0 B16R2.2256 C1=CC(CCCC2=CC=NC=C2)=CC=N1 053308 [0,0,0,0,0,0|3,0,0]=3 1 B16R2.2256 C1=CC=C(CCCC2=CC=NC=C2)C=C1 431263 [0,0,0,0,0,0|2,0,0]=2 2 B16R2.2256 C1=CC=C(CCSC2=CC=CC=C2)C=C1 099231 [0,0,0,0,0,0|2,0,0]=2 3 B16R2.2256 C1=CC=C(CNCC2=CC=CC=C2)C=C1 235564 [0,0,0,0,0,0|1,0,0]=1 4 B16R2.2256 C1=CC=C(COCC2=CC=CC=C2)C=C1 240932 [0,0,0,0,0,0|0,0,0]=0 5 B16R2.2256 C1=CC=C(CSCC2=CC=CC=C2)C=C1 099775 [0,0,0,0,0,0|0,1,0]=1 6 B16R2.2256 C1=CC=C(C\N=C\C2=CC=CN=C2)C=C1 227458 [0,0,0,0,0,0|2,0,1]=3 7 B16R2.2256 C1=CC=C(SCSC2=CC=CC=C2)C=C1 003674 [0,0,0,0,0,0|3,0,0]=3 8 B16R2.2256 C1=CC=C(\C=N\NC2=CC=CC=C2)C=C1 180675 [0,0,0,0,0,0|2,0,1]=3 9 B16R2.2256 C1=CN=CC(CNCC2=CC=CN=C2)=C1 046782 [0,0,0,0,0,0|3,0,0]=3 10 B17R2.143 N=C(NC1=CC=CC=C1)NC2=CC=CC=C2 098827 [0,1,0,0,0,0|3,0,0]=4 11 B17R2.143 NN(CC1=CC=CC=C1)CC2=CC=CC=C2 125300 [0,1,0,0,0,0|1,0,0]=2 12 B17R2.143 O=C(CC1=CC=CC=C1)CC2=CC=CC=C2 461066 [0,1,0,0,0,0|1,0,0]=2 13 B17R2.143 O=C(CC1=CC=CC=C1)NC2=CC=CC=C2 336639 [0,1,0,0,0,0|2,0,0]=3 14 B17R2.143 O=C(NC1=CC=CC=C1)NC2=CC=CC=C2 235655 [0,1,0,0,0,0|3,0,0]=4 15 B17R2.143 O=C(NC1=CC=CC=C1)OC2=CC=CC=C2 104149 [0,1,0,0,0,0|3,0,0]=4 16 B17R2.143 O=C(OC1=CC=CC=C1)OC2=CC=CC=C2 214624 [0,1,0,0,0,0|3,0,0]=4 17 B17R2.143 O=[PH](OC1=CC=CC=C1)OC2=CC=CC=C2 242834 [0,1,0,0,0,0|3,0,0]=4 18 B17R2.143 OC(CC1=CC=CC=C1)CC2=CC=CC=C2 103117 [0,1,0,0,0,0|1,0,0]=2 19 B17R2.143 S=C(NC1=CC=CC=C1)NC2=CC=CC=C2 018646 [0,1,0,0,0,0|3,0,0]=4 20 B17R2.216 [O-][N+]1=CC=C(CCCC2=CC=CC=C2)C=C1 032645 [0,1,0,0,0,0|2,0,0]=3 21 B17R2.2342 CC(NCC1=CN=CC=C1)C2=CC=CC=C2 015145 [0,1,0,0,0,0|2,0,0]=3 22 B17R2.2342 C[C@@H](NCC1=CC=CC=C1)C2=CC=CC=C2 012696 [0,1,0,0,0,0|1,0,0]=2 23 B17R2.2342 C[C@H](NCC1=CC=CC=C1)C2=CC=CC=C2 012697 [0,1,0,0,0,0|1,0,0]=2 24 B17R2.2342 O=C(CCC1=CC=CC=C1)C2=CC=CC=C2 205565 [0,1,0,0,0,0|1,0,1]=3 25 B17R2.2342 O=C(NCC1=CC=CC=C1)C2=CC=CC=C2 011095 [0,1,0,0,0,0|1,0,1]=3 26 B17R2.2342 O=C(NNC1=CC=CC=C1)C2=CC=CC=C2 067935 [0,1,0,0,0,0|2,0,1]=4 27 B17R2.2342 O=C(OCC1=CC=CC=C1)C2=CC=CC=C2 818701 [0,1,0,0,0,0|0,0,1]=2 28 B17R2.2342 O=C(\C=C\C1=CC=CC=C1)C2=CC=CC=C2 210679 [0,1,0,0,0,0|1,0,2]=4 29 B17R2.3956 OC1=C(\C=N\NC2=CC=CC=C2)C=CC=C1 101509 [0,1,0,0,0,0|2,0,1]=4 30 B17R3.1927 C1=CC=C([C@H]2O[C@@H]2C3=CC=CC=C3)C=C1 103270 [0,0,0,1,0,0|0,0,0]=1 31 B15R2.2195 C(#CC1=CC=CC=C1)C2=CC=CC=C2 098872 [0,0,0,0,1,0|0,0,2]=3 32 B15R2.2195 C1=CC(CCC2=CC=NC=C2)=CC=N1 363991 [0,0,0,0,1,0|2,0,0]=3 33 B15R2.2195 C1=CC=C(CCC2=CC=CC=C2)C=C1 226679 [0,0,0,0,1,0|0,0,0]=1 34 B15R2.2195 C1=CC=C(CNC2=CC=CC=C2)C=C1 358220 [0,0,0,0,1,0|1,0,0]=2 35 B15R2.2195 C1=CC=C(CNC2=CC=NC=C2)C=C1 032589 [0,0,0,0,1,0|2,0,0]=3 36 B15R2.2195 C1=CC=C(CNC2=NC=CC=C2)C=C1 226573 [0,0,0,0,1,0|2,0,0]=3 37 B15R2.2195 C1=CC=C(COC2=CC=CC=C2)C=C1 023290 [0,0,0,0,1,0|0,0,0]=1 38 B15R2.2195 C1=CC=C(CSC2=CC=CC=C2)C=C1 003349 [0,0,0,0,1,0|0,1,0]=2 39 B15R2.2195 C1=CC=C(SSC2=CC=CC=C2)C=C1 002923 [0,0,0,0,1,0|1,1,0]=3 40 B15R2.2195 C1=CC=C([Se][Se]C2=CC=CC=C2)C=C1 235853 [0,0,0,0,1,0|1,1,0]=3 41 B15R2.2195 C1=CC=C(\C=C\C2=CC=CC=C2)C=C1 358024 [0,0,0,0,1,0|0,0,2]=3 42 B15R2.2195 C1=CC=C(\C=C\C2=CC=NC=C2)C=C1 241695 [0,0,0,0,1,0|1,0,2]=4 43 B15R2.2195 C1=CC=C(\C=C\C2=NC=CC=C2)C=C1 186283 [0,0,0,0,1,0|1,0,2]=4 44 B15R2.2195 C1=CC=C(\C=N\C2=CC=CC=C2)C=C1 339976 [0,0,0,0,1,0|1,0,1]=3 45 B15R2.2195 C1=CC=C(\N=N\C2=CC=CC=C2)C=C1 358435 [0,0,0,0,1,0|2,0,0]=3 46 B15R2.2195 C1=CN=CC(CNC2=NC=CC=C2)=C1 024700 [0,0,0,0,1,0|3,0,0]=4 47 B17R2.2382 C1=CC(CCCCC2=CC=NC=C2)=CC=N1 032633 [0,0,0,0,0,1|3,0,0]=4 48 B17R2.2382 C1=CC=C(CCCSC2=CC=CC=C2)C=C1 099627 [0,0,0,0,0,1|1,0,0]=2 49 B17R2.2382 C1=CC=C(COCCC2=NC=CC=C2)C=C1 032601 [0,0,0,0,0,1|1,0,0]=2 50 B17R2.2382 C1=CC=C(CSSCC2=CC=CC=C2)C=C1 449293 [0,0,0,0,0,1|0,1,0]=2 51 B17R2.2382 C1=CC=C(SCCSC2=CC=CC=C2)C=C1 003673 [0,0,0,0,0,1|2,0,0]=3 52 B17R2.2382 C1=CC=C(\C=N\N=C\C2=CC=CC=C2)C=C1 018494 [0,0,0,0,0,1|1,0,2]=4 53 B16R2.71 C[N+]1=C(OCC2=CC=CC=C2)C=CC=C1 106581 [0,1,0,0,1,0|1,0,0]=3 54 B16R2.71 NC1=C(C#CC2=CC=CC=C2)C=CC=C1 030105 [0,1,0,0,1,0|0,0,2]=4 55 B16R2.71 NC1=CC=CC=C1OCC2=CC=CC=C2 241994 [0,1,0,0,1,0|0,0,0]=2 56 B16R2.71 NC1=NC=CC=C1OCC2=CC=CC=C2 036737 [0,1,0,0,1,0|1,0,0]=3 57 B16R2.88 NC(CC1=CC=CC=C1)C2=CC=CC=C2 358146 [0,1,0,0,1,0|0,0,0]=2 58 B16R2.88 O=C(CC1=CC=CC=C1)C2=CC=CC=C2 022896 [0,1,0,0,1,0|0,0,1]=3 59 B16R2.88 O=C(C[N+]1=CC=CC=C1)C2=CC=CC=C2 182115 [0,1,0,0,1,0|1,0,1]=4 60 B16R2.88 O=C(NC1=CC=CC=C1)C2=CC=CC=C2 242653 [0,1,0,0,1,0|1,0,1]=4 61 B16R2.88 O=C(OC1=CC=CC=C1)C2=CC=CC=C2 239029 [0,1,0,0,1,0|0,0,1]=3 62 B16R2.88 OC(CC1=CC=CC=C1)C2=CC=CC=C2 104279 [0,1,0,0,1,0|0,0,0]=2 63 B16R2.132 BrC1=CC=C(OCC2=CC=CC=C2)C=C1 018220 [0,1,0,0,1,0|0,0,0]=2 64 B16R2.132 CC1=CC=C(SCC2=CC=CC=C2)C=C1 095079 [0,1,0,0,1,0|0,1,0]=3 65 B16R2.132 CC1=CC=C(\C=N\C2=CC=CC=C2)C=C1 180662 [0,1,0,0,1,0|1,0,1]=4 66 B16R2.132 ClC1=CC=C(OCC2=CC=CC=C2)C=C1 018221 [0,1,0,0,1,0|0,0,0]=2 67 B16R2.132 ClC1=CC=C(\C=N\C2=CC=CC=C2)C=C1 190198 [0,1,0,0,1,0|1,0,1]=4 68 B16R2.132 FC1=CC=C(COC2=CC=CC=C2)C=C1 023268 [0,1,0,0,1,0|0,0,0]=2 69 B16R2.132 FC1=CC=C(CSC2=CC=CC=C2)C=C1 006208 [0,1,0,0,1,0|0,1,0]=3 70 B16R2.132 FC1=CC=C(OCC2=CC=CC=C2)C=C1 009022 [0,1,0,0,1,0|0,0,0]=2 71 B16R2.132 FC1=CC=C(\C=N\C2=CC=CC=C2)C=C1 180703 [0,1,0,0,1,0|1,0,1]=4 72 B16R2.132 IC1=CC=C(OCC2=CC=CC=C2)C=C1 018223 [0,1,0,0,1,0|0,0,0]=2 73 B16R2.132 NC1=CC=C(OCC2=CC=CC=C2)C=C1 043641 [0,1,0,0,1,0|0,0,0]=2 74 B16R2.132 NC1=CC=C(OCC2=CC=CC=C2)C=C1 078009 [0,1,0,0,1,0|0,0,0]=2 75 B16R2.132 NC1=CC=C(\C=C\C2=CC=CC=C2)C=C1 020329 [0,1,0,0,1,0|0,0,2]=4 76 B16R2.132 NC1=CC=C(\N=N\C2=CC=CC=C2)C=C1 064720 [0,1,0,0,1,0|2,0,0]=4 77 B16R2.132 OC1=CC=C(OCC2=CC=CC=C2)C=C1 078490 [0,1,0,0,1,0|0,0,0]=2 78 B16R2.132 OC1=CC=C(\N=N\C2=CC=CC=C2)C=C1 225738 [0,1,0,0,1,0|2,0,0]=4 79 B16R2.132 [O-][N+]1=CC=C(OCC2=CC=CC=C2)C=C1 224547 [0,1,0,0,1,0|1,0,0]=3 80 B16R2.252 BrC1=CC=CC(OCC2=CC=CC=C2)=C1 023255 [0,1,0,0,1,0|0,0,0]=2 81 B16R2.252 CC1=CC=CC(SCC2=CC=CC=C2)=C1 095048 [0,1,0,0,1,0|0,1,0]=3 82 B16R2.252 FC1=CC=CC(COC2=CC=CC=C2)=C1 023291 [0,1,0,0,1,0|0,0,0]=2 83 B16R2.252 IC1=CC(OCC2=CC=CC=C2)=CC=C1 241913 [0,1,0,0,1,0|0,0,0]=2 84 B16R2.252 NC1=CC=CC(OCC2=CC=CC=C2)=C1 078930 [0,1,0,0,1,0|0,0,0]=2 85 B16R2.252 O=C1C=C(OCC2=CC=CC=C2)C=CN1 068371 [0,1,0,0,1,0|1,0,0]=3 86 B18R2.2429 O=C(NCC1=CC=CC=C1)NC2=CC=CC=C2 181157 [0,1,0,0,0,1|1,0,1]=4 87 B18R2.7189 O=C(CCCC1=CC=CC=C1)C2=CC=CC=C2 104442 [0,1,0,0,0,1|1,0,0]=3 88 B18R2.7189 O=C(NCCC1=CC=CC=C1)C2=CC=CC=C2 181137 [0,1,0,0,0,1|1,0,1]=4 89 B18R2.266 CC1=CC=C(NC(=O)CC2=CC=CC=C2)C=C1 181134 [0,2,0,0,0,0|2,0,0]=4 90 B18R2.3983 CC1=CC=CC=C1NC(=O)CC2=CC=CC=C2 181132 [0,2,0,0,0,0|2,0,0]=4 91 B18R2.3606 OC[C@H](NCC1=CC=CC=C1)C2=CC=CC=C2 436313 [0,2,0,0,0,0|1,0,0]=3 92 B18R2.3634 O=C(OC(=O)C1=CC=CC=C1)C2=CC=CC=C2 106400 [0,2,0,0,0,0|0,0,2]=4 93 B18R2.4001 NC1=C(C(=O)NCC2=CC=CC=C2)C=CC=C1 369482 [0,2,0,0,0,0|1,0,1]=4 94 B18R2.4001 O=C(CCC1=CC=CC=C1)C2=C(O)C=CC=C2 238976 [0,2,0,0,0,0|1,0,1]=4 95 B18R2.32237 O=S(=O)(NCC1=CC=CC=C1)C2=CC=CC=C2 306557 [0,2,0,0,0,0|2,0,0]=4 96 B16R3.9 C1=CC2=NN=C3C=CC=CC3=C2C=C1 013426 [0,0,0,1,1,0|2,0,0]=4 97 B16R3.9 C1=CC=C2C(=C1)C=CC3=CC=CC=C32 240737 [0,0,0,1,1,0|0,0,2]=4 98 B16R3.9 C1=CC=C2C(=C1)CCC3=C2C=CC=C3 239788 [0,0,0,1,1,0|0,0,0]=2 99 B18R3.2098 C1=CC=C(CN2C=NC3=C2C=CC=C3)C=C1 048278 [0,0,0,1,0,1|1,0,1]=4 100 B18R3.2098 C1=CC=C(CN2N=NC3=CC=CC=C32)C=C1 180837 [0,0,0,1,0,1|2,0,0]=4 101 B18R3.2098 C1=CC=C([13CH2]N2N=NC3=C2C=CC=C3)C=C1 190378 [0,0,0,1,0,1|2,0,0]=4 102 B18R3.2108 C1=CC=C(C2NCCC3=C2C=CC=C3)C=C1 029586 [0,0,0,1,0,1|1,0,0]=3 103 B18R3.2108 C1=CC=C([C@H]2NCCC3=C2C=CC=C3)C=C1 233927 [0,0,0,1,0,1|1,0,0]=3 104 B18R3.182 O=C1CC2=C(C=CC=C2)N1C3=CC=CC=C3 045238 [0,1,0,1,0,0|2,0,0]=4 105 B18R3.12875 C1=CC=C(CC2=NC3=CC=CC=C3N2)C=C1 026346 [0,1,0,1,0,0|2,0,0]=4 106 B14R2.6 C1=CC=C(CC2=CC=CC=C2)C=C1 235562 [0,0,0,0,2,0|0,0,0]=2 107 B14R2.6 C1=CC=C(CC2=CC=NC=C2)C=C1 336040 [0,0,0,0,2,0|1,0,0]=3 108 B14R2.6 C1=CC=C(CC2=NC=CC=C2)C=C1 095088 [0,0,0,0,2,0|1,0,0]=3 109 B14R2.6 C1=CC=C(NC2=CC=CC=C2)C=C1 099691 [0,0,0,0,2,0|1,0,0]=3 110 B14R2.6 C1=CC=C(NC2=CC=CC=C2)C=C1 136000 [0,0,0,0,2,0|1,0,0]=3 111 B14R2.6 C1=CC=C(NC2=NC=CC=C2)C=C1 322026 [0,0,0,0,2,0|2,0,0]=4 112 B14R2.6 C1=CC=C(OC2=CC=CC=C2)C=C1 099314 [0,0,0,0,2,0|0,0,0]=2 113 B14R2.6 C1=CC=C(OC2=CC=CC=C2)C=C1 099338 [0,0,0,0,2,0|0,0,0]=2 114 B14R2.6 C1=CC=C(PC2=CC=CC=C2)C=C1 050092 [0,0,0,0,2,0|1,0,0]=3 115 B14R2.6 C1=CC=C(PC2=CC=CC=C2)C=C1 107014 [0,0,0,0,2,0|1,0,0]=3 116 B14R2.6 C1=CC=C(SC2=CC=CC=C2)C=C1 098931 [0,0,0,0,2,0|0,1,0]=3 117 B14R2.6 C1=CC=C(SC2=CC=CC=C2)C=C1 104588 [0,0,0,0,2,0|0,1,0]=3 118 B14R2.6 C1=CC=C([SiH2]C2=CC=CC=C2)C=C1 005285 [0,0,0,0,2,0|0,1,0]=3 119 B18R2.2525 C1=CC=C(SCCCSC2=CC=CC=C2)C=C1 106998 [0,0,0,0,0,2|1,0,0]=3