0 B9R1.12 BrCCCN1C=CN=N1 AC4640 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.12 BrCCCN1C=NC=N1 AC9760 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.12 CNCCC1=CC=CS1 AT16732 [0,0,0,0,0,0|1,1,0]=2 3 B9R1.12 CNCCC1=CN=CN1 D86292 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.12 CNCCN1C=NC=N1 D76610 [0,0,0,0,0,0|4,0,0]=4 5 B9R1.12 ClCCCN1C=CN=C1 C75518 [0,0,0,0,0,0|4,0,0]=4 6 B9R1.12 ICCCC1=CC=CS1 AC6959 [0,0,0,0,0,0|1,1,0]=2 7 B9R1.12 N#CCCC1=CNC=N1 AT26027 [0,0,0,0,0,0|3,0,1]=4 8 B9R1.12 NCCCC1=NC=CN1 F10426 [0,0,0,0,0,0|3,0,0]=3 9 B9R1.12 NCCCC1=NN=CS1 AT18988 [0,0,0,0,0,0|3,1,0]=4 10 B9R1.12 NCCCN1C=CN=N1 74891 [0,0,0,0,0,0|4,0,0]=4 11 B9R1.12 NCCCN1C=NC=N1 AT12359 [0,0,0,0,0,0|4,0,0]=4 12 B9R1.12 NCCCN1N=CC=N1 74610 [0,0,0,0,0,0|4,0,0]=4 13 B9R1.12 O=CCCN1C=CC=N1 H11819 [0,0,0,0,0,0|3,0,1]=4 14 B9R1.12 OCCCC1=CON=C1 C14065 [0,0,0,0,0,0|4,0,0]=4 15 B9R1.12 OCCNC1=NC=CS1 AT14889 [0,0,0,0,0,0|3,1,0]=4 16 B8R1.8 BrCCC1=CC=CS1 F20027 [1,0,0,0,0,0|1,1,0]=3 17 B8R1.8 CCCC1=NCCO1 T72500 [1,0,0,0,0,0|1,0,2]=4 18 B8R1.8 CCNC1=NN=CO1 AT18792 [1,0,0,0,0,0|3,0,0]=4 19 B8R1.8 CNCC1=CC=NN1 27042 [1,0,0,0,0,0|3,0,0]=4 20 B8R1.8 CNCC1=CC=NN1 AT10969 [1,0,0,0,0,0|3,0,0]=4 21 B8R1.8 CNCC1=CN=CS1 71400 [1,0,0,0,0,0|2,1,0]=4 22 B8R1.8 CNCC1=CSC=C1 AT16803 [1,0,0,0,0,0|3,0,0]=4 23 B8R1.8 CNCC1=CSC=N1 AT10976 [1,0,0,0,0,0|3,0,0]=4 24 B8R1.8 CNCC1=CSC=N1 AT14743 [1,0,0,0,0,0|3,0,0]=4 25 B8R1.8 CNCC1=NC=CN1 W10149 [1,0,0,0,0,0|3,0,0]=4 26 B8R1.8 CNCC1=NC=CS1 AT10974 [1,0,0,0,0,0|2,1,0]=4 27 B8R1.8 CNCC1=NNC=C1 F31265 [1,0,0,0,0,0|3,0,0]=4 28 B8R1.8 CNCC1=NOC=C1 AT10962 [1,0,0,0,0,0|3,0,0]=4 29 B8R1.8 COCC1=NC=CN1 P10070 [1,0,0,0,0,0|3,0,0]=4 30 B8R1.8 ClCCC1=CNC=N1 D82567 [1,0,0,0,0,0|3,0,0]=4 31 B8R1.8 N#CCC1=CC=NO1 AC6956 [1,0,0,0,0,0|2,0,1]=4 32 B8R1.8 NCCC1=CN=CN1 S10979 [1,0,0,0,0,0|3,0,0]=4 33 B8R1.8 NCCC1=COC=N1 AT18667 [1,0,0,0,0,0|3,0,0]=4 34 B8R1.8 NCCC1=NC=CS1 F51904 [1,0,0,0,0,0|2,1,0]=4 35 B8R1.8 NCCC1=NNC=C1 AC2815 [1,0,0,0,0,0|3,0,0]=4 36 B8R1.8 NCCN1C=CC=N1 AT10968 [1,0,0,0,0,0|3,0,0]=4 37 B8R1.8 NNCC1=CC=CS1 P10519 [1,0,0,0,0,0|2,1,0]=4 38 B8R1.8 O=CCC1=CC=CS1 O10539 [1,0,0,0,0,0|1,1,1]=4 39 B10R1.11 C=CC[C@H](N)C1=CC=CO1 N16704 [0,1,0,0,0,0|0,0,2]=3 40 B10R1.11 C=CC[C@H](N)C1=CC=CO1 N16705 [0,1,0,0,0,0|0,0,2]=3 41 B10R1.11 CCCC(=O)C1=CC=CO1 N14287 [0,1,0,0,0,0|0,0,1]=2 42 B10R1.11 CCC[C@H](N)C1=CC=CO1 N16695 [0,1,0,0,0,0|0,0,0]=1 43 B10R1.11 CCC[C@H](N)C1=CC=CO1 N16696 [0,1,0,0,0,0|0,0,0]=1 44 B10R1.11 CCC[C@H](N)C1=CC=CO1 N16697 [0,1,0,0,0,0|0,0,0]=1 45 B10R1.11 CCC[C@H](N)C1=CC=CS1 Y14857 [0,1,0,0,0,0|0,1,0]=2 46 B10R1.11 CCC[C@H](N)C1=COC=C1 N16726 [0,1,0,0,0,0|2,0,0]=3 47 B10R1.11 CCC[C@H](N)C1=COC=C1 N16727 [0,1,0,0,0,0|2,0,0]=3 48 B10R1.11 CCC[C@H](N)C1=COC=C1 N16728 [0,1,0,0,0,0|2,0,0]=3 49 B10R1.11 COCC(=O)C1=CC=CO1 AT17460 [0,1,0,0,0,0|1,0,1]=3 50 B10R1.11 N[C@@H](CCO)C1=CC=CO1 N13126 [0,1,0,0,0,0|1,0,0]=2 51 B10R1.11 N[C@@H](CCO)C1=CC=CO1 N16710 [0,1,0,0,0,0|1,0,0]=2 52 B10R1.11 N[C@@H](CCO)C1=CC=CO1 N16711 [0,1,0,0,0,0|1,0,0]=2 53 B10R1.11 N[C@@H](CCO)C1=CC=CS1 N12967 [0,1,0,0,0,0|1,1,0]=3 54 B10R1.11 N[C@@H](CCO)C1=NC=CS1 N14689 [0,1,0,0,0,0|2,1,0]=4 55 B10R1.11 N[C@@H](CCO)C1=NC=CS1 N14690 [0,1,0,0,0,0|2,1,0]=4 56 B10R1.11 N[C@@H](CCO)C1=NC=CS1 N14691 [0,1,0,0,0,0|2,1,0]=4 57 B10R1.11 O=C(CCCl)C1=CC=CS1 D76604 [0,1,0,0,0,0|1,1,1]=4 58 B10R1.16 CC1=CC=C(CCCN)S1 W12103 [0,1,0,0,0,0|1,1,0]=3 59 B10R1.16 CC1=CN=C(CCCN)N1 F17811 [0,1,0,0,0,0|3,0,0]=4 60 B10R1.16 CC1=NOC(CCCCl)=C1 F30371 [0,1,0,0,0,0|2,0,0]=3 61 B10R1.16 COCCC1=CC(N)=NO1 AT19801 [0,1,0,0,0,0|2,0,0]=3 62 B10R1.16 COCCC1=NOC(N)=C1 AT19823 [0,1,0,0,0,0|3,0,0]=4 63 B10R1.16 COCCN1C=CC(N)=N1 AT15766 [0,1,0,0,0,0|3,0,0]=4 64 B10R1.21 BrCCCCN1C=CN=N1 AC4803 [0,1,0,0,0,0|3,0,0]=4 65 B10R1.21 BrCCCCN1C=NC=N1 AC2906 [0,1,0,0,0,0|3,0,0]=4 66 B10R1.21 CCCCCN1C=CN=C1 AC5153 [0,1,0,0,0,0|3,0,0]=4 67 B10R1.21 CNCCCN1C=CN=C1 72851 [0,1,0,0,0,0|3,0,0]=4 68 B10R1.21 OCCNCC1=CC=CO1 F16080 [0,1,0,0,0,0|1,0,0]=2 69 B10R1.27 COC(=O)CC1=CC=CN1 AB10301 [0,1,0,0,0,0|2,0,1]=4 70 B10R1.27 NC[C@H](O)CN1C=CC=N1 AT15769 [0,1,0,0,0,0|3,0,0]=4 71 B10R1.29 COCCN1N=CC=C1N AC1214 [0,1,0,0,0,0|3,0,0]=4 72 B10R1.66 CN(C)CCC1=NC=CN1 AC8612 [0,1,0,0,0,0|3,0,0]=4 73 B10R2.5 N[C@H]1C[C@@H]1C2=CSC=C2 AT16875 [0,0,0,1,0,0|3,0,0]=4 74 B10R2.7 C1=CC2=C(CNCC2)S1 P10653 [0,0,0,1,0,0|1,1,0]=3 75 B10R2.7 C1=CN2CCNCC2=N1 SC1921 [0,0,0,1,0,0|3,0,0]=4 76 B10R2.7 C1=CN2CCOCC2=N1 AT23936 [0,0,0,1,0,0|3,0,0]=4 77 B10R2.7 C1=NC=C2COCCN12 D87029 [0,0,0,1,0,0|3,0,0]=4 78 B10R2.7 C1=NN2CCCOC2=C1 56811 [0,0,0,1,0,0|3,0,0]=4 79 B10R2.7 C1=NNC2=C1CCNC2 D87574 [0,0,0,1,0,0|3,0,0]=4 80 B10R2.7 C1=NNC2=C1CCOC2 C91620 [0,0,0,1,0,0|3,0,0]=4 81 B10R2.7 C1=NNC2=C1NCCC2 AC5130 [0,0,0,1,0,0|3,0,0]=4 82 B10R2.136 C1=CN(C2CNC2)N=C1 C90684 [0,0,0,1,0,0|3,0,0]=4 83 B10R2.136 C1=NC(C2CCC2)=NN1 AT12513 [0,0,0,1,0,0|3,0,0]=4 84 B10R1.17 BrCCSC1=CC=NC=C1 AT18153 [0,0,0,0,0,1|3,0,0]=4 85 B10R1.17 CCCCC1=CC=CN=N1 O10974 [0,0,0,0,0,1|1,0,0]=2 86 B10R1.17 CNCCC1=CC=CN=C1 C73747 [0,0,0,0,0,1|2,0,0]=3 87 B10R1.17 CNCCC1=CC=NC=C1 AR1715 [0,0,0,0,0,1|2,0,0]=3 88 B10R1.17 CNNCC1=NC=CC=C1 30190 [0,0,0,0,0,1|3,0,0]=4 89 B10R1.17 FCCNC1=CC=CC=C1 D77931 [0,0,0,0,0,1|3,0,0]=4 90 B10R1.17 NCCNC1=NC=CC=C1 O12009 [0,0,0,0,0,1|3,0,0]=4 91 B10R1.17 NCCNC1=NC=CC=N1 AT18241 [0,0,0,0,0,1|3,0,0]=4 92 B10R1.17 NCCOC1=NC=CC=N1 AT18221 [0,0,0,0,0,1|3,0,0]=4 93 B10R1.17 NNCCC1=CC=CC=C1 AC4670 [0,0,0,0,0,1|3,0,0]=4 94 B10R1.17 NOCCC1=CC=CC=C1 C10179 [0,0,0,0,0,1|3,0,0]=4 95 B10R1.17 O=CCCC1=NC=CC=C1 P20552 [0,0,0,0,0,1|2,0,1]=4 96 B10R1.17 OCCCC1=CCC=CC1 72320 [0,0,0,0,0,1|2,0,0]=3 97 B10R1.17 OCCCC1=CN=CC=C1 AC5531 [0,0,0,0,0,1|2,0,0]=3 98 B10R1.17 OCCNC1=NC=CC=N1 AT18240 [0,0,0,0,0,1|3,0,0]=4 99 B10R1.17 OCCOC1=NC=CC=C1 C90307 [0,0,0,0,0,1|3,0,0]=4 100 B10R1.17 SCCCC1=CN=CC=C1 F18019 [0,0,0,0,0,1|2,0,0]=3 101 B10R1.17 SCCCC1=NC=CC=C1 F18728 [0,0,0,0,0,1|2,0,0]=3 102 B7R0.1 C=CC\C=C\CCC T72633 [1,0,1,0,0,0|0,0,2]=4 103 B7R0.1 C\C=C/CCCCC T72919 [1,0,1,0,0,0|0,0,2]=4 104 B7R1.1 CCC1=CN=CO1 C77473 [2,0,0,0,0,0|1,0,0]=3 105 B7R1.1 CCC1=COC=N1 C77618 [2,0,0,0,0,0|2,0,0]=4 106 B7R1.1 OCC1=CC=CN1 AT16114 [2,0,0,0,0,0|2,0,0]=4 107 B7R1.1 SCC1=CC=CS1 T72725 [2,0,0,0,0,0|1,1,0]=4 108 B9R1.7 CC1=CC=C(CCN)S1 31616 [1,1,0,0,0,0|1,1,0]=4 109 B9R1.7 CC1=CSC(CCN)=C1 96997 [1,1,0,0,0,0|1,1,0]=4 110 B9R1.7 CCCC1=CC(=O)NO1 AC2645 [1,1,0,0,0,0|1,0,0]=3 111 B9R1.7 CCCC1=COC(Br)=N1 AT18459 [1,1,0,0,0,0|2,0,0]=4 112 B9R1.7 CCCC1=NN=C(S)O1 AT18828 [1,1,0,0,0,0|2,0,0]=4 113 B9R1.7 CCCN1C=CC(O)=N1 AC6302 [1,1,0,0,0,0|2,0,0]=4 114 B9R1.7 CNCC1=CC(C)=NO1 C15741 [1,1,0,0,0,0|2,0,0]=4 115 B9R1.7 CNCC1=CC=C(C)S1 75578 [1,1,0,0,0,0|1,1,0]=4 116 B9R1.11 C=C[C@H](N)C1=CC=CO1 N16701 [1,1,0,0,0,0|0,0,2]=4 117 B9R1.11 C=C[C@H](N)C1=CC=CO1 N16702 [1,1,0,0,0,0|0,0,2]=4 118 B9R1.11 C=C[C@H](N)C1=CC=CO1 N16703 [1,1,0,0,0,0|0,0,2]=4 119 B9R1.11 CC[C@H](N)C1=COC=C1 N16720 [1,1,0,0,0,0|2,0,0]=4 120 B9R1.11 CC[C@H](N)C1=COC=C1 N16721 [1,1,0,0,0,0|2,0,0]=4 121 B9R1.11 CC[C@H](N)C1=COC=C1 N16722 [1,1,0,0,0,0|2,0,0]=4 122 B9R1.11 CC[C@H](N)C1=CSC=N1 N14434 [1,1,0,0,0,0|2,0,0]=4 123 B9R1.11 CC[C@H](N)C1=NC=CS1 N14679 [1,1,0,0,0,0|1,1,0]=4 124 B9R1.11 CC[C@H](N)C1=NC=CS1 N14680 [1,1,0,0,0,0|1,1,0]=4 125 B9R1.11 N[C@@H](CO)C1=CC=CO1 C78116 [1,1,0,0,0,0|1,0,0]=3 126 B9R1.13 C[C@H](N)CC1=COC=C1 89732 [1,1,0,0,0,0|2,0,0]=4 127 B9R1.13 C[C@H](N)CC1=COC=C1 89733 [1,1,0,0,0,0|2,0,0]=4 128 B9R1.13 C[C@H](N)CC1=COC=C1 89734 [1,1,0,0,0,0|2,0,0]=4 129 B9R1.13 C[C@H](N)CC1=CSC=C1 89730 [1,1,0,0,0,0|2,0,0]=4 130 B9R1.13 C[C@H](N)CC1=NNC=C1 I11135 [1,1,0,0,0,0|2,0,0]=4 131 B9R1.13 C[C@H](O)CC1=CC=CO1 W11911 [1,1,0,0,0,0|0,0,0]=2 132 B9R1.13 C[C@H](O)CC1=CSC=C1 58210 [1,1,0,0,0,0|2,0,0]=4 133 B9R1.13 C[C@H](O)CC1=CSC=C1 58214 [1,1,0,0,0,0|2,0,0]=4 134 B9R1.13 C[C@H](O)CC1=CSC=C1 58218 [1,1,0,0,0,0|2,0,0]=4 135 B9R1.33 CCOC1=C(C)C=CS1 91672 [1,1,0,0,0,0|1,1,0]=4 136 B11R1.1 CC1=CC=C(CCCN)C=C1 C78299 [0,1,0,0,0,1|2,0,0]=4 137 B11R1.1 CNCCC1=CC=C(Br)C=C1 C78422 [0,1,0,0,0,1|2,0,0]=4 138 B11R1.1 CNCCC1=CC=C(C)C=C1 C78074 [0,1,0,0,0,1|2,0,0]=4 139 B11R1.1 CNCCC1=NC=C(Br)C=N1 AT18381 [0,1,0,0,0,1|2,0,0]=4 140 B11R1.1 COCCC1=CC=C(Br)C=C1 28244 [0,1,0,0,0,1|2,0,0]=4 141 B11R1.1 COCCC1=CC=C(N)C=C1 F11764 [0,1,0,0,0,1|2,0,0]=4 142 B11R1.1 ClC1=CC=C(CCCBr)C=C1 S11935 [0,1,0,0,0,1|2,0,0]=4 143 B11R1.1 NCCCC1=CC=C(N)C=C1 C78351 [0,1,0,0,0,1|2,0,0]=4 144 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 N12265 [0,1,0,0,0,1|1,0,0]=3 145 B11R1.16 CNC[C@H](C)C1=CC=CC=C1 C11240 [0,1,0,0,0,1|2,0,0]=4 146 B11R1.16 CNC[C@H](O)C1=CC=CC=C1 C11214 [0,1,0,0,0,1|2,0,0]=4 147 B11R1.16 COC[C@H](N)C1=CC=CC=C1 AC6537 [0,1,0,0,0,1|2,0,0]=4 148 B11R1.16 NCC[C@H](N)C1=CC=CC=C1 N14729 [0,1,0,0,0,1|2,0,0]=4 149 B11R1.16 NCC[C@H](N)C1=CC=CC=C1 N14730 [0,1,0,0,0,1|2,0,0]=4 150 B11R1.16 OCC[C@H](O)C1=CC=CC=C1 C80043 [0,1,0,0,0,1|2,0,0]=4 151 B11R1.17 BrCCCC1=C(Br)C=CC=C1 C77748 [0,1,0,0,0,1|2,0,0]=4 152 B11R1.17 CC1=CC=CN=C1CCCN W10139 [0,1,0,0,0,1|2,0,0]=4 153 B11R1.17 CCCOC1=C(N)C=CC=C1 AC7746 [0,1,0,0,0,1|2,0,0]=4 154 B11R1.17 CCNCC1=C(Cl)C=CC=C1 C16114 [0,1,0,0,0,1|2,0,0]=4 155 B11R1.17 CNCCC1=C(C)C=CC=C1 C78447 [0,1,0,0,0,1|2,0,0]=4 156 B11R1.17 CNCCC1=C(Cl)C=CC=C1 C78279 [0,1,0,0,0,1|2,0,0]=4 157 B11R1.17 ClC1=C(CCCBr)C=CC=C1 C78298 [0,1,0,0,0,1|2,0,0]=4 158 B11R1.17 NCCCC1=C(Cl)C=CC=C1 C78000 [0,1,0,0,0,1|2,0,0]=4 159 B11R1.17 NCCCC1=C(F)C=CC=C1 F20045 [0,1,0,0,0,1|2,0,0]=4 160 B11R1.17 OCCCC1=C(O)C=CC=N1 85302 [0,1,0,0,0,1|2,0,0]=4 161 B11R1.24 BrCCCC1=CC=CC(Br)=C1 C77758 [0,1,0,0,0,1|2,0,0]=4 162 B11R1.24 CC1=CC(CCCN)=NC=C1 W10140 [0,1,0,0,0,1|2,0,0]=4 163 B11R1.24 CCCC[N+]1=CC(C)=CC=C1 C93515 [0,1,0,0,0,1|2,0,0]=4 164 B11R1.24 CCNCC1=CC(Br)=CN=C1 F19801 [0,1,0,0,0,1|2,0,0]=4 165 B11R1.24 CCOCC1=CC=CC(Br)=C1 F17773 [0,1,0,0,0,1|2,0,0]=4 166 B11R1.24 CNCCC1=CC=CC(Br)=C1 C78466 [0,1,0,0,0,1|2,0,0]=4 167 B11R1.24 COCCC1=CC(N)=NC=C1 AT18204 [0,1,0,0,0,1|2,0,0]=4 168 B11R1.24 ClC1=CC=CC(CCCBr)=C1 C78574 [0,1,0,0,0,1|2,0,0]=4 169 B11R1.24 NC1=CC(CCCO)=NC=C1 AC5942 [0,1,0,0,0,1|2,0,0]=4 170 B11R1.24 NCCCC1=CC=CC(F)=C1 97619 [0,1,0,0,0,1|2,0,0]=4 171 B11R1.24 NCCCC1=CC=CC(N)=C1 C78147 [0,1,0,0,0,1|2,0,0]=4 172 B11R1.24 NCCCC1=CC=CC(O)=C1 C78310 [0,1,0,0,0,1|2,0,0]=4 173 B11R1.28 CCCCNC1=CC=NC=C1 F21501 [0,1,0,0,0,1|1,0,0]=3 174 B11R1.28 CCNCCC1=CC=CC=C1 AC5622 [0,1,0,0,0,1|1,0,0]=3 175 B11R1.28 OCCCCC1=CC=NC=C1 31475 [0,1,0,0,0,1|1,0,0]=3 176 B11R1.40 CC[C@H](N)CC1=CC=CC=C1 74053 [0,1,0,0,0,1|1,0,0]=3 177 B11R1.40 NC[C@@H](N)CC1=CC=CC=C1 N14383 [0,1,0,0,0,1|2,0,0]=4 178 B11R1.40 NC[C@@H](N)CC1=CC=CC=C1 N14384 [0,1,0,0,0,1|2,0,0]=4 179 B11R1.40 NC[C@@H](N)CC1=CC=CC=C1 N14385 [0,1,0,0,0,1|2,0,0]=4 180 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 C78372 [0,1,0,0,0,1|2,0,0]=4 181 B11R1.91 CC(=O)CCC1=CC=NC=C1 AT24518 [0,1,0,0,0,1|1,0,1]=4 182 B11R1.91 CC(C)NCC1=CC=CN=C1 AC5151 [0,1,0,0,0,1|2,0,0]=4 183 B11R1.91 CC(C)NCC1=CC=NC=C1 AC6648 [0,1,0,0,0,1|2,0,0]=4 184 B11R1.91 C[C@H](N)COC1=CC=CC=C1 N12753 [0,1,0,0,0,1|2,0,0]=4 185 B11R1.91 C[C@H](N)COC1=CC=CC=C1 N12763 [0,1,0,0,0,1|2,0,0]=4 186 B11R1.91 C[C@H](N)CSC1=CC=CC=C1 AT26670 [0,1,0,0,0,1|2,0,0]=4 187 B11R1.15 C=CC[C@H](N)C1=CC=C(C)O1 N16768 [0,2,0,0,0,0|0,0,2]=4 188 B11R1.15 C=CC[C@H](N)C1=CC=C(C)O1 N16769 [0,2,0,0,0,0|0,0,2]=4 189 B11R1.15 C=CC[C@H](N)C1=CC=C(C)O1 N16770 [0,2,0,0,0,0|0,0,2]=4 190 B11R1.15 CC1=CC=C([C@@H](N)CCO)O1 N16777 [0,2,0,0,0,0|1,0,0]=3 191 B11R1.15 CC1=CC=C([C@@H](N)CCO)O1 N16778 [0,2,0,0,0,0|1,0,0]=3 192 B11R1.15 CC1=CC=C([C@@H](N)CCO)O1 N16779 [0,2,0,0,0,0|1,0,0]=3 193 B11R1.15 CCCC(=O)C1=CC=C(Cl)S1 L10051 [0,2,0,0,0,0|0,1,1]=4 194 B11R1.15 CCC[C@H](N)C1=CC=C(C)O1 N16750 [0,2,0,0,0,0|0,0,0]=2 195 B11R1.15 CCC[C@H](N)C1=CC=C(C)O1 N16751 [0,2,0,0,0,0|0,0,0]=2 196 B11R1.15 CCC[C@H](N)C1=CC=C(C)O1 N16752 [0,2,0,0,0,0|0,0,0]=2 197 B11R1.15 N[C@@H](CCO)C1=CC=C(Br)O1 N14884 [0,2,0,0,0,0|1,0,0]=3 198 B11R1.15 N[C@@H](CCO)C1=CC=C(Br)O1 N14885 [0,2,0,0,0,0|1,0,0]=3 199 B11R1.29 CCCCC(=O)C1=CC=CO1 N14288 [0,2,0,0,0,0|0,0,0]=2 200 B11R1.29 CCCC[C@H](N)C1=CC=CO1 N16698 [0,2,0,0,0,0|0,0,0]=2 201 B11R1.29 CCCC[C@H](N)C1=CC=CO1 N16699 [0,2,0,0,0,0|0,0,0]=2 202 B11R1.29 CCCC[C@H](N)C1=CC=CO1 N16700 [0,2,0,0,0,0|0,0,0]=2 203 B11R1.29 CCCC[C@H](N)C1=COC=C1 N16729 [0,2,0,0,0,0|2,0,0]=4 204 B11R1.29 CCCC[C@H](N)C1=COC=C1 N16730 [0,2,0,0,0,0|2,0,0]=4 205 B11R1.29 CCCC[C@H](N)C1=COC=C1 N16731 [0,2,0,0,0,0|2,0,0]=4 206 B11R1.29 NCCNC(=O)C1=CC=CO1 F21147 [0,2,0,0,0,0|1,0,1]=4 207 B11R1.33 C#CC[C@](C)(O)C1=CC=CO1 AC7501 [0,2,0,0,0,0|0,0,2]=4 208 B11R1.77 N[C@@H](CC(=O)O)C1=CC=CO1 D76619 [0,2,0,0,0,0|1,0,1]=4 209 B11R1.77 N[C@@H](CC(=O)O)C1=CC=CO1 N12538 [0,2,0,0,0,0|1,0,1]=4 210 B11R1.77 N[C@@H](CC(=O)O)C1=CC=CO1 N12564 [0,2,0,0,0,0|1,0,1]=4 211 B11R1.77 O=[N+]([O-])C[C@H](O)C1=CC=CO1 AC6290 [0,2,0,0,0,0|2,0,0]=4 212 B11R1.27 CC1=CC=C(CNCCO)S1 F16386 [0,2,0,0,0,0|1,1,0]=4 213 B11R1.4 CCCCOCC1=CC=CO1 S11931 [0,2,0,0,0,0|0,0,0]=2 214 B11R1.25 COC(=O)CCC1=CC=CS1 C91137 [0,2,0,0,0,0|0,1,1]=4 215 B11R1.25 NCC(=O)NCC1=CC=CO1 F21191 [0,2,0,0,0,0|1,0,1]=4 216 B11R1.30 CCOC(=O)CC1=CC=CN1 P11574 [0,2,0,0,0,0|1,0,1]=4 217 B11R1.172 O=C(O)CNCC1=CC=CO1 W15238 [0,2,0,0,0,0|1,0,1]=4 218 B11R1.35 C[C@@H](CC1=CC=CO1)C(=O)O W18641 [0,2,0,0,0,0|1,0,1]=4 219 B11R1.35 N[C@@H](CC1=CC=CO1)C(=O)O A50248 [0,2,0,0,0,0|1,0,1]=4 220 B9R2.2 C1=CSC(C2CC2)=N1 95281 [1,0,0,1,0,0|1,1,0]=4 221 B9R2.2 C1=NC(C2CC2)=CN1 70406 [1,0,0,1,0,0|2,0,0]=4 222 B9R2.3 C1=CC2=C(CNC2)O1 91178 [1,0,0,1,0,0|1,0,0]=3 223 B11R2.1 C[C@@H]1NCC2=NC=NC=C21 82267 [0,0,0,1,0,1|2,0,0]=4 224 B11R2.1 C[C@H]1CNC2=C1C=CC=C2 W18948 [0,0,0,1,0,1|2,0,0]=4 225 B11R2.1 N[C@H]1CCC2=C1C=CC=C2 41003 [0,0,0,1,0,1|2,0,0]=4 226 B11R2.1 N[C@H]1CCC2=CC=CN=C21 D81362 [0,0,0,1,0,1|2,0,0]=4 227 B11R2.1 N[C@H]1CCC2=NC=CC=C21 D79496 [0,0,0,1,0,1|2,0,0]=4 228 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 C14923 [0,0,0,1,0,1|2,0,0]=4 229 B11R2.20 C1=CN=C2CNCCC2=C1 P10652 [0,0,0,1,0,1|2,0,0]=4 230 B11R2.20 C1=NC=C2CCNCC2=N1 P19161 [0,0,0,1,0,1|2,0,0]=4 231 B11R2.239 C1=CC(C2CNC2)=NC=N1 74669 [0,0,0,1,0,1|2,0,0]=4 232 B11R2.239 C1=CC=C(C2CCC2)C=C1 F52090 [0,0,0,1,0,1|1,0,0]=3 233 B11R2.239 C1=CC=C([C@@H]2CCN2)C=C1 A50749 [0,0,0,1,0,1|2,0,0]=4 234 B11R2.239 C1=CN=C(C2CNC2)C=C1 F31095 [0,0,0,1,0,1|2,0,0]=4 235 B11R2.988 NC[C@H]1CC2=C1C=CC=C2 AT20374 [0,0,0,1,0,1|2,0,0]=4 236 B11R2.988 OC[C@H]1CC2=C1C=CC=C2 67862 [0,0,0,1,0,1|2,0,0]=4 237 B11R2.2 C1=CN([C@H]2CCOC2)N=C1 W15558 [0,1,0,1,0,0|2,0,0]=4 238 B11R2.2 C1=CNC([C@@H]2CCCN2)=C1 N12568 [0,1,0,1,0,0|1,0,0]=3 239 B11R2.2 C1=COC([C@@H]2CCCN2)=C1 N16712 [0,1,0,1,0,0|0,0,0]=2 240 B11R2.2 C1=COC([C@@H]2CCCN2)=C1 N16713 [0,1,0,1,0,0|0,0,0]=2 241 B11R2.2 C1=CSC([C@@H]2CCCN2)=C1 N12499 [0,1,0,1,0,0|0,1,0]=3 242 B11R2.2 C1=NC([C@@H]2CCCN2)=CS1 N14695 [0,1,0,1,0,0|2,0,0]=4 243 B11R2.57 OC1(C2=NC=CS2)CCC1 F30576 [0,1,0,1,0,0|1,1,0]=4 244 B11R2.106 C[C@@H]1NCCC2=C1N=CN2 W14997 [0,1,0,1,0,0|2,0,0]=4 245 B11R2.106 O=C1CCCC2=C1NC=C2 F30748 [0,1,0,1,0,0|1,0,1]=4 246 B11R2.1031 N[C@H](C1=CC=CS1)C2CC2 N12712 [0,1,0,1,0,0|0,1,0]=3 247 B11R2.1031 N[C@H](C1=NC=CS1)C2CC2 N14683 [0,1,0,1,0,0|1,1,0]=4 248 B11R2.1031 O=C(C1=CC=CO1)C2CC2 D85654 [0,1,0,1,0,0|0,0,1]=3 249 B11R2.10 BrC1=NC2=C(CCCC2)N1 F31296 [0,1,0,1,0,0|2,0,0]=4 250 B11R2.10 NC1=CC2=C(CCNC2)S1 F18457 [0,1,0,1,0,0|1,1,0]=4 251 B11R2.351 NC1=CC(CC2CC2)=NN1 F52362 [0,1,0,1,0,0|2,0,0]=4 252 B11R2.352 BrC1=CN=C(C2CCC2)O1 AT18674 [0,1,0,1,0,0|1,0,0]=3 253 B11R2.352 BrC1=NC=C(C2CCC2)S1 56519 [0,1,0,1,0,0|1,1,0]=4 254 B11R2.352 CC1=CN=C(C2CNC2)O1 50242 [0,1,0,1,0,0|2,0,0]=4 255 B11R2.352 NC1=CC(C2CCC2)=NN1 77092 [0,1,0,1,0,0|2,0,0]=4 256 B11R2.352 NC1=NC=C(C2CCC2)O1 55434 [0,1,0,1,0,0|1,0,0]=3 257 B11R2.352 NC1=NC=C(C2CCC2)S1 56515 [0,1,0,1,0,0|1,1,0]=4 258 B11R2.18 C1=CC2=C(CCCNC2)S1 D86998 [0,1,0,1,0,0|0,1,0]=3 259 B11R2.18 C1=CC2=C(CNCCC2)S1 70776 [0,1,0,1,0,0|0,1,0]=3 260 B11R2.18 C1=NC2=C(CCNCC2)N1 72475 [0,1,0,1,0,0|2,0,0]=4 261 B11R2.18 C1=NC2=C(CCNCC2)N1 W10124 [0,1,0,1,0,0|2,0,0]=4 262 B11R2.18 C1=NC2=C(CCNCC2)S1 F30392 [0,1,0,1,0,0|1,1,0]=4 263 B11R2.18 C1=NNC2=C1CCCNC2 C92323 [0,1,0,1,0,0|2,0,0]=4 264 B11R2.8 CC1CC2=C(C=CN2)C1N 96835 [0,1,0,1,0,0|2,0,0]=4 265 B11R2.8 CC1CC2=C(C=CN2)C1N 96836 [0,1,0,1,0,0|2,0,0]=4 266 B11R2.36 C[C@H]1CC2=C(C=CN2)CN1 96833 [0,1,0,1,0,0|2,0,0]=4 267 B11R2.36 C[C@H]1CC2=C(C=CN2)CN1 96834 [0,1,0,1,0,0|2,0,0]=4 268 B11R2.36 C[C@H]1CCC2=CC=NN2C1 56905 [0,1,0,1,0,0|2,0,0]=4 269 B11R2.36 C[C@H]1CCN2N=CC=C2C1 56894 [0,1,0,1,0,0|2,0,0]=4 270 B11R2.36 N[C@H]1CCC2=C(C1)NN=C2 32142 [0,1,0,1,0,0|2,0,0]=4 271 B11R2.36 N[C@H]1CCC2=C(C=NN2)C1 11060 [0,1,0,1,0,0|2,0,0]=4 272 B11R2.36 N[C@H]1CCC2=C(C=NN2)C1 F30609 [0,1,0,1,0,0|2,0,0]=4 273 B11R2.36 N[C@H]1CCC2=NC=CN2C1 P17912 [0,1,0,1,0,0|2,0,0]=4 274 B11R2.36 N[C@H]1CCN2N=CC=C2C1 P18182 [0,1,0,1,0,0|2,0,0]=4 275 B11R2.459 BrC1=C(C2CCC2)NN=C1 F53610 [0,1,0,1,0,0|2,0,0]=4