0 B7R0.13 C=CC(C)(O)C(=O)O Z1198182953 [0,0,0,0,0,0|1,0,2]=3 1 B7R0.13 CC(=O)C(C)(C)CO Z1216812592 [0,0,0,0,0,0|3,0,0]=3 2 B7R0.13 CC(Br)(CBr)C(=O)O Z104503534 [0,0,0,0,0,0|2,0,0]=2 3 B7R0.13 CC(C)(C#N)C(=O)O Z426041322 [0,0,0,0,0,0|2,0,1]=3 4 B7R0.13 CC(C)(CF)C(=O)O Z1205495490 [0,0,0,0,0,0|2,0,0]=2 5 B7R0.13 CC(C)(CN)C(=O)N Z431519836 [0,0,0,0,0,0|3,0,0]=3 6 B7R0.13 CC(C)(CN)C(=O)O Z2235387237 [0,0,0,0,0,0|2,0,0]=2 7 B7R0.13 CC(C)(CO)C(=O)O Z997726628 [0,0,0,0,0,0|2,0,0]=2 8 B7R0.13 CC(C)C(C)(N)CO Z2160887261 [0,0,0,0,0,0|3,0,1]=4 9 B7R0.13 CC(N)(CN)C(=O)O Z2050725177 [0,0,0,0,0,0|1,0,0]=1 10 B7R0.13 CC(N)(CO)C(=O)O Z1509051726 [0,0,0,0,0,0|1,0,0]=1 11 B7R0.13 CC(N)(CO)C(F)F Z3487421443 [0,0,0,0,0,0|3,0,1]=4 12 B7R0.13 CC(O)(CO)C(=O)O Z1205493767 [0,0,0,0,0,0|2,0,0]=2 13 B7R0.13 CC(O)C(C)(O)CO Z1896353165 [0,0,0,0,0,0|3,0,1]=4 14 B7R0.13 CCC(C)(Br)C(=O)O Z1198221945 [0,0,0,0,0,0|1,0,0]=1 15 B7R0.13 CCC(C)(C)C(=O)N Z995039228 [0,0,0,0,0,0|2,0,0]=2 16 B7R0.13 CCC(C)(C)C(=O)O Z995036360 [0,0,0,0,0,0|1,0,0]=1 17 B7R0.13 CCC(C)(C)C(C)C Z1198148974 [0,0,0,0,0,0|3,0,1]=4 18 B7R0.13 CCC(C)(C)C(C)N Z1509089498 [0,0,0,0,0,0|3,0,1]=4 19 B7R0.13 CCC(C)(N)C(=O)N Z992716994 [0,0,0,0,0,0|1,0,0]=1 20 B7R0.13 CCC(C)(N)C(=O)O Z317024736 [0,0,0,0,0,0|0,0,0]=0 21 B7R0.13 CCC(C)(O)C(=O)O Z788000964 [0,0,0,0,0,0|1,0,0]=1 22 B7R0.13 CNC(C)(C)C(=O)N Z2230911127 [0,0,0,0,0,0|3,0,0]=3 23 B7R0.13 CNC(C)(C)C(=O)O Z2381576028 [0,0,0,0,0,0|2,0,0]=2 24 B7R0.13 COC(C)(C)C(=O)C Z1216835214 [0,0,0,0,0,0|3,0,0]=3 25 B7R0.13 COC(C)(C)C(=O)O Z803492148 [0,0,0,0,0,0|2,0,0]=2 26 B7R0.13 CSC(C)(C)C(=O)O Z803544000 [0,0,0,0,0,0|2,0,0]=2 27 B7R0.13 NCC(F)(F)C(=O)N Z3006034789 [0,0,0,0,0,0|4,0,0]=4 28 B6R0.3 C=CC(N)C(=O)O Z3244810526 [1,0,0,0,0,0|0,0,2]=3 29 B6R0.3 CC(C#N)C(=O)O Z852759720 [1,0,0,0,0,0|1,0,1]=3 30 B6R0.3 CC(CN)C(=O)O Z431542704 [1,0,0,0,0,0|1,0,0]=2 31 B6R0.3 CC(CO)C(=O)O Z431541400 [1,0,0,0,0,0|1,0,0]=2 32 B6R0.3 CC(O)C(N)CN Z1250080890 [1,0,0,0,0,0|2,0,1]=4 33 B6R0.3 CCC(C)C(=N)N Z823287482 [1,0,0,0,0,0|2,0,0]=3 34 B6R0.3 CCC(C)C(=O)N Z270978420 [1,0,0,0,0,0|1,0,0]=2 35 B6R0.3 CCC(C)C(=O)O Z237374874 [1,0,0,0,0,0|0,0,0]=1 36 B6R0.3 CCC(C)C(C)N Z335455612 [1,0,0,0,0,0|2,0,1]=4 37 B6R0.3 CCC(N)C(=O)O Z104495144 [1,0,0,0,0,0|0,0,0]=1 38 B6R0.3 CCC(N)C(C)C Z823287438 [1,0,0,0,0,0|2,0,1]=4 39 B6R0.3 CCC(O)C(=O)N Z965049008 [1,0,0,0,0,0|2,0,0]=3 40 B6R0.3 CCC(O)C(=O)O Z246073650 [1,0,0,0,0,0|1,0,0]=2 41 B6R0.3 CCC(O)C(C)O Z1251352132 [1,0,0,0,0,0|2,0,1]=4 42 B6R0.3 CCN(C)C(=N)N Z1718490393 [1,0,0,0,0,0|3,0,0]=4 43 B6R0.3 CC[C@@H](N)C(=O)O Z904976986 [1,0,0,0,0,0|0,0,0]=1 44 B6R0.3 CC[C@H](C)C(=O)O Z1205493564 [1,0,0,0,0,0|0,0,0]=1 45 B6R0.3 CC[C@H](N)C(=O)O Z1741965569 [1,0,0,0,0,0|0,0,0]=1 46 B6R0.3 CNC(C)C(=O)O Z1278590830 [1,0,0,0,0,0|1,0,0]=2 47 B6R0.3 CN[C@@H](C)C(=O)N Z2143576643 [1,0,0,0,0,0|2,0,0]=3 48 B6R0.3 COC(C)C(=N)N Z1365534351 [1,0,0,0,0,0|3,0,0]=4 49 B6R0.3 COC(C)C(=O)C Z447898138 [1,0,0,0,0,0|2,0,0]=3 50 B6R0.3 COC(C)C(=O)N Z223645218 [1,0,0,0,0,0|2,0,0]=3 51 B6R0.3 COC(C)C(=O)O Z316258898 [1,0,0,0,0,0|1,0,0]=2 52 B6R0.3 CSC(C)C(=N)N Z5622504221 [1,0,0,0,0,0|3,0,0]=4 53 B6R0.3 CSC(C)C(=O)O Z149191750 [1,0,0,0,0,0|1,0,0]=2 54 B6R0.3 CSC(C)C(C)O Z1273036711 [1,0,0,0,0,0|2,0,1]=4 55 B6R0.3 NC(CO)C(=O)O Z57396986 [1,0,0,0,0,0|1,0,0]=2 56 B6R0.3 NC(CS)C(=O)O Z966690626 [1,0,0,0,0,0|1,0,0]=2 57 B6R0.3 NCC(N)C(=O)O Z2465863279 [1,0,0,0,0,0|1,0,0]=2 58 B6R0.3 NCC(O)C(=O)N Z1889902538 [1,0,0,0,0,0|3,0,0]=4 59 B6R0.3 NC[C@@H](F)C(=O)O Z2695741427 [1,0,0,0,0,0|2,0,0]=3 60 B6R0.3 N[C@@H](CO)C(=O)O Z756440058 [1,0,0,0,0,0|1,0,0]=2 61 B6R0.3 N[C@@H](CS)C(=O)O Z760035162 [1,0,0,0,0,0|1,0,0]=2 62 B6R0.3 N[C@H](CO)C(=O)O Z1070067572 [1,0,0,0,0,0|1,0,0]=2 63 B6R0.3 O=C(O)C(=O)CBr Z1079181768 [1,0,0,0,0,0|2,0,1]=4 64 B6R0.7 CC(=O)C(C)(C)O Z939661728 [1,0,0,0,0,0|2,0,0]=3 65 B6R0.7 CC(C)(Br)C(=O)N Z1255458262 [1,0,0,0,0,0|2,0,0]=3 66 B6R0.7 CC(C)(C)C(=N)N Z56771178 [1,0,0,0,0,0|3,0,0]=4 67 B6R0.7 CC(C)(C)C(=O)N Z56895677 [1,0,0,0,0,0|2,0,0]=3 68 B6R0.7 CC(C)(C)C(=S)N Z278180216 [1,0,0,0,0,0|2,1,0]=4 69 B6R0.7 CC(C)(F)C(=O)O Z1201622349 [1,0,0,0,0,0|1,0,0]=2 70 B6R0.7 CC(C)(N)C(=O)N Z752371206 [1,0,0,0,0,0|1,0,0]=2 71 B6R0.7 CC(C)(N)C(=O)O Z317024776 [1,0,0,0,0,0|0,0,0]=1 72 B6R0.7 CC(C)(O)C(=N)N Z3244745533 [1,0,0,0,0,0|3,0,0]=4 73 B6R0.7 CC(C)C(C)(C)N Z1270446314 [1,0,0,0,0,0|2,0,1]=4 74 B6R0.7 CC(Cl)(Cl)C(=O)O Z1205493591 [1,0,0,0,0,0|2,0,0]=3 75 B6R0.7 CC(O)C(C)(C)N Z3688848535 [1,0,0,0,0,0|1,0,1]=3 76 B6R0.7 O=C(O)C(Cl)(Cl)Cl Z104473288 [1,0,0,0,0,0|3,0,0]=4 77 B6R0.7 O=C(O)C(F)(F)Br Z328621122 [1,0,0,0,0,0|3,0,0]=4 78 B6R0.7 O=C(O)C(F)(F)Cl Z1270446583 [1,0,0,0,0,0|3,0,0]=4 79 B6R0.7 O=C(O)C(F)(F)F Z1834265899 [1,0,0,0,0,0|3,0,0]=4 80 B6R0.8 C#CC(C)(O)CC Z1251192957 [1,0,0,0,0,0|2,0,1]=4 81 B6R0.8 C=CC(C)(N)CC Z3042074270 [1,0,0,0,0,0|1,0,0]=2 82 B6R0.8 CC(C)(CN)CO Z3247605488 [1,0,0,0,0,0|2,0,1]=4 83 B6R0.8 CC(N)(C#N)CO Z2082998957 [1,0,0,0,0,0|1,0,2]=4 84 B6R0.8 CCC(C)(C)C#N Z1079179196 [1,0,0,0,0,0|2,0,1]=4 85 B6R0.8 CCC(C)(C)CO Z995039230 [1,0,0,0,0,0|1,0,1]=3 86 B6R0.8 CCC(C)(C)NC Z335250498 [1,0,0,0,0,0|3,0,0]=4 87 B6R0.8 CCC(C)(N)CC Z1267881628 [1,0,0,0,0,0|1,0,1]=3 88 B6R0.8 CCC(C)(N)CN Z425861002 [1,0,0,0,0,0|1,0,1]=3 89 B6R0.8 CCC(C)(N)CO Z734150850 [1,0,0,0,0,0|0,0,1]=2 90 B6R0.8 CCC(C)(O)CC Z449374480 [1,0,0,0,0,0|2,0,1]=4 91 B6R0.8 CCC(C)(O)CN Z419085064 [1,0,0,0,0,0|2,0,1]=4 92 B6R0.8 CNC(C)(C)CO Z425727892 [1,0,0,0,0,0|2,0,1]=4 93 B6R0.8 COC(C)(C)CO Z1255430497 [1,0,0,0,0,0|2,0,1]=4 94 B8R0.12 CC(C)(CCN)C(=O)O Z1198151185 [0,1,0,0,0,0|1,0,0]=2 95 B8R0.12 CC(C)(CCO)C(=O)[O-] Z2939606946 [0,1,0,0,0,0|1,0,1]=3 96 B8R0.12 CC(N)(CCF)C(=O)O Z2509305784 [0,1,0,0,0,0|0,0,0]=1 97 B8R0.12 CCCC(C)(C)C(=O)N Z1198157529 [0,1,0,0,0,0|2,0,0]=3 98 B8R0.12 CCCC(C)(N)C(=O)O Z317024732 [0,1,0,0,0,0|0,0,0]=1 99 B8R0.12 CCCC(C)(O)C(=O)O Z788000960 [0,1,0,0,0,0|1,0,0]=2 100 B8R0.12 CCNC(C)(C)C(=O)O Z1259161934 [0,1,0,0,0,0|1,0,0]=2 101 B8R0.12 COCC(C)(C)C(=N)N Z2805865778 [0,1,0,0,0,0|3,0,0]=4 102 B8R0.12 COCC(C)(C)C(=O)O Z1198275672 [0,1,0,0,0,0|1,0,0]=2 103 B8R0.12 COCC(C)(N)C(=O)N Z1267773731 [0,1,0,0,0,0|1,0,0]=2 104 B8R0.12 COCC(C)(N)C(=O)O Z1346385711 [0,1,0,0,0,0|0,0,0]=1 105 B8R0.12 COCC(C)(O)C(=O)O Z992448466 [0,1,0,0,0,0|1,0,0]=2 106 B8R0.12 CSCC(C)(C)C(=O)O Z1205494330 [0,1,0,0,0,0|1,0,0]=2 107 B8R0.12 NCCC(F)(F)C(=O)O Z2310718931 [0,1,0,0,0,0|2,0,0]=3 108 B8R0.13 CCC(C)(N)C(=O)OC Z992717124 [0,1,0,0,0,0|0,0,0]=1 109 B8R0.13 CNC(=O)C(C)(C)CN Z878097856 [0,1,0,0,0,0|3,0,0]=4 110 B8R0.13 COC(=O)C(C)(C)C#N Z426040992 [0,1,0,0,0,0|2,0,1]=4 111 B8R0.13 COC(=O)C(C)(C)CN Z1415893842 [0,1,0,0,0,0|2,0,0]=3 112 B8R0.17 CCC(C)(N)C(F)(F)F Z1267773685 [0,1,0,0,0,0|2,0,1]=4 113 B8R0.36 CCC(C)(C#N)C(=O)N Z1203583967 [0,1,0,0,0,0|1,0,1]=3 114 B8R0.36 CCC(C)(C#N)C(=O)O Z1205494421 [0,1,0,0,0,0|0,0,1]=2 115 B8R0.36 CCC(C)(CN)C(=O)N Z1473854538 [0,1,0,0,0,0|1,0,0]=2 116 B8R0.36 CCC(C)(CN)C(=O)O Z2855347040 [0,1,0,0,0,0|0,0,0]=1 117 B8R0.36 CCC(C)(CN)C(C)O Z1259285407 [0,1,0,0,0,0|1,0,1]=3 118 B8R0.36 CCC(C)(NC)C(=O)O Z4462826616 [0,1,0,0,0,0|0,0,0]=1 119 B8R0.36 CCC(N)(CC)C(=O)N Z1262250884 [0,1,0,0,0,0|1,0,0]=2 120 B8R0.36 CCC(N)(CC)C(C)C Z449374562 [0,1,0,0,0,0|2,0,1]=4 121 B8R0.36 COC(C)(OC)C(=O)C Z240126824 [0,1,0,0,0,0|3,0,0]=4 122 B8R0.37 CC(C)(C(=O)N)C(=O)O Z1198174895 [0,1,0,0,0,0|2,0,1]=4 123 B8R0.37 CC(C)(C(=O)O)C(F)F Z1205656337 [0,1,0,0,0,0|2,0,0]=3 124 B8R0.37 CC(C)C(C)(C)C(=O)O Z1198160164 [0,1,0,0,0,0|1,0,0]=2 125 B8R0.37 CC(C)C(C)(O)C(=O)O Z991569008 [0,1,0,0,0,0|1,0,0]=2 126 B8R0.37 CC(C)C(F)(F)C(=O)[O-] Z4020198961 [0,1,0,0,0,0|2,0,1]=4 127 B8R0.37 CC(N)(C(=O)O)C(=O)O Z4968335428 [0,1,0,0,0,0|1,0,1]=3 128 B8R0.37 CC(N)(C(=O)O)C(F)F Z3185477658 [0,1,0,0,0,0|1,0,0]=2 129 B8R0.37 CC(O)(C(=O)[O-])C(F)F Z4510561429 [0,1,0,0,0,0|2,0,1]=4 130 B8R0.37 CC(O)C(C)(N)C(=O)O Z2768110660 [0,1,0,0,0,0|0,0,0]=1 131 B8R0.37 CC(O)C(C)(O)C(=O)O Z1205494313 [0,1,0,0,0,0|1,0,0]=2 132 B8R0.37 CC(O)C(C)(O)C(C)O Z1896353427 [0,1,0,0,0,0|2,0,1]=4 133 B8R0.37 CN(C)C(C)(C)C(=O)O Z1431002715 [0,1,0,0,0,0|2,0,0]=3 134 B8R1.19 CC1(CCCC1=O)C Z1238544226 [0,0,0,1,0,0|2,0,0]=3 135 B8R1.19 CC1(CCNC1=O)C Z1201628732 [0,0,0,1,0,0|2,0,0]=3 136 B8R1.19 CC1(CCNC1=O)N Z2718904456 [0,0,0,1,0,0|1,0,0]=2 137 B8R1.19 CC1(CCOC1=O)C Z1255431712 [0,0,0,1,0,0|1,0,0]=2 138 B8R1.19 CC1(CCOC1=O)N Z1509069031 [0,0,0,1,0,0|0,0,0]=1 139 B8R1.19 CC1(COCC1=O)C Z1513611826 [0,0,0,1,0,0|3,0,0]=4 140 B8R1.19 CC1(NCCC1=O)C Z3235143689 [0,0,0,1,0,0|3,0,0]=4 141 B8R1.19 CC1CCCC1(C)N Z1509036056 [0,0,0,1,0,0|2,0,1]=4 142 B8R1.19 C[C@]1(CCC[C@H]1O)O Z3037315217 [0,0,0,1,0,0|2,0,1]=4 143 B8R1.28 CCC(C)(N)C1CC1 Z2525153713 [0,0,0,1,0,0|2,0,1]=4 144 B8R1.30 C[C@@H]1C[C@]1(N)C(=O)O Z4134701167 [0,0,0,1,0,0|0,0,0]=1 145 B8R1.63 C#CC1(CC1)C(=O)O Z1205656207 [0,0,0,1,0,0|1,0,2]=4 146 B8R1.63 CNC1(CC1)C(=O)O Z3022016916 [0,0,0,1,0,0|2,0,0]=3 147 B8R1.63 COC1(CC1)C(=O)O Z1205494389 [0,0,0,1,0,0|2,0,0]=3 148 B8R1.63 N#CC1(CC1)C(=O)O Z825761122 [0,0,0,1,0,0|2,0,1]=4 149 B8R1.63 NC(=O)C1(CC1)CO Z1201626390 [0,0,0,1,0,0|3,0,0]=4 150 B8R1.63 NCC1(CC1)C(=O)O Z2234185648 [0,0,0,1,0,0|2,0,0]=3 151 B8R1.63 O=C(O)C1(CC1)CO Z1205494853 [0,0,0,1,0,0|2,0,0]=3 152 B8R1.63 O=CC1(CC1)C(=O)O Z1205496088 [0,0,0,1,0,0|2,0,1]=4 153 B8R1.78 CC(C)C1(CCN1)C Z4320914554 [0,0,0,1,0,0|2,0,1]=4 154 B8R1.78 CC1(CCC1)C(=O)O Z1205493900 [0,0,0,1,0,0|1,0,0]=2 155 B8R1.78 CC1(CNC1)C(=O)N Z2378828635 [0,0,0,1,0,0|3,0,0]=4 156 B8R1.78 CC1(CNC1)C(=O)O Z3071128920 [0,0,0,1,0,0|2,0,0]=3 157 B8R1.78 CC1(COC1)C(=O)O Z1198234535 [0,0,0,1,0,0|2,0,0]=3 158 B8R1.78 NC(=O)C1(CCC1)N Z1483991927 [0,0,0,1,0,0|1,0,0]=2 159 B8R1.78 NC(=O)C1(CNC1)N Z1262579255 [0,0,0,1,0,0|2,0,0]=3 160 B8R1.78 NC(=O)C1(CNC1)O Z2680628867 [0,0,0,1,0,0|3,0,0]=4 161 B8R1.78 NC1(CCC1)C(=O)O Z1431905448 [0,0,0,1,0,0|0,0,0]=1 162 B8R1.78 NC1(CNC1)C(=O)O Z2867454580 [0,0,0,1,0,0|1,0,0]=2 163 B8R1.78 O=C(O)C1(CCC1)Br Z220564362 [0,0,0,1,0,0|1,0,0]=2 164 B8R1.78 O=C(O)C1(CCC1)O Z220564366 [0,0,0,1,0,0|1,0,0]=2 165 B8R1.78 O=C(O)C1(CNC1)O Z2630949328 [0,0,0,1,0,0|2,0,0]=3 166 B8R0.34 C=CC(C)(C)CC(=O)O Z1198162637 [0,0,0,0,0,1|1,0,2]=4 167 B8R0.34 CC(=O)NC(C)(C)CO Z68299519 [0,0,0,0,0,1|3,0,0]=4 168 B8R0.34 CC(C)(C#N)CC(=O)O Z1205494237 [0,0,0,0,0,1|2,0,1]=4 169 B8R0.34 CC(C)(CN)CC(=O)O Z1723849148 [0,0,0,0,0,1|2,0,0]=3 170 B8R0.34 CC(O)(CN)CC(=O)O Z2379087949 [0,0,0,0,0,1|2,0,0]=3 171 B8R0.34 CCC(C)(C)CC(=O)O Z1198160089 [0,0,0,0,0,1|1,0,0]=2 172 B8R0.34 CCC(C)(C)OC(=O)C Z1198150536 [0,0,0,0,0,1|2,0,0]=3 173 B8R0.34 CCS(=O)(=O)CC(=O)O Z295402464 [0,0,0,0,0,1|3,0,0]=4 174 B8R0.34 COC(C)(C)CC(=O)O Z1205494411 [0,0,0,0,0,1|2,0,0]=3 175 B5R0.1 C#CCC(=O)O Z295890060 [2,0,0,0,0,0|0,0,2]=4 176 B5R0.1 C/C=C/C(=O)O Z104476026 [2,0,0,0,0,0|0,0,2]=4 177 B5R0.1 CC(=O)CCO Z906206900 [2,0,0,0,0,0|2,0,0]=4 178 B5R0.1 CCCC(=N)N Z1198394172 [2,0,0,0,0,0|2,0,0]=4 179 B5R0.1 CCCC(=O)N Z33546461 [2,0,0,0,0,0|1,0,0]=3 180 B5R0.1 CCCC(=O)O Z104495380 [2,0,0,0,0,0|0,0,0]=2 181 B5R0.1 CCOC(=O)N Z33546369 [2,0,0,0,0,0|2,0,0]=4 182 B5R0.1 CNCC(=O)N Z415678308 [2,0,0,0,0,0|2,0,0]=4 183 B5R0.1 CNCC(=O)O Z104480276 [2,0,0,0,0,0|1,0,0]=3 184 B5R0.1 COCC(=O)N Z33546778 [2,0,0,0,0,0|2,0,0]=4 185 B5R0.1 COCC(=O)O Z104477404 [2,0,0,0,0,0|1,0,0]=3 186 B5R0.1 CSCC(=O)N Z33545668 [2,0,0,0,0,0|2,0,0]=4 187 B5R0.1 N#CCC(=O)O Z104476112 [2,0,0,0,0,0|1,0,1]=4 188 B5R0.1 NC(=O)CCO Z431951940 [2,0,0,0,0,0|2,0,0]=4 189 B5R0.1 NCCC(=O)N Z415728050 [2,0,0,0,0,0|2,0,0]=4 190 B5R0.1 NCCC(=O)O Z57127544 [2,0,0,0,0,0|1,0,0]=3 191 B5R0.1 NOCC(=O)O Z90662171 [2,0,0,0,0,0|2,0,0]=4 192 B5R0.1 O=C(O)CCCl Z203045320 [2,0,0,0,0,0|1,0,0]=3 193 B5R0.1 O=C(O)CCS Z104474322 [2,0,0,0,0,0|1,0,0]=3 194 B5R0.1 O=C(O)CNO Z1205493750 [2,0,0,0,0,0|2,0,0]=4 195 B5R0.3 C=CC(N)CO Z2146514374 [2,0,0,0,0,0|2,0,0]=4 196 B5R0.3 CC(CN)CO Z406342068 [2,0,0,0,0,0|1,0,1]=4 197 B5R0.3 CC(CO)CS Z1262475362 [2,0,0,0,0,0|1,0,1]=4 198 B5R0.3 CC/C(=N/O)/N Z241067842 [2,0,0,0,0,0|1,0,1]=4 199 B5R0.3 CCC(C)CN Z2350903977 [2,0,0,0,0,0|1,0,1]=4 200 B5R0.3 CCC(C)NC Z594038230 [2,0,0,0,0,0|2,0,0]=4 201 B5R0.3 CCC(N)C#N Z445129502 [2,0,0,0,0,0|1,0,1]=4 202 B5R0.3 CCC(N)CN Z1263714131 [2,0,0,0,0,0|1,0,1]=4 203 B5R0.3 CCC(N)CO Z104474862 [2,0,0,0,0,0|0,0,1]=3 204 B5R0.3 CCC(O)CO Z600450538 [2,0,0,0,0,0|1,0,1]=4 205 B5R0.3 CCN(C)C=O Z1258520870 [2,0,0,0,0,0|1,0,0]=3 206 B5R0.3 CCN(C)N=O Z1198147516 [2,0,0,0,0,0|2,0,0]=4 207 B5R0.3 CC[C@@H](N)C#N Z1203638467 [2,0,0,0,0,0|1,0,1]=4 208 B5R0.3 CC[C@@H](N)CO Z1203162359 [2,0,0,0,0,0|0,0,1]=3 209 B5R0.3 CC[C@H](N)CO Z1203162358 [2,0,0,0,0,0|0,0,1]=3 210 B5R0.3 COC(C)CO Z1198150719 [2,0,0,0,0,0|1,0,1]=4 211 B5R0.3 CSC(C)CO Z1273053291 [2,0,0,0,0,0|1,0,1]=4 212 B5R0.3 NC(CO)CO Z1203577940 [2,0,0,0,0,0|1,0,1]=4 213 B5R0.5 CC(=O)C(=O)O Z104495240 [2,0,0,0,0,0|1,0,1]=4 214 B5R0.5 CC(=O)C(C)N Z1263529525 [2,0,0,0,0,0|1,0,0]=3 215 B5R0.5 CC(Br)C(=O)O Z57127555 [2,0,0,0,0,0|1,0,0]=3 216 B5R0.5 CC(C)C(=N)N Z381357616 [2,0,0,0,0,0|2,0,0]=4 217 B5R0.5 CC(C)C(=O)N Z57046209 [2,0,0,0,0,0|1,0,0]=3 218 B5R0.5 CC(C)C(=O)O Z104473380 [2,0,0,0,0,0|0,0,0]=2 219 B5R0.5 CC(C)[N+](=O)[O-] Z104474978 [2,0,0,0,0,0|1,0,1]=4 220 B5R0.5 CC(Cl)C(=O)N Z56924427 [2,0,0,0,0,0|2,0,0]=4 221 B5R0.5 CC(Cl)C(=O)O Z147646840 [2,0,0,0,0,0|1,0,0]=3 222 B5R0.5 CC(N)C(=O)N Z54749436 [2,0,0,0,0,0|1,0,0]=3 223 B5R0.5 CC(N)C(=O)O Z57396987 [2,0,0,0,0,0|0,0,0]=2 224 B5R0.5 CC(O)C(=O)N Z57206008 [2,0,0,0,0,0|2,0,0]=4 225 B5R0.5 CC(S)C(=O)O Z104477082 [2,0,0,0,0,0|1,0,0]=3 226 B5R0.5 C[C@@H](N)C(=O)O Z802692914 [2,0,0,0,0,0|0,0,0]=2 227 B5R0.5 C[C@H](N)C(=O)N Z359371050 [2,0,0,0,0,0|1,0,0]=3 228 B5R0.5 C[C@H](N)C(=O)O Z756424912 [2,0,0,0,0,0|0,0,0]=2 229 B5R0.5 O=C(O)C(Cl)Cl Z104476414 [2,0,0,0,0,0|2,0,0]=4 230 B5R0.5 O=C(O)C(F)F Z104474070 [2,0,0,0,0,0|2,0,0]=4 231 B5R0.4 C=CC(C)(C)N Z2940715337 [2,0,0,0,0,0|1,0,0]=3 232 B5R0.4 CC(C)(C)CO Z397587176 [2,0,0,0,0,0|1,0,1]=4 233 B5R0.4 CC(C)(N)C#N Z57176535 [2,0,0,0,0,0|1,0,1]=4 234 B5R0.4 CC(C)(N)CN Z1266854946 [2,0,0,0,0,0|1,0,1]=4 235 B5R0.4 CC(C)(O)CO Z600454414 [2,0,0,0,0,0|1,0,1]=4 236 B5R0.4 CCC(C)(C)N Z104480062 [2,0,0,0,0,0|0,0,1]=3 237 B5R0.4 CCC(C)(C)O Z104473496 [2,0,0,0,0,0|1,0,0]=3 238 B5R0.4 CCS(=O)(=O)N Z54886646 [2,0,0,0,0,0|2,0,0]=4 239 B7R0.5 C#CCC(N)C(=O)N Z1203582923 [1,1,0,0,0,0|1,0,1]=4 240 B7R0.5 C/C=C/C(O)C(=O)O Z2515207189 [1,1,0,0,0,0|1,0,1]=4 241 B7R0.5 C=CCC(N)C(=O)O Z317024964 [1,1,0,0,0,0|0,0,1]=3 242 B7R0.5 C=CC[C@@H](N)C(=O)O Z1374884973 [1,1,0,0,0,0|0,0,1]=3 243 B7R0.5 CC(CCN)C(=O)O Z2298167292 [1,1,0,0,0,0|0,0,0]=2 244 B7R0.5 CC(CCN)S(=O)C Z1431460424 [1,1,0,0,0,0|2,0,0]=4 245 B7R0.5 CC(NC=O)C(=O)O Z56757230 [1,1,0,0,0,0|1,0,1]=4 246 B7R0.5 CCCC(C)C(=O)O Z104477112 [1,1,0,0,0,0|0,0,0]=2 247 B7R0.5 CCCC(N)C(=O)O Z317024724 [1,1,0,0,0,0|0,0,0]=2 248 B7R0.5 CCC[C@@H](N)C(=O)O Z763365012 [1,1,0,0,0,0|0,0,0]=2 249 B7R0.5 CCC[C@H](N)C(=O)O Z1033300662 [1,1,0,0,0,0|0,0,0]=2 250 B7R0.5 CCNC(C)C(=O)O Z3181996310 [1,1,0,0,0,0|0,0,0]=2 251 B7R0.5 CCOC(C)C(=N)N Z1268703736 [1,1,0,0,0,0|2,0,0]=4 252 B7R0.5 CCOC(C)C(=O)O Z316258934 [1,1,0,0,0,0|0,0,0]=2 253 B7R0.5 CCSC(C)C(=N)N Z1483957022 [1,1,0,0,0,0|2,0,0]=4 254 B7R0.5 CNCC(C)C(=O)O Z1270387301 [1,1,0,0,0,0|0,0,0]=2 255 B7R0.5 COCC(C)C(=O)O Z431541094 [1,1,0,0,0,0|0,0,0]=2 256 B7R0.5 COCC(N)C(=O)O Z1613478163 [1,1,0,0,0,0|0,0,0]=2 257 B7R0.5 CSCC(C)C(=O)O Z732206684 [1,1,0,0,0,0|0,0,0]=2 258 B7R0.5 CSCC(N)C(=O)O Z317025996 [1,1,0,0,0,0|0,0,0]=2 259 B7R0.5 NC(CCF)C(=O)O Z2470036329 [1,1,0,0,0,0|0,0,0]=2 260 B7R0.5 NC(CCO)C(=O)O Z234896487 [1,1,0,0,0,0|0,0,0]=2 261 B7R0.5 NCCC(F)C(=O)O Z3235903750 [1,1,0,0,0,0|1,0,0]=3 262 B7R0.5 NCC[C@H](N)C(=O)O Z1741978716 [1,1,0,0,0,0|0,0,0]=2 263 B7R0.5 NCC[C@H](O)C(=O)O Z1203578154 [1,1,0,0,0,0|1,0,0]=3 264 B7R0.5 N[C@@H](CCO)C(=O)O Z1172369006 [1,1,0,0,0,0|0,0,0]=2 265 B7R0.5 N[C@H](CCO)C(=O)O Z608345098 [1,1,0,0,0,0|0,0,0]=2 266 B7R0.10 CCC(C)C(=N)OC Z975823972 [1,1,0,0,0,0|1,0,0]=3 267 B7R0.10 CCC(C)C(=O)CN Z4526173679 [1,1,0,0,0,0|1,0,0]=3 268 B7R0.10 CCC(C)C(N)CO Z1255523308 [1,1,0,0,0,0|1,0,1]=4 269 B7R0.10 CCC(C)C(O)CC Z1138194601 [1,1,0,0,0,0|1,0,1]=4 270 B7R0.10 CCC(C)C(O)CN Z802901690 [1,1,0,0,0,0|1,0,1]=4 271 B7R0.10 CCC(N)C(=O)NC Z1449756338 [1,1,0,0,0,0|1,0,0]=3 272 B7R0.10 CCN(C)C(=O)CN Z409025350 [1,1,0,0,0,0|2,0,0]=4 273 B7R0.10 CCN(C)C(=O)NC Z1042069854 [1,1,0,0,0,0|2,0,0]=4 274 B7R0.10 CNC(=O)C(C)CN Z2079695013 [1,1,0,0,0,0|2,0,0]=4 275 B7R0.10 CNC(=O)C(N)CO Z1203584884 [1,1,0,0,0,0|2,0,0]=4 276 B7R0.10 COC(=O)C(C)CN Z1357902409 [1,1,0,0,0,0|1,0,0]=3 277 B7R0.10 COC(=O)C(C)SC Z821313006 [1,1,0,0,0,0|1,0,0]=3 278 B7R0.10 COC(=O)C(N)CF Z1255489945 [1,1,0,0,0,0|1,0,0]=3 279 B7R0.10 COC(=O)C(N)CO Z104479480 [1,1,0,0,0,0|1,0,0]=3 280 B7R0.10 COC(=O)C(N)CS Z56917374 [1,1,0,0,0,0|1,0,0]=3 281 B7R0.10 COC(=O)[C@@H](F)CN Z2830704461 [1,1,0,0,0,0|2,0,0]=4 282 B7R0.10 COC(=O)[C@@H](N)CS Z1741970632 [1,1,0,0,0,0|1,0,0]=3 283 B7R0.10 COC(=O)[C@@H](O)CN Z1540004832 [1,1,0,0,0,0|2,0,0]=4 284 B7R0.14 CCC(N)C(C)(C)O Z2216302967 [1,1,0,0,0,0|1,0,1]=4 285 B7R0.15 CCC(C#N)C(=O)O Z1117899421 [1,1,0,0,0,0|0,0,1]=3 286 B7R0.15 CCC(CC)C(=N)N Z3221365874 [1,1,0,0,0,0|2,0,0]=4 287 B7R0.15 CCC(CC)C(=O)N Z365255920 [1,1,0,0,0,0|1,0,0]=3 288 B7R0.15 CCC(CC)C(=S)N Z336081440 [1,1,0,0,0,0|1,1,0]=4 289 B7R0.15 CCC(CO)C(=O)[O-] Z2442085377 [1,1,0,0,0,0|0,0,1]=3 290 B7R0.15 CCC(NC)C(=O)O Z818727142 [1,1,0,0,0,0|0,0,0]=2 291 B7R0.15 CCC(OC)C(=O)O Z449367058 [1,1,0,0,0,0|0,0,0]=2 292 B7R0.15 CCC(SC)C(=O)O Z732206700 [1,1,0,0,0,0|0,0,0]=2 293 B7R0.15 CCN(OC)C(=O)C Z1689168852 [1,1,0,0,0,0|2,0,0]=4 294 B7R0.15 CNC(CN)C(=O)O Z1982493964 [1,1,0,0,0,0|1,0,0]=3 295 B7R0.15 COC(CN)C(=O)O Z1603778808 [1,1,0,0,0,0|1,0,0]=3 296 B7R0.15 COC(OC)C(=O)N Z56754520 [1,1,0,0,0,0|2,0,0]=4 297 B7R0.15 NCC(CN)C(=O)O Z5183354524 [1,1,0,0,0,0|1,0,0]=3 298 B7R0.16 CC(=O)C(C)C(=O)C Z56943775 [1,1,0,0,0,0|1,0,1]=4 299 B7R0.16 CC(=O)C(N)C(=O)C Z360059858 [1,1,0,0,0,0|1,0,1]=4 300 B7R0.16 CC(C(=O)N)N(C)C Z4968292210 [1,1,0,0,0,0|2,0,0]=4 301 B7R0.16 CC(C(=O)O)C(=O)O Z787653408 [1,1,0,0,0,0|1,0,1]=4 302 B7R0.16 CC(C)C(Br)C(=O)O Z203888738 [1,1,0,0,0,0|1,0,0]=3 303 B7R0.16 CC(C)C(C)C(=O)O Z756391682 [1,1,0,0,0,0|0,0,0]=2 304 B7R0.16 CC(C)C(Cl)C(=O)O Z336080700 [1,1,0,0,0,0|1,0,0]=3 305 B7R0.16 CC(C)C(N)C(=O)N Z1266823200 [1,1,0,0,0,0|1,0,0]=3 306 B7R0.16 CC(C)C(N)C(=O)O Z57127382 [1,1,0,0,0,0|0,0,0]=2 307 B7R0.16 CC(C)C(S)C(=O)O Z808230896 [1,1,0,0,0,0|1,0,0]=3 308 B7R0.16 CC(C)[C@@H](N)C(=O)N Z1198153018 [1,1,0,0,0,0|1,0,0]=3 309 B7R0.16 CC(C)[C@@H](N)C(=O)O Z813018028 [1,1,0,0,0,0|0,0,0]=2 310 B7R0.16 CC(C)[C@H](N)C(=O)O Z756430564 [1,1,0,0,0,0|0,0,0]=2 311 B7R0.16 CC(N)C(C)C(=O)O Z1198162847 [1,1,0,0,0,0|0,0,0]=2 312 B7R0.16 CC(O)C(C)C(=O)O Z982137146 [1,1,0,0,0,0|0,0,0]=2 313 B7R0.16 C[C@@H](C(=O)O)N(C)C Z1350606494 [1,1,0,0,0,0|1,0,0]=3 314 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O Z1201618669 [1,1,0,0,0,0|0,0,0]=2 315 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O Z813019058 [1,1,0,0,0,0|0,0,0]=2 316 B7R0.16 C[C@H](C(=O)O)N(C)C Z1205493968 [1,1,0,0,0,0|1,0,0]=3 317 B7R0.16 C[C@H](O)[C@H](N)C(=O)O Z1162448524 [1,1,0,0,0,0|0,0,0]=2 318 B7R0.17 CC(C)(N)C(C)(C)O Z2738358101 [1,1,0,0,0,0|1,0,1]=4 319 B7R0.17 CC(C)(N)P(=O)(O)O Z57033887 [1,1,0,0,0,0|1,0,0]=3 320 B7R0.11 CC(C)(CO)CCN Z2234185673 [1,1,0,0,0,0|1,0,1]=4 321 B7R0.11 CC(O)(CO)CCO Z1238572721 [1,1,0,0,0,0|1,0,1]=4 322 B7R0.11 CCC(C)(C)CCO Z1198160090 [1,1,0,0,0,0|1,0,1]=4 323 B7R0.11 CCC(C)(N)COC Z4185518785 [1,1,0,0,0,0|0,0,1]=3 324 B7R0.11 CCCC(C)(N)CO Z734150846 [1,1,0,0,0,0|0,0,1]=3 325 B7R0.11 CCNC(C)(C)CO Z286489718 [1,1,0,0,0,0|1,0,1]=4 326 B7R0.11 CCOC(C)(C)CO Z1251352968 [1,1,0,0,0,0|1,0,1]=4 327 B7R0.11 CNCC(C)(C)CO Z1198235262 [1,1,0,0,0,0|1,0,1]=4 328 B7R0.11 COCC(C)(C)CO Z1198238137 [1,1,0,0,0,0|1,0,1]=4 329 B7R0.11 COCC(C)(N)C#N Z898336310 [1,1,0,0,0,0|1,0,1]=4 330 B7R0.11 COCC(C)(N)CN Z992447310 [1,1,0,0,0,0|1,0,1]=4 331 B7R0.11 COCC(C)(N)CO Z992449368 [1,1,0,0,0,0|0,0,1]=3 332 B7R0.18 CCC(C)(CC)CN Z2941505587 [1,1,0,0,0,0|1,0,1]=4 333 B7R0.18 CCC(C)(CN)CO Z1203583788 [1,1,0,0,0,0|0,0,1]=3 334 B7R0.18 CCC(N)(C#N)CC Z444311662 [1,1,0,0,0,0|1,0,1]=4 335 B7R0.18 CCC(N)(CC)CO Z734151048 [1,1,0,0,0,0|0,0,1]=3 336 B7R0.18 NC(CO)(CO)CO Z104509094 [1,1,0,0,0,0|1,0,1]=4 337 B7R0.18 NCC(N)(CO)CO Z4628649688 [1,1,0,0,0,0|1,0,1]=4 338 B9R0.11 CC(C)(CC(=O)O)C(F)F Z1934556434 [0,1,0,0,0,1|2,0,0]=4 339 B9R0.11 CC(N)(CC(=O)O)C(F)F Z3752641567 [0,1,0,0,0,1|1,0,0]=3 340 B9R0.11 CC(N)C(C)(C)CC(=O)O Z4138536717 [0,1,0,0,0,1|1,0,0]=3 341 B9R0.22 CCC(C)(C)NC(=O)CCl Z147647972 [0,1,0,0,0,1|2,0,0]=4 342 B9R0.32 CC(C)(CO)[C@@H](O)C(=O)O Z1205493806 [0,1,0,0,0,1|2,0,0]=4 343 B9R0.32 CCC(C)(C)C(N)C(=O)O Z2429425649 [0,1,0,0,0,1|1,0,0]=3 344 B9R0.32 CCC(C)(O)C(O)C(=O)O Z1205494592 [0,1,0,0,0,1|1,0,0]=3 345 B9R0.58 CCCC(C)(C)CC(=O)O Z1198160073 [0,1,0,0,0,1|1,0,0]=3 346 B9R0.58 COCC(C)(C)CC(=O)O Z1434171899 [0,1,0,0,0,1|1,0,0]=3 347 B9R0.58 COCC(C)(N)CC(=O)O Z3379727619 [0,1,0,0,0,1|0,0,0]=2 348 B9R0.58 NCCC(F)(F)CC(=O)O Z3821935122 [0,1,0,0,0,1|2,0,0]=4 349 B9R0.63 CC(CN)(CO)CC(=O)O Z1753012993 [0,1,0,0,0,1|1,0,0]=3 350 B9R0.63 CCC(C)(CC)OC(=O)N Z1198155508 [0,1,0,0,0,1|2,0,0]=4 351 B9R0.28 CCC(N)C(C)(C)C(=O)O Z1262517126 [0,2,0,0,0,0|1,0,0]=3 352 B9R0.28 CCC(O)C(F)(F)C(=O)O Z982139396 [0,2,0,0,0,0|2,0,0]=4 353 B9R0.28 CCN(C)C(C)(C)C(=O)O Z1495385228 [0,2,0,0,0,0|1,0,0]=3 354 B9R0.28 CNC(=O)C(C)(C)C(=O)O Z2446540642 [0,2,0,0,0,0|1,0,1]=4 355 B9R0.28 COC(=O)C(C)(C)C(=O)C Z1255485815 [0,2,0,0,0,0|1,0,1]=4 356 B9R0.28 COC(=O)C(C)(C)C(=O)O Z1198232716 [0,2,0,0,0,0|1,0,1]=4 357 B9R0.28 COC(=O)C(C)(C)C(C)N Z3784708941 [0,2,0,0,0,0|1,0,0]=3 358 B9R0.51 CC(C)(CCC#N)C(=O)O Z1205495852 [0,2,0,0,0,0|1,0,0]=3 359 B9R0.51 CC(C)(CCCN)C(=O)O Z1516115695 [0,2,0,0,0,0|1,0,0]=3 360 B9R0.51 CCCCC(C)(F)C(=O)O Z1508949719 [0,2,0,0,0,0|1,0,0]=3 361 B9R0.51 COCCC(C)(C)C(=O)O Z995179662 [0,2,0,0,0,0|1,0,0]=3 362 B9R0.60 CCCC(C)(N)C(=O)OC Z324254272 [0,2,0,0,0,0|0,0,0]=2 363 B9R0.60 CNCC(C)(C)C(=O)OC Z4201314156 [0,2,0,0,0,0|1,0,0]=3 364 B9R0.60 COC(=O)C(C)(C)CC#N Z1251358459 [0,2,0,0,0,0|1,0,1]=4 365 B9R0.60 COC(=O)C(C)(C)CCN Z2037273259 [0,2,0,0,0,0|1,0,0]=3 366 B9R0.60 COCC(C)(N)C(=O)OC Z898422656 [0,2,0,0,0,0|0,0,0]=2 367 B9R0.60 COCC(C)(O)C(=O)OC Z992449376 [0,2,0,0,0,0|1,0,0]=3 368 B9R0.74 CCC(C)(COC)C(=O)O Z1627075139 [0,2,0,0,0,0|1,0,0]=3 369 B9R0.74 CCC(N)(COC)C(=O)O Z2217033049 [0,2,0,0,0,0|0,0,0]=2 370 B9R0.74 CNC(C)(COC)C(=O)O Z2234185714 [0,2,0,0,0,0|0,0,0]=2 371 B9R0.74 COCC(C)(CN)C(=O)O Z5935120070 [0,2,0,0,0,0|0,0,0]=2 372 B9R0.19 CCOC(=O)C(C)(C)NC Z477327012 [0,2,0,0,0,0|2,0,0]=4 373 B9R0.19 CCOC(=O)C(C)(O)CC Z965048274 [0,2,0,0,0,0|1,0,0]=3 374 B9R0.19 CCOC(=O)C(C)(O)CN Z1953525646 [0,2,0,0,0,0|2,0,0]=4 375 B9R0.69 CCC(C)(NC)C(=O)OC Z4704832519 [0,2,0,0,0,0|0,0,0]=2 376 B9R0.69 CCC(N)(CC)C(=O)OC Z477335952 [0,2,0,0,0,0|0,0,0]=2 377 B9R0.80 CC(C)(C(=O)O)S(=O)(=O)C Z991513538 [0,2,0,0,0,0|2,0,0]=4 378 B9R0.80 CC(C)(C)C(C)(C)C(=O)O Z1205493736 [0,2,0,0,0,0|1,0,0]=3 379 B9R0.80 CC(C)(F)C(C)(F)C(=O)O Z3463117068 [0,2,0,0,0,0|1,0,0]=3 380 B9R0.80 CC(C)(N)C(C)(C)C(=O)O Z1255523358 [0,2,0,0,0,0|1,0,0]=3 381 B9R0.80 CC(C)(O)C(F)(F)C(=O)O Z982139052 [0,2,0,0,0,0|2,0,0]=4 382 B9R0.80 CC(F)(F)C(C)(C)C(=O)O Z1262555899 [0,2,0,0,0,0|1,0,0]=3 383 B9R0.80 CC(N)(C(=O)N)C(F)(F)F Z1262628987 [0,2,0,0,0,0|2,0,0]=4 384 B9R0.80 CC(N)(C(=O)O)C(F)(F)F Z1269704823 [0,2,0,0,0,0|1,0,0]=3 385 B9R0.76 CCC(C)(C(=O)N)C(=O)O Z1203588411 [0,2,0,0,0,0|0,0,0]=2 386 B9R0.76 CCC(C)(C(=O)O)C(=O)O Z1205493706 [0,2,0,0,0,0|1,0,0]=3 387 B9R0.76 CCC(C)(C(=O)O)C(F)F Z1322541672 [0,2,0,0,0,0|1,0,0]=3 388 B9R0.76 CCC(N)(C(=O)N)C(C)C Z727616020 [0,2,0,0,0,0|1,0,0]=3 389 B9R0.78 CCC(CC)(CC)C(=O)O Z995181774 [0,2,0,0,0,0|1,0,0]=3 390 B9R0.78 CCC(CC)(CN)C(=O)N Z878156256 [0,2,0,0,0,0|1,0,0]=3 391 B9R0.78 CCC(CC)(CO)C(=O)O Z1205493947 [0,2,0,0,0,0|1,0,0]=3 392 B9R0.78 CCC(CC)(NC)C(=O)O Z1642061042 [0,2,0,0,0,0|0,0,0]=2 393 B7R1.4 C=C1CCOC1=O Z1255438435 [1,0,0,1,0,0|0,0,2]=4 394 B7R1.4 CC1CCCC1=O Z813018382 [1,0,0,1,0,0|1,0,0]=3 395 B7R1.4 CC1CCNC1=O Z1198147219 [1,0,0,1,0,0|1,0,0]=3 396 B7R1.4 CC1NCCC1=O Z2733314209 [1,0,0,1,0,0|2,0,0]=4 397 B7R1.4 CN1CCCC1=O Z104478382 [1,0,0,1,0,0|2,0,0]=4 398 B7R1.4 CN1CCNC1=O Z336079928 [1,0,0,1,0,0|2,0,0]=4 399 B7R1.4 C[C@H]1OCC[C@H]1N Z2186882122 [1,0,0,1,0,0|1,0,1]=4 400 B7R1.4 NC1CCOC1=O Z56921763 [1,0,0,1,0,0|0,0,0]=2 401 B7R1.4 NC1CCSC1=O Z56922158 [1,0,0,1,0,0|0,1,0]=3 402 B7R1.4 NC1CONC1=O Z336087816 [1,0,0,1,0,0|2,0,0]=4 403 B7R1.4 NN1CCOC1=O Z1198147716 [1,0,0,1,0,0|1,0,0]=3 404 B7R1.4 N[C@@H]1CCC[C@@H]1O Z2306841441 [1,0,0,1,0,0|1,0,1]=4 405 B7R1.4 N[C@@H]1CCC[C@H]1O Z2256393934 [1,0,0,1,0,0|1,0,1]=4 406 B7R1.4 N[C@@H]1CCSC1=O Z5069355115 [1,0,0,1,0,0|0,1,0]=3 407 B7R1.4 N[C@@H]1CONC1=O Z1198154206 [1,0,0,1,0,0|2,0,0]=4 408 B7R1.4 N[C@H]1CCC[C@@H]1O Z1197994837 [1,0,0,1,0,0|1,0,1]=4 409 B7R1.4 N[C@H]1CCSC1=O Z5069354967 [1,0,0,1,0,0|0,1,0]=3 410 B7R1.4 N[C@H]1CONC1=O Z1201618622 [1,0,0,1,0,0|2,0,0]=4 411 B7R1.4 O=C1CCCC1Cl Z104492966 [1,0,0,1,0,0|2,0,0]=4 412 B7R1.4 O=C1NCCC1F Z1203745843 [1,0,0,1,0,0|2,0,0]=4 413 B7R1.12 CC(=O)C1CC1C Z1259336498 [1,0,0,1,0,0|1,0,0]=3 414 B7R1.12 CC1CC1C(=O)N Z33546780 [1,0,0,1,0,0|1,0,0]=3 415 B7R1.12 C[C@@H]1C[C@H]1C(=O)O Z1205493848 [1,0,0,1,0,0|0,0,0]=2 416 B7R1.12 C[C@H]1C[C@@H]1C(=O)O Z1205494110 [1,0,0,1,0,0|0,0,0]=2 417 B7R1.18 CC(O)C1CCC1 Z1198149695 [1,0,0,1,0,0|1,0,1]=4 418 B7R1.18 N=C(N)C1CCC1 Z1532540511 [1,0,0,1,0,0|2,0,0]=4 419 B7R1.18 NC(=O)C1CCC1 Z33546656 [1,0,0,1,0,0|1,0,0]=3 420 B7R1.18 NC(=O)C1CNC1 Z2754447740 [1,0,0,1,0,0|2,0,0]=4 421 B7R1.18 O=C(O)C1CCC1 Z104472264 [1,0,0,1,0,0|0,0,0]=2 422 B7R1.18 O=C(O)C1CCN1 Z168878270 [1,0,0,1,0,0|0,0,0]=2 423 B7R1.18 O=C(O)C1CNC1 Z1171217434 [1,0,0,1,0,0|1,0,0]=3 424 B7R1.18 O=C(O)C1CSC1 Z1205495555 [1,0,0,1,0,0|1,0,0]=3 425 B7R1.19 CC(=O)C1(CC1)C Z56969338 [1,0,0,1,0,0|1,0,0]=3 426 B7R1.19 CC(=O)C1(CC1)N Z2273234943 [1,0,0,1,0,0|1,0,0]=3 427 B7R1.19 CC(=O)C1(CO1)C Z1201620091 [1,0,0,1,0,0|2,0,0]=4 428 B7R1.19 CC1(CC1)C(=N)N Z1198218317 [1,0,0,1,0,0|2,0,0]=4 429 B7R1.19 CC1(CC1)C(=O)N Z1203578696 [1,0,0,1,0,0|1,0,0]=3 430 B7R1.19 CC1(CC1)C(=O)O Z1205493633 [1,0,0,1,0,0|0,0,0]=2 431 B7R1.19 NC(=O)C1(CC1)N Z1415893881 [1,0,0,1,0,0|1,0,0]=3 432 B7R1.19 NC1(CC1)C(=O)O Z235362779 [1,0,0,1,0,0|0,0,0]=2 433 B7R1.19 O=C(O)C1(CC1)O Z216340524 [1,0,0,1,0,0|1,0,0]=3 434 B7R1.14 CC1(CCOC1)N Z1895741238 [1,0,0,1,0,0|0,0,1]=3 435 B7R1.14 CC1(CCSC1)N Z4990294346 [1,0,0,1,0,0|0,1,1]=4 436 B7R1.25 C=CC1(CCC1)N Z3241265563 [1,0,0,1,0,0|1,0,0]=3 437 B7R1.25 CC1(CCC1)C=O Z1198728427 [1,0,0,1,0,0|1,0,0]=3 438 B7R1.25 CC1(COC1)C=O Z1198234536 [1,0,0,1,0,0|2,0,0]=4 439 B7R1.25 CC1(CSC1)C=O Z2732442937 [1,0,0,1,0,0|2,0,0]=4 440 B7R1.25 CCC1(CCC1)N Z1333043532 [1,0,0,1,0,0|1,0,1]=4 441 B7R1.25 N#CC1(CCC1)N Z406679978 [1,0,0,1,0,0|1,0,1]=4 442 B7R1.25 NC1(CCC1)CO Z1203581511 [1,0,0,1,0,0|0,0,1]=3 443 B7R1.25 OCC1(CCC1)O Z1537124745 [1,0,0,1,0,0|1,0,1]=4 444 B7R1.29 CCC1(CC1)C=O Z1511776317 [1,0,0,1,0,0|1,0,0]=3 445 B7R1.29 COC1(CC1)C=O Z1511825466 [1,0,0,1,0,0|2,0,0]=4 446 B7R1.29 CSC1(CC1)C=O Z1511753214 [1,0,0,1,0,0|2,0,0]=4 447 B7R1.29 O=CC1(CC1)CF Z1198729057 [1,0,0,1,0,0|2,0,0]=4 448 B9R1.38 CC1CC(=O)NC1(C)C Z1258978106 [0,0,0,1,0,1|2,0,0]=4 449 B9R1.66 CC1(CCNC(=O)C1)C Z1203732167 [0,0,0,1,0,1|2,0,0]=4 450 B9R1.66 CC1CC(CCO1)(C)N Z2740753677 [0,0,0,1,0,1|1,0,1]=4 451 B9R1.125 CC1(COC(=O)C1)CN Z4869170774 [0,0,0,1,0,1|2,0,0]=4 452 B9R1.125 CC1(COC(=O)N1)CO Z1255419299 [0,0,0,1,0,1|2,0,0]=4 453 B9R1.125 CCC1(CNC(=O)C1)C Z1203748294 [0,0,0,1,0,1|2,0,0]=4 454 B9R1.127 CCC1(CC1C(=O)O)C Z979743330 [0,0,0,1,0,1|1,0,0]=3 455 B9R1.128 NCC1(CC1)CC(=O)O Z2310723116 [0,0,0,1,0,1|2,0,0]=4 456 B9R1.128 O=C(O)CC1(CC1)CO Z1205656498 [0,0,0,1,0,1|2,0,0]=4 457 B9R1.128 O=C(O)CC1(CC1)CS Z1205493686 [0,0,0,1,0,1|2,0,0]=4 458 B9R1.139 CC1C(C1(F)F)C(=O)O Z1238543518 [0,0,0,1,0,1|2,0,0]=4 459 B9R1.146 CC1(CCS(=O)(=O)C1)N Z56988311 [0,0,0,1,0,1|1,0,1]=4 460 B9R1.166 CC1(CCC1C(=O)O)C Z1205494629 [0,0,0,1,0,1|1,0,0]=3 461 B9R1.166 CC1(CNC1C(=O)O)C Z2690814529 [0,0,0,1,0,1|2,0,0]=4 462 B9R1.171 NC(=O)CC1(CCC1)N Z1415889529 [0,0,0,1,0,1|1,0,0]=3 463 B9R1.171 NC1(CCC1)CC(=O)O Z1318147475 [0,0,0,1,0,1|0,0,0]=2 464 B9R1.40 CC1(CCCCC1=O)C Z1238550479 [0,1,0,1,0,0|2,0,0]=4 465 B9R1.40 CC1(NCCOC1=O)C Z406682076 [0,1,0,1,0,0|1,0,0]=3 466 B9R1.40 CC1(SCCNC1=O)C Z1203732470 [0,1,0,1,0,0|2,0,0]=4 467 B9R1.152 C=C1CC(C1)(N)C(=O)O Z4456650800 [0,1,0,1,0,0|0,0,1]=3 468 B9R1.152 CC1(CC(C1)F)C(=O)O Z3211847948 [0,1,0,1,0,0|1,0,0]=3 469 B9R1.152 CC1CC(C1)(N)C(=O)O Z2856166804 [0,1,0,1,0,0|0,0,0]=2 470 B9R1.152 NC1(CC(=O)C1)C(=O)O Z4578587092 [0,1,0,1,0,0|0,0,1]=3 471 B9R1.152 NC1(CC(C1)F)C(=O)O Z2724339187 [0,1,0,1,0,0|0,0,0]=2 472 B9R1.152 NC1(CC(C1)O)C(=O)O Z1255398009 [0,1,0,1,0,0|0,0,0]=2 473 B9R1.152 NC1CC(C1)(O)C(=O)O Z4445501853 [0,1,0,1,0,0|1,0,0]=3 474 B9R1.153 CC1(NC(=O)C1(C)C)C Z1259040632 [0,1,0,1,0,0|2,0,0]=4 475 B9R1.163 CC(=O)C1(CCCC1)N Z2736561944 [0,1,0,1,0,0|1,0,0]=3 476 B9R1.163 CC(=O)C1(CCCO1)C Z1389051490 [0,1,0,1,0,0|2,0,0]=4 477 B9R1.163 CC1(CCCC1)C(=O)O Z199537270 [0,1,0,1,0,0|1,0,0]=3 478 B9R1.163 CC1(CCCN1)C(=O)O Z1483991628 [0,1,0,1,0,0|0,0,0]=2 479 B9R1.163 CC1(CCCO1)C(=O)O Z1198171568 [0,1,0,1,0,0|1,0,0]=3 480 B9R1.163 CC1(CCCS1)C(=O)O Z1268152237 [0,1,0,1,0,0|1,0,0]=3 481 B9R1.163 CC1(CCNC1)C(=O)N Z1095299604 [0,1,0,1,0,0|1,0,0]=3 482 B9R1.163 CC1(CCNC1)C(=O)O Z1407007571 [0,1,0,1,0,0|0,0,0]=2 483 B9R1.163 CC1(CCOC1)C(=O)O Z995182654 [0,1,0,1,0,0|1,0,0]=3 484 B9R1.163 NC(=O)C1(CCCC1)N Z1267881706 [0,1,0,1,0,0|1,0,0]=3 485 B9R1.163 NC(=O)C1(CCCC1)O Z965048590 [0,1,0,1,0,0|2,0,0]=4 486 B9R1.163 NC(=O)C1(CCNC1)O Z1809367630 [0,1,0,1,0,0|2,0,0]=4 487 B9R1.163 NC1(CC=CC1)C(=O)O Z3814563789 [0,1,0,1,0,0|0,0,1]=3 488 B9R1.163 NC1(CCCC1)C(=O)O Z234896477 [0,1,0,1,0,0|0,0,0]=2 489 B9R1.163 NC1(CCOC1)C(=O)O Z1124555363 [0,1,0,1,0,0|0,0,0]=2 490 B9R1.163 NC1(CCSC1)C(=O)O Z317024750 [0,1,0,1,0,0|0,0,0]=2 491 B9R1.163 O=C(O)C1(CCCC1)O Z220335554 [0,1,0,1,0,0|1,0,0]=3 492 B9R1.163 O=C(O)C1(CCOC1)F Z1893239035 [0,1,0,1,0,0|1,0,0]=3 493 B9R1.163 O=C(O)C1(CCOC1)O Z1124555786 [0,1,0,1,0,0|1,0,0]=3 494 B9R1.165 CC(C)(C(=O)O)C1CC1 Z1205494855 [0,1,0,1,0,0|1,0,0]=3 495 B9R1.165 CC(N)(C(=O)N)C1CC1 Z1470344909 [0,1,0,1,0,0|1,0,0]=3 496 B9R1.165 CC(N)(C(=O)O)C1CC1 Z1250132714 [0,1,0,1,0,0|0,0,0]=2 497 B9R1.165 CC(O)(C(=O)O)C1CC1 Z788000400 [0,1,0,1,0,0|1,0,0]=3 498 B9R1.165 O=C(O)C(F)(F)C1CC1 Z1791408651 [0,1,0,1,0,0|2,0,0]=4 499 B9R1.179 C#CCC1(CC1)C(=O)O Z1321881090 [0,1,0,1,0,0|1,0,1]=4 500 B9R1.179 CCCC1(CC1)C(=O)O Z1205496166 [0,1,0,1,0,0|1,0,0]=3 501 B9R1.179 O=C(O)C1(CC1)CCO Z1321950923 [0,1,0,1,0,0|1,0,0]=3 502 B9R1.106 CC1(C(=O)NCC1N)C Z3242507380 [0,1,0,1,0,0|2,0,0]=4 503 B9R1.106 CC1(C(=O)NCC1O)C Z1889709990 [0,1,0,1,0,0|2,0,0]=4 504 B9R1.138 CC1(CCC(C1=O)Cl)C Z1350877025 [0,1,0,1,0,0|2,0,0]=4 505 B9R1.186 COC(=O)C1(CCC1)O Z787621610 [0,1,0,1,0,0|1,0,0]=3 506 B9R1.186 COC(=O)C1(CNC1)C Z1255493452 [0,1,0,1,0,0|2,0,0]=4 507 B9R1.188 COC(=O)[C@]1(C[C@H]1C)N Z4178104558 [0,1,0,1,0,0|0,0,0]=2 508 B9R1.190 COC(=O)C1(CC1)CN Z1728629600 [0,1,0,1,0,0|2,0,0]=4 509 B9R1.190 COC(=O)C1(CC1)OC Z1486030204 [0,1,0,1,0,0|2,0,0]=4 510 B9R1.202 CC1(CCNC1=O)C#N Z1203748528 [0,1,0,1,0,0|1,0,1]=4 511 B9R1.202 CC1(CCNC1=O)CN Z2718904458 [0,1,0,1,0,0|1,0,0]=3 512 B9R1.202 CC1(CCNC1=O)CO Z1868060587 [0,1,0,1,0,0|2,0,0]=4 513 B9R1.119 CCC1(CCC1)C(=O)O Z1205494281 [0,1,0,1,0,0|1,0,0]=3 514 B9R1.119 CCC1(COC1)C(=O)O Z1205656653 [0,1,0,1,0,0|1,0,0]=3 515 B9R1.119 CNC1(CCC1)C(=O)O Z2327124607 [0,1,0,1,0,0|0,0,0]=2 516 B9R1.119 COC1(CCC1)C(=O)O Z1592683230 [0,1,0,1,0,0|1,0,0]=3 517 B9R1.119 N#CC1(CCC1)C(=O)O Z825761124 [0,1,0,1,0,0|0,0,1]=3 518 B9R1.119 NCC1(CCC1)C(=O)O Z2037266975 [0,1,0,1,0,0|0,0,0]=2 519 B9R1.119 O=C(O)C1(CCC1)CO Z1263714391 [0,1,0,1,0,0|1,0,0]=3 520 B9R1.130 CC1CC1(C#N)C(=O)O Z1650185273 [0,1,0,1,0,0|0,0,1]=3 521 B9R1.130 C[C@@H]1C[C@@]1(CN)C(=O)O Z3409601701 [0,1,0,1,0,0|0,0,0]=2 522 B9R1.168 CC(C)C1(CC1)C(=O)O Z1205498035 [0,1,0,1,0,0|1,0,0]=3 523 B9R1.168 CN(C)C1(CC1)C(=O)O Z1205494515 [0,1,0,1,0,0|2,0,0]=4 524 B9R1.169 CC1(CC1(F)F)C(=O)O Z1201624185 [0,1,0,1,0,0|2,0,0]=4 525 B9R1.169 CC1(CC1(N)C(=O)O)C Z3674952394 [0,1,0,1,0,0|0,0,0]=2 526 B9R2.5 O=C1OCCC12CO2 Z3038215235 [0,0,0,2,0,0|1,0,0]=3 527 B9R2.140 O=C1CCC12CCC2 Z1198313571 [0,0,0,2,0,0|2,0,0]=4 528 B9R2.140 O=C1NCC12CCC2 Z2375645218 [0,0,0,2,0,0|2,0,0]=4 529 B9R2.145 O=C(O)C12CC(C1)C2 Z1205493798 [0,0,0,2,0,0|1,0,0]=3 530 B7R0.2 CC(CN)CC(=O)O Z1436472873 [1,0,0,0,0,1|1,0,0]=3 531 B7R0.2 CC/C(=C/C(=O)O)/C Z2583321519 [1,0,0,0,0,1|0,0,1]=3 532 B7R0.2 CCC(C)CC(=O)O Z352782882 [1,0,0,0,0,1|0,0,0]=2 533 B7R0.2 CCC(C)NC(=O)N Z56979270 [1,0,0,0,0,1|1,0,0]=3 534 B7R0.2 CCC(C)NC(=S)N Z56907642 [1,0,0,0,0,1|1,1,0]=4 535 B7R0.2 CCC(N)CC(=O)O Z1708090940 [1,0,0,0,0,1|0,0,0]=2 536 B7R0.2 CCN(C)CC(=O)O Z1459897022 [1,0,0,0,0,1|1,0,0]=3 537 B7R0.2 CNC(C)CC(=O)N Z3070230004 [1,0,0,0,0,1|2,0,0]=4 538 B7R0.2 COC(C)CC(=O)O Z431536426 [1,0,0,0,0,1|1,0,0]=3 539 B7R0.2 NCC(O)CC(=O)O Z1255390571 [1,0,0,0,0,1|2,0,0]=4 540 B7R0.2 NC[C@@H](O)CC(=O)O Z1203578293 [1,0,0,0,0,1|2,0,0]=4 541 B7R0.2 NC[C@H](O)CC(=O)O Z1198160294 [1,0,0,0,0,1|2,0,0]=4 542 B7R0.9 CC(=O)CC(C)(C)C Z1171198845 [1,0,0,0,0,1|2,0,0]=4 543 B7R0.9 CC(C)(Br)CC(=O)O Z1262512457 [1,0,0,0,0,1|1,0,0]=3 544 B7R0.9 CC(C)(C)CC(=O)N Z278515142 [1,0,0,0,0,1|2,0,0]=4 545 B7R0.9 CC(C)(C)CC(=O)O Z104478420 [1,0,0,0,0,1|1,0,0]=3 546 B7R0.9 CC(C)(N)CC(=O)N Z1459435491 [1,0,0,0,0,1|1,0,0]=3 547 B7R0.9 CC(C)(N)CC(=O)O Z1255523279 [1,0,0,0,0,1|0,0,0]=2 548 B7R0.9 CC(C)(O)CC(=O)O Z982131798 [1,0,0,0,0,1|1,0,0]=3 549 B7R0.9 CC(F)(F)CC(=O)O Z1205496030 [1,0,0,0,0,1|2,0,0]=4 550 B7R0.9 C[N+](C)(N)CC(=O)[O-] Z56832246 [1,0,0,0,0,1|1,0,1]=4 551 B9R0.64 CC(C)(CN)OCC(=O)O Z5213301974 [0,0,0,0,0,2|2,0,0]=4 552 B9R0.64 CCC(C)(C)OCC(=O)O Z362795510 [0,0,0,0,0,2|1,0,0]=3