0,0]=4 325 B12R1.34 N[C@H](CO)[C@H](O)C1=CC=CC=C1 23172 [0,2,0,0,0,0|1,0,0]=3 326 B12R1.34 N[C@H](CO)[C@H](O)C1=CC=CC=C1 AT23147 [0,2,0,0,0,0|1,0,0]=3 327 B12R1.39 NCCS(=O)(=O)C1=CC=CC=C1 AC6576 [0,2,0,0,0,0|1,1,0]=4 328 B12R1.308 CCCC(=O)C1=C(Br)C=CC=C1 N13959 [0,2,0,0,0,0|2,0,0]=4 329 B12R1.308 CCCC(=O)C1=C(C)C=CC=C1 N13966 [0,2,0,0,0,0|2,0,0]=4 330 B12R1.308 CCCC(=O)C1=C(Cl)C=CC=C1 N12776 [0,2,0,0,0,0|2,0,0]=4 331 B12R1.308 CCCC(=O)C1=C(F)C=CC=C1 N13948 [0,2,0,0,0,0|2,0,0]=4 332 B12R1.308 N[C@@H](CCO)C1=C(Br)C=CC=C1 N13027 [0,2,0,0,0,0|1,0,0]=3 333 B12R1.308 N[C@@H](CCO)C1=C(Cl)C=CC=C1 58181 [0,2,0,0,0,0|1,0,0]=3 334 B12R1.308 N[C@@H](CCO)C1=C(F)C=CC=C1 N10902 [0,2,0,0,0,0|1,0,0]=3 335 B12R1.25 CCCOC1=C(C)C(N)=CC=C1 F17950 [0,2,0,0,0,0|1,0,0]=3 336 B12R1.121 COC1=C(CCCBr)C=CC=C1 C78175 [0,2,0,0,0,0|2,0,0]=4 337 B12R1.125 NC1=C(CCC(=O)O)C=CC=C1 F52868 [0,2,0,0,0,0|1,0,1]=4 338 B12R1.125 O=C(O)CNC1=C(Br)C=CC=C1 CL8802 [0,2,0,0,0,0|1,0,1]=4 339 B12R1.125 O=C(O)CNC1=C(F)C=CC=C1 61030 [0,2,0,0,0,0|1,0,1]=4 340 B12R1.125 O=C(O)CSC1=C(Br)C=CC=C1 AT20945 [0,2,0,0,0,0|0,1,1]=4 341 B12R1.125 O=C(O)CSC1=C(O)C=CC=C1 AT20931 [0,2,0,0,0,0|0,1,1]=4 342 B12R1.267 BrCCCCC1=C(Br)C=CC=C1 AT22148 [0,2,0,0,0,0|2,0,0]=4 343 B12R1.267 C=CCCOC1=C(Br)C=CC=C1 C11642 [0,2,0,0,0,0|1,0,0]=3 344 B12R1.267 C=CCCOC1=CC=CN=C1Br D77251 [0,2,0,0,0,0|2,0,0]=4 345 B12R1.267 C=CCOCC1=C(N)C=CC=C1 I11747 [0,2,0,0,0,0|1,0,1]=4 346 B12R1.267 CCCNCC1=C(Br)C=CC=C1 C78484 [0,2,0,0,0,0|2,0,0]=4 347 B12R1.267 CCCNCC1=C(C)C=CC=C1 C78482 [0,2,0,0,0,0|2,0,0]=4 348 B12R1.267 CCCNCC1=C(Cl)C=CC=C1 C78483 [0,2,0,0,0,0|2,0,0]=4 349 B12R1.267 CCCNCC1=C(F)C=CC=C1 C78370 [0,2,0,0,0,0|2,0,0]=4 350 B12R1.267 CCNCCC1=C(F)C=CC=C1 AC6701 [0,2,0,0,0,0|2,0,0]=4 351 B12R1.267 COCOCC1=C(Br)C=CC=C1 C11531 [0,2,0,0,0,0|2,0,0]=4 352 B12R1.267 ClCCCOC1=C(Br)C=CC=C1 N10153 [0,2,0,0,0,0|1,0,0]=3 353 B12R1.267 NCCCOC1=C(F)C=CC=C1 AC7557 [0,2,0,0,0,0|1,0,0]=3 354 B12R1.267 OCCNCC1=C(F)C=CC=C1 AT15322 [0,2,0,0,0,0|1,0,0]=3 355 B12R1.371 CC1=C(C[C@H](N)CO)C=CC=C1 C78603 [0,2,0,0,0,0|1,0,0]=3 356 B12R1.371 CC1=C(C[C@H](N)CO)C=CC=C1 N11149 [0,2,0,0,0,0|1,0,0]=3 357 B12R1.371 CC1=C(O[C@@H](C)CN)C=CC=C1 F50684 [0,2,0,0,0,0|1,0,0]=3 358 B12R1.371 CC[C@H](N)CC1=C(Br)C=CC=C1 N14510 [0,2,0,0,0,0|2,0,0]=4 359 B12R1.371 CC[C@H](N)CC1=C(C)C=CC=C1 N14512 [0,2,0,0,0,0|2,0,0]=4 360 B12R1.371 CC[C@H](N)CC1=C(Cl)C=CC=C1 N14502 [0,2,0,0,0,0|2,0,0]=4 361 B12R1.371 CC[C@H](N)CC1=C(F)C=CC=C1 N14507 [0,2,0,0,0,0|2,0,0]=4 362 B12R1.371 NC[C@@H](N)CC1=C(F)C=CC=C1 N14640 [0,2,0,0,0,0|2,0,0]=4 363 B12R1.371 N[C@H](CO)CC1=C(Br)C=CC=C1 C77829 [0,2,0,0,0,0|1,0,0]=3 364 B12R1.371 N[C@H](CO)CC1=C(Cl)C=CC=C1 N11299 [0,2,0,0,0,0|1,0,0]=3 365 B12R1.371 N[C@H](CO)CC1=C(Cl)C=CC=C1 N11304 [0,2,0,0,0,0|1,0,0]=3 366 B12R1.371 N[C@H](CO)CC1=C(F)C=CC=C1 N11418 [0,2,0,0,0,0|1,0,0]=3 367 B12R1.374 ClC1=CC(OCCBr)=C(Br)C=C1 AT20088 [0,2,0,0,0,0|1,0,0]=3 368 B12R1.374 FC1=CC(CCCBr)=C(F)C=C1 C77741 [0,2,0,0,0,0|2,0,0]=4 369 B12R1.374 OCCCC1=C(F)C=CC(F)=C1 C78523 [0,2,0,0,0,0|1,0,0]=3 370 B12R1.28 BrCCCCC1=CC=CC(Br)=C1 AT22149 [0,2,0,0,0,0|2,0,0]=4 371 B12R1.28 BrCCCOC1=CC=CC(Br)=C1 97812 [0,2,0,0,0,0|1,0,0]=3 372 B12R1.28 CC1=CC=CC(OCCCO)=N1 N10106 [0,2,0,0,0,0|1,0,0]=3 373 B12R1.28 CCCNCC1=CC(C)=CC=C1 C77940 [0,2,0,0,0,0|2,0,0]=4 374 B12R1.28 CCCNCC1=CC=CC(Br)=C1 C78566 [0,2,0,0,0,0|2,0,0]=4 375 B12R1.28 CCCNCC1=CC=CC(Cl)=C1 C78191 [0,2,0,0,0,0|2,0,0]=4 376 B12R1.28 CCCNCC1=CC=CC(F)=C1 C78563 [0,2,0,0,0,0|2,0,0]=4 377 B12R1.28 COCCNC1=NC=CC(N)=C1 F19660 [0,2,0,0,0,0|2,0,0]=4 378 B12R1.28 COCCOC1=CC(Cl)=NN=C1 C72008 [0,2,0,0,0,0|2,0,0]=4 379 B12R1.28 ClC1=CC=CC(OCCCBr)=C1 97802 [0,2,0,0,0,0|1,0,0]=3 380 B12R1.28 N#CCCOC1=CC=CC(Br)=C1 F13495 [0,2,0,0,0,0|1,0,0]=3 381 B12R1.28 NC1=CC=CC(OCCCO)=C1 C77805 [0,2,0,0,0,0|0,0,0]=2 382 B12R1.28 OCCCCC1=CC=CC(Br)=C1 AT22147 [0,2,0,0,0,0|1,0,0]=3 383 B12R1.50 CC1=CC=CC(C[C@H](N)CO)=C1 C78461 [0,2,0,0,0,0|1,0,0]=3 384 B12R1.50 CC[C@H](N)CC1=CC(C)=CC=C1 N14536 [0,2,0,0,0,0|2,0,0]=4 385 B12R1.50 CC[C@H](N)CC1=CC=CC(Br)=C1 N14532 [0,2,0,0,0,0|2,0,0]=4 386 B12R1.50 CC[C@H](N)CC1=CC=CC(Cl)=C1 N14527 [0,2,0,0,0,0|2,0,0]=4 387 B12R1.50 CC[C@H](N)CC1=CC=CC(F)=C1 N14524 [0,2,0,0,0,0|2,0,0]=4 388 B12R1.50 N[C@H](CO)CC1=CC=CC(Br)=C1 C78100 [0,2,0,0,0,0|1,0,0]=3 389 B12R1.50 N[C@H](CO)CC1=CC=CC(Br)=C1 C78242 [0,2,0,0,0,0|1,0,0]=3 390 B12R1.50 N[C@H](CO)CC1=CC=CC(Cl)=C1 Y11238 [0,2,0,0,0,0|1,0,0]=3 391 B12R1.50 N[C@H](CO)CC1=CC=CC(F)=C1 N11307 [0,2,0,0,0,0|1,0,0]=3 392 B12R1.100 C#CCOC1=CC(F)=CC(F)=C1 C78232 [0,2,0,0,0,0|1,0,1]=4 393 B12R1.100 CC1=CC(C)=CC(CCCN)=C1 C77897 [0,2,0,0,0,0|2,0,0]=4 394 B12R1.100 COCOC1=CC(F)=CC(F)=C1 AC6738 [0,2,0,0,0,0|2,0,0]=4 395 B12R1.100 FC1=CC(F)=CC(CCCBr)=C1 C78521 [0,2,0,0,0,0|2,0,0]=4 396 B12R1.100 NCCCC1=CC(F)=CC(F)=C1 C77734 [0,2,0,0,0,0|2,0,0]=4 397 B12R1.100 OCCCC1=CC(F)=CC(F)=C1 C77733 [0,2,0,0,0,0|1,0,0]=3 398 B12R1.100 OCCOC1=CC(Br)=CC(F)=C1 N11578 [0,2,0,0,0,0|0,0,0]=2 399 B12R1.226 CC1=CC=CC(OC[C@H](C)N)=C1 F50497 [0,2,0,0,0,0|1,0,0]=3 400 B12R1.226 CC1=CC=CC(SCC(=O)O)=C1 AT20929 [0,2,0,0,0,0|0,1,1]=4 401 B12R1.382 COC1=CC(C#CCO)=CC=C1 A50685 [0,2,0,0,0,0|1,0,1]=4 402 B12R1.8 CNCCCOC1=CC=CC=C1 C77854 [0,2,0,0,0,0|1,0,0]=3 403 B12R1.8 NNCCCOC1=CC=CC=C1 AC4850 [0,2,0,0,0,0|1,0,0]=3 404 B12R1.27 C[C@@H](C=O)OCC1=CC=CC=C1 C10570 [0,2,0,0,0,0|0,0,2]=4 405 B12R1.27 C[C@@H](CO)OCC1=CC=CC=C1 AT22580 [0,2,0,0,0,0|0,0,0]=2 406 B12R1.32 CON[C@@H](C)CC1=CC=CC=C1 D79919 [0,2,0,0,0,0|2,0,0]=4 407 B12R1.32 NCCC(=O)NC1=CC=CC=C1 F21144 [0,2,0,0,0,0|2,0,0]=4 408 B12R1.252 C[C@H](Br)COCC1=CC=CC=C1 C92726 [0,2,0,0,0,0|1,0,0]=3 409 B12R1.252 C[C@H](Br)COCC1=CC=CC=C1 C92727 [0,2,0,0,0,0|1,0,0]=3 410 B12R1.252 C[C@H](O)CCCC1=CN=CC=C1 F53169 [0,2,0,0,0,0|2,0,0]=4 411 B12R1.252 C[C@H](O)CNCC1=CC=CC=C1 AC4615 [0,2,0,0,0,0|1,0,0]=3 412 B12R1.252 C[C@H](O)CNCC1=CC=CC=C1 AT23036 [0,2,0,0,0,0|1,0,0]=3 413 B12R1.252 C[C@H](O)CNCC1=CC=CC=C1 D71911 [0,2,0,0,0,0|1,0,0]=3 414 B12R1.252 O=C(O)CC#CC1=CC=CC=C1 AT25408 [0,2,0,0,0,0|1,0,1]=4 415 B12R1.252 O=C(O)CCCC1=CN=CC=C1 AT25838 [0,2,0,0,0,0|2,0,0]=4 416 B12R1.252 O=C(O)CCNC1=CC=NC=C1 W15226 [0,2,0,0,0,0|2,0,0]=4 417 B12R1.252 O=C(O)CCNC1=NC=CC=C1 65602 [0,2,0,0,0,0|2,0,0]=4 418 B12R1.43 C[C@H](N)C(=O)OC1=CC=CC=C1 F52322 [0,2,0,0,0,0|1,0,1]=4 419 B12R1.43 C[C@H](O)C(=O)NC1=CC=CC=C1 F15116 [0,2,0,0,0,0|1,0,1]=4 420 B12R1.43 N[C@H]([13CH2]C1=CC=CC=C1)C(=O)O D99537 [0,2,0,0,0,0|1,0,1]=4 421 B12R1.43 [15NH2][C@@H](CC1=CC=CC=C1)C(=O)O 41399 [0,2,0,0,0,0|1,0,1]=4 422 B12R1.118 CN[C@H](CO)CC1=CC=CC=C1 N12975 [0,2,0,0,0,0|1,0,0]=3 423 B12R1.118 NC[C@@H](CO)CC1=CC=CC=C1 C76076 [0,2,0,0,0,0|1,0,0]=3 424 B12R1.118 NC[C@@H](CO)CC1=CC=NC=C1 C90589 [0,2,0,0,0,0|2,0,0]=4 425 B12R1.891 O=P(O)(O)CCC1=CC=CC=C1 T72496 [0,2,0,0,0,0|2,0,0]=4 426 B12R1.891 [2H]C([2H])(O)COC1=CC=CC=C1 D99604 [0,2,0,0,0,0|0,0,0]=2 427 B10R2.6 C1=CC(C2CC2)=CC=N1 59829 [1,0,0,1,0,0|2,0,0]=4 428 B10R2.7 C1=CC2=C(C=C1)SCO2 76474 [1,0,0,1,0,0|0,1,0]=3 429 B10R2.7 C1=CC2=C(C=C1)SCS2 D71935 [1,0,0,1,0,0|0,2,0]=4 430 B10R2.7 C1=CN=C2NCCC2=C1 C13729 [1,0,0,1,0,0|2,0,0]=4 431 B10R2.320 N[C@H]1CC2=C1C=CC=C2 AT20398 [1,0,0,1,0,0|1,0,0]=3 432 B12R2.24 BrC1=CC2=C(C=C1)OCCN2 51779 [0,1,0,1,0,0|1,0,0]=3 433 B12R2.24 BrC1=NC2=C(C=C1)NCCO2 88361 [0,1,0,1,0,0|2,0,0]=4 434 B12R2.24 Br[C@H]1CCC2=C(C=CC=C2)C1 F13406 [0,1,0,1,0,0|2,0,0]=4 435 B12R2.24 CC1=CC2=C(C=C1)NCCO2 AC6673 [0,1,0,1,0,0|1,0,0]=3 436 B12R2.24 CC1=CC2=C(C=C1)OCCN2 VT1288 [0,1,0,1,0,0|1,0,0]=3 437 B12R2.24 CC1=CC2=C(C=C1)SCCN2 W10110 [0,1,0,1,0,0|1,1,0]=4 438 B12R2.24 CC1=CC2=C(C=N1)NCCO2 D96756 [0,1,0,1,0,0|2,0,0]=4 439 B12R2.24 C[C@@H]1CNC2=C(C=CC=C2)C1 F50994 [0,1,0,1,0,0|2,0,0]=4 440 B12R2.24 C[C@H]1CNC2=C(C=CN=C2)O1 AT21909 [0,1,0,1,0,0|2,0,0]=4 441 B12R2.24 C[C@H]1CSC2=C(C=CC=C2)N1 W10084 [0,1,0,1,0,0|1,1,0]=4 442 B12R2.24 ClC1=CC2=C(C=C1)CCCC2 Y10725 [0,1,0,1,0,0|2,0,0]=4 443 B12R2.24 ClC1=CC2=C(C=C1)SCCN2 AT25438 [0,1,0,1,0,0|1,1,0]=4 444 B12R2.24 ClC1=CC2=C(C=C1)SCCN2 AT25439 [0,1,0,1,0,0|1,1,0]=4 445 B12R2.24 ClC1=CN=C2OCCNC2=C1 AC3457 [0,1,0,1,0,0|2,0,0]=4 446 B12R2.24 ClC1=NC=C2OCCNC2=C1 P20382 [0,1,0,1,0,0|2,0,0]=4 447 B12R2.24 IC1=NC2=C(C=C1)OCCN2 C74808 [0,1,0,1,0,0|2,0,0]=4 448 B12R2.24 NC1=CC2=C(C=C1)NCCO2 AC6390 [0,1,0,1,0,0|1,0,0]=3 449 B12R2.24 NC1=CC2=C(C=C1)OCCN2 AC5752 [0,1,0,1,0,0|1,0,0]=3 450 B12R2.24 NC1=CC=C2OCCOC2=N1 AC9542 [0,1,0,1,0,0|1,0,0]=3 451 B12R2.24 NC1=CN=C2OCCOC2=C1 AT11177 [0,1,0,1,0,0|1,0,0]=3 452 B12R2.24 N[C@@H]1COC2=C(C=CC=C2)C1 F20762 [0,1,0,1,0,0|1,0,0]=3 453 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 F13193 [0,1,0,1,0,0|2,0,0]=4 454 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 F18883 [0,1,0,1,0,0|2,0,0]=4 455 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 F18889 [0,1,0,1,0,0|2,0,0]=4 456 B12R2.24 O=C1COC2=C(C=CC=C2)C1 F53084 [0,1,0,1,0,0|0,0,2]=4 457 B12R2.24 OC1=CC2=C(C=C1)NCCO2 P20506 [0,1,0,1,0,0|1,0,0]=3 458 B12R2.24 OC1=CC2=C(C=N1)OCCN2 F50705 [0,1,0,1,0,0|2,0,0]=4 459 B12R2.24 O[C@H]1CCC2=C(C=CC=N2)C1 D78688 [0,1,0,1,0,0|2,0,0]=4 460 B12R2.79 NC1CC1C2=CC=C(F)C=C2 96610 [0,1,0,1,0,0|2,0,0]=4 461 B12R2.79 NC1CC1C2=CC=C(O)C=C2 AT19453 [0,1,0,1,0,0|2,0,0]=4 462 B12R2.79 NC1CC1C2=CC=C(O)C=C2 D88027 [0,1,0,1,0,0|2,0,0]=4 463 B12R2.79 N[C@H]1C[C@@H]1C2=CC=C(F)C=C2 96593 [0,1,0,1,0,0|2,0,0]=4 464 B12R2.79 N[C@H]1C[C@@H]1C2=CC=C(F)C=C2 E72639 [0,1,0,1,0,0|2,0,0]=4 465 B12R2.79 N[C@H]1C[C@@H]1C2=CC=C(F)C=C2 FD10509 [0,1,0,1,0,0|2,0,0]=4 466 B12R2.132 CC1=CC2=C(C=C1)CC[C@@H]2N N10962 [0,1,0,1,0,0|2,0,0]=4 467 B12R2.132 CC1=CC2=C(C=C1)CC[C@@H]2N W12236 [0,1,0,1,0,0|2,0,0]=4 468 B12R2.132 CC1=CC2=C(C=C1)OC[C@@H]2N N16524 [0,1,0,1,0,0|1,0,0]=3 469 B12R2.132 CC1=CC2=C(C=C1)OC[C@@H]2N N16525 [0,1,0,1,0,0|1,0,0]=3 470 B12R2.132 CC1=CC2=C(C=C1)OC[C@@H]2N N16526 [0,1,0,1,0,0|1,0,0]=3 471 B12R2.132 NC1=CC2=C(C=C1)OC[C@@H]2N N14632 [0,1,0,1,0,0|1,0,0]=3 472 B12R2.132 NC1=CC2=C(C=C1)OC[C@@H]2N N14633 [0,1,0,1,0,0|1,0,0]=3 473 B12R2.132 N[C@H]1CCC2=C1C=C(F)C=C2 F16937 [0,1,0,1,0,0|2,0,0]=4 474 B12R2.132 N[C@H]1CCC2=C1C=C(O)C=C2 41007 [0,1,0,1,0,0|2,0,0]=4 475 B12R2.132 N[C@H]1COC2=C1C=C(Br)C=C2 N11239 [0,1,0,1,0,0|1,0,0]=3 476 B12R2.132 N[C@H]1COC2=C1C=C(Br)C=C2 N16518 [0,1,0,1,0,0|1,0,0]=3 477 B12R2.132 N[C@H]1COC2=C1C=C(Cl)C=C2 52525 [0,1,0,1,0,0|1,0,0]=3 478 B12R2.132 N[C@H]1COC2=C1C=C(Cl)C=C2 N16514 [0,1,0,1,0,0|1,0,0]=3 479 B12R2.132 N[C@H]1COC2=C1C=C(Cl)C=C2 N16515 [0,1,0,1,0,0|1,0,0]=3 480 B12R2.132 N[C@H]1COC2=C1C=C(F)C=C2 N11261 [0,1,0,1,0,0|1,0,0]=3 481 B12R2.132 O=C1COC2=C1C=C(Cl)C=C2 52578 [0,1,0,1,0,0|0,0,2]=4 482 B12R2.132 O[C@H]1COC2=C1C=C(Br)C=C2 AT23850 [0,1,0,1,0,0|0,0,0]=2 483 B12R2.294 BrC1=CC=C(NC2CC2)C=C1 AT13548 [0,1,0,1,0,0|2,0,0]=4 484 B12R2.294 BrC1=CC=C(SC2CC2)C=C1 AT24051 [0,1,0,1,0,0|1,1,0]=4 485 B12R2.294 BrC1=CN=C(OC2CC2)C=C1 D75905 [0,1,0,1,0,0|2,0,0]=4 486 B12R2.294 FC1=CC=C(OC2CC2)C=C1 AT21306 [0,1,0,1,0,0|1,0,0]=3 487 B12R2.294 NC1=CC=C(OC2CC2)C=C1 AT11984 [0,1,0,1,0,0|1,0,0]=3 488 B12R2.2302 BrC1=CC=C([C@@H]2CCN2)C=C1 AT25319 [0,1,0,1,0,0|2,0,0]=4 489 B12R2.2302 FC1=CC=C([C@@H]2CCN2)C=C1 AT25422 [0,1,0,1,0,0|2,0,0]=4 490 B12R2.2 C1=CC=C(C2=CCCC2)C=C1 F14027 [0,1,0,1,0,0|2,0,0]=4 491 B12R2.2 C1=CC=C(C2=CCNC2)C=C1 F52289 [0,1,0,1,0,0|2,0,0]=4 492 B12R2.2 C1=CC=C(C2OCCO2)C=C1 H10024 [0,1,0,1,0,0|0,0,0]=2 493 B12R2.2 C1=CC=C(N2C=CCC2)C=C1 C14865 [0,1,0,1,0,0|2,0,0]=4 494 B12R2.2 C1=CC=C([C@@H]2CCON2)C=C1 E70057 [0,1,0,1,0,0|1,0,0]=3 495 B12R2.22 BrC1CC(C2=CC=CC=C2)C1 AT17150 [0,1,0,1,0,0|2,0,0]=4 496 B12R2.22 NC1CN(C2=CC=CC=C2)C1 P20296 [0,1,0,1,0,0|2,0,0]=4 497 B12R2.22 OC1CC(C2=CC=CC=C2)C1 91859 [0,1,0,1,0,0|1,0,0]=3 498 B12R2.27 BrC[C@@H]1C[C@@H]1C2=CC=CC=C2 55233 [0,1,0,1,0,0|2,0,0]=4 499 B12R2.27 BrC[C@H]1C[C@@H]1C2=CC=CC=C2 55239 [0,1,0,1,0,0|2,0,0]=4 500 B12R2.27 O=CC1CC1C2=CC=CC=C2 F52095 [0,1,0,1,0,0|1,0,1]=4 501 B12R2.27 OCC1CC1C2=NC=CC=C2 91729 [0,1,0,1,0,0|2,0,0]=4 502 B12R2.27 OC[C@H]1C[C@@H]1C2=NC=CC=C2 91718 [0,1,0,1,0,0|2,0,0]=4 503 B12R2.1081 BrC1=C2OCCNC2=CC=C1 D96169 [0,1,0,1,0,0|1,0,0]=3 504 B12R2.1081 BrC1=C2SCCNC2=CC=C1 69222 [0,1,0,1,0,0|1,1,0]=4 505 B12R2.1081 C=C1CCCC2=C1C=CC=C2 D87874 [0,1,0,1,0,0|2,0,0]=4 506 B12R2.1081 CC1=CC=CC2=C1NCCO2 AC7135 [0,1,0,1,0,0|1,0,0]=3 507 B12R2.1081 CC1=CC=CC2=C1OCCO2 AC8962 [0,1,0,1,0,0|0,0,0]=2 508 B12R2.1081 C[C@H]1CNCC2=C1C=CC=C2 71815 [0,1,0,1,0,0|2,0,0]=4 509 B12R2.1081 ClC1=C2CCCNC2=CC=C1 N14207 [0,1,0,1,0,0|2,0,0]=4 510 B12R2.1081 ClC1=C2NCCSC2=CC=C1 72679 [0,1,0,1,0,0|1,1,0]=4 511 B12R2.1081 ClC1=C2OCCOC2=NC=C1 AT11517 [0,1,0,1,0,0|1,0,0]=3 512 B12R2.1081 ClC1=C2SCCNC2=CC=C1 72678 [0,1,0,1,0,0|1,1,0]=4 513 B12R2.1081 Cl[C@H]1CCCC2=C1C=CC=C2 A11734 [0,1,0,1,0,0|2,0,0]=4 514 B12R2.1081 FC1=C2NCCOC2=CC=C1 90425 [0,1,0,1,0,0|1,0,0]=3 515 B12R2.1081 NC1=CC=CC2=C1NCCO2 80851 [0,1,0,1,0,0|1,0,0]=3 516 B12R2.1081 N[C@H]1CCOC2=C1N=CC=C2 E71333 [0,1,0,1,0,0|2,0,0]=4 517 B12R2.1081 N[C@H]1CSCC2=C1C=CC=C2 SC2891 [0,1,0,1,0,0|1,1,0]=4 518 B12R2.1081 OC1=C2OCCCC2=CC=C1 76490 [0,1,0,1,0,0|1,0,0]=3 519 B12R2.1081 OC1=CC=NC2=C1OCCN2 F52364 [0,1,0,1,0,0|2,0,0]=4 520 B12R2.1081 O[C@H]1CCCC2=C1C=CC=N2 90007 [0,1,0,1,0,0|2,0,0]=4 521 B12R2.1081 O[C@H]1CCCC2=CC=CN=C21 AC7539 [0,1,0,1,0,0|2,0,0]=4 522 B12R2.1081 O[C@H]1CNCC2=C1C=CC=C2 95583 [0,1,0,1,0,0|1,0,0]=3 523 B12R2.1081 O[C@H]1CNCC2=C1C=CC=C2 F13197 [0,1,0,1,0,0|1,0,0]=3 524 B12R2.2028 O=C1C[C@H](O)C2=C1C=CC=C2 93243 [0,1,0,1,0,0|1,0,0]=3 525 B12R2.2075 N[C@H](C1=CC=CC=C1)C2CC2 F13978 [0,1,0,1,0,0|2,0,0]=4 526 B12R2.32 BrCC1=CC2=C(C=CC=C2)O1 AC6096 [0,1,0,1,0,0|1,0,1]=4 527 B12R2.32 ClCC1=CC2=C(C=CC=C2)O1 AC6009 [0,1,0,1,0,0|1,0,1]=4 528 B12R2.32 NCC1=NC2=C(C=CC=C2)O1 20190 [0,1,0,1,0,0|1,0,1]=4 529 B12R2.196 CC1=C2OC[C@H](N)C2=CC=C1 N11245 [0,1,0,1,0,0|1,0,0]=3 530 B12R2.196 CC1=C2OC[C@H](N)C2=CC=C1 N16519 [0,1,0,1,0,0|1,0,0]=3 531 B12R2.196 CC1=C2OC[C@H](N)C2=CC=C1 N16520 [0,1,0,1,0,0|1,0,0]=3 532 B12R2.196 CC1=CC=CC2=C1CC[C@@H]2N N10987 [0,1,0,1,0,0|2,0,0]=4 533 B12R2.196 CC1=CC=CC2=C1CC[C@@H]2N N10988 [0,1,0,1,0,0|2,0,0]=4 534 B12R2.196 CC1=CC=CC2=C1CC[C@@H]2N N10989 [0,1,0,1,0,0|2,0,0]=4 535 B12R2.196 CC1=CC=CC2=C1CC[C@@H]2N N12838 [0,1,0,1,0,0|2,0,0]=4 536 B12R2.196 CC1=CC=CC2=C1OCC2=O 32296 [0,1,0,1,0,0|0,0,2]=4 537 B12R2.196 N[C@H]1CCC2=C(Cl)C=CC=C21 Y11667 [0,1,0,1,0,0|2,0,0]=4 538 B12R2.196 N[C@H]1CCC2=C(F)C=CC=C21 F16929 [0,1,0,1,0,0|2,0,0]=4 539 B12R2.196 N[C@H]1CCC2=C(F)C=CC=C21 N10489 [0,1,0,1,0,0|2,0,0]=4 540 B12R2.196 N[C@H]1COC2=C(Br)C=CC=C21 F16955 [0,1,0,1,0,0|1,0,0]=3 541 B12R2.196 N[C@H]1COC2=C(Br)C=CC=C21 F17000 [0,1,0,1,0,0|1,0,0]=3 542 B12R2.196 N[C@H]1COC2=C(Cl)C=CC=C21 59816 [0,1,0,1,0,0|1,0,0]=3 543 B12R2.196 N[C@H]1COC2=C(Cl)C=CC=C21 F16958 [0,1,0,1,0,0|1,0,0]=3 544 B12R2.196 N[C@H]1COC2=C(F)C=CC=C21 D81329 [0,1,0,1,0,0|1,0,0]=3 545 B12R2.225 BrC1=C(NC2CC2)C=CC=C1 AT17125 [0,1,0,1,0,0|2,0,0]=4 546 B12R2.225 BrC1=C(SC2CC2)C=CC=C1 AT20841 [0,1,0,1,0,0|1,1,0]=4 547 B12R2.225 FC1=C(OC2CC2)C=CC=C1 AT21296 [0,1,0,1,0,0|1,0,0]=3 548 B12R2.225 IC1=C(OC2CC2)C=CC=C1 F53780 [0,1,0,1,0,0|1,0,0]=3 549 B12R2.517 BrC1=C([C@@H]2CCO2)C=CN=C1 66051 [0,1,0,1,0,0|2,0,0]=4 550 B12R2.80 NC1CC1C2=CC=CC(Cl)=C2 D86978 [0,1,0,1,0,0|2,0,0]=4 551 B12R2.80 N[C@H]1C[C@@H]1C2=CC=CC(Cl)=C2 AC1027 [0,1,0,1,0,0|2,0,0]=4 552 B12R2.80 N[C@H]1C[C@@H]1C2=CC=CC(F)=C2 E72638 [0,1,0,1,0,0|2,0,0]=4 553 B12R2.203 N[C@H]1CCC2=CC=CC(F)=C21 Y12096 [0,1,0,1,0,0|2,0,0]=4 554 B12R2.203 N[C@H]1COC2=CC=CC(Br)=C21 N11252 [0,1,0,1,0,0|1,0,0]=3 555 B12R2.203 N[C@H]1COC2=CC=CC(Br)=C21 N11253 [0,1,0,1,0,0|1,0,0]=3 556 B12R2.203 N[C@H]1COC2=CC=CC(Cl)=C21 N11259 [0,1,0,1,0,0|1,0,0]=3 557 B12R2.203 N[C@H]1COC2=CC=CC(Cl)=C21 N16516 [0,1,0,1,0,0|1,0,0]=3 558 B12R2.203 O=C1COC2=CC=CC(Cl)=C12 AT10336 [0,1,0,1,0,0|0,0,2]=4 559 B12R2.203 O[C@H]1CSC2=CC=CC(Br)=C21 D76237 [0,1,0,1,0,0|0,1,0]=3 560 B12R2.612 CC1=CC2=C(C=C1)[C@@H](N)CC2 N10840 [0,1,0,1,0,0|2,0,0]=4 561 B12R2.612 CC1=CC2=C(C=C1)[C@@H](N)CO2 N11326 [0,1,0,1,0,0|1,0,0]=3 562 B12R2.612 CC1=CC2=C(C=C1)[C@@H](N)CO2 N16521 [0,1,0,1,0,0|1,0,0]=3 563 B12R2.612 CC1=CC2=C(C=C1)[C@@H](N)CO2 N16523 [0,1,0,1,0,0|1,0,0]=3 564 B12R2.612 ClC1=CC2=C(C=C1)[C@@H](Br)CC2 AT21847 [0,1,0,1,0,0|2,0,0]=4 565 B12R2.612 Cl[C@H]1CCC2=C1C=CC(Br)=C2 O11349 [0,1,0,1,0,0|2,0,0]=4 566 B12R2.612 NC1=CC2=C(C=C1)[C@@H](N)CO2 N14630 [0,1,0,1,0,0|1,0,0]=3 567 B12R2.612 NC1=CC2=C(C=C1)[C@@H](N)CO2 N14631 [0,1,0,1,0,0|1,0,0]=3 568 B12R2.612 N[C@H]1CCC2=C1C=CC(F)=C2 69968 [0,1,0,1,0,0|2,0,0]=4 569 B12R2.612 N[C@H]1CCC2=C1C=CC(F)=C2 F16940 [0,1,0,1,0,0|2,0,0]=4 570 B12R2.612 N[C@H]1CCC2=C1C=CC(F)=C2 Y11252 [0,1,0,1,0,0|2,0,0]=4 571 B12R2.612 N[C@H]1COC2=C1C=CC(Br)=C2 N11256 [0,1,0,1,0,0|1,0,0]=3 572 B12R2.612 O[C@H]1COC2=C1C=CC(Cl)=C2 AT21520 [0,1,0,1,0,0|0,0,0]=2 573 B12R2.2313 OC1=CC(C2CCC2)=CC=C1 97837 [0,1,0,1,0,0|2,0,0]=4 574 B12R2.1 CN[C@H]1CCC2=C1C=CC=C2 AT22267 [0,1,0,1,0,0|2,0,0]=4 575 B12R2.1 ClCC1=COC2=C1C=CC=C2 C76142 [0,1,0,1,0,0|1,0,1]=4 576 B12R2.1 N#C[C@H]1CCC2=C1C=CC=C2 81813 [0,1,0,1,0,0|2,0,0]=4 577 B12R2.1 NCC1=COC2=C1C=CC=C2 AC4652 [0,1,0,1,0,0|1,0,1]=4 578 B12R2.1 NC[C@H]1CCC2=C1C=CC=C2 20176 [0,1,0,1,0,0|2,0,0]=4 579 B12R2.1 NC[C@H]1CNC2=C1C=CC=C2 AC7339 [0,1,0,1,0,0|2,0,0]=4 580 B12R2.1 O=C[C@@H]1CCC2=C1C=CC=C2 D78606 [0,1,0,1,0,0|1,0,1]=4 581 B12R2.1 OCC1=COC2=C1C=CC=C2 AC6184 [0,1,0,1,0,0|0,0,1]=3 582 B12R2.1 OCC1=NOC2=NC=CC=C12 F13056 [0,1,0,1,0,0|1,0,1]=4 583 B12R2.1 OC[C@H]1CCC2=C1C=CC=C2 AC3163 [0,1,0,1,0,0|1,0,0]=3 584 B12R2.2058 C1=CC(OC2CNC2)=CC=N1 88528 [0,1,0,1,0,0|2,0,0]=4 585 B12R2.2058 C1=CN=C(OC2CNC2)C=C1 88530 [0,1,0,1,0,0|2,0,0]=4 586 B12R2.94 NC1(CC2=CC=CC=C2)CC1 D74695 [0,1,0,1,0,0|2,0,0]=4 587 B12R3.12 C1=CC2=C(C=C1)C3OC3C2 F51253 [0,0,0,2,0,0|1,0,0]=3 588 B8R1.8 BrCCC1=CC=CS1 F20027 [1,0,0,0,1,0|2,0,0]=4