0 B10R1.17 BrCCSC1=CC=NC=C1 AT18153 [0,0,0,0,0,0|4,0,0]=4 1 B10R1.17 CCCCC1=CC=CN=N1 O10974 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.17 CNCCC1=CC=CN=C1 C73747 [0,0,0,0,0,0|1,0,0]=1 3 B10R1.17 CNCCC1=CC=NC=C1 AR1715 [0,0,0,0,0,0|1,0,0]=1 4 B10R1.17 CNNCC1=NC=CC=C1 30190 [0,0,0,0,0,0|2,0,0]=2 5 B10R1.17 FCCNC1=CC=CC=C1 D77931 [0,0,0,0,0,0|3,0,0]=3 6 B10R1.17 NCCNC1=NC=CC=C1 O12009 [0,0,0,0,0,0|4,0,0]=4 7 B10R1.17 NC\C=C\C1=CC=CC=C1 A12523 [0,0,0,0,0,0|2,0,2]=4 8 B10R1.17 NNCCC1=CC=CC=C1 AC4670 [0,0,0,0,0,0|1,0,0]=1 9 B10R1.17 NOCCC1=CC=CC=C1 C10179 [0,0,0,0,0,0|2,0,0]=2 10 B10R1.17 O=CCCC1=NC=CC=C1 P20552 [0,0,0,0,0,0|3,0,0]=3 11 B10R1.17 O=CCOC1=CC=CC=C1 C15303 [0,0,0,0,0,0|3,0,0]=3 12 B10R1.17 O=CNCC1=NC=CC=C1 AC6369 [0,0,0,0,0,0|4,0,0]=4 13 B10R1.17 OCCCC1=CCC=CC1 72320 [0,0,0,0,0,0|2,0,2]=4 14 B10R1.17 OCCCC1=CN=CC=C1 AC5531 [0,0,0,0,0,0|3,0,0]=3 15 B10R1.17 OCCOC1=NC=CC=C1 C90307 [0,0,0,0,0,0|4,0,0]=4 16 B10R1.17 SCCCC1=CN=CC=C1 F18019 [0,0,0,0,0,0|3,0,0]=3 17 B10R1.17 SCCCC1=NC=CC=C1 F18728 [0,0,0,0,0,0|3,0,0]=3 18 B9R1.8 BrCCC1=CN=CC=C1 C77647 [1,0,0,0,0,0|2,0,0]=3 19 B9R1.8 C#C[I+]C1=CC=CC=C1 T71678 [1,0,0,0,0,0|1,0,2]=4 20 B9R1.8 CCCC1=CC=CN=C1 O11051 [1,0,0,0,0,0|1,0,0]=2 21 B9R1.8 CCC[N+]1=CC=CC=C1 T72121 [1,0,0,0,0,0|1,0,0]=2 22 B9R1.8 CCNC1=NC=CN=C1 C76036 [1,0,0,0,0,0|3,0,0]=4 23 B9R1.8 CNCC1=CN=CN=C1 38577 [1,0,0,0,0,0|2,0,0]=3 24 B9R1.8 CNCC1=NC=CC=N1 27199 [1,0,0,0,0,0|2,0,0]=3 25 B9R1.8 CNCC1=NC=CC=N1 72796 [1,0,0,0,0,0|2,0,0]=3 26 B9R1.8 CNCC1=NC=NC=C1 C14477 [1,0,0,0,0,0|2,0,0]=3 27 B9R1.8 CNNC1=CC=CC=C1 C77159 [1,0,0,0,0,0|1,0,0]=2 28 B9R1.8 FCCC1=CC=CC=C1 75534 [1,0,0,0,0,0|1,0,0]=2 29 B9R1.8 IC#CC1=CC=CC=C1 N11813 [1,0,0,0,0,0|1,0,2]=4 30 B9R1.8 NCCC1=CC=CC=C1 T71816 [1,0,0,0,0,0|0,0,0]=1 31 B9R1.8 NCCC1=CC=CC=C1 T72591 [1,0,0,0,0,0|0,0,0]=1 32 B9R1.8 NCCC1=NC=CC=N1 83201 [1,0,0,0,0,0|2,0,0]=3 33 B9R1.8 NCCC1=NC=CC=N1 P10852 [1,0,0,0,0,0|2,0,0]=3 34 B9R1.8 NCCC1=NC=CN=C1 AT22557 [1,0,0,0,0,0|2,0,0]=3 35 B9R1.8 NCCC1=NC=NC=C1 P10950 [1,0,0,0,0,0|2,0,0]=3 36 B9R1.8 NNCC1=NC=CC=C1 P10521 [1,0,0,0,0,0|2,0,0]=3 37 B9R1.8 NNCC1=NC=CN=C1 D78817 [1,0,0,0,0,0|3,0,0]=4 38 B9R1.8 NNCC1=NC=CN=C1 P19174 [1,0,0,0,0,0|3,0,0]=4 39 B9R1.8 OCCC1=CC=NC=C1 T72404 [1,0,0,0,0,0|2,0,0]=3 40 B9R1.8 OCCC1=NN=CC=C1 D77083 [1,0,0,0,0,0|3,0,0]=4 41 B9R1.8 SCCC1=NC=CC=C1 F18309 [1,0,0,0,0,0|2,0,0]=3 42 B9R1.8 [C-]#[N+]CC1=CC=NC=C1 AC8779 [1,0,0,0,0,0|1,0,2]=4 43 B9R1.8 [C-]#[N+]CC1=CN=CC=C1 F16136 [1,0,0,0,0,0|1,0,2]=4 44 B11R1.1 C#CCNC1=CC=C(Cl)C=C1 D75666 [0,1,0,0,0,0|2,0,1]=4 45 B11R1.1 C#CCOC1=CC=C(I)C=C1 AT23376 [0,1,0,0,0,0|2,0,1]=4 46 B11R1.1 C=CCOC1=CC=C(Br)C=C1 71195 [0,1,0,0,0,0|2,0,1]=4 47 B11R1.1 CC1=CC=C(CCCN)C=C1 C78299 [0,1,0,0,0,0|2,0,0]=3 48 B11R1.1 CC1=CC=C(OCC#N)C=C1 AC7568 [0,1,0,0,0,0|3,0,0]=4 49 B11R1.1 CNCCC1=CC=C(Br)C=C1 C78422 [0,1,0,0,0,0|0,0,0]=1 50 B11R1.1 CNCCC1=CC=C(C)C=C1 C78074 [0,1,0,0,0,0|0,0,0]=1 51 B11R1.1 CNCCC1=NC=C(Br)C=N1 AT18381 [0,1,0,0,0,0|2,0,0]=3 52 B11R1.1 COCCC1=CC=C(Br)C=C1 28244 [0,1,0,0,0,0|1,0,0]=2 53 B11R1.1 COCCC1=CC=C(N)C=C1 F11764 [0,1,0,0,0,0|1,0,0]=2 54 B11R1.1 COCOC1=NC=C(Br)C=C1 F19737 [0,1,0,0,0,0|3,0,0]=4 55 B11R1.1 CONCC1=CC=C(Br)C=C1 N11596 [0,1,0,0,0,0|2,0,0]=3 56 B11R1.1 ClC1=CC=C(CCCBr)C=C1 S11935 [0,1,0,0,0,0|2,0,0]=3 57 B11R1.1 N#CCCC1=CC=C(O)C=C1 C15091 [0,1,0,0,0,0|2,0,0]=3 58 B11R1.1 NC1=CC=C(OCCCl)C=C1 72016 [0,1,0,0,0,0|3,0,0]=4 59 B11R1.1 NC1=CC=C(OCCO)C=C1 F16836 [0,1,0,0,0,0|3,0,0]=4 60 B11R1.1 NCCCC1=CC=C(N)C=C1 C78351 [0,1,0,0,0,0|2,0,0]=3 61 B11R1.1 NCCSC1=CC=C(Br)C=C1 C78402 [0,1,0,0,0,0|3,0,0]=4 62 B11R1.1 O=CNCC1=CC=C(Cl)C=C1 AB6809 [0,1,0,0,0,0|3,0,0]=4 63 B11R1.1 OCCNC1=CC=C(F)C=C1 I11182 [0,1,0,0,0,0|3,0,0]=4 64 B11R1.1 OCCSC1=CC=C(Br)C=C1 AT20956 [0,1,0,0,0,0|3,0,0]=4 65 B11R1.16 C#CC[C@H](O)C1=CC=CC=C1 W15219 [0,1,0,0,0,0|1,0,1]=3 66 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 N12265 [0,1,0,0,0,0|1,0,0]=2 67 B11R1.16 CN(CCBr)C1=CC=CC=C1 W15250 [0,1,0,0,0,0|3,0,0]=4 68 B11R1.16 CNC[C@H](C)C1=CC=CC=C1 C11240 [0,1,0,0,0,0|0,0,0]=1 69 B11R1.16 CNC[C@H](O)C1=CC=CC=C1 C11214 [0,1,0,0,0,0|0,0,0]=1 70 B11R1.16 COC[C@H](N)C1=CC=CC=C1 AC6537 [0,1,0,0,0,0|1,0,0]=2 71 B11R1.16 NCC[C@H](N)C1=CC=CC=C1 N14729 [0,1,0,0,0,0|2,0,0]=3 72 B11R1.16 NCC[C@H](N)C1=CC=CC=C1 N14730 [0,1,0,0,0,0|2,0,0]=3 73 B11R1.16 OCC[C@H](O)C1=CC=CC=C1 C80043 [0,1,0,0,0,0|2,0,0]=3 74 B11R1.17 BrCCCC1=C(Br)C=CC=C1 C77748 [0,1,0,0,0,0|2,0,0]=3 75 B11R1.17 C#CCOC1=C(Br)C=CC=C1 AT23367 [0,1,0,0,0,0|2,0,1]=4 76 B11R1.17 C#CCOC1=C(Cl)C=CC=C1 AT23368 [0,1,0,0,0,0|2,0,1]=4 77 B11R1.17 C#CCOC1=C(I)C=CC=C1 AT23373 [0,1,0,0,0,0|2,0,1]=4 78 B11R1.17 C=CCCC1=C(Br)C=NC=C1 S10194 [0,1,0,0,0,0|2,0,1]=4 79 B11R1.17 CC1=CC=CN=C1CCCN W10139 [0,1,0,0,0,0|3,0,0]=4 80 B11R1.17 CCCOC1=C(N)C=CC=C1 AC7746 [0,1,0,0,0,0|2,0,0]=3 81 B11R1.17 CCNCC1=C(Cl)C=CC=C1 C16114 [0,1,0,0,0,0|2,0,0]=3 82 B11R1.17 CNCCC1=C(C)C=CC=C1 C78447 [0,1,0,0,0,0|0,0,0]=1 83 B11R1.17 CNCCC1=C(Cl)C=CC=C1 C78279 [0,1,0,0,0,0|0,0,0]=1 84 B11R1.17 ClC1=C(CCCBr)C=CC=C1 C78298 [0,1,0,0,0,0|2,0,0]=3 85 B11R1.17 N#CCOC1=C(Cl)C=CC=C1 AC7530 [0,1,0,0,0,0|3,0,0]=4 86 B11R1.17 NCCCC1=C(Cl)C=CC=C1 C78000 [0,1,0,0,0,0|2,0,0]=3 87 B11R1.17 NCCCC1=C(F)C=CC=C1 F20045 [0,1,0,0,0,0|2,0,0]=3 88 B11R1.17 NCCCN1C=CC=CC1=O AT19227 [0,1,0,0,0,0|3,0,0]=4 89 B11R1.17 NCCOC1=C(Cl)C=CC=C1 L10067 [0,1,0,0,0,0|3,0,0]=4 90 B11R1.17 O=C1C=CC=CN1CCCO AT19228 [0,1,0,0,0,0|3,0,0]=4 91 B11R1.17 OCCCC1=C(O)C=CC=N1 85302 [0,1,0,0,0,0|3,0,0]=4 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|3,0,0]=4 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|2,0,0]=3 96 B11R1.24 CCCC[N+]1=CC(C)=CC=C1 C93515 [0,1,0,0,0,0|2,0,0]=3 97 B11R1.24 CCNCC1=CC(Br)=CN=C1 F19801 [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|2,0,0]=3 99 B11R1.24 CNCCC1=CC=CC(Br)=C1 C78466 [0,1,0,0,0,0|0,0,0]=1 100 B11R1.24 COCCC1=CC(N)=NC=C1 AT18204 [0,1,0,0,0,0|2,0,0]=3 101 B11R1.24 ClC1=CC=CC(CCCBr)=C1 C78574 [0,1,0,0,0,0|2,0,0]=3 102 B11R1.24 N#CCCC1=CC=CC(F)=C1 97618 [0,1,0,0,0,0|2,0,0]=3 103 B11R1.24 N#CCOC1=CC(O)=CC=C1 C77746 [0,1,0,0,0,0|3,0,0]=4 104 B11R1.24 NC1=CC(CCCO)=NC=C1 AC5942 [0,1,0,0,0,0|3,0,0]=4 105 B11R1.24 NC1=CC=CC(OCCO)=C1 C78268 [0,1,0,0,0,0|3,0,0]=4 106 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|2,0,0]=3 110 B11R1.24 O=CNCC1=CC=CC(F)=C1 Y10034 [0,1,0,0,0,0|3,0,0]=4 111 B11R1.24 [C-]#[N+]CCC1=CC=CC(F)=C1 50335 [0,1,0,0,0,0|0,0,2]=3 112 B11R1.28 CCCCNC1=CC=NC=C1 F21501 [0,1,0,0,0,0|2,0,0]=3 113 B11R1.28 CCNCCC1=CC=CC=C1 AC5622 [0,1,0,0,0,0|0,0,0]=1 114 B11R1.28 N#CCCNC1=NC=CC=C1 N13320 [0,1,0,0,0,0|3,0,0]=4 115 B11R1.28 NCC\C=C\C1=CC=CC=C1 F15194 [0,1,0,0,0,0|1,0,2]=4 116 B11R1.28 NNCCOC1=CC=CC=C1 AC4849 [0,1,0,0,0,0|1,0,0]=2 117 B11R1.28 NOCCOC1=CC=CC=C1 AT21707 [0,1,0,0,0,0|2,0,0]=3 118 B11R1.28 OCCCCC1=CC=NC=C1 31475 [0,1,0,0,0,0|2,0,0]=3 119 B11R1.40 CC[C@H](N)CC1=CC=CC=C1 74053 [0,1,0,0,0,0|1,0,0]=2 120 B11R1.40 CNC(=S)NC1=CC=CC=C1 T72207 [0,1,0,0,0,0|1,0,1]=3 121 B11R1.40 C[C@H](C=O)CC1=CC=CC=C1 F16111 [0,1,0,0,0,0|2,0,0]=3 122 B11R1.40 N#CC(=O)CC1=CC=CC=C1 AC5929 [0,1,0,0,0,0|2,0,1]=4 123 B11R1.40 N#C[C@@H](F)SC1=CC=CC=C1 D90673 [0,1,0,0,0,0|3,0,0]=4 124 B11R1.40 NC[C@@H](N)CC1=CC=CC=C1 N14383 [0,1,0,0,0,0|2,0,0]=3 125 B11R1.40 NC[C@@H](N)CC1=CC=CC=C1 N14384 [0,1,0,0,0,0|2,0,0]=3 126 B11R1.40 NC[C@@H](N)CC1=CC=CC=C1 N14385 [0,1,0,0,0,0|2,0,0]=3 127 B11R1.40 NNC(=O)CC1=NC=CC=C1 AT10923 [0,1,0,0,0,0|2,0,1]=4 128 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 C78372 [0,1,0,0,0,0|2,0,0]=3 129 B11R1.40 O\N=C(/Cl)CC1=CC=CC=C1 AC6652 [0,1,0,0,0,0|1,0,2]=4 130 B11R1.91 CC(=O)CCC1=CC=NC=C1 AT24518 [0,1,0,0,0,0|2,0,0]=3 131 B11R1.91 CC(=O)COC1=NC=CC=C1 AC9007 [0,1,0,0,0,0|3,0,0]=4 132 B11R1.91 CC(C)NCC1=CC=CN=C1 AC5151 [0,1,0,0,0,0|3,0,0]=4 133 B11R1.91 CC(C)NCC1=CC=NC=C1 AC6648 [0,1,0,0,0,0|3,0,0]=4 134 B11R1.91 C[C@H](N)COC1=CC=CC=C1 N12753 [0,1,0,0,0,0|2,0,0]=3 135 B11R1.91 C[C@H](N)COC1=CC=CC=C1 N12763 [0,1,0,0,0,0|2,0,0]=3 136 B11R1.91 C[C@H](N)CSC1=CC=CC=C1 AT26670 [0,1,0,0,0,0|2,0,0]=3 137 B11R1.91 N=C(N)CCC1=NC=CC=C1 C14497 [0,1,0,0,0,0|3,0,0]=4 138 B11R1.91 N=C(N)NCC1=CC=CC=C1 S12114 [0,1,0,0,0,0|3,0,0]=4 139 B11R1.91 NC(=O)CCC1=NC=CC=C1 AC6900 [0,1,0,0,0,0|3,0,0]=4 140 B11R1.91 NC(N)=NCC1=CC=CC=C1 H10078 [0,1,0,0,0,0|3,0,0]=4 141 B11R2.1 BrC1=CCC2=C1C=CC=C2 D78625 [0,0,0,1,0,0|2,0,1]=4 142 B11R2.1 CC1=C2C=CC=CC2=NO1 AC6101 [0,0,0,1,0,0|3,0,0]=4 143 B11R2.1 CN1C=CC2=C1C=CN=C2 D70942 [0,0,0,1,0,0|1,0,2]=4 144 B11R2.1 C[C@H]1CNC2=C1C=CC=C2 W18948 [0,0,0,1,0,0|2,0,0]=3 145 B11R2.1 N[C@H]1CCC2=C1C=CC=C2 41003 [0,0,0,1,0,0|2,0,0]=3 146 B11R2.1 N[C@H]1CCC2=CC=CN=C21 D81362 [0,0,0,1,0,0|3,0,0]=4 147 B11R2.1 N[C@H]1CCC2=NC=CC=C21 D79496 [0,0,0,1,0,0|3,0,0]=4 148 B11R2.1 N[C@H]1COC2=C1C=CC=C2 I11926 [0,0,0,1,0,0|3,0,0]=4 149 B11R2.1 ON1N=CC2=C1C=CC=C2 E70293 [0,0,0,1,0,0|2,0,1]=4 150 B11R2.1 O[C@H]1COC2=C1C=CC=C2 AT19563 [0,0,0,1,0,0|3,0,0]=4 151 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 C14923 [0,0,0,1,0,0|2,0,0]=3 152 B11R2.20 C1=CN=C2CNCCC2=C1 P10652 [0,0,0,1,0,0|1,0,0]=2 153 B11R2.20 C1=NC=C2CCNCC2=N1 P19161 [0,0,0,1,0,0|2,0,0]=3 154 B11R2.239 C1=CC(C2CNC2)=NC=N1 74669 [0,0,0,1,0,0|2,0,0]=3 155 B11R2.239 C1=CC=C(C2CCC2)C=C1 F52090 [0,0,0,1,0,0|1,0,0]=2 156 B11R2.239 C1=CC=C([C@@H]2CCN2)C=C1 A50749 [0,0,0,1,0,0|2,0,0]=3 157 B11R2.239 C1=CN=C(C2CNC2)C=C1 F31095 [0,0,0,1,0,0|1,0,0]=2 158 B11R2.988 NC[C@H]1CC2=C1C=CC=C2 AT20374 [0,0,0,1,0,0|2,0,0]=3 159 B11R2.988 OC[C@H]1CC2=C1C=CC=C2 67862 [0,0,0,1,0,0|2,0,0]=3 160 B9R1.12 CNCCC1=CC=CS1 AT16732 [0,0,0,0,1,0|1,0,0]=2 161 B9R1.12 CNCCC1=CN=CN1 D86292 [0,0,0,0,1,0|2,0,0]=3 162 B9R1.12 CNCCN1C=NC=N1 D76610 [0,0,0,0,1,0|3,0,0]=4 163 B9R1.12 ICCCC1=CC=CS1 AC6959 [0,0,0,0,1,0|3,0,0]=4 164 B8R1.2 CNC1=CC=CN=N1 79165 [2,0,0,0,0,0|2,0,0]=4 165 B8R1.2 NCC1=CC=CC=C1 T70846 [2,0,0,0,0,0|0,0,0]=2 166 B8R1.2 [2H]OC1=CC=CC=C1 D99313 [2,0,0,0,0,0|2,0,0]=4 167 B10R1.1 CC1=CC=C(CNN)C=C1 O10110 [1,1,0,0,0,0|1,0,0]=3 168 B10R1.1 CC1=CN=C(CCN)N=C1 AT18271 [1,1,0,0,0,0|2,0,0]=4 169 B10R1.1 CC1=NC=C(CNN)C=C1 F15210 [1,1,0,0,0,0|2,0,0]=4 170 B10R1.1 CCOC1=NC=C(O)C=C1 D75011 [1,1,0,0,0,0|2,0,0]=4 171 B10R1.1 CNCC1=NC=C(Br)C=N1 AT18380 [1,1,0,0,0,0|2,0,0]=4 172 B10R1.1 CNCC1=NC=C(Cl)C=C1 AT26664 [1,1,0,0,0,0|1,0,0]=3 173 B10R1.1 COCC1=CC=C(S)C=C1 AT20980 [1,1,0,0,0,0|1,0,0]=3 174 B10R1.1 CSCC1=CC=C(Cl)C=C1 W18700 [1,1,0,0,0,0|1,0,0]=3 175 B10R1.1 NC1=CC=C(OCF)C=C1 68782 [1,1,0,0,0,0|2,0,0]=4 176 B10R1.1 NCCC1=CC=C(I)C=C1 C78427 [1,1,0,0,0,0|0,0,0]=2 177 B10R1.1 NCCC1=NC=C(Br)C=C1 P10593 [1,1,0,0,0,0|1,0,0]=3 178 B10R1.1 NNCC1=CC=C(Br)C=C1 AC3503 [1,1,0,0,0,0|1,0,0]=3 179 B10R1.1 NNCC1=CC=C(Cl)C=C1 37006 [1,1,0,0,0,0|1,0,0]=3 180 B10R1.1 N\N=C\C1=CC=C(O)C=C1 F15571 [1,1,0,0,0,0|1,0,1]=4 181 B10R1.1 OCCC1=CN=C(Br)C=C1 AC9473 [1,1,0,0,0,0|2,0,0]=4 182 B10R1.1 OCCC1=CN=C(F)C=C1 AC9525 [1,1,0,0,0,0|2,0,0]=4 183 B10R1.4 CC1=C(CC=O)C=CC=C1 W16821 [1,1,0,0,0,0|1,0,1]=4 184 B10R1.4 CC1=C(CON)C=CC=C1 D77271 [1,1,0,0,0,0|1,0,0]=3 185 B10R1.4 CCCC1=C(C)C=CC=C1 T71577 [1,1,0,0,0,0|0,0,0]=2 186 B10R1.4 CCCC1=CN=CN=C1Cl F11792 [1,1,0,0,0,0|2,0,0]=4 187 B10R1.4 CCNC1=C(F)C=CC=C1 D87863 [1,1,0,0,0,0|1,0,0]=3 188 B10R1.4 CCNC1=CC=CN=C1O F30124 [1,1,0,0,0,0|2,0,0]=4 189 B10R1.4 CCNC1=NC=CC=C1N AC7989 [1,1,0,0,0,0|2,0,0]=4 190 B10R1.4 CCOC1=C(C)C=CN=C1 AC4346 [1,1,0,0,0,0|2,0,0]=4 191 B10R1.4 CCOC1=C(F)C=CC=N1 F53248 [1,1,0,0,0,0|2,0,0]=4 192 B10R1.4 CCOC1=CC=CN=C1Cl W17868 [1,1,0,0,0,0|2,0,0]=4 193 B10R1.4 CCSC1=C(Br)C=CC=C1 AT20838 [1,1,0,0,0,0|1,0,0]=3 194 B10R1.4 CCSC1=C(O)C=CC=C1 AT20889 [1,1,0,0,0,0|1,0,0]=3 195 B10R1.4 CNCC1=C(F)C=CC=N1 P10655 [1,1,0,0,0,0|1,0,0]=3 196 B10R1.4 CNCC1=C(F)C=CC=N1 P20450 [1,1,0,0,0,0|1,0,0]=3 197 B10R1.4 CNCC1=C(N)C=CC=C1 F13330 [1,1,0,0,0,0|0,0,0]=2 198 B10R1.4 NC1=C(CCF)C=NC=C1 P14647 [1,1,0,0,0,0|2,0,0]=4 199 B10R1.4 NCCN1C=CC=CC1=O F15207 [1,1,0,0,0,0|1,0,0]=3 200 B10R1.4 NCCN1C=CC=NC1=O AT13871 [1,1,0,0,0,0|2,0,0]=4 201 B10R1.4 NCCN1C=NC=CC1=O AT13878 [1,1,0,0,0,0|2,0,0]=4 202 B10R1.4 NNCC1=C(Cl)C=CC=C1 W12211 [1,1,0,0,0,0|1,0,0]=3 203 B10R1.4 O=C1C=CC=CN1CCBr AT19229 [1,1,0,0,0,0|2,0,0]=4 204 B10R1.4 O=CCC1=C(Cl)C=CC=C1 W16822 [1,1,0,0,0,0|1,0,1]=4 205 B10R1.10 CC1=CC=CC(CC=O)=C1 74805 [1,1,0,0,0,0|1,0,1]=4 206 B10R1.10 CC1=CC=CC(CCBr)=N1 AC6969 [1,1,0,0,0,0|2,0,0]=4 207 B10R1.10 CC1=CC=CC(CCN)=N1 P19093 [1,1,0,0,0,0|1,0,0]=3 208 B10R1.10 CC1=NC=CC(CNN)=C1 F52070 [1,1,0,0,0,0|2,0,0]=4 209 B10R1.10 CC1=NC=CC(CNN)=C1 F52466 [1,1,0,0,0,0|2,0,0]=4 210 B10R1.10 CCCC1=CC=CC(F)=C1 36946 [1,1,0,0,0,0|0,0,0]=2 211 B10R1.10 CCNC1=CC=CC(Cl)=C1 L10102 [1,1,0,0,0,0|1,0,0]=3 212 B10R1.10 CCNC1=CC=CC(O)=C1 F16135 [1,1,0,0,0,0|1,0,0]=3 213 B10R1.10 CCOC1=CC=CC(S)=C1 T73015 [1,1,0,0,0,0|1,0,0]=3 214 B10R1.10 CCSC1=CC(N)=CC=C1 AT20857 [1,1,0,0,0,0|1,0,0]=3 215 B10R1.10 CNCC1=CC(Cl)=NC=C1 AT26616 [1,1,0,0,0,0|1,0,0]=3 216 B10R1.10 CNCC1=NC(C)=CC=C1 D87644 [1,1,0,0,0,0|1,0,0]=3 217 B10R1.10 CNCC1=NC=CC(Cl)=C1 CS1254 [1,1,0,0,0,0|1,0,0]=3 218 B10R1.10 COCC1=CC(N)=CC=C1 30379 [1,1,0,0,0,0|1,0,0]=3 219 B10R1.10 CSCC1=CC(N)=CC=C1 AT15211 [1,1,0,0,0,0|1,0,0]=3 220 B10R1.10 NCCC1=CC=CC(I)=C1 C78608 [1,1,0,0,0,0|0,0,0]=2 221 B10R1.10 NNCC1=CC(Br)=CN=C1 P11105 [1,1,0,0,0,0|2,0,0]=4 222 B10R1.10 NNCC1=CC=CC(Cl)=C1 P15270 [1,1,0,0,0,0|1,0,0]=3 223 B10R1.10 NNCC1=CC=CC(O)=C1 D87672 [1,1,0,0,0,0|1,0,0]=3 224 B10R1.10 N\N=C\C1=CC=CC(O)=C1 F15561 [1,1,0,0,0,0|1,0,1]=4 225 B10R1.10 O=CCC1=CC=CC(Cl)=C1 W16823 [1,1,0,0,0,0|1,0,1]=4 226 B10R1.15 C=C(CO)C1=CC=CC=C1 A11577 [1,1,0,0,0,0|1,0,1]=4 227 B10R1.15 CCC(=O)C1=CC=NC=C1 N12310 [1,1,0,0,0,0|1,0,1]=4 228 B10R1.15 CCN(C)C1=NC=CC=C1 T72928 [1,1,0,0,0,0|2,0,0]=4 229 B10R1.15 CC[C@H](N)C1=CC=CC=C1 N12648 [1,1,0,0,0,0|0,0,0]=2 230 B10R1.15 CC[C@H](N)C1=NC=CC=C1 N10611 [1,1,0,0,0,0|1,0,0]=3 231 B10R1.15 CC[C@H](N)C1=NC=CN=C1 P11367 [1,1,0,0,0,0|2,0,0]=4 232 B10R1.15 CC[C@H](N)C1=NC=CN=C1 P15053 [1,1,0,0,0,0|2,0,0]=4 233 B10R1.15 CN[C@@H](C)C1=CC=CC=C1 L10186 [1,1,0,0,0,0|0,0,0]=2 234 B10R1.15 COC(=N)C1=CC=CC=C1 W12775 [1,1,0,0,0,0|1,0,1]=4 235 B10R1.15 C[C@@H](C=O)C1=CC=CC=C1 AC1146 [1,1,0,0,0,0|1,0,1]=4 236 B10R1.15 C[C@@H](C=O)C1=CC=CC=C1 AC1167 [1,1,0,0,0,0|1,0,1]=4 237 B10R1.15 C[C@H](NO)C1=CC=CC=C1 P10550 [1,1,0,0,0,0|1,0,0]=3 238 B10R1.15 C[C@H](NO)C1=CC=CC=C1 P10551 [1,1,0,0,0,0|1,0,0]=3 239 B10R1.15 C[C@H](ON)C1=CC=CC=C1 AT14528 [1,1,0,0,0,0|1,0,0]=3 240 B10R1.15 C[C@H](ON)C1=CC=CC=C1 AT14530 [1,1,0,0,0,0|1,0,0]=3 241 B10R1.15 NCC(=O)C1=CN=CC=C1 D87739 [1,1,0,0,0,0|1,0,1]=4 242 B10R1.15 NCC(=O)C1=CN=CC=C1 F13353 [1,1,0,0,0,0|1,0,1]=4 243 B10R1.15 NC[C@H](O)C1=CC=NC=C1 C78562 [1,1,0,0,0,0|1,0,0]=3 244 B10R1.15 NC[C@H](O)C1=CN=CC=C1 33361 [1,1,0,0,0,0|1,0,0]=3 245 B10R1.15 N[C@@H](CO)C1=CC=NC=C1 Y11546 [1,1,0,0,0,0|2,0,0]=4 246 B10R1.15 N[C@@H](CO)C1=CC=NC=C1 Y12429 [1,1,0,0,0,0|2,0,0]=4 247 B10R1.15 N[C@@H](CO)C1=CN=CC=C1 Y12120 [1,1,0,0,0,0|2,0,0]=4 248 B10R1.15 N[C@@H](CO)C1=NC=CC=C1 Y12118 [1,1,0,0,0,0|2,0,0]=4 249 B10R1.15 N[C@@H](CO)C1=NC=CC=C1 Y12119 [1,1,0,0,0,0|2,0,0]=4 250 B10R1.15 N[C@@H](CO)C1=NC=CC=C1 Y12430 [1,1,0,0,0,0|2,0,0]=4 251 B10R1.15 O[C@@H](CCl)C1=CN=CC=C1 Y10944 [1,1,0,0,0,0|2,0,0]=4 252 B10R1.18 CC(=O)[15NH]C1=CC=CC=C1 F21470 [1,1,0,0,0,0|1,0,1]=4 253 B10R1.18 CC(C)CC1=CC=NC=C1 AC2809 [1,1,0,0,0,0|1,0,0]=3 254 B10R1.18 C[C@H](N)CC1=CC=NC=C1 F11581 [1,1,0,0,0,0|1,0,0]=3 255 B10R1.18 C[C@H](N)CC1=NC=CC=C1 F13183 [1,1,0,0,0,0|1,0,0]=3 256 B10R1.18 C[C@H](O)CC1=CC=CC=C1 T71821 [1,1,0,0,0,0|0,0,0]=2 257 B10R1.18 C[C@H](O)CC1=CC=CC=C1 T71861 [1,1,0,0,0,0|0,0,0]=2 258 B10R1.18 C[S@](=O)CC1=CN=CC=C1 E72354 [1,1,0,0,0,0|2,0,0]=4 259 B10R1.18 N=C(N)CC1=CC=CC=C1 C15976 [1,1,0,0,0,0|0,0,1]=3 260 B10R1.18 OB(O)CC1=CC=CC=C1 32975 [1,1,0,0,0,0|2,0,0]=4 261 B10R1.11 CCC[C@H](N)C1=CC=CO1 N16695 [0,1,0,0,1,0|2,0,0]=4 262 B10R1.11 CCC[C@H](N)C1=CC=CO1 N16696 [0,1,0,0,1,0|2,0,0]=4 263 B10R1.11 CCC[C@H](N)C1=CC=CO1 N16697 [0,1,0,0,1,0|2,0,0]=4 264 B10R1.11 CCC[C@H](N)C1=CC=CS1 Y14857 [0,1,0,0,1,0|2,0,0]=4 265 B10R1.11 CCC[C@H](N)C1=COC=C1 N16726 [0,1,0,0,1,0|2,0,0]=4 266 B10R1.11 CCC[C@H](N)C1=COC=C1 N16727 [0,1,0,0,1,0|2,0,0]=4 267 B10R1.11 CCC[C@H](N)C1=COC=C1 N16728 [0,1,0,0,1,0|2,0,0]=4 268 B10R1.21 CNCCCN1C=CN=C1 72851 [0,1,0,0,1,0|2,0,0]=4 269 B10R1.29 CNCCN1C=CN=C1C D75971 [0,1,0,0,1,0|2,0,0]=4 270 B10R1.66 CN(C)CCC1=NC=CN1 AC8612 [0,1,0,0,1,0|2,0,0]=4 271 B12R1.1 BrCCCOC1=CC=C(Br)C=C1 88334 [0,2,0,0,0,0|2,0,0]=4 272 B12R1.1 BrCCOCC1=CC=C(Br)C=C1 N11537 [0,2,0,0,0,0|2,0,0]=4 273 B12R1.1 CC1=CC=C(OCCCBr)C=C1 F50438 [0,2,0,0,0,0|2,0,0]=4 274 B12R1.1 CCCCOC1=NC=C(Br)C=C1 F19758 [0,2,0,0,0,0|2,0,0]=4 275 B12R1.1 CCCNCC1=CC=C(Br)C=C1 C77919 [0,2,0,0,0,0|1,0,0]=3 276 B12R1.1 CCCNCC1=CC=C(C)C=C1 C78190 [0,2,0,0,0,0|1,0,0]=3 277 B12R1.1 CCCNCC1=CC=C(Cl)C=C1 C78300 [0,2,0,0,0,0|1,0,0]=3 278 B12R1.1 CCCNCC1=CC=C(F)C=C1 C78430 [0,2,0,0,0,0|1,0,0]=3 279 B12R1.1 CNCCCC1=CC=C(Br)C=C1 C78538 [0,2,0,0,0,0|0,0,0]=2 280 B12R1.1 CNCCCC1=CC=C(F)C=C1 C78234 [0,2,0,0,0,0|0,0,0]=2 281 B12R1.1 O=C=NCCC1=CC=C(Br)C=C1 AC6399 [0,2,0,0,0,0|0,0,2]=4 282 B12R1.1 OCCOCC1=CC=C(Br)C=C1 N11527 [0,2,0,0,0,0|2,0,0]=4 283 B12R1.1 [O-][N+]1=CC=C(CCCCCl)C=C1 44579 [0,2,0,0,0,0|2,0,0]=4 284 B12R1.16 CCC[C@H](N)C1=CC=C(F)C=C1 F21118 [0,2,0,0,0,0|1,0,0]=3 285 B12R1.16 COC[C@H](N)C1=CC=C(Br)C=C1 N11361 [0,2,0,0,0,0|1,0,0]=3 286 B12R1.16 COC[C@H](N)C1=CC=C(Cl)C=C1 N13032 [0,2,0,0,0,0|1,0,0]=3 287 B12R1.16 COC[C@H](N)C1=CC=C(F)C=C1 N13057 [0,2,0,0,0,0|1,0,0]=3 288 B12R1.16 COC[C@H](N)C1=CC=C(F)C=C1 N13150 [0,2,0,0,0,0|1,0,0]=3 289 B12R1.16 COC[C@H](N)C1=CC=C(F)C=C1 N16979 [0,2,0,0,0,0|1,0,0]=3 290 B12R1.16 NC1=CC=C([C@@H](N)CCO)C=C1 51805 [0,2,0,0,0,0|2,0,0]=4 291 B12R1.16 NCC[C@H](O)C1=CC=C(Cl)C=C1 74612 [0,2,0,0,0,0|2,0,0]=4 292 B12R1.16 N[C@@H](CCO)C1=CC=C(Cl)C=C1 58177 [0,2,0,0,0,0|2,0,0]=4 293 B12R1.16 N[C@@H](CCO)C1=CC=C(F)C=C1 60079 [0,2,0,0,0,0|2,0,0]=4 294 B12R1.16 OCC[C@H](O)C1=CC=C(Br)C=C1 AT23932 [0,2,0,0,0,0|2,0,0]=4 295 B12R1.21 CC(=O)CSC1=CC=C(Br)C=C1 21292 [0,2,0,0,0,0|2,0,0]=4 296 B12R1.21 CC(C)NCC1=CC=C(Br)C=C1 C78335 [0,2,0,0,0,0|2,0,0]=4 297 B12R1.21 CC(C)NCC1=CC=C(Cl)C=C1 C78202 [0,2,0,0,0,0|2,0,0]=4 298 B12R1.21 CC(C)NCC1=CC=C(F)C=C1 C77883 [0,2,0,0,0,0|2,0,0]=4 299 B12R1.21 CC1=CC=C(CNC(C)C)C=C1 C78416 [0,2,0,0,0,0|2,0,0]=4 300 B12R1.21 CC1=CC=C(OC[C@H](C)N)C=C1 C78123 [0,2,0,0,0,0|2,0,0]=4 301 B12R1.21 C[C@H](N)CCC1=CC=C(Br)C=C1 84991 [0,2,0,0,0,0|1,0,0]=3 302 B12R1.21 C[C@H](N)CCC1=CC=C(O)C=C1 N14377 [0,2,0,0,0,0|1,0,0]=3 303 B12R1.21 C[C@H](N)COC1=CC=C(Br)C=C1 C78409 [0,2,0,0,0,0|2,0,0]=4 304 B12R1.21 C[C@H](N)COC1=CC=C(F)C=C1 C77796 [0,2,0,0,0,0|2,0,0]=4 305 B12R1.49 CC1=CC=C(C[C@H](N)CO)C=C1 C78159 [0,2,0,0,0,0|2,0,0]=4 306 B12R1.49 CC1=CC=C(C[C@H](N)CO)C=C1 C78527 [0,2,0,0,0,0|2,0,0]=4 307 B12R1.49 CCC(=O)CC1=CC=C(Cl)C=C1 N12627 [0,2,0,0,0,0|1,0,1]=4 308 B12R1.49 CCC(=O)CC1=CC=C(I)C=C1 85181 [0,2,0,0,0,0|1,0,1]=4 309 B12R1.49 CC[C@H](N)CC1=CC=C(C)C=C1 N12825 [0,2,0,0,0,0|1,0,0]=3 310 B12R1.49 CC[C@H](N)CC1=CC=C(Cl)C=C1 N14547 [0,2,0,0,0,0|1,0,0]=3 311 B12R1.49 CC[C@H](N)CC1=CC=C(F)C=C1 N14543 [0,2,0,0,0,0|1,0,0]=3 312 B12R1.49 CC[C@H](N)CC1=CC=C(I)C=C1 85182 [0,2,0,0,0,0|1,0,0]=3 313 B12R1.49 CN[C@@H](C)CC1=CC=C(F)C=C1 N12809 [0,2,0,0,0,0|0,0,0]=2 314 B12R1.49 C[C@H](C=O)CC1=CC=C(Cl)C=C1 C76805 [0,2,0,0,0,0|2,0,0]=4 315 B12R1.49 NC1=CC=C(C[C@H](N)CO)C=C1 Y11240 [0,2,0,0,0,0|2,0,0]=4 316 B12R1.49 N[C@H](CO)CC1=CC=C(Br)C=C1 C78517 [0,2,0,0,0,0|2,0,0]=4 317 B12R1.49 N[C@H](CO)CC1=CC=C(F)C=C1 AT10694 [0,2,0,0,0,0|2,0,0]=4 318 B12R1.49 N[C@H](CO)CC1=CC=C(F)C=C1 C78160 [0,2,0,0,0,0|2,0,0]=4 319 B12R1.49 N[C@H](CO)CC1=CC=C(I)C=C1 85183 [0,2,0,0,0,0|2,0,0]=4 320 B12R1.49 N[C@H](CO)CC1=CC=C(O)C=C1 C78266 [0,2,0,0,0,0|2,0,0]=4 321 B12R1.69 CCNCC1=C(C)C=C(C)C=C1 W16027 [0,2,0,0,0,0|2,0,0]=4 322 B12R1.69 CNCCC1=C(Cl)C=C(Cl)C=C1 C78436 [0,2,0,0,0,0|0,0,0]=2 323 B12R1.69 FC1=CC(F)=C(CCCBr)C=C1 C77740 [0,2,0,0,0,0|2,0,0]=4 324 B12R1.69 NCCCC1=C(Cl)C=C(Cl)C=C1 F20099 [0,2,0,0,0,0|2,0,0]=4 325 B12R1.69 NCCCC1=C(F)C=C(F)C=C1 C78172 [0,2,0,0,0,0|2,0,0]=4 326 B12R1.69 OCCCC1=C(F)C=C(F)C=C1 C78631 [0,2,0,0,0,0|2,0,0]=4 327 B12R1.71 C=CCCC1=CC=C(OC)C=C1 AC5393 [0,2,0,0,0,0|1,0,1]=4 328 B12R1.71 CCC1=CC=C(CCCO)C=C1 C77990 [0,2,0,0,0,0|2,0,0]=4 329 B12R1.71 COC1=CC=C(CCC=O)C=C1 C15265 [0,2,0,0,0,0|2,0,0]=4 330 B12R1.71 COC1=CC=C(CCCI)C=C1 C77768 [0,2,0,0,0,0|2,0,0]=4 331 B12R1.71 CSC1=CC=C(CCCN)C=C1 N13315 [0,2,0,0,0,0|2,0,0]=4 332 B12R1.385 CC1=C(C)C=C(CCCN)C=C1 C77896 [0,2,0,0,0,0|2,0,0]=4 333 B12R1.385 CCCCC1=CC(N)=C(N)C=C1 F18184 [0,2,0,0,0,0|1,0,0]=3 334 B12R1.385 CNCCC1=CC(Cl)=C(Cl)C=C1 C78278 [0,2,0,0,0,0|0,0,0]=2 335 B12R1.385 FC1=C(F)C=C(CCCBr)C=C1 C77742 [0,2,0,0,0,0|2,0,0]=4 336 B12R1.385 NCCCC1=CC(Cl)=C(Cl)C=C1 C78454 [0,2,0,0,0,0|2,0,0]=4 337 B12R1.385 NCCCC1=CC(F)=C(F)C=C1 C78171 [0,2,0,0,0,0|2,0,0]=4 338 B12R1.385 OCCCC1=CC(F)=C(F)C=C1 C78127 [0,2,0,0,0,0|2,0,0]=4 339 B12R1.17 C=CC[C@H](N)C1=CC=CC(Br)=C1 74253 [0,2,0,0,0,0|1,0,1]=4 340 B12R1.17 CCCC(=O)C1=CC(C)=CC=C1 N13969 [0,2,0,0,0,0|1,0,1]=4 341 B12R1.17 CCCC(=O)C1=CC=CC(Cl)=C1 N13955 [0,2,0,0,0,0|1,0,1]=4 342 B12R1.17 CCCC(=O)C1=CC=CC(F)=C1 N13952 [0,2,0,0,0,0|1,0,1]=4 343 B12R1.17 COC[C@H](N)C1=CC=CC(Cl)=C1 N13031 [0,2,0,0,0,0|1,0,0]=3 344 B12R1.17 COC[C@H](N)C1=CC=CC(F)=C1 D81287 [0,2,0,0,0,0|1,0,0]=3 345 B12R1.17 N#CC[C@H](O)C1=CC=CC(O)=C1 D85736 [0,2,0,0,0,0|2,0,0]=4 346 B12R1.17 N[C@@H](CCO)C1=CC=CC(Cl)=C1 57810 [0,2,0,0,0,0|2,0,0]=4 347 B12R1.17 N[C@@H](CCO)C1=CC=CC(O)=C1 62481 [0,2,0,0,0,0|2,0,0]=4 348 B12R1.30 CCCCC(=O)C1=CC=NC=C1 N14246 [0,2,0,0,0,0|2,0,0]=4 349 B12R1.30 CCCCC(=O)C1=NC=CC=C1 N12234 [0,2,0,0,0,0|2,0,0]=4 350 B12R1.30 CCCC[C@H](N)C1=CC=NC=C1 N12642 [0,2,0,0,0,0|2,0,0]=4 351 B12R1.30 CCCC[C@H](N)C1=NC=CC=C1 N12541 [0,2,0,0,0,0|2,0,0]=4 352 B12R1.30 CCOC[C@H](N)C1=CC=CC=C1 D73857 [0,2,0,0,0,0|1,0,0]=3 353 B12R1.30 C[C@H](NCCO)C1=CC=CC=C1 N12299 [0,2,0,0,0,0|2,0,0]=4 354 B12R1.30 C[C@H](NCCO)C1=CC=CC=C1 N12300 [0,2,0,0,0,0|2,0,0]=4 355 B12R1.34 CCC(=O)[C@H](C)C1=CC=CC=C1 F30714 [0,2,0,0,0,0|1,0,1]=4 356 B12R1.34 CC[C@H](C)C(=O)C1=CC=CC=C1 N13974 [0,2,0,0,0,0|1,0,1]=4 357 B12R1.34 CNC(=O)[C@H](O)C1=CC=CC=C1 E72123 [0,2,0,0,0,0|0,0,1]=3 358 B12R1.34 COC(=O)[C@H](N)C1=CC=CC=C1 N12667 [0,2,0,0,0,0|1,0,1]=4 359 B12R1.34 C[C@@H](C(=O)NN)C1=CC=CC=C1 AC8780 [0,2,0,0,0,0|1,0,1]=4 360 B12R1.34 N[C@H](CO)[C@H](O)C1=CC=CC=C1 23172 [0,2,0,0,0,0|2,0,0]=4 361 B12R1.34 N[C@H](CO)[C@H](O)C1=CC=CC=C1 AT23147 [0,2,0,0,0,0|2,0,0]=4 362 B12R1.39 C#CC[C@](C)(O)C1=CC=CC=C1 AC6574 [0,2,0,0,0,0|1,0,1]=4 363 B12R1.39 COCS(=O)(=O)C1=CC=CC=C1 T71828 [0,2,0,0,0,0|2,0,0]=4 364 B12R1.107 CC(C)C[C@H](N)C1=CC=NC=C1 AC7589 [0,2,0,0,0,0|2,0,0]=4 365 B12R1.107 CC(C)C[C@H](O)C1=CN=CC=C1 F50992 [0,2,0,0,0,0|2,0,0]=4 366 B12R1.107 CC(C)N[C@@H](C)C1=CC=CC=C1 A11925 [0,2,0,0,0,0|2,0,0]=4 367 B12R1.107 CN(C)C[C@H](O)C1=CC=CC=C1 C78399 [0,2,0,0,0,0|0,0,0]=2 368 B12R1.308 C=CC[C@H](O)C1=C(Cl)C=CC=C1 F14511 [0,2,0,0,0,0|1,0,1]=4 369 B12R1.308 CCCC(=O)C1=C(Br)C=CC=C1 N13959 [0,2,0,0,0,0|1,0,1]=4 370 B12R1.308 CCCC(=O)C1=C(C)C=CC=C1 N13966 [0,2,0,0,0,0|1,0,1]=4 371 B12R1.308 CCCC(=O)C1=C(Cl)C=CC=C1 N12776 [0,2,0,0,0,0|1,0,1]=4 372 B12R1.308 CCCC(=O)C1=C(F)C=CC=C1 N13948 [0,2,0,0,0,0|1,0,1]=4 373 B12R1.308 CCC[C@H](N)C1=NC=CC=C1C N13874 [0,2,0,0,0,0|2,0,0]=4 374 B12R1.308 CCC[C@H](N)C1=NC=CC=C1C N13875 [0,2,0,0,0,0|2,0,0]=4 375 B12R1.308 CCC[C@H](N)C1=NC=CC=C1C N13876 [0,2,0,0,0,0|2,0,0]=4 376 B12R1.308 CCC[C@H](N)C1=NC=CC=C1C N13884 [0,2,0,0,0,0|2,0,0]=4 377 B12R1.308 CCC[C@H](N)C1=NC=CC=C1C N13885 [0,2,0,0,0,0|2,0,0]=4 378 B12R1.308 N[C@@H](CCO)C1=C(Br)C=CC=C1 N13027 [0,2,0,0,0,0|2,0,0]=4 379 B12R1.308 N[C@@H](CCO)C1=C(Cl)C=CC=C1 58181 [0,2,0,0,0,0|2,0,0]=4 380 B12R1.308 N[C@@H](CCO)C1=C(F)C=CC=C1 N10902 [0,2,0,0,0,0|2,0,0]=4 381 B12R1.25 CCCOC1=C(C)C(N)=CC=C1 F17950 [0,2,0,0,0,0|2,0,0]=4 382 B12R1.121 CNCCC1=C(OC)C=CC=C1 C77728 [0,2,0,0,0,0|0,0,0]=2 383 B12R1.121 COC1=C(CCCBr)C=CC=C1 C78175 [0,2,0,0,0,0|2,0,0]=4 384 B12R1.121 O=CCCC1=C(CO)C=CC=C1 F19762 [0,2,0,0,0,0|2,0,0]=4 385 B12R1.125 CC(=O)SCC1=C(Cl)C=CC=C1 W11173 [0,2,0,0,0,0|2,0,0]=4 386 B12R1.125 CC(C)NCC1=C(Br)C=CC=C1 C78572 [0,2,0,0,0,0|2,0,0]=4 387 B12R1.125 CC(C)NCC1=C(Cl)C=CC=C1 C78237 [0,2,0,0,0,0|2,0,0]=4 388 B12R1.125 CC(C)NCC1=C(F)C=CC=C1 C78588 [0,2,0,0,0,0|2,0,0]=4 389 B12R1.125 CC(C)OCC1=C(Br)C=CC=C1 N10193 [0,2,0,0,0,0|2,0,0]=4 390 B12R1.125 NC1=C(CCC(=O)O)C=CC=C1 F52868 [0,2,0,0,0,0|2,0,0]=4 391 B12R1.267 BrCCCCC1=C(Br)C=CC=C1 AT22148 [0,2,0,0,0,0|1,0,0]=3 392 B12R1.267 C=CCCOC1=C(Br)C=CC=C1 C11642 [0,2,0,0,0,0|1,0,1]=4 393 B12R1.267 C=CCOCC1=C(N)C=CC=C1 I11747 [0,2,0,0,0,0|1,0,1]=4 394 B12R1.267 CCCNCC1=C(Br)C=CC=C1 C78484 [0,2,0,0,0,0|1,0,0]=3 395 B12R1.267 CCCNCC1=C(C)C=CC=C1 C78482 [0,2,0,0,0,0|1,0,0]=3 396 B12R1.267 CCCNCC1=C(Cl)C=CC=C1 C78483 [0,2,0,0,0,0|1,0,0]=3 397 B12R1.267 CCCNCC1=C(F)C=CC=C1 C78370 [0,2,0,0,0,0|1,0,0]=3 398 B12R1.267 CCNCCC1=C(F)C=CC=C1 AC6701 [0,2,0,0,0,0|0,0,0]=2 399 B12R1.267 COCOCC1=C(Br)C=CC=C1 C11531 [0,2,0,0,0,0|1,0,0]=3 400 B12R1.267 ClCCCOC1=C(Br)C=CC=C1 N10153 [0,2,0,0,0,0|2,0,0]=4 401 B12R1.267 NCCCOC1=C(F)C=CC=C1 AC7557 [0,2,0,0,0,0|2,0,0]=4 402 B12R1.267 OCCNCC1=C(F)C=CC=C1 AT15322 [0,2,0,0,0,0|2,0,0]=4 403 B12R1.371 CC1=C(C[C@H](N)CO)C=CC=C1 C78603 [0,2,0,0,0,0|2,0,0]=4 404 B12R1.371 CC1=C(C[C@H](N)CO)C=CC=C1 N11149 [0,2,0,0,0,0|2,0,0]=4 405 B12R1.371 CCC(=O)CC1=C(Br)C=CC=C1 N12602 [0,2,0,0,0,0|1,0,1]=4 406 B12R1.371 CCC(=O)CC1=C(C)C=CC=C1 N14163 [0,2,0,0,0,0|1,0,1]=4 407 B12R1.371 CCC(=O)CC1=C(Cl)C=CC=C1 N14147 [0,2,0,0,0,0|1,0,1]=4 408 B12R1.371 CC[C@H](N)CC1=C(Br)C=CC=C1 N14510 [0,2,0,0,0,0|1,0,0]=3 409 B12R1.371 CC[C@H](N)CC1=C(C)C=CC=C1 N14512 [0,2,0,0,0,0|1,0,0]=3 410 B12R1.371 CC[C@H](N)CC1=C(Cl)C=CC=C1 N14502 [0,2,0,0,0,0|1,0,0]=3 411 B12R1.371 CC[C@H](N)CC1=C(F)C=CC=C1 N14507 [0,2,0,0,0,0|1,0,0]=3 412 B12R1.371 NC[C@@H](N)CC1=C(F)C=CC=C1 N14640 [0,2,0,0,0,0|2,0,0]=4 413 B12R1.371 N[C@H](CO)CC1=C(Br)C=CC=C1 C77829 [0,2,0,0,0,0|2,0,0]=4 414 B12R1.371 N[C@H](CO)CC1=C(Cl)C=CC=C1 N11299 [0,2,0,0,0,0|2,0,0]=4 415 B12R1.371 N[C@H](CO)CC1=C(Cl)C=CC=C1 N11304 [0,2,0,0,0,0|2,0,0]=4 416 B12R1.371 N[C@H](CO)CC1=C(F)C=CC=C1 N11418 [0,2,0,0,0,0|2,0,0]=4 417 B12R1.374 CCOCC1=C(Br)C=CC(F)=C1 N10175 [0,2,0,0,0,0|2,0,0]=4 418 B12R1.374 CCOCC1=C(F)C=CC(Br)=C1 N10200 [0,2,0,0,0,0|2,0,0]=4 419 B12R1.374 FC1=CC(CCCBr)=C(F)C=C1 C77741 [0,2,0,0,0,0|2,0,0]=4 420 B12R1.374 OCCCC1=C(F)C=CC(F)=C1 C78523 [0,2,0,0,0,0|2,0,0]=4 421 B12R1.1631 N#CCCC1=C(Cl)C=CC=C1Cl S10123 [0,2,0,0,0,0|2,0,0]=4 422 B12R1.28 BrCCCCC1=CC=CC(Br)=C1 AT22149 [0,2,0,0,0,0|1,0,0]=3 423 B12R1.28 BrCCCOC1=CC=CC(Br)=C1 97812 [0,2,0,0,0,0|2,0,0]=4 424 B12R1.28 CCCCCC1=CC=CC(=O)O1 T70705 [0,2,0,0,0,0|2,0,0]=4 425 B12R1.28 CCCNCC1=CC(C)=CC=C1 C77940 [0,2,0,0,0,0|1,0,0]=3 426 B12R1.28 CCCNCC1=CC=CC(Br)=C1 C78566 [0,2,0,0,0,0|1,0,0]=3 427 B12R1.28 CCCNCC1=CC=CC(Cl)=C1 C78191 [0,2,0,0,0,0|1,0,0]=3 428 B12R1.28 CCCNCC1=CC=CC(F)=C1 C78563 [0,2,0,0,0,0|1,0,0]=3 429 B12R1.28 COCCNC1=NC=CC(N)=C1 F19660 [0,2,0,0,0,0|2,0,0]=4 430 B12R1.28 ClC1=CC=CC(OCCCBr)=C1 97802 [0,2,0,0,0,0|2,0,0]=4 431 B12R1.28 N#CCCOC1=CC=CC(Br)=C1 F13495 [0,2,0,0,0,0|2,0,0]=4 432 B12R1.28 NC1=CC=CC(OCCCO)=C1 C77805 [0,2,0,0,0,0|2,0,0]=4 433 B12R1.28 OCCCCC1=CC=CC(Br)=C1 AT22147 [0,2,0,0,0,0|1,0,0]=3 434 B12R1.50 CC1=CC=CC(C[C@H](N)CO)=C1 C78461 [0,2,0,0,0,0|2,0,0]=4 435 B12R1.50 CCC(=O)CC1=CC=CC(Br)=C1 N14158 [0,2,0,0,0,0|1,0,1]=4 436 B12R1.50 CCC(=O)CC1=CC=CC(F)=C1 N14137 [0,2,0,0,0,0|1,0,1]=4 437 B12R1.50 CC[C@H](N)CC1=CC(C)=CC=C1 N14536 [0,2,0,0,0,0|1,0,0]=3 438 B12R1.50 CC[C@H](N)CC1=CC=CC(Br)=C1 N14532 [0,2,0,0,0,0|1,0,0]=3 439 B12R1.50 CC[C@H](N)CC1=CC=CC(Cl)=C1 N14527 [0,2,0,0,0,0|1,0,0]=3 440 B12R1.50 CC[C@H](N)CC1=CC=CC(F)=C1 N14524 [0,2,0,0,0,0|1,0,0]=3 441 B12R1.50 CNC(=O)CC1=CC(N)=CC=C1 N10567 [0,2,0,0,0,0|0,0,1]=3 442 B12R1.50 CN[C@@H](C)CC1=CC=CC(F)=C1 N12793 [0,2,0,0,0,0|0,0,0]=2 443 B12R1.50 N[C@H](CO)CC1=CC=CC(Br)=C1 C78100 [0,2,0,0,0,0|2,0,0]=4 444 B12R1.50 N[C@H](CO)CC1=CC=CC(Br)=C1 C78242 [0,2,0,0,0,0|2,0,0]=4 445 B12R1.50 N[C@H](CO)CC1=CC=CC(Cl)=C1 Y11238 [0,2,0,0,0,0|2,0,0]=4 446 B12R1.50 N[C@H](CO)CC1=CC=CC(F)=C1 N11307 [0,2,0,0,0,0|2,0,0]=4 447 B12R1.100 CC1=CC(C)=CC(CCCN)=C1 C77897 [0,2,0,0,0,0|2,0,0]=4 448 B12R1.100 COCOC1=CC(F)=CC(F)=C1 AC6738 [0,2,0,0,0,0|2,0,0]=4 449 B12R1.100 FC1=CC(F)=CC(CCCBr)=C1 C78521 [0,2,0,0,0,0|2,0,0]=4 450 B12R1.100 NCCCC1=CC(F)=CC(F)=C1 C77734 [0,2,0,0,0,0|2,0,0]=4 451 B12R1.100 OCCCC1=CC(F)=CC(F)=C1 C77733 [0,2,0,0,0,0|2,0,0]=4 452 B12R1.226 CC(C)NCC1=CC=CC(Br)=C1 C77759 [0,2,0,0,0,0|2,0,0]=4 453 B12R1.226 CC(C)NCC1=CC=CC(Cl)=C1 C78565 [0,2,0,0,0,0|2,0,0]=4 454 B12R1.226 CC(C)NCC1=CC=CC(F)=C1 C78564 [0,2,0,0,0,0|2,0,0]=4 455 B12R1.226 CC(C)OCC1=CC(N)=CC=C1 F20261 [0,2,0,0,0,0|2,0,0]=4 456 B12R1.226 CC1=CC=CC(CNC(C)C)=C1 C78583 [0,2,0,0,0,0|2,0,0]=4 457 B12R1.226 CC1=CC=CC(OC[C@H](C)N)=C1 F50497 [0,2,0,0,0,0|2,0,0]=4 458 B12R1.226 NC(=O)CCC1=CC=CC(Br)=C1 F20007 [0,2,0,0,0,0|2,0,0]=4 459 B12R1.226 NC(=O)CCC1=CC=CC(Cl)=C1 D87293 [0,2,0,0,0,0|2,0,0]=4 460 B12R1.382 C#CCCC1=CC=CC(C#N)=C1 D85889 [0,2,0,0,0,0|1,0,1]=4 461 B12R1.382 CCNCC1=CC=CC(OC)=C1 F16322 [0,2,0,0,0,0|2,0,0]=4 462 B12R1.382 COC1=CC=CC(CCC=O)=C1 AC6075 [0,2,0,0,0,0|2,0,0]=4 463 B12R1.8 CCCNCCC1=NC=CC=C1 76839 [0,2,0,0,0,0|1,0,0]=3 464 B12R1.8 CNCCCOC1=CC=CC=C1 C77854 [0,2,0,0,0,0|0,0,0]=2 465 B12R1.8 NNCCCOC1=CC=CC=C1 AC4850 [0,2,0,0,0,0|1,0,0]=3 466 B12R1.27 C#CC(=O)CCC1=CC=CC=C1 W16385 [0,2,0,0,0,0|1,0,1]=4 467 B12R1.27 C[C@@H](C=O)OCC1=CC=CC=C1 C10570 [0,2,0,0,0,0|2,0,0]=4 468 B12R1.27 C[C@@H](CO)OCC1=CC=CC=C1 AT22580 [0,2,0,0,0,0|2,0,0]=4 469 B12R1.32 C#CCN(C)CC1=CC=CC=C1 T72610 [0,2,0,0,0,0|1,0,1]=4 470 B12R1.32 CON[C@@H](C)CC1=CC=CC=C1 D79919 [0,2,0,0,0,0|0,0,0]=2 471 B12R1.252 CC(=O)CCCC1=CN=CC=C1 F53170 [0,2,0,0,0,0|2,0,0]=4 472 B12R1.252 CN(C)\C=N\CC1=CC=CC=C1 F53333 [0,2,0,0,0,0|0,0,1]=3 473 B12R1.252 C[C@H](Br)COCC1=CC=CC=C1 C92726 [0,2,0,0,0,0|1,0,0]=3 474 B12R1.252 C[C@H](Br)COCC1=CC=CC=C1 C92727 [0,2,0,0,0,0|1,0,0]=3 475 B12R1.252 C[C@H](O)CCCC1=CN=CC=C1 F53169 [0,2,0,0,0,0|2,0,0]=4 476 B12R1.252 C[C@H](O)CNCC1=CC=CC=C1 AC4615 [0,2,0,0,0,0|1,0,0]=3 477 B12R1.252 C[C@H](O)CNCC1=CC=CC=C1 AT23036 [0,2,0,0,0,0|1,0,0]=3 478 B12R1.252 C[C@H](O)CNCC1=CC=CC=C1 D71911 [0,2,0,0,0,0|1,0,0]=3 479 B12R1.252 NC(=O)CNCC1=CC=CC=C1 F52328 [0,2,0,0,0,0|2,0,0]=4 480 B12R1.43 N[C@H]([13CH2]C1=CC=CC=C1)C(=O)O D99537 [0,2,0,0,0,0|2,0,0]=4 481 B12R1.43 [15NH2][C@@H](CC1=CC=CC=C1)C(=O)O 41399 [0,2,0,0,0,0|2,0,0]=4 482 B12R1.118 CN[C@H](CO)CC1=CC=CC=C1 N12975 [0,2,0,0,0,0|0,0,0]=2 483 B12R1.118 NC[C@@H](CO)CC1=CC=CC=C1 C76076 [0,2,0,0,0,0|2,0,0]=4 484 B12R1.891 O=P(O)(O)CCC1=CC=CC=C1 T72496 [0,2,0,0,0,0|1,1,0]=4 485 B10R2.6 C1=CC(C2CC2)=CC=N1 59829 [1,0,0,1,0,0|1,0,0]=3 486 B10R2.6 C1=CN=C(C2CC2)N=C1 P12514 [1,0,0,1,0,0|2,0,0]=4 487 B10R2.7 C1=CC2=C(C=C1)SCO2 76474 [1,0,0,1,0,0|2,0,0]=4 488 B10R2.7 C1=CC2=C(C=C1)SCS2 D71935 [1,0,0,1,0,0|2,0,0]=4 489 B10R2.7 C1=CN=C2CNCC2=N1 F12463 [1,0,0,1,0,0|2,0,0]=4 490 B10R2.7 C1=CN=C2NCCC2=C1 C13729 [1,0,0,1,0,0|1,0,0]=3 491 B10R2.7 C1=CN=C2NCCC2=N1 P20982 [1,0,0,1,0,0|2,0,0]=4 492 B10R2.7 C1=NC=C2CCNC2=N1 93647 [1,0,0,1,0,0|2,0,0]=4 493 B10R2.7 C1=NC=C2CCNC2=N1 C90715 [1,0,0,1,0,0|2,0,0]=4 494 B10R2.320 N[C@H]1CC2=C1C=CC=C2 AT20398 [1,0,0,1,0,0|0,0,0]=2 495 B10R2.136 C1=CN(C2CNC2)N=C1 C90684 [0,0,0,1,1,0|2,0,0]=4 496 B12R2.24 BrC1=CC2=C(C=C1)CCN=C2 AT22654 [0,1,0,1,0,0|0,0,2]=4 497 B12R2.24 BrC1=NC2=C(C=C1)CNCC2 C13599 [0,1,0,1,0,0|1,0,0]=3 498 B12R2.24 Br[C@H]1CCC2=C(C=CC=C2)C1 F13406 [0,1,0,1,0,0|1,0,0]=3 499 B12R2.24 CC1=CC2=C(C=C1)CNCC2 C15799 [0,1,0,1,0,0|0,0,0]=2 500 B12R2.24 CC1=CC2=C(C=CC=C2)CN1 F12577 [0,1,0,1,0,0|0,0,2]=4 501 B12R2.24 C[C@@H]1CNC2=C(C=CC=C2)C1 F50994 [0,1,0,1,0,0|2,0,0]=4 502 B12R2.24 C[C@H]1CC2=C(C=CC=C2)CN1 12711 [0,1,0,1,0,0|0,0,0]=2 503 B12R2.24 C[C@H]1CC2=C(C=CC=C2)CN1 C74526 [0,1,0,1,0,0|0,0,0]=2 504 B12R2.24 C[C@H]1CSC2=C(C=CC=C2)N1 W10084 [0,1,0,1,0,0|2,0,0]=4 505 B12R2.24 ClC1=CC2=C(C=C1)CCCC2 Y10725 [0,1,0,1,0,0|1,0,0]=3 506 B12R2.24 ClC1=CC2=C(C=C1)COCC2 N14606 [0,1,0,1,0,0|1,0,0]=3 507 B12R2.24 ClC1=CN=C2CCNCC2=C1 D87527 [0,1,0,1,0,0|1,0,0]=3 508 B12R2.24 ClC1=NN=C2CCNCC2=C1 98322 [0,1,0,1,0,0|2,0,0]=4 509 B12R2.24 FC1=CC2=C(C=C1)CCNC2 76409 [0,1,0,1,0,0|0,0,0]=2 510 B12R2.24 FC1=CC2=C(C=C1)COCC2 N14605 [0,1,0,1,0,0|1,0,0]=3 511 B12R2.24 N[C@@H]1COC2=C(C=CC=C2)C1 F20762 [0,1,0,1,0,0|2,0,0]=4 512 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 F13193 [0,1,0,1,0,0|1,0,0]=3 513 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 F18883 [0,1,0,1,0,0|1,0,0]=3 514 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 F18889 [0,1,0,1,0,0|1,0,0]=3 515 B12R2.24 O=C1CC2=C(C=NC=C2)CN1 86461 [0,1,0,1,0,0|1,0,1]=4 516 B12R2.24 O=C1COC2=C(C=CC=C2)C1 F53084 [0,1,0,1,0,0|2,0,0]=4 517 B12R2.24 O[C@H]1CCC2=C(C=CC=N2)C1 D78688 [0,1,0,1,0,0|2,0,0]=4 518 B12R2.79 NC1CC1C2=CC=C(F)C=C2 96610 [0,1,0,1,0,0|2,0,0]=4 519 B12R2.79 NC1CC1C2=CC=C(O)C=C2 AT19453 [0,1,0,1,0,0|2,0,0]=4 520 B12R2.79 NC1CC1C2=CC=C(O)C=C2 D88027 [0,1,0,1,0,0|2,0,0]=4 521 B12R2.79 N[C@H]1C[C@@H]1C2=CC=C(F)C=C2 96593 [0,1,0,1,0,0|2,0,0]=4 522 B12R2.79 N[C@H]1C[C@@H]1C2=CC=C(F)C=C2 E72639 [0,1,0,1,0,0|2,0,0]=4 523 B12R2.79 N[C@H]1C[C@@H]1C2=CC=C(F)C=C2 FD10509 [0,1,0,1,0,0|2,0,0]=4 524 B12R2.132 CC1=CC2=C(C=C1)CC[C@@H]2N N10962 [0,1,0,1,0,0|2,0,0]=4 525 B12R2.132 CC1=CC2=C(C=C1)CC[C@@H]2N W12236 [0,1,0,1,0,0|2,0,0]=4 526 B12R2.132 N[C@H]1CCC2=C1C=C(F)C=C2 F16937 [0,1,0,1,0,0|2,0,0]=4 527 B12R2.132 N[C@H]1CCC2=C1C=C(O)C=C2 41007 [0,1,0,1,0,0|2,0,0]=4 528 B12R2.294 BrC1=CC=C(NC2CC2)C=C1 AT13548 [0,1,0,1,0,0|2,0,0]=4 529 B12R2.294 BrC1=CC=C(SC2CC2)C=C1 AT24051 [0,1,0,1,0,0|2,0,0]=4 530 B12R2.294 FC1=CC=C(OC2CC2)C=C1 AT21306 [0,1,0,1,0,0|2,0,0]=4 531 B12R2.294 NC1=CC=C(OC2CC2)C=C1 AT11984 [0,1,0,1,0,0|2,0,0]=4 532 B12R2.2302 BrC1=CC=C([C@@H]2CCN2)C=C1 AT25319 [0,1,0,1,0,0|2,0,0]=4 533 B12R2.2302 ClC1=CN=C(C2CNC2)N=C1 90171 [0,1,0,1,0,0|2,0,0]=4 534 B12R2.2302 FC1=CC=C([C@@H]2CCN2)C=C1 AT25422 [0,1,0,1,0,0|2,0,0]=4 535 B12R2.2 C1=CC([C@@H]2CCCN2)=CC=N1 CS3573 [0,1,0,1,0,0|2,0,0]=4 536 B12R2.2 C1=CC([C@@H]2CCCN2)=CC=N1 CS3576 [0,1,0,1,0,0|2,0,0]=4 537 B12R2.2 C1=CC=C(C2=CCCC2)C=C1 F14027 [0,1,0,1,0,0|1,0,1]=4 538 B12R2.2 C1=CC=C(C2=CCNC2)C=C1 F52289 [0,1,0,1,0,0|0,0,1]=3 539 B12R2.2 C1=CC=C(C2OCCO2)C=C1 H10024 [0,1,0,1,0,0|2,0,0]=4 540 B12R2.2 C1=CC=C(N2C=CCC2)C=C1 C14865 [0,1,0,1,0,0|1,0,1]=4 541 B12R2.2 C1=CC=C([C@@H]2CCON2)C=C1 E70057 [0,1,0,1,0,0|2,0,0]=4 542 B12R2.2 C1=CN=C(C2CCCC2)C=C1 C91562 [0,1,0,1,0,0|2,0,0]=4 543 B12R2.2 C1=CN=C([C@@H]2CCCN2)C=C1 Y11599 [0,1,0,1,0,0|2,0,0]=4 544 B12R2.2 C1=CN=CC([C@@H]2CCCN2)=C1 N14317 [0,1,0,1,0,0|2,0,0]=4 545 B12R2.2 C1=CN=CC([C@@H]2CCCN2)=C1 Y10529 [0,1,0,1,0,0|2,0,0]=4 546 B12R2.2 C1=CN=CC([C@H]2CCNC2)=C1 27259 [0,1,0,1,0,0|1,0,0]=3 547 B12R2.2 C1=CN=CC([C@H]2CCNC2)=C1 50282 [0,1,0,1,0,0|1,0,0]=3 548 B12R2.22 BrC1CC(C2=CC=CC=C2)C1 AT17150 [0,1,0,1,0,0|1,0,0]=3 549 B12R2.22 NC1CC(C2=CC=CN=C2)C1 F53675 [0,1,0,1,0,0|2,0,0]=4 550 B12R2.22 NC1CN(C2=CC=CC=C2)C1 P20296 [0,1,0,1,0,0|2,0,0]=4 551 B12R2.22 O=C1CC(C2=CN=CC=C2)C1 F53801 [0,1,0,1,0,0|2,0,0]=4 552 B12R2.22 O=C1C[C@@H](C2=CC=CC=C2)N1 76187 [0,1,0,1,0,0|2,0,0]=4 553 B12R2.22 OC1CC(C2=CC=CC=C2)C1 91859 [0,1,0,1,0,0|1,0,0]=3 554 B12R2.27 BrC[C@@H]1C[C@@H]1C2=CC=CC=C2 55233 [0,1,0,1,0,0|1,0,0]=3 555 B12R2.27 BrC[C@H]1C[C@@H]1C2=CC=CC=C2 55239 [0,1,0,1,0,0|1,0,0]=3 556 B12R2.27 O=CC1CC1C2=CC=CC=C2 F52095 [0,1,0,1,0,0|1,0,1]=4 557 B12R2.27 OCC1CC1C2=NC=CC=C2 91729 [0,1,0,1,0,0|2,0,0]=4 558 B12R2.27 OC[C@H]1C[C@@H]1C2=NC=CC=C2 91718 [0,1,0,1,0,0|2,0,0]=4 559 B12R2.116 NC1(C2=CC=CC=C2)CNC1 59782 [0,1,0,1,0,0|0,0,0]=2 560 B12R2.116 NC1(C2=CC=NC=C2)CCC1 F53784 [0,1,0,1,0,0|2,0,0]=4 561 B12R2.116 OC1(C2=CC=CC=C2)CNC1 S11403 [0,1,0,1,0,0|0,0,0]=2 562 B12R2.116 OC1(C2=CN=CC=C2)CCC1 A51224 [0,1,0,1,0,0|2,0,0]=4 563 B12R2.116 OC1(C2=NC=CC=C2)CNC1 N13349 [0,1,0,1,0,0|1,0,0]=3 564 B12R2.1081 C=C1CCCC2=C1C=CC=C2 D87874 [0,1,0,1,0,0|1,0,1]=4 565 B12R2.1081 CC1=C2CNCCC2=NC=N1 C16784 [0,1,0,1,0,0|2,0,0]=4 566 B12R2.1081 CC1=C2CNCCC2=NC=N1 SC2281 [0,1,0,1,0,0|2,0,0]=4 567 B12R2.1081 CC1=CC=CC2=C1CCOC2 N14603 [0,1,0,1,0,0|1,0,0]=3 568 B12R2.1081 C[C@H]1CNCC2=C1C=CC=C2 71815 [0,1,0,1,0,0|0,0,0]=2 569 B12R2.1081 ClC1=C2CCCNC2=CC=C1 N14207 [0,1,0,1,0,0|2,0,0]=4 570 B12R2.1081 ClC1=C2CCNCC2=CC=C1 24212 [0,1,0,1,0,0|0,0,0]=2 571 B12R2.1081 ClC1=C2CCOCC2=CC=C1 N14602 [0,1,0,1,0,0|1,0,0]=3 572 B12R2.1081 ClC1=NC=CC2=C1CCNC2 F53692 [0,1,0,1,0,0|1,0,0]=3 573 B12R2.1081 ClC1=NC=NC2=C1CCNC2 70943 [0,1,0,1,0,0|2,0,0]=4 574 B12R2.1081 ClC1=NC=NC2=C1CCNC2 AC5242 [0,1,0,1,0,0|2,0,0]=4 575 B12R2.1081 ClC1=NC=NC2=C1CNCC2 82104 [0,1,0,1,0,0|2,0,0]=4 576 B12R2.1081 Cl[C@H]1CCCC2=C1C=CC=C2 A11734 [0,1,0,1,0,0|1,0,0]=3 577 B12R2.1081 Cl[C@H]1CCCC2=CC=CN=C21 P16790 [0,1,0,1,0,0|2,0,0]=4 578 B12R2.1081 FC1=C2CCOCC2=CC=C1 N14601 [0,1,0,1,0,0|1,0,0]=3 579 B12R2.1081 NC1=C2CCCCC2=CN=C1 F13768 [0,1,0,1,0,0|2,0,0]=4 580 B12R2.1081 NC1=C2CNCCC2=CC=C1 C10171 [0,1,0,1,0,0|0,0,0]=2 581 B12R2.1081 N[C@H]1CCCC2=C1C=NC=C2 F13769 [0,1,0,1,0,0|2,0,0]=4 582 B12R2.1081 N[C@H]1CCCC2=CC=CN=C21 22992 [0,1,0,1,0,0|2,0,0]=4 583 B12R2.1081 N[C@H]1CSCC2=C1C=CC=C2 SC2891 [0,1,0,1,0,0|1,0,0]=3 584 B12R2.1081 O=C1CNCC2=C1C=CC=C2 F12400 [0,1,0,1,0,0|0,0,1]=3 585 B12R2.1081 O=C1NC=NC2=C1CCNC2 F21479 [0,1,0,1,0,0|2,0,0]=4 586 B12R2.1081 O=C1NCCC2=C1C=CN=C2 D84896 [0,1,0,1,0,0|1,0,1]=4 587 B12R2.1081 O=C1NN=CC2=C1CCNC2 84330 [0,1,0,1,0,0|2,0,0]=4 588 B12R2.1081 OC1=C2CCNCC2=CC=C1 20736 [0,1,0,1,0,0|0,0,0]=2 589 B12R2.1081 OC1=C2CNCCC2=CC=C1 AT24057 [0,1,0,1,0,0|0,0,0]=2 590 B12R2.1081 OC1=C2CNCCC2=CC=C1 C15586 [0,1,0,1,0,0|0,0,0]=2 591 B12R2.1081 OC1=C2OCCCC2=CC=C1 76490 [0,1,0,1,0,0|2,0,0]=4 592 B12R2.1081 OC1=NC=CC2=C1CNCC2 F53632 [0,1,0,1,0,0|1,0,0]=3 593 B12R2.1081 O[C@H]1CCCC2=C1C=CC=N2 90007 [0,1,0,1,0,0|2,0,0]=4 594 B12R2.1081 O[C@H]1CCCC2=CC=CN=C21 AC7539 [0,1,0,1,0,0|2,0,0]=4 595 B12R2.1081 O[C@H]1CNCC2=C1C=CC=C2 95583 [0,1,0,1,0,0|0,0,0]=2 596 B12R2.1081 O[C@H]1CNCC2=C1C=CC=C2 F13197 [0,1,0,1,0,0|0,0,0]=2 597 B12R2.2028 O=C1C[C@H](O)C2=C1C=CC=C2 93243 [0,1,0,1,0,0|2,0,0]=4 598 B12R2.2075 N[C@H](C1=CC=CC=C1)C2CC2 F13978 [0,1,0,1,0,0|1,0,0]=3 599 B12R2.2075 N[C@H](C1=CC=NC=C1)C2CC2 S11230 [0,1,0,1,0,0|2,0,0]=4 600 B12R2.2075 N[C@H](C1=NC=CC=C1)C2CC2 E70146 [0,1,0,1,0,0|2,0,0]=4 601 B12R2.2075 O[C@H](C1=CC=NC=C1)C2CC2 AC5878 [0,1,0,1,0,0|2,0,0]=4 602 B12R2.32 CNC1CC2=C(C=CC=C2)C1 D86972 [0,1,0,1,0,0|0,0,0]=2 603 B12R2.196 CC1=CC=CC2=C1CC[C@@H]2N N10987 [0,1,0,1,0,0|2,0,0]=4 604 B12R2.196 CC1=CC=CC2=C1CC[C@@H]2N N10988 [0,1,0,1,0,0|2,0,0]=4 605 B12R2.196 CC1=CC=CC2=C1CC[C@@H]2N N10989 [0,1,0,1,0,0|2,0,0]=4 606 B12R2.196 CC1=CC=CC2=C1CC[C@@H]2N N12838 [0,1,0,1,0,0|2,0,0]=4 607 B12R2.196 CN1CCC2=C(Br)C=CN=C21 F12668 [0,1,0,1,0,0|1,0,0]=3 608 B12R2.196 CN1CCC2=C1C=CC=C2N AC8036 [0,1,0,1,0,0|0,0,0]=2 609 B12R2.196 N[C@H]1CCC2=C(Cl)C=CC=C21 Y11667 [0,1,0,1,0,0|2,0,0]=4 610 B12R2.196 N[C@H]1CCC2=C(F)C=CC=C21 F16929 [0,1,0,1,0,0|2,0,0]=4 611 B12R2.196 N[C@H]1CCC2=C(F)C=CC=C21 N10489 [0,1,0,1,0,0|2,0,0]=4 612 B12R2.225 BrC1=C(NC2CC2)C=CC=C1 AT17125 [0,1,0,1,0,0|2,0,0]=4 613 B12R2.225 BrC1=C(SC2CC2)C=CC=C1 AT20841 [0,1,0,1,0,0|2,0,0]=4 614 B12R2.225 FC1=C(OC2CC2)C=CC=C1 AT21296 [0,1,0,1,0,0|2,0,0]=4 615 B12R2.225 IC1=C(OC2CC2)C=CC=C1 F53780 [0,1,0,1,0,0|2,0,0]=4 616 B12R2.517 BrC1=C(C2CNC2)C=CC=C1 85614 [0,1,0,1,0,0|0,0,0]=2 617 B12R2.517 ClC1=NC=CN=C1C2CNC2 83847 [0,1,0,1,0,0|2,0,0]=4 618 B12R2.517 FC1=C(C2CNC2)C=CC=C1 85610 [0,1,0,1,0,0|0,0,0]=2 619 B12R2.80 NC1CC1C2=CC=CC(Cl)=C2 D86978 [0,1,0,1,0,0|2,0,0]=4 620 B12R2.80 N[C@H]1C[C@@H]1C2=CC=CC(Cl)=C2 AC1027 [0,1,0,1,0,0|2,0,0]=4 621 B12R2.80 N[C@H]1C[C@@H]1C2=CC=CC(F)=C2 E72638 [0,1,0,1,0,0|2,0,0]=4 622 B12R2.203 CN1C=CC2=CC=CC(N)=C21 N13008 [0,1,0,1,0,0|0,0,2]=4 623 B12R2.203 CN1C=NC2=CC=CC(Cl)=C21 91614 [0,1,0,1,0,0|1,0,1]=4 624 B12R2.203 N[C@H]1CCC2=CC=CC(F)=C21 Y12096 [0,1,0,1,0,0|2,0,0]=4 625 B12R2.612 CC1=CC2=C(C=C1)[C@@H](N)CC2 N10840 [0,1,0,1,0,0|2,0,0]=4 626 B12R2.612 CN1C=CC2=C1C=CC(F)=C2 98405 [0,1,0,1,0,0|0,0,2]=4 627 B12R2.612 ClC1=CC2=C(C=C1)[C@@H](Br)CC2 AT21847 [0,1,0,1,0,0|2,0,0]=4 628 B12R2.612 Cl[C@H]1CCC2=C1C=CC(Br)=C2 O11349 [0,1,0,1,0,0|2,0,0]=4 629 B12R2.612 N[C@H]1CCC2=C1C=CC(F)=C2 69968 [0,1,0,1,0,0|2,0,0]=4 630 B12R2.612 N[C@H]1CCC2=C1C=CC(F)=C2 F16940 [0,1,0,1,0,0|2,0,0]=4 631 B12R2.612 N[C@H]1CCC2=C1C=CC(F)=C2 Y11252 [0,1,0,1,0,0|2,0,0]=4 632 B12R2.612 O=C1CCC2=C1C=CC(S)=C2 79915 [0,1,0,1,0,0|2,0,0]=4 633 B12R2.2313 CC1=CC(C2CNC2)=NC=C1 90168 [0,1,0,1,0,0|1,0,0]=3 634 B12R2.2313 CC1=CC=CC(C2CNC2)=C1 AT15442 [0,1,0,1,0,0|0,0,0]=2 635 B12R2.2313 CC1=CC=CC(C2CNC2)=N1 90170 [0,1,0,1,0,0|1,0,0]=3 636 B12R2.2313 CC1=CC=NC(C2CNC2)=N1 90177 [0,1,0,1,0,0|2,0,0]=4 637 B12R2.2313 NC1=CC(C2CCC2)=NC=C1 F52581 [0,1,0,1,0,0|2,0,0]=4 638 B12R2.2313 OC1=CC(C2CCC2)=CC=C1 97837 [0,1,0,1,0,0|1,0,0]=3 639 B12R2.1 CN[C@H]1CCC2=C1C=CC=C2 AT22267 [0,1,0,1,0,0|0,0,0]=2 640 B12R2.1 N#C[C@H]1CCC2=C1C=CC=C2 81813 [0,1,0,1,0,0|1,0,1]=4 641 B12R2.1 NC[C@H]1CCC2=C1C=CC=C2 20176 [0,1,0,1,0,0|1,0,0]=3 642 B12R2.1 NC[C@H]1CCC2=CC=CN=C21 C77541 [0,1,0,1,0,0|2,0,0]=4 643 B12R2.1 NC[C@H]1CNC2=C1C=CC=C2 AC7339 [0,1,0,1,0,0|2,0,0]=4 644 B12R2.1 O=C[C@@H]1CCC2=C1C=CC=C2 D78606 [0,1,0,1,0,0|1,0,1]=4 645 B12R2.1 OC[C@H]1CCC2=C1C=CC=C2 AC3163 [0,1,0,1,0,0|1,0,0]=3 646 B12R2.2057 C1=CC(CNC2CC2)=CC=N1 AC5083 [0,1,0,1,0,0|2,0,0]=4 647 B12R2.2058 C1=CC(OC2CNC2)=CC=N1 88528 [0,1,0,1,0,0|1,0,0]=3 648 B12R2.2058 C1=CN=C(OC2CNC2)C=C1 88530 [0,1,0,1,0,0|1,0,0]=3 649 B12R2.2058 C1=CN=C(OC2CNC2)N=C1 AT18236 [0,1,0,1,0,0|2,0,0]=4 650 B12R2.18 CN1C(Br)=CC2=C1C=CC=C2 AC7141 [0,1,0,1,0,0|0,0,2]=4 651 B12R2.18 CN1C(I)=CC2=C1C=CC=C2 Y10946 [0,1,0,1,0,0|0,0,2]=4 652 B12R2.18 CN1C(N)=CC2=C1C=CC=C2 64263 [0,1,0,1,0,0|0,0,2]=4 653 B12R2.18 N[C@H]1CC2=C(C=CC=C2)C1=O 66097 [0,1,0,1,0,0|2,0,0]=4 654 B12R2.94 NC1(CC2=CC=CC=C2)CC1 D74695 [0,1,0,1,0,0|1,0,0]=3 655 B12R3.12 C1=CC2=C(C=C1)C3OC3C2 F51253 [0,0,0,2,0,0|1,0,0]=3 656 B8R1.8 BrCCC1=CC=CS1 F20027 [1,0,0,0,1,0|2,0,0]=4 657 B8R1.8 CNCC1=CC=NN1 27042 [1,0,0,0,1,0|2,0,0]=4 658 B8R1.8 CNCC1=CC=NN1 AT10969 [1,0,0,0,1,0|2,0,0]=4 659 B8R1.8 CNCC1=CN=CS1 71400 [1,0,0,0,1,0|2,0,0]=4 660 B8R1.8 CNCC1=CSC=C1 AT16803 [1,0,0,0,1,0|1,0,0]=3 661 B8R1.8 CNCC1=CSC=N1 AT10976 [1,0,0,0,1,0|2,0,0]=4 662 B8R1.8 CNCC1=CSC=N1 AT14743 [1,0,0,0,1,0|2,0,0]=4 663 B8R1.8 CNCC1=NC=CN1 W10149 [1,0,0,0,1,0|2,0,0]=4 664 B8R1.8 CNCC1=NC=CS1 AT10974 [1,0,0,0,1,0|2,0,0]=4 665 B8R1.8 CNCC1=NNC=C1 F31265 [1,0,0,0,1,0|2,0,0]=4 666 B8R1.8 CNCC1=NOC=C1 AT10962 [1,0,0,0,1,0|2,0,0]=4 667 B8R1.8 NCCC1=CN=CN1 S10979 [1,0,0,0,1,0|2,0,0]=4 668 B8R1.8 NCCC1=CNN=C1 AC1363 [1,0,0,0,1,0|2,0,0]=4 669 B8R1.8 NCCC1=CNN=C1 D85886 [1,0,0,0,1,0|2,0,0]=4 670 B8R1.8 NCCC1=COC=N1 AT18667 [1,0,0,0,1,0|2,0,0]=4 671 B8R1.8 NCCC1=NC=CS1 F51904 [1,0,0,0,1,0|2,0,0]=4 672 B8R1.8 NCCC1=NNC=C1 AC2815 [1,0,0,0,1,0|2,0,0]=4 673 B8R1.8 NCCN1C=CC=N1 AT10968 [1,0,0,0,1,0|2,0,0]=4 674 B8R1.8 NNCC1=CC=CS1 P10519 [1,0,0,0,1,0|2,0,0]=4 675 B8R1.8 NNCC1=CSC=C1 P10771 [1,0,0,0,1,0|2,0,0]=4