0 B8R0.8 CC(=C)C(=O)OCCBr B589157 [0,0,0,0,0,0|3,0,1]=4 1 B8R0.8 CC(=C)C(=O)OCCCl M140401 [0,0,0,0,0,0|3,0,1]=4 2 B8R0.8 CC(=C)C(=O)OCCN A168938 [0,0,0,0,0,0|3,0,1]=4 3 B8R0.8 CC(=C)C(=O)OCCO H103044 [0,0,0,0,0,0|2,0,1]=3 4 B8R0.8 CC(=C)C(=O)OCCO H140643 [0,0,0,0,0,0|2,0,1]=3 5 B8R0.8 CC(=C)C(=O)OCCO H140644 [0,0,0,0,0,0|2,0,1]=3 6 B8R0.8 CC(=C)C(=O)OCCO H303891 [0,0,0,0,0,0|2,0,1]=3 7 B8R0.8 CC(=C)C(=O)OCCO H434293 [0,0,0,0,0,0|2,0,1]=3 8 B8R0.8 CC(C(=O)NCCO)O N158965 [0,0,0,0,0,0|0,0,0]=0 9 B8R0.8 CCCCC(=O)C(=O)C H106591 [0,0,0,0,0,0|2,0,2]=4 10 B8R0.8 CCCCC(=O)C(C)C M158862 [0,0,0,0,0,0|3,0,0]=3 11 B8R0.8 CCCOC(=O)C(=C)C N338922 [0,0,0,0,0,0|3,0,1]=4 12 B8R0.8 CCCOC(=O)C(C)C P133971 [0,0,0,0,0,0|3,0,0]=3 13 B8R0.8 CCCOC(=O)C(C)O P160122 [0,0,0,0,0,0|2,0,0]=2 14 B7R0.3 C(CC(=O)NN)CO B301222 [1,0,0,0,0,0|3,0,0]=4 15 B7R0.3 C(CC(CO)O)CO P160114 [1,0,0,0,0,0|1,0,2]=4 16 B7R0.3 C=CC(=O)NCCO N159040 [1,0,0,0,0,0|0,0,2]=3 17 B7R0.3 C=CC(=O)OCCO H104535 [1,0,0,0,0,0|1,0,2]=4 18 B7R0.3 CCC(=O)NCCO N158966 [1,0,0,0,0,0|0,0,0]=1 19 B7R0.3 CCCCC(=C)CC E156236 [1,0,0,0,0,0|3,0,0]=4 20 B7R0.3 CCCCC(=O)CC H103766 [1,0,0,0,0,0|2,0,0]=3 21 B7R0.3 CCCCC(=O)OC M108213 [1,0,0,0,0,0|3,0,0]=4 22 B7R0.3 CCCCC(=O)OC M108214 [1,0,0,0,0,0|3,0,0]=4 23 B7R0.3 CCCNC(=O)C=C N404954 [1,0,0,0,0,0|1,0,2]=4 24 B7R0.3 CCCNC(C)CC N158968 [1,0,0,0,0,0|2,0,1]=4 25 B7R0.3 CCCOC(=O)CC P111531 [1,0,0,0,0,0|2,0,0]=3 26 B7R0.3 CCCOC(=O)CC P111532 [1,0,0,0,0,0|2,0,0]=3 27 B7R0.3 COC(=O)CCCBr M158832 [1,0,0,0,0,0|3,0,0]=4 28 B7R0.3 COC(=O)CCCBr M492178 [1,0,0,0,0,0|3,0,0]=4 29 B7R0.3 COC(=O)CCCCl C108118 [1,0,0,0,0,0|3,0,0]=4 30 B7R0.3 COC(=O)CCCI M167258 [1,0,0,0,0,0|3,0,0]=4 31 B7R0.3 COC(=O)CCCN M124081 [1,0,0,0,0,0|3,0,0]=4 32 B7R0.4 CC(C)COCCO E156429 [1,0,0,0,0,0|2,0,1]=4 33 B7R0.4 CC(C)CSCCO I157607 [1,0,0,0,0,0|2,0,1]=4 34 B7R0.4 CC(C)NCCCO I157484 [1,0,0,0,0,0|3,0,0]=4 35 B7R0.4 CC(CCCCO)O H474422 [1,0,0,0,0,0|1,0,1]=3 36 B7R0.4 CC(CNCCN)O N159095 [1,0,0,0,0,0|1,0,1]=3 37 B7R0.4 CCCCCC(C)O H100747 [1,0,0,0,0,0|2,0,1]=4 38 B7R0.4 CCCCCC(C)O I137289 [1,0,0,0,0,0|2,0,1]=4 39 B7R0.4 CCCOCC(C)O P160113 [1,0,0,0,0,0|2,0,1]=4 40 B7R0.5 CC(=C)C(=O)NCO N404587 [1,0,0,0,0,0|1,0,1]=3 41 B7R0.5 CC(C)C(CCO)N A348373 [1,0,0,0,0,0|2,0,1]=4 42 B7R0.5 CCCC(=O)C(=O)C H106696 [1,0,0,0,0,0|1,0,2]=4 43 B7R0.5 CCCC(=O)C(=O)O O159954 [1,0,0,0,0,0|2,0,1]=4 44 B7R0.5 CCOC(=O)C(=C)C E103001 [1,0,0,0,0,0|2,0,1]=4 45 B7R0.5 CCOC(=O)C(=C)C E103002 [1,0,0,0,0,0|2,0,1]=4 46 B7R0.5 CCOC(=O)C(=C)C E492609 [1,0,0,0,0,0|2,0,1]=4 47 B7R0.5 CCOC(=O)C(=O)C E113332 [1,0,0,0,0,0|1,0,2]=4 48 B7R0.5 CCOC(=O)C(Br)Br E331036 [1,0,0,0,0,0|3,0,0]=4 49 B7R0.5 CCOC(=O)C(C)Br E106089 [1,0,0,0,0,0|2,0,0]=3 50 B7R0.5 CCOC(=O)C(C)Br E400066 [1,0,0,0,0,0|2,0,0]=3 51 B7R0.5 CCOC(=O)C(C)C E156123 [1,0,0,0,0,0|2,0,0]=3 52 B7R0.5 CCOC(=O)C(C)Cl E100647 [1,0,0,0,0,0|2,0,0]=3 53 B7R0.5 CCOC(=O)C(C)F E135615 [1,0,0,0,0,0|2,0,0]=3 54 B7R0.5 CCOC(=O)C(C)I E156364 [1,0,0,0,0,0|2,0,0]=3 55 B7R0.5 CCOC(=O)C(C)N A109010 [1,0,0,0,0,0|2,0,0]=3 56 B7R0.5 CCOC(=O)C(C)N A117183 [1,0,0,0,0,0|2,0,0]=3 57 B7R0.5 CCOC(=O)C(C)N D304158 [1,0,0,0,0,0|2,0,0]=3 58 B7R0.5 CCOC(=O)C(C)O E104551 [1,0,0,0,0,0|1,0,0]=2 59 B7R0.5 CCOC(=O)C(C)O E104553 [1,0,0,0,0,0|1,0,0]=2 60 B7R0.5 CCOC(=O)C(C)O E104554 [1,0,0,0,0,0|1,0,0]=2 61 B7R0.5 CCOC(=O)C(C)O E108228 [1,0,0,0,0,0|1,0,0]=2 62 B7R0.5 CCOC(=O)C(C)O E108230 [1,0,0,0,0,0|1,0,0]=2 63 B7R0.5 CCOC(=O)C(C)O E465744 [1,0,0,0,0,0|1,0,0]=2 64 B7R0.5 CCOC(=O)C(C)S E156189 [1,0,0,0,0,0|1,1,0]=3 65 B7R0.5 CCOC(=O)C(Cl)Cl E193802 [1,0,0,0,0,0|3,0,0]=4 66 B7R0.5 CCOC(=O)C(F)Br E102105 [1,0,0,0,0,0|3,0,0]=4 67 B7R0.5 CCOC(=O)C(F)Cl E138797 [1,0,0,0,0,0|3,0,0]=4 68 B7R0.5 CCOC(=O)C(F)F E101733 [1,0,0,0,0,0|3,0,0]=4 69 B7R0.5 CCOC(=O)C(F)F E616466 [1,0,0,0,0,0|3,0,0]=4 70 B7R0.5 CCOC(=O)C(F)I E331038 [1,0,0,0,0,0|3,0,0]=4 71 B9R0.3 CC(C)(C(=O)OCCO)Br H404582 [0,1,0,0,0,0|2,0,0]=3 72 B9R0.7 C(C(=O)O)NC(=O)C(=O)O N341017 [0,1,0,0,0,0|1,0,2]=4 73 B9R0.7 CC(C(=O)NCC(=O)O)N A121374 [0,1,0,0,0,0|1,0,1]=3 74 B9R0.7 CC(C(=O)NCC(=O)O)N D299795 [0,1,0,0,0,0|1,0,1]=3 75 B9R0.7 CC(C(=O)NCC(=O)O)S M106464 [0,1,0,0,0,0|0,1,1]=3 76 B9R0.7 CC(C)C(=O)NCC(=O)O I352817 [0,1,0,0,0,0|1,0,1]=3 77 B9R0.7 CC(C)COC(=O)C(C)C I105925 [0,1,0,0,0,0|3,0,0]=4 78 B9R0.7 CC(C)COC(=O)C(C)O I469449 [0,1,0,0,0,0|2,0,0]=3 79 B9R0.7 CC(CNC(=O)C(=C)C)O N404588 [0,1,0,0,0,0|1,0,1]=3 80 B9R0.7 CC(COC(=O)C(=C)C)O H109880 [0,1,0,0,0,0|2,0,1]=4 81 B9R0.7 CC(S)C(=O)NCC(O)=O T408799 [0,1,0,0,0,0|0,1,1]=3 82 B9R0.8 CCCOC(=O)C(C)CC P160535 [0,1,0,0,0,0|3,0,0]=4 83 B9R0.47 CC(=C)C(=O)NCCCN N129096 [0,1,0,0,0,0|2,0,1]=4 84 B9R0.47 CC(=C)C(=O)OCCOC E102359 [0,1,0,0,0,0|2,0,1]=4 85 B9R0.47 CC(=C)C(=O)OCCOC P109711 [0,1,0,0,0,0|2,0,1]=4 86 B9R0.47 CC(=C)C(=O)OCCOC P432527 [0,1,0,0,0,0|2,0,1]=4 87 B9R0.47 CC(=C)C(=O)OCCOC P432529 [0,1,0,0,0,0|2,0,1]=4 88 B9R0.47 CC(=C)C(=O)OCCOC P432531 [0,1,0,0,0,0|2,0,1]=4 89 B9R0.47 CCCCOC(=O)C(C)C B152857 [0,1,0,0,0,0|3,0,0]=4 90 B9R0.47 CCCCOC(=O)C(C)O B111190 [0,1,0,0,0,0|2,0,0]=3 91 B9R0.47 CCCCOC(=O)C(C)O B303494 [0,1,0,0,0,0|2,0,0]=3 92 B9R1.5 C1CCC(C(=O)CC1)Cl C153943 [0,0,0,1,0,0|3,0,0]=4 93 B9R1.5 C1CCNC(=O)C(C1)N S135609 [0,0,0,1,0,0|2,0,0]=3 94 B9R1.5 C1CCNC(=O)C(C1)N S588137 [0,0,0,1,0,0|2,0,0]=3 95 B9R1.23 CN1CC(CC1=O)CO H176895 [0,0,0,1,0,0|3,0,0]=4 96 B9R1.40 CC1(C(=O)NCCN1)C D175799 [0,0,0,1,0,0|2,0,0]=3 97 B9R1.40 CC1(CCCCC1=O)C D166342 [0,0,0,1,0,0|3,0,0]=4 98 B9R1.69 CC1C(=O)NCC(=O)N1 C184604 [0,0,0,1,0,0|1,0,2]=4 99 B9R0.4 CCCOC(=O)CC(C)C D303979 [0,0,0,0,0,1|3,0,0]=4 100 B6R0.1 C(C(=O)NCO)Cl C169257 [2,0,0,0,0,0|1,0,0]=3 101 B6R0.1 C(CO)C(CO)O B105549 [2,0,0,0,0,0|0,0,2]=4 102 B6R0.1 C(CO)C(CO)O B118474 [2,0,0,0,0,0|0,0,2]=4 103 B6R0.1 C(CO)C(CO)O R472595 [2,0,0,0,0,0|0,0,2]=4 104 B6R0.1 C(CO)C(CO)O S102777 [2,0,0,0,0,0|0,0,2]=4 105 B6R0.1 C=CC(=O)NCO M108949 [2,0,0,0,0,0|0,0,2]=4 106 B6R0.1 C=CC(=O)NCO N492407 [2,0,0,0,0,0|0,0,2]=4 107 B6R0.1 CCC(=O)C=CC E404567 [2,0,0,0,0,0|1,0,1]=4 108 B6R0.1 CCC(=O)C=CC H111425 [2,0,0,0,0,0|1,0,1]=4 109 B6R0.1 CCC(=O)OCC E103457 [2,0,0,0,0,0|1,0,0]=3 110 B6R0.1 CCC(=O)OCC E103458 [2,0,0,0,0,0|1,0,0]=3 111 B6R0.1 CCC(=O)OCC E103459 [2,0,0,0,0,0|1,0,0]=3 112 B6R0.1 CCC(=O)OCC E103460 [2,0,0,0,0,0|1,0,0]=3 113 B6R0.1 CCC(=O)OCC E278958 [2,0,0,0,0,0|1,0,0]=3 114 B6R0.1 CCC(=O)SCC S133123 [2,0,0,0,0,0|1,0,0]=3 115 B6R0.1 CCCC(=O)CC H106710 [2,0,0,0,0,0|1,0,0]=3 116 B6R0.1 CCCC(=O)OC M100038 [2,0,0,0,0,0|2,0,0]=4 117 B6R0.1 CCCC(=O)OC M100039 [2,0,0,0,0,0|2,0,0]=4 118 B6R0.1 CCCC(=O)OC M100040 [2,0,0,0,0,0|2,0,0]=4 119 B6R0.1 CCCC(=O)SC M102997 [2,0,0,0,0,0|2,0,0]=4 120 B6R0.1 CCNC(=O)C=C N136947 [2,0,0,0,0,0|0,0,2]=4 121 B6R0.1 CCOC(=O)CBr E106090 [2,0,0,0,0,0|2,0,0]=4 122 B6R0.1 CCOC(=O)CCl E105166 [2,0,0,0,0,0|2,0,0]=4 123 B6R0.1 CCOC(=O)CCl E105167 [2,0,0,0,0,0|2,0,0]=4 124 B6R0.1 CCOC(=O)CF E107563 [2,0,0,0,0,0|2,0,0]=4 125 B6R0.1 CCOC(=O)CN G105477 [2,0,0,0,0,0|2,0,0]=4 126 B6R0.1 CCOC(=O)CO E101730 [2,0,0,0,0,0|1,0,0]=3 127 B6R0.1 CCOC(=O)CS E109439 [2,0,0,0,0,0|1,1,0]=4 128 B6R0.1 CCOC(=O)OC E110111 [2,0,0,0,0,0|2,0,0]=4 129 B6R0.1 CCOC(=O)OC E433135 [2,0,0,0,0,0|2,0,0]=4 130 B6R0.1 COC(=O)CCBr M158830 [2,0,0,0,0,0|2,0,0]=4 131 B6R0.1 COC(=O)CCN A104532 [2,0,0,0,0,0|2,0,0]=4 132 B6R0.1 COC(=O)CCO D304149 [2,0,0,0,0,0|1,0,0]=3 133 B6R0.1 COC(=O)CCS M107600 [2,0,0,0,0,0|1,1,0]=4 134 B6R0.4 C(C=CC(=O)O)O T341890 [2,0,0,0,0,0|1,0,1]=4 135 B6R0.4 C(CC(=O)O)CBr B106907 [2,0,0,0,0,0|2,0,0]=4 136 B6R0.4 C(CC(=O)O)CCl C134513 [2,0,0,0,0,0|2,0,0]=4 137 B6R0.4 C(CC(=O)O)CN A104200 [2,0,0,0,0,0|2,0,0]=4 138 B6R0.4 C(CC(=O)O)CN A293557 [2,0,0,0,0,0|2,0,0]=4 139 B6R0.4 C(CC(=O)O)CN A424756 [2,0,0,0,0,0|2,0,0]=4 140 B6R0.4 C(CC(=O)O)CN A468499 [2,0,0,0,0,0|2,0,0]=4 141 B6R0.4 C(CC(=O)O)CN A472038 [2,0,0,0,0,0|2,0,0]=4 142 B6R0.4 C(CC(=O)O)CN G276591 [2,0,0,0,0,0|2,0,0]=4 143 B6R0.4 C(CCl)NC(=O)N C153501 [2,0,0,0,0,0|2,0,0]=4 144 B6R0.4 C(CO)NC(=O)N H136122 [2,0,0,0,0,0|1,0,0]=3 145 B6R0.4 CC(=O)CCCBr B345087 [2,0,0,0,0,0|2,0,0]=4 146 B6R0.4 CC(=O)CCCCl C108070 [2,0,0,0,0,0|2,0,0]=4 147 B6R0.4 CC(=O)NCC#N I170553 [2,0,0,0,0,0|1,0,1]=4 148 B6R0.4 CC(=O)NCCN A117219 [2,0,0,0,0,0|1,0,0]=3 149 B6R0.4 CC(=O)NCCO A112970 [2,0,0,0,0,0|0,0,0]=2 150 B6R0.4 CC(=O)NCCO A112971 [2,0,0,0,0,0|0,0,0]=2 151 B6R0.4 CC(=O)NCCS N347842 [2,0,0,0,0,0|0,1,0]=3 152 B6R0.4 CC(=O)OCCBr B102635 [2,0,0,0,0,0|2,0,0]=4 153 B6R0.4 CC(=O)OCCCl A140396 [2,0,0,0,0,0|2,0,0]=4 154 B6R0.4 CC(=O)OCCN A588049 [2,0,0,0,0,0|2,0,0]=4 155 B6R0.4 CC(=O)OCCO H156959 [2,0,0,0,0,0|1,0,0]=3 156 B6R0.4 CC(=O)SCCN T340735 [2,0,0,0,0,0|2,0,0]=4 157 B6R0.4 CC(C)CCCO I136441 [2,0,0,0,0,0|1,0,1]=4 158 B6R0.4 CC(C)NCCN N159348 [2,0,0,0,0,0|2,0,0]=4 159 B6R0.4 CC(C)NCCO I157482 [2,0,0,0,0,0|1,0,0]=3 160 B6R0.4 CC(C)NCCO I431393 [2,0,0,0,0,0|1,0,0]=3 161 B6R0.4 CC(C)OCCO I106814 [2,0,0,0,0,0|2,0,0]=4 162 B6R0.4 CC(CCCO)O P171240 [2,0,0,0,0,0|0,0,1]=3 163 B6R0.4 CCCCC(=O)C H105743 [2,0,0,0,0,0|2,0,0]=4 164 B6R0.4 CCCCC(=O)C H105744 [2,0,0,0,0,0|2,0,0]=4 165 B6R0.4 CCCCC(=O)C H111491 [2,0,0,0,0,0|2,0,0]=4 166 B6R0.4 CCCCC(=O)C H141140 [2,0,0,0,0,0|2,0,0]=4 167 B6R0.4 CCCCC(=O)O V108269 [2,0,0,0,0,0|2,0,0]=4 168 B6R0.4 CCCCC(=O)O V108270 [2,0,0,0,0,0|2,0,0]=4 169 B6R0.4 CCCCC(=O)O V108271 [2,0,0,0,0,0|2,0,0]=4 170 B6R0.4 CCCCC(=O)O V108272 [2,0,0,0,0,0|2,0,0]=4 171 B6R0.4 CCCCC(=O)O V302252 [2,0,0,0,0,0|2,0,0]=4 172 B6R0.4 CCCCC(C)O H105565 [2,0,0,0,0,0|1,0,1]=4 173 B6R0.4 CCCCC(C)O I170762 [2,0,0,0,0,0|1,0,1]=4 174 B6R0.4 CCCCC(C)O R588494 [2,0,0,0,0,0|1,0,1]=4 175 B6R0.4 CCCNC(=O)N P589707 [2,0,0,0,0,0|2,0,0]=4 176 B6R0.4 CCCOC(=O)C P103882 [2,0,0,0,0,0|2,0,0]=4 177 B6R0.4 CCCOC(=O)C P103883 [2,0,0,0,0,0|2,0,0]=4 178 B6R0.4 CCCSC(=O)C S161333 [2,0,0,0,0,0|2,0,0]=4 179 B6R0.4 CCOCC(C)O E110143 [2,0,0,0,0,0|1,0,1]=4 180 B6R0.6 C(CCO)CCO P105588 [2,0,0,0,0,0|1,0,1]=4 181 B6R0.6 C(CNCCO)N H100512 [2,0,0,0,0,0|1,0,1]=4 182 B6R0.6 C(CNCCO)N H100513 [2,0,0,0,0,0|1,0,1]=4 183 B6R0.6 C(CO)NCCCl C588449 [2,0,0,0,0,0|1,0,1]=4 184 B6R0.6 C(CO)NCCO D112357 [2,0,0,0,0,0|0,0,1]=3 185 B6R0.6 C(CO)NCCO D112358 [2,0,0,0,0,0|0,0,1]=3 186 B6R0.6 C(CO)NCCO D112360 [2,0,0,0,0,0|0,0,1]=3 187 B6R0.6 C(CO)NCCO D112361 [2,0,0,0,0,0|0,0,1]=3 188 B6R0.6 C(CO)NCCO D155708 [2,0,0,0,0,0|0,0,1]=3 189 B6R0.6 C(CO)NCCO D301793 [2,0,0,0,0,0|0,0,1]=3 190 B6R0.6 C(COCCO)O D110831 [2,0,0,0,0,0|1,0,1]=4 191 B6R0.6 C(COCCO)O D110832 [2,0,0,0,0,0|1,0,1]=4 192 B6R0.6 C(COCCO)O D110833 [2,0,0,0,0,0|1,0,1]=4 193 B6R0.6 C(COCCO)O D110834 [2,0,0,0,0,0|1,0,1]=4 194 B6R0.6 C(COCCO)O D476199 [2,0,0,0,0,0|1,0,1]=4 195 B6R0.6 CC=CCCCO H300983 [2,0,0,0,0,0|1,0,1]=4 196 B6R0.6 CCC#CCCO H157360 [2,0,0,0,0,0|1,0,1]=4 197 B6R0.6 CCC=CCCO C426965 [2,0,0,0,0,0|1,0,0]=3 198 B6R0.6 CCC=CCCO H112690 [2,0,0,0,0,0|1,0,0]=3 199 B6R0.6 CCC=CCCO L106205 [2,0,0,0,0,0|1,0,0]=3 200 B6R0.6 CCCC=CCO C153482 [2,0,0,0,0,0|2,0,0]=4 201 B6R0.6 CCCC=CCO H102077 [2,0,0,0,0,0|2,0,0]=4 202 B6R0.6 CCCCCCO H103420 [2,0,0,0,0,0|1,0,1]=4 203 B6R0.6 CCCCCCO H103421 [2,0,0,0,0,0|1,0,1]=4 204 B6R0.6 CCCCCCO H103422 [2,0,0,0,0,0|1,0,1]=4 205 B6R0.6 CCCCCCO H103423 [2,0,0,0,0,0|1,0,1]=4 206 B6R0.6 CCCCCCO H119678 [2,0,0,0,0,0|1,0,1]=4 207 B6R0.6 CCCNCCC D100329 [2,0,0,0,0,0|1,0,1]=4 208 B6R0.6 CCCNCCC D100330 [2,0,0,0,0,0|1,0,1]=4 209 B6R0.6 CCCNCCC D154684 [2,0,0,0,0,0|1,0,1]=4 210 B6R0.6 CCCNCCC D404364 [2,0,0,0,0,0|1,0,1]=4 211 B6R0.6 CCCNCCN N336391 [2,0,0,0,0,0|1,0,1]=4 212 B6R0.6 CCCOCCO P107659 [2,0,0,0,0,0|1,0,1]=4 213 B6R0.6 CCCOCCO P299319 [2,0,0,0,0,0|1,0,1]=4 214 B6R0.6 CCNCCCO E300231 [2,0,0,0,0,0|2,0,0]=4 215 B6R0.6 CCOCCCO E108059 [2,0,0,0,0,0|2,0,0]=4 216 B6R0.6 CCSCCCO E300079 [2,0,0,0,0,0|2,0,0]=4 217 B6R0.3 C(C(=O)C(=O)O)O H276063 [2,0,0,0,0,0|1,0,1]=4 218 B6R0.3 CC(=C)C(=O)NC N159439 [2,0,0,0,0,0|1,0,1]=4 219 B6R0.3 CC(=C)C(=O)NC N563684 [2,0,0,0,0,0|1,0,1]=4 220 B6R0.3 CC(C(=O)NC)N L354750 [2,0,0,0,0,0|1,0,0]=3 221 B6R0.3 CC(C(=O)OC)Br M117975 [2,0,0,0,0,0|2,0,0]=4 222 B6R0.3 CC(C(=O)OC)Cl M102467 [2,0,0,0,0,0|2,0,0]=4 223 B6R0.3 CC(C(=O)OC)Cl M110142 [2,0,0,0,0,0|2,0,0]=4 224 B6R0.3 CC(C(=O)OC)Cl M158574 [2,0,0,0,0,0|2,0,0]=4 225 B6R0.3 CC(C(=O)OC)N A100771 [2,0,0,0,0,0|2,0,0]=4 226 B6R0.3 CC(C(=O)OC)N A100815 [2,0,0,0,0,0|2,0,0]=4 227 B6R0.3 CC(C(=O)OC)N A116955 [2,0,0,0,0,0|2,0,0]=4 228 B6R0.3 CC(C(=O)OC)O M132799 [2,0,0,0,0,0|1,0,0]=3 229 B6R0.3 CC(C(=O)OC)O M158257 [2,0,0,0,0,0|1,0,0]=3 230 B6R0.3 CC(C(=O)OC)O M158854 [2,0,0,0,0,0|1,0,0]=3 231 B6R0.3 CC(C(CO)N)O S134976 [2,0,0,0,0,0|1,0,1]=4 232 B6R0.3 CC(C(CO)N)O T117147 [2,0,0,0,0,0|1,0,1]=4 233 B6R0.3 CC(C(CO)O)O B152043 [2,0,0,0,0,0|0,0,2]=4 234 B6R0.3 CC(C)C(=O)OC M100041 [2,0,0,0,0,0|2,0,0]=4 235 B6R0.3 CCC(=O)C(=O)C P106293 [2,0,0,0,0,0|0,0,2]=4 236 B6R0.3 CCC(=O)C(=O)O K106253 [2,0,0,0,0,0|1,0,1]=4 237 B6R0.3 CCC(=O)C(C)C M158840 [2,0,0,0,0,0|1,0,0]=3 238 B6R0.3 CCC(=O)N(C)C D128096 [2,0,0,0,0,0|2,0,0]=4 239 B6R0.3 CN(C)C(=O)CO H587302 [2,0,0,0,0,0|2,0,0]=4 240 B6R0.3 CNC(=O)C(=O)O M588605 [2,0,0,0,0,0|1,0,1]=4 241 B6R0.3 CNC(=O)N(C)C T348049 [2,0,0,0,0,0|2,0,0]=4 242 B8R0.1 CCCC(=O)OCCC P100043 [1,1,0,0,0,0|2,0,0]=4 243 B8R0.1 CCCC(=O)OCCC P100044 [1,1,0,0,0,0|2,0,0]=4 244 B8R0.1 CCCCC(=O)CCC O160045 [1,1,0,0,0,0|2,0,0]=4 245 B8R0.1 CCCCC(=O)OCC E105293 [1,1,0,0,0,0|2,0,0]=4 246 B8R0.1 CCCCC(=O)OCC E105294 [1,1,0,0,0,0|2,0,0]=4 247 B8R0.1 CCCCC(=O)OCC E118465 [1,1,0,0,0,0|2,0,0]=4 248 B8R0.1 CCOC(=O)CCCBr E106908 [1,1,0,0,0,0|2,0,0]=4 249 B8R0.1 CCOC(=O)CCCBr E639064 [1,1,0,0,0,0|2,0,0]=4 250 B8R0.1 CCOC(=O)CCCCl E135072 [1,1,0,0,0,0|2,0,0]=4 251 B8R0.1 CCOC(=O)CCCCl E493598 [1,1,0,0,0,0|2,0,0]=4 252 B8R0.1 CCOC(=O)CCCN E122453 [1,1,0,0,0,0|2,0,0]=4 253 B8R0.1 CCOC(=O)CCC[CH2-] E465916 [1,1,0,0,0,0|2,0,0]=4 254 B8R0.6 CCCCCC(=O)CC O106928 [1,1,0,0,0,0|2,0,0]=4 255 B8R0.6 CCCCCC(=O)CC O106929 [1,1,0,0,0,0|2,0,0]=4 256 B8R0.6 CCCCNC(=O)CCl N193799 [1,1,0,0,0,0|2,0,0]=4 257 B8R0.6 CCCCOC(=O)CC B152863 [1,1,0,0,0,0|2,0,0]=4 258 B8R0.6 CCCCOC(=O)CO B134012 [1,1,0,0,0,0|2,0,0]=4 259 B8R0.6 CCCCOC(=O)CO B493056 [1,1,0,0,0,0|2,0,0]=4 260 B8R0.9 C(C(=O)NCC(=O)O)N D302344 [1,1,0,0,0,0|1,0,1]=4 261 B8R0.9 C(C(=O)NCC(=O)O)N G105429 [1,1,0,0,0,0|1,0,1]=4 262 B8R0.9 C(C(=O)NCC(=O)O)N G119491 [1,1,0,0,0,0|1,0,1]=4 263 B8R0.9 C(C(=O)NCC(=O)O)N G119492 [1,1,0,0,0,0|1,0,1]=4 264 B8R0.9 C(C(=O)NCC(=O)O)N G424736 [1,1,0,0,0,0|1,0,1]=4 265 B8R0.9 C(C(=O)O)NC(=O)CCl N159827 [1,1,0,0,0,0|1,0,1]=4 266 B8R0.9 CCC(=O)CCC(=O)O O165944 [1,1,0,0,0,0|1,0,1]=4 267 B8R0.9 CCC(=O)OCC(C)C I157498 [1,1,0,0,0,0|2,0,0]=4 268 B8R0.11 CCCC=C(CC)C=O E156033 [1,1,0,0,0,0|2,0,0]=4 269 B8R0.19 CCC(C)CC(=O)CC M158857 [1,1,0,0,0,0|2,0,0]=4 270 B8R0.28 CC(CNCC(C)O)O D106370 [1,1,0,0,0,0|0,0,1]=3 271 B8R0.2 CC(C)C(=O)N(C)OC N172116 [1,1,0,0,0,0|2,0,0]=4 272 B8R0.14 CCCC(=O)C(C)(C)C D185098 [1,1,0,0,0,0|2,0,0]=4 273 B8R0.14 CCOC(=O)C(C)(C)Br E104492 [1,1,0,0,0,0|2,0,0]=4 274 B8R0.14 CCOC(=O)C(C)(C)C E137587 [1,1,0,0,0,0|2,0,0]=4 275 B8R0.14 CCOC(=O)C(C)(C)I E156365 [1,1,0,0,0,0|2,0,0]=4 276 B8R0.14 CCOC(=O)C(C)(C)N H182075 [1,1,0,0,0,0|2,0,0]=4 277 B8R0.14 CCOC(=O)C(C)(C)O E111355 [1,1,0,0,0,0|1,0,0]=3 278 B8R0.14 CCOC(=O)C(C)(F)F D419047 [1,1,0,0,0,0|2,0,0]=4 279 B8R0.23 CC(C)C(=O)OC(C)C I157500 [1,1,0,0,0,0|2,0,0]=4 280 B8R0.23 CC(C)CC(=O)C(C)C D154365 [1,1,0,0,0,0|2,0,0]=4 281 B8R0.23 CC(C)NC(=O)C(=C)C I132125 [1,1,0,0,0,0|1,0,1]=4 282 B8R0.23 CC(C)OC(=O)C(C)N A113261 [1,1,0,0,0,0|2,0,0]=4 283 B8R0.23 CC(C)OC(=O)C(C)N D303645 [1,1,0,0,0,0|2,0,0]=4 284 B10R0.28 CC(C)(C)OC(=O)NCCBr I136596 [0,1,0,0,0,1|2,0,0]=4 285 B10R0.28 CC(C)(C)OC(=O)NCCCl N186230 [0,1,0,0,0,1|2,0,0]=4 286 B10R0.28 CC(C)(C)OC(=O)NCCN B113755 [0,1,0,0,0,1|2,0,0]=4 287 B10R0.28 CC(C)(C)OC(=O)NCCN B123469 [0,1,0,0,0,1|2,0,0]=4 288 B10R0.28 CC(C)(C)OC(=O)NCCO B106014 [0,1,0,0,0,1|1,0,0]=3 289 B10R0.28 CC(C)(C)OC(=O)NCCS B340840 [0,1,0,0,0,1|1,1,0]=4 290 B10R0.96 CC(C)CC(=O)NCC(=O)O N132010 [0,1,0,0,0,1|1,0,1]=4 291 B10R0.40 CCC(C)(C)C(=O)OCCO P432412 [0,2,0,0,0,0|2,0,0]=4 292 B10R0.40 CCC(C)(C)C(=O)OCCO P432413 [0,2,0,0,0,0|2,0,0]=4 293 B10R0.40 CCC(C)(C)C(=O)OCCO P478249 [0,2,0,0,0,0|2,0,0]=4 294 B10R0.93 CC(C(=O)NC(C)C(=O)O)N A101173 [0,2,0,0,0,0|1,0,1]=4 295 B10R0.93 CC(C(=O)NC(C)C(=O)O)N A101620 [0,2,0,0,0,0|1,0,1]=4 296 B10R0.93 CC(C(=O)NC(C)C(=O)O)N A113991 [0,2,0,0,0,0|1,0,1]=4 297 B10R0.93 CC(C(=O)NC(C)C(=O)O)N D351355 [0,2,0,0,0,0|1,0,1]=4 298 B10R0.75 CCOCCOC(=O)C(C)C E156218 [0,2,0,0,0,0|2,0,0]=4 299 B10R0.98 CC(C)CCOC(=O)C(C)O I157469 [0,2,0,0,0,0|2,0,0]=4 300 B8R1.1 C1C(CNC1CO)O R176579 [1,0,0,1,0,0|1,0,1]=4 301 B8R1.1 C1C(CNC1CO)O S586151 [1,0,0,1,0,0|1,0,1]=4 302 B8R1.1 C1C(OC(=O)O1)CO G156799 [1,0,0,1,0,0|2,0,0]=4 303 B8R1.1 C1CC(=O)NC1CBr B102457 [1,0,0,1,0,0|1,0,0]=3 304 B8R1.1 C1CC(=O)NC1CBr B102458 [1,0,0,1,0,0|1,0,0]=3 305 B8R1.1 C1CC(=O)NC1CO H103185 [1,0,0,1,0,0|0,0,0]=2 306 B8R1.1 C1CC(=O)NC1CO H103186 [1,0,0,1,0,0|0,0,0]=2 307 B8R1.1 CCC1CCC(=O)O1 C111339 [1,0,0,1,0,0|2,0,0]=4 308 B8R1.2 C1COCC(N1)CO H179128 [1,0,0,1,0,0|1,0,1]=4 309 B8R1.2 C1COCC(N1)CO M178522 [1,0,0,1,0,0|1,0,1]=4 310 B8R1.2 CCC1COCCN1 R186382 [1,0,0,1,0,0|1,0,1]=4 311 B8R1.3 C1C(=O)C=CC(O1)O H192951 [1,0,0,1,0,0|1,0,1]=4 312 B8R1.3 C1CC(=O)CCC1N A194532 [1,0,0,1,0,0|2,0,0]=4 313 B8R1.3 C1CC(=O)CCC1O H190648 [1,0,0,1,0,0|1,0,0]=3 314 B8R1.3 C1CC(=O)NCC1O H191838 [1,0,0,1,0,0|0,0,0]=2 315 B8R1.3 CC1CCC(=O)CC1 M106719 [1,0,0,1,0,0|2,0,0]=4 316 B8R1.3 CC1CCC(=O)CC1 M113653 [1,0,0,1,0,0|2,0,0]=4 317 B8R1.5 C1CC(C(=O)NC1)Br B588801 [1,0,0,1,0,0|2,0,0]=4 318 B8R1.5 C1CC(C(=O)NC1)N A121540 [1,0,0,1,0,0|2,0,0]=4 319 B8R1.5 C1CC(C(=O)NC1)N A121541 [1,0,0,1,0,0|2,0,0]=4 320 B8R1.5 C1CC(C(=O)NC1)N A181382 [1,0,0,1,0,0|2,0,0]=4 321 B8R1.5 C1CC(C(=O)NC1)N I170302 [1,0,0,1,0,0|2,0,0]=4 322 B8R1.5 C1CC(C(=O)NC1)O H191839 [1,0,0,1,0,0|1,0,0]=3 323 B8R1.5 C1CCC(=O)C(C1)O H133366 [1,0,0,1,0,0|2,0,0]=4 324 B8R1.5 CC1C(=O)NCCN1 M168916 [1,0,0,1,0,0|1,0,0]=3 325 B8R1.5 CC1C(=O)NCCN1 R195856 [1,0,0,1,0,0|1,0,0]=3 326 B8R1.5 CC1CCCCC1=O M100791 [1,0,0,1,0,0|2,0,0]=4 327 B8R1.5 CN1CCCNC1=O M493197 [1,0,0,1,0,0|2,0,0]=4 328 B8R1.22 C1CC(=O)CCNC1 H121983 [1,0,0,1,0,0|2,0,0]=4 329 B8R1.22 C1CCC(=O)NCC1 C111698 [1,0,0,1,0,0|1,0,0]=3 330 B8R1.22 C1CCC(=O)NCC1 C111700 [1,0,0,1,0,0|1,0,0]=3 331 B8R1.22 C1CCC(=O)OCC1 C109521 [1,0,0,1,0,0|2,0,0]=4 332 B8R1.22 C1CCC(=O)OCC1 C398060 [1,0,0,1,0,0|2,0,0]=4 333 B8R1.22 C1CCC(=O)OCC1 P299385 [1,0,0,1,0,0|2,0,0]=4 334 B8R1.22 C1CCC(=O)OCC1 P398622 [1,0,0,1,0,0|2,0,0]=4 335 B8R1.22 C1CCC(=O)OCC1 P478241 [1,0,0,1,0,0|2,0,0]=4 336 B8R1.22 C1CCC(=O)OCC1 P485972 [1,0,0,1,0,0|2,0,0]=4 337 B8R1.22 C1CCC(=O)OCC1 P579406 [1,0,0,1,0,0|2,0,0]=4 338 B8R1.22 C1CCC(=S)NCC1 T140461 [1,0,0,1,0,0|1,1,0]=4 339 B8R1.22 C1CCCC(=O)CC1 C111127 [1,0,0,1,0,0|2,0,0]=4 340 B8R1.22 C1COCCNC1=O O189427 [1,0,0,1,0,0|0,0,0]=2 341 B8R1.40 C1CC1NC(=O)CCl C587871 [1,0,0,1,0,0|2,0,0]=4 342 B8R1.50 C1C(C(C(=O)O1)O)O D130853 [1,0,0,1,0,0|1,0,0]=3 343 B8R1.50 CN1C(CCC1=O)O H351403 [1,0,0,1,0,0|2,0,0]=4 344 B8R1.4 C1CC(CC(C1)O)O C113215 [1,0,0,1,0,0|1,0,1]=4 345 B8R1.4 CC1CNCC(O1)C C133540 [1,0,0,1,0,0|1,0,1]=4 346 B8R1.4 CC1CNCC(O1)C D189017 [1,0,0,1,0,0|1,0,1]=4 347 B8R1.4 CC1CNCC(O1)C D490263 [1,0,0,1,0,0|1,0,1]=4 348 B8R1.72 CC1(CCCNC1)O M176551 [1,0,0,1,0,0|1,0,1]=4 349 B8R1.72 CC1(CCCNC1)O M492417 [1,0,0,1,0,0|1,0,1]=4 350 B8R1.18 CC1C(=O)C=C(O1)C D102990 [1,0,0,1,0,0|1,0,1]=4 351 B8R1.37 CCOC(=O)C1CC1 E156138 [1,0,0,1,0,0|2,0,0]=4 352 B8R1.37 CCOC(=O)C1CO1 E138878 [1,0,0,1,0,0|1,0,0]=3 353 B10R1.34 C(C1C(C(C(=O)O1)O)O)O D130873 [0,1,0,1,0,0|1,0,0]=3 354 B10R1.34 C(C1C(C(C(=O)O1)O)O)O D130881 [0,1,0,1,0,0|1,0,0]=3 355 B10R1.211 C1CC1C(=O)NCC(=O)O C335731 [0,1,0,1,0,0|1,0,1]=4 356 B10R1.119 CC1C(C(C(CN1)O)O)O D130957 [0,1,0,1,0,0|1,0,1]=4 357 B10R1.114 CC1(C(CCCC1=O)O)C S161361 [0,1,0,1,0,0|2,0,0]=4