0 B7R0.1 CCCCCCCO Z104473596 [0,0,0,0,0,0|0,0,4]=4 1 B7R0.1 CCCCCCNC Z5419328797 [0,0,0,0,0,0|2,0,2]=4 2 B7R0.1 CCCOCCCO Z1080358966 [0,0,0,0,0,0|1,0,3]=4 3 B7R0.1 CCOCCCC#N Z295205414 [0,0,0,0,0,0|2,0,2]=4 4 B7R0.1 CCOCCCCO Z993012560 [0,0,0,0,0,0|1,0,3]=4 5 B7R0.1 CCSCCCC#N Z332378682 [0,0,0,0,0,0|2,0,2]=4 6 B6R0.6 C=C/C=C/CCN Z2786180930 [1,0,0,0,0,0|1,0,2]=4 7 B6R0.6 C=CCCCCN Z1198160046 [1,0,0,0,0,0|2,0,1]=4 8 B6R0.6 CCC#CCCN Z1203585246 [1,0,0,0,0,0|1,0,2]=4 9 B6R0.6 CCCCCCO Z104473568 [1,0,0,0,0,0|0,0,3]=4 10 B6R0.6 CCCOCCN Z4449042604 [1,0,0,0,0,0|2,0,1]=4 11 B6R0.6 CCNCCCF Z1203824341 [1,0,0,0,0,0|2,0,1]=4 12 B6R0.6 CCNCCCO Z138139914 [1,0,0,0,0,0|1,0,2]=4 13 B6R0.6 CCNCCSC Z2412193591 [1,0,0,0,0,0|3,0,0]=4 14 B6R0.6 CCOCCCO Z1080358490 [1,0,0,0,0,0|1,0,2]=4 15 B6R0.6 O=CCCCC=O Z57127529 [1,0,0,0,0,0|1,0,1]=3 16 B8R0.1 C=CCCC(=O)CCC Z406377524 [0,1,0,0,0,0|1,0,1]=3 17 B8R0.1 CCOC(=O)CCNC Z2240989662 [0,1,0,0,0,0|3,0,0]=4 18 B8R0.4 C=CCCCCCCN Z1198263320 [0,1,0,0,0,0|1,0,2]=4 19 B8R0.7 CC#CCCCC(=O)O Z1205494323 [0,1,0,0,0,0|0,0,3]=4 20 B8R0.7 CCCCCCC(=N)N Z4088236340 [0,1,0,0,0,0|1,0,2]=4 21 B8R0.7 CCCCCCC(=O)O Z104474412 [0,1,0,0,0,0|0,0,2]=3 22 B8R0.7 CCCCNCC(=O)N Z398513412 [0,1,0,0,0,0|1,0,2]=4 23 B8R0.7 CCCCOCC(=O)O Z409190912 [0,1,0,0,0,0|1,0,2]=4 24 B8R0.7 CCCCSCC(=O)O Z239951532 [0,1,0,0,0,0|1,0,2]=4 25 B8R0.7 CCCNCCC(=O)O Z2944330072 [0,1,0,0,0,0|1,0,1]=3 26 B8R0.7 CCNCCCC(=O)O Z2937339976 [0,1,0,0,0,0|1,0,1]=3 27 B8R0.7 CCNCCNC(=O)C Z123868526 [0,1,0,0,0,0|2,0,1]=4 28 B8R0.7 CCOCCCC(=O)O Z316258950 [0,1,0,0,0,0|1,0,1]=3 29 B8R0.7 CCOCCNC(=O)N Z432417116 [0,1,0,0,0,0|2,0,1]=4 30 B8R0.7 CCSCCCC(=N)N Z1861964086 [0,1,0,0,0,0|2,0,1]=4 31 B8R0.7 CNCCCCC(=O)O Z3034937142 [0,1,0,0,0,0|1,0,2]=4 32 B8R0.7 COCCCCC(=O)O Z362633826 [0,1,0,0,0,0|1,0,2]=4 33 B8R0.7 CSCCCCC(=O)O Z732206636 [0,1,0,0,0,0|1,0,2]=4 34 B8R0.7 NCCCCCC(=O)O Z1272730910 [0,1,0,0,0,0|1,0,2]=4 35 B8R0.7 NCCOCCC(=O)O Z1262546494 [0,1,0,0,0,0|2,0,1]=4 36 B8R0.7 O=C(O)CCCCCBr Z104477716 [0,1,0,0,0,0|1,0,2]=4 37 B8R0.7 O=C(O)CCCCCF Z1205494157 [0,1,0,0,0,0|1,0,2]=4 38 B8R0.7 O=C(O)CCNCCO Z53116574 [0,1,0,0,0,0|2,0,1]=4 39 B8R1.2 C=CC1CCCNC1 Z2740400893 [0,0,0,1,0,0|2,0,1]=4 40 B8R1.2 C=CC1CCNCC1 Z1266933822 [0,0,0,1,0,0|2,0,1]=4 41 B8R1.2 CCC1=CC=CC=C1 Z104473632 [0,0,0,1,0,0|1,0,2]=4 42 B8R1.2 CCC1=CC=NC=C1 Z1251171246 [0,0,0,1,0,0|2,0,1]=4 43 B8R1.2 CCC1=CN=CC=C1 Z104476778 [0,0,0,1,0,0|2,0,1]=4 44 B8R1.2 CCC1=NC=CC=C1 Z113558650 [0,0,0,1,0,0|1,0,2]=4 45 B8R1.2 CCC1=NC=NC=C1 Z1198725956 [0,0,0,1,0,0|2,0,1]=4 46 B8R1.2 COC1CCC=CO1 Z995169098 [0,0,0,1,0,0|3,0,0]=4 47 B8R1.2 NCC1=CCCCC1 Z2230911155 [0,0,0,1,0,0|2,0,1]=4 48 B8R1.2 NCC1=CCCOC1 Z2096659348 [0,0,0,1,0,0|3,0,0]=4 49 B8R1.2 O=CC1CC=CCC1 Z57936862 [0,0,0,1,0,0|0,0,0]=1 50 B8R1.2 O=CC1CCC=CO1 Z600389890 [0,0,0,1,0,0|1,0,0]=2 51 B8R1.2 O=CC1CCCCC1 Z104478974 [0,0,0,1,0,0|0,0,2]=3 52 B8R1.2 O=CC1CCCCO1 Z1079442734 [0,0,0,1,0,0|1,0,2]=4 53 B8R1.2 O=CC1CCCOC1 Z1065877672 [0,0,0,1,0,0|1,0,1]=3 54 B8R1.2 O=CC1CCCSC1 Z1255489365 [0,0,0,1,0,0|1,0,1]=3 55 B8R1.2 O=CC1CCOCC1 Z979759508 [0,0,0,1,0,0|1,0,1]=3 56 B8R1.2 O=CC1CCSCC1 Z1201622265 [0,0,0,1,0,0|1,0,1]=3 57 B8R1.2 O=CN1CCCCC1 Z1255415437 [0,0,0,1,0,0|1,0,2]=4 58 B8R1.2 O=CN1CCNCC1 Z104479110 [0,0,0,1,0,0|2,0,1]=4 59 B8R1.2 O=CN1CCOCC1 Z295197308 [0,0,0,1,0,0|2,0,1]=4 60 B8R1.2 OCC1CC=CCC1 Z104476102 [0,0,0,1,0,0|0,0,2]=3 61 B8R1.5 CC1=CC=CNC1=O Z1013766914 [0,0,0,1,0,0|1,0,2]=4 62 B8R1.5 CC1=CC=NNC1=O Z3227035121 [0,0,0,1,0,0|2,0,1]=4 63 B8R1.5 CC1CCCCC1=O Z104477192 [0,0,0,1,0,0|0,0,2]=3 64 B8R1.5 CC1CCCNC1=O Z1013766916 [0,0,0,1,0,0|1,0,2]=4 65 B8R1.5 CC1CNCCC1=O Z1741969235 [0,0,0,1,0,0|1,0,1]=3 66 B8R1.5 CC1COCCC1=O Z1192338803 [0,0,0,1,0,0|1,0,1]=3 67 B8R1.5 CC1NCCNC1=O Z336079670 [0,0,0,1,0,0|2,0,1]=4 68 B8R1.5 CC1SCCCC1=O Z1359849054 [0,0,0,1,0,0|1,0,1]=3 69 B8R1.5 CC1SCCNC1=O Z1098219156 [0,0,0,1,0,0|2,0,1]=4 70 B8R1.5 CN1C=CC=NC1=O Z1198218328 [0,0,0,1,0,0|2,0,1]=4 71 B8R1.5 NC1CCCCC1=O Z2186882796 [0,0,0,1,0,0|1,0,2]=4 72 B8R1.5 O=C1CCCCC1Cl Z94598693 [0,0,0,1,0,0|1,0,2]=4 73 B8R1.5 O=C1COC=CC1=S Z1513610972 [0,0,0,1,0,0|2,0,1]=4 74 B8R1.8 CC/C=C\1/CCNC1 Z1353044913 [0,0,0,1,0,0|2,0,0]=3 75 B8R1.8 COCC1C=CCN1 Z4442497224 [0,0,0,1,0,0|3,0,0]=4 76 B8R1.8 O=CCC1=CC=CO1 Z1179944709 [0,0,0,1,0,0|1,0,2]=4 77 B8R1.8 O=CCC1=CC=CS1 Z993017816 [0,0,0,1,0,0|1,0,2]=4 78 B8R1.8 O=CCC1=CSC=C1 Z1079442684 [0,0,0,1,0,0|1,0,2]=4 79 B8R1.8 O=CCC1CCCC1 Z993017732 [0,0,0,1,0,0|0,0,2]=3 80 B8R1.8 O=CCC1CCCO1 Z1183458964 [0,0,0,1,0,0|1,0,1]=3 81 B8R1.8 O=CCC1CCOC1 Z1138844345 [0,0,0,1,0,0|1,0,1]=3 82 B8R1.9 C[C@@H]1C[C@@H]1CCC=O Z4130582680 [0,0,0,1,0,0|0,0,2]=3 83 B8R1.10 O=CCCC1CCC1 Z1717769279 [0,0,0,1,0,0|0,0,2]=3 84 B8R1.10 O=CCCC1CCO1 Z2327124310 [0,0,0,1,0,0|1,0,1]=3 85 B8R1.11 CC1=C(OC=C1)C=O Z1079442566 [0,0,0,1,0,0|1,0,2]=4 86 B8R1.11 CC1=C(SC=C1)C=O Z104477012 [0,0,0,1,0,0|1,0,2]=4 87 B8R1.11 CC1CCCC1C=O Z1268606470 [0,0,0,1,0,0|0,0,2]=3 88 B8R1.11 CC1OCCC1C=O Z1342837783 [0,0,0,1,0,0|1,0,1]=3 89 B8R1.11 CCC1=CNN=C1N Z1741979116 [0,0,0,1,0,0|3,0,0]=4 90 B8R1.11 CCC1=CSC=C1N Z4935394961 [0,0,0,1,0,0|2,0,1]=4 91 B8R1.11 CCC1CCCC1=O Z813018310 [0,0,0,1,0,0|0,0,2]=3 92 B8R1.11 CCC1CCNC1=O Z1203732458 [0,0,0,1,0,0|1,0,2]=4 93 B8R1.11 CCN1C=CNC1=O Z1198329853 [0,0,0,1,0,0|2,0,1]=4 94 B8R1.11 CCN1CCCC1=O Z1255438420 [0,0,0,1,0,0|1,0,1]=3 95 B8R1.11 CCN1CCNC1=O Z1179328150 [0,0,0,1,0,0|2,0,1]=4 96 B8R1.11 CCN1N=CCC1=O Z3477438900 [0,0,0,1,0,0|2,0,1]=4 97 B8R1.11 CN1C=CC=C1C=O Z104485562 [0,0,0,1,0,0|1,0,2]=4 98 B8R1.11 CN1C=CN=C1C=O Z363989438 [0,0,0,1,0,0|2,0,1]=4 99 B8R1.11 O=C1CCCN1CO Z56755633 [0,0,0,1,0,0|2,0,1]=4 100 B8R1.13 O=C1CCN1CCO Z1897885187 [0,0,0,1,0,0|2,0,1]=4 101 B8R1.22 NC1CCC=CCC1 Z2824346881 [0,0,0,1,0,0|1,0,1]=3 102 B8R1.22 O=C1CCCCCC1 Z104473100 [0,0,0,1,0,0|0,0,2]=3 103 B8R1.22 O=C1CCNCCN1 Z119989554 [0,0,0,1,0,0|2,0,1]=4 104 B8R1.22 O=C1CCOCCN1 Z821098578 [0,0,0,1,0,0|2,0,1]=4 105 B8R1.22 O=C1CCSCCN1 Z1198315286 [0,0,0,1,0,0|2,0,1]=4 106 B8R1.36 O=CCCCC1CC1 Z1511869605 [0,0,0,1,0,0|0,0,2]=3 107 B5R0.2 C/C=C/CCN Z1268152372 [2,0,0,0,0,0|1,0,0]=3 108 B5R0.2 C/C=C/OCC Z281777810 [2,0,0,0,0,0|1,0,1]=4 109 B5R0.2 C=C/C=C/CN Z3270208113 [2,0,0,0,0,0|1,0,1]=4 110 B5R0.2 C=CCCC#N Z1219746591 [2,0,0,0,0,0|1,0,1]=4 111 B5R0.2 C=CCCCN Z993058434 [2,0,0,0,0,0|1,0,1]=4 112 B5R0.2 C=CCNCC Z2044769224 [2,0,0,0,0,0|1,0,1]=4 113 B5R0.2 CCCCC=O Z104472992 [2,0,0,0,0,0|0,0,0]=2 114 B5R0.2 CCCCCN Z104472246 [2,0,0,0,0,0|1,0,1]=4 115 B5R0.2 CCCNCC Z138446288 [2,0,0,0,0,0|1,0,1]=4 116 B5R0.2 CCNCCF Z1198305484 [2,0,0,0,0,0|2,0,0]=4 117 B5R0.2 CCNCCO Z1258992395 [2,0,0,0,0,0|1,0,1]=4 118 B5R0.2 CCNOCC Z223690220 [2,0,0,0,0,0|2,0,0]=4 119 B5R0.2 CCOCCN Z271005962 [2,0,0,0,0,0|2,0,0]=4 120 B5R0.2 CCOCCO Z104473122 [2,0,0,0,0,0|1,0,1]=4 121 B5R0.2 CCSCCN Z3061111063 [2,0,0,0,0,0|2,0,0]=4 122 B5R0.2 NC/C=C/CN Z2235386837 [2,0,0,0,0,0|2,0,0]=4 123 B5R0.2 OC/C=C/CO Z237581088 [2,0,0,0,0,0|1,0,1]=4 124 B7R0.3 C/C=C/CC(N)CO Z1718361642 [1,1,0,0,0,0|0,0,2]=4 125 B7R0.3 CCC(=O)NCCN Z1455674775 [1,1,0,0,0,0|2,0,0]=4 126 B7R0.3 CCCCC(=O)CC Z406378226 [1,1,0,0,0,0|0,0,2]=4 127 B7R0.3 CCCNC(=O)CC Z33030426 [1,1,0,0,0,0|1,0,1]=4 128 B7R0.4 C/C=C/C=C/C(=O)O Z57127888 [1,1,0,0,0,0|0,0,2]=4 129 B7R0.4 C=CCCCC(=O)O Z1205493561 [1,1,0,0,0,0|0,0,2]=4 130 B7R0.4 CC#CCCC(=O)O Z1205493674 [1,1,0,0,0,0|0,0,2]=4 131 B7R0.4 CC(C)C/C=C/CO Z1813145997 [1,1,0,0,0,0|1,0,1]=4 132 B7R0.4 CCC/C=C/C(=O)O Z104506794 [1,1,0,0,0,0|0,0,2]=4 133 B7R0.4 CCCCCC(=N)N Z3490473907 [1,1,0,0,0,0|1,0,1]=4 134 B7R0.4 CCCCCC(=O)O Z104503532 [1,1,0,0,0,0|0,0,1]=3 135 B7R0.4 CCCCOC(=O)N Z104476286 [1,1,0,0,0,0|1,0,1]=4 136 B7R0.4 CCCNCC(=O)N Z2211231296 [1,1,0,0,0,0|1,0,1]=4 137 B7R0.4 CCCNCC(=O)O Z744582718 [1,1,0,0,0,0|1,0,1]=4 138 B7R0.4 CCCOCC(=O)O Z406677750 [1,1,0,0,0,0|1,0,1]=4 139 B7R0.4 CCCSCC(=O)C Z447929234 [1,1,0,0,0,0|1,0,1]=4 140 B7R0.4 CCCSCC(=O)O Z228425458 [1,1,0,0,0,0|1,0,1]=4 141 B7R0.4 CCNCCC(=O)N Z2681234913 [1,1,0,0,0,0|1,0,0]=3 142 B7R0.4 CCNCCC(=O)O Z1869802098 [1,1,0,0,0,0|1,0,0]=3 143 B7R0.4 CCOCCC(=O)O Z316258938 [1,1,0,0,0,0|1,0,0]=3 144 B7R0.4 CCSCCC(=O)O Z197206046 [1,1,0,0,0,0|1,0,0]=3 145 B7R0.4 CNCCCC(=O)O Z57043473 [1,1,0,0,0,0|1,0,1]=4 146 B7R0.4 COCCCC(=O)C Z406376722 [1,1,0,0,0,0|1,0,1]=4 147 B7R0.4 COCCCC(=O)O Z316258912 [1,1,0,0,0,0|1,0,1]=4 148 B7R0.4 CSCCCC(=O)O Z54602911 [1,1,0,0,0,0|1,0,1]=4 149 B7R0.4 NCCCCC(=O)N Z1639630947 [1,1,0,0,0,0|1,0,1]=4 150 B7R0.4 NCCCCC(=O)O Z271111992 [1,1,0,0,0,0|1,0,1]=4 151 B7R0.4 O=C(O)CCCCBr Z104479696 [1,1,0,0,0,0|1,0,1]=4 152 B7R0.4 O=C(O)CCCCS Z808230828 [1,1,0,0,0,0|1,0,1]=4 153 B7R0.4 O=C([O-])CCCCO Z2335631573 [1,1,0,0,0,0|1,0,1]=4 154 B7R0.7 CCNC(=O)CCCl Z239813542 [1,1,0,0,0,0|2,0,0]=4 155 B7R0.7 CCNC(=O)CCN Z1449756826 [1,1,0,0,0,0|2,0,0]=4 156 B7R0.7 CCNC(=O)CCO Z975909368 [1,1,0,0,0,0|1,0,1]=4 157 B9R0.5 C=CCOCC(=O)OCC Z362807784 [0,2,0,0,0,0|2,0,0]=4 158 B9R0.34 CCOC(=O)CN(C)C=O Z1258522254 [0,2,0,0,0,0|2,0,0]=4 159 B9R0.48 CCCC(=O)NCC(=O)O Z285193236 [0,2,0,0,0,0|1,0,1]=4 160 B9R0.48 CCCN(C)CCC(=O)O Z1259273124 [0,2,0,0,0,0|1,0,1]=4 161 B9R0.48 CCNC(=O)CCC(=O)O Z90312637 [0,2,0,0,0,0|1,0,0]=3 162 B9R0.48 CCOC(=O)CCC(=O)O Z56896764 [0,2,0,0,0,0|1,0,0]=3 163 B9R0.48 CCOC(=O)CNC(=O)C Z54529208 [0,2,0,0,0,0|2,0,0]=4 164 B9R0.48 CCOC(=O)NCC(=O)O Z64434253 [0,2,0,0,0,0|2,0,0]=4 165 B9R0.2 CCCCCCCC(=O)O Z104495238 [0,2,0,0,0,0|0,0,2]=4 166 B9R0.2 CCCCCNCC(=O)N Z104536260 [0,2,0,0,0,0|0,0,2]=4 167 B9R0.2 CCCCCOCC(=O)O Z409357548 [0,2,0,0,0,0|0,0,2]=4 168 B9R0.2 CCCCSCCC(=O)O Z149304844 [0,2,0,0,0,0|0,0,2]=4 169 B9R0.2 CCNCCCCC(=O)O Z2893830564 [0,2,0,0,0,0|0,0,2]=4 170 B9R0.2 CCOCCCNC(=O)N Z56985786 [0,2,0,0,0,0|1,0,1]=4 171 B9R0.2 CCOCCOCC(=O)O Z316258972 [0,2,0,0,0,0|1,0,1]=4 172 B9R0.2 COCCNCCC(=O)O Z53116030 [0,2,0,0,0,0|1,0,1]=4 173 B9R0.2 COCCOCCC(=O)O Z316259200 [0,2,0,0,0,0|1,0,1]=4 174 B9R0.2 NCCCCCCC(=O)O Z56896351 [0,2,0,0,0,0|0,0,2]=4 175 B9R0.2 NCCOCCCC(=O)O Z5080450038 [0,2,0,0,0,0|1,0,1]=4 176 B9R0.2 O=C(O)CCNCCCO Z53116999 [0,2,0,0,0,0|1,0,1]=4 177 B9R0.45 CCCCCCCNC=O Z1203732044 [0,2,0,0,0,0|0,0,2]=4 178 B9R0.1 CCC(=O)NCCC(=O)O Z85914366 [0,2,0,0,0,0|1,0,0]=3 179 B9R0.1 CNC(=O)CCCC(=O)[O-] Z1625822283 [0,2,0,0,0,0|1,0,1]=4 180 B9R0.1 COC(=O)CCCC(=O)O Z203045008 [0,2,0,0,0,0|1,0,1]=4 181 B9R0.1 COC(=O)NCCC(=O)O Z192954732 [0,2,0,0,0,0|2,0,0]=4 182 B9R0.1 O=C(O)CCNC(=O)CO Z1203746027 [0,2,0,0,0,0|2,0,0]=4 183 B9R0.47 CCC/C=C/C(O)C(=O)O Z2681277218 [0,2,0,0,0,0|0,0,2]=4 184 B9R0.47 CCCCCC(O)C(=O)O Z788000584 [0,2,0,0,0,0|0,0,2]=4 185 B9R0.47 CCCSCC(N)C(=O)O Z444349874 [0,2,0,0,0,0|1,0,1]=4 186 B9R0.55 CC(C)CCCCC(=O)O Z1198148498 [0,2,0,0,0,0|0,0,2]=4 187 B9R0.55 CC(C)CNCCC(=O)O Z594038396 [0,2,0,0,0,0|1,0,1]=4 188 B9R0.55 CC(C)COCCC(=O)O Z316259216 [0,2,0,0,0,0|1,0,1]=4 189 B9R0.55 CC(C)CSCCC(=O)O Z54708723 [0,2,0,0,0,0|1,0,1]=4 190 B9R0.55 CC(C)NCCCC(=O)O Z235348217 [0,2,0,0,0,0|1,0,1]=4 191 B9R0.55 CC(C)OCCCC(=O)O Z316259254 [0,2,0,0,0,0|1,0,1]=4 192 B9R0.55 CC(N)CCCCC(=O)O Z1276446933 [0,2,0,0,0,0|0,0,2]=4 193 B7R1.1 CCC1=CC=CO1 Z640169748 [1,0,0,1,0,0|0,0,2]=4 194 B7R1.1 CCC1=CNC=N1 Z1203731354 [1,0,0,1,0,0|2,0,0]=4 195 B7R1.1 CCC1=CNN=C1 Z1139192482 [1,0,0,1,0,0|2,0,0]=4 196 B7R1.1 NCC1C=CCC1 Z2768196818 [1,0,0,1,0,0|1,0,0]=3 197 B7R1.1 NCC1CC=CC1 Z2310699469 [1,0,0,1,0,0|1,0,1]=4 198 B7R1.1 O=CC1=CCCC1 Z1190318866 [1,0,0,1,0,0|0,0,2]=4 199 B7R1.1 O=CC1CC=CC1 Z1504676872 [1,0,0,1,0,0|0,0,0]=2 200 B7R1.1 O=CC1CCCC1 Z875036058 [1,0,0,1,0,0|0,0,1]=3 201 B7R1.1 O=CC1CCOC1 Z199056102 [1,0,0,1,0,0|1,0,0]=3 202 B7R1.1 O=CC1CCSC1 Z1201681645 [1,0,0,1,0,0|1,0,0]=3 203 B7R1.1 O=CN1CCCC1 Z1255394997 [1,0,0,1,0,0|1,0,1]=4 204 B7R1.1 OCC1CC=CC1 Z1201622687 [1,0,0,1,0,0|0,0,2]=4 205 B7R1.3 C=C1CCNCC1 Z1124146875 [1,0,0,1,0,0|2,0,0]=4 206 B7R1.3 CC1=CCCNC1 Z2143573194 [1,0,0,1,0,0|2,0,0]=4 207 B7R1.3 NC1C=CCCC1 Z1203579654 [1,0,0,1,0,0|1,0,1]=4 208 B7R1.3 O=C1C=CCCC1 Z295197140 [1,0,0,1,0,0|0,0,2]=4 209 B7R1.3 O=C1CCCCC1 Z104474256 [1,0,0,1,0,0|0,0,1]=3 210 B7R1.3 O=C1CCCCN1 Z168817684 [1,0,0,1,0,0|1,0,1]=4 211 B7R1.3 O=C1CCCCO1 Z432085120 [1,0,0,1,0,0|1,0,1]=4 212 B7R1.3 O=C1CCCCS1 Z1726147018 [1,0,0,1,0,0|1,0,1]=4 213 B7R1.3 O=C1CCCNC1 Z3063726909 [1,0,0,1,0,0|1,0,1]=4 214 B7R1.3 O=C1CCCSC1 Z979714552 [1,0,0,1,0,0|1,0,1]=4 215 B7R1.3 O=C1CCNCC1 Z1741959513 [1,0,0,1,0,0|1,0,0]=3 216 B7R1.3 O=S1CCNCC1 Z1263714072 [1,0,0,1,0,0|2,0,0]=4 217 B7R1.4 CC1CCCC1=O Z813018382 [1,0,0,1,0,0|0,0,1]=3 218 B7R1.4 CC1CCNC1=O Z1198147219 [1,0,0,1,0,0|1,0,1]=4 219 B7R1.4 CC1NCCC1=O Z2733314209 [1,0,0,1,0,0|1,0,0]=3 220 B7R1.4 CN1C=CNC1=O Z1198329852 [1,0,0,1,0,0|2,0,0]=4 221 B7R1.4 CN1C=COC1=O Z2732441923 [1,0,0,1,0,0|2,0,0]=4 222 B7R1.4 CN1CCCC1=O Z104478382 [1,0,0,1,0,0|1,0,1]=4 223 B7R1.4 O=C1CCCC1Cl Z104492966 [1,0,0,1,0,0|1,0,1]=4 224 B7R1.6 O=CCC1CCC1 Z1198184444 [1,0,0,1,0,0|0,0,1]=3 225 B7R1.6 O=CCC1COC1 Z1511884358 [1,0,0,1,0,0|1,0,1]=4 226 B7R1.7 O=C/C=C/C1CC1 Z1318198760 [1,0,0,1,0,0|0,0,2]=4 227 B7R1.7 O=CCCC1CC1 Z1233208002 [1,0,0,1,0,0|0,0,1]=3 228 B7R1.9 CCC1CC1C=O Z1513989944 [1,0,0,1,0,0|0,0,1]=3 229 B7R1.9 CC[C@@H]1C[C@H]1C=O Z3300760890 [1,0,0,1,0,0|0,0,1]=3 230 B7R1.24 C1=CCCNCC1 Z1255363448 [1,0,0,1,0,0|1,0,0]=3 231 B9R1.2 CC1CC(CCO1)C=O Z1268606322 [0,1,0,1,0,0|1,0,1]=4 232 B9R1.2 CC1CCCC(C1)C=O Z1217182161 [0,1,0,1,0,0|0,0,2]=4 233 B9R1.2 CCC1CC(=O)CCO1 Z1192338795 [0,1,0,1,0,0|1,0,1]=4 234 B9R1.2 CCC1CCCC(=O)C1 Z1201627363 [0,1,0,1,0,0|0,0,2]=4 235 B9R1.2 O=CC1CCCC(C1)F Z1813182338 [0,1,0,1,0,0|0,0,2]=4 236 B9R1.7 CC1=CC=C(S1)CC=O Z1250885326 [0,1,0,1,0,0|0,0,2]=4 237 B9R1.8 COCC1C=CCCN1 Z4080639654 [0,1,0,1,0,0|2,0,0]=4 238 B9R1.8 NCCN1CC=CCC1 Z1946684598 [0,1,0,1,0,0|1,0,1]=4 239 B9R1.8 O=CCC1CCCCC1 Z993017728 [0,1,0,1,0,0|0,0,2]=4 240 B9R1.8 O=CCC1CCCCO1 Z1511748073 [0,1,0,1,0,0|0,0,2]=4 241 B9R1.8 O=CCC1CCCOC1 Z1198309923 [0,1,0,1,0,0|0,0,2]=4 242 B9R1.8 O=CCC1CCOCC1 Z1178491139 [0,1,0,1,0,0|0,0,2]=4 243 B9R1.12 O=CCCC1=CON=C1 Z2238235999 [0,1,0,1,0,0|1,0,1]=4 244 B9R1.12 O=CCCC1=CSC=C1 Z993017658 [0,1,0,1,0,0|0,0,2]=4 245 B9R1.12 O=CCCC1=NNC=N1 Z3271398040 [0,1,0,1,0,0|2,0,0]=4 246 B9R1.12 O=CCCC1CCCC1 Z993017672 [0,1,0,1,0,0|0,0,2]=4 247 B9R1.12 O=CCCC1CCCO1 Z993017666 [0,1,0,1,0,0|0,0,2]=4 248 B9R1.12 O=CCCC1CCOC1 Z1198305626 [0,1,0,1,0,0|0,0,2]=4 249 B9R1.12 O=CCCC1OCCO1 Z1198155855 [0,1,0,1,0,0|1,0,1]=4 250 B9R1.15 CC1CC=CCC1C=O Z1201621350 [0,1,0,1,0,0|0,0,0]=2 251 B9R1.15 CC1CC=CCC1CO Z104479344 [0,1,0,1,0,0|0,0,2]=4 252 B9R1.15 CC1CCCCC1C=O Z1268606365 [0,1,0,1,0,0|0,0,2]=4 253 B9R1.15 CCC1=NC=CNC1=O Z3274889193 [0,1,0,1,0,0|1,0,1]=4 254 B9R1.15 CCC1CCCNC1=O Z1203731521 [0,1,0,1,0,0|0,0,2]=4 255 B9R1.15 CCC1NCCNC1=O Z57663834 [0,1,0,1,0,0|1,0,1]=4 256 B9R1.15 CCN1CCCNC1=O Z1203733831 [0,1,0,1,0,0|1,0,1]=4 257 B9R1.15 CCN1CCNCC1=O Z975809904 [0,1,0,1,0,0|1,0,1]=4 258 B9R1.15 CSC1CCCCC1=O Z732208578 [0,1,0,1,0,0|0,0,2]=4 259 B9R1.15 O=CC1CCCCC1F Z1813140630 [0,1,0,1,0,0|0,0,2]=4 260 B9R1.22 CCN1CC(CC1=O)N Z2235810233 [0,1,0,1,0,0|1,0,1]=4 261 B9R1.27 CCN1C(=O)CNC1=O Z54530685 [0,1,0,1,0,0|2,0,0]=4 262 B9R1.27 O=C1CCC(=O)N1CO Z336080046 [0,1,0,1,0,0|2,0,0]=4 263 B9R1.33 CC1=C(SC=C1)CC=O Z1250885386 [0,1,0,1,0,0|0,0,2]=4 264 B9R1.33 CCNC1CCNC1=O Z1998636522 [0,1,0,1,0,0|1,0,1]=4 265 B9R1.33 O=C1CCCC1CCF Z1416228589 [0,1,0,1,0,0|0,0,2]=4 266 B9R1.33 O=C1CCCN1CCO Z104478410 [0,1,0,1,0,0|1,0,1]=4 267 B9R1.33 O=CCC1CCOC1=O Z1511761046 [0,1,0,1,0,0|1,0,0]=3 268 B9R1.48 CC1COCCC(=O)N1 Z1203833663 [0,1,0,1,0,0|1,0,1]=4 269 B9R1.49 O=C1CCCC(=O)NC1 Z1255404954 [0,1,0,1,0,0|1,0,1]=4 270 B9R1.50 O=C1CCCCCCC1 Z104474712 [0,1,0,1,0,0|0,0,2]=4 271 B9R1.50 O=C1CCCCNCC1 Z5186715583 [0,1,0,1,0,0|0,0,2]=4 272 B9R1.50 O=C1CCNCCCN1 Z1262578602 [0,1,0,1,0,0|1,0,1]=4 273 B9R1.69 CC1CCC(=O)C(C1)C Z854046072 [0,1,0,1,0,0|0,0,2]=4 274 B9R1.69 CC1CCC(C(=O)C1)C Z1238548176 [0,1,0,1,0,0|0,0,2]=4 275 B9R1.69 CC1CN(CCC1=O)C Z825753356 [0,1,0,1,0,0|1,0,1]=4 276 B9R1.69 CC1NC(=O)COC1=O Z1203734682 [0,1,0,1,0,0|2,0,0]=4 277 B9R1.100 C=CCCC(=O)C1CC1 Z1124751252 [0,1,0,1,0,0|1,0,1]=4 278 B9R1.5 CC1CCCCNC1=O Z1198181151 [0,1,0,1,0,0|0,0,2]=4 279 B9R1.5 CC1NCCCNC1=O Z1203829873 [0,1,0,1,0,0|1,0,1]=4 280 B9R1.5 NC1CCCCCC1=O Z2213893401 [0,1,0,1,0,0|0,0,2]=4 281 B9R1.5 O=C1CCCCCC1Cl Z223607164 [0,1,0,1,0,0|0,0,2]=4 282 B9R1.14 CCC1=C(OC=C1)C=O Z1511886468 [0,1,0,1,0,0|0,0,2]=4 283 B9R1.14 CCC1=C(OC=N1)C=O Z3242852671 [0,1,0,1,0,0|1,0,1]=4 284 B9R1.14 CCC1=C(SC=C1)C=O Z1362759539 [0,1,0,1,0,0|0,0,2]=4 285 B9R1.14 CCC1=CON=C1C=O Z2732444199 [0,1,0,1,0,0|1,0,1]=4 286 B9R1.14 CCN1C=CC=C1C=O Z425487130 [0,1,0,1,0,0|0,0,2]=4 287 B9R1.14 CCN1C=CN=C1C=O Z965810096 [0,1,0,1,0,0|1,0,1]=4 288 B9R1.16 CC1CC1CCCC=O Z3271342479 [0,1,0,1,0,0|0,0,2]=4 289 B9R1.83 O=CCCCCC1CC1 Z3002702510 [0,1,0,1,0,0|0,0,2]=4 290 B9R1.83 O=CCCOCC1CC1 Z1080366652 [0,1,0,1,0,0|0,0,2]=4 291 B9R1.89 NCC1C=CCCCC1 Z3443270742 [0,1,0,1,0,0|1,0,1]=4 292 B9R1.89 NCC1CCC=CCC1 Z2895896095 [0,1,0,1,0,0|1,0,1]=4 293 B9R1.89 O=CC1CCCCCC1 Z1079442748 [0,1,0,1,0,0|0,0,2]=4 294 B9R1.89 O=CC1CCCOCC1 Z1268606450 [0,1,0,1,0,0|0,0,2]=4 295 B9R1.89 O=CC1COCCOC1 Z1813175634 [0,1,0,1,0,0|1,0,1]=4 296 B9R1.89 O=CN1CCCNCC1 Z104510266 [0,1,0,1,0,0|1,0,1]=4 297 B9R1.1 CC1CCC(CC1)C=O Z1250055138 [0,1,0,1,0,0|0,0,2]=4 298 B9R1.1 CN1CCC(CC1)C=O Z372839344 [0,1,0,1,0,0|1,0,1]=4 299 B9R1.1 C[C@H]1CC[C@@H](CC1)C=O Z1511765971 [0,1,0,1,0,0|0,0,2]=4 300 B9R1.1 O=CC1CCC(=O)CC1 Z1198165293 [0,1,0,1,0,0|0,0,1]=3 301 B9R1.1 O=CC1CCC(CC1)F Z1813155376 [0,1,0,1,0,0|0,0,2]=4 302 B9R1.3 CC1CCCC(=O)C1C Z1198319146 [0,1,0,1,0,0|0,0,2]=4 303 B9R1.3 C[C@@H]1NCCC(=O)[C@H]1C Z4513729412 [0,1,0,1,0,0|1,0,1]=4 304 B9R1.11 CC(C=O)C1CCCC1 Z1268606342 [0,1,0,1,0,0|0,0,2]=4 305 B9R1.21 CCC1=CC=C(N1)C=O Z1251356864 [0,1,0,1,0,0|0,0,2]=4 306 B9R1.21 CCC1=CC=C(O1)C=O Z274774406 [0,1,0,1,0,0|0,0,2]=4 307 B9R1.21 CCC1=CC=C(S1)C=O Z385369988 [0,1,0,1,0,0|0,0,2]=4 308 B9R1.21 CCC1=CN=C(O1)C=O Z1198173205 [0,1,0,1,0,0|1,0,1]=4 309 B9R1.21 CCC1=CN=C(S1)C=O Z1037606524 [0,1,0,1,0,0|1,0,1]=4 310 B9R1.21 CCC1=CNC(=N1)C=O Z1255404762 [0,1,0,1,0,0|1,0,1]=4 311 B9R1.88 COC(=O)[C@@H]1C[C@H]1C=O Z3664810584 [0,1,0,1,0,0|1,0,1]=4 312 B9R1.118 CC1(CC=CCC1)CN Z3482082462 [0,1,0,1,0,0|1,0,1]=4 313 B9R1.118 CC1(CC=CCO1)C=O Z4912751070 [0,1,0,1,0,0|1,0,0]=3 314 B9R1.118 CC1(CCCCC1)C=O Z1198343650 [0,1,0,1,0,0|0,0,2]=4 315 B9R1.118 CC1(CCOCC1)C=O Z1255452107 [0,1,0,1,0,0|1,0,1]=4 316 B9R1.118 O=CC1(CCCCC1)Br Z1255439614 [0,1,0,1,0,0|0,0,2]=4 317 B9R1.118 O=CC1(CCCCC1)Cl Z1251357068 [0,1,0,1,0,0|0,0,2]=4 318 B9R1.118 O=CC1(CCOCC1)Cl Z1511915339 [0,1,0,1,0,0|1,0,1]=4 319 B9R1.132 CN1C(=O)CCC1C=O Z1513985273 [0,1,0,1,0,0|1,0,1]=4 320 B9R1.6 CC(=O)C1CCCOC1 Z1259153006 [0,1,0,1,0,0|1,0,1]=4 321 B9R1.6 CC(=O)C1CCNCC1 Z1741977299 [0,1,0,1,0,0|1,0,1]=4 322 B9R1.6 CC(=O)C1CCOCC1 Z1178490124 [0,1,0,1,0,0|1,0,1]=4 323 B9R1.6 NC(=O)C1CC=CCC1 Z145119476 [0,1,0,1,0,0|0,0,0]=2 324 B9R1.6 NC(=O)C1CCCCC1 Z33546516 [0,1,0,1,0,0|0,0,2]=4 325 B9R1.6 NC(=O)C1CCCNC1 Z85932258 [0,1,0,1,0,0|1,0,1]=4 326 B9R1.6 NC(=O)C1CCNCC1 Z1450533743 [0,1,0,1,0,0|1,0,1]=4 327 B9R1.6 NC(=O)C1CCOCC1 Z82670321 [0,1,0,1,0,0|1,0,1]=4 328 B9R1.6 O=C(O)C1C=CCCC1 Z57127330 [0,1,0,1,0,0|0,0,2]=4 329 B9R1.6 O=C(O)C1CC=CCC1 Z57921336 [0,1,0,1,0,0|0,0,0]=2 330 B9R1.6 O=C(O)C1CC=CCN1 Z3839411211 [0,1,0,1,0,0|1,0,0]=3 331 B9R1.6 O=C(O)C1CCCCC1 Z104475698 [0,1,0,1,0,0|0,0,2]=4 332 B9R1.6 O=C(O)C1CCCNC1 Z324553206 [0,1,0,1,0,0|1,0,1]=4 333 B9R1.6 O=C(O)C1CCCOC1 Z445214062 [0,1,0,1,0,0|1,0,1]=4 334 B9R1.6 O=C(O)C1CCCSC1 Z1198485079 [0,1,0,1,0,0|1,0,1]=4 335 B9R1.6 O=C(O)C1CCNC=N1 Z2471799191 [0,1,0,1,0,0|2,0,0]=4 336 B9R1.6 O=C(O)C1CCNCC1 Z104474390 [0,1,0,1,0,0|1,0,1]=4 337 B9R1.6 O=C(O)C1CCOCC1 Z85923421 [0,1,0,1,0,0|1,0,1]=4 338 B9R1.6 O=C(O)C1CCSCC1 Z826531634 [0,1,0,1,0,0|1,0,1]=4 339 B9R1.6 O=C(O)C1CN=CNC1 Z2327883697 [0,1,0,1,0,0|2,0,0]=4 340 B9R1.6 O=C([O-])C1CCC=CO1 Z1592042421 [0,1,0,1,0,0|1,0,0]=3 341 B9R1.13 CC(=O)CC1CCCO1 Z513734588 [0,1,0,1,0,0|1,0,1]=4 342 B9R1.13 CC(=O)CC1CCOC1 Z1321971717 [0,1,0,1,0,0|1,0,1]=4 343 B9R1.13 NC(=O)CC1CCCC1 Z33546662 [0,1,0,1,0,0|0,0,2]=4 344 B9R1.13 NC(=O)CC1CCCN1 Z1459435572 [0,1,0,1,0,0|1,0,1]=4 345 B9R1.13 O=C(O)CC1C=CCC1 Z104507506 [0,1,0,1,0,0|0,0,0]=2 346 B9R1.13 O=C(O)CC1CCCC1 Z104477042 [0,1,0,1,0,0|0,0,2]=4 347 B9R1.13 O=C(O)CC1CCCN1 Z1480642793 [0,1,0,1,0,0|1,0,1]=4 348 B9R1.13 O=C(O)CC1CCNC1 Z1863617764 [0,1,0,1,0,0|1,0,1]=4 349 B9R1.13 O=C(O)CC1CCOC1 Z825745916 [0,1,0,1,0,0|1,0,1]=4 350 B9R1.13 O=C(O)C[C@@H]1CCCO1 Z1862025858 [0,1,0,1,0,0|1,0,1]=4 351 B9R1.13 O=C(O)C[C@H]1CCOC1 Z1205495408 [0,1,0,1,0,0|1,0,1]=4 352 B9R1.24 CC1(OCCC1C=O)C Z1511769442 [0,1,0,1,0,0|1,0,1]=4 353 B9R1.24 CC1(SCCC1C=O)C Z1255356876 [0,1,0,1,0,0|1,0,1]=4 354 B9R1.40 CC1(CCCCC1=O)C Z1238550479 [0,1,0,1,0,0|0,0,2]=4 355 B9R1.41 CC(C)C1CCCC1=O Z993018308 [0,1,0,1,0,0|0,0,2]=4 356 B9R1.41 CC1CCCC1C(=O)O Z1205493876 [0,1,0,1,0,0|0,0,2]=4 357 B9R1.41 CC1NCCC1C(=O)O Z2009848190 [0,1,0,1,0,0|1,0,1]=4 358 B9R1.41 CC1OCCC1C(=O)O Z1263714390 [0,1,0,1,0,0|1,0,1]=4 359 B9R1.41 C[C@@H]1CNC[C@H]1C(=O)N Z2235592159 [0,1,0,1,0,0|1,0,1]=4 360 B9R1.59 CCC[C@@H]1C[C@H]1C(=O)O Z2310055381 [0,1,0,1,0,0|0,0,2]=4 361 B9R1.59 CCOC1CC1C(=O)O Z432051730 [0,1,0,1,0,0|1,0,1]=4 362 B9R1.85 O=C(O)CCNC1CC1 Z235346951 [0,1,0,1,0,0|1,0,1]=4 363 B9R2.47 O=CC1CC2CC2C1 Z1407035097 [0,0,0,2,0,0|0,0,2]=4 364 B9R2.56 O=C[C@@]12CCC[C@@H]1C2 Z2900769719 [0,0,0,2,0,0|0,0,2]=4 365 B9R2.65 O=CC1C2C1CCC2 Z1464130480 [0,0,0,2,0,0|0,0,2]=4 366 B9R2.65 O=CC1C2C1COC2 Z1511806975 [0,0,0,2,0,0|1,0,1]=4 367 B9R2.65 O=C[C@@H]1[C@@H]2[C@H]1COC2 Z1511809905 [0,0,0,2,0,0|1,0,1]=4 368 B9R2.68 C1=CC2CC(C1)CN2 Z3688945570 [0,0,0,2,0,0|1,0,1]=4 369 B9R2.39 NC1CC2C=CC1C2 Z3024172904 [0,0,0,2,0,0|1,0,1]=4 370 B9R2.59 O=CC1CC2CC1C2 Z4318223838 [0,0,0,2,0,0|0,0,2]=4 371 B9R2.140 O=C1CCC12CCC2 Z1198313571 [0,0,0,2,0,0|0,0,2]=4 372 B9R2.153 O=CC1CC12CCC2 Z3243444076 [0,0,0,2,0,0|0,0,2]=4 373 B9R2.33 O=C1C[C@@H]2C=C[C@@H]2N1 Z4138892911 [0,0,0,2,0,0|1,0,0]=3 374 B9R2.79 O=C[C@@H]1C[C@H]1C2CC2 Z3581747037 [0,0,0,2,0,0|0,0,2]=4