0 B11R1.40 C#CC(=O)CC1=CC=CC=C1 Z1266856334 [0,0,0,0,0,0|1,0,3]=4 1 B11R1.40 C#CC(N)CC1=CC=CC=C1 Z4167757719 [0,0,0,0,0,0|0,0,2]=2 2 B11R1.40 CC(C#N)OC1=CC=CC=C1 Z54191740 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.40 CC(C=O)CC1=CC=CC=C1 Z1198150055 [0,0,0,0,0,0|2,0,1]=3 4 B11R1.40 CC(CC1=CC=CC=C1)NN Z3033545382 [0,0,0,0,0,0|3,0,0]=3 5 B11R1.40 CC(CN)NC1=CC=CC=C1 Z1198235985 [0,0,0,0,0,0|3,0,0]=3 6 B11R1.40 CC(CN)OC1=CC=CC=C1 Z1245635737 [0,0,0,0,0,0|3,0,0]=3 7 B11R1.40 CC(CN)SC1=CC=CC=C1 Z844632804 [0,0,0,0,0,0|3,0,0]=3 8 B11R1.40 CCC(=O)CC1=CN=CC=C1 Z992407884 [0,0,0,0,0,0|2,0,1]=3 9 B11R1.40 CCC(N)CC1=CC=CC=C1 Z431980016 [0,0,0,0,0,0|0,0,0]=0 10 B11R1.40 CCC(O)CC1=CC=CC=C1 Z513749284 [0,0,0,0,0,0|1,0,0]=1 11 B11R1.40 CCC(O)CC1=CC=NC=C1 Z992409862 [0,0,0,0,0,0|2,0,0]=2 12 B11R1.40 CC[C@@H](O)CC1=CC=CC=C1 Z1262397064 [0,0,0,0,0,0|1,0,0]=1 13 B11R1.40 CC[C@H](O)CC1=CC=CC=C1 Z1262397065 [0,0,0,0,0,0|1,0,0]=1 14 B11R1.40 CN(C#N)CC1=CC=CC=C1 Z1255506511 [0,0,0,0,0,0|3,0,1]=4 15 B11R1.40 CN(CC1=CC=CC=C1)N=O Z1198147495 [0,0,0,0,0,0|4,0,0]=4 16 B11R1.40 CNC(=O)NC1=CC=CC=C1 Z55293754 [0,0,0,0,0,0|3,0,1]=4 17 B11R1.40 CNC(=S)NC1=CC=CC=C1 Z45796176 [0,0,0,0,0,0|3,0,1]=4 18 B11R1.40 COC(=O)CC1=CC=NC=C1 Z331473808 [0,0,0,0,0,0|3,0,1]=4 19 B11R1.40 COC(=O)CC1=NC=CC=C1 Z147652450 [0,0,0,0,0,0|3,0,1]=4 20 B11R1.40 CS/C(=N/C1=CC=CC=C1)/N Z107728768 [0,0,0,0,0,0|2,0,1]=3 21 B11R1.40 N/C(=N\O)/CC1=NC=CC=C1 Z285132826 [0,0,0,0,0,0|3,0,1]=4 22 B11R1.40 NC(CO)CC1=CC=CC=C1 Z234898263 [0,0,0,0,0,0|1,0,0]=1 23 B11R1.40 NC(CO)CC1=CC=NC=C1 Z1824511267 [0,0,0,0,0,0|2,0,0]=2 24 B11R1.40 NCC(=O)CC1=CC=CC=C1 Z1569708978 [0,0,0,0,0,0|2,0,1]=3 25 B11R1.40 NCC(=O)NC1=CC=CC=C1 Z594413794 [0,0,0,0,0,0|3,0,1]=4 26 B11R1.40 NCC(F)CC1=CC=CC=C1 Z2740416678 [0,0,0,0,0,0|2,0,0]=2 27 B11R1.40 NCC(N)CC1=CC=CC=C1 Z425861056 [0,0,0,0,0,0|1,0,0]=1 28 B11R1.40 NCC(O)CC1=CC=CC=C1 Z419084966 [0,0,0,0,0,0|2,0,0]=2 29 B11R1.40 NNC(=O)CC1=CC=CC=C1 Z56867310 [0,0,0,0,0,0|3,0,1]=4 30 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 Z1157651018 [0,0,0,0,0,0|1,0,0]=1 31 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 Z1741982891 [0,0,0,0,0,0|1,0,0]=1 32 B11R1.40 O=C(CCl)CC1=CC=CC=C1 Z164706024 [0,0,0,0,0,0|2,0,1]=3 33 B11R1.40 O=C(CCl)NC1=CC=CC=C1 Z56889119 [0,0,0,0,0,0|3,0,1]=4 34 B11R1.40 O=C(CO)NC1=CC=CC=C1 Z228585444 [0,0,0,0,0,0|3,0,1]=4 35 B10R1.17 BrCCOC1=CC=CC=C1 Z56950513 [1,0,0,0,0,0|2,0,0]=3 36 B10R1.17 CCCCC1=CC=CC=C1 Z104492496 [1,0,0,0,0,0|0,0,0]=1 37 B10R1.17 CCCNC1=CN=CC=C1 Z334882412 [1,0,0,0,0,0|2,0,0]=3 38 B10R1.17 CCCOC1=NC=CN=C1 Z2182020100 [1,0,0,0,0,0|3,0,0]=4 39 B10R1.17 CCCSC1=NC=CC=N1 Z18380759 [1,0,0,0,0,0|3,0,0]=4 40 B10R1.17 CCNCC1=CC=CC=C1 Z57327176 [1,0,0,0,0,0|1,0,0]=2 41 B10R1.17 CCNCC1=CC=NC=C1 Z57327181 [1,0,0,0,0,0|2,0,0]=3 42 B10R1.17 CCNCC1=NC=CC=C1 Z90513146 [1,0,0,0,0,0|2,0,0]=3 43 B10R1.17 CCSCC1=NC=CC=C1 Z1607601848 [1,0,0,0,0,0|2,0,0]=3 44 B10R1.17 CNCCC1=CC=CC=C1 Z445226260 [1,0,0,0,0,0|1,0,0]=2 45 B10R1.17 CNCCC1=CC=NC=C1 Z235580560 [1,0,0,0,0,0|2,0,0]=3 46 B10R1.17 CNCCC1=CN=CC=C1 Z2418466818 [1,0,0,0,0,0|2,0,0]=3 47 B10R1.17 CNCCC1=NC=CC=C1 Z2238930991 [1,0,0,0,0,0|2,0,0]=3 48 B10R1.17 CNCCC1=NC=CC=N1 Z3023337072 [1,0,0,0,0,0|3,0,0]=4 49 B10R1.17 COCCC1=CC=CC=C1 Z104494216 [1,0,0,0,0,0|1,0,0]=2 50 B10R1.17 N#CCCC1=CC=CC=C1 Z104507980 [1,0,0,0,0,0|1,0,1]=3 51 B10R1.17 N#CCNC1=CC=CC=C1 Z56347332 [1,0,0,0,0,0|2,0,1]=4 52 B10R1.17 N#CCOC1=CC=CC=C1 Z53792061 [1,0,0,0,0,0|2,0,1]=4 53 B10R1.17 N#CCSC1=CC=CC=C1 Z19751391 [1,0,0,0,0,0|2,0,1]=4 54 B10R1.17 NC/C=C/C1=CC=CC=C1 Z2953771905 [1,0,0,0,0,0|1,0,2]=4 55 B10R1.17 NCC#CC1=CC=CC=C1 Z227964210 [1,0,0,0,0,0|1,0,2]=4 56 B10R1.17 NCCCC1=CC=CC=C1 Z104478312 [1,0,0,0,0,0|1,0,0]=2 57 B10R1.17 NCCCC1=CN=CC=C1 Z3058301115 [1,0,0,0,0,0|2,0,0]=3 58 B10R1.17 NCCCC1=CN=NC=C1 Z3270187722 [1,0,0,0,0,0|3,0,0]=4 59 B10R1.17 NCCCC1=NC=CC=C1 Z600381818 [1,0,0,0,0,0|2,0,0]=3 60 B10R1.17 NCCCC1=NC=CN=C1 Z1474025943 [1,0,0,0,0,0|3,0,0]=4 61 B10R1.17 NCCNC1=CC=NC=C1 Z317257862 [1,0,0,0,0,0|3,0,0]=4 62 B10R1.17 NCCNC1=NC=CC=C1 Z85923460 [1,0,0,0,0,0|3,0,0]=4 63 B10R1.17 NCCOC1=CC=CC=C1 Z355423232 [1,0,0,0,0,0|2,0,0]=3 64 B10R1.17 NCCOC1=CC=NC=C1 Z3243651499 [1,0,0,0,0,0|3,0,0]=4 65 B10R1.17 NCCOC1=CN=CC=C1 Z429662874 [1,0,0,0,0,0|3,0,0]=4 66 B10R1.17 NCCSC1=CC=CC=C1 Z57970213 [1,0,0,0,0,0|2,0,0]=3 67 B10R1.17 NNCCC1=CC=CC=C1 Z927192062 [1,0,0,0,0,0|2,0,0]=3 68 B10R1.17 O=CCCC1=CC=CC=C1 Z87002472 [1,0,0,0,0,0|1,0,1]=3 69 B10R1.17 O=CCCC1=CC=NC=C1 Z1070006438 [1,0,0,0,0,0|2,0,1]=4 70 B10R1.17 O=CCCC1=CN=CC=C1 Z1198276578 [1,0,0,0,0,0|2,0,1]=4 71 B10R1.17 O=CCCC1=NC=CC=C1 Z1079158816 [1,0,0,0,0,0|2,0,1]=4 72 B10R1.17 O=CCOC1=CC=CC=C1 Z854102570 [1,0,0,0,0,0|2,0,1]=4 73 B10R1.17 O=CNCC1=CC=CC=C1 Z1203730748 [1,0,0,0,0,0|2,0,1]=4 74 B10R1.17 OC/C=C/C1=CC=CC=C1 Z104473562 [1,0,0,0,0,0|1,0,2]=4 75 B10R1.17 OCCCC1=CC=CC=C1 Z104476660 [1,0,0,0,0,0|1,0,0]=2 76 B10R1.17 OCCCC1=CC=NC=C1 Z104475752 [1,0,0,0,0,0|2,0,0]=3 77 B10R1.17 OCCCC1=CN=CC=C1 Z104479004 [1,0,0,0,0,0|2,0,0]=3 78 B10R1.17 OCCCC1=NC=NC=C1 Z2044799287 [1,0,0,0,0,0|3,0,0]=4 79 B10R1.17 OCCNC1=CC=NC=C1 Z359301874 [1,0,0,0,0,0|3,0,0]=4 80 B10R1.17 OCCNC1=NC=CC=C1 Z31212159 [1,0,0,0,0,0|3,0,0]=4 81 B10R1.17 OCCOC1=CC=CC=C1 Z104473570 [1,0,0,0,0,0|2,0,0]=3 82 B10R1.17 OCCOC1=CN=CC=C1 Z1180078238 [1,0,0,0,0,0|3,0,0]=4 83 B10R1.17 OCCSC1=CC=CC=C1 Z149157348 [1,0,0,0,0,0|2,0,0]=3 84 B10R1.17 S=C=NCC1=CC=CC=C1 Z56869309 [1,0,0,0,0,0|2,0,1]=4 85 B10R1.18 CC(=O)CC1=CC=NC=C1 Z992409812 [1,0,0,0,0,0|2,0,1]=4 86 B10R1.18 CC(=O)NC1=CC=CC=C1 Z27782600 [1,0,0,0,0,0|2,0,1]=4 87 B10R1.18 CC(C)CC1=CC=CC=C1 Z104486386 [1,0,0,0,0,0|1,0,0]=2 88 B10R1.18 CC(C)CC1=NC=CC=C1 Z1201621742 [1,0,0,0,0,0|2,0,0]=3 89 B10R1.18 CC(C)NC1=CC=CC=C1 Z104475020 [1,0,0,0,0,0|2,0,0]=3 90 B10R1.18 CC(C)NC1=CN=CC=C1 Z334882282 [1,0,0,0,0,0|3,0,0]=4 91 B10R1.18 CC(C)OC1=CC=CC=C1 Z53833867 [1,0,0,0,0,0|2,0,0]=3 92 B10R1.18 CC(C)OC1=CC=NC=C1 Z1140308716 [1,0,0,0,0,0|3,0,0]=4 93 B10R1.18 CC(N)CC1=CC=NC=C1 Z285143992 [1,0,0,0,0,0|1,0,0]=2 94 B10R1.18 CC(O)CC1=CC=CC=C1 Z513749298 [1,0,0,0,0,0|1,0,0]=2 95 B10R1.18 CC(O)CC1=CC=NC=C1 Z992409872 [1,0,0,0,0,0|2,0,0]=3 96 B10R1.18 CC(O)CC1=NC=CC=C1 Z513750714 [1,0,0,0,0,0|2,0,0]=3 97 B10R1.18 CN(C)CC1=CN=CC=C1 Z140563088 [1,0,0,0,0,0|3,0,0]=4 98 B10R1.18 CN(C)CC1=NC=CC=C1 Z4614651190 [1,0,0,0,0,0|3,0,0]=4 99 B10R1.18 N=C(N)CC1=CC=CC=C1 Z600428462 [1,0,0,0,0,0|1,0,1]=3 100 B10R1.18 N=C(N)CC1=CC=NC=C1 Z2441004470 [1,0,0,0,0,0|2,0,1]=4 101 B10R1.18 N=C(N)CC1=CN=CC=C1 Z2350941593 [1,0,0,0,0,0|2,0,1]=4 102 B10R1.18 NC(=O)CC1=CC=CC=C1 Z33546508 [1,0,0,0,0,0|1,0,1]=3 103 B10R1.18 NC(=O)CC1=CC=NC=C1 Z234895093 [1,0,0,0,0,0|2,0,1]=4 104 B10R1.18 NC(=O)OC1=CC=CC=C1 Z33547080 [1,0,0,0,0,0|2,0,1]=4 105 B10R1.18 NC(=S)CC1=CC=CC=C1 Z56928578 [1,0,0,0,0,0|1,0,1]=3 106 B10R1.18 NC(=S)NC1=CC=CC=C1 Z57474172 [1,0,0,0,0,0|2,0,1]=4 107 B10R1.18 O=S(O)CC1=CC=CC=C1 Z3211806022 [1,0,0,0,0,0|3,0,0]=4 108 B10R1.18 O=[N+]([O-])CC1=CC=CC=C1 Z995236210 [1,0,0,0,0,0|3,0,0]=4 109 B10R1.18 OB(O)CC1=CC=CC=C1 Z1147227831 [1,0,0,0,0,0|3,0,0]=4 110 B12R1.32 C#CCN(C)CC1=CC=CC=C1 Z103710848 [0,1,0,0,0,0|2,0,1]=4 111 B12R1.32 CCCC(=O)CC1=CC=CC=C1 Z513733628 [0,1,0,0,0,0|1,0,1]=3 112 B12R1.32 CCCC(C)NC1=CC=CC=C1 Z334878280 [0,1,0,0,0,0|2,0,0]=3 113 B12R1.32 CCCC(N)CC1=CC=CC=C1 Z513795750 [0,1,0,0,0,0|0,0,0]=1 114 B12R1.32 CCNC(=O)NC1=CC=CC=C1 Z44586347 [0,1,0,0,0,0|2,0,1]=4 115 B12R1.32 CCOC(=O)CC1=CN=CC=C1 Z982129808 [0,1,0,0,0,0|2,0,1]=4 116 B12R1.32 CN(CCN)CC1=CC=CC=C1 Z285207092 [0,1,0,0,0,0|2,0,0]=3 117 B12R1.32 CN(CCO)CC1=CC=CC=C1 Z137706074 [0,1,0,0,0,0|2,0,0]=3 118 B12R1.32 CNC/C(=C/C1=CC=CC=C1)/C Z1137726270 [0,1,0,0,0,0|1,0,2]=4 119 B12R1.32 CNCC(=O)NC1=CC=CC=C1 Z380844554 [0,1,0,0,0,0|2,0,1]=4 120 B12R1.32 CNCC(N)CC1=CC=CC=C1 Z756920442 [0,1,0,0,0,0|0,0,0]=1 121 B12R1.32 COCC(=O)CC1=CC=CC=C1 Z447897954 [0,1,0,0,0,0|1,0,1]=3 122 B12R1.32 COCC(=O)NC1=CC=CC=C1 Z31504642 [0,1,0,0,0,0|2,0,1]=4 123 B12R1.32 COCC(N)CC1=CC=CC=C1 Z825742276 [0,1,0,0,0,0|0,0,0]=1 124 B12R1.32 CSCC(=O)NC1=CC=CC=C1 Z27781929 [0,1,0,0,0,0|2,0,1]=4 125 B12R1.32 NC(CCO)CC1=CC=CC=C1 Z1992316427 [0,1,0,0,0,0|0,0,0]=1 126 B12R1.32 NCCC(=O)NC1=CC=CC=C1 Z241054028 [0,1,0,0,0,0|2,0,1]=4 127 B12R1.32 NCCS(=O)CC1=CC=CC=C1 Z802568488 [0,1,0,0,0,0|2,0,0]=3 128 B12R1.32 O=C(CCCl)NC1=CC=CC=C1 Z217707130 [0,1,0,0,0,0|2,0,1]=4 129 B12R1.34 CC(C1=CC=CC=C1)C(N)CO Z1262398547 [0,1,0,0,0,0|1,0,0]=2 130 B12R1.34 CC(CN)N(C)C1=CC=CC=C1 Z228572562 [0,1,0,0,0,0|3,0,0]=4 131 B12R1.34 CC(CO)C(=O)C1=CC=CC=C1 Z1198183441 [0,1,0,0,0,0|2,0,1]=4 132 B12R1.34 CCC(=O)C(=O)C1=CC=CC=C1 Z1251352835 [0,1,0,0,0,0|1,0,2]=4 133 B12R1.34 CCC(=O)N(C)C1=CC=CC=C1 Z58322425 [0,1,0,0,0,0|2,0,1]=4 134 B12R1.34 CCC(N)C(C)C1=CC=CC=C1 Z1318372590 [0,1,0,0,0,0|0,0,0]=1 135 B12R1.34 CCC(N)C(O)C1=CC=CC=C1 Z1695783907 [0,1,0,0,0,0|0,0,0]=1 136 B12R1.34 CNC(=O)C(N)C1=CC=CC=C1 Z594038166 [0,1,0,0,0,0|2,0,1]=4 137 B12R1.34 CNC(=O)C(O)C1=CC=CC=C1 Z1203869997 [0,1,0,0,0,0|2,0,1]=4 138 B12R1.34 COC(=O)C(Cl)C1=CC=CC=C1 Z57046237 [0,1,0,0,0,0|2,0,1]=4 139 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 Z56757232 [0,1,0,0,0,0|2,0,1]=4 140 B12R1.34 COC(=O)C(O)C1=CC=CC=C1 Z19752945 [0,1,0,0,0,0|2,0,1]=4 141 B12R1.34 NC(CO)C(O)C1=CC=NC=C1 Z2696777507 [0,1,0,0,0,0|2,0,0]=3 142 B12R1.34 NC(CO)C(O)C1=NC=CC=C1 Z2694807446 [0,1,0,0,0,0|2,0,0]=3 143 B12R1.43 CC(=O)C(N)CC1=CC=CC=C1 Z90124995 [0,1,0,0,0,0|0,0,1]=2 144 B12R1.43 CC(C)C(=O)NC1=CC=CC=C1 Z27782614 [0,1,0,0,0,0|2,0,1]=4 145 B12R1.43 CC(C)C(C)NC1=CC=CC=C1 Z334878086 [0,1,0,0,0,0|2,0,0]=3 146 B12R1.43 CC(CC1=CC=CC=C1)C(=O)O Z513624710 [0,1,0,0,0,0|2,0,1]=4 147 B12R1.43 CC(Cl)C(=O)CC1=CC=CC=C1 Z558478664 [0,1,0,0,0,0|1,0,1]=3 148 B12R1.43 CC(Cl)C(=O)NC1=CC=CC=C1 Z56921786 [0,1,0,0,0,0|2,0,1]=4 149 B12R1.43 CC(N)C(=O)CC1=CC=CC=C1 Z1262640515 [0,1,0,0,0,0|1,0,1]=3 150 B12R1.43 CC(N)C(=O)NC1=CC=CC=C1 Z1266933914 [0,1,0,0,0,0|2,0,1]=4 151 B12R1.43 CC(N)C(C)OC1=CC=CC=C1 Z803066446 [0,1,0,0,0,0|2,0,0]=3 152 B12R1.43 CC(N)C(O)CC1=CC=CC=C1 Z1483956878 [0,1,0,0,0,0|1,0,0]=2 153 B12R1.43 CC(O)C(=O)NC1=CC=CC=C1 Z212044362 [0,1,0,0,0,0|2,0,1]=4 154 B12R1.43 C[C@@H](CC1=CC=CC=C1)C(=O)O Z1262510261 [0,1,0,0,0,0|2,0,1]=4 155 B12R1.43 NC(=O)C(N)CC1=CC=CC=C1 Z317075516 [0,1,0,0,0,0|1,0,1]=3 156 B12R1.43 NC(=O)C(N)CC1=NC=CC=C1 Z4981909244 [0,1,0,0,0,0|2,0,1]=4 157 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 Z760046820 [0,1,0,0,0,0|1,0,1]=3 158 B12R1.43 NC(=O)[C@H](N)CC1=CC=CC=C1 Z933616656 [0,1,0,0,0,0|1,0,1]=3 159 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O Z57127433 [0,1,0,0,0,0|1,0,1]=3 160 B12R1.43 NC(CC1=CC=NC=C1)C(=O)O Z1675026076 [0,1,0,0,0,0|2,0,1]=4 161 B12R1.43 NC(CC1=CN=CC=C1)C(=O)O Z3235906342 [0,1,0,0,0,0|2,0,1]=4 162 B12R1.43 NC(CC1=NC=CC=C1)C(=O)O Z3235025558 [0,1,0,0,0,0|2,0,1]=4 163 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O Z756430566 [0,1,0,0,0,0|1,0,1]=3 164 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O Z933646062 [0,1,0,0,0,0|1,0,1]=3 165 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 Z788000648 [0,1,0,0,0,0|2,0,1]=4 166 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 Z1255386695 [0,1,0,0,0,0|2,0,1]=4 167 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 Z1255364914 [0,1,0,0,0,0|2,0,1]=4 168 B12R1.49 CC(CN)OC1=CC=C(C=C1)Br Z844632490 [0,1,0,0,0,0|3,0,0]=4 169 B12R1.49 CC(CN)OC1=CC=C(C=C1)Cl Z844632498 [0,1,0,0,0,0|3,0,0]=4 170 B12R1.49 CC(CN)OC1=CC=C(C=C1)F Z274779140 [0,1,0,0,0,0|3,0,0]=4 171 B12R1.49 CC(CN)SC1=CC=C(C=C1)Br Z1266854950 [0,1,0,0,0,0|3,0,0]=4 172 B12R1.49 CC1=CC=C(C=C1)CC(=O)CCl Z316174762 [0,1,0,0,0,0|2,0,1]=4 173 B12R1.49 CC1=CC=C(C=C1)CC(Br)C#N Z85923462 [0,1,0,0,0,0|2,0,1]=4 174 B12R1.49 CC1=CC=C(C=C1)CC(Cl)C=O Z982126370 [0,1,0,0,0,0|2,0,1]=4 175 B12R1.49 CC1=CC=C(C=C1)CC(N)CO Z1800620539 [0,1,0,0,0,0|1,0,0]=2 176 B12R1.49 CC1=CC=C(C=C1)OC(C)CN Z844632044 [0,1,0,0,0,0|3,0,0]=4 177 B12R1.49 CCC(=O)CC1=CC=C(C=C1)Br Z513733694 [0,1,0,0,0,0|1,0,1]=3 178 B12R1.49 CCC(=O)CC1=CC=C(C=C1)C Z513735300 [0,1,0,0,0,0|1,0,1]=3 179 B12R1.49 CCC(=O)NC1=CC=C(C=C1)F Z27805867 [0,1,0,0,0,0|2,0,1]=4 180 B12R1.49 CCC(=O)NC1=CC=C(C=C1)I Z30316420 [0,1,0,0,0,0|2,0,1]=4 181 B12R1.49 CCC(=O)NC1=CC=C(C=C1)N Z432066898 [0,1,0,0,0,0|2,0,1]=4 182 B12R1.49 CCC(=O)NC1=CC=C(C=C1)O Z223656304 [0,1,0,0,0,0|2,0,1]=4 183 B12R1.49 CCC(C)OC1=CC=C(C=C1)Br Z336342658 [0,1,0,0,0,0|2,0,0]=3 184 B12R1.49 CCC(C)OC1=CC=C(C=C1)N Z274541874 [0,1,0,0,0,0|2,0,0]=3 185 B12R1.49 CCC(C)OC1=CC=C(C=C1)O Z381414944 [0,1,0,0,0,0|2,0,0]=3 186 B12R1.49 CCC(N)CC1=CC=C(C=C1)Br Z2582143601 [0,1,0,0,0,0|0,0,0]=1 187 B12R1.49 CCC(N)CC1=CC=C(C=C1)C Z431980102 [0,1,0,0,0,0|0,0,0]=1 188 B12R1.49 CCC(N)CC1=CC=C(C=C1)Cl Z2044769785 [0,1,0,0,0,0|0,0,0]=1 189 B12R1.49 CCC(N)CC1=CC=C(C=C1)F Z2492774579 [0,1,0,0,0,0|0,0,0]=1 190 B12R1.49 CCC(N)CC1=CC=C(C=C1)O Z1815149210 [0,1,0,0,0,0|0,0,0]=1 191 B12R1.49 CCC(O)CC1=CC=C(C=C1)C Z513751166 [0,1,0,0,0,0|1,0,0]=2 192 B12R1.49 CNC(=O)CC1=CC=C(C=C1)Br Z30272406 [0,1,0,0,0,0|2,0,1]=4 193 B12R1.49 CNC(=O)CC1=CC=C(C=C1)N Z239124750 [0,1,0,0,0,0|2,0,1]=4 194 B12R1.49 CNC(=O)CC1=CC=C(C=C1)O Z135505392 [0,1,0,0,0,0|2,0,1]=4 195 B12R1.49 COC(=O)CC1=CC=C(C=C1)Br Z18830099 [0,1,0,0,0,0|2,0,1]=4 196 B12R1.49 COC(=O)CC1=CC=C(C=C1)Cl Z18425668 [0,1,0,0,0,0|2,0,1]=4 197 B12R1.49 COC(=O)CC1=CC=C(C=C1)N Z285139238 [0,1,0,0,0,0|2,0,1]=4 198 B12R1.49 C[C@@H](CN)OC1=CC=C(C=C1)Cl Z1860991587 [0,1,0,0,0,0|3,0,0]=4 199 B12R1.49 NC(CO)CC1=CC=C(C=C1)Cl Z3244488892 [0,1,0,0,0,0|1,0,0]=2 200 B12R1.49 NC(CO)CC1=CC=C(C=C1)F Z1849004242 [0,1,0,0,0,0|1,0,0]=2 201 B12R1.49 NC(CO)CC1=CC=C(C=C1)I Z1263636488 [0,1,0,0,0,0|1,0,0]=2 202 B12R1.49 NC1=CC=C(C=C1)CC(F)CO Z4580450313 [0,1,0,0,0,0|2,0,0]=3 203 B12R1.49 NCC(=O)CC1=CC=C(C=C1)F Z1889902528 [0,1,0,0,0,0|2,0,1]=4 204 B12R1.49 NCC(O)CC1=CC=C(C=C1)Br Z4990293859 [0,1,0,0,0,0|2,0,0]=3 205 B12R1.49 N[C@@H](CO)CC1=CC=C(C=C1)O Z295456854 [0,1,0,0,0,0|1,0,0]=2 206 B12R1.49 N[C@H](CO)CC1=CC=C(C=C1)O Z203038576 [0,1,0,0,0,0|1,0,0]=2 207 B12R1.49 O=C(CCl)CC1=CC=C(C=C1)Br Z408178414 [0,1,0,0,0,0|2,0,1]=4 208 B12R1.49 O=C(CCl)CC1=CC=C(C=C1)Cl Z316174770 [0,1,0,0,0,0|2,0,1]=4 209 B12R1.49 O=C(CCl)CC1=CC=C(C=C1)F Z316174768 [0,1,0,0,0,0|2,0,1]=4 210 B12R1.49 O=C(CO)CC1=CC=C(C=C1)F Z906206828 [0,1,0,0,0,0|2,0,1]=4 211 B12R1.50 C#CC(N)CC1=CC(=CC=C1)F Z3178895122 [0,1,0,0,0,0|0,0,2]=3 212 B12R1.50 CC(CN)OC1=CC(=CC=C1)Br Z844632504 [0,1,0,0,0,0|3,0,0]=4 213 B12R1.50 CC(CN)OC1=CC(=CC=C1)Cl Z1263820268 [0,1,0,0,0,0|3,0,0]=4 214 B12R1.50 CC(CN)OC1=CC(=CC=C1)F Z844631990 [0,1,0,0,0,0|3,0,0]=4 215 B12R1.50 CC1=CC(=CC=C1)CC(=O)CCl Z276118998 [0,1,0,0,0,0|2,0,1]=4 216 B12R1.50 CC1=CC(=CC=C1)CC(N)CO Z1801307645 [0,1,0,0,0,0|1,0,0]=2 217 B12R1.50 CC1=CC=CC(=C1)OC(C)CN Z844631960 [0,1,0,0,0,0|3,0,0]=4 218 B12R1.50 CC1=NC(=CC=C1)CC(N)CO Z4870594850 [0,1,0,0,0,0|2,0,0]=3 219 B12R1.50 CCC(=O)NC1=CC(=CC=C1)Br Z27788979 [0,1,0,0,0,0|2,0,1]=4 220 B12R1.50 CCC(=O)NC1=CC(=CC=C1)F Z28143170 [0,1,0,0,0,0|2,0,1]=4 221 B12R1.50 CCC(=O)NC1=CC(=CC=C1)N Z57243699 [0,1,0,0,0,0|2,0,1]=4 222 B12R1.50 CCC(C)OC1=CC(=CC=C1)N Z331149114 [0,1,0,0,0,0|2,0,0]=3 223 B12R1.50 CCC(C)OC1=NC(=CC=C1)N Z1416119478 [0,1,0,0,0,0|3,0,0]=4 224 B12R1.50 CCS(=O)CC1=CC(=CC=C1)Br Z1618064713 [0,1,0,0,0,0|2,0,0]=3 225 B12R1.50 CNC(=O)CC1=CC(=CC=C1)O Z816010790 [0,1,0,0,0,0|2,0,1]=4 226 B12R1.50 CNC(C)CC1=CC(=CC=C1)C Z2311236342 [0,1,0,0,0,0|2,0,0]=3 227 B12R1.50 COC(=O)CC1=CC(=CC=C1)Br Z905185712 [0,1,0,0,0,0|2,0,1]=4 228 B12R1.50 COC(=O)CC1=CC(=CC=C1)N Z1250132316 [0,1,0,0,0,0|2,0,1]=4 229 B12R1.50 COC(=O)CC1=CC(=CC=C1)O Z816010254 [0,1,0,0,0,0|2,0,1]=4 230 B12R1.50 NC(CO)CC1=CC(=CC=C1)F Z1198222234 [0,1,0,0,0,0|1,0,0]=2 231 B12R1.50 NCC(=O)CC1=CC(=CC=C1)Br Z1981870420 [0,1,0,0,0,0|2,0,1]=4 232 B12R1.50 NCC(O)CC1=CC(=CC=C1)Br Z4981222469 [0,1,0,0,0,0|2,0,0]=3 233 B12R1.50 O=C(CCl)CC1=CC(=CC=C1)Br Z408178442 [0,1,0,0,0,0|2,0,1]=4 234 B12R1.50 O=C(CCl)CC1=CC(=CC=C1)Cl Z316174772 [0,1,0,0,0,0|2,0,1]=4 235 B12R1.50 O=C(CCl)CC1=CC=CC(=C1)F Z316174766 [0,1,0,0,0,0|2,0,1]=4 236 B12R1.118 CCC(C#N)OC1=CC=CC=C1 Z851010186 [0,1,0,0,0,0|1,0,1]=3 237 B12R1.118 CCC(CC1=CC=CC=C1)NC Z513799420 [0,1,0,0,0,0|0,0,0]=1 238 B12R1.118 CCC(CN)OC1=CC=CC=C1 Z851004988 [0,1,0,0,0,0|1,0,0]=2 239 B12R1.118 CCC(CO)NC1=CC=CC=C1 Z734137648 [0,1,0,0,0,0|2,0,0]=3 240 B12R1.118 CCN(CC1=CC=CC=C1)N=O Z1198158367 [0,1,0,0,0,0|1,0,1]=3 241 B12R1.118 COC(C=O)CC1=CC=CC=C1 Z1511872212 [0,1,0,0,0,0|2,0,0]=3 242 B12R1.118 COC(CO)CC1=CC=CC=C1 Z1896500221 [0,1,0,0,0,0|2,0,0]=3 243 B12R1.118 N#CC(CO)CC1=CC=CC=C1 Z1098915220 [0,1,0,0,0,0|1,0,1]=3 244 B12R1.118 NCC(CO)CC1=CC=CC=C1 Z234896807 [0,1,0,0,0,0|1,0,0]=2 245 B12R1.118 NCC(CO)CC1=CN=CC=C1 Z1860991485 [0,1,0,0,0,0|2,0,0]=3 246 B12R1.118 NCC(CO)CC1=NC=CC=C1 Z285228948 [0,1,0,0,0,0|2,0,0]=3 247 B12R1.118 OCC(CO)CC1=CC=CC=C1 Z1255372888 [0,1,0,0,0,0|2,0,0]=3 248 B12R1.194 CC(C)(C#N)CC1=CC=CC=C1 Z1259281880 [0,1,0,0,0,0|2,0,1]=4 249 B12R1.194 CC(C)(C=O)CC1=CC=CC=C1 Z1188488760 [0,1,0,0,0,0|2,0,1]=4 250 B12R1.194 CC(C)(CN)CC1=CC=CC=C1 Z1269638453 [0,1,0,0,0,0|2,0,0]=3 251 B12R1.194 CNS(=O)(=O)CC1=CC=CC=C1 Z133621020 [0,1,0,0,0,0|3,0,0]=4 252 B12R1.194 NCC(F)(F)OC1=CC=CC=C1 Z4201275590 [0,1,0,0,0,0|3,0,0]=4 253 B12R1.371 CC(CN)OC1=C(C=CC=C1)Br Z844632454 [0,1,0,0,0,0|3,0,0]=4 254 B12R1.371 CC(CN)OC1=C(C=CC=C1)Cl Z1263602349 [0,1,0,0,0,0|3,0,0]=4 255 B12R1.371 CC(CN)OC1=C(C=CC=C1)F Z844631932 [0,1,0,0,0,0|3,0,0]=4 256 B12R1.371 CC1=C(C=CC=C1)CC(N)CO Z1198274419 [0,1,0,0,0,0|1,0,0]=2 257 B12R1.371 CC1=C(C=CC=C1)OC(C)CN Z844631964 [0,1,0,0,0,0|3,0,0]=4 258 B12R1.371 CCC(=O)CC1=C(C=CC=C1)Br Z513735296 [0,1,0,0,0,0|1,0,1]=3 259 B12R1.371 CCC(=O)NC1=C(C=CC=C1)Br Z27784757 [0,1,0,0,0,0|2,0,1]=4 260 B12R1.371 CCC(=O)NC1=C(C=CC=C1)F Z28290312 [0,1,0,0,0,0|2,0,1]=4 261 B12R1.371 CCC(=O)NC1=C(C=CC=C1)O Z68195027 [0,1,0,0,0,0|2,0,1]=4 262 B12R1.371 CCC(N)CC1=C(C=CC=C1)Br Z1416200896 [0,1,0,0,0,0|0,0,0]=1 263 B12R1.371 CCC(O)CN1N=CC=CC1=O Z1021424294 [0,1,0,0,0,0|3,0,0]=4 264 B12R1.371 CNC(=O)CC1=C(C=CC=C1)N Z234895127 [0,1,0,0,0,0|2,0,1]=4 265 B12R1.371 CNC(C)CC1=C(C=CC=C1)C Z1875110273 [0,1,0,0,0,0|2,0,0]=3 266 B12R1.371 COC(=O)CC1=C(C=CC=C1)Cl Z24820310 [0,1,0,0,0,0|2,0,1]=4 267 B12R1.371 COC(=O)CC1=C(C=CC=C1)I Z1269173309 [0,1,0,0,0,0|2,0,1]=4 268 B12R1.371 COC(=O)CC1=C(C=CC=C1)N Z1333043515 [0,1,0,0,0,0|2,0,1]=4 269 B12R1.371 COC(=O)CC1=C(C=CC=C1)O Z1010319062 [0,1,0,0,0,0|2,0,1]=4 270 B12R1.371 N/C(=N\O)/CC1=C(C=CC=C1)Cl Z451350216 [0,1,0,0,0,0|2,0,1]=4 271 B12R1.371 O=C(CCl)CC1=C(C=CC=C1)Br Z408178456 [0,1,0,0,0,0|2,0,1]=4 272 B12R1.371 O=C(CCl)CC1=C(C=CC=C1)Cl Z408178450 [0,1,0,0,0,0|2,0,1]=4 273 B12R1.371 O=C(CCl)CC1=C(C=CC=C1)F Z316174764 [0,1,0,0,0,0|2,0,1]=4 274 B12R1.371 O=CC(Cl)CC1=C(C=CC=C1)Cl Z982126354 [0,1,0,0,0,0|2,0,1]=4 275 B12R2.11 N[C@@H]1C[C@H]1SC2=CC=CC=C2 Z4598403773 [0,0,0,1,0,0|3,0,0]=4 276 B12R2.18 CC1C(=O)NC2=C1C=CC=C2 Z425452744 [0,0,0,1,0,0|2,0,1]=4 277 B12R2.18 CC1C2=C(C=CC=C2)CC1N Z1203580431 [0,0,0,1,0,0|0,0,0]=1 278 B12R2.18 CC1C2=C(C=CC=C2)CC1O Z1349231024 [0,0,0,1,0,0|1,0,0]=2 279 B12R2.18 CC1CC2=C(C1=O)C=CC=C2 Z854042930 [0,0,0,1,0,0|2,0,1]=4 280 B12R2.18 CC1CC2=C(C1N)C=CC=C2 Z1182328130 [0,0,0,1,0,0|2,0,0]=3 281 B12R2.18 CC1OC2=C(C1N)C=CC=C2 Z2160887371 [0,0,0,1,0,0|3,0,0]=4 282 B12R2.18 CN1C(=CC2=C1C=CC=C2)N Z3243653956 [0,0,0,1,0,0|1,0,2]=4 283 B12R2.18 CN1C(=O)CC2=C1C=CC=C2 Z56899025 [0,0,0,1,0,0|2,0,1]=4 284 B12R2.18 C[C@@H]1CC2=C([C@H]1N)C=CC=C2 Z4993149521 [0,0,0,1,0,0|2,0,0]=3 285 B12R2.18 C[C@H]1C2=C(C=CC=C2)C[C@H]1N Z2514551594 [0,0,0,1,0,0|0,0,0]=1 286 B12R2.18 NC1CC2=C(C1=O)C=CC=C2 Z1551475987 [0,0,0,1,0,0|1,0,1]=3 287 B12R2.18 NC1CC2=C(C1O)C=CC=C2 Z1431905060 [0,0,0,1,0,0|1,0,0]=2 288 B12R2.18 NN1CC2=C(C1=O)C=CC=C2 Z1953500024 [0,0,0,1,0,0|2,0,1]=4 289 B12R2.18 N[C@@H]1C2=C(C=CC=C2)C[C@@H]1O Z784894996 [0,0,0,1,0,0|2,0,0]=3 290 B12R2.18 N[C@@H]1CC2=C([C@H]1O)C=CC=C2 Z2307327484 [0,0,0,1,0,0|1,0,0]=2 291 B12R2.18 N[C@H]1C2=C(C=CC=C2)C[C@@H]1O Z4663003875 [0,0,0,1,0,0|2,0,0]=3 292 B12R2.18 N[C@H]1C2=C(C=CC=C2)C[C@H]1N Z4749736623 [0,0,0,1,0,0|1,0,0]=2 293 B12R2.18 N[C@H]1C2=C(C=CC=C2)C[C@H]1O Z803127638 [0,0,0,1,0,0|2,0,0]=3 294 B12R2.18 O=C1C2=C(C=CC=C2)CC1Cl Z854067258 [0,0,0,1,0,0|2,0,1]=4 295 B12R2.18 OC1C2=C(C=CC=C2)CC1Br Z104485720 [0,0,0,1,0,0|2,0,0]=3 296 B12R2.18 OC1C2=C(C=CC=C2)CC1F Z1509011291 [0,0,0,1,0,0|2,0,0]=3 297 B12R2.23 CC1CNC1C2=CC=CC=C2 Z1268458216 [0,0,0,1,0,0|2,0,0]=3 298 B12R2.23 NC1CCC1C2=CC=CC=C2 Z1203589614 [0,0,0,1,0,0|0,0,0]=1 299 B12R2.23 N[C@@H]1CC[C@@H]1C2=CC=CC=C2 Z2489138864 [0,0,0,1,0,0|0,0,0]=1 300 B12R2.23 O=C1CCN1C2=CC=CC=C2 Z1198221109 [0,0,0,1,0,0|2,0,1]=4 301 B12R2.24 CC1CC2=C(C=CC=C2)CN1 Z979717380 [0,0,0,1,0,0|2,0,0]=3 302 B12R2.24 CC1CCC2=C(C1)N=CC=C2 Z2050228155 [0,0,0,1,0,0|2,0,0]=3 303 B12R2.24 CC1CCC2=C(N1)C=CC=N2 Z4269599049 [0,0,0,1,0,0|3,0,0]=4 304 B12R2.24 CC1CNC2=C(C1)C=CC=C2 Z1118526687 [0,0,0,1,0,0|2,0,0]=3 305 B12R2.24 CC1CNC2=C(N1)C=CC=C2 Z1203731025 [0,0,0,1,0,0|3,0,0]=4 306 B12R2.24 CC1CNC2=C(O1)C=CC=C2 Z1165160777 [0,0,0,1,0,0|3,0,0]=4 307 B12R2.24 CC1CNC2=C(S1)C=CC=C2 Z1198343217 [0,0,0,1,0,0|3,0,0]=4 308 B12R2.24 CC1COC2=C(N1)C=CC=C2 Z1201621516 [0,0,0,1,0,0|3,0,0]=4 309 B12R2.24 CC1CSC2=C(N1)C=CC=C2 Z1262564902 [0,0,0,1,0,0|3,0,0]=4 310 B12R2.24 CN1CC2=C(C=CC=C2)CN1 Z415677430 [0,0,0,1,0,0|3,0,0]=4 311 B12R2.24 C[C@@H]1CC2=C(C=CC=C2)CN1 Z1203733478 [0,0,0,1,0,0|2,0,0]=3 312 B12R2.24 NC1=NC2=C(C=CC=C2)CS1 Z1198725303 [0,0,0,1,0,0|2,0,1]=4 313 B12R2.24 NC1CCC2=C(C1)C=CC=C2 Z992716772 [0,0,0,1,0,0|0,0,0]=1 314 B12R2.24 NC1CCC2=C(C1)C=CC=N2 Z1270312108 [0,0,0,1,0,0|1,0,0]=2 315 B12R2.24 NC1COC2=C(C1)C=CC=C2 Z415636540 [0,0,0,1,0,0|1,0,0]=2 316 B12R2.24 NC1COC2=C(C1)C=CC=N2 Z4410234846 [0,0,0,1,0,0|2,0,0]=3 317 B12R2.24 O=C1CC2=C(C=CC=C2)CN1 Z1201622353 [0,0,0,1,0,0|2,0,1]=4 318 B12R2.24 O=C1CC2=C(C=CC=C2)CO1 Z1255486033 [0,0,0,1,0,0|2,0,1]=4 319 B12R2.24 O=C1CCC2=C(C1)C=CC=C2 Z104495562 [0,0,0,1,0,0|1,0,1]=3 320 B12R2.24 O=C1CCC2=C(N1)C=CC=C2 Z85917566 [0,0,0,1,0,0|2,0,1]=4 321 B12R2.24 O=C1CCC2=C(O1)C=CC=C2 Z586249466 [0,0,0,1,0,0|2,0,1]=4 322 B12R2.24 OC1CCC2=C(C1)C=CC=C2 Z445987178 [0,0,0,1,0,0|1,0,0]=2 323 B12R2.24 OC1CN=C2C=CC=CN2C1 Z1346385602 [0,0,0,1,0,0|3,0,0]=4 324 B12R2.24 OC1CNC2=C(C1)C=CC=C2 Z1198341064 [0,0,0,1,0,0|2,0,0]=3 325 B12R2.27 CNC1CC1C2=CC=CC=C2 Z1443588579 [0,0,0,1,0,0|2,0,0]=3 326 B12R2.27 CN[C@@H]1C[C@H]1C2=CC=CC=C2 Z3024312938 [0,0,0,1,0,0|2,0,0]=3 327 B12R2.27 N#C[C@@H]1C[C@H]1C2=CC=CC=C2 Z1198147613 [0,0,0,1,0,0|2,0,1]=4 328 B12R2.27 NCC1CC1C2=CC=CC=C2 Z1276751392 [0,0,0,1,0,0|2,0,0]=3 329 B12R2.27 O=C[C@@H]1C[C@H]1C2=CC=CC=C2 Z2298064271 [0,0,0,1,0,0|2,0,1]=4 330 B12R2.27 OCC1OC1C2=CC=CC=C2 Z1509054538 [0,0,0,1,0,0|2,0,0]=3 331 B12R2.32 CCC1=NC2=C(N1)C=CC=C2 Z55692907 [0,0,0,1,0,0|1,0,1]=3 332 B12R2.32 CNC1=NC2=C(N1)C=CC=C2 Z56767838 [0,0,0,1,0,0|2,0,1]=4 333 B12R2.32 CSC1=NC2=C(N1)C=CC=C2 Z53833331 [0,0,0,1,0,0|2,0,1]=4 334 B12R2.32 ClCC1=NC2=C(N1)C=CC=C2 Z56943426 [0,0,0,1,0,0|2,0,1]=4 335 B12R2.32 ClCC1CC2=C(O1)C=CC=C2 Z397587656 [0,0,0,1,0,0|2,0,0]=3 336 B12R2.32 N#CC1CC2=C(C1)C=CC=C2 Z449368682 [0,0,0,1,0,0|2,0,1]=4 337 B12R2.32 NCC1=CC2=C(N1)C=CC=C2 Z2106601624 [0,0,0,1,0,0|1,0,2]=4 338 B12R2.32 NCC1=NC2=C(N1)C=CC=C2 Z104479710 [0,0,0,1,0,0|2,0,1]=4 339 B12R2.32 NCC1CC2=C(C1)C=CC=C2 Z1269638468 [0,0,0,1,0,0|2,0,0]=3 340 B12R2.32 NCC1CC2=C(O1)C=CC=C2 Z291234246 [0,0,0,1,0,0|2,0,0]=3 341 B12R2.32 O=CC1CC2=C(C1)C=CC=C2 Z1255436588 [0,0,0,1,0,0|2,0,1]=4 342 B12R2.32 OCC1=NC2=C(N1)C=CC=C2 Z56791635 [0,0,0,1,0,0|2,0,1]=4 343 B12R2.32 OCC1CC2=C(C1)C=CC=C2 Z1198176601 [0,0,0,1,0,0|2,0,0]=3 344 B12R2.32 OCC1CC2=C(O1)C=CC=C2 Z397587206 [0,0,0,1,0,0|2,0,0]=3 345 B12R2.37 CC1C(C1C2=CC=CC=C2)N Z3596843396 [0,0,0,1,0,0|0,0,0]=1 346 B12R2.94 NC1(CC1)CC2=CC=CC=C2 Z1723549343 [0,0,0,1,0,0|0,0,0]=1 347 B12R2.2058 C1=CC=C(C=C1)CC2CCN2 Z1324054892 [0,0,0,1,0,0|0,0,0]=1 348 B12R2.2058 C1=CC=C(C=C1)CC2CNC2 Z234895271 [0,0,0,1,0,0|2,0,0]=3 349 B10R1.15 C/N=C(\N)/C1=CN=CC=C1 Z2528328215 [0,0,0,0,1,0|2,0,1]=4 350 B10R1.15 C=C(CN)C1=CC=CC=C1 Z2065464323 [0,0,0,0,1,0|2,0,1]=4 351 B10R1.15 C=CC(O)C1=CC=CC=C1 Z1255438717 [0,0,0,0,1,0|1,0,2]=4 352 B10R1.15 CC(C=O)C1=CC=CC=C1 Z104495674 [0,0,0,0,1,0|2,0,1]=4 353 B10R1.15 CC(CBr)C1=CC=CC=C1 Z756118300 [0,0,0,0,1,0|2,0,0]=3 354 B10R1.15 CC(CN)C1=CC=NC=C1 Z415654978 [0,0,0,0,1,0|3,0,0]=4 355 B10R1.15 CCC(=O)C1=CC=CC=C1 Z104473068 [0,0,0,0,1,0|1,0,1]=3 356 B10R1.15 CCC(=O)C1=CC=NC=C1 Z513733916 [0,0,0,0,1,0|2,0,1]=4 357 B10R1.15 CCC(N)C1=CC=CC=C1 Z1262252904 [0,0,0,0,1,0|0,0,0]=1 358 B10R1.15 CCC(N)C1=CC=NC=C1 Z228583312 [0,0,0,0,1,0|1,0,0]=2 359 B10R1.15 CCC(O)C1=CC=CC=C1 Z335245178 [0,0,0,0,1,0|1,0,0]=2 360 B10R1.15 CCC(O)C1=CC=NC=C1 Z513749638 [0,0,0,0,1,0|2,0,0]=3 361 B10R1.15 CNC(=N)C1=CC=CC=C1 Z2096088186 [0,0,0,0,1,0|1,0,2]=4 362 B10R1.15 CNC(=O)C1=CC=CC=C1 Z32016410 [0,0,0,0,1,0|2,0,1]=4 363 B10R1.15 CNC(C)C1=CC=CC=C1 Z85917524 [0,0,0,0,1,0|2,0,0]=3 364 B10R1.15 CNC(C)C1=CN=CC=C1 Z451350188 [0,0,0,0,1,0|3,0,0]=4 365 B10R1.15 CNC(C)C1=NC=CC=C1 Z451350194 [0,0,0,0,1,0|3,0,0]=4 366 B10R1.15 COC(=O)C1=CC=CC=C1 Z19825577 [0,0,0,0,1,0|2,0,1]=4 367 B10R1.15 C[C@H](CN)C1=CC=CC=C1 Z1203578128 [0,0,0,0,1,0|2,0,0]=3 368 B10R1.15 N#CC(Br)C1=CC=CC=C1 Z1198157485 [0,0,0,0,1,0|2,0,1]=4 369 B10R1.15 N#CC(N)C1=CN=CC=C1 Z4339467200 [0,0,0,0,1,0|2,0,1]=4 370 B10R1.15 N/C(=N\O)/C1=CC=CC=C1 Z56827052 [0,0,0,0,1,0|2,0,1]=4 371 B10R1.15 NC(CO)C1=CC=CC=C1 Z381674942 [0,0,0,0,1,0|1,0,0]=2 372 B10R1.15 NC(CO)C1=CN=CC=C1 Z2350903961 [0,0,0,0,1,0|2,0,0]=3 373 B10R1.15 NCC(=O)C1=CC=CC=C1 Z600428568 [0,0,0,0,1,0|2,0,1]=4 374 B10R1.15 NCC(N)C1=CC=CC=C1 Z425861034 [0,0,0,0,1,0|1,0,0]=2 375 B10R1.15 NCC(O)C1=CC=CC=C1 Z104476088 [0,0,0,0,1,0|2,0,0]=3 376 B10R1.15 NCC(O)C1=CN=CC=C1 Z336086578 [0,0,0,0,1,0|3,0,0]=4 377 B10R1.15 NCC(O)C1=NC=CC=C1 Z802671456 [0,0,0,0,1,0|3,0,0]=4 378 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 Z1201618614 [0,0,0,0,1,0|1,0,0]=2 379 B10R1.15 N[C@H](CO)C1=CC=CC=C1 Z1101444224 [0,0,0,0,1,0|1,0,0]=2 380 B10R1.15 O=C(CCl)C1=CC=CC=C1 Z57834468 [0,0,0,0,1,0|2,0,1]=4 381 B10R1.15 O=C(CO)C1=CC=CC=C1 Z906206792 [0,0,0,0,1,0|2,0,1]=4 382 B10R1.15 OCC(O)C1=CC=NC=C1 Z2736474279 [0,0,0,0,1,0|3,0,0]=4 383 B10R1.15 OCC(O)C1=NC=CC=C1 Z4985119178 [0,0,0,0,1,0|3,0,0]=4 384 B10R1.27 CC(CN)CC1=CC=CS1 Z992308868 [0,0,0,0,1,0|3,0,0]=4 385 B10R1.27 CCC(=O)CC1=CC=CS1 Z734152558 [0,0,0,0,1,0|2,0,1]=4 386 B10R1.27 CCN(C)CC1=CC=CO1 Z5358972165 [0,0,0,0,1,0|3,0,0]=4 387 B10R1.27 CNC(C)CC1=CSC=C1 Z1333043374 [0,0,0,0,1,0|3,0,0]=4 388 B10R1.27 NC(CO)CC1=CN=CS1 Z2731749295 [0,0,0,0,1,0|3,0,0]=4 389 B10R1.27 NC(CO)CC1=NC=CS1 Z3004013658 [0,0,0,0,1,0|3,0,0]=4 390 B10R1.27 N[C@H](CO)CC1=CNC=N1 Z2697164739 [0,0,0,0,1,0|3,0,0]=4 391 B10R1.27 OCC(O)CN1C=CC=C1 Z1255436209 [0,0,0,0,1,0|3,0,0]=4 392 B12R1.27 C/N=C(\N)/NCC1=CN=CC=C1 Z1090000620 [0,0,0,0,0,1|2,0,1]=4 393 B12R1.27 CC(C=O)CCC1=CC=CC=C1 Z1238838034 [0,0,0,0,0,1|2,0,1]=4 394 B12R1.27 CC(CO)COC1=CC=CC=C1 Z1255385347 [0,0,0,0,0,1|2,0,0]=3 395 B12R1.27 CC(CO)OCC1=CC=CC=C1 Z1492906786 [0,0,0,0,0,1|2,0,0]=3 396 B12R1.27 CC(COC1=CC=CC=C1)NN Z2286637842 [0,0,0,0,0,1|3,0,0]=4 397 B12R1.27 CCC(C)NCC1=CC=CC=C1 Z57981002 [0,0,0,0,0,1|1,0,0]=2 398 B12R1.27 CCC(N)CCC1=CC=CC=C1 Z406453862 [0,0,0,0,0,1|0,0,0]=1 399 B12R1.27 CCC(N)CNC1=CC=CC=C1 Z756919558 [0,0,0,0,0,1|0,0,0]=1 400 B12R1.27 CCC(N)CSC1=CC=CC=C1 Z1238715197 [0,0,0,0,0,1|0,0,0]=1 401 B12R1.27 CCC(O)CCC1=CN=CC=C1 Z1233227787 [0,0,0,0,0,1|2,0,0]=3 402 B12R1.27 CCC(O)CNC1=CC=CC=C1 Z600449702 [0,0,0,0,0,1|1,0,0]=2 403 B12R1.27 CNC(=O)CCC1=CC=CC=C1 Z32016418 [0,0,0,0,0,1|2,0,1]=4 404 B12R1.27 CNC(=O)COC1=CC=CC=C1 Z19735428 [0,0,0,0,0,1|2,0,1]=4 405 B12R1.27 CNC(=O)CSC1=CC=CC=C1 Z19750829 [0,0,0,0,0,1|2,0,1]=4 406 B12R1.27 CNC(=O)OCC1=CC=CC=C1 Z32016983 [0,0,0,0,0,1|2,0,1]=4 407 B12R1.27 COC(=O)CCC1=CC=CC=C1 Z18264384 [0,0,0,0,0,1|2,0,1]=4 408 B12R1.27 COC(=O)CNC1=CC=CC=C1 Z1250132387 [0,0,0,0,0,1|2,0,1]=4 409 B12R1.27 C[C@H](CO)NCC1=CC=CC=C1 Z823499606 [0,0,0,0,0,1|2,0,0]=3 410 B12R1.27 N/C(=N\O)/CCC1=CC=CC=C1 Z285132818 [0,0,0,0,0,1|2,0,1]=4 411 B12R1.27 N/C(=N\O)/COC1=CC=CC=C1 Z104341168 [0,0,0,0,0,1|2,0,1]=4 412 B12R1.27 NCC(=O)CCC1=CC=CC=C1 Z3719299469 [0,0,0,0,0,1|2,0,1]=4 413 B12R1.27 NCC(=O)NCC1=CC=CC=C1 Z398557160 [0,0,0,0,0,1|2,0,1]=4 414 B12R1.27 NCC(=O)OCC1=CC=CC=C1 Z56904671 [0,0,0,0,0,1|2,0,1]=4 415 B12R1.27 NCC(O)COC1=CC=CC=C1 Z271072310 [0,0,0,0,0,1|2,0,0]=3 416 B12R1.27 O=C(CCl)CCC1=CC=CC=C1 Z1255432257 [0,0,0,0,0,1|2,0,1]=4 417 B12R1.27 O=C(CCl)COC1=CC=CC=C1 Z1255416714 [0,0,0,0,0,1|2,0,1]=4 418 B12R1.27 O=C(CCl)NCC1=CC=CC=C1 Z56896328 [0,0,0,0,0,1|2,0,1]=4 419 B12R1.27 O=C(CO)NCC1=CC=CC=C1 Z228585446 [0,0,0,0,0,1|2,0,1]=4 420 B12R1.27 OC[C@H](O)COC1=CC=CC=C1 Z1201626370 [0,0,0,0,0,1|2,0,0]=3 421 B9R1.8 CCCC1=CC=CC=C1 Z104479154 [2,0,0,0,0,0|0,0,0]=2 422 B9R1.8 CCCC1=NC=CC=C1 Z1255434741 [2,0,0,0,0,0|1,0,0]=3 423 B9R1.8 CCCC1=NN=CC=C1 Z1486025396 [2,0,0,0,0,0|2,0,0]=4 424 B9R1.8 CCNC1=CC=CC=C1 Z104472482 [2,0,0,0,0,0|1,0,0]=3 425 B9R1.8 CCNC1=CC=NC=C1 Z359297730 [2,0,0,0,0,0|2,0,0]=4 426 B9R1.8 CCNC1=CN=CC=C1 Z334882416 [2,0,0,0,0,0|2,0,0]=4 427 B9R1.8 CCSC1=CC=NC=C1 Z1376454759 [2,0,0,0,0,0|2,0,0]=4 428 B9R1.8 CNCC1=CC=NC=C1 Z57390007 [2,0,0,0,0,0|2,0,0]=4 429 B9R1.8 CNCC1=CN=CC=C1 Z56963341 [2,0,0,0,0,0|2,0,0]=4 430 B9R1.8 CSCC1=CN=CC=C1 Z599631354 [2,0,0,0,0,0|2,0,0]=4 431 B9R1.8 NCCC1=CC=NC=C1 Z241056520 [2,0,0,0,0,0|1,0,0]=3 432 B9R1.8 NCCC1=CN=CC=C1 Z241056524 [2,0,0,0,0,0|1,0,0]=3 433 B9R1.8 NCCC1=CN=NC=C1 Z3070743015 [2,0,0,0,0,0|2,0,0]=4 434 B9R1.8 NCCC1=NC=CC=C1 Z104478200 [2,0,0,0,0,0|1,0,0]=3 435 B9R1.8 NCCC1=NC=CN=C1 Z1925930460 [2,0,0,0,0,0|2,0,0]=4 436 B9R1.8 NCCC1=NC=NC=C1 Z2935002210 [2,0,0,0,0,0|2,0,0]=4 437 B9R1.8 NNCC1=CC=CC=C1 Z56969306 [2,0,0,0,0,0|1,0,0]=3 438 B9R1.8 NNCC1=CN=CC=C1 Z370706826 [2,0,0,0,0,0|2,0,0]=4 439 B9R1.8 NOCC1=CC=CC=C1 Z90668722 [2,0,0,0,0,0|1,0,0]=3 440 B9R1.8 O=CCC1=CC=CC=C1 Z104472146 [2,0,0,0,0,0|1,0,1]=4 441 B9R1.8 OCCC1=CC=CC=C1 Z104473586 [2,0,0,0,0,0|1,0,0]=3 442 B9R1.8 OCCC1=CN=CC=C1 Z992949518 [2,0,0,0,0,0|2,0,0]=4 443 B9R1.8 OCCC1=NC=CC=C1 Z104473592 [2,0,0,0,0,0|2,0,0]=4 444 B11R1.1 BrCCOC1=CC=C(C=C1)Br Z56887702 [1,1,0,0,0,0|2,0,0]=4 445 B11R1.1 CC1=CC=C(C=C1)CCCN Z4639316723 [1,1,0,0,0,0|1,0,0]=3 446 B11R1.1 CC1=CC=C(C=C1)OCCBr Z56886357 [1,1,0,0,0,0|2,0,0]=4 447 B11R1.1 CC1=CC=C(C=C1)OCCN Z54747869 [1,1,0,0,0,0|2,0,0]=4 448 B11R1.1 CC1=CC=C(C=C1)SCCCl Z90122598 [1,1,0,0,0,0|2,0,0]=4 449 B11R1.1 CC1=CC=C(C=C1)SCCO Z149178580 [1,1,0,0,0,0|2,0,0]=4 450 B11R1.1 CCCCC1=CC=C(C=C1)N Z104475500 [1,1,0,0,0,0|0,0,0]=2 451 B11R1.1 CCCCC1=CN=C(N=C1)N Z1137168332 [1,1,0,0,0,0|2,0,0]=4 452 B11R1.1 CCCCC1=NC=C(C=N1)N Z1318447164 [1,1,0,0,0,0|2,0,0]=4 453 B11R1.1 CCCNC1=CC=C(C=C1)Cl Z1266933829 [1,1,0,0,0,0|1,0,0]=3 454 B11R1.1 CCCOC1=CC=C(C=C1)N Z239604724 [1,1,0,0,0,0|1,0,0]=3 455 B11R1.1 CCNCC1=CC=C(C=C1)F Z3244655509 [1,1,0,0,0,0|1,0,0]=3 456 B11R1.1 CCOCC1=CC=C(C=C1)Br Z823854370 [1,1,0,0,0,0|1,0,0]=3 457 B11R1.1 CCOCC1=CC=C(C=C1)N Z240084570 [1,1,0,0,0,0|1,0,0]=3 458 B11R1.1 CCSCC1=CC=C(C=C1)N Z332378208 [1,1,0,0,0,0|1,0,0]=3 459 B11R1.1 CNCCC1=CC=C(C=C1)Br Z385447024 [1,1,0,0,0,0|1,0,0]=3 460 B11R1.1 CNCCC1=CC=C(C=C1)C Z5115849578 [1,1,0,0,0,0|1,0,0]=3 461 B11R1.1 CNCCC1=CC=C(C=C1)Cl Z1623872266 [1,1,0,0,0,0|1,0,0]=3 462 B11R1.1 CNCCC1=CC=C(C=C1)F Z138454998 [1,1,0,0,0,0|1,0,0]=3 463 B11R1.1 COCCC1=CC=C(C=C1)Br Z299596190 [1,1,0,0,0,0|1,0,0]=3 464 B11R1.1 COCCC1=CC=C(C=C1)Cl Z1470894103 [1,1,0,0,0,0|1,0,0]=3 465 B11R1.1 COCCC1=CC=C(C=C1)O Z104485614 [1,1,0,0,0,0|1,0,0]=3 466 B11R1.1 COCOC1=CC=C(C=C1)N Z1259226853 [1,1,0,0,0,0|2,0,0]=4 467 B11R1.1 CSCCC1=CC=C(C=C1)N Z732207426 [1,1,0,0,0,0|1,0,0]=3 468 B11R1.1 ClC1=CC=C(C=C1)OCCBr Z56926557 [1,1,0,0,0,0|2,0,0]=4 469 B11R1.1 ClCCSC1=CC=C(C=C1)Cl Z55993025 [1,1,0,0,0,0|2,0,0]=4 470 B11R1.1 FCCOC1=CC=C(C=C1)Br Z1269166672 [1,1,0,0,0,0|2,0,0]=4 471 B11R1.1 N#CCCC1=CC=C(C=C1)N Z4750298565 [1,1,0,0,0,0|1,0,1]=4 472 B11R1.1 NC1=CC=C(C=C1)OCCF Z1262631146 [1,1,0,0,0,0|2,0,0]=4 473 B11R1.1 NC1=CC=C(C=C1)OCCO Z332379386 [1,1,0,0,0,0|2,0,0]=4 474 B11R1.1 NCCCC1=CC=C(C=C1)Br Z3980240042 [1,1,0,0,0,0|1,0,0]=3 475 B11R1.1 NCCCC1=CC=C(C=C1)Cl Z992716848 [1,1,0,0,0,0|1,0,0]=3 476 B11R1.1 NCCCC1=CC=C(C=C1)F Z3244753845 [1,1,0,0,0,0|1,0,0]=3 477 B11R1.1 NCCCC1=CC=C(C=C1)N Z5453008768 [1,1,0,0,0,0|1,0,0]=3 478 B11R1.1 NCCCC1=CC=C(C=C1)O Z1270210797 [1,1,0,0,0,0|1,0,0]=3 479 B11R1.1 NCCNC1=CC=C(C=C1)O Z3386315806 [1,1,0,0,0,0|2,0,0]=4 480 B11R1.1 NCCOC1=CC=C(C=C1)Br Z1262237188 [1,1,0,0,0,0|2,0,0]=4 481 B11R1.1 NCCOC1=CC=C(C=C1)Cl Z85957193 [1,1,0,0,0,0|2,0,0]=4 482 B11R1.1 NCCOC1=CC=C(C=C1)F Z87000937 [1,1,0,0,0,0|2,0,0]=4 483 B11R1.1 NCCOC1=CC=C(C=C1)I Z381428104 [1,1,0,0,0,0|2,0,0]=4 484 B11R1.1 NCCSC1=CC=C(C=C1)Br Z262221984 [1,1,0,0,0,0|2,0,0]=4 485 B11R1.1 NCCSC1=CC=C(C=C1)Cl Z54751093 [1,1,0,0,0,0|2,0,0]=4 486 B11R1.1 NCCSC1=CC=C(C=C1)F Z1267773811 [1,1,0,0,0,0|2,0,0]=4 487 B11R1.1 O=CCCC1=CC=C(C=C1)Br Z993017756 [1,1,0,0,0,0|1,0,1]=4 488 B11R1.1 O=CCCC1=CC=C(C=C1)Cl Z993017742 [1,1,0,0,0,0|1,0,1]=4 489 B11R1.1 O=CCCC1=CC=C(C=C1)F Z993017748 [1,1,0,0,0,0|1,0,1]=4 490 B11R1.1 OCCCC1=CC=C(C=C1)F Z992949550 [1,1,0,0,0,0|1,0,0]=3 491 B11R1.1 OCCNC1=CC=C(C=C1)Br Z335275406 [1,1,0,0,0,0|2,0,0]=4 492 B11R1.1 OCCOC1=CC=C(C=C1)Br Z335092354 [1,1,0,0,0,0|2,0,0]=4 493 B11R1.1 OCCOC1=CC=C(C=C1)O Z381414946 [1,1,0,0,0,0|2,0,0]=4 494 B11R1.1 OCCSC1=CC=C(C=C1)Br Z149190682 [1,1,0,0,0,0|2,0,0]=4 495 B11R1.1 OCCSC1=CC=C(C=C1)Cl Z149162370 [1,1,0,0,0,0|2,0,0]=4 496 B11R1.16 C#CCC(O)C1=CC=CC=C1 Z932373338 [1,1,0,0,0,0|0,0,2]=4 497 B11R1.16 CC(CC#N)C1=CC=CC=C1 Z1251357056 [1,1,0,0,0,0|1,0,1]=4 498 B11R1.16 CC(CC=O)C1=CC=CC=C1 Z57921394 [1,1,0,0,0,0|1,0,1]=4 499 B11R1.16 CCCC(=O)C1=CC=CC=C1 Z104477742 [1,1,0,0,0,0|0,0,1]=3 500 B11R1.16 CCCC(=O)C1=CN=CC=C1 Z513733856 [1,1,0,0,0,0|1,0,1]=4 501 B11R1.16 CCCC(=O)C1=NC=CC=C1 Z513733774 [1,1,0,0,0,0|1,0,1]=4 502 B11R1.16 CCCC(N)C1=NC=CC=C1 Z513795928 [1,1,0,0,0,0|1,0,0]=3 503 B11R1.16 CCCC(O)C1=CC=CC=C1 Z335244704 [1,1,0,0,0,0|0,0,0]=2 504 B11R1.16 CCNC(C)C1=CC=NC=C1 Z1695709422 [1,1,0,0,0,0|2,0,0]=4 505 B11R1.16 CCNC(C)C1=CN=CC=C1 Z163548568 [1,1,0,0,0,0|2,0,0]=4 506 B11R1.16 CCOC(=O)C1=CC=CC=C1 Z53835169 [1,1,0,0,0,0|1,0,1]=4 507 B11R1.16 CN(CCN)C1=CC=CC=C1 Z154669318 [1,1,0,0,0,0|2,0,0]=4 508 B11R1.16 CN(CCO)C1=CC=CC=C1 Z138702688 [1,1,0,0,0,0|2,0,0]=4 509 B11R1.16 CNCC(C)C1=CC=CC=C1 Z57797325 [1,1,0,0,0,0|1,0,0]=3 510 B11R1.16 COCC(N)C1=CC=CC=C1 Z271013088 [1,1,0,0,0,0|1,0,0]=3 511 B11R1.16 CSCC(=O)C1=CC=CC=C1 Z732208586 [1,1,0,0,0,0|1,0,1]=4 512 B11R1.16 CSCC(N)C1=CC=CC=C1 Z995116260 [1,1,0,0,0,0|1,0,0]=3 513 B11R1.16 N#CCC(N)C1=CC=CC=C1 Z1415893991 [1,1,0,0,0,0|1,0,1]=4 514 B11R1.16 NC(CCO)C1=CC=CC=C1 Z382816560 [1,1,0,0,0,0|1,0,0]=3 515 B11R1.16 NCCC(O)C1=CC=CC=C1 Z1020673398 [1,1,0,0,0,0|1,0,0]=3 516 B11R1.16 NCCS(=O)C1=CC=CC=C1 Z1266854955 [1,1,0,0,0,0|2,0,0]=4 517 B11R1.16 O=C(CCCl)C1=CC=CC=C1 Z1065610596 [1,1,0,0,0,0|1,0,1]=4 518 B11R1.16 O=S(CCCl)C1=CC=CC=C1 Z421771494 [1,1,0,0,0,0|2,0,0]=4 519 B11R1.16 O[C@@H](CCCl)C1=CC=CC=C1 Z1255427232 [1,1,0,0,0,0|1,0,0]=3 520 B11R1.16 O[C@H](CCCl)C1=CC=CC=C1 Z1255356297 [1,1,0,0,0,0|1,0,0]=3 521 B11R1.17 CC1=C(C=CC=C1)CCCN Z424782962 [1,1,0,0,0,0|1,0,0]=3 522 B11R1.17 CC1=C(C=CC=C1)CCCO Z979436644 [1,1,0,0,0,0|1,0,0]=3 523 B11R1.17 CC1=C(C=CC=C1)OCCN Z223656356 [1,1,0,0,0,0|2,0,0]=4 524 B11R1.17 CC1=C(N=CC=C1)CCCN Z1198262715 [1,1,0,0,0,0|2,0,0]=4 525 B11R1.17 CCCNC1=C(C=CC=C1)F Z334942896 [1,1,0,0,0,0|1,0,0]=3 526 B11R1.17 CCCNC1=C(C=CC=C1)N Z94601320 [1,1,0,0,0,0|1,0,0]=3 527 B11R1.17 CCCOC1=C(C=CC=C1)Br Z54722000 [1,1,0,0,0,0|1,0,0]=3 528 B11R1.17 CCCOC1=C(C=CC=C1)N Z56968930 [1,1,0,0,0,0|1,0,0]=3 529 B11R1.17 CCCOC1=C(C=CC=C1)O Z55993120 [1,1,0,0,0,0|1,0,0]=3 530 B11R1.17 CCNCC1=C(C=CC=C1)Br Z1982494002 [1,1,0,0,0,0|1,0,0]=3 531 B11R1.17 CCNCC1=C(C=CC=C1)C Z90513218 [1,1,0,0,0,0|1,0,0]=3 532 B11R1.17 CCNCC1=C(C=CC=C1)Cl Z90513164 [1,1,0,0,0,0|1,0,0]=3 533 B11R1.17 CCNCC1=C(C=CC=C1)F Z286282968 [1,1,0,0,0,0|1,0,0]=3 534 B11R1.17 CCNCC1=C(C=CC=C1)N Z2351947311 [1,1,0,0,0,0|1,0,0]=3 535 B11R1.17 CCOCC1=C(C=CC=C1)N Z285163822 [1,1,0,0,0,0|1,0,0]=3 536 B11R1.17 CCSCC1=C(N=CC=C1)N Z991493204 [1,1,0,0,0,0|2,0,0]=4 537 B11R1.17 CNCCC1=C(C=CC=C1)C Z2234185664 [1,1,0,0,0,0|1,0,0]=3 538 B11R1.17 CNCCC1=C(C=CC=C1)Cl Z4935566656 [1,1,0,0,0,0|1,0,0]=3 539 B11R1.17 CNCCC1=C(C=CC=C1)F Z163192604 [1,1,0,0,0,0|1,0,0]=3 540 B11R1.17 CNCCC1=C(C=CC=C1)O Z1665033474 [1,1,0,0,0,0|1,0,0]=3 541 B11R1.17 COCCC1=C(C=CC=C1)N Z992259832 [1,1,0,0,0,0|1,0,0]=3 542 B11R1.17 COCCN1C=CC=CC1=O Z285935542 [1,1,0,0,0,0|2,0,0]=4 543 B11R1.17 ClC1=C(C=CC=C1)OCCBr Z56886267 [1,1,0,0,0,0|2,0,0]=4 544 B11R1.17 N#CCCC1=C(C=CC=C1)Br Z815260584 [1,1,0,0,0,0|1,0,1]=4 545 B11R1.17 NC1=C(C=CC=C1)CCCO Z1198265858 [1,1,0,0,0,0|1,0,0]=3 546 B11R1.17 NC1=C(C=CC=C1)NCCO Z55928991 [1,1,0,0,0,0|2,0,0]=4 547 B11R1.17 NC1=C(C=CC=C1)OCCO Z3445703033 [1,1,0,0,0,0|2,0,0]=4 548 B11R1.17 NCCCC1=C(C=CC=C1)Cl Z1695729033 [1,1,0,0,0,0|1,0,0]=3 549 B11R1.17 NCCCC1=C(C=CC=C1)F Z424783030 [1,1,0,0,0,0|1,0,0]=3 550 B11R1.17 NCCCN1C=CC=CC1=O Z271005712 [1,1,0,0,0,0|2,0,0]=4 551 B11R1.17 NCCNC1=C(C=CC=C1)N Z991530054 [1,1,0,0,0,0|2,0,0]=4 552 B11R1.17 NCCOC1=C(C=CC=C1)Br Z803145324 [1,1,0,0,0,0|2,0,0]=4 553 B11R1.17 NCCOC1=C(C=CC=C1)Cl Z54747867 [1,1,0,0,0,0|2,0,0]=4 554 B11R1.17 NCCOC1=C(C=CC=C1)F Z1272739857 [1,1,0,0,0,0|2,0,0]=4 555 B11R1.17 NCCOC1=C(C=CC=C1)O Z3217405430 [1,1,0,0,0,0|2,0,0]=4 556 B11R1.17 NCCSC1=C(C=CC=C1)F Z57971449 [1,1,0,0,0,0|2,0,0]=4 557 B11R1.17 NNCCC1=C(C=CC=C1)F Z285144176 [1,1,0,0,0,0|2,0,0]=4 558 B11R1.17 O=C1C=CC=CN1CCCO Z425794816 [1,1,0,0,0,0|2,0,0]=4 559 B11R1.17 O=CCCC1=C(C=CC=C1)F Z993017602 [1,1,0,0,0,0|1,0,1]=4 560 B11R1.17 OCCCC1=C(C=CC=C1)Br Z992949552 [1,1,0,0,0,0|1,0,0]=3 561 B11R1.17 OCCOC1=C(C=CC=C1)Br Z149303034 [1,1,0,0,0,0|2,0,0]=4 562 B11R1.17 OCCOC1=C(C=CC=C1)F Z425795714 [1,1,0,0,0,0|2,0,0]=4 563 B11R1.17 OCCOC1=C(C=CC=C1)O Z56755902 [1,1,0,0,0,0|2,0,0]=4 564 B11R1.17 OCCSC1=C(C=CC=C1)Br Z149386602 [1,1,0,0,0,0|2,0,0]=4 565 B11R1.17 OCCSC1=C(C=CC=C1)Cl Z149174540 [1,1,0,0,0,0|2,0,0]=4 566 B11R1.24 BrCCOC1=CC(=CC=C1)Br Z56886268 [1,1,0,0,0,0|2,0,0]=4 567 B11R1.24 C=CCCC1=CC=CC(=C1)Br Z1269162615 [1,1,0,0,0,0|0,0,2]=4 568 B11R1.24 CC1=CC(=CC=C1)CCCN Z4993130622 [1,1,0,0,0,0|1,0,0]=3 569 B11R1.24 CC1=CC(=CC=C1)CCCO Z979436642 [1,1,0,0,0,0|1,0,0]=3 570 B11R1.24 CC1=CC(=CC=C1)OCCBr Z56886266 [1,1,0,0,0,0|2,0,0]=4 571 B11R1.24 CC1=CC(=CC=C1)OCCN Z85926240 [1,1,0,0,0,0|2,0,0]=4 572 B11R1.24 CC1=CC(=CN=C1)CCCO Z1216820424 [1,1,0,0,0,0|2,0,0]=4 573 B11R1.24 CC1=NC(=CC=C1)CCCO Z104479712 [1,1,0,0,0,0|2,0,0]=4 574 B11R1.24 CCCCC1=NC(=NC=C1)N Z1262627362 [1,1,0,0,0,0|2,0,0]=4 575 B11R1.24 CCCCC1=NC=NC(=C1)Cl Z1201628792 [1,1,0,0,0,0|2,0,0]=4 576 B11R1.24 CCCOC1=CC(=CC=C1)Br Z54848718 [1,1,0,0,0,0|1,0,0]=3 577 B11R1.24 CCCOC1=CC(=CC=C1)N Z239604770 [1,1,0,0,0,0|1,0,0]=3 578 B11R1.24 CCCOC1=CC(=CC=C1)O Z381415572 [1,1,0,0,0,0|1,0,0]=3 579 B11R1.24 CCNCC1=CC(=CC=C1)Br Z1138763375 [1,1,0,0,0,0|1,0,0]=3 580 B11R1.24 CCNCC1=CC(=CC=C1)C Z90513252 [1,1,0,0,0,0|1,0,0]=3 581 B11R1.24 CCNCC1=CC(=CC=C1)Cl Z90513201 [1,1,0,0,0,0|1,0,0]=3 582 B11R1.24 CCNCC1=CC(=CC=C1)F Z85935746 [1,1,0,0,0,0|1,0,0]=3 583 B11R1.24 CCNCC1=CC(=CN=C1)Br Z3244742192 [1,1,0,0,0,0|2,0,0]=4 584 B11R1.24 CCNCC1=NC(=CC=C1)C Z385447500 [1,1,0,0,0,0|2,0,0]=4 585 B11R1.24 CCOCC1=CC(=CC=C1)N Z285163820 [1,1,0,0,0,0|1,0,0]=3 586 B11R1.24 CCSCC1=CC(=CC=C1)N Z332378038 [1,1,0,0,0,0|1,0,0]=3 587 B11R1.24 CNCCC1=CC(=CC=C1)Br Z2168282744 [1,1,0,0,0,0|1,0,0]=3 588 B11R1.24 CNCCC1=CC(=CC=C1)O Z4924737523 [1,1,0,0,0,0|1,0,0]=3 589 B11R1.24 COCCC1=CC(=CC=C1)O Z1513911027 [1,1,0,0,0,0|1,0,0]=3 590 B11R1.24 COCCC1=CC(=NC=C1)N Z1333211037 [1,1,0,0,0,0|2,0,0]=4 591 B11R1.24 NC1=CC(=CC=C1)CCCO Z1198265859 [1,1,0,0,0,0|1,0,0]=3 592 B11R1.24 NC1=CC(=CC=C1)OCCF Z1262657442 [1,1,0,0,0,0|2,0,0]=4 593 B11R1.24 NCCCC1=CC(=CC=C1)Br Z1266823414 [1,1,0,0,0,0|1,0,0]=3 594 B11R1.24 NCCCC1=CC(=CC=C1)Cl Z1262246154 [1,1,0,0,0,0|1,0,0]=3 595 B11R1.24 NCCCC1=CC(=CC=C1)F Z424782946 [1,1,0,0,0,0|1,0,0]=3 596 B11R1.24 NCCCC1=CC(=CC=C1)O Z1895582955 [1,1,0,0,0,0|1,0,0]=3 597 B11R1.24 NCCCC1=CC(=CN=C1)F Z4446765955 [1,1,0,0,0,0|2,0,0]=4 598 B11R1.24 NCCOC1=CC(=CC=C1)Br Z744843646 [1,1,0,0,0,0|2,0,0]=4 599 B11R1.24 NCCOC1=CC(=CC=C1)Cl Z425484860 [1,1,0,0,0,0|2,0,0]=4 600 B11R1.24 NCCOC1=CC(=CC=C1)F Z381785786 [1,1,0,0,0,0|2,0,0]=4 601 B11R1.24 O=CCCC1=CC=CC(=C1)Cl Z993017744 [1,1,0,0,0,0|1,0,1]=4 602 B11R1.24 O=CCCC1=CC=CC(=C1)F Z993017622 [1,1,0,0,0,0|1,0,1]=4 603 B11R1.24 OCCNC1=CC(=CC=C1)F Z335274246 [1,1,0,0,0,0|2,0,0]=4 604 B11R1.24 OCCOC1=CC(=CC=C1)Br Z335092356 [1,1,0,0,0,0|2,0,0]=4 605 B11R1.24 OCCOC1=CC(=CC=C1)Cl Z149166432 [1,1,0,0,0,0|2,0,0]=4 606 B11R1.28 BrCCCOC1=CC=CC=C1 Z90122132 [1,1,0,0,0,0|1,0,0]=3 607 B11R1.28 C#CCCOC1=CC=CC=C1 Z1143222703 [1,1,0,0,0,0|0,0,2]=4 608 B11R1.28 C#CCNCC1=CC=CC=C1 Z2082999436 [1,1,0,0,0,0|0,0,2]=4 609 B11R1.28 C=CCNCC1=CC=CC=C1 Z86135577 [1,1,0,0,0,0|0,0,2]=4 610 B11R1.28 CCCCCC1=CC=CC=C1 Z199507042 [1,1,0,0,0,0|0,0,0]=2 611 B11R1.28 CCCCNC1=CC=NC=C1 Z359299136 [1,1,0,0,0,0|1,0,0]=3 612 B11R1.28 CCCCNC1=NC=CN=C1 Z31215149 [1,1,0,0,0,0|2,0,0]=4 613 B11R1.28 CCCNCC1=CC=CC=C1 Z56946091 [1,1,0,0,0,0|0,0,0]=2 614 B11R1.28 CCCNCC1=CC=NC=C1 Z3247723488 [1,1,0,0,0,0|1,0,0]=3 615 B11R1.28 CCCNCC1=CN=CC=C1 Z3247723489 [1,1,0,0,0,0|1,0,0]=3 616 B11R1.28 CCCNCC1=NC=CC=C1 Z4401052052 [1,1,0,0,0,0|1,0,0]=3 617 B11R1.28 CCNCCC1=CC=CC=C1 Z444350074 [1,1,0,0,0,0|0,0,0]=2 618 B11R1.28 CCNCCC1=NC=CC=C1 Z138534138 [1,1,0,0,0,0|1,0,0]=3 619 B11R1.28 CCOCCC1=CC=CC=C1 Z1198150519 [1,1,0,0,0,0|0,0,0]=2 620 B11R1.28 CNCCCC1=CC=CC=C1 Z102767020 [1,1,0,0,0,0|0,0,0]=2 621 B11R1.28 CNCCNC1=NC=CC=C1 Z3033960688 [1,1,0,0,0,0|2,0,0]=4 622 B11R1.28 CNCCOC1=CC=CC=C1 Z56945505 [1,1,0,0,0,0|1,0,0]=3 623 B11R1.28 COCCNC1=CC=CC=C1 Z266463556 [1,1,0,0,0,0|1,0,0]=3 624 B11R1.28 COCCNC1=CC=NC=C1 Z359297138 [1,1,0,0,0,0|2,0,0]=4 625 B11R1.28 ClCCCOC1=CC=CC=C1 Z275020186 [1,1,0,0,0,0|1,0,0]=3 626 B11R1.28 ClCCNCC1=CC=CC=C1 Z57158447 [1,1,0,0,0,0|1,0,0]=3 627 B11R1.28 N#CCCNC1=CC=CC=C1 Z56915949 [1,1,0,0,0,0|1,0,1]=4 628 B11R1.28 N#CCCOC1=CC=CC=C1 Z54337114 [1,1,0,0,0,0|1,0,1]=4 629 B11R1.28 N#CCNCC1=CC=CC=C1 Z266079624 [1,1,0,0,0,0|1,0,1]=4 630 B11R1.28 N#CCOCC1=CC=CC=C1 Z295205356 [1,1,0,0,0,0|1,0,1]=4 631 B11R1.28 N#CCSCC1=CC=CC=C1 Z54337756 [1,1,0,0,0,0|1,0,1]=4 632 B11R1.28 NCCCCC1=CC=CC=C1 Z2574929438 [1,1,0,0,0,0|0,0,0]=2 633 B11R1.28 NCCCCC1=CC=NC=C1 Z3234944907 [1,1,0,0,0,0|1,0,0]=3 634 B11R1.28 NCCCNC1=CC=CC=C1 Z756919512 [1,1,0,0,0,0|1,0,0]=3 635 B11R1.28 NCCCNC1=CC=NC=C1 Z317257864 [1,1,0,0,0,0|2,0,0]=4 636 B11R1.28 NCCCNC1=NC=CC=C1 Z234895141 [1,1,0,0,0,0|2,0,0]=4 637 B11R1.28 NCCCOC1=CC=CC=C1 Z234895129 [1,1,0,0,0,0|1,0,0]=3 638 B11R1.28 NCCCOC1=CC=NC=C1 Z976694292 [1,1,0,0,0,0|2,0,0]=4 639 B11R1.28 NCCCSC1=CC=CC=C1 Z262222134 [1,1,0,0,0,0|1,0,0]=3 640 B11R1.28 NCCCSC1=NC=CC=C1 Z2028214397 [1,1,0,0,0,0|2,0,0]=4 641 B11R1.28 NCCNCC1=NC=CC=C1 Z600492946 [1,1,0,0,0,0|2,0,0]=4 642 B11R1.28 NCCOCC1=CC=CC=C1 Z271005946 [1,1,0,0,0,0|1,0,0]=3 643 B11R1.28 O=CCCCC1=CC=CC=C1 Z993017616 [1,1,0,0,0,0|0,0,1]=3 644 B11R1.28 O=CCOCC1=CC=CC=C1 Z906195396 [1,1,0,0,0,0|1,0,1]=4 645 B11R1.28 O=CCSCC1=CC=CC=C1 Z854102762 [1,1,0,0,0,0|1,0,1]=4 646 B11R1.28 OCCCNC1=CC=CC=C1 Z104584292 [1,1,0,0,0,0|1,0,0]=3 647 B11R1.28 OCCCNC1=CC=NC=C1 Z359301948 [1,1,0,0,0,0|2,0,0]=4 648 B11R1.28 OCCCNC1=NC=CC=C1 Z31220937 [1,1,0,0,0,0|2,0,0]=4 649 B11R1.28 OCCCSC1=CC=CC=C1 Z104650330 [1,1,0,0,0,0|1,0,0]=3 650 B11R1.28 OCCNCC1=CN=CC=C1 Z90504502 [1,1,0,0,0,0|2,0,0]=4 651 B11R1.28 OCCOCC1=CC=CC=C1 Z854223062 [1,1,0,0,0,0|1,0,0]=3 652 B11R1.28 S=C=NCCC1=CC=CC=C1 Z56924472 [1,1,0,0,0,0|1,0,1]=4 653 B11R1.91 CC(=O)CSC1=CC=CC=C1 Z19751394 [1,1,0,0,0,0|1,0,1]=4 654 B11R1.91 CC(=O)NCC1=CC=CC=C1 Z27749489 [1,1,0,0,0,0|1,0,1]=4 655 B11R1.91 CC(=O)OCC1=CC=CC=C1 Z19628364 [1,1,0,0,0,0|1,0,1]=4 656 B11R1.91 CC(C)CCC1=NC=CN=C1 Z1198147436 [1,1,0,0,0,0|2,0,0]=4 657 B11R1.91 CC(C)CNC1=CC=CC=C1 Z2092369729 [1,1,0,0,0,0|1,0,0]=3 658 B11R1.91 CC(C)COC1=CN=CC=C1 Z1606818727 [1,1,0,0,0,0|2,0,0]=4 659 B11R1.91 CC(C)NCC1=CN=CC=C1 Z90502194 [1,1,0,0,0,0|2,0,0]=4 660 B11R1.91 CC(C)NCC1=NC=CC=C1 Z90502192 [1,1,0,0,0,0|2,0,0]=4 661 B11R1.91 CC(N)CCC1=CC=CC=C1 Z104476462 [1,1,0,0,0,0|0,0,0]=2 662 B11R1.91 CC(N)COC1=CC=CC=C1 Z600397650 [1,1,0,0,0,0|1,0,0]=3 663 B11R1.91 CC(O)CNC1=CC=CC=C1 Z234898271 [1,1,0,0,0,0|1,0,0]=3 664 B11R1.91 CN(C)CCC1=CC=CC=C1 Z168912026 [1,1,0,0,0,0|1,0,0]=3 665 B11R1.91 C[C@H](N)CCC1=CC=CC=C1 Z5044990030 [1,1,0,0,0,0|0,0,0]=2 666 B11R1.91 FC(F)SCC1=CC=CC=C1 Z55626056 [1,1,0,0,0,0|2,0,0]=4 667 B11R1.91 N=C(N)CCC1=CC=CC=C1 Z2092176896 [1,1,0,0,0,0|1,0,1]=4 668 B11R1.91 NC(=O)CCC1=CC=CC=C1 Z33546514 [1,1,0,0,0,0|1,0,1]=4 669 B11R1.91 NC(=S)CCC1=CC=CC=C1 Z56824950 [1,1,0,0,0,0|1,0,1]=4 670 B11R1.91 O=C(O)CCC1=CC=CC=C1 Z57127332 [1,1,0,0,0,0|1,0,1]=4 671 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 Z995234780 [1,1,0,0,0,0|2,0,0]=4 672 B11R1.91 OB(O)CCC1=CC=CC=C1 Z1147227790 [1,1,0,0,0,0|2,0,0]=4 673 B11R1.20 CC(=O)CC1=CC=C(C=C1)F Z329711590 [1,1,0,0,0,0|1,0,1]=4 674 B11R1.20 CC(C)CC1=CC=C(C=C1)N Z1463350056 [1,1,0,0,0,0|1,0,0]=3 675 B11R1.20 CC(C)CC1=NC=C(C=C1)Br Z1269179231 [1,1,0,0,0,0|2,0,0]=4 676 B11R1.20 CC(C)NC1=CC=C(C=C1)Cl Z993967140 [1,1,0,0,0,0|2,0,0]=4 677 B11R1.20 CC(C)NC1=CC=C(C=C1)F Z266481896 [1,1,0,0,0,0|2,0,0]=4 678 B11R1.20 CC(C)OC1=CC=C(C=C1)Br Z53834735 [1,1,0,0,0,0|2,0,0]=4 679 B11R1.20 CC(C)OC1=CC=C(C=C1)I Z54181200 [1,1,0,0,0,0|2,0,0]=4 680 B11R1.20 CC(N)CC1=CC=C(C=C1)O Z57102382 [1,1,0,0,0,0|0,0,0]=2 681 B11R1.20 CC1=CC=C(C=C1)CC(=N)N Z3244909870 [1,1,0,0,0,0|1,0,1]=4 682 B11R1.20 CC1=CC=C(C=C1)NC(C)C Z992717194 [1,1,0,0,0,0|2,0,0]=4 683 B11R1.20 CC1=CC=C(C=C1)OC(C)C Z53834229 [1,1,0,0,0,0|2,0,0]=4 684 B11R1.20 CN(C)CC1=CC=C(C=C1)N Z228584348 [1,1,0,0,0,0|2,0,0]=4 685 B11R1.20 N=C(N)CC1=CC=C(C=C1)Br Z1518844582 [1,1,0,0,0,0|1,0,1]=4 686 B11R1.20 N=C(N)CC1=CC=C(C=C1)F Z415636754 [1,1,0,0,0,0|1,0,1]=4 687 B11R1.20 NC(=O)CC1=CC=C(C=C1)Br Z33546958 [1,1,0,0,0,0|1,0,1]=4 688 B11R1.20 NC(=O)CC1=CC=C(C=C1)Cl Z33546677 [1,1,0,0,0,0|1,0,1]=4 689 B11R1.20 NC(=O)CC1=CC=C(C=C1)F Z33546755 [1,1,0,0,0,0|1,0,1]=4 690 B11R1.20 NC(=O)CC1=CC=C(C=C1)N Z234895133 [1,1,0,0,0,0|1,0,1]=4 691 B11R1.20 NC(=S)CC1=CC=C(C=C1)F Z285131734 [1,1,0,0,0,0|1,0,1]=4 692 B11R1.36 CC(=O)C(C)C1=CC=CC=C1 Z1255383314 [1,1,0,0,0,0|1,0,1]=4 693 B11R1.36 CC(=O)C(N)C1=CC=CC=C1 Z3234810419 [1,1,0,0,0,0|1,0,1]=4 694 B11R1.36 CC(C(=O)N)C1=CC=CC=C1 Z1255506457 [1,1,0,0,0,0|1,0,1]=4 695 B11R1.36 CC(C)C(N)C1=CC=NC=C1 Z513796098 [1,1,0,0,0,0|2,0,0]=4 696 B11R1.36 CC(C)C(N)C1=NC=CC=C1 Z513795924 [1,1,0,0,0,0|2,0,0]=4 697 B11R1.36 CC(C)C(O)C1=NC=CC=C1 Z513749462 [1,1,0,0,0,0|2,0,0]=4 698 B11R1.36 CC(Cl)C(=O)C1=CC=CC=C1 Z199509008 [1,1,0,0,0,0|1,0,1]=4 699 B11R1.36 CC(N)C(C)C1=CC=CC=C1 Z1203578901 [1,1,0,0,0,0|0,0,0]=2 700 B11R1.36 CC(N)C(O)C1=CC=NC=C1 Z1263602353 [1,1,0,0,0,0|1,0,0]=3 701 B11R1.36 CC(O)C(N)C1=CC=CC=C1 Z2588063686 [1,1,0,0,0,0|1,0,0]=3 702 B11R1.36 NC(=O)C(Cl)C1=CC=CC=C1 Z57069256 [1,1,0,0,0,0|1,0,1]=4 703 B11R1.36 NC(=O)C(N)C1=CC=CC=C1 Z57204607 [1,1,0,0,0,0|1,0,1]=4 704 B11R1.36 NC(C1=CC=CC=C1)C(F)F Z2211231766 [1,1,0,0,0,0|2,0,0]=4 705 B11R1.86 CC(=O)CC1=C(C=CC=C1)C Z329711570 [1,1,0,0,0,0|1,0,1]=4 706 B11R1.86 CC(=O)CC1=C(C=CC=C1)Cl Z329711556 [1,1,0,0,0,0|1,0,1]=4 707 B11R1.86 CC(=O)CC1=C(C=CC=C1)I Z1335657335 [1,1,0,0,0,0|1,0,1]=4 708 B11R1.86 CC(=O)CC1=C(C=CC=C1)O Z1198152110 [1,1,0,0,0,0|1,0,1]=4 709 B11R1.86 CC(C)CC1=C(C=CC=C1)N Z1171158156 [1,1,0,0,0,0|1,0,0]=3 710 B11R1.86 CC(C)NC1=C(C=CC=C1)Br Z334939134 [1,1,0,0,0,0|2,0,0]=4 711 B11R1.86 CC(C)NC1=C(C=CC=C1)I Z362774390 [1,1,0,0,0,0|2,0,0]=4 712 B11R1.86 CC(C)OC1=C(C=CC=C1)Br Z54690481 [1,1,0,0,0,0|2,0,0]=4 713 B11R1.86 CC(C)OC1=C(C=CC=C1)Cl Z53833775 [1,1,0,0,0,0|2,0,0]=4 714 B11R1.86 CC(C)OC1=C(C=CC=C1)N Z239604736 [1,1,0,0,0,0|2,0,0]=4 715 B11R1.86 CC(C)SC1=C(C=CC=C1)N Z316174692 [1,1,0,0,0,0|2,0,0]=4 716 B11R1.86 CC(N)CC1=C(C=CC=C1)Br Z1416200939 [1,1,0,0,0,0|0,0,0]=2 717 B11R1.86 CC(N)CC1=C(C=CC=C1)Cl Z415728108 [1,1,0,0,0,0|0,0,0]=2 718 B11R1.86 CC1=C(C=CC=C1)CC(=N)N Z1374778803 [1,1,0,0,0,0|1,0,1]=4 719 B11R1.86 CC1=C(C=CC=C1)CC(=O)N Z52214433 [1,1,0,0,0,0|1,0,1]=4 720 B11R1.86 CC1=C(C=CC=C1)CC(C)N Z594038086 [1,1,0,0,0,0|0,0,0]=2 721 B11R1.86 CC1=C(C=CC=C1)NC(C)C Z267168760 [1,1,0,0,0,0|2,0,0]=4 722 B11R1.86 CC1=C(C=CN=C1)CC(C)N Z4926043046 [1,1,0,0,0,0|1,0,0]=3 723 B11R1.86 CN(C)CC1=C(C=CC=C1)Cl Z54750062 [1,1,0,0,0,0|2,0,0]=4 724 B11R1.86 CN(C)CC1=C(C=CC=C1)N Z285162890 [1,1,0,0,0,0|2,0,0]=4 725 B11R1.86 CS(=O)CC1=C(C=CC=C1)N Z802580910 [1,1,0,0,0,0|2,0,0]=4 726 B11R1.86 N=C(N)CC1=C(C=CC=C1)Br Z1742055055 [1,1,0,0,0,0|1,0,1]=4 727 B11R1.86 N=C(N)CC1=C(C=CC=C1)F Z1695738915 [1,1,0,0,0,0|1,0,1]=4 728 B11R1.86 NC(=O)CC1=C(C=CC=C1)Cl Z33547171 [1,1,0,0,0,0|1,0,1]=4 729 B11R1.86 NC(=O)CC1=C(C=CC=C1)F Z33546803 [1,1,0,0,0,0|1,0,1]=4 730 B11R1.86 NC(=O)CC1=C(C=CC=C1)N Z239125326 [1,1,0,0,0,0|1,0,1]=4 731 B11R1.86 NC(=O)CC1=C(C=CC=C1)O Z1255356155 [1,1,0,0,0,0|1,0,1]=4 732 B11R1.157 CC(=O)CC1=CC(=CC=C1)Br Z513735382 [1,1,0,0,0,0|1,0,1]=4 733 B11R1.157 CC(=O)CC1=CC(=CC=C1)Cl Z513733552 [1,1,0,0,0,0|1,0,1]=4 734 B11R1.157 CC(=O)CC1=CC(=CC=C1)F Z329711550 [1,1,0,0,0,0|1,0,1]=4 735 B11R1.157 CC(C)CC1=CC(=CC=C1)I Z1618143122 [1,1,0,0,0,0|1,0,0]=3 736 B11R1.157 CC(C)CC1=CC(=NC=C1)N Z1197889925 [1,1,0,0,0,0|2,0,0]=4 737 B11R1.157 CC(C)NC1=CC(=CC=C1)Br Z266469772 [1,1,0,0,0,0|2,0,0]=4 738 B11R1.157 CC(C)NC1=CC(=CC=C1)F Z266497380 [1,1,0,0,0,0|2,0,0]=4 739 B11R1.157 CC(C)NC1=CC(=CC=C1)O Z335562192 [1,1,0,0,0,0|2,0,0]=4 740 B11R1.157 CC(C)OC1=CC(=CC=C1)Br Z53833977 [1,1,0,0,0,0|2,0,0]=4 741 B11R1.157 CC(C)OC1=CC(=CC=C1)N Z239604760 [1,1,0,0,0,0|2,0,0]=4 742 B11R1.157 CC(C)OC1=CC(=CC=C1)O Z381415570 [1,1,0,0,0,0|2,0,0]=4 743 B11R1.157 CC(N)CC1=CC(=CC=C1)Br Z1259341031 [1,1,0,0,0,0|0,0,0]=2 744 B11R1.157 CC(N)CC1=CC(=CC=C1)Cl Z425389644 [1,1,0,0,0,0|0,0,0]=2 745 B11R1.157 CC(N)CC1=CC(=CC=C1)O Z285144026 [1,1,0,0,0,0|0,0,0]=2 746 B11R1.157 CC(O)CC1=CC(=CC=C1)F Z513751286 [1,1,0,0,0,0|1,0,0]=3 747 B11R1.157 CN(C)CC1=CC(=CC=C1)N Z285162888 [1,1,0,0,0,0|2,0,0]=4 748 B11R1.157 CS(=O)CC1=CC(=CC=C1)N Z802580778 [1,1,0,0,0,0|2,0,0]=4 749 B11R1.157 N=C(N)CC1=CC(=CC=C1)Br Z1636723568 [1,1,0,0,0,0|1,0,1]=4 750 B11R1.157 N=C(N)CC1=CC(=CC=C1)F Z1695709629 [1,1,0,0,0,0|1,0,1]=4 751 B11R1.157 NC(=O)CC1=CC(=CC=C1)Cl Z992289380 [1,1,0,0,0,0|1,0,1]=4 752 B11R1.157 NC(=O)CC1=CC(=CC=C1)I Z1419030795 [1,1,0,0,0,0|1,0,1]=4 753 B11R1.157 NC(=O)CC1=CC(=CC=C1)O Z816010252 [1,1,0,0,0,0|1,0,1]=4 754 B11R1.157 NC1=CC(=CC=C1)CC(F)F Z4075414750 [1,1,0,0,0,0|2,0,0]=4 755 B11R1.509 NS(=O)(=O)CC1=CC=CC=C1 Z89268868 [1,1,0,0,0,0|2,0,0]=4 756 B11R1.7 CC(C)(CN)C1=CC=CC=C1 Z291234238 [0,1,0,0,1,0|2,0,0]=4 757 B11R1.7 CC(C)(CO)C1=CC=CC=C1 Z397587218 [0,1,0,0,1,0|2,0,0]=4 758 B11R1.7 CC(F)(CN)C1=CC=CC=C1 Z2768234774 [0,1,0,0,1,0|2,0,0]=4 759 B11R1.7 CC(N)(CO)C1=CC=CC=C1 Z734150992 [0,1,0,0,1,0|1,0,0]=3 760 B11R1.7 CC(O)(CN)C1=CC=CC=C1 Z979721628 [0,1,0,0,1,0|2,0,0]=4 761 B11R1.7 CCC(C)(N)C1=CC=CC=C1 Z449373366 [0,1,0,0,1,0|0,0,0]=2 762 B11R1.7 CCC(C)(O)C1=CC=CC=C1 Z449373348 [0,1,0,0,1,0|1,0,0]=3 763 B11R1.7 CNC(C)(C)C1=CC=CC=C1 Z991114970 [0,1,0,0,1,0|2,0,0]=4 764 B11R1.7 NCC(F)(F)C1=CC=CC=C1 Z2168499583 [0,1,0,0,1,0|2,0,0]=4 765 B11R1.12 CCC(C=O)C1=CC=CC=C1 Z1079132778 [0,1,0,0,1,0|1,0,0]=3 766 B11R1.12 CCC(CC)C1=CC=NC=C1 Z104493650 [0,1,0,0,1,0|2,0,0]=4 767 B11R1.12 CCC(CN)C1=CC=CC=C1 Z85956799 [0,1,0,0,1,0|0,0,0]=2 768 B11R1.12 CCC(CO)C1=CC=CC=C1 Z397587442 [0,1,0,0,1,0|1,0,0]=3 769 B11R1.12 CCC(NC)C1=CC=NC=C1 Z513800486 [0,1,0,0,1,0|1,0,0]=3 770 B11R1.12 CCN(C#N)C1=CC=CC=C1 Z1374910132 [0,1,0,0,1,0|1,0,1]=4 771 B11R1.12 CCN(CC)C1=CC=CC=C1 Z57770738 [0,1,0,0,1,0|2,0,0]=4 772 B11R1.12 CNC(CO)C1=CC=CC=C1 Z734147276 [0,1,0,0,1,0|1,0,0]=3 773 B11R1.12 COC(CN)C1=CC=CC=C1 Z285139084 [0,1,0,0,1,0|1,0,0]=3 774 B11R1.12 NCC(CO)C1=CC=CC=C1 Z1198168251 [0,1,0,0,1,0|1,0,0]=3 775 B11R1.12 OCC(CO)C1=CC=CC=C1 Z1255395467 [0,1,0,0,1,0|2,0,0]=4 776 B11R1.22 C#CC(N)C1=CC=C(C=C1)Br Z3378112680 [0,1,0,0,1,0|0,0,2]=4 777 B11R1.22 CC(CN)C1=CC=C(C=C1)Br Z2906280360 [0,1,0,0,1,0|2,0,0]=4 778 B11R1.22 CC(CN)C1=CC=C(C=C1)F Z415654954 [0,1,0,0,1,0|2,0,0]=4 779 B11R1.22 CC(CO)C1=CC=C(C=C1)F Z1255440783 [0,1,0,0,1,0|2,0,0]=4 780 B11R1.22 CC1=CC=C(C=C1)C(C)CN Z415654970 [0,1,0,0,1,0|2,0,0]=4 781 B11R1.22 CC1=CC=C(C=C1)C(N)CF Z2474474695 [0,1,0,0,1,0|1,0,0]=3 782 B11R1.22 CC1=CC=C(C=C1)C(N)CO Z5087131901 [0,1,0,0,1,0|1,0,0]=3 783 B11R1.22 CC1=CC=C(C=C1)C(O)CN Z336086536 [0,1,0,0,1,0|2,0,0]=4 784 B11R1.22 CC1=CC=C(C=C1)[C@@H](O)CN Z1895741843 [0,1,0,0,1,0|2,0,0]=4 785 B11R1.22 CCC(=O)C1=CC=C(C=C1)Br Z104485724 [0,1,0,0,1,0|1,0,1]=4 786 B11R1.22 CCC(=O)C1=CC=C(C=C1)Cl Z104477486 [0,1,0,0,1,0|1,0,1]=4 787 B11R1.22 CCC(=O)C1=CC=C(C=C1)F Z104477898 [0,1,0,0,1,0|1,0,1]=4 788 B11R1.22 CCC(=O)C1=CC=C(C=C1)I Z285137052 [0,1,0,0,1,0|1,0,1]=4 789 B11R1.22 CCC(=O)C1=CC=C(C=C1)N Z1203578051 [0,1,0,0,1,0|1,0,1]=4 790 B11R1.22 CCC(=O)C1=CC=C(C=C1)O Z104499156 [0,1,0,0,1,0|1,0,1]=4 791 B11R1.22 CCC(C)C1=CC=C(C=C1)O Z104484172 [0,1,0,0,1,0|1,0,0]=3 792 B11R1.22 CCC(N)C1=CC=C(C=C1)Br Z90662172 [0,1,0,0,1,0|0,0,0]=2 793 B11R1.22 CCC(N)C1=CC=C(C=C1)C Z90662186 [0,1,0,0,1,0|0,0,0]=2 794 B11R1.22 CCC(N)C1=CC=C(C=C1)Cl Z221421644 [0,1,0,0,1,0|0,0,0]=2 795 B11R1.22 CCC(O)C1=CC=C(C=C1)C Z228586316 [0,1,0,0,1,0|1,0,0]=3 796 B11R1.22 CCC(O)C1=CC=C(C=C1)Cl Z228586168 [0,1,0,0,1,0|1,0,0]=3 797 B11R1.22 CCC(O)C1=CC=C(C=C1)F Z228586174 [0,1,0,0,1,0|1,0,0]=3 798 B11R1.22 CCC(O)C1=CC=C(C=C1)O Z228586170 [0,1,0,0,1,0|1,0,0]=3 799 B11R1.22 CCC(O)C1=NC=C(C=C1)F Z1341678257 [0,1,0,0,1,0|2,0,0]=4 800 B11R1.22 CCS(=O)C1=CC=C(C=C1)F Z1154828228 [0,1,0,0,1,0|2,0,0]=4 801 B11R1.22 CC[C@@H](N)C1=CC=C(C=C1)F Z1626921240 [0,1,0,0,1,0|0,0,0]=2 802 B11R1.22 CC[C@H](N)C1=CC=C(C=C1)F Z1625822291 [0,1,0,0,1,0|0,0,0]=2 803 B11R1.22 CNC(C)C1=CC=C(C=C1)C Z239628686 [0,1,0,0,1,0|2,0,0]=4 804 B11R1.22 CNC(C)C1=CC=C(C=C1)Cl Z159528172 [0,1,0,0,1,0|2,0,0]=4 805 B11R1.22 CNC(C)C1=CC=C(C=C1)F Z166605480 [0,1,0,0,1,0|2,0,0]=4 806 B11R1.22 CNC(C)C1=CC=C(C=C1)O Z316170374 [0,1,0,0,1,0|2,0,0]=4 807 B11R1.22 N#CC(N)C1=CC=C(C=C1)Cl Z1262246247 [0,1,0,0,1,0|1,0,1]=4 808 B11R1.22 N#CC(N)C1=CC=C(C=C1)F Z99599728 [0,1,0,0,1,0|1,0,1]=4 809 B11R1.22 NC(CF)C1=CC=C(C=C1)Cl Z1510155807 [0,1,0,0,1,0|1,0,0]=3 810 B11R1.22 NC(CO)C1=CC=C(C=C1)Br Z2188171600 [0,1,0,0,1,0|1,0,0]=3 811 B11R1.22 NC(CO)C1=CC=C(C=C1)F Z1268152327 [0,1,0,0,1,0|1,0,0]=3 812 B11R1.22 NCC(O)C1=CC=C(C=C1)Cl Z295878600 [0,1,0,0,1,0|2,0,0]=4 813 B11R1.23 C#CC(N)C1=CC(=CC=C1)Br Z4120296552 [0,1,0,0,1,0|0,0,2]=4 814 B11R1.23 CC(CN)C1=CC(=CC=C1)Br Z5094147873 [0,1,0,0,1,0|2,0,0]=4 815 B11R1.23 CC(CN)C1=CC(=CC=C1)F Z415654914 [0,1,0,0,1,0|2,0,0]=4 816 B11R1.23 CC(CO)C1=CC(=CC=C1)Br Z1269177166 [0,1,0,0,1,0|2,0,0]=4 817 B11R1.23 CC(CO)C1=CC(=CC=C1)Cl Z1222424631 [0,1,0,0,1,0|2,0,0]=4 818 B11R1.23 CC1=CC(=CC=C1)C(O)CN Z336086464 [0,1,0,0,1,0|2,0,0]=4 819 B11R1.23 CCC(=O)C1=CC(=CC=C1)Br Z104486266 [0,1,0,0,1,0|1,0,1]=4 820 B11R1.23 CCC(=O)C1=CC(=CC=C1)Cl Z104477758 [0,1,0,0,1,0|1,0,1]=4 821 B11R1.23 CCC(=O)C1=CC(=CC=C1)N Z1203578334 [0,1,0,0,1,0|1,0,1]=4 822 B11R1.23 CCC(N)C1=CC(=CC=C1)Cl Z239627026 [0,1,0,0,1,0|0,0,0]=2 823 B11R1.23 CCC(N)C1=CC(=CC=C1)O Z4164634595 [0,1,0,0,1,0|0,0,0]=2 824 B11R1.23 CCC(N)C1=NC(=CC=C1)C Z4457910024 [0,1,0,0,1,0|1,0,0]=3 825 B11R1.23 CCC(O)C1=CC(=CC=C1)Br Z228586280 [0,1,0,0,1,0|1,0,0]=3 826 B11R1.23 CCC(O)C1=CC(=CC=C1)Cl Z335245132 [0,1,0,0,1,0|1,0,0]=3 827 B11R1.23 CCC(O)C1=CC(=CC=C1)N Z1262626036 [0,1,0,0,1,0|1,0,0]=3 828 B11R1.23 CNC(C)C1=CC(=CC=C1)Cl Z159528162 [0,1,0,0,1,0|2,0,0]=4 829 B11R1.23 CNC(C)C1=CC(=CC=C1)O Z1266854844 [0,1,0,0,1,0|2,0,0]=4 830 B11R1.23 COC(C)C1=CC(=CC=C1)N Z801781454 [0,1,0,0,1,0|2,0,0]=4 831 B11R1.23 CSC(C)C1=CC(=CC=C1)N Z801781922 [0,1,0,0,1,0|2,0,0]=4 832 B11R1.23 N#CC(N)C1=CC(=CC=C1)Cl Z398556966 [0,1,0,0,1,0|1,0,1]=4 833 B11R1.23 NC(CF)C1=CC(=CC=C1)Br Z3210128314 [0,1,0,0,1,0|1,0,0]=3 834 B11R1.23 NC(CF)C1=CC(=CC=C1)Cl Z3445798142 [0,1,0,0,1,0|1,0,0]=3 835 B11R1.23 NC(CF)C1=CC(=CC=C1)F Z3681214901 [0,1,0,0,1,0|1,0,0]=3 836 B11R1.23 NC(CO)C1=CC(=CC=C1)Br Z1438483917 [0,1,0,0,1,0|1,0,0]=3 837 B11R1.23 NC(CO)C1=CC(=CC=C1)Cl Z1695784092 [0,1,0,0,1,0|1,0,0]=3 838 B11R1.23 NC(CO)C1=CC(=CC=C1)F Z1268152384 [0,1,0,0,1,0|1,0,0]=3 839 B11R1.23 NC(CO)C1=CC(=CC=C1)I Z3605387233 [0,1,0,0,1,0|1,0,0]=3 840 B11R1.23 NC(CO)C1=CC(=CC=C1)O Z3247611804 [0,1,0,0,1,0|1,0,0]=3 841 B11R1.23 NC1=CC(=CC=C1)C(O)CO Z970072128 [0,1,0,0,1,0|2,0,0]=4 842 B11R1.23 NCC(O)C1=CC(=CC=C1)Cl Z330910384 [0,1,0,0,1,0|2,0,0]=4 843 B11R1.23 NCC(O)C1=CC(=CC=C1)O Z3041501762 [0,1,0,0,1,0|2,0,0]=4 844 B11R1.222 CC1=C(C=CC=C1)C(N)C#N Z4658101942 [0,1,0,0,1,0|1,0,1]=4 845 B11R1.222 CC1=C(C=CC=C1)C(N)CF Z3092528504 [0,1,0,0,1,0|1,0,0]=3 846 B11R1.222 CC1=C(C=CC=C1)C(N)CO Z385458414 [0,1,0,0,1,0|1,0,0]=3 847 B11R1.222 CC1=C(C=CC=C1)C(O)CN Z336086534 [0,1,0,0,1,0|2,0,0]=4 848 B11R1.222 CCC(=O)C1=C(C=CC=C1)Br Z851790216 [0,1,0,0,1,0|1,0,1]=4 849 B11R1.222 CCC(=O)C1=C(C=CC=C1)N Z1201617664 [0,1,0,0,1,0|1,0,1]=4 850 B11R1.222 CCC(N)C1=C(C=CC=C1)Br Z851790482 [0,1,0,0,1,0|0,0,0]=2 851 B11R1.222 CCC(N)C1=C(C=CC=C1)O Z1266854970 [0,1,0,0,1,0|0,0,0]=2 852 B11R1.222 CCN(C)C1=C(C=CC=C1)N Z409023630 [0,1,0,0,1,0|2,0,0]=4 853 B11R1.222 CCS(=O)C1=C(C=CC=C1)N Z808592520 [0,1,0,0,1,0|2,0,0]=4 854 B11R1.222 CNC(C)C1=C(C=CC=C1)Br Z1497158706 [0,1,0,0,1,0|2,0,0]=4 855 B11R1.222 CNC(C)C1=C(C=CC=C1)C Z159528196 [0,1,0,0,1,0|2,0,0]=4 856 B11R1.222 CNC(C)C1=C(C=CC=C1)Cl Z138106016 [0,1,0,0,1,0|2,0,0]=4 857 B11R1.222 CNC(C)C1=C(C=CC=C1)O Z316170358 [0,1,0,0,1,0|2,0,0]=4 858 B11R1.222 N#CC(N)C1=C(C=CC=C1)Br Z2526438961 [0,1,0,0,1,0|1,0,1]=4 859 B11R1.222 N#CC(N)C1=C(C=CC=C1)Cl Z993967186 [0,1,0,0,1,0|1,0,1]=4 860 B11R1.222 N#CC(N)C1=C(C=CC=C1)F Z1263602437 [0,1,0,0,1,0|1,0,1]=4 861 B11R1.222 NC(CF)C1=C(C=CC=C1)Br Z4444282330 [0,1,0,0,1,0|1,0,0]=3 862 B11R1.222 NC(CO)C1=C(C=CC=C1)F Z1268152413 [0,1,0,0,1,0|1,0,0]=3 863 B11R1.222 NC(CO)C1=C(C=CC=C1)I Z2941400807 [0,1,0,0,1,0|1,0,0]=3 864 B11R1.222 NCC(O)C1=C(C=CC=C1)Cl Z1255523275 [0,1,0,0,1,0|2,0,0]=4 865 B11R1.30 CC(CCN)CC1=CC=CS1 Z5431685558 [0,1,0,0,1,0|2,0,0]=4 866 B11R1.30 CCNC(C)CC1=CSC=C1 Z1737864891 [0,1,0,0,1,0|2,0,0]=4 867 B11R1.84 NCC(CO)CC1=CC=CO1 Z277959632 [0,1,0,0,1,0|2,0,0]=4 868 B11R1.84 NCC(CO)CC1=CSC=C1 Z239685146 [0,1,0,0,1,0|2,0,0]=4 869 B13R1.11 CCC(=O)CC(=O)C1=CC=CC=C1 Z359504792 [0,1,0,0,0,1|1,0,1]=4 870 B13R1.11 CCC(=O)NC(C)C1=CC=CC=C1 Z31450130 [0,1,0,0,0,1|1,0,1]=4 871 B13R1.14 CCC(=O)CCC1=CC=C(C=C1)Br Z406378158 [0,1,0,0,0,1|1,0,1]=4 872 B13R1.14 CCC(=O)CSC1=CC=C(C=C1)Cl Z916925670 [0,1,0,0,0,1|1,0,1]=4 873 B13R1.14 CNC(C)CCC1=CC=C(C=C1)O Z3215375352 [0,1,0,0,0,1|2,0,0]=4 874 B13R1.14 COC(C)CNC1=CC=C(C=C1)C Z1647435249 [0,1,0,0,0,1|2,0,0]=4 875 B13R1.14 NCC(O)COC1=CC=C(C=C1)F Z271072308 [0,1,0,0,0,1|2,0,0]=4 876 B13R1.14 NCC(O)COC1=CC=C(C=C1)I Z381428032 [0,1,0,0,0,1|2,0,0]=4 877 B13R1.14 OCC(O)COC1=CC=C(C=C1)Cl Z995094004 [0,1,0,0,0,1|2,0,0]=4 878 B13R1.15 C/N=C(\N)/NCC1=CC(=CC=C1)Br Z1090034392 [0,1,0,0,0,1|1,0,1]=4 879 B13R1.15 CC(CO)NCC1=CC(=CC=C1)Br Z425727416 [0,1,0,0,0,1|2,0,0]=4 880 B13R1.15 CC1=CC(=CC=C1)OCC(O)CN Z271072304 [0,1,0,0,0,1|2,0,0]=4 881 B13R1.15 NCC(O)COC1=CC(=CC=C1)F Z271072324 [0,1,0,0,0,1|2,0,0]=4 882 B13R1.15 OCC(O)CSC1=CC(=CC=C1)Br Z1346696335 [0,1,0,0,0,1|2,0,0]=4 883 B13R1.15 OCC(O)CSC1=CC(=CC=C1)Cl Z1346696059 [0,1,0,0,0,1|2,0,0]=4 884 B13R1.42 CC(CCO)NCC1=CC=CC=C1 Z1241678662 [0,1,0,0,0,1|1,0,0]=3 885 B13R1.42 CC(CCO)OCC1=CC=CC=C1 Z1806465434 [0,1,0,0,0,1|1,0,0]=3 886 B13R1.42 CCCC(=O)CCC1=CC=CC=C1 Z406377440 [0,1,0,0,0,1|1,0,1]=4 887 B13R1.42 CCCC(N)CCC1=CC=CC=C1 Z406453106 [0,1,0,0,0,1|0,0,0]=2 888 B13R1.42 CCNC(=O)NCC1=CC=CC=C1 Z44585735 [0,1,0,0,0,1|1,0,1]=4 889 B13R1.42 CCNC(=O)OCC1=CC=CC=C1 Z32025015 [0,1,0,0,0,1|1,0,1]=4 890 B13R1.42 CCOC(=O)NCC1=CC=CC=C1 Z31478129 [0,1,0,0,0,1|1,0,1]=4 891 B13R1.42 CNCC(=O)NCC1=CC=CC=C1 Z46191183 [0,1,0,0,0,1|1,0,1]=4 892 B13R1.42 COCC(=O)NCC1=CC=CC=C1 Z31478538 [0,1,0,0,0,1|1,0,1]=4 893 B13R1.42 CSCC(=O)NCC1=CC=CC=C1 Z27748784 [0,1,0,0,0,1|1,0,1]=4 894 B13R1.42 NCCC(=O)NCC1=CC=CC=C1 Z285214492 [0,1,0,0,0,1|1,0,1]=4 895 B13R1.42 NCCC(=O)OCC1=CC=CC=C1 Z1436181402 [0,1,0,0,0,1|1,0,1]=4 896 B13R1.42 NCCC(O)CCC1=CC=CC=C1 Z1255452410 [0,1,0,0,0,1|1,0,0]=3 897 B13R1.135 CCC(C)C(=O)NC1=CC=CC=C1 Z241886354 [0,1,0,0,0,1|1,0,1]=4 898 B13R1.135 CCC(Cl)C(=O)NC1=CC=CC=C1 Z169917700 [0,1,0,0,0,1|1,0,1]=4 899 B13R1.135 CCN(N)C(=S)NC1=CC=CC=C1 Z56822471 [0,1,0,0,0,1|1,0,1]=4 900 B13R1.254 CC(C)(CO)COC1=CC=CC=C1 Z1255499310 [0,1,0,0,0,1|2,0,0]=4 901 B13R1.254 CC(C)(CO)NCC1=CC=CC=C1 Z57328799 [0,1,0,0,0,1|2,0,0]=4 902 B13R1.254 CC(N)(C#N)CCC1=CC=CC=C1 Z415636554 [0,1,0,0,0,1|1,0,1]=4 903 B13R1.254 CC(N)(CO)COC1=CC=CC=C1 Z1250155590 [0,1,0,0,0,1|1,0,0]=3 904 B13R1.351 CC(=O)C(C)OCC1=CC=CC=C1 Z906195336 [0,1,0,0,0,1|1,0,1]=4 905 B13R1.351 CC(C)C(=O)CCC1=CC=CC=C1 Z406378608 [0,1,0,0,0,1|1,0,1]=4 906 B13R1.351 CC(C)C(O)CCC1=CC=CC=C1 Z513750674 [0,1,0,0,0,1|1,0,0]=3 907 B13R1.351 CC(C)C(O)CSC1=CC=CC=C1 Z1258791042 [0,1,0,0,0,1|1,0,0]=3 908 B13R1.351 CC(Cl)C(=O)CCC1=CC=CC=C1 Z1262508267 [0,1,0,0,0,1|1,0,1]=4 909 B13R1.351 CC(Cl)C(=O)NCC1=CC=CC=C1 Z56914802 [0,1,0,0,0,1|1,0,1]=4 910 B13R1.351 CC(N)C(=O)NCC1=CC=CC=C1 Z234893901 [0,1,0,0,0,1|1,0,1]=4 911 B13R1.351 CC(N)C(=O)OCC1=CC=CC=C1 Z2472775311 [0,1,0,0,0,1|1,0,1]=4 912 B13R1.351 CC(O)C(=O)NCC1=CC=CC=C1 Z798740028 [0,1,0,0,0,1|1,0,1]=4 913 B13R1.351 CC(O)C(C)OCC1=CC=CC=C1 Z854223056 [0,1,0,0,0,1|1,0,0]=3 914 B13R1.351 NC(CCC1=CC=CC=C1)C(=O)O Z317025074 [0,1,0,0,0,1|1,0,1]=4 915 B13R1.351 N[C@@H](CCC1=CC=CC=C1)C(=O)O Z1255434715 [0,1,0,0,0,1|1,0,1]=4 916 B13R1.351 N[C@H](CCC1=CC=CC=C1)C(=O)O Z1255399095 [0,1,0,0,0,1|1,0,1]=4 917 B13R1.417 C/N=C(\NC)/NCC1=CC=CC=C1 Z1089994842 [0,1,0,0,0,1|1,0,1]=4 918 B13R1.528 CC(CO)NCC1=C(C=CC=C1)Cl Z425448346 [0,1,0,0,0,1|2,0,0]=4 919 B13R1.528 CCC(=O)NCC1=C(C=CC=C1)C Z52337400 [0,1,0,0,0,1|1,0,1]=4 920 B13R1.528 CCC(=O)NCC1=C(C=CC=C1)F Z29857782 [0,1,0,0,0,1|1,0,1]=4 921 B13R1.528 CCC(N)COC1=C(C=CC=C1)F Z1268152369 [0,1,0,0,0,1|0,0,0]=2 922 B13R1.528 NCC(O)COC1=C(C=CC=C1)Br Z295439386 [0,1,0,0,0,1|2,0,0]=4 923 B13R1.19 CCCS(=O)CC1=CC=C(C=C1)Br Z2933960114 [0,2,0,0,0,0|2,0,0]=4 924 B13R1.19 CCNC(=O)CC1=CC=C(C=C1)F Z32024691 [0,2,0,0,0,0|1,0,1]=4 925 B13R1.19 CCNC(=O)CC1=CC=C(C=C1)N Z239124818 [0,2,0,0,0,0|1,0,1]=4 926 B13R1.19 CCOC(=O)CC1=CC=C(C=C1)F Z53835949 [0,2,0,0,0,0|1,0,1]=4 927 B13R1.19 O=S(CCO)CC1=CC=C(C=C1)I Z1614747420 [0,2,0,0,0,0|2,0,0]=4 928 B13R1.20 CCNC(=O)CC1=CC(=CC=C1)F Z32025095 [0,2,0,0,0,0|1,0,1]=4 929 B13R1.20 CCOC(=O)CC1=CC(=CC=C1)C Z979746960 [0,2,0,0,0,0|1,0,1]=4 930 B13R1.20 CCOC(=O)CC1=CC(=CC=C1)Cl Z982130886 [0,2,0,0,0,0|1,0,1]=4 931 B13R1.44 C#CCNC(C)CC1=CC=CC=C1 Z1633398357 [0,2,0,0,0,0|1,0,1]=4 932 B13R1.44 C=CCCC(=O)CC1=CC=CC=C1 Z1219747793 [0,2,0,0,0,0|1,0,1]=4 933 B13R1.44 CC(CC1=NC=CC=C1)NCCF Z2582971155 [0,2,0,0,0,0|2,0,0]=4 934 B13R1.44 CCCCC(O)CC1=NC=CC=C1 Z992975716 [0,2,0,0,0,0|2,0,0]=4 935 B13R1.44 CN(CCCN)CC1=CC=CC=C1 Z96092423 [0,2,0,0,0,0|2,0,0]=4 936 B13R1.44 CN(CCCO)CC1=CC=CC=C1 Z168889210 [0,2,0,0,0,0|2,0,0]=4 937 B13R1.44 NC(CCCO)CC1=CC=CC=C1 Z1198157366 [0,2,0,0,0,0|0,0,0]=2 938 B13R1.44 NCCNC(=O)CC1=CC=CC=C1 Z285226374 [0,2,0,0,0,0|1,0,1]=4 939 B13R1.47 CCCC(N)C(=O)C1=CC=CC=C1 Z1507357367 [0,2,0,0,0,0|0,0,1]=3 940 B13R1.47 CCOC(=O)C(N)C1=CC=CC=C1 Z2755013956 [0,2,0,0,0,0|1,0,1]=4 941 B13R1.47 CCOC(=O)[C@H](N)C1=CC=CC=C1 Z1274177321 [0,2,0,0,0,0|1,0,1]=4 942 B13R1.79 CCNC(CC)CC1=CC=CC=C1 Z513799512 [0,2,0,0,0,0|0,0,0]=2 943 B13R1.79 CNC(COC)CC1=CC=CC=C1 Z1836338813 [0,2,0,0,0,0|0,0,0]=2 944 B13R1.348 CC(=O)CC(=O)CC1=CC=CC=C1 Z1198148922 [0,2,0,0,0,0|1,0,1]=4 945 B13R1.348 CC(C)CC(N)CC1=CC=CC=C1 Z3214214500 [0,2,0,0,0,0|0,0,0]=2 946 B13R1.348 CN(C)CC(N)CC1=CC=CC=C1 Z335289212 [0,2,0,0,0,0|0,0,0]=2 947 B13R1.348 NC(CC(=O)O)CC1=CC=CC=C1 Z1318516262 [0,2,0,0,0,0|0,0,1]=3 948 B13R1.348 O=C(O)CC(O)CC1=CC=CC=C1 Z982132054 [0,2,0,0,0,0|1,0,1]=4 949 B13R1.470 CCNC(=O)CC1=C(C=CC=C1)F Z32024739 [0,2,0,0,0,0|1,0,1]=4 950 B13R1.470 CCOC(=O)CC1=C(C=CC=C1)F Z53836539 [0,2,0,0,0,0|1,0,1]=4 951 B13R1.470 CN(CCN)CC1=C(C=CC=C1)Cl Z415691250 [0,2,0,0,0,0|2,0,0]=4 952 B13R1.1327 CC(O)(CCN)CC1=CC=CC=C1 Z1269757759 [0,2,0,0,0,0|1,0,0]=3 953 B13R1.1327 NCCS(=O)(=O)CC1=CC=CC=C1 Z425449646 [0,2,0,0,0,0|2,0,0]=4 954 B13R1.21 CCC(C)C(N)C1=CC=C(C=C1)Cl Z291232760 [0,2,0,0,0,0|1,0,0]=3 955 B13R1.21 CNC(C)C(C)C1=CC=C(C=C1)Cl Z1262590480 [0,2,0,0,0,0|2,0,0]=4 956 B13R1.21 NC(CO)C(O)C1=CC=C(C=C1)Cl Z2670838766 [0,2,0,0,0,0|1,0,0]=3 957 B13R1.86 CCC(C#N)C(=O)C1=CC=CC=C1 Z445223930 [0,2,0,0,0,0|0,0,2]=4 958 B13R1.152 CC(C)C(=O)C(N)C1=CC=CC=C1 Z1509442373 [0,2,0,0,0,0|1,0,1]=4 959 B13R1.152 CC(C)C(N)C(=O)C1=CC=CC=C1 Z3303000834 [0,2,0,0,0,0|0,0,1]=3 960 B13R1.152 CC(C)C(O)C(N)C1=CC=CC=C1 Z385458472 [0,2,0,0,0,0|1,0,0]=3 961 B13R1.152 CC(C1=CC=CC=C1)C(N)C(=O)N Z2182115487 [0,2,0,0,0,0|1,0,1]=4 962 B13R1.152 CC(C1=CC=CC=C1)C(N)C(=O)O Z802846100 [0,2,0,0,0,0|1,0,1]=4 963 B13R1.152 CC(N)C(N)C(O)C1=CC=CC=C1 Z2724405896 [0,2,0,0,0,0|0,0,0]=2 964 B13R1.152 NC(C(=O)O)C(O)C1=CC=CC=C1 Z1649893051 [0,2,0,0,0,0|1,0,1]=4 965 B13R1.263 NCC(F)(F)C(O)C1=CC=CC=C1 Z5524788105 [0,2,0,0,0,0|2,0,0]=4 966 B13R1.696 CCC(N)C(O)C1=C(C=CC=C1)F Z1297758289 [0,2,0,0,0,0|0,0,0]=2 967 B13R1.708 CCC(=O)C(C)(C)C1=CC=CC=C1 Z1082244570 [0,2,0,0,0,0|1,0,1]=4 968 B13R1.708 CCC(N)C(C)(C)C1=CC=CC=C1 Z1082245218 [0,2,0,0,0,0|0,0,0]=2 969 B13R1.708 CCC(O)C(C)(C)C1=CC=CC=C1 Z1082244996 [0,2,0,0,0,0|1,0,0]=3 970 B13R1.708 NCC(O)C(F)(F)C1=CC=CC=C1 Z4443065812 [0,2,0,0,0,0|2,0,0]=4 971 B13R1.133 CC(C)C(=O)CC1=CC=C(C=C1)Br Z513733696 [0,2,0,0,0,0|1,0,1]=4 972 B13R1.133 CC(C)C(=O)CC1=CC=C(C=C1)Cl Z513734254 [0,2,0,0,0,0|1,0,1]=4 973 B13R1.133 CC(C)C(=O)CC1=CC=C(C=C1)F Z513734502 [0,2,0,0,0,0|1,0,1]=4 974 B13R1.133 CC(C)C(N)CC1=CC=C(C=C1)Cl Z513796444 [0,2,0,0,0,0|0,0,0]=2 975 B13R1.133 CC(C)C(N)CC1=CC=C(C=C1)F Z513796714 [0,2,0,0,0,0|0,0,0]=2 976 B13R1.133 CC(C)C(O)CC1=CC=C(C=C1)F Z513750262 [0,2,0,0,0,0|1,0,0]=3 977 B13R1.133 CC1=CC=C(C=C1)CC(=O)C(C)C Z513734840 [0,2,0,0,0,0|1,0,1]=4 978 B13R1.133 NC(=O)C(N)CC1=CC=C(C=C1)Cl Z2065464318 [0,2,0,0,0,0|1,0,1]=4 979 B13R1.133 NC(=O)[C@H](N)CC1=CC=C(C=C1)O Z3211890270 [0,2,0,0,0,0|1,0,1]=4 980 B13R1.133 NC(CC1=CC=C(C=C1)Cl)C(=O)O Z317024982 [0,2,0,0,0,0|1,0,1]=4 981 B13R1.133 NC(CC1=CC=C(C=C1)F)C(=O)O Z57969728 [0,2,0,0,0,0|1,0,1]=4 982 B13R1.133 NC(CC1=CC=C(C=C1)I)C(=O)O Z1263631851 [0,2,0,0,0,0|1,0,1]=4 983 B13R1.133 NC(CC1=CC=C(C=C1)O)C(=O)O Z57127380 [0,2,0,0,0,0|1,0,1]=4 984 B13R1.133 N[C@@H](CC1=CC=C(C=C1)F)C(=O)O Z995228058 [0,2,0,0,0,0|1,0,1]=4 985 B13R1.133 N[C@@H](CC1=CC=C(C=C1)I)C(=O)O Z1269142887 [0,2,0,0,0,0|1,0,1]=4 986 B13R1.133 N[C@@H](CC1=CC=C(C=C1)O)C(=O)O Z756440046 [0,2,0,0,0,0|1,0,1]=4 987 B13R1.133 N[C@H](CC1=CC=C(C=C1)Cl)C(=O)O Z995228428 [0,2,0,0,0,0|1,0,1]=4 988 B13R1.133 N[C@H](CC1=CC=C(C=C1)F)C(=O)O Z995228438 [0,2,0,0,0,0|1,0,1]=4 989 B13R1.133 N[C@H](CC1=CC=C(C=C1)I)C(=O)O Z1269112635 [0,2,0,0,0,0|1,0,1]=4 990 B13R1.133 N[C@H](CC1=CC=C(C=C1)O)C(=O)O Z969739284 [0,2,0,0,0,0|1,0,1]=4 991 B13R1.148 CC1=CC(=CC=C1)CC(N)C(=O)O Z2470414651 [0,2,0,0,0,0|1,0,1]=4 992 B13R1.148 NC(CC1=CC(=CC=C1)Br)C(=O)O Z1770192944 [0,2,0,0,0,0|1,0,1]=4 993 B13R1.148 NC(CC1=CC(=CC=C1)Cl)C(=O)O Z1374884687 [0,2,0,0,0,0|1,0,1]=4 994 B13R1.148 NC(CC1=CC(=CC=C1)O)C(=O)O Z317025828 [0,2,0,0,0,0|1,0,1]=4 995 B13R1.148 N[C@@H](CC1=CC(=CC=C1)O)C(=O)O Z995228186 [0,2,0,0,0,0|1,0,1]=4 996 B13R1.148 N[C@H](CC1=CC(=CC=C1)O)C(=O)O Z995228562 [0,2,0,0,0,0|1,0,1]=4 997 B13R1.202 CC(C)C(=O)CC1=C(C=CC=C1)Br Z513734836 [0,2,0,0,0,0|1,0,1]=4 998 B13R1.202 CC(C)C(O)CC1=C(C=CC=C1)Br Z513750644 [0,2,0,0,0,0|1,0,0]=3 999 B13R1.202 CC(N)C(C)OC1=C(C=CC=C1)F Z803066430 [0,2,0,0,0,0|2,0,0]=4 1000 B13R1.202 NC(=O)C(N)CC1=C(C=CC=C1)Cl Z1258519447 [0,2,0,0,0,0|1,0,1]=4 1001 B13R1.202 NC(CC1=C(C=CC=C1)Br)C(=O)O Z2217033050 [0,2,0,0,0,0|1,0,1]=4 1002 B13R1.202 NC(CC1=C(C=CC=C1)O)C(=O)O Z1065645436 [0,2,0,0,0,0|1,0,1]=4 1003 B13R1.353 CC(C)(C)C(=O)CC1=CC=CC=C1 Z513735850 [0,2,0,0,0,0|1,0,1]=4 1004 B13R1.353 CC(C)(C)C(N)CC1=CC=CC=C1 Z1268152326 [0,2,0,0,0,0|0,0,0]=2 1005 B13R1.353 CC(C)(C)C(O)CC1=CC=CC=C1 Z513751754 [0,2,0,0,0,0|1,0,0]=3 1006 B13R1.353 CC(CC1=CC=CC=C1)C(F)(F)F Z1416168820 [0,2,0,0,0,0|2,0,0]=4 1007 B13R1.418 CC(C)C(C#N)NC1=CC=CC=C1 Z235344711 [0,2,0,0,0,0|1,0,1]=4 1008 B13R1.418 CC(C)C(CN)CC1=CC=CC=C1 Z1809367550 [0,2,0,0,0,0|0,0,0]=2 1009 B13R1.418 CC(C)C(CN)NC1=CC=CC=C1 Z238918440 [0,2,0,0,0,0|1,0,0]=3 1010 B13R1.418 CCC(CC1=CC=CC=C1)C(=O)O Z513624620 [0,2,0,0,0,0|1,0,0]=3 1011 B13R1.418 CCC(NC1=CC=CC=C1)C(=O)N Z727617676 [0,2,0,0,0,0|1,0,0]=3 1012 B13R1.418 CCC(NC1=CC=CC=C1)C(=O)O Z274534828 [0,2,0,0,0,0|2,0,0]=4 1013 B13R1.418 CCC(OC1=CC=CC=C1)C(=O)O Z104484470 [0,2,0,0,0,0|2,0,0]=4 1014 B13R1.418 CCC(SC1=CC=CC=C1)C(=O)O Z149157470 [0,2,0,0,0,0|2,0,0]=4 1015 B13R1.418 CNC(CC1=CC=CC=C1)C(=O)O Z446011606 [0,2,0,0,0,0|1,0,1]=4 1016 B13R1.418 COC(CC1=CC=CC=C1)C(=O)N Z2233706113 [0,2,0,0,0,0|1,0,0]=3 1017 B13R1.418 COC(CC1=CC=CC=C1)C(=O)O Z1258977185 [0,2,0,0,0,0|2,0,0]=4 1018 B13R1.418 NCC(CC1=CC=CC=C1)C(=O)O Z1258578382 [0,2,0,0,0,0|1,0,1]=4 1019 B13R1.1073 CC(C)C(C)(N)CC1=CC=CC=C1 Z2690366626 [0,2,0,0,0,0|0,0,0]=2 1020 B13R1.1073 CC(C)S(=O)(=O)CC1=CC=CC=C1 Z2442616664 [0,2,0,0,0,0|2,0,0]=4 1021 B13R1.1073 CC(N)(CC1=CC=CC=C1)C(=O)O Z2680629352 [0,2,0,0,0,0|1,0,1]=4 1022 B13R1.1073 CC(N)(CC1=CC=CC=C1)C(F)F Z3013304115 [0,2,0,0,0,0|1,0,0]=3 1023 B13R1.5 CCC(C)OC1=CC=C(C=C1)C#N Z57900078 [0,2,0,0,0,0|2,0,0]=4 1024 B13R1.5 COC1=CC=C(C=C1)CC(C)CN Z992310982 [0,2,0,0,0,0|2,0,0]=4 1025 B13R1.145 CCC(CC1=CC=C(C=C1)C)NC Z513804920 [0,2,0,0,0,0|0,0,0]=2 1026 B13R1.145 N#CC(CO)CC1=CC=C(C=C1)F Z851820868 [0,2,0,0,0,0|1,0,1]=4 1027 B13R1.145 NCC(CO)CC1=CC=C(C=C1)Br Z1860991556 [0,2,0,0,0,0|1,0,0]=3 1028 B13R1.145 NCC(CO)CC1=CC=C(C=C1)Cl Z1324055647 [0,2,0,0,0,0|1,0,0]=3 1029 B13R1.145 NCC(CO)CC1=CC=C(C=C1)F Z285055048 [0,2,0,0,0,0|1,0,0]=3 1030 B13R1.249 CC(N)(CO)CC1=CC=C(C=C1)Br Z2732858926 [0,2,0,0,0,0|1,0,0]=3 1031 B13R1.249 CC(N)(CO)CC1=CC=C(C=C1)Cl Z2738738577 [0,2,0,0,0,0|1,0,0]=3 1032 B13R1.249 CC(N)(CO)CC1=CC=C(C=C1)F Z2732860433 [0,2,0,0,0,0|1,0,0]=3 1033 B13R1.249 CC1=CC=C(C=C1)CC(C)(N)CO Z5060721709 [0,2,0,0,0,0|1,0,0]=3 1034 B13R1.249 CCS(=O)(=O)CC1=CC=C(C=C1)I Z1587466067 [0,2,0,0,0,0|2,0,0]=4 1035 B13R1.249 CCS(=O)(=O)CC1=CC=C(C=C1)N Z424777372 [0,2,0,0,0,0|2,0,0]=4 1036 B13R1.2679 CC1=CC(=C(C=C1)CC(O)CN)C Z1255405058 [0,2,0,0,0,0|2,0,0]=4 1037 B13R1.2679 CCC(=O)CC1=C(C=C(C=C1)Cl)Cl Z513734962 [0,2,0,0,0,0|1,0,1]=4 1038 B13R1.2679 CCC(N)CC1=C(C=C(C=C1)Cl)Cl Z431980076 [0,2,0,0,0,0|0,0,0]=2 1039 B13R1.2679 NCC(O)CC1=C(C=C(C=C1)F)F Z1694636386 [0,2,0,0,0,0|2,0,0]=4 1040 B13R1.2879 CC1=C(C=C(C=C1)CC(N)CO)C Z2255081939 [0,2,0,0,0,0|1,0,0]=3 1041 B13R1.2879 CCC(C)SC1=CC(=C(C=C1)N)C Z419012516 [0,2,0,0,0,0|2,0,0]=4 1042 B13R1.40 CCN(C)CC1=C(C(=CC=C1)Cl)Cl Z140667762 [0,2,0,0,0,0|2,0,0]=4 1043 B13R1.81 CCN(C)CC1=CC(=CC=C1)CN Z406682576 [0,2,0,0,0,0|2,0,0]=4 1044 B13R1.146 CC1=CC(=CC=C1)CC(CN)CO Z285055118 [0,2,0,0,0,0|1,0,0]=3 1045 B13R1.146 CCC(CN)CC1=CC(=CC=C1)Br Z992310008 [0,2,0,0,0,0|0,0,0]=2 1046 B13R1.146 CCC(CN)OC1=CC(=CC=C1)C Z1696822317 [0,2,0,0,0,0|1,0,0]=3 1047 B13R1.146 CCC(CN)OC1=CC(=CC=C1)Cl Z1381260607 [0,2,0,0,0,0|1,0,0]=3 1048 B13R1.146 CCC(CN)OC1=CC(=CC=C1)F Z851005008 [0,2,0,0,0,0|1,0,0]=3 1049 B13R1.146 CCN(CC)CC1=CC(=CC=C1)Cl Z3765321327 [0,2,0,0,0,0|2,0,0]=4 1050 B13R1.146 CCN(CC)CC1=CC(=CC=C1)N Z285162772 [0,2,0,0,0,0|2,0,0]=4 1051 B13R1.146 COC(CC1=CC(=CC=C1)Cl)OC Z1171220883 [0,2,0,0,0,0|2,0,0]=4 1052 B13R1.146 N#CC(CO)CC1=CC(=CC=C1)Br Z1098915256 [0,2,0,0,0,0|1,0,1]=4 1053 B13R1.146 NCC(CO)CC1=CC(=CC=C1)F Z285055090 [0,2,0,0,0,0|1,0,0]=3 1054 B13R1.250 CC(C)(CN)CC1=CC(=CC=C1)Br Z2235409208 [0,2,0,0,0,0|2,0,0]=4 1055 B13R1.250 CC(C)(CN)CC1=CC(=CC=C1)Cl Z995183126 [0,2,0,0,0,0|2,0,0]=4 1056 B13R1.335 CC1=C(C=CC=C1)CC(CN)CO Z285055100 [0,2,0,0,0,0|1,0,0]=3 1057 B13R1.335 CCC(CN)OC1=C(C=CC=C1)C Z1696814399 [0,2,0,0,0,0|1,0,0]=3 1058 B13R1.335 CCC(CN)OC1=C(C=CC=C1)Cl Z851005680 [0,2,0,0,0,0|1,0,0]=3 1059 B13R1.335 CCC(CN)OC1=C(C=CC=C1)F Z851004926 [0,2,0,0,0,0|1,0,0]=3 1060 B13R1.335 CCN(CC)CC1=C(C=CC=C1)N Z285162774 [0,2,0,0,0,0|2,0,0]=4 1061 B13R1.335 COC(CC1=C(C=CC=C1)F)OC Z1147245842 [0,2,0,0,0,0|2,0,0]=4 1062 B13R1.335 N#CC(CO)CC1=C(C=CC=C1)Br Z1098915236 [0,2,0,0,0,0|1,0,1]=4 1063 B13R1.335 NCC(CO)CC1=C(C=CC=C1)Br Z1860991590 [0,2,0,0,0,0|1,0,0]=3 1064 B13R1.335 NCC(CO)CC1=C(C=CC=C1)Cl Z1098916495 [0,2,0,0,0,0|1,0,0]=3 1065 B13R1.335 NCC(CO)CC1=C(C=CC=C1)F Z285055188 [0,2,0,0,0,0|1,0,0]=3 1066 B13R1.3080 CC(CN)(CO)CC1=CC=CC=C1 Z1198237093 [0,2,0,0,0,0|1,0,0]=3 1067 B13R1.275 CC(N)(CO)CC1=C(C=CC=C1)Br Z4498797630 [0,2,0,0,0,0|1,0,0]=3 1068 B13R1.275 CC(N)(CO)CC1=C(C=CC=C1)F Z2725040168 [0,2,0,0,0,0|1,0,0]=3 1069 B13R1.275 CC[N+](C)(C)CC1=C(C=CC=C1)Br Z2050011174 [0,2,0,0,0,0|2,0,0]=4 1070 B13R1.91 CNC(C)CC1=C(C=CC=C1)OC Z1691545280 [0,2,0,0,0,0|2,0,0]=4 1071 B11R2.1 CC1CNC2=C1C=CC=C2 Z415739264 [1,0,0,1,0,0|1,0,0]=3 1072 B11R2.1 CC1CNC2=C1C=CN=C2 Z3400245703 [1,0,0,1,0,0|2,0,0]=4 1073 B11R2.1 CC1CNC2=C1N=CC=C2 Z3464420345 [1,0,0,1,0,0|2,0,0]=4 1074 B11R2.1 CC1NCC2=C1C=CC=C2 Z1203731964 [1,0,0,1,0,0|1,0,0]=3 1075 B11R2.1 NC1CCC2=C1C=CC=C2 Z168884748 [1,0,0,1,0,0|1,0,0]=3 1076 B11R2.1 NC1CSC2=C1C=CC=C2 Z431544668 [1,0,0,1,0,0|2,0,0]=4 1077 B11R2.1 N[C@@H]1CCC2=C1C=CC=C2 Z1741972748 [1,0,0,1,0,0|1,0,0]=3 1078 B11R2.1 O=C1CCC2=C1C=CC=C2 Z104495974 [1,0,0,1,0,0|1,0,1]=4 1079 B11R2.1 OC1COC2=C1C=CC=C2 Z1267884639 [1,0,0,1,0,0|2,0,0]=4 1080 B11R2.1 O[C@@H]1CSC2=C1C=CC=C2 Z1438326029 [1,0,0,1,0,0|2,0,0]=4 1081 B11R2.4 N[C@@H]1C[C@@H]1C2=CC=CC=C2 Z2309888982 [1,0,0,1,0,0|1,0,0]=3 1082 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 Z2296167800 [1,0,0,1,0,0|1,0,0]=3 1083 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 Z2517097696 [1,0,0,1,0,0|1,0,0]=3 1084 B11R2.20 C1=CC2=C(C=C1)CCC=C2 Z237493310 [1,0,0,1,0,0|0,0,2]=4 1085 B11R2.20 C1=CC2=C(C=C1)CNCC2 Z57834231 [1,0,0,1,0,0|1,0,0]=3 1086 B11R2.20 C1=CC2=C(C=C1)COCC2 Z756090080 [1,0,0,1,0,0|1,0,0]=3 1087 B11R2.20 C1=CC2=C(C=C1)CONC2 Z2096086829 [1,0,0,1,0,0|2,0,0]=4 1088 B11R2.20 C1=CC2=C(C=C1)OCCC2 Z728136016 [1,0,0,1,0,0|1,0,0]=3 1089 B11R2.20 C1=CC2=C(C=C1)OCCN2 Z228584850 [1,0,0,1,0,0|2,0,0]=4 1090 B11R2.20 C1=CC2=C(C=C1)SCCN2 Z56943460 [1,0,0,1,0,0|2,0,0]=4 1091 B11R2.20 C1=CC2=C(C=N1)CCCC2 Z104492180 [1,0,0,1,0,0|1,0,0]=3 1092 B11R2.20 C1=CC2=C(C=N1)CCNC2 Z3243651255 [1,0,0,1,0,0|2,0,0]=4 1093 B11R2.20 C1=CC2=C(C=N1)CNCC2 Z3058791291 [1,0,0,1,0,0|2,0,0]=4 1094 B11R2.20 C1=CC2=C(C=N1)COCC2 Z4394915129 [1,0,0,1,0,0|2,0,0]=4 1095 B11R2.20 C1=CC2=C(C=N1)NCCC2 Z3243651200 [1,0,0,1,0,0|2,0,0]=4 1096 B11R2.20 C1=CC2=C(CCCC2)N=C1 Z1201617100 [1,0,0,1,0,0|1,0,0]=3 1097 B11R2.20 C1=CC2=C(CCCN2)N=C1 Z212053854 [1,0,0,1,0,0|2,0,0]=4 1098 B11R2.20 C1=CC2=C(CCNC2)N=C1 Z2142036515 [1,0,0,1,0,0|2,0,0]=4 1099 B11R2.20 C1=CC2=C(CCSC2)N=C1 Z3492694447 [1,0,0,1,0,0|2,0,0]=4 1100 B11R2.20 C1=CC2=C(N=C1)NCCC2 Z1198176448 [1,0,0,1,0,0|2,0,0]=4 1101 B11R2.238 C1=CC(=CN=C1)NC2CC2 Z1203747527 [1,0,0,1,0,0|2,0,0]=4 1102 B11R2.238 C1=CC=C(C=C1)CC2CO2 Z1020680006 [1,0,0,1,0,0|1,0,0]=3 1103 B11R2.238 C1=CC=C(C=C1)C[C@@H]2CO2 Z1617991494 [1,0,0,1,0,0|1,0,0]=3 1104 B11R2.238 C1=CC=C(C=C1)C[C@H]2CO2 Z2216712384 [1,0,0,1,0,0|1,0,0]=3 1105 B11R2.238 C1=CC=C(C=C1)NC2CC2 Z1203731288 [1,0,0,1,0,0|1,0,0]=3 1106 B11R2.239 C1=CC=C(C=C1)C2CCN2 Z359510120 [1,0,0,1,0,0|1,0,0]=3 1107 B11R2.988 NCC1CC2=C1C=CC=C2 Z234895091 [1,0,0,1,0,0|1,0,0]=3 1108 B11R2.10 CC1=NC2=C(N1)C=CC=C2 Z55692894 [1,0,0,1,0,0|1,0,1]=4 1109 B11R2.10 CC1CC2=C(N1)C=CC=C2 Z104472410 [1,0,0,1,0,0|0,0,0]=2 1110 B11R2.10 CC1CC2=C(N1)C=CN=C2 Z1203822742 [1,0,0,1,0,0|1,0,0]=3 1111 B11R2.10 CC1CC2=C(O1)C=CC=C2 Z104378304 [1,0,0,1,0,0|1,0,0]=3 1112 B11R2.10 NC1=NC2=C(C1)C=CC=C2 Z2692198892 [1,0,0,1,0,0|1,0,1]=4 1113 B11R2.10 NC1CC2=C(C1)C=CC=C2 Z1741971562 [1,0,0,1,0,0|0,0,0]=2 1114 B11R2.10 NC1CC2=C(C1)C=NC=C2 Z2238944796 [1,0,0,1,0,0|1,0,0]=3 1115 B11R2.10 NC1CC2=C(C1)N=CC=C2 Z3069017080 [1,0,0,1,0,0|1,0,0]=3 1116 B11R2.10 NC1CC2=C(C1)N=CC=N2 Z4953585301 [1,0,0,1,0,0|2,0,0]=4 1117 B11R2.10 O=C1CC2=C(C1)C=CC=C2 Z104486120 [1,0,0,1,0,0|1,0,1]=4 1118 B11R2.10 O=C1CC2=C(N1)C=CC=C2 Z104478112 [1,0,0,1,0,0|1,0,1]=4 1119 B11R2.40 CC1(CO1)C2=CC=CC=C2 Z813010616 [0,0,0,1,1,0|2,0,0]=4 1120 B11R2.40 NC1(CC1)C2=CC=CC=C2 Z1262398449 [0,0,0,1,1,0|0,0,0]=2 1121 B11R2.40 NC1(CC1)C2=CC=NC=C2 Z3244521572 [0,0,0,1,1,0|1,0,0]=3 1122 B11R2.40 NC1(CC1)C2=CN=CC=C2 Z3241265434 [0,0,0,1,1,0|1,0,0]=3 1123 B11R2.40 NC1(CC1)C2=NC=CC=C2 Z995042286 [0,0,0,1,1,0|1,0,0]=3 1124 B11R2.40 NC1(CC1)C2=NC=CC=N2 Z3243412657 [0,0,0,1,1,0|2,0,0]=4 1125 B11R2.36 NC1CCC2=C(C1)C=NN2 Z415727968 [0,0,0,1,1,0|2,0,0]=4 1126 B11R2.36 NC1CCC2=C(C1)N=CN2 Z1473962907 [0,0,0,1,1,0|2,0,0]=4 1127 B11R2.36 NC1CCC2=C(C1)SC=N2 Z2310679110 [0,0,0,1,1,0|2,0,0]=4 1128 B11R2.36 NC1CCC2=CN=CN2C1 Z2417833770 [0,0,0,1,1,0|2,0,0]=4 1129 B11R2.36 NC1CCC2=NC=CN2C1 Z406361508 [0,0,0,1,1,0|2,0,0]=4 1130 B11R2.36 NC1CCN2C=CN=C2C1 Z3235143758 [0,0,0,1,1,0|2,0,0]=4 1131 B11R2.36 NC1CCN2N=CC=C2C1 Z2471604126 [0,0,0,1,1,0|2,0,0]=4 1132 B11R2.36 N[C@H]1CCC2=C(C1)SC=N2 Z2327402646 [0,0,0,1,1,0|2,0,0]=4 1133 B13R2.10 CC1CC(CN1)C2=CC=CC=C2 Z1203620755 [0,0,0,1,0,1|2,0,0]=4 1134 B13R2.10 FC1CNC(C1)C2=CC=CC=C2 Z2732815726 [0,0,0,1,0,1|2,0,0]=4 1135 B13R2.10 NC1=NC(CO1)C2=CC=CC=C2 Z1262629910 [0,0,0,1,0,1|1,0,1]=4 1136 B13R2.10 NC1=NCC(N1)C2=CC=CC=C2 Z4461628926 [0,0,0,1,0,1|1,0,1]=4 1137 B13R2.10 NC1=NN(CC1)C2=CC=CC=C2 Z57473788 [0,0,0,1,0,1|1,0,1]=4 1138 B13R2.10 NC1CCC(C1)C2=CC=CC=C2 Z1947438117 [0,0,0,1,0,1|0,0,0]=2 1139 B13R2.10 NC1CCN(C1)C2=CC=CC=C2 Z415647888 [0,0,0,1,0,1|0,0,0]=2 1140 B13R2.10 NC1CCN(C1)C2=NC=CC=C2 Z934137772 [0,0,0,1,0,1|1,0,0]=3 1141 B13R2.10 NC1CCN(C1)C2=NC=CC=N2 Z3244717811 [0,0,0,1,0,1|2,0,0]=4 1142 B13R2.10 NC1CCN(C1)C2=NC=CN=C2 Z3244717823 [0,0,0,1,0,1|2,0,0]=4 1143 B13R2.10 NC1CCN(C1)C2=NN=CC=C2 Z3244717822 [0,0,0,1,0,1|2,0,0]=4 1144 B13R2.10 NC1COC(C1)C2=CC=CC=C2 Z4657508784 [0,0,0,1,0,1|1,0,0]=3 1145 B13R2.10 O=C1CCN(C1)C2=CC=CC=C2 Z234894137 [0,0,0,1,0,1|1,0,1]=4 1146 B13R2.10 OC1CCN(C1)C2=CC=CC=C2 Z1198184574 [0,0,0,1,0,1|1,0,0]=3 1147 B13R2.10 OC1CNC(C1)C2=CC=CC=C2 Z2298064173 [0,0,0,1,0,1|2,0,0]=4 1148 B13R2.32 CC1CCC2=C(C1N)C=CC=C2 Z1539988085 [0,0,0,1,0,1|2,0,0]=4 1149 B13R2.32 CC1COC2=C(C1O)C=CC=C2 Z1255453699 [0,0,0,1,0,1|2,0,0]=4 1150 B13R2.32 NC1C2=C(C=CC=C2)CCC1F Z2791719028 [0,0,0,1,0,1|2,0,0]=4 1151 B13R2.32 NC1C2=C(C=CC=C2)OCC1F Z2830459792 [0,0,0,1,0,1|2,0,0]=4 1152 B13R2.32 NC1CCC2=C(C1=O)C=CC=C2 Z1815149197 [0,0,0,1,0,1|1,0,1]=4 1153 B13R2.32 NC1COC2=C(C1=O)C=CC=C2 Z1526503390 [0,0,0,1,0,1|1,0,1]=4 1154 B13R2.32 NC1COC2=C(C1O)C=CC=C2 Z2146515656 [0,0,0,1,0,1|1,0,0]=3 1155 B13R2.32 NC1CSC2=C(C1=O)C=CC=C2 Z3243691901 [0,0,0,1,0,1|1,0,1]=4 1156 B13R2.32 N[C@@H]1COC2=C([C@H]1O)C=CC=C2 Z4354027077 [0,0,0,1,0,1|1,0,0]=3 1157 B13R2.32 N[C@H]1C2=C(C=CC=C2)CC[C@@H]1O Z3070471251 [0,0,0,1,0,1|2,0,0]=4 1158 B13R2.32 N[C@H]1C2=C(C=CC=C2)CC[C@H]1O Z2901813806 [0,0,0,1,0,1|2,0,0]=4 1159 B13R2.32 N[C@H]1C2=C(C=CC=C2)OC[C@H]1O Z3212210130 [0,0,0,1,0,1|2,0,0]=4 1160 B13R2.33 CC1CCC2=C(C=CC=C2)NC1 Z5621098910 [0,0,0,1,0,1|1,0,0]=3 1161 B13R2.33 CC1CNC2=C(C=CC=C2)NC1 Z558512608 [0,0,0,1,0,1|2,0,0]=4 1162 B13R2.33 CC1CNC2=C(C=CC=C2)SC1 Z1521305259 [0,0,0,1,0,1|2,0,0]=4 1163 B13R2.33 CC1CSC2=C(C=CC=C2)CN1 Z1262585551 [0,0,0,1,0,1|2,0,0]=4 1164 B13R2.33 O=C1CCC2=C(C=CC=C2)CC1 Z2235810278 [0,0,0,1,0,1|1,0,1]=4 1165 B13R2.33 O=C1CCC2=C(C=CC=C2)CN1 Z1198153747 [0,0,0,1,0,1|1,0,1]=4 1166 B13R2.50 NC[C@@H]1C[C@H]1CC2=CC=CC=C2 Z3013803470 [0,0,0,1,0,1|2,0,0]=4 1167 B13R2.52 CNC1CC(C1)C2=CC=CC=C2 Z444333842 [0,0,0,1,0,1|2,0,0]=4 1168 B13R2.57 CCC1CC2=C(C=CC=C2)CN1 Z979717460 [0,0,0,1,0,1|1,0,0]=3 1169 B13R2.57 CCC1CCC2=C(N1)C=CC=C2 Z1198725492 [0,0,0,1,0,1|0,0,0]=2 1170 B13R2.57 CCC1CNC2=C(N1)N=CC=C2 Z1389341080 [0,0,0,1,0,1|1,0,0]=3 1171 B13R2.57 CCC1CNC2=C(O1)C=CC=C2 Z1198339744 [0,0,0,1,0,1|1,0,0]=3 1172 B13R2.57 CCN1CCC2=C(C1)C=CC=C2 Z3070447746 [0,0,0,1,0,1|2,0,0]=4 1173 B13R2.57 CNC1CCC2=C(C1)C=CC=C2 Z102767748 [0,0,0,1,0,1|2,0,0]=4 1174 B13R2.57 COC1CNC2=C(C1)C=CC=C2 Z4788665193 [0,0,0,1,0,1|2,0,0]=4 1175 B13R2.57 ClCC1COC2=C(O1)C=CC=C2 Z56950531 [0,0,0,1,0,1|2,0,0]=4 1176 B13R2.57 NCC1CC2=C(C=CC=C2)CN1 Z2752198127 [0,0,0,1,0,1|2,0,0]=4 1177 B13R2.57 NCC1CCC2=C(N1)C=CC=C2 Z1263714153 [0,0,0,1,0,1|1,0,0]=3 1178 B13R2.57 NCC1COC2=C(C1)C=CC=C2 Z96093367 [0,0,0,1,0,1|2,0,0]=4 1179 B13R2.57 NCC1COC2=C(O1)C=CC=C2 Z316170312 [0,0,0,1,0,1|2,0,0]=4 1180 B13R2.57 NCC1CSC2=C(O1)C=CC=C2 Z2379088782 [0,0,0,1,0,1|2,0,0]=4 1181 B13R2.57 OCC1CNC2=C(C1)C=CC=C2 Z359510194 [0,0,0,1,0,1|2,0,0]=4 1182 B13R2.57 OCC1COC2=C(O1)C=CC=C2 Z56943727 [0,0,0,1,0,1|2,0,0]=4 1183 B13R2.57 OCC1CSC2=C(O1)C=CC=C2 Z916847050 [0,0,0,1,0,1|2,0,0]=4 1184 B13R2.57 OC[C@H]1CC2=C(C=CC=C2)CN1 Z1198160868 [0,0,0,1,0,1|2,0,0]=4 1185 B13R2.98 C[C@]1(C[C@H]1C2=CC=CC=C2)CN Z2216303059 [0,0,0,1,0,1|2,0,0]=4 1186 B13R2.98 C[C@]1(C[C@H]1C2=CC=CC=C2)CO Z2467454648 [0,0,0,1,0,1|2,0,0]=4 1187 B13R2.373 CC1C(=O)CC1C2=CC=CC=C2 Z1436543792 [0,0,0,1,0,1|1,0,1]=4 1188 B13R2.373 CC1C(=O)NC1C2=CC=CC=C2 Z1267861070 [0,0,0,1,0,1|1,0,1]=4 1189 B13R2.373 CC1C(CC1C2=CC=CC=C2)N Z1430540182 [0,0,0,1,0,1|0,0,0]=2 1190 B13R2.373 NC1CN(C1=O)C2=CC=CC=C2 Z1891776032 [0,0,0,1,0,1|1,0,1]=4 1191 B13R2.2383 C1=CC=C(C=C1)CCC2CNC2 Z2831439423 [0,0,0,1,0,1|2,0,0]=4 1192 B13R2.2383 C1=CC=C(C=C1)CNC2CCC2 Z3013892395 [0,0,0,1,0,1|1,0,0]=3 1193 B13R2.2383 C1=CC=C(C=C1)NCC2CCC2 Z685843986 [0,0,0,1,0,1|1,0,0]=3 1194 B13R2.2531 CC1(COC2=C1C=CC=C2)CN Z5185116445 [0,0,0,1,0,1|2,0,0]=4 1195 B13R2.2531 NC1(CCC2=C1C=CC=C2)CO Z734150984 [0,0,0,1,0,1|1,0,0]=3 1196 B13R2.2531 NCC1(CCC2=C1C=CC=C2)O Z419084888 [0,0,0,1,0,1|2,0,0]=4 1197 B13R2.15 CC1NCCC1C2=CC=CC=C2 Z979418782 [0,1,0,1,0,0|1,0,0]=3 1198 B13R2.15 F[C@@H]1CNC[C@@H]1C2=CC=CC=C2 Z3222118152 [0,1,0,1,0,0|1,0,0]=3 1199 B13R2.15 N=C1NCCC1C2=CC=CC=C2 Z5485653209 [0,1,0,1,0,0|0,0,2]=4 1200 B13R2.15 NC1=NCCN1C2=CC=CC=C2 Z56767233 [0,1,0,1,0,0|1,0,1]=4 1201 B13R2.15 NC1CCCC1C2=CC=CC=C2 Z993058900 [0,1,0,1,0,0|0,0,0]=2 1202 B13R2.15 N[C@@H]1CCO[C@H]1C2=CC=CC=C2 Z2690083974 [0,1,0,1,0,0|0,0,0]=2 1203 B13R2.15 N[C@@H]1CCO[C@H]1C2=CN=CC=C2 Z2327884249 [0,1,0,1,0,0|1,0,0]=3 1204 B13R2.15 O=C1CCCC1C2=CC=CC=C2 Z993018320 [0,1,0,1,0,0|1,0,1]=4 1205 B13R2.15 O=C1NCCC1C2=CC=CC=C2 Z1198157720 [0,1,0,1,0,0|1,0,1]=4 1206 B13R2.15 O=C1OCCC1C2=CC=CC=C2 Z1198158252 [0,1,0,1,0,0|1,0,1]=4 1207 B13R2.15 OC1CCCC1C2=CN=CC=C2 Z992949374 [0,1,0,1,0,0|2,0,0]=4 1208 B13R2.15 O[C@@H]1CCC[C@H]1C2=CC=CC=C2 Z2306832376 [0,1,0,1,0,0|1,0,0]=3 1209 B13R2.15 O[C@@H]1CCN[C@@H]1C2=CC=CC=C2 Z4203073787 [0,1,0,1,0,0|1,0,0]=3 1210 B13R2.25 O=CC[C@@H]1C[C@H]1C2=CC=CC=C2 Z2582231304 [0,1,0,1,0,0|1,0,1]=4 1211 B13R2.26 CCCC1=NC2=C(N1)C=CC=C2 Z55692902 [0,1,0,1,0,0|1,0,1]=4 1212 B13R2.26 CCSC1=NC2=C(N1)C=CC=C2 Z53833332 [0,1,0,1,0,0|1,0,1]=4 1213 B13R2.26 CNCC1=CC2=C(N1)C=CC=C2 Z951182360 [0,1,0,1,0,0|0,0,2]=4 1214 B13R2.26 CNCC1=NC2=C(N1)C=CC=C2 Z235362791 [0,1,0,1,0,0|1,0,1]=4 1215 B13R2.26 NCCC1=CC2=C(N1)C=CC=C2 Z1198165410 [0,1,0,1,0,0|0,0,2]=4 1216 B13R2.26 NCCC1=NC2=C(N1)C=CC=C2 Z90666847 [0,1,0,1,0,0|1,0,1]=4 1217 B13R2.26 NCCC1CC2=C(C1)C=CC=C2 Z851015128 [0,1,0,1,0,0|1,0,0]=3 1218 B13R2.26 NCCN1CC2=C(C1)C=CC=C2 Z823287506 [0,1,0,1,0,0|2,0,0]=4 1219 B13R2.26 OCCC1=CC2=C(N1)C=CC=C2 Z1198729419 [0,1,0,1,0,0|0,0,2]=4 1220 B13R2.26 OCCC1=NC2=C(N1)C=CC=C2 Z566213566 [0,1,0,1,0,0|1,0,1]=4 1221 B13R2.26 OCCN1CC2=C(C1)C=CC=C2 Z1267773680 [0,1,0,1,0,0|2,0,0]=4 1222 B13R2.31 NC1CC(C1)NC2=CC=CC=C2 Z2753743538 [0,1,0,1,0,0|2,0,0]=4 1223 B13R2.31 N[C@H]1C[C@@H](C1)CC2=CC=CC=C2 Z5336692620 [0,1,0,1,0,0|1,0,0]=3 1224 B13R2.31 O=C1CC(N1)CC2=CC=CC=C2 Z1198168168 [0,1,0,1,0,0|0,0,1]=3 1225 B13R2.31 OC1CC(C1)CC2=CC=CC=C2 Z1551917814 [0,1,0,1,0,0|1,0,0]=3 1226 B13R2.31 O[C@H]1C[C@H](C1)SC2=CC=CC=C2 Z2690875271 [0,1,0,1,0,0|2,0,0]=4 1227 B13R2.64 C1=CC(=CC=N1)CC2CCCN2 Z3251716672 [0,1,0,1,0,0|1,0,0]=3 1228 B13R2.64 C1=CC(=CC=N1)OC2CCNC2 Z976691364 [0,1,0,1,0,0|2,0,0]=4 1229 B13R2.64 C1=CC(=CN=C1)OC2CCNC2 Z1095384991 [0,1,0,1,0,0|2,0,0]=4 1230 B13R2.64 C1=CC=C(C=C1)CC2=NCCN2 Z1255415487 [0,1,0,1,0,0|0,0,1]=3 1231 B13R2.64 C1=CC=C(C=C1)CC2CCCN2 Z237735126 [0,1,0,1,0,0|0,0,0]=2 1232 B13R2.64 C1=CC=C(C=C1)CC2CCNC2 Z979422194 [0,1,0,1,0,0|0,0,0]=2 1233 B13R2.64 C1=CC=C(C=C1)CN2CCCC2 Z54750390 [0,1,0,1,0,0|2,0,0]=4 1234 B13R2.64 C1=CC=C(C=C1)NC2CCCC2 Z334877896 [0,1,0,1,0,0|2,0,0]=4 1235 B13R2.64 C1=CC=C(C=C1)NC2CCNC2 Z970090328 [0,1,0,1,0,0|1,0,0]=3 1236 B13R2.64 C1=CC=C(C=C1)OC2CCNC2 Z975916118 [0,1,0,1,0,0|1,0,0]=3 1237 B13R2.64 C1=CN=C(C=C1)OC2CCNC2 Z976691504 [0,1,0,1,0,0|2,0,0]=4 1238 B13R2.135 CCN1C(=NC2=C1C=CC=C2)N Z56921771 [0,1,0,1,0,0|1,0,1]=4 1239 B13R2.135 CN[C@H]1C2=C(C=CC=C2)C[C@@H]1O Z4716420151 [0,1,0,1,0,0|1,0,0]=3 1240 B13R2.163 CC1CCNC2=C(N1)C=CC=C2 Z1258763758 [0,1,0,1,0,0|2,0,0]=4 1241 B13R2.163 CC1CCNC2=C(S1)C=CC=C2 Z56347587 [0,1,0,1,0,0|2,0,0]=4 1242 B13R2.163 CC1CNCC2=C(O1)C=CC=C2 Z2197092164 [0,1,0,1,0,0|2,0,0]=4 1243 B13R2.163 CN1CCNC2=C(C1)C=CC=C2 Z1098230405 [0,1,0,1,0,0|2,0,0]=4 1244 B13R2.163 O=C1CCCC2=C(C1)C=CC=C2 Z1255446913 [0,1,0,1,0,0|1,0,1]=4 1245 B13R2.197 C[C@@H]1C[C@@]1(N)CC2=CC=CC=C2 Z3487486148 [0,1,0,1,0,0|0,0,0]=2 1246 B13R2.221 NC1(CCC1)CC2=CC=CC=C2 Z1428160831 [0,1,0,1,0,0|0,0,0]=2 1247 B13R2.328 CN1CC(CC2=C1C=CC=C2)N Z2310670953 [0,1,0,1,0,0|0,0,0]=2 1248 B13R2.444 NC(CC1=CC=CC=C1)C2CC2 Z1695784318 [0,1,0,1,0,0|0,0,0]=2 1249 B13R2.444 O=C(CC1=CC=CC=C1)C2CC2 Z513735694 [0,1,0,1,0,0|1,0,1]=4 1250 B13R2.45 CCC1=NC2=C(N1N)C=CC=C2 Z164680282 [0,1,0,1,0,0|1,0,1]=4 1251 B13R2.45 CN[C@@H]1CC2=C([C@@H]1O)C=CC=C2 Z4657916171 [0,1,0,1,0,0|1,0,0]=3 1252 B13R2.45 CO[C@@H]1CC2=C([C@H]1N)C=CC=C2 Z4661669768 [0,1,0,1,0,0|1,0,0]=3 1253 B13R2.45 C[C@H]1C2=C(C=CC=C2)O[C@H]1CN Z2755724050 [0,1,0,1,0,0|1,0,0]=3 1254 B13R2.56 NCC1CCC1C2=CC=CC=C2 Z4003034803 [0,1,0,1,0,0|0,0,0]=2 1255 B13R2.56 O=CC1CCC1C2=CC=CC=C2 Z1509045454 [0,1,0,1,0,0|1,0,0]=3 1256 B13R2.56 OC[C@@H]1NC[C@H]1C2=CC=CC=C2 Z3691037314 [0,1,0,1,0,0|1,0,0]=3 1257 B13R2.382 CC1CC1C(N)C2=CC=CC=C2 Z1695797918 [0,1,0,1,0,0|1,0,0]=3 1258 B13R2.413 CC1(CCC1N)C2=CC=CC=C2 Z1813195198 [0,1,0,1,0,0|0,0,0]=2 1259 B13R2.8137 NC(C1=CC=CC=C1)C2CCC2 Z3244520377 [0,1,0,1,0,0|1,0,0]=3 1260 B13R2.8137 NC(C1=CC=NC=C1)C2CCC2 Z2758289257 [0,1,0,1,0,0|2,0,0]=4 1261 B13R2.8138 CC(C1=CC=CC=C1)C2(CC2)N Z3576390632 [0,1,0,1,0,0|0,0,0]=2 1262 B13R2.359 CC1(C2=C(C=CC=C2)CC1N)C Z5181794095 [0,1,0,1,0,0|0,0,0]=2 1263 B13R2.359 CC1NC2=C(C1(C)C)C=CC=C2 Z1262562152 [0,1,0,1,0,0|2,0,0]=4 1264 B13R2.369 CC1NC2=C(C=CC=C2)SC1C Z1345173180 [0,1,0,1,0,0|2,0,0]=4 1265 B13R2.369 NC1CC2=C(C=CC=C2)NC1=O Z2692093571 [0,1,0,1,0,0|1,0,1]=4 1266 B13R2.435 CC(C)C1=NC2=C(N1)C=CC=C2 Z50129788 [0,1,0,1,0,0|1,0,1]=4 1267 B13R2.435 CC(N)C1=NC2=C(N1)C=CC=C2 Z56795976 [0,1,0,1,0,0|1,0,1]=4 1268 B13R2.435 C[C@@H](O)C1=NC2=C(N1)C=CC=C2 Z1197664657 [0,1,0,1,0,0|1,0,1]=4 1269 B13R2.435 C[C@H](O)C1=NC2=C(N1)C=CC=C2 Z1197664828 [0,1,0,1,0,0|1,0,1]=4 1270 B13R2.435 NC(=O)C1CC2=C(N1)C=CC=C2 Z1255399804 [0,1,0,1,0,0|1,0,1]=4 1271 B13R2.435 NC(=O)[C@@H]1CC2=C(N1)C=CC=C2 Z760046840 [0,1,0,1,0,0|1,0,1]=4 1272 B13R2.435 O=C(O)C1CC2=C(N1)C=CC=C2 Z343211224 [0,1,0,1,0,0|1,0,1]=4 1273 B13R2.435 O=C(O)[C@@H]1CC2=C(N1)C=CC=C2 Z335079490 [0,1,0,1,0,0|1,0,1]=4 1274 B13R2.42 NC[C@@H]1C[C@H]1C2=CC=C(C=C2)F Z2286737527 [0,1,0,1,0,0|2,0,0]=4 1275 B13R2.43 CCC1=NC2=C(N1)C=CC(=C2)C Z57370319 [0,1,0,1,0,0|1,0,1]=4 1276 B13R2.43 CCN1CC2=C(C1)C=C(C=C2)Cl Z4745332343 [0,1,0,1,0,0|2,0,0]=4 1277 B13R2.43 CNC1CC2=C(C1)C=C(C=C2)C Z1509336365 [0,1,0,1,0,0|2,0,0]=4 1278 B13R2.43 NCC1CC2=C(O1)C=CC(=C2)Br Z1269117858 [0,1,0,1,0,0|2,0,0]=4 1279 B13R2.43 OCC1CC2=C(O1)C=CC(=C2)Br Z1269186761 [0,1,0,1,0,0|2,0,0]=4 1280 B13R2.43 OCC1CC2=C(O1)C=CC(=C2)F Z1198725007 [0,1,0,1,0,0|2,0,0]=4 1281 B13R2.146 CC1CCN1C2=CC=C(C=C2)Br Z1464058881 [0,1,0,1,0,0|2,0,0]=4 1282 B13R2.148 NC1(CC1)CC2=CC=C(C=C2)Cl Z3244909154 [0,1,0,1,0,0|0,0,0]=2 1283 B13R2.148 NC1(CC1)CC2=CC=C(C=C2)F Z2235812186 [0,1,0,1,0,0|0,0,0]=2 1284 B13R2.1069 BrC1=CC=C(C=C1)NC2CCC2 Z3214799158 [0,1,0,1,0,0|2,0,0]=4 1285 B13R2.1069 ClC1=CC=C(C=C1)CC2CNC2 Z1333043513 [0,1,0,1,0,0|2,0,0]=4 1286 B13R2.1069 FC1=CC=C(C=C1)CC2CNC2 Z1274177347 [0,1,0,1,0,0|2,0,0]=4 1287 B13R2.1069 FC1=CC=C(C=C1)NC2CCC2 Z3247773511 [0,1,0,1,0,0|2,0,0]=4 1288 B13R2.1069 IC1=CC=C(C=C1)OC2CCC2 Z1862022366 [0,1,0,1,0,0|2,0,0]=4 1289 B13R2.1069 OC1=CC=C(C=C1)CC2CCC2 Z1513872159 [0,1,0,1,0,0|1,0,0]=3 1290 B13R2.1069 OC1=CC=C(C=C1)OC2CCC2 Z2515400422 [0,1,0,1,0,0|2,0,0]=4 1291 B13R2.3028 CC1=CC2=C(C=C1)CC(C2N)C Z1625822273 [0,1,0,1,0,0|2,0,0]=4 1292 B13R2.3028 CC1CC2=C(C1N)C=C(C=C2)F Z1398462002 [0,1,0,1,0,0|2,0,0]=4 1293 B13R2.3683 CC1=NC2=C(C=N1)CC(CC2)N Z255150112 [0,1,0,1,0,0|2,0,0]=4 1294 B13R2.3683 CC1CC2=C(C=C(C=C2)F)CN1 Z979717396 [0,1,0,1,0,0|2,0,0]=4 1295 B13R2.3683 CC1CCC2=C(C1)C=NC(=C2)N Z2906227881 [0,1,0,1,0,0|2,0,0]=4 1296 B13R2.3683 OC1CCC2=C(C1)C=CC(=C2)Br Z449374978 [0,1,0,1,0,0|1,0,0]=3 1297 B13R2.152 CC1(CO1)CC2=CC(=CC=C2)F Z1763013423 [0,1,0,1,0,0|2,0,0]=4 1298 B13R2.155 CC1CNC2=C(C1)C=C(C=C2)F Z5085288248 [0,1,0,1,0,0|2,0,0]=4 1299 B13R2.155 CN1CCC2=C(C1)C=C(C=C2)N Z1250426930 [0,1,0,1,0,0|2,0,0]=4 1300 B13R2.155 NC1CCC2=NNC(=O)C=C2C1 Z3675437395 [0,1,0,1,0,0|2,0,0]=4 1301 B13R2.155 NC1COC2=C(C1)C=C(C=C2)Br Z3225516948 [0,1,0,1,0,0|1,0,0]=3 1302 B13R2.155 NC1COC2=C(C1)C=C(C=C2)F Z2146513958 [0,1,0,1,0,0|1,0,0]=3 1303 B13R2.155 OC1=CC2=C(C=C1)CCC(C2)O Z1513811314 [0,1,0,1,0,0|1,0,0]=3 1304 B13R2.155 OC1CNC2=C(C1)C=C(C=C2)Br Z2733593416 [0,1,0,1,0,0|2,0,0]=4 1305 B13R2.155 OC1CNC2=C(C1)C=C(C=C2)F Z1813139692 [0,1,0,1,0,0|2,0,0]=4 1306 B13R2.3021 BrC1=CC(=CC=C1)NC2CCC2 Z859815844 [0,1,0,1,0,0|2,0,0]=4 1307 B13R2.3021 FC1=CC(=CC=C1)CC2CNC2 Z1695669957 [0,1,0,1,0,0|2,0,0]=4 1308 B13R2.3021 NC1=CC(=CC=C1)OC2CCC2 Z1262643198 [0,1,0,1,0,0|2,0,0]=4 1309 B13R2.5179 CC1=C2OCC(CC2=CC=C1)N Z2168541825 [0,1,0,1,0,0|1,0,0]=3 1310 B13R2.5179 CC1CCC2=C(N1)C=CC=C2O Z1262576864 [0,1,0,1,0,0|2,0,0]=4 1311 B13R2.5179 CC1CNC2=C(C1)C=CC=C2F Z2739831837 [0,1,0,1,0,0|2,0,0]=4 1312 B13R2.5179 CN1CCC2=C(C1)C=CC=C2N Z818732096 [0,1,0,1,0,0|2,0,0]=4 1313 B13R2.5179 OC1=CC=CC2=C1NCC(C2)O Z2737445967 [0,1,0,1,0,0|2,0,0]=4 1314 B13R2.5190 CC1CC2=C(C1C)C=CC(=C2)O Z1513871470 [0,1,0,1,0,0|1,0,0]=3 1315 B13R2.5190 CC1CC2=C(C1N)C=CC(=C2)Br Z5129562645 [0,1,0,1,0,0|2,0,0]=4 1316 B13R2.101 NCC1(CC1)CC2=CC=CC=C2 Z1262627881 [0,1,0,1,0,0|0,0,0]=2 1317 B13R2.101 NCC1(CC1)SC2=CC=CC=C2 Z1162907902 [0,1,0,1,0,0|1,0,0]=3 1318 B13R2.103 CC1(CC2=C(C1)C=CC=C2)CO Z1896371614 [0,1,0,1,0,0|2,0,0]=4 1319 B13R2.103 NC1(CC2=C(C1)C=CC=C2)CO Z734151298 [0,1,0,1,0,0|1,0,0]=3 1320 B13R2.103 NCC1(CC2=C(C1)C=CC=C2)O Z449368636 [0,1,0,1,0,0|2,0,0]=4 1321 B13R2.222 CC1(CC2=C(C=CC=C2)CN1)C Z3235901726 [0,1,0,1,0,0|2,0,0]=4 1322 B13R2.222 CC1(CCC2=C(C1)C=CC=C2)N Z489303314 [0,1,0,1,0,0|0,0,0]=2 1323 B13R2.222 CC1(CCC2=C(C1)C=CC=C2)O Z489303234 [0,1,0,1,0,0|1,0,0]=3 1324 B13R2.222 CC1(CCC2=C(N1)C=CC=C2)C Z1198279006 [0,1,0,1,0,0|2,0,0]=4 1325 B13R2.222 CC1(CCC2=C(O1)C=CC=C2)C Z740530926 [0,1,0,1,0,0|2,0,0]=4 1326 B13R2.222 CC1(CNC2=C(C1)C=CC=C2)C Z3817108766 [0,1,0,1,0,0|2,0,0]=4 1327 B13R2.243 CC1(CC2=C(C1N)C=CC=C2)C Z4167757602 [0,1,0,1,0,0|2,0,0]=4 1328 B13R2.162 CC1=C2CC(COC2=CC=C1)N Z2587655446 [0,1,0,1,0,0|1,0,0]=3 1329 B13R2.162 CC1CC2=C(C=CC=C2N)CN1 Z1416163021 [0,1,0,1,0,0|2,0,0]=4 1330 B13R2.162 CN1CCC2=C(C1)C(=CC=C2)O Z1255495206 [0,1,0,1,0,0|2,0,0]=4 1331 B13R2.162 NC1CCC2=C(C1)C(=CC=N2)O Z5113824288 [0,1,0,1,0,0|1,0,0]=3 1332 B13R2.162 NC1COC2=C(C1)C(=CC=C2)Br Z2731860545 [0,1,0,1,0,0|1,0,0]=3 1333 B13R2.162 O=C1CCC2=CC=CC(=C2C1)Br Z1269110065 [0,1,0,1,0,0|1,0,1]=4 1334 B13R2.162 O=C1CCC2=CC=CC(=C2C1)Cl Z1198163928 [0,1,0,1,0,0|1,0,1]=4 1335 B13R2.162 OC1CCC2=C(C1)C(=CC=C2)Br Z1862026178 [0,1,0,1,0,0|1,0,0]=3 1336 B13R2.215 NC1CCC1C2=C(C=CC=C2)Cl Z1695906760 [0,1,0,1,0,0|0,0,0]=2 1337 B13R2.217 NC1(CC1)CC2=C(C=CC=C2)Br Z2197092667 [0,1,0,1,0,0|0,0,0]=2 1338 B13R2.4825 C[C@@H]1CC2=C(C=CC=C2[C@@H]1N)Cl Z3172815917 [0,1,0,1,0,0|2,0,0]=4 1339 B13R2.5225 BrC1=C(C=CC=C1)NC2CCC2 Z3223850159 [0,1,0,1,0,0|2,0,0]=4 1340 B13R2.5225 ClC1=C(C=CC=C1)CC2CNC2 Z1272948979 [0,1,0,1,0,0|2,0,0]=4 1341 B13R2.5225 FC1=C(C=CC=C1)CC2CNC2 Z1270502317 [0,1,0,1,0,0|2,0,0]=4 1342 B13R2.5225 IC1=C(C=CC=C1)NC2CCC2 Z4034735916 [0,1,0,1,0,0|2,0,0]=4 1343 B13R3.3800 N[C@@H]1[C@@H]2[C@H]1C3=C(C2)C=CC=C3 Z2888819437 [0,0,0,2,0,0|0,0,0]=2 1344 B13R3.28 C1=CC2=C(C=C1)[C@@H]3O[C@@H]3CC2 Z3177279256 [0,0,0,2,0,0|1,0,0]=3 1345 B9R1.12 CCCCC1=CN=CO1 Z2520746593 [1,0,0,0,1,0|2,0,0]=4 1346 B9R1.12 CCNCC1=CC=CO1 Z90513169 [1,0,0,0,1,0|2,0,0]=4 1347 B9R1.12 CCNCC1=COC=C1 Z385447452 [1,0,0,0,1,0|2,0,0]=4 1348 B9R1.12 CNCCC1=CC=CS1 Z162416950 [1,0,0,0,1,0|2,0,0]=4 1349 B9R1.12 NCCCN1C=CC=C1 Z600497510 [1,0,0,0,1,0|2,0,0]=4 1350 B9R1.12 OCCCC1=COC=C1 Z1198265634 [1,0,0,0,1,0|2,0,0]=4 1351 B9R1.12 OCCCC1=CSC=C1 Z993012564 [1,0,0,0,1,0|2,0,0]=4 1352 B9R1.6 CC(=O)C1=CC=CC=C1 Z57127548 [1,0,0,0,1,0|1,0,1]=4 1353 B9R1.6 CC(C)C1=NC=CC=C1 Z1198148831 [1,0,0,0,1,0|2,0,0]=4 1354 B9R1.6 CC(N)C1=CC=CC=C1 Z57102377 [1,0,0,0,1,0|0,0,0]=2 1355 B9R1.6 CC(N)C1=CN=CC=C1 Z85921957 [1,0,0,0,1,0|1,0,0]=3 1356 B9R1.6 CC(N)C1=NC=CC=C1 Z56347059 [1,0,0,0,1,0|1,0,0]=3 1357 B9R1.6 CC(N)C1=NC=CC=N1 Z2945456281 [1,0,0,0,1,0|2,0,0]=4 1358 B9R1.6 CC(O)C1=CC=CC=C1 Z104494956 [1,0,0,0,1,0|1,0,0]=3 1359 B9R1.6 CC(O)C1=CC=NC=C1 Z335245082 [1,0,0,0,1,0|2,0,0]=4 1360 B9R1.6 CC(O)C1=CN=CC=C1 Z335245084 [1,0,0,0,1,0|2,0,0]=4 1361 B9R1.6 CC(O)C1=NC=CC=C1 Z335244914 [1,0,0,0,1,0|2,0,0]=4 1362 B9R1.6 CN(N)C1=CC=CC=C1 Z57985384 [1,0,0,0,1,0|1,0,0]=3 1363 B9R1.6 C[C@@H](N)C1=CC=CC=C1 Z1079183182 [1,0,0,0,1,0|0,0,0]=2 1364 B9R1.6 C[C@@H](N)C1=CC=NC=C1 Z1197994836 [1,0,0,0,1,0|1,0,0]=3 1365 B9R1.6 C[C@@H](O)C1=CC=CC=C1 Z360055166 [1,0,0,0,1,0|1,0,0]=3 1366 B9R1.6 C[C@H](N)C1=CC=CC=C1 Z1079131570 [1,0,0,0,1,0|0,0,0]=2 1367 B9R1.6 C[C@H](N)C1=CC=NC=C1 Z1492781304 [1,0,0,0,1,0|1,0,0]=3 1368 B9R1.6 C[C@H](O)C1=CC=CC=C1 Z360055168 [1,0,0,0,1,0|1,0,0]=3 1369 B9R1.6 N=C(N)C1=CC=CC=C1 Z166624376 [1,0,0,0,1,0|1,0,1]=4 1370 B9R1.6 NC(=S)C1=CC=CC=C1 Z57070430 [1,0,0,0,1,0|1,0,1]=4 1371 B9R1.13 CC(N)CC1=CC=CO1 Z285143986 [1,0,0,0,1,0|1,0,0]=3 1372 B9R1.13 CC(N)CC1=CC=CS1 Z1160899518 [1,0,0,0,1,0|1,0,0]=3 1373 B9R1.13 CC(N)CC1=CNN=C1 Z5233405251 [1,0,0,0,1,0|2,0,0]=4 1374 B9R1.13 CC(N)CC1=COC=C1 Z1098234443 [1,0,0,0,1,0|1,0,0]=3 1375 B9R1.13 CC(N)CN1C=CC=N1 Z271011614 [1,0,0,0,1,0|2,0,0]=4 1376 B9R1.13 CC(N)CN1C=CN=C1 Z271011862 [1,0,0,0,1,0|2,0,0]=4 1377 B9R1.11 CCC(N)C1=CC=CS1 Z744593088 [0,0,0,0,2,0|1,0,0]=3 1378 B9R1.11 CCC(N)C1=COC=N1 Z3594983524 [0,0,0,0,2,0|2,0,0]=4 1379 B9R1.11 CCC(N)C1=NC=CN1 Z1723549294 [0,0,0,0,2,0|2,0,0]=4 1380 B9R1.11 CCC(N)C1=NC=CS1 Z803082570 [0,0,0,0,2,0|2,0,0]=4 1381 B9R1.11 NC(CO)C1=CC=CO1 Z1255405023 [0,0,0,0,2,0|2,0,0]=4 1382 B13R1.718 CC(CN)COCC1=CC=CC=C1 Z812516860 [0,0,0,0,0,2|2,0,0]=4 1383 B13R1.718 CC(CO)OCCC1=CC=CC=C1 Z2235681135 [0,0,0,0,0,2|2,0,0]=4 1384 B13R1.718 CCC(=O)NCCC1=CC=CC=C1 Z27761616 [0,0,0,0,0,2|1,0,1]=4 1385 B13R1.718 CCC(=O)NOCC1=CC=CC=C1 Z225862544 [0,0,0,0,0,2|1,0,1]=4 1386 B13R1.718 CCC(O)CNCC1=CC=CC=C1 Z600449726 [0,0,0,0,0,2|1,0,0]=3