0 B10R1.17 BrCCOC1=CC=CC=C1 Z56950513 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.17 CCCCC1=CC=CC=C1 Z104492496 [0,0,0,0,0,0|2,0,1]=3 2 B10R1.17 CCNCC1=CC=CC=C1 Z57327176 [0,0,0,0,0,0|2,0,1]=3 3 B10R1.17 CCNCC1=CC=NC=C1 Z57327181 [0,0,0,0,0,0|3,0,1]=4 4 B10R1.17 CCNCC1=NC=CC=C1 Z90513146 [0,0,0,0,0,0|3,0,1]=4 5 B10R1.17 CCSCC1=NC=CC=C1 Z1607601848 [0,0,0,0,0,0|2,1,1]=4 6 B10R1.17 CNCCC1=CC=CC=C1 Z445226260 [0,0,0,0,0,0|3,0,0]=3 7 B10R1.17 CNCCC1=CC=NC=C1 Z235580560 [0,0,0,0,0,0|4,0,0]=4 8 B10R1.17 CNCCC1=CN=CC=C1 Z2418466818 [0,0,0,0,0,0|4,0,0]=4 9 B10R1.17 CNCCC1=NC=CC=C1 Z2238930991 [0,0,0,0,0,0|4,0,0]=4 10 B10R1.17 COCCC1=CC=CC=C1 Z104494216 [0,0,0,0,0,0|3,0,0]=3 11 B10R1.17 N#CCCC1=CC=CC=C1 Z104507980 [0,0,0,0,0,0|2,0,1]=3 12 B10R1.17 N#CCNC1=CC=CC=C1 Z56347332 [0,0,0,0,0,0|3,0,1]=4 13 B10R1.17 N#CCOC1=CC=CC=C1 Z53792061 [0,0,0,0,0,0|3,0,1]=4 14 B10R1.17 N#CCSC1=CC=CC=C1 Z19751391 [0,0,0,0,0,0|3,0,1]=4 15 B10R1.17 NC/C=C/C1=CC=CC=C1 Z2953771905 [0,0,0,0,0,0|2,0,2]=4 16 B10R1.17 NCC#CC1=CC=CC=C1 Z227964210 [0,0,0,0,0,0|2,0,2]=4 17 B10R1.17 NCCCC1=CC=CC=C1 Z104478312 [0,0,0,0,0,0|2,0,1]=3 18 B10R1.17 NCCCC1=CN=CC=C1 Z3058301115 [0,0,0,0,0,0|3,0,1]=4 19 B10R1.17 NCCCC1=NC=CC=C1 Z600381818 [0,0,0,0,0,0|3,0,1]=4 20 B10R1.17 NCCOC1=CC=CC=C1 Z355423232 [0,0,0,0,0,0|3,0,1]=4 21 B10R1.17 NCCSC1=CC=CC=C1 Z57970213 [0,0,0,0,0,0|3,0,1]=4 22 B10R1.17 NNCCC1=CC=CC=C1 Z927192062 [0,0,0,0,0,0|3,0,0]=3 23 B10R1.17 O=C/C=C/C1=CC=CC=C1 Z3219847383 [0,0,0,0,0,0|1,0,1]=2 24 B10R1.17 O=C/C=C/C1=CC=NC=C1 Z2417822722 [0,0,0,0,0,0|2,0,1]=3 25 B10R1.17 O=C/C=C/C1=NC=CC=C1 Z1255366309 [0,0,0,0,0,0|2,0,1]=3 26 B10R1.17 O=CC#CC1=CC=CC=C1 Z1255485337 [0,0,0,0,0,0|1,0,1]=2 27 B10R1.17 O=CCCC1=CC=CC=C1 Z87002472 [0,0,0,0,0,0|1,0,0]=1 28 B10R1.17 O=CCCC1=CC=NC=C1 Z1070006438 [0,0,0,0,0,0|2,0,0]=2 29 B10R1.17 O=CCCC1=CN=CC=C1 Z1198276578 [0,0,0,0,0,0|2,0,0]=2 30 B10R1.17 O=CCCC1=NC=CC=C1 Z1079158816 [0,0,0,0,0,0|2,0,0]=2 31 B10R1.17 O=CCOC1=CC=CC=C1 Z854102570 [0,0,0,0,0,0|2,0,0]=2 32 B10R1.17 O=CCOC1=NC=CC=C1 Z1255434510 [0,0,0,0,0,0|3,0,0]=3 33 B10R1.17 O=CNCC1=CC=CC=C1 Z1203730748 [0,0,0,0,0,0|1,0,0]=1 34 B10R1.17 O=CNNC1=CC=CC=C1 Z1198148433 [0,0,0,0,0,0|2,0,0]=2 35 B10R1.17 OC/C=C/C1=CC=CC=C1 Z104473562 [0,0,0,0,0,0|1,0,3]=4 36 B10R1.17 OCCCC1=CC=CC=C1 Z104476660 [0,0,0,0,0,0|1,0,2]=3 37 B10R1.17 OCCCC1=CC=NC=C1 Z104475752 [0,0,0,0,0,0|2,0,2]=4 38 B10R1.17 OCCCC1=CN=CC=C1 Z104479004 [0,0,0,0,0,0|2,0,2]=4 39 B10R1.17 OCCOC1=CC=CC=C1 Z104473570 [0,0,0,0,0,0|2,0,2]=4 40 B10R1.17 OCCSC1=CC=CC=C1 Z149157348 [0,0,0,0,0,0|2,0,2]=4 41 B10R1.17 S=C=NCC1=CC=CC=C1 Z56869309 [0,0,0,0,0,0|1,1,1]=3 42 B9R1.8 CCCC1=CC=CC=C1 Z104479154 [1,0,0,0,0,0|1,0,1]=3 43 B9R1.8 CCCC1=NC=CC=C1 Z1255434741 [1,0,0,0,0,0|2,0,1]=4 44 B9R1.8 CCNC1=CC=CC=C1 Z104472482 [1,0,0,0,0,0|2,0,1]=4 45 B9R1.8 CNCC1=CC=NC=C1 Z57390007 [1,0,0,0,0,0|2,0,1]=4 46 B9R1.8 CNCC1=CN=CC=C1 Z56963341 [1,0,0,0,0,0|2,0,1]=4 47 B9R1.8 CSCC1=CN=CC=C1 Z599631354 [1,0,0,0,0,0|1,1,1]=4 48 B9R1.8 N#CCC1=CN=CC=C1 Z239871646 [1,0,0,0,0,0|2,0,1]=4 49 B9R1.8 N#CCC1=NC=CC=C1 Z104476888 [1,0,0,0,0,0|2,0,1]=4 50 B9R1.8 N#COC1=CC=CC=C1 Z1198165353 [1,0,0,0,0,0|1,0,1]=3 51 B9R1.8 NCCC1=CC=NC=C1 Z241056520 [1,0,0,0,0,0|2,0,1]=4 52 B9R1.8 NCCC1=CN=CC=C1 Z241056524 [1,0,0,0,0,0|2,0,1]=4 53 B9R1.8 NCCC1=NC=CC=C1 Z104478200 [1,0,0,0,0,0|2,0,1]=4 54 B9R1.8 NNCC1=CC=CC=C1 Z56969306 [1,0,0,0,0,0|2,0,0]=3 55 B9R1.8 NNCC1=CN=CC=C1 Z370706826 [1,0,0,0,0,0|3,0,0]=4 56 B9R1.8 NOCC1=CC=CC=C1 Z90668722 [1,0,0,0,0,0|1,0,0]=2 57 B9R1.8 O=CCC1=CC=CC=C1 Z104472146 [1,0,0,0,0,0|0,0,0]=1 58 B9R1.8 OCCC1=CC=CC=C1 Z104473586 [1,0,0,0,0,0|0,0,2]=3 59 B9R1.8 OCCC1=CN=CC=C1 Z992949518 [1,0,0,0,0,0|1,0,2]=4 60 B9R1.8 OCCC1=NC=CC=C1 Z104473592 [1,0,0,0,0,0|1,0,2]=4 61 B9R1.8 S=C=NC1=CC=CC=C1 Z56904678 [1,0,0,0,0,0|1,1,1]=4 62 B11R1.1 C=CCOC1=CC=C(C=C1)O Z381414818 [0,1,0,0,0,0|3,0,0]=4 63 B11R1.1 CC1=CC=C(C=C1)CCCN Z4639316723 [0,1,0,0,0,0|2,0,1]=4 64 B11R1.1 CC1=NC=C(C=C1)/C=C/C=O Z1695735078 [0,1,0,0,0,0|2,0,1]=4 65 B11R1.1 CC1=NC=C(C=C1)CCC=O Z1233208116 [0,1,0,0,0,0|2,0,0]=3 66 B11R1.1 CCCCC1=CC=C(C=C1)N Z104475500 [0,1,0,0,0,0|2,0,1]=4 67 B11R1.1 CCNCC1=CC=C(C=C1)F Z3244655509 [0,1,0,0,0,0|2,0,1]=4 68 B11R1.1 CCOCC1=CC=C(C=C1)Br Z823854370 [0,1,0,0,0,0|1,0,1]=3 69 B11R1.1 CCOCC1=CC=C(C=C1)N Z240084570 [0,1,0,0,0,0|1,0,1]=3 70 B11R1.1 CCSCC1=CC=C(C=C1)N Z332378208 [0,1,0,0,0,0|1,1,1]=4 71 B11R1.1 CNCCC1=CC=C(C=C1)Br Z385447024 [0,1,0,0,0,0|3,0,0]=4 72 B11R1.1 CNCCC1=CC=C(C=C1)C Z5115849578 [0,1,0,0,0,0|3,0,0]=4 73 B11R1.1 CNCCC1=CC=C(C=C1)Cl Z1623872266 [0,1,0,0,0,0|3,0,0]=4 74 B11R1.1 CNCCC1=CC=C(C=C1)F Z138454998 [0,1,0,0,0,0|3,0,0]=4 75 B11R1.1 COCCC1=CC=C(C=C1)Br Z299596190 [0,1,0,0,0,0|3,0,0]=4 76 B11R1.1 COCCC1=CC=C(C=C1)Cl Z1470894103 [0,1,0,0,0,0|3,0,0]=4 77 B11R1.1 COCCC1=CC=C(C=C1)O Z104485614 [0,1,0,0,0,0|3,0,0]=4 78 B11R1.1 CSCCC1=CC=C(C=C1)N Z732207426 [0,1,0,0,0,0|3,0,0]=4 79 B11R1.1 FC1=CC=C(C=C1)CN=C=S Z57358375 [0,1,0,0,0,0|1,1,1]=4 80 B11R1.1 N#CCCC1=CC=C(C=C1)N Z4750298565 [0,1,0,0,0,0|2,0,1]=4 81 B11R1.1 NCCCC1=CC=C(C=C1)Br Z3980240042 [0,1,0,0,0,0|2,0,1]=4 82 B11R1.1 NCCCC1=CC=C(C=C1)Cl Z992716848 [0,1,0,0,0,0|2,0,1]=4 83 B11R1.1 NCCCC1=CC=C(C=C1)F Z3244753845 [0,1,0,0,0,0|2,0,1]=4 84 B11R1.1 NCCCC1=CC=C(C=C1)N Z5453008768 [0,1,0,0,0,0|2,0,1]=4 85 B11R1.1 NCCCC1=CC=C(C=C1)O Z1270210797 [0,1,0,0,0,0|2,0,1]=4 86 B11R1.1 O=C/C=C/C1=CC=C(C=C1)Br Z1269187977 [0,1,0,0,0,0|1,0,1]=3 87 B11R1.1 O=C/C=C/C1=CC=C(C=C1)Cl Z2242062296 [0,1,0,0,0,0|1,0,1]=3 88 B11R1.1 O=C/C=C/C1=CC=C(C=C1)F Z2768202189 [0,1,0,0,0,0|1,0,1]=3 89 B11R1.1 O=CCCC1=CC=C(C=C1)Br Z993017756 [0,1,0,0,0,0|1,0,0]=2 90 B11R1.1 O=CCCC1=CC=C(C=C1)Cl Z993017742 [0,1,0,0,0,0|1,0,0]=2 91 B11R1.1 O=CCCC1=CC=C(C=C1)F Z993017748 [0,1,0,0,0,0|1,0,0]=2 92 B11R1.1 O=CCOC1=CC=C(C=C1)F Z854102568 [0,1,0,0,0,0|2,0,0]=3 93 B11R1.1 O=CCSC1=CC=C(C=C1)F Z854102782 [0,1,0,0,0,0|2,0,0]=3 94 B11R1.1 OCCCC1=CC=C(C=C1)F Z992949550 [0,1,0,0,0,0|1,0,2]=4 95 B11R1.16 C#CCC(O)C1=CC=CC=C1 Z932373338 [0,1,0,0,0,0|2,0,1]=4 96 B11R1.16 C/C=C/C(=O)C1=CC=CC=C1 Z2259130553 [0,1,0,0,0,0|2,0,1]=4 97 B11R1.16 C=CCC(N)C1=CC=NC=C1 Z1268152401 [0,1,0,0,0,0|3,0,0]=4 98 B11R1.16 CC(CC#N)C1=CC=CC=C1 Z1251357056 [0,1,0,0,0,0|2,0,1]=4 99 B11R1.16 CC(CC=O)C1=CC=CC=C1 Z57921394 [0,1,0,0,0,0|1,0,0]=2 100 B11R1.16 CC(N=C=S)C1=CC=CC=C1 Z57358351 [0,1,0,0,0,0|1,1,1]=4 101 B11R1.16 CCCC(O)C1=CC=CC=C1 Z335244704 [0,1,0,0,0,0|2,0,1]=4 102 B11R1.16 CCOC(=O)C1=CC=CC=C1 Z53835169 [0,1,0,0,0,0|1,0,2]=4 103 B11R1.16 CNCC(C)C1=CC=CC=C1 Z57797325 [0,1,0,0,0,0|3,0,0]=4 104 B11R1.16 COCC(N)C1=CC=CC=C1 Z271013088 [0,1,0,0,0,0|3,0,0]=4 105 B11R1.16 CSCC(N)C1=CC=CC=C1 Z995116260 [0,1,0,0,0,0|3,0,0]=4 106 B11R1.16 N#CCC(N)C1=CC=CC=C1 Z1415893991 [0,1,0,0,0,0|2,0,1]=4 107 B11R1.16 NC(CCO)C1=CC=CC=C1 Z382816560 [0,1,0,0,0,0|1,0,2]=4 108 B11R1.16 NCCC(O)C1=CC=CC=C1 Z1020673398 [0,1,0,0,0,0|2,0,1]=4 109 B11R1.16 O[C@@H](CCCl)C1=CC=CC=C1 Z1255427232 [0,1,0,0,0,0|2,0,1]=4 110 B11R1.16 O[C@H](CCCl)C1=CC=CC=C1 Z1255356297 [0,1,0,0,0,0|2,0,1]=4 111 B11R1.17 C=CCSC1=C(C=CC=C1)N Z89272864 [0,1,0,0,0,0|3,0,0]=4 112 B11R1.17 CC1=C(C=CC=C1)CCCN Z424782962 [0,1,0,0,0,0|2,0,1]=4 113 B11R1.17 CC1=C(C=CC=C1)CCCO Z979436644 [0,1,0,0,0,0|1,0,2]=4 114 B11R1.17 CC1=C(C=NC=C1)CCC=O Z1270653786 [0,1,0,0,0,0|2,0,0]=3 115 B11R1.17 CCNCC1=C(C=CC=C1)Br Z1982494002 [0,1,0,0,0,0|2,0,1]=4 116 B11R1.17 CCNCC1=C(C=CC=C1)C Z90513218 [0,1,0,0,0,0|2,0,1]=4 117 B11R1.17 CCNCC1=C(C=CC=C1)Cl Z90513164 [0,1,0,0,0,0|2,0,1]=4 118 B11R1.17 CCNCC1=C(C=CC=C1)F Z286282968 [0,1,0,0,0,0|2,0,1]=4 119 B11R1.17 CCNCC1=C(C=CC=C1)N Z2351947311 [0,1,0,0,0,0|2,0,1]=4 120 B11R1.17 CCOCC1=C(C=CC=C1)N Z285163822 [0,1,0,0,0,0|1,0,1]=3 121 B11R1.17 CNCCC1=C(C=CC=C1)C Z2234185664 [0,1,0,0,0,0|3,0,0]=4 122 B11R1.17 CNCCC1=C(C=CC=C1)Cl Z4935566656 [0,1,0,0,0,0|3,0,0]=4 123 B11R1.17 CNCCC1=C(C=CC=C1)F Z163192604 [0,1,0,0,0,0|3,0,0]=4 124 B11R1.17 CNCCC1=C(C=CC=C1)O Z1665033474 [0,1,0,0,0,0|3,0,0]=4 125 B11R1.17 COCCC1=C(C=CC=C1)N Z992259832 [0,1,0,0,0,0|3,0,0]=4 126 B11R1.17 N#CCCC1=C(C=CC=C1)Br Z815260584 [0,1,0,0,0,0|2,0,1]=4 127 B11R1.17 NC1=C(C=CC=C1)CCCO Z1198265858 [0,1,0,0,0,0|1,0,2]=4 128 B11R1.17 NCCCC1=C(C=CC=C1)Cl Z1695729033 [0,1,0,0,0,0|2,0,1]=4 129 B11R1.17 NCCCC1=C(C=CC=C1)F Z424783030 [0,1,0,0,0,0|2,0,1]=4 130 B11R1.17 NNCCC1=C(C=CC=C1)F Z285144176 [0,1,0,0,0,0|3,0,0]=4 131 B11R1.17 O=CCCC1=C(C=CC=C1)F Z993017602 [0,1,0,0,0,0|1,0,0]=2 132 B11R1.17 OCCCC1=C(C=CC=C1)Br Z992949552 [0,1,0,0,0,0|1,0,2]=4 133 B11R1.24 C=CCCC1=CC=CC(=C1)Br Z1269162615 [0,1,0,0,0,0|2,0,0]=3 134 B11R1.24 C=CCOC1=CC=CC(=C1)N Z274779170 [0,1,0,0,0,0|3,0,0]=4 135 B11R1.24 CC1=CC(=CC=C1)CCCN Z4993130622 [0,1,0,0,0,0|2,0,1]=4 136 B11R1.24 CC1=CC(=CC=C1)CCCO Z979436642 [0,1,0,0,0,0|1,0,2]=4 137 B11R1.24 CC1=CC(=CN=C1)CCC=O Z1492427371 [0,1,0,0,0,0|2,0,0]=3 138 B11R1.24 CCNCC1=CC(=CC=C1)Br Z1138763375 [0,1,0,0,0,0|2,0,1]=4 139 B11R1.24 CCNCC1=CC(=CC=C1)C Z90513252 [0,1,0,0,0,0|2,0,1]=4 140 B11R1.24 CCNCC1=CC(=CC=C1)Cl Z90513201 [0,1,0,0,0,0|2,0,1]=4 141 B11R1.24 CCNCC1=CC(=CC=C1)F Z85935746 [0,1,0,0,0,0|2,0,1]=4 142 B11R1.24 CCOCC1=CC(=CC=C1)N Z285163820 [0,1,0,0,0,0|1,0,1]=3 143 B11R1.24 CCSCC1=CC(=CC=C1)N Z332378038 [0,1,0,0,0,0|1,1,1]=4 144 B11R1.24 CNCCC1=CC(=CC=C1)Br Z2168282744 [0,1,0,0,0,0|3,0,0]=4 145 B11R1.24 CNCCC1=CC(=CC=C1)O Z4924737523 [0,1,0,0,0,0|3,0,0]=4 146 B11R1.24 COCCC1=CC(=CC=C1)O Z1513911027 [0,1,0,0,0,0|3,0,0]=4 147 B11R1.24 NC1=CC(=CC=C1)CCCO Z1198265859 [0,1,0,0,0,0|1,0,2]=4 148 B11R1.24 NCCCC1=CC(=CC=C1)Br Z1266823414 [0,1,0,0,0,0|2,0,1]=4 149 B11R1.24 NCCCC1=CC(=CC=C1)Cl Z1262246154 [0,1,0,0,0,0|2,0,1]=4 150 B11R1.24 NCCCC1=CC(=CC=C1)F Z424782946 [0,1,0,0,0,0|2,0,1]=4 151 B11R1.24 NCCCC1=CC(=CC=C1)O Z1895582955 [0,1,0,0,0,0|2,0,1]=4 152 B11R1.24 O=C/C=C/C1=CC=CC(=C1)F Z1198179803 [0,1,0,0,0,0|1,0,1]=3 153 B11R1.24 O=CCCC1=CC=CC(=C1)Cl Z993017744 [0,1,0,0,0,0|1,0,0]=2 154 B11R1.24 O=CCCC1=CC=CC(=C1)F Z993017622 [0,1,0,0,0,0|1,0,0]=2 155 B11R1.24 O=CCCC1=CN=CC(=C1)F Z1233207916 [0,1,0,0,0,0|2,0,0]=3 156 B11R1.28 BrCCCOC1=CC=CC=C1 Z90122132 [0,1,0,0,0,0|2,0,1]=4 157 B11R1.28 C#CCCOC1=CC=CC=C1 Z1143222703 [0,1,0,0,0,0|2,0,1]=4 158 B11R1.28 C#CCNCC1=CC=CC=C1 Z2082999436 [0,1,0,0,0,0|2,0,1]=4 159 B11R1.28 C=CCNCC1=CC=CC=C1 Z86135577 [0,1,0,0,0,0|2,0,0]=3 160 B11R1.28 CCCCCC1=CC=CC=C1 Z199507042 [0,1,0,0,0,0|2,0,1]=4 161 B11R1.28 CCCNCC1=CC=CC=C1 Z56946091 [0,1,0,0,0,0|2,0,1]=4 162 B11R1.28 CCNCCC1=CC=CC=C1 Z444350074 [0,1,0,0,0,0|2,0,1]=4 163 B11R1.28 CCOCCC1=CC=CC=C1 Z1198150519 [0,1,0,0,0,0|1,0,1]=3 164 B11R1.28 CNCCCC1=CC=CC=C1 Z102767020 [0,1,0,0,0,0|2,0,1]=4 165 B11R1.28 CNCCOC1=CC=CC=C1 Z56945505 [0,1,0,0,0,0|3,0,0]=4 166 B11R1.28 COCCNC1=CC=CC=C1 Z266463556 [0,1,0,0,0,0|3,0,0]=4 167 B11R1.28 ClCCCOC1=CC=CC=C1 Z275020186 [0,1,0,0,0,0|2,0,1]=4 168 B11R1.28 ClCCNCC1=CC=CC=C1 Z57158447 [0,1,0,0,0,0|2,0,1]=4 169 B11R1.28 N#CCCNC1=CC=CC=C1 Z56915949 [0,1,0,0,0,0|2,0,1]=4 170 B11R1.28 N#CCCOC1=CC=CC=C1 Z54337114 [0,1,0,0,0,0|2,0,1]=4 171 B11R1.28 N#CCNCC1=CC=CC=C1 Z266079624 [0,1,0,0,0,0|2,0,1]=4 172 B11R1.28 N#CCOCC1=CC=CC=C1 Z295205356 [0,1,0,0,0,0|1,0,1]=3 173 B11R1.28 N#CCSCC1=CC=CC=C1 Z54337756 [0,1,0,0,0,0|1,1,1]=4 174 B11R1.28 NCCCCC1=CC=CC=C1 Z2574929438 [0,1,0,0,0,0|2,0,1]=4 175 B11R1.28 NCCCNC1=CC=CC=C1 Z756919512 [0,1,0,0,0,0|2,0,1]=4 176 B11R1.28 NCCCOC1=CC=CC=C1 Z234895129 [0,1,0,0,0,0|2,0,1]=4 177 B11R1.28 NCCCSC1=CC=CC=C1 Z262222134 [0,1,0,0,0,0|2,0,1]=4 178 B11R1.28 NCCOCC1=CC=CC=C1 Z271005946 [0,1,0,0,0,0|1,0,1]=3 179 B11R1.28 O=CCCCC1=CC=CC=C1 Z993017616 [0,1,0,0,0,0|1,0,0]=2 180 B11R1.28 O=CCOCC1=CC=CC=C1 Z906195396 [0,1,0,0,0,0|0,0,0]=1 181 B11R1.28 O=CCSCC1=CC=CC=C1 Z854102762 [0,1,0,0,0,0|0,1,0]=2 182 B11R1.28 OCCCNC1=CC=CC=C1 Z104584292 [0,1,0,0,0,0|1,0,2]=4 183 B11R1.28 OCCCSC1=CC=CC=C1 Z104650330 [0,1,0,0,0,0|1,0,2]=4 184 B11R1.28 OCCOCC1=CC=CC=C1 Z854223062 [0,1,0,0,0,0|0,0,2]=3 185 B11R1.28 S=C=NCCC1=CC=CC=C1 Z56924472 [0,1,0,0,0,0|1,1,1]=4 186 B11R1.40 C#CC(=O)CC1=CC=CC=C1 Z1266856334 [0,1,0,0,0,0|2,0,1]=4 187 B11R1.40 C#CC(N)CC1=CC=CC=C1 Z4167757719 [0,1,0,0,0,0|2,0,1]=4 188 B11R1.40 C/C(=C\C1=CC=CC=C1)/C=O Z3219847417 [0,1,0,0,0,0|1,0,1]=3 189 B11R1.40 C=CC(=O)NC1=CC=CC=C1 Z440633536 [0,1,0,0,0,0|3,0,0]=4 190 B11R1.40 CC(C=O)CC1=CC=CC=C1 Z1198150055 [0,1,0,0,0,0|1,0,0]=2 191 B11R1.40 CC(CC1=CC=CC=C1)NN Z3033545382 [0,1,0,0,0,0|3,0,0]=4 192 B11R1.40 CCC(N)CC1=CC=CC=C1 Z431980016 [0,1,0,0,0,0|2,0,1]=4 193 B11R1.40 CCC(O)CC1=CC=CC=C1 Z513749284 [0,1,0,0,0,0|2,0,1]=4 194 B11R1.40 CC[C@@H](O)CC1=CC=CC=C1 Z1262397064 [0,1,0,0,0,0|2,0,1]=4 195 B11R1.40 CC[C@H](O)CC1=CC=CC=C1 Z1262397065 [0,1,0,0,0,0|2,0,1]=4 196 B11R1.40 CN(C#N)CC1=CC=CC=C1 Z1255506511 [0,1,0,0,0,0|2,0,1]=4 197 B11R1.40 CN(CC1=CC=CC=C1)N=O Z1198147495 [0,1,0,0,0,0|2,0,0]=3 198 B11R1.40 NC(CO)CC1=CC=CC=C1 Z234898263 [0,1,0,0,0,0|1,0,2]=4 199 B11R1.40 NCC(=O)CC1=CC=CC=C1 Z1569708978 [0,1,0,0,0,0|2,0,1]=4 200 B11R1.40 NCC(F)CC1=CC=CC=C1 Z2740416678 [0,1,0,0,0,0|2,0,1]=4 201 B11R1.40 NCC(N)CC1=CC=CC=C1 Z425861056 [0,1,0,0,0,0|2,0,1]=4 202 B11R1.40 NCC(O)CC1=CC=CC=C1 Z419084966 [0,1,0,0,0,0|2,0,1]=4 203 B11R1.40 NNC(=O)CC1=CC=CC=C1 Z56867310 [0,1,0,0,0,0|3,0,0]=4 204 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 Z1157651018 [0,1,0,0,0,0|1,0,2]=4 205 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 Z1741982891 [0,1,0,0,0,0|1,0,2]=4 206 B11R1.40 O=C(CCl)CC1=CC=CC=C1 Z164706024 [0,1,0,0,0,0|2,0,1]=4 207 B11R1.40 O=C/C(=C/C1=CC=CC=C1)/Br Z2312942099 [0,1,0,0,0,0|1,0,1]=3 208 B11R1.40 O=C/C(=C/C1=CC=CC=C1)/Cl Z104475950 [0,1,0,0,0,0|1,0,1]=3 209 B11R1.91 CC(=O)/C=C/C1=CC=CC=C1 Z2582847786 [0,1,0,0,0,0|1,0,1]=3 210 B11R1.91 CC(=O)/C=C/C1=NC=CC=C1 Z2004564056 [0,1,0,0,0,0|2,0,1]=4 211 B11R1.91 CC(=O)CSC1=CC=CC=C1 Z19751394 [0,1,0,0,0,0|2,0,0]=3 212 B11R1.91 CC(=O)NCC1=CC=CC=C1 Z27749489 [0,1,0,0,0,0|1,0,0]=2 213 B11R1.91 CC(=O)NCC1=NC=CC=C1 Z324553036 [0,1,0,0,0,0|2,0,0]=3 214 B11R1.91 CC(=O)NNC1=CC=CC=C1 Z27767717 [0,1,0,0,0,0|2,0,0]=3 215 B11R1.91 CC(=O)OCC1=CC=CC=C1 Z19628364 [0,1,0,0,0,0|0,0,0]=1 216 B11R1.91 CC(N)CCC1=CC=CC=C1 Z104476462 [0,1,0,0,0,0|2,0,1]=4 217 B11R1.91 CN(C)CCC1=CC=CC=C1 Z168912026 [0,1,0,0,0,0|3,0,0]=4 218 B11R1.91 C[C@H](N)CCC1=CC=CC=C1 Z5044990030 [0,1,0,0,0,0|2,0,1]=4 219 B11R1.91 FC(F)SCC1=CC=CC=C1 Z55626056 [0,1,0,0,0,0|1,1,1]=4 220 B11R1.91 N=C(N)CCC1=CC=CC=C1 Z2092176896 [0,1,0,0,0,0|2,0,0]=3 221 B11R1.91 N=C(N)COC1=CC=CC=C1 Z1532540938 [0,1,0,0,0,0|3,0,0]=4 222 B11R1.91 N=C(N)CSC1=CC=CC=C1 Z1532718998 [0,1,0,0,0,0|3,0,0]=4 223 B11R1.91 N=C(N)NCC1=CC=NC=C1 Z2723680409 [0,1,0,0,0,0|3,0,0]=4 224 B11R1.91 N=C(N)NCC1=NC=CC=C1 Z911465258 [0,1,0,0,0,0|3,0,0]=4 225 B11R1.91 N=C(N)SCC1=CC=CC=C1 Z89242849 [0,1,0,0,0,0|1,1,0]=3 226 B11R1.91 NC(=O)/C=C/C1=CN=CC=C1 Z284112150 [0,1,0,0,0,0|2,0,1]=4 227 B11R1.91 NC(=O)CCC1=CC=CC=C1 Z33546514 [0,1,0,0,0,0|1,0,0]=2 228 B11R1.91 NC(=O)CCC1=CC=NC=C1 Z1095213378 [0,1,0,0,0,0|2,0,0]=3 229 B11R1.91 NC(=O)CNC1=CC=CC=C1 Z104583968 [0,1,0,0,0,0|2,0,0]=3 230 B11R1.91 NC(=O)COC1=CC=CC=C1 Z19735702 [0,1,0,0,0,0|2,0,0]=3 231 B11R1.91 NC(=O)COC1=CN=CC=C1 Z336080090 [0,1,0,0,0,0|3,0,0]=4 232 B11R1.91 NC(=O)CSC1=CC=CC=C1 Z19751390 [0,1,0,0,0,0|2,0,0]=3 233 B11R1.91 NC(=O)CSC1=CC=NC=C1 Z33546963 [0,1,0,0,0,0|3,0,0]=4 234 B11R1.91 NC(=O)NCC1=CC=CC=C1 Z104476310 [0,1,0,0,0,0|1,0,0]=2 235 B11R1.91 NC(=O)NCC1=CC=NC=C1 Z198194796 [0,1,0,0,0,0|2,0,0]=3 236 B11R1.91 NC(=O)NCC1=CN=CC=C1 Z57664442 [0,1,0,0,0,0|2,0,0]=3 237 B11R1.91 NC(=O)NCC1=NC=CC=C1 Z198194794 [0,1,0,0,0,0|2,0,0]=3 238 B11R1.91 NC(=O)OCC1=CC=CC=C1 Z33547079 [0,1,0,0,0,0|0,0,0]=1 239 B11R1.91 NC(=S)CCC1=CC=CC=C1 Z56824950 [0,1,0,0,0,0|1,1,0]=3 240 B11R1.91 NC(=S)COC1=CC=CC=C1 Z108595128 [0,1,0,0,0,0|2,1,0]=4 241 B11R1.91 NC(=S)NCC1=CC=CC=C1 Z56900892 [0,1,0,0,0,0|1,1,0]=3 242 B11R1.91 NC(=S)NNC1=CC=CC=C1 Z104483868 [0,1,0,0,0,0|2,1,0]=4 243 B11R1.91 O=C(O)/C=C/C1=CC=CC=C1 Z104474406 [0,1,0,0,0,0|1,0,1]=3 244 B11R1.91 O=C(O)/C=C/C1=CC=NC=C1 Z2315575398 [0,1,0,0,0,0|2,0,1]=4 245 B11R1.91 O=C(O)/C=C/C1=CN=CC=C1 Z2315575379 [0,1,0,0,0,0|2,0,1]=4 246 B11R1.91 O=C(O)/C=C/C1=NC=CC=C1 Z57069085 [0,1,0,0,0,0|2,0,1]=4 247 B11R1.91 O=C(O)C#CC1=CC=CC=C1 Z271128592 [0,1,0,0,0,0|1,0,1]=3 248 B11R1.91 O=C(O)CCC1=CC=CC=C1 Z57127332 [0,1,0,0,0,0|1,0,0]=2 249 B11R1.91 O=C(O)CCC1=CC=NC=C1 Z317037982 [0,1,0,0,0,0|2,0,0]=3 250 B11R1.91 O=C(O)CCC1=CN=CC=C1 Z89264892 [0,1,0,0,0,0|2,0,0]=3 251 B11R1.91 O=C(O)CCC1=CN=CN=C1 Z1198279878 [0,1,0,0,0,0|3,0,0]=4 252 B11R1.91 O=C(O)CCC1=NC=CC=C1 Z317037998 [0,1,0,0,0,0|2,0,0]=3 253 B11R1.91 O=C(O)CCC1=NC=CC=N1 Z1255372831 [0,1,0,0,0,0|3,0,0]=4 254 B11R1.91 O=C(O)CCC1=NC=CN=C1 Z1198184629 [0,1,0,0,0,0|3,0,0]=4 255 B11R1.91 O=C(O)CCC1=NC=NC=C1 Z1184882132 [0,1,0,0,0,0|3,0,0]=4 256 B11R1.91 O=C(O)CNC1=CC=CC=C1 Z104496210 [0,1,0,0,0,0|2,0,0]=3 257 B11R1.91 O=C(O)CNC1=CC=NC=C1 Z2350906909 [0,1,0,0,0,0|3,0,0]=4 258 B11R1.91 O=C(O)CNC1=CN=CC=C1 Z3058782338 [0,1,0,0,0,0|3,0,0]=4 259 B11R1.91 O=C(O)CNC1=NC=CC=C1 Z2470036492 [0,1,0,0,0,0|3,0,0]=4 260 B11R1.91 O=C(O)COC1=CC=CC=C1 Z57182011 [0,1,0,0,0,0|2,0,0]=3 261 B11R1.91 O=C(O)COC1=CN=CC=C1 Z1171978878 [0,1,0,0,0,0|3,0,0]=4 262 B11R1.91 O=C(O)CSC1=CC=CC=C1 Z104484982 [0,1,0,0,0,0|2,0,0]=3 263 B11R1.91 O=C(O)CSC1=CC=NC=C1 Z104479390 [0,1,0,0,0,0|3,0,0]=4 264 B11R1.91 O=C(O)CSC1=NC=CC=C1 Z31205663 [0,1,0,0,0,0|3,0,0]=4 265 B11R1.91 O=C([O-])COC1=NC=CC=C1 Z2989350877 [0,1,0,0,0,0|3,0,0]=4 266 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 Z995234780 [0,1,0,0,0,0|2,0,0]=3 267 B11R1.91 O=[N+]([O-])CSC1=CC=CC=C1 Z1255375331 [0,1,0,0,0,0|3,0,0]=4 268 B11R1.91 OB(O)CCC1=CC=CC=C1 Z1147227790 [0,1,0,0,0,0|2,0,1]=4 269 B11R2.1 BrC1=NNC2=C1C=CC=C2 Z56791616 [0,0,0,1,0,0|3,0,0]=4 270 B11R2.1 CC1=C2C=CC=CC2=NN1 Z1258992514 [0,0,0,1,0,0|3,0,0]=4 271 B11R2.1 CC1=CNC2=C1C=CC=C2 Z415653134 [0,0,0,1,0,0|3,0,0]=4 272 B11R2.1 CC1=COC2=C1C=CC=C2 Z1203161674 [0,0,0,1,0,0|3,0,0]=4 273 B11R2.1 CC1=NOC2=C1C=CC=C2 Z104341886 [0,0,0,1,0,0|3,0,0]=4 274 B11R2.1 CC1NCC2=C1C=CC=C2 Z1203731964 [0,0,0,1,0,0|2,0,1]=4 275 B11R2.1 ClC1=C2C=CC=CC2=NN1 Z1695729006 [0,0,0,1,0,0|3,0,0]=4 276 B11R2.1 ClC1=C2C=CC=CC2=NS1 Z992921742 [0,0,0,1,0,0|2,1,0]=4 277 B11R2.1 ClC1=CNC2=C1C=CC=C2 Z1020823312 [0,0,0,1,0,0|3,0,0]=4 278 B11R2.1 ClC1=NSC2=C1C=CC=C2 Z57033963 [0,0,0,1,0,0|3,0,0]=4 279 B11R2.1 N=C1NCC2=C1N=CC=C2 Z4310348945 [0,0,0,1,0,0|3,0,0]=4 280 B11R2.1 NC1=C2C=CC=CC2=NS1 Z1198161072 [0,0,0,1,0,0|2,1,0]=4 281 B11R2.1 NC1=NNC2=C1C=CC=C2 Z56820416 [0,0,0,1,0,0|3,0,0]=4 282 B11R2.1 NC1=NOC2=C1C=CC=C2 Z218760918 [0,0,0,1,0,0|3,0,0]=4 283 B11R2.1 NC1=NSC2=C1C=CC=C2 Z56774438 [0,0,0,1,0,0|3,0,0]=4 284 B11R2.1 NC1CCC2=C1C=CC=C2 Z168884748 [0,0,0,1,0,0|2,0,1]=4 285 B11R2.1 N[C@@H]1CCC2=C1C=CC=C2 Z1741972748 [0,0,0,1,0,0|2,0,1]=4 286 B11R2.1 O=C1CCC2=C1C=CC=C2 Z104495974 [0,0,0,1,0,0|1,0,0]=2 287 B11R2.1 O=C1CCC2=C1C=NC=C2 Z1198181243 [0,0,0,1,0,0|2,0,0]=3 288 B11R2.1 O=C1COC2=C1C=CC=C2 Z57101103 [0,0,0,1,0,0|2,0,0]=3 289 B11R2.1 O=C1COC2=C1C=CN=C2 Z1255373514 [0,0,0,1,0,0|3,0,0]=4 290 B11R2.1 O=C1CSC2=C1C=CC=C2 Z1117911699 [0,0,0,1,0,0|2,0,0]=3 291 B11R2.1 O=C1NCC2=C1C=CC=C2 Z362519344 [0,0,0,1,0,0|1,0,0]=2 292 B11R2.1 O=C1NCC2=C1C=CC=N2 Z1203733001 [0,0,0,1,0,0|2,0,0]=3 293 B11R2.1 O=C1NCC2=C1C=CN=C2 Z1255451661 [0,0,0,1,0,0|2,0,0]=3 294 B11R2.1 O=C1NCC2=C1C=NC=C2 Z2758801175 [0,0,0,1,0,0|2,0,0]=3 295 B11R2.1 O=C1NCC2=C1N=CC=C2 Z1255449267 [0,0,0,1,0,0|2,0,0]=3 296 B11R2.1 O=C1NN=C2N1C=CC=C2 Z56987654 [0,0,0,1,0,0|3,0,0]=4 297 B11R2.1 O=C1NNC2=C1C=CC=C2 Z586248764 [0,0,0,1,0,0|2,0,0]=3 298 B11R2.1 O=C1NNC2=C1C=CC=N2 Z381404338 [0,0,0,1,0,0|3,0,0]=4 299 B11R2.1 O=C1NOC2=C1C=CC=C2 Z1592042113 [0,0,0,1,0,0|2,0,0]=3 300 B11R2.1 O=C1NSC2=C1C=CC=C2 Z56983154 [0,0,0,1,0,0|2,0,0]=3 301 B11R2.1 O=C1NSC2=C1C=CC=N2 Z1551930532 [0,0,0,1,0,0|3,0,0]=4 302 B11R2.1 O=C1OCC2=C1C=CC=C2 Z211309000 [0,0,0,1,0,0|0,0,0]=1 303 B11R2.1 O=C1OCC2=C1N=CC=C2 Z1255428832 [0,0,0,1,0,0|1,0,0]=2 304 B11R2.1 O=C1SNC2=C1C=CC=C2 Z992282928 [0,0,0,1,0,0|1,1,0]=3 305 B11R2.1 OB1OCC2=C1C=CC=C2 Z1255356609 [0,0,0,1,0,0|1,0,1]=3 306 B11R2.4 N[C@@H]1C[C@@H]1C2=CC=CC=C2 Z2309888982 [0,0,0,1,0,0|2,0,1]=4 307 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 Z2296167800 [0,0,0,1,0,0|2,0,1]=4 308 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 Z2517097696 [0,0,0,1,0,0|2,0,1]=4 309 B11R2.20 C1=CC2=C(C=C1)C=CC=C2 Z104506008 [0,0,0,1,0,0|2,0,1]=4 310 B11R2.20 C1=CC2=C(C=C1)C=NC=C2 Z104472854 [0,0,0,1,0,0|2,0,1]=4 311 B11R2.20 C1=CC2=C(C=C1)CCC=C2 Z237493310 [0,0,0,1,0,0|2,0,0]=3 312 B11R2.20 C1=CC2=C(C=C1)CNCC2 Z57834231 [0,0,0,1,0,0|2,0,1]=4 313 B11R2.20 C1=CC2=C(C=C1)COCC2 Z756090080 [0,0,0,1,0,0|1,0,1]=3 314 B11R2.20 C1=CC2=C(C=C1)CONC2 Z2096086829 [0,0,0,1,0,0|2,0,0]=3 315 B11R2.20 C1=CC2=C(C=C1)N=CC=C2 Z104472852 [0,0,0,1,0,0|2,0,1]=4 316 B11R2.20 C1=CC2=C(C=C1)N=CC=N2 Z104495568 [0,0,0,1,0,0|3,0,0]=4 317 B11R2.20 C1=CC2=C(C=C1)OCCC2 Z728136016 [0,0,0,1,0,0|1,0,2]=4 318 B11R2.20 C1=CC2=C(C=N1)COCC2 Z4394915129 [0,0,0,1,0,0|2,0,1]=4 319 B11R2.238 C1=CC=C(C=C1)CC2CO2 Z1020680006 [0,0,0,1,0,0|1,0,2]=4 320 B11R2.238 C1=CC=C(C=C1)C[C@@H]2CO2 Z1617991494 [0,0,0,1,0,0|1,0,2]=4 321 B11R2.238 C1=CC=C(C=C1)C[C@H]2CO2 Z2216712384 [0,0,0,1,0,0|1,0,2]=4 322 B11R2.239 C1=CC=C(C=C1)C2CCN2 Z359510120 [0,0,0,1,0,0|2,0,1]=4 323 B11R2.988 NCC1CC2=C1C=CC=C2 Z234895091 [0,0,0,1,0,0|2,0,1]=4 324 B9R1.12 O=C/C=C/C1=CC=CO1 Z3219926044 [0,0,0,0,1,0|2,0,1]=4 325 B9R1.12 O=CCCC1=CON=C1 Z2238235999 [0,0,0,0,1,0|3,0,0]=4 326 B9R1.12 O=CCCC1=CSC=C1 Z993017658 [0,0,0,0,1,0|2,0,0]=3 327 B8R1.2 C=CC1=CC=CC=C1 Z104474664 [2,0,0,0,0,0|0,0,1]=3 328 B8R1.2 C=CC1=NC=CC=C1 Z104495554 [2,0,0,0,0,0|1,0,1]=4 329 B8R1.2 CCC1=CC=CC=C1 Z104473632 [2,0,0,0,0,0|0,0,1]=3 330 B8R1.2 CCC1=CC=NC=C1 Z1251171246 [2,0,0,0,0,0|1,0,1]=4 331 B8R1.2 CCC1=CN=CC=C1 Z104476778 [2,0,0,0,0,0|1,0,1]=4 332 B8R1.2 CCC1=NC=CC=C1 Z113558650 [2,0,0,0,0,0|1,0,1]=4 333 B8R1.2 CNC1=CC=CC=C1 Z104472478 [2,0,0,0,0,0|1,0,1]=4 334 B8R1.2 COC1=CC=CC=C1 Z53833865 [2,0,0,0,0,0|0,0,1]=3 335 B8R1.2 Cl[Se]C1=CC=CC=C1 Z1255485131 [2,0,0,0,0,0|1,1,0]=4 336 B8R1.2 N#CC1=CC=CC=C1 Z104473628 [2,0,0,0,0,0|1,0,1]=4 337 B8R1.2 NCC1=CC=CC=C1 Z54748260 [2,0,0,0,0,0|1,0,0]=3 338 B8R1.2 NCC1=CC=NC=C1 Z104474354 [2,0,0,0,0,0|2,0,0]=4 339 B8R1.2 NCC1=CN=CC=C1 Z104474366 [2,0,0,0,0,0|2,0,0]=4 340 B8R1.2 NCC1=NC=CC=C1 Z104474352 [2,0,0,0,0,0|2,0,0]=4 341 B8R1.2 NNC1=CC=CC=C1 Z104472442 [2,0,0,0,0,0|2,0,0]=4 342 B8R1.2 O=CC1=CC=NC=C1 Z57161993 [2,0,0,0,0,0|1,0,0]=3 343 B8R1.2 O=CC1=CN=CC=C1 Z104472124 [2,0,0,0,0,0|1,0,0]=3 344 B8R1.2 O=CC1=CN=CN=C1 Z1013450426 [2,0,0,0,0,0|2,0,0]=4 345 B8R1.2 O=CC1=CN=NC=C1 Z1255435509 [2,0,0,0,0,0|2,0,0]=4 346 B8R1.2 O=CC1=NC=CC=C1 Z104472152 [2,0,0,0,0,0|1,0,0]=3 347 B8R1.2 O=CC1=NC=CN=C1 Z1013412214 [2,0,0,0,0,0|2,0,0]=4 348 B8R1.2 O=CC1=NN=CC=C1 Z1198165301 [2,0,0,0,0,0|2,0,0]=4 349 B8R1.2 OCC1=CC=CC=C1 Z104476418 [2,0,0,0,0,0|0,0,0]=2 350 B8R1.2 OCC1=CC=NC=C1 Z335244866 [2,0,0,0,0,0|1,0,0]=3 351 B8R1.2 OCC1=CN=CC=C1 Z104495622 [2,0,0,0,0,0|1,0,0]=3 352 B8R1.2 OCC1=NC=CC=C1 Z57921252 [2,0,0,0,0,0|1,0,0]=3 353 B10R1.1 CC1=CC=C(C=C1)CC#N Z285131444 [1,1,0,0,0,0|1,0,1]=4 354 B10R1.1 CC1=CC=C(C=C1)CC=O Z993017610 [1,1,0,0,0,0|0,0,0]=2 355 B10R1.1 CC1=CC=C(C=C1)CCN Z1268153218 [1,1,0,0,0,0|1,0,1]=4 356 B10R1.1 CC1=CC=C(C=C1)CCO Z397587076 [1,1,0,0,0,0|0,0,2]=4 357 B10R1.1 CCCC1=CC=C(C=C1)Br Z299596168 [1,1,0,0,0,0|1,0,1]=4 358 B10R1.1 CCCC1=CC=C(C=C1)N Z104492166 [1,1,0,0,0,0|1,0,1]=4 359 B10R1.1 CCOC1=CC=C(C=C1)C Z53834228 [1,1,0,0,0,0|1,0,1]=4 360 B10R1.1 CCOC1=CC=C(C=C1)N Z57127438 [1,1,0,0,0,0|1,0,1]=4 361 B10R1.1 CCOC1=CC=C(C=C1)S Z166646982 [1,1,0,0,0,0|1,0,1]=4 362 B10R1.1 CNCC1=CC=C(C=C1)Br Z56175269 [1,1,0,0,0,0|1,0,1]=4 363 B10R1.1 CNCC1=CC=C(C=C1)C Z56944115 [1,1,0,0,0,0|1,0,1]=4 364 B10R1.1 CNCC1=CC=C(C=C1)Cl Z56956070 [1,1,0,0,0,0|1,0,1]=4 365 B10R1.1 CNCC1=CC=C(C=C1)F Z56963340 [1,1,0,0,0,0|1,0,1]=4 366 B10R1.1 CNCC1=CC=C(C=C1)I Z4242747560 [1,1,0,0,0,0|1,0,1]=4 367 B10R1.1 COCC1=CC=C(C=C1)N Z240084568 [1,1,0,0,0,0|0,0,1]=3 368 B10R1.1 CSCC1=CC=C(C=C1)Br Z19854469 [1,1,0,0,0,0|0,1,1]=4 369 B10R1.1 CSCC1=CC=C(C=C1)N Z732207336 [1,1,0,0,0,0|0,1,1]=4 370 B10R1.1 N#CCC1=CC=C(C=C1)F Z89283961 [1,1,0,0,0,0|1,0,1]=4 371 B10R1.1 N#CCC1=CC=C(C=C1)N Z90122117 [1,1,0,0,0,0|1,0,1]=4 372 B10R1.1 N#CCC1=CC=C(C=C1)O Z90120144 [1,1,0,0,0,0|1,0,1]=4 373 B10R1.1 NC1=CC=C(C=C1)CCO Z276600190 [1,1,0,0,0,0|0,0,2]=4 374 B10R1.1 NCCC1=CC=C(C=C1)Br Z285143750 [1,1,0,0,0,0|1,0,1]=4 375 B10R1.1 NCCC1=CC=C(C=C1)Cl Z57051065 [1,1,0,0,0,0|1,0,1]=4 376 B10R1.1 NCCC1=CC=C(C=C1)F Z90122126 [1,1,0,0,0,0|1,0,1]=4 377 B10R1.1 NCCC1=CC=C(C=C1)I Z2515133713 [1,1,0,0,0,0|1,0,1]=4 378 B10R1.1 NCCC1=CC=C(C=C1)O Z744729058 [1,1,0,0,0,0|1,0,1]=4 379 B10R1.1 NOCC1=CC=C(C=C1)Cl Z1198164677 [1,1,0,0,0,0|1,0,0]=3 380 B10R1.1 O=C=NC1=CC=C(C=C1)Br Z316172584 [1,1,0,0,0,0|1,0,1]=4 381 B10R1.1 O=C=NC1=CC=C(C=C1)Cl Z104472166 [1,1,0,0,0,0|1,0,1]=4 382 B10R1.1 O=CCC1=CC=C(C=C1)Br Z1079442512 [1,1,0,0,0,0|0,0,0]=2 383 B10R1.1 O=CCC1=CC=C(C=C1)Cl Z993017718 [1,1,0,0,0,0|0,0,0]=2 384 B10R1.1 O=CCC1=CC=C(C=C1)F Z993017752 [1,1,0,0,0,0|0,0,0]=2 385 B10R1.1 O=CNC1=CC=C(C=C1)O Z87002541 [1,1,0,0,0,0|1,0,0]=3 386 B10R1.1 OCCC1=CC=C(C=C1)Br Z397587340 [1,1,0,0,0,0|0,0,2]=4 387 B10R1.1 OCCC1=CC=C(C=C1)F Z397587326 [1,1,0,0,0,0|0,0,2]=4 388 B10R1.1 OCCC1=CC=C(C=C1)O Z1250886919 [1,1,0,0,0,0|0,0,2]=4 389 B10R1.4 C=CCC1=C(C=CC=C1)O Z104493210 [1,1,0,0,0,0|1,0,0]=3 390 B10R1.4 CC1=C(C=CC=C1)CC#N Z57039593 [1,1,0,0,0,0|1,0,1]=4 391 B10R1.4 CC1=C(C=CC=C1)CC=O Z993017618 [1,1,0,0,0,0|0,0,0]=2 392 B10R1.4 CC1=C(C=CC=C1)CNN Z336481586 [1,1,0,0,0,0|2,0,0]=4 393 B10R1.4 CCCC1=C(C=CC=C1)Br Z1479686725 [1,1,0,0,0,0|1,0,1]=4 394 B10R1.4 CCCC1=C(C=CC=C1)I Z821158622 [1,1,0,0,0,0|1,0,1]=4 395 B10R1.4 CCCC1=C(C=CC=C1)N Z336087926 [1,1,0,0,0,0|1,0,1]=4 396 B10R1.4 CCOC1=C(C=CC=C1)Br Z153728256 [1,1,0,0,0,0|1,0,1]=4 397 B10R1.4 CCOC1=C(C=CC=C1)I Z406416174 [1,1,0,0,0,0|1,0,1]=4 398 B10R1.4 CCOC1=C(C=CC=C1)N Z104478442 [1,1,0,0,0,0|1,0,1]=4 399 B10R1.4 CCOC1=C(C=CC=C1)O Z104480244 [1,1,0,0,0,0|1,0,1]=4 400 B10R1.4 CNCC1=C(C=CC=C1)C Z56948272 [1,1,0,0,0,0|1,0,1]=4 401 B10R1.4 CNCC1=C(C=CC=C1)Cl Z56955956 [1,1,0,0,0,0|1,0,1]=4 402 B10R1.4 CNCC1=C(C=CC=C1)F Z56953087 [1,1,0,0,0,0|1,0,1]=4 403 B10R1.4 CNCC1=C(C=CC=C1)N Z764242576 [1,1,0,0,0,0|1,0,1]=4 404 B10R1.4 CNCC1=C(C=CC=C1)O Z398513608 [1,1,0,0,0,0|1,0,1]=4 405 B10R1.4 COCC1=C(C=CC=C1)I Z821093342 [1,1,0,0,0,0|0,0,1]=3 406 B10R1.4 COCC1=C(C=CC=C1)O Z821093528 [1,1,0,0,0,0|0,0,1]=3 407 B10R1.4 COCC1=C(N=CC=C1)N Z991490684 [1,1,0,0,0,0|1,0,1]=4 408 B10R1.4 CSCC1=C(C=CC=C1)N Z732207148 [1,1,0,0,0,0|0,1,1]=4 409 B10R1.4 N#CCC1=C(C=CC=C1)Cl Z56904744 [1,1,0,0,0,0|1,0,1]=4 410 B10R1.4 N#CCC1=C(C=CC=C1)F Z104477228 [1,1,0,0,0,0|1,0,1]=4 411 B10R1.4 NC1=C(C=CC=C1)CCO Z3417485770 [1,1,0,0,0,0|0,0,2]=4 412 B10R1.4 NCCC1=C(C=CC=C1)Br Z295382782 [1,1,0,0,0,0|1,0,1]=4 413 B10R1.4 NCCC1=C(C=CC=C1)Cl Z285143744 [1,1,0,0,0,0|1,0,1]=4 414 B10R1.4 NCCC1=C(C=CC=C1)F Z57051087 [1,1,0,0,0,0|1,0,1]=4 415 B10R1.4 NCCC1=C(C=CC=C1)O Z594038184 [1,1,0,0,0,0|1,0,1]=4 416 B10R1.4 O=CCC1=C(C=CC=C1)Br Z1183459130 [1,1,0,0,0,0|0,0,0]=2 417 B10R1.4 O=CCC1=C(C=CC=C1)F Z993017796 [1,1,0,0,0,0|0,0,0]=2 418 B10R1.4 OCCC1=C(C=CC=C1)Br Z1183459188 [1,1,0,0,0,0|0,0,2]=4 419 B10R1.4 OCCC1=C(C=CC=C1)F Z397587382 [1,1,0,0,0,0|0,0,2]=4 420 B10R1.10 C=COC1=CC=CC(=C1)C Z1269547004 [1,1,0,0,0,0|1,0,0]=3 421 B10R1.10 CC1=CC(=CC=C1)CC#N Z285131450 [1,1,0,0,0,0|1,0,1]=4 422 B10R1.10 CC1=CC(=CC=C1)CCN Z241056516 [1,1,0,0,0,0|1,0,1]=4 423 B10R1.10 CCCC1=CC(=CC=C1)Br Z1541586975 [1,1,0,0,0,0|1,0,1]=4 424 B10R1.10 CCOC1=CC(=CC=C1)Br Z53833934 [1,1,0,0,0,0|1,0,1]=4 425 B10R1.10 CCOC1=CC(=CC=C1)I Z54181578 [1,1,0,0,0,0|1,0,1]=4 426 B10R1.10 CNCC1=CC(=CC=C1)C Z102766992 [1,1,0,0,0,0|1,0,1]=4 427 B10R1.10 CNCC1=CC(=CC=C1)Cl Z56963343 [1,1,0,0,0,0|1,0,1]=4 428 B10R1.10 CNCC1=CC(=CC=C1)F Z56946085 [1,1,0,0,0,0|1,0,1]=4 429 B10R1.10 CNCC1=CC(=CC=C1)I Z3302798080 [1,1,0,0,0,0|1,0,1]=4 430 B10R1.10 CNCC1=CC(=CC=C1)O Z102766970 [1,1,0,0,0,0|1,0,1]=4 431 B10R1.10 COCC1=CC(=CC=C1)N Z285163816 [1,1,0,0,0,0|0,0,1]=3 432 B10R1.10 COCC1=CC(=CC=C1)O Z821093526 [1,1,0,0,0,0|0,0,1]=3 433 B10R1.10 COCC1=CC(=NC=C1)N Z991490692 [1,1,0,0,0,0|1,0,1]=4 434 B10R1.10 CSCC1=CC(=CC=C1)Br Z17129082 [1,1,0,0,0,0|0,1,1]=4 435 B10R1.10 CSCC1=CC(=CC=C1)N Z732207152 [1,1,0,0,0,0|0,1,1]=4 436 B10R1.10 N#CCC1=CC=CC(=C1)Cl Z57039594 [1,1,0,0,0,0|1,0,1]=4 437 B10R1.10 N#CCC1=CC=CC(=C1)F Z104477994 [1,1,0,0,0,0|1,0,1]=4 438 B10R1.10 N#CCC1=CC=CC(=C1)N Z90120426 [1,1,0,0,0,0|1,0,1]=4 439 B10R1.10 N#CCC1=CC=CC(=C1)O Z1198161712 [1,1,0,0,0,0|1,0,1]=4 440 B10R1.10 NC1=CC(=CC=C1)CCO Z1198160776 [1,1,0,0,0,0|0,0,2]=4 441 B10R1.10 NC1=CC(=CC=C1)NC=O Z1203578959 [1,1,0,0,0,0|1,0,0]=3 442 B10R1.10 NCCC1=CC(=CC=C1)Br Z285143760 [1,1,0,0,0,0|1,0,1]=4 443 B10R1.10 NCCC1=CC(=CC=C1)Cl Z57051063 [1,1,0,0,0,0|1,0,1]=4 444 B10R1.10 NCCC1=CC(=CC=C1)F Z96092963 [1,1,0,0,0,0|1,0,1]=4 445 B10R1.10 NCCC1=CC(=CC=C1)I Z4874662549 [1,1,0,0,0,0|1,0,1]=4 446 B10R1.10 NCCC1=CC(=CC=C1)O Z935140764 [1,1,0,0,0,0|1,0,1]=4 447 B10R1.10 NOCC1=CC(=CC=C1)Cl Z1198339567 [1,1,0,0,0,0|1,0,0]=3 448 B10R1.10 O=CCC1=CC=CC(=C1)Br Z1079442816 [1,1,0,0,0,0|0,0,0]=2 449 B10R1.10 O=CCC1=CC=CC(=C1)Cl Z993017836 [1,1,0,0,0,0|0,0,0]=2 450 B10R1.10 O=CNC1=CC=CC(=C1)O Z56886391 [1,1,0,0,0,0|1,0,0]=3 451 B10R1.10 OCCC1=CC(=CC=C1)Cl Z992289382 [1,1,0,0,0,0|0,0,2]=4 452 B10R1.10 OCCC1=CC(=CC=C1)F Z397587224 [1,1,0,0,0,0|0,0,2]=4 453 B10R1.15 C=CC(O)C1=CC=CC=C1 Z1255438717 [1,1,0,0,0,0|1,0,0]=3 454 B10R1.15 CC(C=O)C1=CC=CC=C1 Z104495674 [1,1,0,0,0,0|0,0,0]=2 455 B10R1.15 CC(CBr)C1=CC=CC=C1 Z756118300 [1,1,0,0,0,0|1,0,1]=4 456 B10R1.15 CCC(N)C1=CC=CC=C1 Z1262252904 [1,1,0,0,0,0|1,0,1]=4 457 B10R1.15 CCC(O)C1=CC=CC=C1 Z335245178 [1,1,0,0,0,0|1,0,1]=4 458 B10R1.15 CN(N=O)C1=CC=CC=C1 Z87001980 [1,1,0,0,0,0|2,0,0]=4 459 B10R1.15 CNC(C)C1=CC=CC=C1 Z85917524 [1,1,0,0,0,0|1,0,1]=4 460 B10R1.15 COC(=O)C1=CC=CC=C1 Z19825577 [1,1,0,0,0,0|0,0,2]=4 461 B10R1.15 C[C@H](CN)C1=CC=CC=C1 Z1203578128 [1,1,0,0,0,0|1,0,1]=4 462 B10R1.15 N#CC(Br)C1=CC=CC=C1 Z1198157485 [1,1,0,0,0,0|1,0,1]=4 463 B10R1.15 NC(CO)C1=CC=CC=C1 Z381674942 [1,1,0,0,0,0|0,0,2]=4 464 B10R1.15 NCC(N)C1=CC=CC=C1 Z425861034 [1,1,0,0,0,0|1,0,1]=4 465 B10R1.15 NCC(O)C1=CC=CC=C1 Z104476088 [1,1,0,0,0,0|1,0,1]=4 466 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 Z1201618614 [1,1,0,0,0,0|0,0,2]=4 467 B10R1.15 N[C@H](CO)C1=CC=CC=C1 Z1101444224 [1,1,0,0,0,0|0,0,2]=4 468 B10R1.15 O=CC(=O)C1=CC=CC=C1 Z1954804411 [1,1,0,0,0,0|0,0,1]=3 469 B10R1.18 CC(=O)CC1=CC=NC=C1 Z992409812 [1,1,0,0,0,0|1,0,0]=3 470 B10R1.18 CC(=O)CC1=NC=CN=C1 Z1098219337 [1,1,0,0,0,0|2,0,0]=4 471 B10R1.18 CC(=O)NC1=CC=CC=C1 Z27782600 [1,1,0,0,0,0|1,0,0]=3 472 B10R1.18 CC(=O)NC1=CN=CC=C1 Z31791378 [1,1,0,0,0,0|2,0,0]=4 473 B10R1.18 CC(C)CC1=CC=CC=C1 Z104486386 [1,1,0,0,0,0|1,0,1]=4 474 B10R1.18 CC(C)OC1=CC=CC=C1 Z53833867 [1,1,0,0,0,0|1,0,1]=4 475 B10R1.18 CC(O)CC1=CC=CC=C1 Z513749298 [1,1,0,0,0,0|0,0,2]=4 476 B10R1.18 N=C(N)CC1=CC=CC=C1 Z600428462 [1,1,0,0,0,0|1,0,0]=3 477 B10R1.18 N=C(N)CC1=CC=NC=C1 Z2441004470 [1,1,0,0,0,0|2,0,0]=4 478 B10R1.18 N=C(N)CC1=CN=CC=C1 Z2350941593 [1,1,0,0,0,0|2,0,0]=4 479 B10R1.18 NC(=O)CC1=CC=CC=C1 Z33546508 [1,1,0,0,0,0|0,0,0]=2 480 B10R1.18 NC(=O)CC1=CC=NC=C1 Z234895093 [1,1,0,0,0,0|1,0,0]=3 481 B10R1.18 NC(=O)CC1=CN=CN=C1 Z1203583458 [1,1,0,0,0,0|2,0,0]=4 482 B10R1.18 NC(=O)NC1=NC=CC=C1 Z208358454 [1,1,0,0,0,0|2,0,0]=4 483 B10R1.18 NC(=O)OC1=CC=CC=C1 Z33547080 [1,1,0,0,0,0|0,0,0]=2 484 B10R1.18 NC(=S)CC1=CC=CC=C1 Z56928578 [1,1,0,0,0,0|0,1,0]=3 485 B10R1.18 NC(=S)NC1=CC=CC=C1 Z57474172 [1,1,0,0,0,0|1,1,0]=4 486 B10R1.18 O=C(O)CC1=CC=NC=C1 Z271099418 [1,1,0,0,0,0|1,0,0]=3 487 B10R1.18 O=C(O)CC1=CN=CC=C1 Z285131558 [1,1,0,0,0,0|1,0,0]=3 488 B10R1.18 O=C(O)CC1=CN=CN=C1 Z1889902548 [1,1,0,0,0,0|2,0,0]=4 489 B10R1.18 O=S(O)CC1=CC=CC=C1 Z3211806022 [1,1,0,0,0,0|0,1,0]=3 490 B10R1.18 O=[N+]([O-])CC1=CC=CC=C1 Z995236210 [1,1,0,0,0,0|1,0,0]=3 491 B10R1.18 OB(O)CC1=CC=CC=C1 Z1147227831 [1,1,0,0,0,0|1,0,1]=4 492 B10R1.66 CC(=O)CCC1=CSC=C1 Z444869186 [0,1,0,0,1,0|2,0,0]=4 493 B10R1.66 CC(=O)NCC1=CC=CO1 Z31407850 [0,1,0,0,1,0|2,0,0]=4 494 B10R1.66 CC(=O)NCC1=CC=CS1 Z29693692 [0,1,0,0,1,0|2,0,0]=4 495 B10R1.66 NC(=O)NCC1=CC=CO1 Z56900771 [0,1,0,0,1,0|2,0,0]=4 496 B10R1.66 NC(=O)NCC1=CC=CS1 Z108576590 [0,1,0,0,1,0|2,0,0]=4 497 B10R1.66 O=C(O)CCC1=CC=CS1 Z57052863 [0,1,0,0,1,0|2,0,0]=4 498 B10R1.66 O=C(O)CCC1=COC=C1 Z1098234501 [0,1,0,0,1,0|2,0,0]=4 499 B10R1.66 O=C(O)CCC1=CSC=C1 Z85923469 [0,1,0,0,1,0|2,0,0]=4 500 B10R1.66 O=C(O)CCN1C=CC=C1 Z245326706 [0,1,0,0,1,0|2,0,0]=4 501 B12R1.1 NC1=CC=C(C=C1)COCCO Z332379572 [0,2,0,0,0,0|0,0,2]=4 502 B12R1.1 NCCOCC1=CC=C(C=C1)Cl Z1511495255 [0,2,0,0,0,0|1,0,1]=4 503 B12R1.1 OC1=CC=C(C=C1)SC/C=C/Cl Z733876456 [0,2,0,0,0,0|2,0,0]=4 504 B12R1.21 CC(=O)/C=C/C1=CC=C(C=C1)F Z1201619760 [0,2,0,0,0,0|1,0,1]=4 505 B12R1.21 CC(=O)CCC1=CC=C(C=C1)C Z406376788 [0,2,0,0,0,0|1,0,0]=3 506 B12R1.21 CC(=O)CCC1=CC=C(C=C1)F Z406376784 [0,2,0,0,0,0|1,0,0]=3 507 B12R1.21 CC(=O)CCC1=CC=C(C=C1)I Z1263632422 [0,2,0,0,0,0|1,0,0]=3 508 B12R1.21 CC(=O)NCC1=CC=C(C=C1)Br Z816034502 [0,2,0,0,0,0|1,0,0]=3 509 B12R1.21 CC(=O)NCC1=CC=C(C=C1)N Z600391558 [0,2,0,0,0,0|1,0,0]=3 510 B12R1.21 CC(=O)NNC1=CC=C(C=C1)F Z30877183 [0,2,0,0,0,0|2,0,0]=4 511 B12R1.21 CC(C)OCC1=CC=C(C=C1)Br Z823855528 [0,2,0,0,0,0|1,0,1]=4 512 B12R1.21 CC(C)OCC1=CC=C(C=C1)N Z285178068 [0,2,0,0,0,0|1,0,1]=4 513 B12R1.21 CC1=CC=C(C=C1)/C=C/C(=O)O Z2942851512 [0,2,0,0,0,0|1,0,1]=4 514 B12R1.21 CC1=CC=C(C=C1)CCC(=O)N Z194976512 [0,2,0,0,0,0|1,0,0]=3 515 B12R1.21 CC1=CC=C(C=C1)CCC(=O)O Z169855336 [0,2,0,0,0,0|1,0,0]=3 516 B12R1.21 CC1=CC=C(C=C1)CNC(=N)N Z911465430 [0,2,0,0,0,0|2,0,0]=4 517 B12R1.21 CC1=CC=C(C=C1)CNC(=O)N Z198194838 [0,2,0,0,0,0|1,0,0]=3 518 B12R1.21 CC1=CC=C(C=C1)CNC(=S)N Z56915894 [0,2,0,0,0,0|1,1,0]=4 519 B12R1.21 CC1=CC=C(C=C1)OCC(=O)N Z19732046 [0,2,0,0,0,0|2,0,0]=4 520 B12R1.21 CC1=CC=C(C=C1)OCC(=O)O Z56812739 [0,2,0,0,0,0|2,0,0]=4 521 B12R1.21 CC1=CC=C(C=C1)SCC(=O)N Z18770000 [0,2,0,0,0,0|2,0,0]=4 522 B12R1.21 CC1=CC=C(C=C1)SCC(=O)O Z55903478 [0,2,0,0,0,0|2,0,0]=4 523 B12R1.21 CC1=NC=C(C=C1)CCC(=O)O Z2310699273 [0,2,0,0,0,0|2,0,0]=4 524 B12R1.21 N=C(N)SCC1=CC=C(C=C1)Br Z48820389 [0,2,0,0,0,0|1,1,0]=4 525 B12R1.21 N=C(N)SCC1=CC=C(C=C1)Cl Z48820386 [0,2,0,0,0,0|1,1,0]=4 526 B12R1.21 NC(=O)/C=C/C1=CC=C(C=C1)Br Z33545605 [0,2,0,0,0,0|1,0,1]=4 527 B12R1.21 NC(=O)CCC1=CC=C(C=C1)F Z87614992 [0,2,0,0,0,0|1,0,0]=3 528 B12R1.21 NC(=O)CCC1=CC=C(C=C1)N Z414316852 [0,2,0,0,0,0|1,0,0]=3 529 B12R1.21 NC(=O)CNC1=CC=C(C=C1)Br Z104586672 [0,2,0,0,0,0|2,0,0]=4 530 B12R1.21 NC(=O)CNC1=CC=C(C=C1)Cl Z104647358 [0,2,0,0,0,0|2,0,0]=4 531 B12R1.21 NC(=O)CNC1=CC=C(C=C1)I Z104728120 [0,2,0,0,0,0|2,0,0]=4 532 B12R1.21 NC(=O)COC1=CC=C(C=C1)Br Z19725712 [0,2,0,0,0,0|2,0,0]=4 533 B12R1.21 NC(=O)COC1=CC=C(C=C1)F Z19734788 [0,2,0,0,0,0|2,0,0]=4 534 B12R1.21 NC(=O)COC1=CC=C(C=C1)I Z25086979 [0,2,0,0,0,0|2,0,0]=4 535 B12R1.21 NC(=O)COC1=CC=C(C=C1)N Z239127428 [0,2,0,0,0,0|2,0,0]=4 536 B12R1.21 NC(=O)COC1=CC=C(C=C1)O Z381414726 [0,2,0,0,0,0|2,0,0]=4 537 B12R1.21 NC(=O)CSC1=CC=C(C=C1)Br Z18744574 [0,2,0,0,0,0|2,0,0]=4 538 B12R1.21 NC(=O)CSC1=CC=C(C=C1)F Z16034821 [0,2,0,0,0,0|2,0,0]=4 539 B12R1.21 NC(=O)NCC1=CC=C(C=C1)F Z198194834 [0,2,0,0,0,0|1,0,0]=3 540 B12R1.21 NC(=O)NCC1=CC=C(C=C1)N Z600391988 [0,2,0,0,0,0|1,0,0]=3 541 B12R1.21 NC(=S)NCC1=CC=C(C=C1)F Z111411726 [0,2,0,0,0,0|1,1,0]=4 542 B12R1.21 NC1=CC=C(C=C1)/C=C/C(=O)O Z56762319 [0,2,0,0,0,0|1,0,1]=4 543 B12R1.21 NC1=CC=C(C=C1)CCC(=O)O Z336079452 [0,2,0,0,0,0|1,0,0]=3 544 B12R1.21 NC1=CC=C(C=C1)OCC(=O)O Z3241275736 [0,2,0,0,0,0|2,0,0]=4 545 B12R1.21 NC1=NC=C(C=C1)CCC(=O)O Z1255384430 [0,2,0,0,0,0|2,0,0]=4 546 B12R1.21 O=C(O)/C=C/C1=CC=C(C=C1)Br Z2237493681 [0,2,0,0,0,0|1,0,1]=4 547 B12R1.21 O=C(O)/C=C/C1=CC=C(C=C1)Cl Z56989206 [0,2,0,0,0,0|1,0,1]=4 548 B12R1.21 O=C(O)/C=C/C1=CC=C(C=C1)F Z2942851074 [0,2,0,0,0,0|1,0,1]=4 549 B12R1.21 O=C(O)/C=C/C1=CC=C(C=C1)O Z56911963 [0,2,0,0,0,0|1,0,1]=4 550 B12R1.21 O=C(O)CCC1=CC=C(C=C1)Br Z118438622 [0,2,0,0,0,0|1,0,0]=3 551 B12R1.21 O=C(O)CCC1=CC=C(C=C1)Cl Z178961272 [0,2,0,0,0,0|1,0,0]=3 552 B12R1.21 O=C(O)CCC1=CC=C(C=C1)F Z89264973 [0,2,0,0,0,0|1,0,0]=3 553 B12R1.21 O=C(O)CCC1=CC=C(C=C1)O Z317038012 [0,2,0,0,0,0|1,0,0]=3 554 B12R1.21 O=C(O)CCC1=CN=C(C=C1)Cl Z1695923041 [0,2,0,0,0,0|2,0,0]=4 555 B12R1.21 O=C(O)CCC1=CNC(=O)C=C1 Z1889997460 [0,2,0,0,0,0|2,0,0]=4 556 B12R1.21 O=C(O)CCC1=NC=C(C=C1)Br Z1269216724 [0,2,0,0,0,0|2,0,0]=4 557 B12R1.21 O=C(O)CNC1=CC=C(C=C1)Br Z274534708 [0,2,0,0,0,0|2,0,0]=4 558 B12R1.21 O=C(O)CNC1=CC=C(C=C1)Cl Z274534702 [0,2,0,0,0,0|2,0,0]=4 559 B12R1.21 O=C(O)CNC1=CC=C(C=C1)O Z57127481 [0,2,0,0,0,0|2,0,0]=4 560 B12R1.21 O=C(O)COC1=CC=C(C=C1)Br Z56812736 [0,2,0,0,0,0|2,0,0]=4 561 B12R1.21 O=C(O)COC1=CC=C(C=C1)Cl Z57181989 [0,2,0,0,0,0|2,0,0]=4 562 B12R1.21 O=C(O)COC1=CC=C(C=C1)F Z56978034 [0,2,0,0,0,0|2,0,0]=4 563 B12R1.21 O=C(O)COC1=CC=C(C=C1)I Z56943814 [0,2,0,0,0,0|2,0,0]=4 564 B12R1.21 O=C(O)COC1=CC=C(C=C1)O Z1192367471 [0,2,0,0,0,0|2,0,0]=4 565 B12R1.21 O=C(O)CSC1=CC=C(C=C1)Br Z55903477 [0,2,0,0,0,0|2,0,0]=4 566 B12R1.21 O=C(O)CSC1=CC=C(C=C1)Cl Z55179956 [0,2,0,0,0,0|2,0,0]=4 567 B12R1.21 O=C(O)CSC1=CC=C(C=C1)F Z55903650 [0,2,0,0,0,0|2,0,0]=4 568 B12R1.21 O=C(O)CSC1=CC=C(C=C1)O Z733878444 [0,2,0,0,0,0|2,0,0]=4 569 B12R1.49 C/C(=C\C1=CC=C(C=C1)Cl)/C=O Z1251359146 [0,2,0,0,0,0|1,0,1]=4 570 B12R1.49 CC1=CC=C(C=C1)CC(Cl)C=O Z982126370 [0,2,0,0,0,0|1,0,0]=3 571 B12R1.69 O=C/C=C/C1=C(C=C(C=C1)F)F Z1198173301 [0,2,0,0,0,0|1,0,1]=4 572 B12R1.69 O=CCCC1=C(C=C(C=C1)Cl)Cl Z993017674 [0,2,0,0,0,0|1,0,0]=3 573 B12R1.69 O=CCCC1=C(C=C(C=C1)F)F Z993017790 [0,2,0,0,0,0|1,0,0]=3 574 B12R1.71 CCC1=CC=C(C=C1)CCC=O Z993017820 [0,2,0,0,0,0|1,0,0]=3 575 B12R1.71 CCOCC1=CC=C(C=C1)C#N Z295205422 [0,2,0,0,0,0|1,0,1]=4 576 B12R1.71 COC1=CC=C(C=C1)CCC=O Z1079442590 [0,2,0,0,0,0|1,0,0]=3 577 B12R1.71 COC1=CC=C(C=C1)SCC=O Z854102788 [0,2,0,0,0,0|2,0,0]=4 578 B12R1.71 N#CC1=CC=C(C=C1)/C=C/C=O Z2240804591 [0,2,0,0,0,0|1,0,1]=4 579 B12R1.71 N#CC1=CC=C(C=C1)CCC=O Z1198182710 [0,2,0,0,0,0|1,0,0]=3 580 B12R1.385 O=C/C=C/C1=CC(=C(C=C1)Cl)Cl Z1269224361 [0,2,0,0,0,0|1,0,1]=4 581 B12R1.385 O=C/C=C/C1=CC(=C(C=C1)F)F Z1255405037 [0,2,0,0,0,0|1,0,1]=4 582 B12R1.385 O=CCCC1=CC(=C(C=C1)Cl)Cl Z993017630 [0,2,0,0,0,0|1,0,0]=3 583 B12R1.385 O=CCCC1=CC(=C(C=C1)Cl)F Z1198182696 [0,2,0,0,0,0|1,0,0]=3 584 B12R1.385 O=CCCC1=CC(=C(C=C1)F)F Z1198182685 [0,2,0,0,0,0|1,0,0]=3 585 B12R1.3 C=CCC(C=O)C1=CC=CC=C1 Z1416169093 [0,2,0,0,0,0|2,0,0]=4 586 B12R1.3 CCOC(C#N)C1=CC=CC=C1 Z1270207114 [0,2,0,0,0,0|1,0,1]=4 587 B12R1.30 C=CCCC(=O)C1=CC=CC=C1 Z406376458 [0,2,0,0,0,0|2,0,0]=4 588 B12R1.30 C=CCCC(N)C1=CC=CC=C1 Z1219748388 [0,2,0,0,0,0|2,0,0]=4 589 B12R1.107 C/C(=C\C(=O)O)/C1=CC=CC=C1 Z352748396 [0,2,0,0,0,0|1,0,1]=4 590 B12R1.107 C=C(C)CC(N)C1=CC=CC=C1 Z4497189696 [0,2,0,0,0,0|2,0,0]=4 591 B12R1.107 CC(CC(=O)N)C1=CC=CC=C1 Z33546734 [0,2,0,0,0,0|1,0,0]=3 592 B12R1.107 CC(CC(=O)O)C1=CC=CC=C1 Z56899204 [0,2,0,0,0,0|1,0,0]=3 593 B12R1.107 CC(CC(=O)O)C1=CC=NC=C1 Z352782496 [0,2,0,0,0,0|2,0,0]=4 594 B12R1.107 CC(NC(=N)N)C1=CC=CC=C1 Z1089996260 [0,2,0,0,0,0|2,0,0]=4 595 B12R1.107 CC(NC(=O)N)C1=CC=CC=C1 Z198194342 [0,2,0,0,0,0|1,0,0]=3 596 B12R1.107 CC(NC(=S)N)C1=CC=CC=C1 Z56913099 [0,2,0,0,0,0|1,1,0]=4 597 B12R1.107 CN(CC(=O)N)C1=CC=CC=C1 Z54747686 [0,2,0,0,0,0|2,0,0]=4 598 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 Z1162448842 [0,2,0,0,0,0|2,0,0]=4 599 B12R1.107 CS(=O)CC(N)C1=CC=CC=C1 Z1238793494 [0,2,0,0,0,0|2,0,0]=4 600 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 Z94601171 [0,2,0,0,0,0|1,0,0]=3 601 B12R1.107 NC(CC(=O)O)C1=CC=NC=C1 Z317027344 [0,2,0,0,0,0|2,0,0]=4 602 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 Z756925772 [0,2,0,0,0,0|1,0,0]=3 603 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 Z1696091779 [0,2,0,0,0,0|1,0,0]=3 604 B12R1.107 O=C(O)/C=C(\I)/C1=CC=CC=C1 Z3379426714 [0,2,0,0,0,0|1,0,1]=4 605 B12R1.107 O=C(O)CC(O)C1=CC=CC=C1 Z982132010 [0,2,0,0,0,0|1,0,0]=3 606 B12R1.107 O=C(O)NC(=O)C1=CC=CC=C1 Z56928966 [0,2,0,0,0,0|1,0,1]=4 607 B12R1.121 C=CCCC1=C(C=CC=C1)C=O Z1511744014 [0,2,0,0,0,0|2,0,0]=4 608 B12R1.121 COC1=C(C=CC=C1)/C=C/C=O Z2573655488 [0,2,0,0,0,0|1,0,1]=4 609 B12R1.121 COC1=C(C=CC=C1)CCC=O Z993017838 [0,2,0,0,0,0|1,0,0]=3 610 B12R1.125 CC(=O)/C=C/C1=C(C=CC=C1)F Z1217226767 [0,2,0,0,0,0|1,0,1]=4 611 B12R1.125 CC(=O)CCC1=C(C=CC=C1)F Z406376954 [0,2,0,0,0,0|1,0,0]=3 612 B12R1.125 CC(=O)NCC1=C(C=CC=C1)F Z29857733 [0,2,0,0,0,0|1,0,0]=3 613 B12R1.125 CC(=O)NCC1=C(C=CC=C1)N Z3711224127 [0,2,0,0,0,0|1,0,0]=3 614 B12R1.125 CC(C)OCC1=C(C=CC=C1)N Z285178240 [0,2,0,0,0,0|1,0,1]=4 615 B12R1.125 CC1=C(C=CC=C1)/C=C/C(=O)O Z2417574586 [0,2,0,0,0,0|1,0,1]=4 616 B12R1.125 CC1=C(C=CC=C1)CCC(=O)O Z317037960 [0,2,0,0,0,0|1,0,0]=3 617 B12R1.125 CC1=C(C=CC=C1)NCC(=O)N Z104590676 [0,2,0,0,0,0|2,0,0]=4 618 B12R1.125 CC1=C(C=CC=C1)OCC(=O)N Z19733874 [0,2,0,0,0,0|2,0,0]=4 619 B12R1.125 CC1=C(C=CC=C1)OCC(=O)O Z56820406 [0,2,0,0,0,0|2,0,0]=4 620 B12R1.125 CC1=C(C=CC=C1)SCC(=O)O Z56870728 [0,2,0,0,0,0|2,0,0]=4 621 B12R1.125 CC1=C(C=CC=N1)CCC(=O)O Z3213741164 [0,2,0,0,0,0|2,0,0]=4 622 B12R1.125 CC1=C(N=CC=C1)CCC(=O)O Z1198279885 [0,2,0,0,0,0|2,0,0]=4 623 B12R1.125 N=C(N)NCC1=C(C=CC=C1)F Z3034959360 [0,2,0,0,0,0|2,0,0]=4 624 B12R1.125 N=C(N)SCC1=C(C=CC=C1)Cl Z48820396 [0,2,0,0,0,0|1,1,0]=4 625 B12R1.125 NC(=O)CCC1=C(C=CC=C1)Br Z741559968 [0,2,0,0,0,0|1,0,0]=3 626 B12R1.125 NC(=O)CCC1=C(C=CC=C1)N Z414316848 [0,2,0,0,0,0|1,0,0]=3 627 B12R1.125 NC(=O)CCC1=C(C=CC=C1)O Z371352778 [0,2,0,0,0,0|1,0,0]=3 628 B12R1.125 NC(=O)CNC1=C(C=CC=C1)Br Z137588472 [0,2,0,0,0,0|2,0,0]=4 629 B12R1.125 NC(=O)CNC1=C(C=CC=C1)Cl Z104528166 [0,2,0,0,0,0|2,0,0]=4 630 B12R1.125 NC(=O)CNC1=C(C=CC=C1)I Z133437412 [0,2,0,0,0,0|2,0,0]=4 631 B12R1.125 NC(=O)COC1=C(C=CC=C1)Br Z17829253 [0,2,0,0,0,0|2,0,0]=4 632 B12R1.125 NC(=O)COC1=C(C=CC=C1)Cl Z19726626 [0,2,0,0,0,0|2,0,0]=4 633 B12R1.125 NC(=O)COC1=C(C=CC=C1)F Z19724798 [0,2,0,0,0,0|2,0,0]=4 634 B12R1.125 NC(=O)COC1=C(C=CC=C1)I Z406416164 [0,2,0,0,0,0|2,0,0]=4 635 B12R1.125 NC(=O)CSC1=C(C=CC=C1)Br Z149386624 [0,2,0,0,0,0|2,0,0]=4 636 B12R1.125 NC(=O)CSC1=C(C=CC=C1)Cl Z18459622 [0,2,0,0,0,0|2,0,0]=4 637 B12R1.125 NC(=O)CSC1=C(C=CC=C1)N Z57332466 [0,2,0,0,0,0|2,0,0]=4 638 B12R1.125 NC(=O)NCC1=C(C=CC=C1)Cl Z198194806 [0,2,0,0,0,0|1,0,0]=3 639 B12R1.125 NC(=O)NCC1=C(C=CC=C1)F Z198194842 [0,2,0,0,0,0|1,0,0]=3 640 B12R1.125 O=C(O)/C=C/C1=C(C=CC=C1)Br Z2315575361 [0,2,0,0,0,0|1,0,1]=4 641 B12R1.125 O=C(O)/C=C/C1=C(C=CC=C1)Cl Z57264035 [0,2,0,0,0,0|1,0,1]=4 642 B12R1.125 O=C(O)/C=C/C1=C(C=CC=C1)F Z2573655240 [0,2,0,0,0,0|1,0,1]=4 643 B12R1.125 O=C(O)CCC1=C(C=CC=C1)Br Z406704244 [0,2,0,0,0,0|1,0,0]=3 644 B12R1.125 O=C(O)CCC1=C(C=CC=C1)Cl Z56943366 [0,2,0,0,0,0|1,0,0]=3 645 B12R1.125 O=C(O)CCC1=C(C=CC=C1)F Z57991059 [0,2,0,0,0,0|1,0,0]=3 646 B12R1.125 O=C(O)CCC1=C(C=CC=C1)O Z56347225 [0,2,0,0,0,0|1,0,0]=3 647 B12R1.125 O=C(O)CCN1C=CC=CC1=O Z240085344 [0,2,0,0,0,0|2,0,0]=4 648 B12R1.125 O=C(O)CNC1=C(C=CC=C1)Cl Z274534698 [0,2,0,0,0,0|2,0,0]=4 649 B12R1.125 O=C(O)COC1=C(C=CC=C1)Br Z111834298 [0,2,0,0,0,0|2,0,0]=4 650 B12R1.125 O=C(O)COC1=C(C=CC=C1)Cl Z57042068 [0,2,0,0,0,0|2,0,0]=4 651 B12R1.125 O=C(O)COC1=C(C=CC=C1)F Z56823442 [0,2,0,0,0,0|2,0,0]=4 652 B12R1.125 O=C(O)COC1=C(C=CC=C1)O Z56869464 [0,2,0,0,0,0|2,0,0]=4 653 B12R1.125 O=C(O)CSC1=C(C=CC=C1)Br Z56827233 [0,2,0,0,0,0|2,0,0]=4 654 B12R1.125 O=C(O)CSC1=C(C=CC=C1)Cl Z55903470 [0,2,0,0,0,0|2,0,0]=4 655 B12R1.125 O=C(O)CSC1=C(C=CC=C1)F Z55903942 [0,2,0,0,0,0|2,0,0]=4 656 B12R1.125 O=C(O)CSC1=C(C=CC=C1)O Z905204160 [0,2,0,0,0,0|2,0,0]=4 657 B12R1.267 C=CCNCC1=C(C=CC=C1)F Z744843672 [0,2,0,0,0,0|2,0,0]=4 658 B12R1.267 NCCOCC1=C(C=CC=C1)Cl Z1259340990 [0,2,0,0,0,0|1,0,1]=4 659 B12R1.267 O=CCCCC1=C(C=CC=C1)Br Z1233207918 [0,2,0,0,0,0|1,0,0]=3 660 B12R1.267 O=CCCCC1=C(C=CC=C1)F Z1233207919 [0,2,0,0,0,0|1,0,0]=3 661 B12R1.371 O=CC(Cl)CC1=C(C=CC=C1)Cl Z982126354 [0,2,0,0,0,0|1,0,0]=3 662 B12R1.1631 O=CCCC1=C(C=CC=C1Cl)Cl Z993017858 [0,2,0,0,0,0|1,0,0]=3 663 B12R1.1631 O=CCCC1=C(C=CC=C1Cl)F Z993017832 [0,2,0,0,0,0|1,0,0]=3 664 B12R1.28 C=CCCOC1=CC=CC(=C1)N Z1219749397 [0,2,0,0,0,0|2,0,0]=4 665 B12R1.28 NCCOCC1=CC(=CC=C1)Cl Z1891776830 [0,2,0,0,0,0|1,0,1]=4 666 B12R1.100 O=C/C=C/C1=CC(=CC(=C1)F)F Z1511755198 [0,2,0,0,0,0|1,0,1]=4 667 B12R1.226 CC(=O)CCC1=CC(=CC=C1)C Z406376778 [0,2,0,0,0,0|1,0,0]=3 668 B12R1.226 CC(=O)CCC1=CC(=CC=C1)F Z406376716 [0,2,0,0,0,0|1,0,0]=3 669 B12R1.226 CC(=O)NCC1=CC(=CC=C1)Br Z340632658 [0,2,0,0,0,0|1,0,0]=3 670 B12R1.226 CC(=O)NCC1=CC(=CC=C1)F Z340527618 [0,2,0,0,0,0|1,0,0]=3 671 B12R1.226 CC(=O)NNC1=CC(=CC=C1)C Z30552180 [0,2,0,0,0,0|2,0,0]=4 672 B12R1.226 CC(C)OCC1=CC(=CC=C1)Br Z823855536 [0,2,0,0,0,0|1,0,1]=4 673 B12R1.226 CC(C)OCC1=CC(=CC=C1)N Z285178238 [0,2,0,0,0,0|1,0,1]=4 674 B12R1.226 CC1=CC(=CC=C1)/C=C/C(=O)O Z2942851787 [0,2,0,0,0,0|1,0,1]=4 675 B12R1.226 CC1=CC(=CC=C1)CCC(=O)N Z194976514 [0,2,0,0,0,0|1,0,0]=3 676 B12R1.226 CC1=CC(=CC=C1)CCC(=O)O Z169993866 [0,2,0,0,0,0|1,0,0]=3 677 B12R1.226 CC1=CC(=CC=C1)CNC(=S)N Z847147370 [0,2,0,0,0,0|1,1,0]=4 678 B12R1.226 CC1=CC(=CC=C1)CSC(=N)N Z57992123 [0,2,0,0,0,0|1,1,0]=4 679 B12R1.226 CC1=CC(=CC=C1)NCC(=O)N Z104589324 [0,2,0,0,0,0|2,0,0]=4 680 B12R1.226 CC1=CC(=CC=C1)OCC(=O)N Z19732960 [0,2,0,0,0,0|2,0,0]=4 681 B12R1.226 CC1=CC(=CC=C1)OCC(=O)O Z56899056 [0,2,0,0,0,0|2,0,0]=4 682 B12R1.226 CC1=CC(=CC=C1)SCC(=O)O Z778642574 [0,2,0,0,0,0|2,0,0]=4 683 B12R1.226 N=C(N)SCC1=CC(=CC=C1)F Z48820172 [0,2,0,0,0,0|1,1,0]=4 684 B12R1.226 NC(=O)CCC1=CC(=CC=C1)N Z414316850 [0,2,0,0,0,0|1,0,0]=3 685 B12R1.226 NC(=O)CNC1=CC(=CC=C1)Br Z104587998 [0,2,0,0,0,0|2,0,0]=4 686 B12R1.226 NC(=O)CNC1=CC(=CC=C1)F Z104640682 [0,2,0,0,0,0|2,0,0]=4 687 B12R1.226 NC(=O)COC1=CC(=CC=C1)F Z19755608 [0,2,0,0,0,0|2,0,0]=4 688 B12R1.226 NC(=O)COC1=CC(=CC=C1)I Z25076202 [0,2,0,0,0,0|2,0,0]=4 689 B12R1.226 NC(=O)COC1=CC(=CC=C1)N Z235344273 [0,2,0,0,0,0|2,0,0]=4 690 B12R1.226 NC(=O)COC1=CC(=CC=C1)O Z381415558 [0,2,0,0,0,0|2,0,0]=4 691 B12R1.226 NC(=O)NCC1=CC(=CC=C1)F Z362629554 [0,2,0,0,0,0|1,0,0]=3 692 B12R1.226 NC1=CC(=CC=C1)/C=C/C(=O)O Z2942853438 [0,2,0,0,0,0|1,0,1]=4 693 B12R1.226 O=C(O)/C=C/C1=CC(=CC=C1)Br Z2312942093 [0,2,0,0,0,0|1,0,1]=4 694 B12R1.226 O=C(O)/C=C/C1=CC(=CC=C1)Cl Z2573655238 [0,2,0,0,0,0|1,0,1]=4 695 B12R1.226 O=C(O)/C=C/C1=CC(=CC=C1)F Z2935925467 [0,2,0,0,0,0|1,0,1]=4 696 B12R1.226 O=C(O)/C=C/C1=CC(=CC=C1)O Z247613734 [0,2,0,0,0,0|1,0,1]=4 697 B12R1.226 O=C(O)C#CC1=CC(=CC=C1)Cl Z1143242523 [0,2,0,0,0,0|1,0,1]=4 698 B12R1.226 O=C(O)CCC1=CC(=CC=C1)Br Z56943439 [0,2,0,0,0,0|1,0,0]=3 699 B12R1.226 O=C(O)CCC1=CC(=CC=C1)F Z185153196 [0,2,0,0,0,0|1,0,0]=3 700 B12R1.226 O=C(O)CCC1=CC(=CC=C1)O Z317038038 [0,2,0,0,0,0|1,0,0]=3 701 B12R1.226 O=C(O)CCC1=CC(=CN=C1)F Z1262517660 [0,2,0,0,0,0|2,0,0]=4 702 B12R1.226 O=C(O)CCC1=CC(=CN=C1)O Z1504676734 [0,2,0,0,0,0|2,0,0]=4 703 B12R1.226 O=C(O)CNC1=CC(=CC=C1)Cl Z274534700 [0,2,0,0,0,0|2,0,0]=4 704 B12R1.226 O=C(O)COC1=CC(=CC=C1)Br Z56812737 [0,2,0,0,0,0|2,0,0]=4 705 B12R1.226 O=C(O)COC1=CC(=CC=C1)Cl Z57008935 [0,2,0,0,0,0|2,0,0]=4 706 B12R1.226 O=C(O)CSC1=CC(=CC=C1)Br Z255149890 [0,2,0,0,0,0|2,0,0]=4 707 B12R1.226 O=C(O)CSC1=CC(=CC=C1)Cl Z994465872 [0,2,0,0,0,0|2,0,0]=4 708 B12R1.226 O=C(O)CSC1=CC(=CC=C1)F Z1198220671 [0,2,0,0,0,0|2,0,0]=4 709 B12R1.226 O=C(O)CSC1=CC(=CC=C1)O Z1262555002 [0,2,0,0,0,0|2,0,0]=4 710 B12R1.382 C=CCCC1=CC(=CC=C1)C=O Z1511874801 [0,2,0,0,0,0|2,0,0]=4 711 B12R1.382 CCOCC1=CC(=CC=C1)CN Z744843456 [0,2,0,0,0,0|1,0,1]=4 712 B12R1.382 COC1=CC(=CC=C1)CCC=O Z993017768 [0,2,0,0,0,0|1,0,0]=3 713 B12R1.382 COC1=CC(=CN=C1)CCC=O Z1522556054 [0,2,0,0,0,0|2,0,0]=4 714 B12R1.8 C#CCNOCC1=CC=CC=C1 Z1251328742 [0,2,0,0,0,0|1,0,1]=4 715 B12R1.8 C=CCNCCC1=CC=CC=C1 Z90513756 [0,2,0,0,0,0|2,0,0]=4 716 B12R1.8 CCOCCNC1=CC=CC=C1 Z5256735719 [0,2,0,0,0,0|1,0,1]=4 717 B12R1.8 N#CCCOCC1=CC=CC=C1 Z317037710 [0,2,0,0,0,0|1,0,1]=4 718 B12R1.8 NCCCOCC1=CC=CC=C1 Z104377938 [0,2,0,0,0,0|1,0,1]=4 719 B12R1.8 NCCOCCC1=CC=CC=C1 Z1270210787 [0,2,0,0,0,0|1,0,1]=4 720 B12R1.8 O=CCCCOC1=CC=CC=C1 Z993017686 [0,2,0,0,0,0|1,0,0]=3 721 B12R1.8 OCCCOCC1=CC=CC=C1 Z1080358454 [0,2,0,0,0,0|0,0,2]=4 722 B12R1.27 C#CC(=O)CCC1=CC=CC=C1 Z1266856412 [0,2,0,0,0,0|1,0,0]=3 723 B12R1.27 C#CC(=O)NCC1=CC=CC=C1 Z1509142729 [0,2,0,0,0,0|1,0,0]=3 724 B12R1.27 C#CC(=O)OCC1=CC=CC=C1 Z1255365960 [0,2,0,0,0,0|0,0,0]=2 725 B12R1.27 C=C(C=O)OCC1=CC=CC=C1 Z1198183530 [0,2,0,0,0,0|0,0,0]=2 726 B12R1.27 C=CC(=O)NCC1=CC=CC=C1 Z56757233 [0,2,0,0,0,0|1,0,0]=3 727 B12R1.27 CC(C=O)CCC1=CC=CC=C1 Z1238838034 [0,2,0,0,0,0|1,0,0]=3 728 B12R1.27 CC(CO)OCC1=CC=CC=C1 Z1492906786 [0,2,0,0,0,0|0,0,2]=4 729 B12R1.27 CN(CCC1=CC=CC=C1)N=O Z3965372830 [0,2,0,0,0,0|2,0,0]=4 730 B12R1.27 CNC(=O)CCC1=CC=CC=C1 Z32016418 [0,2,0,0,0,0|1,0,0]=3 731 B12R1.27 CNC(=O)COC1=CC=CC=C1 Z19735428 [0,2,0,0,0,0|2,0,0]=4 732 B12R1.27 CNC(=O)CSC1=CC=CC=C1 Z19750829 [0,2,0,0,0,0|2,0,0]=4 733 B12R1.27 CNC(=O)OCC1=CC=CC=C1 Z32016983 [0,2,0,0,0,0|0,0,0]=2 734 B12R1.27 COC(=O)/C=C/C1=CC=CC=C1 Z19782655 [0,2,0,0,0,0|1,0,1]=4 735 B12R1.27 COC(=O)CCC1=CC=CC=C1 Z18264384 [0,2,0,0,0,0|1,0,0]=3 736 B12R1.27 COC(=O)CCC1=CC=NC=C1 Z1198171999 [0,2,0,0,0,0|2,0,0]=4 737 B12R1.27 COC(=O)CCC1=CN=CC=C1 Z1069406844 [0,2,0,0,0,0|2,0,0]=4 738 B12R1.27 COC(=O)CNC1=CC=CC=C1 Z1250132387 [0,2,0,0,0,0|2,0,0]=4 739 B12R1.27 COC(=O)NNC1=CC=CC=C1 Z56755853 [0,2,0,0,0,0|2,0,0]=4 740 B12R1.27 N/C(=N\O)/CCC1=CC=CC=C1 Z285132818 [0,2,0,0,0,0|1,0,1]=4 741 B12R1.27 NCC(=O)CCC1=CC=CC=C1 Z3719299469 [0,2,0,0,0,0|1,0,0]=3 742 B12R1.27 NCC(=O)NCC1=CC=CC=C1 Z398557160 [0,2,0,0,0,0|1,0,0]=3 743 B12R1.27 NCC(=O)NCC1=CC=NC=C1 Z1262246178 [0,2,0,0,0,0|2,0,0]=4 744 B12R1.27 NCC(=O)OCC1=CC=CC=C1 Z56904671 [0,2,0,0,0,0|0,0,0]=2 745 B12R1.27 NNC(=O)CNC1=CC=CC=C1 Z56886393 [0,2,0,0,0,0|2,0,0]=4 746 B12R1.27 NNC(=S)NCC1=CC=CC=C1 Z56828396 [0,2,0,0,0,0|1,1,0]=4 747 B12R1.27 O=C(CCl)CCC1=CC=CC=C1 Z1255432257 [0,2,0,0,0,0|1,0,0]=3 748 B12R1.27 O=C(CCl)COC1=CC=CC=C1 Z1255416714 [0,2,0,0,0,0|2,0,0]=4 749 B12R1.27 O=C(CCl)NCC1=CC=CC=C1 Z56896328 [0,2,0,0,0,0|1,0,0]=3 750 B12R1.27 O=C(CCl)NCC1=CN=CC=C1 Z1787158603 [0,2,0,0,0,0|2,0,0]=4 751 B12R1.27 O=C(CCl)NCC1=NC=CC=C1 Z1954802789 [0,2,0,0,0,0|2,0,0]=4 752 B12R1.27 O=C(CO)NCC1=CC=CC=C1 Z228585446 [0,2,0,0,0,0|1,0,0]=3 753 B12R1.252 CC(=O)CCCC1=CN=CC=C1 Z1255405032 [0,2,0,0,0,0|2,0,0]=4 754 B12R1.252 CC(=O)NCCC1=CC=CC=C1 Z27761567 [0,2,0,0,0,0|1,0,0]=3 755 B12R1.252 CC(=O)NCCC1=CC=NC=C1 Z1198165525 [0,2,0,0,0,0|2,0,0]=4 756 B12R1.252 CC(=O)NCCC1=NC=CC=C1 Z32445986 [0,2,0,0,0,0|2,0,0]=4 757 B12R1.252 CC(=O)NNCC1=CC=CC=C1 Z1726022904 [0,2,0,0,0,0|1,0,0]=3 758 B12R1.252 CC(N)COCC1=CC=CC=C1 Z271012730 [0,2,0,0,0,0|1,0,1]=4 759 B12R1.252 N=C(N)COCC1=CC=CC=C1 Z2574925846 [0,2,0,0,0,0|1,0,0]=3 760 B12R1.252 N=C(N)CSCC1=CC=CC=C1 Z1795818268 [0,2,0,0,0,0|1,1,0]=4 761 B12R1.252 NC(=O)CCNC1=CC=CC=C1 Z154666194 [0,2,0,0,0,0|1,0,0]=3 762 B12R1.252 NC(=O)CCOC1=CC=CC=C1 Z33545291 [0,2,0,0,0,0|1,0,0]=3 763 B12R1.252 NC(=O)CCSC1=CC=CC=C1 Z33547211 [0,2,0,0,0,0|1,0,0]=3 764 B12R1.252 NC(=O)CNCC1=CC=CC=C1 Z90608463 [0,2,0,0,0,0|1,0,0]=3 765 B12R1.252 NC(=O)CNCC1=CN=CC=C1 Z1695669950 [0,2,0,0,0,0|2,0,0]=4 766 B12R1.252 NC(=O)COCC1=CC=CC=C1 Z52214418 [0,2,0,0,0,0|0,0,0]=2 767 B12R1.252 NC(=O)NCCC1=CC=CC=C1 Z198194788 [0,2,0,0,0,0|1,0,0]=3 768 B12R1.252 NC(=O)NCCC1=CN=CC=C1 Z432778234 [0,2,0,0,0,0|2,0,0]=4 769 B12R1.252 NC(=O)NCCC1=NC=CC=C1 Z198194814 [0,2,0,0,0,0|2,0,0]=4 770 B12R1.252 NC(=O)NOCC1=CC=CC=C1 Z56787772 [0,2,0,0,0,0|0,0,0]=2 771 B12R1.252 NC(=S)NCCC1=CC=CC=C1 Z56933803 [0,2,0,0,0,0|1,1,0]=4 772 B12R1.252 O=C(O)/C=C/SC1=CC=CC=C1 Z104378002 [0,2,0,0,0,0|1,0,1]=4 773 B12R1.252 O=C(O)CC#CC1=CC=CC=C1 Z976639296 [0,2,0,0,0,0|1,0,1]=4 774 B12R1.252 O=C(O)CCCC1=CC=CC=C1 Z234895119 [0,2,0,0,0,0|1,0,0]=3 775 B12R1.252 O=C(O)CCCC1=CC=NC=C1 Z2106608658 [0,2,0,0,0,0|2,0,0]=4 776 B12R1.252 O=C(O)CCCC1=NC=CC=C1 Z1259273117 [0,2,0,0,0,0|2,0,0]=4 777 B12R1.252 O=C(O)CCNC1=CC=CC=C1 Z56899128 [0,2,0,0,0,0|1,0,0]=3 778 B12R1.252 O=C(O)CCNC1=NC=CC=C1 Z285820166 [0,2,0,0,0,0|2,0,0]=4 779 B12R1.252 O=C(O)CCOC1=CC=CC=C1 Z56854475 [0,2,0,0,0,0|1,0,0]=3 780 B12R1.252 O=C(O)CCOC1=CN=CC=C1 Z336080826 [0,2,0,0,0,0|2,0,0]=4 781 B12R1.252 O=C(O)CCSC1=CC=CC=C1 Z56821538 [0,2,0,0,0,0|1,0,0]=3 782 B12R1.252 O=C(O)CCSC1=NC=CC=C1 Z102927312 [0,2,0,0,0,0|2,0,0]=4 783 B12R1.252 O=C(O)CNCC1=CN=CC=C1 Z372854000 [0,2,0,0,0,0|2,0,0]=4 784 B12R1.252 O=C(O)CNCC1=NC=CC=C1 Z1259041052 [0,2,0,0,0,0|2,0,0]=4 785 B12R1.252 O=C(O)COCC1=CC=NC=C1 Z1262561205 [0,2,0,0,0,0|1,0,0]=3 786 B12R1.252 O=C(O)COCC1=CN=CC=C1 Z1262555665 [0,2,0,0,0,0|1,0,0]=3 787 B12R1.252 O=C(O)COCC1=NC=CC=C1 Z1262528420 [0,2,0,0,0,0|1,0,0]=3 788 B12R1.252 O=C(O)CSCC1=CC=CC=C1 Z19691777 [0,2,0,0,0,0|0,1,0]=3 789 B12R1.252 O=C(O)CSCC1=CC=NC=C1 Z228589362 [0,2,0,0,0,0|1,1,0]=4 790 B12R1.252 O=C(O)CSCC1=CN=CC=C1 Z228589228 [0,2,0,0,0,0|1,1,0]=4 791 B12R1.252 O=C(O)CSCC1=NC=CC=C1 Z228589018 [0,2,0,0,0,0|1,1,0]=4 792 B12R1.43 C/C(=C\C1=CC=CC=C1)/C(=O)O Z2980228149 [0,2,0,0,0,0|1,0,1]=4 793 B12R1.43 CC(=O)C(N)CC1=CC=CC=C1 Z90124995 [0,2,0,0,0,0|1,0,0]=3 794 B12R1.43 CC(=O)N(C)CC1=CN=CC=C1 Z27006526 [0,2,0,0,0,0|2,0,0]=4 795 B12R1.43 CC(CC1=CC=CC=C1)C(=O)O Z513624710 [0,2,0,0,0,0|1,0,0]=3 796 B12R1.43 CC(CC1=CC=NC=C1)C(=O)O Z3477804988 [0,2,0,0,0,0|2,0,0]=4 797 B12R1.43 CC(NC1=CC=CC=C1)C(=O)O Z57982184 [0,2,0,0,0,0|2,0,0]=4 798 B12R1.43 CC(OC1=CC=CC=C1)C(=O)O Z57825333 [0,2,0,0,0,0|2,0,0]=4 799 B12R1.43 CC(SC1=CC=CC=C1)C(=O)N Z19751098 [0,2,0,0,0,0|2,0,0]=4 800 B12R1.43 CC(SC1=CC=CC=C1)C(=O)O Z90122656 [0,2,0,0,0,0|2,0,0]=4 801 B12R1.43 CN(CC1=CC=CC=C1)C(=O)N Z198194348 [0,2,0,0,0,0|1,0,0]=3 802 B12R1.43 CN(CC1=CC=CC=C1)C(=S)N Z228582754 [0,2,0,0,0,0|1,1,0]=4 803 B12R1.43 CN(CC1=NC=CC=C1)C(=O)N Z431977624 [0,2,0,0,0,0|2,0,0]=4 804 B12R1.43 C[C@@H](CC1=CC=CC=C1)C(=O)O Z1262510261 [0,2,0,0,0,0|1,0,0]=3 805 B12R1.43 NC(=O)C(N)CC1=CC=CC=C1 Z317075516 [0,2,0,0,0,0|1,0,0]=3 806 B12R1.43 NC(=O)C(N)CC1=NC=CC=C1 Z4981909244 [0,2,0,0,0,0|2,0,0]=4 807 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 Z760046820 [0,2,0,0,0,0|1,0,0]=3 808 B12R1.43 NC(=O)[C@H](N)CC1=CC=CC=C1 Z933616656 [0,2,0,0,0,0|1,0,0]=3 809 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O Z57127433 [0,2,0,0,0,0|1,0,0]=3 810 B12R1.43 NC(CC1=CC=NC=C1)C(=O)O Z1675026076 [0,2,0,0,0,0|2,0,0]=4 811 B12R1.43 NC(CC1=CN=CC=C1)C(=O)O Z3235906342 [0,2,0,0,0,0|2,0,0]=4 812 B12R1.43 NC(CC1=NC=CC=C1)C(=O)O Z3235025558 [0,2,0,0,0,0|2,0,0]=4 813 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O Z756430566 [0,2,0,0,0,0|1,0,0]=3 814 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O Z933646062 [0,2,0,0,0,0|1,0,0]=3 815 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 Z285151774 [0,2,0,0,0,0|1,0,0]=3 816 B12R1.43 O=C(O)C(=O)NC1=CC=CC=C1 Z362848468 [0,2,0,0,0,0|2,0,0]=4 817 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 Z788000648 [0,2,0,0,0,0|1,0,0]=3 818 B12R1.43 O=C(O)C(O)CC1=NC=CC=C1 Z3486862716 [0,2,0,0,0,0|2,0,0]=4 819 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 Z1255386695 [0,2,0,0,0,0|1,0,0]=3 820 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 Z1255364914 [0,2,0,0,0,0|1,0,0]=3 821 B12R1.118 CCN(CC1=CC=CC=C1)N=O Z1198158367 [0,2,0,0,0,0|2,0,0]=4 822 B12R1.118 COC(C=O)CC1=CC=CC=C1 Z1511872212 [0,2,0,0,0,0|1,0,0]=3 823 B12R1.194 CC(C)(C=O)CC1=CC=CC=C1 Z1188488760 [0,2,0,0,0,0|1,0,0]=3 824 B12R1.194 CC(C)(C=O)OC1=CC=CC=C1 Z1511766557 [0,2,0,0,0,0|2,0,0]=4 825 B12R1.891 CS(=O)(=O)NCC1=CC=CC=C1 Z53825161 [0,2,0,0,0,0|2,0,0]=4 826 B12R1.891 NS(=O)(=O)CCC1=CC=CC=C1 Z57965898 [0,2,0,0,0,0|2,0,0]=4 827 B12R1.891 NS(=O)(=O)NCC1=CC=CC=C1 Z300098430 [0,2,0,0,0,0|2,0,0]=4 828 B12R1.891 O=S(=O)(F)CCC1=CC=CC=C1 Z1258763618 [0,2,0,0,0,0|2,0,0]=4 829 B10R2.6 C1=CC(=CC=N1)C2CO2 Z1187818726 [1,0,0,1,0,0|1,0,1]=4 830 B10R2.6 C1=CC(=CN=C1)C2CO2 Z1187818722 [1,0,0,1,0,0|1,0,1]=4 831 B10R2.6 C1=CC=C(C=C1)C2CO2 Z104486008 [1,0,0,1,0,0|0,0,1]=3 832 B10R2.6 C1=CC=C(C=C1)[C@@H]2CO2 Z1255356265 [1,0,0,1,0,0|0,0,1]=3 833 B10R2.6 C1=CC=C(C=C1)[C@H]2CO2 Z1255390768 [1,0,0,1,0,0|0,0,1]=3 834 B10R2.6 C1=CN=C(C=C1)C2CO2 Z1187818707 [1,0,0,1,0,0|1,0,1]=4 835 B10R2.7 C1=CC2=C(C=C1)CC=C2 Z104476162 [1,0,0,1,0,0|1,0,0]=3 836 B10R2.7 C1=CC2=C(C=C1)CNC2 Z1263820391 [1,0,0,1,0,0|1,0,1]=4 837 B10R2.7 C1=CC2=C(C=C1)COC2 Z839134770 [1,0,0,1,0,0|0,0,1]=3 838 B10R2.7 C1=CC2=C(C=C1)NC=C2 Z57833933 [1,0,0,1,0,0|1,0,1]=4 839 B10R2.7 C1=CC2=C(C=C1)NC=N2 Z57069879 [1,0,0,1,0,0|2,0,0]=4 840 B10R2.7 C1=CC2=C(C=C1)NCC2 Z104475582 [1,0,0,1,0,0|1,0,1]=4 841 B10R2.7 C1=CC2=C(C=C1)NN=C2 Z276614452 [1,0,0,1,0,0|2,0,0]=4 842 B10R2.7 C1=CC2=C(C=C1)OC=C2 Z56347207 [1,0,0,1,0,0|1,0,0]=3 843 B10R2.7 C1=CC2=C(C=C1)OCC2 Z104505448 [1,0,0,1,0,0|0,0,2]=4 844 B10R2.7 C1=CC2=C(C=C1)ON=C2 Z220335556 [1,0,0,1,0,0|2,0,0]=4 845 B10R2.7 C1=CC2=C(C=C1)SC=C2 Z370711590 [1,0,0,1,0,0|0,1,1]=4 846 B10R2.7 C1=CC2=C(C=C1)SC=N2 Z104472964 [1,0,0,1,0,0|1,1,0]=4 847 B10R2.7 C1=CC2=C(C=CO2)N=C1 Z2831987589 [1,0,0,1,0,0|2,0,0]=4 848 B10R2.320 NC1CC2=C1C=CC=C2 Z1918018858 [1,0,0,1,0,0|1,0,1]=4 849 B10R2.32 O=C1CCC2=C1C=CS2 Z57085550 [0,0,0,1,1,0|2,0,0]=4 850 B10R2.32 O=C1CCC2=CNC=C12 Z1198165845 [0,0,0,1,1,0|2,0,0]=4 851 B10R2.32 O=C1CCN2C1=CC=C2 Z89270868 [0,0,0,1,1,0|2,0,0]=4 852 B12R2.24 NC1=NC2=C(C=CC=C2)CS1 Z1198725303 [0,1,0,1,0,0|1,1,0]=4 853 B12R2.24 O=C1C=C2C=CC=CC2=CN1 Z1203731786 [0,1,0,1,0,0|1,0,1]=4 854 B12R2.24 O=C1C=CC2=C(N1)C=CC=C2 Z57473020 [0,1,0,1,0,0|1,0,1]=4 855 B12R2.24 O=C1C=CC2=C(O1)C=CC=C2 Z57169486 [0,1,0,1,0,0|1,0,1]=4 856 B12R2.24 O=C1C=NC2=C(N1)C=CC=C2 Z56824051 [0,1,0,1,0,0|2,0,0]=4 857 B12R2.24 O=C1CC2=C(C=CC=C2)CN1 Z1201622353 [0,1,0,1,0,0|1,0,0]=3 858 B12R2.24 O=C1CC2=C(C=CC=C2)CO1 Z1255486033 [0,1,0,1,0,0|0,0,0]=2 859 B12R2.24 O=C1CCC2=C(C1)C=CC=C2 Z104495562 [0,1,0,1,0,0|1,0,0]=3 860 B12R2.24 O=C1CCC2=C(N1)C=CC=C2 Z85917566 [0,1,0,1,0,0|1,0,0]=3 861 B12R2.24 O=C1CCC2=C(O1)C=CC=C2 Z586249466 [0,1,0,1,0,0|1,0,0]=3 862 B12R2.24 O=C1CNC2=C(N1)C=CC=C2 Z56990723 [0,1,0,1,0,0|2,0,0]=4 863 B12R2.24 O=C1COC2=C(N1)C=CC=C2 Z56989567 [0,1,0,1,0,0|2,0,0]=4 864 B12R2.24 O=C1CSC2=C(N1)C=CC=C2 Z55120717 [0,1,0,1,0,0|2,0,0]=4 865 B12R2.24 O=C1N=CC2=C(N1)C=CC=C2 Z1198176626 [0,1,0,1,0,0|1,0,1]=4 866 B12R2.24 O=C1NC2=C(C=CC=C2)CO1 Z1198157416 [0,1,0,1,0,0|0,0,0]=2 867 B12R2.24 O=C1NCC2=C(N1)C=NC=C2 Z4560521307 [0,1,0,1,0,0|2,0,0]=4 868 B12R2.24 O=C1NCC2=C(O1)C=CC=C2 Z1198723657 [0,1,0,1,0,0|1,0,0]=3 869 B12R2.24 OC1=CC2=C(C=C1)CCOC2 Z1551961557 [0,1,0,1,0,0|1,0,1]=4 870 B12R2.24 OC1=CC2=C(C=C1)COCC2 Z1255359696 [0,1,0,1,0,0|1,0,1]=4 871 B12R2.24 S=C1NC2=C(C=CC=C2)CS1 Z367678726 [0,1,0,1,0,0|0,2,0]=4 872 B12R2.79 C[C@@H]1O[C@H]1C2=CC=C(C=C2)Cl Z3074487523 [0,1,0,1,0,0|1,0,1]=4 873 B12R2.79 C[C@@H]1O[C@H]1C2=CC=C(C=C2)F Z2527567177 [0,1,0,1,0,0|1,0,1]=4 874 B12R2.132 CC1=CC2=C(C=C1)CCC2=O Z814904824 [0,1,0,1,0,0|1,0,0]=3 875 B12R2.132 CC1=CC2=C(C=C1)COB2O Z1939443826 [0,1,0,1,0,0|1,0,1]=4 876 B12R2.132 CC1=CC2=C(C=C1)COC2=O Z1255391985 [0,1,0,1,0,0|0,0,0]=2 877 B12R2.132 NC1=CC2=C(C=C1)CCC2=O Z1201619096 [0,1,0,1,0,0|1,0,0]=3 878 B12R2.132 NC1=CC2=C(C=C1)CNC2=O Z234898249 [0,1,0,1,0,0|1,0,0]=3 879 B12R2.132 NC1=CC2=C(C=C1)COB2O Z2301239359 [0,1,0,1,0,0|1,0,1]=4 880 B12R2.132 NC1=CC2=C(C=C1)COC2=O Z276599558 [0,1,0,1,0,0|0,0,0]=2 881 B12R2.132 O=C1CCC2=C1C=C(C=C2)F Z814904728 [0,1,0,1,0,0|1,0,0]=3 882 B12R2.132 O=C1CCC2=C1C=C(C=C2)I Z1269230336 [0,1,0,1,0,0|1,0,0]=3 883 B12R2.132 O=C1CCC2=C1N=C(C=C2)Br Z1269185023 [0,1,0,1,0,0|2,0,0]=4 884 B12R2.132 O=C1CCC2=C1N=C(C=C2)Cl Z1255439731 [0,1,0,1,0,0|2,0,0]=4 885 B12R2.132 O=C1COC2=C1C=C(C=C2)Cl Z334863058 [0,1,0,1,0,0|2,0,0]=4 886 B12R2.132 O=C1COC2=C1C=C(C=C2)F Z334863052 [0,1,0,1,0,0|2,0,0]=4 887 B12R2.132 O=C1NCC2=C1C=C(C=C2)Br Z1269144955 [0,1,0,1,0,0|1,0,0]=3 888 B12R2.132 O=C1NCC2=C1C=C(C=C2)Cl Z1198176504 [0,1,0,1,0,0|1,0,0]=3 889 B12R2.132 O=C1NCC2=C1C=C(C=C2)F Z1198221016 [0,1,0,1,0,0|1,0,0]=3 890 B12R2.132 O=C1NCC2=C1C=C(C=C2)I Z1269110301 [0,1,0,1,0,0|1,0,0]=3 891 B12R2.132 O=C1NCC2=C1C=C(C=C2)O Z1198177071 [0,1,0,1,0,0|1,0,0]=3 892 B12R2.132 O=C1NCC2=C1N=C(C=C2)Cl Z1255453368 [0,1,0,1,0,0|2,0,0]=4 893 B12R2.132 O=C1NCC2=CN=C(C=C12)Cl Z1551924729 [0,1,0,1,0,0|2,0,0]=4 894 B12R2.132 O=C1OCC2=C1C=C(C=C2)Br Z1258932820 [0,1,0,1,0,0|0,0,0]=2 895 B12R2.132 O=C1OCC2=C1C=C(C=C2)F Z1198309551 [0,1,0,1,0,0|0,0,0]=2 896 B12R2.132 O=C1OCC2=C1C=C(C=C2)O Z1198181162 [0,1,0,1,0,0|0,0,0]=2 897 B12R2.132 O=C1OCC2=C1N=C(C=C2)Cl Z1551954983 [0,1,0,1,0,0|1,0,0]=3 898 B12R2.132 OB1OCC2=C1C=C(C=C2)Cl Z1504688024 [0,1,0,1,0,0|1,0,1]=4 899 B12R2.132 OB1OCC2=C1C=C(C=C2)F Z1198279577 [0,1,0,1,0,0|1,0,1]=4 900 B12R2.132 OB1OCC2=C1C=C(C=C2)O Z1513809260 [0,1,0,1,0,0|1,0,1]=4 901 B12R2.2 C1=CC=C(C=C1)C2=CN=CO2 Z1201618668 [0,1,0,1,0,0|1,0,1]=4 902 B12R2.2 C1=CC=C(C=C1)C2=NN=CO2 Z55670800 [0,1,0,1,0,0|1,0,1]=4 903 B12R2.22 O=C1CC(C1)C2=CC=CC=C2 Z336080338 [0,1,0,1,0,0|1,0,0]=3 904 B12R2.22 O=C1CC(N1)C2=CC=CC=C2 Z367677412 [0,1,0,1,0,0|1,0,0]=3 905 B12R2.27 O=C[C@@H]1C[C@H]1C2=CC=CC=C2 Z2298064271 [0,1,0,1,0,0|1,0,0]=3 906 B12R2.27 OCC1OC1C2=CC=CC=C2 Z1509054538 [0,1,0,1,0,0|0,0,2]=4 907 B12R2.1081 NC1=C2CCOCC2=CC=C1 Z3398761712 [0,1,0,1,0,0|1,0,1]=4 908 B12R2.1081 NC1COCC2=C1C=CC=C2 Z1198178449 [0,1,0,1,0,0|1,0,1]=4 909 B12R2.1081 O=C1C=COC2=C1C=CC=C2 Z1218937140 [0,1,0,1,0,0|1,0,1]=4 910 B12R2.1081 O=C1CCCC2=C1C=CC=C2 Z104477014 [0,1,0,1,0,0|1,0,0]=3 911 B12R2.1081 O=C1CCCC2=C1C=CC=N2 Z1201621685 [0,1,0,1,0,0|2,0,0]=4 912 B12R2.1081 O=C1CCCC2=C1N=CC=C2 Z1201622535 [0,1,0,1,0,0|2,0,0]=4 913 B12R2.1081 O=C1CCC[N+]2=C1C=CC=C2 Z1269112409 [0,1,0,1,0,0|2,0,0]=4 914 B12R2.1081 O=C1CCNC2=C1C=CC=C2 Z1492781321 [0,1,0,1,0,0|1,0,0]=3 915 B12R2.1081 O=C1CCOC2=C1C=CC=C2 Z85920466 [0,1,0,1,0,0|1,0,0]=3 916 B12R2.1081 O=C1CCOC2=C1C=CC=N2 Z1198233082 [0,1,0,1,0,0|2,0,0]=4 917 B12R2.1081 O=C1CCSC2=C1C=CC=C2 Z56914832 [0,1,0,1,0,0|1,0,0]=3 918 B12R2.1081 O=C1COCC2=C1C=CC=C2 Z1201625145 [0,1,0,1,0,0|0,0,0]=2 919 B12R2.1081 O=C1NC=CC2=C1C=CC=C2 Z56960237 [0,1,0,1,0,0|1,0,1]=4 920 B12R2.1081 O=C1NC=NC2=C1C=CC=C2 Z56862715 [0,1,0,1,0,0|1,0,1]=4 921 B12R2.1081 O=C1NCCC2=C1C=CC=C2 Z56801375 [0,1,0,1,0,0|1,0,0]=3 922 B12R2.1081 O=C1NCCC2=C1C=NC=C2 Z3513877919 [0,1,0,1,0,0|2,0,0]=4 923 B12R2.1081 O=C1NN=CC2=C1C=CC=C2 Z48957540 [0,1,0,1,0,0|1,0,1]=4 924 B12R2.1081 O=C1NN=NC2=C1C=CC=C2 Z56943376 [0,1,0,1,0,0|2,0,0]=4 925 B12R2.1081 O=C1OC=CC2=C1C=CC=C2 Z1198175817 [0,1,0,1,0,0|0,0,1]=3 926 B12R2.1081 O=C1OC=CC2=C1N=CC=C2 Z1127388775 [0,1,0,1,0,0|1,0,1]=4 927 B12R2.1081 O=S1CCNC2=C1C=CC=C2 Z217166136 [0,1,0,1,0,0|2,0,0]=4 928 B12R2.1081 OB1OCCC2=C1C=CC=C2 Z1201624582 [0,1,0,1,0,0|1,0,1]=4 929 B12R2.1081 OC1=C2CCOCC2=CC=C1 Z1255506128 [0,1,0,1,0,0|1,0,1]=4 930 B12R2.1081 OC1COCC2=C1C=CC=C2 Z1255366473 [0,1,0,1,0,0|0,0,2]=4 931 B12R2.2028 CC1CC(=O)C2=C1C=CC=C2 Z335243948 [0,1,0,1,0,0|1,0,0]=3 932 B12R2.2028 CC1OB(C2=C1C=CC=C2)O Z1939448686 [0,1,0,1,0,0|1,0,1]=4 933 B12R2.2028 CN1NC(=O)C2=C1C=CC=C2 Z1255452290 [0,1,0,1,0,0|2,0,0]=4 934 B12R2.2028 C[C@@H]1OB(C2=C1C=CC=C2)O Z5065219956 [0,1,0,1,0,0|1,0,1]=4 935 B12R2.2028 C[C@H]1OB(C2=C1C=CC=C2)O Z5777881779 [0,1,0,1,0,0|1,0,1]=4 936 B12R2.2028 NC1=NC(=O)C2=C1C=CC=C2 Z316121514 [0,1,0,1,0,0|1,0,1]=4 937 B12R2.2028 O=C1CC(=O)C2=C1C=CC=C2 Z57131040 [0,1,0,1,0,0|1,0,1]=4 938 B12R2.2028 O=C1NC(=O)C2=C1C=CC=C2 Z57127356 [0,1,0,1,0,0|1,0,1]=4 939 B12R2.2028 O=C1OC(=O)C2=C1C=CC=N2 Z235344909 [0,1,0,1,0,0|1,0,1]=4 940 B12R2.2028 O=C1OC(C2=C1C=CC=C2)O Z104507040 [0,1,0,1,0,0|0,0,0]=2 941 B12R2.32 O=CC1=CC2=C(N1)C=CC=C2 Z1203160203 [0,1,0,1,0,0|1,0,1]=4 942 B12R2.32 O=CC1=CC2=C(O1)C=CC=C2 Z147641868 [0,1,0,1,0,0|1,0,1]=4 943 B12R2.32 O=CC1=CC2=C(S1)C=CC=C2 Z1741961424 [0,1,0,1,0,0|1,0,1]=4 944 B12R2.32 O=CC1=NC2=C(N1)C=CC=C2 Z57114985 [0,1,0,1,0,0|2,0,0]=4 945 B12R2.32 O=CC1=NC2=C(O1)C=CC=C2 Z1198162173 [0,1,0,1,0,0|2,0,0]=4 946 B12R2.32 O=CC1=NC2=C(S1)C=CC=C2 Z276151160 [0,1,0,1,0,0|2,0,0]=4 947 B12R2.32 O=CC1CC2=C(C1)C=CC=C2 Z1255436588 [0,1,0,1,0,0|1,0,0]=3 948 B12R2.32 O=CN1CC2=C(C1)C=CC=C2 Z1216818057 [0,1,0,1,0,0|1,0,0]=3 949 B12R2.32 O=NN1CC2=C(C1)C=CC=C2 Z1726150542 [0,1,0,1,0,0|2,0,0]=4 950 B12R2.196 CC1=C2CCC(=O)C2=CC=C1 Z334686316 [0,1,0,1,0,0|1,0,0]=3 951 B12R2.196 CC1=C2CNC(=O)C2=NC=C1 Z3487099841 [0,1,0,1,0,0|2,0,0]=4 952 B12R2.196 CC1=C2COB(C2=CC=C1)O Z1879982577 [0,1,0,1,0,0|1,0,1]=4 953 B12R2.196 NC1=C2CCC(=O)C2=CC=C1 Z5097408049 [0,1,0,1,0,0|1,0,0]=3 954 B12R2.196 NC1=C2CNC(=O)C2=CC=C1 Z1198176565 [0,1,0,1,0,0|1,0,0]=3 955 B12R2.196 NC1=C2COB(C2=CC=C1)O Z1504679894 [0,1,0,1,0,0|1,0,1]=4 956 B12R2.196 NC1=C2COC(=O)C2=CC=C1 Z1198164599 [0,1,0,1,0,0|0,0,0]=2 957 B12R2.196 O=C1CCC2=C(C=CC=C12)Br Z334686326 [0,1,0,1,0,0|1,0,0]=3 958 B12R2.196 O=C1CCC2=C(C=CC=C12)Cl Z234895081 [0,1,0,1,0,0|1,0,0]=3 959 B12R2.196 O=C1CCC2=C(C=CC=C12)F Z334686322 [0,1,0,1,0,0|1,0,0]=3 960 B12R2.196 O=C1CCC2=C(C=CC=C12)O Z203881856 [0,1,0,1,0,0|1,0,0]=3 961 B12R2.196 O=C1CCC2=C(C=NC=C12)Br Z1813159593 [0,1,0,1,0,0|2,0,0]=4 962 B12R2.196 O=C1CCN2C1=CC=CC2=O Z1513611304 [0,1,0,1,0,0|2,0,0]=4 963 B12R2.196 O=C1COC2=C(C=CC=C12)Br Z334863098 [0,1,0,1,0,0|2,0,0]=4 964 B12R2.196 O=C1COC2=C(C=CC=C12)Cl Z334863094 [0,1,0,1,0,0|2,0,0]=4 965 B12R2.196 O=C1NCC2=C(C=CC=C12)Br Z1258930120 [0,1,0,1,0,0|1,0,0]=3 966 B12R2.196 O=C1NCC2=C(C=CC=C12)Cl Z1198221042 [0,1,0,1,0,0|1,0,0]=3 967 B12R2.196 O=C1NCC2=C(C=CC=C12)F Z1255380598 [0,1,0,1,0,0|1,0,0]=3 968 B12R2.196 O=C1NCC2=C(C=CC=C12)O Z1741980680 [0,1,0,1,0,0|1,0,0]=3 969 B12R2.196 O=C1NCC2=C(C=CN=C12)Br Z1813082465 [0,1,0,1,0,0|2,0,0]=4 970 B12R2.196 O=C1NCC2=C(C=CN=C12)Cl Z1813149947 [0,1,0,1,0,0|2,0,0]=4 971 B12R2.196 O=C1NCC2=C(N=CC=C12)Cl Z1813090473 [0,1,0,1,0,0|2,0,0]=4 972 B12R2.196 OB1OCC2=C(C=CC=C12)Cl Z1898770027 [0,1,0,1,0,0|1,0,1]=4 973 B12R2.196 OB1OCC2=C(C=CC=C12)F Z1862025387 [0,1,0,1,0,0|1,0,1]=4 974 B12R2.196 OB1OCC2=C(C=CC=C12)O Z1513908647 [0,1,0,1,0,0|1,0,1]=4 975 B12R2.80 C[C@@H]1O[C@H]1C2=CC(=CC=C2)Cl Z2525216417 [0,1,0,1,0,0|1,0,1]=4 976 B12R2.203 CC1=C2B(OCC2=CC=C1)O Z1504680871 [0,1,0,1,0,0|1,0,1]=4 977 B12R2.203 CC1=C2C(=O)CCC2=CC=C1 Z1255399735 [0,1,0,1,0,0|1,0,0]=3 978 B12R2.203 NC1=C2C(=O)NCC2=CC=C1 Z234893819 [0,1,0,1,0,0|1,0,0]=3 979 B12R2.203 O=C1CCC2=CC=CC(=C12)F Z1201624056 [0,1,0,1,0,0|1,0,0]=3 980 B12R2.203 O=C1CCC2=CC=CC(=C12)O Z1255416018 [0,1,0,1,0,0|1,0,0]=3 981 B12R2.203 O=C1COC2=CC=CC(=C12)Cl Z1255379841 [0,1,0,1,0,0|2,0,0]=4 982 B12R2.203 O=C1COC2=CC=CC(=C12)F Z1198342984 [0,1,0,1,0,0|2,0,0]=4 983 B12R2.203 O=C1NCC2=CC=CC(=C12)Br Z1269173290 [0,1,0,1,0,0|1,0,0]=3 984 B12R2.203 O=C1NCC2=CC=CC(=C12)Cl Z1198221040 [0,1,0,1,0,0|1,0,0]=3 985 B12R2.203 O=C1NCC2=CC=CC(=C12)O Z1203833101 [0,1,0,1,0,0|1,0,0]=3 986 B12R2.203 O=C1NCC2=NC=CC(=C12)Br Z2044752853 [0,1,0,1,0,0|2,0,0]=4 987 B12R2.203 O=C1NNC2=CC=CC(=C12)Br Z1269126740 [0,1,0,1,0,0|2,0,0]=4 988 B12R2.203 O=C1NNC2=CC=CC(=C12)Cl Z1098880205 [0,1,0,1,0,0|2,0,0]=4 989 B12R2.203 O=C1NSC2=CC=CC(=C12)Br Z3002992543 [0,1,0,1,0,0|2,0,0]=4 990 B12R2.203 OB1OCC2=C1C(=CC=C2)F Z1504683266 [0,1,0,1,0,0|1,0,1]=4 991 B12R2.612 CC1=CC2=C(C=C1)B(OC2)O Z1504670737 [0,1,0,1,0,0|1,0,1]=4 992 B12R2.612 CC1=CC2=C(C=C1)C(=O)CC2 Z318770612 [0,1,0,1,0,0|1,0,0]=3 993 B12R2.612 CC1=CC2=C(C=C1)C(=O)CO2 Z1255397223 [0,1,0,1,0,0|2,0,0]=4 994 B12R2.612 CC1=CC2=C(C=C1)C(=O)CS2 Z1255404471 [0,1,0,1,0,0|2,0,0]=4 995 B12R2.612 CC1=CC2=C(C=C1)C(=O)NC2 Z1198184833 [0,1,0,1,0,0|1,0,0]=3 996 B12R2.612 NC1=CC2=C(C=C1)B(OC2)O Z3034936399 [0,1,0,1,0,0|1,0,1]=4 997 B12R2.612 NC1=CC2=C(C=C1)C(=O)CC2 Z57109500 [0,1,0,1,0,0|1,0,0]=3 998 B12R2.612 NC1=CC2=C(C=C1)C(=O)NC2 Z1198272534 [0,1,0,1,0,0|1,0,0]=3 999 B12R2.612 NC1=CC2=C(C=C1)C(=O)NS2 Z1262664713 [0,1,0,1,0,0|2,0,0]=4 1000 B12R2.612 NC1=CC2=C(N=C1)C(=O)NC2 Z2940236344 [0,1,0,1,0,0|2,0,0]=4 1001 B12R2.612 NC1=CC2=C(N=C1)C(=O)OC2 Z4874130121 [0,1,0,1,0,0|1,0,0]=3 1002 B12R2.612 O=C1CCC2=C1C=CC(=C2)Br Z318770638 [0,1,0,1,0,0|1,0,0]=3 1003 B12R2.612 O=C1CCC2=C1C=CC(=C2)Cl Z318770634 [0,1,0,1,0,0|1,0,0]=3 1004 B12R2.612 O=C1CCC2=C1C=CC(=C2)F Z318770630 [0,1,0,1,0,0|1,0,0]=3 1005 B12R2.612 O=C1CCC2=C1C=CC(=C2)O Z1255457932 [0,1,0,1,0,0|1,0,0]=3 1006 B12R2.612 O=C1CCC2=C1C=CC(=N2)Br Z1269178427 [0,1,0,1,0,0|2,0,0]=4 1007 B12R2.612 O=C1CCC2=C1C=CC(=N2)Cl Z1198334033 [0,1,0,1,0,0|2,0,0]=4 1008 B12R2.612 O=C1CCC2=CC(=NC=C12)Cl Z2417242924 [0,1,0,1,0,0|2,0,0]=4 1009 B12R2.612 O=C1COC2=C1C=CC(=C2)Br Z1269152090 [0,1,0,1,0,0|2,0,0]=4 1010 B12R2.612 O=C1COC2=C1C=CC(=C2)Cl Z1198169822 [0,1,0,1,0,0|2,0,0]=4 1011 B12R2.612 O=C1COC2=C1C=CC(=C2)F Z1198221984 [0,1,0,1,0,0|2,0,0]=4 1012 B12R2.612 O=C1COC2=C1C=CC(=C2)O Z111875098 [0,1,0,1,0,0|2,0,0]=4 1013 B12R2.612 O=C1NCC2=C1C=CC(=C2)Br Z1269136562 [0,1,0,1,0,0|1,0,0]=3 1014 B12R2.612 O=C1NCC2=C1C=CC(=C2)Cl Z1198176501 [0,1,0,1,0,0|1,0,0]=3 1015 B12R2.612 O=C1NCC2=C1C=CC(=C2)F Z1255503451 [0,1,0,1,0,0|1,0,0]=3 1016 B12R2.612 O=C1NCC2=C1C=CC(=C2)O Z1198272536 [0,1,0,1,0,0|1,0,0]=3 1017 B12R2.612 O=C1NCC2=C1C=CC(=N2)Cl Z1255426797 [0,1,0,1,0,0|2,0,0]=4 1018 B12R2.612 O=C1NSC2=C1C=CC(=C2)Cl Z1198155415 [0,1,0,1,0,0|2,0,0]=4 1019 B12R2.612 O=C1OCC2=C1C=CC(=C2)Cl Z1198234542 [0,1,0,1,0,0|0,0,0]=2 1020 B12R2.612 O=C1OCC2=C1C=CC(=C2)F Z1198234543 [0,1,0,1,0,0|0,0,0]=2 1021 B12R2.612 O=C1OCC2=C1C=CC(=C2)O Z1198162647 [0,1,0,1,0,0|0,0,0]=2 1022 B12R2.612 O=C1OCC2=C1C=CC(=N2)Cl Z6002904019 [0,1,0,1,0,0|1,0,0]=3 1023 B12R2.612 OB1OCC2=C1C=CC(=C2)Br Z1939445457 [0,1,0,1,0,0|1,0,1]=4 1024 B12R2.612 OB1OCC2=C1C=CC(=C2)Cl Z1198729424 [0,1,0,1,0,0|1,0,1]=4 1025 B12R2.612 OB1OCC2=C1C=CC(=C2)F Z1198279578 [0,1,0,1,0,0|1,0,1]=4 1026 B12R2.1 NCC1OCC2=C1C=CC=C2 Z2310708138 [0,1,0,1,0,0|1,0,1]=4 1027 B12R2.1 O=CC1=C2C=CC=CC2=NS1 Z1504687602 [0,1,0,1,0,0|1,1,0]=4 1028 B12R2.1 O=CC1=CNC2=C1C=CC=C2 Z56785575 [0,1,0,1,0,0|1,0,1]=4 1029 B12R2.1 O=CC1=COC2=C1C=CC=C2 Z1197879644 [0,1,0,1,0,0|1,0,1]=4 1030 B12R2.1 O=CC1=CSC2=C1C=CC=C2 Z199535912 [0,1,0,1,0,0|1,0,1]=4 1031 B12R2.1 O=CC1=NNC2=C1C=CC=C2 Z1065726010 [0,1,0,1,0,0|2,0,0]=4 1032 B12R2.1 O=CC1CCC2=C1C=CC=C2 Z1070003774 [0,1,0,1,0,0|1,0,0]=3 1033 B12R2.1 O=NN1CCC2=C1C=CC=C2 Z1198156346 [0,1,0,1,0,0|2,0,0]=4 1034 B12R2.23 O=C1CCN1C2=CC=CC=C2 Z1198221109 [0,1,0,1,0,0|1,0,0]=3 1035 B12R2.18 CC1CC2=C(C1=O)C=CC=C2 Z854042930 [0,1,0,1,0,0|1,0,0]=3 1036 B12R2.18 CN1NC2=C(C1=O)C=CC=C2 Z1255429786 [0,1,0,1,0,0|2,0,0]=4 1037 B12R2.18 NC1CC2=C(C1=O)C=CC=C2 Z1551475987 [0,1,0,1,0,0|1,0,0]=3 1038 B12R2.18 NN1CC2=C(C1=O)C=CC=C2 Z1953500024 [0,1,0,1,0,0|1,0,0]=3 1039 B12R2.18 O=C1C2=C(C=CC=C2)CC1Cl Z854067258 [0,1,0,1,0,0|1,0,0]=3 1040 B12R2.18 O=C1NC2=C(C1=O)C=CC=C2 Z57127903 [0,1,0,1,0,0|2,0,0]=4 1041 B12R2.18 O=C1SC2=C(C1=O)C=CC=C2 Z1198153623 [0,1,0,1,0,0|2,0,0]=4 1042 B12R2.92 CC1(OC1C2=CC=CC=C2)C Z1486033030 [0,1,0,1,0,0|1,0,1]=4 1043 B12R2.2403 N=S1(=O)CCC2=C1C=CC=C2 Z2514148544 [0,1,0,1,0,0|2,0,0]=4 1044 B12R2.2403 O=S1(=O)NCC2=C1C=CC=C2 Z1198162686 [0,1,0,1,0,0|2,0,0]=4 1045 B12R2.3190 N=C(N)C1CC2=C1C=CC=C2 Z1613477992 [0,1,0,1,0,0|2,0,0]=4 1046 B12R3.12 C1=CC2=C(C=C1)C3OC3C2 Z278165226 [0,0,0,2,0,0|1,0,1]=4 1047 B8R1.8 O=CCC1=CC=CO1 Z1179944709 [1,0,0,0,1,0|1,0,0]=3 1048 B8R1.8 O=CCC1=CC=CS1 Z993017816 [1,0,0,0,1,0|1,0,0]=3 1049 B8R1.8 O=CCC1=CSC=C1 Z1079442684 [1,0,0,0,1,0|1,0,0]=3