0 B6R0.3 C=CC(N)C(=O)O Z3244810526 [0,0,0,0,0,0|2,0,2]=4 1 B6R0.3 CC(=C(F)CN)C Z1203639272 [0,0,0,0,0,0|4,0,0]=4 2 B6R0.3 CC(C#N)C(=O)O Z852759720 [0,0,0,0,0,0|2,0,2]=4 3 B6R0.3 CC(CN)C(=O)O Z431542704 [0,0,0,0,0,0|2,0,1]=3 4 B6R0.3 CC(CO)C(=O)O Z431541400 [0,0,0,0,0,0|1,0,1]=2 5 B6R0.3 CCC(C)C(=O)N Z270978420 [0,0,0,0,0,0|3,0,1]=4 6 B6R0.3 CCC(C)C(=O)O Z237374874 [0,0,0,0,0,0|2,0,1]=3 7 B6R0.3 CCC(N)C(=O)O Z104495144 [0,0,0,0,0,0|2,0,1]=3 8 B6R0.3 CCC(O)C(=O)N Z965049008 [0,0,0,0,0,0|2,0,2]=4 9 B6R0.3 CCC(O)C(=O)O Z246073650 [0,0,0,0,0,0|1,0,2]=3 10 B6R0.3 CC[C@@H](N)C(=O)O Z904976986 [0,0,0,0,0,0|2,0,1]=3 11 B6R0.3 CC[C@H](C)C(=O)O Z1205493564 [0,0,0,0,0,0|2,0,1]=3 12 B6R0.3 CC[C@H](N)C(=O)O Z1741965569 [0,0,0,0,0,0|2,0,1]=3 13 B6R0.3 CN(C)C(=O)CN Z54751082 [0,0,0,0,0,0|4,0,0]=4 14 B6R0.3 CN(C)C(=O)CO Z431952018 [0,0,0,0,0,0|3,0,0]=3 15 B6R0.3 CNC(=O)C(C)O Z431951884 [0,0,0,0,0,0|3,0,1]=4 16 B6R0.3 CNC(C)C(=O)O Z1278590830 [0,0,0,0,0,0|3,0,1]=4 17 B6R0.3 COC(=O)C(=N)N Z1198220825 [0,0,0,0,0,0|4,0,0]=4 18 B6R0.3 COC(C)C(=O)O Z316258898 [0,0,0,0,0,0|3,0,1]=4 19 B6R0.3 CSC(C)C(=O)O Z149191750 [0,0,0,0,0,0|3,0,1]=4 20 B6R0.3 NC(CO)C(=O)O Z57396986 [0,0,0,0,0,0|1,0,1]=2 21 B6R0.3 NC(CS)C(=O)O Z966690626 [0,0,0,0,0,0|1,1,1]=3 22 B6R0.3 NCC(=C(Cl)Cl)Cl Z1945984228 [0,0,0,0,0,0|4,0,0]=4 23 B6R0.3 NCC(N)C(=O)O Z2465863279 [0,0,0,0,0,0|2,0,1]=3 24 B6R0.3 NCC(O)C(=O)N Z1889902538 [0,0,0,0,0,0|2,0,2]=4 25 B6R0.3 NC[C@@H](F)C(=O)O Z2695741427 [0,0,0,0,0,0|2,0,1]=3 26 B6R0.3 NNC(=O)C(=O)O Z3068042919 [0,0,0,0,0,0|2,0,0]=2 27 B6R0.3 N[C@@H](CO)C(=O)O Z756440058 [0,0,0,0,0,0|1,0,1]=2 28 B6R0.3 N[C@@H](CS)C(=O)O Z760035162 [0,0,0,0,0,0|1,1,1]=3 29 B6R0.3 N[C@H](CO)C(=O)O Z1070067572 [0,0,0,0,0,0|1,0,1]=2 30 B6R0.3 O=C(O)C(=O)CBr Z1079181768 [0,0,0,0,0,0|1,0,0]=1 31 B5R0.1 C#CCC(=O)O Z295890060 [1,0,0,0,0,0|1,0,2]=4 32 B5R0.1 C/C=C/C(=O)O Z104476026 [1,0,0,0,0,0|1,0,1]=3 33 B5R0.1 CC(=CCN)C Z1827897919 [1,0,0,0,0,0|3,0,0]=4 34 B5R0.1 CC(=O)CCO Z906206900 [1,0,0,0,0,0|1,0,1]=3 35 B5R0.1 CC(O)CCO Z104473530 [1,0,0,0,0,0|1,0,2]=4 36 B5R0.1 CCCC(=O)N Z33546461 [1,0,0,0,0,0|2,0,1]=4 37 B5R0.1 CCCC(=O)O Z104495380 [1,0,0,0,0,0|1,0,1]=3 38 B5R0.1 CCOC(=O)N Z33546369 [1,0,0,0,0,0|3,0,0]=4 39 B5R0.1 CNCC(=O)O Z104480276 [1,0,0,0,0,0|2,0,1]=4 40 B5R0.1 COCC(=O)O Z104477404 [1,0,0,0,0,0|2,0,1]=4 41 B5R0.1 N#CCC(=O)O Z104476112 [1,0,0,0,0,0|1,0,2]=4 42 B5R0.1 N=C(N)CCO Z1198394167 [1,0,0,0,0,0|2,0,1]=4 43 B5R0.1 NC(=O)CCO Z431951940 [1,0,0,0,0,0|1,0,1]=3 44 B5R0.1 NCC=C(Cl)Cl Z2469606492 [1,0,0,0,0,0|3,0,0]=4 45 B5R0.1 NCC=C(F)F Z4511316967 [1,0,0,0,0,0|3,0,0]=4 46 B5R0.1 NCCC(=O)N Z415728050 [1,0,0,0,0,0|2,0,1]=4 47 B5R0.1 NCCC(=O)O Z57127544 [1,0,0,0,0,0|1,0,1]=3 48 B5R0.1 NOCC(=O)O Z90662171 [1,0,0,0,0,0|2,0,1]=4 49 B5R0.1 O=C(O)/C=C/I Z2327124440 [1,0,0,0,0,0|1,0,1]=3 50 B5R0.1 O=C(O)CCCl Z203045320 [1,0,0,0,0,0|1,0,1]=3 51 B5R0.1 O=C(O)CCS Z104474322 [1,0,0,0,0,0|0,1,1]=3 52 B5R0.1 O=C(O)CNO Z1205493750 [1,0,0,0,0,0|1,0,1]=3 53 B5R0.3 C=CC(N)CO Z2146514374 [1,0,0,0,0,0|2,0,1]=4 54 B5R0.3 CC/C(=N/O)/N Z241067842 [1,0,0,0,0,0|3,0,0]=4 55 B5R0.3 CCC(=O)CC Z104476878 [1,0,0,0,0,0|2,0,1]=4 56 B5R0.3 CCC(=O)CN Z1203579016 [1,0,0,0,0,0|2,0,1]=4 57 B5R0.3 CCC(=O)NN Z56886418 [1,0,0,0,0,0|3,0,0]=4 58 B5R0.3 CCN(C)C=O Z1258520870 [1,0,0,0,0,0|3,0,0]=4 59 B5R0.3 CNC(=O)CCl Z56891219 [1,0,0,0,0,0|3,0,0]=4 60 B5R0.3 CNC(=O)CN Z57981102 [1,0,0,0,0,0|3,0,0]=4 61 B5R0.3 CNC(=O)CO Z431952700 [1,0,0,0,0,0|2,0,0]=3 62 B5R0.3 CNC(=O)CS Z1203730878 [1,0,0,0,0,0|2,1,0]=4 63 B5R0.3 COC(=O)CN Z57042020 [1,0,0,0,0,0|3,0,0]=4 64 B5R0.3 N=C(CN)NO Z223781376 [1,0,0,0,0,0|3,0,0]=4 65 B5R0.3 NC(CO)CO Z1203577940 [1,0,0,0,0,0|1,0,2]=4 66 B5R0.3 NCC(=O)CN Z1198147360 [1,0,0,0,0,0|2,0,1]=4 67 B5R0.3 O=C(CO)CO Z1255442144 [1,0,0,0,0,0|0,0,1]=2 68 B5R0.3 OC/C(=C/I)/I Z4691071538 [1,0,0,0,0,0|2,0,0]=3 69 B5R0.3 OCC(O)CO Z104473548 [1,0,0,0,0,0|0,0,3]=4 70 B5R0.5 C=C(Cl)C(=O)O Z1201617183 [1,0,0,0,0,0|1,0,1]=3 71 B5R0.5 CC(=C(Cl)Cl)Cl Z1198148250 [1,0,0,0,0,0|3,0,0]=4 72 B5R0.5 CC(=O)C(=O)O Z104495240 [1,0,0,0,0,0|0,0,0]=1 73 B5R0.5 CC(=O)C(C)N Z1263529525 [1,0,0,0,0,0|2,0,1]=4 74 B5R0.5 CC(Br)C(=O)O Z57127555 [1,0,0,0,0,0|1,0,1]=3 75 B5R0.5 CC(C)C(=O)N Z57046209 [1,0,0,0,0,0|2,0,1]=4 76 B5R0.5 CC(C)C(=O)O Z104473380 [1,0,0,0,0,0|1,0,1]=3 77 B5R0.5 CC(Cl)C(=O)N Z56924427 [1,0,0,0,0,0|2,0,1]=4 78 B5R0.5 CC(Cl)C(=O)O Z147646840 [1,0,0,0,0,0|1,0,1]=3 79 B5R0.5 CC(N)C(=O)N Z54749436 [1,0,0,0,0,0|2,0,1]=4 80 B5R0.5 CC(N)C(=O)O Z57396987 [1,0,0,0,0,0|1,0,1]=3 81 B5R0.5 CC(O)C(=O)N Z57206008 [1,0,0,0,0,0|1,0,2]=4 82 B5R0.5 CC(S)C(=O)O Z104477082 [1,0,0,0,0,0|0,1,1]=3 83 B5R0.5 C[C@@H](N)C(=O)O Z802692914 [1,0,0,0,0,0|1,0,1]=3 84 B5R0.5 C[C@H](N)C(=O)N Z359371050 [1,0,0,0,0,0|2,0,1]=4 85 B5R0.5 C[C@H](N)C(=O)O Z756424912 [1,0,0,0,0,0|1,0,1]=3 86 B5R0.5 O=C(O)C(=O)O Z1741978903 [1,0,0,0,0,0|0,0,0]=1 87 B5R0.5 O=C(O)C(Cl)Cl Z104476414 [1,0,0,0,0,0|2,0,1]=4 88 B5R0.5 O=C(O)C(F)F Z104474070 [1,0,0,0,0,0|2,0,1]=4 89 B7R0.5 C=C(C)C(=O)OCC Z852747724 [0,1,0,0,0,0|3,0,0]=4 90 B7R0.5 C=CCC(N)C(=O)O Z317024964 [0,1,0,0,0,0|2,0,1]=4 91 B7R0.5 C=CC[C@@H](N)C(=O)O Z1374884973 [0,1,0,0,0,0|2,0,1]=4 92 B7R0.5 CC(CCN)C(=O)O Z2298167292 [0,1,0,0,0,0|2,0,1]=4 93 B7R0.5 CCCC(C)C(=O)O Z104477112 [0,1,0,0,0,0|2,0,1]=4 94 B7R0.5 CCCC(N)C(=O)O Z317024724 [0,1,0,0,0,0|2,0,1]=4 95 B7R0.5 CCC[C@@H](N)C(=O)O Z763365012 [0,1,0,0,0,0|2,0,1]=4 96 B7R0.5 CCC[C@H](N)C(=O)O Z1033300662 [0,1,0,0,0,0|2,0,1]=4 97 B7R0.5 CCNC(C)C(=O)O Z3181996310 [0,1,0,0,0,0|2,0,1]=4 98 B7R0.5 CCOC(=O)C(=O)C Z104472090 [0,1,0,0,0,0|2,0,0]=3 99 B7R0.5 CCOC(=O)C(=O)N Z104475764 [0,1,0,0,0,0|2,0,0]=3 100 B7R0.5 CCOC(C)C(=O)O Z316258934 [0,1,0,0,0,0|2,0,1]=4 101 B7R0.5 CN(C)C(=O)CCO Z635883438 [0,1,0,0,0,0|3,0,0]=4 102 B7R0.5 CNCC(C)C(=O)O Z1270387301 [0,1,0,0,0,0|2,0,1]=4 103 B7R0.5 COCC(=O)C(C)C Z825742022 [0,1,0,0,0,0|2,0,1]=4 104 B7R0.5 COCC(C)C(=O)O Z431541094 [0,1,0,0,0,0|1,0,1]=3 105 B7R0.5 COCC(N)C(=O)O Z1613478163 [0,1,0,0,0,0|1,0,1]=3 106 B7R0.5 CSCC(C)C(=O)O Z732206684 [0,1,0,0,0,0|1,1,1]=4 107 B7R0.5 CSCC(N)C(=O)O Z317025996 [0,1,0,0,0,0|1,1,1]=4 108 B7R0.5 NC(CCF)C(=O)O Z2470036329 [0,1,0,0,0,0|2,0,1]=4 109 B7R0.5 NC(CCO)C(=O)O Z234896487 [0,1,0,0,0,0|1,0,1]=3 110 B7R0.5 NCCC(F)C(=O)O Z3235903750 [0,1,0,0,0,0|2,0,1]=4 111 B7R0.5 NCC[C@H](N)C(=O)O Z1741978716 [0,1,0,0,0,0|2,0,1]=4 112 B7R0.5 NCC[C@H](O)C(=O)O Z1203578154 [0,1,0,0,0,0|1,0,2]=4 113 B7R0.5 N[C@@H](CCO)C(=O)O Z1172369006 [0,1,0,0,0,0|1,0,1]=3 114 B7R0.5 N[C@H](CCO)C(=O)O Z608345098 [0,1,0,0,0,0|1,0,1]=3 115 B7R0.10 C=C(CBr)C(=O)OC Z1255364717 [0,1,0,0,0,0|2,0,0]=3 116 B7R0.10 CCC(=O)C(=O)CC Z104472286 [0,1,0,0,0,0|2,0,0]=3 117 B7R0.10 CNC(=O)C(N)CO Z1203584884 [0,1,0,0,0,0|2,0,1]=4 118 B7R0.10 COC(=O)C(C)CN Z1357902409 [0,1,0,0,0,0|2,0,1]=4 119 B7R0.10 COC(=O)C(N)CF Z1255489945 [0,1,0,0,0,0|2,0,1]=4 120 B7R0.10 COC(=O)C(N)CO Z104479480 [0,1,0,0,0,0|1,0,1]=3 121 B7R0.10 COC(=O)C(N)CS Z56917374 [0,1,0,0,0,0|1,1,1]=4 122 B7R0.10 COC(=O)[C@@H](F)CN Z2830704461 [0,1,0,0,0,0|2,0,1]=4 123 B7R0.10 COC(=O)[C@@H](N)CS Z1741970632 [0,1,0,0,0,0|1,1,1]=4 124 B7R0.10 COC(=O)[C@@H](O)CN Z1540004832 [0,1,0,0,0,0|1,0,2]=4 125 B7R0.10 OC/C(=C(\I)/CO)/I Z2943434815 [0,1,0,0,0,0|2,0,0]=3 126 B7R0.13 CC(=O)C(C)(C)CO Z1216812592 [0,1,0,0,0,0|2,0,1]=4 127 B7R0.13 CC(Br)(CBr)C(=O)O Z104503534 [0,1,0,0,0,0|2,0,1]=4 128 B7R0.13 CC(C)(CF)C(=O)O Z1205495490 [0,1,0,0,0,0|2,0,1]=4 129 B7R0.13 CC(C)(CN)C(=O)O Z2235387237 [0,1,0,0,0,0|2,0,1]=4 130 B7R0.13 CC(C)(CO)C(=O)O Z997726628 [0,1,0,0,0,0|1,0,1]=3 131 B7R0.13 CC(N)(CN)C(=O)O Z2050725177 [0,1,0,0,0,0|2,0,1]=4 132 B7R0.13 CC(N)(CO)C(=O)O Z1509051726 [0,1,0,0,0,0|1,0,1]=3 133 B7R0.13 CC(O)(CO)C(=O)O Z1205493767 [0,1,0,0,0,0|0,0,2]=3 134 B7R0.13 CCC(C)(Br)C(=O)O Z1198221945 [0,1,0,0,0,0|2,0,1]=4 135 B7R0.13 CCC(C)(C)C(=O)O Z995036360 [0,1,0,0,0,0|2,0,1]=4 136 B7R0.13 CCC(C)(N)C(=O)O Z317024736 [0,1,0,0,0,0|2,0,1]=4 137 B7R0.13 CCC(C)(O)C(=O)O Z788000964 [0,1,0,0,0,0|1,0,2]=4 138 B7R0.15 CCC(C#N)C(=O)O Z1117899421 [0,1,0,0,0,0|2,0,1]=4 139 B7R0.15 CCC(CO)C(=O)[O-] Z2442085377 [0,1,0,0,0,0|1,0,2]=4 140 B7R0.15 CCC(NC)C(=O)O Z818727142 [0,1,0,0,0,0|2,0,1]=4 141 B7R0.15 CCC(OC)C(=O)O Z449367058 [0,1,0,0,0,0|1,0,2]=4 142 B7R0.15 CCC(SC)C(=O)O Z732206700 [0,1,0,0,0,0|1,1,1]=4 143 B7R0.15 CCN(N=O)C(=O)N Z1198149309 [0,1,0,0,0,0|3,0,0]=4 144 B7R0.15 CNC(CN)C(=O)O Z1982493964 [0,1,0,0,0,0|2,0,1]=4 145 B7R0.15 COC(CN)C(=O)O Z1603778808 [0,1,0,0,0,0|1,0,2]=4 146 B7R0.15 NCC(CN)C(=O)O Z5183354524 [0,1,0,0,0,0|2,0,1]=4 147 B7R0.16 C=C(C)C(=O)C(C)C Z1313486232 [0,1,0,0,0,0|3,0,0]=4 148 B7R0.16 CC(=C(F)C(=O)O)C Z1205494362 [0,1,0,0,0,0|2,0,1]=4 149 B7R0.16 CC(=C(F)F)C(=O)O Z1205497572 [0,1,0,0,0,0|2,0,1]=4 150 B7R0.16 CC(C(=O)O)C(=O)O Z787653408 [0,1,0,0,0,0|1,0,2]=4 151 B7R0.16 CC(C)C(Br)C(=O)O Z203888738 [0,1,0,0,0,0|2,0,1]=4 152 B7R0.16 CC(C)C(C)C(=O)O Z756391682 [0,1,0,0,0,0|2,0,1]=4 153 B7R0.16 CC(C)C(Cl)C(=O)O Z336080700 [0,1,0,0,0,0|2,0,1]=4 154 B7R0.16 CC(C)C(N)C(=O)O Z57127382 [0,1,0,0,0,0|2,0,1]=4 155 B7R0.16 CC(C)C(S)C(=O)O Z808230896 [0,1,0,0,0,0|1,1,1]=4 156 B7R0.16 CC(C)[C@@H](N)C(=O)O Z813018028 [0,1,0,0,0,0|2,0,1]=4 157 B7R0.16 CC(C)[C@H](N)C(=O)O Z756430564 [0,1,0,0,0,0|2,0,1]=4 158 B7R0.16 CC(N)C(C)C(=O)O Z1198162847 [0,1,0,0,0,0|2,0,1]=4 159 B7R0.16 CC(O)C(=O)N(C)C Z431951926 [0,1,0,0,0,0|3,0,0]=4 160 B7R0.16 CC(O)C(C)C(=O)O Z982137146 [0,1,0,0,0,0|1,0,1]=3 161 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O Z1201618669 [0,1,0,0,0,0|1,0,1]=3 162 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O Z813019058 [0,1,0,0,0,0|1,0,1]=3 163 B7R0.16 C[C@H](O)[C@H](N)C(=O)O Z1162448524 [0,1,0,0,0,0|1,0,1]=3 164 B7R0.16 O=C(O)C(O)C(=O)O Z90123595 [0,1,0,0,0,0|0,0,3]=4 165 B7R1.4 C=C1CCOC1=O Z1255438435 [0,0,0,1,0,0|2,0,0]=3 166 B7R1.4 NC1CCOC1=O Z56921763 [0,0,0,1,0,0|2,0,1]=4 167 B7R1.4 NC1CONC1=O Z336087816 [0,0,0,1,0,0|2,0,1]=4 168 B7R1.4 NN1CCOC1=O Z1198147716 [0,0,0,1,0,0|3,0,0]=4 169 B7R1.4 N[C@@H]1CONC1=O Z1198154206 [0,0,0,1,0,0|2,0,1]=4 170 B7R1.4 N[C@H]1CONC1=O Z1201618622 [0,0,0,1,0,0|2,0,1]=4 171 B7R1.12 C[C@@H]1C[C@H]1C(=O)O Z1205493848 [0,0,0,1,0,0|2,0,1]=4 172 B7R1.12 C[C@H]1C[C@@H]1C(=O)O Z1205494110 [0,0,0,1,0,0|2,0,1]=4 173 B7R1.18 O=C(O)C1CCC1 Z104472264 [0,0,0,1,0,0|2,0,1]=4 174 B7R1.18 O=C(O)C1CCN1 Z168878270 [0,0,0,1,0,0|2,0,1]=4 175 B7R1.18 O=C(O)C1CNC1 Z1171217434 [0,0,0,1,0,0|2,0,1]=4 176 B7R1.18 O=C(O)C1CSC1 Z1205495555 [0,0,0,1,0,0|1,1,1]=4 177 B7R1.19 CC(=O)C1(CO1)C Z1201620091 [0,0,0,1,0,0|2,0,1]=4 178 B7R1.19 CC1(CC1)C(=O)O Z1205493633 [0,0,0,1,0,0|2,0,1]=4 179 B7R1.19 NC1(CC1)C(=O)O Z235362779 [0,0,0,1,0,0|2,0,1]=4 180 B7R1.19 O=C(O)C1(CC1)O Z216340524 [0,0,0,1,0,0|1,0,2]=4 181 B7R1.22 O=C(CO)C1CC1 Z1172087188 [0,0,0,1,0,0|2,0,1]=4 182 B7R0.2 C=CC(=O)NC(=O)N Z837062938 [0,0,0,0,0,1|2,0,1]=4 183 B7R0.2 CC(=O)NC(=O)CCl Z56911971 [0,0,0,0,0,1|2,0,0]=3 184 B7R0.2 CC(C)NC(=O)CO Z431952044 [0,0,0,0,0,1|2,0,1]=4 185 B7R0.2 CC(CN)CC(=O)O Z1436472873 [0,0,0,0,0,1|2,0,1]=4 186 B7R0.2 CC/C(=C/C(=O)O)/C Z2583321519 [0,0,0,0,0,1|2,0,0]=3 187 B7R0.2 CCC(=O)CC(=O)C Z1013699870 [0,0,0,0,0,1|2,0,0]=3 188 B7R0.2 CCC(C)CC(=O)O Z352782882 [0,0,0,0,0,1|2,0,1]=4 189 B7R0.2 CCC(N)CC(=O)O Z1708090940 [0,0,0,0,0,1|2,0,1]=4 190 B7R0.2 CCN(C)CC(=O)O Z1459897022 [0,0,0,0,0,1|3,0,0]=4 191 B7R0.2 CNC(=O)CC(=O)O Z963467722 [0,0,0,0,0,1|2,0,0]=3 192 B7R0.2 CNC(=O)NC(=O)N Z56755567 [0,0,0,0,0,1|3,0,0]=4 193 B7R0.2 NC(=O)NC(=O)CCl Z56851244 [0,0,0,0,0,1|2,0,0]=3 194 B7R0.2 NC(=O)NC(=O)CO Z431952046 [0,0,0,0,0,1|1,0,0]=2 195 B7R0.2 NCC(O)CC(=O)O Z1255390571 [0,0,0,0,0,1|1,0,2]=4 196 B7R0.2 NC[C@@H](O)CC(=O)O Z1203578293 [0,0,0,0,0,1|1,0,2]=4 197 B7R0.2 NC[C@H](O)CC(=O)O Z1198160294 [0,0,0,0,0,1|1,0,2]=4 198 B4R0.1 C#CC(=O)O Z104493798 [2,0,0,0,0,0|0,0,2]=4 199 B4R0.1 C=C(Br)CN Z600439032 [2,0,0,0,0,0|2,0,0]=4 200 B4R0.1 C=C(Br)CO Z600440434 [2,0,0,0,0,0|1,0,0]=3 201 B4R0.1 C=CC(=C)C Z104474660 [2,0,0,0,0,0|2,0,0]=4 202 B4R0.1 C=CC(=O)O Z57127944 [2,0,0,0,0,0|0,0,1]=3 203 B4R0.1 CC(=O)C=O Z104495190 [2,0,0,0,0,0|0,0,0]=2 204 B4R0.1 CC(=O)CN Z1262398366 [2,0,0,0,0,0|1,0,1]=4 205 B4R0.1 CC(=O)NN Z58981787 [2,0,0,0,0,0|2,0,0]=4 206 B4R0.1 CC(=O)NO Z59181917 [2,0,0,0,0,0|1,0,0]=3 207 B4R0.1 CC(O)CO Z106938868 [2,0,0,0,0,0|1,0,1]=4 208 B4R0.1 CCC(=O)N Z33546482 [2,0,0,0,0,0|1,0,1]=4 209 B4R0.1 CCC(=O)O Z104474154 [2,0,0,0,0,0|0,0,1]=3 210 B4R0.1 CNC(=O)C Z32016274 [2,0,0,0,0,0|2,0,0]=4 211 B4R0.1 CNC(=O)N Z56932989 [2,0,0,0,0,0|2,0,0]=4 212 B4R0.1 COC(=O)N Z104476722 [2,0,0,0,0,0|2,0,0]=4 213 B4R0.1 C[C@@H](O)CO Z1255486379 [2,0,0,0,0,0|1,0,1]=4 214 B4R0.1 C[C@H](O)CO Z1255449993 [2,0,0,0,0,0|1,0,1]=4 215 B4R0.1 N=C(N)CO Z1259341033 [2,0,0,0,0,0|2,0,0]=4 216 B4R0.1 NC(=O)CF Z104475768 [2,0,0,0,0,0|2,0,0]=4 217 B4R0.1 NC(=O)CI Z1080376832 [2,0,0,0,0,0|2,0,0]=4 218 B4R0.1 NC(=O)CO Z424788508 [2,0,0,0,0,0|1,0,0]=3 219 B4R0.1 NC(=O)NO Z1203577934 [2,0,0,0,0,0|2,0,0]=4 220 B4R0.1 NCC(=O)N Z1262254285 [2,0,0,0,0,0|2,0,0]=4 221 B4R0.1 NCC(=O)O Z955123660 [2,0,0,0,0,0|1,0,0]=3 222 B4R0.1 O=C(O)CBr Z104473018 [2,0,0,0,0,0|1,0,0]=3 223 B4R0.1 O=C(O)CO Z104473274 [2,0,0,0,0,0|0,0,0]=2 224 B4R0.2 NC/C=C/Cl Z2941400887 [2,0,0,0,0,0|2,0,0]=4 225 B6R0.1 CCCC(=O)NO Z59181937 [1,1,0,0,0,0|1,0,1]=4 226 B6R0.1 CCNC(=O)CO Z431952024 [1,1,0,0,0,0|2,0,0]=4 227 B6R0.1 CCOC(=O)CO Z385458066 [1,1,0,0,0,0|2,0,0]=4 228 B6R0.1 CNC(=O)CCO Z975909370 [1,1,0,0,0,0|1,0,1]=4 229 B6R0.2 C/C(=C/C(=O)O)/I Z1508917269 [1,1,0,0,0,0|1,0,1]=4 230 B6R0.2 CC(=CC(=O)O)C Z104480144 [1,1,0,0,0,0|1,0,1]=4 231 B6R0.2 CC(C)CC(=O)O Z104474910 [1,1,0,0,0,0|1,0,1]=4 232 B6R0.2 CC(N)CC(=O)O Z147647144 [1,1,0,0,0,0|1,0,1]=4 233 B6R0.2 C[C@H](N)CC(=O)O Z1741969208 [1,1,0,0,0,0|1,0,1]=4 234 B6R0.2 O=C(O)C=C(Br)Br Z1416198234 [1,1,0,0,0,0|1,0,1]=4 235 B6R0.2 O=C(O)C=C(Cl)Cl Z1205493743 [1,1,0,0,0,0|1,0,1]=4 236 B6R0.2 O=C(O)CC(=O)O Z57965450 [1,1,0,0,0,0|0,0,2]=4 237 B6R0.4 C#CCCC(=O)O Z295890062 [1,1,0,0,0,0|1,0,1]=4 238 B6R0.4 C=CCCC(=O)O Z995028722 [1,1,0,0,0,0|1,0,1]=4 239 B6R0.4 CC/C=C/C(=O)O Z2311573931 [1,1,0,0,0,0|1,0,0]=3 240 B6R0.4 CCC#CC(=O)O Z1205493735 [1,1,0,0,0,0|1,0,1]=4 241 B6R0.4 CCCCC(=O)O Z104473312 [1,1,0,0,0,0|1,0,1]=4 242 B6R0.4 CCNCC(=O)O Z744593094 [1,1,0,0,0,0|1,0,1]=4 243 B6R0.4 CCOCC(=O)O Z104495232 [1,1,0,0,0,0|1,0,1]=4 244 B6R0.4 COCCC(=O)C Z362119682 [1,1,0,0,0,0|1,0,1]=4 245 B6R0.4 COCCC(=O)N Z394696458 [1,1,0,0,0,0|1,0,1]=4 246 B6R0.4 COCCC(=O)O Z285184634 [1,1,0,0,0,0|0,0,1]=3 247 B6R0.4 CS/C=C/C(=O)O Z1868430572 [1,1,0,0,0,0|0,1,1]=4 248 B6R0.4 CSCCC(=O)O Z54719251 [1,1,0,0,0,0|0,1,1]=4 249 B6R0.4 NC(=O)CCCO Z1203578394 [1,1,0,0,0,0|1,0,1]=4 250 B6R0.4 NC(=O)OCCO Z1198158440 [1,1,0,0,0,0|1,0,1]=4 251 B6R0.4 NCCCC(=O)O Z104475620 [1,1,0,0,0,0|1,0,1]=4 252 B6R0.4 O=C(O)/C=C/CO Z3178016098 [1,1,0,0,0,0|0,0,0]=2 253 B6R0.4 O=C(O)C#CCO Z1198169479 [1,1,0,0,0,0|0,0,1]=3 254 B6R0.4 O=C(O)CCCS Z147642510 [1,1,0,0,0,0|0,1,1]=4 255 B6R0.7 CC(=O)C(C)(C)O Z939661728 [1,1,0,0,0,0|1,0,1]=4 256 B6R0.7 CC(C)(F)C(=O)O Z1201622349 [1,1,0,0,0,0|1,0,1]=4 257 B6R0.7 CC(C)(N)C(=O)O Z317024776 [1,1,0,0,0,0|1,0,1]=4 258 B6R0.7 CC(Cl)(Cl)C(=O)O Z1205493591 [1,1,0,0,0,0|1,0,1]=4 259 B8R0.2 CC/C(=C(\C)/C(=O)O)/C Z1642058353 [0,1,0,0,0,1|2,0,0]=4 260 B8R0.5 CCC/C(=C/C(=O)O)/C Z352746820 [0,1,0,0,0,1|2,0,0]=4 261 B8R0.5 CCOC(=O)CC(=O)C Z104473158 [0,1,0,0,0,1|2,0,0]=4 262 B8R0.5 COC/C(=C/C(=O)O)/C Z992443856 [0,1,0,0,0,1|1,0,0]=3 263 B8R0.5 COCC(C)CC(=O)O Z992443864 [0,1,0,0,0,1|1,0,1]=4 264 B8R0.5 NC(=O)NC(=O)CCCl Z196931012 [0,1,0,0,0,1|2,0,0]=4 265 B8R0.16 CCC(=CC(=O)O)CC Z352746706 [0,1,0,0,0,1|2,0,0]=4 266 B8R0.19 CNC(=O)NC(=O)CCl Z56895734 [0,1,0,0,0,1|2,0,0]=4 267 B8R0.19 COC(=O)NC(=O)CCl Z57014427 [0,1,0,0,0,1|1,0,0]=3 268 B8R0.19 COC(=O)NC(=O)CI Z1250132865 [0,1,0,0,0,1|1,0,0]=3 269 B8R0.23 C/C(=C\C(=O)O)/C(=O)O Z104476308 [0,1,0,0,0,1|1,0,1]=4 270 B8R0.23 C=C(CC(=O)O)C(=O)O Z57127539 [0,1,0,0,0,1|1,0,1]=4 271 B8R0.23 CC(=O)CC(=O)C(C)C Z1021460926 [0,1,0,0,0,1|2,0,0]=4 272 B8R0.23 CC(Cl)C(=O)NC(=O)N Z56915885 [0,1,0,0,0,1|2,0,0]=4 273 B8R0.23 CN(C)C(=O)CC(=O)O Z963467438 [0,1,0,0,0,1|2,0,0]=4 274 B8R0.23 O=C(O)/C=C(\I)/C(=O)O Z540727104 [0,1,0,0,0,1|1,0,1]=4 275 B8R0.23 O=C(O)CC(=O)C(=O)O Z271128590 [0,1,0,0,0,1|0,0,1]=3 276 B8R0.24 O=C(CP(=O)(O)O)NO Z1999520090 [0,1,0,0,0,1|2,0,0]=4 277 B8R0.34 CCS(=O)(=O)CC(=O)O Z295402464 [0,1,0,0,0,1|2,0,0]=4 278 B8R0.3 CCOC(=O)C(C)CO Z852748566 [0,2,0,0,0,0|1,0,1]=4 279 B8R0.3 COC(=O)N(C)CCO Z371625398 [0,2,0,0,0,0|2,0,0]=4 280 B8R0.8 CCOCC(C)C(=O)O Z431541098 [0,2,0,0,0,0|1,0,1]=4 281 B8R0.8 CCOC[C@@H](N)C(=O)O Z2418414224 [0,2,0,0,0,0|1,0,1]=4 282 B8R0.8 COCCC(C)C(=O)O Z756390554 [0,2,0,0,0,0|1,0,1]=4 283 B8R0.8 COCCC(N)C(=O)O Z317025018 [0,2,0,0,0,0|1,0,1]=4 284 B8R0.8 NOCC[C@H](N)C(=O)O Z2941378358 [0,2,0,0,0,0|1,0,1]=4 285 B8R0.12 COCC(C)(C)C(=O)O Z1198275672 [0,2,0,0,0,0|1,0,1]=4 286 B8R0.12 COCC(C)(N)C(=O)O Z1346385711 [0,2,0,0,0,0|1,0,1]=4 287 B8R0.12 COCC(C)(O)C(=O)O Z992448466 [0,2,0,0,0,0|0,0,2]=4 288 B8R0.15 CCNC(CO)C(=O)O Z4780865118 [0,2,0,0,0,0|1,0,1]=4 289 B8R0.15 CNC(COC)C(=O)O Z1250132318 [0,2,0,0,0,0|1,0,1]=4 290 B8R0.20 CCC(CO)C(=O)OC Z1255448041 [0,2,0,0,0,0|1,0,1]=4 291 B8R0.37 CC(O)C(C)(N)C(=O)O Z2768110660 [0,2,0,0,0,0|1,0,1]=4 292 B8R0.37 CC(O)C(C)(O)C(=O)O Z1205494313 [0,2,0,0,0,0|0,0,2]=4 293 B8R0.27 C=C(C(=O)O)C(F)(F)F Z826034004 [0,2,0,0,0,0|2,0,0]=4 294 B8R0.27 CC(C)(C)C(=O)C(=O)O Z1187714783 [0,2,0,0,0,0|1,0,0]=3 295 B8R0.27 CC(C)(O)C(O)C(=O)O Z1205493888 [0,2,0,0,0,0|0,0,2]=4 296 B8R0.27 CC(C)(O)[C@@H](O)C(=O)O Z1205494143 [0,2,0,0,0,0|0,0,2]=4 297 B8R0.18 CC(C)C(CO)C(=O)O Z1205494781 [0,2,0,0,0,0|1,0,1]=4 298 B6R1.2 O=C1C=CCO1 Z1219048777 [1,0,0,1,0,0|1,0,1]=4 299 B6R1.2 O=C1NCCO1 Z104474784 [1,0,0,1,0,0|2,0,0]=4 300 B6R1.2 O=C1OCCO1 Z1172235744 [1,0,0,1,0,0|2,0,0]=4 301 B6R1.2 OC1=NOC=C1 Z1255501207 [1,0,0,1,0,0|1,0,1]=4 302 B8R1.1 CC1=NC(=NO1)CO Z431951982 [0,0,0,1,0,1|2,0,0]=4 303 B8R1.1 NCC1=NC(=O)ON1 Z1497158708 [0,0,0,1,0,1|2,0,0]=4 304 B8R1.1 O=C1C=C(CO1)CO Z1486015893 [0,0,0,1,0,1|1,0,0]=3 305 B8R1.1 O=C1N[C@H](CO1)CO Z1203731623 [0,0,0,1,0,1|1,0,1]=4 306 B8R1.1 OCC1=NNC(=C1)O Z1198176676 [0,0,0,1,0,1|2,0,0]=4 307 B8R1.4 O=C1CCCC(=O)N1 Z424792856 [0,0,0,1,0,1|2,0,0]=4 308 B8R1.4 O=C1CCNC(=O)N1 Z57033885 [0,0,0,1,0,1|2,0,0]=4 309 B8R1.4 O=C1CCSC(=O)N1 Z56871611 [0,0,0,1,0,1|1,1,0]=4 310 B8R1.4 O=C1COCC(=O)N1 Z802811418 [0,0,0,1,0,1|1,0,0]=3 311 B8R1.4 O=C1COCC(=O)O1 Z85923414 [0,0,0,1,0,1|1,0,0]=3 312 B8R1.4 O=C1CSCC(=O)C1 Z1255373195 [0,0,0,1,0,1|1,1,0]=4 313 B8R1.18 CC1CC(=O)NC1=O Z729209272 [0,0,0,1,0,1|2,0,0]=4 314 B8R1.18 CC1NC(=O)NC1=O Z56862247 [0,0,0,1,0,1|2,0,0]=4 315 B8R1.18 NC1CC(=O)NC1=O Z2901974060 [0,0,0,1,0,1|2,0,0]=4 316 B8R1.31 O=C(O)C1=C(CC1)Cl Z3358630818 [0,0,0,1,0,1|2,0,0]=4 317 B8R1.34 O=C(O)C=C1CCC1 Z1205494261 [0,0,0,1,0,1|2,0,0]=4 318 B8R1.5 O=C1C=COC=C1O Z1198235068 [0,1,0,1,0,0|1,0,1]=4 319 B8R1.5 O=C1CCCCC1=O Z90122041 [0,1,0,1,0,0|2,0,0]=4 320 B8R1.5 O=C1COC=CC1=S Z1513610972 [0,1,0,1,0,0|1,1,0]=4 321 B8R1.7 O=C(O)C1=CCCC1 Z1205493596 [0,1,0,1,0,0|2,0,0]=4 322 B8R1.7 O=C(O)C1=CCCS1 Z1205451212 [0,1,0,1,0,0|1,1,0]=4 323 B8R1.7 O=C(O)C1=COC=C1 Z164706016 [0,1,0,1,0,0|1,0,1]=4 324 B8R1.7 O=C(O)C1=COC=N1 Z1095349994 [0,1,0,1,0,0|1,0,1]=4 325 B8R1.7 O=C(O)C1=COCC1 Z1013753090 [0,1,0,1,0,0|1,0,0]=3 326 B8R1.7 O=C(O)C1=NOC=C1 Z147642256 [0,1,0,1,0,0|1,0,1]=4 327 B8R1.7 O=C(O)C1=NOCC1 Z1205494291 [0,1,0,1,0,0|1,0,0]=3 328 B8R1.7 O=C(O)C1=NON=C1 Z1201620383 [0,1,0,1,0,0|1,0,1]=4 329 B8R1.7 O=C(O)C1CCOC1 Z381356480 [0,1,0,1,0,0|1,0,1]=4 330 B8R1.78 CC1(COC1)C(=O)O Z1198234535 [0,1,0,1,0,0|1,0,1]=4 331 B8R1.11 CC1=C(C=CO1)CO Z397587324 [0,1,0,1,0,0|2,0,0]=4 332 B8R1.11 CC1=NON=C1CO Z1188433422 [0,1,0,1,0,0|2,0,0]=4 333 B8R1.25 O=C1C(=O)C(=C1O)O Z56347217 [0,1,0,1,0,0|0,0,1]=3 334 B8R1.39 COC(=O)C1(CO1)C Z1255365078 [0,1,0,1,0,0|1,0,1]=4 335 B8R1.50 CC1=C(C(=O)CC1)O Z1483987834 [0,1,0,1,0,0|2,0,0]=4 336 B8R1.50 CC1=C(C(=O)OC1)O Z1255374651 [0,1,0,1,0,0|1,0,0]=3 337 B8R1.50 CN1C(=O)COC1=O Z1618025816 [0,1,0,1,0,0|2,0,0]=4 338 B8R1.50 O=C1CCC(=O)N1O Z56933833 [0,1,0,1,0,0|2,0,0]=4 339 B8R1.50 O=C1OCC(=C1Cl)Cl Z1198160971 [0,1,0,1,0,0|2,0,0]=4 340 B8R1.63 O=C(O)C1(CC1)CO Z1205494853 [0,1,0,1,0,0|1,0,1]=4 341 B8R1.63 O=CC1(CC1)C(=O)O Z1205496088 [0,1,0,1,0,0|1,0,1]=4 342 B8R0.9 CC(=O)NNC(=O)CCl Z56347435 [0,0,0,0,0,2|2,0,0]=4 343 B8R0.9 CCC(=O)CCC(=O)O Z838955680 [0,0,0,0,0,2|1,0,0]=3 344 B8R0.9 CCC(=O)NCC(=O)O Z85886715 [0,0,0,0,0,2|1,0,0]=3 345 B8R0.9 CNC(=O)CCC(=O)O Z429593572 [0,0,0,0,0,2|2,0,0]=4 346 B8R0.9 CNC(=O)NCC(=O)O Z223126780 [0,0,0,0,0,2|2,0,0]=4 347 B8R0.9 COC(=O)/C=C/C(=O)O Z2315585555 [0,0,0,0,0,2|2,0,0]=4 348 B8R0.9 COC(=O)CCC(=O)O Z57663583 [0,0,0,0,0,2|2,0,0]=4 349 B8R0.9 COC(=O)NCC(=O)O Z111492620 [0,0,0,0,0,2|2,0,0]=4 350 B8R0.9 NCC(=O)CCC(=O)O Z1741972992 [0,0,0,0,0,2|1,0,0]=3 351 B8R0.9 NCC(=O)NCC(=O)O Z56896934 [0,0,0,0,0,2|1,0,0]=3