0 B6R0.3 C=CC(N)C(=O)O Z3244810526 [0,0,0,0,0,0|1,0,2]=3 1 B6R0.3 CC(C#N)C(=O)O Z852759720 [0,0,0,0,0,0|1,0,2]=3 2 B6R0.3 CC(CN)C(=O)O Z431542704 [0,0,0,0,0,0|1,0,2]=3 3 B6R0.3 CC(CO)C(=O)O Z431541400 [0,0,0,0,0,0|1,0,2]=3 4 B6R0.3 CCC(C)C(=N)N Z823287482 [0,0,0,0,0,0|2,0,2]=4 5 B6R0.3 CCC(C)C(=O)N Z270978420 [0,0,0,0,0,0|1,0,2]=3 6 B6R0.3 CCC(C)C(=O)O Z237374874 [0,0,0,0,0,0|0,0,2]=2 7 B6R0.3 CCC(N)C(=O)O Z104495144 [0,0,0,0,0,0|1,0,2]=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 CCN(C)C(=N)N Z1718490393 [0,0,0,0,0,0|3,0,1]=4 11 B6R0.3 CC[C@@H](N)C(=O)O Z904976986 [0,0,0,0,0,0|1,0,2]=3 12 B6R0.3 CC[C@H](C)C(=O)O Z1205493564 [0,0,0,0,0,0|0,0,2]=2 13 B6R0.3 CC[C@H](N)C(=O)O Z1741965569 [0,0,0,0,0,0|1,0,2]=3 14 B6R0.3 CN(N=O)C(=O)N Z104475776 [0,0,0,0,0,0|4,0,0]=4 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|1,0,1]=2 17 B6R0.3 CN[C@@H](C)C(=O)N Z2143576643 [0,0,0,0,0,0|2,0,1]=3 18 B6R0.3 COC(=O)C(=N)N Z1198220825 [0,0,0,0,0,0|4,0,0]=4 19 B6R0.3 COC(C)C(=N)N Z1365534351 [0,0,0,0,0,0|3,0,1]=4 20 B6R0.3 COC(C)C(=O)C Z447898138 [0,0,0,0,0,0|2,0,1]=3 21 B6R0.3 COC(C)C(=O)N Z223645218 [0,0,0,0,0,0|2,0,1]=3 22 B6R0.3 COC(C)C(=O)O Z316258898 [0,0,0,0,0,0|1,0,1]=2 23 B6R0.3 CSC(C)C(=N)N Z5622504221 [0,0,0,0,0,0|3,0,1]=4 24 B6R0.3 CSC(C)C(=O)O Z149191750 [0,0,0,0,0,0|1,0,1]=2 25 B6R0.3 CSC(C)C(C)O Z1273036711 [0,0,0,0,0,0|2,0,2]=4 26 B6R0.3 NC(CO)C(=O)O Z57396986 [0,0,0,0,0,0|2,0,2]=4 27 B6R0.3 NC(CS)C(=O)O Z966690626 [0,0,0,0,0,0|2,0,2]=4 28 B6R0.3 NCC(N)C(=O)O Z2465863279 [0,0,0,0,0,0|2,0,2]=4 29 B6R0.3 NC[C@@H](F)C(=O)O Z2695741427 [0,0,0,0,0,0|2,0,2]=4 30 B6R0.3 NNC(=O)C(=O)O Z3068042919 [0,0,0,0,0,0|3,0,0]=3 31 B6R0.3 N[C@@H](CO)C(=O)O Z756440058 [0,0,0,0,0,0|2,0,2]=4 32 B6R0.3 N[C@@H](CS)C(=O)O Z760035162 [0,0,0,0,0,0|2,0,2]=4 33 B6R0.3 N[C@H](CO)C(=O)O Z1070067572 [0,0,0,0,0,0|2,0,2]=4 34 B6R0.3 O=C(O)C(=O)CBr Z1079181768 [0,0,0,0,0,0|2,0,1]=3 35 B5R0.1 C#CCC(=O)O Z295890060 [1,0,0,0,0,0|0,0,3]=4 36 B5R0.1 C/C=C/C(=O)O Z104476026 [1,0,0,0,0,0|0,0,0]=1 37 B5R0.1 CC#CC(=O)N Z1203579284 [1,0,0,0,0,0|1,0,2]=4 38 B5R0.1 CCCC(=O)N Z33546461 [1,0,0,0,0,0|1,0,2]=4 39 B5R0.1 CCCC(=O)O Z104495380 [1,0,0,0,0,0|0,0,2]=3 40 B5R0.1 CCOC(=O)N Z33546369 [1,0,0,0,0,0|2,0,1]=4 41 B5R0.1 CNCC(=O)N Z415678308 [1,0,0,0,0,0|2,0,1]=4 42 B5R0.1 CNCC(=O)O Z104480276 [1,0,0,0,0,0|1,0,1]=3 43 B5R0.1 COCC(=O)N Z33546778 [1,0,0,0,0,0|2,0,1]=4 44 B5R0.1 COCC(=O)O Z104477404 [1,0,0,0,0,0|1,0,1]=3 45 B5R0.1 CSCC(=O)N Z33545668 [1,0,0,0,0,0|2,0,1]=4 46 B5R0.1 N#CCC(=O)O Z104476112 [1,0,0,0,0,0|1,0,2]=4 47 B5R0.1 NCCC(=O)O Z57127544 [1,0,0,0,0,0|1,0,2]=4 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|1,0,0]=2 50 B5R0.1 O=C(O)CCCl Z203045320 [1,0,0,0,0,0|1,0,2]=4 51 B5R0.1 O=C(O)CCS Z104474322 [1,0,0,0,0,0|1,0,2]=4 52 B5R0.1 O=C(O)CNO Z1205493750 [1,0,0,0,0,0|2,0,1]=4 53 B5R0.3 C/N=C(\C)/NC Z1431002714 [1,0,0,0,0,0|3,0,0]=4 54 B5R0.3 CC/C(=N/O)/N Z241067842 [1,0,0,0,0,0|2,0,1]=4 55 B5R0.3 CCN(C)C=O Z1258520870 [1,0,0,0,0,0|1,0,1]=3 56 B5R0.3 CCN(C)N=O Z1198147516 [1,0,0,0,0,0|2,0,1]=4 57 B5R0.3 CNC(=O)CO Z431952700 [1,0,0,0,0,0|2,0,1]=4 58 B5R0.3 COC(C)CO Z1198150719 [1,0,0,0,0,0|1,0,2]=4 59 B5R0.3 CSC(C)CO Z1273053291 [1,0,0,0,0,0|1,0,2]=4 60 B5R0.3 OC/C(=C/I)/I Z4691071538 [1,0,0,0,0,0|2,0,1]=4 61 B5R0.5 C=C(Cl)C(=O)O Z1201617183 [1,0,0,0,0,0|1,0,0]=2 62 B5R0.5 CC(=C(Cl)Cl)Cl Z1198148250 [1,0,0,0,0,0|3,0,0]=4 63 B5R0.5 CC(=N)N(C)C Z1428159819 [1,0,0,0,0,0|3,0,0]=4 64 B5R0.5 CC(=O)C(=O)O Z104495240 [1,0,0,0,0,0|1,0,0]=2 65 B5R0.5 CC(=O)C(C)N Z1263529525 [1,0,0,0,0,0|2,0,1]=4 66 B5R0.5 CC(Br)C(=O)O Z57127555 [1,0,0,0,0,0|1,0,1]=3 67 B5R0.5 CC(C)C(=N)N Z381357616 [1,0,0,0,0,0|2,0,1]=4 68 B5R0.5 CC(C)C(=O)N Z57046209 [1,0,0,0,0,0|1,0,1]=3 69 B5R0.5 CC(C)C(=O)O Z104473380 [1,0,0,0,0,0|0,0,1]=2 70 B5R0.5 CC(C)[N+](=O)[O-] Z104474978 [1,0,0,0,0,0|1,0,2]=4 71 B5R0.5 CC(Cl)C(=O)N Z56924427 [1,0,0,0,0,0|2,0,1]=4 72 B5R0.5 CC(Cl)C(=O)O Z147646840 [1,0,0,0,0,0|1,0,1]=3 73 B5R0.5 CC(N)C(=O)N Z54749436 [1,0,0,0,0,0|2,0,1]=4 74 B5R0.5 CC(N)C(=O)O Z57396987 [1,0,0,0,0,0|1,0,1]=3 75 B5R0.5 CC(O)C(=O)N Z57206008 [1,0,0,0,0,0|2,0,1]=4 76 B5R0.5 CC(S)C(=O)O Z104477082 [1,0,0,0,0,0|1,0,1]=3 77 B5R0.5 CN(C)C(=N)N Z1839480548 [1,0,0,0,0,0|3,0,0]=4 78 B5R0.5 CN(C)C(=S)N Z56347524 [1,0,0,0,0,0|2,1,0]=4 79 B5R0.5 C[C@@H](N)C(=O)O Z802692914 [1,0,0,0,0,0|1,0,1]=3 80 B5R0.5 C[C@H](N)C(=O)N Z359371050 [1,0,0,0,0,0|2,0,1]=4 81 B5R0.5 C[C@H](N)C(=O)O Z756424912 [1,0,0,0,0,0|1,0,1]=3 82 B5R0.5 O=C(O)C(=O)O Z1741978903 [1,0,0,0,0,0|2,0,0]=3 83 B5R0.5 O=C(O)C(Cl)Cl Z104476414 [1,0,0,0,0,0|2,0,1]=4 84 B5R0.5 O=C(O)C(F)F Z104474070 [1,0,0,0,0,0|2,0,1]=4 85 B7R0.5 C/C(=C\CO)/C(C)C Z1896171007 [0,1,0,0,0,0|2,0,1]=4 86 B7R0.5 C/C=C/C(O)C(=O)O Z2515207189 [0,1,0,0,0,0|1,0,1]=3 87 B7R0.5 C=CCC(N)C(=O)O Z317024964 [0,1,0,0,0,0|1,0,2]=4 88 B7R0.5 C=CC[C@@H](N)C(=O)O Z1374884973 [0,1,0,0,0,0|1,0,2]=4 89 B7R0.5 CC(CCN)C(=O)O Z2298167292 [0,1,0,0,0,0|0,0,2]=3 90 B7R0.5 CC(NC=O)C(=O)O Z56757230 [0,1,0,0,0,0|1,0,1]=3 91 B7R0.5 CCCC(C)C(=O)O Z104477112 [0,1,0,0,0,0|0,0,2]=3 92 B7R0.5 CCCC(N)C(=O)O Z317024724 [0,1,0,0,0,0|1,0,2]=4 93 B7R0.5 CCC[C@@H](N)C(=O)O Z763365012 [0,1,0,0,0,0|1,0,2]=4 94 B7R0.5 CCC[C@H](N)C(=O)O Z1033300662 [0,1,0,0,0,0|1,0,2]=4 95 B7R0.5 CCNC(C)C(=O)O Z3181996310 [0,1,0,0,0,0|0,0,2]=3 96 B7R0.5 CCOC(=O)C(=O)C Z104472090 [0,1,0,0,0,0|2,0,1]=4 97 B7R0.5 CCOC(=O)C(=O)N Z104475764 [0,1,0,0,0,0|2,0,1]=4 98 B7R0.5 CCOC(C)C(=O)O Z316258934 [0,1,0,0,0,0|0,0,2]=3 99 B7R0.5 CNCC(C)C(=O)O Z1270387301 [0,1,0,0,0,0|0,0,2]=3 100 B7R0.5 COCC(C)C(=O)O Z431541094 [0,1,0,0,0,0|0,0,2]=3 101 B7R0.5 COCC(N)C(=O)O Z1613478163 [0,1,0,0,0,0|1,0,2]=4 102 B7R0.5 CSCC(C)C(=O)O Z732206684 [0,1,0,0,0,0|0,0,2]=3 103 B7R0.5 CSCC(N)C(=O)O Z317025996 [0,1,0,0,0,0|1,0,2]=4 104 B7R0.5 NC(CCF)C(=O)O Z2470036329 [0,1,0,0,0,0|1,0,2]=4 105 B7R0.5 NC(CCO)C(=O)O Z234896487 [0,1,0,0,0,0|1,0,2]=4 106 B7R0.5 NCCC(F)C(=O)O Z3235903750 [0,1,0,0,0,0|1,0,2]=4 107 B7R0.5 NCC[C@H](N)C(=O)O Z1741978716 [0,1,0,0,0,0|1,0,2]=4 108 B7R0.5 NCC[C@H](O)C(=O)O Z1203578154 [0,1,0,0,0,0|1,0,2]=4 109 B7R0.5 N[C@@H](CCO)C(=O)O Z1172369006 [0,1,0,0,0,0|1,0,2]=4 110 B7R0.5 N[C@H](CCO)C(=O)O Z608345098 [0,1,0,0,0,0|1,0,2]=4 111 B7R0.10 C=C(CBr)C(=O)OC Z1255364717 [0,1,0,0,0,0|1,0,2]=4 112 B7R0.10 CCC(=O)C(=O)CC Z104472286 [0,1,0,0,0,0|2,0,1]=4 113 B7R0.10 CCC(C)C(=N)OC Z975823972 [0,1,0,0,0,0|1,0,2]=4 114 B7R0.10 CCC(C)C(=O)CN Z4526173679 [0,1,0,0,0,0|1,0,2]=4 115 B7R0.10 CCN(C)C(=O)CN Z409025350 [0,1,0,0,0,0|2,0,1]=4 116 B7R0.10 CCN(C)C(=O)NC Z1042069854 [0,1,0,0,0,0|2,0,1]=4 117 B7R0.10 COC(=O)C(C)CN Z1357902409 [0,1,0,0,0,0|1,0,2]=4 118 B7R0.10 COC(=O)C(C)SC Z821313006 [0,1,0,0,0,0|1,0,1]=3 119 B7R0.13 C=CC(C)(O)C(=O)O Z1198182953 [0,1,0,0,0,0|0,0,2]=3 120 B7R0.13 CC(Br)(CBr)C(=O)O Z104503534 [0,1,0,0,0,0|1,0,2]=4 121 B7R0.13 CC(C)(C#N)C(=O)O Z426041322 [0,1,0,0,0,0|1,0,2]=4 122 B7R0.13 CC(C)(CF)C(=O)O Z1205495490 [0,1,0,0,0,0|1,0,2]=4 123 B7R0.13 CC(C)(CN)C(=O)O Z2235387237 [0,1,0,0,0,0|1,0,2]=4 124 B7R0.13 CC(C)(CO)C(=O)O Z997726628 [0,1,0,0,0,0|1,0,2]=4 125 B7R0.13 CC(N)(CN)C(=O)O Z2050725177 [0,1,0,0,0,0|1,0,2]=4 126 B7R0.13 CC(N)(CO)C(=O)O Z1509051726 [0,1,0,0,0,0|1,0,2]=4 127 B7R0.13 CC(O)(CO)C(=O)O Z1205493767 [0,1,0,0,0,0|1,0,2]=4 128 B7R0.13 CCC(C)(Br)C(=O)O Z1198221945 [0,1,0,0,0,0|0,0,2]=3 129 B7R0.13 CCC(C)(C)C(=O)N Z995039228 [0,1,0,0,0,0|1,0,2]=4 130 B7R0.13 CCC(C)(C)C(=O)O Z995036360 [0,1,0,0,0,0|0,0,2]=3 131 B7R0.13 CCC(C)(N)C(=O)N Z992716994 [0,1,0,0,0,0|1,0,2]=4 132 B7R0.13 CCC(C)(N)C(=O)O Z317024736 [0,1,0,0,0,0|0,0,2]=3 133 B7R0.13 CCC(C)(O)C(=O)O Z788000964 [0,1,0,0,0,0|0,0,2]=3 134 B7R0.13 CNC(C)(C)C(=O)N Z2230911127 [0,1,0,0,0,0|2,0,1]=4 135 B7R0.13 CNC(C)(C)C(=O)O Z2381576028 [0,1,0,0,0,0|1,0,1]=3 136 B7R0.13 COC(C)(C)C(=O)C Z1216835214 [0,1,0,0,0,0|2,0,1]=4 137 B7R0.13 COC(C)(C)C(=O)O Z803492148 [0,1,0,0,0,0|1,0,1]=3 138 B7R0.13 CSC(C)(C)C(=O)O Z803544000 [0,1,0,0,0,0|1,0,1]=3 139 B7R0.15 CCC(C#N)C(=O)O Z1117899421 [0,1,0,0,0,0|0,0,3]=4 140 B7R0.15 CCC(CC)C(=O)N Z365255920 [0,1,0,0,0,0|1,0,2]=4 141 B7R0.15 CCC(CO)C(=O)[O-] Z2442085377 [0,1,0,0,0,0|0,0,3]=4 142 B7R0.15 CCC(NC)C(=O)O Z818727142 [0,1,0,0,0,0|0,0,2]=3 143 B7R0.15 CCC(OC)C(=O)O Z449367058 [0,1,0,0,0,0|0,0,2]=3 144 B7R0.15 CCC(SC)C(=O)O Z732206700 [0,1,0,0,0,0|0,0,2]=3 145 B7R0.15 CCN(OC)C(=O)C Z1689168852 [0,1,0,0,0,0|2,0,1]=4 146 B7R0.15 CNC(CN)C(=O)O Z1982493964 [0,1,0,0,0,0|1,0,1]=3 147 B7R0.15 COC(CN)C(=O)O Z1603778808 [0,1,0,0,0,0|1,0,1]=3 148 B7R0.15 COC(OC)C(=O)N Z56754520 [0,1,0,0,0,0|2,0,1]=4 149 B7R0.15 NCC(CN)C(=O)O Z5183354524 [0,1,0,0,0,0|1,0,2]=4 150 B7R0.16 CC(=C(F)C(=O)O)C Z1205494362 [0,1,0,0,0,0|1,0,0]=2 151 B7R0.16 CC(=C(F)F)C(=O)O Z1205497572 [0,1,0,0,0,0|1,0,0]=2 152 B7R0.16 CC(=O)C(C)C(=O)C Z56943775 [0,1,0,0,0,0|1,0,1]=3 153 B7R0.16 CC(=O)C(N)C(=O)C Z360059858 [0,1,0,0,0,0|2,0,1]=4 154 B7R0.16 CC(C(=O)N)C(=O)N Z1203578231 [0,1,0,0,0,0|2,0,1]=4 155 B7R0.16 CC(C(=O)N)N(C)C Z4968292210 [0,1,0,0,0,0|2,0,1]=4 156 B7R0.16 CC(C(=O)O)C(=O)O Z787653408 [0,1,0,0,0,0|1,0,1]=3 157 B7R0.16 CC(C)C(Br)C(=O)O Z203888738 [0,1,0,0,0,0|1,0,2]=4 158 B7R0.16 CC(C)C(C)C(=O)O Z756391682 [0,1,0,0,0,0|0,0,2]=3 159 B7R0.16 CC(C)C(Cl)C(=O)O Z336080700 [0,1,0,0,0,0|1,0,2]=4 160 B7R0.16 CC(C)C(N)C(=O)O Z57127382 [0,1,0,0,0,0|1,0,2]=4 161 B7R0.16 CC(C)C(S)C(=O)O Z808230896 [0,1,0,0,0,0|1,0,2]=4 162 B7R0.16 CC(C)[C@@H](N)C(=O)O Z813018028 [0,1,0,0,0,0|1,0,2]=4 163 B7R0.16 CC(C)[C@H](N)C(=O)O Z756430564 [0,1,0,0,0,0|1,0,2]=4 164 B7R0.16 CC(N)C(C)C(=O)O Z1198162847 [0,1,0,0,0,0|0,0,2]=3 165 B7R0.16 CC(O)C(C)C(=O)O Z982137146 [0,1,0,0,0,0|0,0,2]=3 166 B7R0.16 C[C@@H](C(=O)O)N(C)C Z1350606494 [0,1,0,0,0,0|1,0,1]=3 167 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O Z1201618669 [0,1,0,0,0,0|1,0,2]=4 168 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O Z813019058 [0,1,0,0,0,0|1,0,2]=4 169 B7R0.16 C[C@H](C(=O)O)N(C)C Z1205493968 [0,1,0,0,0,0|1,0,1]=3 170 B7R0.16 C[C@H](O)[C@H](N)C(=O)O Z1162448524 [0,1,0,0,0,0|1,0,2]=4 171 B7R0.16 O=C(O)C(O)C(=O)O Z90123595 [0,1,0,0,0,0|2,0,1]=4 172 B7R1.4 C=C1CCOC1=O Z1255438435 [0,0,0,1,0,0|0,0,2]=3 173 B7R1.4 CC1=C(C=NO1)I Z1269175158 [0,0,0,1,0,0|3,0,0]=4 174 B7R1.4 CC1=C(C=NO1)N Z1465461252 [0,0,0,1,0,0|3,0,0]=4 175 B7R1.4 CC1=C(ON=C1)N Z815305382 [0,0,0,1,0,0|2,0,0]=3 176 B7R1.4 CC1=C(SN=C1)N Z3716437679 [0,0,0,1,0,0|2,1,0]=4 177 B7R1.4 CC1=CNC=C1C Z1198162792 [0,0,0,1,0,0|3,0,0]=4 178 B7R1.4 CC1=CON=C1N Z995041844 [0,0,0,1,0,0|3,0,0]=4 179 B7R1.4 CC1=CSC=C1N Z1492796718 [0,0,0,1,0,0|3,0,0]=4 180 B7R1.4 CC1CCCC1=O Z813018382 [0,0,0,1,0,0|1,0,2]=4 181 B7R1.4 CC1CCNC1=O Z1198147219 [0,0,0,1,0,0|1,0,2]=4 182 B7R1.4 CC1NCCC1=O Z2733314209 [0,0,0,1,0,0|2,0,1]=4 183 B7R1.4 CN1C=CNC1=O Z1198329852 [0,0,0,1,0,0|2,0,1]=4 184 B7R1.4 CN1C=COC1=O Z2732441923 [0,0,0,1,0,0|1,0,1]=3 185 B7R1.4 CN1C=NNC1=O Z1526503443 [0,0,0,1,0,0|3,0,0]=4 186 B7R1.4 CN1CCCC1=O Z104478382 [0,0,0,1,0,0|2,0,1]=4 187 B7R1.4 CN1CCNC1=O Z336079928 [0,0,0,1,0,0|2,0,1]=4 188 B7R1.4 NC1=CNNC1=O Z2216303144 [0,0,0,1,0,0|3,0,0]=4 189 B7R1.4 NC1CCOC1=O Z56921763 [0,0,0,1,0,0|1,0,2]=4 190 B7R1.4 NN1CCOC1=O Z1198147716 [0,0,0,1,0,0|2,0,1]=4 191 B7R1.4 OC1=NSC=C1Br Z3243456041 [0,0,0,1,0,0|3,0,0]=4 192 B7R1.12 CC(=O)C1CC1C Z1259336498 [0,0,0,1,0,0|1,0,2]=4 193 B7R1.12 CC1CC1C(=O)N Z33546780 [0,0,0,1,0,0|1,0,2]=4 194 B7R1.12 C[C@@H]1C[C@H]1C(=O)O Z1205493848 [0,0,0,1,0,0|0,0,2]=3 195 B7R1.12 C[C@H]1C[C@@H]1C(=O)O Z1205494110 [0,0,0,1,0,0|0,0,2]=3 196 B7R1.18 NC(=O)C1CCC1 Z33546656 [0,0,0,1,0,0|1,0,2]=4 197 B7R1.18 O=C(O)C1CCC1 Z104472264 [0,0,0,1,0,0|0,0,2]=3 198 B7R1.18 O=C(O)C1CCN1 Z168878270 [0,0,0,1,0,0|1,0,1]=3 199 B7R1.18 O=C(O)C1CNC1 Z1171217434 [0,0,0,1,0,0|1,0,2]=4 200 B7R1.18 O=C(O)C1CSC1 Z1205495555 [0,0,0,1,0,0|1,0,2]=4 201 B7R1.19 CC(=O)C1(CC1)C Z56969338 [0,0,0,1,0,0|1,0,2]=4 202 B7R1.19 CC(=O)C1(CO1)C Z1201620091 [0,0,0,1,0,0|2,0,1]=4 203 B7R1.19 CC1(CC1)C(=O)N Z1203578696 [0,0,0,1,0,0|1,0,2]=4 204 B7R1.19 CC1(CC1)C(=O)O Z1205493633 [0,0,0,1,0,0|0,0,2]=3 205 B7R1.19 NC1(CC1)C(=O)O Z235362779 [0,0,0,1,0,0|1,0,2]=4 206 B7R1.19 O=C(O)C1(CC1)O Z216340524 [0,0,0,1,0,0|1,0,2]=4 207 B7R0.2 C=CC(=O)NC(=O)N Z837062938 [0,0,0,0,0,1|2,0,1]=4 208 B7R0.2 CC(CN)CC(=O)O Z1436472873 [0,0,0,0,0,1|1,0,2]=4 209 B7R0.2 CC/C(=C/C(=O)O)/C Z2583321519 [0,0,0,0,0,1|0,0,1]=2 210 B7R0.2 CCC(=O)CC(=O)C Z1013699870 [0,0,0,0,0,1|2,0,1]=4 211 B7R0.2 CCC(C)CC(=O)O Z352782882 [0,0,0,0,0,1|0,0,2]=3 212 B7R0.2 CCC(C)NC(=O)N Z56979270 [0,0,0,0,0,1|1,0,2]=4 213 B7R0.2 CCC(N)CC(=O)O Z1708090940 [0,0,0,0,0,1|1,0,2]=4 214 B7R0.2 CCN(C)CC(=O)O Z1459897022 [0,0,0,0,0,1|1,0,1]=3 215 B7R0.2 CN(CC(=O)O)N=O Z1198151307 [0,0,0,0,0,1|3,0,0]=4 216 B7R0.2 CNC(=O)CC(=O)O Z963467722 [0,0,0,0,0,1|2,0,0]=3 217 B7R0.2 CNC(=O)NC(=O)N Z56755567 [0,0,0,0,0,1|3,0,0]=4 218 B7R0.2 CNC(C)CC(=O)N Z3070230004 [0,0,0,0,0,1|2,0,1]=4 219 B7R0.2 COC(C)CC(=O)O Z431536426 [0,0,0,0,0,1|1,0,1]=3 220 B4R0.1 C#CC(=O)O Z104493798 [2,0,0,0,0,0|0,0,2]=4 221 B4R0.1 C=C(Br)CO Z600440434 [2,0,0,0,0,0|1,0,1]=4 222 B4R0.1 C=CC(=C)C Z104474660 [2,0,0,0,0,0|0,0,1]=3 223 B4R0.1 C=CC(=O)O Z57127944 [2,0,0,0,0,0|0,0,0]=2 224 B4R0.1 CC(=O)C=O Z104495190 [2,0,0,0,0,0|1,0,0]=3 225 B4R0.1 CC(=O)CN Z1262398366 [2,0,0,0,0,0|1,0,1]=4 226 B4R0.1 CC(=O)NN Z58981787 [2,0,0,0,0,0|2,0,0]=4 227 B4R0.1 CC(=O)NO Z59181917 [2,0,0,0,0,0|2,0,0]=4 228 B4R0.1 CC(C)NO Z1198161074 [2,0,0,0,0,0|1,0,1]=4 229 B4R0.1 CCC(=O)N Z33546482 [2,0,0,0,0,0|1,0,1]=4 230 B4R0.1 CCC(=O)O Z104474154 [2,0,0,0,0,0|0,0,1]=3 231 B4R0.1 CC[C@@H](C)O Z1203162396 [2,0,0,0,0,0|0,0,2]=4 232 B4R0.1 CN(C)N=O Z1255485177 [2,0,0,0,0,0|2,0,0]=4 233 B4R0.1 CNC(=N)C Z2146515751 [2,0,0,0,0,0|2,0,0]=4 234 B4R0.1 CNC(=O)C Z32016274 [2,0,0,0,0,0|1,0,0]=3 235 B4R0.1 CNC(=O)N Z56932989 [2,0,0,0,0,0|2,0,0]=4 236 B4R0.1 COC(=O)N Z104476722 [2,0,0,0,0,0|2,0,0]=4 237 B4R0.1 NCC(=O)O Z955123660 [2,0,0,0,0,0|1,0,1]=4 238 B4R0.1 O=C(O)CBr Z104473018 [2,0,0,0,0,0|1,0,1]=4 239 B4R0.1 O=C(O)CO Z104473274 [2,0,0,0,0,0|1,0,1]=4 240 B6R0.1 CCCC(=O)NO Z59181937 [1,1,0,0,0,0|0,0,2]=4 241 B6R0.1 CCNC(=O)CO Z431952024 [1,1,0,0,0,0|1,0,1]=4 242 B6R0.1 CCOC(=O)CO Z385458066 [1,1,0,0,0,0|1,0,1]=4 243 B6R0.1 CNCC(=O)OC Z89264972 [1,1,0,0,0,0|1,0,1]=4 244 B6R0.2 C/C(=C/C(=O)O)/I Z1508917269 [1,1,0,0,0,0|0,0,0]=2 245 B6R0.2 C=C(C)CC(=O)O Z295890066 [1,1,0,0,0,0|0,0,1]=3 246 B6R0.2 CC(=CC(=O)N)C Z33546934 [1,1,0,0,0,0|1,0,0]=3 247 B6R0.2 CC(=CC(=O)O)C Z104480144 [1,1,0,0,0,0|0,0,0]=2 248 B6R0.2 CC(=O)/C=C(/C)\N Z56858245 [1,1,0,0,0,0|1,0,0]=3 249 B6R0.2 CC(=O)NC(=O)N Z104476284 [1,1,0,0,0,0|2,0,0]=4 250 B6R0.2 CC(C)CC(=O)O Z104474910 [1,1,0,0,0,0|0,0,2]=4 251 B6R0.2 CC(N)CC(=O)O Z147647144 [1,1,0,0,0,0|0,0,2]=4 252 B6R0.2 CN(C)CC(=O)O Z235580496 [1,1,0,0,0,0|1,0,1]=4 253 B6R0.2 C[C@H](N)CC(=O)O Z1741969208 [1,1,0,0,0,0|0,0,2]=4 254 B6R0.2 NC(=O)CC(=O)O Z963467736 [1,1,0,0,0,0|1,0,1]=4 255 B6R0.2 O=C(O)C=C(Br)Br Z1416198234 [1,1,0,0,0,0|1,0,0]=3 256 B6R0.2 O=C(O)C=C(Cl)Cl Z1205493743 [1,1,0,0,0,0|1,0,0]=3 257 B6R0.2 O=C(O)CC(=O)O Z57965450 [1,1,0,0,0,0|1,0,1]=4 258 B6R0.4 C=CCCC(=O)O Z995028722 [1,1,0,0,0,0|0,0,2]=4 259 B6R0.4 CC/C=C/C(=O)O Z2311573931 [1,1,0,0,0,0|0,0,0]=2 260 B6R0.4 CCC#CC(=O)O Z1205493735 [1,1,0,0,0,0|0,0,2]=4 261 B6R0.4 CCCCC(=O)O Z104473312 [1,1,0,0,0,0|0,0,2]=4 262 B6R0.4 CCNCC(=O)O Z744593094 [1,1,0,0,0,0|0,0,2]=4 263 B6R0.4 CCOCC(=O)O Z104495232 [1,1,0,0,0,0|0,0,2]=4 264 B6R0.4 COCCC(=O)O Z285184634 [1,1,0,0,0,0|0,0,2]=4 265 B6R0.4 CS/C=C/C(=O)O Z1868430572 [1,1,0,0,0,0|0,0,0]=2 266 B6R0.4 CSCCC(=O)O Z54719251 [1,1,0,0,0,0|0,0,2]=4 267 B6R0.4 NCCCC(=O)O Z104475620 [1,1,0,0,0,0|0,0,2]=4 268 B6R0.4 O=C(O)/C=C/CO Z3178016098 [1,1,0,0,0,0|0,0,0]=2 269 B6R0.4 O=C(O)C#CCO Z1198169479 [1,1,0,0,0,0|0,0,2]=4 270 B6R0.4 O=C(O)CCCS Z147642510 [1,1,0,0,0,0|0,0,2]=4 271 B6R0.7 CC(=O)C(C)(C)O Z939661728 [1,1,0,0,0,0|1,0,1]=4 272 B6R0.7 CC(C)(Br)C(=O)N Z1255458262 [1,1,0,0,0,0|1,0,1]=4 273 B6R0.7 CC(C)(C)C(=O)N Z56895677 [1,1,0,0,0,0|1,0,1]=4 274 B6R0.7 CC(C)(F)C(=O)O Z1201622349 [1,1,0,0,0,0|0,0,1]=3 275 B6R0.7 CC(C)(N)C(=O)N Z752371206 [1,1,0,0,0,0|1,0,1]=4 276 B6R0.7 CC(C)(N)C(=O)O Z317024776 [1,1,0,0,0,0|0,0,1]=3 277 B6R0.7 CC(Cl)(Cl)C(=O)O Z1205493591 [1,1,0,0,0,0|1,0,1]=4 278 B8R0.2 C=CC(C)C(C)C(=O)O Z1205494257 [0,1,0,0,0,1|0,0,2]=4 279 B8R0.2 CC/C(=C(\C)/C(=O)O)/C Z1642058353 [0,1,0,0,0,1|0,0,1]=3 280 B8R0.2 CCC(C)C(=O)C(=O)O Z1205493610 [0,1,0,0,0,1|0,0,2]=4 281 B8R0.2 CCC(C)C(C)C(=O)O Z792363910 [0,1,0,0,0,1|0,0,2]=4 282 B8R0.2 CCC(C)C(N)C(=O)O Z104473608 [0,1,0,0,0,1|0,0,2]=4 283 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O Z1203578023 [0,1,0,0,0,1|0,0,2]=4 284 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O Z1203578040 [0,1,0,0,0,1|0,0,2]=4 285 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O Z1201618644 [0,1,0,0,0,1|0,0,2]=4 286 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O Z756427442 [0,1,0,0,0,1|0,0,2]=4 287 B8R0.2 COC(C)C(O)C(=O)O Z1509040637 [0,1,0,0,0,1|1,0,1]=4 288 B8R0.2 CSC(C)C(N)C(=O)O Z4511736963 [0,1,0,0,0,1|1,0,1]=4 289 B8R0.2 CSC(C)C(O)C(=O)O Z2787457174 [0,1,0,0,0,1|1,0,1]=4 290 B8R0.2 O=C/C(=C(\Cl)/C(=O)O)/Cl Z147641078 [0,1,0,0,0,1|2,0,0]=4 291 B8R0.5 CC(CCN)CC(=O)O Z1442184827 [0,1,0,0,0,1|0,0,2]=4 292 B8R0.5 CCC/C(=C/C(=O)O)/C Z352746820 [0,1,0,0,0,1|0,0,1]=3 293 B8R0.5 CCCC(C)CC(=O)O Z352782810 [0,1,0,0,0,1|0,0,2]=4 294 B8R0.5 CCCN(C)CC(=O)O Z1259273358 [0,1,0,0,0,1|1,0,1]=4 295 B8R0.5 CCNC(C)CC(=O)O Z1259161935 [0,1,0,0,0,1|0,0,2]=4 296 B8R0.5 COC/C(=C/C(=O)O)/C Z992443856 [0,1,0,0,0,1|0,0,1]=3 297 B8R0.5 COCC(C)CC(=O)O Z992443864 [0,1,0,0,0,1|0,0,2]=4 298 B8R0.16 CCC(=CC(=O)O)CC Z352746706 [0,1,0,0,0,1|0,0,1]=3 299 B8R0.16 CCC(CC)CC(=O)O Z352782266 [0,1,0,0,0,1|0,0,2]=4 300 B8R0.16 CCC(CN)CC(=O)O Z1436181093 [0,1,0,0,0,1|0,0,2]=4 301 B8R0.16 CCN(CC)CC(=O)O Z1250132725 [0,1,0,0,0,1|1,0,1]=4 302 B8R0.16 COC(CN)CC(=O)O Z1827898018 [0,1,0,0,0,1|1,0,1]=4 303 B8R0.19 COC(=O)CC(C)SC Z732206678 [0,1,0,0,0,1|1,0,1]=4 304 B8R0.23 C/C(=C\C(=O)O)/C(=O)O Z104476308 [0,1,0,0,0,1|1,0,0]=3 305 B8R0.23 C=C(CC(=O)O)C(=O)O Z57127539 [0,1,0,0,0,1|1,0,1]=4 306 B8R0.23 CC(=O)N(C)CC(=O)O Z85895184 [0,1,0,0,0,1|1,0,0]=3 307 B8R0.23 CC(C)C(C)CC(=O)O Z234897253 [0,1,0,0,0,1|0,0,2]=4 308 B8R0.23 CC(C)N(C)CC(=O)O Z763366300 [0,1,0,0,0,1|1,0,1]=4 309 B8R0.23 CC(CC(=O)O)C(=O)N Z1203579878 [0,1,0,0,0,1|1,0,1]=4 310 B8R0.23 CC(CC(=O)O)N(C)C Z431539982 [0,1,0,0,0,1|1,0,1]=4 311 B8R0.23 CN(C)C(=O)CC(=O)O Z963467438 [0,1,0,0,0,1|2,0,0]=4 312 B8R0.23 CN(CC(=O)O)C(=N)N Z1203577925 [0,1,0,0,0,1|2,0,0]=4 313 B8R0.23 CN(CC(=O)O)C(=O)N Z126513734 [0,1,0,0,0,1|2,0,0]=4 314 B8R0.23 O=C(O)/C=C(\I)/C(=O)O Z540727104 [0,1,0,0,0,1|2,0,0]=4 315 B8R0.23 O=C(O)CC(=O)C(=O)O Z271128590 [0,1,0,0,0,1|2,0,0]=4 316 B8R0.34 C=CC(C)(C)CC(=O)O Z1198162637 [0,1,0,0,0,1|0,0,2]=4 317 B8R0.34 CCC(C)(C)CC(=O)O Z1198160089 [0,1,0,0,0,1|0,0,2]=4 318 B8R0.34 COC(C)(C)CC(=O)O Z1205494411 [0,1,0,0,0,1|1,0,1]=4 319 B8R0.3 CCOC(=O)C(C)NC Z2255112515 [0,2,0,0,0,0|1,0,1]=4 320 B8R0.3 COC(=O)C(C)CCN Z3025061158 [0,2,0,0,0,0|0,0,2]=4 321 B8R0.3 COC(=O)N(C)CCO Z371625398 [0,2,0,0,0,0|1,0,1]=4 322 B8R0.8 C#CCOC(C)C(=O)O Z362807268 [0,2,0,0,0,0|1,0,1]=4 323 B8R0.8 C/C=C/CC(N)C(=O)O Z3862089673 [0,2,0,0,0,0|1,0,1]=4 324 B8R0.8 C=CCOC(C)C(=O)O Z362807816 [0,2,0,0,0,0|0,0,2]=4 325 B8R0.8 CCCCC(C)C(=O)O Z756390480 [0,2,0,0,0,0|0,0,2]=4 326 B8R0.8 CCOCC(C)C(=O)O Z431541098 [0,2,0,0,0,0|0,0,2]=4 327 B8R0.8 COCCC(C)C(=O)O Z756390554 [0,2,0,0,0,0|0,0,2]=4 328 B8R0.12 CC(C)(CCN)C(=O)O Z1198151185 [0,2,0,0,0,0|0,0,2]=4 329 B8R0.12 CC(N)(CCF)C(=O)O Z2509305784 [0,2,0,0,0,0|0,0,2]=4 330 B8R0.12 CCCC(C)(N)C(=O)O Z317024732 [0,2,0,0,0,0|0,0,2]=4 331 B8R0.12 CCCC(C)(O)C(=O)O Z788000960 [0,2,0,0,0,0|0,0,2]=4 332 B8R0.12 CCNC(C)(C)C(=O)O Z1259161934 [0,2,0,0,0,0|0,0,2]=4 333 B8R0.12 COCC(C)(C)C(=O)O Z1198275672 [0,2,0,0,0,0|0,0,2]=4 334 B8R0.12 COCC(C)(N)C(=O)O Z1346385711 [0,2,0,0,0,0|0,0,2]=4 335 B8R0.12 COCC(C)(O)C(=O)O Z992448466 [0,2,0,0,0,0|0,0,2]=4 336 B8R0.12 CSCC(C)(C)C(=O)O Z1205494330 [0,2,0,0,0,0|0,0,2]=4 337 B8R0.15 CCCC(CC)C(=O)O Z756391368 [0,2,0,0,0,0|0,0,2]=4 338 B8R0.15 CCCC(CN)C(=O)O Z970060188 [0,2,0,0,0,0|0,0,2]=4 339 B8R0.15 CCCC(OC)C(=O)O Z1201627136 [0,2,0,0,0,0|0,0,2]=4 340 B8R0.15 CCNC(CC)C(=O)O Z3271143096 [0,2,0,0,0,0|0,0,2]=4 341 B8R0.15 CCNC(CO)C(=O)O Z4780865118 [0,2,0,0,0,0|0,0,2]=4 342 B8R0.15 CCOC(CC)C(=O)O Z449367060 [0,2,0,0,0,0|0,0,2]=4 343 B8R0.15 CNC(COC)C(=O)O Z1250132318 [0,2,0,0,0,0|0,0,2]=4 344 B8R0.13 CCC(C)(N)C(=O)OC Z992717124 [0,2,0,0,0,0|0,0,2]=4 345 B8R0.20 CCC(CN)C(=O)OC Z2379806941 [0,2,0,0,0,0|0,0,2]=4 346 B8R0.20 CCC(CO)C(=O)OC Z1255448041 [0,2,0,0,0,0|0,0,2]=4 347 B8R0.20 CCC(NC)C(=O)OC Z1770192987 [0,2,0,0,0,0|0,0,2]=4 348 B8R0.20 COC(=O)C(OC)OC Z1013699654 [0,2,0,0,0,0|1,0,1]=4 349 B8R0.36 CCC(C)(C#N)C(=O)O Z1205494421 [0,2,0,0,0,0|0,0,2]=4 350 B8R0.36 CCC(C)(CN)C(=O)O Z2855347040 [0,2,0,0,0,0|0,0,2]=4 351 B8R0.36 CCC(C)(NC)C(=O)O Z4462826616 [0,2,0,0,0,0|0,0,2]=4 352 B8R0.37 CC(C)(C(=O)N)C(=O)O Z1198174895 [0,2,0,0,0,0|1,0,1]=4 353 B8R0.37 CC(C)C(C)(C)C(=O)O Z1198160164 [0,2,0,0,0,0|0,0,2]=4 354 B8R0.37 CC(C)C(C)(O)C(=O)O Z991569008 [0,2,0,0,0,0|0,0,2]=4 355 B8R0.37 CC(N)(C(=O)O)C(=O)O Z4968335428 [0,2,0,0,0,0|1,0,1]=4 356 B8R0.37 CC(O)C(C)(N)C(=O)O Z2768110660 [0,2,0,0,0,0|0,0,2]=4 357 B8R0.37 CC(O)C(C)(O)C(=O)O Z1205494313 [0,2,0,0,0,0|0,0,2]=4 358 B8R0.37 CN(C)C(C)(C)C(=O)O Z1431002715 [0,2,0,0,0,0|1,0,1]=4 359 B8R0.27 CC(C(=O)O)C(C)(C)C Z792377250 [0,2,0,0,0,0|0,0,2]=4 360 B8R0.27 CC(C(=O)O)C(C)(F)F Z2216264420 [0,2,0,0,0,0|0,0,2]=4 361 B8R0.27 CC(C(=O)O)S(=O)(=O)C Z295403352 [0,2,0,0,0,0|1,0,1]=4 362 B8R0.27 CC(C)(C)C(=O)C(=O)O Z1187714783 [0,2,0,0,0,0|1,0,1]=4 363 B8R0.18 CC(C)C(CN)C(=O)O Z1259162105 [0,2,0,0,0,0|0,0,2]=4 364 B8R0.18 CC(C)C(CO)C(=O)O Z1205494781 [0,2,0,0,0,0|0,0,2]=4 365 B8R0.18 CCC(C(=O)C)C(=O)C Z119984130 [0,2,0,0,0,0|1,0,1]=4 366 B8R0.18 CCC(C(=O)O)N(C)C Z1431904010 [0,2,0,0,0,0|0,0,2]=4 367 B8R0.18 CSC(C(=O)O)C(C)C Z732206602 [0,2,0,0,0,0|0,0,2]=4 368 B6R1.2 CC1=CC=CO1 Z104472456 [1,0,0,1,0,0|1,0,1]=4 369 B6R1.2 NC1=CC=NO1 Z415654518 [1,0,0,1,0,0|2,0,0]=4 370 B6R1.2 O=C1C=CCO1 Z1219048777 [1,0,0,1,0,0|0,0,0]=2 371 B6R1.2 O=C1C=CNN1 Z1198154338 [1,0,0,1,0,0|2,0,0]=4 372 B6R1.2 O=C1C=CSN1 Z1741980421 [1,0,0,1,0,0|2,0,0]=4 373 B6R1.2 O=C1NCCO1 Z104474784 [1,0,0,1,0,0|1,0,1]=4 374 B6R1.2 O=C1OCCO1 Z1172235744 [1,0,0,1,0,0|1,0,1]=4 375 B6R1.2 OC1=NOC=C1 Z1255501207 [1,0,0,1,0,0|2,0,0]=4 376 B6R1.2 OC1C=CCC1 Z1255485846 [1,0,0,1,0,0|1,0,1]=4 377 B6R1.6 O=CC1CCC1 Z1079442452 [1,0,0,1,0,0|0,0,2]=4 378 B6R1.7 CC1(CC1)C=O Z1263714317 [1,0,0,1,0,0|0,0,2]=4 379 B8R1.1 COC1=CC(=O)CC1 Z871868704 [0,0,0,1,0,1|2,0,0]=4 380 B8R1.1 COC1=CC(=O)NC1 Z1203730872 [0,0,0,1,0,1|2,0,0]=4 381 B8R1.1 O=C1C=C(CO1)CO Z1486015893 [0,0,0,1,0,1|1,0,1]=4 382 B8R1.4 CC1=CC(=CC=C1)O Z104473820 [0,0,0,1,0,1|1,0,1]=4 383 B8R1.4 CC1=CC(=NN=C1)O Z1198278270 [0,0,0,1,0,1|2,0,0]=4 384 B8R1.4 CC1=CC(=O)CCC1 Z1042078386 [0,0,0,1,0,1|1,0,1]=4 385 B8R1.4 CC1=CC(=O)NC=C1 Z1065655286 [0,0,0,1,0,1|1,0,1]=4 386 B8R1.4 CC1=CC=CC(=O)N1 Z600389900 [0,0,0,1,0,1|1,0,1]=4 387 B8R1.4 CC1=NC(=O)NC=C1 Z1065584884 [0,0,0,1,0,1|1,0,1]=4 388 B8R1.18 CC1=C(NC(=N1)N)C Z2418413556 [0,0,0,1,0,1|2,0,0]=4 389 B8R1.18 CC1=C(NC(=N1)S)C Z1198163261 [0,0,0,1,0,1|1,1,0]=4 390 B8R1.18 CC1=C(NC(=O)N1)C Z147309784 [0,0,0,1,0,1|1,0,0]=3 391 B8R1.18 CC1=C(OC(=N1)N)C Z85932429 [0,0,0,1,0,1|1,0,0]=3 392 B8R1.18 CC1=C(OC(=N1)S)C Z234904536 [0,0,0,1,0,1|0,1,0]=3 393 B8R1.18 CC1=C(SC(=N1)Cl)C Z1037582644 [0,0,0,1,0,1|1,1,0]=4 394 B8R1.18 CC1=C(SC(=N1)N)C Z48847528 [0,0,0,1,0,1|1,1,0]=4 395 B8R1.18 CC1=C(SC(=N1)S)C Z1198148053 [0,0,0,1,0,1|0,2,0]=4 396 B8R1.18 CC1=C(SC(=O)N1)C Z409413538 [0,0,0,1,0,1|0,1,0]=3 397 B8R1.18 CC1=CC(=O)NN1C Z56822474 [0,0,0,1,0,1|2,0,0]=4 398 B8R1.18 CC1=NC(=C(N1)C)C Z2785909774 [0,0,0,1,0,1|2,0,0]=4 399 B8R1.18 CN1OC(=O)C=C1N Z1203586099 [0,0,0,1,0,1|2,0,0]=4 400 B8R1.31 O=C(O)C1=C(CC1)Cl Z3358630818 [0,0,0,1,0,1|1,0,1]=4 401 B8R1.34 O=C(O)C=C1CCC1 Z1205494261 [0,0,0,1,0,1|0,0,1]=3 402 B8R1.34 O=C(O)CC1CCC1 Z1115947835 [0,0,0,1,0,1|0,0,2]=4 403 B8R1.34 O=C(O)CN1CCC1 Z1255373566 [0,0,0,1,0,1|1,0,1]=4 404 B8R1.43 CC[C@@H]1C[C@H]1C(=O)O Z2235790965 [0,0,0,1,0,1|0,0,2]=4 405 B8R1.43 O=C[C@@H]1C[C@H]1C(=O)O Z3664810585 [0,0,0,1,0,1|1,0,1]=4 406 B8R1.43 O=C[C@H]1C[C@H]1C(=O)O Z2944291920 [0,0,0,1,0,1|1,0,1]=4 407 B8R1.67 C[C@@H]1C([C@@H]1C)C(=O)O Z3243444186 [0,0,0,1,0,1|0,0,2]=4 408 B8R1.5 CC1=C(C=CC=C1)O Z104473822 [0,1,0,1,0,0|1,0,1]=4 409 B8R1.5 CC1=C(N=CC=N1)O Z1198157257 [0,1,0,1,0,0|1,0,1]=4 410 B8R1.5 CC1=CC=CNC1=O Z1013766914 [0,1,0,1,0,0|1,0,1]=4 411 B8R1.5 CC1=CC=NNC1=O Z3227035121 [0,1,0,1,0,0|1,0,1]=4 412 B8R1.5 O=C1COC=CC1=S Z1513610972 [0,1,0,1,0,0|1,0,1]=4 413 B8R1.5 O=C1OC=CC=C1O Z1198156687 [0,1,0,1,0,0|1,0,1]=4 414 B8R1.7 O=C(O)C1=CC=CN1 Z94599900 [0,1,0,1,0,0|0,0,2]=4 415 B8R1.7 O=C(O)C1=CC=CO1 Z104473462 [0,1,0,1,0,0|0,0,2]=4 416 B8R1.7 O=C(O)C1=CC=NO1 Z56943419 [0,1,0,1,0,0|1,0,1]=4 417 B8R1.7 O=C(O)C1=CC=NS1 Z1079264356 [0,1,0,1,0,0|1,0,1]=4 418 B8R1.7 O=C(O)C1=CCCC1 Z1205493596 [0,1,0,1,0,0|0,0,0]=2 419 B8R1.7 O=C(O)C1=CCCS1 Z1205451212 [0,1,0,1,0,0|0,0,0]=2 420 B8R1.7 O=C(O)C1=CN=CN1 Z993967082 [0,1,0,1,0,0|1,0,1]=4 421 B8R1.7 O=C(O)C1=CN=CO1 Z204020264 [0,1,0,1,0,0|1,0,1]=4 422 B8R1.7 O=C(O)C1=CN=CS1 Z204146918 [0,1,0,1,0,0|1,0,1]=4 423 B8R1.7 O=C(O)C1=CN=NS1 Z425800944 [0,1,0,1,0,0|2,0,0]=4 424 B8R1.7 O=C(O)C1=CNC=C1 Z1154253207 [0,1,0,1,0,0|0,0,2]=4 425 B8R1.7 O=C(O)C1=CNN=C1 Z275128380 [0,1,0,1,0,0|1,0,1]=4 426 B8R1.7 O=C(O)C1=CNN=N1 Z1814381620 [0,1,0,1,0,0|2,0,0]=4 427 B8R1.7 O=C(O)C1=COC=C1 Z164706016 [0,1,0,1,0,0|0,0,2]=4 428 B8R1.7 O=C(O)C1=COC=N1 Z1095349994 [0,1,0,1,0,0|1,0,1]=4 429 B8R1.7 O=C(O)C1=COCC1 Z1013753090 [0,1,0,1,0,0|0,0,0]=2 430 B8R1.7 O=C(O)C1=CSC=C1 Z147647094 [0,1,0,1,0,0|0,0,2]=4 431 B8R1.7 O=C(O)C1=CSC=N1 Z800222638 [0,1,0,1,0,0|1,0,1]=4 432 B8R1.7 O=C(O)C1=CSN=C1 Z1198181914 [0,1,0,1,0,0|1,0,1]=4 433 B8R1.7 O=C(O)C1=CSN=N1 Z178960862 [0,1,0,1,0,0|2,0,0]=4 434 B8R1.7 O=C(O)C1=NNC=C1 Z381357668 [0,1,0,1,0,0|1,0,1]=4 435 B8R1.7 O=C(O)C1=NOC=C1 Z147642256 [0,1,0,1,0,0|1,0,1]=4 436 B8R1.7 O=C(O)C1=NOCC1 Z1205494291 [0,1,0,1,0,0|1,0,0]=3 437 B8R1.7 O=C(O)C1=NON=C1 Z1201620383 [0,1,0,1,0,0|2,0,0]=4 438 B8R1.7 O=C(O)C1=NSC=C1 Z1198233153 [0,1,0,1,0,0|1,0,1]=4 439 B8R1.7 O=C(O)C1=NSN=C1 Z425800962 [0,1,0,1,0,0|2,0,0]=4 440 B8R1.7 O=C(O)C1C=CCN1 Z2902023058 [0,1,0,1,0,0|0,0,2]=4 441 B8R1.7 O=C(O)C1CC=CC1 Z1205493626 [0,1,0,1,0,0|0,0,2]=4 442 B8R1.7 O=C(O)C1CCCC1 Z104476116 [0,1,0,1,0,0|0,0,2]=4 443 B8R1.7 O=C(O)C1CCCN1 Z104476886 [0,1,0,1,0,0|0,0,2]=4 444 B8R1.7 O=C(O)C1CCCO1 Z104486102 [0,1,0,1,0,0|0,0,2]=4 445 B8R1.7 O=C(O)C1CCCS1 Z1198330300 [0,1,0,1,0,0|0,0,2]=4 446 B8R1.7 O=C(O)C1CCNC1 Z1741969245 [0,1,0,1,0,0|0,0,2]=4 447 B8R1.7 O=C(O)C1CCNO1 Z3182027847 [0,1,0,1,0,0|1,0,1]=4 448 B8R1.7 O=C(O)C1CCOC1 Z381356480 [0,1,0,1,0,0|0,0,2]=4 449 B8R1.7 O=C(O)C1CCSC1 Z1187898499 [0,1,0,1,0,0|0,0,2]=4 450 B8R1.7 O=C(O)C1CSCN1 Z104495996 [0,1,0,1,0,0|1,0,1]=4 451 B8R1.7 O=C(O)C1NCCS1 Z1203162153 [0,1,0,1,0,0|1,0,1]=4 452 B8R1.7 O=C(O)C1OCCO1 Z1198167310 [0,1,0,1,0,0|1,0,1]=4 453 B8R1.7 O=C(O)C1SCCS1 Z1255500889 [0,1,0,1,0,0|1,0,1]=4 454 B8R1.7 O=C(O)[C@@H]1CCCN1 Z756429958 [0,1,0,1,0,0|0,0,2]=4 455 B8R1.7 O=C(O)[C@@H]1CSCN1 Z756440072 [0,1,0,1,0,0|1,0,1]=4 456 B8R1.7 O=C(O)[C@H]1CCCN1 Z933632584 [0,1,0,1,0,0|0,0,2]=4 457 B8R1.7 O=C(O)[C@H]1CSCN1 Z945807988 [0,1,0,1,0,0|1,0,1]=4 458 B8R1.7 OB(O)C1=CCCC1 Z1201621640 [0,1,0,1,0,0|1,0,1]=4 459 B8R1.19 CC1(CCOC1=O)C Z1255431712 [0,1,0,1,0,0|0,0,2]=4 460 B8R1.19 CC1(CCOC1=O)N Z1509069031 [0,1,0,1,0,0|0,0,2]=4 461 B8R1.23 CC1CC(C1)C(=O)O Z1198158393 [0,1,0,1,0,0|0,0,2]=4 462 B8R1.23 CN1CC(C1)C(=O)O Z1198330195 [0,1,0,1,0,0|0,0,2]=4 463 B8R1.23 N[C@H]1C[C@H](C1)C(=O)O Z360056576 [0,1,0,1,0,0|0,0,2]=4 464 B8R1.23 O=C1CC(C1)C(=O)O Z235344247 [0,1,0,1,0,0|1,0,1]=4 465 B8R1.30 C[C@@H]1C[C@]1(N)C(=O)O Z4134701167 [0,1,0,1,0,0|0,0,2]=4 466 B8R1.54 CC(C(=O)O)C1CC1 Z792377292 [0,1,0,1,0,0|0,0,2]=4 467 B8R1.78 CC1(CCC1)C(=O)O Z1205493900 [0,1,0,1,0,0|0,0,2]=4 468 B8R1.78 CC1(CNC1)C(=O)O Z3071128920 [0,1,0,1,0,0|0,0,2]=4 469 B8R1.78 CC1(COC1)C(=O)O Z1198234535 [0,1,0,1,0,0|0,0,2]=4 470 B8R1.78 NC1(CCC1)C(=O)O Z1431905448 [0,1,0,1,0,0|0,0,2]=4 471 B8R1.78 O=C(O)C1(CCC1)Br Z220564362 [0,1,0,1,0,0|0,0,2]=4 472 B8R1.78 O=C(O)C1(CCC1)O Z220564366 [0,1,0,1,0,0|0,0,2]=4 473 B8R1.11 CC1=C(C=CO1)CN Z803145352 [0,1,0,1,0,0|1,0,1]=4 474 B8R1.11 CC1=C(C=CO1)CO Z397587324 [0,1,0,1,0,0|1,0,1]=4 475 B8R1.11 CC1=C(C=NO1)CN Z2895200737 [0,1,0,1,0,0|2,0,0]=4 476 B8R1.11 CC1=C(OC=C1)C=O Z1079442566 [0,1,0,1,0,0|0,0,1]=3 477 B8R1.11 CC1=C(OC=C1)CN Z291234200 [0,1,0,1,0,0|1,0,1]=4 478 B8R1.11 CC1=C(OC=N1)C=O Z1198279990 [0,1,0,1,0,0|1,0,1]=4 479 B8R1.11 CC1=C(ON=C1)C=O Z1198279978 [0,1,0,1,0,0|1,0,0]=3 480 B8R1.11 CC1=C(SC=C1)C=O Z104477012 [0,1,0,1,0,0|0,1,1]=4 481 B8R1.11 CC1=C(SN=C1)C=O Z1198269531 [0,1,0,1,0,0|1,1,0]=4 482 B8R1.11 CC1=CNC=C1C=O Z1203832675 [0,1,0,1,0,0|2,0,0]=4 483 B8R1.11 CC1=CNN=C1C=O Z2418414008 [0,1,0,1,0,0|2,0,0]=4 484 B8R1.11 CC1=CNN=C1CO Z1898597737 [0,1,0,1,0,0|2,0,0]=4 485 B8R1.11 CC1=CON=C1C=O Z1198279956 [0,1,0,1,0,0|2,0,0]=4 486 B8R1.11 CC1=CSC=C1C=O Z1201623037 [0,1,0,1,0,0|2,0,0]=4 487 B8R1.11 CC1=CSN=C1C=O Z1198279979 [0,1,0,1,0,0|2,0,0]=4 488 B8R1.11 COC1=NNC=C1C Z2943419549 [0,1,0,1,0,0|2,0,0]=4 489 B8R1.11 O=CC1=C(C=CO1)Br Z1183458973 [0,1,0,1,0,0|1,0,1]=4 490 B8R1.11 O=CC1=C(C=CO1)F Z1416198484 [0,1,0,1,0,0|1,0,1]=4 491 B8R1.25 O=C1C(=O)C(=C1O)O Z56347217 [0,1,0,1,0,0|2,0,0]=4 492 B8R1.38 COC(=O)C1CCC1 Z18374544 [0,1,0,1,0,0|0,0,2]=4 493 B8R1.39 COC(=O)C1(CO1)C Z1255365078 [0,1,0,1,0,0|1,0,1]=4 494 B8R1.50 CC1=C(C(=N)ON1)Br Z1266854949 [0,1,0,1,0,0|2,0,0]=4 495 B8R1.50 CC1=C(C(=NO1)N)C Z1198162059 [0,1,0,1,0,0|1,0,0]=3 496 B8R1.50 CC1=C(C(=O)CC1)O Z1483987834 [0,1,0,1,0,0|0,0,1]=3 497 B8R1.50 CC1=C(C(=O)NN1)C Z1198151644 [0,1,0,1,0,0|1,0,0]=3 498 B8R1.50 CC1=C(C(=O)NN1)N Z2205958785 [0,1,0,1,0,0|2,0,0]=4 499 B8R1.50 CC1=C(C(=O)OC1)O Z1255374651 [0,1,0,1,0,0|1,0,0]=3 500 B8R1.50 CC1=CNC(=C1C)C Z1162450215 [0,1,0,1,0,0|2,0,0]=4 501 B8R1.50 CC1=NNC(=C1C)C Z50145985 [0,1,0,1,0,0|2,0,0]=4 502 B8R1.50 CC1=NNC(=C1C)N Z385386488 [0,1,0,1,0,0|2,0,0]=4 503 B8R1.50 CC1=NNC(=O)N1C Z1504678222 [0,1,0,1,0,0|2,0,0]=4 504 B8R1.50 CC1=NOC(=C1Br)C Z372796498 [0,1,0,1,0,0|2,0,0]=4 505 B8R1.50 CC1C(=O)CCC1=O Z104503660 [0,1,0,1,0,0|1,0,1]=4 506 B8R1.50 CN1C(=O)CNC1=O Z54599682 [0,1,0,1,0,0|2,0,0]=4 507 B8R1.50 CN1C(=O)COC1=O Z1618025816 [0,1,0,1,0,0|1,0,0]=3 508 B8R1.50 O=C1OCC(=C1Cl)Cl Z1198160971 [0,1,0,1,0,0|1,0,0]=3 509 B8R1.63 CNC1(CC1)C(=O)O Z3022016916 [0,1,0,1,0,0|0,0,2]=4 510 B8R1.63 COC1(CC1)C(=O)O Z1205494389 [0,1,0,1,0,0|0,0,2]=4 511 B8R1.63 NCC1(CC1)C(=O)O Z2234185648 [0,1,0,1,0,0|0,0,2]=4 512 B8R1.63 O=C(O)C1(CC1)CO Z1205494853 [0,1,0,1,0,0|0,0,2]=4 513 B8R1.63 O=CC1(CC1)C(=O)O Z1205496088 [0,1,0,1,0,0|1,0,1]=4 514 B8R1.77 CC1(CC1C(=O)O)C Z979743336 [0,1,0,1,0,0|0,0,2]=4 515 B8R0.9 CCC(=O)CCC(=O)O Z838955680 [0,0,0,0,0,2|1,0,1]=4 516 B8R0.9 CCC(=O)NCC(=O)O Z85886715 [0,0,0,0,0,2|1,0,1]=4 517 B8R0.9 CCC(C)CCC(=O)O Z955111774 [0,0,0,0,0,2|0,0,2]=4 518 B8R0.9 CCC(C)NCC(=O)O Z425484950 [0,0,0,0,0,2|0,0,2]=4 519 B8R0.9 CCC(C)OCC(=O)O Z839103364 [0,0,0,0,0,2|0,0,2]=4 520 B8R0.9 CCN(C)CCC(=O)O Z1259335747 [0,0,0,0,0,2|1,0,1]=4 521 B8R0.9 CNC(=O)CCC(=O)O Z429593572 [0,0,0,0,0,2|2,0,0]=4 522 B8R0.9 CNC(=O)NCC(=O)O Z223126780 [0,0,0,0,0,2|2,0,0]=4 523 B8R0.9 COC(=O)/C=C/C(=O)O Z2315585555 [0,0,0,0,0,2|2,0,0]=4 524 B8R0.9 COC(=O)CCC(=O)O Z57663583 [0,0,0,0,0,2|2,0,0]=4 525 B8R0.9 COC(=O)NCC(=O)O Z111492620 [0,0,0,0,0,2|2,0,0]=4 526 B8R0.9 COC(C)CCC(=O)O Z963595334 [0,0,0,0,0,2|1,0,1]=4 527 B8R0.9 CSC(C)CCC(=O)O Z963595804 [0,0,0,0,0,2|1,0,1]=4