0 B10R1.17 BrCCOC1=CC=CC=C1 Z56950513 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.17 CCCCC1=CC=CC=C1 Z104492496 [0,0,0,0,0,0|1,0,2]=3 2 B10R1.17 CCCNC1=CN=CC=C1 Z334882412 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.17 CCNCC1=CC=CC=C1 Z57327176 [0,0,0,0,0,0|2,0,1]=3 4 B10R1.17 CCNCC1=CC=NC=C1 Z57327181 [0,0,0,0,0,0|3,0,1]=4 5 B10R1.17 CCNCC1=NC=CC=C1 Z90513146 [0,0,0,0,0,0|3,0,1]=4 6 B10R1.17 CCSCC1=NC=CC=C1 Z1607601848 [0,0,0,0,0,0|3,0,1]=4 7 B10R1.17 CNCCC1=CC=CC=C1 Z445226260 [0,0,0,0,0,0|2,0,2]=4 8 B10R1.17 COCCC1=CC=CC=C1 Z104494216 [0,0,0,0,0,0|2,0,2]=4 9 B10R1.17 N#CCCC1=CC=CC=C1 Z104507980 [0,0,0,0,0,0|1,0,3]=4 10 B10R1.17 N#CCNC1=CC=CC=C1 Z56347332 [0,0,0,0,0,0|2,0,2]=4 11 B10R1.17 N#CCOC1=CC=CC=C1 Z53792061 [0,0,0,0,0,0|2,0,2]=4 12 B10R1.17 N#CCSC1=CC=CC=C1 Z19751391 [0,0,0,0,0,0|2,0,2]=4 13 B10R1.17 NC/C=C/C1=CC=CC=C1 Z2953771905 [0,0,0,0,0,0|1,0,0]=1 14 B10R1.17 NC/C=C/C1=CN=CC=C1 Z2216303151 [0,0,0,0,0,0|2,0,0]=2 15 B10R1.17 NCC#CC1=CC=CC=C1 Z227964210 [0,0,0,0,0,0|1,0,2]=3 16 B10R1.17 NCC#CC1=NC=CC=C1 Z1456201642 [0,0,0,0,0,0|2,0,2]=4 17 B10R1.17 NCCCC1=CC=CC=C1 Z104478312 [0,0,0,0,0,0|1,0,2]=3 18 B10R1.17 NCCCC1=CN=CC=C1 Z3058301115 [0,0,0,0,0,0|2,0,2]=4 19 B10R1.17 NCCCC1=NC=CC=C1 Z600381818 [0,0,0,0,0,0|2,0,2]=4 20 B10R1.17 NCCNC1=CC=NC=C1 Z317257862 [0,0,0,0,0,0|3,0,1]=4 21 B10R1.17 NCCNC1=NC=CC=C1 Z85923460 [0,0,0,0,0,0|3,0,1]=4 22 B10R1.17 NCCOC1=CC=CC=C1 Z355423232 [0,0,0,0,0,0|2,0,1]=3 23 B10R1.17 NCCOC1=CC=NC=C1 Z3243651499 [0,0,0,0,0,0|3,0,1]=4 24 B10R1.17 NCCOC1=CN=CC=C1 Z429662874 [0,0,0,0,0,0|3,0,1]=4 25 B10R1.17 NCCSC1=CC=CC=C1 Z57970213 [0,0,0,0,0,0|2,0,1]=3 26 B10R1.17 NNCCC1=CC=CC=C1 Z927192062 [0,0,0,0,0,0|2,0,2]=4 27 B10R1.17 O=C/C=C/C1=CC=CC=C1 Z3219847383 [0,0,0,0,0,0|0,0,2]=2 28 B10R1.17 O=C/C=C/C1=CC=NC=C1 Z2417822722 [0,0,0,0,0,0|1,0,2]=3 29 B10R1.17 O=C/C=C/C1=NC=CC=C1 Z1255366309 [0,0,0,0,0,0|1,0,2]=3 30 B10R1.17 O=CC#CC1=CC=CC=C1 Z1255485337 [0,0,0,0,0,0|0,0,4]=4 31 B10R1.17 O=CCCC1=CC=CC=C1 Z87002472 [0,0,0,0,0,0|0,0,4]=4 32 B10R1.17 O=CCOC1=CC=CC=C1 Z854102570 [0,0,0,0,0,0|1,0,3]=4 33 B10R1.17 O=CNCC1=CC=CC=C1 Z1203730748 [0,0,0,0,0,0|1,0,3]=4 34 B10R1.17 O=CNNC1=CC=CC=C1 Z1198148433 [0,0,0,0,0,0|2,0,2]=4 35 B10R1.17 OC/C=C/C1=CC=CC=C1 Z104473562 [0,0,0,0,0,0|0,0,0]=0 36 B10R1.17 OCC#CC1=NC=CC=C1 Z1143356057 [0,0,0,0,0,0|1,0,2]=3 37 B10R1.17 OCC#CC1=NC=CC=N1 Z1216837995 [0,0,0,0,0,0|2,0,2]=4 38 B10R1.17 OCC#CC1=NC=CN=C1 Z1183457797 [0,0,0,0,0,0|2,0,2]=4 39 B10R1.17 OCCCC1=CC=CC=C1 Z104476660 [0,0,0,0,0,0|0,0,2]=2 40 B10R1.17 OCCCC1=CC=NC=C1 Z104475752 [0,0,0,0,0,0|1,0,2]=3 41 B10R1.17 OCCCC1=CN=CC=C1 Z104479004 [0,0,0,0,0,0|1,0,2]=3 42 B10R1.17 OCCCC1=NC=NC=C1 Z2044799287 [0,0,0,0,0,0|2,0,2]=4 43 B10R1.17 OCCNC1=CC=NC=C1 Z359301874 [0,0,0,0,0,0|2,0,1]=3 44 B10R1.17 OCCNC1=NC=CC=C1 Z31212159 [0,0,0,0,0,0|2,0,1]=3 45 B10R1.17 OCCNC1=NC=CC=N1 Z31212160 [0,0,0,0,0,0|3,0,1]=4 46 B10R1.17 OCCNC1=NC=CN=C1 Z31212301 [0,0,0,0,0,0|3,0,1]=4 47 B10R1.17 OCCNC1=NN=CC=C1 Z991531008 [0,0,0,0,0,0|3,0,1]=4 48 B10R1.17 OCCOC1=CC=CC=C1 Z104473570 [0,0,0,0,0,0|1,0,1]=2 49 B10R1.17 OCCOC1=CN=CC=C1 Z1180078238 [0,0,0,0,0,0|2,0,1]=3 50 B10R1.17 OCCSC1=CC=CC=C1 Z149157348 [0,0,0,0,0,0|1,0,1]=2 51 B10R1.17 S=C=NCC1=CC=CC=C1 Z56869309 [0,0,0,0,0,0|1,1,2]=4 52 B9R1.8 CCCC1=CC=CC=C1 Z104479154 [1,0,0,0,0,0|0,0,2]=3 53 B9R1.8 CCCC1=NC=CC=C1 Z1255434741 [1,0,0,0,0,0|1,0,2]=4 54 B9R1.8 CCNC1=CC=CC=C1 Z104472482 [1,0,0,0,0,0|1,0,1]=3 55 B9R1.8 CCNC1=CC=NC=C1 Z359297730 [1,0,0,0,0,0|2,0,1]=4 56 B9R1.8 CCNC1=CN=CC=C1 Z334882416 [1,0,0,0,0,0|2,0,1]=4 57 B9R1.8 CCSC1=CC=NC=C1 Z1376454759 [1,0,0,0,0,0|2,0,1]=4 58 B9R1.8 CNCC1=CC=NC=C1 Z57390007 [1,0,0,0,0,0|2,0,1]=4 59 B9R1.8 CNCC1=CN=CC=C1 Z56963341 [1,0,0,0,0,0|2,0,1]=4 60 B9R1.8 CSCC1=CN=CC=C1 Z599631354 [1,0,0,0,0,0|2,0,1]=4 61 B9R1.8 N#COC1=CC=CC=C1 Z1198165353 [1,0,0,0,0,0|2,0,1]=4 62 B9R1.8 NCCC1=CC=NC=C1 Z241056520 [1,0,0,0,0,0|2,0,1]=4 63 B9R1.8 NCCC1=CN=CC=C1 Z241056524 [1,0,0,0,0,0|2,0,1]=4 64 B9R1.8 NCCC1=NC=CC=C1 Z104478200 [1,0,0,0,0,0|2,0,1]=4 65 B9R1.8 NNCC1=CC=CC=C1 Z56969306 [1,0,0,0,0,0|2,0,1]=4 66 B9R1.8 NOCC1=CC=CC=C1 Z90668722 [1,0,0,0,0,0|2,0,1]=4 67 B9R1.8 O/N=C/C1=NN=CC=C1 Z1726150759 [1,0,0,0,0,0|3,0,0]=4 68 B9R1.8 O=CCC1=CC=CC=C1 Z104472146 [1,0,0,0,0,0|0,0,2]=3 69 B9R1.8 OCCC1=CC=CC=C1 Z104473586 [1,0,0,0,0,0|0,0,1]=2 70 B9R1.8 OCCC1=CN=CC=C1 Z992949518 [1,0,0,0,0,0|1,0,1]=3 71 B9R1.8 OCCC1=NC=CC=C1 Z104473592 [1,0,0,0,0,0|1,0,1]=3 72 B9R1.8 OCCC1=NC=CN=C1 Z234895105 [1,0,0,0,0,0|2,0,1]=4 73 B9R1.8 OCCC1=NC=NC=C1 Z1250886882 [1,0,0,0,0,0|2,0,1]=4 74 B9R1.8 S=C=NC1=CC=CC=C1 Z56904678 [1,0,0,0,0,0|1,1,1]=4 75 B11R1.1 BrCCOC1=CC=C(C=C1)Br Z56887702 [0,1,0,0,0,0|2,0,1]=4 76 B11R1.1 CC1=CC=C(C=C1)CCCN Z4639316723 [0,1,0,0,0,0|1,0,2]=4 77 B11R1.1 CC1=CC=C(C=C1)OCCBr Z56886357 [0,1,0,0,0,0|2,0,1]=4 78 B11R1.1 CC1=CC=C(C=C1)OCCN Z54747869 [0,1,0,0,0,0|2,0,1]=4 79 B11R1.1 CC1=CC=C(C=C1)SCCCl Z90122598 [0,1,0,0,0,0|2,0,1]=4 80 B11R1.1 CC1=CC=C(C=C1)SCCO Z149178580 [0,1,0,0,0,0|1,0,1]=3 81 B11R1.1 CC1=NC=C(C=C1)/C=C/C=O Z1695735078 [0,1,0,0,0,0|1,0,2]=4 82 B11R1.1 CCCCC1=CC=C(C=C1)N Z104475500 [0,1,0,0,0,0|1,0,2]=4 83 B11R1.1 CCCNC1=CC=C(C=C1)Cl Z1266933829 [0,1,0,0,0,0|2,0,1]=4 84 B11R1.1 CCCOC1=CC=C(C=C1)N Z239604724 [0,1,0,0,0,0|2,0,1]=4 85 B11R1.1 CCNCC1=CC=C(C=C1)F Z3244655509 [0,1,0,0,0,0|2,0,1]=4 86 B11R1.1 CCOCC1=CC=C(C=C1)Br Z823854370 [0,1,0,0,0,0|2,0,1]=4 87 B11R1.1 CCOCC1=CC=C(C=C1)N Z240084570 [0,1,0,0,0,0|2,0,1]=4 88 B11R1.1 CCSCC1=CC=C(C=C1)N Z332378208 [0,1,0,0,0,0|2,0,1]=4 89 B11R1.1 ClC1=CC=C(C=C1)OCCBr Z56926557 [0,1,0,0,0,0|2,0,1]=4 90 B11R1.1 ClCCSC1=CC=C(C=C1)Cl Z55993025 [0,1,0,0,0,0|2,0,1]=4 91 B11R1.1 FCCOC1=CC=C(C=C1)Br Z1269166672 [0,1,0,0,0,0|2,0,1]=4 92 B11R1.1 N#C/C=C/C1=CC=C(C=C1)Cl Z57640817 [0,1,0,0,0,0|1,0,1]=3 93 B11R1.1 NC/C=C/C1=CC=C(C=C1)Br Z2235681463 [0,1,0,0,0,0|1,0,0]=2 94 B11R1.1 NC1=CC=C(C=C1)OCCF Z1262631146 [0,1,0,0,0,0|2,0,1]=4 95 B11R1.1 NC1=CC=C(C=C1)OCCO Z332379386 [0,1,0,0,0,0|1,0,1]=3 96 B11R1.1 NCC#CC1=CC=C(C=C1)I Z4775597113 [0,1,0,0,0,0|1,0,2]=4 97 B11R1.1 NCCCC1=CC=C(C=C1)Br Z3980240042 [0,1,0,0,0,0|1,0,2]=4 98 B11R1.1 NCCCC1=CC=C(C=C1)Cl Z992716848 [0,1,0,0,0,0|1,0,2]=4 99 B11R1.1 NCCCC1=CC=C(C=C1)F Z3244753845 [0,1,0,0,0,0|1,0,2]=4 100 B11R1.1 NCCCC1=CC=C(C=C1)N Z5453008768 [0,1,0,0,0,0|1,0,2]=4 101 B11R1.1 NCCCC1=CC=C(C=C1)O Z1270210797 [0,1,0,0,0,0|1,0,2]=4 102 B11R1.1 NCCNC1=CC=C(C=C1)O Z3386315806 [0,1,0,0,0,0|2,0,1]=4 103 B11R1.1 NCCOC1=CC=C(C=C1)Br Z1262237188 [0,1,0,0,0,0|2,0,1]=4 104 B11R1.1 NCCOC1=CC=C(C=C1)Cl Z85957193 [0,1,0,0,0,0|2,0,1]=4 105 B11R1.1 NCCOC1=CC=C(C=C1)F Z87000937 [0,1,0,0,0,0|2,0,1]=4 106 B11R1.1 NCCOC1=CC=C(C=C1)I Z381428104 [0,1,0,0,0,0|2,0,1]=4 107 B11R1.1 NCCSC1=CC=C(C=C1)Br Z262221984 [0,1,0,0,0,0|2,0,1]=4 108 B11R1.1 NCCSC1=CC=C(C=C1)Cl Z54751093 [0,1,0,0,0,0|2,0,1]=4 109 B11R1.1 NCCSC1=CC=C(C=C1)F Z1267773811 [0,1,0,0,0,0|2,0,1]=4 110 B11R1.1 O=C/C=C/C1=CC=C(C=C1)Br Z1269187977 [0,1,0,0,0,0|0,0,2]=3 111 B11R1.1 O=C/C=C/C1=CC=C(C=C1)Cl Z2242062296 [0,1,0,0,0,0|0,0,2]=3 112 B11R1.1 O=C/C=C/C1=CC=C(C=C1)F Z2768202189 [0,1,0,0,0,0|0,0,2]=3 113 B11R1.1 OC/C=C/C1=CC=C(C=C1)O Z2235811101 [0,1,0,0,0,0|0,0,0]=1 114 B11R1.1 OCC#CC1=CC=C(C=C1)Cl Z540350074 [0,1,0,0,0,0|0,0,2]=3 115 B11R1.1 OCC#CC1=NC=C(C=C1)Br Z1416179292 [0,1,0,0,0,0|1,0,2]=4 116 B11R1.1 OCCCC1=CC=C(C=C1)F Z992949550 [0,1,0,0,0,0|0,0,2]=3 117 B11R1.1 OCCNC1=CC=C(C=C1)Br Z335275406 [0,1,0,0,0,0|1,0,1]=3 118 B11R1.1 OCCNC1=NC=C(C=C1)I Z1269164771 [0,1,0,0,0,0|2,0,1]=4 119 B11R1.1 OCCOC1=CC=C(C=C1)Br Z335092354 [0,1,0,0,0,0|1,0,1]=3 120 B11R1.1 OCCOC1=CC=C(C=C1)O Z381414946 [0,1,0,0,0,0|1,0,1]=3 121 B11R1.1 OCCOC1=NC=C(C=C1)Br Z808609020 [0,1,0,0,0,0|2,0,1]=4 122 B11R1.1 OCCSC1=CC=C(C=C1)Br Z149190682 [0,1,0,0,0,0|1,0,1]=3 123 B11R1.1 OCCSC1=CC=C(C=C1)Cl Z149162370 [0,1,0,0,0,0|1,0,1]=3 124 B11R1.16 C/C=C/C(=O)C1=CC=CC=C1 Z2259130553 [0,1,0,0,0,0|1,0,1]=3 125 B11R1.16 CCCC(=O)C1=CC=CC=C1 Z104477742 [0,1,0,0,0,0|1,0,1]=3 126 B11R1.16 CCCC(=O)C1=CN=CC=C1 Z513733856 [0,1,0,0,0,0|2,0,1]=4 127 B11R1.16 CCCC(=O)C1=NC=CC=C1 Z513733774 [0,1,0,0,0,0|2,0,1]=4 128 B11R1.16 CCCC(O)C1=CC=CC=C1 Z335244704 [0,1,0,0,0,0|1,0,2]=4 129 B11R1.16 CCOC(=O)C1=CC=CC=C1 Z53835169 [0,1,0,0,0,0|2,0,0]=3 130 B11R1.16 CCOC(=O)C1=CC=NC=C1 Z53833081 [0,1,0,0,0,0|3,0,0]=4 131 B11R1.16 CCOC(=O)C1=CN=CC=C1 Z104476924 [0,1,0,0,0,0|3,0,0]=4 132 B11R1.16 CN(CCN)C1=CC=CC=C1 Z154669318 [0,1,0,0,0,0|2,0,1]=4 133 B11R1.16 CN(CCO)C1=CC=CC=C1 Z138702688 [0,1,0,0,0,0|1,0,1]=3 134 B11R1.16 CN(CCO)C1=NC=CC=C1 Z54633859 [0,1,0,0,0,0|2,0,1]=4 135 B11R1.16 CSCC(=O)C1=CC=CC=C1 Z732208586 [0,1,0,0,0,0|2,0,1]=4 136 B11R1.16 N#C/C=C(\Cl)/C1=CC=CC=C1 Z56912627 [0,1,0,0,0,0|1,0,1]=3 137 B11R1.16 N#C/C=C(\N)/C1=CC=CC=C1 Z2259146567 [0,1,0,0,0,0|1,0,1]=3 138 B11R1.16 N#CCC(=O)C1=CC=CC=C1 Z56899088 [0,1,0,0,0,0|1,0,2]=4 139 B11R1.16 N#CNC(=O)C1=CC=CC=C1 Z276572712 [0,1,0,0,0,0|2,0,1]=4 140 B11R1.16 NC(CCO)C1=CC=CC=C1 Z382816560 [0,1,0,0,0,0|0,0,2]=3 141 B11R1.16 NCCC(O)C1=CC=CC=C1 Z1020673398 [0,1,0,0,0,0|1,0,2]=4 142 B11R1.16 NCCS(=O)C1=CC=CC=C1 Z1266854955 [0,1,0,0,0,0|2,0,1]=4 143 B11R1.16 O=C(CCCl)C1=CC=CC=C1 Z1065610596 [0,1,0,0,0,0|1,0,1]=3 144 B11R1.16 O=C(NCO)C1=CC=CC=C1 Z56799838 [0,1,0,0,0,0|1,0,0]=2 145 B11R1.16 O=C(NCO)C1=CN=CC=C1 Z57472937 [0,1,0,0,0,0|2,0,0]=3 146 B11R1.16 O=S(CCCl)C1=CC=CC=C1 Z421771494 [0,1,0,0,0,0|2,0,1]=4 147 B11R1.16 O[C@@H](CCCl)C1=CC=CC=C1 Z1255427232 [0,1,0,0,0,0|1,0,2]=4 148 B11R1.16 O[C@H](CCCl)C1=CC=CC=C1 Z1255356297 [0,1,0,0,0,0|1,0,2]=4 149 B11R1.17 CC1=C(C=CC=C1)CCCN Z424782962 [0,1,0,0,0,0|1,0,2]=4 150 B11R1.17 CC1=C(C=CC=C1)CCCO Z979436644 [0,1,0,0,0,0|0,0,2]=3 151 B11R1.17 CC1=C(C=CC=C1)OCCN Z223656356 [0,1,0,0,0,0|2,0,1]=4 152 B11R1.17 CCCNC1=C(C=CC=C1)F Z334942896 [0,1,0,0,0,0|2,0,1]=4 153 B11R1.17 CCCNC1=C(C=CC=C1)N Z94601320 [0,1,0,0,0,0|2,0,1]=4 154 B11R1.17 CCCOC1=C(C=CC=C1)Br Z54722000 [0,1,0,0,0,0|2,0,1]=4 155 B11R1.17 CCCOC1=C(C=CC=C1)N Z56968930 [0,1,0,0,0,0|2,0,1]=4 156 B11R1.17 CCCOC1=C(C=CC=C1)O Z55993120 [0,1,0,0,0,0|2,0,1]=4 157 B11R1.17 CCNCC1=C(C=CC=C1)Br Z1982494002 [0,1,0,0,0,0|2,0,1]=4 158 B11R1.17 CCNCC1=C(C=CC=C1)C Z90513218 [0,1,0,0,0,0|2,0,1]=4 159 B11R1.17 CCNCC1=C(C=CC=C1)Cl Z90513164 [0,1,0,0,0,0|2,0,1]=4 160 B11R1.17 CCNCC1=C(C=CC=C1)F Z286282968 [0,1,0,0,0,0|2,0,1]=4 161 B11R1.17 CCNCC1=C(C=CC=C1)N Z2351947311 [0,1,0,0,0,0|2,0,1]=4 162 B11R1.17 CCOCC1=C(C=CC=C1)N Z285163822 [0,1,0,0,0,0|2,0,1]=4 163 B11R1.17 ClC1=C(C=CC=C1)OCCBr Z56886267 [0,1,0,0,0,0|2,0,1]=4 164 B11R1.17 NC1=C(C=CC=C1)CCCO Z1198265858 [0,1,0,0,0,0|0,0,2]=3 165 B11R1.17 NC1=C(C=CC=C1)NCCO Z55928991 [0,1,0,0,0,0|1,0,1]=3 166 B11R1.17 NC1=C(C=CC=C1)OCCO Z3445703033 [0,1,0,0,0,0|1,0,1]=3 167 B11R1.17 NCCCC1=C(C=CC=C1)Cl Z1695729033 [0,1,0,0,0,0|1,0,2]=4 168 B11R1.17 NCCCC1=C(C=CC=C1)F Z424783030 [0,1,0,0,0,0|1,0,2]=4 169 B11R1.17 NCCNC1=C(C=CC=C1)N Z991530054 [0,1,0,0,0,0|2,0,1]=4 170 B11R1.17 NCCOC1=C(C=CC=C1)Br Z803145324 [0,1,0,0,0,0|2,0,1]=4 171 B11R1.17 NCCOC1=C(C=CC=C1)Cl Z54747867 [0,1,0,0,0,0|2,0,1]=4 172 B11R1.17 NCCOC1=C(C=CC=C1)F Z1272739857 [0,1,0,0,0,0|2,0,1]=4 173 B11R1.17 NCCOC1=C(C=CC=C1)O Z3217405430 [0,1,0,0,0,0|2,0,1]=4 174 B11R1.17 NCCSC1=C(C=CC=C1)F Z57971449 [0,1,0,0,0,0|2,0,1]=4 175 B11R1.17 O=C1C=CC=CN1CCCO Z425794816 [0,1,0,0,0,0|1,0,2]=4 176 B11R1.17 OCCCC1=C(C=CC=C1)Br Z992949552 [0,1,0,0,0,0|0,0,2]=3 177 B11R1.17 OCCOC1=C(C=CC=C1)Br Z149303034 [0,1,0,0,0,0|1,0,1]=3 178 B11R1.17 OCCOC1=C(C=CC=C1)F Z425795714 [0,1,0,0,0,0|1,0,1]=3 179 B11R1.17 OCCOC1=C(C=CC=C1)O Z56755902 [0,1,0,0,0,0|1,0,1]=3 180 B11R1.17 OCCSC1=C(C=CC=C1)Br Z149386602 [0,1,0,0,0,0|1,0,1]=3 181 B11R1.17 OCCSC1=C(C=CC=C1)Cl Z149174540 [0,1,0,0,0,0|1,0,1]=3 182 B11R1.17 OCCSC1=C(C=CC=N1)F Z997724398 [0,1,0,0,0,0|2,0,1]=4 183 B11R1.24 BrCCOC1=CC(=CC=C1)Br Z56886268 [0,1,0,0,0,0|2,0,1]=4 184 B11R1.24 CC1=CC(=CC=C1)CCCN Z4993130622 [0,1,0,0,0,0|1,0,2]=4 185 B11R1.24 CC1=CC(=CC=C1)CCCO Z979436642 [0,1,0,0,0,0|0,0,2]=3 186 B11R1.24 CC1=CC(=CC=C1)OCCBr Z56886266 [0,1,0,0,0,0|2,0,1]=4 187 B11R1.24 CC1=CC(=CC=C1)OCCN Z85926240 [0,1,0,0,0,0|2,0,1]=4 188 B11R1.24 CC1=CC(=CN=C1)CCCO Z1216820424 [0,1,0,0,0,0|1,0,2]=4 189 B11R1.24 CC1=CC(=NC=C1)NCCO Z1250080924 [0,1,0,0,0,0|2,0,1]=4 190 B11R1.24 CC1=NC(=CC=C1)CCCO Z104479712 [0,1,0,0,0,0|1,0,2]=4 191 B11R1.24 CCCOC1=CC(=CC=C1)Br Z54848718 [0,1,0,0,0,0|2,0,1]=4 192 B11R1.24 CCCOC1=CC(=CC=C1)N Z239604770 [0,1,0,0,0,0|2,0,1]=4 193 B11R1.24 CCCOC1=CC(=CC=C1)O Z381415572 [0,1,0,0,0,0|2,0,1]=4 194 B11R1.24 CCNCC1=CC(=CC=C1)Br Z1138763375 [0,1,0,0,0,0|2,0,1]=4 195 B11R1.24 CCNCC1=CC(=CC=C1)C Z90513252 [0,1,0,0,0,0|2,0,1]=4 196 B11R1.24 CCNCC1=CC(=CC=C1)Cl Z90513201 [0,1,0,0,0,0|2,0,1]=4 197 B11R1.24 CCNCC1=CC(=CC=C1)F Z85935746 [0,1,0,0,0,0|2,0,1]=4 198 B11R1.24 CCOCC1=CC(=CC=C1)N Z285163820 [0,1,0,0,0,0|2,0,1]=4 199 B11R1.24 CCSCC1=CC(=CC=C1)N Z332378038 [0,1,0,0,0,0|2,0,1]=4 200 B11R1.24 NC1=CC(=CC=C1)CCCO Z1198265859 [0,1,0,0,0,0|0,0,2]=3 201 B11R1.24 NC1=CC(=CC=C1)OCCF Z1262657442 [0,1,0,0,0,0|2,0,1]=4 202 B11R1.24 NCC#CC1=CC(=CC=C1)F Z2004547701 [0,1,0,0,0,0|1,0,2]=4 203 B11R1.24 NCCCC1=CC(=CC=C1)Br Z1266823414 [0,1,0,0,0,0|1,0,2]=4 204 B11R1.24 NCCCC1=CC(=CC=C1)Cl Z1262246154 [0,1,0,0,0,0|1,0,2]=4 205 B11R1.24 NCCCC1=CC(=CC=C1)F Z424782946 [0,1,0,0,0,0|1,0,2]=4 206 B11R1.24 NCCCC1=CC(=CC=C1)O Z1895582955 [0,1,0,0,0,0|1,0,2]=4 207 B11R1.24 NCCOC1=CC(=CC=C1)Br Z744843646 [0,1,0,0,0,0|2,0,1]=4 208 B11R1.24 NCCOC1=CC(=CC=C1)Cl Z425484860 [0,1,0,0,0,0|2,0,1]=4 209 B11R1.24 NCCOC1=CC(=CC=C1)F Z381785786 [0,1,0,0,0,0|2,0,1]=4 210 B11R1.24 O=C/C=C/C1=CC=CC(=C1)F Z1198179803 [0,1,0,0,0,0|0,0,2]=3 211 B11R1.24 OC/C=C/C1=CC(=CN=C1)Br Z1703199250 [0,1,0,0,0,0|1,0,0]=2 212 B11R1.24 OCCNC1=CC(=CC=C1)F Z335274246 [0,1,0,0,0,0|1,0,1]=3 213 B11R1.24 OCCOC1=CC(=CC=C1)Br Z335092356 [0,1,0,0,0,0|1,0,1]=3 214 B11R1.24 OCCOC1=CC(=CC=C1)Cl Z149166432 [0,1,0,0,0,0|1,0,1]=3 215 B11R1.24 OCCOC1=CC(=CN=C1)Br Z1206893175 [0,1,0,0,0,0|2,0,1]=4 216 B11R1.28 BrCCCOC1=CC=CC=C1 Z90122132 [0,1,0,0,0,0|1,0,2]=4 217 B11R1.28 C#CCCOC1=CC=CC=C1 Z1143222703 [0,1,0,0,0,0|2,0,1]=4 218 B11R1.28 C#CCNCC1=CC=CC=C1 Z2082999436 [0,1,0,0,0,0|2,0,1]=4 219 B11R1.28 C=CCNCC1=CC=CC=C1 Z86135577 [0,1,0,0,0,0|2,0,1]=4 220 B11R1.28 CCCCCC1=CC=CC=C1 Z199507042 [0,1,0,0,0,0|1,0,2]=4 221 B11R1.28 CCCNCC1=CC=CC=C1 Z56946091 [0,1,0,0,0,0|1,0,2]=4 222 B11R1.28 CCNCCC1=CC=CC=C1 Z444350074 [0,1,0,0,0,0|1,0,2]=4 223 B11R1.28 CCOCCC1=CC=CC=C1 Z1198150519 [0,1,0,0,0,0|1,0,2]=4 224 B11R1.28 CNCCCC1=CC=CC=C1 Z102767020 [0,1,0,0,0,0|1,0,2]=4 225 B11R1.28 CNCCOC1=CC=CC=C1 Z56945505 [0,1,0,0,0,0|2,0,1]=4 226 B11R1.28 COCCNC1=CC=CC=C1 Z266463556 [0,1,0,0,0,0|1,0,1]=3 227 B11R1.28 COCCNC1=CC=NC=C1 Z359297138 [0,1,0,0,0,0|2,0,1]=4 228 B11R1.28 ClCCCOC1=CC=CC=C1 Z275020186 [0,1,0,0,0,0|1,0,2]=4 229 B11R1.28 ClCCNCC1=CC=CC=C1 Z57158447 [0,1,0,0,0,0|1,0,2]=4 230 B11R1.28 N#CCCNC1=CC=CC=C1 Z56915949 [0,1,0,0,0,0|2,0,1]=4 231 B11R1.28 N#CCCOC1=CC=CC=C1 Z54337114 [0,1,0,0,0,0|2,0,1]=4 232 B11R1.28 N#CCNCC1=CC=CC=C1 Z266079624 [0,1,0,0,0,0|2,0,1]=4 233 B11R1.28 N#CCOCC1=CC=CC=C1 Z295205356 [0,1,0,0,0,0|2,0,1]=4 234 B11R1.28 N#CCSCC1=CC=CC=C1 Z54337756 [0,1,0,0,0,0|2,0,1]=4 235 B11R1.28 NCCCCC1=CC=CC=C1 Z2574929438 [0,1,0,0,0,0|1,0,2]=4 236 B11R1.28 NCCCNC1=CC=CC=C1 Z756919512 [0,1,0,0,0,0|1,0,2]=4 237 B11R1.28 NCCCOC1=CC=CC=C1 Z234895129 [0,1,0,0,0,0|1,0,2]=4 238 B11R1.28 NCCCSC1=CC=CC=C1 Z262222134 [0,1,0,0,0,0|1,0,2]=4 239 B11R1.28 NCCOCC1=CC=CC=C1 Z271005946 [0,1,0,0,0,0|1,0,2]=4 240 B11R1.28 O=CCCCC1=CC=CC=C1 Z993017616 [0,1,0,0,0,0|0,0,3]=4 241 B11R1.28 O=CCOCC1=CC=CC=C1 Z906195396 [0,1,0,0,0,0|1,0,2]=4 242 B11R1.28 O=CCSCC1=CC=CC=C1 Z854102762 [0,1,0,0,0,0|1,0,2]=4 243 B11R1.28 OCCCNC1=CC=CC=C1 Z104584292 [0,1,0,0,0,0|0,0,2]=3 244 B11R1.28 OCCCNC1=CC=NC=C1 Z359301948 [0,1,0,0,0,0|1,0,2]=4 245 B11R1.28 OCCCNC1=NC=CC=C1 Z31220937 [0,1,0,0,0,0|1,0,2]=4 246 B11R1.28 OCCCSC1=CC=CC=C1 Z104650330 [0,1,0,0,0,0|0,0,2]=3 247 B11R1.28 OCCNCC1=CN=CC=C1 Z90504502 [0,1,0,0,0,0|1,0,2]=4 248 B11R1.28 OCCOCC1=CC=CC=C1 Z854223062 [0,1,0,0,0,0|0,0,2]=3 249 B11R1.40 C#CC(=O)CC1=CC=CC=C1 Z1266856334 [0,1,0,0,0,0|1,0,2]=4 250 B11R1.40 C/C(=C\C1=CC=CC=C1)/C=O Z3219847417 [0,1,0,0,0,0|0,0,2]=3 251 B11R1.40 C=CC(=O)NC1=CC=CC=C1 Z440633536 [0,1,0,0,0,0|2,0,1]=4 252 B11R1.40 CC(CN)NC1=CC=CC=C1 Z1198235985 [0,1,0,0,0,0|2,0,1]=4 253 B11R1.40 CC(CN)OC1=CC=CC=C1 Z1245635737 [0,1,0,0,0,0|2,0,1]=4 254 B11R1.40 CC(CN)SC1=CC=CC=C1 Z844632804 [0,1,0,0,0,0|2,0,1]=4 255 B11R1.40 CCC(=O)CC1=CN=CC=C1 Z992407884 [0,1,0,0,0,0|2,0,1]=4 256 B11R1.40 CCC(N)CC1=CC=CC=C1 Z431980016 [0,1,0,0,0,0|1,0,2]=4 257 B11R1.40 CCC(O)CC1=CC=CC=C1 Z513749284 [0,1,0,0,0,0|1,0,2]=4 258 B11R1.40 CC[C@@H](O)CC1=CC=CC=C1 Z1262397064 [0,1,0,0,0,0|1,0,2]=4 259 B11R1.40 CC[C@H](O)CC1=CC=CC=C1 Z1262397065 [0,1,0,0,0,0|1,0,2]=4 260 B11R1.40 CNC(=O)NC1=CC=CC=C1 Z55293754 [0,1,0,0,0,0|3,0,0]=4 261 B11R1.40 CNC(=S)NC1=CC=CC=C1 Z45796176 [0,1,0,0,0,0|3,0,0]=4 262 B11R1.40 CS/C(=N/C1=CC=CC=C1)/N Z107728768 [0,1,0,0,0,0|3,0,0]=4 263 B11R1.40 N/C(=N\O)/CC1=NC=CC=C1 Z285132826 [0,1,0,0,0,0|2,0,1]=4 264 B11R1.40 N=C(NN)NC1=CC=CC=C1 Z2768171754 [0,1,0,0,0,0|3,0,0]=4 265 B11R1.40 NC(CO)CC1=CC=CC=C1 Z234898263 [0,1,0,0,0,0|0,0,2]=3 266 B11R1.40 NC(CO)CC1=CC=NC=C1 Z1824511267 [0,1,0,0,0,0|1,0,2]=4 267 B11R1.40 NCC(=O)CC1=CC=CC=C1 Z1569708978 [0,1,0,0,0,0|1,0,1]=3 268 B11R1.40 NCC(=O)NC1=CC=CC=C1 Z594413794 [0,1,0,0,0,0|2,0,0]=3 269 B11R1.40 NCC(=O)NC1=CC=NC=C1 Z1459449301 [0,1,0,0,0,0|3,0,0]=4 270 B11R1.40 NCC(=O)NC1=NC=CC=C1 Z1459449767 [0,1,0,0,0,0|3,0,0]=4 271 B11R1.40 NCC(F)CC1=CC=CC=C1 Z2740416678 [0,1,0,0,0,0|1,0,2]=4 272 B11R1.40 NCC(N)CC1=CC=CC=C1 Z425861056 [0,1,0,0,0,0|1,0,2]=4 273 B11R1.40 NCC(O)CC1=CC=CC=C1 Z419084966 [0,1,0,0,0,0|1,0,2]=4 274 B11R1.40 NNC(=O)CC1=CC=CC=C1 Z56867310 [0,1,0,0,0,0|2,0,1]=4 275 B11R1.40 NNC(=O)NC1=CC=CC=C1 Z56855648 [0,1,0,0,0,0|3,0,0]=4 276 B11R1.40 NNC(=S)NC1=CC=CC=C1 Z56836896 [0,1,0,0,0,0|3,0,0]=4 277 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 Z1157651018 [0,1,0,0,0,0|0,0,2]=3 278 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 Z1741982891 [0,1,0,0,0,0|0,0,2]=3 279 B11R1.40 O=C(CCl)CC1=CC=CC=C1 Z164706024 [0,1,0,0,0,0|1,0,1]=3 280 B11R1.40 O=C(CCl)NC1=CC=CC=C1 Z56889119 [0,1,0,0,0,0|2,0,0]=3 281 B11R1.40 O=C(CCl)NC1=CC=NC=C1 Z2238905122 [0,1,0,0,0,0|3,0,0]=4 282 B11R1.40 O=C(CCl)NC1=CN=CC=C1 Z1558574655 [0,1,0,0,0,0|3,0,0]=4 283 B11R1.40 O=C(CCl)NC1=NC=CC=C1 Z2753743270 [0,1,0,0,0,0|3,0,0]=4 284 B11R1.40 O=C(CO)NC1=CC=CC=C1 Z228585444 [0,1,0,0,0,0|1,0,0]=2 285 B11R1.40 O=C/C(=C/C1=CC=CC=C1)/Br Z2312942099 [0,1,0,0,0,0|0,0,2]=3 286 B11R1.40 O=C/C(=C/C1=CC=CC=C1)/Cl Z104475950 [0,1,0,0,0,0|0,0,2]=3 287 B11R1.91 CC(=O)/C=C/C1=CC=CC=C1 Z2582847786 [0,1,0,0,0,0|0,0,2]=3 288 B11R1.91 CC(=O)/C=C/C1=NC=CC=C1 Z2004564056 [0,1,0,0,0,0|1,0,2]=4 289 B11R1.91 CC(C)CNC1=CC=CC=C1 Z2092369729 [0,1,0,0,0,0|2,0,1]=4 290 B11R1.91 CC(N)CCC1=CC=CC=C1 Z104476462 [0,1,0,0,0,0|1,0,2]=4 291 B11R1.91 CC(N)COC1=CC=CC=C1 Z600397650 [0,1,0,0,0,0|2,0,1]=4 292 B11R1.91 CC(O)CNC1=CC=CC=C1 Z234898271 [0,1,0,0,0,0|1,0,1]=3 293 B11R1.91 C[C@H](N)CCC1=CC=CC=C1 Z5044990030 [0,1,0,0,0,0|1,0,2]=4 294 B11R1.91 FC(F)SCC1=CC=CC=C1 Z55626056 [0,1,0,0,0,0|2,0,1]=4 295 B11R1.91 NC(=O)/C=C/C1=CN=CC=C1 Z284112150 [0,1,0,0,0,0|1,0,2]=4 296 B11R1.91 O=C(O)/C=C/C1=CC=CC=C1 Z104474406 [0,1,0,0,0,0|0,0,1]=2 297 B11R1.91 O=C(O)/C=C/C1=CC=NC=C1 Z2315575398 [0,1,0,0,0,0|1,0,1]=3 298 B11R1.91 O=C(O)/C=C/C1=CN=CC=C1 Z2315575379 [0,1,0,0,0,0|1,0,1]=3 299 B11R1.91 O=C(O)/C=C/C1=NC=CC=C1 Z57069085 [0,1,0,0,0,0|1,0,1]=3 300 B11R1.91 O=C(O)/C=C/C1=NC=CN=C1 Z445220894 [0,1,0,0,0,0|2,0,1]=4 301 B11R1.91 O=C(O)/C=C/C1=NC=NC=C1 Z1184882069 [0,1,0,0,0,0|2,0,1]=4 302 B11R1.91 O=C(O)C#CC1=CC=CC=C1 Z271128592 [0,1,0,0,0,0|0,0,3]=4 303 B11R1.91 O=C(O)CCC1=CC=CC=C1 Z57127332 [0,1,0,0,0,0|0,0,3]=4 304 B11R1.91 O=C(O)CNC1=CC=CC=C1 Z104496210 [0,1,0,0,0,0|1,0,2]=4 305 B11R1.91 O=C(O)COC1=CC=CC=C1 Z57182011 [0,1,0,0,0,0|1,0,2]=4 306 B11R1.91 O=C(O)CSC1=CC=CC=C1 Z104484982 [0,1,0,0,0,0|1,0,2]=4 307 B11R1.91 OB(O)/C=C/C1=CC=CC=C1 Z2315575087 [0,1,0,0,0,0|1,0,0]=2 308 B11R1.91 OB(O)CCC1=CC=CC=C1 Z1147227790 [0,1,0,0,0,0|1,0,2]=4 309 B11R2.1 CC1=CNC2=C1C=CC=C2 Z415653134 [0,0,0,1,0,0|2,0,1]=4 310 B11R2.1 CC1=COC2=C1C=CC=C2 Z1203161674 [0,0,0,1,0,0|2,0,1]=4 311 B11R2.1 CC1CNC2=C1C=CC=C2 Z415739264 [0,0,0,1,0,0|2,0,1]=4 312 B11R2.1 CC1NCC2=C1C=CC=C2 Z1203731964 [0,0,0,1,0,0|2,0,1]=4 313 B11R2.1 CN1C=CC2=C1C=CN=C2 Z1255373921 [0,0,0,1,0,0|3,0,0]=4 314 B11R2.1 CN1C=NC2=C1C=CC=C2 Z53833303 [0,0,0,1,0,0|3,0,0]=4 315 B11R2.1 C[N+]1=CSC2=C1C=CC=C2 Z56791134 [0,0,0,1,0,0|3,0,0]=4 316 B11R2.1 ClC1=CNC2=C1C=CC=C2 Z1020823312 [0,0,0,1,0,0|2,0,1]=4 317 B11R2.1 NC1CCC2=C1C=CC=C2 Z168884748 [0,0,0,1,0,0|1,0,2]=4 318 B11R2.1 NC1CSC2=C1C=CC=C2 Z431544668 [0,0,0,1,0,0|2,0,1]=4 319 B11R2.1 NN1C=NC2=C1C=CC=C2 Z99599676 [0,0,0,1,0,0|3,0,0]=4 320 B11R2.1 N[C@@H]1CCC2=C1C=CC=C2 Z1741972748 [0,0,0,1,0,0|1,0,2]=4 321 B11R2.1 OB1OCC2=C1C=CC=C2 Z1255356609 [0,0,0,1,0,0|2,0,1]=4 322 B11R2.1 OC1COC2=C1C=CC=C2 Z1267884639 [0,0,0,1,0,0|1,0,1]=3 323 B11R2.1 ON1N=NC2=C1C=CC=C2 Z56900935 [0,0,0,1,0,0|3,0,0]=4 324 B11R2.1 O[C@@H]1CSC2=C1C=CC=C2 Z1438326029 [0,0,0,1,0,0|1,0,1]=3 325 B11R2.4 N[C@@H]1C[C@@H]1C2=CC=CC=C2 Z2309888982 [0,0,0,1,0,0|1,0,2]=4 326 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 Z2296167800 [0,0,0,1,0,0|1,0,2]=4 327 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 Z2517097696 [0,0,0,1,0,0|1,0,2]=4 328 B11R2.20 C1=CC2=C(C=C1)C=CC=C2 Z104506008 [0,0,0,1,0,0|1,0,1]=3 329 B11R2.20 C1=CC2=C(C=C1)C=NC=C2 Z104472854 [0,0,0,1,0,0|2,0,0]=3 330 B11R2.20 C1=CC2=C(C=C1)CCC=C2 Z237493310 [0,0,0,1,0,0|1,0,0]=2 331 B11R2.20 C1=CC2=C(C=C1)CNCC2 Z57834231 [0,0,0,1,0,0|2,0,1]=4 332 B11R2.20 C1=CC2=C(C=C1)COCC2 Z756090080 [0,0,0,1,0,0|2,0,1]=4 333 B11R2.20 C1=CC2=C(C=C1)N=CC=C2 Z104472852 [0,0,0,1,0,0|1,0,1]=3 334 B11R2.20 C1=CC2=C(C=C1)N=CC=N2 Z104495568 [0,0,0,1,0,0|2,0,1]=4 335 B11R2.20 C1=CC2=C(C=C1)OCCC2 Z728136016 [0,0,0,1,0,0|0,0,2]=3 336 B11R2.20 C1=CC2=C(C=C1)OCCN2 Z228584850 [0,0,0,1,0,0|1,0,1]=3 337 B11R2.20 C1=CC2=C(C=C1)SCCN2 Z56943460 [0,0,0,1,0,0|1,1,1]=4 338 B11R2.20 C1=CC2=C(C=CC=N2)N=C1 Z212045452 [0,0,0,1,0,0|2,0,1]=4 339 B11R2.20 C1=CC2=C(C=CN=C2)N=C1 Z1201618481 [0,0,0,1,0,0|2,0,1]=4 340 B11R2.20 C1=CC2=C(C=N1)NCCO2 Z2217033032 [0,0,0,1,0,0|2,0,1]=4 341 B11R2.20 C1=CC2=C(C=NC=C2)N=C1 Z1198330965 [0,0,0,1,0,0|2,0,1]=4 342 B11R2.20 C1=CC2=C(N=C1)N=CC=C2 Z1201618482 [0,0,0,1,0,0|2,0,1]=4 343 B11R2.20 C1=CC2=C(N=C1)OCCN2 Z1201624799 [0,0,0,1,0,0|2,0,1]=4 344 B11R2.20 C1=CC2=CN=CC=C2C=N1 Z1255356832 [0,0,0,1,0,0|3,0,0]=4 345 B11R2.238 C1=CC=C(C=C1)CC2CO2 Z1020680006 [0,0,0,1,0,0|0,0,2]=3 346 B11R2.238 C1=CC=C(C=C1)C[C@@H]2CO2 Z1617991494 [0,0,0,1,0,0|0,0,2]=3 347 B11R2.238 C1=CC=C(C=C1)C[C@H]2CO2 Z2216712384 [0,0,0,1,0,0|0,0,2]=3 348 B11R2.238 C1=CC=C(C=C1)NC2CC2 Z1203731288 [0,0,0,1,0,0|2,0,1]=4 349 B11R2.239 C1=CC=C(C=C1)C2CCN2 Z359510120 [0,0,0,1,0,0|1,0,2]=4 350 B11R2.988 NCC1CC2=C1C=CC=C2 Z234895091 [0,0,0,1,0,0|1,0,2]=4 351 B9R1.12 O=C/C=C/C1=CC=CO1 Z3219926044 [0,0,0,0,1,0|1,0,2]=4 352 B9R1.12 OCCCC1=COC=C1 Z1198265634 [0,0,0,0,1,0|1,0,2]=4 353 B9R1.12 OCCCC1=CSC=C1 Z993012564 [0,0,0,0,1,0|1,0,2]=4 354 B8R1.2 C=CC1=CC=CC=C1 Z104474664 [2,0,0,0,0,0|0,0,0]=2 355 B8R1.2 C=CC1=NC=CC=C1 Z104495554 [2,0,0,0,0,0|1,0,0]=3 356 B8R1.2 CCC1=CC=CC=C1 Z104473632 [2,0,0,0,0,0|0,0,1]=3 357 B8R1.2 CCC1=CC=NC=C1 Z1251171246 [2,0,0,0,0,0|1,0,1]=4 358 B8R1.2 CCC1=CN=CC=C1 Z104476778 [2,0,0,0,0,0|1,0,1]=4 359 B8R1.2 CCC1=NC=CC=C1 Z113558650 [2,0,0,0,0,0|1,0,1]=4 360 B8R1.2 CNC1=CC=CC=C1 Z104472478 [2,0,0,0,0,0|1,0,0]=3 361 B8R1.2 CNC1=CN=CC=C1 Z1082871080 [2,0,0,0,0,0|2,0,0]=4 362 B8R1.2 COC1=CC=CC=C1 Z53833865 [2,0,0,0,0,0|1,0,0]=3 363 B8R1.2 CSC1=CC=NC=C1 Z1376456468 [2,0,0,0,0,0|2,0,0]=4 364 B8R1.2 Cl[Se]C1=CC=CC=C1 Z1255485131 [2,0,0,0,0,0|2,0,0]=4 365 B8R1.2 N#CC1=CC=CC=C1 Z104473628 [2,0,0,0,0,0|1,0,1]=4 366 B8R1.2 NCC1=CC=CC=C1 Z54748260 [2,0,0,0,0,0|1,0,0]=3 367 B8R1.2 NCC1=CC=NC=C1 Z104474354 [2,0,0,0,0,0|2,0,0]=4 368 B8R1.2 NCC1=CN=CC=C1 Z104474366 [2,0,0,0,0,0|2,0,0]=4 369 B8R1.2 NCC1=NC=CC=C1 Z104474352 [2,0,0,0,0,0|2,0,0]=4 370 B8R1.2 NNC1=CC=CC=C1 Z104472442 [2,0,0,0,0,0|2,0,0]=4 371 B8R1.2 O=CC1=CC=NC=C1 Z57161993 [2,0,0,0,0,0|1,0,1]=4 372 B8R1.2 O=CC1=CN=CC=C1 Z104472124 [2,0,0,0,0,0|1,0,1]=4 373 B8R1.2 O=CC1=NC=CC=C1 Z104472152 [2,0,0,0,0,0|1,0,1]=4 374 B8R1.2 OCC1=CC=CC=C1 Z104476418 [2,0,0,0,0,0|0,0,0]=2 375 B8R1.2 OCC1=CC=NC=C1 Z335244866 [2,0,0,0,0,0|1,0,0]=3 376 B8R1.2 OCC1=CN=CC=C1 Z104495622 [2,0,0,0,0,0|1,0,0]=3 377 B8R1.2 OCC1=NC=CC=C1 Z57921252 [2,0,0,0,0,0|1,0,0]=3 378 B10R1.1 CC1=CC=C(C=C1)/C=N/O Z49568558 [1,1,0,0,0,0|1,0,0]=3 379 B10R1.1 CC1=CC=C(C=C1)CC=O Z993017610 [1,1,0,0,0,0|0,0,2]=4 380 B10R1.1 CC1=CC=C(C=C1)CCN Z1268153218 [1,1,0,0,0,0|1,0,1]=4 381 B10R1.1 CC1=CC=C(C=C1)CCO Z397587076 [1,1,0,0,0,0|0,0,1]=3 382 B10R1.1 CCCC1=CC=C(C=C1)Br Z299596168 [1,1,0,0,0,0|0,0,2]=4 383 B10R1.1 CCCC1=CC=C(C=C1)N Z104492166 [1,1,0,0,0,0|0,0,2]=4 384 B10R1.1 CCNC1=CC=C(C=C1)Br Z286365048 [1,1,0,0,0,0|1,0,1]=4 385 B10R1.1 CCNC1=CC=C(C=C1)Cl Z2902298062 [1,1,0,0,0,0|1,0,1]=4 386 B10R1.1 CCNC1=CC=C(C=C1)F Z89270849 [1,1,0,0,0,0|1,0,1]=4 387 B10R1.1 CCNC1=CC=C(C=C1)N Z359511474 [1,1,0,0,0,0|1,0,1]=4 388 B10R1.1 CCNC1=CC=C(C=C1)O Z1823256830 [1,1,0,0,0,0|1,0,1]=4 389 B10R1.1 CCOC1=CC=C(C=C1)C Z53834228 [1,1,0,0,0,0|1,0,1]=4 390 B10R1.1 CCOC1=CC=C(C=C1)N Z57127438 [1,1,0,0,0,0|1,0,1]=4 391 B10R1.1 CCOC1=CC=C(C=C1)S Z166646982 [1,1,0,0,0,0|1,0,1]=4 392 B10R1.1 CNCC1=CC=C(C=C1)Br Z56175269 [1,1,0,0,0,0|1,0,1]=4 393 B10R1.1 CNCC1=CC=C(C=C1)C Z56944115 [1,1,0,0,0,0|1,0,1]=4 394 B10R1.1 CNCC1=CC=C(C=C1)Cl Z56956070 [1,1,0,0,0,0|1,0,1]=4 395 B10R1.1 CNCC1=CC=C(C=C1)F Z56963340 [1,1,0,0,0,0|1,0,1]=4 396 B10R1.1 CNCC1=CC=C(C=C1)I Z4242747560 [1,1,0,0,0,0|1,0,1]=4 397 B10R1.1 COCC1=CC=C(C=C1)N Z240084568 [1,1,0,0,0,0|1,0,1]=4 398 B10R1.1 CSCC1=CC=C(C=C1)Br Z19854469 [1,1,0,0,0,0|1,0,1]=4 399 B10R1.1 CSCC1=CC=C(C=C1)N Z732207336 [1,1,0,0,0,0|1,0,1]=4 400 B10R1.1 NC1=CC=C(C=C1)CCO Z276600190 [1,1,0,0,0,0|0,0,1]=3 401 B10R1.1 NC1=CN=C(C=C1)CCO Z1898597735 [1,1,0,0,0,0|1,0,1]=4 402 B10R1.1 NCCC1=CC=C(C=C1)Br Z285143750 [1,1,0,0,0,0|1,0,1]=4 403 B10R1.1 NCCC1=CC=C(C=C1)Cl Z57051065 [1,1,0,0,0,0|1,0,1]=4 404 B10R1.1 NCCC1=CC=C(C=C1)F Z90122126 [1,1,0,0,0,0|1,0,1]=4 405 B10R1.1 NCCC1=CC=C(C=C1)I Z2515133713 [1,1,0,0,0,0|1,0,1]=4 406 B10R1.1 NCCC1=CC=C(C=C1)O Z744729058 [1,1,0,0,0,0|1,0,1]=4 407 B10R1.1 O/N=C/C1=CC=C(C=C1)Br Z49568330 [1,1,0,0,0,0|1,0,0]=3 408 B10R1.1 O/N=C/C1=CC=C(C=C1)Cl Z49568332 [1,1,0,0,0,0|1,0,0]=3 409 B10R1.1 O/N=C/C1=CC=C(C=C1)F Z49568341 [1,1,0,0,0,0|1,0,0]=3 410 B10R1.1 O/N=C/C1=CC=C(C=C1)O Z49568314 [1,1,0,0,0,0|1,0,0]=3 411 B10R1.1 O=CCC1=CC=C(C=C1)Br Z1079442512 [1,1,0,0,0,0|0,0,2]=4 412 B10R1.1 O=CCC1=CC=C(C=C1)Cl Z993017718 [1,1,0,0,0,0|0,0,2]=4 413 B10R1.1 O=CCC1=CC=C(C=C1)F Z993017752 [1,1,0,0,0,0|0,0,2]=4 414 B10R1.1 O=CNC1=CC=C(C=C1)O Z87002541 [1,1,0,0,0,0|1,0,1]=4 415 B10R1.1 OCCC1=CC=C(C=C1)Br Z397587340 [1,1,0,0,0,0|0,0,1]=3 416 B10R1.1 OCCC1=CC=C(C=C1)F Z397587326 [1,1,0,0,0,0|0,0,1]=3 417 B10R1.1 OCCC1=CC=C(C=C1)O Z1250886919 [1,1,0,0,0,0|0,0,1]=3 418 B10R1.4 C=CCC1=C(C=CC=C1)O Z104493210 [1,1,0,0,0,0|0,0,2]=4 419 B10R1.4 CC1=C(C=CC=C1)/C=N/O Z49568554 [1,1,0,0,0,0|1,0,0]=3 420 B10R1.4 CC1=C(C=CC=C1)CC=O Z993017618 [1,1,0,0,0,0|0,0,2]=4 421 B10R1.4 CC1=C(N=CC=C1)CCO Z1198169041 [1,1,0,0,0,0|1,0,1]=4 422 B10R1.4 CCCC1=C(C=CC=C1)Br Z1479686725 [1,1,0,0,0,0|0,0,2]=4 423 B10R1.4 CCCC1=C(C=CC=C1)I Z821158622 [1,1,0,0,0,0|0,0,2]=4 424 B10R1.4 CCCC1=C(C=CC=C1)N Z336087926 [1,1,0,0,0,0|0,0,2]=4 425 B10R1.4 CCNC1=C(C=CC=C1)C Z104477886 [1,1,0,0,0,0|1,0,1]=4 426 B10R1.4 CCNC1=C(C=CC=C1)F Z286518592 [1,1,0,0,0,0|1,0,1]=4 427 B10R1.4 CCNC1=C(C=CC=C1)I Z4405452872 [1,1,0,0,0,0|1,0,1]=4 428 B10R1.4 CCNC1=C(C=CC=C1)N Z359511482 [1,1,0,0,0,0|1,0,1]=4 429 B10R1.4 CCNC1=C(C=CC=C1)O Z5185414820 [1,1,0,0,0,0|1,0,1]=4 430 B10R1.4 CCOC1=C(C=CC=C1)Br Z153728256 [1,1,0,0,0,0|1,0,1]=4 431 B10R1.4 CCOC1=C(C=CC=C1)I Z406416174 [1,1,0,0,0,0|1,0,1]=4 432 B10R1.4 CCOC1=C(C=CC=C1)N Z104478442 [1,1,0,0,0,0|1,0,1]=4 433 B10R1.4 CCOC1=C(C=CC=C1)O Z104480244 [1,1,0,0,0,0|1,0,1]=4 434 B10R1.4 CCSC1=C(C=CC=C1)Br Z149386616 [1,1,0,0,0,0|1,0,1]=4 435 B10R1.4 CCSC1=C(C=CC=C1)N Z316174690 [1,1,0,0,0,0|1,0,1]=4 436 B10R1.4 CCSC1=C(C=CC=C1)O Z905204460 [1,1,0,0,0,0|1,0,1]=4 437 B10R1.4 CNCC1=C(C=CC=C1)C Z56948272 [1,1,0,0,0,0|1,0,1]=4 438 B10R1.4 CNCC1=C(C=CC=C1)Cl Z56955956 [1,1,0,0,0,0|1,0,1]=4 439 B10R1.4 CNCC1=C(C=CC=C1)F Z56953087 [1,1,0,0,0,0|1,0,1]=4 440 B10R1.4 CNCC1=C(C=CC=C1)N Z764242576 [1,1,0,0,0,0|1,0,1]=4 441 B10R1.4 CNCC1=C(C=CC=C1)O Z398513608 [1,1,0,0,0,0|1,0,1]=4 442 B10R1.4 COCC1=C(C=CC=C1)I Z821093342 [1,1,0,0,0,0|1,0,1]=4 443 B10R1.4 COCC1=C(C=CC=C1)O Z821093528 [1,1,0,0,0,0|1,0,1]=4 444 B10R1.4 CSCC1=C(C=CC=C1)N Z732207148 [1,1,0,0,0,0|1,0,1]=4 445 B10R1.4 C[N+]1=C(C=CC=C1)/C=N/O Z57931208 [1,1,0,0,0,0|2,0,0]=4 446 B10R1.4 NC1=C(C=CC=C1)CCO Z3417485770 [1,1,0,0,0,0|0,0,1]=3 447 B10R1.4 NCCC1=C(C=CC=C1)Br Z295382782 [1,1,0,0,0,0|1,0,1]=4 448 B10R1.4 NCCC1=C(C=CC=C1)Cl Z285143744 [1,1,0,0,0,0|1,0,1]=4 449 B10R1.4 NCCC1=C(C=CC=C1)F Z57051087 [1,1,0,0,0,0|1,0,1]=4 450 B10R1.4 NCCC1=C(C=CC=C1)O Z594038184 [1,1,0,0,0,0|1,0,1]=4 451 B10R1.4 O/N=C/C1=C(C=CC=C1)Br Z49568618 [1,1,0,0,0,0|1,0,0]=3 452 B10R1.4 O/N=C/C1=C(C=CC=C1)F Z49568531 [1,1,0,0,0,0|1,0,0]=3 453 B10R1.4 O/N=C/C1=C(C=CC=C1)O Z49568319 [1,1,0,0,0,0|1,0,0]=3 454 B10R1.4 O/N=C/C1=C(N=CC=C1)Cl Z89270863 [1,1,0,0,0,0|2,0,0]=4 455 B10R1.4 O=C1C=CC=CN1CCO Z234898059 [1,1,0,0,0,0|1,0,1]=4 456 B10R1.4 O=CCC1=C(C=CC=C1)Br Z1183459130 [1,1,0,0,0,0|0,0,2]=4 457 B10R1.4 O=CCC1=C(C=CC=C1)F Z993017796 [1,1,0,0,0,0|0,0,2]=4 458 B10R1.4 OCCC1=C(C=CC=C1)Br Z1183459188 [1,1,0,0,0,0|0,0,1]=3 459 B10R1.4 OCCC1=C(C=CC=C1)F Z397587382 [1,1,0,0,0,0|0,0,1]=3 460 B10R1.10 C=COC1=CC=CC(=C1)C Z1269547004 [1,1,0,0,0,0|1,0,1]=4 461 B10R1.10 CC1=CC(=CC=C1)CCN Z241056516 [1,1,0,0,0,0|1,0,1]=4 462 B10R1.10 CCCC1=CC(=CC=C1)Br Z1541586975 [1,1,0,0,0,0|0,0,2]=4 463 B10R1.10 CCNC1=CC(=CC=C1)Br Z1217910559 [1,1,0,0,0,0|1,0,1]=4 464 B10R1.10 CCNC1=CC(=CC=C1)C Z56785946 [1,1,0,0,0,0|1,0,1]=4 465 B10R1.10 CCNC1=CC(=CC=C1)Cl Z286371690 [1,1,0,0,0,0|1,0,1]=4 466 B10R1.10 CCOC1=CC(=CC=C1)Br Z53833934 [1,1,0,0,0,0|1,0,1]=4 467 B10R1.10 CCOC1=CC(=CC=C1)I Z54181578 [1,1,0,0,0,0|1,0,1]=4 468 B10R1.10 CCSC1=CC(=CC=C1)Br Z1090207966 [1,1,0,0,0,0|1,0,1]=4 469 B10R1.10 CCSC1=CC(=CC=C1)N Z600393424 [1,1,0,0,0,0|1,0,1]=4 470 B10R1.10 CNCC1=CC(=CC=C1)C Z102766992 [1,1,0,0,0,0|1,0,1]=4 471 B10R1.10 CNCC1=CC(=CC=C1)Cl Z56963343 [1,1,0,0,0,0|1,0,1]=4 472 B10R1.10 CNCC1=CC(=CC=C1)F Z56946085 [1,1,0,0,0,0|1,0,1]=4 473 B10R1.10 CNCC1=CC(=CC=C1)I Z3302798080 [1,1,0,0,0,0|1,0,1]=4 474 B10R1.10 CNCC1=CC(=CC=C1)O Z102766970 [1,1,0,0,0,0|1,0,1]=4 475 B10R1.10 COCC1=CC(=CC=C1)N Z285163816 [1,1,0,0,0,0|1,0,1]=4 476 B10R1.10 COCC1=CC(=CC=C1)O Z821093526 [1,1,0,0,0,0|1,0,1]=4 477 B10R1.10 CSCC1=CC(=CC=C1)Br Z17129082 [1,1,0,0,0,0|1,0,1]=4 478 B10R1.10 CSCC1=CC(=CC=C1)N Z732207152 [1,1,0,0,0,0|1,0,1]=4 479 B10R1.10 NC1=CC(=CC=C1)CCO Z1198160776 [1,1,0,0,0,0|0,0,1]=3 480 B10R1.10 NC1=CC(=CC=C1)NC=O Z1203578959 [1,1,0,0,0,0|1,0,1]=4 481 B10R1.10 NC1=NC=CC(=C1)CCO Z1197888440 [1,1,0,0,0,0|1,0,1]=4 482 B10R1.10 NCCC1=CC(=CC=C1)Br Z285143760 [1,1,0,0,0,0|1,0,1]=4 483 B10R1.10 NCCC1=CC(=CC=C1)Cl Z57051063 [1,1,0,0,0,0|1,0,1]=4 484 B10R1.10 NCCC1=CC(=CC=C1)F Z96092963 [1,1,0,0,0,0|1,0,1]=4 485 B10R1.10 NCCC1=CC(=CC=C1)I Z4874662549 [1,1,0,0,0,0|1,0,1]=4 486 B10R1.10 NCCC1=CC(=CC=C1)O Z935140764 [1,1,0,0,0,0|1,0,1]=4 487 B10R1.10 O=CCC1=CC=CC(=C1)Br Z1079442816 [1,1,0,0,0,0|0,0,2]=4 488 B10R1.10 O=CCC1=CC=CC(=C1)Cl Z993017836 [1,1,0,0,0,0|0,0,2]=4 489 B10R1.10 O=CNC1=CC=CC(=C1)O Z56886391 [1,1,0,0,0,0|1,0,1]=4 490 B10R1.10 OCCC1=CC(=CC=C1)Cl Z992289382 [1,1,0,0,0,0|0,0,1]=3 491 B10R1.10 OCCC1=CC(=CC=C1)F Z397587224 [1,1,0,0,0,0|0,0,1]=3 492 B10R1.15 C/N=C(\N)/C1=CN=CC=C1 Z2528328215 [1,1,0,0,0,0|2,0,0]=4 493 B10R1.15 C=C(CN)C1=CC=CC=C1 Z2065464323 [1,1,0,0,0,0|1,0,0]=3 494 B10R1.15 C=CC(O)C1=CC=CC=C1 Z1255438717 [1,1,0,0,0,0|0,0,2]=4 495 B10R1.15 CC(C=O)C1=CC=CC=C1 Z104495674 [1,1,0,0,0,0|0,0,2]=4 496 B10R1.15 CC(CBr)C1=CC=CC=C1 Z756118300 [1,1,0,0,0,0|1,0,1]=4 497 B10R1.15 CCC(=O)C1=CC=CC=C1 Z104473068 [1,1,0,0,0,0|0,0,1]=3 498 B10R1.15 CCC(=O)C1=CC=NC=C1 Z513733916 [1,1,0,0,0,0|1,0,1]=4 499 B10R1.15 CCC(N)C1=CC=CC=C1 Z1262252904 [1,1,0,0,0,0|0,0,2]=4 500 B10R1.15 CCC(O)C1=CC=CC=C1 Z335245178 [1,1,0,0,0,0|0,0,2]=4 501 B10R1.15 CNC(=N)C1=CC=CC=C1 Z2096088186 [1,1,0,0,0,0|1,0,0]=3 502 B10R1.15 CNC(=N)C1=NC=CC=C1 Z2735598147 [1,1,0,0,0,0|2,0,0]=4 503 B10R1.15 CNC(=O)C1=CC=CC=C1 Z32016410 [1,1,0,0,0,0|1,0,0]=3 504 B10R1.15 CNC(=O)C1=NC=CC=C1 Z32016284 [1,1,0,0,0,0|2,0,0]=4 505 B10R1.15 CNC(C)C1=CC=CC=C1 Z85917524 [1,1,0,0,0,0|1,0,1]=4 506 B10R1.15 COC(=O)C1=CC=CC=C1 Z19825577 [1,1,0,0,0,0|1,0,0]=3 507 B10R1.15 COC(=O)C1=CN=CC=C1 Z57036282 [1,1,0,0,0,0|2,0,0]=4 508 B10R1.15 COC(=O)C1=NC=CC=C1 Z19673259 [1,1,0,0,0,0|2,0,0]=4 509 B10R1.15 C[C@H](CN)C1=CC=CC=C1 Z1203578128 [1,1,0,0,0,0|1,0,1]=4 510 B10R1.15 N/C(=N\O)/C1=CC=CC=C1 Z56827052 [1,1,0,0,0,0|1,0,0]=3 511 B10R1.15 N/C(=N\O)/C1=CC=NC=C1 Z220383526 [1,1,0,0,0,0|2,0,0]=4 512 B10R1.15 N/C(=N\O)/C1=CN=CC=C1 Z221503662 [1,1,0,0,0,0|2,0,0]=4 513 B10R1.15 N/C(=N\O)/C1=NC=CC=C1 Z228474568 [1,1,0,0,0,0|2,0,0]=4 514 B10R1.15 NC(CO)C1=CC=CC=C1 Z381674942 [1,1,0,0,0,0|0,0,1]=3 515 B10R1.15 NC(CO)C1=CN=CC=C1 Z2350903961 [1,1,0,0,0,0|1,0,1]=4 516 B10R1.15 NCC(=O)C1=CC=CC=C1 Z600428568 [1,1,0,0,0,0|1,0,0]=3 517 B10R1.15 NCC(=O)C1=CC=NC=C1 Z2677521709 [1,1,0,0,0,0|2,0,0]=4 518 B10R1.15 NCC(N)C1=CC=CC=C1 Z425861034 [1,1,0,0,0,0|1,0,1]=4 519 B10R1.15 NCC(O)C1=CC=CC=C1 Z104476088 [1,1,0,0,0,0|1,0,1]=4 520 B10R1.15 NNC(=O)C1=CC=CC=C1 Z56926669 [1,1,0,0,0,0|2,0,0]=4 521 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 Z1201618614 [1,1,0,0,0,0|0,0,1]=3 522 B10R1.15 N[C@H](CO)C1=CC=CC=C1 Z1101444224 [1,1,0,0,0,0|0,0,1]=3 523 B10R1.15 O=C(CCl)C1=CC=CC=C1 Z57834468 [1,1,0,0,0,0|1,0,0]=3 524 B10R1.15 O=C(CCl)C1=CC=NC=C1 Z1198181039 [1,1,0,0,0,0|2,0,0]=4 525 B10R1.15 O=C(CCl)C1=CN=CC=C1 Z2768198137 [1,1,0,0,0,0|2,0,0]=4 526 B10R1.15 O=C(CCl)C1=NC=CC=C1 Z1205657985 [1,1,0,0,0,0|2,0,0]=4 527 B10R1.15 O=C(CO)C1=CC=CC=C1 Z906206792 [1,1,0,0,0,0|0,0,0]=2 528 B10R1.15 O=C(NO)C1=CC=CC=C1 Z56912029 [1,1,0,0,0,0|1,0,0]=3 529 B10R1.15 O=C(NO)C1=CN=CC=C1 Z59181939 [1,1,0,0,0,0|2,0,0]=4 530 B10R1.15 O=CC(=O)C1=CC=CC=C1 Z1954804411 [1,1,0,0,0,0|0,0,1]=3 531 B10R1.15 OCC(O)C1=CC=NC=C1 Z2736474279 [1,1,0,0,0,0|1,0,1]=4 532 B10R1.15 OCC(O)C1=NC=CC=C1 Z4985119178 [1,1,0,0,0,0|1,0,1]=4 533 B10R1.18 C/[N+](=C/C1=CC=NC=C1)/[O-] Z57107897 [1,1,0,0,0,0|2,0,0]=4 534 B10R1.18 CC(=O)CC1=CC=NC=C1 Z992409812 [1,1,0,0,0,0|1,0,1]=4 535 B10R1.18 CC(=O)NC1=CC=CC=C1 Z27782600 [1,1,0,0,0,0|1,0,0]=3 536 B10R1.18 CC(=O)NC1=CN=CC=C1 Z31791378 [1,1,0,0,0,0|2,0,0]=4 537 B10R1.18 CC(C)CC1=CC=CC=C1 Z104486386 [1,1,0,0,0,0|0,0,2]=4 538 B10R1.18 CC(C)NC1=CC=CC=C1 Z104475020 [1,1,0,0,0,0|1,0,1]=4 539 B10R1.18 CC(C)OC1=CC=CC=C1 Z53833867 [1,1,0,0,0,0|1,0,1]=4 540 B10R1.18 CC(O)CC1=CC=CC=C1 Z513749298 [1,1,0,0,0,0|0,0,1]=3 541 B10R1.18 CC(O)CC1=CC=NC=C1 Z992409872 [1,1,0,0,0,0|1,0,1]=4 542 B10R1.18 CC(O)CC1=NC=CC=C1 Z513750714 [1,1,0,0,0,0|1,0,1]=4 543 B10R1.18 N=C(N)CC1=CC=CC=C1 Z600428462 [1,1,0,0,0,0|1,0,1]=4 544 B10R1.18 NC(=O)CC1=CC=CC=C1 Z33546508 [1,1,0,0,0,0|0,0,2]=4 545 B10R1.18 NC(=O)OC1=CC=CC=C1 Z33547080 [1,1,0,0,0,0|1,0,1]=4 546 B10R1.18 NC(=S)CC1=CC=CC=C1 Z56928578 [1,1,0,0,0,0|0,1,1]=4 547 B10R1.18 NC(=S)NC1=CC=CC=C1 Z57474172 [1,1,0,0,0,0|1,1,0]=4 548 B10R1.18 O=C(O)CC1=CC=NC=C1 Z271099418 [1,1,0,0,0,0|1,0,1]=4 549 B10R1.18 O=C(O)CC1=CN=CC=C1 Z285131558 [1,1,0,0,0,0|1,0,1]=4 550 B10R1.18 O=S(O)CC1=CC=CC=C1 Z3211806022 [1,1,0,0,0,0|1,0,1]=4 551 B10R1.18 OB(O)CC1=CC=CC=C1 Z1147227831 [1,1,0,0,0,0|1,0,1]=4 552 B10R1.29 CC1=C(SC=N1)/C=C/CO Z2607875355 [0,1,0,0,1,0|2,0,0]=4 553 B10R1.66 O=C(O)/C=C/C1=CC=CN1 Z1198166880 [0,1,0,0,1,0|1,0,1]=4 554 B10R1.66 O=C(O)/C=C/C1=CC=CO1 Z2311574202 [0,1,0,0,1,0|1,0,1]=4 555 B10R1.66 O=C(O)/C=C/C1=CC=CS1 Z56855126 [0,1,0,0,1,0|1,0,1]=4 556 B10R1.66 O=C(O)/C=C/C1=CNC=C1 Z1203733427 [0,1,0,0,1,0|1,0,1]=4 557 B10R1.66 O=C(O)/C=C/C1=CSC=C1 Z2417572197 [0,1,0,0,1,0|1,0,1]=4 558 B12R1.1 CC1=CC=C(C=C1)CNCCO Z57328136 [0,2,0,0,0,0|0,0,2]=4 559 B12R1.1 CNC/C=C/C1=CC=C(C=C1)Br Z1834223589 [0,2,0,0,0,0|1,0,0]=3 560 B12R1.1 COCCNC1=CC=C(C=C1)N Z812516870 [0,2,0,0,0,0|1,0,1]=4 561 B12R1.1 COCCOC1=CC=C(C=C1)Br Z167838728 [0,2,0,0,0,0|1,0,1]=4 562 B12R1.1 COCCOC1=CC=C(C=C1)F Z285938284 [0,2,0,0,0,0|1,0,1]=4 563 B12R1.1 COCCOC1=CC=C(C=C1)O Z381414750 [0,2,0,0,0,0|1,0,1]=4 564 B12R1.1 COCCOC1=CC=C(C=C1)S Z1689885585 [0,2,0,0,0,0|1,0,1]=4 565 B12R1.1 COCCSC1=CC=C(C=C1)N Z412014166 [0,2,0,0,0,0|1,0,1]=4 566 B12R1.1 NC1=CC=C(C=C1)CCCCO Z1262622677 [0,2,0,0,0,0|0,0,2]=4 567 B12R1.1 NC1=CC=C(C=C1)COCCO Z332379572 [0,2,0,0,0,0|0,0,2]=4 568 B12R1.1 NC1=CC=C(C=C1)OCCCO Z382707186 [0,2,0,0,0,0|0,0,2]=4 569 B12R1.1 NC1=CC=C(C=C1)SCCCO Z412012390 [0,2,0,0,0,0|0,0,2]=4 570 B12R1.1 NCC/C=C/C1=CC=C(C=C1)Br Z2651620817 [0,2,0,0,0,0|1,0,0]=3 571 B12R1.1 OCCCNC1=CC=C(C=C1)Cl Z104647680 [0,2,0,0,0,0|0,0,2]=4 572 B12R1.1 OCCCOC1=CC=C(C=C1)Br Z425795726 [0,2,0,0,0,0|0,0,2]=4 573 B12R1.1 OCCCOC1=CC=C(C=C1)F Z228585902 [0,2,0,0,0,0|0,0,2]=4 574 B12R1.1 OCCNCC1=CC=C(C=C1)F Z3225797537 [0,2,0,0,0,0|0,0,2]=4 575 B12R1.16 CC1=CC=C(C=C1)C(=O)/C=C/[O-] Z199534162 [0,2,0,0,0,0|0,0,2]=4 576 B12R1.16 CC1=CC=C(C=C1)C(=O)NCO Z56801291 [0,2,0,0,0,0|1,0,0]=3 577 B12R1.16 CCCC(=O)C1=CC=C(C=C1)Cl Z104483624 [0,2,0,0,0,0|1,0,1]=4 578 B12R1.16 CCNC(=O)C1=CC=C(C=C1)I Z30281227 [0,2,0,0,0,0|2,0,0]=4 579 B12R1.16 CCNC(=O)C1=CC=C(C=C1)N Z239124802 [0,2,0,0,0,0|2,0,0]=4 580 B12R1.16 CCNC(=O)C1=CC=C(C=C1)O Z183861716 [0,2,0,0,0,0|2,0,0]=4 581 B12R1.16 CCOC(=O)C1=CC=C(C=C1)N Z54178706 [0,2,0,0,0,0|2,0,0]=4 582 B12R1.16 CCOC(=O)C1=CC=C(C=C1)O Z53833636 [0,2,0,0,0,0|2,0,0]=4 583 B12R1.16 CN(CCO)C1=CC=C(C=C1)F Z905079510 [0,2,0,0,0,0|1,0,1]=4 584 B12R1.16 CN(CCO)C1=CC=C(C=C1)N Z359383966 [0,2,0,0,0,0|1,0,1]=4 585 B12R1.16 N#C/C=C(\Cl)/C1=CC=C(C=C1)F Z56943822 [0,2,0,0,0,0|1,0,1]=4 586 B12R1.16 NC(CCO)C1=CC=C(C=C1)Br Z979743656 [0,2,0,0,0,0|0,0,2]=4 587 B12R1.16 NC(CCO)C1=CC=C(C=C1)F Z979743658 [0,2,0,0,0,0|0,0,2]=4 588 B12R1.16 O=C(/C=C/[O-])C1=CC=C(C=C1)Cl Z56943452 [0,2,0,0,0,0|0,0,2]=4 589 B12R1.16 O=C(CCCl)C1=CC=C(C=C1)F Z104478542 [0,2,0,0,0,0|1,0,1]=4 590 B12R1.16 O=C(NCO)C1=CC=C(C=C1)Cl Z1198154132 [0,2,0,0,0,0|1,0,0]=3 591 B12R1.21 CC(=O)/C=C/C1=CC=C(C=C1)F Z1201619760 [0,2,0,0,0,0|0,0,2]=4 592 B12R1.21 CC(O)CCC1=CC=C(C=C1)O Z57921369 [0,2,0,0,0,0|0,0,2]=4 593 B12R1.21 CC1=CC=C(C=C1)/C=C/C(=O)O Z2942851512 [0,2,0,0,0,0|0,0,1]=3 594 B12R1.21 CC1=CN=C(C=C1)/C=C/C(=O)O Z1816507718 [0,2,0,0,0,0|1,0,1]=4 595 B12R1.21 CC1=NC=C(C=C1)/C=C/C(=O)O Z1815157396 [0,2,0,0,0,0|1,0,1]=4 596 B12R1.21 NC(=O)/C=C/C1=CC=C(C=C1)Br Z33545605 [0,2,0,0,0,0|0,0,2]=4 597 B12R1.21 NC1=CC=C(C=C1)/C=C/C(=O)O Z56762319 [0,2,0,0,0,0|0,0,1]=3 598 B12R1.21 NC1=NC=C(C=C1)/C=C/C(=O)O Z1374884316 [0,2,0,0,0,0|1,0,1]=4 599 B12R1.21 O=C(O)/C=C/C1=CC=C(C=C1)Br Z2237493681 [0,2,0,0,0,0|0,0,1]=3 600 B12R1.21 O=C(O)/C=C/C1=CC=C(C=C1)Cl Z56989206 [0,2,0,0,0,0|0,0,1]=3 601 B12R1.21 O=C(O)/C=C/C1=CC=C(C=C1)F Z2942851074 [0,2,0,0,0,0|0,0,1]=3 602 B12R1.21 O=C(O)/C=C/C1=CC=C(C=C1)O Z56911963 [0,2,0,0,0,0|0,0,1]=3 603 B12R1.21 O=C(O)/C=C/C1=CN=C(C=C1)Cl Z1962225677 [0,2,0,0,0,0|1,0,1]=4 604 B12R1.21 O=C(O)/C=C/C1=CN=C(C=C1)F Z2949503127 [0,2,0,0,0,0|1,0,1]=4 605 B12R1.21 O=[N+]([O-])/C=C/C1=CC=C(C=C1)Cl Z208331660 [0,2,0,0,0,0|1,0,1]=4 606 B12R1.49 C/C(=C\C1=CC=C(C=C1)Cl)/C=O Z1251359146 [0,2,0,0,0,0|0,0,2]=4 607 B12R1.49 CC1=CC=C(C=C1)CC(=O)CCl Z316174762 [0,2,0,0,0,0|1,0,1]=4 608 B12R1.49 CC1=CC=C(C=C1)CC(=O)NO Z90728587 [0,2,0,0,0,0|1,0,1]=4 609 B12R1.49 CC1=CC=C(C=C1)CC(N)CO Z1800620539 [0,2,0,0,0,0|0,0,2]=4 610 B12R1.49 CC1=CC=C(C=C1)NC(=O)CCl Z56862730 [0,2,0,0,0,0|2,0,0]=4 611 B12R1.49 CC1=CC=C(C=C1)NC(=O)CO Z228585410 [0,2,0,0,0,0|1,0,0]=3 612 B12R1.49 CCC(=O)CC1=CC=C(C=C1)Br Z513733694 [0,2,0,0,0,0|1,0,1]=4 613 B12R1.49 CCC(=O)CC1=CC=C(C=C1)C Z513735300 [0,2,0,0,0,0|1,0,1]=4 614 B12R1.49 CCC(=O)NC1=CC=C(C=C1)F Z27805867 [0,2,0,0,0,0|2,0,0]=4 615 B12R1.49 CCC(=O)NC1=CC=C(C=C1)I Z30316420 [0,2,0,0,0,0|2,0,0]=4 616 B12R1.49 CCC(=O)NC1=CC=C(C=C1)N Z432066898 [0,2,0,0,0,0|2,0,0]=4 617 B12R1.49 CCC(=O)NC1=CC=C(C=C1)O Z223656304 [0,2,0,0,0,0|2,0,0]=4 618 B12R1.49 NC(CO)CC1=CC=C(C=C1)Cl Z3244488892 [0,2,0,0,0,0|0,0,2]=4 619 B12R1.49 NC(CO)CC1=CC=C(C=C1)F Z1849004242 [0,2,0,0,0,0|0,0,2]=4 620 B12R1.49 NC(CO)CC1=CC=C(C=C1)I Z1263636488 [0,2,0,0,0,0|0,0,2]=4 621 B12R1.49 NC1=CC=C(C=C1)CC(F)CO Z4580450313 [0,2,0,0,0,0|0,0,2]=4 622 B12R1.49 NCC(=O)CC1=CC=C(C=C1)F Z1889902528 [0,2,0,0,0,0|1,0,1]=4 623 B12R1.49 NCC(=O)NC1=CC=C(C=C1)Br Z594272012 [0,2,0,0,0,0|2,0,0]=4 624 B12R1.49 NCC(=O)NC1=CC=C(C=C1)Cl Z803145238 [0,2,0,0,0,0|2,0,0]=4 625 B12R1.49 NCC(=O)NC1=CC=C(C=C1)N Z2895972079 [0,2,0,0,0,0|2,0,0]=4 626 B12R1.49 NCC(=O)NC1=CC=C(C=C1)O Z1262237164 [0,2,0,0,0,0|2,0,0]=4 627 B12R1.49 N[C@@H](CO)CC1=CC=C(C=C1)O Z295456854 [0,2,0,0,0,0|0,0,2]=4 628 B12R1.49 N[C@H](CO)CC1=CC=C(C=C1)O Z203038576 [0,2,0,0,0,0|0,0,2]=4 629 B12R1.49 O=C(CC1=CC=C(C=C1)Br)NO Z59182179 [0,2,0,0,0,0|1,0,1]=4 630 B12R1.49 O=C(CC1=CC=C(C=C1)Cl)NO Z59182084 [0,2,0,0,0,0|1,0,1]=4 631 B12R1.49 O=C(CC1=CC=C(C=C1)F)NO Z59182031 [0,2,0,0,0,0|1,0,1]=4 632 B12R1.49 O=C(CC1=CC=C(C=C1)O)NO Z135512374 [0,2,0,0,0,0|1,0,1]=4 633 B12R1.49 O=C(CCl)CC1=CC=C(C=C1)Br Z408178414 [0,2,0,0,0,0|1,0,1]=4 634 B12R1.49 O=C(CCl)CC1=CC=C(C=C1)Cl Z316174770 [0,2,0,0,0,0|1,0,1]=4 635 B12R1.49 O=C(CCl)CC1=CC=C(C=C1)F Z316174768 [0,2,0,0,0,0|1,0,1]=4 636 B12R1.49 O=C(CCl)NC1=CC=C(C=C1)Br Z56899212 [0,2,0,0,0,0|2,0,0]=4 637 B12R1.49 O=C(CCl)NC1=CC=C(C=C1)Cl Z56867253 [0,2,0,0,0,0|2,0,0]=4 638 B12R1.49 O=C(CCl)NC1=CC=C(C=C1)F Z56755193 [0,2,0,0,0,0|2,0,0]=4 639 B12R1.49 O=C(CCl)NC1=CC=C(C=C1)I Z56869425 [0,2,0,0,0,0|2,0,0]=4 640 B12R1.49 O=C(CCl)NC1=CC=C(C=C1)O Z166646964 [0,2,0,0,0,0|2,0,0]=4 641 B12R1.49 O=C(CO)CC1=CC=C(C=C1)F Z906206828 [0,2,0,0,0,0|0,0,1]=3 642 B12R1.49 O=C(CO)NC1=CC=C(C=C1)Cl Z228585484 [0,2,0,0,0,0|1,0,0]=3 643 B12R1.69 CC1=C(C=CC(=C1)I)NCCO Z1381509892 [0,2,0,0,0,0|1,0,1]=4 644 B12R1.69 O=C/C=C/C1=C(C=C(C=C1)F)F Z1198173301 [0,2,0,0,0,0|0,0,2]=4 645 B12R1.69 OCCNC1=C(C=C(C=C1)F)F Z335277958 [0,2,0,0,0,0|1,0,1]=4 646 B12R1.69 OCCOC1=C(C=C(C=C1)Br)Br Z149164564 [0,2,0,0,0,0|1,0,1]=4 647 B12R1.69 OCCOC1=C(C=C(C=C1)Br)Cl Z71184687 [0,2,0,0,0,0|1,0,1]=4 648 B12R1.69 OCCOC1=C(C=C(C=C1)Cl)Br Z74088094 [0,2,0,0,0,0|1,0,1]=4 649 B12R1.71 CCC1=CC=C(C=C1)/C=C/CO Z1913661008 [0,2,0,0,0,0|0,0,0]=2 650 B12R1.71 N#CC1=CC=C(C=C1)/C=C/C=O Z2240804591 [0,2,0,0,0,0|0,0,2]=4 651 B12R1.71 N#CC1=CC=C(C=C1)NCCO Z196118762 [0,2,0,0,0,0|1,0,1]=4 652 B12R1.71 N#CC1=CC=C(C=C1)OCCO Z149165452 [0,2,0,0,0,0|1,0,1]=4 653 B12R1.71 NCC1=CC=C(C=C1)OCCO Z1891774500 [0,2,0,0,0,0|1,0,1]=4 654 B12R1.71 NCC1=CC=C(C=C1)SCCO Z4457865489 [0,2,0,0,0,0|1,0,1]=4 655 B12R1.71 O=CC1=CC=C(C=C1)OCCO Z295452566 [0,2,0,0,0,0|1,0,1]=4 656 B12R1.385 CC1=C(C=C(C=C1)SCCO)C Z149235456 [0,2,0,0,0,0|1,0,1]=4 657 B12R1.385 CC1=C(C=CC(=C1)OCCO)N Z335092234 [0,2,0,0,0,0|1,0,1]=4 658 B12R1.385 O=C/C=C/C1=CC(=C(C=C1)Cl)Cl Z1269224361 [0,2,0,0,0,0|0,0,2]=4 659 B12R1.385 O=C/C=C/C1=CC(=C(C=C1)F)F Z1255405037 [0,2,0,0,0,0|0,0,2]=4 660 B12R1.385 OC/C=C/C1=CC(=C(C=C1)Cl)Cl Z1269240197 [0,2,0,0,0,0|0,0,0]=2 661 B12R1.385 OCCCC1=CC(=C(C=C1)Cl)Cl Z993012522 [0,2,0,0,0,0|0,0,2]=4 662 B12R1.385 OCCNC1=CC(=C(C=C1)F)F Z335273086 [0,2,0,0,0,0|1,0,1]=4 663 B12R1.3 CCN(CCO)C1=CC=CC=C1 Z56922120 [0,2,0,0,0,0|1,0,1]=4 664 B12R1.3 CNC(CCO)C1=CC=CC=C1 Z1198162180 [0,2,0,0,0,0|0,0,2]=4 665 B12R1.3 NCC(CCO)C1=CC=CC=C1 Z1198177199 [0,2,0,0,0,0|0,0,2]=4 666 B12R1.17 CCNC(=O)C1=CC(=CC=C1)Cl Z32024415 [0,2,0,0,0,0|2,0,0]=4 667 B12R1.17 CCNC(=O)C1=CC(=CC=C1)N Z90120590 [0,2,0,0,0,0|2,0,0]=4 668 B12R1.17 CCNC(=O)C1=CC(=CC=C1)O Z32024396 [0,2,0,0,0,0|2,0,0]=4 669 B12R1.17 CCOC(=O)C1=CC(=CC=C1)N Z94601364 [0,2,0,0,0,0|2,0,0]=4 670 B12R1.30 C#CCCC(=O)C1=CC=CC=C1 Z406376668 [0,2,0,0,0,0|1,0,1]=4 671 B12R1.30 C#CCNC(=O)C1=CC=CC=C1 Z52404005 [0,2,0,0,0,0|2,0,0]=4 672 B12R1.30 C=CCCC(=O)C1=CC=CC=C1 Z406376458 [0,2,0,0,0,0|1,0,1]=4 673 B12R1.30 CCCOC(=O)C1=CC=CC=C1 Z53835171 [0,2,0,0,0,0|1,0,1]=4 674 B12R1.30 CCN/N=C(\N)/C1=CC=CC=C1 Z56770998 [0,2,0,0,0,0|2,0,0]=4 675 B12R1.30 CCSCC(=O)C1=CC=CC=C1 Z447928014 [0,2,0,0,0,0|1,0,1]=4 676 B12R1.30 CN(CCCO)C1=CC=CC=C1 Z104585644 [0,2,0,0,0,0|0,0,2]=4 677 B12R1.30 COCCC(O)C1=CC=CC=C1 Z818738046 [0,2,0,0,0,0|0,0,2]=4 678 B12R1.30 CSCCC(=O)C1=CC=CC=C1 Z1201679033 [0,2,0,0,0,0|0,1,1]=4 679 B12R1.30 C[C@H](NCCO)C1=CC=CC=C1 Z1079131628 [0,2,0,0,0,0|0,0,2]=4 680 B12R1.30 N#CCCC(=O)C1=CC=CC=C1 Z168884010 [0,2,0,0,0,0|1,0,1]=4 681 B12R1.30 NC(CCCO)C1=CC=CC=C1 Z1245735325 [0,2,0,0,0,0|0,0,2]=4 682 B12R1.30 NCCNC(=O)C1=CC=CC=C1 Z235363051 [0,2,0,0,0,0|1,0,1]=4 683 B12R1.30 O=C(CCCCl)C1=CC=CC=C1 Z104477558 [0,2,0,0,0,0|1,0,1]=4 684 B12R1.30 O=C(NCCO)C1=CC=CC=C1 Z31725250 [0,2,0,0,0,0|0,0,1]=3 685 B12R1.30 O=C(NCCO)C1=CC=NC=C1 Z31725198 [0,2,0,0,0,0|1,0,1]=4 686 B12R1.30 O=C(NCCO)C1=CN=CC=C1 Z31725207 [0,2,0,0,0,0|1,0,1]=4 687 B12R1.30 O=C(OCCCl)C1=CC=CC=C1 Z56928949 [0,2,0,0,0,0|1,0,1]=4 688 B12R1.30 O=C(OCCO)C1=CC=CC=C1 Z228585788 [0,2,0,0,0,0|0,0,1]=3 689 B12R1.34 C/C(=C(/N)\C1=CC=CC=C1)/C#N Z56759567 [0,2,0,0,0,0|1,0,1]=4 690 B12R1.34 CC(C1=CC=CC=C1)C(N)CO Z1262398547 [0,2,0,0,0,0|0,0,2]=4 691 B12R1.34 CC(CO)C(=O)C1=CC=CC=C1 Z1198183441 [0,2,0,0,0,0|0,0,1]=3 692 B12R1.34 CCC(=O)C(=O)C1=CC=CC=C1 Z1251352835 [0,2,0,0,0,0|1,0,0]=3 693 B12R1.34 CCC(=O)N(C)C1=CC=CC=C1 Z58322425 [0,2,0,0,0,0|2,0,0]=4 694 B12R1.34 CN(C(=O)CCl)C1=CC=CC=C1 Z56896212 [0,2,0,0,0,0|2,0,0]=4 695 B12R1.39 CC(C)(CCO)C1=CC=CC=C1 Z1255440195 [0,2,0,0,0,0|0,0,2]=4 696 B12R1.107 C/C(=C\C(=O)O)/C1=CC=CC=C1 Z352748396 [0,2,0,0,0,0|0,0,1]=3 697 B12R1.107 C/C(=C\C(=O)O)/C1=CC=NC=C1 Z352748124 [0,2,0,0,0,0|1,0,1]=4 698 B12R1.107 C/C(=C\C(=O)O)/C1=CN=CC=C1 Z352748104 [0,2,0,0,0,0|1,0,1]=4 699 B12R1.107 CC(C)CC(=O)C1=CC=CC=C1 Z104484314 [0,2,0,0,0,0|1,0,1]=4 700 B12R1.107 CC(N)CC(=O)C1=CC=CC=C1 Z1413780437 [0,2,0,0,0,0|1,0,1]=4 701 B12R1.107 O=C(O)/C=C(\F)/C1=CN=CC=C1 Z4602486084 [0,2,0,0,0,0|1,0,1]=4 702 B12R1.107 O=C(O)/C=C(\I)/C1=CC=CC=C1 Z3379426714 [0,2,0,0,0,0|0,0,1]=3 703 B12R1.107 O=C(O)NC(=O)C1=CC=CC=C1 Z56928966 [0,2,0,0,0,0|1,0,1]=4 704 B12R1.308 CCCC(=O)C1=C(C=CC=C1)Cl Z733415242 [0,2,0,0,0,0|1,0,1]=4 705 B12R1.308 CCNC(=O)C1=C(C=CC=C1)Br Z30281214 [0,2,0,0,0,0|2,0,0]=4 706 B12R1.308 CCNC(=O)C1=C(C=CC=C1)Cl Z32024315 [0,2,0,0,0,0|2,0,0]=4 707 B12R1.308 CCNC(=O)C1=C(C=CC=C1)N Z99599872 [0,2,0,0,0,0|2,0,0]=4 708 B12R1.308 CCNC(=O)C1=C(C=CC=C1)O Z252387016 [0,2,0,0,0,0|2,0,0]=4 709 B12R1.308 CCOC(=O)C1=C(C=CC=C1)O Z53833295 [0,2,0,0,0,0|2,0,0]=4 710 B12R1.308 NC(CCO)C1=C(C=CC=C1)Br Z979743696 [0,2,0,0,0,0|0,0,2]=4 711 B12R1.308 NCCC(=O)C1=C(C=CC=C1)N Z2037273395 [0,2,0,0,0,0|1,0,1]=4 712 B12R1.25 OCCCC1=C(C(=CC=C1)F)F Z3230115688 [0,2,0,0,0,0|0,0,2]=4 713 B12R1.25 OCCNC1=C(C(=CC=C1)Cl)Br Z1837227787 [0,2,0,0,0,0|1,0,1]=4 714 B12R1.121 COC1=C(C=CC=C1)/C=C/C=O Z2573655488 [0,2,0,0,0,0|0,0,2]=4 715 B12R1.121 COC1=C(C=CC=C1)NCCO Z335255666 [0,2,0,0,0,0|1,0,1]=4 716 B12R1.121 NCC1=C(C=CC=C1)OCCO Z335092218 [0,2,0,0,0,0|1,0,1]=4 717 B12R1.125 CC(=O)/C=C/C1=C(C=CC=C1)F Z1217226767 [0,2,0,0,0,0|0,0,2]=4 718 B12R1.125 CC1=C(C=CC=C1)/C=C/C(=O)O Z2417574586 [0,2,0,0,0,0|0,0,1]=3 719 B12R1.125 CC1=C(C=CC=N1)/C=C/C(=O)O Z2235790871 [0,2,0,0,0,0|1,0,1]=4 720 B12R1.125 CC1=C(C=CN=C1)/C=C/C(=O)O Z2235790666 [0,2,0,0,0,0|1,0,1]=4 721 B12R1.125 CC1=C(N=CC=C1)/C=C/C(=O)O Z2327040014 [0,2,0,0,0,0|1,0,1]=4 722 B12R1.125 O=C(O)/C=C/C1=C(C=CC=C1)Br Z2315575361 [0,2,0,0,0,0|0,0,1]=3 723 B12R1.125 O=C(O)/C=C/C1=C(C=CC=C1)Cl Z57264035 [0,2,0,0,0,0|0,0,1]=3 724 B12R1.125 O=C(O)/C=C/C1=C(C=CC=C1)F Z2573655240 [0,2,0,0,0,0|0,0,1]=3 725 B12R1.125 O=C(O)/C=C/C1=C(N=CC=C1)Br Z1269170340 [0,2,0,0,0,0|1,0,1]=4 726 B12R1.125 O=C(O)/C=C/C1=C(N=CC=C1)Cl Z1201624228 [0,2,0,0,0,0|1,0,1]=4 727 B12R1.267 COCCNC1=C(C=CC=C1)N Z359511242 [0,2,0,0,0,0|1,0,1]=4 728 B12R1.267 COCCOC1=C(C=CC=C1)N Z274541842 [0,2,0,0,0,0|1,0,1]=4 729 B12R1.267 NC1=C(C=CC=C1)NCCCO Z390185384 [0,2,0,0,0,0|0,0,2]=4 730 B12R1.267 OCCCOC1=C(C=CC=C1)Br Z149303380 [0,2,0,0,0,0|0,0,2]=4 731 B12R1.267 OCCCOC1=C(C=CC=C1)Cl Z149161814 [0,2,0,0,0,0|0,0,2]=4 732 B12R1.267 OCCNCC1=C(C=CC=C1)Br Z90504623 [0,2,0,0,0,0|0,0,2]=4 733 B12R1.371 CC1=C(C=CC=C1)CC(N)CO Z1198274419 [0,2,0,0,0,0|0,0,2]=4 734 B12R1.371 CC1=C(C=CC=C1)NC(=O)CCl Z56896310 [0,2,0,0,0,0|2,0,0]=4 735 B12R1.371 CC1=C(C=CC=C1)NC(=O)CO Z228585408 [0,2,0,0,0,0|1,0,0]=3 736 B12R1.371 CCC(=O)CC1=C(C=CC=C1)Br Z513735296 [0,2,0,0,0,0|1,0,1]=4 737 B12R1.371 CCC(=O)NC1=C(C=CC=C1)Br Z27784757 [0,2,0,0,0,0|2,0,0]=4 738 B12R1.371 CCC(=O)NC1=C(C=CC=C1)F Z28290312 [0,2,0,0,0,0|2,0,0]=4 739 B12R1.371 CCC(=O)NC1=C(C=CC=C1)O Z68195027 [0,2,0,0,0,0|2,0,0]=4 740 B12R1.371 N/C(=N\O)/CC1=C(C=CC=C1)Cl Z451350216 [0,2,0,0,0,0|1,0,1]=4 741 B12R1.371 NCC(=O)NC1=C(C=CC=C1)Br Z56964583 [0,2,0,0,0,0|2,0,0]=4 742 B12R1.371 NCC(=O)NC1=C(C=CC=C1)F Z1449752250 [0,2,0,0,0,0|2,0,0]=4 743 B12R1.371 O=C(CC1=C(C=CC=C1)Cl)NO Z59182782 [0,2,0,0,0,0|1,0,1]=4 744 B12R1.371 O=C(CCl)CC1=C(C=CC=C1)Br Z408178456 [0,2,0,0,0,0|1,0,1]=4 745 B12R1.371 O=C(CCl)CC1=C(C=CC=C1)Cl Z408178450 [0,2,0,0,0,0|1,0,1]=4 746 B12R1.371 O=C(CCl)CC1=C(C=CC=C1)F Z316174764 [0,2,0,0,0,0|1,0,1]=4 747 B12R1.371 O=C(CCl)NC1=C(C=CC=C1)Br Z56813048 [0,2,0,0,0,0|2,0,0]=4 748 B12R1.371 O=C(CCl)NC1=C(C=CC=C1)Cl Z56821911 [0,2,0,0,0,0|2,0,0]=4 749 B12R1.371 O=C(CCl)NC1=C(C=CC=C1)F Z56869396 [0,2,0,0,0,0|2,0,0]=4 750 B12R1.371 O=C(CCl)NC1=C(C=CC=C1)I Z55992882 [0,2,0,0,0,0|2,0,0]=4 751 B12R1.371 O=C(CCl)NC1=C(C=CC=C1)O Z57764509 [0,2,0,0,0,0|2,0,0]=4 752 B12R1.371 O=C(CO)NC1=C(N=CC=C1)Cl Z198152806 [0,2,0,0,0,0|2,0,0]=4 753 B12R1.374 CC1=CC(=C(C=C1)C)SCCO Z149231480 [0,2,0,0,0,0|1,0,1]=4 754 B12R1.374 NC1=C(C=C(C=C1)F)OCCO Z335092236 [0,2,0,0,0,0|1,0,1]=4 755 B12R1.374 OCCOC1=C(C=CC(=C1)Br)Cl Z428710928 [0,2,0,0,0,0|1,0,1]=4 756 B12R1.374 OCCOC1=C(C=CC(=C1)Br)F Z1607545313 [0,2,0,0,0,0|1,0,1]=4 757 B12R1.374 OCCOC1=C(C=CC(=C1)Cl)Cl Z71189926 [0,2,0,0,0,0|1,0,1]=4 758 B12R1.374 OCCSC1=C(C=CC(=C1)Cl)Cl Z149234422 [0,2,0,0,0,0|1,0,1]=4 759 B12R1.1631 CC1=CC=CC(=C1OCCO)C Z425795494 [0,2,0,0,0,0|1,0,1]=4 760 B12R1.1631 OCCCC1=C(C=CC=C1F)Cl Z992949636 [0,2,0,0,0,0|0,0,2]=4 761 B12R1.28 CC1=CC(=CC=C1)CNCCO Z1836652697 [0,2,0,0,0,0|0,0,2]=4 762 B12R1.28 COCCOC1=CC(=CC=C1)Br Z285938612 [0,2,0,0,0,0|1,0,1]=4 763 B12R1.28 COCCOC1=CC(=CC=C1)N Z285182536 [0,2,0,0,0,0|1,0,1]=4 764 B12R1.28 COCCOC1=CC(=CC=C1)O Z381415582 [0,2,0,0,0,0|1,0,1]=4 765 B12R1.28 OCCCCC1=CC(=CC=C1)Br Z1233226242 [0,2,0,0,0,0|0,0,2]=4 766 B12R1.28 OCCCOC1=CC(=CC=C1)Br Z425795856 [0,2,0,0,0,0|0,0,2]=4 767 B12R1.28 OCCNCC1=CC(=CC=C1)Cl Z1839480752 [0,2,0,0,0,0|0,0,2]=4 768 B12R1.28 OCCNCC1=CC(=CC=C1)F Z1840356205 [0,2,0,0,0,0|0,0,2]=4 769 B12R1.50 CC1=CC(=CC=C1)CC(=O)CCl Z276118998 [0,2,0,0,0,0|1,0,1]=4 770 B12R1.50 CC1=CC(=CC=C1)CC(N)CO Z1801307645 [0,2,0,0,0,0|0,0,2]=4 771 B12R1.50 CC1=CC(=CC=C1)NC(=O)CCl Z56862383 [0,2,0,0,0,0|2,0,0]=4 772 B12R1.50 CC1=CC(=CC=C1)NC(=O)CO Z431952658 [0,2,0,0,0,0|1,0,0]=3 773 B12R1.50 CCC(=O)NC1=CC(=CC=C1)Br Z27788979 [0,2,0,0,0,0|2,0,0]=4 774 B12R1.50 CCC(=O)NC1=CC(=CC=C1)F Z28143170 [0,2,0,0,0,0|2,0,0]=4 775 B12R1.50 CCC(=O)NC1=CC(=CC=C1)N Z57243699 [0,2,0,0,0,0|2,0,0]=4 776 B12R1.50 NC(CO)CC1=CC(=CC=C1)F Z1198222234 [0,2,0,0,0,0|0,0,2]=4 777 B12R1.50 NC1=CC(=CC=C1)NC(=O)CO Z385458324 [0,2,0,0,0,0|1,0,0]=3 778 B12R1.50 NCC(=O)CC1=CC(=CC=C1)Br Z1981870420 [0,2,0,0,0,0|1,0,1]=4 779 B12R1.50 NCC(=O)NC1=CC(=CC=C1)Br Z46280185 [0,2,0,0,0,0|2,0,0]=4 780 B12R1.50 NCC(=O)NC1=CC(=CC=C1)F Z46280394 [0,2,0,0,0,0|2,0,0]=4 781 B12R1.50 O=C(CC1=CC(=CC=C1)F)NO Z59182830 [0,2,0,0,0,0|1,0,1]=4 782 B12R1.50 O=C(CC1=CC(=CC=C1)O)NO Z816010210 [0,2,0,0,0,0|1,0,1]=4 783 B12R1.50 O=C(CCl)CC1=CC(=CC=C1)Br Z408178442 [0,2,0,0,0,0|1,0,1]=4 784 B12R1.50 O=C(CCl)CC1=CC(=CC=C1)Cl Z316174772 [0,2,0,0,0,0|1,0,1]=4 785 B12R1.50 O=C(CCl)CC1=CC=CC(=C1)F Z316174766 [0,2,0,0,0,0|1,0,1]=4 786 B12R1.50 O=C(CCl)NC1=CC(=CC=C1)Br Z56896266 [0,2,0,0,0,0|2,0,0]=4 787 B12R1.50 O=C(CCl)NC1=CC(=CC=C1)Cl Z56869410 [0,2,0,0,0,0|2,0,0]=4 788 B12R1.50 O=C(CCl)NC1=CC(=CC=C1)I Z56824475 [0,2,0,0,0,0|2,0,0]=4 789 B12R1.50 O=C(CCl)NC1=CC=CC(=C1)F Z56889137 [0,2,0,0,0,0|2,0,0]=4 790 B12R1.100 CC1=CC(=CC(=C1)N)OCCO Z1895742255 [0,2,0,0,0,0|1,0,1]=4 791 B12R1.100 O=C/C=C/C1=CC(=CC(=C1)F)F Z1511755198 [0,2,0,0,0,0|0,0,2]=4 792 B12R1.100 OCCNC1=CC(=CC(=C1)Cl)Cl Z335266822 [0,2,0,0,0,0|1,0,1]=4 793 B12R1.226 CC(O)COC1=CC(=CC=C1)F Z854226860 [0,2,0,0,0,0|1,0,1]=4 794 B12R1.226 CC1=CC(=CC=C1)/C=C/C(=O)O Z2942851787 [0,2,0,0,0,0|0,0,1]=3 795 B12R1.226 CC1=CC(=CN=C1)/C=C/C(=O)O Z1473962891 [0,2,0,0,0,0|1,0,1]=4 796 B12R1.226 NC1=CC(=CC=C1)/C=C/C(=O)O Z2942853438 [0,2,0,0,0,0|0,0,1]=3 797 B12R1.226 O=C(O)/C=C/C1=CC(=CC=C1)Br Z2312942093 [0,2,0,0,0,0|0,0,1]=3 798 B12R1.226 O=C(O)/C=C/C1=CC(=CC=C1)Cl Z2573655238 [0,2,0,0,0,0|0,0,1]=3 799 B12R1.226 O=C(O)/C=C/C1=CC(=CC=C1)F Z2935925467 [0,2,0,0,0,0|0,0,1]=3 800 B12R1.226 O=C(O)/C=C/C1=CC(=CC=C1)O Z247613734 [0,2,0,0,0,0|0,0,1]=3 801 B12R1.226 O=C(O)/C=C/C1=CC(=CN=C1)F Z2587702979 [0,2,0,0,0,0|1,0,1]=4 802 B12R1.226 O=C(O)/C=C/C1=CC(=CN=C1)O Z1518653071 [0,2,0,0,0,0|1,0,1]=4 803 B12R1.226 O=C(O)/C=C/C1=CC(=NC=C1)Br Z1269228386 [0,2,0,0,0,0|1,0,1]=4 804 B12R1.226 O=C(O)/C=C/C1=CC(=NC=C1)Cl Z1255503510 [0,2,0,0,0,0|1,0,1]=4 805 B12R1.226 O=C(O)/C=C/C1=CC(=NC=C1)O Z2633787192 [0,2,0,0,0,0|1,0,1]=4 806 B12R1.226 O=C(O)/C=C/C1=NC(=CC=C1)Cl Z1255503511 [0,2,0,0,0,0|1,0,1]=4 807 B12R1.226 O=[N+]([O-])/C=C/C1=CC(=CC=C1)I Z56757676 [0,2,0,0,0,0|1,0,1]=4 808 B12R1.382 COC1=CC(=CC=C1)C#CCO Z539904058 [0,2,0,0,0,0|0,0,2]=4 809 B12R1.382 COC1=CC(=CC=C1)CCCO Z993012490 [0,2,0,0,0,0|0,0,2]=4 810 B12R1.382 O=CC1=CC=CC(=C1)OCCO Z295452940 [0,2,0,0,0,0|1,0,1]=4 811 B12R1.8 CCOCCNC1=CC=CC=C1 Z5256735719 [0,2,0,0,0,0|1,0,1]=4 812 B12R1.8 COCCNCC1=CC=CC=C1 Z56945503 [0,2,0,0,0,0|0,0,2]=4 813 B12R1.8 N#CCC/C=C/C1=CC=CC=C1 Z3300796892 [0,2,0,0,0,0|1,0,0]=3 814 B12R1.8 OCCCCOC1=CC=CC=C1 Z425795850 [0,2,0,0,0,0|0,0,2]=4 815 B12R1.8 OCCCNCC1=CC=CC=C1 Z57079457 [0,2,0,0,0,0|0,0,2]=4 816 B12R1.8 OCCCOCC1=CC=CC=C1 Z1080358454 [0,2,0,0,0,0|0,0,2]=4 817 B12R1.8 OCCCSCC1=CC=CC=C1 Z104944808 [0,2,0,0,0,0|0,0,2]=4 818 B12R1.8 OCCNCCC1=CC=CC=C1 Z90504498 [0,2,0,0,0,0|0,0,2]=4 819 B12R1.27 CC(CO)COC1=CC=CC=C1 Z1255385347 [0,2,0,0,0,0|0,0,2]=4 820 B12R1.27 CC(CO)OCC1=CC=CC=C1 Z1492906786 [0,2,0,0,0,0|0,0,2]=4 821 B12R1.27 CCC(O)CNC1=CC=CC=C1 Z600449702 [0,2,0,0,0,0|1,0,1]=4 822 B12R1.27 COC(=O)/C=C/C1=CC=CC=C1 Z19782655 [0,2,0,0,0,0|0,0,1]=3 823 B12R1.27 COC(=O)/C=C/C1=CC=NC=C1 Z3226989482 [0,2,0,0,0,0|1,0,1]=4 824 B12R1.27 C[C@H](CO)NCC1=CC=CC=C1 Z823499606 [0,2,0,0,0,0|0,0,2]=4 825 B12R1.27 N/C(=N\O)/CCC1=CC=CC=C1 Z285132818 [0,2,0,0,0,0|1,0,1]=4 826 B12R1.27 N/C(=N\O)/COC1=CC=CC=C1 Z104341168 [0,2,0,0,0,0|1,0,1]=4 827 B12R1.27 NCC(=O)CCC1=CC=CC=C1 Z3719299469 [0,2,0,0,0,0|1,0,1]=4 828 B12R1.27 NCC(=O)NCC1=CC=CC=C1 Z398557160 [0,2,0,0,0,0|1,0,1]=4 829 B12R1.27 NCC(=O)OCC1=CC=CC=C1 Z56904671 [0,2,0,0,0,0|1,0,1]=4 830 B12R1.27 NCC(O)COC1=CC=CC=C1 Z271072310 [0,2,0,0,0,0|1,0,1]=4 831 B12R1.27 O=C(CCl)CCC1=CC=CC=C1 Z1255432257 [0,2,0,0,0,0|1,0,1]=4 832 B12R1.27 O=C(CCl)COC1=CC=CC=C1 Z1255416714 [0,2,0,0,0,0|1,0,1]=4 833 B12R1.27 O=C(CCl)NCC1=CC=CC=C1 Z56896328 [0,2,0,0,0,0|1,0,1]=4 834 B12R1.27 O=C(CO)NCC1=CC=CC=C1 Z228585446 [0,2,0,0,0,0|0,0,1]=3 835 B12R1.27 OC[C@H](O)COC1=CC=CC=C1 Z1201626370 [0,2,0,0,0,0|0,0,2]=4 836 B12R1.32 CCCC(=O)CC1=CC=CC=C1 Z513733628 [0,2,0,0,0,0|1,0,1]=4 837 B12R1.32 CCNC(=O)NC1=CC=CC=C1 Z44586347 [0,2,0,0,0,0|2,0,0]=4 838 B12R1.32 CN(CCO)CC1=CC=CC=C1 Z137706074 [0,2,0,0,0,0|0,0,2]=4 839 B12R1.32 CNC/C(=C/C1=CC=CC=C1)/C Z1137726270 [0,2,0,0,0,0|1,0,0]=3 840 B12R1.32 CNCC(=O)NC1=CC=CC=C1 Z380844554 [0,2,0,0,0,0|2,0,0]=4 841 B12R1.32 COCC(=O)CC1=CC=CC=C1 Z447897954 [0,2,0,0,0,0|0,0,1]=3 842 B12R1.32 COCC(=O)NC1=CC=CC=C1 Z31504642 [0,2,0,0,0,0|1,0,0]=3 843 B12R1.32 COCC(N)CC1=CC=CC=C1 Z825742276 [0,2,0,0,0,0|0,0,2]=4 844 B12R1.32 CSCC(=O)NC1=CC=CC=C1 Z27781929 [0,2,0,0,0,0|1,1,0]=4 845 B12R1.32 N#CCC(=O)NC1=CC=CC=C1 Z56813510 [0,2,0,0,0,0|2,0,0]=4 846 B12R1.32 NC(CCO)CC1=CC=CC=C1 Z1992316427 [0,2,0,0,0,0|0,0,2]=4 847 B12R1.32 NCCC(=O)NC1=CC=CC=C1 Z241054028 [0,2,0,0,0,0|1,0,1]=4 848 B12R1.32 O=C(/C=N/O)NC1=CC=CC=C1 Z56871811 [0,2,0,0,0,0|1,0,0]=3 849 B12R1.32 O=C(CCCl)NC1=CC=CC=C1 Z217707130 [0,2,0,0,0,0|1,0,1]=4 850 B12R1.252 CC(O)CNCC1=CC=CC=C1 Z57326978 [0,2,0,0,0,0|0,0,2]=4 851 B12R1.252 O=C(O)/C=C/SC1=CC=CC=C1 Z104378002 [0,2,0,0,0,0|0,0,1]=3 852 B12R1.252 O=C(O)CC#CC1=CC=CC=C1 Z976639296 [0,2,0,0,0,0|0,0,2]=4 853 B12R1.252 O=C(O)CCCC1=CC=CC=C1 Z234895119 [0,2,0,0,0,0|0,0,2]=4 854 B12R1.252 O=C(O)CCNC1=CC=CC=C1 Z56899128 [0,2,0,0,0,0|1,0,1]=4 855 B12R1.252 O=C(O)CCOC1=CC=CC=C1 Z56854475 [0,2,0,0,0,0|1,0,1]=4 856 B12R1.252 O=C(O)CCSC1=CC=CC=C1 Z56821538 [0,2,0,0,0,0|1,0,1]=4 857 B12R1.252 O=C(O)CSCC1=CC=CC=C1 Z19691777 [0,2,0,0,0,0|1,0,1]=4 858 B12R1.43 C/C(=C\C1=CC=CC=C1)/C(=O)O Z2980228149 [0,2,0,0,0,0|0,0,1]=3 859 B12R1.43 C/C(=C\C1=CC=NC=C1)/C(=O)O Z2466682039 [0,2,0,0,0,0|1,0,1]=4 860 B12R1.43 C/C(=C\C1=CN=CC=C1)/C(=O)O Z2467131746 [0,2,0,0,0,0|1,0,1]=4 861 B12R1.43 C/C(=C\C1=NC=CC=C1)/C(=O)O Z2467234655 [0,2,0,0,0,0|1,0,1]=4 862 B12R1.43 CC(C)C(=O)NC1=CC=CC=C1 Z27782614 [0,2,0,0,0,0|2,0,0]=4 863 B12R1.43 CC(Cl)C(=O)CC1=CC=CC=C1 Z558478664 [0,2,0,0,0,0|1,0,1]=4 864 B12R1.43 CC(Cl)C(=O)NC1=CC=CC=C1 Z56921786 [0,2,0,0,0,0|2,0,0]=4 865 B12R1.43 CC(N)C(=O)CC1=CC=CC=C1 Z1262640515 [0,2,0,0,0,0|1,0,1]=4 866 B12R1.43 CC(N)C(=O)NC1=CC=CC=C1 Z1266933914 [0,2,0,0,0,0|2,0,0]=4 867 B12R1.43 CC(O)C(=O)NC1=CC=CC=C1 Z212044362 [0,2,0,0,0,0|1,0,0]=3 868 B12R1.43 O=C(O)/C(=C/C1=CN=CC=C1)/F Z2081677235 [0,2,0,0,0,0|1,0,1]=4 869 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 Z285151774 [0,2,0,0,0,0|0,0,2]=4 870 B12R1.43 O=C(O)C(=O)NC1=CC=CC=C1 Z362848468 [0,2,0,0,0,0|1,0,1]=4 871 B12R1.118 CC/C(=C\C1=CN=CC=C1)/C=O Z2680496861 [0,2,0,0,0,0|2,0,0]=4 872 B12R1.118 CCC(CO)NC1=CC=CC=C1 Z734137648 [0,2,0,0,0,0|1,0,1]=4 873 B12R1.118 COC(CO)CC1=CC=CC=C1 Z1896500221 [0,2,0,0,0,0|0,0,2]=4 874 B12R1.118 N#CC(=CC1=CC=CC=C1)C#N Z44299997 [0,2,0,0,0,0|1,0,1]=4 875 B12R1.118 N#CC(CO)CC1=CC=CC=C1 Z1098915220 [0,2,0,0,0,0|0,0,2]=4 876 B12R1.118 NCC(CO)CC1=CC=CC=C1 Z234896807 [0,2,0,0,0,0|0,0,2]=4 877 B12R1.118 OCC(CO)CC1=CC=CC=C1 Z1255372888 [0,2,0,0,0,0|0,0,2]=4 878 B12R1.891 CC(C)(O)CCC1=CC=CC=C1 Z513713254 [0,2,0,0,0,0|0,0,2]=4 879 B12R1.891 CC(C)(O)COC1=CC=CC=C1 Z600459798 [0,2,0,0,0,0|1,0,1]=4 880 B12R1.891 NS(=O)(=O)/C=C/C1=CC=CC=C1 Z45415579 [0,2,0,0,0,0|1,0,1]=4 881 B12R1.891 O=S(=O)(F)/C=C/C1=CC=CC=C1 Z1999520401 [0,2,0,0,0,0|1,0,1]=4 882 B10R1.30 CC1=C(C=C(C=C1)Br)CO Z1259109160 [0,0,1,1,0,0|1,0,1]=4 883 B10R1.30 CC1=C(C=C(C=C1)N)CO Z1203578809 [0,0,1,1,0,0|1,0,1]=4 884 B10R1.30 CC1=CC(=C(C=C1)Br)CO Z1269153193 [0,0,1,1,0,0|1,0,1]=4 885 B10R1.30 CC1=CC(=C(C=C1)F)CO Z992343034 [0,0,1,1,0,0|1,0,1]=4 886 B10R1.30 CC1=CC(=C(C=C1)I)CO Z1269210139 [0,0,1,1,0,0|1,0,1]=4 887 B10R1.30 CC1=CC(=C(C=C1)N)CO Z1203578305 [0,0,1,1,0,0|1,0,1]=4 888 B10R1.30 NC1=C(C=C(C=C1)Br)CO Z1269160989 [0,0,1,1,0,0|2,0,0]=4 889 B10R1.30 NC1=C(C=C(C=C1)F)CO Z424770278 [0,0,1,1,0,0|2,0,0]=4 890 B10R1.30 NC1=CC(=C(C=C1)Cl)CO Z394691946 [0,0,1,1,0,0|2,0,0]=4 891 B10R1.30 OCC1=C(C=CC(=C1)Br)Cl Z415730034 [0,0,1,1,0,0|2,0,0]=4 892 B10R1.30 OCC1=C(C=CC(=C1)Br)F Z228585288 [0,0,1,1,0,0|2,0,0]=4 893 B10R1.30 OCC1=C(C=CC(=C1)Br)I Z1269238357 [0,0,1,1,0,0|2,0,0]=4 894 B10R1.30 OCC1=C(C=CC(=C1)Br)O Z56969308 [0,0,1,1,0,0|2,0,0]=4 895 B10R1.30 OCC1=C(C=CC(=C1)Cl)Cl Z397587502 [0,0,1,1,0,0|2,0,0]=4 896 B10R1.30 OCC1=C(C=CC(=C1)Cl)I Z1269213471 [0,0,1,1,0,0|2,0,0]=4 897 B10R1.30 OCC1=C(C=CC(=C1)I)Br Z1269159494 [0,0,1,1,0,0|2,0,0]=4 898 B10R1.30 OCC1=C(C=CC(=C1)I)Cl Z1269167258 [0,0,1,1,0,0|2,0,0]=4 899 B10R1.30 OCC1=C(C=CC(=C1)O)Cl Z1198184474 [0,0,1,1,0,0|2,0,0]=4 900 B10R1.172 CCC1=CC(=CC=C1)C=O Z1198218859 [0,0,1,1,0,0|2,0,0]=4 901 B10R1.172 CNC1=CC(=CC=C1)CO Z1082871942 [0,0,1,1,0,0|1,0,1]=4 902 B10R1.172 COC1=CC(=CC=C1)CO Z90121251 [0,0,1,1,0,0|1,0,1]=4 903 B10R1.172 N#CC1=CC=CC(=C1)CO Z335244900 [0,0,1,1,0,0|1,0,1]=4 904 B10R1.172 NCC1=CC(=CC=C1)C=O Z3481427925 [0,0,1,1,0,0|2,0,0]=4 905 B10R1.172 NCC1=CC(=CC=C1)CO Z385458332 [0,0,1,1,0,0|1,0,1]=4 906 B10R1.172 O=CC1=CC=CC(=C1)CBr Z1201623840 [0,0,1,1,0,0|2,0,0]=4 907 B10R1.172 O=CC1=CC=CC(=C1)CCl Z1205658947 [0,0,1,1,0,0|2,0,0]=4 908 B10R1.172 O=CC1=CC=CC(=C1)CF Z1511848007 [0,0,1,1,0,0|2,0,0]=4 909 B10R1.172 O=CC1=CC=CC(=N1)CO Z1255379968 [0,0,1,1,0,0|2,0,0]=4 910 B10R1.172 OCC1=CC=CC(=C1)CO Z1255438429 [0,0,1,1,0,0|1,0,1]=4 911 B10R2.6 C1=CC(=CC=N1)C2CO2 Z1187818726 [1,0,0,1,0,0|1,0,1]=4 912 B10R2.6 C1=CC(=CN=C1)C2CO2 Z1187818722 [1,0,0,1,0,0|1,0,1]=4 913 B10R2.6 C1=CC=C(C=C1)C2CO2 Z104486008 [1,0,0,1,0,0|0,0,1]=3 914 B10R2.6 C1=CC=C(C=C1)[C@@H]2CO2 Z1255356265 [1,0,0,1,0,0|0,0,1]=3 915 B10R2.6 C1=CC=C(C=C1)[C@H]2CO2 Z1255390768 [1,0,0,1,0,0|0,0,1]=3 916 B10R2.6 C1=CN=C(C=C1)C2CO2 Z1187818707 [1,0,0,1,0,0|1,0,1]=4 917 B10R2.7 C1=CC2=C(C=C1)CC=C2 Z104476162 [1,0,0,1,0,0|0,0,0]=2 918 B10R2.7 C1=CC2=C(C=C1)CNC2 Z1263820391 [1,0,0,1,0,0|1,0,1]=4 919 B10R2.7 C1=CC2=C(C=C1)COC2 Z839134770 [1,0,0,1,0,0|1,0,1]=4 920 B10R2.7 C1=CC2=C(C=C1)NC=C2 Z57833933 [1,0,0,1,0,0|1,0,0]=3 921 B10R2.7 C1=CC2=C(C=C1)NC=N2 Z57069879 [1,0,0,1,0,0|2,0,0]=4 922 B10R2.7 C1=CC2=C(C=C1)NCC2 Z104475582 [1,0,0,1,0,0|1,0,1]=4 923 B10R2.7 C1=CC2=C(C=C1)NN=C2 Z276614452 [1,0,0,1,0,0|2,0,0]=4 924 B10R2.7 C1=CC2=C(C=C1)OC=C2 Z56347207 [1,0,0,1,0,0|0,0,0]=2 925 B10R2.7 C1=CC2=C(C=C1)OCC2 Z104505448 [1,0,0,1,0,0|0,0,1]=3 926 B10R2.7 C1=CC2=C(C=C1)ON=C2 Z220335556 [1,0,0,1,0,0|1,0,0]=3 927 B10R2.7 C1=CC2=C(C=C1)SC=C2 Z370711590 [1,0,0,1,0,0|0,1,0]=3 928 B10R2.7 C1=CC2=C(C=C1)SC=N2 Z104472964 [1,0,0,1,0,0|1,1,0]=4 929 B10R2.7 C1=CC2=C(C=CN2)C=N1 Z1079456082 [1,0,0,1,0,0|2,0,0]=4 930 B10R2.7 C1=CC2=C(C=CO2)N=C1 Z2831987589 [1,0,0,1,0,0|1,0,0]=3 931 B10R2.7 C1=CC2=C(C=CS2)C=N1 Z810507710 [1,0,0,1,0,0|1,1,0]=4 932 B10R2.7 C1=CC2=C(C=N1)CCO2 Z1681336163 [1,0,0,1,0,0|1,0,1]=4 933 B10R2.7 C1=CC2=C(C=N1)NC=C2 Z871773918 [1,0,0,1,0,0|2,0,0]=4 934 B10R2.7 C1=CC2=C(N=C1)NC=C2 Z271099378 [1,0,0,1,0,0|2,0,0]=4 935 B10R2.7 C1=CC2=NC=CN2C=C1 Z838912682 [1,0,0,1,0,0|2,0,0]=4 936 B10R2.7 C1=CNC2=CC=NC2=C1 Z1925930568 [1,0,0,1,0,0|2,0,0]=4 937 B10R2.320 NC1CC2=C1C=CC=C2 Z1918018858 [1,0,0,1,0,0|1,0,1]=4 938 B12R2.24 BrC1=CC2=C(C=C1)C=NC=C2 Z1258567795 [0,1,0,1,0,0|2,0,0]=4 939 B12R2.24 BrC1=CC2=C(C=C1)N=CC=C2 Z732220500 [0,1,0,1,0,0|1,0,1]=4 940 B12R2.24 BrC1=CC2=C(C=C1)NCCO2 Z1741976975 [0,1,0,1,0,0|1,0,1]=4 941 B12R2.24 BrC1=CC2=C(C=C1)OCCO2 Z56944508 [0,1,0,1,0,0|1,0,1]=4 942 B12R2.24 BrC1=CC2=C(C=CC=C2)C=C1 Z166622678 [0,1,0,1,0,0|1,0,1]=4 943 B12R2.24 BrC1=CC2=C(C=CC=C2)N=C1 Z337707764 [0,1,0,1,0,0|1,0,1]=4 944 B12R2.24 BrC1=NN=C2C=CC=CC2=C1 Z1269157470 [0,1,0,1,0,0|2,0,0]=4 945 B12R2.24 CC1=CC2=C(C=C1)C=NC=C2 Z1201624992 [0,1,0,1,0,0|2,0,0]=4 946 B12R2.24 CC1=CC2=C(C=C1)N=CC=C2 Z277960616 [0,1,0,1,0,0|1,0,1]=4 947 B12R2.24 CC1=CC2=C(C=C1)NCCO2 Z1203731551 [0,1,0,1,0,0|1,0,1]=4 948 B12R2.24 CC1=CC2=C(C=C1)OCCC2 Z939648534 [0,1,0,1,0,0|0,0,2]=4 949 B12R2.24 CC1=CC2=C(C=CC=C2)C=C1 Z104476894 [0,1,0,1,0,0|1,0,1]=4 950 B12R2.24 CC1=CC2=C(C=CC=C2)N=C1 Z1217215047 [0,1,0,1,0,0|1,0,1]=4 951 B12R2.24 CC1=CC2=C(C=CN=C2)C=C1 Z1198320696 [0,1,0,1,0,0|2,0,0]=4 952 B12R2.24 CC1=NC2=C(C=CC=C2)C=C1 Z56926563 [0,1,0,1,0,0|1,0,1]=4 953 B12R2.24 CC1=NC2=C(C=CC=C2)SC1 Z2895174345 [0,1,0,1,0,0|1,1,0]=4 954 B12R2.24 CC1=NC=C2C=CC=CC2=C1 Z1255419276 [0,1,0,1,0,0|2,0,0]=4 955 B12R2.24 CC1CNC2=C(O1)C=CC=C2 Z1165160777 [0,1,0,1,0,0|1,0,1]=4 956 B12R2.24 CC1COC2=C(N1)C=CC=C2 Z1201621516 [0,1,0,1,0,0|1,0,1]=4 957 B12R2.24 C[N+]1=CC2=C(C=CC=C2)C=C1 Z56791123 [0,1,0,1,0,0|2,0,0]=4 958 B12R2.24 ClC1=CC2=C(C=C1)C=NC=C2 Z1198267117 [0,1,0,1,0,0|2,0,0]=4 959 B12R2.24 ClC1=CC2=C(C=C1)N=CC=C2 Z425469218 [0,1,0,1,0,0|1,0,1]=4 960 B12R2.24 ClC1=CC2=C(C=C1)OCCN2 Z1198179941 [0,1,0,1,0,0|1,0,1]=4 961 B12R2.24 ClC1=CC2=C(C=C1)OCCO2 Z382713970 [0,1,0,1,0,0|1,0,1]=4 962 B12R2.24 ClC1=CC2=C(C=CC=C2)C=C1 Z1255485910 [0,1,0,1,0,0|1,0,1]=4 963 B12R2.24 ClC1=CC2=C(C=CN=C2)C=C1 Z1198150534 [0,1,0,1,0,0|2,0,0]=4 964 B12R2.24 ClC1=NN=C2C=CC=CC2=C1 Z1255399482 [0,1,0,1,0,0|2,0,0]=4 965 B12R2.24 FC1=CC2=C(C=C1)C=NC=C2 Z916823870 [0,1,0,1,0,0|2,0,0]=4 966 B12R2.24 FC1=CC2=C(C=C1)N=CC=C2 Z361878560 [0,1,0,1,0,0|1,0,1]=4 967 B12R2.24 IC1=CC2=C(C=C1)N=CC=C2 Z993990690 [0,1,0,1,0,0|1,0,1]=4 968 B12R2.24 IC1=CC2=C(C=CC=C2)N=C1 Z1172379319 [0,1,0,1,0,0|1,0,1]=4 969 B12R2.24 NC1=CC2=C(C=C1)N=CC=C2 Z255114686 [0,1,0,1,0,0|1,0,1]=4 970 B12R2.24 NC1=CC2=C(C=C1)OCCC2 Z728136682 [0,1,0,1,0,0|0,0,2]=4 971 B12R2.24 NC1=CC2=C(C=C1)OCCO2 Z56893112 [0,1,0,1,0,0|1,0,1]=4 972 B12R2.24 NC1=CC2=C(C=CC=C2)C=C1 Z104494980 [0,1,0,1,0,0|1,0,1]=4 973 B12R2.24 NC1=CC2=C(C=CC=C2)N=C1 Z234895085 [0,1,0,1,0,0|1,0,1]=4 974 B12R2.24 NC1=CC2=C(C=CC=N2)C=C1 Z3069264308 [0,1,0,1,0,0|1,0,1]=4 975 B12R2.24 NC1=NC2=C(C=CC=C2)C=C1 Z56347237 [0,1,0,1,0,0|1,0,1]=4 976 B12R2.24 NC1=NC=C2C=CC=CC2=C1 Z1201619117 [0,1,0,1,0,0|2,0,0]=4 977 B12R2.24 NC1=NN=C2C=CC=CC2=C1 Z1198155761 [0,1,0,1,0,0|2,0,0]=4 978 B12R2.24 NC1COC2=C(C1)C=CC=C2 Z415636540 [0,1,0,1,0,0|0,0,2]=4 979 B12R2.24 O=C1C=C2C=CC=CC2=CN1 Z1203731786 [0,1,0,1,0,0|2,0,0]=4 980 B12R2.24 O=C1C=CC2=C(N1)C=CC=C2 Z57473020 [0,1,0,1,0,0|0,0,2]=4 981 B12R2.24 O=C1C=CC2=C(O1)C=CC=C2 Z57169486 [0,1,0,1,0,0|0,0,1]=3 982 B12R2.24 O=C1CCC2=C(C1)C=CC=C2 Z104495562 [0,1,0,1,0,0|1,0,1]=4 983 B12R2.24 O=C1CCC2=C(N1)C=CC=C2 Z85917566 [0,1,0,1,0,0|2,0,0]=4 984 B12R2.24 O=C1CCC2=C(O1)C=CC=C2 Z586249466 [0,1,0,1,0,0|2,0,0]=4 985 B12R2.24 O=C1CNC2=C(N1)C=CC=C2 Z56990723 [0,1,0,1,0,0|2,0,0]=4 986 B12R2.24 O=C1COC2=C(N1)C=CC=C2 Z56989567 [0,1,0,1,0,0|1,0,0]=3 987 B12R2.24 O=C1COC2=C(N1)C=CC=N2 Z1198157043 [0,1,0,1,0,0|2,0,0]=4 988 B12R2.24 O=C1COC2=C(N1)C=NC=C2 Z1198175968 [0,1,0,1,0,0|2,0,0]=4 989 B12R2.24 O=C1COC2=C(N1)N=CC=C2 Z1255378941 [0,1,0,1,0,0|2,0,0]=4 990 B12R2.24 O=C1CSC2=C(N1)C=CC=C2 Z55120717 [0,1,0,1,0,0|1,1,0]=4 991 B12R2.24 OC1=CC2=C(C=C1)C=NC=C2 Z2753800586 [0,1,0,1,0,0|1,0,1]=4 992 B12R2.24 OC1=CC2=C(C=C1)N=CC=C2 Z759294450 [0,1,0,1,0,0|1,0,1]=4 993 B12R2.24 OC1=CC2=C(C=C1)NCCO2 Z4967332209 [0,1,0,1,0,0|1,0,1]=4 994 B12R2.24 OC1=CC2=C(C=C1)OCCC2 Z1201627010 [0,1,0,1,0,0|0,0,2]=4 995 B12R2.24 OC1=CC2=C(C=C1)OCCN2 Z3234815231 [0,1,0,1,0,0|1,0,1]=4 996 B12R2.24 OC1=CC2=C(C=C1)OCCO2 Z168827500 [0,1,0,1,0,0|1,0,1]=4 997 B12R2.24 OC1=CC2=C(C=CC=C2)C=C1 Z57127515 [0,1,0,1,0,0|0,0,1]=3 998 B12R2.24 OC1=CC2=C(C=CC=C2)N=C1 Z1255419538 [0,1,0,1,0,0|1,0,1]=4 999 B12R2.24 OC1=CC2=C(C=CN=C2)C=C1 Z56928661 [0,1,0,1,0,0|1,0,1]=4 1000 B12R2.24 OC1CCC2=C(C1)C=CC=C2 Z445987178 [0,1,0,1,0,0|0,0,2]=4 1001 B12R2.24 OC1CNC2=C(C1)C=CC=C2 Z1198341064 [0,1,0,1,0,0|1,0,1]=4 1002 B12R2.24 SC1=NC2=C(C=CC=C2)C=C1 Z203045038 [0,1,0,1,0,0|0,1,1]=4 1003 B12R2.132 CN1C=CC2=C1C=C(C=C2)Br Z1269186749 [0,1,0,1,0,0|2,0,0]=4 1004 B12R2.132 CN1C=CC2=C1C=C(C=C2)N Z414315292 [0,1,0,1,0,0|2,0,0]=4 1005 B12R2.132 CN1C=CC2=C1C=C(C=C2)O Z1255447420 [0,1,0,1,0,0|2,0,0]=4 1006 B12R2.132 NC1=CC2=C(C=C1)CCC2O Z1203584428 [0,1,0,1,0,0|0,0,2]=4 1007 B12R2.132 OC1=CC2=C(C=C1)OC=C2O Z1216838816 [0,1,0,1,0,0|1,0,1]=4 1008 B12R2.132 OC1CCC2=C1C=C(C=C2)F Z815114600 [0,1,0,1,0,0|0,0,2]=4 1009 B12R2.294 BrC1=CC=C(C=C1)CC2CO2 Z2523466484 [0,1,0,1,0,0|0,0,2]=4 1010 B12R2.294 FC1=CC=C(C=C1)CC2CO2 Z1495386285 [0,1,0,1,0,0|0,0,2]=4 1011 B12R2.2 C1=CC(=CC=N1)C2=CCNC2 Z1629602704 [0,1,0,1,0,0|2,0,0]=4 1012 B12R2.2 C1=CC(=CC=N1)C2=CN=CO2 Z1201618990 [0,1,0,1,0,0|1,0,1]=4 1013 B12R2.2 C1=CC(=CC=N1)C2=NC=CO2 Z1255488217 [0,1,0,1,0,0|1,0,1]=4 1014 B12R2.2 C1=CC(=CN=C1)C2=CC=NO2 Z1258991048 [0,1,0,1,0,0|1,0,1]=4 1015 B12R2.2 C1=CC(=CN=C1)C2=CCNC2 Z1629602630 [0,1,0,1,0,0|2,0,0]=4 1016 B12R2.2 C1=CC(=CN=C1)C2=NC=CO2 Z1255505025 [0,1,0,1,0,0|1,0,1]=4 1017 B12R2.2 C1=CC=C(C=C1)C2=CC=CN2 Z1198155817 [0,1,0,1,0,0|1,0,1]=4 1018 B12R2.2 C1=CC=C(C=C1)C2=CC=CS2 Z57040506 [0,1,0,1,0,0|0,1,1]=4 1019 B12R2.2 C1=CC=C(C=C1)C2=CC=NN2 Z1224534135 [0,1,0,1,0,0|1,0,1]=4 1020 B12R2.2 C1=CC=C(C=C1)C2=CCNC2 Z1574940564 [0,1,0,1,0,0|1,0,0]=3 1021 B12R2.2 C1=CC=C(C=C1)C2=CN=CO2 Z1201618668 [0,1,0,1,0,0|0,0,1]=3 1022 B12R2.2 C1=CC=C(C=C1)C2=CN=NN2 Z2798585249 [0,1,0,1,0,0|2,0,0]=4 1023 B12R2.2 C1=CC=C(C=C1)C2=CN=NS2 Z1198147414 [0,1,0,1,0,0|1,1,0]=4 1024 B12R2.2 C1=CC=C(C=C1)C2=CNN=C2 Z56940955 [0,1,0,1,0,0|2,0,0]=4 1025 B12R2.2 C1=CC=C(C=C1)C2=NC=CN2 Z104492164 [0,1,0,1,0,0|1,0,1]=4 1026 B12R2.2 C1=CC=C(C=C1)C2=NC=CS2 Z1198153051 [0,1,0,1,0,0|0,1,1]=4 1027 B12R2.2 C1=CC=C(C=C1)C2=NCCC2 Z235344923 [0,1,0,1,0,0|1,0,1]=4 1028 B12R2.2 C1=CC=C(C=C1)C2=NCCN2 Z283858536 [0,1,0,1,0,0|1,0,1]=4 1029 B12R2.2 C1=CC=C(C=C1)C2=NN=CO2 Z55670800 [0,1,0,1,0,0|1,0,1]=4 1030 B12R2.2 C1=CC=C(C=C1)C2=NNC=N2 Z804949032 [0,1,0,1,0,0|2,0,0]=4 1031 B12R2.2 C1=CC=C(C=C1)N2C=CC=C2 Z55669104 [0,1,0,1,0,0|1,0,1]=4 1032 B12R2.2 C1=CC=C(C=C1)N2C=CC=N2 Z188745060 [0,1,0,1,0,0|1,0,1]=4 1033 B12R2.2 C1=CC=C(C=C1)N2C=CN=C2 Z440825046 [0,1,0,1,0,0|2,0,0]=4 1034 B12R2.2 C1=CC=C(C=C1)N2C=CN=N2 Z1198181362 [0,1,0,1,0,0|2,0,0]=4 1035 B12R2.22 OC1CC(C1)C2=CC=CC=C2 Z501748204 [0,1,0,1,0,0|0,0,2]=4 1036 B12R2.22 O[C@H]1C[C@H](C1)C2=CC=CC=C2 Z1504675336 [0,1,0,1,0,0|0,0,2]=4 1037 B12R2.27 OCC1OC1C2=CC=CC=C2 Z1509054538 [0,1,0,1,0,0|0,0,2]=4 1038 B12R2.1081 BrC1=C2C=CC=CC2=CN=C1 Z57474193 [0,1,0,1,0,0|1,0,1]=4 1039 B12R2.1081 BrC1=C2C=CN=CC2=CC=C1 Z57204608 [0,1,0,1,0,0|2,0,0]=4 1040 B12R2.1081 BrC1=C2C=NC=CC2=CC=C1 Z1269224644 [0,1,0,1,0,0|2,0,0]=4 1041 B12R2.1081 BrC1=C2N=CC=CC2=CC=C1 Z839152792 [0,1,0,1,0,0|1,0,1]=4 1042 B12R2.1081 BrC1=C2NCCOC2=CC=C1 Z2943434775 [0,1,0,1,0,0|1,0,1]=4 1043 B12R2.1081 BrC1=C2OCCCC2=CC=C1 Z1269242001 [0,1,0,1,0,0|0,0,2]=4 1044 B12R2.1081 BrC1=C2OCCNC2=CC=C1 Z1983132695 [0,1,0,1,0,0|1,0,1]=4 1045 B12R2.1081 CC1=C2C=CC=CC2=CC=C1 Z104475342 [0,1,0,1,0,0|1,0,1]=4 1046 B12R2.1081 CC1=C2C=CC=CC2=CC=N1 Z1255415440 [0,1,0,1,0,0|1,0,1]=4 1047 B12R2.1081 CC1=C2C=CC=CC2=NC=C1 Z104472668 [0,1,0,1,0,0|1,0,1]=4 1048 B12R2.1081 ClC1=C2C=CC=CC2=CC=C1 Z104504716 [0,1,0,1,0,0|1,0,1]=4 1049 B12R2.1081 ClC1=C2C=CC=CC2=NC=C1 Z431511604 [0,1,0,1,0,0|1,0,1]=4 1050 B12R2.1081 ClC1=C2C=CN=CC2=CC=C1 Z1255446597 [0,1,0,1,0,0|2,0,0]=4 1051 B12R2.1081 ClC1=C2C=NC=CC2=CC=C1 Z1201624136 [0,1,0,1,0,0|2,0,0]=4 1052 B12R2.1081 ClC1=C2N=CC=CC2=CC=C1 Z362567890 [0,1,0,1,0,0|1,0,1]=4 1053 B12R2.1081 ClC1=C2OCCNC2=CC=C1 Z1255446801 [0,1,0,1,0,0|1,0,1]=4 1054 B12R2.1081 FC1=C2C=CC=CC2=CC=C1 Z1162445957 [0,1,0,1,0,0|1,0,1]=4 1055 B12R2.1081 FC1=C2C=NC=CC2=CC=C1 Z916812496 [0,1,0,1,0,0|2,0,0]=4 1056 B12R2.1081 FC1=C2N=CC=CC2=CC=C1 Z243277338 [0,1,0,1,0,0|1,0,1]=4 1057 B12R2.1081 FC1=C2NCCOC2=CC=C1 Z1255361602 [0,1,0,1,0,0|1,0,1]=4 1058 B12R2.1081 IC1=C2C=CC=NC2=CC=C1 Z381540734 [0,1,0,1,0,0|1,0,1]=4 1059 B12R2.1081 NC1=C2C=CC=CC2=CC=C1 Z57127984 [0,1,0,1,0,0|1,0,1]=4 1060 B12R2.1081 NC1=C2C=CC=CC2=CC=N1 Z1203162487 [0,1,0,1,0,0|1,0,1]=4 1061 B12R2.1081 NC1=C2C=CC=CC2=CN=C1 Z1524694515 [0,1,0,1,0,0|1,0,1]=4 1062 B12R2.1081 NC1=C2C=CC=CC2=NC=C1 Z381037214 [0,1,0,1,0,0|1,0,1]=4 1063 B12R2.1081 NC1=C2C=CC=NC2=CC=C1 Z56919160 [0,1,0,1,0,0|1,0,1]=4 1064 B12R2.1081 NC1=C2C=CN=CC2=CC=C1 Z104472972 [0,1,0,1,0,0|2,0,0]=4 1065 B12R2.1081 NC1=C2C=NC=CC2=CC=C1 Z1201619572 [0,1,0,1,0,0|2,0,0]=4 1066 B12R2.1081 NC1=C2N=CC=CC2=CC=C1 Z57032752 [0,1,0,1,0,0|1,0,1]=4 1067 B12R2.1081 NC1=C2OCCCC2=CC=C1 Z1723491871 [0,1,0,1,0,0|0,0,2]=4 1068 B12R2.1081 NC1=C2OCCOC2=CC=C1 Z440625166 [0,1,0,1,0,0|1,0,1]=4 1069 B12R2.1081 NC1CCOC2=C1C=CC=C2 Z85923435 [0,1,0,1,0,0|0,0,2]=4 1070 B12R2.1081 N[C@H]1CCOC2=C1C=CC=C2 Z1442208747 [0,1,0,1,0,0|0,0,2]=4 1071 B12R2.1081 N[N+]1=C2C=CC=CC2=CC=C1 Z56760714 [0,1,0,1,0,0|1,0,1]=4 1072 B12R2.1081 O=C1C=COC2=C1C=CC=C2 Z1218937140 [0,1,0,1,0,0|0,0,1]=3 1073 B12R2.1081 O=C1CCCC2=C1C=CC=C2 Z104477014 [0,1,0,1,0,0|1,0,1]=4 1074 B12R2.1081 O=C1CCNC2=C1C=CC=C2 Z1492781321 [0,1,0,1,0,0|1,0,1]=4 1075 B12R2.1081 O=C1CCOC2=C1C=CC=C2 Z85920466 [0,1,0,1,0,0|0,0,1]=3 1076 B12R2.1081 O=C1CCOC2=C1C=CC=N2 Z1198233082 [0,1,0,1,0,0|1,0,1]=4 1077 B12R2.1081 O=C1CCSC2=C1C=CC=C2 Z56914832 [0,1,0,1,0,0|0,1,1]=4 1078 B12R2.1081 O=C1NC=CC2=C1C=CC=C2 Z56960237 [0,1,0,1,0,0|0,0,2]=4 1079 B12R2.1081 O=C1NCCC2=C1C=CC=C2 Z56801375 [0,1,0,1,0,0|2,0,0]=4 1080 B12R2.1081 O=C1OC=CC2=C1C=CC=C2 Z1198175817 [0,1,0,1,0,0|0,0,2]=4 1081 B12R2.1081 OC1=C2C=CC=CC2=CC=C1 Z104474036 [0,1,0,1,0,0|0,0,1]=3 1082 B12R2.1081 OC1=C2C=CC=CC2=CN=C1 Z1198152661 [0,1,0,1,0,0|0,0,1]=3 1083 B12R2.1081 OC1=C2C=CC=CC2=NC=C1 Z818727120 [0,1,0,1,0,0|0,0,1]=3 1084 B12R2.1081 OC1=C2C=CC=CC2=NN=C1 Z104495104 [0,1,0,1,0,0|1,0,1]=4 1085 B12R2.1081 OC1=C2C=CC=NC2=NC=C1 Z1198181777 [0,1,0,1,0,0|1,0,1]=4 1086 B12R2.1081 OC1=C2C=NC=CC2=CC=C1 Z5141131098 [0,1,0,1,0,0|1,0,1]=4 1087 B12R2.1081 OC1=C2C=NC=CC2=NC=C1 Z1335657679 [0,1,0,1,0,0|1,0,1]=4 1088 B12R2.1081 OC1=C2N=CC=CC2=CC=C1 Z56926518 [0,1,0,1,0,0|1,0,1]=4 1089 B12R2.1081 OC1=C2N=CC=CC2=CC=N1 Z1201626988 [0,1,0,1,0,0|1,0,1]=4 1090 B12R2.1081 OC1=C2N=CC=CC2=NC=C1 Z1198152632 [0,1,0,1,0,0|1,0,1]=4 1091 B12R2.1081 OC1=C2OCCCC2=CC=C1 Z1198726643 [0,1,0,1,0,0|0,0,2]=4 1092 B12R2.1081 OC1=C2OCCOC2=CC=C1 Z1069599524 [0,1,0,1,0,0|1,0,1]=4 1093 B12R2.1081 OC1CCCC2=C1C=CC=C2 Z56899171 [0,1,0,1,0,0|0,0,2]=4 1094 B12R2.1081 OC1CCNC2=C1C=CC=C2 Z1198723522 [0,1,0,1,0,0|0,0,2]=4 1095 B12R2.1081 OC1CCOC2=C1C=CC=C2 Z335244980 [0,1,0,1,0,0|0,0,2]=4 1096 B12R2.1081 OC1CCSC2=C1C=CC=C2 Z57085790 [0,1,0,1,0,0|0,0,2]=4 1097 B12R2.1081 OC1COCC2=C1C=CC=C2 Z1255366473 [0,1,0,1,0,0|0,0,2]=4 1098 B12R2.1081 OC1CSCC2=C1C=CC=C2 Z445987402 [0,1,0,1,0,0|0,0,2]=4 1099 B12R2.1081 O[C@@H]1CCOC2=C1C=CC=C2 Z959151866 [0,1,0,1,0,0|0,0,2]=4 1100 B12R2.1081 O[C@@H]1CCSC2=C1C=CC=C2 Z959151622 [0,1,0,1,0,0|0,0,2]=4 1101 B12R2.1081 O[C@H]1CCOC2=C1C=CC=C2 Z959151868 [0,1,0,1,0,0|0,0,2]=4 1102 B12R2.1081 O[C@H]1CCSC2=C1C=CC=C2 Z959151626 [0,1,0,1,0,0|0,0,2]=4 1103 B12R2.1081 S=C1C=CNC2=C1C=CC=C2 Z1258992692 [0,1,0,1,0,0|0,1,1]=4 1104 B12R2.1081 S=C1C=NNC2=C1C=CC=C2 Z126932680 [0,1,0,1,0,0|2,0,0]=4 1105 B12R2.2028 CC1CC(=O)C2=C1C=CC=C2 Z335243948 [0,1,0,1,0,0|1,0,1]=4 1106 B12R2.2028 CN1C=C(C2=C1C=CC=C2)N Z2787455551 [0,1,0,1,0,0|2,0,0]=4 1107 B12R2.2028 N[C@@H]1C[C@@H](C2=C1C=CC=C2)O Z4591105168 [0,1,0,1,0,0|0,0,2]=4 1108 B12R2.2028 O=C1OC(C2=C1C=CC=C2)O Z104507040 [0,1,0,1,0,0|1,0,0]=3 1109 B12R2.2075 CC(C1=CC=CC=C1)C2CO2 Z1020679814 [0,1,0,1,0,0|0,0,2]=4 1110 B12R2.32 CCC1=NC2=C(N1)C=CC=C2 Z55692907 [0,1,0,1,0,0|2,0,0]=4 1111 B12R2.32 ClCC1=CN2C=CC=CC2=N1 Z90661818 [0,1,0,1,0,0|2,0,0]=4 1112 B12R2.32 ClCC1=NC2=C(N1)C=CC=C2 Z56943426 [0,1,0,1,0,0|2,0,0]=4 1113 B12R2.32 N#CC1=CC2=C(N1)C=CC=C2 Z1255419551 [0,1,0,1,0,0|1,0,1]=4 1114 B12R2.32 N#CC1=CC2=C(O1)C=CC=C2 Z381355152 [0,1,0,1,0,0|1,0,1]=4 1115 B12R2.32 NCC1=CC2=C(N1)C=CC=C2 Z2106601624 [0,1,0,1,0,0|1,0,0]=3 1116 B12R2.32 NCC1=CC2=C(N1)C=CN=C2 Z2830496387 [0,1,0,1,0,0|2,0,0]=4 1117 B12R2.32 NCC1=CC2=C(N1)N=CC=C2 Z2310722918 [0,1,0,1,0,0|2,0,0]=4 1118 B12R2.32 NCC1=CC2=C(O1)C=CN=C2 Z2740369894 [0,1,0,1,0,0|2,0,0]=4 1119 B12R2.32 NCC1=CC2=C(S1)C=CC=C2 Z57206121 [0,1,0,1,0,0|1,0,0]=3 1120 B12R2.32 NCC1=CC2=C(S1)C=CC=N2 Z3716577874 [0,1,0,1,0,0|2,0,0]=4 1121 B12R2.32 NCC1=CN2C=CC=CC2=N1 Z90668419 [0,1,0,1,0,0|2,0,0]=4 1122 B12R2.32 NCC1=NC2=C(N1)C=CC=C2 Z104479710 [0,1,0,1,0,0|2,0,0]=4 1123 B12R2.32 NCC1=NC2=C(O1)C=CC=C2 Z2106602610 [0,1,0,1,0,0|2,0,0]=4 1124 B12R2.32 NCC1=NC2=C(S1)C=CC=C2 Z166630948 [0,1,0,1,0,0|2,0,0]=4 1125 B12R2.32 O=CC1=CC2=C(N1)C=CC=C2 Z1203160203 [0,1,0,1,0,0|0,0,2]=4 1126 B12R2.32 O=CC1=CC2=C(O1)C=CC=C2 Z147641868 [0,1,0,1,0,0|0,0,2]=4 1127 B12R2.32 O=CC1=CC2=C(S1)C=CC=C2 Z1741961424 [0,1,0,1,0,0|0,0,2]=4 1128 B12R2.32 OCC1=CC2=C(N1)C=CC=N2 Z1255398720 [0,1,0,1,0,0|1,0,0]=3 1129 B12R2.32 OCC1=CC2=C(O1)C=CC=C2 Z164677912 [0,1,0,1,0,0|0,0,0]=2 1130 B12R2.32 OCC1=CC2=C(O1)C=CN=C2 Z1255452234 [0,1,0,1,0,0|1,0,0]=3 1131 B12R2.32 OCC1=CC2=C(S1)C=CC=C2 Z816841922 [0,1,0,1,0,0|0,0,0]=2 1132 B12R2.32 OCC1=CC2=C(S1)C=CC=N2 Z1216823027 [0,1,0,1,0,0|1,0,0]=3 1133 B12R2.32 OCC1=CC2=C(S1)C=NC=C2 Z1198727572 [0,1,0,1,0,0|1,0,0]=3 1134 B12R2.32 OCC1=CN2C=CC=CC2=N1 Z228586390 [0,1,0,1,0,0|1,0,0]=3 1135 B12R2.32 OCC1=NC2=C(N1)C=CC=C2 Z56791635 [0,1,0,1,0,0|1,0,0]=3 1136 B12R2.32 OCC1=NC2=C(N1)N=CC=C2 Z857667584 [0,1,0,1,0,0|2,0,0]=4 1137 B12R2.32 OCC1=NC2=C(O1)C=CC=C2 Z431953250 [0,1,0,1,0,0|1,0,0]=3 1138 B12R2.32 OCC1=NC2=C(S1)C=CC=C2 Z56899191 [0,1,0,1,0,0|1,0,0]=3 1139 B12R2.32 OCC1=NN2C=CC=CC2=C1 Z3464516042 [0,1,0,1,0,0|1,0,0]=3 1140 B12R2.32 OCC1CC2=C(C1)C=CC=C2 Z1198176601 [0,1,0,1,0,0|0,0,2]=4 1141 B12R2.32 OCC1CC2=C(O1)C=CC=C2 Z397587206 [0,1,0,1,0,0|0,0,2]=4 1142 B12R2.196 OC1CCC2=C(C=CC=C12)Cl Z815114596 [0,1,0,1,0,0|0,0,2]=4 1143 B12R2.225 BrC1=C(C=CC=C1)CC2CO2 Z1269241605 [0,1,0,1,0,0|0,0,2]=4 1144 B12R2.203 CN1C=CC2=C1C(=CC=C2)N Z1203585452 [0,1,0,1,0,0|2,0,0]=4 1145 B12R2.612 CN1C=CC2=C1C=CC(=C2)Br Z274764436 [0,1,0,1,0,0|2,0,0]=4 1146 B12R2.612 CN1C=CC2=C1C=CC(=C2)N Z385461802 [0,1,0,1,0,0|2,0,0]=4 1147 B12R2.612 OC1=CSC2=C1C=CC(=C2)Br Z3300768645 [0,1,0,1,0,0|1,0,1]=4 1148 B12R2.612 OC1CCC2=C1C=CC(=C2)Br Z756050350 [0,1,0,1,0,0|0,0,2]=4 1149 B12R2.612 OC1CCC2=C1C=CC(=C2)F Z1198318486 [0,1,0,1,0,0|0,0,2]=4 1150 B12R2.612 OC1COC2=C1C=CC(=C2)Br Z1362940613 [0,1,0,1,0,0|1,0,1]=4 1151 B12R2.612 OC1COC2=C1C=CC(=C2)Cl Z1362956560 [0,1,0,1,0,0|1,0,1]=4 1152 B12R2.612 OC1CSC2=C1C=CC(=C2)Br Z1862026249 [0,1,0,1,0,0|1,0,1]=4 1153 B12R2.612 O[C@@H]1CCC2=C1C=CC(=C2)Br Z1269146008 [0,1,0,1,0,0|0,0,2]=4 1154 B12R2.612 O[C@@H]1CCC2=C1C=CC(=C2)Cl Z959151848 [0,1,0,1,0,0|0,0,2]=4 1155 B12R2.612 O[C@@H]1CCC2=C1C=CC(=C2)F Z959151860 [0,1,0,1,0,0|0,0,2]=4 1156 B12R2.612 O[C@H]1CCC2=C1C=CC(=C2)Cl Z959151850 [0,1,0,1,0,0|0,0,2]=4 1157 B12R2.612 O[C@H]1CCC2=C1C=CC(=C2)F Z959151856 [0,1,0,1,0,0|0,0,2]=4 1158 B12R2.1286 ClC1=CC(=CC=C1)CC2CO2 Z1495386153 [0,1,0,1,0,0|0,0,2]=4 1159 B12R2.1286 FC1=CC(=CC=C1)CC2CO2 Z1495386186 [0,1,0,1,0,0|0,0,2]=4 1160 B12R2.1 CCC1=CNC2=C1C=CC=C2 Z1198159100 [0,1,0,1,0,0|1,0,0]=3 1161 B12R2.1 CCN1C=NC2=C1C=CC=C2 Z53833304 [0,1,0,1,0,0|2,0,0]=4 1162 B12R2.1 CSC1=CNC2=C1C=CC=C2 Z1262562193 [0,1,0,1,0,0|2,0,0]=4 1163 B12R2.1 ClCC1=CN=C2N1C=CC=C2 Z57033916 [0,1,0,1,0,0|2,0,0]=4 1164 B12R2.1 N#CC1=CNC2=C1C=CC=C2 Z57204989 [0,1,0,1,0,0|1,0,1]=4 1165 B12R2.1 N#CC1=COC2=C1C=CC=C2 Z1188275503 [0,1,0,1,0,0|1,0,1]=4 1166 B12R2.1 NCC1=C2C=CC=CN2C=N1 Z3241265506 [0,1,0,1,0,0|2,0,0]=4 1167 B12R2.1 NCC1=C2C=CC=CN2N=C1 Z2065464373 [0,1,0,1,0,0|2,0,0]=4 1168 B12R2.1 NCC1=CN=C2N1C=CC=C2 Z3234882063 [0,1,0,1,0,0|2,0,0]=4 1169 B12R2.1 NCC1=CSC2=C1C=CC=C2 Z425459986 [0,1,0,1,0,0|1,0,0]=3 1170 B12R2.1 NCC1=CSC2=C1N=CC=C2 Z1618144423 [0,1,0,1,0,0|2,0,0]=4 1171 B12R2.1 NCC1=NC=C2N1C=CC=C2 Z2310702523 [0,1,0,1,0,0|2,0,0]=4 1172 B12R2.1 NCC1=NOC2=C1C=CC=C2 Z1203581810 [0,1,0,1,0,0|2,0,0]=4 1173 B12R2.1 NCC1=NSC2=C1C=CC=C2 Z2456396538 [0,1,0,1,0,0|2,0,0]=4 1174 B12R2.1 O=CC1=CNC2=C1C=CC=C2 Z56785575 [0,1,0,1,0,0|0,0,2]=4 1175 B12R2.1 O=CC1=COC2=C1C=CC=C2 Z1197879644 [0,1,0,1,0,0|0,0,2]=4 1176 B12R2.1 O=CC1=CSC2=C1C=CC=C2 Z199535912 [0,1,0,1,0,0|0,0,2]=4 1177 B12R2.1 OCC1=CN=C2N1C=CC=C2 Z1198235297 [0,1,0,1,0,0|1,0,0]=3 1178 B12R2.1 OCC1=CNC2=C1C=CC=C2 Z85923165 [0,1,0,1,0,0|0,0,0]=2 1179 B12R2.1 OCC1=CNC2=C1C=CN=C2 Z2471603543 [0,1,0,1,0,0|1,0,0]=3 1180 B12R2.1 OCC1=CSC2=C1C=CC=C2 Z385370244 [0,1,0,1,0,0|0,0,0]=2 1181 B12R2.1 OCC1CCC2=C1C=CC=C2 Z1148209594 [0,1,0,1,0,0|0,0,2]=4 1182 B12R2.1 OCC1CNC2=C1C=CC=C2 Z2213893407 [0,1,0,1,0,0|0,0,2]=4 1183 B12R2.1 OCC1CSC2=C1C=CC=C2 Z1316761281 [0,1,0,1,0,0|0,0,2]=4 1184 B12R2.1 OCN1C=NC2=C1C=CC=C2 Z56926682 [0,1,0,1,0,0|1,0,0]=3 1185 B12R2.23 O=C1CCN1C2=CC=CC=C2 Z1198221109 [0,1,0,1,0,0|2,0,0]=4 1186 B12R2.2057 C1=CC=C(C=C1)CCC2CO2 Z1033258586 [0,1,0,1,0,0|0,0,2]=4 1187 B12R2.2057 C1=CC=C(C=C1)OCC2CO2 Z57358969 [0,1,0,1,0,0|0,0,2]=4 1188 B12R2.2057 C1=CC=C(C=C1)SCC2CO2 Z330820010 [0,1,0,1,0,0|0,0,2]=4 1189 B12R2.18 CC1C(=O)NC2=C1C=CC=C2 Z425452744 [0,1,0,1,0,0|2,0,0]=4 1190 B12R2.18 CN1C(=CC2=C1C=CC=C2)N Z3243653956 [0,1,0,1,0,0|2,0,0]=4 1191 B12R2.18 NC1CC2=C(C1O)C=CC=C2 Z1431905060 [0,1,0,1,0,0|0,0,2]=4 1192 B12R2.18 N[C@@H]1CC2=C([C@H]1O)C=CC=C2 Z2307327484 [0,1,0,1,0,0|0,0,2]=4 1193 B12R2.18 O=C1NC2=C(C1O)C=CC=C2 Z335244966 [0,1,0,1,0,0|1,0,0]=3 1194 B12R2.18 O=C1NC2=C(N1O)C=CC=C2 Z1416184382 [0,1,0,1,0,0|2,0,0]=4 1195 B12R2.18 OC1C2=C(C=CC=C2)CC1Br Z104485720 [0,1,0,1,0,0|0,0,2]=4 1196 B12R2.18 OC1C2=C(C=CC=C2)CC1F Z1509011291 [0,1,0,1,0,0|0,0,2]=4 1197 B12R2.2403 CC1(CCC2=C1C=CC=C2)O Z449370928 [0,1,0,1,0,0|0,0,2]=4 1198 B12R2.2403 O=S1(=O)C=CC2=C1C=CC=C2 Z425439028 [0,1,0,1,0,0|1,0,1]=4 1199 B12R3.12 C1=CC2=C(C=C1)C3OC3C2 Z278165226 [0,0,0,2,0,0|0,0,2]=4 1200 B8R1.8 O/N=C/C1=CC=CS1 Z49568302 [1,0,0,0,1,0|2,0,0]=4 1201 B8R1.8 OCCC1=CC=CO1 Z1179944660 [1,0,0,0,1,0|1,0,1]=4 1202 B8R1.8 OCCC1=CC=CS1 Z397587354 [1,0,0,0,1,0|1,0,1]=4 1203 B8R1.8 OCCC1=COC=C1 Z1179944659 [1,0,0,0,1,0|1,0,1]=4 1204 B8R1.8 OCCC1=CSC=C1 Z397587098 [1,0,0,0,1,0|1,0,1]=4