0 B11R1.16 C#CCC(O)C1=CC=CC=C1 Z932373338 [0,0,0,0,0,0|1,0,1]=2 1 B11R1.16 C#CCN(C)C1=CC=CC=C1 Z103708484 [0,0,0,0,0,0|3,0,1]=4 2 B11R1.16 C=CCC(N)C1=CC=NC=C1 Z1268152401 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.16 CC(CC#N)C1=CC=CC=C1 Z1251357056 [0,0,0,0,0,0|2,0,1]=3 4 B11R1.16 CC(CC=O)C1=CC=CC=C1 Z57921394 [0,0,0,0,0,0|2,0,1]=3 5 B11R1.16 CC(N=C=S)C1=CC=CC=C1 Z57358351 [0,0,0,0,0,0|3,0,1]=4 6 B11R1.16 CCCC(=O)C1=CC=CC=C1 Z104477742 [0,0,0,0,0,0|1,0,2]=3 7 B11R1.16 CCCC(=O)C1=CN=CC=C1 Z513733856 [0,0,0,0,0,0|2,0,2]=4 8 B11R1.16 CCCC(=O)C1=NC=CC=C1 Z513733774 [0,0,0,0,0,0|2,0,2]=4 9 B11R1.16 CCCC(N)C1=NC=CC=C1 Z513795928 [0,0,0,0,0,0|3,0,0]=3 10 B11R1.16 CCCC(O)C1=CC=CC=C1 Z335244704 [0,0,0,0,0,0|1,0,0]=1 11 B11R1.16 CCNC(C)C1=CC=NC=C1 Z1695709422 [0,0,0,0,0,0|4,0,0]=4 12 B11R1.16 CCNC(C)C1=CN=CC=C1 Z163548568 [0,0,0,0,0,0|4,0,0]=4 13 B11R1.16 CCOC(=O)C1=CC=CC=C1 Z53835169 [0,0,0,0,0,0|2,0,2]=4 14 B11R1.16 CN(CCN)C1=CC=CC=C1 Z154669318 [0,0,0,0,0,0|3,0,0]=3 15 B11R1.16 CN(CCN)C1=NC=CC=C1 Z3026268353 [0,0,0,0,0,0|4,0,0]=4 16 B11R1.16 CN(CCO)C1=CC=CC=C1 Z138702688 [0,0,0,0,0,0|3,0,0]=3 17 B11R1.16 CN(CCO)C1=NC=CC=C1 Z54633859 [0,0,0,0,0,0|4,0,0]=4 18 B11R1.16 CNCC(C)C1=CC=CC=C1 Z57797325 [0,0,0,0,0,0|3,0,0]=3 19 B11R1.16 COCC(N)C1=CC=CC=C1 Z271013088 [0,0,0,0,0,0|3,0,0]=3 20 B11R1.16 CSCC(=O)C1=CC=CC=C1 Z732208586 [0,0,0,0,0,0|2,0,2]=4 21 B11R1.16 CSCC(N)C1=CC=CC=C1 Z995116260 [0,0,0,0,0,0|3,0,0]=3 22 B11R1.16 N#CCC(=O)C1=CC=CC=C1 Z56899088 [0,0,0,0,0,0|1,0,3]=4 23 B11R1.16 N#CCC(N)C1=CC=CC=C1 Z1415893991 [0,0,0,0,0,0|2,0,1]=3 24 B11R1.16 NC(CCO)C1=CC=CC=C1 Z382816560 [0,0,0,0,0,0|2,0,0]=2 25 B11R1.16 NCCC(O)C1=CC=CC=C1 Z1020673398 [0,0,0,0,0,0|1,0,0]=1 26 B11R1.16 NCCS(=O)C1=CC=CC=C1 Z1266854955 [0,0,0,0,0,0|2,0,1]=3 27 B11R1.16 O=C(CCCl)C1=CC=CC=C1 Z1065610596 [0,0,0,0,0,0|0,0,2]=2 28 B11R1.16 O=C(NCO)C1=CC=CC=C1 Z56799838 [0,0,0,0,0,0|2,0,2]=4 29 B11R1.16 O=S(CCCl)C1=CC=CC=C1 Z421771494 [0,0,0,0,0,0|1,0,1]=2 30 B11R1.16 O[C@@H](CCCl)C1=CC=CC=C1 Z1255427232 [0,0,0,0,0,0|0,0,0]=0 31 B11R1.16 O[C@H](CCCl)C1=CC=CC=C1 Z1255356297 [0,0,0,0,0,0|0,0,0]=0 32 B10R1.15 C=C(CN)C1=CC=CC=C1 Z2065464323 [1,0,0,0,0,0|2,0,1]=4 33 B10R1.15 C=CC(O)C1=CC=CC=C1 Z1255438717 [1,0,0,0,0,0|0,0,2]=3 34 B10R1.15 CC(C=O)C1=CC=CC=C1 Z104495674 [1,0,0,0,0,0|2,0,1]=4 35 B10R1.15 CC(CBr)C1=CC=CC=C1 Z756118300 [1,0,0,0,0,0|1,1,0]=3 36 B10R1.15 CC(CN)C1=CC=NC=C1 Z415654978 [1,0,0,0,0,0|3,0,0]=4 37 B10R1.15 CCC(=O)C1=CC=CC=C1 Z104473068 [1,0,0,0,0,0|0,0,2]=3 38 B10R1.15 CCC(=O)C1=CC=NC=C1 Z513733916 [1,0,0,0,0,0|1,0,2]=4 39 B10R1.15 CCC(N)C1=CC=CC=C1 Z1262252904 [1,0,0,0,0,0|1,0,0]=2 40 B10R1.15 CCC(N)C1=CC=NC=C1 Z228583312 [1,0,0,0,0,0|2,0,0]=3 41 B10R1.15 CCC(O)C1=CC=CC=C1 Z335245178 [1,0,0,0,0,0|0,0,0]=1 42 B10R1.15 CCC(O)C1=CC=NC=C1 Z513749638 [1,0,0,0,0,0|1,0,0]=2 43 B10R1.15 CNC(=N)C1=CC=CC=C1 Z2096088186 [1,0,0,0,0,0|2,0,1]=4 44 B10R1.15 CNC(=O)C1=CC=CC=C1 Z32016410 [1,0,0,0,0,0|1,0,2]=4 45 B10R1.15 CNC(C)C1=CC=CC=C1 Z85917524 [1,0,0,0,0,0|2,0,0]=3 46 B10R1.15 CNC(C)C1=CN=CC=C1 Z451350188 [1,0,0,0,0,0|3,0,0]=4 47 B10R1.15 CNC(C)C1=NC=CC=C1 Z451350194 [1,0,0,0,0,0|3,0,0]=4 48 B10R1.15 COC(=O)C1=CC=CC=C1 Z19825577 [1,0,0,0,0,0|1,0,2]=4 49 B10R1.15 C[C@H](CN)C1=CC=CC=C1 Z1203578128 [1,0,0,0,0,0|2,0,0]=3 50 B10R1.15 N#CC(Br)C1=CC=CC=C1 Z1198157485 [1,0,0,0,0,0|2,0,1]=4 51 B10R1.15 NC(CO)C1=CC=CC=C1 Z381674942 [1,0,0,0,0,0|2,0,0]=3 52 B10R1.15 NC(CO)C1=CN=CC=C1 Z2350903961 [1,0,0,0,0,0|3,0,0]=4 53 B10R1.15 NCC(=O)C1=CC=CC=C1 Z600428568 [1,0,0,0,0,0|1,0,2]=4 54 B10R1.15 NCC(N)C1=CC=CC=C1 Z425861034 [1,0,0,0,0,0|2,0,0]=3 55 B10R1.15 NCC(O)C1=CC=CC=C1 Z104476088 [1,0,0,0,0,0|1,0,0]=2 56 B10R1.15 NCC(O)C1=CN=CC=C1 Z336086578 [1,0,0,0,0,0|2,0,0]=3 57 B10R1.15 NCC(O)C1=NC=CC=C1 Z802671456 [1,0,0,0,0,0|2,0,0]=3 58 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 Z1201618614 [1,0,0,0,0,0|2,0,0]=3 59 B10R1.15 N[C@H](CO)C1=CC=CC=C1 Z1101444224 [1,0,0,0,0,0|2,0,0]=3 60 B10R1.15 O=C(CCl)C1=CC=CC=C1 Z57834468 [1,0,0,0,0,0|0,0,2]=3 61 B10R1.15 O=C(CCl)C1=CC=NC=C1 Z1198181039 [1,0,0,0,0,0|1,0,2]=4 62 B10R1.15 O=C(CCl)C1=CN=CC=C1 Z2768198137 [1,0,0,0,0,0|1,0,2]=4 63 B10R1.15 O=C(CCl)C1=NC=CC=C1 Z1205657985 [1,0,0,0,0,0|1,0,2]=4 64 B10R1.15 O=C(CO)C1=CC=CC=C1 Z906206792 [1,0,0,0,0,0|1,0,2]=4 65 B10R1.15 OCC(O)C1=CC=NC=C1 Z2736474279 [1,0,0,0,0,0|2,0,0]=3 66 B10R1.15 OCC(O)C1=NC=CC=C1 Z4985119178 [1,0,0,0,0,0|2,0,0]=3 67 B10R1.17 BrCCOC1=CC=CC=C1 Z56950513 [1,0,0,0,0,0|1,1,0]=3 68 B10R1.17 CCCCC1=CC=CC=C1 Z104492496 [1,0,0,0,0,0|1,0,0]=2 69 B10R1.17 CCCNC1=CN=CC=C1 Z334882412 [1,0,0,0,0,0|3,0,0]=4 70 B10R1.17 CCNCC1=CC=CC=C1 Z57327176 [1,0,0,0,0,0|2,0,0]=3 71 B10R1.17 CCNCC1=CC=NC=C1 Z57327181 [1,0,0,0,0,0|3,0,0]=4 72 B10R1.17 CCNCC1=NC=CC=C1 Z90513146 [1,0,0,0,0,0|3,0,0]=4 73 B10R1.17 CCSCC1=NC=CC=C1 Z1607601848 [1,0,0,0,0,0|3,0,0]=4 74 B10R1.17 CNCCC1=CC=CC=C1 Z445226260 [1,0,0,0,0,0|2,0,0]=3 75 B10R1.17 CNCCC1=CC=NC=C1 Z235580560 [1,0,0,0,0,0|3,0,0]=4 76 B10R1.17 CNCCC1=CN=CC=C1 Z2418466818 [1,0,0,0,0,0|3,0,0]=4 77 B10R1.17 CNCCC1=NC=CC=C1 Z2238930991 [1,0,0,0,0,0|3,0,0]=4 78 B10R1.17 COCCC1=CC=CC=C1 Z104494216 [1,0,0,0,0,0|2,0,0]=3 79 B10R1.17 N#CCCC1=CC=CC=C1 Z104507980 [1,0,0,0,0,0|1,0,1]=3 80 B10R1.17 N#CCNC1=CC=CC=C1 Z56347332 [1,0,0,0,0,0|2,0,1]=4 81 B10R1.17 N#CCOC1=CC=CC=C1 Z53792061 [1,0,0,0,0,0|2,0,1]=4 82 B10R1.17 N#CCSC1=CC=CC=C1 Z19751391 [1,0,0,0,0,0|2,0,1]=4 83 B10R1.17 NC/C=C/C1=CC=CC=C1 Z2953771905 [1,0,0,0,0,0|1,0,2]=4 84 B10R1.17 NCC#CC1=CC=CC=C1 Z227964210 [1,0,0,0,0,0|1,0,2]=4 85 B10R1.17 NCCCC1=CC=CC=C1 Z104478312 [1,0,0,0,0,0|1,0,0]=2 86 B10R1.17 NCCCC1=CN=CC=C1 Z3058301115 [1,0,0,0,0,0|2,0,0]=3 87 B10R1.17 NCCCC1=CN=NC=C1 Z3270187722 [1,0,0,0,0,0|3,0,0]=4 88 B10R1.17 NCCCC1=NC=CC=C1 Z600381818 [1,0,0,0,0,0|2,0,0]=3 89 B10R1.17 NCCCC1=NC=CN=C1 Z1474025943 [1,0,0,0,0,0|3,0,0]=4 90 B10R1.17 NCCNC1=CC=NC=C1 Z317257862 [1,0,0,0,0,0|3,0,0]=4 91 B10R1.17 NCCNC1=NC=CC=C1 Z85923460 [1,0,0,0,0,0|3,0,0]=4 92 B10R1.17 NCCOC1=CC=CC=C1 Z355423232 [1,0,0,0,0,0|2,0,0]=3 93 B10R1.17 NCCOC1=CC=NC=C1 Z3243651499 [1,0,0,0,0,0|3,0,0]=4 94 B10R1.17 NCCOC1=CN=CC=C1 Z429662874 [1,0,0,0,0,0|3,0,0]=4 95 B10R1.17 NCCSC1=CC=CC=C1 Z57970213 [1,0,0,0,0,0|2,0,0]=3 96 B10R1.17 NNCCC1=CC=CC=C1 Z927192062 [1,0,0,0,0,0|2,0,0]=3 97 B10R1.17 O=CCCC1=CC=CC=C1 Z87002472 [1,0,0,0,0,0|1,0,1]=3 98 B10R1.17 O=CCCC1=CC=NC=C1 Z1070006438 [1,0,0,0,0,0|2,0,1]=4 99 B10R1.17 O=CCCC1=CN=CC=C1 Z1198276578 [1,0,0,0,0,0|2,0,1]=4 100 B10R1.17 O=CCCC1=NC=CC=C1 Z1079158816 [1,0,0,0,0,0|2,0,1]=4 101 B10R1.17 O=CCOC1=CC=CC=C1 Z854102570 [1,0,0,0,0,0|2,0,1]=4 102 B10R1.17 O=CNCC1=CC=CC=C1 Z1203730748 [1,0,0,0,0,0|2,0,1]=4 103 B10R1.17 OC/C=C/C1=CC=CC=C1 Z104473562 [1,0,0,0,0,0|1,0,2]=4 104 B10R1.17 OCCCC1=CC=CC=C1 Z104476660 [1,0,0,0,0,0|1,0,0]=2 105 B10R1.17 OCCCC1=CC=NC=C1 Z104475752 [1,0,0,0,0,0|2,0,0]=3 106 B10R1.17 OCCCC1=CN=CC=C1 Z104479004 [1,0,0,0,0,0|2,0,0]=3 107 B10R1.17 OCCCC1=NC=NC=C1 Z2044799287 [1,0,0,0,0,0|3,0,0]=4 108 B10R1.17 OCCNC1=CC=NC=C1 Z359301874 [1,0,0,0,0,0|3,0,0]=4 109 B10R1.17 OCCNC1=NC=CC=C1 Z31212159 [1,0,0,0,0,0|3,0,0]=4 110 B10R1.17 OCCOC1=CC=CC=C1 Z104473570 [1,0,0,0,0,0|2,0,0]=3 111 B10R1.17 OCCOC1=CN=CC=C1 Z1180078238 [1,0,0,0,0,0|3,0,0]=4 112 B10R1.17 OCCSC1=CC=CC=C1 Z149157348 [1,0,0,0,0,0|2,0,0]=3 113 B10R1.17 S=C=NCC1=CC=CC=C1 Z56869309 [1,0,0,0,0,0|2,0,1]=4 114 B12R1.3 C#CCC(NC)C1=CC=CC=C1 Z1815149215 [0,1,0,0,0,0|2,0,1]=4 115 B12R1.3 C=CCC(C=O)C1=CC=CC=C1 Z1416169093 [0,1,0,0,0,0|1,0,2]=4 116 B12R1.3 CCCC(C=O)C1=CC=CC=C1 Z1251357295 [0,1,0,0,0,0|1,0,1]=3 117 B12R1.3 CCCC(NC)C1=NC=CC=C1 Z513799952 [0,1,0,0,0,0|3,0,0]=4 118 B12R1.3 CCN(CCF)C1=CC=CC=C1 Z3886028878 [0,1,0,0,0,0|2,1,0]=4 119 B12R1.3 CCN(CCO)C1=CC=CC=C1 Z56922120 [0,1,0,0,0,0|3,0,0]=4 120 B12R1.3 CCNC(CC)C1=CC=CC=C1 Z316386730 [0,1,0,0,0,0|3,0,0]=4 121 B12R1.3 CCOC(C#N)C1=CC=CC=C1 Z1270207114 [0,1,0,0,0,0|3,0,0]=4 122 B12R1.3 CNC(CCO)C1=CC=CC=C1 Z1198162180 [0,1,0,0,0,0|2,0,0]=3 123 B12R1.3 NCC(CCO)C1=CC=CC=C1 Z1198177199 [0,1,0,0,0,0|2,0,0]=3 124 B12R1.16 CCCC(=O)C1=CC=C(C=C1)Cl Z104483624 [0,1,0,0,0,0|1,0,2]=4 125 B12R1.16 CCCC(N)C1=CC=C(C=C1)Cl Z1416203204 [0,1,0,0,0,0|2,0,0]=3 126 B12R1.16 CCNC(C)C1=CC=C(C=C1)F Z451452334 [0,1,0,0,0,0|3,0,0]=4 127 B12R1.16 CN(CCO)C1=CC=C(C=C1)F Z905079510 [0,1,0,0,0,0|3,0,0]=4 128 B12R1.16 CN(CCO)C1=CC=C(C=C1)N Z359383966 [0,1,0,0,0,0|3,0,0]=4 129 B12R1.16 CNCC(O)C1=CC=C(C=C1)F Z1263820285 [0,1,0,0,0,0|2,0,0]=3 130 B12R1.16 COCC(N)C1=CC=C(C=C1)F Z1297772361 [0,1,0,0,0,0|3,0,0]=4 131 B12R1.16 NC(CCO)C1=CC=C(C=C1)Br Z979743656 [0,1,0,0,0,0|2,0,0]=3 132 B12R1.16 NC(CCO)C1=CC=C(C=C1)F Z979743658 [0,1,0,0,0,0|2,0,0]=3 133 B12R1.16 O=C(CCCl)C1=CC=C(C=C1)F Z104478542 [0,1,0,0,0,0|0,0,2]=3 134 B12R1.17 CCNC(C)C1=CC(=CC=C1)O Z3479644552 [0,1,0,0,0,0|3,0,0]=4 135 B12R1.17 CNC[C@H](O)C1=CC(=CC=C1)O Z1198723489 [0,1,0,0,0,0|2,0,0]=3 136 B12R1.17 COCC(O)C1=CC(=CC=C1)N Z970071366 [0,1,0,0,0,0|2,0,0]=3 137 B12R1.17 N#CCC(O)C1=CC(=CC=C1)Cl Z1255429594 [0,1,0,0,0,0|1,0,1]=3 138 B12R1.30 C#CCCC(=O)C1=CC=CC=C1 Z406376668 [0,1,0,0,0,0|1,0,2]=4 139 B12R1.30 C=CCCC(=O)C1=CC=CC=C1 Z406376458 [0,1,0,0,0,0|1,0,2]=4 140 B12R1.30 C=CCCC(N)C1=CC=CC=C1 Z1219748388 [0,1,0,0,0,0|2,0,0]=3 141 B12R1.30 CCCCC(O)C1=CC=CC=C1 Z445987132 [0,1,0,0,0,0|1,0,0]=2 142 B12R1.30 CCCC[C@@H](N)C1=CC=CC=C1 Z1642061107 [0,1,0,0,0,0|2,0,0]=3 143 B12R1.30 CCCC[C@@H](O)C1=CC=CC=C1 Z1127664488 [0,1,0,0,0,0|1,0,0]=2 144 B12R1.30 CCCC[C@H](N)C1=CC=CC=C1 Z1649893428 [0,1,0,0,0,0|2,0,0]=3 145 B12R1.30 CCCC[C@H](O)C1=CC=CC=C1 Z1127664374 [0,1,0,0,0,0|1,0,0]=2 146 B12R1.30 CCCNC(C)C1=CC=CC=C1 Z57397067 [0,1,0,0,0,0|2,0,0]=3 147 B12R1.30 CCCOC(=O)C1=CC=CC=C1 Z53835171 [0,1,0,0,0,0|1,0,2]=4 148 B12R1.30 CCNCC(N)C1=CC=CC=C1 Z756920572 [0,1,0,0,0,0|2,0,0]=3 149 B12R1.30 CCSCC(=O)C1=CC=CC=C1 Z447928014 [0,1,0,0,0,0|1,0,2]=4 150 B12R1.30 CN(CCCO)C1=CC=CC=C1 Z104585644 [0,1,0,0,0,0|3,0,0]=4 151 B12R1.30 CNCCN(C)C1=CC=CC=C1 Z335286914 [0,1,0,0,0,0|3,0,0]=4 152 B12R1.30 COCCC(N)C1=CN=CC=C1 Z2768512544 [0,1,0,0,0,0|3,0,0]=4 153 B12R1.30 COCCC(O)C1=CC=CC=C1 Z818738046 [0,1,0,0,0,0|1,0,0]=2 154 B12R1.30 CSCCC(=O)C1=CC=CC=C1 Z1201679033 [0,1,0,0,0,0|1,0,2]=4 155 B12R1.30 C[C@H](NCCO)C1=CC=CC=C1 Z1079131628 [0,1,0,0,0,0|2,0,0]=3 156 B12R1.30 N#CCCC(=O)C1=CC=CC=C1 Z168884010 [0,1,0,0,0,0|1,0,2]=4 157 B12R1.30 N#CCCC(N)C1=CC=CC=C1 Z1492796961 [0,1,0,0,0,0|2,0,0]=3 158 B12R1.30 NC(CCCO)C1=CC=CC=C1 Z1245735325 [0,1,0,0,0,0|2,0,0]=3 159 B12R1.30 NCCNC(=O)C1=CC=CC=C1 Z235363051 [0,1,0,0,0,0|1,0,2]=4 160 B12R1.30 O=C(CCCCl)C1=CC=CC=C1 Z104477558 [0,1,0,0,0,0|0,0,2]=3 161 B12R1.30 O=C(NCCO)C1=CC=CC=C1 Z31725250 [0,1,0,0,0,0|1,0,2]=4 162 B12R1.30 O=C(OCCCl)C1=CC=CC=C1 Z56928949 [0,1,0,0,0,0|0,0,2]=3 163 B12R1.30 O=C(OCCO)C1=CC=CC=C1 Z228585788 [0,1,0,0,0,0|1,0,2]=4 164 B12R1.34 C=C(C#N)C(O)C1=CC=CC=C1 Z320966940 [0,1,0,0,0,0|1,0,2]=4 165 B12R1.34 CC(C1=CC=CC=C1)C(N)CO Z1262398547 [0,1,0,0,0,0|2,0,0]=3 166 B12R1.34 CC(CN)N(C)C1=CC=CC=C1 Z228572562 [0,1,0,0,0,0|3,0,0]=4 167 B12R1.34 CC(CO)C(=O)C1=CC=CC=C1 Z1198183441 [0,1,0,0,0,0|1,0,2]=4 168 B12R1.34 CCC(N)C(C)C1=CC=CC=C1 Z1318372590 [0,1,0,0,0,0|2,0,0]=3 169 B12R1.34 CCC(N)C(O)C1=CC=CC=C1 Z1695783907 [0,1,0,0,0,0|1,0,0]=2 170 B12R1.34 CN(C(=O)CCl)C1=CC=CC=C1 Z56896212 [0,1,0,0,0,0|2,0,1]=4 171 B12R1.34 CNC(=O)C(O)C1=CC=CC=C1 Z1203869997 [0,1,0,0,0,0|2,0,1]=4 172 B12R1.34 COC(=O)C(O)C1=CC=CC=C1 Z19752945 [0,1,0,0,0,0|2,0,1]=4 173 B12R1.34 NC(CO)C(O)C1=CC=NC=C1 Z2696777507 [0,1,0,0,0,0|2,0,0]=3 174 B12R1.34 NC(CO)C(O)C1=NC=CC=C1 Z2694807446 [0,1,0,0,0,0|2,0,0]=3 175 B12R1.39 CC(C)(CCN)C1=CC=CC=C1 Z336081086 [0,1,0,0,0,0|2,0,0]=3 176 B12R1.39 CC(C)(CCO)C1=CC=CC=C1 Z1255440195 [0,1,0,0,0,0|2,0,0]=3 177 B12R1.39 CC(O)(CCN)C1=CC=CC=C1 Z1182310345 [0,1,0,0,0,0|1,0,0]=2 178 B12R1.39 CCNC(C)(C)C1=CC=CC=C1 Z991114618 [0,1,0,0,0,0|3,0,0]=4 179 B12R1.39 CNCC(F)(F)C1=CC=CC=C1 Z5719431865 [0,1,0,0,0,0|3,0,0]=4 180 B12R1.39 COCC(C)(N)C1=CC=CC=C1 Z992444342 [0,1,0,0,0,0|3,0,0]=4 181 B12R1.39 COCC(C)(O)C1=CC=CC=C1 Z992444182 [0,1,0,0,0,0|2,0,0]=3 182 B12R1.39 NCCS(=O)(=O)C1=CC=CC=C1 Z426041548 [0,1,0,0,0,0|2,0,1]=4 183 B12R1.39 O=S(=O)(CCCl)C1=CC=CC=C1 Z147642528 [0,1,0,0,0,0|1,0,1]=3 184 B12R1.107 C=C(C)CC(N)C1=CC=CC=C1 Z4497189696 [0,1,0,0,0,0|2,0,1]=4 185 B12R1.107 CC(C)CC(=O)C1=CC=CC=C1 Z104484314 [0,1,0,0,0,0|1,0,2]=4 186 B12R1.107 CC(C)CC(N)C1=CC=CC=C1 Z85929891 [0,1,0,0,0,0|2,0,0]=3 187 B12R1.107 CC(C)CC(N)C1=NC=CC=C1 Z513795936 [0,1,0,0,0,0|3,0,0]=4 188 B12R1.107 CC(C)CC(O)C1=NC=CC=C1 Z513749474 [0,1,0,0,0,0|2,0,0]=3 189 B12R1.107 CC(CC(=O)N)C1=CC=CC=C1 Z33546734 [0,1,0,0,0,0|2,0,1]=4 190 B12R1.107 CC(CC(=O)O)C1=CC=CC=C1 Z56899204 [0,1,0,0,0,0|2,0,1]=4 191 B12R1.107 CC(N)CC(=O)C1=CC=CC=C1 Z1413780437 [0,1,0,0,0,0|1,0,2]=4 192 B12R1.107 CC(N)CC(O)C1=CC=CC=C1 Z1262623600 [0,1,0,0,0,0|1,0,0]=2 193 B12R1.107 CC(N)CN(C)C1=CC=CC=C1 Z815264124 [0,1,0,0,0,0|3,0,0]=4 194 B12R1.107 CS(=O)CC(N)C1=CC=CC=C1 Z1238793494 [0,1,0,0,0,0|3,0,0]=4 195 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 Z94601171 [0,1,0,0,0,0|2,0,1]=4 196 B12R1.107 NC(CC(F)F)C1=CC=CC=C1 Z2327568967 [0,1,0,0,0,0|1,1,0]=3 197 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 Z756925772 [0,1,0,0,0,0|2,0,1]=4 198 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 Z1696091779 [0,1,0,0,0,0|2,0,1]=4 199 B12R1.107 O=C(O)CC(O)C1=CC=CC=C1 Z982132010 [0,1,0,0,0,0|1,0,1]=3 200 B12R1.308 CCCC(=O)C1=C(C=CC=C1)Cl Z733415242 [0,1,0,0,0,0|1,0,2]=4 201 B12R1.308 CCCC(O)C1=C(C=CC=C1)Cl Z733415366 [0,1,0,0,0,0|1,0,0]=2 202 B12R1.308 CCCN(C)C1=C(C=CC=C1)N Z409202040 [0,1,0,0,0,0|3,0,0]=4 203 B12R1.308 NC(CCO)C1=C(C=CC=C1)Br Z979743696 [0,1,0,0,0,0|2,0,0]=3 204 B12R1.308 NCCC(=O)C1=C(C=CC=C1)N Z2037273395 [0,1,0,0,0,0|1,0,2]=4 205 B12R1.308 NCCS(=O)C1=C(C=CC=C1)F Z1267881675 [0,1,0,0,0,0|2,0,1]=4 206 B12R2.2 C1=CC(=CC=N1)C2CCCN2 Z238920298 [0,0,0,1,0,0|3,0,0]=4 207 B12R2.2 C1=CC(=CC=N1)C2CCNC2 Z2492414323 [0,0,0,1,0,0|3,0,0]=4 208 B12R2.2 C1=CC(=CN=C1)C2CCCN2 Z164706372 [0,0,0,1,0,0|3,0,0]=4 209 B12R2.2 C1=CC=C(C=C1)C2=NCCC2 Z235344923 [0,0,0,1,0,0|2,0,1]=4 210 B12R2.2 C1=CC=C(C=C1)C2CCCN2 Z223138744 [0,0,0,1,0,0|2,0,0]=3 211 B12R2.2 C1=CC=C(C=C1)C2CCNC2 Z926900322 [0,0,0,1,0,0|2,0,0]=3 212 B12R2.2 C1=CN=C(C=C1)C2CCNC2 Z940902744 [0,0,0,1,0,0|3,0,0]=4 213 B12R2.22 N[C@H]1C[C@@H](C1)C2=CC=CC=C2 Z2301685436 [0,0,0,1,0,0|2,0,0]=3 214 B12R2.22 O=C1CC(C1)C2=CC=CC=C2 Z336080338 [0,0,0,1,0,0|2,0,1]=4 215 B12R2.22 O=C1CC(N1)C2=CC=CC=C2 Z367677412 [0,0,0,1,0,0|2,0,1]=4 216 B12R2.22 OC1CC(C1)C2=CC=CC=C2 Z501748204 [0,0,0,1,0,0|2,0,0]=3 217 B12R2.22 O[C@H]1C[C@H](C1)C2=CC=CC=C2 Z1504675336 [0,0,0,1,0,0|2,0,0]=3 218 B12R2.27 CNC1CC1C2=CC=CC=C2 Z1443588579 [0,0,0,1,0,0|3,0,0]=4 219 B12R2.27 CN[C@@H]1C[C@H]1C2=CC=CC=C2 Z3024312938 [0,0,0,1,0,0|3,0,0]=4 220 B12R2.27 N#C[C@@H]1C[C@H]1C2=CC=CC=C2 Z1198147613 [0,0,0,1,0,0|2,0,1]=4 221 B12R2.27 NCC1CC1C2=CC=CC=C2 Z1276751392 [0,0,0,1,0,0|2,0,0]=3 222 B12R2.27 O=C[C@@H]1C[C@H]1C2=CC=CC=C2 Z2298064271 [0,0,0,1,0,0|2,0,1]=4 223 B12R2.27 OCC1OC1C2=CC=CC=C2 Z1509054538 [0,0,0,1,0,0|1,0,0]=2 224 B12R2.116 CC1(CNC1)C2=CC=CC=C2 Z2143576561 [0,0,0,1,0,0|3,0,0]=4 225 B12R2.116 NC1(CCC1)C2=CC=NC=C2 Z1198261773 [0,0,0,1,0,0|3,0,0]=4 226 B12R2.116 NC1(CCC1)C2=CN=CC=C2 Z3655397645 [0,0,0,1,0,0|3,0,0]=4 227 B12R2.116 OC1(CCC1)C2=CC=CC=C2 Z1198315122 [0,0,0,1,0,0|1,0,0]=2 228 B12R2.116 OC1(CNC1)C2=CN=CC=C2 Z3492926719 [0,0,0,1,0,0|3,0,0]=4 229 B12R2.116 OC1(CNC1)C2=NC=CC=C2 Z3921967489 [0,0,0,1,0,0|3,0,0]=4 230 B12R2.235 CC1(CC1N)C2=CC=CC=C2 Z1259335890 [0,0,0,1,0,0|2,0,0]=3 231 B12R2.1081 CC1CCNC2=C1C=CC=C2 Z382691338 [0,0,0,1,0,0|2,0,0]=3 232 B12R2.1081 CC1CNCC2=C1C=CC=C2 Z1741982189 [0,0,0,1,0,0|3,0,0]=4 233 B12R2.1081 CN1CCNC2=C1C=CC=C2 Z558641952 [0,0,0,1,0,0|3,0,0]=4 234 B12R2.1081 NC1CCCC2=C1C=CC=C2 Z316170348 [0,0,0,1,0,0|2,0,0]=3 235 B12R2.1081 NC1CCCC2=C1C=CN=C2 Z3244922506 [0,0,0,1,0,0|3,0,0]=4 236 B12R2.1081 NC1CCOC2=C1C=CC=C2 Z85923435 [0,0,0,1,0,0|2,0,0]=3 237 B12R2.1081 NC1CCSC2=C1C=CC=C2 Z57066684 [0,0,0,1,0,0|2,0,0]=3 238 B12R2.1081 NC1COCC2=C1C=CC=C2 Z1198178449 [0,0,0,1,0,0|3,0,0]=4 239 B12R2.1081 NC1CSCC2=C1C=CC=C2 Z1695783215 [0,0,0,1,0,0|3,0,0]=4 240 B12R2.1081 N[C@H]1CCOC2=C1C=CC=C2 Z1442208747 [0,0,0,1,0,0|2,0,0]=3 241 B12R2.1081 O=C1CCCC2=C1C=CC=C2 Z104477014 [0,0,0,1,0,0|1,0,2]=4 242 B12R2.1081 O=C1CCNC2=C1C=CC=C2 Z1492781321 [0,0,0,1,0,0|1,0,2]=4 243 B12R2.1081 O=C1CCOC2=C1C=CC=C2 Z85920466 [0,0,0,1,0,0|1,0,2]=4 244 B12R2.1081 O=C1CCSC2=C1C=CC=C2 Z56914832 [0,0,0,1,0,0|1,0,2]=4 245 B12R2.1081 O=S1CCNC2=C1C=CC=C2 Z217166136 [0,0,0,1,0,0|2,0,1]=4 246 B12R2.1081 OB1OCCC2=C1C=CC=C2 Z1201624582 [0,0,0,1,0,0|3,0,0]=4 247 B12R2.1081 OC1CCCC2=C1C=CC=C2 Z56899171 [0,0,0,1,0,0|1,0,0]=2 248 B12R2.1081 OC1CCCC2=C1C=CC=N2 Z1198156585 [0,0,0,1,0,0|2,0,0]=3 249 B12R2.1081 OC1CCCC2=C1C=NC=C2 Z1255398550 [0,0,0,1,0,0|2,0,0]=3 250 B12R2.1081 OC1CCNC2=C1C=CC=C2 Z1198723522 [0,0,0,1,0,0|1,0,0]=2 251 B12R2.1081 OC1CCOC2=C1C=CC=C2 Z335244980 [0,0,0,1,0,0|1,0,0]=2 252 B12R2.1081 OC1CCSC2=C1C=CC=C2 Z57085790 [0,0,0,1,0,0|1,0,0]=2 253 B12R2.1081 OC1COCC2=C1C=CC=C2 Z1255366473 [0,0,0,1,0,0|2,0,0]=3 254 B12R2.1081 OC1CSCC2=C1C=CC=C2 Z445987402 [0,0,0,1,0,0|2,0,0]=3 255 B12R2.1081 O[C@@H]1CCCC2=C1N=CC=C2 Z1255505566 [0,0,0,1,0,0|2,0,0]=3 256 B12R2.1081 O[C@@H]1CCOC2=C1C=CC=C2 Z959151866 [0,0,0,1,0,0|1,0,0]=2 257 B12R2.1081 O[C@@H]1CCSC2=C1C=CC=C2 Z959151622 [0,0,0,1,0,0|1,0,0]=2 258 B12R2.1081 O[C@H]1CCCC2=C1N=CC=C2 Z1216847007 [0,0,0,1,0,0|2,0,0]=3 259 B12R2.1081 O[C@H]1CCOC2=C1C=CC=C2 Z959151868 [0,0,0,1,0,0|1,0,0]=2 260 B12R2.1081 O[C@H]1CCSC2=C1C=CC=C2 Z959151626 [0,0,0,1,0,0|1,0,0]=2 261 B12R2.2028 CC1CC(=O)C2=C1C=CC=C2 Z335243948 [0,0,0,1,0,0|1,0,2]=4 262 B12R2.2028 CC1CC(C2=C1C=CC=C2)N Z1263529672 [0,0,0,1,0,0|2,0,0]=3 263 B12R2.2028 CC1OB(C2=C1C=CC=C2)O Z1939448686 [0,0,0,1,0,0|3,0,0]=4 264 B12R2.2028 C[C@@H]1N[C@H](C2=C1C=CC=C2)C Z3675010941 [0,0,0,1,0,0|3,0,0]=4 265 B12R2.2028 C[C@@H]1OB(C2=C1C=CC=C2)O Z5065219956 [0,0,0,1,0,0|3,0,0]=4 266 B12R2.2028 C[C@H]1OB(C2=C1C=CC=C2)O Z5777881779 [0,0,0,1,0,0|3,0,0]=4 267 B12R2.2028 N[C@@H]1C[C@@H](C2=C1C=CC=C2)O Z4591105168 [0,0,0,1,0,0|1,0,0]=2 268 B12R2.2028 O=C1OC(C2=C1C=CC=C2)O Z104507040 [0,0,0,1,0,0|2,0,1]=4 269 B12R2.2075 CC(C1=CC=CC=C1)C2CO2 Z1020679814 [0,0,0,1,0,0|2,0,0]=3 270 B12R2.2075 NC(C1=CC=CC=C1)C2CC2 Z203239488 [0,0,0,1,0,0|2,0,0]=3 271 B12R2.2075 OC(C1=NC=CC=N1)C2CC2 Z1233200988 [0,0,0,1,0,0|3,0,0]=4 272 B10R1.11 CCCC(O)C1=NC=CS1 Z1198723669 [0,0,0,0,1,0|3,0,0]=4 273 B10R1.11 N#CCC(O)C1=CC=CO1 Z1255358418 [0,0,0,0,1,0|2,0,1]=4 274 B10R1.11 NC(CCO)C1=CC=CS1 Z979743758 [0,0,0,0,1,0|3,0,0]=4 275 B12R1.32 CCCC(=O)CC1=CC=CC=C1 Z513733628 [0,0,0,0,0,1|1,0,2]=4 276 B12R1.32 CCCC(C)NC1=CC=CC=C1 Z334878280 [0,0,0,0,0,1|2,0,0]=3 277 B12R1.32 CCCC(N)CC1=CC=CC=C1 Z513795750 [0,0,0,0,0,1|2,0,0]=3 278 B12R1.32 CN(CCN)CC1=CC=CC=C1 Z285207092 [0,0,0,0,0,1|3,0,0]=4 279 B12R1.32 CN(CCO)CC1=CC=CC=C1 Z137706074 [0,0,0,0,0,1|3,0,0]=4 280 B12R1.32 CNCC(N)CC1=CC=CC=C1 Z756920442 [0,0,0,0,0,1|3,0,0]=4 281 B12R1.32 COCC(N)CC1=CC=CC=C1 Z825742276 [0,0,0,0,0,1|3,0,0]=4 282 B12R1.32 NC(CCO)CC1=CC=CC=C1 Z1992316427 [0,0,0,0,0,1|2,0,0]=3 283 B12R1.32 NCCC(=O)NC1=CC=CC=C1 Z241054028 [0,0,0,0,0,1|1,0,2]=4 284 B12R1.32 NCCS(=O)CC1=CC=CC=C1 Z802568488 [0,0,0,0,0,1|2,0,1]=4 285 B12R1.32 O=C(CCCl)NC1=CC=CC=C1 Z217707130 [0,0,0,0,0,1|0,0,2]=3 286 B9R1.6 CC(=O)C1=CC=CC=C1 Z57127548 [2,0,0,0,0,0|0,0,2]=4 287 B9R1.6 CC(C)C1=NC=CC=C1 Z1198148831 [2,0,0,0,0,0|2,0,0]=4 288 B9R1.6 CC(N)C1=CC=CC=C1 Z57102377 [2,0,0,0,0,0|1,0,0]=3 289 B9R1.6 CC(N)C1=CN=CC=C1 Z85921957 [2,0,0,0,0,0|2,0,0]=4 290 B9R1.6 CC(N)C1=NC=CC=C1 Z56347059 [2,0,0,0,0,0|2,0,0]=4 291 B9R1.6 CC(O)C1=CC=CC=C1 Z104494956 [2,0,0,0,0,0|0,0,0]=2 292 B9R1.6 CC(O)C1=CC=NC=C1 Z335245082 [2,0,0,0,0,0|1,0,0]=3 293 B9R1.6 CC(O)C1=CN=CC=C1 Z335245084 [2,0,0,0,0,0|1,0,0]=3 294 B9R1.6 CC(O)C1=NC=CC=C1 Z335244914 [2,0,0,0,0,0|1,0,0]=3 295 B9R1.6 CC(O)C1=NC=CN=C1 Z513751834 [2,0,0,0,0,0|2,0,0]=4 296 B9R1.6 CN(N)C1=CC=CC=C1 Z57985384 [2,0,0,0,0,0|2,0,0]=4 297 B9R1.6 C[C@@H](N)C1=CC=CC=C1 Z1079183182 [2,0,0,0,0,0|1,0,0]=3 298 B9R1.6 C[C@@H](N)C1=CC=NC=C1 Z1197994836 [2,0,0,0,0,0|2,0,0]=4 299 B9R1.6 C[C@@H](O)C1=CC=CC=C1 Z360055166 [2,0,0,0,0,0|0,0,0]=2 300 B9R1.6 C[C@H](N)C1=CC=CC=C1 Z1079131570 [2,0,0,0,0,0|1,0,0]=3 301 B9R1.6 C[C@H](N)C1=CC=NC=C1 Z1492781304 [2,0,0,0,0,0|2,0,0]=4 302 B9R1.6 C[C@H](O)C1=CC=CC=C1 Z360055168 [2,0,0,0,0,0|0,0,0]=2 303 B9R1.6 O=C(O)C1=CC=CC=C1 Z57127480 [2,0,0,0,0,0|1,0,1]=4 304 B9R1.6 OB(O)C1=CC=CC=C1 Z111782400 [2,0,0,0,0,0|2,0,0]=4 305 B9R1.8 CCCC1=CC=CC=C1 Z104479154 [2,0,0,0,0,0|0,0,0]=2 306 B9R1.8 CCCC1=NC=CC=C1 Z1255434741 [2,0,0,0,0,0|1,0,0]=3 307 B9R1.8 CCCC1=NN=CC=C1 Z1486025396 [2,0,0,0,0,0|2,0,0]=4 308 B9R1.8 CCNC1=CC=CC=C1 Z104472482 [2,0,0,0,0,0|1,0,0]=3 309 B9R1.8 CCNC1=CC=NC=C1 Z359297730 [2,0,0,0,0,0|2,0,0]=4 310 B9R1.8 CCNC1=CN=CC=C1 Z334882416 [2,0,0,0,0,0|2,0,0]=4 311 B9R1.8 CCSC1=CC=NC=C1 Z1376454759 [2,0,0,0,0,0|2,0,0]=4 312 B9R1.8 CNCC1=CC=NC=C1 Z57390007 [2,0,0,0,0,0|2,0,0]=4 313 B9R1.8 CNCC1=CN=CC=C1 Z56963341 [2,0,0,0,0,0|2,0,0]=4 314 B9R1.8 CSCC1=CN=CC=C1 Z599631354 [2,0,0,0,0,0|2,0,0]=4 315 B9R1.8 NCCC1=CC=NC=C1 Z241056520 [2,0,0,0,0,0|2,0,0]=4 316 B9R1.8 NCCC1=CN=CC=C1 Z241056524 [2,0,0,0,0,0|2,0,0]=4 317 B9R1.8 NCCC1=NC=CC=C1 Z104478200 [2,0,0,0,0,0|2,0,0]=4 318 B9R1.8 NNCC1=CC=CC=C1 Z56969306 [2,0,0,0,0,0|2,0,0]=4 319 B9R1.8 NOCC1=CC=CC=C1 Z90668722 [2,0,0,0,0,0|2,0,0]=4 320 B9R1.8 O=CCC1=CC=CC=C1 Z104472146 [2,0,0,0,0,0|1,0,1]=4 321 B9R1.8 OCCC1=CC=CC=C1 Z104473586 [2,0,0,0,0,0|1,0,0]=3 322 B9R1.8 OCCC1=CN=CC=C1 Z992949518 [2,0,0,0,0,0|2,0,0]=4 323 B9R1.8 OCCC1=NC=CC=C1 Z104473592 [2,0,0,0,0,0|2,0,0]=4 324 B11R1.7 CC(C)(CN)C1=CC=CC=C1 Z291234238 [1,1,0,0,0,0|2,0,0]=4 325 B11R1.7 CC(C)(CO)C1=CC=CC=C1 Z397587218 [1,1,0,0,0,0|2,0,0]=4 326 B11R1.7 CC(F)(CN)C1=CC=CC=C1 Z2768234774 [1,1,0,0,0,0|2,0,0]=4 327 B11R1.7 CC(N)(CO)C1=CC=CC=C1 Z734150992 [1,1,0,0,0,0|2,0,0]=4 328 B11R1.7 CC(O)(CN)C1=CC=CC=C1 Z979721628 [1,1,0,0,0,0|1,0,0]=3 329 B11R1.7 CCC(C)(N)C1=CC=CC=C1 Z449373366 [1,1,0,0,0,0|1,0,0]=3 330 B11R1.7 CCC(C)(O)C1=CC=CC=C1 Z449373348 [1,1,0,0,0,0|0,0,0]=2 331 B11R1.7 CNC(C)(C)C1=CC=CC=C1 Z991114970 [1,1,0,0,0,0|2,0,0]=4 332 B11R1.7 NCC(F)(F)C1=CC=CC=C1 Z2168499583 [1,1,0,0,0,0|2,0,0]=4 333 B11R1.7 O=S(=O)(CCl)C1=CC=CC=C1 Z203881850 [1,1,0,0,0,0|1,0,1]=4 334 B11R1.12 CCC(C=O)C1=CC=CC=C1 Z1079132778 [1,1,0,0,0,0|0,0,1]=3 335 B11R1.12 CCC(CC)C1=CC=NC=C1 Z104493650 [1,1,0,0,0,0|2,0,0]=4 336 B11R1.12 CCC(CN)C1=CC=CC=C1 Z85956799 [1,1,0,0,0,0|1,0,0]=3 337 B11R1.12 CCC(CO)C1=CC=CC=C1 Z397587442 [1,1,0,0,0,0|0,0,0]=2 338 B11R1.12 CCC(NC)C1=CC=NC=C1 Z513800486 [1,1,0,0,0,0|2,0,0]=4 339 B11R1.12 CCN(C#N)C1=CC=CC=C1 Z1374910132 [1,1,0,0,0,0|2,0,0]=4 340 B11R1.12 CCN(CC)C1=CC=CC=C1 Z57770738 [1,1,0,0,0,0|2,0,0]=4 341 B11R1.12 CNC(CO)C1=CC=CC=C1 Z734147276 [1,1,0,0,0,0|1,0,0]=3 342 B11R1.12 COC(CN)C1=CC=CC=C1 Z285139084 [1,1,0,0,0,0|1,0,0]=3 343 B11R1.12 NCC(CO)C1=CC=CC=C1 Z1198168251 [1,1,0,0,0,0|1,0,0]=3 344 B11R1.12 OCC(CO)C1=CC=CC=C1 Z1255395467 [1,1,0,0,0,0|1,0,0]=3 345 B11R1.22 CC(CN)C1=CC=C(C=C1)Br Z2906280360 [1,1,0,0,0,0|2,0,0]=4 346 B11R1.22 CC(CN)C1=CC=C(C=C1)F Z415654954 [1,1,0,0,0,0|2,0,0]=4 347 B11R1.22 CC(CO)C1=CC=C(C=C1)F Z1255440783 [1,1,0,0,0,0|2,0,0]=4 348 B11R1.22 CC1=CC=C(C=C1)C(=O)CCl Z56886309 [1,1,0,0,0,0|0,0,2]=4 349 B11R1.22 CC1=CC=C(C=C1)C(C)CN Z415654970 [1,1,0,0,0,0|2,0,0]=4 350 B11R1.22 CC1=CC=C(C=C1)C(N)CF Z2474474695 [1,1,0,0,0,0|1,1,0]=4 351 B11R1.22 CC1=CC=C(C=C1)C(N)CO Z5087131901 [1,1,0,0,0,0|2,0,0]=4 352 B11R1.22 CC1=CC=C(C=C1)C(O)CN Z336086536 [1,1,0,0,0,0|1,0,0]=3 353 B11R1.22 CC1=CC=C(C=C1)[C@@H](O)CN Z1895741843 [1,1,0,0,0,0|1,0,0]=3 354 B11R1.22 CCC(=O)C1=CC=C(C=C1)Br Z104485724 [1,1,0,0,0,0|0,0,2]=4 355 B11R1.22 CCC(=O)C1=CC=C(C=C1)Cl Z104477486 [1,1,0,0,0,0|0,0,2]=4 356 B11R1.22 CCC(=O)C1=CC=C(C=C1)F Z104477898 [1,1,0,0,0,0|0,0,2]=4 357 B11R1.22 CCC(=O)C1=CC=C(C=C1)I Z285137052 [1,1,0,0,0,0|0,0,2]=4 358 B11R1.22 CCC(=O)C1=CC=C(C=C1)N Z1203578051 [1,1,0,0,0,0|0,0,2]=4 359 B11R1.22 CCC(=O)C1=CC=C(C=C1)O Z104499156 [1,1,0,0,0,0|0,0,2]=4 360 B11R1.22 CCC(C)C1=CC=C(C=C1)O Z104484172 [1,1,0,0,0,0|1,0,0]=3 361 B11R1.22 CCC(N)C1=CC=C(C=C1)Br Z90662172 [1,1,0,0,0,0|1,0,0]=3 362 B11R1.22 CCC(N)C1=CC=C(C=C1)C Z90662186 [1,1,0,0,0,0|1,0,0]=3 363 B11R1.22 CCC(N)C1=CC=C(C=C1)Cl Z221421644 [1,1,0,0,0,0|1,0,0]=3 364 B11R1.22 CCC(O)C1=CC=C(C=C1)C Z228586316 [1,1,0,0,0,0|0,0,0]=2 365 B11R1.22 CCC(O)C1=CC=C(C=C1)Cl Z228586168 [1,1,0,0,0,0|0,0,0]=2 366 B11R1.22 CCC(O)C1=CC=C(C=C1)F Z228586174 [1,1,0,0,0,0|0,0,0]=2 367 B11R1.22 CCC(O)C1=CC=C(C=C1)O Z228586170 [1,1,0,0,0,0|0,0,0]=2 368 B11R1.22 CCC(O)C1=NC=C(C=C1)F Z1341678257 [1,1,0,0,0,0|1,0,0]=3 369 B11R1.22 CCS(=O)C1=CC=C(C=C1)F Z1154828228 [1,1,0,0,0,0|1,0,1]=4 370 B11R1.22 CC[C@@H](N)C1=CC=C(C=C1)F Z1626921240 [1,1,0,0,0,0|1,0,0]=3 371 B11R1.22 CC[C@H](N)C1=CC=C(C=C1)F Z1625822291 [1,1,0,0,0,0|1,0,0]=3 372 B11R1.22 CNC(C)C1=CC=C(C=C1)C Z239628686 [1,1,0,0,0,0|2,0,0]=4 373 B11R1.22 CNC(C)C1=CC=C(C=C1)Cl Z159528172 [1,1,0,0,0,0|2,0,0]=4 374 B11R1.22 CNC(C)C1=CC=C(C=C1)F Z166605480 [1,1,0,0,0,0|2,0,0]=4 375 B11R1.22 CNC(C)C1=CC=C(C=C1)O Z316170374 [1,1,0,0,0,0|2,0,0]=4 376 B11R1.22 NC(CF)C1=CC=C(C=C1)Cl Z1510155807 [1,1,0,0,0,0|1,1,0]=4 377 B11R1.22 NC(CO)C1=CC=C(C=C1)Br Z2188171600 [1,1,0,0,0,0|2,0,0]=4 378 B11R1.22 NC(CO)C1=CC=C(C=C1)F Z1268152327 [1,1,0,0,0,0|2,0,0]=4 379 B11R1.22 NCC(O)C1=CC=C(C=C1)Cl Z295878600 [1,1,0,0,0,0|1,0,0]=3 380 B11R1.22 O=C(CCl)C1=CC=C(C=C1)Br Z56886257 [1,1,0,0,0,0|0,0,2]=4 381 B11R1.22 O=C(CCl)C1=CC=C(C=C1)Cl Z104477840 [1,1,0,0,0,0|0,0,2]=4 382 B11R1.22 O=C(CCl)C1=CC=C(C=C1)F Z104478978 [1,1,0,0,0,0|0,0,2]=4 383 B11R1.22 O=C(CCl)C1=CC=C(C=C1)I Z57046985 [1,1,0,0,0,0|0,0,2]=4 384 B11R1.22 O=C(CCl)C1=CC=C(C=C1)O Z104378296 [1,1,0,0,0,0|0,0,2]=4 385 B11R1.23 CC(CN)C1=CC(=CC=C1)Br Z5094147873 [1,1,0,0,0,0|2,0,0]=4 386 B11R1.23 CC(CN)C1=CC(=CC=C1)F Z415654914 [1,1,0,0,0,0|2,0,0]=4 387 B11R1.23 CC(CO)C1=CC(=CC=C1)Br Z1269177166 [1,1,0,0,0,0|2,0,0]=4 388 B11R1.23 CC(CO)C1=CC(=CC=C1)Cl Z1222424631 [1,1,0,0,0,0|2,0,0]=4 389 B11R1.23 CC1=CC(=CC=C1)C(O)CN Z336086464 [1,1,0,0,0,0|1,0,0]=3 390 B11R1.23 CCC(=O)C1=CC(=CC=C1)Br Z104486266 [1,1,0,0,0,0|0,0,2]=4 391 B11R1.23 CCC(=O)C1=CC(=CC=C1)Cl Z104477758 [1,1,0,0,0,0|0,0,2]=4 392 B11R1.23 CCC(=O)C1=CC(=CC=C1)N Z1203578334 [1,1,0,0,0,0|0,0,2]=4 393 B11R1.23 CCC(N)C1=CC(=CC=C1)Cl Z239627026 [1,1,0,0,0,0|1,0,0]=3 394 B11R1.23 CCC(N)C1=CC(=CC=C1)O Z4164634595 [1,1,0,0,0,0|1,0,0]=3 395 B11R1.23 CCC(N)C1=NC(=CC=C1)C Z4457910024 [1,1,0,0,0,0|2,0,0]=4 396 B11R1.23 CCC(O)C1=CC(=CC=C1)Br Z228586280 [1,1,0,0,0,0|0,0,0]=2 397 B11R1.23 CCC(O)C1=CC(=CC=C1)Cl Z335245132 [1,1,0,0,0,0|0,0,0]=2 398 B11R1.23 CCC(O)C1=CC(=CC=C1)N Z1262626036 [1,1,0,0,0,0|0,0,0]=2 399 B11R1.23 CNC(C)C1=CC(=CC=C1)Cl Z159528162 [1,1,0,0,0,0|2,0,0]=4 400 B11R1.23 CNC(C)C1=CC(=CC=C1)O Z1266854844 [1,1,0,0,0,0|2,0,0]=4 401 B11R1.23 COC(C)C1=CC(=CC=C1)N Z801781454 [1,1,0,0,0,0|2,0,0]=4 402 B11R1.23 CSC(C)C1=CC(=CC=C1)N Z801781922 [1,1,0,0,0,0|2,0,0]=4 403 B11R1.23 NC(CF)C1=CC(=CC=C1)Br Z3210128314 [1,1,0,0,0,0|1,1,0]=4 404 B11R1.23 NC(CF)C1=CC(=CC=C1)Cl Z3445798142 [1,1,0,0,0,0|1,1,0]=4 405 B11R1.23 NC(CF)C1=CC(=CC=C1)F Z3681214901 [1,1,0,0,0,0|1,1,0]=4 406 B11R1.23 NC(CO)C1=CC(=CC=C1)Br Z1438483917 [1,1,0,0,0,0|2,0,0]=4 407 B11R1.23 NC(CO)C1=CC(=CC=C1)Cl Z1695784092 [1,1,0,0,0,0|2,0,0]=4 408 B11R1.23 NC(CO)C1=CC(=CC=C1)F Z1268152384 [1,1,0,0,0,0|2,0,0]=4 409 B11R1.23 NC(CO)C1=CC(=CC=C1)I Z3605387233 [1,1,0,0,0,0|2,0,0]=4 410 B11R1.23 NC(CO)C1=CC(=CC=C1)O Z3247611804 [1,1,0,0,0,0|2,0,0]=4 411 B11R1.23 NC1=CC(=CC=C1)C(O)CO Z970072128 [1,1,0,0,0,0|1,0,0]=3 412 B11R1.23 NCC(O)C1=CC(=CC=C1)Cl Z330910384 [1,1,0,0,0,0|1,0,0]=3 413 B11R1.23 NCC(O)C1=CC(=CC=C1)O Z3041501762 [1,1,0,0,0,0|1,0,0]=3 414 B11R1.36 CC(=O)C(C)C1=CC=CC=C1 Z1255383314 [1,1,0,0,0,0|1,0,1]=4 415 B11R1.36 CC(=O)C(N)C1=CC=CC=C1 Z3234810419 [1,1,0,0,0,0|1,0,1]=4 416 B11R1.36 CC(C)C(N)C1=CC=NC=C1 Z513796098 [1,1,0,0,0,0|2,0,0]=4 417 B11R1.36 CC(C)C(N)C1=NC=CC=C1 Z513795924 [1,1,0,0,0,0|2,0,0]=4 418 B11R1.36 CC(C)C(O)C1=NC=CC=C1 Z513749462 [1,1,0,0,0,0|1,0,0]=3 419 B11R1.36 CC(Cl)C(=O)C1=CC=CC=C1 Z199509008 [1,1,0,0,0,0|0,0,2]=4 420 B11R1.36 CC(N)C(C)C1=CC=CC=C1 Z1203578901 [1,1,0,0,0,0|1,0,0]=3 421 B11R1.36 CC(N)C(O)C1=CC=NC=C1 Z1263602353 [1,1,0,0,0,0|1,0,0]=3 422 B11R1.36 CC(O)C(N)C1=CC=CC=C1 Z2588063686 [1,1,0,0,0,0|1,0,0]=3 423 B11R1.36 NC(C1=CC=CC=C1)C(F)F Z2211231766 [1,1,0,0,0,0|1,1,0]=4 424 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 Z104473974 [1,1,0,0,0,0|1,0,1]=4 425 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 Z1201618616 [1,1,0,0,0,0|1,0,1]=4 426 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 Z1255390767 [1,1,0,0,0,0|1,0,1]=4 427 B11R1.222 CC1=C(C=CC=C1)C(N)CF Z3092528504 [1,1,0,0,0,0|1,1,0]=4 428 B11R1.222 CC1=C(C=CC=C1)C(N)CO Z385458414 [1,1,0,0,0,0|2,0,0]=4 429 B11R1.222 CC1=C(C=CC=C1)C(O)CN Z336086534 [1,1,0,0,0,0|1,0,0]=3 430 B11R1.222 CCC(=O)C1=C(C=CC=C1)Br Z851790216 [1,1,0,0,0,0|0,0,2]=4 431 B11R1.222 CCC(=O)C1=C(C=CC=C1)N Z1201617664 [1,1,0,0,0,0|0,0,2]=4 432 B11R1.222 CCC(N)C1=C(C=CC=C1)Br Z851790482 [1,1,0,0,0,0|1,0,0]=3 433 B11R1.222 CCC(N)C1=C(C=CC=C1)O Z1266854970 [1,1,0,0,0,0|1,0,0]=3 434 B11R1.222 CCN(C)C1=C(C=CC=C1)N Z409023630 [1,1,0,0,0,0|2,0,0]=4 435 B11R1.222 CCS(=O)C1=C(C=CC=C1)N Z808592520 [1,1,0,0,0,0|1,0,1]=4 436 B11R1.222 CNC(C)C1=C(C=CC=C1)Br Z1497158706 [1,1,0,0,0,0|2,0,0]=4 437 B11R1.222 CNC(C)C1=C(C=CC=C1)C Z159528196 [1,1,0,0,0,0|2,0,0]=4 438 B11R1.222 CNC(C)C1=C(C=CC=C1)Cl Z138106016 [1,1,0,0,0,0|2,0,0]=4 439 B11R1.222 CNC(C)C1=C(C=CC=C1)O Z316170358 [1,1,0,0,0,0|2,0,0]=4 440 B11R1.222 NC(CF)C1=C(C=CC=C1)Br Z4444282330 [1,1,0,0,0,0|1,1,0]=4 441 B11R1.222 NC(CO)C1=C(C=CC=C1)F Z1268152413 [1,1,0,0,0,0|2,0,0]=4 442 B11R1.222 NC(CO)C1=C(C=CC=C1)I Z2941400807 [1,1,0,0,0,0|2,0,0]=4 443 B11R1.222 NCC(O)C1=C(C=CC=C1)Cl Z1255523275 [1,1,0,0,0,0|1,0,0]=3 444 B11R1.222 O=C(CCl)C1=C(C=CC=C1)F Z854066970 [1,1,0,0,0,0|0,0,2]=4 445 B11R1.1 BrCCOC1=CC=C(C=C1)Br Z56887702 [1,1,0,0,0,0|1,1,0]=4 446 B11R1.1 CC1=CC=C(C=C1)CCCN Z4639316723 [1,1,0,0,0,0|1,0,0]=3 447 B11R1.1 CC1=CC=C(C=C1)OCCBr Z56886357 [1,1,0,0,0,0|1,1,0]=4 448 B11R1.1 CC1=CC=C(C=C1)OCCN Z54747869 [1,1,0,0,0,0|2,0,0]=4 449 B11R1.1 CC1=CC=C(C=C1)SCCCl Z90122598 [1,1,0,0,0,0|1,0,0]=3 450 B11R1.1 CC1=CC=C(C=C1)SCCO Z149178580 [1,1,0,0,0,0|2,0,0]=4 451 B11R1.1 CCCCC1=CC=C(C=C1)N Z104475500 [1,1,0,0,0,0|1,0,0]=3 452 B11R1.1 CCCNC1=CC=C(C=C1)Cl Z1266933829 [1,1,0,0,0,0|2,0,0]=4 453 B11R1.1 CCCOC1=CC=C(C=C1)N Z239604724 [1,1,0,0,0,0|2,0,0]=4 454 B11R1.1 CCNCC1=CC=C(C=C1)F Z3244655509 [1,1,0,0,0,0|2,0,0]=4 455 B11R1.1 CCOCC1=CC=C(C=C1)Br Z823854370 [1,1,0,0,0,0|2,0,0]=4 456 B11R1.1 CCOCC1=CC=C(C=C1)N Z240084570 [1,1,0,0,0,0|2,0,0]=4 457 B11R1.1 CCSCC1=CC=C(C=C1)N Z332378208 [1,1,0,0,0,0|2,0,0]=4 458 B11R1.1 CNCCC1=CC=C(C=C1)Br Z385447024 [1,1,0,0,0,0|2,0,0]=4 459 B11R1.1 CNCCC1=CC=C(C=C1)C Z5115849578 [1,1,0,0,0,0|2,0,0]=4 460 B11R1.1 CNCCC1=CC=C(C=C1)Cl Z1623872266 [1,1,0,0,0,0|2,0,0]=4 461 B11R1.1 CNCCC1=CC=C(C=C1)F Z138454998 [1,1,0,0,0,0|2,0,0]=4 462 B11R1.1 COCCC1=CC=C(C=C1)Br Z299596190 [1,1,0,0,0,0|2,0,0]=4 463 B11R1.1 COCCC1=CC=C(C=C1)Cl Z1470894103 [1,1,0,0,0,0|2,0,0]=4 464 B11R1.1 COCCC1=CC=C(C=C1)O Z104485614 [1,1,0,0,0,0|2,0,0]=4 465 B11R1.1 CSCCC1=CC=C(C=C1)N Z732207426 [1,1,0,0,0,0|2,0,0]=4 466 B11R1.1 ClC1=CC=C(C=C1)OCCBr Z56926557 [1,1,0,0,0,0|1,1,0]=4 467 B11R1.1 ClCCSC1=CC=C(C=C1)Cl Z55993025 [1,1,0,0,0,0|1,0,0]=3 468 B11R1.1 FCCOC1=CC=C(C=C1)Br Z1269166672 [1,1,0,0,0,0|1,1,0]=4 469 B11R1.1 N#CCCC1=CC=C(C=C1)N Z4750298565 [1,1,0,0,0,0|1,0,1]=4 470 B11R1.1 NC1=CC=C(C=C1)OCCF Z1262631146 [1,1,0,0,0,0|1,1,0]=4 471 B11R1.1 NC1=CC=C(C=C1)OCCO Z332379386 [1,1,0,0,0,0|2,0,0]=4 472 B11R1.1 NCCCC1=CC=C(C=C1)Br Z3980240042 [1,1,0,0,0,0|1,0,0]=3 473 B11R1.1 NCCCC1=CC=C(C=C1)Cl Z992716848 [1,1,0,0,0,0|1,0,0]=3 474 B11R1.1 NCCCC1=CC=C(C=C1)F Z3244753845 [1,1,0,0,0,0|1,0,0]=3 475 B11R1.1 NCCCC1=CC=C(C=C1)N Z5453008768 [1,1,0,0,0,0|1,0,0]=3 476 B11R1.1 NCCCC1=CC=C(C=C1)O Z1270210797 [1,1,0,0,0,0|1,0,0]=3 477 B11R1.1 NCCNC1=CC=C(C=C1)O Z3386315806 [1,1,0,0,0,0|2,0,0]=4 478 B11R1.1 NCCOC1=CC=C(C=C1)Br Z1262237188 [1,1,0,0,0,0|2,0,0]=4 479 B11R1.1 NCCOC1=CC=C(C=C1)Cl Z85957193 [1,1,0,0,0,0|2,0,0]=4 480 B11R1.1 NCCOC1=CC=C(C=C1)F Z87000937 [1,1,0,0,0,0|2,0,0]=4 481 B11R1.1 NCCOC1=CC=C(C=C1)I Z381428104 [1,1,0,0,0,0|2,0,0]=4 482 B11R1.1 NCCSC1=CC=C(C=C1)Br Z262221984 [1,1,0,0,0,0|2,0,0]=4 483 B11R1.1 NCCSC1=CC=C(C=C1)Cl Z54751093 [1,1,0,0,0,0|2,0,0]=4 484 B11R1.1 NCCSC1=CC=C(C=C1)F Z1267773811 [1,1,0,0,0,0|2,0,0]=4 485 B11R1.1 O=CCCC1=CC=C(C=C1)Br Z993017756 [1,1,0,0,0,0|1,0,1]=4 486 B11R1.1 O=CCCC1=CC=C(C=C1)Cl Z993017742 [1,1,0,0,0,0|1,0,1]=4 487 B11R1.1 O=CCCC1=CC=C(C=C1)F Z993017748 [1,1,0,0,0,0|1,0,1]=4 488 B11R1.1 OCCCC1=CC=C(C=C1)F Z992949550 [1,1,0,0,0,0|1,0,0]=3 489 B11R1.1 OCCNC1=CC=C(C=C1)Br Z335275406 [1,1,0,0,0,0|2,0,0]=4 490 B11R1.1 OCCOC1=CC=C(C=C1)Br Z335092354 [1,1,0,0,0,0|2,0,0]=4 491 B11R1.1 OCCOC1=CC=C(C=C1)O Z381414946 [1,1,0,0,0,0|2,0,0]=4 492 B11R1.1 OCCSC1=CC=C(C=C1)Br Z149190682 [1,1,0,0,0,0|2,0,0]=4 493 B11R1.1 OCCSC1=CC=C(C=C1)Cl Z149162370 [1,1,0,0,0,0|2,0,0]=4 494 B11R1.17 CC1=C(C=CC=C1)CCCN Z424782962 [1,1,0,0,0,0|1,0,0]=3 495 B11R1.17 CC1=C(C=CC=C1)CCCO Z979436644 [1,1,0,0,0,0|1,0,0]=3 496 B11R1.17 CC1=C(C=CC=C1)OCCN Z223656356 [1,1,0,0,0,0|2,0,0]=4 497 B11R1.17 CC1=C(N=CC=C1)CCCN Z1198262715 [1,1,0,0,0,0|2,0,0]=4 498 B11R1.17 CCCNC1=C(C=CC=C1)F Z334942896 [1,1,0,0,0,0|2,0,0]=4 499 B11R1.17 CCCNC1=C(C=CC=C1)N Z94601320 [1,1,0,0,0,0|2,0,0]=4 500 B11R1.17 CCCOC1=C(C=CC=C1)Br Z54722000 [1,1,0,0,0,0|2,0,0]=4 501 B11R1.17 CCCOC1=C(C=CC=C1)N Z56968930 [1,1,0,0,0,0|2,0,0]=4 502 B11R1.17 CCCOC1=C(C=CC=C1)O Z55993120 [1,1,0,0,0,0|2,0,0]=4 503 B11R1.17 CCNCC1=C(C=CC=C1)Br Z1982494002 [1,1,0,0,0,0|2,0,0]=4 504 B11R1.17 CCNCC1=C(C=CC=C1)C Z90513218 [1,1,0,0,0,0|2,0,0]=4 505 B11R1.17 CCNCC1=C(C=CC=C1)Cl Z90513164 [1,1,0,0,0,0|2,0,0]=4 506 B11R1.17 CCNCC1=C(C=CC=C1)F Z286282968 [1,1,0,0,0,0|2,0,0]=4 507 B11R1.17 CCNCC1=C(C=CC=C1)N Z2351947311 [1,1,0,0,0,0|2,0,0]=4 508 B11R1.17 CCOCC1=C(C=CC=C1)N Z285163822 [1,1,0,0,0,0|2,0,0]=4 509 B11R1.17 CNCCC1=C(C=CC=C1)C Z2234185664 [1,1,0,0,0,0|2,0,0]=4 510 B11R1.17 CNCCC1=C(C=CC=C1)Cl Z4935566656 [1,1,0,0,0,0|2,0,0]=4 511 B11R1.17 CNCCC1=C(C=CC=C1)F Z163192604 [1,1,0,0,0,0|2,0,0]=4 512 B11R1.17 CNCCC1=C(C=CC=C1)O Z1665033474 [1,1,0,0,0,0|2,0,0]=4 513 B11R1.17 COCCC1=C(C=CC=C1)N Z992259832 [1,1,0,0,0,0|2,0,0]=4 514 B11R1.17 ClC1=C(C=CC=C1)OCCBr Z56886267 [1,1,0,0,0,0|1,1,0]=4 515 B11R1.17 N#CCCC1=C(C=CC=C1)Br Z815260584 [1,1,0,0,0,0|1,0,1]=4 516 B11R1.17 NC1=C(C=CC=C1)CCCO Z1198265858 [1,1,0,0,0,0|1,0,0]=3 517 B11R1.17 NC1=C(C=CC=C1)NCCO Z55928991 [1,1,0,0,0,0|2,0,0]=4 518 B11R1.17 NC1=C(C=CC=C1)OCCO Z3445703033 [1,1,0,0,0,0|2,0,0]=4 519 B11R1.17 NCCCC1=C(C=CC=C1)Cl Z1695729033 [1,1,0,0,0,0|1,0,0]=3 520 B11R1.17 NCCCC1=C(C=CC=C1)F Z424783030 [1,1,0,0,0,0|1,0,0]=3 521 B11R1.17 NCCCN1C=CC=CC1=O Z271005712 [1,1,0,0,0,0|2,0,0]=4 522 B11R1.17 NCCNC1=C(C=CC=C1)N Z991530054 [1,1,0,0,0,0|2,0,0]=4 523 B11R1.17 NCCOC1=C(C=CC=C1)Br Z803145324 [1,1,0,0,0,0|2,0,0]=4 524 B11R1.17 NCCOC1=C(C=CC=C1)Cl Z54747867 [1,1,0,0,0,0|2,0,0]=4 525 B11R1.17 NCCOC1=C(C=CC=C1)F Z1272739857 [1,1,0,0,0,0|2,0,0]=4 526 B11R1.17 NCCOC1=C(C=CC=C1)O Z3217405430 [1,1,0,0,0,0|2,0,0]=4 527 B11R1.17 NCCSC1=C(C=CC=C1)F Z57971449 [1,1,0,0,0,0|2,0,0]=4 528 B11R1.17 NNCCC1=C(C=CC=C1)F Z285144176 [1,1,0,0,0,0|2,0,0]=4 529 B11R1.17 O=C1C=CC=CN1CCCO Z425794816 [1,1,0,0,0,0|2,0,0]=4 530 B11R1.17 O=CCCC1=C(C=CC=C1)F Z993017602 [1,1,0,0,0,0|1,0,1]=4 531 B11R1.17 OCCCC1=C(C=CC=C1)Br Z992949552 [1,1,0,0,0,0|1,0,0]=3 532 B11R1.17 OCCOC1=C(C=CC=C1)Br Z149303034 [1,1,0,0,0,0|2,0,0]=4 533 B11R1.17 OCCOC1=C(C=CC=C1)F Z425795714 [1,1,0,0,0,0|2,0,0]=4 534 B11R1.17 OCCOC1=C(C=CC=C1)O Z56755902 [1,1,0,0,0,0|2,0,0]=4 535 B11R1.17 OCCSC1=C(C=CC=C1)Br Z149386602 [1,1,0,0,0,0|2,0,0]=4 536 B11R1.17 OCCSC1=C(C=CC=C1)Cl Z149174540 [1,1,0,0,0,0|2,0,0]=4 537 B11R1.24 BrCCOC1=CC(=CC=C1)Br Z56886268 [1,1,0,0,0,0|1,1,0]=4 538 B11R1.24 C=CCCC1=CC=CC(=C1)Br Z1269162615 [1,1,0,0,0,0|1,0,1]=4 539 B11R1.24 CC1=CC(=CC=C1)CCCN Z4993130622 [1,1,0,0,0,0|1,0,0]=3 540 B11R1.24 CC1=CC(=CC=C1)CCCO Z979436642 [1,1,0,0,0,0|1,0,0]=3 541 B11R1.24 CC1=CC(=CC=C1)OCCBr Z56886266 [1,1,0,0,0,0|1,1,0]=4 542 B11R1.24 CC1=CC(=CC=C1)OCCN Z85926240 [1,1,0,0,0,0|2,0,0]=4 543 B11R1.24 CC1=CC(=CN=C1)CCCO Z1216820424 [1,1,0,0,0,0|2,0,0]=4 544 B11R1.24 CC1=NC(=CC=C1)CCCO Z104479712 [1,1,0,0,0,0|2,0,0]=4 545 B11R1.24 CCCOC1=CC(=CC=C1)Br Z54848718 [1,1,0,0,0,0|2,0,0]=4 546 B11R1.24 CCCOC1=CC(=CC=C1)N Z239604770 [1,1,0,0,0,0|2,0,0]=4 547 B11R1.24 CCCOC1=CC(=CC=C1)O Z381415572 [1,1,0,0,0,0|2,0,0]=4 548 B11R1.24 CCNCC1=CC(=CC=C1)Br Z1138763375 [1,1,0,0,0,0|2,0,0]=4 549 B11R1.24 CCNCC1=CC(=CC=C1)C Z90513252 [1,1,0,0,0,0|2,0,0]=4 550 B11R1.24 CCNCC1=CC(=CC=C1)Cl Z90513201 [1,1,0,0,0,0|2,0,0]=4 551 B11R1.24 CCNCC1=CC(=CC=C1)F Z85935746 [1,1,0,0,0,0|2,0,0]=4 552 B11R1.24 CCOCC1=CC(=CC=C1)N Z285163820 [1,1,0,0,0,0|2,0,0]=4 553 B11R1.24 CCSCC1=CC(=CC=C1)N Z332378038 [1,1,0,0,0,0|2,0,0]=4 554 B11R1.24 CNCCC1=CC(=CC=C1)Br Z2168282744 [1,1,0,0,0,0|2,0,0]=4 555 B11R1.24 CNCCC1=CC(=CC=C1)O Z4924737523 [1,1,0,0,0,0|2,0,0]=4 556 B11R1.24 COCCC1=CC(=CC=C1)O Z1513911027 [1,1,0,0,0,0|2,0,0]=4 557 B11R1.24 NC1=CC(=CC=C1)CCCO Z1198265859 [1,1,0,0,0,0|1,0,0]=3 558 B11R1.24 NC1=CC(=CC=C1)OCCF Z1262657442 [1,1,0,0,0,0|1,1,0]=4 559 B11R1.24 NCCCC1=CC(=CC=C1)Br Z1266823414 [1,1,0,0,0,0|1,0,0]=3 560 B11R1.24 NCCCC1=CC(=CC=C1)Cl Z1262246154 [1,1,0,0,0,0|1,0,0]=3 561 B11R1.24 NCCCC1=CC(=CC=C1)F Z424782946 [1,1,0,0,0,0|1,0,0]=3 562 B11R1.24 NCCCC1=CC(=CC=C1)O Z1895582955 [1,1,0,0,0,0|1,0,0]=3 563 B11R1.24 NCCCC1=CC(=CN=C1)F Z4446765955 [1,1,0,0,0,0|2,0,0]=4 564 B11R1.24 NCCOC1=CC(=CC=C1)Br Z744843646 [1,1,0,0,0,0|2,0,0]=4 565 B11R1.24 NCCOC1=CC(=CC=C1)Cl Z425484860 [1,1,0,0,0,0|2,0,0]=4 566 B11R1.24 NCCOC1=CC(=CC=C1)F Z381785786 [1,1,0,0,0,0|2,0,0]=4 567 B11R1.24 O=CCCC1=CC=CC(=C1)Cl Z993017744 [1,1,0,0,0,0|1,0,1]=4 568 B11R1.24 O=CCCC1=CC=CC(=C1)F Z993017622 [1,1,0,0,0,0|1,0,1]=4 569 B11R1.24 OCCNC1=CC(=CC=C1)F Z335274246 [1,1,0,0,0,0|2,0,0]=4 570 B11R1.24 OCCOC1=CC(=CC=C1)Br Z335092356 [1,1,0,0,0,0|2,0,0]=4 571 B11R1.24 OCCOC1=CC(=CC=C1)Cl Z149166432 [1,1,0,0,0,0|2,0,0]=4 572 B11R1.28 BrCCCOC1=CC=CC=C1 Z90122132 [1,1,0,0,0,0|0,1,0]=3 573 B11R1.28 C#CCCOC1=CC=CC=C1 Z1143222703 [1,1,0,0,0,0|1,0,1]=4 574 B11R1.28 C#CCNCC1=CC=CC=C1 Z2082999436 [1,1,0,0,0,0|1,0,1]=4 575 B11R1.28 C=CCNCC1=CC=CC=C1 Z86135577 [1,1,0,0,0,0|1,0,1]=4 576 B11R1.28 CCCCCC1=CC=CC=C1 Z199507042 [1,1,0,0,0,0|1,0,0]=3 577 B11R1.28 CCCCNC1=CC=NC=C1 Z359299136 [1,1,0,0,0,0|2,0,0]=4 578 B11R1.28 CCCNCC1=CC=CC=C1 Z56946091 [1,1,0,0,0,0|1,0,0]=3 579 B11R1.28 CCCNCC1=CC=NC=C1 Z3247723488 [1,1,0,0,0,0|2,0,0]=4 580 B11R1.28 CCCNCC1=CN=CC=C1 Z3247723489 [1,1,0,0,0,0|2,0,0]=4 581 B11R1.28 CCCNCC1=NC=CC=C1 Z4401052052 [1,1,0,0,0,0|2,0,0]=4 582 B11R1.28 CCNCCC1=CC=CC=C1 Z444350074 [1,1,0,0,0,0|1,0,0]=3 583 B11R1.28 CCNCCC1=NC=CC=C1 Z138534138 [1,1,0,0,0,0|2,0,0]=4 584 B11R1.28 CCOCCC1=CC=CC=C1 Z1198150519 [1,1,0,0,0,0|1,0,0]=3 585 B11R1.28 CNCCCC1=CC=CC=C1 Z102767020 [1,1,0,0,0,0|1,0,0]=3 586 B11R1.28 CNCCOC1=CC=CC=C1 Z56945505 [1,1,0,0,0,0|2,0,0]=4 587 B11R1.28 COCCNC1=CC=CC=C1 Z266463556 [1,1,0,0,0,0|2,0,0]=4 588 B11R1.28 ClCCCOC1=CC=CC=C1 Z275020186 [1,1,0,0,0,0|0,0,0]=2 589 B11R1.28 ClCCNCC1=CC=CC=C1 Z57158447 [1,1,0,0,0,0|0,0,0]=2 590 B11R1.28 N#CCCNC1=CC=CC=C1 Z56915949 [1,1,0,0,0,0|1,0,1]=4 591 B11R1.28 N#CCCOC1=CC=CC=C1 Z54337114 [1,1,0,0,0,0|1,0,1]=4 592 B11R1.28 N#CCNCC1=CC=CC=C1 Z266079624 [1,1,0,0,0,0|1,0,1]=4 593 B11R1.28 N#CCOCC1=CC=CC=C1 Z295205356 [1,1,0,0,0,0|1,0,1]=4 594 B11R1.28 N#CCSCC1=CC=CC=C1 Z54337756 [1,1,0,0,0,0|1,0,1]=4 595 B11R1.28 NCCCCC1=CC=CC=C1 Z2574929438 [1,1,0,0,0,0|1,0,0]=3 596 B11R1.28 NCCCCC1=CC=NC=C1 Z3234944907 [1,1,0,0,0,0|2,0,0]=4 597 B11R1.28 NCCCNC1=CC=CC=C1 Z756919512 [1,1,0,0,0,0|1,0,0]=3 598 B11R1.28 NCCCNC1=CC=NC=C1 Z317257864 [1,1,0,0,0,0|2,0,0]=4 599 B11R1.28 NCCCNC1=NC=CC=C1 Z234895141 [1,1,0,0,0,0|2,0,0]=4 600 B11R1.28 NCCCOC1=CC=CC=C1 Z234895129 [1,1,0,0,0,0|1,0,0]=3 601 B11R1.28 NCCCOC1=CC=NC=C1 Z976694292 [1,1,0,0,0,0|2,0,0]=4 602 B11R1.28 NCCCSC1=CC=CC=C1 Z262222134 [1,1,0,0,0,0|1,0,0]=3 603 B11R1.28 NCCCSC1=NC=CC=C1 Z2028214397 [1,1,0,0,0,0|2,0,0]=4 604 B11R1.28 NCCNCC1=NC=CC=C1 Z600492946 [1,1,0,0,0,0|2,0,0]=4 605 B11R1.28 NCCOCC1=CC=CC=C1 Z271005946 [1,1,0,0,0,0|1,0,0]=3 606 B11R1.28 O=CCCCC1=CC=CC=C1 Z993017616 [1,1,0,0,0,0|1,0,0]=3 607 B11R1.28 O=CCOCC1=CC=CC=C1 Z906195396 [1,1,0,0,0,0|1,0,1]=4 608 B11R1.28 O=CCSCC1=CC=CC=C1 Z854102762 [1,1,0,0,0,0|1,0,1]=4 609 B11R1.28 OCCCNC1=CC=CC=C1 Z104584292 [1,1,0,0,0,0|1,0,0]=3 610 B11R1.28 OCCCNC1=CC=NC=C1 Z359301948 [1,1,0,0,0,0|2,0,0]=4 611 B11R1.28 OCCCNC1=NC=CC=C1 Z31220937 [1,1,0,0,0,0|2,0,0]=4 612 B11R1.28 OCCCSC1=CC=CC=C1 Z104650330 [1,1,0,0,0,0|1,0,0]=3 613 B11R1.28 OCCNCC1=CN=CC=C1 Z90504502 [1,1,0,0,0,0|2,0,0]=4 614 B11R1.28 OCCOCC1=CC=CC=C1 Z854223062 [1,1,0,0,0,0|1,0,0]=3 615 B11R1.28 S=C=NCCC1=CC=CC=C1 Z56924472 [1,1,0,0,0,0|1,0,1]=4 616 B11R1.40 C#CC(N)CC1=CC=CC=C1 Z4167757719 [1,1,0,0,0,0|1,0,1]=4 617 B11R1.40 CC(C=O)CC1=CC=CC=C1 Z1198150055 [1,1,0,0,0,0|1,0,1]=4 618 B11R1.40 CC(CC1=CC=CC=C1)NN Z3033545382 [1,1,0,0,0,0|2,0,0]=4 619 B11R1.40 CC(CN)NC1=CC=CC=C1 Z1198235985 [1,1,0,0,0,0|2,0,0]=4 620 B11R1.40 CC(CN)OC1=CC=CC=C1 Z1245635737 [1,1,0,0,0,0|2,0,0]=4 621 B11R1.40 CC(CN)SC1=CC=CC=C1 Z844632804 [1,1,0,0,0,0|2,0,0]=4 622 B11R1.40 CCC(N)CC1=CC=CC=C1 Z431980016 [1,1,0,0,0,0|1,0,0]=3 623 B11R1.40 CCC(O)CC1=CC=CC=C1 Z513749284 [1,1,0,0,0,0|1,0,0]=3 624 B11R1.40 CCC(O)CC1=CC=NC=C1 Z992409862 [1,1,0,0,0,0|2,0,0]=4 625 B11R1.40 CC[C@@H](O)CC1=CC=CC=C1 Z1262397064 [1,1,0,0,0,0|1,0,0]=3 626 B11R1.40 CC[C@H](O)CC1=CC=CC=C1 Z1262397065 [1,1,0,0,0,0|1,0,0]=3 627 B11R1.40 NC(CO)CC1=CC=CC=C1 Z234898263 [1,1,0,0,0,0|1,0,0]=3 628 B11R1.40 NC(CO)CC1=CC=NC=C1 Z1824511267 [1,1,0,0,0,0|2,0,0]=4 629 B11R1.40 NCC(=O)CC1=CC=CC=C1 Z1569708978 [1,1,0,0,0,0|1,0,1]=4 630 B11R1.40 NCC(F)CC1=CC=CC=C1 Z2740416678 [1,1,0,0,0,0|1,0,0]=3 631 B11R1.40 NCC(N)CC1=CC=CC=C1 Z425861056 [1,1,0,0,0,0|1,0,0]=3 632 B11R1.40 NCC(O)CC1=CC=CC=C1 Z419084966 [1,1,0,0,0,0|1,0,0]=3 633 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 Z1157651018 [1,1,0,0,0,0|1,0,0]=3 634 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 Z1741982891 [1,1,0,0,0,0|1,0,0]=3 635 B11R1.40 O=C(CCl)CC1=CC=CC=C1 Z164706024 [1,1,0,0,0,0|0,0,1]=3 636 B11R1.40 O=C(CCl)NC1=CC=CC=C1 Z56889119 [1,1,0,0,0,0|1,0,1]=4 637 B11R1.91 CC(C)CNC1=CC=CC=C1 Z2092369729 [1,1,0,0,0,0|2,0,0]=4 638 B11R1.91 CC(N)CCC1=CC=CC=C1 Z104476462 [1,1,0,0,0,0|1,0,0]=3 639 B11R1.91 CC(N)COC1=CC=CC=C1 Z600397650 [1,1,0,0,0,0|2,0,0]=4 640 B11R1.91 CC(O)CNC1=CC=CC=C1 Z234898271 [1,1,0,0,0,0|2,0,0]=4 641 B11R1.91 CN(C)CCC1=CC=CC=C1 Z168912026 [1,1,0,0,0,0|2,0,0]=4 642 B11R1.91 C[C@H](N)CCC1=CC=CC=C1 Z5044990030 [1,1,0,0,0,0|1,0,0]=3 643 B11R1.91 FC(F)SCC1=CC=CC=C1 Z55626056 [1,1,0,0,0,0|1,1,0]=4 644 B11R1.91 N=C(N)CCC1=CC=CC=C1 Z2092176896 [1,1,0,0,0,0|1,0,1]=4 645 B11R1.91 NC(=O)CCC1=CC=CC=C1 Z33546514 [1,1,0,0,0,0|1,0,1]=4 646 B11R1.91 NC(=S)CCC1=CC=CC=C1 Z56824950 [1,1,0,0,0,0|1,0,1]=4 647 B11R1.91 O=C(O)CCC1=CC=CC=C1 Z57127332 [1,1,0,0,0,0|1,0,1]=4 648 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 Z995234780 [1,1,0,0,0,0|2,0,0]=4 649 B11R1.91 OB(O)CCC1=CC=CC=C1 Z1147227790 [1,1,0,0,0,0|2,0,0]=4 650 B11R1.77 CC(N)CC(O)C1=CC=CO1 Z1407654390 [0,1,0,0,1,0|2,0,0]=4 651 B11R1.77 CC(N)CC(O)C1=CC=CS1 Z1488857996 [0,1,0,0,1,0|2,0,0]=4 652 B13R1.19 O=C(CCCl)NC1=CC=C(C=C1)Br Z240090024 [0,1,0,0,0,1|0,0,2]=4 653 B13R1.19 O=C(CCCl)NC1=CC=C(C=C1)Cl Z57805686 [0,1,0,0,0,1|0,0,2]=4 654 B13R1.19 O=C(CCCl)NC1=CC=C(C=C1)F Z240090040 [0,1,0,0,0,1|0,0,2]=4 655 B13R1.19 O=C(CCCl)NC1=CC=C(C=C1)O Z425490042 [0,1,0,0,0,1|0,0,2]=4 656 B13R1.20 O=C(CCCl)NC1=CC(=CC=C1)Cl Z217707140 [0,1,0,0,0,1|0,0,2]=4 657 B13R1.20 O=C(CCCl)NC1=CC=CC(=C1)F Z217707142 [0,1,0,0,0,1|0,0,2]=4 658 B13R1.44 CCCCC(O)CC1=NC=CC=C1 Z992975716 [0,1,0,0,0,1|2,0,0]=4 659 B13R1.44 NC(CCCO)CC1=CC=CC=C1 Z1198157366 [0,1,0,0,0,1|2,0,0]=4 660 B13R1.47 CCCC(N)C(=O)C1=CC=CC=C1 Z1507357367 [0,1,0,0,0,1|2,0,0]=4 661 B13R1.348 CC(C)CC(N)CC1=CC=CC=C1 Z3214214500 [0,1,0,0,0,1|2,0,0]=4 662 B13R1.348 O=C(O)CC(O)CC1=CC=CC=C1 Z982132054 [0,1,0,0,0,1|1,0,1]=4 663 B13R1.470 O=C(CCCl)NC1=C(C=CC=C1)Br Z56355640 [0,1,0,0,0,1|0,0,2]=4 664 B13R1.470 O=C(CCCl)NC1=C(C=CC=C1)Cl Z217707118 [0,1,0,0,0,1|0,0,2]=4 665 B13R1.470 O=C(CCCl)NC1=C(C=CC=C1)F Z217707154 [0,1,0,0,0,1|0,0,2]=4 666 B13R1.1327 CC(O)(CCN)CC1=CC=CC=C1 Z1269757759 [0,1,0,0,0,1|1,0,0]=3 667 B13R1.26 CCC(OCCO)C1=CC=CC=C1 Z1896226330 [0,2,0,0,0,0|2,0,0]=4 668 B13R1.26 CCCNC(CC)C1=CC=CC=C1 Z316257194 [0,2,0,0,0,0|2,0,0]=4 669 B13R1.26 CCNCC(CC)C1=CC=CC=C1 Z163644928 [0,2,0,0,0,0|2,0,0]=4 670 B13R1.26 NCCC/C(=N/O)/C1=CC=CC=C1 Z235348081 [0,2,0,0,0,0|1,0,1]=4 671 B13R1.398 OCCN(CCO)C1=CC=CC=C1 Z336079346 [0,2,0,0,0,0|2,0,0]=4 672 B13R1.402 COCC(N)(CO)C1=CC=CC=C1 Z3214799413 [0,2,0,0,0,0|2,0,0]=4 673 B13R1.405 CCCC(C(=O)N)C1=CC=CC=C1 Z33547037 [0,2,0,0,0,0|1,0,1]=4 674 B13R1.405 CCCC(C(=O)O)C1=CC=CC=C1 Z56896771 [0,2,0,0,0,0|1,0,0]=3 675 B13R1.405 CCNC(C(=O)O)C1=CC=CC=C1 Z1849006528 [0,2,0,0,0,0|2,0,0]=4 676 B13R1.405 CCOC(C(=O)O)C1=CC=CC=C1 Z316258952 [0,2,0,0,0,0|2,0,0]=4 677 B13R1.405 CSCC(C(=O)O)C1=CC=CC=C1 Z1080732130 [0,2,0,0,0,0|2,0,0]=4 678 B13R1.405 O=C([O-])C(CCO)C1=CC=CC=C1 Z2343512022 [0,2,0,0,0,0|1,0,1]=4 679 B13R1.713 CC(C)CC(C=O)C1=CC=CC=C1 Z1268606424 [0,2,0,0,0,0|1,0,1]=4 680 B13R1.713 CC(C)OC(CO)C1=CC=CC=C1 Z1896186657 [0,2,0,0,0,0|2,0,0]=4 681 B13R1.713 CC(O)CC(CN)C1=CC=CC=C1 Z1410955907 [0,2,0,0,0,0|2,0,0]=4 682 B13R1.17 CCNCC(O)C1=CC=C(C=C1)C Z1020680862 [0,2,0,0,0,0|1,0,0]=3 683 B13R1.17 COCCC(N)C1=CC=C(C=C1)Cl Z1416200955 [0,2,0,0,0,0|2,0,0]=4 684 B13R1.17 OCCCC(O)C1=CC=C(C=C1)F Z1251359270 [0,2,0,0,0,0|1,0,0]=3 685 B13R1.21 CCC(C)C(N)C1=CC=C(C=C1)Cl Z291232760 [0,2,0,0,0,0|2,0,0]=4 686 B13R1.21 NC(CO)C(O)C1=CC=C(C=C1)Cl Z2670838766 [0,2,0,0,0,0|1,0,0]=3 687 B13R1.29 O=S(=O)(CCCl)C1=CC=C(C=C1)Br Z56346909 [0,2,0,0,0,0|1,0,1]=4 688 B13R1.132 CC(C)CC(N)C1=CC=C(C=C1)Cl Z291232734 [0,2,0,0,0,0|2,0,0]=4 689 B13R1.132 CC(N)CC(O)C1=CC=C(C=C1)F Z1424669539 [0,2,0,0,0,0|1,0,0]=3 690 B13R1.132 O=C(O)CC(O)C1=CC=C(C=C1)Cl Z982132070 [0,2,0,0,0,0|1,0,1]=4 691 B13R1.132 O=C(O)CC(O)C1=CC=C(C=C1)F Z982132094 [0,2,0,0,0,0|1,0,1]=4 692 B13R1.452 CCCC(N)C1=CC=C(C=C1)OC Z1509094932 [0,2,0,0,0,0|2,0,0]=4 693 B13R1.452 COC1=CC=C(C=C1)C(C)CCN Z851015012 [0,2,0,0,0,0|2,0,0]=4 694 B13R1.466 CCCC(N)C1=CC(=C(C=C1)Br)F Z5496163501 [0,2,0,0,0,0|2,0,0]=4 695 B13R1.466 CCCC(N)C1=CC(=C(C=C1)Cl)Cl Z1262246201 [0,2,0,0,0,0|2,0,0]=4 696 B13R1.466 CNCC(O)C1=CC(=C(C=C1)O)C Z1262591397 [0,2,0,0,0,0|2,0,0]=4 697 B13R1.466 CNC[C@@H](O)C1=CC(=C(C=C1)O)O Z1198154207 [0,2,0,0,0,0|2,0,0]=4 698 B13R1.466 CNC[C@H](O)C1=CC(=C(C=C1)O)O Z1255449978 [0,2,0,0,0,0|2,0,0]=4 699 B13R1.466 NC(CCO)C1=CC(=C(C=C1)Cl)F Z979743780 [0,2,0,0,0,0|2,0,0]=4 700 B13R1.466 NCCC(O)C1=CC(=C(C=C1)Cl)Cl Z1258890570 [0,2,0,0,0,0|1,0,0]=3 701 B13R1.1511 CCCC(N)C1=C(C=C(C=C1)F)F Z335236702 [0,2,0,0,0,0|2,0,0]=4 702 B13R1.1511 NC(CCO)C1=C(C=C(C=C1)F)F Z3358521054 [0,2,0,0,0,0|2,0,0]=4 703 B13R1.18 CCNCC(C)C1=CC(=CC=C1)Br Z3196419994 [0,2,0,0,0,0|2,0,0]=4 704 B13R1.18 CCNCC(O)C1=CC(=CC=C1)O Z56836691 [0,2,0,0,0,0|1,0,0]=3 705 B13R1.147 O=C(O)CC(O)C1=CC(=CC=C1)F Z982132016 [0,2,0,0,0,0|1,0,1]=4 706 B13R1.11 CC(NC(=O)CCl)C1=CC=CC=C1 Z56891403 [0,2,0,0,0,0|1,0,1]=4 707 B13R1.11 C[C@@H](NC(=O)CCl)C1=CC=CC=C1 Z1165166439 [0,2,0,0,0,0|1,0,1]=4 708 B13R1.24 CC(OCCC#N)C1=CC=CC=C1 Z317037870 [0,2,0,0,0,0|2,0,0]=4 709 B13R1.24 CC(OCCCN)C1=CC=CC=C1 Z99601222 [0,2,0,0,0,0|2,0,0]=4 710 B13R1.24 CCCCCC(N)C1=CC=CC=C1 Z362781052 [0,2,0,0,0,0|2,0,0]=4 711 B13R1.24 CCCCCC(O)C1=CC=CC=C1 Z445987152 [0,2,0,0,0,0|1,0,0]=3 712 B13R1.24 CCCCNC(C)C1=CC=CC=C1 Z1250132346 [0,2,0,0,0,0|2,0,0]=4 713 B13R1.24 COCCNC(C)C1=CC=CC=C1 Z137543082 [0,2,0,0,0,0|2,0,0]=4 714 B13R1.24 N#CCCCC(N)C1=CC=CC=C1 Z2216303120 [0,2,0,0,0,0|2,0,0]=4 715 B13R1.45 CC(=O)NCC(O)C1=CC=CC=C1 Z255306774 [0,2,0,0,0,0|1,0,1]=4 716 B13R1.45 CC(C)CNC(C)C1=CC=CC=C1 Z4926664046 [0,2,0,0,0,0|2,0,0]=4 717 B13R1.45 CC(CCC(=O)O)C1=CC=CC=C1 Z1198150373 [0,2,0,0,0,0|2,0,0]=4 718 B13R1.45 CN(C)CCC(O)C1=CC=CC=C1 Z56755627 [0,2,0,0,0,0|1,0,0]=3 719 B13R1.45 NC(=O)NCC(O)C1=CC=CC=C1 Z198194916 [0,2,0,0,0,0|1,0,1]=4 720 B13R1.45 NC(=O)OCC(O)C1=CC=CC=C1 Z1198155491 [0,2,0,0,0,0|1,0,1]=4 721 B13R1.45 NC(CCC(=O)O)C1=CC=CC=C1 Z2213893322 [0,2,0,0,0,0|2,0,0]=4 722 B13R1.122 CNCCC(C)(C)C1=CC=CC=C1 Z5376656985 [0,2,0,0,0,0|2,0,0]=4 723 B13R1.674 CCCNC(C)C1=C(C=CC=C1)Br Z316257250 [0,2,0,0,0,0|2,0,0]=4 724 B13R1.152 CC(C)C(O)C(N)C1=CC=CC=C1 Z385458472 [0,2,0,0,0,0|2,0,0]=4 725 B13R1.152 CC(N)C(N)C(O)C1=CC=CC=C1 Z2724405896 [0,2,0,0,0,0|1,0,0]=3 726 B13R1.152 NC(C(=O)O)C(O)C1=CC=CC=C1 Z1649893051 [0,2,0,0,0,0|1,0,1]=4 727 B13R1.263 NCC(F)(F)C(O)C1=CC=CC=C1 Z5524788105 [0,2,0,0,0,0|1,0,0]=3 728 B13R1.696 CCC(N)C(O)C1=C(C=CC=C1)F Z1297758289 [0,2,0,0,0,0|1,0,0]=3 729 B13R1.708 CC(C)(C(=O)CCl)C1=CC=CC=C1 Z1262489088 [0,2,0,0,0,0|1,0,1]=4 730 B13R1.708 CCC(N)C(C)(C)C1=CC=CC=C1 Z1082245218 [0,2,0,0,0,0|2,0,0]=4 731 B13R1.708 CCC(O)C(C)(C)C1=CC=CC=C1 Z1082244996 [0,2,0,0,0,0|2,0,0]=4 732 B13R1.708 NCC(O)C(F)(F)C1=CC=CC=C1 Z4443065812 [0,2,0,0,0,0|2,0,0]=4 733 B13R1.347 CC(N)CC(C)(C)C1=CC=CC=C1 Z446020882 [0,2,0,0,0,0|2,0,0]=4 734 B13R1.347 CC(O)(CC(=O)O)C1=CC=CC=C1 Z982131900 [0,2,0,0,0,0|1,0,1]=4 735 B13R1.347 CC(O)CC(C)(C)C1=CC=CC=C1 Z445987050 [0,2,0,0,0,0|2,0,0]=4 736 B13R1.2819 CC(C)(CCO)C1=C(C=CC=C1)O Z1513810267 [0,2,0,0,0,0|2,0,0]=4 737 B13R1.201 CC1=C(C=CC=C1)C(N)CC(C)C Z3069282331 [0,2,0,0,0,0|2,0,0]=4 738 B13R1.352 CC(C)(C)CC(N)C1=CC=CC=C1 Z291232396 [0,2,0,0,0,0|2,0,0]=4 739 B13R1.352 CS(=O)(=O)CC(O)C1=CC=CC=C1 Z822382694 [0,2,0,0,0,0|2,0,0]=4 740 B13R1.352 NC(CC(F)(F)F)C1=CC=CC=C1 Z291232304 [0,2,0,0,0,0|1,1,0]=4 741 B11R2.1 CC1CNC2=C1C=CC=C2 Z415739264 [1,0,0,1,0,0|2,0,0]=4 742 B11R2.1 CC1NCC2=C1C=CC=C2 Z1203731964 [1,0,0,1,0,0|2,0,0]=4 743 B11R2.1 NC1CCC2=C1C=CC=C2 Z168884748 [1,0,0,1,0,0|1,0,0]=3 744 B11R2.1 NC1CSC2=C1C=CC=C2 Z431544668 [1,0,0,1,0,0|2,0,0]=4 745 B11R2.1 N[C@@H]1CCC2=C1C=CC=C2 Z1741972748 [1,0,0,1,0,0|1,0,0]=3 746 B11R2.1 O=C1CCC2=C1C=CC=C2 Z104495974 [1,0,0,1,0,0|0,0,2]=4 747 B11R2.1 OB1OCC2=C1C=CC=C2 Z1255356609 [1,0,0,1,0,0|2,0,0]=4 748 B11R2.1 OC1COC2=C1C=CC=C2 Z1267884639 [1,0,0,1,0,0|1,0,0]=3 749 B11R2.1 O[C@@H]1CSC2=C1C=CC=C2 Z1438326029 [1,0,0,1,0,0|1,0,0]=3 750 B11R2.4 N[C@@H]1C[C@@H]1C2=CC=CC=C2 Z2309888982 [1,0,0,1,0,0|2,0,0]=4 751 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 Z2296167800 [1,0,0,1,0,0|2,0,0]=4 752 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 Z2517097696 [1,0,0,1,0,0|2,0,0]=4 753 B11R2.40 CC1(CO1)C2=CC=CC=C2 Z813010616 [1,0,0,1,0,0|2,0,0]=4 754 B11R2.40 NC1(CC1)C2=CC=CC=C2 Z1262398449 [1,0,0,1,0,0|1,0,0]=3 755 B11R2.40 NC1(CC1)C2=CC=NC=C2 Z3244521572 [1,0,0,1,0,0|2,0,0]=4 756 B11R2.40 NC1(CC1)C2=CN=CC=C2 Z3241265434 [1,0,0,1,0,0|2,0,0]=4 757 B11R2.40 NC1(CC1)C2=NC=CC=C2 Z995042286 [1,0,0,1,0,0|2,0,0]=4 758 B11R2.239 C1=CC=C(C=C1)C2CCN2 Z359510120 [1,0,0,1,0,0|1,0,0]=3 759 B11R2.988 NCC1CC2=C1C=CC=C2 Z234895091 [1,0,0,1,0,0|2,0,0]=4 760 B11R2.20 C1=CC2=C(C=C1)CCC=C2 Z237493310 [1,0,0,1,0,0|1,0,1]=4 761 B11R2.20 C1=CC2=C(C=C1)CNCC2 Z57834231 [1,0,0,1,0,0|2,0,0]=4 762 B11R2.20 C1=CC2=C(C=C1)COCC2 Z756090080 [1,0,0,1,0,0|2,0,0]=4 763 B11R2.20 C1=CC2=C(C=C1)OCCC2 Z728136016 [1,0,0,1,0,0|1,0,0]=3 764 B11R2.20 C1=CC2=C(C=C1)OCCN2 Z228584850 [1,0,0,1,0,0|2,0,0]=4 765 B11R2.20 C1=CC2=C(C=C1)SCCN2 Z56943460 [1,0,0,1,0,0|2,0,0]=4 766 B11R2.20 C1=CC2=C(C=N1)CCCC2 Z104492180 [1,0,0,1,0,0|2,0,0]=4 767 B11R2.20 C1=CC2=C(C=N1)NCCC2 Z3243651200 [1,0,0,1,0,0|2,0,0]=4 768 B11R2.20 C1=CC2=C(CCCC2)N=C1 Z1201617100 [1,0,0,1,0,0|2,0,0]=4 769 B11R2.20 C1=CC2=C(CCCN2)N=C1 Z212053854 [1,0,0,1,0,0|2,0,0]=4 770 B11R2.20 C1=CC2=C(N=C1)NCCC2 Z1198176448 [1,0,0,1,0,0|2,0,0]=4 771 B11R2.238 C1=CC=C(C=C1)CC2CO2 Z1020680006 [1,0,0,1,0,0|1,0,0]=3 772 B11R2.238 C1=CC=C(C=C1)C[C@@H]2CO2 Z1617991494 [1,0,0,1,0,0|1,0,0]=3 773 B11R2.238 C1=CC=C(C=C1)C[C@H]2CO2 Z2216712384 [1,0,0,1,0,0|1,0,0]=3 774 B11R2.238 C1=CC=C(C=C1)NC2CC2 Z1203731288 [1,0,0,1,0,0|2,0,0]=4 775 B13R2.15 NC1CCCC1C2=CC=CC=C2 Z993058900 [0,0,0,1,0,1|2,0,0]=4 776 B13R2.15 N[C@@H]1CCO[C@H]1C2=CC=CC=C2 Z2690083974 [0,0,0,1,0,1|2,0,0]=4 777 B13R2.15 OC1CCCC1C2=CN=CC=C2 Z992949374 [0,0,0,1,0,1|2,0,0]=4 778 B13R2.15 O[C@@H]1CCC[C@H]1C2=CC=CC=C2 Z2306832376 [0,0,0,1,0,1|1,0,0]=3 779 B13R2.15 O[C@@H]1CCN[C@@H]1C2=CC=CC=C2 Z4203073787 [0,0,0,1,0,1|1,0,0]=3 780 B13R2.26 NCCC1=CC2=C(O1)C=CC=C2 Z1250132703 [0,0,0,1,0,1|1,0,1]=4 781 B13R2.26 NCCC1CC2=C(C1)C=CC=C2 Z851015128 [0,0,0,1,0,1|2,0,0]=4 782 B13R2.31 NC1CC(C1)NC2=CC=CC=C2 Z2753743538 [0,0,0,1,0,1|2,0,0]=4 783 B13R2.31 N[C@H]1C[C@@H](C1)CC2=CC=CC=C2 Z5336692620 [0,0,0,1,0,1|2,0,0]=4 784 B13R2.31 OC1CC(C1)CC2=CC=CC=C2 Z1551917814 [0,0,0,1,0,1|2,0,0]=4 785 B13R2.31 O[C@H]1C[C@H](C1)SC2=CC=CC=C2 Z2690875271 [0,0,0,1,0,1|2,0,0]=4 786 B13R2.50 NC[C@@H]1C[C@H]1CC2=CC=CC=C2 Z3013803470 [0,0,0,1,0,1|2,0,0]=4 787 B13R2.64 C1=CC=C(C=C1)CC2CCCN2 Z237735126 [0,0,0,1,0,1|2,0,0]=4 788 B13R2.64 C1=CC=C(C=C1)CC2CCNC2 Z979422194 [0,0,0,1,0,1|2,0,0]=4 789 B13R2.64 C1=CC=C(C=C1)NC2CCCC2 Z334877896 [0,0,0,1,0,1|2,0,0]=4 790 B13R2.64 C1=CC=C(C=C1)NC2CCNC2 Z970090328 [0,0,0,1,0,1|2,0,0]=4 791 B13R2.64 C1=CC=C(C=C1)OC2CCNC2 Z975916118 [0,0,0,1,0,1|2,0,0]=4 792 B13R2.135 CN[C@H]1C2=C(C=CC=C2)C[C@@H]1O Z4716420151 [0,0,0,1,0,1|2,0,0]=4 793 B13R2.163 CC1CCNC2=C(N1)C=CC=C2 Z1258763758 [0,0,0,1,0,1|2,0,0]=4 794 B13R2.163 CC1CCNC2=C(S1)C=CC=C2 Z56347587 [0,0,0,1,0,1|2,0,0]=4 795 B13R2.197 C[C@@H]1C[C@@]1(N)CC2=CC=CC=C2 Z3487486148 [0,0,0,1,0,1|2,0,0]=4 796 B13R2.221 NC1(CCC1)CC2=CC=CC=C2 Z1428160831 [0,0,0,1,0,1|2,0,0]=4 797 B13R2.444 NC(CC1=CC=CC=C1)C2CC2 Z1695784318 [0,0,0,1,0,1|2,0,0]=4 798 B13R2.1 CCNC1COC2=C1C=CC=C2 Z425810960 [0,1,0,1,0,0|2,0,0]=4 799 B13R2.1 N#CCC1COC2=C1C=CC=C2 Z1316805889 [0,1,0,1,0,0|1,0,1]=4 800 B13R2.1 NCCC1=NOC2=C1C=CC=C2 Z2492774449 [0,1,0,1,0,0|1,0,1]=4 801 B13R2.3 C1=CC(=CN=C1)C2CNCCO2 Z3235143301 [0,1,0,1,0,0|2,0,0]=4 802 B13R2.3 C1=CC=C(C=C1)C2CCCNC2 Z2205958510 [0,1,0,1,0,0|2,0,0]=4 803 B13R2.3 C1=CC=C(C=C1)C2CCNCC2 Z235351197 [0,1,0,1,0,0|2,0,0]=4 804 B13R2.3 C1=CC=C(C=C1)C2CCOCN2 Z2891267780 [0,1,0,1,0,0|2,0,0]=4 805 B13R2.3 C1=CC=C(C=C1)C2CNCCN2 Z1250954583 [0,1,0,1,0,0|2,0,0]=4 806 B13R2.3 C1=CC=C(C=C1)C2CNCCO2 Z283821656 [0,1,0,1,0,0|1,0,0]=3 807 B13R2.3 C1=CC=C(C=C1)C2COCCN2 Z1097086259 [0,1,0,1,0,0|2,0,0]=4 808 B13R2.3 C1=CC=C(C=C1)C2CSCCN2 Z1201621925 [0,1,0,1,0,0|2,0,0]=4 809 B13R2.3 C1=CN=C(C=C1)C2CNCCO2 Z3235143299 [0,1,0,1,0,0|2,0,0]=4 810 B13R2.10 CC1CC(CN1)C2=CC=CC=C2 Z1203620755 [0,1,0,1,0,0|2,0,0]=4 811 B13R2.10 FC1CNC(C1)C2=CC=CC=C2 Z2732815726 [0,1,0,1,0,0|1,1,0]=4 812 B13R2.10 NC1CCC(C1)C2=CC=CC=C2 Z1947438117 [0,1,0,1,0,0|2,0,0]=4 813 B13R2.10 NC1COC(C1)C2=CC=CC=C2 Z4657508784 [0,1,0,1,0,0|1,0,0]=3 814 B13R2.10 O=C1CC(CO1)C2=CC=CC=C2 Z1551943626 [0,1,0,1,0,0|1,0,1]=4 815 B13R2.10 OC1CNC(C1)C2=CC=CC=C2 Z2298064173 [0,1,0,1,0,0|2,0,0]=4 816 B13R2.56 NCC1CCC1C2=CC=CC=C2 Z4003034803 [0,1,0,1,0,0|2,0,0]=4 817 B13R2.56 OC[C@@H]1NC[C@H]1C2=CC=CC=C2 Z3691037314 [0,1,0,1,0,0|2,0,0]=4 818 B13R2.373 CC1C(CC1C2=CC=CC=C2)N Z1430540182 [0,1,0,1,0,0|2,0,0]=4 819 B13R2.453 NCCC1(CC1)C2=CC=CC=C2 Z2798531076 [0,1,0,1,0,0|2,0,0]=4 820 B13R2.679 N#CC(C1=CC=CC=C1)C2CC2 Z1198339353 [0,1,0,1,0,0|2,0,0]=4 821 B13R2.679 NCC(C1=CC=CC=C1)C2CC2 Z2205958644 [0,1,0,1,0,0|2,0,0]=4 822 B13R2.679 O=CC(C1=CC=CC=C1)C2CC2 Z1255459771 [0,1,0,1,0,0|1,0,1]=4 823 B13R2.1613 N#CC1CCCC2=C1C=CC=C2 Z295443708 [0,1,0,1,0,0|2,0,0]=4 824 B13R2.1613 N#CC1CCOC2=C1C=CC=C2 Z415654798 [0,1,0,1,0,0|2,0,0]=4 825 B13R2.1613 NCC1CCCC2=C1C=CC=C2 Z234895145 [0,1,0,1,0,0|2,0,0]=4 826 B13R2.1613 NCC1CCOC2=C1C=CC=C2 Z415655034 [0,1,0,1,0,0|2,0,0]=4 827 B13R2.1613 O/N=C\1/CCOC2=C1C=CC=C2 Z49568687 [0,1,0,1,0,0|1,0,1]=4 828 B13R2.1613 O=CC1CCCC2=C1C=CC=C2 Z1079132786 [0,1,0,1,0,0|1,0,1]=4 829 B13R2.1613 O=CC1CCOC2=C1C=CC=C2 Z608061286 [0,1,0,1,0,0|1,0,1]=4 830 B13R2.1613 OCC1CCCC2=C1C=CC=C2 Z995212536 [0,1,0,1,0,0|1,0,0]=3 831 B13R2.1613 OCC1CCCC2=C1N=CC=C2 Z1216823106 [0,1,0,1,0,0|2,0,0]=4 832 B13R2.1613 OCC1CNCC2=C1C=CC=C2 Z2310716062 [0,1,0,1,0,0|2,0,0]=4 833 B13R2.1613 OCC1NCCC2=C1C=CC=C2 Z1192380043 [0,1,0,1,0,0|2,0,0]=4 834 B13R2.2539 CNC1(CCC1)C2=CC=CC=C2 Z5336514980 [0,1,0,1,0,0|2,0,0]=4 835 B13R2.2539 COC1(CNC1)C2=CC=CC=C2 Z1992316405 [0,1,0,1,0,0|2,0,0]=4 836 B13R2.2539 N#CC1(CCC1)C2=CC=CC=C2 Z361882924 [0,1,0,1,0,0|2,0,0]=4 837 B13R2.2539 NCC1(CCC1)C2=CC=CC=C2 Z212171864 [0,1,0,1,0,0|2,0,0]=4 838 B13R2.2539 O=CC1(CCC1)C2=CC=CC=C2 Z1216846429 [0,1,0,1,0,0|1,0,1]=4 839 B13R2.2539 OCC1(CNC1)C2=CC=CC=C2 Z2301684355 [0,1,0,1,0,0|2,0,0]=4 840 B13R2.2931 NCC1OB(C2=C1C=CC=C2)O Z2469628196 [0,1,0,1,0,0|2,0,0]=4 841 B13R2.2931 N[C@@H]1C[C@@H](C2=C1C=CC=C2)CO Z2786644766 [0,1,0,1,0,0|1,0,0]=3 842 B13R2.12 BrC1=CC=C(C=C1)C2CCCC2 Z1269180595 [0,1,0,1,0,0|2,0,0]=4 843 B13R2.12 BrC1=CC=C(C=C1)C2CCCN2 Z281773782 [0,1,0,1,0,0|2,0,0]=4 844 B13R2.12 BrC1=CC=C(C=C1)C2CCNC2 Z3235035411 [0,1,0,1,0,0|2,0,0]=4 845 B13R2.12 BrC1=CC=C(C=C1)C2OCCO2 Z1269186914 [0,1,0,1,0,0|2,0,0]=4 846 B13R2.12 CC1=CC=C(C=C1)C2CCCN2 Z281773826 [0,1,0,1,0,0|2,0,0]=4 847 B13R2.12 CC1=CC=C(C=C1)C2CCNC2 Z940902790 [0,1,0,1,0,0|2,0,0]=4 848 B13R2.12 ClC1=CC=C(C=C1)C2CCCN2 Z1262246112 [0,1,0,1,0,0|2,0,0]=4 849 B13R2.12 ClC1=CC=C(C=C1)C2CCNC2 Z1266933891 [0,1,0,1,0,0|2,0,0]=4 850 B13R2.12 FC1=CC=C(C=C1)C2CCCN2 Z221586518 [0,1,0,1,0,0|2,0,0]=4 851 B13R2.12 FC1=CC=C(C=C1)C2CCNC2 Z940902798 [0,1,0,1,0,0|2,0,0]=4 852 B13R2.12 IC1=CC=C(C=C1)C2CCCN2 Z362776096 [0,1,0,1,0,0|2,0,0]=4 853 B13R2.12 NC1=CC=C(C=C1)C2CCOC2 Z1486013480 [0,1,0,1,0,0|2,0,0]=4 854 B13R2.12 OC1=CC=C(C=C1)C2CCCN2 Z803145548 [0,1,0,1,0,0|2,0,0]=4 855 B13R2.12 OC1=CC=C(C=C1)C2CCNC2 Z2692095167 [0,1,0,1,0,0|2,0,0]=4 856 B13R2.12 OC1=CC=C(C=C1)C2CCOC2 Z1486018525 [0,1,0,1,0,0|2,0,0]=4 857 B13R2.42 NC[C@@H]1C[C@H]1C2=CC=C(C=C2)F Z2286737527 [0,1,0,1,0,0|2,0,0]=4 858 B13R2.147 NC1CC(C1)C2=CC=C(C=C2)Br Z1696091784 [0,1,0,1,0,0|2,0,0]=4 859 B13R2.147 NC1CC(C1)C2=CC=C(C=C2)F Z1266854912 [0,1,0,1,0,0|2,0,0]=4 860 B13R2.147 N[C@H]1C[C@@H](C1)C2=CC=C(C=C2)Cl Z1947189743 [0,1,0,1,0,0|2,0,0]=4 861 B13R2.147 OC1CC(C1)C2=CC=C(C=C2)Br Z501748690 [0,1,0,1,0,0|2,0,0]=4 862 B13R2.520 CC1=CC=C(C=C1)C(N)C2CC2 Z212051920 [0,1,0,1,0,0|2,0,0]=4 863 B13R2.520 NC(C1=CC=C(C=C1)Cl)C2CC2 Z336481690 [0,1,0,1,0,0|2,0,0]=4 864 B13R2.520 NC(C1=CC=C(C=C1)F)C2CC2 Z291232556 [0,1,0,1,0,0|2,0,0]=4 865 B13R2.520 OC(C1=CC=C(C=C1)Br)C2CC2 Z756121470 [0,1,0,1,0,0|1,0,0]=3 866 B13R2.2986 CC1=CC=C(C=C1)C2(CCC2)N Z2442062240 [0,1,0,1,0,0|2,0,0]=4 867 B13R2.2986 NC1(CCC1)C2=CC=C(C=C2)Br Z607822450 [0,1,0,1,0,0|2,0,0]=4 868 B13R2.2986 NC1(CCC1)C2=CC=C(C=C2)Cl Z381654476 [0,1,0,1,0,0|2,0,0]=4 869 B13R2.2986 NC1(CCC1)C2=CC=C(C=C2)F Z381654552 [0,1,0,1,0,0|2,0,0]=4 870 B13R2.2986 OC1(CCC1)C2=CC=C(C=C2)F Z1302423014 [0,1,0,1,0,0|1,0,0]=3 871 B13R2.2986 OC1(CNC1)C2=CC=C(C=C2)Br Z2582758894 [0,1,0,1,0,0|2,0,0]=4 872 B13R2.2986 OC1(CNC1)C2=CC=C(C=C2)Cl Z4473823969 [0,1,0,1,0,0|2,0,0]=4 873 B13R2.2987 CC1(CC1N)C2=CC=C(C=C2)F Z1695926070 [0,1,0,1,0,0|2,0,0]=4 874 B13R2.5179 NC1CCCC2=C1C=CC(=C2)O Z2867491070 [0,1,0,1,0,0|2,0,0]=4 875 B13R2.5179 NC1CCOC2=C1C=CC(=C2)Cl Z2044769360 [0,1,0,1,0,0|2,0,0]=4 876 B13R2.5179 N[C@@H]1CCCC2=C1C=CC(=C2)F Z1357774230 [0,1,0,1,0,0|2,0,0]=4 877 B13R2.5179 N[C@@H]1CCOC2=C1C=CC(=C2)F Z2242076651 [0,1,0,1,0,0|2,0,0]=4 878 B13R2.5179 N[C@H]1CCOC2=C1C=CC(=C2)F Z2440429201 [0,1,0,1,0,0|2,0,0]=4 879 B13R2.5179 OC1CCCC2=C1C=CC(=C2)F Z1255366926 [0,1,0,1,0,0|1,0,0]=3 880 B13R2.13 BrC1=CC(=CC=C1)C2CCCN2 Z295459704 [0,1,0,1,0,0|2,0,0]=4 881 B13R2.13 BrC1=CC(=CC=C1)C2CCNC2 Z1269121156 [0,1,0,1,0,0|2,0,0]=4 882 B13R2.13 CC1=CC(=CC=C1)C2CCCN2 Z281773884 [0,1,0,1,0,0|2,0,0]=4 883 B13R2.13 CC1=CC(=CC=C1)C2CCNC2 Z940902750 [0,1,0,1,0,0|2,0,0]=4 884 B13R2.13 ClC1=CC(=CC=C1)C2CCCN2 Z234895217 [0,1,0,1,0,0|2,0,0]=4 885 B13R2.13 ClC1=CC(=CC=C1)C2CCNC2 Z2213893356 [0,1,0,1,0,0|2,0,0]=4 886 B13R2.13 ClC1=CC(=CC=C1)[C@@H]2CCNC2 Z3490779832 [0,1,0,1,0,0|2,0,0]=4 887 B13R2.13 ClC1=CC(=CC=C1)[C@H]2CCNC2 Z3492371639 [0,1,0,1,0,0|2,0,0]=4 888 B13R2.13 FC1=CC(=CC=C1)C2CCCN2 Z752370692 [0,1,0,1,0,0|2,0,0]=4 889 B13R2.13 FC1=CC(=CC=C1)C2CCNC2 Z940902748 [0,1,0,1,0,0|2,0,0]=4 890 B13R2.13 IC1=CC(=CC=C1)C2CCCN2 Z362776598 [0,1,0,1,0,0|2,0,0]=4 891 B13R2.13 NC1=CC(=CC=C1)C2CCCC2 Z3490415509 [0,1,0,1,0,0|2,0,0]=4 892 B13R2.13 OC1=CC(=CC=C1)C2CCCC2 Z1485998351 [0,1,0,1,0,0|2,0,0]=4 893 B13R2.13 OC1=CC(=CC=C1)C2CCNC2 Z2489057895 [0,1,0,1,0,0|2,0,0]=4 894 B13R2.151 CC1=CC(=CC=C1)[C@H]2C[C@@H](C2)N Z1954242338 [0,1,0,1,0,0|2,0,0]=4 895 B13R2.151 NC1CC(C1)C2=CC(=CC=C2)Cl Z1262327397 [0,1,0,1,0,0|2,0,0]=4 896 B13R2.151 N[C@H]1C[C@@H](C1)C2=CC(=CC=C2)Br Z3088779932 [0,1,0,1,0,0|2,0,0]=4 897 B13R2.162 CC1=CC2=C(C=C1)CCC[C@@H]2N Z2130641406 [0,1,0,1,0,0|2,0,0]=4 898 B13R2.162 CC1=CC2=C(C=C1)SCCC2N Z384973728 [0,1,0,1,0,0|2,0,0]=4 899 B13R2.162 NC1=CC2=C(C=C1)CCCC2N Z1262631299 [0,1,0,1,0,0|2,0,0]=4 900 B13R2.162 NC1CCCC2=C1C=C(C=C2)Br Z3234892335 [0,1,0,1,0,0|2,0,0]=4 901 B13R2.162 NC1CCCC2=C1C=C(C=C2)F Z1008463750 [0,1,0,1,0,0|2,0,0]=4 902 B13R2.162 NC1CCOC2=C1C=C(C=C2)Br Z812517124 [0,1,0,1,0,0|2,0,0]=4 903 B13R2.162 NC1CCOC2=C1C=C(C=C2)Cl Z3234952129 [0,1,0,1,0,0|2,0,0]=4 904 B13R2.162 NC1CCOC2=C1C=C(C=C2)F Z1266854953 [0,1,0,1,0,0|2,0,0]=4 905 B13R2.162 NC1CCSC2=C1C=C(C=C2)Br Z812516964 [0,1,0,1,0,0|2,0,0]=4 906 B13R2.162 NC1CCSC2=C1C=C(C=C2)Cl Z147340872 [0,1,0,1,0,0|2,0,0]=4 907 B13R2.162 NC1CCSC2=C1C=C(C=C2)F Z118507072 [0,1,0,1,0,0|2,0,0]=4 908 B13R2.162 N[C@@H]1CCOC2=C1C=C(C=C2)O Z3353639073 [0,1,0,1,0,0|2,0,0]=4 909 B13R2.162 OC1CCCC2=C1C=C(C=C2)Cl Z1008483484 [0,1,0,1,0,0|1,0,0]=3 910 B13R2.162 OC1CCOC2=C1C=C(C=C2)Br Z235448344 [0,1,0,1,0,0|1,0,0]=3 911 B13R2.342 CC1=C2OCCC(C2=CC=C1)N Z382721020 [0,1,0,1,0,0|2,0,0]=4 912 B13R2.342 CC1=CC=CC2=C1NCCC2C Z1198183889 [0,1,0,1,0,0|2,0,0]=4 913 B13R2.342 CC1CCNC2=C1C=CC=C2O Z1718362003 [0,1,0,1,0,0|2,0,0]=4 914 B13R2.342 NC1=C2OCCC(C2=CC=C1)O Z1463271034 [0,1,0,1,0,0|1,0,0]=3 915 B13R2.342 NC1CCCC2=C1C=CC=C2F Z2230911457 [0,1,0,1,0,0|2,0,0]=4 916 B13R2.342 NC1CCCC2=C1C=CC=C2O Z1262626223 [0,1,0,1,0,0|2,0,0]=4 917 B13R2.342 NC1CCOC2=C1C=CC=C2Cl Z815264240 [0,1,0,1,0,0|2,0,0]=4 918 B13R2.342 NC1CCOC2=C1C=CC=C2F Z803129962 [0,1,0,1,0,0|2,0,0]=4 919 B13R2.342 NC1CCSC2=C1C=CC=C2F Z140937306 [0,1,0,1,0,0|2,0,0]=4 920 B13R2.342 OC1=CC=CC2=C1CCCC2O Z104511134 [0,1,0,1,0,0|1,0,0]=3 921 B13R2.342 OC1CCOC2=C1C=CC=C2Cl Z1255439653 [0,1,0,1,0,0|1,0,0]=3 922 B13R2.342 O[C@@H]1CCOC2=C1C=CC=C2F Z959151608 [0,1,0,1,0,0|1,0,0]=3 923 B13R2.342 O[C@H]1CCOC2=C1C=CC=C2F Z959151606 [0,1,0,1,0,0|1,0,0]=3 924 B13R2.3018 CC1=CC(=CC=C1)C2(CCC2)N Z2429425673 [0,1,0,1,0,0|2,0,0]=4 925 B13R2.3018 NC1(CCC1)C2=CC(=CC=C2)Br Z390131110 [0,1,0,1,0,0|2,0,0]=4 926 B13R2.3018 NC1(CCC1)C2=CC(=CC=C2)F Z2429425722 [0,1,0,1,0,0|2,0,0]=4 927 B13R2.3018 NC1=CC(=CC=C1)C2(CCC2)N Z5064892725 [0,1,0,1,0,0|2,0,0]=4 928 B13R2.3018 OC1(CNC1)C2=CC(=CC=C2)Br Z1551923504 [0,1,0,1,0,0|2,0,0]=4 929 B13R2.3018 OC1(CNC1)C2=CC(=CC=C2)F Z3487915997 [0,1,0,1,0,0|2,0,0]=4 930 B13R2.3019 CC1(CC1N)C2=CC(=CC=C2)F Z1695926124 [0,1,0,1,0,0|2,0,0]=4 931 B13R2.4857 CC1=CC=CC2=C1C(CC2O)C Z1157838209 [0,1,0,1,0,0|1,0,0]=3 932 B13R2.52 CNC1CC(C1)C2=CC=CC=C2 Z444333842 [0,1,0,1,0,0|2,0,0]=4 933 B13R2.223 CC1(CCNC1)C2=CC=CC=C2 Z979421388 [0,1,0,1,0,0|2,0,0]=4 934 B13R2.223 FC1(CCNC1)C2=CC=CC=C2 Z2009833144 [0,1,0,1,0,0|2,0,0]=4 935 B13R2.223 NC1(CCCC1)C2=CC=CC=C2 Z381654396 [0,1,0,1,0,0|2,0,0]=4 936 B13R2.223 NC1(CCNC1)C2=CC=CC=C2 Z2967366647 [0,1,0,1,0,0|2,0,0]=4 937 B13R2.223 NC1(CCOC1)C2=CC=CC=C2 Z3323267062 [0,1,0,1,0,0|2,0,0]=4 938 B13R2.223 OC1(CCCC1)C2=CC=CC=C2 Z449370860 [0,1,0,1,0,0|1,0,0]=3 939 B13R2.223 OC1(CCNC1)C2=CC=CC=C2 Z3864242940 [0,1,0,1,0,0|1,0,0]=3 940 B13R2.371 CC1CCC(=O)C2=C1C=CC=C2 Z1255449974 [0,1,0,1,0,0|2,0,0]=4 941 B13R2.371 CC1CCC(C2=C1C=CC=C2)N Z1262645009 [0,1,0,1,0,0|2,0,0]=4 942 B13R2.371 NC1CCC(=O)C2=C1C=CC=C2 Z1443588580 [0,1,0,1,0,0|2,0,0]=4 943 B13R2.382 CC1CC1C(N)C2=CC=CC=C2 Z1695797918 [0,1,0,1,0,0|2,0,0]=4 944 B13R2.413 CC1(CCC1N)C2=CC=CC=C2 Z1813195198 [0,1,0,1,0,0|2,0,0]=4 945 B13R2.690 CC(NC1CC1)C2=CC=CC=C2 Z2065464367 [0,1,0,1,0,0|2,0,0]=4 946 B13R2.690 NC(CC1CC1)C2=CC=CC=C2 Z826524146 [0,1,0,1,0,0|2,0,0]=4 947 B13R2.690 OC(CC1CO1)C2=CC=CC=C2 Z1400655261 [0,1,0,1,0,0|1,0,0]=3 948 B13R2.5252 CC1CCCNC2=C1C=CC=C2 Z1262580132 [0,1,0,1,0,0|2,0,0]=4 949 B13R2.5252 CC1CNCCC2=C1C=CC=C2 Z1262566288 [0,1,0,1,0,0|2,0,0]=4 950 B13R2.5252 NC1CCCOC2=C1C=CC=C2 Z382721416 [0,1,0,1,0,0|2,0,0]=4 951 B13R2.5252 OB1OCCCC2=C1C=CC=C2 Z4918189532 [0,1,0,1,0,0|2,0,0]=4 952 B13R2.5252 OC1CCCCC2=C1C=CC=C2 Z228586126 [0,1,0,1,0,0|1,0,0]=3 953 B13R2.5252 O[C@@H]1CCCSC2=C1C=CC=C2 Z1436075942 [0,1,0,1,0,0|1,0,0]=3 954 B13R2.5252 O[C@H]1CCCSC2=C1C=CC=C2 Z1436075943 [0,1,0,1,0,0|1,0,0]=3 955 B13R2.8137 NC(C1=CC=CC=C1)C2CCC2 Z3244520377 [0,1,0,1,0,0|2,0,0]=4 956 B13R2.32 CC1CCC2=C(C1N)C=CC=C2 Z1539988085 [0,1,0,1,0,0|2,0,0]=4 957 B13R2.32 CC1COC2=C(C1O)C=CC=C2 Z1255453699 [0,1,0,1,0,0|1,0,0]=3 958 B13R2.32 NC1C2=C(C=CC=C2)CCC1F Z2791719028 [0,1,0,1,0,0|2,0,0]=4 959 B13R2.32 NC1C2=C(C=CC=C2)OCC1F Z2830459792 [0,1,0,1,0,0|2,0,0]=4 960 B13R2.32 NC1COC2=C(C1O)C=CC=C2 Z2146515656 [0,1,0,1,0,0|1,0,0]=3 961 B13R2.32 N[C@@H]1COC2=C([C@H]1O)C=CC=C2 Z4354027077 [0,1,0,1,0,0|1,0,0]=3 962 B13R2.32 N[C@H]1C2=C(C=CC=C2)CC[C@@H]1O Z3070471251 [0,1,0,1,0,0|2,0,0]=4 963 B13R2.32 N[C@H]1C2=C(C=CC=C2)CC[C@H]1O Z2901813806 [0,1,0,1,0,0|2,0,0]=4 964 B13R2.32 N[C@H]1C2=C(C=CC=C2)OC[C@H]1O Z3212210130 [0,1,0,1,0,0|2,0,0]=4 965 B13R2.45 CN[C@@H]1CC2=C([C@@H]1O)C=CC=C2 Z4657916171 [0,1,0,1,0,0|2,0,0]=4 966 B13R2.45 C[C@H]1C2=C(C=CC=C2)O[C@H]1CN Z2755724050 [0,1,0,1,0,0|2,0,0]=4 967 B13R2.98 C[C@]1(C[C@H]1C2=CC=CC=C2)CN Z2216303059 [0,1,0,1,0,0|2,0,0]=4 968 B13R2.98 C[C@]1(C[C@H]1C2=CC=CC=C2)CO Z2467454648 [0,1,0,1,0,0|2,0,0]=4 969 B13R2.8138 CC(C1=CC=CC=C1)C2(CC2)N Z3576390632 [0,1,0,1,0,0|2,0,0]=4 970 B13R2.238 CC1(CC(C1)N)C2=CC=CC=C2 Z1126749018 [0,1,0,1,0,0|2,0,0]=4 971 B13R2.238 CC1CC(C1)(N)C2=CC=CC=C2 Z4631703126 [0,1,0,1,0,0|2,0,0]=4 972 B13R2.238 N[C@@]1(C[C@@H](C1)O)C2=CC=CC=C2 Z2791095871 [0,1,0,1,0,0|2,0,0]=4 973 B13R2.238 N[C@H]1C[C@](C1)(O)C2=CC=NC=C2 Z5229156075 [0,1,0,1,0,0|2,0,0]=4 974 B13R2.238 N[C@H]1C[C@](C1)(O)C2=CN=CC=C2 Z5219131819 [0,1,0,1,0,0|2,0,0]=4 975 B13R2.3122 CC1(CCCC2=C1C=CC=C2)N Z1258542936 [0,1,0,1,0,0|2,0,0]=4 976 B13R2.3122 CC1(CCNC2=C1C=CC=C2)C Z1255447045 [0,1,0,1,0,0|2,0,0]=4 977 B13R2.3122 CC1(CCOC2=C1C=CC=C2)C Z1255441405 [0,1,0,1,0,0|2,0,0]=4 978 B13R2.3122 CC1(CCOC2=C1C=CC=C2)N Z2896336823 [0,1,0,1,0,0|2,0,0]=4 979 B13R2.423 O=C([O-])C1OC1C2=CC=CC=C2 Z57931417 [0,1,0,1,0,0|1,0,1]=4 980 B13R2.3201 NC1(CC1(F)F)C2=CC=CC=C2 Z1509454599 [0,1,0,1,0,0|1,1,0]=4 981 B13R2.18 BrC1=C(C=CC=C1)C2CCCN2 Z1407007541 [0,1,0,1,0,0|2,0,0]=4 982 B13R2.18 CC1=C(C=CC=C1)C2CCNC2 Z940902788 [0,1,0,1,0,0|2,0,0]=4 983 B13R2.18 ClC1=C(C=CC=C1)C2CCCN2 Z281773778 [0,1,0,1,0,0|2,0,0]=4 984 B13R2.18 FC1=C(C=CC=C1)C2CCNC2 Z1266823224 [0,1,0,1,0,0|2,0,0]=4 985 B13R2.18 IC1=C(C=CC=C1)C2CCCN2 Z281773830 [0,1,0,1,0,0|2,0,0]=4 986 B13R2.18 NC1=C(C=CC=C1)C2CCOC2 Z1486008432 [0,1,0,1,0,0|2,0,0]=4 987 B13R2.18 OC1=C(C=CC=C1)C2C=CCC2 Z56872352 [0,1,0,1,0,0|2,0,0]=4 988 B13R2.216 NC1CC(C1)C2=C(C=CC=C2)Br Z1696091632 [0,1,0,1,0,0|2,0,0]=4 989 B13R2.216 NC1CC(C1)C2=C(C=CC=C2)Cl Z1255523422 [0,1,0,1,0,0|2,0,0]=4 990 B13R2.216 NC1CC(C1)C2=C(C=CC=C2)F Z1259339076 [0,1,0,1,0,0|2,0,0]=4 991 B13R2.216 O[C@H]1C[C@H](C1)C2=C(C=CC=C2)F Z2111077766 [0,1,0,1,0,0|2,0,0]=4 992 B13R2.3569 CC1=C(C=CC=C1)C2(CCC2)N Z2432909424 [0,1,0,1,0,0|2,0,0]=4 993 B13R2.3569 NC1(CCC1)C2=C(C=CC=C2)Br Z2429425748 [0,1,0,1,0,0|2,0,0]=4 994 B13R2.3569 OC1(CCC1)C2=C(C=CC=C2)F Z1302422855 [0,1,0,1,0,0|1,0,0]=3 995 B13R2.3569 OC1(CNC1)C2=C(C=CC=C2)Br Z4178093507 [0,1,0,1,0,0|2,0,0]=4 996 B13R2.3569 OC1(CNC1)C2=C(C=CC=C2)F Z3487915751 [0,1,0,1,0,0|2,0,0]=4 997 B13R2.3570 CC1(CC1N)C2=C(C=CC=C2)Cl Z1250132353 [0,1,0,1,0,0|2,0,0]=4 998 B13R2.3570 CC1(CC1N)C2=C(C=CC=C2)F Z1259162122 [0,1,0,1,0,0|2,0,0]=4 999 B13R2.3570 CC1=C(C=CC=C1)C2(CC2N)C Z1259162043 [0,1,0,1,0,0|2,0,0]=4 1000 B13R2.4818 CC1=C2C(=CC=C1)CCCC2N Z3759811786 [0,1,0,1,0,0|2,0,0]=4 1001 B13R2.4818 CC1=C2C(=CC=C1)OCCC2O Z1486034774 [0,1,0,1,0,0|1,0,0]=3 1002 B13R2.4818 NC1=CC=CC2=C1C(CCC2)N Z2582206107 [0,1,0,1,0,0|2,0,0]=4 1003 B13R2.4818 NC1CCCC2=C1C(=CC=C2)F Z3765009163 [0,1,0,1,0,0|2,0,0]=4 1004 B13R3.1962 C1=CC2=C(C=C1)C3CCC2N3 Z2242191032 [0,0,0,2,0,0|2,0,0]=4 1005 B13R3.28 C1=CC2=C(C=C1)[C@@H]3O[C@@H]3CC2 Z3177279256 [0,0,0,2,0,0|1,0,0]=3 1006 B9R1.11 CCC(N)C1=CC=CS1 Z744593088 [1,0,0,0,1,0|2,0,0]=4 1007 B9R1.11 CCC(O)C1=NC=CN1 Z1889917109 [1,0,0,0,1,0|2,0,0]=4 1008 B9R1.11 NCC(O)C1=COC=C1 Z1198261509 [1,0,0,0,1,0|2,0,0]=4 1009 B9R1.11 NCC(O)C1=CSC=C1 Z330910460 [1,0,0,0,1,0|2,0,0]=4 1010 B9R1.12 NCCCN1C=CC=C1 Z600497510 [1,0,0,0,1,0|2,0,0]=4 1011 B9R1.12 OCCCC1=COC=C1 Z1198265634 [1,0,0,0,1,0|2,0,0]=4 1012 B9R1.12 OCCCC1=CSC=C1 Z993012564 [1,0,0,0,1,0|2,0,0]=4 1013 B13R1.42 CC(CCO)NCC1=CC=CC=C1 Z1241678662 [0,0,0,0,0,2|2,0,0]=4 1014 B13R1.42 CC(CCO)OCC1=CC=CC=C1 Z1806465434 [0,0,0,0,0,2|2,0,0]=4 1015 B13R1.42 CCCC(N)CCC1=CC=CC=C1 Z406453106 [0,0,0,0,0,2|2,0,0]=4 1016 B13R1.42 NCCC(O)CCC1=CC=CC=C1 Z1255452410 [0,0,0,0,0,2|1,0,0]=3