0 B11R1.24 BrCCCC1=CC=CC(Br)=C1 C77758 [0,0,0,0,0,0|2,1,0]=3 1 B11R1.24 BrCCOC1=CC=CC(Br)=C1 98063 [0,0,0,0,0,0|3,1,0]=4 2 B11R1.24 CC1=CC(CCCN)=NC=C1 W10140 [0,0,0,0,0,0|4,0,0]=4 3 B11R1.24 CC1=CC=CC(CCC=O)=C1 C10532 [0,0,0,0,0,0|3,0,0]=3 4 B11R1.24 CCCC[N+]1=CC(C)=CC=C1 C93515 [0,0,0,0,0,0|3,0,0]=3 5 B11R1.24 CCNCC1=CC(Br)=CN=C1 F19801 [0,0,0,0,0,0|3,1,0]=4 6 B11R1.24 CCOCC1=CC=CC(Br)=C1 F17773 [0,0,0,0,0,0|2,1,0]=3 7 B11R1.24 CNCCC1=CC=CC(Br)=C1 C78466 [0,0,0,0,0,0|0,1,0]=1 8 B11R1.24 COCCC1=CC(N)=NC=C1 AT18204 [0,0,0,0,0,0|3,0,0]=3 9 B11R1.24 ClC1=CC=CC(CCCBr)=C1 C78574 [0,0,0,0,0,0|2,0,0]=2 10 B11R1.24 ClCCNC1=CC(Cl)=NC=C1 98045 [0,0,0,0,0,0|4,0,0]=4 11 B11R1.24 N#CCCC1=CC=CC(F)=C1 97618 [0,0,0,0,0,0|2,1,0]=3 12 B11R1.24 N#CCOC1=CC(O)=CC=C1 C77746 [0,0,0,0,0,0|4,0,0]=4 13 B11R1.24 NC1=CC(CCCO)=NC=C1 AC5942 [0,0,0,0,0,0|4,0,0]=4 14 B11R1.24 NC1=CC=CC(OCCO)=C1 C78268 [0,0,0,0,0,0|4,0,0]=4 15 B11R1.24 NCCCC1=CC=CC(F)=C1 97619 [0,0,0,0,0,0|2,1,0]=3 16 B11R1.24 NCCCC1=CC=CC(N)=C1 C78147 [0,0,0,0,0,0|3,0,0]=3 17 B11R1.24 NCCCC1=CC=CC(O)=C1 C78310 [0,0,0,0,0,0|3,0,0]=3 18 B11R1.24 O=CCCC1=CC(O)=CC=C1 F19734 [0,0,0,0,0,0|3,0,0]=3 19 B11R1.24 O=CNCC1=CC=CC(F)=C1 Y10034 [0,0,0,0,0,0|3,1,0]=4 20 B11R1.24 OCCNC1=CC(Cl)=NC=C1 98044 [0,0,0,0,0,0|4,0,0]=4 21 B11R1.24 OCCOC1=CC(Cl)=CN=C1 AT19859 [0,0,0,0,0,0|4,0,0]=4 22 B11R1.24 [C-]#[N+]CCC1=CC=CC(F)=C1 50335 [0,0,0,0,0,0|0,1,2]=3 23 B10R1.10 CC#CC1=CC(Cl)=NC=C1 94009 [1,0,0,0,0,0|1,0,2]=4 24 B10R1.10 CC#CC1=CC=CC(Cl)=N1 94007 [1,0,0,0,0,0|1,0,2]=4 25 B10R1.10 CC1=CC=CC(CC=O)=C1 74805 [1,0,0,0,0,0|2,0,1]=4 26 B10R1.10 CC1=CC=CC(CCBr)=N1 AC6969 [1,0,0,0,0,0|3,0,0]=4 27 B10R1.10 CC1=CC=CC(CCN)=N1 P19093 [1,0,0,0,0,0|2,0,0]=3 28 B10R1.10 CC1=NC=CC(CNN)=C1 F52070 [1,0,0,0,0,0|3,0,0]=4 29 B10R1.10 CC1=NC=CC(CNN)=C1 F52466 [1,0,0,0,0,0|3,0,0]=4 30 B10R1.10 CCCC1=CC=CC(F)=C1 36946 [1,0,0,0,0,0|0,1,0]=2 31 B10R1.10 CCNC1=CC=CC(Cl)=C1 L10102 [1,0,0,0,0,0|1,0,0]=2 32 B10R1.10 CCNC1=CC=CC(O)=C1 F16135 [1,0,0,0,0,0|2,0,0]=3 33 B10R1.10 CCNC1=CN=CC(Cl)=N1 F15512 [1,0,0,0,0,0|3,0,0]=4 34 B10R1.10 CCOC1=CC=CC(S)=C1 T73015 [1,0,0,0,0,0|2,0,0]=3 35 B10R1.10 CCOC1=NC=CC(Cl)=N1 I11353 [1,0,0,0,0,0|3,0,0]=4 36 B10R1.10 CCSC1=CC(N)=CC=C1 AT20857 [1,0,0,0,0,0|2,0,0]=3 37 B10R1.10 CNCC1=CC(Cl)=NC=C1 AT26616 [1,0,0,0,0,0|1,0,0]=2 38 B10R1.10 CNCC1=NC(C)=CC=C1 D87644 [1,0,0,0,0,0|2,0,0]=3 39 B10R1.10 CNCC1=NC=CC(Cl)=C1 CS1254 [1,0,0,0,0,0|1,0,0]=2 40 B10R1.10 COCC1=CC(N)=CC=C1 30379 [1,0,0,0,0,0|2,0,0]=3 41 B10R1.10 CSCC1=CC(N)=CC=C1 AT15211 [1,0,0,0,0,0|2,0,0]=3 42 B10R1.10 ClC1=CC=CC(C#CBr)=C1 55375 [1,0,0,0,0,0|1,0,2]=4 43 B10R1.10 N#CCC1=CC(Cl)=CN=C1 93159 [1,0,0,0,0,0|1,0,2]=4 44 B10R1.10 N#CCC1=CC=CC(Cl)=N1 O10491 [1,0,0,0,0,0|1,0,2]=4 45 B10R1.10 NCCC1=CC=CC(I)=C1 C78608 [1,0,0,0,0,0|0,1,0]=2 46 B10R1.10 NNCC1=CC(Br)=CN=C1 P11105 [1,0,0,0,0,0|2,1,0]=4 47 B10R1.10 NNCC1=CC=CC(Cl)=C1 P15270 [1,0,0,0,0,0|1,0,0]=2 48 B10R1.10 NNCC1=CC=CC(O)=C1 D87672 [1,0,0,0,0,0|2,0,0]=3 49 B10R1.10 N\N=C\C1=CC=CC(O)=C1 F15561 [1,0,0,0,0,0|2,0,1]=4 50 B10R1.10 O=CCC1=CC=CC(Cl)=C1 W16823 [1,0,0,0,0,0|1,0,1]=3 51 B10R1.17 CCCCC1=CC=CN=N1 O10974 [1,0,0,0,0,0|3,0,0]=4 52 B10R1.17 CNCCC1=CC=CN=C1 C73747 [1,0,0,0,0,0|1,0,0]=2 53 B10R1.17 CNCCC1=CC=NC=C1 AR1715 [1,0,0,0,0,0|1,0,0]=2 54 B10R1.17 CNNCC1=NC=CC=C1 30190 [1,0,0,0,0,0|2,0,0]=3 55 B10R1.17 FCCNC1=CC=CC=C1 D77931 [1,0,0,0,0,0|3,0,0]=4 56 B10R1.17 NNCCC1=CC=CC=C1 AC4670 [1,0,0,0,0,0|1,0,0]=2 57 B10R1.17 NOCCC1=CC=CC=C1 C10179 [1,0,0,0,0,0|2,0,0]=3 58 B10R1.17 O=CCCC1=NC=CC=C1 P20552 [1,0,0,0,0,0|3,0,0]=4 59 B10R1.17 O=CCOC1=CC=CC=C1 C15303 [1,0,0,0,0,0|3,0,0]=4 60 B10R1.17 OCCCC1=CN=CC=C1 AC5531 [1,0,0,0,0,0|3,0,0]=4 61 B10R1.17 SCCCC1=CN=CC=C1 F18019 [1,0,0,0,0,0|3,0,0]=4 62 B10R1.17 SCCCC1=NC=CC=C1 F18728 [1,0,0,0,0,0|3,0,0]=4 63 B12R1.17 C=CC[C@H](N)C1=CC=CC(Br)=C1 74253 [0,1,0,0,0,0|1,1,1]=4 64 B12R1.17 CCCC(=O)C1=CC(C)=CC=C1 N13969 [0,1,0,0,0,0|2,0,1]=4 65 B12R1.17 CCCC(=O)C1=CC(Cl)=NC=C1 N14279 [0,1,0,0,0,0|2,0,1]=4 66 B12R1.17 CCCC(=O)C1=CC=CC(Cl)=C1 N13955 [0,1,0,0,0,0|1,0,1]=3 67 B12R1.17 CCCC(=O)C1=CC=CC(F)=C1 N13952 [0,1,0,0,0,0|1,1,1]=4 68 B12R1.17 CCCC(=O)C1=NC=CC(Cl)=C1 N14249 [0,1,0,0,0,0|2,0,1]=4 69 B12R1.17 COC[C@H](N)C1=CC=CC(Cl)=C1 N13031 [0,1,0,0,0,0|1,0,0]=2 70 B12R1.17 COC[C@H](N)C1=CC=CC(F)=C1 D81287 [0,1,0,0,0,0|1,1,0]=3 71 B12R1.17 N#CC[C@H](O)C1=CC=CC(O)=C1 D85736 [0,1,0,0,0,0|3,0,0]=4 72 B12R1.17 N[C@@H](CCO)C1=CC(Cl)=NC=C1 N11360 [0,1,0,0,0,0|3,0,0]=4 73 B12R1.17 N[C@@H](CCO)C1=CC=CC(Cl)=C1 57810 [0,1,0,0,0,0|2,0,0]=3 74 B12R1.17 N[C@@H](CCO)C1=CC=CC(O)=C1 62481 [0,1,0,0,0,0|3,0,0]=4 75 B12R1.25 CCCOC1=C(C)C(N)=CC=C1 F17950 [0,1,0,0,0,0|3,0,0]=4 76 B12R1.28 BrCCCCC1=CC=CC(Br)=C1 AT22149 [0,1,0,0,0,0|1,1,0]=3 77 B12R1.28 BrCCCOC1=CC=CC(Br)=C1 97812 [0,1,0,0,0,0|2,1,0]=4 78 B12R1.28 CCCCCC1=CC=CC(=O)O1 T70705 [0,1,0,0,0,0|3,0,0]=4 79 B12R1.28 CCCNCC1=CC(C)=CC=C1 C77940 [0,1,0,0,0,0|2,0,0]=3 80 B12R1.28 CCCNCC1=CC=CC(Br)=C1 C78566 [0,1,0,0,0,0|1,1,0]=3 81 B12R1.28 CCCNCC1=CC=CC(Cl)=C1 C78191 [0,1,0,0,0,0|1,0,0]=2 82 B12R1.28 CCCNCC1=CC=CC(F)=C1 C78563 [0,1,0,0,0,0|1,1,0]=3 83 B12R1.28 COCCNC1=NC=CC(N)=C1 F19660 [0,1,0,0,0,0|3,0,0]=4 84 B12R1.28 COCCOC1=CC(Cl)=NN=C1 C72008 [0,1,0,0,0,0|3,0,0]=4 85 B12R1.28 ClC1=CC=CC(OCCCBr)=C1 97802 [0,1,0,0,0,0|2,0,0]=3 86 B12R1.28 N#CCCOC1=CC=CC(Br)=C1 F13495 [0,1,0,0,0,0|2,1,0]=4 87 B12R1.28 NC1=CC=CC(OCCCO)=C1 C77805 [0,1,0,0,0,0|3,0,0]=4 88 B12R1.28 OCCCCC1=CC=CC(Br)=C1 AT22147 [0,1,0,0,0,0|1,1,0]=3 89 B12R1.50 CC1=CC=CC(C[C@H](N)CO)=C1 C78461 [0,1,0,0,0,0|3,0,0]=4 90 B12R1.50 CCC(=O)CC1=CC=CC(Br)=C1 N14158 [0,1,0,0,0,0|1,1,1]=4 91 B12R1.50 CCC(=O)CC1=CC=CC(F)=C1 N14137 [0,1,0,0,0,0|1,1,1]=4 92 B12R1.50 CC[C@H](N)CC1=CC(C)=CC=C1 N14536 [0,1,0,0,0,0|2,0,0]=3 93 B12R1.50 CC[C@H](N)CC1=CC=CC(Br)=C1 N14532 [0,1,0,0,0,0|1,1,0]=3 94 B12R1.50 CC[C@H](N)CC1=CC=CC(Cl)=C1 N14527 [0,1,0,0,0,0|1,0,0]=2 95 B12R1.50 CC[C@H](N)CC1=CC=CC(F)=C1 N14524 [0,1,0,0,0,0|1,1,0]=3 96 B12R1.50 CNC(=O)CC1=CC(N)=CC=C1 N10567 [0,1,0,0,0,0|1,0,1]=3 97 B12R1.50 CN[C@@H](C)CC1=CC=CC(F)=C1 N12793 [0,1,0,0,0,0|0,1,0]=2 98 B12R1.50 COC(=O)CC1=CC(Cl)=NC=C1 D71961 [0,1,0,0,0,0|2,0,1]=4 99 B12R1.50 COC(=O)CC1=NC=CC(Cl)=C1 AT23282 [0,1,0,0,0,0|2,0,1]=4 100 B12R1.50 N[C@H](CO)CC1=CC=CC(Br)=C1 C78100 [0,1,0,0,0,0|2,1,0]=4 101 B12R1.50 N[C@H](CO)CC1=CC=CC(Br)=C1 C78242 [0,1,0,0,0,0|2,1,0]=4 102 B12R1.50 N[C@H](CO)CC1=CC=CC(Cl)=C1 Y11238 [0,1,0,0,0,0|2,0,0]=3 103 B12R1.50 N[C@H](CO)CC1=CC=CC(F)=C1 N11307 [0,1,0,0,0,0|2,1,0]=4 104 B12R1.100 CC1=CC(C)=CC(CCCN)=C1 C77897 [0,1,0,0,0,0|3,0,0]=4 105 B12R1.100 COCOC1=CC(F)=CC(F)=C1 AC6738 [0,1,0,0,0,0|2,1,0]=4 106 B12R1.100 FC1=CC(F)=CC(CCCBr)=C1 C78521 [0,1,0,0,0,0|2,1,0]=4 107 B12R1.100 NCCCC1=CC(F)=CC(F)=C1 C77734 [0,1,0,0,0,0|2,1,0]=4 108 B12R1.100 OCCCC1=CC(F)=CC(F)=C1 C77733 [0,1,0,0,0,0|2,1,0]=4 109 B12R1.226 CC(=O)NNC1=CC=CC(Cl)=C1 C14571 [0,1,0,0,0,0|3,0,0]=4 110 B12R1.226 CC(C)NCC1=CC=CC(Br)=C1 C77759 [0,1,0,0,0,0|2,1,0]=4 111 B12R1.226 CC(C)NCC1=CC=CC(Cl)=C1 C78565 [0,1,0,0,0,0|2,0,0]=3 112 B12R1.226 CC(C)NCC1=CC=CC(F)=C1 C78564 [0,1,0,0,0,0|2,1,0]=4 113 B12R1.226 CC(C)OCC1=CC(N)=CC=C1 F20261 [0,1,0,0,0,0|3,0,0]=4 114 B12R1.226 CC1=CC=CC(CNC(C)C)=C1 C78583 [0,1,0,0,0,0|3,0,0]=4 115 B12R1.226 CC1=CC=CC(OC[C@H](C)N)=C1 F50497 [0,1,0,0,0,0|3,0,0]=4 116 B12R1.226 NC(=O)CCC1=CC=CC(Br)=C1 F20007 [0,1,0,0,0,0|2,1,0]=4 117 B12R1.226 NC(=O)CCC1=CC=CC(Cl)=C1 D87293 [0,1,0,0,0,0|2,0,0]=3 118 B12R1.374 CCOCC1=C(Br)C=CC(F)=C1 N10175 [0,1,0,0,0,0|2,1,0]=4 119 B12R1.374 CCOCC1=C(F)C=CC(Br)=C1 N10200 [0,1,0,0,0,0|2,1,0]=4 120 B12R1.374 ClC1=CC(OCCBr)=C(Br)C=C1 AT20088 [0,1,0,0,0,0|3,0,0]=4 121 B12R1.374 FC1=CC(CCCBr)=C(F)C=C1 C77741 [0,1,0,0,0,0|2,1,0]=4 122 B12R1.374 OCCCC1=C(F)C=CC(F)=C1 C78523 [0,1,0,0,0,0|2,1,0]=4 123 B12R1.382 C#CCCC1=CC=CC(C#N)=C1 D85889 [0,1,0,0,0,0|2,0,1]=4 124 B12R1.382 CCNCC1=CC=CC(OC)=C1 F16322 [0,1,0,0,0,0|3,0,0]=4 125 B12R1.382 COC1=CC=CC(CCC=O)=C1 AC6075 [0,1,0,0,0,0|3,0,0]=4 126 B12R1.385 CC1=C(C)C=C(CCCN)C=C1 C77896 [0,1,0,0,0,0|3,0,0]=4 127 B12R1.385 CCCCC1=CC(N)=C(N)C=C1 F18184 [0,1,0,0,0,0|2,0,0]=3 128 B12R1.385 CNCCC1=CC(Cl)=C(Cl)C=C1 C78278 [0,1,0,0,0,0|0,0,0]=1 129 B12R1.385 FC1=C(F)C=C(CCCBr)C=C1 C77742 [0,1,0,0,0,0|2,1,0]=4 130 B12R1.385 NCCCC1=CC(Cl)=C(Cl)C=C1 C78454 [0,1,0,0,0,0|2,0,0]=3 131 B12R1.385 NCCCC1=CC(F)=C(F)C=C1 C78171 [0,1,0,0,0,0|2,1,0]=4 132 B12R1.385 OCCCC1=CC(F)=C(F)C=C1 C78127 [0,1,0,0,0,0|2,1,0]=4 133 B12R2.24 BrC1=NC2=C(C=C1)CNCC2 C13599 [0,0,0,1,0,0|1,1,0]=3 134 B12R2.24 CC1=CC2=C(C=C1)CNCC2 C15799 [0,0,0,1,0,0|1,0,0]=2 135 B12R2.24 ClC1=CC2=C(C=C1)CCCC2 Y10725 [0,0,0,1,0,0|1,0,0]=2 136 B12R2.24 ClC1=CC2=C(C=C1)COCC2 N14606 [0,0,0,1,0,0|1,0,0]=2 137 B12R2.24 ClC1=CC2=C(C=C1)SCCN2 AT25438 [0,0,0,1,0,0|3,0,0]=4 138 B12R2.24 ClC1=CC2=C(C=C1)SCCN2 AT25439 [0,0,0,1,0,0|3,0,0]=4 139 B12R2.24 ClC1=CN=C2CCNCC2=C1 D87527 [0,0,0,1,0,0|3,0,0]=4 140 B12R2.24 ClC1=NC2=C(C=N1)CCCC2 70942 [0,0,0,1,0,0|3,0,0]=4 141 B12R2.24 FC1=CC2=C(C=C1)CCNC2 76409 [0,0,0,1,0,0|2,1,0]=4 142 B12R2.24 FC1=CC2=C(C=C1)COCC2 N14605 [0,0,0,1,0,0|1,1,0]=3 143 B12R2.80 NC1CC1C2=CC=CC(Cl)=C2 D86978 [0,0,0,1,0,0|2,0,0]=3 144 B12R2.80 N[C@H]1C[C@@H]1C2=CC=CC(Cl)=C2 AC1027 [0,0,0,1,0,0|2,0,0]=3 145 B12R2.80 N[C@H]1C[C@@H]1C2=CC=CC(F)=C2 E72638 [0,0,0,1,0,0|2,1,0]=4 146 B12R2.203 CC1=CNC2=CC=CC(Cl)=C12 82101 [0,0,0,1,0,0|2,0,1]=4 147 B12R2.203 CN1C=CC2=CC=CC(N)=C21 N13008 [0,0,0,1,0,0|1,0,2]=4 148 B12R2.203 CN1C=NC2=C1C(Cl)=NC=C2 91612 [0,0,0,1,0,0|2,0,1]=4 149 B12R2.203 CN1C=NC2=CC=CC(Cl)=C21 91614 [0,0,0,1,0,0|1,0,1]=3 150 B12R2.203 CN1C=NC2=NC=CC(Cl)=C21 91609 [0,0,0,1,0,0|2,0,1]=4 151 B12R2.203 C[C@H]1CCC2=C1C(Cl)=NC=N2 F20838 [0,0,0,1,0,0|3,0,0]=4 152 B12R2.203 N[C@H]1CCC2=CC=CC(F)=C21 Y12096 [0,0,0,1,0,0|2,1,0]=4 153 B12R2.203 N[C@H]1COC2=CC=CC(Cl)=C21 N11259 [0,0,0,1,0,0|3,0,0]=4 154 B12R2.203 N[C@H]1COC2=CC=CC(Cl)=C21 N16516 [0,0,0,1,0,0|3,0,0]=4 155 B12R2.203 O=C1COC2=CC=CC(Cl)=C12 AT10336 [0,0,0,1,0,0|3,0,0]=4 156 B12R2.612 CC1=CC2=C(C=C1)[C@@H](N)CC2 N10840 [0,0,0,1,0,0|3,0,0]=4 157 B12R2.612 CN1C=CC2=C1C=CC(F)=C2 98405 [0,0,0,1,0,0|0,1,2]=4 158 B12R2.612 CN1C=CC2=CC(Cl)=NC=C21 96216 [0,0,0,1,0,0|1,0,2]=4 159 B12R2.612 ClC1=CC2=C(C=C1)[C@@H](Br)CC2 AT21847 [0,0,0,1,0,0|2,0,0]=3 160 B12R2.612 Cl[C@H]1CCC2=C1C=CC(Br)=C2 O11349 [0,0,0,1,0,0|2,1,0]=4 161 B12R2.612 N[C@H]1CCC2=C1C=CC(F)=C2 69968 [0,0,0,1,0,0|2,1,0]=4 162 B12R2.612 N[C@H]1CCC2=C1C=CC(F)=C2 F16940 [0,0,0,1,0,0|2,1,0]=4 163 B12R2.612 N[C@H]1CCC2=C1C=CC(F)=C2 Y11252 [0,0,0,1,0,0|2,1,0]=4 164 B12R2.612 O=C1CCC2=C1C=CC(Cl)=N2 94539 [0,0,0,1,0,0|3,0,0]=4 165 B12R2.612 O=C1CCC2=C1C=CC(S)=C2 79915 [0,0,0,1,0,0|3,0,0]=4 166 B12R2.612 O[C@H]1COC2=C1C=CC(Cl)=C2 AT21520 [0,0,0,1,0,0|3,0,0]=4 167 B12R2.1081 CC1=C2CNCCC2=NC=N1 C16784 [0,0,0,1,0,0|3,0,0]=4 168 B12R2.1081 CC1=C2CNCCC2=NC=N1 SC2281 [0,0,0,1,0,0|3,0,0]=4 169 B12R2.1081 CC1=CC=CC2=C1CCOC2 N14603 [0,0,0,1,0,0|3,0,0]=4 170 B12R2.1081 ClC1=C2CCCNC2=CC=C1 N14207 [0,0,0,1,0,0|2,0,0]=3 171 B12R2.1081 ClC1=C2CCNCC2=CC=C1 24212 [0,0,0,1,0,0|2,0,0]=3 172 B12R2.1081 ClC1=C2CCOCC2=CC=C1 N14602 [0,0,0,1,0,0|2,0,0]=3 173 B12R2.1081 ClC1=C2NCCSC2=CC=C1 72679 [0,0,0,1,0,0|3,0,0]=4 174 B12R2.1081 ClC1=C2SCCNC2=CC=C1 72678 [0,0,0,1,0,0|3,0,0]=4 175 B12R2.1081 ClC1=NC=CC2=C1CCNC2 F53692 [0,0,0,1,0,0|3,0,0]=4 176 B12R2.1081 ClC1=NC=NC2=C1CCCC2 N12394 [0,0,0,1,0,0|3,0,0]=4 177 B12R2.1081 ClC1=NC=NC2=C1CNCC2 82104 [0,0,0,1,0,0|2,0,0]=3 178 B12R2.1081 FC1=C2CCOCC2=CC=C1 N14601 [0,0,0,1,0,0|2,1,0]=4 179 B12R2.1081 NC1=C2CCCCC2=CN=C1 F13768 [0,0,0,1,0,0|3,0,0]=4 180 B12R2.1081 NC1=C2CNCCC2=CC=C1 C10171 [0,0,0,1,0,0|1,0,0]=2 181 B12R2.1081 OC1=C2CCNCC2=CC=C1 20736 [0,0,0,1,0,0|3,0,0]=4 182 B12R2.1081 OC1=C2CNCCC2=CC=C1 AT24057 [0,0,0,1,0,0|1,0,0]=2 183 B12R2.1081 OC1=C2CNCCC2=CC=C1 C15586 [0,0,0,1,0,0|1,0,0]=2 184 B12R2.1081 OC1=C2OCCCC2=CC=C1 76490 [0,0,0,1,0,0|3,0,0]=4 185 B12R2.1081 OC1=NC=CC2=C1CNCC2 F53632 [0,0,0,1,0,0|2,0,0]=3 186 B12R2.2313 CC1=CC(C2CNC2)=NC=C1 90168 [0,0,0,1,0,0|2,0,0]=3 187 B12R2.2313 CC1=CC=CC(C2CNC2)=C1 AT15442 [0,0,0,1,0,0|1,0,0]=2 188 B12R2.2313 CC1=CC=CC(C2CNC2)=N1 90170 [0,0,0,1,0,0|2,0,0]=3 189 B12R2.2313 CC1=CC=NC(C2CNC2)=N1 90177 [0,0,0,1,0,0|3,0,0]=4 190 B12R2.2313 NC1=CC(C2CCC2)=NC=C1 F52581 [0,0,0,1,0,0|3,0,0]=4 191 B12R2.2313 OC1=CC(C2CCC2)=CC=C1 97837 [0,0,0,1,0,0|2,0,0]=3 192 B10R1.29 CNCCN1C=CN=C1C D75971 [0,0,0,0,1,0|3,0,0]=4 193 B9R1.2 CCC1=CC(Cl)=NN=C1 S11387 [2,0,0,0,0,0|2,0,0]=4 194 B9R1.2 CCC1=NC=CC(Cl)=N1 W12562 [2,0,0,0,0,0|2,0,0]=4 195 B9R1.2 CNC1=NC=CC(N)=C1 F12690 [2,0,0,0,0,0|2,0,0]=4 196 B9R1.2 CSC1=CC(Cl)=CN=C1 AT19857 [2,0,0,0,0,0|2,0,0]=4 197 B9R1.2 ClC1=NC=CC(CBr)=C1 C16429 [2,0,0,0,0,0|2,0,0]=4 198 B9R1.2 ClCC1=NC=CC(Cl)=C1 C13998 [2,0,0,0,0,0|2,0,0]=4 199 B9R1.2 NCC1=CC(=O)NC=C1 37540 [2,0,0,0,0,0|2,0,0]=4 200 B9R1.2 NCC1=CC(Br)=CN=C1 F19818 [2,0,0,0,0,0|1,1,0]=4 201 B9R1.2 NCC1=CC(F)=NC=C1 W18404 [2,0,0,0,0,0|1,1,0]=4 202 B9R1.2 NCC1=CC(N)=NC=C1 AC6477 [2,0,0,0,0,0|2,0,0]=4 203 B9R1.2 NCC1=CC=CC(Cl)=N1 C72946 [2,0,0,0,0,0|1,0,0]=3 204 B9R1.2 NCC1=CC=CC(I)=C1 CK2420 [2,0,0,0,0,0|0,1,0]=3 205 B9R1.2 NCC1=CC=CC(O)=N1 F10425 [2,0,0,0,0,0|2,0,0]=4 206 B9R1.2 NCC1=NC=CC(Br)=C1 26892 [2,0,0,0,0,0|1,1,0]=4 207 B9R1.2 NCC1=NC=CC(F)=C1 C71953 [2,0,0,0,0,0|1,1,0]=4 208 B9R1.2 NCC1=NC=CC(N)=C1 77886 [2,0,0,0,0,0|2,0,0]=4 209 B9R1.2 [2H]CC1=CC=CC(F)=C1 D99661 [2,0,0,0,0,0|1,1,0]=4 210 B9R1.8 BrCCC1=CN=CC=C1 C77647 [2,0,0,0,0,0|2,0,0]=4 211 B9R1.8 CCCC1=CC=CN=C1 O11051 [2,0,0,0,0,0|1,0,0]=3 212 B9R1.8 CCC[N+]1=CC=CC=C1 T72121 [2,0,0,0,0,0|1,0,0]=3 213 B9R1.8 CNCC1=CN=CN=C1 38577 [2,0,0,0,0,0|2,0,0]=4 214 B9R1.8 CNCC1=NC=CC=N1 27199 [2,0,0,0,0,0|2,0,0]=4 215 B9R1.8 CNCC1=NC=CC=N1 72796 [2,0,0,0,0,0|2,0,0]=4 216 B9R1.8 CNCC1=NC=NC=C1 C14477 [2,0,0,0,0,0|2,0,0]=4 217 B9R1.8 CNNC1=CC=CC=C1 C77159 [2,0,0,0,0,0|1,0,0]=3 218 B9R1.8 FCCC1=CC=CC=C1 75534 [2,0,0,0,0,0|1,0,0]=3 219 B9R1.8 NCCC1=CC=CC=C1 T71816 [2,0,0,0,0,0|0,0,0]=2 220 B9R1.8 NCCC1=CC=CC=C1 T72591 [2,0,0,0,0,0|0,0,0]=2 221 B9R1.8 NCCC1=NC=CC=N1 83201 [2,0,0,0,0,0|2,0,0]=4 222 B9R1.8 NCCC1=NC=CC=N1 P10852 [2,0,0,0,0,0|2,0,0]=4 223 B9R1.8 NCCC1=NC=CN=C1 AT22557 [2,0,0,0,0,0|2,0,0]=4 224 B9R1.8 NCCC1=NC=NC=C1 P10950 [2,0,0,0,0,0|2,0,0]=4 225 B9R1.8 NNCC1=NC=CC=C1 P10521 [2,0,0,0,0,0|2,0,0]=4 226 B9R1.8 OCCC1=CC=NC=C1 T72404 [2,0,0,0,0,0|2,0,0]=4 227 B9R1.8 SCCC1=NC=CC=C1 F18309 [2,0,0,0,0,0|2,0,0]=4 228 B11R1.13 CC1=C(Cl)C=CC=C1CC#N C90793 [1,1,0,0,0,0|0,0,2]=4 229 B11R1.13 CCNC1=C(N)C(Cl)=NC=C1 CS1185 [1,1,0,0,0,0|2,0,0]=4 230 B11R1.13 CCNC1=NC=CC(Cl)=C1N C91370 [1,1,0,0,0,0|2,0,0]=4 231 B11R1.13 CCOC1=C(C)C(N)=CC=C1 F18648 [1,1,0,0,0,0|2,0,0]=4 232 B11R1.13 ClC1=CC=CC(CCBr)=C1Cl C78633 [1,1,0,0,0,0|1,0,0]=3 233 B11R1.13 OCCC1=NC=CC(Cl)=C1Br W11042 [1,1,0,0,0,0|2,0,0]=4 234 B11R1.23 C#C[C@@H](O)C1=CC=CC(Cl)=C1 AC5834 [1,1,0,0,0,0|0,0,2]=4 235 B11R1.23 C=C[C@H](N)C1=CC=CC(Cl)=C1 N15242 [1,1,0,0,0,0|0,0,2]=4 236 B11R1.23 C=C[C@H](N)C1=CC=CC(Cl)=C1 N15243 [1,1,0,0,0,0|0,0,2]=4 237 B11R1.23 C=C[C@H](N)C1=CC=CC(Cl)=C1 N15245 [1,1,0,0,0,0|0,0,2]=4 238 B11R1.23 CC1=CC=CC([C@@H](N)CN)=C1 N13429 [1,1,0,0,0,0|1,0,0]=3 239 B11R1.23 CC1=CC=CC([C@@H](N)CN)=C1 N13430 [1,1,0,0,0,0|1,0,0]=3 240 B11R1.23 CC1=CC=CC([C@@H](N)CN)=C1 N13431 [1,1,0,0,0,0|1,0,0]=3 241 B11R1.23 CC1=CC=CC([C@@H](N)CN)=C1 N13452 [1,1,0,0,0,0|1,0,0]=3 242 B11R1.23 CC1=CC=CC([C@@H](N)CN)=C1 N13453 [1,1,0,0,0,0|1,0,0]=3 243 B11R1.23 CC1=CC=CC([C@@H](N)CN)=C1 N13454 [1,1,0,0,0,0|1,0,0]=3 244 B11R1.23 CC1=CC=CC([C@@H](O)CN)=C1 C78286 [1,1,0,0,0,0|1,0,0]=3 245 B11R1.23 CCC(=O)C1=CC(Cl)=NC=C1 N13049 [1,1,0,0,0,0|1,0,1]=4 246 B11R1.23 CCC(=O)C1=CC(N)=CC=C1 34175 [1,1,0,0,0,0|1,0,1]=4 247 B11R1.23 CC[C@H](O)C1=CC(C)=CC=C1 N14416 [1,1,0,0,0,0|1,0,0]=3 248 B11R1.23 CC[C@H](O)C1=CC=CC(Br)=C1 N12527 [1,1,0,0,0,0|0,1,0]=3 249 B11R1.23 CC[C@H](O)C1=CC=CC(Cl)=C1 N12311 [1,1,0,0,0,0|0,0,0]=2 250 B11R1.23 CN[C@@H](C)C1=CC=CC(F)=C1 N12243 [1,1,0,0,0,0|0,1,0]=3 251 B11R1.23 NCC(=O)C1=CC(O)=CC=C1 C77908 [1,1,0,0,0,0|1,0,1]=4 252 B11R1.23 NC[C@H](N)C1=CC=CC(Br)=C1 N13420 [1,1,0,0,0,0|0,1,0]=3 253 B11R1.23 NC[C@H](N)C1=CC=CC(Br)=C1 N13421 [1,1,0,0,0,0|0,1,0]=3 254 B11R1.23 NC[C@H](N)C1=CC=CC(Br)=C1 N13422 [1,1,0,0,0,0|0,1,0]=3 255 B11R1.23 NC[C@H](N)C1=CC=CC(Br)=C1 N13443 [1,1,0,0,0,0|0,1,0]=3 256 B11R1.23 NC[C@H](N)C1=CC=CC(Br)=C1 N13445 [1,1,0,0,0,0|0,1,0]=3 257 B11R1.23 NC[C@H](N)C1=CC=CC(Cl)=C1 N13411 [1,1,0,0,0,0|0,0,0]=2 258 B11R1.23 NC[C@H](N)C1=CC=CC(Cl)=C1 N13412 [1,1,0,0,0,0|0,0,0]=2 259 B11R1.23 NC[C@H](N)C1=CC=CC(Cl)=C1 N13413 [1,1,0,0,0,0|0,0,0]=2 260 B11R1.23 NC[C@H](N)C1=CC=CC(Cl)=C1 N13435 [1,1,0,0,0,0|0,0,0]=2 261 B11R1.23 NC[C@H](N)C1=CC=CC(Cl)=C1 N13436 [1,1,0,0,0,0|0,0,0]=2 262 B11R1.23 NC[C@H](N)C1=CC=CC(Cl)=C1 N13437 [1,1,0,0,0,0|0,0,0]=2 263 B11R1.23 NC[C@H](N)C1=CC=CC(F)=C1 N13396 [1,1,0,0,0,0|0,1,0]=3 264 B11R1.23 NC[C@H](N)C1=CC=CC(F)=C1 N13397 [1,1,0,0,0,0|0,1,0]=3 265 B11R1.23 NC[C@H](N)C1=CC=CC(F)=C1 N13398 [1,1,0,0,0,0|0,1,0]=3 266 B11R1.23 NC[C@H](N)C1=CC=CC(F)=C1 N13399 [1,1,0,0,0,0|0,1,0]=3 267 B11R1.23 NC[C@H](N)C1=CC=CC(F)=C1 N13404 [1,1,0,0,0,0|0,1,0]=3 268 B11R1.23 NC[C@H](N)C1=CC=CC(F)=C1 N13405 [1,1,0,0,0,0|0,1,0]=3 269 B11R1.23 NC[C@H](O)C1=CC=CC(Br)=C1 58439 [1,1,0,0,0,0|0,1,0]=3 270 B11R1.23 NC[C@H](O)C1=CC=CC(Br)=C1 71528 [1,1,0,0,0,0|0,1,0]=3 271 B11R1.23 NC[C@H](O)C1=CC=CC(Br)=C1 92116 [1,1,0,0,0,0|0,1,0]=3 272 B11R1.23 NC[C@H](O)C1=CC=CC(Cl)=C1 58428 [1,1,0,0,0,0|0,0,0]=2 273 B11R1.23 NC[C@H](O)C1=CC=CC(Cl)=C1 C78287 [1,1,0,0,0,0|0,0,0]=2 274 B11R1.23 NC[C@H](O)C1=CC=CC(Cl)=C1 D77208 [1,1,0,0,0,0|0,0,0]=2 275 B11R1.23 N[C@@H](CF)C1=CC=CC(Br)=C1 N14613 [1,1,0,0,0,0|1,1,0]=4 276 B11R1.23 N[C@@H](CO)C1=CC=CC(F)=C1 N12818 [1,1,0,0,0,0|1,1,0]=4 277 B11R1.23 N[C@@H](CO)C1=NC=CC(Cl)=C1 N14937 [1,1,0,0,0,0|2,0,0]=4 278 B11R1.23 N[C@@H](CO)C1=NC=CC(Cl)=C1 N14938 [1,1,0,0,0,0|2,0,0]=4 279 B11R1.23 O[C@@H](CCl)C1=CC=CC(Br)=C1 58437 [1,1,0,0,0,0|1,1,0]=4 280 B11R1.23 O[C@@H](CCl)C1=CC=CC(Cl)=C1 58424 [1,1,0,0,0,0|1,0,0]=3 281 B11R1.23 O[C@@H](CCl)C1=CC=CC(Cl)=C1 C72678 [1,1,0,0,0,0|1,0,0]=3 282 B11R1.34 CCCC1=CC(Cl)=NC(C)=N1 76064 [1,1,0,0,0,0|2,0,0]=4 283 B11R1.34 CCOC1=CC(Br)=CC(Br)=C1 N11666 [1,1,0,0,0,0|1,1,0]=4 284 B11R1.34 CCOC1=CC(N)=CC(Cl)=N1 S12144 [1,1,0,0,0,0|2,0,0]=4 285 B11R1.34 COCC1=CC(Br)=CC(Br)=C1 AT26748 [1,1,0,0,0,0|1,1,0]=4 286 B11R1.34 COCC1=CC(Br)=CC(F)=C1 94138 [1,1,0,0,0,0|1,1,0]=4 287 B11R1.34 COCC1=CC(F)=CC(F)=C1 AT26699 [1,1,0,0,0,0|1,1,0]=4 288 B11R1.34 CSCC1=CC(Cl)=NC(Cl)=C1 C91470 [1,1,0,0,0,0|2,0,0]=4 289 B11R1.34 ClC1=CC(Cl)=CC(CCBr)=C1 C78597 [1,1,0,0,0,0|1,0,0]=3 290 B11R1.34 NCCC1=CC(Cl)=CC(Cl)=C1 F12494 [1,1,0,0,0,0|0,0,0]=2 291 B11R1.34 NOCC1=CC(Cl)=CC(Cl)=C1 D74083 [1,1,0,0,0,0|1,0,0]=3 292 B11R1.34 OCCC1=CC(Br)=CC(Br)=C1 AT19150 [1,1,0,0,0,0|1,1,0]=4 293 B11R1.34 OCCC1=CC(O)=CC(O)=C1 AT19148 [1,1,0,0,0,0|2,0,0]=4 294 B11R1.157 CC(=O)CC1=CC(C)=CC=C1 N12785 [1,1,0,0,0,0|1,0,1]=4 295 B11R1.157 CC(C)CC1=CC=CC(N)=C1 O11024 [1,1,0,0,0,0|1,0,0]=3 296 B11R1.157 CC(C)NC1=CC=CC(Br)=C1 C77831 [1,1,0,0,0,0|1,1,0]=4 297 B11R1.157 CC(C)NC1=CC=CC(Cl)=C1 C78133 [1,1,0,0,0,0|1,0,0]=3 298 B11R1.157 CC1=CC=CC(C[C@H](C)N)=C1 N11054 [1,1,0,0,0,0|1,0,0]=3 299 B11R1.157 C[C@H](N)CC1=CC=CC(Br)=C1 E72139 [1,1,0,0,0,0|0,1,0]=3 300 B11R1.157 C[C@H](N)CC1=CC=CC(Cl)=C1 83690 [1,1,0,0,0,0|0,0,0]=2 301 B11R1.157 C[C@H](N)CC1=CC=CC(Cl)=C1 N11066 [1,1,0,0,0,0|0,0,0]=2 302 B11R1.157 C[C@H](N)CC1=CC=CC(F)=C1 N10878 [1,1,0,0,0,0|0,1,0]=3 303 B11R1.157 C[S@](=O)CC1=CC(N)=CC=C1 AT15220 [1,1,0,0,0,0|2,0,0]=4 304 B11R1.157 FC(F)OC1=CC=CC(Cl)=C1 F19087 [1,1,0,0,0,0|2,0,0]=4 305 B11R1.157 N=C(N)NC1=CC=CC(Cl)=C1 C12447 [1,1,0,0,0,0|1,0,1]=4 306 B11R1.182 CC1=C(CC#N)C=C(Cl)C=C1 AT13429 [1,1,0,0,0,0|0,0,2]=4 307 B11R1.182 CC1=C(CCN)C=C(Cl)C=C1 AT13431 [1,1,0,0,0,0|0,0,0]=2 308 B11R1.182 CCCC1=C(Br)C=CC(O)=C1 57995 [1,1,0,0,0,0|1,0,0]=3 309 B11R1.182 CCCN1C=C(N)C=CC1=O AT19282 [1,1,0,0,0,0|2,0,0]=4 310 B11R1.182 CCOC1=C(F)C=CC(Br)=C1 H11056 [1,1,0,0,0,0|1,1,0]=4 311 B11R1.182 CNCC1=C(Cl)C=CC(Cl)=C1 76693 [1,1,0,0,0,0|0,0,0]=2 312 B11R1.182 CNCC1=C(F)C=CC(Br)=C1 36267 [1,1,0,0,0,0|0,1,0]=3 313 B11R1.182 COCC1=C(Br)C=CC(F)=C1 N11817 [1,1,0,0,0,0|1,1,0]=4 314 B11R1.182 COCC1=CC(Cl)=CN=C1Cl 55140 [1,1,0,0,0,0|2,0,0]=4 315 B11R1.182 ClC1=CC(CCBr)=C(Cl)C=C1 C78205 [1,1,0,0,0,0|1,0,0]=3 316 B11R1.182 NCCC1=C(Br)C=CC(Cl)=C1 AT11063 [1,1,0,0,0,0|0,0,0]=2 317 B11R1.182 NCCC1=C(F)C=CC(Br)=C1 N12525 [1,1,0,0,0,0|0,1,0]=3 318 B11R1.182 NCCC1=C(F)C=CC(F)=C1 AT21560 [1,1,0,0,0,0|0,1,0]=3 319 B11R1.182 NCCN1C=C(Br)C=CC1=O AT19269 [1,1,0,0,0,0|1,1,0]=4 320 B11R1.182 NNCC1=C(Br)C=CC(Cl)=C1 AC5350 [1,1,0,0,0,0|1,0,0]=3 321 B11R1.182 NNCC1=C(Cl)C=CC(F)=C1 AC5377 [1,1,0,0,0,0|1,1,0]=4 322 B11R1.182 NNCC1=C(F)C=CC(Br)=C1 AC5379 [1,1,0,0,0,0|1,1,0]=4 323 B11R1.189 CCCC1=CC=CC(OC)=C1 AC9509 [1,1,0,0,0,0|1,0,0]=3 324 B11R1.189 CCOC1=CC(CN)=CC=C1 N12140 [1,1,0,0,0,0|2,0,0]=4 325 B11R1.189 CCSC1=CC(C#N)=CC=C1 AT20900 [1,1,0,0,0,0|2,0,0]=4 326 B11R1.189 COC1=NC=CC(CCN)=C1 AT18209 [1,1,0,0,0,0|2,0,0]=4 327 B11R1.189 COCC1=CC(C#N)=CC=C1 O10889 [1,1,0,0,0,0|2,0,0]=4 328 B11R1.189 COCC1=CC=CC(OC)=C1 N11528 [1,1,0,0,0,0|2,0,0]=4 329 B11R1.189 N#CC1=CC(CCN)=CC=C1 72737 [1,1,0,0,0,0|1,0,0]=3 330 B11R1.192 CCCC1=CC(Br)=C(Cl)C=C1 F31327 [1,1,0,0,0,0|0,1,0]=3 331 B11R1.192 CCOC1=CC(F)=C(O)C=C1 94989 [1,1,0,0,0,0|1,1,0]=4 332 B11R1.192 CCOC1=CC(N)=C(N)C=C1 34477 [1,1,0,0,0,0|2,0,0]=4 333 B11R1.192 CCSC1=CC(Cl)=C(Br)C=C1 89705 [1,1,0,0,0,0|1,0,0]=3 334 B11R1.192 CNCC1=CC(F)=C(F)C=C1 N12835 [1,1,0,0,0,0|0,1,0]=3 335 B11R1.192 ClC1=C(Cl)C=C(CCBr)C=C1 C78192 [1,1,0,0,0,0|1,0,0]=3 336 B11R1.192 FC1=C(Br)C=CC(CCBr)=C1 AC8493 [1,1,0,0,0,0|1,1,0]=4 337 B11R1.192 NNCC1=CC(Br)=C(F)C=C1 E71963 [1,1,0,0,0,0|1,1,0]=4 338 B11R1.192 NNCC1=CC(Cl)=C(Cl)C=C1 AC5360 [1,1,0,0,0,0|1,0,0]=3 339 B11R1.192 NNCC1=CC(F)=C(F)C=C1 AC5348 [1,1,0,0,0,0|1,1,0]=4 340 B11R1.192 O=CCC1=CC(Cl)=C(Cl)C=C1 25894 [1,1,0,0,0,0|1,0,1]=4 341 B11R1.1 CC1=CC=C(CCCN)C=C1 C78299 [1,1,0,0,0,0|2,0,0]=4 342 B11R1.1 CNCCC1=CC=C(Br)C=C1 C78422 [1,1,0,0,0,0|0,0,0]=2 343 B11R1.1 CNCCC1=CC=C(C)C=C1 C78074 [1,1,0,0,0,0|0,0,0]=2 344 B11R1.1 CNCCC1=NC=C(Br)C=N1 AT18381 [1,1,0,0,0,0|2,0,0]=4 345 B11R1.1 COCCC1=CC=C(Br)C=C1 28244 [1,1,0,0,0,0|1,0,0]=3 346 B11R1.1 COCCC1=CC=C(N)C=C1 F11764 [1,1,0,0,0,0|1,0,0]=3 347 B11R1.1 CONCC1=CC=C(Br)C=C1 N11596 [1,1,0,0,0,0|2,0,0]=4 348 B11R1.1 ClC1=CC=C(CCCBr)C=C1 S11935 [1,1,0,0,0,0|2,0,0]=4 349 B11R1.1 N#CCCC1=CC=C(O)C=C1 C15091 [1,1,0,0,0,0|2,0,0]=4 350 B11R1.1 NCCCC1=CC=C(N)C=C1 C78351 [1,1,0,0,0,0|2,0,0]=4 351 B11R1.16 C#CC[C@H](O)C1=CC=CC=C1 W15219 [1,1,0,0,0,0|1,0,1]=4 352 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 N12265 [1,1,0,0,0,0|1,0,0]=3 353 B11R1.16 CNC[C@H](C)C1=CC=CC=C1 C11240 [1,1,0,0,0,0|0,0,0]=2 354 B11R1.16 CNC[C@H](O)C1=CC=CC=C1 C11214 [1,1,0,0,0,0|0,0,0]=2 355 B11R1.16 COC[C@H](N)C1=CC=CC=C1 AC6537 [1,1,0,0,0,0|1,0,0]=3 356 B11R1.16 NCC[C@H](N)C1=CC=CC=C1 N14729 [1,1,0,0,0,0|2,0,0]=4 357 B11R1.16 NCC[C@H](N)C1=CC=CC=C1 N14730 [1,1,0,0,0,0|2,0,0]=4 358 B11R1.16 OCC[C@H](O)C1=CC=CC=C1 C80043 [1,1,0,0,0,0|2,0,0]=4 359 B11R1.17 BrCCCC1=C(Br)C=CC=C1 C77748 [1,1,0,0,0,0|2,0,0]=4 360 B11R1.17 CCCOC1=C(N)C=CC=C1 AC7746 [1,1,0,0,0,0|2,0,0]=4 361 B11R1.17 CCNCC1=C(Cl)C=CC=C1 C16114 [1,1,0,0,0,0|2,0,0]=4 362 B11R1.17 CNCCC1=C(C)C=CC=C1 C78447 [1,1,0,0,0,0|0,0,0]=2 363 B11R1.17 CNCCC1=C(Cl)C=CC=C1 C78279 [1,1,0,0,0,0|0,0,0]=2 364 B11R1.17 ClC1=C(CCCBr)C=CC=C1 C78298 [1,1,0,0,0,0|2,0,0]=4 365 B11R1.17 NCCCC1=C(Cl)C=CC=C1 C78000 [1,1,0,0,0,0|2,0,0]=4 366 B11R1.17 NCCCC1=C(F)C=CC=C1 F20045 [1,1,0,0,0,0|2,0,0]=4 367 B11R1.28 CCCCNC1=CC=NC=C1 F21501 [1,1,0,0,0,0|2,0,0]=4 368 B11R1.28 CCNCCC1=CC=CC=C1 AC5622 [1,1,0,0,0,0|0,0,0]=2 369 B11R1.28 NNCCOC1=CC=CC=C1 AC4849 [1,1,0,0,0,0|1,0,0]=3 370 B11R1.28 NOCCOC1=CC=CC=C1 AT21707 [1,1,0,0,0,0|2,0,0]=4 371 B11R1.28 OCCCCC1=CC=NC=C1 31475 [1,1,0,0,0,0|2,0,0]=4 372 B11R1.40 CC[C@H](N)CC1=CC=CC=C1 74053 [1,1,0,0,0,0|1,0,0]=3 373 B11R1.40 CNC(=S)NC1=CC=CC=C1 T72207 [1,1,0,0,0,0|1,0,1]=4 374 B11R1.40 C[C@H](C=O)CC1=CC=CC=C1 F16111 [1,1,0,0,0,0|2,0,0]=4 375 B11R1.40 NC[C@@H](N)CC1=CC=CC=C1 N14383 [1,1,0,0,0,0|2,0,0]=4 376 B11R1.40 NC[C@@H](N)CC1=CC=CC=C1 N14384 [1,1,0,0,0,0|2,0,0]=4 377 B11R1.40 NC[C@@H](N)CC1=CC=CC=C1 N14385 [1,1,0,0,0,0|2,0,0]=4 378 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 C78372 [1,1,0,0,0,0|2,0,0]=4 379 B11R1.91 CC(=O)CCC1=CC=NC=C1 AT24518 [1,1,0,0,0,0|2,0,0]=4 380 B11R1.91 C[C@H](N)COC1=CC=CC=C1 N12753 [1,1,0,0,0,0|2,0,0]=4 381 B11R1.91 C[C@H](N)COC1=CC=CC=C1 N12763 [1,1,0,0,0,0|2,0,0]=4 382 B11R1.91 C[C@H](N)CSC1=CC=CC=C1 AT26670 [1,1,0,0,0,0|2,0,0]=4 383 B13R1.12 CC1=C(Cl)C=CC=C1[C@@H](N)CC#N N15100 [0,2,0,0,0,0|2,0,0]=4 384 B13R1.12 CC1=C(Cl)C=CC=C1[C@@H](N)CC#N N15101 [0,2,0,0,0,0|2,0,0]=4 385 B13R1.12 CC1=C(Cl)C=CC=C1[C@@H](N)CC#N N15102 [0,2,0,0,0,0|2,0,0]=4 386 B13R1.12 CCCC(=O)C1=CC=CC(Cl)=C1Cl N14075 [0,2,0,0,0,0|1,0,1]=4 387 B13R1.12 CCCC(=O)C1=CC=CC(Cl)=C1F N14017 [0,2,0,0,0,0|1,0,1]=4 388 B13R1.12 CCC[C@H](N)C1=C(C)C(C)=CC=C1 N11289 [0,2,0,0,0,0|2,0,0]=4 389 B13R1.12 CCC[C@H](N)C1=CC=CC(F)=C1F N11378 [0,2,0,0,0,0|1,1,0]=4 390 B13R1.12 N#CC[C@H](N)C1=CC=CC(Cl)=C1Cl N15048 [0,2,0,0,0,0|2,0,0]=4 391 B13R1.12 N#CC[C@H](N)C1=CC=CC(Cl)=C1Cl N15049 [0,2,0,0,0,0|2,0,0]=4 392 B13R1.12 N#CC[C@H](N)C1=CC=CC(Cl)=C1Cl N15050 [0,2,0,0,0,0|2,0,0]=4 393 B13R1.18 CCCCC(=O)C1=CC(C)=CC=C1 N13970 [0,2,0,0,0,0|2,0,0]=4 394 B13R1.18 CCCCC(=O)C1=CC(Cl)=NC=C1 N14280 [0,2,0,0,0,0|2,0,0]=4 395 B13R1.18 CCCCC(=O)C1=CC=CC(Br)=C1 N13964 [0,2,0,0,0,0|1,1,0]=4 396 B13R1.18 CCCCC(=O)C1=CC=CC(Cl)=C1 N13956 [0,2,0,0,0,0|1,0,0]=3 397 B13R1.18 CCCCC(=O)C1=NC=CC(Cl)=C1 N14250 [0,2,0,0,0,0|2,0,0]=4 398 B13R1.18 COCC[C@H](N)C1=CC(C)=CC=C1 N13830 [0,2,0,0,0,0|2,0,0]=4 399 B13R1.18 COCC[C@H](N)C1=CC=CC(Cl)=C1 N13827 [0,2,0,0,0,0|1,0,0]=3 400 B13R1.18 COCC[C@H](N)C1=CC=CC(F)=C1 N13796 [0,2,0,0,0,0|1,1,0]=4 401 B13R1.30 C#CC[C@](C)(O)C1=CC=CC(Cl)=C1 AC3864 [0,2,0,0,0,0|1,0,1]=4 402 B13R1.147 CC(C)C[C@H](N)C1=CC=CC(Br)=C1 N14471 [0,2,0,0,0,0|1,1,0]=4 403 B13R1.147 CC(C)C[C@H](N)C1=CC=CC(Cl)=C1 N14468 [0,2,0,0,0,0|1,0,0]=3 404 B13R1.147 CC(C)C[C@H](N)C1=CC=CC(Cl)=C1 N14469 [0,2,0,0,0,0|1,0,0]=3 405 B13R1.147 CC(C)C[C@H](N)C1=CC=CC(F)=C1 N14465 [0,2,0,0,0,0|1,1,0]=4 406 B13R1.147 CC1=CC=CC([C@@H](N)CC(C)C)=C1 N14475 [0,2,0,0,0,0|2,0,0]=4 407 B13R1.446 CCCC(=O)C1=C(Cl)C=CC(Cl)=C1 N14113 [0,2,0,0,0,0|1,0,1]=4 408 B13R1.446 CCC[C@H](N)C1=C(F)C=CC(F)=C1 N11166 [0,2,0,0,0,0|1,1,0]=4 409 B13R1.446 COC[C@H](N)C1=C(C)C=CC(C)=C1 Y12175 [0,2,0,0,0,0|2,0,0]=4 410 B13R1.446 COC[C@H](N)C1=C(Cl)C=CC(Br)=C1 Y12853 [0,2,0,0,0,0|1,1,0]=4 411 B13R1.446 COC[C@H](N)C1=C(Cl)C=CC(Br)=C1 Y12901 [0,2,0,0,0,0|1,1,0]=4 412 B13R1.446 COC[C@H](N)C1=C(Cl)C=CC(Br)=C1 Y12924 [0,2,0,0,0,0|1,1,0]=4 413 B13R1.446 N#CC[C@H](N)C1=C(Cl)C=CC(Cl)=C1 N15076 [0,2,0,0,0,0|2,0,0]=4 414 B13R1.446 N#CC[C@H](N)C1=C(Cl)C=CC(Cl)=C1 N15077 [0,2,0,0,0,0|2,0,0]=4 415 B13R1.446 N#CC[C@H](N)C1=C(Cl)C=CC(Cl)=C1 N15078 [0,2,0,0,0,0|2,0,0]=4 416 B13R1.446 N#CC[C@H](N)C1=C(F)C=CC(Cl)=C1 N14975 [0,2,0,0,0,0|2,0,0]=4 417 B13R1.446 N#CC[C@H](N)C1=C(F)C=CC(Cl)=C1 N14976 [0,2,0,0,0,0|2,0,0]=4 418 B13R1.446 N#CC[C@H](N)C1=C(F)C=CC(Cl)=C1 N14977 [0,2,0,0,0,0|2,0,0]=4 419 B13R1.450 CC1=CC(Cl)=CC([C@@H](N)CC#N)=C1 N15127 [0,2,0,0,0,0|2,0,0]=4 420 B13R1.450 CC1=CC(Cl)=CC([C@@H](N)CC#N)=C1 N15128 [0,2,0,0,0,0|2,0,0]=4 421 B13R1.450 CC1=CC(Cl)=CC([C@@H](N)CC#N)=C1 N15129 [0,2,0,0,0,0|2,0,0]=4 422 B13R1.450 CCCC(=O)C1=CC(Cl)=CC(Cl)=C1 N14090 [0,2,0,0,0,0|1,0,1]=4 423 B13R1.450 CCCC(=O)C1=CC(Cl)=CC(F)=C1 N14066 [0,2,0,0,0,0|1,0,1]=4 424 B13R1.450 CCC[C@H](N)C1=CC(C)=CC(F)=C1 N11369 [0,2,0,0,0,0|1,1,0]=4 425 B13R1.450 CCC[C@H](N)C1=CC(Cl)=CC(Cl)=C1 N11380 [0,2,0,0,0,0|1,0,0]=3 426 B13R1.450 CCC[C@H](N)C1=CC(F)=CC(F)=C1 N11286 [0,2,0,0,0,0|1,1,0]=4 427 B13R1.450 N#CC[C@H](N)C1=CC(Br)=CC(Cl)=C1 N15124 [0,2,0,0,0,0|2,0,0]=4 428 B13R1.450 N#CC[C@H](N)C1=CC(Br)=CC(Cl)=C1 N15125 [0,2,0,0,0,0|2,0,0]=4 429 B13R1.450 N#CC[C@H](N)C1=CC(Br)=CC(Cl)=C1 N15126 [0,2,0,0,0,0|2,0,0]=4 430 B13R1.450 N#CC[C@H](N)C1=CC(Cl)=CC(Cl)=C1 N15121 [0,2,0,0,0,0|2,0,0]=4 431 B13R1.450 N#CC[C@H](N)C1=CC(Cl)=CC(Cl)=C1 N15122 [0,2,0,0,0,0|2,0,0]=4 432 B13R1.450 N#CC[C@H](N)C1=CC(Cl)=CC(Cl)=C1 N15123 [0,2,0,0,0,0|2,0,0]=4 433 B13R1.450 N#CC[C@H](N)C1=CC(Cl)=CC(F)=C1 N15033 [0,2,0,0,0,0|2,0,0]=4 434 B13R1.450 N#CC[C@H](N)C1=CC(Cl)=CC(F)=C1 N15034 [0,2,0,0,0,0|2,0,0]=4 435 B13R1.450 N#CC[C@H](N)C1=CC(Cl)=CC(F)=C1 N15035 [0,2,0,0,0,0|2,0,0]=4 436 B13R1.450 N[C@@H](CCO)C1=CC(Cl)=CC(Cl)=C1 N12812 [0,2,0,0,0,0|2,0,0]=4 437 B13R1.450 N[C@@H](CCO)C1=CC(Cl)=CC(Cl)=C1 N14371 [0,2,0,0,0,0|2,0,0]=4 438 B13R1.460 COC[C@H](N)C1=CC=CC(OC)=C1 N12800 [0,2,0,0,0,0|2,0,0]=4 439 B13R1.466 CC1=C(Cl)C=C([C@@H](N)CC#N)C=C1 N15109 [0,2,0,0,0,0|2,0,0]=4 440 B13R1.466 CC1=C(Cl)C=C([C@@H](N)CC#N)C=C1 N15110 [0,2,0,0,0,0|2,0,0]=4 441 B13R1.466 CC1=C(Cl)C=C([C@@H](N)CC#N)C=C1 N15111 [0,2,0,0,0,0|2,0,0]=4 442 B13R1.466 CCCC(=O)C1=CC(Cl)=C(C)C=C1 N14085 [0,2,0,0,0,0|1,0,1]=4 443 B13R1.466 CCCC(=O)C1=CC(Cl)=C(Cl)C=C1 N12526 [0,2,0,0,0,0|1,0,1]=4 444 B13R1.466 CCC[C@H](N)C1=CC(C)=C(C)C=C1 N11171 [0,2,0,0,0,0|2,0,0]=4 445 B13R1.466 CCC[C@H](N)C1=CC(C)=C(F)C=C1 N11204 [0,2,0,0,0,0|2,0,0]=4 446 B13R1.466 CCC[C@H](N)C1=CC(F)=C(F)C=C1 N11161 [0,2,0,0,0,0|1,1,0]=4 447 B13R1.466 CNC[C@H](O)C1=CC(O)=C(O)C=C1 D95540 [0,2,0,0,0,0|1,0,0]=3 448 B13R1.466 COC[C@H](N)C1=CC(F)=C(F)C=C1 N13033 [0,2,0,0,0,0|1,1,0]=4 449 B13R1.466 N#CC[C@H](N)C1=CC(Cl)=C(Br)C=C1 N15106 [0,2,0,0,0,0|2,0,0]=4 450 B13R1.466 N#CC[C@H](N)C1=CC(Cl)=C(Br)C=C1 N15107 [0,2,0,0,0,0|2,0,0]=4 451 B13R1.466 N#CC[C@H](N)C1=CC(Cl)=C(Br)C=C1 N15108 [0,2,0,0,0,0|2,0,0]=4 452 B13R1.466 N#CC[C@H](N)C1=CC(Cl)=C(Cl)C=C1 N15103 [0,2,0,0,0,0|2,0,0]=4 453 B13R1.466 N#CC[C@H](N)C1=CC(Cl)=C(Cl)C=C1 N15104 [0,2,0,0,0,0|2,0,0]=4 454 B13R1.466 N#CC[C@H](N)C1=CC(Cl)=C(Cl)C=C1 N15105 [0,2,0,0,0,0|2,0,0]=4 455 B13R1.466 N[C@@H](CCO)C1=CC(Cl)=C(Cl)C=C1 N12888 [0,2,0,0,0,0|2,0,0]=4 456 B13R1.466 O[C@@H](CCCl)C1=CC(Cl)=C(Cl)C=C1 58146 [0,2,0,0,0,0|2,0,0]=4 457 B13R1.150 O=C(O)CCC1=CC=CC(Cl)=C1F Y11513 [0,2,0,0,0,0|2,0,0]=4 458 B13R1.150 O=C(O)CCC1=CC=CC(Cl)=C1I 93251 [0,2,0,0,0,0|2,0,0]=4 459 B13R1.6 BrCCCCOC1=CC=CC(Br)=C1 97813 [0,2,0,0,0,0|1,1,0]=4 460 B13R1.6 CCCCNCC1=CC(C)=CC=C1 C78344 [0,2,0,0,0,0|2,0,0]=4 461 B13R1.6 CCCCNCC1=CC=CC(Br)=C1 C78341 [0,2,0,0,0,0|1,1,0]=4 462 B13R1.6 CCCCNCC1=CC=CC(Cl)=C1 C77945 [0,2,0,0,0,0|1,0,0]=3 463 B13R1.6 CCCCNCC1=CC=CC(F)=C1 C78338 [0,2,0,0,0,0|1,1,0]=4 464 B13R1.6 CCOCCOC1=CC=CC(Br)=C1 N11546 [0,2,0,0,0,0|1,1,0]=4 465 B13R1.6 COCCCOC1=CC(N)=CC=C1 F13498 [0,2,0,0,0,0|2,0,0]=4 466 B13R1.6 ClC1=CC=CC(OCCCCBr)=C1 97803 [0,2,0,0,0,0|1,0,0]=3 467 B13R1.20 CCCC(=O)CC1=CC(C)=CC=C1 N14167 [0,2,0,0,0,0|2,0,0]=4 468 B13R1.20 CCCC(=O)CC1=CC=CC(Br)=C1 N14159 [0,2,0,0,0,0|1,1,0]=4 469 B13R1.20 CCCC(=O)CC1=CC=CC(Cl)=C1 N14151 [0,2,0,0,0,0|1,0,0]=3 470 B13R1.20 CCCC(=O)CC1=CC=CC(F)=C1 N14138 [0,2,0,0,0,0|1,1,0]=4 471 B13R1.20 CCC[C@H](N)CC1=CC(C)=CC=C1 N14537 [0,2,0,0,0,0|2,0,0]=4 472 B13R1.20 CCC[C@H](N)CC1=CC=CC(Br)=C1 N14533 [0,2,0,0,0,0|1,1,0]=4 473 B13R1.20 CCC[C@H](N)CC1=CC=CC(Cl)=C1 N14528 [0,2,0,0,0,0|1,0,0]=3 474 B13R1.20 CCC[C@H](N)CC1=CC=CC(F)=C1 N14525 [0,2,0,0,0,0|1,1,0]=4 475 B13R1.20 N#CCC(=O)CC1=CC=CC(Cl)=C1 93638 [0,2,0,0,0,0|2,0,0]=4 476 B13R1.55 CCCCOC1=CC(F)=CC(F)=C1 75697 [0,2,0,0,0,0|1,1,0]=4 477 B13R1.55 ClCCNCC1=CC(Cl)=CC(Cl)=C1 C14717 [0,2,0,0,0,0|2,0,0]=4 478 B13R1.149 NC(=O)NCCC1=CC(O)=CC=C1 E72610 [0,2,0,0,0,0|1,0,1]=4 479 B13R1.149 O=C(O)CNCC1=CC=CC(Cl)=C1 W19303 [0,2,0,0,0,0|2,0,0]=4 480 B13R1.666 CCCCOC1=CC=CC(C=O)=C1 S11902 [0,2,0,0,0,0|2,0,0]=4 481 B13R1.666 CCCNCC1=CC=CC(OC)=C1 C78449 [0,2,0,0,0,0|2,0,0]=4 482 B13R1.666 CNCCCC1=CC=CC(OC)=C1 C77751 [0,2,0,0,0,0|1,0,0]=3 483 B13R1.669 CNCCCC1=CC(F)=C(F)C=C1 C78235 [0,2,0,0,0,0|0,1,0]=3 484 B13R1.81 CC[C@H](N)CC1=CC=CC(OC)=C1 N14539 [0,2,0,0,0,0|2,0,0]=4 485 B13R1.148 CC(C)[C@@H](N)CC1=CC=CC(Br)=C1 N14534 [0,2,0,0,0,0|1,1,0]=4 486 B13R1.148 CC(C)[C@@H](N)CC1=CC=CC(Cl)=C1 N14530 [0,2,0,0,0,0|1,0,0]=3 487 B13R1.148 CC(C)[C@@H](N)CC1=CC=CC(F)=C1 N14523 [0,2,0,0,0,0|1,1,0]=4 488 B13R1.2872 COC(=O)CC1=C(C)C=CC(Cl)=C1 D96910 [0,2,0,0,0,0|1,0,1]=4 489 B13R1.2879 COC(=O)CC1=CC(Cl)=C(Br)C=C1 93734 [0,2,0,0,0,0|1,0,1]=4 490 B13R1.2879 N[C@H](CO)CC1=CC(Cl)=C(Cl)C=C1 C78142 [0,2,0,0,0,0|2,0,0]=4 491 B13R1.2879 N[C@H](CO)CC1=CC(Cl)=C(Cl)C=C1 C78174 [0,2,0,0,0,0|2,0,0]=4 492 B13R1.136 CCCCC1=CC(F)=C(O)C(F)=C1 36958 [0,2,0,0,0,0|1,1,0]=4 493 B13R1.3420 O=C(O)CCC1=CC(Br)=CC(Cl)=C1 F52882 [0,2,0,0,0,0|2,0,0]=4 494 B13R1.3420 O=C(O)CCC1=CC(Cl)=CC(F)=C1 F52875 [0,2,0,0,0,0|2,0,0]=4 495 B13R1.511 CC(=O)CCC1=CC(Cl)=C(Cl)C=C1 W12660 [0,2,0,0,0,0|1,0,0]=3 496 B13R1.511 O=C(O)CCC1=CC(Cl)=C(Br)C=C1 F52872 [0,2,0,0,0,0|2,0,0]=4 497 B13R1.511 O=C(O)CCC1=CC(Cl)=C(F)C=C1 F52870 [0,2,0,0,0,0|2,0,0]=4 498 B13R1.511 O=C(O)CCC1=CC(Cl)=C(O)C=C1 F52918 [0,2,0,0,0,0|2,0,0]=4 499 B13R1.838 CC(C)(C)NCC1=CC=CC(Cl)=C1 C78546 [0,2,0,0,0,0|2,0,0]=4 500 B13R1.568 CNCCC1=CC=CC(C(=O)O)=C1 CS3246 [0,2,0,0,0,0|1,0,0]=3 501 B13R1.568 CNCCC1=CC=CC(C(=O)O)=C1 CS3249 [0,2,0,0,0,0|1,0,0]=3 502 B11R2.35 CC1=CC(C2CC2)=NC=C1 AC9117 [1,0,0,1,0,0|2,0,0]=4 503 B11R2.35 CC1=CC=CC(C2CC2)=C1 AC9451 [1,0,0,1,0,0|1,0,0]=3 504 B11R2.35 CC1=CC=CC(C2CC2)=N1 AC9039 [1,0,0,1,0,0|2,0,0]=4 505 B11R2.35 ClC1=CC(C2CC2)=CC=C1 97830 [1,0,0,1,0,0|0,0,0]=2 506 B11R2.35 ClC1=NC=NC(C2CC2)=C1 96952 [1,0,0,1,0,0|2,0,0]=4 507 B11R2.35 NC1=CC(C2CC2)=CN=C1 S11509 [1,0,0,1,0,0|2,0,0]=4 508 B11R2.35 NC1=CC(C2CC2)=NC=C1 F52584 [1,0,0,1,0,0|2,0,0]=4 509 B11R2.35 NC1=NC(C2CC2)=CC=C1 AT24911 [1,0,0,1,0,0|2,0,0]=4 510 B11R2.35 OC1=CC(C2CC2)=CC=C1 97835 [1,0,0,1,0,0|1,0,0]=3 511 B11R2.35 OC1=CC(C2CC2)=NC=C1 55360 [1,0,0,1,0,0|2,0,0]=4 512 B11R2.36 CC1=CC2=C(C=C1)CNC2 71833 [1,0,0,1,0,0|1,0,0]=3 513 B11R2.36 CC1=CC2=C(C=C1)CNC2 W10108 [1,0,0,1,0,0|1,0,0]=3 514 B11R2.36 CC1=NC=C2CNCC2=C1 F17653 [1,0,0,1,0,0|2,0,0]=4 515 B11R2.36 CC1=NC=C2CNCC2=C1 S11542 [1,0,0,1,0,0|2,0,0]=4 516 B11R2.36 ClC1=CN=C2CNCC2=C1 F19783 [1,0,0,1,0,0|1,0,0]=3 517 B11R2.36 FC1=CC2=C(C=C1)CCC2 36515 [1,0,0,1,0,0|0,1,0]=3 518 B11R2.36 IC1=CC2=C(C=C1)CCC2 C12643 [1,0,0,1,0,0|0,1,0]=3 519 B11R2.36 IC1=CC2=C(C=C1)CNC2 32000 [1,0,0,1,0,0|0,1,0]=3 520 B11R2.36 NC1=CC2=C(C=C1)CNC2 SC4171 [1,0,0,1,0,0|1,0,0]=3 521 B11R2.36 NC1=CC2=C(C=C1)OCC2 88994 [1,0,0,1,0,0|2,0,0]=4 522 B11R2.36 NC1=CN=C2CCCC2=C1 F30816 [1,0,0,1,0,0|2,0,0]=4 523 B11R2.36 OC1=CN=C2CCCC2=C1 F30817 [1,0,0,1,0,0|2,0,0]=4 524 B11R2.36 OC1=NC2=C(C=C1)CCC2 20278 [1,0,0,1,0,0|2,0,0]=4 525 B11R2.106 BrC1=C2CCCC2=NC=C1 F53407 [1,0,0,1,0,0|1,1,0]=4 526 B11R2.106 BrC1=C2CCOC2=CC=C1 F12556 [1,0,0,1,0,0|1,1,0]=4 527 B11R2.106 BrC1=NC=CC2=C1CNC2 D97047 [1,0,0,1,0,0|1,1,0]=4 528 B11R2.106 CC1=CC=CC2=C1CNC2 W10109 [1,0,0,1,0,0|1,0,0]=3 529 B11R2.106 ClC1=C2CCCC2=CC=C1 N13077 [1,0,0,1,0,0|0,0,0]=2 530 B11R2.106 ClC1=C2CCOC2=NC=C1 97228 [1,0,0,1,0,0|2,0,0]=4 531 B11R2.106 ClC1=C2CNCC2=CC=C1 FD13081 [1,0,0,1,0,0|0,0,0]=2 532 B11R2.106 ClC1=C2CNCC2=NC=C1 S11449 [1,0,0,1,0,0|1,0,0]=3 533 B11R2.106 ClC1=C2OCCC2=CC=C1 F53809 [1,0,0,1,0,0|1,0,0]=3 534 B11R2.106 FC1=C2NCCC2=CC=C1 C73504 [1,0,0,1,0,0|0,1,0]=3 535 B11R2.106 IC1=C2CCOC2=CC=C1 E72245 [1,0,0,1,0,0|1,1,0]=4 536 B11R2.1 C[C@H]1CNC2=C1C=CC=C2 W18948 [1,0,0,1,0,0|2,0,0]=4 537 B11R2.1 N[C@H]1CCC2=C1C=CC=C2 41003 [1,0,0,1,0,0|2,0,0]=4 538 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 C14923 [1,0,0,1,0,0|2,0,0]=4 539 B11R2.20 C1=CN=C2CNCCC2=C1 P10652 [1,0,0,1,0,0|1,0,0]=3 540 B11R2.20 C1=NC=C2CCNCC2=N1 P19161 [1,0,0,1,0,0|2,0,0]=4 541 B11R2.239 C1=CC(C2CNC2)=NC=N1 74669 [1,0,0,1,0,0|2,0,0]=4 542 B11R2.239 C1=CC=C(C2CCC2)C=C1 F52090 [1,0,0,1,0,0|1,0,0]=3 543 B11R2.239 C1=CC=C([C@@H]2CCN2)C=C1 A50749 [1,0,0,1,0,0|2,0,0]=4 544 B11R2.239 C1=CN=C(C2CNC2)C=C1 F31095 [1,0,0,1,0,0|1,0,0]=3 545 B11R2.988 NC[C@H]1CC2=C1C=CC=C2 AT20374 [1,0,0,1,0,0|2,0,0]=4 546 B11R2.988 OC[C@H]1CC2=C1C=CC=C2 67862 [1,0,0,1,0,0|2,0,0]=4 547 B11R2.10 NC1=CC2=C(CCNC2)S1 F18457 [0,0,0,1,1,0|2,0,0]=4 548 B11R2.352 ClC1=CN(C2CNC2)N=C1 AT19013 [0,0,0,1,1,0|2,0,0]=4 549 B13R2.13 CC1=CC=CC([C@H]2CCNC2)=C1 N11129 [0,1,0,1,0,0|1,0,0]=3 550 B13R2.13 ClC1=CC(C2OCCO2)=CC=C1 F12694 [0,1,0,1,0,0|2,0,0]=4 551 B13R2.13 ClC1=CC([C@@H]2CCCN2)=NC=C1 N14942 [0,1,0,1,0,0|2,0,0]=4 552 B13R2.13 ClC1=CC([C@H]2CCNC2)=CC=C1 65735 [0,1,0,1,0,0|0,0,0]=2 553 B13R2.13 ClC1=CC([C@H]2CCNC2)=CC=C1 65737 [0,1,0,1,0,0|0,0,0]=2 554 B13R2.13 ClC1=CC([C@H]2CCNC2)=CC=C1 65767 [0,1,0,1,0,0|0,0,0]=2 555 B13R2.13 ClC1=CC([C@H]2CCNC2)=CC=C1 N10839 [0,1,0,1,0,0|0,0,0]=2 556 B13R2.13 ClC1=NC([C@@H]2CCCN2)=CC=C1 N10912 [0,1,0,1,0,0|2,0,0]=4 557 B13R2.13 ClC1=NC=CC([C@@H]2CCCN2)=C1 N11341 [0,1,0,1,0,0|2,0,0]=4 558 B13R2.13 FC1=CC([C@H]2CCNC2)=CC=C1 65739 [0,1,0,1,0,0|0,1,0]=3 559 B13R2.13 FC1=CC([C@H]2CCNC2)=CC=C1 65741 [0,1,0,1,0,0|0,1,0]=3 560 B13R2.13 FC1=CC([C@H]2CCNC2)=CC=C1 N11081 [0,1,0,1,0,0|0,1,0]=3 561 B13R2.13 FC1=CN=CC([C@H]2CCNC2)=C1 C93388 [0,1,0,1,0,0|1,1,0]=4 562 B13R2.13 NC1=CC=CC([C@@H]2CCCN2)=C1 N14348 [0,1,0,1,0,0|2,0,0]=4 563 B13R2.13 OC1=CC([C@@H]2CCCN2)=CC=C1 I11612 [0,1,0,1,0,0|2,0,0]=4 564 B13R2.151 O=C1CC(C2=CC=CC(F)=C2)C1 91864 [0,1,0,1,0,0|1,1,0]=4 565 B13R2.151 O[C@H]1C[C@H](C2=CC=CC(Br)=C2)C1 91840 [0,1,0,1,0,0|1,1,0]=4 566 B13R2.151 O[C@H]1C[C@H](C2=CC=CC(F)=C2)C1 91841 [0,1,0,1,0,0|1,1,0]=4 567 B13R2.162 N[C@H]1CCCC2=C1C=C(F)C=C2 N11009 [0,1,0,1,0,0|1,1,0]=4 568 B13R2.162 N[C@H]1CCCC2=C1C=C(F)C=C2 N11074 [0,1,0,1,0,0|1,1,0]=4 569 B13R2.162 N[C@H]1CCCC2=C1C=C(F)C=C2 N13129 [0,1,0,1,0,0|1,1,0]=4 570 B13R2.162 N[C@H]1CSCC2=C1C=C(Br)C=C2 SC2421 [0,1,0,1,0,0|1,1,0]=4 571 B13R2.162 O=C1CCC2=CC=CC(F)=C2C1 Y10670 [0,1,0,1,0,0|1,1,0]=4 572 B13R2.162 OC1=CC2=C(C=C1)CNC[C@@H]2O C16747 [0,1,0,1,0,0|1,0,0]=3 573 B13R2.162 O[C@H]1CCCC2=C1C=C(Cl)C=C2 N13025 [0,1,0,1,0,0|1,0,0]=3 574 B13R2.162 O[C@H]1CCCC2=C1C=C(F)C=C2 N14444 [0,1,0,1,0,0|1,1,0]=4 575 B13R2.162 O[C@H]1CCCC2=C1N=C(Cl)C=C2 D80151 [0,1,0,1,0,0|2,0,0]=4 576 B13R2.162 O[C@H]1CCOC2=C1C=C(Cl)C=C2 N14456 [0,1,0,1,0,0|2,0,0]=4 577 B13R2.342 N[C@H]1CCCC2=C(Br)C=CC=C21 F16889 [0,1,0,1,0,0|1,1,0]=4 578 B13R2.342 N[C@H]1CCCC2=C(Cl)C=CC=C21 I10729 [0,1,0,1,0,0|1,0,0]=3 579 B13R2.342 N[C@H]1CCCC2=C(O)C=CC=C21 N12814 [0,1,0,1,0,0|2,0,0]=4 580 B13R2.342 N[C@H]1CCOC2=C(Cl)C=CC=C21 N12845 [0,1,0,1,0,0|2,0,0]=4 581 B13R2.342 O[C@H]1CCCC2=C(Cl)C=CC=C21 N14445 [0,1,0,1,0,0|1,0,0]=3 582 B13R2.342 O[C@H]1CCCC2=C(F)C=CC=C21 E72763 [0,1,0,1,0,0|1,1,0]=4 583 B13R2.342 O[C@H]1CCOC2=C(Cl)C=CC=C21 N12789 [0,1,0,1,0,0|2,0,0]=4 584 B13R2.3018 CC1=CC=CC(C2(N)COC2)=C1 59772 [0,1,0,1,0,0|2,0,0]=4 585 B13R2.3018 NC1(C2=CC=CC(Cl)=C2)CNC1 59781 [0,1,0,1,0,0|0,0,0]=2 586 B13R2.3018 NC1(C2=CC=CC(F)=C2)CCC1 28206 [0,1,0,1,0,0|1,1,0]=4 587 B13R2.3018 NC1(C2=CC=CC(F)=C2)CCC1 69061 [0,1,0,1,0,0|1,1,0]=4 588 B13R2.3018 OC1(C2=CC(Cl)=NC=C2)COC1 80834 [0,1,0,1,0,0|2,0,0]=4 589 B13R2.3018 OC1(C2=CC=CC(Br)=C2)CNC1 AT12573 [0,1,0,1,0,0|0,1,0]=3 590 B13R2.32 FC1=C(Cl)C=CC2=C1CCNC2 84514 [0,1,0,1,0,0|0,0,0]=2 591 B13R2.32 FC1=C(F)C2=C(C=C1)CNCC2 AT19623 [0,1,0,1,0,0|0,1,0]=3 592 B13R2.32 FC1=C(F)C2=C(C=C1)CNCC2 AT19624 [0,1,0,1,0,0|0,1,0]=3 593 B13R2.32 OC1=CC=C2CCCOC2=C1Cl 90438 [0,1,0,1,0,0|2,0,0]=4 594 B13R2.4820 BrC1=C2NCCCCC2=CC=C1 AT10609 [0,1,0,1,0,0|1,1,0]=4 595 B13R2.5180 N[C@H]1CCC2=C1C=CC(Cl)=C2Br Y12767 [0,1,0,1,0,0|2,0,0]=4 596 B13R2.5180 N[C@H]1CCC2=C1C=CC(Cl)=C2Br Y12786 [0,1,0,1,0,0|2,0,0]=4 597 B13R2.5180 N[C@H]1CCC2=C1C=CC(Cl)=C2Br Y12809 [0,1,0,1,0,0|2,0,0]=4 598 B13R2.5180 N[C@H]1CCC2=C1C=CC(Cl)=C2Cl N11000 [0,1,0,1,0,0|2,0,0]=4 599 B13R2.5180 N[C@H]1CCC2=C1C=CC(Cl)=C2Cl N12982 [0,1,0,1,0,0|2,0,0]=4 600 B13R2.5180 N[C@H]1CCC2=C1C=CC(Cl)=C2Cl Y11817 [0,1,0,1,0,0|2,0,0]=4 601 B13R2.5180 O=C1CCC2=C1C=CC(Cl)=C2I 93252 [0,1,0,1,0,0|2,0,0]=4 602 B13R2.5180 O[C@H]1CCC2=C1C=CC(Cl)=C2Cl N14442 [0,1,0,1,0,0|2,0,0]=4 603 B13R2.3729 BrC1=CC2=C(C=C1)CCCNC2 D85465 [0,1,0,1,0,0|1,1,0]=4 604 B13R2.3729 BrC1=CC2=C(C=C1)CCCOC2 F52895 [0,1,0,1,0,0|1,1,0]=4 605 B13R2.3729 BrC1=CC2=C(C=C1)CNCCO2 AT22674 [0,1,0,1,0,0|0,1,0]=3 606 B13R2.3729 BrC1=CC2=C(C=C1)COCCO2 F53181 [0,1,0,1,0,0|1,1,0]=4 607 B13R2.3729 BrC1=CC2=C(C=C1)NCCCC2 AT10607 [0,1,0,1,0,0|1,1,0]=4 608 B13R2.3729 ClC1=CC2=C(C=C1)OCCNC2 AT15335 [0,1,0,1,0,0|2,0,0]=4 609 B13R2.3729 ClC1=CC2=C(C=C1)OCCNC2 AT15373 [0,1,0,1,0,0|2,0,0]=4 610 B13R2.3729 ClC1=NC2=C(C=C1)CCNCC2 P11147 [0,1,0,1,0,0|1,0,0]=3 611 B13R2.3729 FC1=CC2=C(C=C1)CCCNC2 51232 [0,1,0,1,0,0|1,1,0]=4 612 B13R2.3729 NC1=CC2=C(C=C1)CCCCN2 32131 [0,1,0,1,0,0|2,0,0]=4 613 B13R2.3729 OC1=CC2=C(C=C1)CCCNC2 C90439 [0,1,0,1,0,0|2,0,0]=4 614 B13R2.3729 OC1=CC2=C(C=C1)CCNCC2 85919 [0,1,0,1,0,0|1,0,0]=3 615 B13R2.3729 OC1=CC2=C(C=C1)CCNCC2 P20370 [0,1,0,1,0,0|1,0,0]=3 616 B13R2.4818 CN1CCCC2=CC=CC(O)=C21 P11599 [0,1,0,1,0,0|1,0,0]=3 617 B13R2.4818 CN1CCOC2=C1C(N)=CC=C2 AT20455 [0,1,0,1,0,0|1,0,0]=3 618 B13R2.5179 C[C@@H]1NCCC2=C1C=CC(F)=C2 AT19619 [0,1,0,1,0,0|0,1,0]=3 619 B13R2.5179 C[C@@H]1NCCC2=C1C=CC(F)=C2 AT19620 [0,1,0,1,0,0|0,1,0]=3 620 B13R2.5179 NC1=CC2=C(C=C1)C(=O)NCC2 CS1458 [0,1,0,1,0,0|1,0,1]=4 621 B13R2.5179 NC1=CC2=C(C=C1)[C@@H](O)CCC2 S11524 [0,1,0,1,0,0|2,0,0]=4 622 B13R2.5179 N[C@H]1CCCC2=C1C=CC(F)=C2 N12720 [0,1,0,1,0,0|1,1,0]=4 623 B13R2.5179 N[C@H]1CCCC2=C1C=CC(I)=C2 W15956 [0,1,0,1,0,0|1,1,0]=4 624 B13R2.5179 N[C@H]1CCCC2=C1C=CC(O)=C2 N13166 [0,1,0,1,0,0|2,0,0]=4 625 B13R2.5179 N[C@H]1CCOC2=C1C=CC(Cl)=C2 N13012 [0,1,0,1,0,0|2,0,0]=4 626 B13R2.5179 N[C@H]1COCC2=C1C=CC(Cl)=C2 D79931 [0,1,0,1,0,0|2,0,0]=4 627 B13R2.5179 N[C@H]1COCC2=C1C=CC(Cl)=C2 D79932 [0,1,0,1,0,0|2,0,0]=4 628 B13R2.5179 O=C1CCNC2=C1C=CC(Cl)=C2 Y10680 [0,1,0,1,0,0|2,0,0]=4 629 B13R2.5179 O[C@H]1CCCC2=C1C=CC(Cl)=C2 N14446 [0,1,0,1,0,0|1,0,0]=3 630 B13R2.5331 FC1=CC(OC[C@H]2CO2)=CC=C1 28186 [0,1,0,1,0,0|1,1,0]=4 631 B13R2.155 C[C@H]1CC2=C(C=CC(F)=C2)CN1 AT19622 [0,1,0,1,0,0|0,1,0]=3 632 B13R2.155 C[C@H]1CC2=C(C=CC(N)=C2)CN1 F13589 [0,1,0,1,0,0|1,0,0]=3 633 B13R2.155 NC1=CC2=C(C=C1)CC[C@H](O)C2 94668 [0,1,0,1,0,0|2,0,0]=4 634 B13R2.155 N[C@@H]1COC2=C(C=C(Cl)C=C2)C1 E72383 [0,1,0,1,0,0|2,0,0]=4 635 B13R2.155 N[C@@H]1COC2=C(C=C(Cl)C=C2)C1 W14985 [0,1,0,1,0,0|2,0,0]=4 636 B13R2.155 O[C@H]1CCC2=C(C=C(Br)C=C2)C1 94667 [0,1,0,1,0,0|1,1,0]=4 637 B13R2.4856 CC1=NC2=CC=CC(Cl)=C2N1C 91611 [0,1,0,1,0,0|1,0,1]=4 638 B13R2.4856 C[C@H]1CC2=CC=CC(Cl)=C2C1=O N14229 [0,1,0,1,0,0|2,0,0]=4 639 B13R2.5190 C[C@H]1CC2=C(C=CC(Cl)=C2)C1=O N13213 [0,1,0,1,0,0|2,0,0]=4 640 B13R2.140 ClC1=CC(C2CNC2)=CC(Cl)=N1 91953 [0,1,0,1,0,0|1,0,0]=3 641 B13R2.328 CC1=CC(F)=CC2=C1CNCC2 AT19621 [0,1,0,1,0,0|0,1,0]=3 642 B13R2.328 CC1=CC(O)=CC2=C1CNCC2 E71293 [0,1,0,1,0,0|1,0,0]=3 643 B13R2.328 FC1=C2CNCCC2=CC(Br)=C1 90660 [0,1,0,1,0,0|0,1,0]=3 644 B13R2.328 FC1=CC(F)=C2CNCCC2=C1 AT19600 [0,1,0,1,0,0|0,1,0]=3 645 B13R2.11642 CC1=C2C(=O)CCC2=CC(Cl)=C1 F52803 [0,1,0,1,0,0|2,0,0]=4 646 B13R2.11642 O=C1CCC2=CC(Cl)=CC(Br)=C12 F52758 [0,1,0,1,0,0|2,0,0]=4 647 B13R2.11642 O[C@H]1CCC2=CC(Cl)=CC(Cl)=C21 N13072 [0,1,0,1,0,0|2,0,0]=4 648 B13R2.3683 CN1CCC2=C(C=CC(Br)=C2)C1 98419 [0,1,0,1,0,0|0,1,0]=3 649 B13R2.3683 CN1CCC2=C(C=NC(Cl)=N2)C1 96017 [0,1,0,1,0,0|2,0,0]=4 650 B13R2.3683 C[C@H]1CCC2=C(C=CC(F)=C2)N1 51483 [0,1,0,1,0,0|1,1,0]=4 651 B13R2.3683 C[C@H]1CCC2=C(C=CC(F)=C2)N1 51485 [0,1,0,1,0,0|1,1,0]=4 652 B13R2.3683 C[C@H]1CNC2=C(C=CC(Cl)=C2)O1 77474 [0,1,0,1,0,0|2,0,0]=4 653 B13R2.371 ClC1=C2CNCCC2=C(Br)C=C1 33428 [0,1,0,1,0,0|0,0,0]=2 654 B13R2.5151 N[C@H]1CCC2=C(F)C=CC(Cl)=C21 N11389 [0,1,0,1,0,0|2,0,0]=4 655 B13R2.5151 O=C1CCC2=C(F)C=CC(Cl)=C12 I10764 [0,1,0,1,0,0|2,0,0]=4 656 B13R2.5151 O[C@H]1CCC2=C(Cl)C=CC(Cl)=C21 N14443 [0,1,0,1,0,0|2,0,0]=4 657 B13R2.57 COC1=CC2=C(C=C1)COCC2 N14608 [0,1,0,1,0,0|2,0,0]=4 658 B13R2.57 O=CC1=CC2=C(C=C1)COCC2 94695 [0,1,0,1,0,0|2,0,0]=4 659 B13R2.57 OCC1=CC2=C(C=C1)CNCC2 W14964 [0,1,0,1,0,0|1,0,0]=3 660 B13R2.1613 N#CC1=C2CNCCC2=CC=C1 P11020 [0,1,0,1,0,0|1,0,0]=3 661 B13R2.3790 N[C@H]1CCC2=C1C(Cl)=C(Cl)C=C2 N11390 [0,1,0,1,0,0|2,0,0]=4 662 B13R2.11634 CC1=C(Cl)C=C2CCC(=O)C2=C1 F52802 [0,1,0,1,0,0|2,0,0]=4 663 B13R2.11634 N[C@H]1CCC2=CC(Cl)=C(Br)C=C21 N11329 [0,1,0,1,0,0|2,0,0]=4 664 B13R2.11634 N[C@H]1CCC2=CC(Cl)=C(Br)C=C21 N11330 [0,1,0,1,0,0|2,0,0]=4 665 B13R2.11634 N[C@H]1CCC2=CC(Cl)=C(Br)C=C21 N11358 [0,1,0,1,0,0|2,0,0]=4 666 B13R2.11634 N[C@H]1CCC2=CC(Cl)=C(Cl)C=C21 N11002 [0,1,0,1,0,0|2,0,0]=4 667 B13R2.11634 N[C@H]1CCC2=CC(Cl)=C(Cl)C=C21 N11003 [0,1,0,1,0,0|2,0,0]=4 668 B13R2.11634 N[C@H]1CCC2=CC(Cl)=C(Cl)C=C21 N11004 [0,1,0,1,0,0|2,0,0]=4 669 B9R1.7 CC1=CC=C(CCN)S1 31616 [1,0,0,0,1,0|2,0,0]=4 670 B9R1.7 CC1=CSC(CCN)=C1 96997 [1,0,0,0,1,0|2,0,0]=4 671 B9R1.7 CNCC1=CC=C(C)S1 75578 [1,0,0,0,1,0|2,0,0]=4 672 B9R1.7 CNCC1=CNC(Br)=C1 F13038 [1,0,0,0,1,0|1,1,0]=4 673 B9R1.7 NNCC1=CC=C(Cl)S1 P10520 [1,0,0,0,1,0|2,0,0]=4 674 B9R1.12 CNCCC1=CC=CS1 AT16732 [1,0,0,0,1,0|1,0,0]=3 675 B9R1.12 CNCCC1=CN=CN1 D86292 [1,0,0,0,1,0|2,0,0]=4