0 B7R0.6 CC(=O)CCC(=O)O Z104477318 [0,0,0,0,0,0|1,0,1]=2 1 B7R0.6 CC(=O)NCC(=O)O Z85886676 [0,0,0,0,0,0|2,0,1]=3 2 B7R0.6 CC(=O)NCC(C)O Z353603952 [0,0,0,0,0,0|3,0,0]=3 3 B7R0.6 CC(C)C#CC(=O)O Z1205493820 [0,0,0,0,0,0|0,0,2]=2 4 B7R0.6 CC(C)CCC(=N)N Z2522503133 [0,0,0,0,0,0|2,0,0]=2 5 B7R0.6 CC(C)CCC(=O)O Z56347204 [0,0,0,0,0,0|0,0,0]=0 6 B7R0.6 CC(C)CNC(=O)N Z56895708 [0,0,0,0,0,0|2,0,0]=2 7 B7R0.6 CC(C)CNC(C)C Z361996484 [0,0,0,0,0,0|3,0,1]=4 8 B7R0.6 CC(C)NCC(=O)N Z56969693 [0,0,0,0,0,0|2,0,0]=2 9 B7R0.6 CC(C)NCC(=O)O Z359419672 [0,0,0,0,0,0|1,0,0]=1 10 B7R0.6 CC(C)NCC(F)F Z1442017493 [0,0,0,0,0,0|3,0,1]=4 11 B7R0.6 CC(C)OCC(=N)N Z1511495251 [0,0,0,0,0,0|3,0,0]=3 12 B7R0.6 CC(C)OCC(=O)O Z316259244 [0,0,0,0,0,0|1,0,0]=1 13 B7R0.6 CC(C)SCC(=O)O Z214812600 [0,0,0,0,0,0|1,0,0]=1 14 B7R0.6 CC(N)CCC(=O)O Z1235963367 [0,0,0,0,0,0|1,0,0]=1 15 B7R0.6 CC(N)CCC(F)F Z2737504348 [0,0,0,0,0,0|3,0,1]=4 16 B7R0.6 CC(N)CCN(C)C Z316119490 [0,0,0,0,0,0|3,0,1]=4 17 B7R0.6 CC(N)CCS(=O)C Z1269750451 [0,0,0,0,0,0|3,0,0]=3 18 B7R0.6 CC(O)CCC(=O)O Z838959470 [0,0,0,0,0,0|1,0,0]=1 19 B7R0.6 CC(O)CNC(C)C Z138692704 [0,0,0,0,0,0|2,0,1]=3 20 B7R0.6 CN(C)CCC(=N)N Z2582511037 [0,0,0,0,0,0|3,0,0]=3 21 B7R0.6 CN(C)CCC(=O)N Z168912842 [0,0,0,0,0,0|2,0,0]=2 22 B7R0.6 CN(C)CCC(=O)O Z168912830 [0,0,0,0,0,0|1,0,0]=1 23 B7R0.6 CN(C)CCC(=S)N Z370706836 [0,0,0,0,0,0|2,1,0]=3 24 B7R0.6 CN(C)CCN(C)C Z56755629 [0,0,0,0,0,0|4,0,0]=4 25 B7R0.6 CS(=O)CCC(=O)O Z667974346 [0,0,0,0,0,0|2,0,0]=2 26 B7R0.6 N=C(N)NCC(=O)O Z586248684 [0,0,0,0,0,0|3,0,1]=4 27 B7R0.6 N=C(N)SCC(=O)O Z2944342055 [0,0,0,0,0,0|3,0,1]=4 28 B7R0.6 NC(=O)NCC(=O)O Z57009586 [0,0,0,0,0,0|3,0,1]=4 29 B7R0.6 O=C(O)CCC(=O)O Z57127453 [0,0,0,0,0,0|2,0,1]=3 30 B7R0.6 O=C(O)CN[N+](=O)[O-] Z1198158238 [0,0,0,0,0,0|4,0,0]=4 31 B6R0.4 C#CCCC(=O)O Z295890062 [1,0,0,0,0,0|0,0,2]=3 32 B6R0.4 C#CCCC(C)O Z854048672 [1,0,0,0,0,0|2,0,1]=4 33 B6R0.4 C#CCNC(C)C Z2855995857 [1,0,0,0,0,0|2,0,1]=4 34 B6R0.4 C=CCCC(=O)C Z406376894 [1,0,0,0,0,0|1,0,2]=4 35 B6R0.4 C=CCCC(=O)O Z995028722 [1,0,0,0,0,0|0,0,2]=3 36 B6R0.4 C=CCCC(C)N Z3681295487 [1,0,0,0,0,0|2,0,0]=3 37 B6R0.4 C=CCNC(C)C Z607822478 [1,0,0,0,0,0|2,0,0]=3 38 B6R0.4 C=COCC(C)C Z916978390 [1,0,0,0,0,0|2,0,0]=3 39 B6R0.4 CC(=O)CCC#N Z1251352415 [1,0,0,0,0,0|2,0,1]=4 40 B6R0.4 CC(=O)NCCCl Z57983106 [1,0,0,0,0,0|3,0,0]=4 41 B6R0.4 CC(=O)OCCN Z1973465551 [1,0,0,0,0,0|3,0,0]=4 42 B6R0.4 CC(C)CCCN Z992716898 [1,0,0,0,0,0|1,0,1]=3 43 B6R0.4 CC(C)CN=C=S Z87001659 [1,0,0,0,0,0|1,1,1]=4 44 B6R0.4 CC(C)NCC#N Z224190250 [1,0,0,0,0,0|2,0,1]=4 45 B6R0.4 CC(C)NCCN Z3375885739 [1,0,0,0,0,0|2,0,1]=4 46 B6R0.4 CC(C)NCCO Z137800940 [1,0,0,0,0,0|1,0,1]=3 47 B6R0.4 CC(C)OCC#N Z295206482 [1,0,0,0,0,0|2,0,1]=4 48 B6R0.4 CC(C)OCCN Z1688198421 [1,0,0,0,0,0|2,0,1]=4 49 B6R0.4 CC(C)OCCO Z104478444 [1,0,0,0,0,0|1,0,1]=3 50 B6R0.4 CC(C)SCCN Z2092369402 [1,0,0,0,0,0|2,0,1]=4 51 B6R0.4 CC(N)CCCN Z2230911100 [1,0,0,0,0,0|2,0,1]=4 52 B6R0.4 CC(N)CCCO Z1203578676 [1,0,0,0,0,0|1,0,1]=3 53 B6R0.4 CC(O)CCCN Z1198178891 [1,0,0,0,0,0|2,0,1]=4 54 B6R0.4 CC/C=C/C(=O)O Z2311573931 [1,0,0,0,0,0|0,0,2]=3 55 B6R0.4 CCC#CC(=O)O Z1205493735 [1,0,0,0,0,0|0,0,2]=3 56 B6R0.4 CCCCB(O)O Z1147227739 [1,0,0,0,0,0|1,0,1]=3 57 B6R0.4 CCCCC(=N)N Z1723418909 [1,0,0,0,0,0|2,0,0]=3 58 B6R0.4 CCCCC(=O)N Z104476278 [1,0,0,0,0,0|1,0,0]=2 59 B6R0.4 CCCCC(=O)O Z104473312 [1,0,0,0,0,0|0,0,0]=1 60 B6R0.4 CCCCC(C)N Z3300506318 [1,0,0,0,0,0|2,0,1]=4 61 B6R0.4 CCCNC(=O)C Z33030314 [1,0,0,0,0,0|2,0,0]=3 62 B6R0.4 CCCNC(=S)N Z56930715 [1,0,0,0,0,0|2,1,0]=4 63 B6R0.4 CCCOC(=O)N Z1198148877 [1,0,0,0,0,0|2,0,0]=3 64 B6R0.4 CCNCC(=O)N Z1459435506 [1,0,0,0,0,0|2,0,0]=3 65 B6R0.4 CCNCC(=O)O Z744593094 [1,0,0,0,0,0|1,0,0]=2 66 B6R0.4 CCNCC(C)C Z380844664 [1,0,0,0,0,0|2,0,1]=4 67 B6R0.4 CCNCC(C)O Z138692768 [1,0,0,0,0,0|2,0,1]=4 68 B6R0.4 CCOCC(=O)O Z104495232 [1,0,0,0,0,0|1,0,0]=2 69 B6R0.4 CN(C)CCC#N Z57980324 [1,0,0,0,0,0|2,0,1]=4 70 B6R0.4 CNCCC(=O)C Z1536943318 [1,0,0,0,0,0|2,0,0]=3 71 B6R0.4 CNCCC(C)C Z607822512 [1,0,0,0,0,0|2,0,0]=3 72 B6R0.4 CNCCC(C)O Z1203731868 [1,0,0,0,0,0|2,0,1]=4 73 B6R0.4 CNCCN(C)C Z138123106 [1,0,0,0,0,0|3,0,0]=4 74 B6R0.4 COCCC(=N)N Z1592042674 [1,0,0,0,0,0|3,0,0]=4 75 B6R0.4 COCCC(=O)C Z362119682 [1,0,0,0,0,0|2,0,0]=3 76 B6R0.4 COCCC(=O)N Z394696458 [1,0,0,0,0,0|2,0,0]=3 77 B6R0.4 COCCC(=O)O Z285184634 [1,0,0,0,0,0|1,0,0]=2 78 B6R0.4 COCCC(C)N Z361881180 [1,0,0,0,0,0|3,0,0]=4 79 B6R0.4 COCCC(C)O Z818738042 [1,0,0,0,0,0|2,0,1]=4 80 B6R0.4 COCCN(C)C Z5121096537 [1,0,0,0,0,0|3,0,0]=4 81 B6R0.4 CS/C=C/C(=O)O Z1868430572 [1,0,0,0,0,0|1,0,2]=4 82 B6R0.4 CSCCC(=N)N Z1266823407 [1,0,0,0,0,0|3,0,0]=4 83 B6R0.4 CSCCC(=O)O Z54719251 [1,0,0,0,0,0|1,0,0]=2 84 B6R0.4 N#CCCC(=O)N Z57160408 [1,0,0,0,0,0|2,0,1]=4 85 B6R0.4 NC(=O)CCCO Z1203578394 [1,0,0,0,0,0|2,0,0]=3 86 B6R0.4 NC(=O)NCCF Z1203582184 [1,0,0,0,0,0|3,0,0]=4 87 B6R0.4 NC(=O)OCCO Z1198158440 [1,0,0,0,0,0|3,0,0]=4 88 B6R0.4 NCCCC(=O)N Z398513418 [1,0,0,0,0,0|2,0,0]=3 89 B6R0.4 NCCCC(=O)O Z104475620 [1,0,0,0,0,0|1,0,0]=2 90 B6R0.4 NCCCS(=O)O Z1203579399 [1,0,0,0,0,0|2,0,0]=3 91 B6R0.4 NCCNC(=O)N Z1268152381 [1,0,0,0,0,0|3,0,0]=4 92 B6R0.4 NCCOC(=O)N Z1587257433 [1,0,0,0,0,0|3,0,0]=4 93 B6R0.4 O=C(O)/C=C/CO Z3178016098 [1,0,0,0,0,0|1,0,2]=4 94 B6R0.4 O=C(O)C#CCO Z1198169479 [1,0,0,0,0,0|1,0,2]=4 95 B6R0.4 O=C(O)CCCS Z147642510 [1,0,0,0,0,0|1,0,0]=2 96 B8R0.9 C=CC(N)CCC(=O)O Z1255431434 [0,1,0,0,0,0|1,0,1]=3 97 B8R0.9 CC(C)CC/C(=N/O)/N Z285132796 [0,1,0,0,0,0|1,0,0]=2 98 B8R0.9 CC(C)CCC(=O)NO Z59183904 [0,1,0,0,0,0|0,0,0]=1 99 B8R0.9 CC(C)CCC(N)CO Z1198179431 [0,1,0,0,0,0|1,0,1]=3 100 B8R0.9 CC(C)CCC(O)CO Z1617994519 [0,1,0,0,0,0|0,0,2]=3 101 B8R0.9 CC(C)CNC(=O)CCl Z56887734 [0,1,0,0,0,0|2,0,0]=3 102 B8R0.9 CC(C)CNC(=O)CN Z1262246246 [0,1,0,0,0,0|2,0,0]=3 103 B8R0.9 CC(C)COC(C)CO Z1896289316 [0,1,0,0,0,0|2,0,1]=4 104 B8R0.9 CC(C)NCC(O)CO Z385465736 [0,1,0,0,0,0|1,0,2]=4 105 B8R0.9 CC(CN)CCC(=O)O Z1739254655 [0,1,0,0,0,0|0,0,0]=1 106 B8R0.9 CC(O)CNC(C)CO Z600449192 [0,1,0,0,0,0|2,0,1]=4 107 B8R0.9 CCC(=O)CCC(=O)O Z838955680 [0,1,0,0,0,0|1,0,1]=3 108 B8R0.9 CCC(=O)NCC(=O)O Z85886715 [0,1,0,0,0,0|2,0,1]=4 109 B8R0.9 CCC(C)CCC(=O)C Z955111260 [0,1,0,0,0,0|1,0,0]=2 110 B8R0.9 CCC(C)CCC(=O)O Z955111774 [0,1,0,0,0,0|0,0,0]=1 111 B8R0.9 CCC(C)NCC(=O)O Z425484950 [0,1,0,0,0,0|1,0,0]=2 112 B8R0.9 CCC(C)OCC(=O)O Z839103364 [0,1,0,0,0,0|1,0,0]=2 113 B8R0.9 CCC(O)CCC(C)C Z838962512 [0,1,0,0,0,0|1,0,1]=3 114 B8R0.9 CCN(C)CCC(=O)O Z1259335747 [0,1,0,0,0,0|1,0,0]=2 115 B8R0.9 CN(C)CCC(=O)NN Z56959747 [0,1,0,0,0,0|2,0,0]=3 116 B8R0.9 CNC(=O)CCC(=O)O Z429593572 [0,1,0,0,0,0|1,0,1]=3 117 B8R0.9 CNC(=O)NCC(=O)O Z223126780 [0,1,0,0,0,0|2,0,1]=4 118 B8R0.9 CNC(C)CCC(C)C Z5023051600 [0,1,0,0,0,0|2,0,1]=4 119 B8R0.9 COC(=O)CCC(=O)O Z57663583 [0,1,0,0,0,0|1,0,1]=3 120 B8R0.9 COC(=O)NCC(=O)O Z111492620 [0,1,0,0,0,0|2,0,1]=4 121 B8R0.9 COC(C)CCC(=O)O Z963595334 [0,1,0,0,0,0|0,0,0]=1 122 B8R0.9 COC(C)CNC(C)C Z991381618 [0,1,0,0,0,0|2,0,1]=4 123 B8R0.9 CSC(C)CCC(=O)O Z963595804 [0,1,0,0,0,0|0,0,0]=1 124 B8R0.9 NCC(=O)CCC(=O)O Z1741972992 [0,1,0,0,0,0|1,0,1]=3 125 B8R0.9 NCC(=O)NCC(=O)O Z56896934 [0,1,0,0,0,0|2,0,1]=4 126 B8R0.9 NCC(N)CCC(=O)O Z1259335825 [0,1,0,0,0,0|1,0,0]=2 127 B8R0.23 C=C(C)CC(N)C(=O)O Z317024962 [0,1,0,0,0,0|0,0,2]=3 128 B8R0.23 C=C(Cl)CC(N)C(=O)O Z2689845474 [0,1,0,0,0,0|1,0,2]=4 129 B8R0.23 CC(=O)CC(=O)C(C)C Z1021460926 [0,1,0,0,0,0|1,0,1]=3 130 B8R0.23 CC(=O)CC(=O)N(C)C Z56948269 [0,1,0,0,0,0|2,0,1]=4 131 B8R0.23 CC(=O)N(C)CC(=O)O Z85895184 [0,1,0,0,0,0|2,0,1]=4 132 B8R0.23 CC(=O)NC(C)C(=O)O Z104483794 [0,1,0,0,0,0|2,0,1]=4 133 B8R0.23 CC(=O)N[C@@H](C)C(=O)O Z98655371 [0,1,0,0,0,0|2,0,1]=4 134 B8R0.23 CC(=O)N[C@H](C)C(=O)O Z829930658 [0,1,0,0,0,0|2,0,1]=4 135 B8R0.23 CC(C)C(C)CC(=O)O Z234897253 [0,1,0,0,0,0|0,0,0]=1 136 B8R0.23 CC(C)C(N)CC(=O)O Z975823290 [0,1,0,0,0,0|0,0,0]=1 137 B8R0.23 CC(C)C(N)CN(C)C Z2313092275 [0,1,0,0,0,0|3,0,0]=4 138 B8R0.23 CC(C)CC(=O)C(=O)O Z975823226 [0,1,0,0,0,0|0,0,1]=2 139 B8R0.23 CC(C)CC(C)C(=O)O Z756390494 [0,1,0,0,0,0|0,0,0]=1 140 B8R0.23 CC(C)CC(N)C(=O)O Z57127546 [0,1,0,0,0,0|0,0,0]=1 141 B8R0.23 CC(C)CN(C)C(=N)N Z2526714360 [0,1,0,0,0,0|3,0,0]=4 142 B8R0.23 CC(C)C[C@@H](N)C(=O)O Z850973972 [0,1,0,0,0,0|0,0,0]=1 143 B8R0.23 CC(C)C[C@H](N)C(=O)O Z756437526 [0,1,0,0,0,0|0,0,0]=1 144 B8R0.23 CC(C)N(C)CC(=O)O Z763366300 [0,1,0,0,0,0|1,0,0]=2 145 B8R0.23 CC(C)NC(C)C(=O)O Z449368966 [0,1,0,0,0,0|1,0,0]=2 146 B8R0.23 CC(C)SC(C)C(=O)O Z214845364 [0,1,0,0,0,0|1,0,0]=2 147 B8R0.23 CC(CC(=O)N)C(=O)O Z1203581899 [0,1,0,0,0,0|2,0,1]=4 148 B8R0.23 CC(CC(=O)O)C(=O)N Z1203579878 [0,1,0,0,0,0|2,0,1]=4 149 B8R0.23 CC(CC(=O)O)N(C)C Z431539982 [0,1,0,0,0,0|1,0,0]=2 150 B8R0.23 CC(CC(F)F)C(=O)O Z1198342616 [0,1,0,0,0,0|2,0,0]=3 151 B8R0.23 CC(CN(C)C)C(=O)O Z2106602539 [0,1,0,0,0,0|1,0,0]=2 152 B8R0.23 CC(CS(=O)C)C(=O)O Z802572188 [0,1,0,0,0,0|2,0,0]=3 153 B8R0.23 CC(N)CC(C)C(=O)O Z5272192378 [0,1,0,0,0,0|1,0,0]=2 154 B8R0.23 CC(O)C(C)NC(=O)N Z1203589561 [0,1,0,0,0,0|3,0,0]=4 155 B8R0.23 CN(C)C(=O)CC(=O)O Z963467438 [0,1,0,0,0,0|1,0,1]=3 156 B8R0.23 CN(C)CC(O)C(=O)O Z1205494800 [0,1,0,0,0,0|1,0,0]=2 157 B8R0.23 NC(=O)CC(N)C(=O)O Z104481196 [0,1,0,0,0,0|2,0,1]=4 158 B8R0.23 NC(=O)C[C@@H](N)C(=O)O Z1147451758 [0,1,0,0,0,0|2,0,1]=4 159 B8R0.23 NC(=O)C[C@H](N)C(=O)O Z1066276474 [0,1,0,0,0,0|2,0,1]=4 160 B8R0.23 NC(=O)[C@@H](N)CC(=O)O Z1198149443 [0,1,0,0,0,0|2,0,1]=4 161 B8R0.23 NC(CC(=O)O)C(=O)O Z104474760 [0,1,0,0,0,0|2,0,1]=4 162 B8R0.23 NC(CC(F)F)C(=O)O Z1250080925 [0,1,0,0,0,0|2,0,0]=3 163 B8R0.23 N[C@@H](CC(=O)O)C(=O)O Z995084132 [0,1,0,0,0,0|2,0,1]=4 164 B8R0.23 N[C@H](CC(=O)O)C(=O)O Z1079451886 [0,1,0,0,0,0|2,0,1]=4 165 B8R0.23 O=C(O)CC(O)C(=O)O Z104473230 [0,1,0,0,0,0|2,0,1]=4 166 B8R0.23 O=C(O)CC(S)C(=O)O Z104478826 [0,1,0,0,0,0|2,0,1]=4 167 B8R0.23 O=C(O)C[C@@H](O)C(=O)O Z1205493568 [0,1,0,0,0,0|2,0,1]=4 168 B8R0.23 O=C(O)C[C@H](O)C(=O)O Z1201618618 [0,1,0,0,0,0|2,0,1]=4 169 B8R0.29 CC(=O)CCC(C)(C)C Z992965824 [0,1,0,0,0,0|1,0,0]=2 170 B8R0.29 CC(=O)CCC(F)(F)F Z1235985192 [0,1,0,0,0,0|3,0,0]=4 171 B8R0.29 CC(=O)CCS(=O)(=O)C Z992965806 [0,1,0,0,0,0|3,0,0]=4 172 B8R0.29 CC(C)(C)C#CC(=O)O Z1205493807 [0,1,0,0,0,0|0,0,2]=3 173 B8R0.29 CC(C)(C)CCC(=N)N Z3481620976 [0,1,0,0,0,0|2,0,0]=3 174 B8R0.29 CC(C)(C)CCC(=O)O Z819990896 [0,1,0,0,0,0|0,0,0]=1 175 B8R0.29 CC(C)(C)CNC(=O)N Z763367008 [0,1,0,0,0,0|2,0,0]=3 176 B8R0.29 CC(C)(C)NCC(=O)N Z104690680 [0,1,0,0,0,0|2,0,0]=3 177 B8R0.29 CC(C)(C)OCC(=N)N Z1718361941 [0,1,0,0,0,0|3,0,0]=4 178 B8R0.29 CC(C)(C)OCC(=O)O Z362795372 [0,1,0,0,0,0|1,0,0]=2 179 B8R0.29 CC(C)(C)SCC(=O)O Z66636002 [0,1,0,0,0,0|1,0,0]=2 180 B8R0.29 CC(C)(N)C#CC(=O)O Z4371204029 [0,1,0,0,0,0|0,0,2]=3 181 B8R0.29 CC(C)(N)CCC(=O)O Z1259041013 [0,1,0,0,0,0|0,0,0]=1 182 B8R0.29 CC(C)(N)CNC(=O)N Z1198235624 [0,1,0,0,0,0|2,0,0]=3 183 B8R0.29 CC(C)(O)C#CC(=O)O Z1198166162 [0,1,0,0,0,0|0,0,2]=3 184 B8R0.29 CC(C)(O)CCC(=O)[O-] Z1718361752 [0,1,0,0,0,0|0,0,1]=2 185 B8R0.29 CC(C)CCS(=O)(=O)N Z734461454 [0,1,0,0,0,0|1,0,1]=3 186 B8R0.29 CC(C)NCC(C)(C)O Z600453554 [0,1,0,0,0,0|2,0,1]=4 187 B8R0.29 CC(F)(F)CCC(=O)O Z316121454 [0,1,0,0,0,0|1,0,0]=2 188 B8R0.29 CC(N)CCS(=O)(=O)C Z992990700 [0,1,0,0,0,0|2,0,1]=4 189 B8R0.29 CN(C)CCC(C)(C)N Z3178894903 [0,1,0,0,0,0|3,0,0]=4 190 B8R0.29 CS(=O)(=O)CCC(=O)O Z295403530 [0,1,0,0,0,0|2,0,0]=3 191 B8R0.29 NC(=O)CCC(F)(F)F Z1203585658 [0,1,0,0,0,0|3,0,0]=4 192 B8R0.29 NS(=O)(=O)CCC(=O)O Z327222556 [0,1,0,0,0,0|3,0,0]=4 193 B8R0.29 O=C(O)CCS(=O)(=O)[O-] Z2301438443 [0,1,0,0,0,0|3,0,0]=4 194 B8R0.29 O=C(O)CSC(F)(F)F Z57932525 [0,1,0,0,0,0|3,0,0]=4 195 B8R1.3 CC1=CCC(CC1)N Z3857655203 [0,0,0,1,0,0|3,0,0]=4 196 B8R1.3 CC1=NNC(=O)CC1 Z49527484 [0,0,0,1,0,0|2,0,1]=4 197 B8R1.3 CC1CCC(=O)CC1 Z57073963 [0,0,0,1,0,0|1,0,0]=2 198 B8R1.3 CC1CCC(=O)NC1 Z969194082 [0,0,0,1,0,0|1,0,0]=2 199 B8R1.3 CC1CCC(CC1)O Z104476106 [0,0,0,1,0,0|1,0,1]=3 200 B8R1.3 CC1CCC(CN1)O Z2350906968 [0,0,0,1,0,0|2,0,1]=4 201 B8R1.3 CC1CCC(CO1)O Z1898581838 [0,0,0,1,0,0|2,0,1]=4 202 B8R1.3 CC1CN=C(NC1)N Z1203586632 [0,0,0,1,0,0|3,0,0]=4 203 B8R1.3 CC1COC(CN1)C Z327218388 [0,0,0,1,0,0|2,0,1]=4 204 B8R1.3 CN1CC=C(CC1)Br Z4896525382 [0,0,0,1,0,0|3,0,0]=4 205 B8R1.3 C[C@@H]1CC[C@@H](CN1)O Z2309899176 [0,0,0,1,0,0|2,0,1]=4 206 B8R1.3 C[C@@H]1CC[C@H](CN1)O Z2327179252 [0,0,0,1,0,0|2,0,1]=4 207 B8R1.3 C[C@H]1CC[C@@H](CC1)N Z1150306734 [0,0,0,1,0,0|2,0,1]=4 208 B8R1.3 NC1CCC(=O)CC1 Z1198169628 [0,0,0,1,0,0|2,0,0]=3 209 B8R1.3 NC1CCC(=O)NC1 Z992717028 [0,0,0,1,0,0|2,0,0]=3 210 B8R1.3 NC1CNC(=O)NC1 Z4926262838 [0,0,0,1,0,0|3,0,0]=4 211 B8R1.3 O=C1CCC(=O)CC1 Z877626718 [0,0,0,1,0,0|2,0,1]=4 212 B8R1.3 O=C1CCC(=O)NC1 Z1198221828 [0,0,0,1,0,0|2,0,1]=4 213 B8R1.3 O=C1CCS(=O)CC1 Z826531086 [0,0,0,1,0,0|3,0,0]=4 214 B8R1.3 O=C1COC(=O)CO1 Z1201618919 [0,0,0,1,0,0|2,0,1]=4 215 B8R1.3 O=C1NCC(CN1)O Z1198163621 [0,0,0,1,0,0|3,0,0]=4 216 B8R1.3 OC1CCC(CC1)O Z1178486717 [0,0,0,1,0,0|2,0,1]=4 217 B8R1.20 CC(C)C[C@@H]1C[C@H]1N Z2286708089 [0,0,0,1,0,0|2,0,1]=4 218 B8R1.23 CC(=O)N1CC(C1)N Z1154674340 [0,0,0,1,0,0|3,0,0]=4 219 B8R1.23 CC(C)C1CC(=O)N1 Z1198168175 [0,0,0,1,0,0|1,0,0]=2 220 B8R1.23 CC(C)C1CC(C1)N Z3590414574 [0,0,0,1,0,0|2,0,1]=4 221 B8R1.23 CC1CC(C1)C(=O)O Z1198158393 [0,0,0,1,0,0|0,0,0]=1 222 B8R1.23 CN1CC(C1)C(=O)O Z1198330195 [0,0,0,1,0,0|1,0,0]=2 223 B8R1.23 NC(=O)C1CC(=O)C1 Z1486002682 [0,0,0,1,0,0|2,0,1]=4 224 B8R1.23 NC(=O)N1CC(C1)N Z3297611731 [0,0,0,1,0,0|3,0,0]=4 225 B8R1.23 NC(=O)N1CC(C1)O Z1090111906 [0,0,0,1,0,0|3,0,0]=4 226 B8R1.23 N[C@H]1C[C@H](C1)C(=O)O Z360056576 [0,0,0,1,0,0|1,0,0]=2 227 B8R1.23 O=C([O-])[C@H]1C[C@@H](C1)O Z4399321929 [0,0,0,1,0,0|1,0,1]=3 228 B8R1.23 O=C1CC(C1)C(=O)O Z235344247 [0,0,0,1,0,0|1,0,1]=3 229 B8R1.35 CC(=O)CCC1CC1 Z1233207768 [0,0,0,1,0,0|1,0,0]=2 230 B8R1.35 CC(C)CCC1CO1 Z1495386123 [0,0,0,1,0,0|1,0,1]=3 231 B8R1.35 CC(C)OCC1CO1 Z147642824 [0,0,0,1,0,0|2,0,1]=4 232 B8R1.35 CC(C)OC[C@@H]1CO1 Z1993604786 [0,0,0,1,0,0|2,0,1]=4 233 B8R1.35 CC(C)OC[C@H]1CO1 Z1993604787 [0,0,0,1,0,0|2,0,1]=4 234 B8R1.35 NC(=O)CNC1CC1 Z104875198 [0,0,0,1,0,0|2,0,0]=3 235 B8R1.35 NC(=O)NCC1CC1 Z247615948 [0,0,0,1,0,0|2,0,0]=3 236 B8R1.35 O=C(O)C#CC1CC1 Z1198161308 [0,0,0,1,0,0|0,0,2]=3 237 B8R1.35 O=C(O)CNC1CC1 Z432066928 [0,0,0,1,0,0|1,0,0]=2 238 B8R1.35 O=[N+]([O-])CCC1CC1 Z2732442774 [0,0,0,1,0,0|1,0,1]=3 239 B8R1.51 CC1(CCC(=O)N1)C Z1198150849 [0,0,0,1,0,0|1,0,0]=2 240 B8R1.51 CC1(CCC(=O)O1)C Z854234982 [0,0,0,1,0,0|0,0,0]=1 241 B8R1.51 CC1(CN=C(N1)N)C Z1262644333 [0,0,0,1,0,0|3,0,0]=4 242 B8R1.51 CC1(CNC(=O)O1)C Z1203730984 [0,0,0,1,0,0|1,0,0]=2 243 B8R1.51 CC1(COC(=N1)N)C Z1198155525 [0,0,0,1,0,0|3,0,0]=4 244 B8R1.51 CC1CCC(C1)(C)N Z4358474993 [0,0,0,1,0,0|2,0,1]=4 245 B8R1.51 CC1CCC(N1)(C)C Z2238934548 [0,0,0,1,0,0|2,0,1]=4 246 B8R1.51 CC1CNS(=O)(=O)C1 Z1575095016 [0,0,0,1,0,0|2,0,1]=4 247 B8R1.51 NC1CCS(=O)(=O)C1 Z56998603 [0,0,0,1,0,0|2,0,1]=4 248 B8R1.51 O=S1(=O)CCC(C1)O Z57161902 [0,0,0,1,0,0|2,0,1]=4 249 B8R1.77 CC1(CC1C(=N)N)C Z1203638454 [0,0,0,1,0,0|2,0,0]=3 250 B8R1.77 CC1(CC1C(=O)O)C Z979743336 [0,0,0,1,0,0|0,0,0]=1 251 B8R1.77 NC(=O)C1CC1(F)F Z1203638703 [0,0,0,1,0,0|3,0,0]=4 252 B8R1.77 O=C(O)C1CC1(Br)Br Z600508418 [0,0,0,1,0,0|2,0,0]=3 253 B8R1.77 O=C(O)C1CC1(Cl)Cl Z56983732 [0,0,0,1,0,0|2,0,0]=3 254 B6R0.2 C/C(=C/C(=O)O)/I Z1508917269 [0,0,0,0,1,0|1,0,2]=4 255 B6R0.2 C=C(C)CC(=O)O Z295890066 [0,0,0,0,1,0|0,0,2]=3 256 B6R0.2 CC(=CC(=O)N)C Z33546934 [0,0,0,0,1,0|1,0,2]=4 257 B6R0.2 CC(=CC(=O)O)C Z104480144 [0,0,0,0,1,0|0,0,2]=3 258 B6R0.2 CC(=O)CC(C)N Z57329385 [0,0,0,0,1,0|2,0,0]=3 259 B6R0.2 CC(C)CB(O)O Z1098324138 [0,0,0,0,1,0|1,0,1]=3 260 B6R0.2 CC(C)CC(=N)N Z1346385639 [0,0,0,0,1,0|2,0,0]=3 261 B6R0.2 CC(C)CC(=O)N Z33546511 [0,0,0,0,1,0|1,0,0]=2 262 B6R0.2 CC(C)CC(=O)O Z104474910 [0,0,0,0,1,0|0,0,0]=1 263 B6R0.2 CC(C)NC(=N)N Z1650168329 [0,0,0,0,1,0|3,0,0]=4 264 B6R0.2 CC(C)NC(=O)N Z56887677 [0,0,0,0,1,0|2,0,0]=3 265 B6R0.2 CC(C)NC(=S)N Z56979374 [0,0,0,0,1,0|2,1,0]=4 266 B6R0.2 CC(N)CC(=O)N Z594220690 [0,0,0,0,1,0|2,0,0]=3 267 B6R0.2 CC(N)CC(=O)O Z147647144 [0,0,0,0,1,0|1,0,0]=2 268 B6R0.2 CC(N)CS(=O)C Z1238793449 [0,0,0,0,1,0|3,0,0]=4 269 B6R0.2 CN(C)CC(=O)N Z54750057 [0,0,0,0,1,0|2,0,0]=3 270 B6R0.2 CN(C)CC(=O)O Z235580496 [0,0,0,0,1,0|1,0,0]=2 271 B6R0.2 CS(=O)CC(=O)N Z1203581973 [0,0,0,0,1,0|3,0,0]=4 272 B6R0.2 C[C@H](N)CC(=O)O Z1741969208 [0,0,0,0,1,0|1,0,0]=2 273 B6R0.2 NC(=O)CC(=O)O Z963467736 [0,0,0,0,1,0|2,0,1]=4 274 B6R0.2 O=C(O)CC(=O)O Z57965450 [0,0,0,0,1,0|2,0,1]=4 275 B8R0.28 CC(=CCCC(=O)O)C Z1198162635 [0,0,0,0,0,1|0,0,1]=2 276 B8R0.28 CC(=O)CCCC(=O)O Z147652222 [0,0,0,0,0,1|1,0,1]=3 277 B8R0.28 CC(=O)CSCC(=O)[O-] Z1359429555 [0,0,0,0,0,1|1,0,2]=4 278 B8R0.28 CC(=O)NCCC(=O)O Z56886421 [0,0,0,0,0,1|1,0,1]=3 279 B8R0.28 CC(=O)OCCC(=O)O Z216124300 [0,0,0,0,0,1|1,0,1]=3 280 B8R0.28 CC(C)CCCC(=O)O Z426022098 [0,0,0,0,0,1|0,0,0]=1 281 B8R0.28 CC(C)CCNC(=N)N Z1089993920 [0,0,0,0,0,1|2,0,0]=3 282 B8R0.28 CC(C)CCNC(=O)N Z56904577 [0,0,0,0,0,1|1,0,0]=2 283 B8R0.28 CC(C)CCNC(=S)N Z56930716 [0,0,0,0,0,1|1,1,0]=3 284 B8R0.28 CC(C)CNCC(=O)N Z234894923 [0,0,0,0,0,1|1,0,0]=2 285 B8R0.28 CC(C)CNCC(=O)O Z1259273209 [0,0,0,0,0,1|0,0,0]=1 286 B8R0.28 CC(C)CNCC(C)C Z90514122 [0,0,0,0,0,1|2,0,1]=4 287 B8R0.28 CC(C)COCC(C)N Z1262398413 [0,0,0,0,0,1|2,0,1]=4 288 B8R0.28 CC(C)CSCC(=O)O Z96112845 [0,0,0,0,0,1|0,0,0]=1 289 B8R0.28 CC(C)NCCC(=O)O Z235348215 [0,0,0,0,0,1|0,0,0]=1 290 B8R0.28 CC(C)NCCN(C)C Z137545666 [0,0,0,0,0,1|3,0,0]=4 291 B8R0.28 CC(C)OCCC(=O)O Z316259248 [0,0,0,0,0,1|0,0,0]=1 292 B8R0.28 CC(N)CCCC(=O)O Z1551469174 [0,0,0,0,0,1|1,0,0]=2 293 B8R0.28 CC(N)COCC(=O)O Z3789755599 [0,0,0,0,0,1|1,0,0]=2 294 B8R0.28 CC(O)CCCC(=O)[O-] Z1762997411 [0,0,0,0,0,1|1,0,1]=3 295 B8R0.28 CC(O)CCCN(C)C Z902046982 [0,0,0,0,0,1|2,0,1]=4 296 B8R0.28 CC(O)CNCC(=O)[O-] Z3690977946 [0,0,0,0,0,1|1,0,1]=3 297 B8R0.28 N=C(N)NCCC(=O)O Z959165114 [0,0,0,0,0,1|2,0,1]=4 298 B8R0.28 NC(=O)CCCC(=O)O Z336080698 [0,0,0,0,0,1|2,0,1]=4 299 B8R0.28 NC(=O)CNCC(=O)O Z4658099947 [0,0,0,0,0,1|2,0,1]=4 300 B8R0.28 NC(=O)CSCC(=O)O Z19691778 [0,0,0,0,0,1|2,0,1]=4 301 B8R0.28 NC(=O)NCCC(=O)O Z56347556 [0,0,0,0,0,1|2,0,1]=4 302 B8R0.28 O=C(O)CCCC(=O)O Z57127454 [0,0,0,0,0,1|2,0,1]=4 303 B8R0.28 O=C(O)CNCC(=O)O Z104476528 [0,0,0,0,0,1|2,0,1]=4 304 B8R0.28 O=C(O)COCC(=O)O Z57965384 [0,0,0,0,0,1|2,0,1]=4 305 B8R0.28 O=C(O)CSCC(=O)O Z104478584 [0,0,0,0,0,1|2,0,1]=4 306 B5R0.1 C#CCC(=O)O Z295890060 [2,0,0,0,0,0|0,0,2]=4 307 B5R0.1 C/C=C/C(=O)O Z104476026 [2,0,0,0,0,0|0,0,2]=4 308 B5R0.1 C=CCC(C)N Z1269638561 [2,0,0,0,0,0|1,0,1]=4 309 B5R0.1 CC(=O)CCO Z906206900 [2,0,0,0,0,0|1,0,1]=4 310 B5R0.1 CC(C)CC#N Z104473272 [2,0,0,0,0,0|1,0,1]=4 311 B5R0.1 CC(C)CCO Z104473558 [2,0,0,0,0,0|0,0,0]=2 312 B5R0.1 CC(C)NC=O Z1201617634 [2,0,0,0,0,0|1,0,0]=3 313 B5R0.1 CC(N)CCO Z385458430 [2,0,0,0,0,0|1,0,0]=3 314 B5R0.1 CC(O)CCN Z802904114 [2,0,0,0,0,0|2,0,0]=4 315 B5R0.1 CC(O)CCO Z104473530 [2,0,0,0,0,0|1,0,0]=3 316 B5R0.1 CCCC(=N)N Z1198394172 [2,0,0,0,0,0|2,0,0]=4 317 B5R0.1 CCCC(=O)N Z33546461 [2,0,0,0,0,0|1,0,0]=3 318 B5R0.1 CCCC(=O)O Z104495380 [2,0,0,0,0,0|0,0,0]=2 319 B5R0.1 CCCC(C)N Z2417819590 [2,0,0,0,0,0|1,0,1]=4 320 B5R0.1 CCOC(=O)N Z33546369 [2,0,0,0,0,0|2,0,0]=4 321 B5R0.1 CN(C)CCF Z5487577684 [2,0,0,0,0,0|2,0,0]=4 322 B5R0.1 CN(C)CCO Z104473552 [2,0,0,0,0,0|1,0,0]=3 323 B5R0.1 CN(C)CCS Z362025514 [2,0,0,0,0,0|1,1,0]=4 324 B5R0.1 CNCC(=O)N Z415678308 [2,0,0,0,0,0|2,0,0]=4 325 B5R0.1 CNCC(=O)O Z104480276 [2,0,0,0,0,0|1,0,0]=3 326 B5R0.1 CNCC(C)C Z951367674 [2,0,0,0,0,0|1,0,1]=4 327 B5R0.1 COCC(=O)N Z33546778 [2,0,0,0,0,0|2,0,0]=4 328 B5R0.1 COCC(=O)O Z104477404 [2,0,0,0,0,0|1,0,0]=3 329 B5R0.1 CSCC(=O)N Z33545668 [2,0,0,0,0,0|2,0,0]=4 330 B5R0.1 C[C@@H](N)CCO Z1526453858 [2,0,0,0,0,0|1,0,0]=3 331 B5R0.1 C[C@@H](O)CCN Z1860991703 [2,0,0,0,0,0|2,0,0]=4 332 B5R0.1 N#CCC(=O)O Z104476112 [2,0,0,0,0,0|1,0,1]=4 333 B5R0.1 NC(=O)CCO Z431951940 [2,0,0,0,0,0|2,0,0]=4 334 B5R0.1 NCCC(=O)N Z415728050 [2,0,0,0,0,0|2,0,0]=4 335 B5R0.1 NCCC(=O)O Z57127544 [2,0,0,0,0,0|1,0,0]=3 336 B5R0.1 NOCC(=O)O Z90662171 [2,0,0,0,0,0|2,0,0]=4 337 B5R0.1 O=C(O)CCCl Z203045320 [2,0,0,0,0,0|1,0,0]=3 338 B5R0.1 O=C(O)CCS Z104474322 [2,0,0,0,0,0|1,0,0]=3 339 B5R0.1 O=C(O)CNO Z1205493750 [2,0,0,0,0,0|2,0,0]=4 340 B5R0.2 C=CCCCN Z993058434 [2,0,0,0,0,0|2,0,0]=4 341 B5R0.2 C=CCNCC Z2044769224 [2,0,0,0,0,0|2,0,0]=4 342 B5R0.2 CCCCC=O Z104472992 [2,0,0,0,0,0|0,0,0]=2 343 B5R0.2 CCCCCN Z104472246 [2,0,0,0,0,0|1,0,1]=4 344 B5R0.2 CCNCCO Z1258992395 [2,0,0,0,0,0|1,0,1]=4 345 B5R0.2 CCOCCO Z104473122 [2,0,0,0,0,0|1,0,1]=4 346 B5R0.2 CNCCCO Z104756980 [2,0,0,0,0,0|1,0,1]=4 347 B5R0.2 COCCCO Z431517702 [2,0,0,0,0,0|1,0,1]=4 348 B7R0.2 CC(C)CC(C)C#N Z415654744 [1,1,0,0,0,0|1,0,1]=4 349 B7R0.2 CC(C)CC(C)CO Z1198147790 [1,1,0,0,0,0|0,0,1]=3 350 B7R0.2 CC(C)CC(N)C#N Z449369050 [1,1,0,0,0,0|1,0,1]=4 351 B7R0.2 CC(C)CC(N)CN Z425861052 [1,1,0,0,0,0|1,0,1]=4 352 B7R0.2 CC(C)CC(N)CO Z734151210 [1,1,0,0,0,0|0,0,1]=3 353 B7R0.2 CC(C)CC(O)CN Z1259162114 [1,1,0,0,0,0|1,0,1]=4 354 B7R0.2 CC(CN)CC(=O)O Z1436472873 [1,1,0,0,0,0|1,0,0]=3 355 B7R0.2 CC/C(=C/C(=O)O)/C Z2583321519 [1,1,0,0,0,0|0,0,2]=4 356 B7R0.2 CCC(=O)CC(=O)C Z1013699870 [1,1,0,0,0,0|1,0,1]=4 357 B7R0.2 CCC(C)CC(=O)O Z352782882 [1,1,0,0,0,0|0,0,0]=2 358 B7R0.2 CCC(C)NC(=O)N Z56979270 [1,1,0,0,0,0|2,0,0]=4 359 B7R0.2 CCC(N)CC(=O)O Z1708090940 [1,1,0,0,0,0|0,0,0]=2 360 B7R0.2 CCN(C)CC(=O)O Z1459897022 [1,1,0,0,0,0|1,0,0]=3 361 B7R0.2 CN(C)CC(N)CO Z2092369044 [1,1,0,0,0,0|1,0,1]=4 362 B7R0.2 CNC(=O)CC(=O)O Z963467722 [1,1,0,0,0,0|1,0,1]=4 363 B7R0.2 CNC(C)CC(=O)N Z3070230004 [1,1,0,0,0,0|2,0,0]=4 364 B7R0.2 COC(C)CC(=O)O Z431536426 [1,1,0,0,0,0|1,0,0]=3 365 B7R0.2 NCC(O)CC(=O)O Z1255390571 [1,1,0,0,0,0|1,0,0]=3 366 B7R0.2 NC[C@@H](O)CC(=O)O Z1203578293 [1,1,0,0,0,0|1,0,0]=3 367 B7R0.2 NC[C@H](O)CC(=O)O Z1198160294 [1,1,0,0,0,0|1,0,0]=3 368 B7R0.3 CC(CN)CCCO Z2234185702 [1,1,0,0,0,0|0,0,1]=3 369 B7R0.3 CCC(C)NCCO Z335251014 [1,1,0,0,0,0|1,0,1]=4 370 B7R0.3 CCCCC(=O)CC Z406378226 [1,1,0,0,0,0|1,0,0]=3 371 B7R0.3 CCCCC(C)NC Z446022384 [1,1,0,0,0,0|1,0,1]=4 372 B7R0.3 CCCCN(C)N=O Z1198149449 [1,1,0,0,0,0|2,0,0]=4 373 B7R0.3 CCCNC(=O)CC Z33030426 [1,1,0,0,0,0|2,0,0]=4 374 B7R0.3 CCNCC(=O)NC Z55849445 [1,1,0,0,0,0|2,0,0]=4 375 B7R0.3 CCNCC(=O)OC Z138464962 [1,1,0,0,0,0|1,0,0]=3 376 B7R0.3 CNC(=O)CCCN Z451350656 [1,1,0,0,0,0|2,0,0]=4 377 B7R0.3 CNCCC(=O)NC Z852427258 [1,1,0,0,0,0|2,0,0]=4 378 B7R0.3 CNCCC(=O)OC Z140562916 [1,1,0,0,0,0|1,0,0]=3 379 B7R0.3 COC(=O)CCC#N Z1179894109 [1,1,0,0,0,0|1,0,1]=4 380 B7R0.3 COC(=O)NCCN Z2237317343 [1,1,0,0,0,0|2,0,0]=4 381 B7R0.3 COCCC(C)CN Z879061310 [1,1,0,0,0,0|2,0,0]=4 382 B7R0.3 NCCCC(=O)NO Z3488307998 [1,1,0,0,0,0|1,0,0]=3 383 B7R0.3 O=C(CO)NCCO Z1203732626 [1,1,0,0,0,0|2,0,0]=4 384 B7R0.4 C#CCNCC(=O)O Z2513337624 [1,1,0,0,0,0|0,0,2]=4 385 B7R0.4 C#CCOCC(=O)O Z362807246 [1,1,0,0,0,0|0,0,2]=4 386 B7R0.4 C#CCSCC(=O)O Z149151642 [1,1,0,0,0,0|0,0,2]=4 387 B7R0.4 C=CCCCC(=O)O Z1205493561 [1,1,0,0,0,0|0,0,1]=3 388 B7R0.4 C=CCNCC(=O)O Z803145546 [1,1,0,0,0,0|0,0,2]=4 389 B7R0.4 C=CCOCC(=O)O Z362807794 [1,1,0,0,0,0|0,0,2]=4 390 B7R0.4 C=CCSCC(=O)O Z149151274 [1,1,0,0,0,0|0,0,2]=4 391 B7R0.4 CC#CCCC(=O)O Z1205493674 [1,1,0,0,0,0|0,0,1]=3 392 B7R0.4 CC(=O)NCCCN Z295405102 [1,1,0,0,0,0|2,0,0]=4 393 B7R0.4 CC(=O)NCCCO Z353570744 [1,1,0,0,0,0|2,0,0]=4 394 B7R0.4 CC(C)C/C=C/CO Z1813145997 [1,1,0,0,0,0|0,0,1]=3 395 B7R0.4 CC(C)CCCCN Z1250132304 [1,1,0,0,0,0|1,0,1]=4 396 B7R0.4 CC(C)CNCCO Z3269089575 [1,1,0,0,0,0|0,0,1]=3 397 B7R0.4 CC(C)COCCN Z594038266 [1,1,0,0,0,0|1,0,1]=4 398 B7R0.4 CC(C)CSCCN Z1520645037 [1,1,0,0,0,0|1,0,1]=4 399 B7R0.4 CC(C)NCCCO Z56799938 [1,1,0,0,0,0|0,0,1]=3 400 B7R0.4 CC(C)OCCC#N Z317037874 [1,1,0,0,0,0|1,0,1]=4 401 B7R0.4 CC(C)OCCCN Z2677507870 [1,1,0,0,0,0|1,0,1]=4 402 B7R0.4 CC(C)OCCCO Z1080358780 [1,1,0,0,0,0|0,0,1]=3 403 B7R0.4 CC(N)CCCCO Z2234185667 [1,1,0,0,0,0|1,0,1]=4 404 B7R0.4 CCC/C=C/C(=O)O Z104506794 [1,1,0,0,0,0|0,0,1]=3 405 B7R0.4 CCCCCC(=N)N Z3490473907 [1,1,0,0,0,0|2,0,0]=4 406 B7R0.4 CCCCCC(=O)O Z104503532 [1,1,0,0,0,0|0,0,0]=2 407 B7R0.4 CCCCNC(=S)N Z56930717 [1,1,0,0,0,0|1,1,0]=4 408 B7R0.4 CCCCOC(=O)N Z104476286 [1,1,0,0,0,0|1,0,0]=3 409 B7R0.4 CCCNCC(=O)N Z2211231296 [1,1,0,0,0,0|1,0,0]=3 410 B7R0.4 CCCNCC(=O)O Z744582718 [1,1,0,0,0,0|0,0,0]=2 411 B7R0.4 CCCNCC(C)C Z90518190 [1,1,0,0,0,0|1,0,1]=4 412 B7R0.4 CCCOCC(=O)O Z406677750 [1,1,0,0,0,0|0,0,0]=2 413 B7R0.4 CCCSCC(=O)C Z447929234 [1,1,0,0,0,0|1,0,0]=3 414 B7R0.4 CCCSCC(=O)O Z228425458 [1,1,0,0,0,0|0,0,0]=2 415 B7R0.4 CCNCCC(=O)N Z2681234913 [1,1,0,0,0,0|1,0,0]=3 416 B7R0.4 CCNCCC(=O)O Z1869802098 [1,1,0,0,0,0|0,0,0]=2 417 B7R0.4 CCOCCC(=O)O Z316258938 [1,1,0,0,0,0|0,0,0]=2 418 B7R0.4 CCSCCC(=O)O Z197206046 [1,1,0,0,0,0|0,0,0]=2 419 B7R0.4 CNCCCC(=O)O Z57043473 [1,1,0,0,0,0|0,0,0]=2 420 B7R0.4 CNCCNC(=O)C Z1456777974 [1,1,0,0,0,0|2,0,0]=4 421 B7R0.4 COCCCC(=N)N Z1267882086 [1,1,0,0,0,0|2,0,0]=4 422 B7R0.4 COCCCC(=O)C Z406376722 [1,1,0,0,0,0|1,0,0]=3 423 B7R0.4 COCCCC(=O)O Z316258912 [1,1,0,0,0,0|0,0,0]=2 424 B7R0.4 COCCCC(C)O Z854048762 [1,1,0,0,0,0|1,0,1]=4 425 B7R0.4 COCCCN(C)C Z2894648941 [1,1,0,0,0,0|1,0,1]=4 426 B7R0.4 COCCNC(=O)N Z56904572 [1,1,0,0,0,0|2,0,0]=4 427 B7R0.4 CSCCCC(=O)O Z54602911 [1,1,0,0,0,0|0,0,0]=2 428 B7R0.4 N#CCCCC(=O)O Z1198152304 [1,1,0,0,0,0|0,0,1]=3 429 B7R0.4 N#CCSCC(=O)O Z19691779 [1,1,0,0,0,0|1,0,1]=4 430 B7R0.4 NC(=O)COCCO Z1198148880 [1,1,0,0,0,0|2,0,0]=4 431 B7R0.4 NC(=O)NCCCO Z198194722 [1,1,0,0,0,0|2,0,0]=4 432 B7R0.4 NCCCCC(=O)N Z1639630947 [1,1,0,0,0,0|1,0,0]=3 433 B7R0.4 NCCCCC(=O)O Z271111992 [1,1,0,0,0,0|0,0,0]=2 434 B7R0.4 NCCCOC(=O)N Z3337481796 [1,1,0,0,0,0|2,0,0]=4 435 B7R0.4 NCCNCC(=O)O Z2692249907 [1,1,0,0,0,0|1,0,0]=3 436 B7R0.4 NCCOCC(=O)N Z1428158847 [1,1,0,0,0,0|2,0,0]=4 437 B7R0.4 NCCOCC(=O)O Z1650039500 [1,1,0,0,0,0|1,0,0]=3 438 B7R0.4 NCCSCC(=O)O Z1381287295 [1,1,0,0,0,0|1,0,0]=3 439 B7R0.4 O=C(O)CCCCBr Z104479696 [1,1,0,0,0,0|0,0,0]=2 440 B7R0.4 O=C(O)CCCCS Z808230828 [1,1,0,0,0,0|0,0,0]=2 441 B7R0.4 O=C(O)CNCCO Z425411352 [1,1,0,0,0,0|1,0,0]=3 442 B7R0.4 O=C([O-])CCCCO Z2335631573 [1,1,0,0,0,0|0,0,1]=3 443 B7R0.4 O=C([O-])COCCO Z1744715804 [1,1,0,0,0,0|1,0,1]=4 444 B7R0.5 C#CCC(O)C(C)C Z969111562 [1,1,0,0,0,0|1,0,1]=4 445 B7R0.5 C/C=C/C(O)C(=O)O Z2515207189 [1,1,0,0,0,0|0,0,2]=4 446 B7R0.5 C=CCC(N)C(=O)O Z317024964 [1,1,0,0,0,0|0,0,2]=4 447 B7R0.5 C=CC[C@@H](N)C(=O)O Z1374884973 [1,1,0,0,0,0|0,0,2]=4 448 B7R0.5 CC(C)C(C)CCN Z4760484132 [1,1,0,0,0,0|1,0,1]=4 449 B7R0.5 CC(C)C(N)CCO Z979743766 [1,1,0,0,0,0|0,0,1]=3 450 B7R0.5 CC(C)C(O)CC#N Z1255499091 [1,1,0,0,0,0|1,0,1]=4 451 B7R0.5 CC(C)C(O)CCN Z1203588096 [1,1,0,0,0,0|1,0,1]=4 452 B7R0.5 CC(C)C(O)CCO Z1532770488 [1,1,0,0,0,0|0,0,1]=3 453 B7R0.5 CC(CCN)C(=O)O Z2298167292 [1,1,0,0,0,0|1,0,0]=3 454 B7R0.5 CCCC(C)C(=O)O Z104477112 [1,1,0,0,0,0|0,0,0]=2 455 B7R0.5 CCCC(N)C(=O)O Z317024724 [1,1,0,0,0,0|0,0,0]=2 456 B7R0.5 CCC[C@@H](N)C(=O)O Z763365012 [1,1,0,0,0,0|0,0,0]=2 457 B7R0.5 CCC[C@H](N)C(=O)O Z1033300662 [1,1,0,0,0,0|0,0,0]=2 458 B7R0.5 CCNC(C)C(=O)O Z3181996310 [1,1,0,0,0,0|1,0,0]=3 459 B7R0.5 CCOC(C)C(=O)O Z316258934 [1,1,0,0,0,0|1,0,0]=3 460 B7R0.5 CNCC(C)C(=O)O Z1270387301 [1,1,0,0,0,0|1,0,0]=3 461 B7R0.5 CNCC(C)C(C)C Z3894049929 [1,1,0,0,0,0|2,0,0]=4 462 B7R0.5 CNCC(N)C(C)C Z756920458 [1,1,0,0,0,0|2,0,0]=4 463 B7R0.5 COCC(C)C(=O)O Z431541094 [1,1,0,0,0,0|1,0,0]=3 464 B7R0.5 COCC(N)C(=O)O Z1613478163 [1,1,0,0,0,0|1,0,0]=3 465 B7R0.5 COCC(N)C(C)C Z825742262 [1,1,0,0,0,0|2,0,0]=4 466 B7R0.5 CSCC(C)C(=O)O Z732206684 [1,1,0,0,0,0|1,0,0]=3 467 B7R0.5 CSCC(N)C(=O)O Z317025996 [1,1,0,0,0,0|1,0,0]=3 468 B7R0.5 NC(CCF)C(=O)O Z2470036329 [1,1,0,0,0,0|1,0,0]=3 469 B7R0.5 NC(CCO)C(=O)O Z234896487 [1,1,0,0,0,0|1,0,0]=3 470 B7R0.5 NCCC(F)C(=O)O Z3235903750 [1,1,0,0,0,0|1,0,0]=3 471 B7R0.5 NCC[C@H](N)C(=O)O Z1741978716 [1,1,0,0,0,0|1,0,0]=3 472 B7R0.5 NCC[C@H](O)C(=O)O Z1203578154 [1,1,0,0,0,0|1,0,0]=3 473 B7R0.5 N[C@@H](CCO)C(=O)O Z1172369006 [1,1,0,0,0,0|1,0,0]=3 474 B7R0.5 N[C@H](CCO)C(=O)O Z608345098 [1,1,0,0,0,0|1,0,0]=3 475 B7R0.8 C=CCNC(C)(C)C Z2583036183 [1,1,0,0,0,0|2,0,0]=4 476 B7R0.8 CC(C)(C)CCC#N Z819990894 [1,1,0,0,0,0|1,0,1]=4 477 B7R0.8 CC(C)(C)CCCN Z819989370 [1,1,0,0,0,0|1,0,1]=4 478 B7R0.8 CC(C)(C)CCCO Z1183459256 [1,1,0,0,0,0|0,0,1]=3 479 B7R0.8 CC(C)(C)SCCO Z71305457 [1,1,0,0,0,0|1,0,1]=4 480 B7R0.8 CC(C)(N)CCCN Z1184860919 [1,1,0,0,0,0|1,0,1]=4 481 B7R0.8 CC(C)(O)CCCO Z1255438724 [1,1,0,0,0,0|0,0,1]=3 482 B7R0.8 CCCCC(C)(C)N Z4437707785 [1,1,0,0,0,0|1,0,1]=4 483 B7R0.8 CCCCS(=O)(=O)N Z55264566 [1,1,0,0,0,0|1,0,1]=4 484 B7R0.8 CNCCC(C)(C)C Z2380417739 [1,1,0,0,0,0|2,0,0]=4 485 B7R0.8 CNCCC(C)(C)N Z2313105672 [1,1,0,0,0,0|2,0,0]=4 486 B7R0.8 CNCCS(=O)(=O)O Z3989262607 [1,1,0,0,0,0|2,0,0]=4 487 B7R0.8 COCCC(C)(C)N Z879061970 [1,1,0,0,0,0|2,0,0]=4 488 B7R0.8 NCCCS(=O)(=O)O Z1203578094 [1,1,0,0,0,0|2,0,0]=4 489 B7R0.9 CC(=O)CC(C)(C)C Z1171198845 [0,1,0,0,1,0|1,0,0]=3 490 B7R0.9 CC(C)(Br)CC(=O)O Z1262512457 [0,1,0,0,1,0|0,0,0]=2 491 B7R0.9 CC(C)(C)CC(=O)N Z278515142 [0,1,0,0,1,0|1,0,0]=3 492 B7R0.9 CC(C)(C)CC(=O)O Z104478420 [0,1,0,0,1,0|0,0,0]=2 493 B7R0.9 CC(C)(N)CC(=O)N Z1459435491 [0,1,0,0,1,0|1,0,0]=3 494 B7R0.9 CC(C)(N)CC(=O)O Z1255523279 [0,1,0,0,1,0|0,0,0]=2 495 B7R0.9 CC(C)(O)CC(=N)N Z3804955217 [0,1,0,0,1,0|2,0,0]=4 496 B7R0.9 CC(C)(O)CC(=O)O Z982131798 [0,1,0,0,1,0|0,0,0]=2 497 B7R0.9 CC(C)CS(=O)(=O)N Z734461478 [0,1,0,0,1,0|1,0,1]=4 498 B7R0.9 CC(F)(F)CC(=O)O Z1205496030 [0,1,0,0,1,0|1,0,0]=3 499 B7R0.9 CC(O)CC(C)(C)O Z1255485267 [0,1,0,0,1,0|1,0,1]=4 500 B7R0.9 CS(=O)(=O)CC(=O)O Z295402410 [0,1,0,0,1,0|2,0,0]=4 501 B7R0.9 C[N+](C)(C)CC(=O)[O-] Z2289798098 [0,1,0,0,1,0|1,0,1]=4 502 B7R0.9 C[N+](C)(N)CC(=O)[O-] Z56832246 [0,1,0,0,1,0|1,0,1]=4 503 B7R0.16 CC(=C(F)C(=O)O)C Z1205494362 [0,1,0,0,1,0|0,0,2]=4 504 B7R0.16 CC(C(=O)N)N(C)C Z4968292210 [0,1,0,0,1,0|2,0,0]=4 505 B7R0.16 CC(C)C(Br)C(=O)O Z203888738 [0,1,0,0,1,0|0,0,0]=2 506 B7R0.16 CC(C)C(C)C(=O)O Z756391682 [0,1,0,0,1,0|0,0,0]=2 507 B7R0.16 CC(C)C(Cl)C(=O)O Z336080700 [0,1,0,0,1,0|0,0,0]=2 508 B7R0.16 CC(C)C(N)C(=O)N Z1266823200 [0,1,0,0,1,0|1,0,0]=3 509 B7R0.16 CC(C)C(N)C(=O)O Z57127382 [0,1,0,0,1,0|0,0,0]=2 510 B7R0.16 CC(C)C(S)C(=O)O Z808230896 [0,1,0,0,1,0|0,0,0]=2 511 B7R0.16 CC(C)[C@@H](N)C(=O)N Z1198153018 [0,1,0,0,1,0|1,0,0]=3 512 B7R0.16 CC(C)[C@@H](N)C(=O)O Z813018028 [0,1,0,0,1,0|0,0,0]=2 513 B7R0.16 CC(C)[C@H](N)C(=O)O Z756430564 [0,1,0,0,1,0|0,0,0]=2 514 B7R0.16 CC(N)C(C)C(=O)O Z1198162847 [0,1,0,0,1,0|1,0,0]=3 515 B7R0.16 CC(O)C(C)C(=O)O Z982137146 [0,1,0,0,1,0|1,0,0]=3 516 B7R0.16 C[C@@H](C(=O)O)N(C)C Z1350606494 [0,1,0,0,1,0|1,0,0]=3 517 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O Z1201618669 [0,1,0,0,1,0|1,0,0]=3 518 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O Z813019058 [0,1,0,0,1,0|1,0,0]=3 519 B7R0.16 C[C@H](C(=O)O)N(C)C Z1205493968 [0,1,0,0,1,0|1,0,0]=3 520 B7R0.16 C[C@H](O)[C@H](N)C(=O)O Z1162448524 [0,1,0,0,1,0|1,0,0]=3 521 B9R0.1 CC(C)CCNC(=O)CCl Z56886287 [0,1,0,0,0,1|1,0,0]=3 522 B9R0.1 CC(C)CCNC(=S)NN Z55993000 [0,1,0,0,0,1|1,1,0]=4 523 B9R0.1 CC(C)COCC(O)CN Z285181512 [0,1,0,0,0,1|1,0,1]=4 524 B9R0.1 CCC(=O)NCCC(=O)O Z85914366 [0,1,0,0,0,1|1,0,1]=4 525 B9R0.1 CCC(=O)NCCN(C)C Z56892420 [0,1,0,0,0,1|2,0,0]=4 526 B9R0.1 CN(C)CCOC(=O)CO Z3303138104 [0,1,0,0,0,1|1,0,0]=3 527 B9R0.1 CN(CCCC(=O)O)N=O Z1198155577 [0,1,0,0,0,1|2,0,0]=4 528 B9R0.1 CNC(=N)NCCC(C)C Z1347691724 [0,1,0,0,0,1|2,0,0]=4 529 B9R0.1 CNC(=O)CCNC(C)C Z1449756290 [0,1,0,0,0,1|1,0,0]=3 530 B9R0.1 COC(=O)CCCC(=O)O Z203045008 [0,1,0,0,0,1|1,0,1]=4 531 B9R0.1 COC(=O)CCCS(=O)C Z802572168 [0,1,0,0,0,1|2,0,0]=4 532 B9R0.1 COC(=O)CCNC(C)C Z140567588 [0,1,0,0,0,1|0,0,0]=2 533 B9R0.1 COC(=O)CNCC(C)C Z235645558 [0,1,0,0,0,1|0,0,0]=2 534 B9R0.1 COC(=O)CSCC(=O)O Z65933549 [0,1,0,0,0,1|1,0,1]=4 535 B9R0.1 COC(=O)NCCC(=O)O Z192954732 [0,1,0,0,0,1|1,0,1]=4 536 B9R0.1 O=C(O)CCNC(=O)CO Z1203746027 [0,1,0,0,0,1|1,0,1]=4 537 B9R0.7 C=C(CCN(C)C)C(=O)O Z2582507950 [0,1,0,0,0,1|1,0,0]=3 538 B9R0.7 CC(=CCC(N)C(=O)O)C Z317024968 [0,1,0,0,0,1|0,0,1]=3 539 B9R0.7 CC(=O)CCC(N)C(=O)O Z1436472892 [0,1,0,0,0,1|1,0,1]=4 540 B9R0.7 CC(C)C(=O)NCC(=O)O Z85886685 [0,1,0,0,0,1|0,0,1]=3 541 B9R0.7 CC(C)C(N)CCC(=O)O Z4607148563 [0,1,0,0,0,1|0,0,0]=2 542 B9R0.7 CC(C)CCC(N)C(=O)O Z1259339953 [0,1,0,0,0,1|0,0,0]=2 543 B9R0.7 CC(C)COC(C)C(=O)O Z316259214 [0,1,0,0,0,1|0,0,0]=2 544 B9R0.7 CC(CCC(=O)O)N(C)C Z2732402258 [0,1,0,0,0,1|1,0,0]=3 545 B9R0.7 CC(CCN(C)C)C(=O)O Z2754060676 [0,1,0,0,0,1|1,0,0]=3 546 B9R0.7 CC(S)C(=O)NCC(=O)O Z2681891170 [0,1,0,0,0,1|1,0,1]=4 547 B9R0.7 CN(C)C(=O)CCC(=O)O Z270759422 [0,1,0,0,0,1|1,0,0]=3 548 B9R0.7 CS(=O)CC[C@H](N)C(=O)O Z1198149738 [0,1,0,0,0,1|2,0,0]=4 549 B9R0.7 NC(CCC(=O)O)C(F)F Z2733335696 [0,1,0,0,0,1|2,0,0]=4 550 B9R0.53 CC(C)CC(C)CC(=O)O Z352782544 [0,1,0,0,0,1|0,0,0]=2 551 B9R0.53 CC(C)CC(C)CC(C)O Z1238571962 [0,1,0,0,0,1|1,0,1]=4 552 B9R0.53 CC(C)CC(N)CC(=O)O Z3251695059 [0,1,0,0,0,1|0,0,0]=2 553 B9R0.53 CC(CC(=O)O)CN(C)C Z2824350104 [0,1,0,0,0,1|1,0,0]=3 554 B9R0.56 CC(=O)OCC[N+](C)(C)C Z600425176 [0,1,0,0,0,1|2,0,0]=4 555 B9R0.56 CC(C)(C)CC#CC(=O)O Z1205495625 [0,1,0,0,0,1|0,0,1]=3 556 B9R0.56 CC(C)(C)CCCC(=O)O Z819995404 [0,1,0,0,0,1|0,0,0]=2 557 B9R0.56 CC(C)(C)CNCC(=O)O Z2526356733 [0,1,0,0,0,1|0,0,0]=2 558 B9R0.56 CC(C)(C)NCCC(=O)N Z382711920 [0,1,0,0,0,1|1,0,0]=3 559 B9R0.56 CC(C)(C)NCCC(=O)O Z235348197 [0,1,0,0,0,1|0,0,0]=2 560 B9R0.56 CC(C)NCCS(=O)(=O)C Z224188378 [0,1,0,0,0,1|1,0,1]=4 561 B9R0.56 CC(C)OCCS(=O)(=O)N Z820611154 [0,1,0,0,0,1|1,0,1]=4 562 B9R0.56 CC(O)CNCC(C)(C)C Z4835620332 [0,1,0,0,0,1|1,0,1]=4 563 B9R0.56 CS(=O)(=O)CCCC(=O)O Z732206736 [0,1,0,0,0,1|2,0,0]=4 564 B9R0.56 CS(=O)(=O)NCCC(=O)O Z45674355 [0,1,0,0,0,1|2,0,0]=4 565 B9R0.56 C[N+](C)(C)CCOC(=O)N Z1255415481 [0,1,0,0,0,1|2,0,0]=4 566 B9R0.56 C[N+](C)(C)NCCC(=O)[O-] Z1198155653 [0,1,0,0,0,1|1,0,1]=4 567 B9R0.56 O=C(O)CCCC(F)(F)F Z1201621744 [0,1,0,0,0,1|2,0,0]=4 568 B9R0.56 O=C(O)CCSC(F)(F)F Z381191544 [0,1,0,0,0,1|2,0,0]=4 569 B9R0.56 O=C(O)CNCC(F)(F)F Z1259161959 [0,1,0,0,0,1|2,0,0]=4 570 B9R0.56 O=C(O)COCC(F)(F)F Z818727240 [0,1,0,0,0,1|2,0,0]=4 571 B9R0.21 CC(C)(C)CCC(N)CO Z1198179460 [0,2,0,0,0,0|1,0,1]=4 572 B9R0.21 CC(C)(O)CNC(=O)CCl Z1258726508 [0,2,0,0,0,0|2,0,0]=4 573 B9R0.21 CNC(=O)CSC(C)(C)C Z32015673 [0,2,0,0,0,0|2,0,0]=4 574 B9R0.21 COC(=O)C#CC(C)(C)N Z4497092775 [0,2,0,0,0,0|0,0,2]=4 575 B9R0.21 COC(=O)CCC(C)(C)N Z1267881621 [0,2,0,0,0,0|0,0,0]=2 576 B9R0.21 COC(=O)CNC(C)(C)C Z335284848 [0,2,0,0,0,0|1,0,0]=3 577 B9R0.21 COC(=O)CSC(C)(C)C Z17298529 [0,2,0,0,0,0|1,0,0]=3 578 B9R0.23 CCC(=O)C(C)CC(C)C Z1138187020 [0,2,0,0,0,0|1,0,0]=3 579 B9R0.23 CCC(C)C(O)CC(=O)O Z982132268 [0,2,0,0,0,0|0,0,0]=2 580 B9R0.23 CNC(=O)C(N)CC(C)C Z815264052 [0,2,0,0,0,0|1,0,0]=3 581 B9R0.23 COC(=O)C(C)CC(=O)C Z838956118 [0,2,0,0,0,0|1,0,1]=4 582 B9R0.23 COC(=O)C(C)CC(=O)O Z1365493289 [0,2,0,0,0,0|1,0,1]=4 583 B9R0.23 COC(=O)C(N)CC(C)C Z56960272 [0,2,0,0,0,0|0,0,0]=2 584 B9R0.23 COC(=O)C(N)CN(C)C Z2096088400 [0,2,0,0,0,0|1,0,0]=3 585 B9R0.23 COC(=O)C(O)CC(C)C Z965047572 [0,2,0,0,0,0|0,0,0]=2 586 B9R0.24 COC(=O)CCC(=O)CN Z3015912776 [0,2,0,0,0,0|1,0,1]=4 587 B9R0.24 COC(=O)CCC(C)OC Z1634338049 [0,2,0,0,0,0|0,0,0]=2 588 B9R0.42 CC(C)C(C)NC(=O)CCl Z56928920 [0,2,0,0,0,0|2,0,0]=4 589 B9R0.42 CCC(=O)CC(N)C(=O)O Z1820077230 [0,2,0,0,0,0|1,0,1]=4 590 B9R0.42 CCC(C)CC(N)C(=O)O Z2306603552 [0,2,0,0,0,0|0,0,0]=2 591 B9R0.42 CNC(C)CN(C)C(=O)C Z4994365145 [0,2,0,0,0,0|2,0,0]=4 592 B9R0.42 COC(=O)C[C@H](N)C(=O)O Z1079458540 [0,2,0,0,0,0|1,0,1]=4 593 B9R0.42 O=C(O)C(O)CC(O)CO Z1262514590 [0,2,0,0,0,0|1,0,0]=3 594 B9R0.43 CCN(CC)CCC(=O)O Z1259161971 [0,2,0,0,0,0|1,0,0]=3 595 B9R0.48 CC(C)CC/C(=C/C#N)/[O-] Z1585486667 [0,2,0,0,0,0|1,0,1]=4 596 B9R0.48 CC(C)CNC(=O)CC#N Z169918906 [0,2,0,0,0,0|2,0,0]=4 597 B9R0.48 CC(C)CNC(=O)CCN Z1449763104 [0,2,0,0,0,0|2,0,0]=4 598 B9R0.48 CCCN(C)CCC(=O)O Z1259273124 [0,2,0,0,0,0|1,0,0]=3 599 B9R0.48 CCNC(=O)CCC(=O)O Z90312637 [0,2,0,0,0,0|1,0,1]=4 600 B9R0.48 CCOC(=O)CCC(=O)O Z56896764 [0,2,0,0,0,0|1,0,1]=4 601 B9R0.48 CCOC(=O)CCN(C)C Z104477518 [0,2,0,0,0,0|1,0,0]=3 602 B9R0.48 CCOC(=O)CNC(C)C Z1741967075 [0,2,0,0,0,0|1,0,0]=3 603 B9R0.48 CN(CCO)CCC(=O)O Z53116523 [0,2,0,0,0,0|1,0,0]=3 604 B9R0.48 COCC(C)NCC(=O)O Z1259273105 [0,2,0,0,0,0|1,0,0]=3 605 B9R0.64 CC(C)(CN)OCC(=O)O Z5213301974 [0,2,0,0,0,0|1,0,0]=3 606 B9R0.64 CC(C)(CO)CCC(=O)[O-] Z4539765468 [0,2,0,0,0,0|0,0,1]=3 607 B9R0.64 CC(C)CCC(C)(O)CN Z419085084 [0,2,0,0,0,0|1,0,1]=4 608 B9R0.64 CCC(C)(C)OCC(=O)O Z362795510 [0,2,0,0,0,0|1,0,0]=3 609 B9R0.64 CNS(=O)(=O)CCC(=O)O Z351064476 [0,2,0,0,0,0|2,0,0]=4 610 B9R0.10 CC(C)(C)C(N)CC(=O)O Z1582263789 [0,2,0,0,0,0|0,0,0]=2 611 B9R0.10 CC(C)CC(C)S(=O)(=O)N Z954606604 [0,2,0,0,0,0|1,0,1]=4 612 B9R0.10 CC(CC(=O)O)C(C)(C)C Z352782682 [0,2,0,0,0,0|0,0,0]=2 613 B9R0.10 CC(CC(=O)O)C(C)(C)N Z3244926252 [0,2,0,0,0,0|0,0,0]=2 614 B9R0.10 NC(CC(=O)O)C(F)(F)F Z56782526 [0,2,0,0,0,0|2,0,0]=4 615 B9R0.10 O=C(O)CC(O)C(Cl)(Cl)Cl Z57228437 [0,2,0,0,0,0|2,0,0]=4 616 B9R0.11 CC(=O)C(C)(C)CN(C)C Z1259162017 [0,2,0,0,0,0|2,0,0]=4 617 B9R0.11 CC(=O)CC(C)(C)C(=O)O Z1205493714 [0,2,0,0,0,0|1,0,1]=4 618 B9R0.11 CC(C)(CC(=O)O)C(F)F Z1934556434 [0,2,0,0,0,0|2,0,0]=4 619 B9R0.11 CC(C)(CC(F)F)C(=O)O Z1321944873 [0,2,0,0,0,0|2,0,0]=4 620 B9R0.11 CC(C)CC(C)(C)C(=O)O Z995179602 [0,2,0,0,0,0|0,0,0]=2 621 B9R0.11 CC(C)CC(C)(N)C(=O)N Z477337822 [0,2,0,0,0,0|1,0,0]=3 622 B9R0.11 CC(C)CC(C)(N)C(=O)O Z4767745729 [0,2,0,0,0,0|0,0,0]=2 623 B9R0.11 CC(C)OC(C)(C)C(=O)O Z803494892 [0,2,0,0,0,0|1,0,0]=3 624 B9R0.11 CC(C)S(=O)(=O)CC(=O)O Z295402418 [0,2,0,0,0,0|1,0,0]=3 625 B9R0.11 CC(N)(CC(=O)O)C(F)F Z3752641567 [0,2,0,0,0,0|2,0,0]=4 626 B9R0.11 CC(N)C(C)(C)CC(=O)O Z4138536717 [0,2,0,0,0,0|1,0,0]=3 627 B9R0.11 CN(C)CC(C)(C)C(=O)O Z2941395068 [0,2,0,0,0,0|1,0,0]=3 628 B9R0.11 CN(C)S(=O)(=O)CC(=O)O Z351065026 [0,2,0,0,0,0|2,0,0]=4 629 B9R0.11 O=C(O)CC(F)(F)C(F)F Z362805766 [0,2,0,0,0,0|2,0,0]=4 630 B9R0.39 CC(C)CC(CN)C(=O)O Z1948934651 [0,2,0,0,0,0|0,0,0]=2 631 B9R0.39 CCC(CC(=O)O)C(C)C Z608350044 [0,2,0,0,0,0|0,0,0]=2 632 B9R0.39 CCC(CC(C)C)C(=O)O Z756391140 [0,2,0,0,0,0|0,0,0]=2 633 B9R0.39 CCC(CC(F)F)C(=O)O Z1321943682 [0,2,0,0,0,0|2,0,0]=4 634 B9R0.39 CCC(NC(C)C)C(=O)O Z2306604116 [0,2,0,0,0,0|1,0,0]=3 635 B9R0.39 COC(CC(C)C)C(=O)O Z1205496164 [0,2,0,0,0,0|0,0,0]=2 636 B9R0.39 NCC(CC(=O)O)C(F)F Z1262560350 [0,2,0,0,0,0|2,0,0]=4 637 B9R0.57 C/C(=C\C(C)(C)C)/C(=O)O Z1868430509 [0,2,0,0,0,0|0,0,2]=4 638 B9R0.57 CC(C)(C)CC(N)C(=O)O Z1492781338 [0,2,0,0,0,0|0,0,0]=2 639 B9R0.57 CC(C)(C)CC(O)C(=O)O Z1041195612 [0,2,0,0,0,0|0,0,0]=2 640 B9R0.57 CC(C)(Cl)CC(N)C(=O)O Z2432627366 [0,2,0,0,0,0|0,0,0]=2 641 B9R0.57 CC(CC(C)(C)C)C(=O)O Z1198149948 [0,2,0,0,0,0|0,0,0]=2 642 B9R0.57 CC(CC(C)(C)N)C(=O)O Z1742056030 [0,2,0,0,0,0|0,0,0]=2 643 B9R0.57 CC(CC(F)(F)F)C(=O)O Z1201619644 [0,2,0,0,0,0|2,0,0]=4 644 B9R0.57 CC(CS(=O)(=O)C)C(=O)O Z732206758 [0,2,0,0,0,0|2,0,0]=4 645 B9R0.57 CC(F)(F)CC(N)C(=O)O Z3325264018 [0,2,0,0,0,0|1,0,0]=3 646 B9R0.57 NC(CC(F)(F)F)C(=O)O Z1357902358 [0,2,0,0,0,0|2,0,0]=4 647 B9R0.79 CC(C)C(C)C(N)C(=O)O Z1203580293 [0,2,0,0,0,0|0,0,0]=2 648 B9R0.79 CC(C)C(N)C(O)C(=O)O Z1203578698 [0,2,0,0,0,0|0,0,0]=2 649 B9R0.79 CC(C)N(O)C(=O)C(=O)O Z1205656969 [0,2,0,0,0,0|1,0,1]=4 650 B9R0.77 CC(C)(C)CCS(=O)(=O)N Z734461456 [0,2,0,0,0,0|1,0,1]=4 651 B9R0.77 CC(C)(N)CCS(=O)(=O)C Z992953524 [0,2,0,0,0,0|1,0,1]=4 652 B9R0.77 CC(C)(O)CCC(C)(C)O Z57147150 [0,2,0,0,0,0|1,0,1]=4 653 B7R1.2 CC1CC(=O)CN1 Z1509349081 [1,0,0,1,0,0|1,0,0]=3 654 B7R1.2 CC1CC(=O)NN1 Z217165562 [1,0,0,1,0,0|2,0,0]=4 655 B7R1.2 CC1CC(CN1)O Z1201051000 [1,0,0,1,0,0|1,0,1]=4 656 B7R1.2 CC1CCC(=O)N1 Z1250132456 [1,0,0,1,0,0|1,0,0]=3 657 B7R1.2 CC1CCC(=O)O1 Z963595138 [1,0,0,1,0,0|0,0,0]=2 658 B7R1.2 CC1CCC(C1)O Z1233224917 [1,0,0,1,0,0|0,0,1]=3 659 B7R1.2 CC1CN=C(O1)N Z1203579428 [1,0,0,1,0,0|2,0,0]=4 660 B7R1.2 CC1CNC(=N)C1 Z4085233400 [1,0,0,1,0,0|2,0,0]=4 661 B7R1.2 CC1CNC(=O)C1 Z959319678 [1,0,0,1,0,0|1,0,0]=3 662 B7R1.2 CC1CNC(=O)N1 Z1203730895 [1,0,0,1,0,0|2,0,0]=4 663 B7R1.2 CC1CNC(=O)O1 Z1198149952 [1,0,0,1,0,0|1,0,0]=3 664 B7R1.2 CN1CCC(=O)C1 Z415646350 [1,0,0,1,0,0|1,0,0]=3 665 B7R1.2 CN1CCC(=O)N1 Z1618125551 [1,0,0,1,0,0|2,0,0]=4 666 B7R1.2 NC1CCS(=O)C1 Z1267860904 [1,0,0,1,0,0|2,0,0]=4 667 B7R1.2 NC1CNC(=O)C1 Z1198329759 [1,0,0,1,0,0|2,0,0]=4 668 B7R1.2 O=C1CC(CN1)O Z1198157723 [1,0,0,1,0,0|2,0,0]=4 669 B7R1.2 O=C1CCC(=O)O1 Z57127506 [1,0,0,1,0,0|1,0,1]=4 670 B7R1.3 CC1COCCN1 Z336087928 [1,0,0,1,0,0|1,0,1]=4 671 B7R1.3 C[C@H]1CCCNC1 Z1895741201 [1,0,0,1,0,0|1,0,1]=4 672 B7R1.3 NC1=NCCCC1 Z1723418848 [1,0,0,1,0,0|2,0,0]=4 673 B7R1.3 NC1CCCOC1 Z1013492300 [1,0,0,1,0,0|1,0,1]=4 674 B7R1.3 O=C1C=CCCC1 Z295197140 [1,0,0,1,0,0|1,0,1]=4 675 B7R1.3 O=C1C=CCCO1 Z1255402681 [1,0,0,1,0,0|0,0,2]=4 676 B7R1.3 O=C1CCCCC1 Z104474256 [1,0,0,1,0,0|1,0,0]=3 677 B7R1.3 O=C1CCCCN1 Z168817684 [1,0,0,1,0,0|1,0,0]=3 678 B7R1.3 O=C1CCCCO1 Z432085120 [1,0,0,1,0,0|0,0,0]=2 679 B7R1.3 O=C1CCCCS1 Z1726147018 [1,0,0,1,0,0|0,1,0]=3 680 B7R1.3 O=C1CCCNC1 Z3063726909 [1,0,0,1,0,0|2,0,0]=4 681 B7R1.3 O=C1CCCNN1 Z1416174508 [1,0,0,1,0,0|2,0,0]=4 682 B7R1.3 O=C1CCCSC1 Z979714552 [1,0,0,1,0,0|2,0,0]=4 683 B7R1.3 O=C1CCNCC1 Z1741959513 [1,0,0,1,0,0|2,0,0]=4 684 B7R1.3 O=C1CNCCN1 Z56968535 [1,0,0,1,0,0|2,0,0]=4 685 B7R1.3 O=C1CSCCN1 Z337709368 [1,0,0,1,0,0|2,0,0]=4 686 B7R1.3 O=C1NCCCN1 Z1203730774 [1,0,0,1,0,0|2,0,0]=4 687 B7R1.3 O=C1NCCCO1 Z1198312172 [1,0,0,1,0,0|1,0,0]=3 688 B7R1.3 O=C1NNCCO1 Z2732442016 [1,0,0,1,0,0|2,0,0]=4 689 B7R1.3 OC1CCCCC1 Z104473498 [1,0,0,1,0,0|1,0,1]=4 690 B7R1.5 CC1CC1CCN Z4888675966 [1,0,0,1,0,0|1,0,1]=4 691 B7R1.5 CNCC1CC1C Z3752925195 [1,0,0,1,0,0|2,0,0]=4 692 B7R1.7 C=CCCC1CO1 Z1255485443 [1,0,0,1,0,0|2,0,0]=4 693 B7R1.7 C=CCNC1CC1 Z2142036642 [1,0,0,1,0,0|2,0,0]=4 694 B7R1.7 CCCCC1CO1 Z1020679810 [1,0,0,1,0,0|1,0,1]=4 695 B7R1.7 CNCCC1CC1 Z1480642691 [1,0,0,1,0,0|2,0,0]=4 696 B7R1.7 NCCCC1CC1 Z2465611603 [1,0,0,1,0,0|1,0,1]=4 697 B7R1.7 O=C/C=C/C1CC1 Z1318198760 [1,0,0,1,0,0|0,0,2]=4 698 B7R1.7 O=C=NCC1CC1 Z826525040 [1,0,0,1,0,0|1,0,1]=4 699 B7R1.7 O=CCCC1CC1 Z1233208002 [1,0,0,1,0,0|0,0,0]=2 700 B7R1.7 OCCNC1CC1 Z285050134 [1,0,0,1,0,0|1,0,1]=4 701 B7R1.10 C=C1CC(C1)C=O Z1486007751 [1,0,0,1,0,0|0,0,2]=4 702 B7R1.10 C=CC1CC(C1)N Z4052438501 [1,0,0,1,0,0|2,0,0]=4 703 B7R1.10 N[C@H]1C[C@H](C1)CO Z1203585248 [1,0,0,1,0,0|1,0,1]=4 704 B7R1.12 CC(=O)C1CC1C Z1259336498 [1,0,0,1,0,0|1,0,0]=3 705 B7R1.12 CC(C)[C@@H]1C[C@H]1N Z2285053182 [1,0,0,1,0,0|1,0,1]=4 706 B7R1.12 CC1CC1C(=O)N Z33546780 [1,0,0,1,0,0|1,0,0]=3 707 B7R1.12 C[C@@H]1C[C@H]1C(=O)O Z1205493848 [1,0,0,1,0,0|0,0,0]=2 708 B7R1.12 C[C@H]1C[C@@H]1C(=O)O Z1205494110 [1,0,0,1,0,0|0,0,0]=2 709 B7R1.14 CC1(C=CCN1)C Z3477416732 [1,0,0,1,0,0|2,0,0]=4 710 B7R1.14 CC1(CCCC1)O Z449370856 [1,0,0,1,0,0|1,0,1]=4 711 B7R1.14 CC1(CCCN1)C Z1259335892 [1,0,0,1,0,0|1,0,1]=4 712 B7R1.14 CC1(CCNC1)C Z1270207926 [1,0,0,1,0,0|2,0,0]=4 713 B7R1.14 N=S1(=O)CCCC1 Z1862022759 [1,0,0,1,0,0|2,0,0]=4 714 B7R1.17 CC1(CCC1=O)C Z1416192672 [1,0,0,1,0,0|0,0,0]=2 715 B7R1.17 CC1(CCC1N)C Z1813195196 [1,0,0,1,0,0|1,0,1]=4 716 B7R1.17 CC1(CNC1=O)C Z425427928 [1,0,0,1,0,0|1,0,0]=3 717 B7R1.18 CC(O)C1CCC1 Z1198149695 [1,0,0,1,0,0|1,0,1]=4 718 B7R1.18 N=C(N)C1CCC1 Z1532540511 [1,0,0,1,0,0|2,0,0]=4 719 B7R1.18 NC(=O)C1CCC1 Z33546656 [1,0,0,1,0,0|1,0,0]=3 720 B7R1.18 NC(=O)C1CNC1 Z2754447740 [1,0,0,1,0,0|2,0,0]=4 721 B7R1.18 O=C(O)C1CCC1 Z104472264 [1,0,0,1,0,0|0,0,0]=2 722 B7R1.18 O=C(O)C1CCN1 Z168878270 [1,0,0,1,0,0|1,0,0]=3 723 B7R1.18 O=C(O)C1CNC1 Z1171217434 [1,0,0,1,0,0|1,0,0]=3 724 B7R1.18 O=C(O)C1CSC1 Z1205495555 [1,0,0,1,0,0|1,0,0]=3 725 B7R1.20 CC(=O)CC1CC1 Z1198160502 [1,0,0,1,0,0|1,0,0]=3 726 B7R1.20 CC(C)CC1CO1 Z1020679872 [1,0,0,1,0,0|0,0,1]=3 727 B7R1.20 NC(=O)CC1CC1 Z365255854 [1,0,0,1,0,0|1,0,0]=3 728 B7R1.20 NC(=O)NC1CC1 Z57000532 [1,0,0,1,0,0|2,0,0]=4 729 B7R1.20 O=C(O)CC1CC1 Z234893653 [1,0,0,1,0,0|0,0,0]=2 730 B7R1.23 CC1(CC1C#N)C Z756145422 [1,0,0,1,0,0|1,0,1]=4 731 B7R1.23 CC1(CC1C=O)Br Z1513978436 [1,0,0,1,0,0|1,0,0]=3 732 B7R1.23 CC1(CC1C=O)C Z1511745659 [1,0,0,1,0,0|0,0,0]=2 733 B7R1.23 CC1(CC1CN)C Z1267773739 [1,0,0,1,0,0|1,0,1]=4 734 B7R1.23 CC1(CC1CO)C Z1198310193 [1,0,0,1,0,0|0,0,1]=3 735 B7R1.23 CC1(C[C@@H]1C=O)C Z1511802856 [1,0,0,1,0,0|0,0,0]=2 736 B7R1.23 CC1(OC1C=O)C Z1511743636 [1,0,0,1,0,0|1,0,0]=3 737 B7R1.23 CC1(OC1CO)C Z1486035926 [1,0,0,1,0,0|1,0,1]=4 738 B7R1.23 CC1(O[C@@H]1CO)C Z1896550092 [1,0,0,1,0,0|1,0,1]=4 739 B7R1.23 CC1(O[C@H]1CO)C Z1896541488 [1,0,0,1,0,0|1,0,1]=4 740 B7R1.23 CNC1CC1(C)C Z1895742049 [1,0,0,1,0,0|2,0,0]=4 741 B7R1.23 O=CC1CC1(Cl)Cl Z1511747117 [1,0,0,1,0,0|2,0,0]=4 742 B7R1.16 CC1(CC(=O)C1)C Z1386602397 [0,0,0,1,1,0|1,0,0]=3 743 B7R1.16 CC1(CC(=O)N1)C Z1238800208 [0,0,0,1,1,0|1,0,0]=3 744 B9R1.35 CC(=O)N1CCC(C1)I Z1486011417 [0,0,0,1,0,1|2,0,0]=4 745 B9R1.35 CC(=O)N1CCC(C1)N Z1421529530 [0,0,0,1,0,1|2,0,0]=4 746 B9R1.35 CC(=O)N1CCC(C1)O Z1037571952 [0,0,0,1,0,1|2,0,0]=4 747 B9R1.35 CC(=O)N1CC[C@H](C1)N Z4485354356 [0,0,0,1,0,1|2,0,0]=4 748 B9R1.35 CC(C)C1=NNC(=O)O1 Z1198165279 [0,0,0,1,0,1|1,0,1]=4 749 B9R1.35 CC(C)C1CNC(=O)C1 Z1089964728 [0,0,0,1,0,1|1,0,0]=3 750 B9R1.35 CC(C)C1CNC(=O)N1 Z1251362774 [0,0,0,1,0,1|1,0,0]=3 751 B9R1.35 CC(C)N1CCC(=O)C1 Z415646352 [0,0,0,1,0,1|1,0,0]=3 752 B9R1.35 CC1=NOC(C1)C(=O)O Z1198309057 [0,0,0,1,0,1|1,0,1]=4 753 B9R1.35 CC1C=C(CC1)C(=O)O Z1205494874 [0,0,0,1,0,1|0,0,1]=3 754 B9R1.35 CC1CC(CO1)C(=O)O Z1509040560 [0,0,0,1,0,1|0,0,0]=2 755 B9R1.35 CC1CCC(C1)C(=O)O Z1190318311 [0,0,0,1,0,1|0,0,0]=2 756 B9R1.35 CC1COC(C1)C(=O)O Z2785866738 [0,0,0,1,0,1|0,0,0]=2 757 B9R1.35 CC1COC(O1)C(C)C Z1198154966 [0,0,0,1,0,1|1,0,1]=4 758 B9R1.35 CC1NC(CS1)C(=O)O Z317026564 [0,0,0,1,0,1|1,0,0]=3 759 B9R1.35 CN1CCC(C1)C(=O)O Z406683232 [0,0,0,1,0,1|1,0,0]=3 760 B9R1.35 C[C@@H]1CC[C@@H](N1)C(=O)O Z2309921587 [0,0,0,1,0,1|1,0,0]=3 761 B9R1.35 C[C@@H]1CC[C@@H](O1)C(=O)O Z2238277752 [0,0,0,1,0,1|1,0,0]=3 762 B9R1.35 NC(=O)C1CC(CN1)O Z56960275 [0,0,0,1,0,1|2,0,0]=4 763 B9R1.35 NC(=O)N1CCC(C1)N Z1342879018 [0,0,0,1,0,1|2,0,0]=4 764 B9R1.35 NC(=O)[C@@H]1C[C@H](CN1)F Z1203582968 [0,0,0,1,0,1|2,0,0]=4 765 B9R1.35 NC(=O)[C@H]1CC[C@H](C1)N Z2238896801 [0,0,0,1,0,1|2,0,0]=4 766 B9R1.35 NC1C=CC(C1)C(=O)O Z1350606478 [0,0,0,1,0,1|1,0,1]=4 767 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O Z2307368779 [0,0,0,1,0,1|1,0,0]=3 768 B9R1.35 O=C(O)C1CCC(C1)F Z1981870592 [0,0,0,1,0,1|1,0,0]=3 769 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O Z2470415380 [0,0,0,1,0,1|1,0,0]=3 770 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O Z802856442 [0,0,0,1,0,1|1,0,0]=3 771 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O Z1201624589 [0,0,0,1,0,1|1,0,0]=3 772 B9R1.35 O=C1CC(CN1)C(=O)O Z239137534 [0,0,0,1,0,1|1,0,1]=4 773 B9R1.35 O=C1CC(CO1)C(=O)O Z1205493721 [0,0,0,1,0,1|1,0,1]=4 774 B9R1.35 O=C1CC(CS1)C(=O)O Z1201622329 [0,0,0,1,0,1|1,0,1]=4 775 B9R1.35 O=C1CCC(C1)C(=O)O Z1205493622 [0,0,0,1,0,1|1,0,1]=4 776 B9R1.35 O=C1CN[C@@H](C1)C(=O)O Z2902023119 [0,0,0,1,0,1|1,0,1]=4 777 B9R1.35 O=C1COC(C1)C(=O)O Z3002628864 [0,0,0,1,0,1|1,0,1]=4 778 B9R1.49 CC1CCS(=O)CCN1 Z1868316872 [0,0,0,1,0,1|2,0,0]=4 779 B9R1.49 O=C1CCCC(CN1)O Z1255401193 [0,0,0,1,0,1|2,0,0]=4 780 B9R1.53 CN1CC(C1)CC(=O)O Z2239020739 [0,0,0,1,0,1|1,0,0]=3 781 B9R1.53 NC(=O)CC1CC(C1)N Z2831568112 [0,0,0,1,0,1|2,0,0]=4 782 B9R1.53 NC(=O)NC1CC(C1)N Z3146638115 [0,0,0,1,0,1|2,0,0]=4 783 B9R1.53 NC1CC(C1)CC(=O)O Z2832014018 [0,0,0,1,0,1|1,0,0]=3 784 B9R1.53 NC1CN(C1)CC(=O)O Z4201331449 [0,0,0,1,0,1|1,0,0]=3 785 B9R1.53 N[C@H]1C[C@@H](C1)CC(=O)O Z3032846287 [0,0,0,1,0,1|1,0,0]=3 786 B9R1.66 CC1(CC(CCN1)O)C Z3234810851 [0,0,0,1,0,1|1,0,1]=4 787 B9R1.66 CC1(CC(CCO1)O)C Z1192342111 [0,0,0,1,0,1|1,0,1]=4 788 B9R1.66 CC1(CCCC(C1)O)C Z1198148603 [0,0,0,1,0,1|1,0,1]=4 789 B9R1.66 CC1(CCNC(=O)C1)C Z1203732167 [0,0,0,1,0,1|1,0,0]=3 790 B9R1.66 CC1(CNCC(=O)N1)C Z2867580462 [0,0,0,1,0,1|1,0,0]=3 791 B9R1.66 CC1(CNCC(C1)O)C Z2754447857 [0,0,0,1,0,1|1,0,1]=4 792 B9R1.66 CC1(COCC(=O)N1)C Z1198274805 [0,0,0,1,0,1|1,0,0]=3 793 B9R1.66 CC1(CS(=O)CCN1)C Z1270502902 [0,0,0,1,0,1|2,0,0]=4 794 B9R1.66 CC1CC(CCN1)(C)O Z1813192877 [0,0,0,1,0,1|1,0,1]=4 795 B9R1.66 CC1CCCC(C1)(C)O Z449370622 [0,0,0,1,0,1|1,0,1]=4 796 B9R1.66 CC1CNCC(O1)(C)C Z432419530 [0,0,0,1,0,1|1,0,1]=4 797 B9R1.66 CC1CS(=O)(=O)CCN1 Z1203735387 [0,0,0,1,0,1|1,0,1]=4 798 B9R1.85 CC(C)COCC1CO1 Z147642758 [0,0,0,1,0,1|1,0,1]=4 799 B9R1.85 CC(C)OCCC1CO1 Z1495386355 [0,0,0,1,0,1|1,0,1]=4 800 B9R1.85 NC(=O)COCC1CC1 Z458887542 [0,0,0,1,0,1|1,0,0]=3 801 B9R1.85 O=C(O)CCNC1CC1 Z235346951 [0,0,0,1,0,1|0,0,0]=2 802 B9R1.85 O=C(O)CNCC1CC1 Z359505670 [0,0,0,1,0,1|0,0,0]=2 803 B9R1.85 O=C(O)COCC1CC1 Z332379290 [0,0,0,1,0,1|0,0,0]=2 804 B9R1.150 CC1(CCNS1(=O)=O)C Z3053247790 [0,0,0,1,0,1|1,0,1]=4 805 B9R1.161 CC(C)C1CC1C(=O)O Z975823938 [0,0,0,1,0,1|0,0,0]=2 806 B9R1.166 CC1(CCC1C(=O)O)C Z1205494629 [0,0,0,1,0,1|0,0,0]=2 807 B9R1.166 CC1(CNC1C(=O)O)C Z2690814529 [0,0,0,1,0,1|0,0,0]=2 808 B9R1.170 O=C(O)CC1CC1(Cl)Cl Z1262533734 [0,0,0,1,0,1|2,0,0]=4 809 B9R1.1 C=C1CCC(CC1)CN Z2889982961 [0,1,0,1,0,0|2,0,0]=4 810 B9R1.1 CC1CCC(=NO)CC1 Z49568435 [0,1,0,1,0,0|1,0,0]=3 811 B9R1.1 CC1CCC(CC1)C=O Z1250055138 [0,1,0,1,0,0|1,0,1]=4 812 B9R1.1 CCC1CCC(=O)CC1 Z104475572 [0,1,0,1,0,0|1,0,0]=3 813 B9R1.1 CN1CCC(=NO)CC1 Z119992494 [0,1,0,1,0,0|2,0,0]=4 814 B9R1.1 CNC1CCC(CC1)O Z138503904 [0,1,0,1,0,0|1,0,1]=4 815 B9R1.1 CNC1CCS(=O)CC1 Z1259162055 [0,1,0,1,0,0|2,0,0]=4 816 B9R1.1 CN[C@H]1CC[C@H](CC1)O Z3241259883 [0,1,0,1,0,0|1,0,1]=4 817 B9R1.1 COC1CCC(CC1)O Z904962746 [0,1,0,1,0,0|1,0,1]=4 818 B9R1.1 C[C@@H]1CC[C@H](OC1)CN Z3770977955 [0,1,0,1,0,0|1,0,1]=4 819 B9R1.1 C[C@H]1CC[C@@H](CC1)C=O Z1511765971 [0,1,0,1,0,0|1,0,1]=4 820 B9R1.1 NCC1CCC(=O)NC1 Z2418414181 [0,1,0,1,0,0|1,0,0]=3 821 B9R1.1 NCC1CNC(=O)CO1 Z3235039166 [0,1,0,1,0,0|2,0,0]=4 822 B9R1.1 O=CC1CCC(=O)CC1 Z1198165293 [0,1,0,1,0,0|1,0,1]=4 823 B9R1.1 OCC1CCC(CC1)O Z1255451065 [0,1,0,1,0,0|1,0,1]=4 824 B9R1.10 CC1(CCC(=O)CC1)O Z1255440285 [0,1,0,1,0,0|1,0,0]=3 825 B9R1.10 CC1(CCC(=O)NC1)C Z1203731224 [0,1,0,1,0,0|1,0,0]=3 826 B9R1.10 CC1(CCC(CC1)O)N Z3216195539 [0,1,0,1,0,0|1,0,1]=4 827 B9R1.10 CC1(CCC(CC1)O)O Z1813153932 [0,1,0,1,0,0|1,0,1]=4 828 B9R1.10 CC1(CCC(CN1)O)C Z3614373501 [0,1,0,1,0,0|1,0,1]=4 829 B9R1.10 CC1(CNC(=O)CO1)C Z1509200706 [0,1,0,1,0,0|1,0,0]=3 830 B9R1.67 CC1CCN1CC(=O)O Z2177030978 [0,1,0,1,0,0|1,0,0]=3 831 B9R1.67 NC1CCC1CC(=O)O Z4080002320 [0,1,0,1,0,0|1,0,0]=3 832 B9R1.69 CC1CC(=O)CCN1C Z825754016 [0,1,0,1,0,0|2,0,0]=4 833 B9R1.69 CC1CCC(=O)C(C1)C Z854046072 [0,1,0,1,0,0|1,0,0]=3 834 B9R1.69 CC1CCC(C(=O)C1)C Z1238548176 [0,1,0,1,0,0|1,0,1]=4 835 B9R1.69 CC1CCC(C(C1)C)O Z854051758 [0,1,0,1,0,0|1,0,1]=4 836 B9R1.69 CC1CCC(C(C1)O)C Z1201617039 [0,1,0,1,0,0|1,0,1]=4 837 B9R1.69 CC1CCC(CC1C)O Z1201617040 [0,1,0,1,0,0|1,0,1]=4 838 B9R1.69 CC1CN(CCC1=O)C Z825753356 [0,1,0,1,0,0|2,0,0]=4 839 B9R1.69 CC1CNC(=O)C(C1)C Z1203733670 [0,1,0,1,0,0|1,0,0]=3 840 B9R1.69 CC1NC(=O)CCC1N Z1509112048 [0,1,0,1,0,0|2,0,0]=4 841 B9R1.69 CN1CC(CCC1=O)O Z1504678538 [0,1,0,1,0,0|2,0,0]=4 842 B9R1.80 COC(=O)CCC1CO1 Z1504689355 [0,1,0,1,0,0|1,0,0]=3 843 B9R1.80 NCC(=O)NCC1CC1 Z1449922932 [0,1,0,1,0,0|2,0,0]=4 844 B9R1.80 NCC(=O)OCC1CC1 Z1262327490 [0,1,0,1,0,0|2,0,0]=4 845 B9R1.80 O=C(CCl)CCC1CC1 Z2408823652 [0,1,0,1,0,0|1,0,0]=3 846 B9R1.80 O=C(CCl)COC1CC1 Z2831879239 [0,1,0,1,0,0|2,0,0]=4 847 B9R1.80 O=C(CCl)NCC1CC1 Z239813688 [0,1,0,1,0,0|2,0,0]=4 848 B9R1.82 COC(=O)[C@H]1C[C@@H](C1)N Z1147473951 [0,1,0,1,0,0|1,0,0]=3 849 B9R1.84 NC(=O)COC1CNC1 Z2968025778 [0,1,0,1,0,0|2,0,0]=4 850 B9R1.84 O=C(O)/C=C/C1CCC1 Z1868431084 [0,1,0,1,0,0|0,0,2]=4 851 B9R1.84 O=C(O)C#CC1CCC1 Z1235950879 [0,1,0,1,0,0|0,0,2]=4 852 B9R1.84 O=C(O)C#CC1CNC1 Z3353501796 [0,1,0,1,0,0|0,0,2]=4 853 B9R1.84 O=C(O)CNC1CCC1 Z4897302450 [0,1,0,1,0,0|1,0,0]=3 854 B9R1.86 NC[C@@H]1C[C@@H]1CC(=O)O Z4913154380 [0,1,0,1,0,0|0,0,0]=2 855 B9R1.95 CN[C@H]1C[C@H](C1)C(=O)O Z2681202678 [0,1,0,1,0,0|0,0,0]=2 856 B9R1.95 N#C[C@H]1C[C@@H](C1)C(=O)O Z4320204664 [0,1,0,1,0,0|0,0,1]=3 857 B9R1.95 NCC1CC(C1)C(=O)O Z3247510672 [0,1,0,1,0,0|0,0,0]=2 858 B9R1.95 NCC1CN(C1)C(=O)N Z3753017086 [0,1,0,1,0,0|2,0,0]=4 859 B9R1.125 CC1(CCC(=O)N1)C#N Z1201626413 [0,1,0,1,0,0|1,0,1]=4 860 B9R1.125 CC1(CCC(=O)N1)CN Z2242950987 [0,1,0,1,0,0|1,0,0]=3 861 B9R1.125 CC1(CCC(=O)N1)CO Z1258978054 [0,1,0,1,0,0|1,0,0]=3 862 B9R1.125 CC1(CNC(=O)O1)CN Z5851683025 [0,1,0,1,0,0|1,0,0]=3 863 B9R1.125 CC1(COC(=O)C1)CN Z4869170774 [0,1,0,1,0,0|2,0,0]=4 864 B9R1.125 CC1(COC(=O)N1)CO Z1255419299 [0,1,0,1,0,0|2,0,0]=4 865 B9R1.125 CC1CCC(C1)(N)CO Z4381130473 [0,1,0,1,0,0|1,0,1]=4 866 B9R1.125 CCC1(CNC(=O)C1)C Z1203748294 [0,1,0,1,0,0|2,0,0]=4 867 B9R1.127 CCC1(CC1C(=O)O)C Z979743330 [0,1,0,1,0,0|0,0,0]=2 868 B9R1.133 CC1(CCC(C1)C=O)C Z1416223919 [0,1,0,1,0,0|1,0,1]=4 869 B9R1.133 CC1(CCC(N1)CO)C Z4358475031 [0,1,0,1,0,0|1,0,1]=4 870 B9R1.133 CC1(OC[C@@H](O1)C=O)C Z446488674 [0,1,0,1,0,0|1,0,1]=4 871 B9R1.133 CNC1CCS(=N)(=O)C1 Z2941510797 [0,1,0,1,0,0|2,0,0]=4 872 B9R1.133 CNC1CCS(=O)(=O)C1 Z56973474 [0,1,0,1,0,0|1,0,1]=4 873 B9R1.133 NCC1CCS(=O)(=O)C1 Z324552950 [0,1,0,1,0,0|1,0,1]=4 874 B9R1.133 O=S1(=O)CCC(C1)CO Z57161971 [0,1,0,1,0,0|1,0,1]=4 875 B9R1.138 CC1(CCC(C1=O)Cl)C Z1350877025 [0,1,0,1,0,0|1,0,1]=4 876 B9R1.138 CC1(CNC(=O)C1N)C Z1203653557 [0,1,0,1,0,0|2,0,0]=4 877 B9R1.138 CC1(CNC(=O)C1O)C Z1203733112 [0,1,0,1,0,0|1,0,0]=3 878 B9R1.138 CC1(COC(=O)C1N)C Z2092370679 [0,1,0,1,0,0|2,0,0]=4 879 B9R1.138 CC1(COC(=O)[C@@H]1O)C Z1065885480 [0,1,0,1,0,0|1,0,0]=3 880 B9R1.147 CC1(CC1)C#CC(=O)O Z2079608413 [0,1,0,1,0,0|0,0,2]=4 881 B9R1.147 NC1(CC1)C#CC(=O)O Z4183251961 [0,1,0,1,0,0|0,0,2]=4 882 B9R1.185 CC1(CC1C(=O)CCl)C Z1889939223 [0,1,0,1,0,0|1,0,0]=3 883 B9R1.185 CCC(=O)C1CC1(C)C Z1198323211 [0,1,0,1,0,0|1,0,0]=3 884 B9R1.36 CC1CC(NC1=O)(C)C Z1263714376 [0,1,0,1,0,0|1,0,0]=3 885 B9R1.36 C[C@@H]1CS(=O)(=O)C[C@H]1N Z2096659040 [0,1,0,1,0,0|1,0,1]=4 886 B9R1.38 C=C1OC(=O)OC1(C)C Z1201620090 [0,1,0,1,0,0|1,0,1]=4 887 B9R1.38 CC1(NC(=O)CC1=O)C Z1258978079 [0,1,0,1,0,0|1,0,1]=4 888 B9R1.38 CC1(OC(=O)NC1=O)C Z1255378932 [0,1,0,1,0,0|1,0,1]=4 889 B9R1.38 CC1CC(=O)NC1(C)C Z1258978106 [0,1,0,1,0,0|1,0,0]=3 890 B9R1.112 NC(CC1CC1)C(=O)O Z431958560 [0,1,0,1,0,0|0,0,0]=2 891 B9R1.112 O=C(O)C(=O)NC1CC1 Z424779034 [0,1,0,1,0,0|1,0,1]=4 892 B9R1.112 O=C(O)C(F)CC1CC1 Z1443587524 [0,1,0,1,0,0|0,0,0]=2 893 B9R1.137 C/C(=C\C(=O)O)/C1CC1 Z352747102 [0,1,0,1,0,0|0,0,2]=4 894 B9R1.137 CC(CC(=O)O)C1CC1 Z352782228 [0,1,0,1,0,0|0,0,0]=2 895 B9R1.137 CC(NC(=O)N)C1CC1 Z56756484 [0,1,0,1,0,0|2,0,0]=4 896 B9R1.137 CN(CC(=O)O)C1CC1 Z409100214 [0,1,0,1,0,0|1,0,0]=3 897 B9R1.137 NC(=O)CC(N)C1CC1 Z1259339889 [0,1,0,1,0,0|1,0,0]=3 898 B9R1.137 NC(CC(=O)O)C1CC1 Z975824848 [0,1,0,1,0,0|0,0,0]=2 899 B9R1.137 N[C@@H](C[N+](=O)[O-])C1CC1 Z4493852419 [0,1,0,1,0,0|1,0,1]=4 900 B9R1.137 O=C([O-])CC(O)C1CC1 Z3048907687 [0,1,0,1,0,0|0,0,1]=3 901 B9R1.139 CC1C(C1(F)F)C(=O)O Z1238543518 [0,1,0,1,0,0|2,0,0]=4 902 B9R1.152 C=C1CC(C1)(N)C(=O)O Z4456650800 [0,1,0,1,0,0|0,0,2]=4 903 B9R1.152 CC1(CC(C1)F)C(=O)O Z3211847948 [0,1,0,1,0,0|1,0,0]=3 904 B9R1.152 CC1CC(C1)(N)C(=O)O Z2856166804 [0,1,0,1,0,0|0,0,0]=2 905 B9R1.152 NC1(CC(=O)C1)C(=O)O Z4578587092 [0,1,0,1,0,0|1,0,1]=4 906 B9R1.152 NC1(CC(C1)F)C(=O)O Z2724339187 [0,1,0,1,0,0|1,0,0]=3 907 B9R1.152 NC1(CC(C1)O)C(=O)O Z1255398009 [0,1,0,1,0,0|1,0,0]=3 908 B9R1.152 NC1CC(C1)(O)C(=O)O Z4445501853 [0,1,0,1,0,0|1,0,0]=3 909 B9R1.164 CC1(CC(C1)C(=O)O)C Z1198158394 [0,1,0,1,0,0|0,0,0]=2 910 B9R1.164 CC1(CC(C1)C(=O)O)O Z1205497177 [0,1,0,1,0,0|0,0,0]=2 911 B9R1.164 O=C(O)C1CC(C1)(F)F Z316121458 [0,1,0,1,0,0|1,0,0]=3 912 B9R1.169 CC1(CC1(F)F)C(=O)O Z1201624185 [0,1,0,1,0,0|2,0,0]=4 913 B9R1.169 CC1(CC1(N)C(=O)O)C Z3674952394 [0,1,0,1,0,0|0,0,0]=2 914 B9R1.47 CC1CC1CS(=O)(=O)F Z3016191324 [0,1,0,1,0,0|1,0,1]=4 915 B9R1.146 CC1(CCS(=O)(=O)C1)N Z56988311 [0,1,0,1,0,0|1,0,1]=4 916 B9R1.146 CC1(CCS(=O)(=O)C1)O Z1095383021 [0,1,0,1,0,0|1,0,1]=4 917 B9R2.21 O=C1CC2CC2CN1 Z2941655402 [0,0,0,2,0,0|1,0,0]=3 918 B9R2.40 CC12CCC(=O)C1O2 Z1513595022 [0,0,0,2,0,0|2,0,0]=4 919 B9R2.145 O=C(O)C12CC(C1)C2 Z1205493798 [0,0,0,2,0,0|0,0,0]=2 920 B9R2.69 C1CC1CCC2CO2 Z2238725689 [0,0,0,2,0,0|1,0,1]=4 921 B9R2.139 O=C1CC2(CC2)CN1 Z1837069711 [0,0,0,2,0,0|2,0,0]=4 922 B5R0.5 CC(=O)C(=O)O Z104495240 [0,0,0,0,2,0|1,0,1]=4 923 B5R0.5 CC(=O)C(C)N Z1263529525 [0,0,0,0,2,0|2,0,0]=4 924 B5R0.5 CC(Br)C(=O)O Z57127555 [0,0,0,0,2,0|1,0,0]=3 925 B5R0.5 CC(C)C(=N)N Z381357616 [0,0,0,0,2,0|2,0,0]=4 926 B5R0.5 CC(C)C(=O)N Z57046209 [0,0,0,0,2,0|1,0,0]=3 927 B5R0.5 CC(C)C(=O)O Z104473380 [0,0,0,0,2,0|0,0,0]=2 928 B5R0.5 CC(C)[N+](=O)[O-] Z104474978 [0,0,0,0,2,0|1,0,1]=4 929 B5R0.5 CC(Cl)C(=O)N Z56924427 [0,0,0,0,2,0|2,0,0]=4 930 B5R0.5 CC(Cl)C(=O)O Z147646840 [0,0,0,0,2,0|1,0,0]=3 931 B5R0.5 CC(N)C(=O)N Z54749436 [0,0,0,0,2,0|2,0,0]=4 932 B5R0.5 CC(N)C(=O)O Z57396987 [0,0,0,0,2,0|1,0,0]=3 933 B5R0.5 CC(O)C(=O)N Z57206008 [0,0,0,0,2,0|2,0,0]=4 934 B5R0.5 CC(S)C(=O)O Z104477082 [0,0,0,0,2,0|1,0,0]=3 935 B5R0.5 C[C@@H](N)C(=O)O Z802692914 [0,0,0,0,2,0|1,0,0]=3 936 B5R0.5 C[C@H](N)C(=O)N Z359371050 [0,0,0,0,2,0|2,0,0]=4 937 B5R0.5 C[C@H](N)C(=O)O Z756424912 [0,0,0,0,2,0|1,0,0]=3 938 B5R0.5 O=C(O)C(Cl)Cl Z104476414 [0,0,0,0,2,0|2,0,0]=4 939 B5R0.5 O=C(O)C(F)F Z104474070 [0,0,0,0,2,0|2,0,0]=4 940 B9R0.55 CC(=NOCCC(=O)O)C Z1205494264 [0,0,0,0,0,2|0,0,1]=3 941 B9R0.55 CC(C)CCCCC(=O)O Z1198148498 [0,0,0,0,0,2|0,0,0]=2 942 B9R0.55 CC(C)CCOCC(=O)O Z316259082 [0,0,0,0,0,2|0,0,0]=2 943 B9R0.55 CC(C)CCSCC(=O)O Z228589154 [0,0,0,0,0,2|0,0,0]=2 944 B9R0.55 CC(C)CNCCC(=O)O Z594038396 [0,0,0,0,0,2|0,0,0]=2 945 B9R0.55 CC(C)COCCC(=O)O Z316259216 [0,0,0,0,0,2|0,0,0]=2 946 B9R0.55 CC(C)CSCCC(=O)O Z54708723 [0,0,0,0,0,2|0,0,0]=2 947 B9R0.55 CC(C)NCCCC(=O)O Z235348217 [0,0,0,0,0,2|0,0,0]=2 948 B9R0.55 CC(C)OCCCC(=O)O Z316259254 [0,0,0,0,0,2|0,0,0]=2 949 B9R0.55 CC(N)CCCCC(=O)O Z1276446933 [0,0,0,0,0,2|1,0,0]=3 950 B9R0.55 CN(C)CCCCC(=O)O Z1259273153 [0,0,0,0,0,2|1,0,0]=3 951 B9R0.55 CN(C)CCCNC(=O)N Z935140758 [0,0,0,0,0,2|2,0,0]=4 952 B9R0.55 O=C(O)CCOCC(F)F Z1375308185 [0,0,0,0,0,2|2,0,0]=4