0 B12R1.4 C#CC1=CC=C(C=C1)NC(=O)C Z1509142033 [0,0,0,0,0,0|1,0,1]=2 1 B12R1.4 CC(=O)NC1=CC=C(C=C1)C#N Z30612220 [0,0,0,0,0,0|2,0,0]=2 2 B12R1.4 CC(=O)NC1=CC=C(C=C1)C=O Z104472864 [0,0,0,0,0,0|2,0,0]=2 3 B12R1.4 CC(=O)NC1=CC=C(C=C1)CN Z235336571 [0,0,0,0,0,0|2,0,0]=2 4 B12R1.4 CC(=O)NC1=CC=C(C=C1)CO Z228585230 [0,0,0,0,0,0|2,0,0]=2 5 B12R1.4 CC(=O)NC1=NC=C(C=C1)C=O Z1255448873 [0,0,0,0,0,0|3,0,0]=3 6 B12R1.4 CC(=O)OC1=CC=C(C=C1)C=O Z57887890 [0,0,0,0,0,0|3,0,0]=3 7 B12R1.4 CC(=O)OC1=CC=C(C=C1)CCl Z1255365081 [0,0,0,0,0,0|3,0,0]=3 8 B12R1.4 CC(=O)OC1=CC=C(C=C1)CN Z2216303143 [0,0,0,0,0,0|3,0,0]=3 9 B12R1.4 CC(C)NC1=CC=C(C=C1)CN Z4905251594 [0,0,0,0,0,0|3,0,1]=4 10 B12R1.4 CCC1=CC=C(C=C1)CC(=O)O Z274782844 [0,0,0,0,0,0|3,0,0]=3 11 B12R1.4 CCC1=CC=C(C=C1)NC(=O)C Z30917832 [0,0,0,0,0,0|1,0,0]=1 12 B12R1.4 CCC1=CC=C(C=C1)NC(=S)N Z271134316 [0,0,0,0,0,0|2,1,0]=3 13 B12R1.4 CCC1=CC=C(C=C1)NC(C)C Z266668684 [0,0,0,0,0,0|2,0,1]=3 14 B12R1.4 CNC1=CC=C(C=C1)NC(=O)C Z335252368 [0,0,0,0,0,0|1,0,0]=1 15 B12R1.4 CNC1=CC=C(C=C1)OC(C)C Z1889917384 [0,0,0,0,0,0|3,0,1]=4 16 B12R1.4 COC1=CC=C(C=C1)CC(=O)N Z33546648 [0,0,0,0,0,0|2,0,0]=2 17 B12R1.4 COC1=CC=C(C=C1)CC(=O)O Z104476074 [0,0,0,0,0,0|2,0,0]=2 18 B12R1.4 COC1=CC=C(C=C1)CC(C)O Z228586162 [0,0,0,0,0,0|1,0,2]=3 19 B12R1.4 COC1=CC=C(C=C1)NC(=N)N Z118438372 [0,0,0,0,0,0|2,0,0]=2 20 B12R1.4 COC1=CC=C(C=C1)NC(=O)C Z28138902 [0,0,0,0,0,0|0,0,0]=0 21 B12R1.4 COC1=CC=C(C=C1)NC(=O)N Z56754681 [0,0,0,0,0,0|1,0,0]=1 22 B12R1.4 COC1=CC=C(C=C1)NC(=S)N Z56921428 [0,0,0,0,0,0|1,1,0]=2 23 B12R1.4 COC1=CC=C(C=C1)OC(=O)C Z30195429 [0,0,0,0,0,0|1,0,0]=1 24 B12R1.4 COC1=CN=C(C=C1)CC(=O)O Z1913661249 [0,0,0,0,0,0|3,0,0]=3 25 B12R1.4 COC1=NC=C(C=C1)CC(=O)C Z1216822629 [0,0,0,0,0,0|2,0,0]=2 26 B12R1.4 COC1=NC=C(C=C1)NC(=O)C Z26413930 [0,0,0,0,0,0|1,0,0]=1 27 B12R1.4 CSC1=CC=C(C=C1)CC(=O)O Z1212966448 [0,0,0,0,0,0|2,1,0]=3 28 B12R1.4 CSC1=CC=C(C=C1)NC(=O)C Z25066204 [0,0,0,0,0,0|0,1,0]=1 29 B12R1.4 N#CC1=CC=C(C=C1)CC(=O)N Z982774006 [0,0,0,0,0,0|4,0,0]=4 30 B12R1.4 N#CC1=CC=C(C=C1)CC(=O)O Z362118788 [0,0,0,0,0,0|4,0,0]=4 31 B12R1.4 N#CC1=CC=C(C=C1)NC(=O)N Z220331754 [0,0,0,0,0,0|3,0,0]=3 32 B12R1.4 N#CC1=CC=C(C=C1)NC(=S)N Z291279010 [0,0,0,0,0,0|3,1,0]=4 33 B12R1.4 NCC1=CC=C(C=C1)NC(=O)N Z228589054 [0,0,0,0,0,0|3,0,0]=3 34 B12R1.4 O=CC1=CC=C(C=C1)CC(=O)O Z1198269767 [0,0,0,0,0,0|4,0,0]=4 35 B11R1.20 CC(=O)CC1=CC=C(C=C1)F Z329711590 [1,0,0,0,0,0|2,0,0]=3 36 B11R1.20 CC(=O)NC1=CC=C(C=C1)C Z28134680 [1,0,0,0,0,0|0,0,0]=1 37 B11R1.20 CC(=O)NC1=CC=C(C=C1)Cl Z28161730 [1,0,0,0,0,0|1,0,0]=2 38 B11R1.20 CC(=O)NC1=CC=C(C=C1)F Z27805821 [1,0,0,0,0,0|1,0,0]=2 39 B11R1.20 CC(=O)NC1=CC=C(C=C1)I Z30316374 [1,0,0,0,0,0|1,0,0]=2 40 B11R1.20 CC(=O)NC1=CC=C(C=C1)N Z56926521 [1,0,0,0,0,0|1,0,0]=2 41 B11R1.20 CC(=O)NC1=CC=C(C=C1)O Z56946051 [1,0,0,0,0,0|0,0,0]=1 42 B11R1.20 CC(=O)NC1=CC=C(C=C1)S Z104484984 [1,0,0,0,0,0|0,1,0]=2 43 B11R1.20 CC(=O)NC1=NC=C(C=C1)Cl Z71484766 [1,0,0,0,0,0|2,0,0]=3 44 B11R1.20 CC(=O)OC1=CC=C(C=C1)O Z1198155166 [1,0,0,0,0,0|1,0,0]=2 45 B11R1.20 CC(=S)NC1=CC=C(C=C1)F Z56756640 [1,0,0,0,0,0|1,1,0]=3 46 B11R1.20 CC(C)NC1=CC=C(C=C1)Cl Z993967140 [1,0,0,0,0,0|2,0,1]=4 47 B11R1.20 CC(C)NC1=CC=C(C=C1)F Z266481896 [1,0,0,0,0,0|2,0,1]=4 48 B11R1.20 CC(N)CC1=CC=C(C=C1)O Z57102382 [1,0,0,0,0,0|2,0,1]=4 49 B11R1.20 CC1=CC=C(C=C1)CC(=N)N Z3244909870 [1,0,0,0,0,0|3,0,0]=4 50 B11R1.20 CC1=CC=C(C=C1)CC(=O)O Z104507548 [1,0,0,0,0,0|2,0,0]=3 51 B11R1.20 CC1=CC=C(C=C1)NC(=O)N Z56754677 [1,0,0,0,0,0|1,0,0]=2 52 B11R1.20 CC1=CC=C(C=C1)NC(=S)N Z57965505 [1,0,0,0,0,0|1,1,0]=3 53 B11R1.20 CC1=CC=C(C=C1)NC(C)C Z992717194 [1,0,0,0,0,0|1,0,1]=3 54 B11R1.20 CC1=CC=C(C=C1)OC(C)C Z53834229 [1,0,0,0,0,0|2,0,1]=4 55 B11R1.20 CC1=NC=C(C=C1)CC(=O)O Z424795892 [1,0,0,0,0,0|3,0,0]=4 56 B11R1.20 N=C(N)NC1=CC=C(C=C1)Br Z5099116935 [1,0,0,0,0,0|3,0,0]=4 57 B11R1.20 N=C(N)NC1=CC=C(C=C1)Cl Z2931635778 [1,0,0,0,0,0|3,0,0]=4 58 B11R1.20 N=C(N)NC1=CC=C(C=C1)N Z2471157136 [1,0,0,0,0,0|3,0,0]=4 59 B11R1.20 NC(=O)CC1=CC=C(C=C1)Br Z33546958 [1,0,0,0,0,0|3,0,0]=4 60 B11R1.20 NC(=O)CC1=CC=C(C=C1)Cl Z33546677 [1,0,0,0,0,0|3,0,0]=4 61 B11R1.20 NC(=O)CC1=CC=C(C=C1)F Z33546755 [1,0,0,0,0,0|3,0,0]=4 62 B11R1.20 NC(=O)CC1=CC=C(C=C1)N Z234895133 [1,0,0,0,0,0|3,0,0]=4 63 B11R1.20 NC(=O)NC1=CC=C(C=C1)Br Z89283357 [1,0,0,0,0,0|2,0,0]=3 64 B11R1.20 NC(=O)NC1=CC=C(C=C1)Cl Z56754682 [1,0,0,0,0,0|2,0,0]=3 65 B11R1.20 NC(=O)NC1=CC=C(C=C1)F Z166687094 [1,0,0,0,0,0|2,0,0]=3 66 B11R1.20 NC(=O)NC1=CC=C(C=C1)I Z56754684 [1,0,0,0,0,0|2,0,0]=3 67 B11R1.20 NC(=O)NC1=CC=C(C=C1)N Z239123648 [1,0,0,0,0,0|2,0,0]=3 68 B11R1.20 NC(=S)NC1=CC=C(C=C1)Cl Z56939186 [1,0,0,0,0,0|2,1,0]=4 69 B11R1.20 NC(=S)NC1=CC=C(C=C1)F Z57455239 [1,0,0,0,0,0|2,1,0]=4 70 B11R1.20 NC1=CC=C(C=C1)CC(=O)O Z104481066 [1,0,0,0,0,0|3,0,0]=4 71 B11R1.20 O=C(Cl)CC1=CC=C(C=C1)Cl Z217293314 [1,0,0,0,0,0|3,0,0]=4 72 B11R1.20 O=C(O)CC1=CC=C(C=C1)Br Z90121253 [1,0,0,0,0,0|3,0,0]=4 73 B11R1.20 O=C(O)CC1=CC=C(C=C1)Cl Z104477676 [1,0,0,0,0,0|3,0,0]=4 74 B11R1.20 O=C(O)CC1=CC=C(C=C1)F Z104477312 [1,0,0,0,0,0|3,0,0]=4 75 B11R1.83 C/C=C/C1=CC=C(C=C1)OC Z2315575049 [1,0,0,0,0,0|1,0,0]=2 76 B11R1.83 CCNC1=CC=C(C=C1)C#N Z126933712 [1,0,0,0,0,0|2,0,1]=4 77 B11R1.83 CCNC1=CC=C(C=C1)CC Z286410160 [1,0,0,0,0,0|1,0,1]=3 78 B11R1.83 CCNC1=CC=C(C=C1)CN Z954985480 [1,0,0,0,0,0|2,0,1]=4 79 B11R1.83 CCNC1=CC=C(C=C1)OC Z286371004 [1,0,0,0,0,0|0,0,1]=2 80 B11R1.83 CCNC1=CN=C(C=C1)OC Z334876678 [1,0,0,0,0,0|1,0,1]=3 81 B11R1.83 CCOC1=CC=C(C=C1)NC Z335255846 [1,0,0,0,0,0|2,0,1]=4 82 B11R1.83 CNCC1=CC=C(C=C1)OC Z56928625 [1,0,0,0,0,0|2,0,0]=3 83 B11R1.83 CNCC1=CC=C(C=C1)SC Z56960262 [1,0,0,0,0,0|2,1,0]=4 84 B11R1.83 CNCC1=CN=C(C=C1)OC Z2490025030 [1,0,0,0,0,0|3,0,0]=4 85 B11R1.83 CNCC1=NC=C(C=C1)OC Z1849014421 [1,0,0,0,0,0|3,0,0]=4 86 B11R1.83 COC1=CC=C(C=C1)/C=N/O Z49568452 [1,0,0,0,0,0|2,0,1]=4 87 B11R1.83 COC1=CC=C(C=C1)CC#N Z104476452 [1,0,0,0,0,0|2,0,1]=4 88 B11R1.83 COC1=CC=C(C=C1)CC=O Z993017620 [1,0,0,0,0,0|1,0,0]=2 89 B11R1.83 COC1=CC=C(C=C1)CCN Z104476454 [1,0,0,0,0,0|2,0,1]=4 90 B11R1.83 COC1=CC=C(C=C1)N=C=S Z56921427 [1,0,0,0,0,0|0,1,2]=4 91 B11R1.83 CSC1=CC=C(C=C1)CC=O Z1198331627 [1,0,0,0,0,0|1,1,0]=3 92 B11R1.83 CSCC1=CC=C(C=C1)SC Z599630492 [1,0,0,0,0,0|2,1,0]=4 93 B13R1.4 CNC1=CC=C(C=C1)NS(=O)(=O)C Z4951115187 [0,1,0,0,0,0|2,0,0]=3 94 B13R1.4 COC1=CC=C(C=C1)CC(C)(C)N Z1117893987 [0,1,0,0,0,0|2,0,1]=4 95 B13R1.4 COC1=CC=C(C=C1)CS(=O)(=O)F Z2732843735 [0,1,0,0,0,0|3,0,0]=4 96 B13R1.4 CS(=O)(=O)NC1=CC=C(C=C1)CN Z426041412 [0,1,0,0,0,0|3,0,0]=4 97 B13R1.4 CSC1=NC=C(C=C1)NS(=O)(=O)C Z1729653570 [0,1,0,0,0,0|2,1,0]=4 98 B13R1.5 C#CC1=CC=C(C=C1)NC(=O)C=C Z1509200130 [0,1,0,0,0,0|1,0,2]=4 99 B13R1.5 C#CC1=CC=C(C=C1)NC(=O)CCl Z1262509371 [0,1,0,0,0,0|1,0,1]=3 100 B13R1.5 C=CC(=O)NC1=CC=C(C=C1)C#N Z276659436 [0,1,0,0,0,0|2,0,1]=4 101 B13R1.5 C=CC(=O)NC1=CC=C(C=C1)OC Z440633656 [0,1,0,0,0,0|0,0,1]=2 102 B13R1.5 C=CC(=O)NC1=CN=C(C=C1)OC Z440633620 [0,1,0,0,0,0|1,0,1]=3 103 B13R1.5 C=CC(=O)NC1=CN=C(C=N1)OC Z3488631463 [0,1,0,0,0,0|2,0,1]=4 104 B13R1.5 C=CC(=O)NC1=NC=C(C=N1)OC Z2738282385 [0,1,0,0,0,0|2,0,1]=4 105 B13R1.5 C=CC(=O)NC1=NN=C(C=C1)OC Z2738282386 [0,1,0,0,0,0|2,0,1]=4 106 B13R1.5 CCC(=O)NC1=CC=C(C=C1)C#N Z30612266 [0,1,0,0,0,0|2,0,0]=3 107 B13R1.5 CCC(=O)NC1=CC=C(C=C1)CC Z30917878 [0,1,0,0,0,0|1,0,0]=2 108 B13R1.5 CCC(=O)NC1=CC=C(C=C1)CN Z1747050273 [0,1,0,0,0,0|2,0,0]=3 109 B13R1.5 CCC(=O)NC1=CC=C(C=C1)SC Z110120998 [0,1,0,0,0,0|0,1,0]=2 110 B13R1.5 CCC(=O)NC1=CN=C(C=C1)OC Z26413976 [0,1,0,0,0,0|1,0,0]=2 111 B13R1.5 CCC1=CC=C(C=C1)NC(=O)CCl Z56886400 [0,1,0,0,0,0|1,0,0]=2 112 B13R1.5 CNC(=O)NC1=CC=C(C=C1)C#N Z332370020 [0,1,0,0,0,0|2,0,0]=3 113 B13R1.5 CNC(=O)NC1=CC=C(C=C1)OC Z104757974 [0,1,0,0,0,0|0,0,0]=1 114 B13R1.5 COC(=O)CC1=CC=C(C=C1)C#N Z987351304 [0,1,0,0,0,0|3,0,0]=4 115 B13R1.5 COC(=O)CC1=CC=C(C=C1)C=O Z1255502340 [0,1,0,0,0,0|3,0,0]=4 116 B13R1.5 COC(=O)NC1=CC=C(C=C1)CO Z1250127728 [0,1,0,0,0,0|2,0,0]=3 117 B13R1.5 COC1=CC=C(C=C1)/C=C(\C)/C=O Z2417557210 [0,1,0,0,0,0|1,0,0]=2 118 B13R1.5 COC1=CC=C(C=C1)C/C(=N/O)/N Z285225846 [0,1,0,0,0,0|2,0,1]=4 119 B13R1.5 COC1=CC=C(C=C1)CC(=O)NN Z56347401 [0,1,0,0,0,0|2,0,0]=3 120 B13R1.5 COC1=CC=C(C=C1)CC(=O)NO Z59182049 [0,1,0,0,0,0|2,0,0]=3 121 B13R1.5 COC1=CC=C(C=C1)CC(C)CN Z992310982 [0,1,0,0,0,0|2,0,1]=4 122 B13R1.5 COC1=CC=C(C=C1)NC(=O)CCl Z56862381 [0,1,0,0,0,0|0,0,0]=1 123 B13R1.5 COC1=CC=C(C=C1)NC(=O)CN Z46280202 [0,1,0,0,0,0|0,0,0]=1 124 B13R1.5 COC1=CC=C(C=C1)NC(=S)NN Z56827765 [0,1,0,0,0,0|1,1,0]=3 125 B13R1.5 COC1=CC=C(C=C1)NC(=S)SC Z56757835 [0,1,0,0,0,0|0,1,0]=2 126 B13R1.5 COC1=CC=C(C=C1)OC(C)CN Z844632002 [0,1,0,0,0,0|2,0,1]=4 127 B13R1.5 COC1=NC=C(C=C1)NC(=O)CCl Z57043501 [0,1,0,0,0,0|1,0,0]=2 128 B13R1.5 CSC1=CC=C(C=C1)NC(=O)CCl Z199423718 [0,1,0,0,0,0|0,1,0]=2 129 B13R1.5 N#CC1=CC=C(C=C1)CC(=O)CCl Z1262480658 [0,1,0,0,0,0|3,0,0]=4 130 B13R1.5 N#CC1=CC=C(C=C1)NC(=O)CCl Z56899809 [0,1,0,0,0,0|2,0,0]=3 131 B13R1.35 CCC1=C(C=C(C=C1)CC(=O)O)F Z1551924486 [0,1,0,0,0,0|3,0,0]=4 132 B13R1.35 COC1=C(C=C(C=C1)CC(=N)N)F Z1263602367 [0,1,0,0,0,0|3,0,0]=4 133 B13R1.35 COC1=C(C=C(C=C1)CC(=O)O)Cl Z1205414415 [0,1,0,0,0,0|2,0,0]=3 134 B13R1.35 COC1=C(C=C(C=C1)CC(=O)O)F Z94598730 [0,1,0,0,0,0|2,0,0]=3 135 B13R1.35 COC1=C(C=C(C=C1)CC(=O)O)O Z1065613560 [0,1,0,0,0,0|2,0,0]=3 136 B13R1.35 COC1=C(C=C(C=C1)CC(C)N)O Z4574899614 [0,1,0,0,0,0|2,0,1]=4 137 B13R1.35 COC1=C(C=C(C=C1)NC(=S)N)Cl Z291279070 [0,1,0,0,0,0|1,1,0]=3 138 B13R1.35 COC1=C(C=C(C=C1)NC(C)C)F Z1262254324 [0,1,0,0,0,0|1,0,1]=3 139 B13R1.35 CSC1=C(C=C(C=C1)NC(=O)C)Cl Z1324842283 [0,1,0,0,0,0|0,1,0]=2 140 B13R1.35 CSC1=C(C=C(C=C1)NC(=O)N)Cl Z1328048865 [0,1,0,0,0,0|1,1,0]=3 141 B13R1.36 CCC1=CC=C(C=C1)C(C)C(=O)O Z792377226 [0,1,0,0,0,0|3,0,0]=4 142 B13R1.36 CCC1=CC=C(C=C1)C(N)C(=O)O Z317024600 [0,1,0,0,0,0|3,0,0]=4 143 B13R1.36 COC1=CC=C(C=C1)C(=O)C(C)Br Z325370254 [0,1,0,0,0,0|2,0,1]=4 144 B13R1.36 COC1=CC=C(C=C1)C(=O)C(C)C Z385418276 [0,1,0,0,0,0|2,0,1]=4 145 B13R1.36 COC1=CC=C(C=C1)C(=O)C(C)Cl Z56968902 [0,1,0,0,0,0|2,0,1]=4 146 B13R1.36 COC1=CC=C(C=C1)C(C)C(=O)C Z1276728136 [0,1,0,0,0,0|1,0,0]=2 147 B13R1.36 COC1=CC=C(C=C1)C(C)C(=O)O Z792377298 [0,1,0,0,0,0|2,0,0]=3 148 B13R1.36 COC1=CC=C(C=C1)C(N)C(=O)O Z56755722 [0,1,0,0,0,0|2,0,0]=3 149 B13R1.36 COC1=CC=C(C=C1)C(N)C(C)C Z99599002 [0,1,0,0,0,0|2,0,1]=4 150 B13R1.36 COC1=CC=C(C=C1)C(N)C(C)O Z3037763603 [0,1,0,0,0,0|1,0,2]=4 151 B13R1.36 COC1=CC=C(C=C1)C(O)C(C)N Z1526453885 [0,1,0,0,0,0|2,0,1]=4 152 B13R1.36 COC1=CC=C(C=C1)N(C)C(=O)N Z905094782 [0,1,0,0,0,0|1,0,0]=2 153 B13R1.142 CC(=O)NC1=CC=C(C=C1)/C=N/O Z49568317 [0,1,0,0,0,0|2,0,0]=3 154 B13R1.142 CC(=O)NC1=CC=C(C=C1)CC=O Z1250885306 [0,1,0,0,0,0|1,0,1]=3 155 B13R1.142 CC(=O)NC1=CC=C(C=C1)CCN Z285143822 [0,1,0,0,0,0|1,0,0]=2 156 B13R1.142 CC(=O)NC1=CC=C(C=C1)CCO Z785801482 [0,1,0,0,0,0|1,0,0]=2 157 B13R1.142 CCOC1=CC=C(C=C1)CC(=O)O Z56877838 [0,1,0,0,0,0|2,0,0]=3 158 B13R1.142 CCOC1=CC=C(C=C1)NC(=O)C Z27807932 [0,1,0,0,0,0|0,0,0]=1 159 B13R1.142 CCOC1=CC=C(C=C1)NC(=O)N Z56754688 [0,1,0,0,0,0|1,0,0]=2 160 B13R1.142 CCOC1=CN=C(C=C1)CC(=O)O Z3020571152 [0,1,0,0,0,0|3,0,0]=4 161 B13R1.142 CCSC1=CC=C(C=C1)CC(=O)O Z1251117782 [0,1,0,0,0,0|2,1,0]=4 162 B13R1.142 CNCC1=CC=C(C=C1)NC(=O)C Z2452335463 [0,1,0,0,0,0|1,0,0]=2 163 B13R1.585 CC(=O)C1=CC=C(C=C1)CC(=O)O Z382690832 [0,1,0,0,0,0|3,0,0]=4 164 B13R1.585 CC(=O)C1=CC=C(C=C1)NC(=O)N Z198194978 [0,1,0,0,0,0|2,0,0]=3 165 B13R1.585 CC(=O)NC1=CC=C(C=C1)B(O)O Z1203161679 [0,1,0,0,0,0|2,0,0]=3 166 B13R1.585 CC(=O)NC1=CC=C(C=C1)C(=O)C Z27699519 [0,1,0,0,0,0|1,0,0]=2 167 B13R1.585 CC(=O)NC1=CC=C(C=C1)C(=O)O Z57042001 [0,1,0,0,0,0|2,0,0]=3 168 B13R1.585 CC(=O)NC1=CC=C(C=C1)C(=S)N Z235361379 [0,1,0,0,0,0|2,0,0]=3 169 B13R1.585 CC(=O)NC1=CN=C(C=C1)C(F)F Z2674785915 [0,1,0,0,0,0|3,0,0]=4 170 B13R1.585 CC(=O)NC1=NC=C(C=C1)N(C)C Z914115824 [0,1,0,0,0,0|2,0,0]=3 171 B13R1.585 CC(=O)OC1=CC=C(C=C1)C(=O)C Z28188387 [0,1,0,0,0,0|2,0,0]=3 172 B13R1.585 CC(=O)OC1=CC=C(C=C1)C(=O)O Z57169570 [0,1,0,0,0,0|3,0,0]=4 173 B13R1.585 CC(C)C1=CC=C(C=C1)CC(=O)O Z362118700 [0,1,0,0,0,0|3,0,0]=4 174 B13R1.585 CC(N)C1=CC=C(C=C1)NC(=O)N Z278090892 [0,1,0,0,0,0|2,0,0]=3 175 B13R1.585 CS(=O)C1=CC=C(C=C1)CC(=O)O Z1251124311 [0,1,0,0,0,0|2,1,0]=4 176 B13R1.585 NC(=O)NC1=CC=C(C=C1)C(=O)O Z56896940 [0,1,0,0,0,0|3,0,0]=4 177 B13R1.585 NC(=O)NC1=CC=C(C=C1)[N+](=O)[O-] Z166687092 [0,1,0,0,0,0|3,0,0]=4 178 B13R1.653 CC(=O)NC1=C(C=C(C=C1)C#N)F Z1449666700 [0,1,0,0,0,0|2,0,0]=3 179 B13R1.653 COC1=CC(=C(C=C1)CC(=O)O)C Z1198160688 [0,1,0,0,0,0|2,0,0]=3 180 B13R1.653 COC1=CC(=C(C=C1)CC(=O)O)Cl Z1269126399 [0,1,0,0,0,0|2,0,0]=3 181 B13R1.653 COC1=CC(=C(C=C1)CC(=O)O)F Z1201623880 [0,1,0,0,0,0|2,0,0]=3 182 B13R1.653 COC1=CC(=C(C=C1)NC(=O)C)C Z56871751 [0,1,0,0,0,0|0,0,0]=1 183 B13R1.653 COC1=CC(=C(C=C1)NC(=O)C)N Z239120272 [0,1,0,0,0,0|0,0,0]=1 184 B13R1.653 COC1=CC(=C(C=C1)NC(=O)N)I Z1875070570 [0,1,0,0,0,0|1,0,0]=2 185 B13R1.653 COC1=CC(=C(C=C1)OC(C)C)N Z239604782 [0,1,0,0,0,0|2,0,1]=4 186 B13R2.16 COC1=CC=C(C=C1)C2OC2C Z278165290 [0,0,0,1,0,0|1,0,2]=4 187 B13R2.16 COC1=CC=C(C=C1)[C@@H]2C[C@H]2N Z2298098001 [0,0,0,1,0,0|2,0,1]=4 188 B13R2.16 COC1=CC=C(C=C1)[C@@H]2O[C@H]2C Z2527564242 [0,0,0,1,0,0|1,0,2]=4 189 B13R2.1279 O=C(O)CC1=CC2=C(C=C1)CC2 Z1551937159 [0,0,0,1,0,0|3,0,0]=4 190 B13R2.2121 CC1=NC2=C(N1)C=CC(=C2)C=O Z1216829044 [0,0,0,1,0,0|3,0,0]=4 191 B13R2.2121 CNC1=CC2=C(C=C1)N=C(S2)C Z1082871498 [0,0,0,1,0,0|1,1,1]=4 192 B13R2.2121 CNC1=CC2=C(C=C1)NC(=N2)C Z1403499839 [0,0,0,1,0,0|2,0,0]=3 193 B13R2.2121 COC1=CC2=C(C=C1)N=C(S2)C Z90123542 [0,0,0,1,0,0|0,1,1]=3 194 B13R2.2121 COC1=CC2=C(C=C1)N=C(S2)N Z56756338 [0,0,0,1,0,0|1,1,1]=4 195 B13R2.2121 COC1=CC2=C(C=C1)NC(=C2)C Z1197882538 [0,0,0,1,0,0|1,0,0]=2 196 B13R2.2121 COC1=CC2=C(C=C1)NC(=N2)C Z1587257377 [0,0,0,1,0,0|1,0,0]=2 197 B13R2.2121 COC1=CC2=C(C=C1)NC(=N2)N Z1198160975 [0,0,0,1,0,0|2,0,0]=3 198 B13R2.2121 COC1=CC2=C(C=C1)NC(=N2)S Z221604426 [0,0,0,1,0,0|1,1,0]=3 199 B13R2.2121 COC1=CC2=C(C=C1)NC(C2)C Z1255421552 [0,0,0,1,0,0|1,0,1]=3 200 B13R2.2121 COC1=CC2=C(C=C1)OC(=N2)N Z1255435333 [0,0,0,1,0,0|3,0,0]=4 201 B13R2.2121 COC1=NC=C2CC(=O)NC2=C1 Z1198180903 [0,0,0,1,0,0|3,0,0]=4 202 B13R2.2121 N#CC1=CC2=C(C=C1)NC(=O)C2 Z336286144 [0,0,0,1,0,0|2,0,0]=3 203 B13R2.2121 N#CC1=CC2=C(C=C1)NC(=O)N2 Z1198169635 [0,0,0,1,0,0|3,0,0]=4 204 B13R2.2121 N#CC1=CC2=C(C=C1)NC(=O)O2 Z1255403754 [0,0,0,1,0,0|3,0,0]=4 205 B13R2.2121 NCC1=CC2=C(C=C1)NC(=O)C2 Z1431002537 [0,0,0,1,0,0|2,0,0]=3 206 B13R2.2121 O=CC1=CC2=C(C=C1)NC(=O)N2 Z385370012 [0,0,0,1,0,0|3,0,0]=4 207 B13R2.2121 O=CC1=CC2=C(C=C1)NC(=O)O2 Z385370014 [0,0,0,1,0,0|3,0,0]=4 208 B11R1.3 C#CC1=CC=C(C=C1)C(=O)N Z1203579154 [0,0,0,0,1,0|2,0,1]=4 209 B11R1.3 C=CC1=CC=C(C=C1)C(=O)N Z1203578780 [0,0,0,0,1,0|2,0,1]=4 210 B11R1.3 CC(=O)C1=CC=C(C=C1)C#N Z56820417 [0,0,0,0,1,0|2,0,0]=3 211 B11R1.3 CC(=O)C1=CC=C(C=C1)CN Z3018118044 [0,0,0,0,1,0|2,0,0]=3 212 B11R1.3 CCC1=CC=C(C=C1)C(=N)N Z1268152427 [0,0,0,0,1,0|3,0,0]=4 213 B11R1.3 CCC1=CC=C(C=C1)C(=O)O Z104478474 [0,0,0,0,1,0|2,0,0]=3 214 B11R1.3 CCC1=CC=C(C=C1)C(=S)N Z57989304 [0,0,0,0,1,0|2,1,0]=4 215 B11R1.3 CCC1=CC=C(C=C1)C(C)N Z56347251 [0,0,0,0,1,0|2,0,1]=4 216 B11R1.3 CCC1=CC=C(C=C1)[C@H](C)N Z1536943321 [0,0,0,0,1,0|2,0,1]=4 217 B11R1.3 CCC1=CN=C(C=C1)C(=O)O Z3693286572 [0,0,0,0,1,0|3,0,0]=4 218 B11R1.3 CCC1=NC=C(C=C1)C(=O)O Z5589439234 [0,0,0,0,1,0|3,0,0]=4 219 B11R1.3 CNC1=CC=C(C=C1)C(=N)N Z1815149179 [0,0,0,0,1,0|3,0,0]=4 220 B11R1.3 CNC1=CC=C(C=C1)C(=O)C Z1082871512 [0,0,0,0,1,0|1,0,0]=2 221 B11R1.3 CNC1=CC=C(C=C1)C(=O)N Z744754554 [0,0,0,0,1,0|2,0,0]=3 222 B11R1.3 CNC1=CC=C(C=C1)C(=O)O Z727574068 [0,0,0,0,1,0|2,0,0]=3 223 B11R1.3 CNC1=CC=C(C=C1)C(C)C Z1431904364 [0,0,0,0,1,0|2,0,1]=4 224 B11R1.3 CNC1=CN=C(C=C1)C(=O)O Z1498958162 [0,0,0,0,1,0|3,0,0]=4 225 B11R1.3 CNC1=NC=C(C=C1)C(=O)N Z960186538 [0,0,0,0,1,0|3,0,0]=4 226 B11R1.3 CNC1=NC=C(C=C1)C(=O)O Z330796292 [0,0,0,0,1,0|3,0,0]=4 227 B11R1.3 COC1=CC=C(C=C1)B(O)O Z336079536 [0,0,0,0,1,0|2,0,1]=4 228 B11R1.3 COC1=CC=C(C=C1)C(=N)N Z228583094 [0,0,0,0,1,0|2,0,0]=3 229 B11R1.3 COC1=CC=C(C=C1)C(=O)C Z53832960 [0,0,0,0,1,0|0,0,0]=1 230 B11R1.3 COC1=CC=C(C=C1)C(=O)N Z33546492 [0,0,0,0,1,0|1,0,0]=2 231 B11R1.3 COC1=CC=C(C=C1)C(=O)O Z56931884 [0,0,0,0,1,0|1,0,0]=2 232 B11R1.3 COC1=CC=C(C=C1)C(=S)N Z56964598 [0,0,0,0,1,0|1,1,0]=3 233 B11R1.3 COC1=CC=C(C=C1)C(C)O Z335245134 [0,0,0,0,1,0|0,0,2]=3 234 B11R1.3 COC1=CC=C(C=C1)N(C)C Z57243982 [0,0,0,0,1,0|2,0,0]=3 235 B11R1.3 COC1=CC=C(C=C1)[C@@H](C)O Z360055358 [0,0,0,0,1,0|0,0,2]=3 236 B11R1.3 COC1=CC=C(C=C1)[C@H](C)O Z360055354 [0,0,0,0,1,0|0,0,2]=3 237 B11R1.3 COC1=CC=C(C=C1)[N+](=O)[O-] Z31131411 [0,0,0,0,1,0|2,0,0]=3 238 B11R1.3 COC1=CN=C(C=C1)C(=N)N Z1255420591 [0,0,0,0,1,0|3,0,0]=4 239 B11R1.3 COC1=CN=C(N=C1)C(=O)O Z1255462743 [0,0,0,0,1,0|3,0,0]=4 240 B11R1.3 COC1=NC=C(C=C1)C(=N)N Z594272030 [0,0,0,0,1,0|3,0,0]=4 241 B11R1.3 COC1=NC=C(C=C1)C(=O)O Z135188086 [0,0,0,0,1,0|2,0,0]=3 242 B11R1.3 COC1=NC=C(C=C1)C(C)N Z3083124760 [0,0,0,0,1,0|2,0,1]=4 243 B11R1.3 COC1=NC=C(C=N1)C(=O)O Z274574982 [0,0,0,0,1,0|3,0,0]=4 244 B11R1.3 COC1=NN=C(C=C1)C(=O)O Z502287048 [0,0,0,0,1,0|3,0,0]=4 245 B11R1.3 CS(=O)C1=CC=C(C=C1)C=O Z1184878668 [0,0,0,0,1,0|3,0,0]=4 246 B11R1.3 CS(=O)C1=CC=C(C=C1)CN Z1269182102 [0,0,0,0,1,0|3,0,0]=4 247 B11R1.3 CSC1=CC=C(C=C1)C(=N)N Z1267881768 [0,0,0,0,1,0|2,1,0]=4 248 B11R1.3 CSC1=CC=C(C=C1)C(=O)C Z57036277 [0,0,0,0,1,0|0,1,0]=2 249 B11R1.3 CSC1=CC=C(C=C1)C(=O)O Z57989066 [0,0,0,0,1,0|1,1,0]=3 250 B11R1.3 CSC1=CC=C(C=C1)C(C)N Z425449608 [0,0,0,0,1,0|1,1,1]=4 251 B11R1.3 CSC1=NC=C(C=C1)C(=O)O Z732206884 [0,0,0,0,1,0|2,1,0]=4 252 B11R1.3 N#CC1=CC=C(C=C1)C(=O)N Z33546655 [0,0,0,0,1,0|3,0,0]=4 253 B11R1.3 N#CC1=CC=C(C=C1)C(=O)O Z104476114 [0,0,0,0,1,0|3,0,0]=4 254 B11R1.3 NC(=O)C1=CC=C(C=C1)C=O Z316909626 [0,0,0,0,1,0|3,0,0]=4 255 B11R1.3 NC(=O)C1=CC=C(C=C1)CCl Z154669306 [0,0,0,0,1,0|3,0,0]=4 256 B11R1.3 NC(=O)C1=CC=C(C=C1)CO Z33545420 [0,0,0,0,1,0|3,0,0]=4 257 B11R1.3 NCC1=CC=C(C=C1)C(=O)N Z57036329 [0,0,0,0,1,0|3,0,0]=4 258 B11R1.3 NNC1=CC=C(C=C1)C(=O)O Z56957167 [0,0,0,0,1,0|3,0,0]=4 259 B11R1.3 O=C(O)C1=CC=C(C=C1)CBr Z55993105 [0,0,0,0,1,0|3,0,0]=4 260 B11R1.3 O=C(O)C1=CC=C(C=C1)CCl Z111868896 [0,0,0,0,1,0|3,0,0]=4 261 B11R1.3 O=C(O)C1=CC=C(C=C1)CO Z56917404 [0,0,0,0,1,0|3,0,0]=4 262 B11R1.3 O=C(O)C1=CC=C(C=C1)CS Z57989315 [0,0,0,0,1,0|3,0,0]=4 263 B11R1.3 O=CC1=CC=C(C=C1)C(=O)O Z104475878 [0,0,0,0,1,0|3,0,0]=4 264 B11R1.43 CCN1C=CC(=N1)NC(=O)C Z2644639033 [0,0,0,0,1,0|3,0,0]=4 265 B13R1.3 CC(=O)NCC1=CC=C(C=C1)C=O Z1509193114 [0,0,0,0,0,1|2,0,0]=3 266 B13R1.3 CCC1=CC=C(C=C1)/C=C/C(=O)O Z2942851866 [0,0,0,0,0,1|3,0,0]=4 267 B13R1.3 CCC1=CC=C(C=C1)CCC(=O)N Z62734438 [0,0,0,0,0,1|3,0,0]=4 268 B13R1.3 CCC1=CC=C(C=C1)CCC(=O)O Z85929397 [0,0,0,0,0,1|3,0,0]=4 269 B13R1.3 CCC1=CC=C(C=C1)NCC(C)C Z334947802 [0,0,0,0,0,1|2,0,1]=4 270 B13R1.3 CCC1=CC=C(C=C1)OCC(=O)O Z56824185 [0,0,0,0,0,1|3,0,0]=4 271 B13R1.3 COC1=CC=C(C=C1)/C=C/C(=O)O Z56931888 [0,0,0,0,0,1|2,0,0]=3 272 B13R1.3 COC1=CC=C(C=C1)/C=C/[N+](=O)[O-] Z56755542 [0,0,0,0,0,1|3,0,0]=4 273 B13R1.3 COC1=CC=C(C=C1)C#CC(=O)O Z57100824 [0,0,0,0,0,1|2,0,0]=3 274 B13R1.3 COC1=CC=C(C=C1)CCC(=O)N Z33545386 [0,0,0,0,0,1|2,0,0]=3 275 B13R1.3 COC1=CC=C(C=C1)CCC(=O)O Z104486868 [0,0,0,0,0,1|2,0,0]=3 276 B13R1.3 COC1=CC=C(C=C1)CCC(C)N Z278080480 [0,0,0,0,0,1|2,0,1]=4 277 B13R1.3 COC1=CC=C(C=C1)CCN(C)C Z168912118 [0,0,0,0,0,1|3,0,0]=4 278 B13R1.3 COC1=CC=C(C=C1)CNC(=O)N Z198194812 [0,0,0,0,0,1|1,0,0]=2 279 B13R1.3 COC1=CC=C(C=C1)NCC(C)C Z2327691573 [0,0,0,0,0,1|1,0,1]=3 280 B13R1.3 COC1=CC=C(C=C1)OCC(=O)O Z57229609 [0,0,0,0,0,1|2,0,0]=3 281 B13R1.3 COC1=CC=C(C=C1)OCC(=S)N Z295395794 [0,0,0,0,0,1|2,1,0]=4 282 B13R1.3 COC1=CC=C(C=C1)SCC(=O)N Z51312064 [0,0,0,0,0,1|2,0,0]=3 283 B13R1.3 COC1=CC=C(C=C1)SCC(=O)O Z56770877 [0,0,0,0,0,1|2,0,0]=3 284 B13R1.3 COC1=CN=C(C=C1)/C=C/C(=O)O Z1815157394 [0,0,0,0,0,1|3,0,0]=4 285 B13R1.3 COC1=NC=C(C=C1)CCC(=O)O Z1255504957 [0,0,0,0,0,1|3,0,0]=4 286 B13R1.3 CSC1=CC=C(C=C1)/C=C/C(=O)O Z2895087258 [0,0,0,0,0,1|2,1,0]=4 287 B13R1.3 CSC1=CC=C(C=C1)CCC(=O)O Z363916360 [0,0,0,0,0,1|2,1,0]=4 288 B13R1.3 N#CC1=CC=C(C=C1)NCC(=O)O Z331870794 [0,0,0,0,0,1|3,0,0]=4 289 B10R1.1 CC1=CC=C(C=C1)CC=O Z993017610 [2,0,0,0,0,0|1,0,0]=3 290 B10R1.1 CCNC1=CC=C(C=C1)Br Z286365048 [2,0,0,0,0,0|1,0,1]=4 291 B10R1.1 CCNC1=CC=C(C=C1)Cl Z2902298062 [2,0,0,0,0,0|1,0,1]=4 292 B10R1.1 CCNC1=CC=C(C=C1)F Z89270849 [2,0,0,0,0,0|1,0,1]=4 293 B10R1.1 CCNC1=CC=C(C=C1)N Z359511474 [2,0,0,0,0,0|1,0,1]=4 294 B10R1.1 CCNC1=CC=C(C=C1)O Z1823256830 [2,0,0,0,0,0|0,0,1]=3 295 B10R1.1 CCOC1=CC=C(C=C1)C Z53834228 [2,0,0,0,0,0|1,0,1]=4 296 B10R1.1 CNCC1=CC=C(C=C1)C Z56944115 [2,0,0,0,0,0|2,0,0]=4 297 B10R1.1 O=CCC1=CC=C(C=C1)Br Z1079442512 [2,0,0,0,0,0|2,0,0]=4 298 B10R1.1 O=CCC1=CC=C(C=C1)Cl Z993017718 [2,0,0,0,0,0|2,0,0]=4 299 B10R1.1 O=CCC1=CC=C(C=C1)F Z993017752 [2,0,0,0,0,0|2,0,0]=4 300 B10R1.1 O=CNC1=CC=C(C=C1)O Z87002541 [2,0,0,0,0,0|0,0,0]=2 301 B10R1.18 CC(=O)CC1=CC=NC=C1 Z992409812 [2,0,0,0,0,0|2,0,0]=4 302 B10R1.18 CC(=O)NC1=CC=CC=C1 Z27782600 [2,0,0,0,0,0|0,0,0]=2 303 B10R1.18 CC(=O)NC1=CN=CC=C1 Z31791378 [2,0,0,0,0,0|1,0,0]=3 304 B10R1.18 CC(=O)NC1=NC=NC=C1 Z1216844375 [2,0,0,0,0,0|2,0,0]=4 305 B10R1.18 CC(C)NC1=CC=CC=C1 Z104475020 [2,0,0,0,0,0|1,0,1]=4 306 B10R1.18 NC(=O)CC1=CC=CC=C1 Z33546508 [2,0,0,0,0,0|2,0,0]=4 307 B10R1.18 NC(=O)NC1=NC=CC=C1 Z208358454 [2,0,0,0,0,0|2,0,0]=4 308 B10R1.18 NC(=O)OC1=CC=CC=C1 Z33547080 [2,0,0,0,0,0|2,0,0]=4 309 B10R1.18 NC(=S)NC1=CC=CC=C1 Z57474172 [2,0,0,0,0,0|1,1,0]=4 310 B10R1.3 C#CC1=CC=C(C=C1)C=O Z1203159515 [2,0,0,0,0,0|1,0,1]=4 311 B10R1.3 C=CC1=CC=C(C=C1)C=O Z1198150327 [2,0,0,0,0,0|1,0,1]=4 312 B10R1.3 CCC1=CC=C(C=C1)C=O Z104477712 [2,0,0,0,0,0|1,0,0]=3 313 B10R1.3 CCC1=CN=C(C=C1)C=O Z1198235245 [2,0,0,0,0,0|2,0,0]=4 314 B10R1.3 CCC1=NC=C(C=C1)C=O Z1255494858 [2,0,0,0,0,0|2,0,0]=4 315 B10R1.3 CNC1=CC=C(C=C1)C#N Z331873490 [2,0,0,0,0,0|2,0,0]=4 316 B10R1.3 CNC1=CC=C(C=C1)C=O Z1203730934 [2,0,0,0,0,0|1,0,0]=3 317 B10R1.3 CNC1=CC=C(C=C1)CN Z954985428 [2,0,0,0,0,0|2,0,0]=4 318 B10R1.3 CNC1=CC=C(C=C1)OC Z335282780 [2,0,0,0,0,0|0,0,0]=2 319 B10R1.3 CNC1=CC=C(C=C1)SC Z335261640 [2,0,0,0,0,0|0,1,0]=3 320 B10R1.3 CNC1=CN=C(C=C1)OC Z335249570 [2,0,0,0,0,0|1,0,0]=3 321 B10R1.3 CNC1=NC=C(C=C1)OC Z1255359415 [2,0,0,0,0,0|1,0,0]=3 322 B10R1.3 CNC1=NC=C(C=N1)OC Z1203748902 [2,0,0,0,0,0|2,0,0]=4 323 B10R1.3 COC1=CC=C(C=C1)C#N Z53834531 [2,0,0,0,0,0|1,0,1]=4 324 B10R1.3 COC1=CC=C(C=C1)C=O Z53833125 [2,0,0,0,0,0|0,0,0]=2 325 B10R1.3 COC1=CC=C(C=C1)CO Z54603098 [2,0,0,0,0,0|0,0,2]=4 326 B10R1.3 COC1=CC=C(C=C1)CS Z1255360358 [2,0,0,0,0,0|0,1,1]=4 327 B10R1.3 COC1=CC=C(C=C1)OC Z53833835 [2,0,0,0,0,0|1,0,0]=3 328 B10R1.3 COC1=CN=C(C=C1)C=O Z1198176556 [2,0,0,0,0,0|1,0,0]=3 329 B10R1.3 COC1=CN=C(N=C1)C=O Z1198277529 [2,0,0,0,0,0|2,0,0]=4 330 B10R1.3 COC1=NC=C(C=C1)C=O Z1255356725 [2,0,0,0,0,0|1,0,0]=3 331 B10R1.3 COC1=NC=C(C=N1)C=O Z274574980 [2,0,0,0,0,0|2,0,0]=4 332 B10R1.3 COC1=NN=C(C=C1)C=O Z1198278266 [2,0,0,0,0,0|2,0,0]=4 333 B10R1.3 CSC1=CC=C(C=C1)C=O Z104478194 [2,0,0,0,0,0|0,1,0]=3 334 B10R1.3 N#CC1=CC=C(C=C1)C=O Z104478052 [2,0,0,0,0,0|2,0,0]=4 335 B10R1.3 NCC1=CC=C(C=C1)C=O Z2418414207 [2,0,0,0,0,0|2,0,0]=4 336 B10R1.3 O=CC1=CC=C(C=C1)C=O Z104478582 [2,0,0,0,0,0|2,0,0]=4 337 B10R1.3 O=CC1=CC=C(C=C1)CBr Z1201624503 [2,0,0,0,0,0|2,0,0]=4 338 B10R1.3 O=CC1=CC=C(C=C1)CCl Z1198151895 [2,0,0,0,0,0|2,0,0]=4 339 B10R1.3 O=CC1=CC=C(C=C1)CF Z1255498899 [2,0,0,0,0,0|2,0,0]=4 340 B10R1.3 O=CC1=CC=C(C=C1)CO Z1255384176 [2,0,0,0,0,0|2,0,0]=4 341 B12R1.19 CC(=O)CC1=CC(=C(C=C1)Br)F Z1269186824 [1,1,0,0,0,0|2,0,0]=4 342 B12R1.19 CC(=O)CC1=CC(=C(C=C1)O)Br Z1269192817 [1,1,0,0,0,0|1,0,0]=3 343 B12R1.19 CC(=O)NC1=CC(=C(C=C1)Br)C Z30826447 [1,1,0,0,0,0|1,0,0]=3 344 B12R1.19 CC(=O)NC1=CC(=C(C=C1)C)Br Z296850122 [1,1,0,0,0,0|0,0,0]=2 345 B12R1.19 CC(=O)NC1=CC(=C(C=C1)C)Cl Z28153679 [1,1,0,0,0,0|0,0,0]=2 346 B12R1.19 CC(=O)NC1=CC(=C(C=C1)C)F Z30955086 [1,1,0,0,0,0|0,0,0]=2 347 B12R1.19 CC(=O)NC1=CC(=C(C=C1)C)N Z274783012 [1,1,0,0,0,0|0,0,0]=2 348 B12R1.19 CC(=O)NC1=CC(=C(C=C1)Cl)Cl Z28128347 [1,1,0,0,0,0|1,0,0]=3 349 B12R1.19 CC(=O)NC1=CC(=C(C=C1)Cl)N Z239122040 [1,1,0,0,0,0|1,0,0]=3 350 B12R1.19 CC(=O)NC1=CC(=C(C=C1)F)N Z235362917 [1,1,0,0,0,0|1,0,0]=3 351 B12R1.19 CC(=O)NC1=CC(=C(C=C1)N)Cl Z425366400 [1,1,0,0,0,0|1,0,0]=3 352 B12R1.19 CC(=O)NC1=CC(=C(C=C1)O)F Z1216844087 [1,1,0,0,0,0|0,0,0]=2 353 B12R1.19 CC(=O)NC1=NC(=C(C=C1)Br)C Z57345368 [1,1,0,0,0,0|2,0,0]=4 354 B12R1.19 CC(=O)NC1=NC(=C(C=C1)I)C Z57296057 [1,1,0,0,0,0|2,0,0]=4 355 B12R1.19 CC(=O)NC1=NC=C(C(=C1)Cl)Cl Z1297118487 [1,1,0,0,0,0|2,0,0]=4 356 B12R1.19 CC1=C(C=C(C=C1)CC(=O)O)Br Z1269160930 [1,1,0,0,0,0|2,0,0]=4 357 B12R1.19 CC1=C(C=C(C=C1)CC(=O)O)C Z56923286 [1,1,0,0,0,0|2,0,0]=4 358 B12R1.19 CC1=C(C=C(C=C1)CC(=O)O)Cl Z1198264457 [1,1,0,0,0,0|2,0,0]=4 359 B12R1.19 CC1=C(C=C(C=C1)CC(=O)O)O Z1198166108 [1,1,0,0,0,0|2,0,0]=4 360 B12R1.19 CC1=C(C=C(C=C1)NC(=O)N)C Z107732966 [1,1,0,0,0,0|1,0,0]=3 361 B12R1.19 CC1=C(C=C(C=C1)NC(=O)N)F Z198194884 [1,1,0,0,0,0|1,0,0]=3 362 B12R1.19 CC1=C(C=C(C=C1)NC(=S)N)C Z56951808 [1,1,0,0,0,0|1,1,0]=4 363 B12R1.19 CC1=C(C=C(C=C1)NC(=S)N)F Z111411720 [1,1,0,0,0,0|1,1,0]=4 364 B12R1.19 CC1=C(C=CC(=C1)CC(=O)O)O Z1198169209 [1,1,0,0,0,0|2,0,0]=4 365 B12R1.19 CC1=C(C=CC(=C1)NC(=O)N)Br Z198194748 [1,1,0,0,0,0|2,0,0]=4 366 B12R1.19 NC(=O)NC1=CC(=C(C=C1)Br)F Z1263540637 [1,1,0,0,0,0|2,0,0]=4 367 B12R1.19 NC(=O)NC1=CC(=C(C=C1)Cl)N Z239124000 [1,1,0,0,0,0|2,0,0]=4 368 B12R1.19 NC(=O)NC1=CC(=C(C=C1)F)Cl Z198194754 [1,1,0,0,0,0|2,0,0]=4 369 B12R1.19 O=C(O)CC1=CC(=C(C=C1)O)Cl Z1205411134 [1,1,0,0,0,0|2,0,0]=4 370 B12R1.19 O=C(O)CC1=CC(=C(C=C1)O)F Z1255445925 [1,1,0,0,0,0|2,0,0]=4 371 B12R1.19 O=C(O)CC1=CC(=C(C=C1)O)O Z1255438427 [1,1,0,0,0,0|2,0,0]=4 372 B12R1.20 C=C(C)C(=O)C1=CC=C(C=C1)O Z1513599636 [1,1,0,0,0,0|2,0,0]=4 373 B12R1.20 CC(=O)C(C)C1=CC=C(C=C1)Cl Z1276728135 [1,1,0,0,0,0|2,0,0]=4 374 B12R1.20 CC(=O)C(Cl)C1=CC=C(C=C1)F Z1255439681 [1,1,0,0,0,0|2,0,0]=4 375 B12R1.20 CC(=O)N(C)C1=CC=C(C=C1)N Z147641478 [1,1,0,0,0,0|1,0,0]=3 376 B12R1.20 CC(=O)N(C)C1=CC=C(C=C1)O Z335806634 [1,1,0,0,0,0|0,0,0]=2 377 B12R1.20 CC(=O)N(C)C1=NC=C(C=C1)Br Z737394524 [1,1,0,0,0,0|2,0,0]=4 378 B12R1.20 CC(=O)N(C)C1=NC=C(C=C1)N Z1262645391 [1,1,0,0,0,0|2,0,0]=4 379 B12R1.20 CC1=CC=C(C=C1)C(=O)C(=O)O Z118430526 [1,1,0,0,0,0|2,0,0]=4 380 B12R1.20 CC1=CC=C(C=C1)C(C)C(=O)O Z792377274 [1,1,0,0,0,0|2,0,0]=4 381 B12R1.20 CC1=CC=C(C=C1)C(N)C(=O)O Z317024662 [1,1,0,0,0,0|2,0,0]=4 382 B12R1.20 CN(C(=O)N)C1=CC=C(C=C1)O Z285211056 [1,1,0,0,0,0|1,0,0]=3 383 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(C=C1)O Z1198149764 [1,1,0,0,0,0|2,0,0]=4 384 B12R1.20 N[C@H](C(=O)O)C1=CC=C(C=C1)O Z1255364887 [1,1,0,0,0,0|2,0,0]=4 385 B12R1.20 O=C(O)C(=O)C1=CC=C(C=C1)O Z2472464309 [1,1,0,0,0,0|2,0,0]=4 386 B12R1.49 C/C(=C\C1=CC=C(C=C1)Cl)/C=O Z1251359146 [1,1,0,0,0,0|2,0,0]=4 387 B12R1.49 C=CC(=O)NC1=CC=C(C=C1)Br Z381016676 [1,1,0,0,0,0|1,0,1]=4 388 B12R1.49 C=CC(=O)NC1=CC=C(C=C1)C Z440633654 [1,1,0,0,0,0|0,0,1]=3 389 B12R1.49 C=CC(=O)NC1=CC=C(C=C1)Cl Z440633664 [1,1,0,0,0,0|1,0,1]=4 390 B12R1.49 C=CC(=O)NC1=CC=C(C=C1)F Z424770410 [1,1,0,0,0,0|1,0,1]=4 391 B12R1.49 C=CC(=O)NC1=NC=C(C=C1)C Z440634044 [1,1,0,0,0,0|1,0,1]=4 392 B12R1.49 CC1=CC=C(C=C1)CC(=O)CCl Z316174762 [1,1,0,0,0,0|1,0,0]=3 393 B12R1.49 CC1=CC=C(C=C1)CC(=O)NO Z90728587 [1,1,0,0,0,0|2,0,0]=4 394 B12R1.49 CC1=CC=C(C=C1)NC(=O)CCl Z56862730 [1,1,0,0,0,0|0,0,0]=2 395 B12R1.49 CC1=CC=C(C=C1)NC(=O)CO Z228585410 [1,1,0,0,0,0|0,0,0]=2 396 B12R1.49 CC1=CC=C(C=C1)NC(=S)NN Z56813496 [1,1,0,0,0,0|1,1,0]=4 397 B12R1.49 CC1=CN=C(C=C1)NC(=O)CCl Z2934526788 [1,1,0,0,0,0|1,0,0]=3 398 B12R1.49 CCC(=O)CC1=CC=C(C=C1)Br Z513733694 [1,1,0,0,0,0|2,0,0]=4 399 B12R1.49 CCC(=O)CC1=CC=C(C=C1)C Z513735300 [1,1,0,0,0,0|1,0,0]=3 400 B12R1.49 CCC(=O)NC1=CC=C(C=C1)F Z27805867 [1,1,0,0,0,0|1,0,0]=3 401 B12R1.49 CCC(=O)NC1=CC=C(C=C1)I Z30316420 [1,1,0,0,0,0|1,0,0]=3 402 B12R1.49 CCC(=O)NC1=CC=C(C=C1)N Z432066898 [1,1,0,0,0,0|1,0,0]=3 403 B12R1.49 CCC(=O)NC1=CC=C(C=C1)O Z223656304 [1,1,0,0,0,0|0,0,0]=2 404 B12R1.49 CCC(=O)NC1=NC=C(C=C1)Br Z71408681 [1,1,0,0,0,0|2,0,0]=4 405 B12R1.49 CCC(=O)NC1=NC=C(C=C1)C Z71579644 [1,1,0,0,0,0|1,0,0]=3 406 B12R1.49 CCC(=O)NC1=NC=C(C=C1)Cl Z71484814 [1,1,0,0,0,0|2,0,0]=4 407 B12R1.49 CNC(=O)CC1=CC=C(C=C1)Br Z30272406 [1,1,0,0,0,0|2,0,0]=4 408 B12R1.49 CNC(=O)CC1=CC=C(C=C1)N Z239124750 [1,1,0,0,0,0|2,0,0]=4 409 B12R1.49 CNC(=O)CC1=CC=C(C=C1)O Z135505392 [1,1,0,0,0,0|1,0,0]=3 410 B12R1.49 CNC(=O)NC1=CC=C(C=C1)Cl Z55293750 [1,1,0,0,0,0|1,0,0]=3 411 B12R1.49 CNC(=O)NC1=CC=C(C=C1)F Z55293762 [1,1,0,0,0,0|1,0,0]=3 412 B12R1.49 CNC(=O)NC1=CC=C(C=C1)N Z246671880 [1,1,0,0,0,0|1,0,0]=3 413 B12R1.49 COC(=O)CC1=CC=C(C=C1)Br Z18830099 [1,1,0,0,0,0|2,0,0]=4 414 B12R1.49 COC(=O)CC1=CC=C(C=C1)Cl Z18425668 [1,1,0,0,0,0|2,0,0]=4 415 B12R1.49 COC(=O)CC1=CC=C(C=C1)N Z285139238 [1,1,0,0,0,0|2,0,0]=4 416 B12R1.49 COC(=O)NC1=CC=C(C=C1)Br Z56758690 [1,1,0,0,0,0|1,0,0]=3 417 B12R1.49 COC(=O)NC1=CC=C(C=C1)N Z319610150 [1,1,0,0,0,0|1,0,0]=3 418 B12R1.49 COC(=O)NC1=CC=C(C=C1)O Z335810072 [1,1,0,0,0,0|0,0,0]=2 419 B12R1.49 NCC(=O)CC1=CC=C(C=C1)F Z1889902528 [1,1,0,0,0,0|2,0,0]=4 420 B12R1.49 NCC(=O)NC1=CC=C(C=C1)Br Z594272012 [1,1,0,0,0,0|1,0,0]=3 421 B12R1.49 NCC(=O)NC1=CC=C(C=C1)Cl Z803145238 [1,1,0,0,0,0|1,0,0]=3 422 B12R1.49 NCC(=O)NC1=CC=C(C=C1)N Z2895972079 [1,1,0,0,0,0|1,0,0]=3 423 B12R1.49 NCC(=O)NC1=CC=C(C=C1)O Z1262237164 [1,1,0,0,0,0|0,0,0]=2 424 B12R1.49 O=C(CC1=CC=C(C=C1)O)NO Z135512374 [1,1,0,0,0,0|2,0,0]=4 425 B12R1.49 O=C(CCl)CC1=CC=C(C=C1)Br Z408178414 [1,1,0,0,0,0|2,0,0]=4 426 B12R1.49 O=C(CCl)CC1=CC=C(C=C1)Cl Z316174770 [1,1,0,0,0,0|2,0,0]=4 427 B12R1.49 O=C(CCl)CC1=CC=C(C=C1)F Z316174768 [1,1,0,0,0,0|2,0,0]=4 428 B12R1.49 O=C(CCl)NC1=CC=C(C=C1)Br Z56899212 [1,1,0,0,0,0|1,0,0]=3 429 B12R1.49 O=C(CCl)NC1=CC=C(C=C1)Cl Z56867253 [1,1,0,0,0,0|1,0,0]=3 430 B12R1.49 O=C(CCl)NC1=CC=C(C=C1)F Z56755193 [1,1,0,0,0,0|1,0,0]=3 431 B12R1.49 O=C(CCl)NC1=CC=C(C=C1)I Z56869425 [1,1,0,0,0,0|1,0,0]=3 432 B12R1.49 O=C(CCl)NC1=CC=C(C=C1)O Z166646964 [1,1,0,0,0,0|0,0,0]=2 433 B12R1.49 O=C(CCl)NC1=CN=C(C=C1)Cl Z239813676 [1,1,0,0,0,0|2,0,0]=4 434 B12R1.49 O=C(CCl)NC1=NC=C(C=C1)Br Z199472018 [1,1,0,0,0,0|2,0,0]=4 435 B12R1.49 O=C(CCl)NC1=NC=C(C=C1)Cl Z56887743 [1,1,0,0,0,0|2,0,0]=4 436 B12R1.49 O=C(CCl)NC1=NC=C(C=C1)F Z4202670930 [1,1,0,0,0,0|2,0,0]=4 437 B12R1.49 O=C(CO)CC1=CC=C(C=C1)F Z906206828 [1,1,0,0,0,0|2,0,0]=4 438 B12R1.49 O=C(CO)NC1=CC=C(C=C1)Cl Z228585484 [1,1,0,0,0,0|1,0,0]=3 439 B12R1.106 CS(=O)(=O)NC1=CC=C(C=C1)Br Z45620035 [1,1,0,0,0,0|2,0,0]=4 440 B12R1.106 CS(=O)(=O)NC1=CC=C(C=C1)N Z234901478 [1,1,0,0,0,0|2,0,0]=4 441 B12R1.106 CS(=O)(=O)NC1=CC=C(C=C1)O Z45652935 [1,1,0,0,0,0|1,0,0]=3 442 B12R1.106 CS(=O)(=O)NC1=NC=C(C=C1)O Z1255363181 [1,1,0,0,0,0|2,0,0]=4 443 B12R1.106 NS(=O)(=O)NC1=CC=C(C=C1)O Z335810542 [1,1,0,0,0,0|2,0,0]=4 444 B12R1.233 CC(=O)CC1=C(C=C(C=C1)Br)F Z992965764 [1,1,0,0,0,0|2,0,0]=4 445 B12R1.233 CC(=O)CC1=C(C=C(C=C1)Cl)F Z1198331241 [1,1,0,0,0,0|2,0,0]=4 446 B12R1.233 CC(=O)CC1=C(C=C(C=C1)F)Br Z992965738 [1,1,0,0,0,0|2,0,0]=4 447 B12R1.233 CC(=O)NC1=C(C=C(C=C1)Br)C Z26621747 [1,1,0,0,0,0|1,0,0]=3 448 B12R1.233 CC(=O)NC1=C(C=C(C=C1)Br)Cl Z29819536 [1,1,0,0,0,0|1,0,0]=3 449 B12R1.233 CC(=O)NC1=C(C=C(C=C1)Br)F Z30824336 [1,1,0,0,0,0|1,0,0]=3 450 B12R1.233 CC(=O)NC1=C(C=C(C=C1)Br)N Z362832080 [1,1,0,0,0,0|1,0,0]=3 451 B12R1.233 CC(=O)NC1=C(C=C(C=C1)C)Br Z26522737 [1,1,0,0,0,0|0,0,0]=2 452 B12R1.233 CC(=O)NC1=C(C=C(C=C1)C)C Z27801599 [1,1,0,0,0,0|0,0,0]=2 453 B12R1.233 CC(=O)NC1=C(C=C(C=C1)C)N Z274782976 [1,1,0,0,0,0|0,0,0]=2 454 B12R1.233 CC(=O)NC1=C(C=C(C=C1)C)O Z33451994 [1,1,0,0,0,0|0,0,0]=2 455 B12R1.233 CC(=O)NC1=C(C=C(C=C1)Cl)N Z239120680 [1,1,0,0,0,0|1,0,0]=3 456 B12R1.233 CC(=O)NC1=C(C=C(C=C1)F)Br Z361888984 [1,1,0,0,0,0|1,0,0]=3 457 B12R1.233 CC(=O)NC1=C(C=C(C=C1)F)C Z29827980 [1,1,0,0,0,0|1,0,0]=3 458 B12R1.233 CC(=O)NC1=C(C=C(C=C1)F)F Z30802596 [1,1,0,0,0,0|1,0,0]=3 459 B12R1.233 CC(=O)NC1=C(C=C(C=C1)I)C Z30179236 [1,1,0,0,0,0|1,0,0]=3 460 B12R1.233 CC(=O)NC1=C(C=C(C=C1)I)Cl Z394383940 [1,1,0,0,0,0|1,0,0]=3 461 B12R1.233 CC(=O)NC1=C(C=C(C=C1)N)C Z239121088 [1,1,0,0,0,0|1,0,0]=3 462 B12R1.233 CC(=O)NC1=C(C=C(C=C1)N)Cl Z223844400 [1,1,0,0,0,0|1,0,0]=3 463 B12R1.233 CC(=O)OC1=C(C=C(C=C1)Br)C Z1516170019 [1,1,0,0,0,0|2,0,0]=4 464 B12R1.233 CC(=O)OC1=C(C=C(C=C1)Br)Cl Z26745892 [1,1,0,0,0,0|2,0,0]=4 465 B12R1.233 CC1=CC(=C(C=C1)CC(=O)O)Br Z1269232519 [1,1,0,0,0,0|2,0,0]=4 466 B12R1.233 CC1=CC(=C(C=C1)NC(=O)N)C Z56754685 [1,1,0,0,0,0|1,0,0]=3 467 B12R1.233 CC1=CC(=C(C=C1)NC(=O)N)F Z359376242 [1,1,0,0,0,0|1,0,0]=3 468 B12R1.233 CC1=CC(=C(C=C1)NC(C)C)C Z1259341051 [1,1,0,0,0,0|1,0,1]=4 469 B12R1.233 NC(=O)NC1=C(C=C(C=C1)I)Br Z1352765519 [1,1,0,0,0,0|2,0,0]=4 470 B12R1.233 O=C(O)CC1=C(C=C(C=C1)O)Cl Z1198307592 [1,1,0,0,0,0|2,0,0]=4 471 B12R1.5 CCC(N)C1=CC=C(C=C1)OC Z85929849 [1,1,0,0,0,0|1,0,1]=4 472 B12R1.5 CCC(O)C1=CC=C(C=C1)OC Z228586320 [1,1,0,0,0,0|1,0,1]=4 473 B12R1.5 CCC1=CC=C(C=C1)C(C)C=O Z1255424702 [1,1,0,0,0,0|2,0,0]=4 474 B12R1.5 CNC(=O)C1=CC=C(C=C1)OC Z32016396 [1,1,0,0,0,0|2,0,0]=4 475 B12R1.5 CNC(C)C1=CC=C(C=C1)OC Z239628826 [1,1,0,0,0,0|2,0,0]=4 476 B12R1.5 COC1=CC=C(C=C1)C(C)C=O Z1255380175 [1,1,0,0,0,0|1,0,0]=3 477 B12R1.5 COC1=CC=C(C=C1)[C@H](C)C=O Z1511751525 [1,1,0,0,0,0|1,0,0]=3 478 B12R1.5 CSC1=CC=C(C=C1)C(=O)C=O Z2289798581 [1,1,0,0,0,0|1,1,0]=4 479 B12R1.5 CSC1=CC=C(C=C1)C(C)C=O Z1511826610 [1,1,0,0,0,0|1,1,0]=4 480 B12R1.71 C#CCNC1=CC=C(C=C1)OC Z266490072 [1,1,0,0,0,0|0,0,2]=4 481 B12R1.71 CCC1=CC=C(C=C1)/C=C/CO Z1913661008 [1,1,0,0,0,0|2,0,0]=4 482 B12R1.71 CCC1=CC=C(C=C1)CCC=O Z993017820 [1,1,0,0,0,0|2,0,0]=4 483 B12R1.71 CCCNC1=CC=C(C=C1)CC Z334948098 [1,1,0,0,0,0|1,0,1]=4 484 B12R1.71 CCNCC1=CC=C(C=C1)OC Z451452322 [1,1,0,0,0,0|0,0,1]=3 485 B12R1.71 COC1=CC=C(C=C1)CCC=O Z1079442590 [1,1,0,0,0,0|1,0,0]=3 486 B12R1.71 COC1=CC=C(C=C1)CCCN Z291234224 [1,1,0,0,0,0|1,0,1]=4 487 B12R1.71 COC1=CC=C(C=C1)NCC#N Z266491018 [1,1,0,0,0,0|0,0,2]=4 488 B12R1.71 COC1=CC=C(C=C1)OCCBr Z56886539 [1,1,0,0,0,0|1,0,1]=4 489 B12R1.71 COC1=CC=C(C=C1)OCCN Z54845983 [1,1,0,0,0,0|1,0,1]=4 490 B12R1.71 COC1=CC=C(C=C1)SCC=O Z854102788 [1,1,0,0,0,0|1,0,0]=3 491 B12R1.71 COC1=NC=C(C=C1)NCCO Z335249622 [1,1,0,0,0,0|1,0,1]=4 492 B12R1.113 CC(C)C1=CC=C(C=C1)CC=O Z1020792742 [1,1,0,0,0,0|2,0,0]=4 493 B12R1.113 O=CNC1=CC=C(C=C1)C(=O)O Z760037024 [1,1,0,0,0,0|2,0,0]=4 494 B12R1.114 CCOC1=C(C=C(C=C1)OC)N Z239604774 [1,1,0,0,0,0|1,0,1]=4 495 B12R1.114 COC1=CC(=C(C=C1)CC=O)C Z1198313230 [1,1,0,0,0,0|1,0,0]=3 496 B12R1.288 CCCC1=CC(=C(C=C1)OC)O Z87001810 [1,1,0,0,0,0|1,0,1]=4 497 B12R1.288 CNCC1=CC(=C(C=C1)OC)Br Z3243654223 [1,1,0,0,0,0|2,0,0]=4 498 B12R1.288 CNCC1=CC(=C(C=C1)OC)C Z1101435075 [1,1,0,0,0,0|2,0,0]=4 499 B12R1.288 CNCC1=CC(=C(C=C1)OC)Cl Z839166898 [1,1,0,0,0,0|2,0,0]=4 500 B12R1.288 CNCC1=CC(=C(C=C1)OC)F Z85956704 [1,1,0,0,0,0|2,0,0]=4 501 B12R1.288 CNCC1=CC(=C(C=C1)OC)O Z57842333 [1,1,0,0,0,0|2,0,0]=4 502 B12R1.288 COC1=C(C=C(C=C1)NC#N)Cl Z991532186 [1,1,0,0,0,0|1,0,1]=4 503 B12R1.6 CCC1=CC=C(C=C1)S(=O)(=O)C Z1198163251 [0,1,0,0,1,0|2,0,0]=4 504 B12R1.6 CNC1=CC=C(C=C1)S(=O)(=O)C Z335272338 [0,1,0,0,1,0|2,0,0]=4 505 B12R1.6 COC1=CC=C(C=C1)C(C)(C)O Z449374328 [0,1,0,0,1,0|0,0,2]=4 506 B12R1.6 COC1=CC=C(C=C1)S(=O)(=O)C Z196125820 [0,1,0,0,1,0|1,0,0]=3 507 B12R1.6 COC1=CC=C(C=C1)S(=O)(=O)Cl Z56860355 [0,1,0,0,1,0|2,0,0]=4 508 B12R1.6 COC1=CC=C(C=C1)S(=O)(=O)N Z45415561 [0,1,0,0,1,0|2,0,0]=4 509 B12R1.48 CC(=O)C1=CC(=C(C=C1)C#N)F Z1198275545 [0,1,0,0,1,0|2,0,0]=4 510 B12R1.48 CCC1=C(C=C(C=C1)C(=O)O)Cl Z1255376027 [0,1,0,0,1,0|2,0,0]=4 511 B12R1.48 CCC1=C(C=C(C=C1)C(=O)O)F Z1255438299 [0,1,0,0,1,0|2,0,0]=4 512 B12R1.48 CCC1=C(C=C(C=C1)C(=O)O)N Z1079174536 [0,1,0,0,1,0|2,0,0]=4 513 B12R1.48 CNC1=C(C=C(C=C1)C(=O)O)F Z995130308 [0,1,0,0,1,0|2,0,0]=4 514 B12R1.48 CNC1=C(C=C(C=C1)C(=O)O)N Z1945708092 [0,1,0,0,1,0|2,0,0]=4 515 B12R1.48 COC1=C(C=C(C=C1)C(=N)N)Cl Z2452277009 [0,1,0,0,1,0|2,0,0]=4 516 B12R1.48 COC1=C(C=C(C=C1)C(=O)C)Br Z57042009 [0,1,0,0,1,0|0,0,0]=2 517 B12R1.48 COC1=C(C=C(C=C1)C(=O)C)C Z415732058 [0,1,0,0,1,0|0,0,0]=2 518 B12R1.48 COC1=C(C=C(C=C1)C(=O)C)Cl Z331027654 [0,1,0,0,1,0|0,0,0]=2 519 B12R1.48 COC1=C(C=C(C=C1)C(=O)C)F Z85921976 [0,1,0,0,1,0|0,0,0]=2 520 B12R1.48 COC1=C(C=C(C=C1)C(=O)C)O Z1255365043 [0,1,0,0,1,0|0,0,0]=2 521 B12R1.48 COC1=C(C=C(C=C1)C(=O)N)Br Z101186024 [0,1,0,0,1,0|1,0,0]=3 522 B12R1.48 COC1=C(C=C(C=C1)C(=O)N)F Z87615059 [0,1,0,0,1,0|1,0,0]=3 523 B12R1.48 COC1=C(C=C(C=C1)C(=O)N)N Z239125322 [0,1,0,0,1,0|1,0,0]=3 524 B12R1.48 COC1=C(C=C(C=C1)C(=O)O)Br Z57663652 [0,1,0,0,1,0|1,0,0]=3 525 B12R1.48 COC1=C(C=C(C=C1)C(=O)O)Cl Z57790676 [0,1,0,0,1,0|1,0,0]=3 526 B12R1.48 COC1=C(C=C(C=C1)C(=O)O)F Z57169536 [0,1,0,0,1,0|1,0,0]=3 527 B12R1.48 COC1=C(C=C(C=C1)C(=O)O)I Z57200689 [0,1,0,0,1,0|1,0,0]=3 528 B12R1.48 COC1=C(C=C(C=C1)C(=O)O)N Z274783176 [0,1,0,0,1,0|1,0,0]=3 529 B12R1.48 COC1=C(C=C(C=C1)C(=O)O)O Z381356676 [0,1,0,0,1,0|1,0,0]=3 530 B12R1.48 COC1=C(C=C(C=C1)C(C)C)O Z1255440315 [0,1,0,0,1,0|1,0,1]=4 531 B12R1.48 COC1=C(C=C(C=C1)C(C)O)Cl Z756121270 [0,1,0,0,1,0|0,0,2]=4 532 B12R1.48 COC1=C(C=C(C=C1)C(C)O)F Z220335558 [0,1,0,0,1,0|0,0,2]=4 533 B12R1.48 COC1=C(C=C(C=C1)[C@@H](C)O)Br Z360056130 [0,1,0,0,1,0|0,0,2]=4 534 B12R1.48 COC1=C(C=C(C=C1)[N+](=O)[O-])N Z56782014 [0,1,0,0,1,0|2,0,0]=4 535 B12R1.48 COC1=C(C=C(C=N1)C(=O)C)Cl Z1255495809 [0,1,0,0,1,0|1,0,0]=3 536 B12R1.48 COC1=C(C=C(C=N1)C(=O)O)Br Z1269152701 [0,1,0,0,1,0|2,0,0]=4 537 B12R1.48 COC1=C(N=C(C=C1)C(=O)O)Cl Z1198174178 [0,1,0,0,1,0|2,0,0]=4 538 B12R1.48 COC1=CNC(=CC1=O)C(=O)O Z1198280174 [0,1,0,0,1,0|2,0,0]=4 539 B12R1.48 COC1=COC(=CC1=O)C(=O)O Z1198280173 [0,1,0,0,1,0|2,0,0]=4 540 B12R1.48 CSC1=C(C=C(C=C1)C(=O)C)F Z732207810 [0,1,0,0,1,0|0,1,0]=3 541 B12R1.256 CC(=O)C1=CC=C(C=C1)B(O)O Z1203161683 [0,1,0,0,1,0|2,0,0]=4 542 B12R1.256 CC(=O)C1=CC=C(C=C1)C(=O)O Z335574216 [0,1,0,0,1,0|2,0,0]=4 543 B12R1.256 CC(=O)C1=CC=C(C=C1)C(C)C Z56963407 [0,1,0,0,1,0|1,0,0]=3 544 B12R1.256 CC(=O)C1=CC=C(C=C1)N(C)C Z56978035 [0,1,0,0,1,0|1,0,0]=3 545 B12R1.256 CC(=O)C1=CC=C(C=C1)S(=O)C Z1276746404 [0,1,0,0,1,0|0,1,0]=3 546 B12R1.256 CC(=O)C1=CC=C(C=C1)[N+](=O)[O-] Z104473102 [0,1,0,0,1,0|2,0,0]=4 547 B12R1.256 CC(C)C1=CC=C(C=C1)C(=O)N Z33546608 [0,1,0,0,1,0|2,0,0]=4 548 B12R1.256 CC(O)C1=CC=C(C=C1)C(=O)O Z1198155605 [0,1,0,0,1,0|2,0,0]=4 549 B12R1.256 CN(C)C1=CC=C(C=C1)C(=O)N Z33546672 [0,1,0,0,1,0|2,0,0]=4 550 B12R1.256 CN(C)C1=CC=C(C=C1)C(=O)O Z104476964 [0,1,0,0,1,0|2,0,0]=4 551 B12R1.256 CS(=O)C1=CC=C(C=C1)C(=O)O Z119989874 [0,1,0,0,1,0|1,1,0]=4 552 B12R1.452 CC(=O)C1=C(C=C(C=C1)C#N)F Z1624971400 [0,1,0,0,1,0|2,0,0]=4 553 B12R1.452 CCC1=CC(=C(C=C1)C(=O)O)C Z1255422069 [0,1,0,0,1,0|2,0,0]=4 554 B12R1.452 CCC1=CC(=C(C=C1)C(=O)O)Cl Z1255359653 [0,1,0,0,1,0|2,0,0]=4 555 B12R1.452 CCC1=CC(=C(C=C1)C(=O)O)F Z1255434596 [0,1,0,0,1,0|2,0,0]=4 556 B12R1.452 CCC1=CC(=C(C=C1)C(=O)O)N Z1188031184 [0,1,0,0,1,0|2,0,0]=4 557 B12R1.452 CCC1=CC(=C(C=C1)C(=O)O)O Z1255367412 [0,1,0,0,1,0|2,0,0]=4 558 B12R1.452 CNC1=CC(=C(C=C1)C(=O)N)Br Z2511811300 [0,1,0,0,1,0|2,0,0]=4 559 B12R1.452 CNC1=CC(=C(C=C1)C(=O)O)Cl Z1042084040 [0,1,0,0,1,0|2,0,0]=4 560 B12R1.452 COC1=CC(=C(C=C1)C(=O)C)Br Z454080406 [0,1,0,0,1,0|0,0,0]=2 561 B12R1.452 COC1=CC(=C(C=C1)C(=O)C)C Z285137066 [0,1,0,0,1,0|0,0,0]=2 562 B12R1.452 COC1=CC(=C(C=C1)C(=O)C)N Z1198165201 [0,1,0,0,1,0|0,0,0]=2 563 B12R1.452 COC1=CC(=C(C=C1)C(=O)C)O Z57101020 [0,1,0,0,1,0|0,0,0]=2 564 B12R1.452 COC1=CC(=C(C=C1)C(=O)N)O Z57032591 [0,1,0,0,1,0|1,0,0]=3 565 B12R1.452 COC1=CC(=C(C=C1)C(=O)O)Br Z454080610 [0,1,0,0,1,0|1,0,0]=3 566 B12R1.452 COC1=CC(=C(C=C1)C(=O)O)Cl Z431962480 [0,1,0,0,1,0|1,0,0]=3 567 B12R1.452 COC1=CC(=C(C=C1)C(=O)O)F Z89264974 [0,1,0,0,1,0|1,0,0]=3 568 B12R1.452 COC1=CC(=C(C=C1)C(=O)O)I Z1269201449 [0,1,0,0,1,0|1,0,0]=3 569 B12R1.452 COC1=CC(=C(C=C1)C(=O)O)N Z367452116 [0,1,0,0,1,0|1,0,0]=3 570 B12R1.452 COC1=CC(=C(C=C1)C(=O)O)O Z104499836 [0,1,0,0,1,0|1,0,0]=3 571 B12R1.452 COC1=CC(=C(C=C1)[C@H](C)O)Br Z1541833075 [0,1,0,0,1,0|0,0,2]=4 572 B12R1.452 COC1=CC(=C(C=C1)[N+](=O)[O-])Br Z425364656 [0,1,0,0,1,0|2,0,0]=4 573 B12R1.452 COC1=CC(=C(C=C1)[N+](=O)[O-])C Z208835124 [0,1,0,0,1,0|2,0,0]=4 574 B12R1.452 COC1=CC(=C(C=C1)[N+](=O)[O-])N Z111691250 [0,1,0,0,1,0|2,0,0]=4 575 B12R1.452 COC1=CC(=C(C=C1)[N+](=O)[O-])O Z1079458544 [0,1,0,0,1,0|2,0,0]=4 576 B12R1.452 COC1=CC(=C(N=C1)C(=O)O)F Z1255367222 [0,1,0,0,1,0|2,0,0]=4 577 B12R1.452 COC1=NC(=C(C=C1)C(=O)C)C Z1255449232 [0,1,0,0,1,0|1,0,0]=3 578 B12R1.452 COC1=NC(=C(C=C1)C(=O)O)C Z1255389271 [0,1,0,0,1,0|2,0,0]=4 579 B12R1.452 COC1=NC=C(C(=C1)C)C(=O)O Z1255418820 [0,1,0,0,1,0|2,0,0]=4 580 B12R1.452 CSC1=CC(=C(C=C1)C(=O)C)Cl Z871801792 [0,1,0,0,1,0|0,1,0]=3 581 B12R1.452 CSC1=CC(=C(C=C1)C(=O)O)Cl Z1042085326 [0,1,0,0,1,0|1,1,0]=4 582 B14R1.2 COC1=CC=C(C=C1)/C(=C/C(=O)O)/C Z352747052 [0,1,0,0,0,1|2,0,0]=4 583 B14R1.2 COC1=CC=C(C=C1)C(=O)CC(=O)C Z359504404 [0,1,0,0,0,1|1,0,0]=3 584 B14R1.2 COC1=CC=C(C=C1)C(C)CC(=O)O Z352782172 [0,1,0,0,0,1|2,0,0]=4 585 B14R1.2 COC1=CC=C(C=C1)C(N)CC(=O)O Z147647160 [0,1,0,0,0,1|2,0,0]=4 586 B14R1.3 COC1=CC=C(C=C1)CC(C)C(=O)O Z513659616 [0,1,0,0,0,1|2,0,0]=4 587 B14R1.3 COC1=CC=C(C=C1)CC(O)C(=O)O Z1198174222 [0,1,0,0,0,1|2,0,0]=4 588 B14R1.3 COC1=CC=C(C=C1)CN(C)C(=N)N Z1675167232 [0,1,0,0,0,1|2,0,0]=4 589 B14R1.3 COC1=CC=C(C=C1)CN(C)C(=O)C Z30050798 [0,1,0,0,0,1|0,0,0]=2 590 B14R1.3 COC1=CC=C(C=C1)NC(=O)C(=O)O Z90122504 [0,1,0,0,0,1|1,0,0]=3 591 B14R1.3 COC1=CC=C(C=C1)NC(=O)C(C)C Z28138916 [0,1,0,0,0,1|1,0,1]=4 592 B14R1.3 COC1=CC=C(C=C1)NC(=O)C(C)Cl Z147652086 [0,1,0,0,0,1|1,0,1]=4 593 B14R1.3 COC1=CC=C(C=C1)NC(=O)N(C)C Z104756616 [0,1,0,0,0,1|2,0,0]=4 594 B14R1.3 COC1=CC=C(C=C1)NC(=S)N(C)N Z56844991 [0,1,0,0,0,1|2,0,0]=4 595 B14R1.3 COC1=CC=C(C=C1)OC(C)C(=O)O Z57825367 [0,1,0,0,0,1|2,0,0]=4 596 B14R1.3 COC1=CC=C(C=C1)SC(C)C(=O)N Z51311772 [0,1,0,0,0,1|2,0,0]=4 597 B14R1.3 COC1=CC=C(C=C1)SC(C)C(=O)O Z149354266 [0,1,0,0,0,1|2,0,0]=4 598 B14R1.5 C=CC(=O)NCC1=CC=C(C=C1)OC Z440633936 [0,1,0,0,0,1|0,0,1]=3 599 B14R1.5 CCC1=CC=C(C=C1)CCC(=O)NC Z62678674 [0,1,0,0,0,1|2,0,0]=4 600 B14R1.5 CCC1=CC=C(C=C1)CCC(=O)OC Z66570476 [0,1,0,0,0,1|2,0,0]=4 601 B14R1.5 CNC(=O)CSC1=CC=C(C=C1)OC Z51311503 [0,1,0,0,0,1|1,0,0]=3 602 B14R1.5 CNC1=CC=C(C=C1)CCC(=O)OC Z1262580135 [0,1,0,0,0,1|2,0,0]=4 603 B14R1.5 CNC1=CC=C(C=C1)OCC(=O)OC Z1650039499 [0,1,0,0,0,1|2,0,0]=4 604 B14R1.5 COC1=CC=C(C=C1)CC/C(=N/O)/C Z49568020 [0,1,0,0,0,1|1,0,1]=4 605 B14R1.5 COC1=CC=C(C=C1)CCC(=O)NO Z59183016 [0,1,0,0,0,1|2,0,0]=4 606 B14R1.5 COC1=CC=C(C=C1)CNC(=O)CCl Z56896262 [0,1,0,0,0,1|0,0,0]=2 607 B14R1.5 COC1=CC=C(C=C1)CNC(=O)CN Z1259341036 [0,1,0,0,0,1|0,0,0]=2 608 B14R1.5 COC1=CC=C(C=C1)CNC(=S)NN Z56886497 [0,1,0,0,0,1|1,1,0]=4 609 B14R1.5 COC1=CC=C(C=C1)NCC(=O)NN Z56862354 [0,1,0,0,0,1|1,0,0]=3 610 B14R1.5 COC1=CC=C(C=C1)OCC(=O)NN Z56869436 [0,1,0,0,0,1|2,0,0]=4 611 B14R1.5 N#CC1=CC=C(C=C1)CNC(=O)CCl Z381548296 [0,1,0,0,0,1|2,0,0]=4 612 B14R1.103 COC1=CC(=C(C=C1)/C=C/C(=O)O)C Z3033961334 [0,1,0,0,0,1|2,0,0]=4 613 B14R1.103 COC1=CC(=C(C=C1)CCC(=O)C)C Z1259123434 [0,1,0,0,0,1|1,0,0]=3 614 B14R1.103 COC1=CC(=C(C=C1)CCC(=O)O)Br Z1269115366 [0,1,0,0,0,1|2,0,0]=4 615 B14R1.142 CCOC1=CC=C(C=C1)/C=C/C(=O)N Z33546127 [0,1,0,0,0,1|2,0,0]=4 616 B14R1.142 CCOC1=CC=C(C=C1)/C=C/C(=O)O Z2315575657 [0,1,0,0,0,1|2,0,0]=4 617 B14R1.142 CCOC1=CC=C(C=C1)CCC(=O)N Z809768664 [0,1,0,0,0,1|2,0,0]=4 618 B14R1.142 CCOC1=CC=C(C=C1)CCC(=O)O Z317037950 [0,1,0,0,0,1|2,0,0]=4 619 B14R1.142 CCOC1=CC=C(C=C1)CNC(C)C Z1076467054 [0,1,0,0,0,1|1,0,1]=4 620 B14R1.142 CCOC1=CC=C(C=C1)OCC(=O)O Z56896865 [0,1,0,0,0,1|2,0,0]=4 621 B14R1.142 CCOC1=CC=C(C=C1)SCC(=O)O Z57983012 [0,1,0,0,0,1|2,0,0]=4 622 B14R1.211 COC1=CC=C(C=C1)CCS(=O)(=O)C Z416917746 [0,1,0,0,0,1|2,0,0]=4 623 B14R1.211 COC1=CC=C(C=C1)CNS(=O)(=O)C Z53825506 [0,1,0,0,0,1|1,0,0]=3 624 B14R1.419 CC(=O)/C=C/C1=CC=C(C=C1)N(C)C Z234853610 [0,1,0,0,0,1|2,0,0]=4 625 B14R1.419 CC(=O)NCC1=CC=C(C=C1)C(=O)O Z71394357 [0,1,0,0,0,1|2,0,0]=4 626 B14R1.419 CC(=O)NCC1=CN=C(C=C1)N(C)C Z367103228 [0,1,0,0,0,1|2,0,0]=4 627 B14R1.3653 COC1=C(C=C(C=C1)/C=C/C(=O)N)F Z101185926 [0,1,0,0,0,1|2,0,0]=4 628 B14R1.3653 COC1=C(C=C(C=C1)/C=C/C(=O)O)Cl Z2311776784 [0,1,0,0,0,1|2,0,0]=4 629 B14R1.3653 COC1=C(C=C(C=C1)/C=C/C(=O)O)F Z2312274789 [0,1,0,0,0,1|2,0,0]=4 630 B14R1.3653 COC1=C(C=C(C=C1)/C=C/C(=O)O)O Z2693271860 [0,1,0,0,0,1|2,0,0]=4 631 B14R1.3653 COC1=C(C=C(C=C1)CCC(=O)C)O Z1268633028 [0,1,0,0,0,1|1,0,0]=3 632 B14R1.3653 COC1=C(C=C(C=C1)CCC(=O)O)Br Z303635158 [0,1,0,0,0,1|2,0,0]=4 633 B14R1.3653 COC1=C(C=C(C=C1)CCC(=O)O)Cl Z235345357 [0,1,0,0,0,1|2,0,0]=4 634 B14R1.3653 COC1=C(C=C(C=C1)CCC(=O)O)N Z1251354132 [0,1,0,0,0,1|2,0,0]=4 635 B14R1.3653 COC1=C(C=C(C=C1)CCC(=O)O)O Z317038026 [0,1,0,0,0,1|2,0,0]=4 636 B14R1.3653 COC1=C(C=C(C=C1)OCC(=O)O)C Z1430609738 [0,1,0,0,0,1|2,0,0]=4 637 B14R1.3653 COC1=C(N=C(N=C1)CNC(=O)C)O Z2963943906 [0,1,0,0,0,1|2,0,0]=4 638 B14R1.23 CCOC1=CC=C(C=C1)NS(=O)(=O)N Z1612305683 [0,2,0,0,0,0|2,0,0]=4 639 B14R1.23 CNCC1=CC=C(C=C1)NS(=O)(=O)C Z5163458872 [0,2,0,0,0,0|2,0,0]=4 640 B14R1.23 CS(=O)(=O)NC1=CC=C(C=C1)CCN Z5138689575 [0,2,0,0,0,0|2,0,0]=4 641 B14R1.215 CNS(=O)(=O)CC1=CC=C(C=C1)OC Z1681349619 [0,2,0,0,0,0|2,0,0]=4 642 B14R1.414 CC(=O)C1=CC=C(C=C1)NS(=O)(=O)C Z45615415 [0,2,0,0,0,0|2,0,0]=4 643 B14R1.414 CC(N)C1=CC=C(C=C1)NS(=O)(=O)C Z278080002 [0,2,0,0,0,0|2,0,0]=4 644 B14R1.2311 COC1=CC(=C(C=C1)NS(=O)(=O)C)N Z239122804 [0,2,0,0,0,0|1,0,0]=3 645 B14R1.3275 COC1=C(C=C(C=C1)CS(=O)(=O)C)N Z2065464293 [0,2,0,0,0,0|2,0,0]=4 646 B14R1.3275 COC1=C(C=C(C=C1)NS(=O)(=O)C)Cl Z45704455 [0,2,0,0,0,0|1,0,0]=3 647 B14R1.7 C=CC(=O)N(C)C1=CC=C(C=C1)OC Z905093766 [0,2,0,0,0,0|0,0,1]=3 648 B14R1.7 CCC1=CC=C(C=C1)C(N)C(=O)OC Z5864802102 [0,2,0,0,0,0|2,0,0]=4 649 B14R1.7 COC(=O)C(C)C1=CC=C(C=C1)OC Z982130326 [0,2,0,0,0,0|1,0,0]=3 650 B14R1.7 COC(=O)C(N)C1=CC=C(C=C1)OC Z2235409236 [0,2,0,0,0,0|1,0,0]=3 651 B14R1.7 COC1=CC=C(C=C1)N(C)C(=O)CCl Z905093740 [0,2,0,0,0,0|0,0,0]=2 652 B14R1.24 CCC(=O)NC1=CC=C(C=C1)CC#N Z90993578 [0,2,0,0,0,0|1,0,1]=4 653 B14R1.24 CCCC1=CC=C(C=C1)NC(=O)CCl Z199423620 [0,2,0,0,0,0|1,0,0]=3 654 B14R1.24 CCOC1=CC=C(C=C1)CC(=O)NC Z32016780 [0,2,0,0,0,0|1,0,0]=3 655 B14R1.24 CCOC1=CC=C(C=C1)NC(=O)CCl Z56821912 [0,2,0,0,0,0|0,0,0]=2 656 B14R1.24 CCOC1=CC=C(C=C1)NC(=O)CN Z1259341029 [0,2,0,0,0,0|0,0,0]=2 657 B14R1.24 CCOC1=CC=C(C=C1)NC(=O)CO Z228585500 [0,2,0,0,0,0|0,0,0]=2 658 B14R1.24 CCOC1=CC=C(C=C1)NC(=S)NN Z56862325 [0,2,0,0,0,0|1,1,0]=4 659 B14R1.24 COC(=O)NC1=CC=C(C=C1)CCN Z1250089995 [0,2,0,0,0,0|1,0,0]=3 660 B14R1.24 N#CCC1=CC=C(C=C1)NC(=O)CCl Z89283962 [0,2,0,0,0,0|1,0,1]=4 661 B14R1.954 CCC1=CC=C(C=C1)NC(=O)/C=N/O Z56755329 [0,2,0,0,0,0|1,0,1]=4 662 B14R1.954 CCC1=CC=C(C=C1)NC(=O)CC#N Z56822404 [0,2,0,0,0,0|1,0,0]=3 663 B14R1.954 CCC1=CC=C(C=C1)NC(=O)COC Z32412258 [0,2,0,0,0,0|1,0,0]=3 664 B14R1.954 CCCC(=O)NC1=CC=C(C=C1)CN Z285189314 [0,2,0,0,0,0|2,0,0]=4 665 B14R1.954 CCCC(=O)NC1=CN=C(C=C1)OC Z26413953 [0,2,0,0,0,0|1,0,0]=3 666 B14R1.954 CCNC(=S)NC1=CN=C(C=C1)OC Z45832077 [0,2,0,0,0,0|1,1,0]=4 667 B14R1.954 CNCC(=O)NC1=CC=C(C=C1)OC Z46191142 [0,2,0,0,0,0|0,0,0]=2 668 B14R1.954 COC1=CC=C(C=C1)C/C(=C/C#N)/C Z1117894855 [0,2,0,0,0,0|2,0,0]=4 669 B14R1.954 COC1=CC=C(C=C1)NC(=O)/C=N/O Z56175822 [0,2,0,0,0,0|0,0,1]=3 670 B14R1.954 COC1=CC=C(C=C1)NC(=O)CC#N Z56860289 [0,2,0,0,0,0|0,0,0]=2 671 B14R1.954 COC1=CC=C(C=C1)NC(=O)CCCl Z240089952 [0,2,0,0,0,0|0,0,0]=2 672 B14R1.954 COCC(=O)NC1=CC=C(C=C1)C#N Z140637338 [0,2,0,0,0,0|2,0,0]=4 673 B14R1.954 COCC(=O)NC1=CN=C(C=C1)OC Z32448402 [0,2,0,0,0,0|1,0,0]=3 674 B14R1.954 CONC(=O)CC1=CC=C(C=C1)OC Z245507048 [0,2,0,0,0,0|1,0,0]=3 675 B14R1.954 N#CC1=CC=C(C=C1)NC(=O)CCCl Z240090120 [0,2,0,0,0,0|2,0,0]=4 676 B14R1.2879 C=CC(=O)NC1=CC=C(C=C1)N(C)C Z440636810 [0,2,0,0,0,0|1,0,1]=4 677 B14R1.2879 C=CC(=O)NC1=CC=C(C=C1)[C@@H](C)O Z4335393217 [0,2,0,0,0,0|1,0,1]=4 678 B14R1.2879 C=CC(=O)NC1=CC=C(C=C1)[C@H](C)O Z3766088793 [0,2,0,0,0,0|1,0,1]=4 679 B14R1.2879 CC(=O)C1=CC=C(C=C1)NC(=O)CCl Z56899092 [0,2,0,0,0,0|1,0,0]=3 680 B14R1.2879 CC(C)C1=CC=C(C=C1)CC(=O)CCl Z3579510120 [0,2,0,0,0,0|2,0,0]=4 681 B14R1.2879 CC(C)C1=CC=C(C=C1)NC(=O)CCl Z56896166 [0,2,0,0,0,0|1,0,0]=3 682 B14R1.2879 CCC(=O)NC1=CC=C(C=C1)C(=O)C Z27699565 [0,2,0,0,0,0|1,0,0]=3 683 B14R1.2879 CCC(=O)NC1=CC=C(C=C1)C(=O)N Z30242049 [0,2,0,0,0,0|2,0,0]=4 684 B14R1.2879 CCC(=O)NC1=CC=C(C=C1)C(=O)O Z85880334 [0,2,0,0,0,0|2,0,0]=4 685 B14R1.2879 CCC(=O)NC1=CC=C(C=C1)C(C)N Z278079360 [0,2,0,0,0,0|1,0,0]=3 686 B14R1.2879 CN(C)C1=CC=C(C=C1)NC(=O)CCl Z1562121940 [0,2,0,0,0,0|1,0,0]=3 687 B14R1.2879 CNC(=O)NC1=CC=C(C=C1)C(=O)O Z763651592 [0,2,0,0,0,0|2,0,0]=4 688 B14R1.2879 CNC(=O)NC1=CC=C(C=C1)[N+](=O)[O-] Z55293760 [0,2,0,0,0,0|2,0,0]=4 689 B14R1.2879 CNC(=S)NC1=CC=C(C=C1)C(=O)C Z45791676 [0,2,0,0,0,0|1,1,0]=4 690 B14R1.2879 COC(=O)CC1=CC=C(C=C1)C(=O)C Z847500522 [0,2,0,0,0,0|2,0,0]=4 691 B14R1.2879 COC(=O)NC1=CC=C(C=C1)C(=O)O Z192948760 [0,2,0,0,0,0|2,0,0]=4 692 B14R1.2879 COC(=O)OC1=CC=C(C=C1)C(=O)C Z56757229 [0,2,0,0,0,0|2,0,0]=4 693 B14R1.2879 NC(=O)C1=CC=C(C=C1)NC(=O)CCl Z56862632 [0,2,0,0,0,0|2,0,0]=4 694 B14R1.2879 NC(=O)C1=CC=C(C=C1)NC(=O)CO Z104341688 [0,2,0,0,0,0|2,0,0]=4 695 B14R1.2879 NCC(=O)NC1=CC=C(C=C1)C(=O)N Z3601690766 [0,2,0,0,0,0|2,0,0]=4 696 B14R1.2879 O=C(CCl)NC1=CC=C(C=C1)C(=O)O Z56889406 [0,2,0,0,0,0|2,0,0]=4 697 B14R1.2879 O=C(CCl)NC1=CC=C(C=C1)[N+](=O)[O-] Z56813262 [0,2,0,0,0,0|2,0,0]=4 698 B14R1.3276 C#CC(=O)NC1=CC(=C(C=C1)OC)N Z439314608 [0,2,0,0,0,0|0,0,1]=3 699 B14R1.3276 C=CC(=O)NC1=CC(=C(C=C1)OC)F Z440634776 [0,2,0,0,0,0|0,0,1]=3 700 B14R1.3276 C=CC(=O)NC1=CC(=C(C=C1)OC)N Z439316402 [0,2,0,0,0,0|0,0,1]=3 701 B14R1.3276 CCC(=O)NC1=CC(=C(C=C1)OC)Cl Z26743827 [0,2,0,0,0,0|0,0,0]=2 702 B14R1.3276 CNC(=O)CC1=CC(=C(C=C1)OC)F Z100643770 [0,2,0,0,0,0|1,0,0]=3 703 B14R1.3276 CNC(=O)NC1=CC(=C(C=C1)SC)Cl Z1328049689 [0,2,0,0,0,0|0,1,0]=3 704 B14R1.3276 COC1=C(C=C(C=C1)CC(C)C=O)F Z1238838025 [0,2,0,0,0,0|1,0,1]=4 705 B14R1.3276 COC1=C(C=C(C=C1)NC(=O)CCl)Cl Z56896204 [0,2,0,0,0,0|0,0,0]=2 706 B14R1.3276 N#CC1=C(C=C(C=C1)NC(=O)CCl)Cl Z56932995 [0,2,0,0,0,0|2,0,0]=4 707 B14R1.3714 CCC(=O)NC1=C(C=C(C=C1)OC)N Z239120170 [0,2,0,0,0,0|0,0,0]=2 708 B14R1.140 CCOC1=C(C=C(C=C1)NC(=O)C)Br Z56827184 [0,2,0,0,0,0|0,0,0]=2 709 B14R1.2284 COC1=C(C=C(C(=C1)C)CC(=O)O)F Z3243603313 [0,2,0,0,0,0|2,0,0]=4 710 B14R1.2284 COC1=C(C=C(C(=C1)C)NC(=O)N)F Z1732817296 [0,2,0,0,0,0|1,0,0]=3 711 B14R1.2284 COC1=C(C=C(C(=C1)Cl)CC(=O)O)F Z3325825930 [0,2,0,0,0,0|2,0,0]=4 712 B14R1.3651 COC1=C(C=C(C=C1)CC(=O)N)OC Z33546771 [0,2,0,0,0,0|2,0,0]=4 713 B14R1.3651 COC1=C(C=C(C=C1)CC(=O)O)OC Z56924495 [0,2,0,0,0,0|2,0,0]=4 714 B14R1.3651 COC1=C(C=C(C=C1)NC(=N)N)OC Z3785974910 [0,2,0,0,0,0|2,0,0]=4 715 B14R1.3651 COC1=C(C=C(C=C1)NC(=O)C)OC Z30849291 [0,2,0,0,0,0|0,0,0]=2 716 B14R1.3651 COC1=C(C=C(C=C1)NC(=S)C)OC Z56757210 [0,2,0,0,0,0|0,1,0]=3 717 B14R1.3651 COC1=C(C=C(C=C1)NC(=S)N)OC Z235362229 [0,2,0,0,0,0|1,1,0]=4 718 B14R1.3651 COC1=C(C=C(C=C1)NC(C)C)OC Z266654414 [0,2,0,0,0,0|1,0,1]=4 719 B14R1.3652 COC1=C(C=C(C=C1)C(=O)C(=O)O)Cl Z381360832 [0,2,0,0,0,0|2,0,0]=4 720 B14R1.3652 COC1=C(C=C(C=C1)C(C)C(=O)O)F Z792377220 [0,2,0,0,0,0|2,0,0]=4 721 B14R1.3652 COC1=C(C=C(C=C1)C(N)C(=O)O)F Z1198160556 [0,2,0,0,0,0|2,0,0]=4 722 B14R1.3652 COC1=C(C=C(C=C1)C(O)C(=O)O)Br Z788000944 [0,2,0,0,0,0|2,0,0]=4 723 B14R1.5801 CC(=O)C1=C(C=C(C=C1)NC(=O)N)Cl Z1646990236 [0,2,0,0,0,0|2,0,0]=4 724 B14R1.5801 CC(=O)NC1=CC(=C(C=C1)C(=O)O)Cl Z816002218 [0,2,0,0,0,0|2,0,0]=4 725 B14R1.5801 CC(=O)NC1=CC(=C(C=C1)C(=O)O)F Z1255375392 [0,2,0,0,0,0|2,0,0]=4 726 B14R1.5801 CC(=O)NC1=CC(=C(C=C1)S(=O)C)F Z1268348192 [0,2,0,0,0,0|0,1,0]=3 727 B14R1.12535 COC1=C(C=C(C=C1Br)CC(=O)O)Br Z1725937091 [0,2,0,0,0,0|2,0,0]=4 728 B14R1.12535 CSC1=C(C=C(C=C1F)NC(=O)N)F Z1657167964 [0,2,0,0,0,0|1,1,0]=4 729 B14R1.8 CCC(C(=O)O)C1=CC=C(C=C1)OC Z792377198 [0,2,0,0,0,0|2,0,0]=4 730 B14R1.213 COC1=CC=C(C=C1)C(C)(C)C(=O)O Z725146374 [0,2,0,0,0,0|2,0,0]=4 731 B14R1.213 COC1=CC=C(C=C1)C(C)(N)C(=O)O Z1259340008 [0,2,0,0,0,0|2,0,0]=4 732 B14R1.6402 CC(=O)N(C)C1=CC=C(C=C1)C(=O)O Z1262515023 [0,2,0,0,0,0|2,0,0]=4 733 B14R1.68 CC(=O)NC1=CC=C(C=C1)OCCO Z425795554 [0,2,0,0,0,0|0,0,0]=2 734 B14R1.68 CC(=O)OC1=CC=C(C=C1)/C=C/CO Z3815658554 [0,2,0,0,0,0|2,0,0]=4 735 B14R1.68 N#CCOC1=CC=C(C=C1)CC(=O)O Z227753980 [0,2,0,0,0,0|2,0,0]=4 736 B14R1.717 C/C(=N\O)/C1=CC=C(C=C1)NC(=O)N Z314905486 [0,2,0,0,0,0|2,0,0]=4 737 B14R1.717 C/C=C(\C)/C1=CC=C(C=C1)OC(=O)C Z2856149369 [0,2,0,0,0,0|2,0,0]=4 738 B14R1.717 CC(=O)NC1=CC=C(C=C1)/C(=N/O)/C Z223118078 [0,2,0,0,0,0|1,0,0]=3 739 B14R1.717 CC(=O)NC1=CC=C(C=C1)C(=O)CCl Z56914790 [0,2,0,0,0,0|1,0,0]=3 740 B14R1.717 CC(=O)NC1=CC=C(C=C1)C(=O)NN Z1526696244 [0,2,0,0,0,0|2,0,0]=4 741 B14R1.717 COC(=O)C1=CC=C(C=C1)CC(=O)O Z1262510931 [0,2,0,0,0,0|2,0,0]=4 742 B14R1.717 COC(=O)C1=CC=C(C=C1)NC(=N)N Z2868217255 [0,2,0,0,0,0|2,0,0]=4 743 B14R1.717 COC(=O)C1=CC=C(C=C1)NC(=O)N Z24133895 [0,2,0,0,0,0|1,0,0]=3 744 B14R1.717 NC(=O)NC1=CC=C(C=C1)C(=O)CCl Z1160901943 [0,2,0,0,0,0|2,0,0]=4 745 B14R1.805 CC(=O)NC1=CC=C(C=C1)CC(=O)N Z87615031 [0,2,0,0,0,0|1,0,1]=4 746 B14R1.805 CC(=O)NC1=CC=C(C=C1)CC(=O)O Z90122510 [0,2,0,0,0,0|1,0,1]=4 747 B14R1.805 CC(=O)NC1=CC=C(C=C1)OC(=O)C Z29109552 [0,2,0,0,0,0|0,0,0]=2 748 B14R1.805 CC(=O)NC1=CC=C(C=C1)SC(F)F Z27649534 [0,2,0,0,0,0|0,1,0]=3 749 B14R1.805 CC(=O)OC1=CC=C(C=C1)CC(=O)O Z1255442303 [0,2,0,0,0,0|2,0,0]=4 750 B14R1.805 CC(=O)OC1=CC=C(C=C1)OC(=O)C Z56871713 [0,2,0,0,0,0|1,0,0]=3 751 B14R1.805 CC(C)OC1=CC=C(C=C1)CC(=O)O Z227753968 [0,2,0,0,0,0|2,0,0]=4 752 B14R1.805 NC(=O)NC1=CN=C(C=C1)OC(F)F Z2018906883 [0,2,0,0,0,0|2,0,0]=4 753 B14R1.805 NC(=S)NC1=CC=C(C=C1)OC(F)F Z56828870 [0,2,0,0,0,0|1,1,0]=4 754 B14R1.805 O=C(O)CC1=CC=C(C=C1)OC(F)F Z90123309 [0,2,0,0,0,0|2,0,0]=4 755 B14R1.124 CC(=O)NC1=C(C=C(C=C1)C(=O)C)O Z132908950 [0,2,0,0,0,0|1,0,0]=3 756 B14R1.124 CC(=O)NC1=C(C=C(C=C1)C(=O)O)C Z224251106 [0,2,0,0,0,0|2,0,0]=4 757 B14R1.124 CC(=O)NC1=C(C=C(C=C1)C(=O)O)F Z1097094275 [0,2,0,0,0,0|2,0,0]=4 758 B14R1.806 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)Cl Z104476244 [0,2,0,0,0,0|1,1,0]=4 759 B14R1.806 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)F Z1269217061 [0,2,0,0,0,0|1,1,0]=4 760 B14R1.806 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N Z27682721 [0,2,0,0,0,0|1,1,0]=4 761 B14R1.806 CS(=O)(=O)C1=CC=C(C=C1)NC(=O)N Z316088058 [0,2,0,0,0,0|1,1,0]=4 762 B14R1.101 COC1=C(C=CC(=C1)SC)NC(=O)N Z1892986420 [0,2,0,0,0,0|1,1,0]=4 763 B14R1.101 COC1=CC(=C(C=C1)CC(=O)N)OC Z62734485 [0,2,0,0,0,0|2,0,0]=4 764 B14R1.101 COC1=CC(=C(C=C1)CC(=O)O)OC Z85921031 [0,2,0,0,0,0|2,0,0]=4 765 B14R1.560 COC1=CC(=C(C(=C1)C)CC(=O)O)C Z1255380823 [0,2,0,0,0,0|2,0,0]=4 766 B14R1.560 COC1=CC(=C(C(=C1)F)CC(=O)O)Cl Z3243615493 [0,2,0,0,0,0|2,0,0]=4 767 B12R1.440 COC1=C(C(=CC=C1)C(=O)C)O Z1255428654 [0,0,1,1,0,0|2,0,0]=4 768 B12R1.453 COC1=CC(=C(C=C1)O)C(=O)C Z104483744 [0,0,1,1,0,0|2,0,0]=4 769 B12R2.606 CC1=CC2=C(C=C1)NC(=N)C2 Z4603464626 [1,0,0,1,0,0|1,0,0]=3 770 B12R2.606 CC1=CC2=C(C=C1)NC(=N2)C Z57370047 [1,0,0,1,0,0|1,0,0]=3 771 B12R2.606 CC1=CC2=C(C=C1)NC(=N2)S Z57298378 [1,0,0,1,0,0|1,1,0]=4 772 B12R2.606 CC1=CC2=C(C=C1)OC(=O)N2 Z274568258 [1,0,0,1,0,0|2,0,0]=4 773 B12R2.606 CC1=CC2=C(N1)C=CC(=C2)F Z1203162476 [1,0,0,1,0,0|2,0,0]=4 774 B12R2.606 CC1=CC2=C(N1)C=CC(=C2)N Z361880768 [1,0,0,1,0,0|2,0,0]=4 775 B12R2.606 CC1=CC2=C(N1)C=CC(=C2)O Z1198147837 [1,0,0,1,0,0|1,0,0]=3 776 B12R2.606 CC1=NC2=C(N1)C=CC(=C2)Br Z382823070 [1,0,0,1,0,0|2,0,0]=4 777 B12R2.606 CC1=NC2=C(N1)C=CC(=C2)O Z1255462447 [1,0,0,1,0,0|1,0,0]=3 778 B12R2.606 CC1=NC2=C(O1)C=C(C=C2)O Z1201620245 [1,0,0,1,0,0|0,0,2]=4 779 B12R2.606 CC1=NC2=C(S1)C=CC(=C2)O Z1203159861 [1,0,0,1,0,0|2,0,0]=4 780 B12R2.606 NC1=CC2=C(C=C1)NC(=O)C2 Z2768165443 [1,0,0,1,0,0|1,0,0]=3 781 B12R2.606 NC1=CC2=C(C=C1)NC(=O)N2 Z56793257 [1,0,0,1,0,0|2,0,0]=4 782 B12R2.606 NC1=CC2=C(C=C1)NC(=O)S2 Z1270210776 [1,0,0,1,0,0|2,0,0]=4 783 B12R2.606 O=C1CC2=C(N1)C=CC(=C2)Br Z299596076 [1,0,0,1,0,0|1,0,0]=3 784 B12R2.606 O=C1CC2=C(N1)C=CC(=C2)Cl Z104477028 [1,0,0,1,0,0|1,0,0]=3 785 B12R2.606 O=C1CC2=C(N1)C=CC(=C2)F Z1255450667 [1,0,0,1,0,0|1,0,0]=3 786 B12R2.606 O=C1CC2=C(N1)C=CC(=C2)O Z1198147431 [1,0,0,1,0,0|0,0,0]=2 787 B12R2.606 O=C1NC2=C(N1)C=C(C=C2)F Z1198165756 [1,0,0,1,0,0|2,0,0]=4 788 B12R2.606 O=C1NC2=C(O1)C=C(C=C2)Br Z381351238 [1,0,0,1,0,0|2,0,0]=4 789 B12R2.606 O=C1NC2=C(O1)C=C(C=C2)Cl Z99599674 [1,0,0,1,0,0|2,0,0]=4 790 B12R2.606 O=C1NC2=C(O1)C=C(C=C2)I Z1269166325 [1,0,0,1,0,0|2,0,0]=4 791 B12R2.606 O=C1NC2=C(O1)C=CC(=C2)O Z1198314975 [1,0,0,1,0,0|2,0,0]=4 792 B12R2.606 O=C1OC2=C(O1)C=C(C=C2)O Z1198726972 [1,0,0,1,0,0|2,0,0]=4 793 B12R2.606 O=C1OC2=C(S1)C=C(C=C2)O Z56801267 [1,0,0,1,0,0|2,0,0]=4 794 B12R2.606 O=C1OC2=C(S1)C=CC(=C2)O Z104483034 [1,0,0,1,0,0|2,0,0]=4 795 B12R2.9 COC1=CC=C(C=C1)C2CO2 Z278165224 [1,0,0,1,0,0|2,0,0]=4 796 B12R2.44 CCC1=CC2=C(C=C1)NC=N2 Z1474026103 [1,0,0,1,0,0|2,0,0]=4 797 B12R2.44 CCC1=CC2=C(C=C1)NCC2 Z1270207865 [1,0,0,1,0,0|1,0,1]=4 798 B12R2.44 COC1=CC2=C(C=C1)NC=C2 Z104507276 [1,0,0,1,0,0|0,0,1]=3 799 B12R2.44 COC1=CC2=C(C=C1)NCC2 Z235539064 [1,0,0,1,0,0|0,0,1]=3 800 B12R2.44 COC1=CC2=C(C=C1)OC=N2 Z1198314976 [1,0,0,1,0,0|2,0,0]=4 801 B12R2.44 COC1=CC2=C(C=C1)SC=N2 Z1198169594 [1,0,0,1,0,0|2,0,0]=4 802 B12R2.1384 O=C(O)C1=CC2=C(C=C1)CC2 Z1205494871 [0,0,0,1,1,0|2,0,0]=4 803 B14R2.134 COC1=CC2=C(C=C1)CCC(=O)C2 Z1255485170 [0,0,0,1,0,1|1,0,0]=3 804 B14R2.134 COC1=CC2=C(C=C1)CCC(=O)N2 Z1255498178 [0,0,0,1,0,1|2,0,0]=4 805 B14R2.134 COC1=CC2=C(C=C1)OCC(=O)N2 Z1198176733 [0,0,0,1,0,1|2,0,0]=4 806 B14R2.134 COC1=CC2=C(C=CC(=O)O2)C=C1 Z53852417 [0,0,0,1,0,1|2,0,0]=4 807 B14R2.328 COC1=CC=C(C=C1)CNC2CC2 Z86138857 [0,0,0,1,0,1|1,0,1]=4 808 B14R2.2332 COC1=CC2=C(C=C1)NC(=O)CC2 Z1197664819 [0,1,0,1,0,0|0,0,0]=2 809 B14R2.2332 COC1=CC2=C(C=C1)NC(=O)CN2 Z1255425647 [0,1,0,1,0,0|0,0,0]=2 810 B14R2.2332 COC1=CC2=C(C=C1)NC(=O)CO2 Z1198168486 [0,1,0,1,0,0|0,0,0]=2 811 B14R2.2332 N#CC1=CC2=C(C=C1)NC(=O)CC2 Z1255443927 [0,1,0,1,0,0|2,0,0]=4 812 B14R2.2332 N#CC1=CC2=C(C=C1)NC(=O)CN2 Z2255081886 [0,1,0,1,0,0|2,0,0]=4 813 B14R2.2332 O=CC1=CC2=C(C=C1)NC(=O)CO2 Z1255380142 [0,1,0,1,0,0|2,0,0]=4 814 B14R2.3274 CCC1=CC2=C(C=C1)NC(=O)C2=O Z57823209 [0,1,0,1,0,0|1,0,1]=4 815 B14R2.3274 COC1=CC2=C(C=C1)NC(=C2C)C Z1222423507 [0,1,0,1,0,0|1,0,0]=3 816 B14R2.3274 COC1=CC2=C(C=C1)NC(=O)C2=O Z56899037 [0,1,0,1,0,0|0,0,1]=3 817 B14R2.3274 COC1=CC2=C(C=C1)NC(=O)C2N Z3244908644 [0,1,0,1,0,0|0,0,0]=2 818 B14R2.3304 COC1=CC2=C(C=C1)C=C(N2)C=O Z1198157017 [0,1,0,1,0,0|2,0,0]=4 819 B14R2.3304 COC1=CC2=C(C=C1)C=C(O2)C=O Z1255424065 [0,1,0,1,0,0|2,0,0]=4 820 B14R2.3304 COC1=CC2=C(C=C1)N=C(O2)C=O Z1198182541 [0,1,0,1,0,0|1,0,1]=4 821 B14R2.3304 COC1=CC2=C(C=C1)N=C(S2)C=O Z1255373724 [0,1,0,1,0,0|1,0,1]=4 822 B14R2.3304 COC1=CC2=C(C=C1)NC(=C2)C=O Z1198153197 [0,1,0,1,0,0|0,0,1]=3 823 B14R2.3304 COC1=CC2=C(C=C1)OC(=C2)C=O Z1197664683 [0,1,0,1,0,0|1,0,1]=4 824 B14R2.3304 COC1=CC2=C(C=C1)SC(=C2)C=O Z1198311276 [0,1,0,1,0,0|1,0,1]=4 825 B14R2.3304 COC1=CC2=C(C=C1)SC(=N2)C=O Z1255448839 [0,1,0,1,0,0|2,0,0]=4 826 B14R2.1008 CC(=O)NC1=CC2=C(C=C1)NN=C2 Z89282738 [0,1,0,1,0,0|1,0,1]=4 827 B14R2.1008 CC(=O)NC1=CC2=C(C=C1)OCO2 Z27647423 [0,1,0,1,0,0|0,0,0]=2 828 B14R2.1008 CC(=O)NC1=CC2=NNC=C2C=C1 Z383202616 [0,1,0,1,0,0|2,0,0]=4 829 B14R2.1008 CC(=S)NC1=CC2=C(C=C1)OCO2 Z56764111 [0,1,0,1,0,0|0,1,0]=3 830 B14R2.1008 NC(=O)NC1=CC2=C(C=C1)OCO2 Z107732962 [0,1,0,1,0,0|1,0,0]=3 831 B14R2.1008 NC(=S)NC1=CC2=C(C=C1)OCO2 Z291278954 [0,1,0,1,0,0|1,1,0]=4 832 B14R2.1008 O=C(O)CC1=CC2=C(C=C1)COC2 Z1262549592 [0,1,0,1,0,0|2,0,0]=4 833 B14R2.1008 O=C(O)CC1=CC2=C(C=C1)OCC2 Z220565334 [0,1,0,1,0,0|2,0,0]=4 834 B14R2.1008 O=C(O)CC1=CC2=C(C=C1)OCO2 Z274782846 [0,1,0,1,0,0|2,0,0]=4 835 B14R2.1197 COC1=C(C=C2SC(=NC2=C1)C)N Z424968040 [0,1,0,1,0,0|2,0,0]=4 836 B14R2.1815 CN1C(=O)CC2=C1C=CC(=C2)C=O Z385369958 [0,1,0,1,0,0|2,0,0]=4 837 B14R2.1815 COC1=CC2=C(C=C1)C(=O)C(=O)N2 Z362600670 [0,1,0,1,0,0|2,0,0]=4 838 B14R2.1815 COC1=CC2=C(C=C1)C(C(=O)N2)N Z3244908643 [0,1,0,1,0,0|2,0,0]=4 839 B14R2.1815 COC1=CC2=C(C=C1)C(C(=O)N2)O Z808167656 [0,1,0,1,0,0|2,0,0]=4 840 B14R2.1815 COC1=CC2=C(C=C1)N(C(=N2)N)C Z3227041329 [0,1,0,1,0,0|2,0,0]=4 841 B14R2.1815 COC1=CC2=C(C=C1)N(C(=O)C2)C Z168882264 [0,1,0,1,0,0|0,0,0]=2 842 B14R2.6400 CCNC1=CC2=C(C=C1)NC(=O)N2 Z335483564 [0,1,0,1,0,0|2,0,0]=4 843 B14R2.6400 CCOC1=CC2=C(C=C1)NC(=N2)S Z56933699 [0,1,0,1,0,0|1,1,0]=4 844 B14R2.601 CC(=O)C1=CC2=C(C=C1)NC(=O)C2 Z285150676 [0,1,0,1,0,0|1,0,0]=3 845 B14R2.601 CC(=O)C1=CC2=C(C=C1)NC(=O)N2 Z211314842 [0,1,0,1,0,0|2,0,0]=4 846 B14R2.601 CC(=O)C1=CC2=C(C=C1)NC(=O)O2 Z381350958 [0,1,0,1,0,0|2,0,0]=4 847 B14R2.601 CC(N)C1=CC2=C(C=C1)NC(=O)N2 Z325157248 [0,1,0,1,0,0|2,0,0]=4 848 B14R2.601 CC(N)C1=CC2=C(C=C1)NC(=O)O2 Z2739025457 [0,1,0,1,0,0|2,0,0]=4 849 B14R2.601 CC(O)C1=CC2=C(C=C1)NC(=O)C2 Z756132996 [0,1,0,1,0,0|1,0,0]=3 850 B14R2.601 O=C1CC2=C(N1)C=CC(=C2)C(=O)O Z285150648 [0,1,0,1,0,0|2,0,0]=4 851 B14R2.601 O=C1CC2=C(N1)C=CC(=C2)[N+](=O)[O-] Z320949678 [0,1,0,1,0,0|2,0,0]=4 852 B10R1.13 CC(=O)C1=CC=C(C=C1)Br Z57127459 [1,0,0,0,1,0|1,0,0]=3 853 B10R1.13 CC(=O)C1=CC=C(C=C1)C Z57127458 [1,0,0,0,1,0|0,0,0]=2 854 B10R1.13 CC(=O)C1=CC=C(C=C1)Cl Z57127462 [1,0,0,0,1,0|1,0,0]=3 855 B10R1.13 CC(=O)C1=CC=C(C=C1)F Z57127466 [1,0,0,0,1,0|1,0,0]=3 856 B10R1.13 CC(=O)C1=CC=C(C=C1)I Z57073725 [1,0,0,0,1,0|1,0,0]=3 857 B10R1.13 CC(=O)C1=CC=C(C=C1)N Z57127377 [1,0,0,0,1,0|1,0,0]=3 858 B10R1.13 CC(=O)C1=CC=C(C=C1)O Z57040434 [1,0,0,0,1,0|0,0,0]=2 859 B10R1.13 CC(=O)C1=CN=C(C=C1)Br Z1269224642 [1,0,0,0,1,0|2,0,0]=4 860 B10R1.13 CC(=O)C1=CN=C(C=C1)Cl Z1201622182 [1,0,0,0,1,0|2,0,0]=4 861 B10R1.13 CC(=O)C1=CN=C(C=C1)F Z1198173101 [1,0,0,0,1,0|2,0,0]=4 862 B10R1.13 CC(=O)C1=NC=C(C=C1)Br Z1945984212 [1,0,0,0,1,0|2,0,0]=4 863 B10R1.13 CC(=O)C1=NC=C(C=C1)Cl Z1198173098 [1,0,0,0,1,0|2,0,0]=4 864 B10R1.13 CC(=O)C1=NC=C(C=C1)F Z1575143877 [1,0,0,0,1,0|2,0,0]=4 865 B10R1.13 CC(C)C1=CC=C(C=C1)O Z56347200 [1,0,0,0,1,0|1,0,1]=4 866 B10R1.13 CC(N)C1=CC=C(C=C1)O Z1741968989 [1,0,0,0,1,0|1,0,1]=4 867 B10R1.13 CC1=CC=C(C=C1)C(=N)N Z1405445841 [1,0,0,0,1,0|2,0,0]=4 868 B10R1.13 CC1=CC=C(C=C1)C(=O)O Z57902424 [1,0,0,0,1,0|1,0,0]=3 869 B10R1.13 CC1=CC=C(C=C1)C(=S)N Z56939152 [1,0,0,0,1,0|1,1,0]=4 870 B10R1.13 CC1=CC=C(C=C1)C(C)C Z104497772 [1,0,0,0,1,0|1,0,1]=4 871 B10R1.13 CC1=CC=C(C=C1)[C@@H](C)O Z1127664396 [1,0,0,0,1,0|0,0,2]=4 872 B10R1.13 CC1=CC=C(C=C1)[C@H](C)O Z1127664278 [1,0,0,0,1,0|0,0,2]=4 873 B10R1.13 CC1=CC=C(C=C1)[N+](=O)[O-] Z104476692 [1,0,0,0,1,0|2,0,0]=4 874 B10R1.13 CC1=CC=C(C=C1)[S-](=O)=O Z104501328 [1,0,0,0,1,0|2,0,0]=4 875 B10R1.13 CC1=CN=C(C=C1)C(=O)O Z1511494596 [1,0,0,0,1,0|2,0,0]=4 876 B10R1.13 CC1=NC=C(C=C1)C(=O)N Z57493539 [1,0,0,0,1,0|2,0,0]=4 877 B10R1.13 CC1=NC=C(C=C1)C(=O)O Z235485476 [1,0,0,0,1,0|2,0,0]=4 878 B10R1.13 CN(C)C1=CC=C(C=C1)O Z137981254 [1,0,0,0,1,0|2,0,0]=4 879 B10R1.13 CS(=O)C1=CC=C(C=C1)N Z609944508 [1,0,0,0,1,0|2,0,0]=4 880 B10R1.13 C[C@H](N)C1=CC=C(C=C1)O Z3183546879 [1,0,0,0,1,0|1,0,1]=4 881 B10R1.13 N=C(N)C1=CC=C(C=C1)O Z1262398570 [1,0,0,0,1,0|2,0,0]=4 882 B10R1.13 NC(=O)C1=CC=C(C=C1)Br Z33546526 [1,0,0,0,1,0|2,0,0]=4 883 B10R1.13 NC(=O)C1=CC=C(C=C1)F Z33546459 [1,0,0,0,1,0|2,0,0]=4 884 B10R1.13 NC(=O)C1=CC=C(C=C1)I Z33546486 [1,0,0,0,1,0|2,0,0]=4 885 B10R1.13 NC(=O)C1=CC=C(C=C1)N Z104474782 [1,0,0,0,1,0|2,0,0]=4 886 B10R1.13 NC(=O)C1=CC=C(C=C1)O Z104502228 [1,0,0,0,1,0|1,0,0]=3 887 B10R1.13 NC(=S)C1=CC=C(C=C1)O Z90124534 [1,0,0,0,1,0|1,1,0]=4 888 B10R1.13 NC1=CC=C(C=C1)C(=O)O Z57127446 [1,0,0,0,1,0|2,0,0]=4 889 B10R1.13 O=C(O)C1=CC=C(C=C1)Br Z57127530 [1,0,0,0,1,0|2,0,0]=4 890 B10R1.13 O=C(O)C1=CC=C(C=C1)Cl Z104473324 [1,0,0,0,1,0|2,0,0]=4 891 B10R1.13 O=C(O)C1=CC=C(C=C1)F Z57367354 [1,0,0,0,1,0|2,0,0]=4 892 B10R1.13 O=C(O)C1=CC=C(C=C1)I Z57636572 [1,0,0,0,1,0|2,0,0]=4 893 B10R1.13 O=C(O)C1=CC=C(C=C1)O Z104498098 [1,0,0,0,1,0|1,0,0]=3 894 B10R1.13 O=C(O)C1=CC=C(C=C1)S Z223639246 [1,0,0,0,1,0|1,1,0]=4 895 B10R1.13 O=C(O)C1=CN=C(C=C1)O Z104500708 [1,0,0,0,1,0|2,0,0]=4 896 B10R1.13 O=[N+]([O-])C1=CC=C(C=C1)O Z57127483 [1,0,0,0,1,0|2,0,0]=4 897 B10R1.54 CC(=O)NC1=NC(=CS1)C Z30820114 [1,0,0,0,1,0|2,0,0]=4 898 B10R1.54 CC(=O)NC1=NNC(=C1)C Z237527902 [1,0,0,0,1,0|2,0,0]=4 899 B10R1.31 CCC1=CC=C(S1)C(=O)C Z89267050 [0,0,0,0,2,0|2,0,0]=4 900 B10R1.31 COC1=CC=C(S1)C(=O)O Z1198160366 [0,0,0,0,2,0|2,0,0]=4 901 B10R1.31 COC1=CSC(=C1)C(=O)O Z335442452 [0,0,0,0,2,0|2,0,0]=4 902 B10R1.31 COC1=NOC(=C1)C(=O)C Z1416183410 [0,0,0,0,2,0|2,0,0]=4 903 B12R1.21 CC(=O)/C=C/C1=CC=C(C=C1)F Z1201619760 [1,0,0,0,0,1|2,0,0]=4 904 B12R1.21 CC(=O)CCC1=CC=C(C=C1)C Z406376788 [1,0,0,0,0,1|1,0,0]=3 905 B12R1.21 CC(=O)CCC1=CC=C(C=C1)F Z406376784 [1,0,0,0,0,1|2,0,0]=4 906 B12R1.21 CC(=O)CCC1=CC=C(C=C1)I Z1263632422 [1,0,0,0,0,1|2,0,0]=4 907 B12R1.21 CC(=O)NCC1=CC=C(C=C1)Br Z816034502 [1,0,0,0,0,1|1,0,0]=3 908 B12R1.21 CC(=O)NCC1=CC=C(C=C1)N Z600391558 [1,0,0,0,0,1|1,0,0]=3 909 B12R1.21 CC(=O)NNC1=CC=C(C=C1)F Z30877183 [1,0,0,0,0,1|1,0,0]=3 910 B12R1.21 CC1=CC=C(C=C1)/C=C/C(=O)O Z2942851512 [1,0,0,0,0,1|2,0,0]=4 911 B12R1.21 CC1=CC=C(C=C1)CCC(=O)N Z194976512 [1,0,0,0,0,1|2,0,0]=4 912 B12R1.21 CC1=CC=C(C=C1)CCC(=O)O Z169855336 [1,0,0,0,0,1|2,0,0]=4 913 B12R1.21 CC1=CC=C(C=C1)CNC(=N)N Z911465430 [1,0,0,0,0,1|2,0,0]=4 914 B12R1.21 CC1=CC=C(C=C1)CNC(=O)N Z198194838 [1,0,0,0,0,1|1,0,0]=3 915 B12R1.21 CC1=CC=C(C=C1)CNC(=S)N Z56915894 [1,0,0,0,0,1|1,1,0]=4 916 B12R1.21 CC1=CC=C(C=C1)NCC(C)C Z334955606 [1,0,0,0,0,1|1,0,1]=4 917 B12R1.21 CC1=CC=C(C=C1)OCC(=O)N Z19732046 [1,0,0,0,0,1|2,0,0]=4 918 B12R1.21 CC1=CC=C(C=C1)OCC(=O)O Z56812739 [1,0,0,0,0,1|2,0,0]=4 919 B12R1.21 CC1=CC=C(C=C1)SCC(=O)N Z18770000 [1,0,0,0,0,1|2,0,0]=4 920 B12R1.21 CC1=CC=C(C=C1)SCC(=O)O Z55903478 [1,0,0,0,0,1|2,0,0]=4 921 B12R1.21 NC(=O)CNC1=CC=C(C=C1)Br Z104586672 [1,0,0,0,0,1|2,0,0]=4 922 B12R1.21 NC(=O)CNC1=CC=C(C=C1)Cl Z104647358 [1,0,0,0,0,1|2,0,0]=4 923 B12R1.21 NC(=O)CNC1=CC=C(C=C1)I Z104728120 [1,0,0,0,0,1|2,0,0]=4 924 B12R1.21 NC(=O)COC1=CC=C(C=C1)O Z381414726 [1,0,0,0,0,1|2,0,0]=4 925 B12R1.21 NC(=O)NCC1=CC=C(C=C1)F Z198194834 [1,0,0,0,0,1|2,0,0]=4 926 B12R1.21 NC(=O)NCC1=CC=C(C=C1)N Z600391988 [1,0,0,0,0,1|2,0,0]=4 927 B12R1.21 O=C(O)/C=C/C1=CC=C(C=C1)O Z56911963 [1,0,0,0,0,1|2,0,0]=4 928 B12R1.21 O=C(O)CCC1=CC=C(C=C1)O Z317038012 [1,0,0,0,0,1|2,0,0]=4 929 B12R1.21 O=C(O)CNC1=CC=C(C=C1)Br Z274534708 [1,0,0,0,0,1|2,0,0]=4 930 B12R1.21 O=C(O)CNC1=CC=C(C=C1)Cl Z274534702 [1,0,0,0,0,1|2,0,0]=4 931 B12R1.21 O=C(O)CNC1=CC=C(C=C1)O Z57127481 [1,0,0,0,0,1|1,0,0]=3 932 B12R1.21 O=C(O)COC1=CC=C(C=C1)O Z1192367471 [1,0,0,0,0,1|2,0,0]=4 933 B12R1.21 O=C(O)CSC1=CC=C(C=C1)O Z733878444 [1,0,0,0,0,1|2,0,0]=4 934 B12R1.438 CC(=O)NC1=CC(=CC=C1)C#N Z26548069 [0,0,0,0,1,1|2,0,0]=4 935 B12R1.438 CC(=O)NC1=CC(=CC=C1)C=O Z1238570824 [0,0,0,0,1,1|2,0,0]=4 936 B12R1.438 CC(=O)NC1=CC(=CC=C1)CN Z239097364 [0,0,0,0,1,1|2,0,0]=4 937 B12R1.438 CC(=O)NC1=CC(=CC=C1)CO Z28913035 [0,0,0,0,1,1|2,0,0]=4 938 B12R1.438 COC1=CC(=CC=C1)CC(=O)N Z33547068 [0,0,0,0,1,1|2,0,0]=4 939 B12R1.438 COC1=CC(=CC=C1)CC(=O)O Z104478986 [0,0,0,0,1,1|2,0,0]=4 940 B12R1.438 COC1=CC(=CC=C1)NC(=O)C Z27795266 [0,0,0,0,1,1|0,0,0]=2 941 B12R1.438 COC1=CC(=CC=C1)NC(=S)N Z56913186 [0,0,0,0,1,1|1,1,0]=4 942 B12R1.438 COC1=NC=CC(=C1)CC(=O)O Z2186882871 [0,0,0,0,1,1|2,0,0]=4 943 B14R1.4 C=C(C)CNCC1=CC=C(C=C1)SC Z1784439114 [0,0,0,0,0,2|1,1,0]=4 944 B14R1.4 COC1=CC=C(C=C1)/C=N/NC(=S)N Z49561621 [0,0,0,0,0,2|1,1,0]=4 945 B14R1.4 COC1=CC=C(C=C1)CCCC(=O)N Z952139986 [0,0,0,0,0,2|2,0,0]=4 946 B14R1.4 COC1=CC=C(C=C1)CCCC(=O)O Z57181981 [0,0,0,0,0,2|2,0,0]=4 947 B14R1.4 COC1=CC=C(C=C1)CCNC(=N)N Z1089995164 [0,0,0,0,0,2|2,0,0]=4 948 B14R1.4 COC1=CC=C(C=C1)CNCC(C)O Z5774179697 [0,0,0,0,0,2|0,0,2]=4 949 B14R1.4 COC1=CC=C(C=C1)NCCC(=O)N Z68591083 [0,0,0,0,0,2|1,0,0]=3 950 B14R1.4 COC1=CC=C(C=C1)NCCC(=O)O Z56921145 [0,0,0,0,0,2|1,0,0]=3 951 B14R1.4 COC1=CC=C(C=C1)OCCC(=O)O Z56869407 [0,0,0,0,0,2|2,0,0]=4 952 B14R1.4 COC1=CC=C(C=C1)SCCC(=O)O Z103338270 [0,0,0,0,0,2|2,0,0]=4