0 B8R1.7 CC(=O)C1CCCC1 Z513735352 [0,0,0,0,0,0|2,0,0]=2 1 B8R1.7 CC(=O)C1CCNC1 Z3011567326 [0,0,0,0,0,0|3,0,0]=3 2 B8R1.7 CC(=O)C1CCOC1 Z1138843358 [0,0,0,0,0,0|3,0,0]=3 3 B8R1.7 CC(N)C1CCCC1 Z513797688 [0,0,0,0,0,0|3,0,1]=4 4 B8R1.7 CC(N)C1CCCN1 Z742893600 [0,0,0,0,0,0|3,0,1]=4 5 B8R1.7 CC(N)C1CCCO1 Z318730550 [0,0,0,0,0,0|2,0,1]=3 6 B8R1.7 CC(O)C1CCNC1 Z1198184307 [0,0,0,0,0,0|3,0,1]=4 7 B8R1.7 CC(O)C1CCOC1 Z1138843471 [0,0,0,0,0,0|3,0,1]=4 8 B8R1.7 CC(O)[C@@H]1CCCN1 Z1203825201 [0,0,0,0,0,0|2,0,1]=3 9 B8R1.7 C[C@@H](O)C1CCOC1 Z1259149358 [0,0,0,0,0,0|3,0,1]=4 10 B8R1.7 C[C@H](O)C1CCOC1 Z1259149356 [0,0,0,0,0,0|3,0,1]=4 11 B8R1.7 FC(F)[C@@H]1CCCN1 Z1692482620 [0,0,0,0,0,0|3,0,1]=4 12 B8R1.7 N=C(N)C1CCCC1 Z1266823290 [0,0,0,0,0,0|3,0,0]=3 13 B8R1.7 N=C(N)C1CCCO1 Z1582263149 [0,0,0,0,0,0|2,0,0]=2 14 B8R1.7 N=C(N)C1CCNC1 Z2865416914 [0,0,0,0,0,0|4,0,0]=4 15 B8R1.7 N=C(N)C1CCOC1 Z2787259146 [0,0,0,0,0,0|4,0,0]=4 16 B8R1.7 N=C(N)N1CCCC1 Z161313378 [0,0,0,0,0,0|4,0,0]=4 17 B8R1.7 NC(=O)C1CCCC1 Z33546657 [0,0,0,0,0,0|2,0,0]=2 18 B8R1.7 NC(=O)C1CCCN1 Z56945990 [0,0,0,0,0,0|2,0,0]=2 19 B8R1.7 NC(=O)C1CCCO1 Z33545380 [0,0,0,0,0,0|1,0,0]=1 20 B8R1.7 NC(=O)C1CCNC1 Z1198394223 [0,0,0,0,0,0|3,0,0]=3 21 B8R1.7 NC(=O)C1CCOC1 Z802555342 [0,0,0,0,0,0|3,0,0]=3 22 B8R1.7 NC(=O)C1CSCN1 Z316101160 [0,0,0,0,0,0|3,0,0]=3 23 B8R1.7 NC(=O)N1CCCC1 Z56907605 [0,0,0,0,0,0|3,0,0]=3 24 B8R1.7 NC(=S)N1CCCC1 Z55928944 [0,0,0,0,0,0|3,1,0]=4 25 B8R1.7 O=C(O)C1=CC=CO1 Z104473462 [0,0,0,0,0,0|0,0,4]=4 26 B8R1.7 O=C(O)C1=CC=NO1 Z56943419 [0,0,0,0,0,0|1,0,3]=4 27 B8R1.7 O=C(O)C1=CCCC1 Z1205493596 [0,0,0,0,0,0|1,0,1]=2 28 B8R1.7 O=C(O)C1=CCCS1 Z1205451212 [0,0,0,0,0,0|0,1,2]=3 29 B8R1.7 O=C(O)C1=CN=CO1 Z204020264 [0,0,0,0,0,0|1,0,3]=4 30 B8R1.7 O=C(O)C1=COCC1 Z1013753090 [0,0,0,0,0,0|2,0,1]=3 31 B8R1.7 O=C(O)C1=NOCC1 Z1205494291 [0,0,0,0,0,0|2,0,1]=3 32 B8R1.7 O=C(O)C1C=CCN1 Z2902023058 [0,0,0,0,0,0|1,0,2]=3 33 B8R1.7 O=C(O)C1CC=CC1 Z1205493626 [0,0,0,0,0,0|1,0,2]=3 34 B8R1.7 O=C(O)C1CCCC1 Z104476116 [0,0,0,0,0,0|1,0,0]=1 35 B8R1.7 O=C(O)C1CCCN1 Z104476886 [0,0,0,0,0,0|1,0,0]=1 36 B8R1.7 O=C(O)C1CCCO1 Z104486102 [0,0,0,0,0,0|0,0,0]=0 37 B8R1.7 O=C(O)C1CCCS1 Z1198330300 [0,0,0,0,0,0|0,1,0]=1 38 B8R1.7 O=C(O)C1CCNC1 Z1741969245 [0,0,0,0,0,0|2,0,0]=2 39 B8R1.7 O=C(O)C1CCNO1 Z3182027847 [0,0,0,0,0,0|1,0,0]=1 40 B8R1.7 O=C(O)C1CCOC1 Z381356480 [0,0,0,0,0,0|2,0,0]=2 41 B8R1.7 O=C(O)C1CCSC1 Z1187898499 [0,0,0,0,0,0|2,0,0]=2 42 B8R1.7 O=C(O)C1CSCN1 Z104495996 [0,0,0,0,0,0|2,0,0]=2 43 B8R1.7 O=C(O)C1NCCS1 Z1203162153 [0,0,0,0,0,0|1,1,0]=2 44 B8R1.7 O=C(O)C1OCCO1 Z1198167310 [0,0,0,0,0,0|1,0,0]=1 45 B8R1.7 O=C(O)C1SCCS1 Z1255500889 [0,0,0,0,0,0|1,1,0]=2 46 B8R1.7 O=C(O)[C@@H]1CCCN1 Z756429958 [0,0,0,0,0,0|1,0,0]=1 47 B8R1.7 O=C(O)[C@@H]1CSCN1 Z756440072 [0,0,0,0,0,0|2,0,0]=2 48 B8R1.7 O=C(O)[C@H]1CCCN1 Z933632584 [0,0,0,0,0,0|1,0,0]=1 49 B8R1.7 O=C(O)[C@H]1CSCN1 Z945807988 [0,0,0,0,0,0|2,0,0]=2 50 B8R1.7 OB(O)C1=CCCC1 Z1201621640 [0,0,0,0,0,0|2,0,2]=4 51 B8R1.7 OB(O)C1CCCC1 Z1147227731 [0,0,0,0,0,0|2,0,1]=3 52 B8R1.7 S=C(S)N1CCCC1 Z56946833 [0,0,0,0,0,0|2,2,0]=4 53 B7R1.1 BrCC1CCCO1 Z90660999 [1,0,0,0,0,0|1,0,1]=3 54 B7R1.1 C#CC1CCCN1 Z1203832764 [1,0,0,0,0,0|2,0,1]=4 55 B7R1.1 CCC1CCCN1 Z281773802 [1,0,0,0,0,0|2,0,1]=4 56 B7R1.1 CNC1CCCC1 Z102766802 [1,0,0,0,0,0|3,0,0]=4 57 B7R1.1 ClCC1CCCO1 Z56893271 [1,0,0,0,0,0|1,0,1]=3 58 B7R1.1 FCC1CCCN1 Z2216711551 [1,0,0,0,0,0|2,0,1]=4 59 B7R1.1 N#CC1CCCC1 Z285131394 [1,0,0,0,0,0|2,0,1]=4 60 B7R1.1 N#CC1CCCO1 Z1079178976 [1,0,0,0,0,0|1,0,1]=3 61 B7R1.1 N#CC1CCCS1 Z1201681638 [1,0,0,0,0,0|1,1,1]=4 62 B7R1.1 NCC1CCCC1 Z367452206 [1,0,0,0,0,0|2,0,1]=4 63 B7R1.1 NCC1CCCS1 Z1201677924 [1,0,0,0,0,0|1,1,1]=4 64 B7R1.1 NCC1COCO1 Z2298138033 [1,0,0,0,0,0|2,0,1]=4 65 B7R1.1 NC[C@@H]1CCCN1 Z3235020468 [1,0,0,0,0,0|2,0,1]=4 66 B7R1.1 NC[C@H]1CCCN1 Z1483956794 [1,0,0,0,0,0|2,0,1]=4 67 B7R1.1 NNC1CCCC1 Z285139110 [1,0,0,0,0,0|3,0,0]=4 68 B7R1.1 O=CC1=CCCC1 Z1190318866 [1,0,0,0,0,0|1,0,1]=3 69 B7R1.1 O=CC1=CCSC1 Z57981092 [1,0,0,0,0,0|2,0,1]=4 70 B7R1.1 O=CC1CC=CC1 Z1504676872 [1,0,0,0,0,0|1,0,2]=4 71 B7R1.1 O=CC1CCCC1 Z875036058 [1,0,0,0,0,0|1,0,0]=2 72 B7R1.1 O=CC1CCOC1 Z199056102 [1,0,0,0,0,0|2,0,0]=3 73 B7R1.1 O=CC1CCSC1 Z1201681645 [1,0,0,0,0,0|2,0,0]=3 74 B7R1.1 O=CN1CCCC1 Z1255394997 [1,0,0,0,0,0|2,0,0]=3 75 B7R1.1 OCC1CCCC1 Z397587414 [1,0,0,0,0,0|1,0,1]=3 76 B7R1.1 OCC1CCCN1 Z825308062 [1,0,0,0,0,0|1,0,1]=3 77 B7R1.1 OCC1CCCS1 Z1201679857 [1,0,0,0,0,0|0,1,1]=3 78 B7R1.1 OCC1CCNC1 Z976722188 [1,0,0,0,0,0|2,0,1]=4 79 B7R1.1 OCC1CCOC1 Z335245192 [1,0,0,0,0,0|2,0,1]=4 80 B7R1.1 OCC1CCSC1 Z1201679855 [1,0,0,0,0,0|2,0,1]=4 81 B7R1.1 OC[C@@H]1CCCN1 Z1123715411 [1,0,0,0,0,0|1,0,1]=3 82 B9R1.11 C=CC(=O)N1CCCC1 Z440633532 [0,1,0,0,0,0|3,0,0]=4 83 B9R1.11 CC(C=O)C1CCCC1 Z1268606342 [0,1,0,0,0,0|2,0,1]=4 84 B9R1.11 CCC(=O)C1CCCC1 Z513735272 [0,1,0,0,0,0|2,0,0]=3 85 B9R1.11 CCC(=O)C1CCOC1 Z1138843357 [0,1,0,0,0,0|3,0,0]=4 86 B9R1.11 CCC(N)C1CCCO1 Z1259145227 [0,1,0,0,0,0|2,0,1]=4 87 B9R1.11 CNC(=O)C1=CCCC1 Z1203734370 [0,1,0,0,0,0|2,0,1]=4 88 B9R1.11 CNC(=O)C1CCCN1 Z252845110 [0,1,0,0,0,0|2,0,0]=3 89 B9R1.11 CNC(=O)C1CCNC1 Z1078592234 [0,1,0,0,0,0|3,0,0]=4 90 B9R1.11 CNC(=O)C1CSCN1 Z1449756217 [0,1,0,0,0,0|3,0,0]=4 91 B9R1.11 COC(=O)C1C=CCN1 Z2901372895 [0,1,0,0,0,0|1,0,2]=4 92 B9R1.11 COC(=O)C1CCCC1 Z18376105 [0,1,0,0,0,0|1,0,0]=2 93 B9R1.11 COC(=O)C1CCCN1 Z240133664 [0,1,0,0,0,0|1,0,0]=2 94 B9R1.11 COC(=O)C1CCNC1 Z1162448855 [0,1,0,0,0,0|2,0,0]=3 95 B9R1.11 COC(=O)C1CCNO1 Z3182027836 [0,1,0,0,0,0|1,0,0]=2 96 B9R1.11 COC(=O)C1CCOC1 Z802555348 [0,1,0,0,0,0|2,0,0]=3 97 B9R1.11 COC(=O)C1CCSS1 Z3302120689 [0,1,0,0,0,0|1,1,0]=3 98 B9R1.11 COC(=O)C1NCCS1 Z1203162102 [0,1,0,0,0,0|1,1,0]=3 99 B9R1.11 COC(=O)[C@@H]1CCCN1 Z1263714077 [0,1,0,0,0,0|1,0,0]=2 100 B9R1.11 N/C(=N\O)/C1CCCC1 Z285132798 [0,1,0,0,0,0|2,0,0]=3 101 B9R1.11 NCC(=O)N1CCCC1 Z1449745390 [0,1,0,0,0,0|3,0,0]=4 102 B9R1.11 NNC(=O)C1CCCC1 Z58981928 [0,1,0,0,0,0|2,0,0]=3 103 B9R1.11 O=C(CCl)C1CCCC1 Z1198266546 [0,1,0,0,0,0|2,0,0]=3 104 B9R1.11 O=C(CCl)C1CCCO1 Z1205660980 [0,1,0,0,0,0|1,0,0]=2 105 B9R1.11 O=C(CCl)N1CCCC1 Z56896279 [0,1,0,0,0,0|3,0,0]=4 106 B9R1.11 O=C(CO)N1CCCC1 Z431952022 [0,1,0,0,0,0|2,0,0]=3 107 B9R1.11 O=C(NO)C1CCCO1 Z59183015 [0,1,0,0,0,0|0,0,0]=1 108 B9R1.19 CC(C)(N)C1CCCO1 Z3045660680 [0,1,0,0,0,0|2,0,1]=4 109 B9R1.19 CC(C)(O)C1CCCN1 Z1192038961 [0,1,0,0,0,0|2,0,1]=4 110 B9R1.19 NS(=O)(=O)C1CCCC1 Z734461564 [0,1,0,0,0,0|2,0,1]=4 111 B9R1.19 O=S(=O)(F)C1CCCC1 Z991738850 [0,1,0,0,0,0|2,0,1]=4 112 B9R1.35 CC(=O)N1CCC(C1)I Z1486011417 [0,1,0,0,0,0|3,0,0]=4 113 B9R1.35 CC(=O)N1CCC(C1)N Z1421529530 [0,1,0,0,0,0|3,0,0]=4 114 B9R1.35 CC(=O)N1CCC(C1)O Z1037571952 [0,1,0,0,0,0|3,0,0]=4 115 B9R1.35 CC(=O)N1CC[C@H](C1)N Z4485354356 [0,1,0,0,0,0|3,0,0]=4 116 B9R1.35 CC1=NOC(C1)C(=O)O Z1198309057 [0,1,0,0,0,0|1,0,1]=3 117 B9R1.35 CC1C=C(CC1)C(=O)O Z1205494874 [0,1,0,0,0,0|1,0,1]=3 118 B9R1.35 CC1CC(CO1)C(=O)O Z1509040560 [0,1,0,0,0,0|2,0,0]=3 119 B9R1.35 CC1CCC(C1)C(=O)O Z1190318311 [0,1,0,0,0,0|1,0,0]=2 120 B9R1.35 CC1COC(C1)C(=O)O Z2785866738 [0,1,0,0,0,0|0,0,0]=1 121 B9R1.35 CC1NC(CS1)C(=O)O Z317026564 [0,1,0,0,0,0|2,0,0]=3 122 B9R1.35 CN1CCC(C1)C(=O)O Z406683232 [0,1,0,0,0,0|2,0,0]=3 123 B9R1.35 C[C@@H]1CC[C@@H](N1)C(=O)O Z2309921587 [0,1,0,0,0,0|1,0,0]=2 124 B9R1.35 C[C@@H]1CC[C@@H](O1)C(=O)O Z2238277752 [0,1,0,0,0,0|0,0,0]=1 125 B9R1.35 NC(=O)C1CC(CN1)O Z56960275 [0,1,0,0,0,0|2,0,0]=3 126 B9R1.35 NC(=O)N1CCC(C1)N Z1342879018 [0,1,0,0,0,0|3,0,0]=4 127 B9R1.35 NC(=O)[C@@H]1C[C@H](CN1)F Z1203582968 [0,1,0,0,0,0|2,0,0]=3 128 B9R1.35 NC(=O)[C@H]1CC[C@H](C1)N Z2238896801 [0,1,0,0,0,0|2,0,0]=3 129 B9R1.35 NC1C=CC(C1)C(=O)O Z1350606478 [0,1,0,0,0,0|1,0,1]=3 130 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O Z2307368779 [0,1,0,0,0,0|1,0,0]=2 131 B9R1.35 O=C(O)C1CCC(C1)F Z1981870592 [0,1,0,0,0,0|1,0,0]=2 132 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O Z2470415380 [0,1,0,0,0,0|1,0,0]=2 133 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O Z802856442 [0,1,0,0,0,0|1,0,0]=2 134 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O Z1201624589 [0,1,0,0,0,0|1,0,0]=2 135 B9R1.35 O=C1CC(CN1)C(=O)O Z239137534 [0,1,0,0,0,0|2,0,1]=4 136 B9R1.35 O=C1CC(CO1)C(=O)O Z1205493721 [0,1,0,0,0,0|2,0,1]=4 137 B9R1.35 O=C1CC(CS1)C(=O)O Z1201622329 [0,1,0,0,0,0|2,0,1]=4 138 B9R1.35 O=C1CCC(C1)C(=O)O Z1205493622 [0,1,0,0,0,0|1,0,1]=3 139 B9R1.35 O=C1CCC(N1)C(=O)O Z104474096 [0,1,0,0,0,0|1,0,1]=3 140 B9R1.35 O=C1CCC(O1)C(=O)O Z1198149867 [0,1,0,0,0,0|0,0,1]=2 141 B9R1.35 O=C1CCC(S1)C(=O)O Z1205655674 [0,1,0,0,0,0|0,1,1]=3 142 B9R1.35 O=C1CC[C@@H](N1)C(=O)O Z812534840 [0,1,0,0,0,0|1,0,1]=3 143 B9R1.35 O=C1CC[C@H](N1)C(=O)O Z1154378309 [0,1,0,0,0,0|1,0,1]=3 144 B9R1.35 O=C1CN[C@@H](C1)C(=O)O Z2902023119 [0,1,0,0,0,0|1,0,1]=3 145 B9R1.35 O=C1COC(C1)C(=O)O Z3002628864 [0,1,0,0,0,0|0,0,1]=2 146 B9R1.35 O=C1NC(CO1)C(=O)O Z1201627960 [0,1,0,0,0,0|2,0,1]=4 147 B9R1.35 O=C1NC(CS1)C(=O)O Z199409846 [0,1,0,0,0,0|2,0,1]=4 148 B9R1.35 O=C1NCC(N1)C(=O)O Z1162470818 [0,1,0,0,0,0|2,0,1]=4 149 B9R1.35 O=C1NCC(O1)C(=O)O Z1203735066 [0,1,0,0,0,0|1,0,1]=3 150 B9R1.35 O=C1N[C@@H](CS1)C(=O)O Z203038562 [0,1,0,0,0,0|2,0,1]=4 151 B9R1.35 O=C1OCC(O1)C(=O)O Z1889707900 [0,1,0,0,0,0|1,0,1]=3 152 B9R1.41 CC1=C(CCC1)C(=O)O Z1205493763 [0,1,0,0,0,0|1,0,1]=3 153 B9R1.41 CC1CCCC1C(=O)O Z1205493876 [0,1,0,0,0,0|1,0,0]=2 154 B9R1.41 CC1CCNC1C(=O)O Z1708090072 [0,1,0,0,0,0|1,0,0]=2 155 B9R1.41 CC1NCCC1C(=O)O Z2009848190 [0,1,0,0,0,0|2,0,0]=3 156 B9R1.41 CC1OCCC1C(=O)O Z1263714390 [0,1,0,0,0,0|2,0,0]=3 157 B9R1.41 CN1CCCC1C(=O)O Z424762078 [0,1,0,0,0,0|1,0,0]=2 158 B9R1.41 CN1CCC[C@@H]1C(=O)O Z1205493803 [0,1,0,0,0,0|1,0,0]=2 159 B9R1.41 CN1CSCC1C(=O)O Z3069281046 [0,1,0,0,0,0|2,0,0]=3 160 B9R1.41 C[C@@H]1CNC[C@H]1C(=O)N Z2235592159 [0,1,0,0,0,0|3,0,0]=4 161 B9R1.41 NC(=O)C1CCCC1N Z1203642185 [0,1,0,0,0,0|2,0,0]=3 162 B9R1.41 NC(=O)[C@H]1CCC[C@H]1N Z2311233523 [0,1,0,0,0,0|2,0,0]=3 163 B9R1.41 NC(=O)[C@H]1OCC[C@H]1N Z3719404582 [0,1,0,0,0,0|1,0,0]=2 164 B9R1.41 NC1CCCC1C(=O)O Z1250132738 [0,1,0,0,0,0|1,0,0]=2 165 B9R1.41 NN1CCC[C@@H]1C(=O)O Z1205495541 [0,1,0,0,0,0|1,0,0]=2 166 B9R1.41 NN1CCC[C@H]1C(=O)O Z1205494129 [0,1,0,0,0,0|1,0,0]=2 167 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O Z2568674579 [0,1,0,0,0,0|1,0,0]=2 168 B9R1.41 N[C@@H]1CCO[C@@H]1C(=O)O Z2937968219 [0,1,0,0,0,0|0,0,0]=1 169 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O Z2327569946 [0,1,0,0,0,0|1,0,0]=2 170 B9R1.41 O=C(O)C1=C(CCC1)Cl Z1198161164 [0,1,0,0,0,0|1,0,1]=3 171 B9R1.41 O=C(O)C1CCCC1O Z1080722426 [0,1,0,0,0,0|1,0,0]=2 172 B9R1.41 O=C(O)C1CCNC1=O Z1203733517 [0,1,0,0,0,0|2,0,0]=3 173 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1F Z3305005618 [0,1,0,0,0,0|1,0,0]=2 174 B9R1.163 CC(=O)C1(CCCC1)N Z2736561944 [0,1,0,0,0,0|2,0,0]=3 175 B9R1.163 CC(=O)C1(CCCO1)C Z1389051490 [0,1,0,0,0,0|1,0,0]=2 176 B9R1.163 CC(O)C1(CCCO1)C Z1389051935 [0,1,0,0,0,0|1,0,1]=3 177 B9R1.163 CC1(CCCC1)C(=O)O Z199537270 [0,1,0,0,0,0|1,0,0]=2 178 B9R1.163 CC1(CCCN1)C(=O)O Z1483991628 [0,1,0,0,0,0|1,0,0]=2 179 B9R1.163 CC1(CCCO1)C(=O)O Z1198171568 [0,1,0,0,0,0|0,0,0]=1 180 B9R1.163 CC1(CCCS1)C(=O)O Z1268152237 [0,1,0,0,0,0|0,1,0]=2 181 B9R1.163 CC1(CCNC1)C(=O)N Z1095299604 [0,1,0,0,0,0|3,0,0]=4 182 B9R1.163 CC1(CCNC1)C(=O)O Z1407007571 [0,1,0,0,0,0|2,0,0]=3 183 B9R1.163 CC1(CCOC1)C(=O)O Z995182654 [0,1,0,0,0,0|2,0,0]=3 184 B9R1.163 NC(=O)C1(CCCC1)N Z1267881706 [0,1,0,0,0,0|2,0,0]=3 185 B9R1.163 NC(=O)C1(CCCC1)O Z965048590 [0,1,0,0,0,0|2,0,0]=3 186 B9R1.163 NC(=O)C1(CCNC1)O Z1809367630 [0,1,0,0,0,0|3,0,0]=4 187 B9R1.163 NC1(CC=CC1)C(=O)O Z3814563789 [0,1,0,0,0,0|1,0,2]=4 188 B9R1.163 NC1(CCCC1)C(=O)O Z234896477 [0,1,0,0,0,0|1,0,0]=2 189 B9R1.163 NC1(CCOC1)C(=O)O Z1124555363 [0,1,0,0,0,0|2,0,0]=3 190 B9R1.163 NC1(CCSC1)C(=O)O Z317024750 [0,1,0,0,0,0|2,0,0]=3 191 B9R1.163 O=C(O)C1(CCCC1)O Z220335554 [0,1,0,0,0,0|1,0,0]=2 192 B9R1.163 O=C(O)C1(CCOC1)F Z1893239035 [0,1,0,0,0,0|2,0,0]=3 193 B9R1.163 O=C(O)C1(CCOC1)O Z1124555786 [0,1,0,0,0,0|2,0,0]=3 194 B7R0.4 C#CCNCC(=O)O Z2513337624 [0,0,1,0,0,0|1,0,2]=4 195 B7R0.4 C#CCOCC(=O)O Z362807246 [0,0,1,0,0,0|0,0,2]=3 196 B7R0.4 C#CCSCC(=O)O Z149151642 [0,0,1,0,0,0|0,1,2]=4 197 B7R0.4 C=CCCCC(=O)O Z1205493561 [0,0,1,0,0,0|1,0,1]=3 198 B7R0.4 C=CCNCC(=O)O Z803145546 [0,0,1,0,0,0|1,0,2]=4 199 B7R0.4 C=CCOCC(=O)O Z362807794 [0,0,1,0,0,0|0,0,2]=3 200 B7R0.4 C=CCSCC(=O)O Z149151274 [0,0,1,0,0,0|0,1,2]=4 201 B7R0.4 CC#CCCC(=O)O Z1205493674 [0,0,1,0,0,0|1,0,2]=4 202 B7R0.4 CC(=O)NCCCN Z295405102 [0,0,1,0,0,0|3,0,0]=4 203 B7R0.4 CC(=O)NCCCO Z353570744 [0,0,1,0,0,0|2,0,0]=3 204 B7R0.4 CC(N)CCCCO Z2234185667 [0,0,1,0,0,0|2,0,1]=4 205 B7R0.4 CCC/C=C/C(=O)O Z104506794 [0,0,1,0,0,0|1,0,1]=3 206 B7R0.4 CCCCCC(=N)N Z3490473907 [0,0,1,0,0,0|3,0,0]=4 207 B7R0.4 CCCCCC(=O)O Z104503532 [0,0,1,0,0,0|1,0,0]=2 208 B7R0.4 CCCCOC(=O)N Z104476286 [0,0,1,0,0,0|3,0,0]=4 209 B7R0.4 CCCNCC(=O)N Z2211231296 [0,0,1,0,0,0|2,0,0]=3 210 B7R0.4 CCCNCC(=O)O Z744582718 [0,0,1,0,0,0|1,0,0]=2 211 B7R0.4 CCCOCC(=O)O Z406677750 [0,0,1,0,0,0|0,0,0]=1 212 B7R0.4 CCCSCC(=O)C Z447929234 [0,0,1,0,0,0|1,1,0]=3 213 B7R0.4 CCCSCC(=O)O Z228425458 [0,0,1,0,0,0|0,1,0]=2 214 B7R0.4 CCNCCC(=O)N Z2681234913 [0,0,1,0,0,0|3,0,0]=4 215 B7R0.4 CCNCCC(=O)O Z1869802098 [0,0,1,0,0,0|2,0,0]=3 216 B7R0.4 CCOCCC(=O)O Z316258938 [0,0,1,0,0,0|2,0,0]=3 217 B7R0.4 CCSCCC(=O)O Z197206046 [0,0,1,0,0,0|2,0,0]=3 218 B7R0.4 CNCCCC(=O)O Z57043473 [0,0,1,0,0,0|2,0,0]=3 219 B7R0.4 COCCCC(=O)C Z406376722 [0,0,1,0,0,0|3,0,0]=4 220 B7R0.4 COCCCC(=O)O Z316258912 [0,0,1,0,0,0|2,0,0]=3 221 B7R0.4 COCOCC(=N)N Z1723549321 [0,0,1,0,0,0|3,0,0]=4 222 B7R0.4 CSCCCC(=O)O Z54602911 [0,0,1,0,0,0|2,0,0]=3 223 B7R0.4 N#CCCCC(=O)O Z1198152304 [0,0,1,0,0,0|1,0,1]=3 224 B7R0.4 N#CCSCC(=O)O Z19691779 [0,0,1,0,0,0|1,1,1]=4 225 B7R0.4 NC(=O)COCCO Z1198148880 [0,0,1,0,0,0|2,0,0]=3 226 B7R0.4 NC(=O)NCCCO Z198194722 [0,0,1,0,0,0|2,0,0]=3 227 B7R0.4 NCCCCC(=O)N Z1639630947 [0,0,1,0,0,0|2,0,0]=3 228 B7R0.4 NCCCCC(=O)O Z271111992 [0,0,1,0,0,0|1,0,0]=2 229 B7R0.4 NCCCOC(=O)N Z3337481796 [0,0,1,0,0,0|3,0,0]=4 230 B7R0.4 NCCNCC(=O)O Z2692249907 [0,0,1,0,0,0|2,0,0]=3 231 B7R0.4 NCCOCC(=O)N Z1428158847 [0,0,1,0,0,0|2,0,0]=3 232 B7R0.4 NCCOCC(=O)O Z1650039500 [0,0,1,0,0,0|1,0,0]=2 233 B7R0.4 NCCSCC(=O)O Z1381287295 [0,0,1,0,0,0|1,1,0]=3 234 B7R0.4 O=C(O)CCCCBr Z104479696 [0,0,1,0,0,0|1,0,0]=2 235 B7R0.4 O=C(O)CCCCS Z808230828 [0,0,1,0,0,0|0,1,0]=2 236 B7R0.4 O=C(O)CNCCO Z425411352 [0,0,1,0,0,0|1,0,0]=2 237 B7R0.4 O=C([O-])CCCCO Z2335631573 [0,0,1,0,0,0|0,0,1]=2 238 B7R0.4 O=C([O-])COCCO Z1744715804 [0,0,1,0,0,0|1,0,1]=3 239 B7R0.5 C/C=C/C(O)C(=O)O Z2515207189 [0,0,1,0,0,0|0,0,2]=3 240 B7R0.5 C=CCC(N)C(=O)O Z317024964 [0,0,1,0,0,0|1,0,2]=4 241 B7R0.5 C=CC[C@@H](N)C(=O)O Z1374884973 [0,0,1,0,0,0|1,0,2]=4 242 B7R0.5 CC(CCN)C(=O)O Z2298167292 [0,0,1,0,0,0|2,0,0]=3 243 B7R0.5 CC(NC=O)C(=O)O Z56757230 [0,0,1,0,0,0|2,0,1]=4 244 B7R0.5 CCCC(C)C(=O)O Z104477112 [0,0,1,0,0,0|1,0,0]=2 245 B7R0.5 CCCC(N)C(=O)O Z317024724 [0,0,1,0,0,0|1,0,0]=2 246 B7R0.5 CCC[C@@H](N)C(=O)O Z763365012 [0,0,1,0,0,0|1,0,0]=2 247 B7R0.5 CCC[C@H](N)C(=O)O Z1033300662 [0,0,1,0,0,0|1,0,0]=2 248 B7R0.5 CCNC(C)C(=O)O Z3181996310 [0,0,1,0,0,0|1,0,0]=2 249 B7R0.5 CCOC(=O)C(=O)C Z104472090 [0,0,1,0,0,0|2,0,1]=4 250 B7R0.5 CCOC(=O)C(=O)N Z104475764 [0,0,1,0,0,0|2,0,1]=4 251 B7R0.5 CCOC(C)C(=N)N Z1268703736 [0,0,1,0,0,0|2,0,0]=3 252 B7R0.5 CCOC(C)C(=O)O Z316258934 [0,0,1,0,0,0|0,0,0]=1 253 B7R0.5 CCSC(C)C(=N)N Z1483957022 [0,0,1,0,0,0|2,1,0]=4 254 B7R0.5 CNCC(C)C(=O)O Z1270387301 [0,0,1,0,0,0|2,0,0]=3 255 B7R0.5 COCC(C)C(=O)O Z431541094 [0,0,1,0,0,0|2,0,0]=3 256 B7R0.5 COCC(N)C(=O)O Z1613478163 [0,0,1,0,0,0|2,0,0]=3 257 B7R0.5 CSCC(C)C(=O)O Z732206684 [0,0,1,0,0,0|2,0,0]=3 258 B7R0.5 CSCC(N)C(=O)O Z317025996 [0,0,1,0,0,0|2,0,0]=3 259 B7R0.5 NC(CCF)C(=O)O Z2470036329 [0,0,1,0,0,0|2,0,0]=3 260 B7R0.5 NC(CCO)C(=O)O Z234896487 [0,0,1,0,0,0|2,0,0]=3 261 B7R0.5 NCCC(F)C(=O)O Z3235903750 [0,0,1,0,0,0|2,0,0]=3 262 B7R0.5 NCC[C@H](N)C(=O)O Z1741978716 [0,0,1,0,0,0|2,0,0]=3 263 B7R0.5 NCC[C@H](O)C(=O)O Z1203578154 [0,0,1,0,0,0|1,0,0]=2 264 B7R0.5 N[C@@H](CCO)C(=O)O Z1172369006 [0,0,1,0,0,0|2,0,0]=3 265 B7R0.5 N[C@H](CCO)C(=O)O Z608345098 [0,0,1,0,0,0|2,0,0]=3 266 B7R0.15 CCC(C#N)C(=O)O Z1117899421 [0,0,1,0,0,0|2,0,0]=3 267 B7R0.15 CCC(CC)C(=N)N Z3221365874 [0,0,1,0,0,0|3,0,0]=4 268 B7R0.15 CCC(CC)C(=O)N Z365255920 [0,0,1,0,0,0|2,0,0]=3 269 B7R0.15 CCC(CC)C(=S)N Z336081440 [0,0,1,0,0,0|2,1,0]=4 270 B7R0.15 CCC(CO)C(=O)[O-] Z2442085377 [0,0,1,0,0,0|2,0,1]=4 271 B7R0.15 CCC(NC)C(=O)O Z818727142 [0,0,1,0,0,0|1,0,0]=2 272 B7R0.15 CCC(OC)C(=O)O Z449367058 [0,0,1,0,0,0|0,0,0]=1 273 B7R0.15 CCC(SC)C(=O)O Z732206700 [0,0,1,0,0,0|0,1,0]=2 274 B7R0.15 CCN(OC)C(=O)C Z1689168852 [0,0,1,0,0,0|2,0,0]=3 275 B7R0.15 CNC(CN)C(=O)O Z1982493964 [0,0,1,0,0,0|2,0,0]=3 276 B7R0.15 COC(CN)C(=O)O Z1603778808 [0,0,1,0,0,0|1,0,0]=2 277 B7R0.15 COC(OC)C(=O)N Z56754520 [0,0,1,0,0,0|2,0,0]=3 278 B7R0.15 COC(OC)C(C)O Z1167044501 [0,0,1,0,0,0|2,0,1]=4 279 B7R0.15 NCC(CN)C(=O)O Z5183354524 [0,0,1,0,0,0|3,0,0]=4 280 B9R2.2 C1CCC(C1)C2CO2 Z1020679780 [0,0,0,1,0,0|2,0,1]=4 281 B9R2.2 C1COC(C1)C2CO2 Z1504674596 [0,0,0,1,0,0|1,0,1]=3 282 B9R2.7 O=C1NC2C1CCC2 Z1250169685 [0,0,0,1,0,0|2,0,0]=3 283 B9R2.7 O=C1N[C@H]2[C@@H]1CCC2 Z2307158154 [0,0,0,1,0,0|2,0,0]=3 284 B9R2.39 NC1CC2CCC1O2 Z1203586766 [0,0,0,1,0,0|2,0,1]=4 285 B9R2.39 N[C@@H]1C[C@H]2CC[C@@H]1O2 Z2442099637 [0,0,0,1,0,0|2,0,1]=4 286 B9R2.39 N[C@H]1CC2CCC1O2 Z1270498447 [0,0,0,1,0,0|2,0,1]=4 287 B9R2.39 O=C1NC2CCC1C2 Z1238833321 [0,0,0,1,0,0|2,0,0]=3 288 B9R2.39 OC1CC2CCC1C2 Z104479470 [0,0,0,1,0,0|2,0,1]=4 289 B9R2.39 OC1CC2CCC1O2 Z1255395449 [0,0,0,1,0,0|1,0,1]=3 290 B9R2.39 O[C@@H]1C[C@H]2CN[C@@H]1C2 Z3288510014 [0,0,0,1,0,0|2,0,1]=4 291 B7R1.18 CC(O)C1CCC1 Z1198149695 [0,0,0,0,1,0|1,0,1]=3 292 B7R1.18 N=C(N)C1CCC1 Z1532540511 [0,0,0,0,1,0|2,0,0]=3 293 B7R1.18 N=C(N)C1CNC1 Z4479186811 [0,0,0,0,1,0|3,0,0]=4 294 B7R1.18 NC(=O)C1CCC1 Z33546656 [0,0,0,0,1,0|1,0,0]=2 295 B7R1.18 NC(=O)C1CNC1 Z2754447740 [0,0,0,0,1,0|2,0,0]=3 296 B7R1.18 O=C(O)C1CCC1 Z104472264 [0,0,0,0,1,0|0,0,0]=1 297 B7R1.18 O=C(O)C1CCN1 Z168878270 [0,0,0,0,1,0|1,0,0]=2 298 B7R1.18 O=C(O)C1CNC1 Z1171217434 [0,0,0,0,1,0|1,0,0]=2 299 B7R1.18 O=C(O)C1CSC1 Z1205495555 [0,0,0,0,1,0|1,0,0]=2 300 B9R1.6 CC(=O)C1=CNCCC1 Z238880918 [0,0,0,0,0,1|2,0,1]=4 301 B9R1.6 CC(=O)C1CCCCN1 Z1954800414 [0,0,0,0,0,1|2,0,0]=3 302 B9R1.6 CC(=O)C1CCCOC1 Z1259153006 [0,0,0,0,0,1|1,0,0]=2 303 B9R1.6 CC(=O)C1CCNCC1 Z1741977299 [0,0,0,0,0,1|2,0,0]=3 304 B9R1.6 CC(=O)C1CCOCC1 Z1178490124 [0,0,0,0,0,1|2,0,0]=3 305 B9R1.6 CC(=O)N1CCCOC1 Z2143251901 [0,0,0,0,0,1|2,0,0]=3 306 B9R1.6 CC(=O)[C@@H]1CCCCN1 Z1618016835 [0,0,0,0,0,1|2,0,0]=3 307 B9R1.6 CC(=O)[C@H]1CCCCN1 Z2234185612 [0,0,0,0,0,1|2,0,0]=3 308 B9R1.6 CC(C)C1CNCCO1 Z1203831893 [0,0,0,0,0,1|2,0,1]=4 309 B9R1.6 CC(N)C1COCCO1 Z3482741168 [0,0,0,0,0,1|2,0,1]=4 310 B9R1.6 CC(O)C1CCCCC1 Z445987098 [0,0,0,0,0,1|2,0,1]=4 311 B9R1.6 CC(O)C1CCCCN1 Z995042172 [0,0,0,0,0,1|2,0,1]=4 312 B9R1.6 CC(O)C1CCCNC1 Z431526982 [0,0,0,0,0,1|2,0,1]=4 313 B9R1.6 CC(O)C1CCNCC1 Z995042164 [0,0,0,0,0,1|2,0,1]=4 314 B9R1.6 CC(O)C1CCOCC1 Z1171215247 [0,0,0,0,0,1|2,0,1]=4 315 B9R1.6 CC(O)C1CNCCO1 Z1203734763 [0,0,0,0,0,1|1,0,1]=3 316 B9R1.6 C[C@@H](O)C1CCCCC1 Z959151676 [0,0,0,0,0,1|2,0,1]=4 317 B9R1.6 N=C(N)C1CCCCC1 Z317027412 [0,0,0,0,0,1|3,0,0]=4 318 B9R1.6 N=C(N)C1CCCCN1 Z1269145449 [0,0,0,0,0,1|3,0,0]=4 319 B9R1.6 N=C(N)C1CCCOC1 Z5597542232 [0,0,0,0,0,1|2,0,0]=3 320 B9R1.6 N=C(N)C1CCOCC1 Z1582263016 [0,0,0,0,0,1|3,0,0]=4 321 B9R1.6 NC(=O)C1=CNCCC1 Z1201618199 [0,0,0,0,0,1|2,0,1]=4 322 B9R1.6 NC(=O)C1CC=CCC1 Z145119476 [0,0,0,0,0,1|2,0,1]=4 323 B9R1.6 NC(=O)C1CCCCC1 Z33546516 [0,0,0,0,0,1|2,0,0]=3 324 B9R1.6 NC(=O)C1CCCCN1 Z90122010 [0,0,0,0,0,1|2,0,0]=3 325 B9R1.6 NC(=O)C1CCCNC1 Z85932258 [0,0,0,0,0,1|2,0,0]=3 326 B9R1.6 NC(=O)C1CCNCC1 Z1450533743 [0,0,0,0,0,1|2,0,0]=3 327 B9R1.6 NC(=O)C1CCOCC1 Z82670321 [0,0,0,0,0,1|2,0,0]=3 328 B9R1.6 NC(=O)C1CNCCN1 Z203041340 [0,0,0,0,0,1|2,0,0]=3 329 B9R1.6 NC(=O)C1CNCCO1 Z854097660 [0,0,0,0,0,1|1,0,0]=2 330 B9R1.6 NC(=O)C1CSCCN1 Z1198160722 [0,0,0,0,0,1|2,0,0]=3 331 B9R1.6 NC(=O)N1CCCCC1 Z56917364 [0,0,0,0,0,1|3,0,0]=4 332 B9R1.6 NC(=O)N1CCNCC1 Z1473962055 [0,0,0,0,0,1|3,0,0]=4 333 B9R1.6 NC(=O)[C@@H]1CNCCO1 Z2434225518 [0,0,0,0,0,1|1,0,0]=2 334 B9R1.6 NC(=O)[C@H]1CNCCO1 Z2434225532 [0,0,0,0,0,1|1,0,0]=2 335 B9R1.6 O=C(O)C1=CCCNC1 Z1198149389 [0,0,0,0,0,1|1,0,1]=3 336 B9R1.6 O=C(O)C1=CCCSC1 Z1172114103 [0,0,0,0,0,1|1,0,1]=3 337 B9R1.6 O=C(O)C1=COCCC1 Z1013753084 [0,0,0,0,0,1|0,0,1]=2 338 B9R1.6 O=C(O)C1=COCCO1 Z56757223 [0,0,0,0,0,1|0,0,2]=3 339 B9R1.6 O=C(O)C1C=CCCC1 Z57127330 [0,0,0,0,0,1|1,0,0]=2 340 B9R1.6 O=C(O)C1C=CCCN1 Z3668162534 [0,0,0,0,0,1|1,0,1]=3 341 B9R1.6 O=C(O)C1C=CCNC1 Z3488456277 [0,0,0,0,0,1|1,0,1]=3 342 B9R1.6 O=C(O)C1CC=CCC1 Z57921336 [0,0,0,0,0,1|1,0,1]=3 343 B9R1.6 O=C(O)C1CC=CCN1 Z3839411211 [0,0,0,0,0,1|1,0,1]=3 344 B9R1.6 O=C(O)C1CCCCC1 Z104475698 [0,0,0,0,0,1|1,0,0]=2 345 B9R1.6 O=C(O)C1CCCCN1 Z104479780 [0,0,0,0,0,1|1,0,0]=2 346 B9R1.6 O=C(O)C1CCCCO1 Z963633098 [0,0,0,0,0,1|0,0,0]=1 347 B9R1.6 O=C(O)C1CCCNC1 Z324553206 [0,0,0,0,0,1|1,0,0]=2 348 B9R1.6 O=C(O)C1CCCOC1 Z445214062 [0,0,0,0,0,1|0,0,0]=1 349 B9R1.6 O=C(O)C1CCCSC1 Z1198485079 [0,0,0,0,0,1|0,1,0]=2 350 B9R1.6 O=C(O)C1CCCSS1 Z1262517456 [0,0,0,0,0,1|0,1,0]=2 351 B9R1.6 O=C(O)C1CCNC=N1 Z2471799191 [0,0,0,0,0,1|1,0,1]=3 352 B9R1.6 O=C(O)C1CCNCC1 Z104474390 [0,0,0,0,0,1|1,0,0]=2 353 B9R1.6 O=C(O)C1CCOCC1 Z85923421 [0,0,0,0,0,1|1,0,0]=2 354 B9R1.6 O=C(O)C1CCSCC1 Z826531634 [0,0,0,0,0,1|1,0,0]=2 355 B9R1.6 O=C(O)C1CCSCN1 Z1235963996 [0,0,0,0,0,1|1,0,0]=2 356 B9R1.6 O=C(O)C1CN=CNC1 Z2327883697 [0,0,0,0,0,1|2,0,1]=4 357 B9R1.6 O=C(O)C1CNCCN1 Z1273089259 [0,0,0,0,0,1|1,0,0]=2 358 B9R1.6 O=C(O)C1COCCN1 Z1255387606 [0,0,0,0,0,1|1,0,0]=2 359 B9R1.6 O=C(O)C1COCCO1 Z362763682 [0,0,0,0,0,1|0,0,0]=1 360 B9R1.6 O=C(O)C1CSCCS1 Z147642878 [0,0,0,0,0,1|0,1,0]=2 361 B9R1.6 O=C(O)C1SCCCS1 Z275241266 [0,0,0,0,0,1|0,1,0]=2 362 B9R1.6 O=C(O)C1SCSCS1 Z221524182 [0,0,0,0,0,1|1,1,0]=3 363 B9R1.6 O=C(O)[C@@H]1CCCCN1 Z1033300646 [0,0,0,0,0,1|1,0,0]=2 364 B9R1.6 O=C([O-])C1CCC=CO1 Z1592042421 [0,0,0,0,0,1|0,0,2]=3 365 B9R1.6 OB(O)C1CCCCC1 Z56789446 [0,0,0,0,0,1|2,0,1]=4 366 B9R1.13 CC(=O)CC1CCCO1 Z513734588 [0,0,0,0,0,1|1,0,0]=2 367 B9R1.13 CC(=O)CC1CCOC1 Z1321971717 [0,0,0,0,0,1|3,0,0]=4 368 B9R1.13 CC(=O)NC1CCCC1 Z32413858 [0,0,0,0,0,1|2,0,0]=3 369 B9R1.13 CC(=O)OC1CCNC1 Z1201627165 [0,0,0,0,0,1|3,0,0]=4 370 B9R1.13 CC(N)CC1CCCO1 Z513796812 [0,0,0,0,0,1|2,0,1]=4 371 B9R1.13 CC(O)CC1CCCN1 Z1203731942 [0,0,0,0,0,1|2,0,1]=4 372 B9R1.13 N=C(N)CC1CCCC1 Z2092177104 [0,0,0,0,0,1|3,0,0]=4 373 B9R1.13 NC(=NC1CCCC1)N Z1269638443 [0,0,0,0,0,1|3,0,0]=4 374 B9R1.13 NC(=O)C=C1CCCC1 Z741560360 [0,0,0,0,0,1|2,0,1]=4 375 B9R1.13 NC(=O)CC1CCCC1 Z33546662 [0,0,0,0,0,1|2,0,0]=3 376 B9R1.13 NC(=O)CC1CCCN1 Z1459435572 [0,0,0,0,0,1|2,0,0]=3 377 B9R1.13 NC(=O)CN1CCCC1 Z1184886892 [0,0,0,0,0,1|3,0,0]=4 378 B9R1.13 NC(=O)NC1CCCC1 Z56896930 [0,0,0,0,0,1|2,0,0]=3 379 B9R1.13 NC(=O)NC1CCNC1 Z1551475943 [0,0,0,0,0,1|3,0,0]=4 380 B9R1.13 O=C(O)C=C1CCCC1 Z352748244 [0,0,0,0,0,1|1,0,1]=3 381 B9R1.13 O=C(O)CC1C=CCC1 Z104507506 [0,0,0,0,0,1|1,0,1]=3 382 B9R1.13 O=C(O)CC1CCCC1 Z104477042 [0,0,0,0,0,1|1,0,0]=2 383 B9R1.13 O=C(O)CC1CCCN1 Z1480642793 [0,0,0,0,0,1|1,0,0]=2 384 B9R1.13 O=C(O)CC1CCNC1 Z1863617764 [0,0,0,0,0,1|2,0,0]=3 385 B9R1.13 O=C(O)CC1CCOC1 Z825745916 [0,0,0,0,0,1|2,0,0]=3 386 B9R1.13 O=C(O)CC1OCCO1 Z1205496445 [0,0,0,0,0,1|1,0,0]=2 387 B9R1.13 O=C(O)CN1CCCC1 Z197269292 [0,0,0,0,0,1|2,0,0]=3 388 B9R1.13 O=C(O)C[C@@H]1CCCO1 Z1862025858 [0,0,0,0,0,1|0,0,0]=1 389 B9R1.13 O=C(O)C[C@H]1CCOC1 Z1205495408 [0,0,0,0,0,1|2,0,0]=3 390 B9R1.13 OB(O)CC1CCCC1 Z1147227856 [0,0,0,0,0,1|2,0,1]=4 391 B6R0.4 C#CCCC(=O)O Z295890062 [1,0,1,0,0,0|0,0,2]=4 392 B6R0.4 C=CCCC(=O)O Z995028722 [1,0,1,0,0,0|0,0,2]=4 393 B6R0.4 CC(=O)OCCN Z1973465551 [1,0,1,0,0,0|2,0,0]=4 394 B6R0.4 CC/C=C/C(=O)O Z2311573931 [1,0,1,0,0,0|0,0,2]=4 395 B6R0.4 CCC#CC(=O)O Z1205493735 [1,0,1,0,0,0|0,0,2]=4 396 B6R0.4 CCCCB(O)O Z1147227739 [1,0,1,0,0,0|1,0,1]=4 397 B6R0.4 CCCCC(=N)N Z1723418909 [1,0,1,0,0,0|2,0,0]=4 398 B6R0.4 CCCCC(=O)N Z104476278 [1,0,1,0,0,0|1,0,0]=3 399 B6R0.4 CCCCC(=O)O Z104473312 [1,0,1,0,0,0|0,0,0]=2 400 B6R0.4 CCCNC(=O)C Z33030314 [1,0,1,0,0,0|2,0,0]=4 401 B6R0.4 CCCOC(=O)N Z1198148877 [1,0,1,0,0,0|1,0,0]=3 402 B6R0.4 CCNCC(=O)N Z1459435506 [1,0,1,0,0,0|2,0,0]=4 403 B6R0.4 CCNCC(=O)O Z744593094 [1,0,1,0,0,0|1,0,0]=3 404 B6R0.4 CCOCC(=O)O Z104495232 [1,0,1,0,0,0|0,0,0]=2 405 B6R0.4 CNCCC(=O)C Z1536943318 [1,0,1,0,0,0|2,0,0]=4 406 B6R0.4 COCCC(=O)C Z362119682 [1,0,1,0,0,0|2,0,0]=4 407 B6R0.4 COCCC(=O)N Z394696458 [1,0,1,0,0,0|2,0,0]=4 408 B6R0.4 COCCC(=O)O Z285184634 [1,0,1,0,0,0|1,0,0]=3 409 B6R0.4 CSCCC(=O)O Z54719251 [1,0,1,0,0,0|1,0,0]=3 410 B6R0.4 NC(=O)CCCO Z1203578394 [1,0,1,0,0,0|1,0,0]=3 411 B6R0.4 NC(=O)OCCO Z1198158440 [1,0,1,0,0,0|2,0,0]=4 412 B6R0.4 NCCCC(=O)N Z398513418 [1,0,1,0,0,0|2,0,0]=4 413 B6R0.4 NCCCC(=O)O Z104475620 [1,0,1,0,0,0|1,0,0]=3 414 B6R0.4 NCCCS(=O)O Z1203579399 [1,0,1,0,0,0|2,0,0]=4 415 B6R0.4 NCCOC(=O)N Z1587257433 [1,0,1,0,0,0|2,0,0]=4 416 B6R0.4 O=C(O)/C=C/CO Z3178016098 [1,0,1,0,0,0|0,0,2]=4 417 B6R0.4 O=C(O)C#CCO Z1198169479 [1,0,1,0,0,0|0,0,2]=4 418 B6R0.4 O=C(O)CCCS Z147642510 [1,0,1,0,0,0|0,1,0]=3 419 B6R0.6 C=CCCCCN Z1198160046 [1,0,1,0,0,0|2,0,0]=4 420 B6R0.6 C=CCNCCO Z137800938 [1,0,1,0,0,0|2,0,0]=4 421 B6R0.6 C=CCOCCN Z976678988 [1,0,1,0,0,0|2,0,0]=4 422 B6R0.6 CCCCCCO Z104473568 [1,0,1,0,0,0|1,0,1]=4 423 B6R0.6 CCCOCCN Z4449042604 [1,0,1,0,0,0|1,0,1]=4 424 B6R0.6 CNCCCCO Z839096662 [1,0,1,0,0,0|2,0,0]=4 425 B6R0.6 COCCCCO Z431605254 [1,0,1,0,0,0|2,0,0]=4 426 B6R0.6 N#CCCCCO Z431952150 [1,0,1,0,0,0|1,0,1]=4 427 B6R0.6 O=CCCCC=O Z57127529 [1,0,1,0,0,0|0,0,2]=4 428 B6R0.6 OCCNCCO Z104475196 [1,0,1,0,0,0|1,0,1]=4 429 B6R0.1 CCCC(O)CN Z419084742 [1,0,1,0,0,0|1,0,1]=4 430 B6R0.1 CCOC(C)CN Z844631802 [1,0,1,0,0,0|1,0,1]=4 431 B6R0.1 CNC[C@H](O)CO Z600533638 [1,0,1,0,0,0|1,0,1]=4 432 B6R0.1 CSCC(O)CO Z1126770422 [1,0,1,0,0,0|1,0,1]=4 433 B6R0.3 CC(C#N)C(=O)O Z852759720 [1,0,1,0,0,0|1,0,1]=4 434 B6R0.3 CC(CN)C(=O)O Z431542704 [1,0,1,0,0,0|1,0,0]=3 435 B6R0.3 CC(CO)C(=O)O Z431541400 [1,0,1,0,0,0|1,0,0]=3 436 B6R0.3 CCC(C)C(=N)N Z823287482 [1,0,1,0,0,0|2,0,0]=4 437 B6R0.3 CCC(C)C(=O)N Z270978420 [1,0,1,0,0,0|1,0,0]=3 438 B6R0.3 CCC(C)C(=O)O Z237374874 [1,0,1,0,0,0|0,0,0]=2 439 B6R0.3 CCC(N)C(=O)O Z104495144 [1,0,1,0,0,0|1,0,0]=3 440 B6R0.3 CCC(O)C(=O)N Z965049008 [1,0,1,0,0,0|1,0,0]=3 441 B6R0.3 CCC(O)C(=O)O Z246073650 [1,0,1,0,0,0|0,0,0]=2 442 B6R0.3 CCC(O)C(C)O Z1251352132 [1,0,1,0,0,0|1,0,1]=4 443 B6R0.3 CC[C@@H](N)C(=O)O Z904976986 [1,0,1,0,0,0|1,0,0]=3 444 B6R0.3 CC[C@H](C)C(=O)O Z1205493564 [1,0,1,0,0,0|0,0,0]=2 445 B6R0.3 CC[C@H](N)C(=O)O Z1741965569 [1,0,1,0,0,0|1,0,0]=3 446 B6R0.3 CNC(C)C(=O)O Z1278590830 [1,0,1,0,0,0|1,0,0]=3 447 B6R0.3 CN[C@@H](C)C(=O)N Z2143576643 [1,0,1,0,0,0|2,0,0]=4 448 B6R0.3 COC(C)C(=N)N Z1365534351 [1,0,1,0,0,0|2,0,0]=4 449 B6R0.3 COC(C)C(=O)C Z447898138 [1,0,1,0,0,0|1,0,0]=3 450 B6R0.3 COC(C)C(=O)N Z223645218 [1,0,1,0,0,0|1,0,0]=3 451 B6R0.3 COC(C)C(=O)O Z316258898 [1,0,1,0,0,0|0,0,0]=2 452 B6R0.3 CSC(C)C(=O)O Z149191750 [1,0,1,0,0,0|0,1,0]=3 453 B6R0.3 NC(CO)C(=O)O Z57396986 [1,0,1,0,0,0|2,0,0]=4 454 B6R0.3 NC(CS)C(=O)O Z966690626 [1,0,1,0,0,0|2,0,0]=4 455 B6R0.3 NCC(N)C(=O)O Z2465863279 [1,0,1,0,0,0|2,0,0]=4 456 B6R0.3 NCC(O)C(=O)N Z1889902538 [1,0,1,0,0,0|2,0,0]=4 457 B6R0.3 NC[C@@H](F)C(=O)O Z2695741427 [1,0,1,0,0,0|2,0,0]=4 458 B6R0.3 N[C@@H](CO)C(=O)O Z756440058 [1,0,1,0,0,0|2,0,0]=4 459 B6R0.3 N[C@@H](CS)C(=O)O Z760035162 [1,0,1,0,0,0|2,0,0]=4 460 B6R0.3 N[C@H](CO)C(=O)O Z1070067572 [1,0,1,0,0,0|2,0,0]=4 461 B6R0.9 CCC(C#N)OC Z851010100 [1,0,1,0,0,0|1,0,1]=4 462 B6R0.9 CCC(CN)OC Z2168541798 [1,0,1,0,0,0|1,0,1]=4 463 B6R0.9 CCC(CO)OC Z1255373272 [1,0,1,0,0,0|0,0,1]=3 464 B6R1.2 CC1CCCN1 Z1274177652 [2,0,0,0,0,0|1,0,1]=4 465 B6R1.2 O=C1CCCN1 Z104472846 [2,0,0,0,0,0|1,0,1]=4 466 B6R1.2 O=C1NCCO1 Z104474784 [2,0,0,0,0,0|1,0,1]=4 467 B6R1.2 O=C1OCCO1 Z1172235744 [2,0,0,0,0,0|1,0,1]=4 468 B6R1.2 O=S1CCCC1 Z278052312 [2,0,0,0,0,0|2,0,0]=4 469 B6R1.2 OC1C=CCC1 Z1255485846 [2,0,0,0,0,0|1,0,1]=4 470 B6R1.2 OC1CCOC1 Z1124541349 [2,0,0,0,0,0|2,0,0]=4 471 B6R1.2 OC1CCSC1 Z335244836 [2,0,0,0,0,0|2,0,0]=4 472 B6R1.2 O[C@@H]1CCNC1 Z1263714129 [2,0,0,0,0,0|2,0,0]=4 473 B6R1.2 O[C@H]1CCNC1 Z1263714116 [2,0,0,0,0,0|2,0,0]=4 474 B8R0.5 CC(CCN)CC(=O)O Z1442184827 [0,1,1,0,0,0|1,0,0]=3 475 B8R0.5 CCC/C(=C/C(=O)O)/C Z352746820 [0,1,1,0,0,0|1,0,1]=4 476 B8R0.5 CCCC(C)CC(=O)O Z352782810 [0,1,1,0,0,0|1,0,0]=3 477 B8R0.5 CCCC(O)CC(=O)O Z982132146 [0,1,1,0,0,0|1,0,0]=3 478 B8R0.5 CCCN(C)CC(=O)O Z1259273358 [0,1,1,0,0,0|1,0,0]=3 479 B8R0.5 CCNC(C)CC(=O)O Z1259161935 [0,1,1,0,0,0|2,0,0]=4 480 B8R0.5 COCC(C)CC(=O)O Z992443864 [0,1,1,0,0,0|2,0,0]=4 481 B8R0.6 C=CCOCC(=O)OC Z362807786 [0,1,1,0,0,0|0,0,2]=4 482 B8R0.6 CCCCCC(=O)NO Z59181978 [0,1,1,0,0,0|1,0,0]=3 483 B8R0.6 CCCCOC(=O)OC Z1238573230 [0,1,1,0,0,0|2,0,0]=4 484 B8R0.6 CCCNCC(=O)NC Z104884728 [0,1,1,0,0,0|2,0,0]=4 485 B8R0.6 CCCNCC(=O)OC Z1836338844 [0,1,1,0,0,0|1,0,0]=3 486 B8R0.6 CNC(=O)CCCCN Z5282835224 [0,1,1,0,0,0|2,0,0]=4 487 B8R0.6 CNC(=O)COCCN Z1457935024 [0,1,1,0,0,0|2,0,0]=4 488 B8R0.6 CNC(=O)NCCCO Z177090148 [0,1,1,0,0,0|2,0,0]=4 489 B8R0.6 CNCCCC(=O)OC Z415636552 [0,1,1,0,0,0|2,0,0]=4 490 B8R0.6 COC(=O)CCCC#N Z415715362 [0,1,1,0,0,0|1,0,1]=4 491 B8R0.6 COC(=O)CCCCN Z854942764 [0,1,1,0,0,0|1,0,0]=3 492 B8R0.6 COC(=O)NCCCN Z3772660622 [0,1,1,0,0,0|2,0,0]=4 493 B8R0.7 C#CCCNCC(=O)O Z4916843541 [0,1,1,0,0,0|1,0,1]=4 494 B8R0.7 C#CCCOCC(=O)O Z1205655947 [0,1,1,0,0,0|0,0,1]=3 495 B8R0.7 C#CCOCCC(=O)O Z362807240 [0,1,1,0,0,0|0,0,2]=4 496 B8R0.7 C=CCCOCC(=O)O Z362807886 [0,1,1,0,0,0|0,0,1]=3 497 B8R0.7 C=CCNCCC(=O)O Z3388124649 [0,1,1,0,0,0|1,0,1]=4 498 B8R0.7 CC#CCCCC(=O)O Z1205494323 [0,1,1,0,0,0|1,0,1]=4 499 B8R0.7 CC#CCNCC(=O)O Z4923954034 [0,1,1,0,0,0|1,0,1]=4 500 B8R0.7 CC(=O)CCCCC#N Z2350907379 [0,1,1,0,0,0|2,0,0]=4 501 B8R0.7 CC(=O)NCCCCN Z600498842 [0,1,1,0,0,0|2,0,0]=4 502 B8R0.7 CCCCCCC(=O)O Z104474412 [0,1,1,0,0,0|1,0,0]=3 503 B8R0.7 CCCCNCC(=O)N Z398513412 [0,1,1,0,0,0|2,0,0]=4 504 B8R0.7 CCCCOCC(=O)O Z409190912 [0,1,1,0,0,0|0,0,0]=2 505 B8R0.7 CCCCSCC(=O)O Z239951532 [0,1,1,0,0,0|0,1,0]=3 506 B8R0.7 CCCNCCC(=O)O Z2944330072 [0,1,1,0,0,0|1,0,0]=3 507 B8R0.7 CCNCCCC(=O)O Z2937339976 [0,1,1,0,0,0|1,0,0]=3 508 B8R0.7 CCOCCCC(=O)O Z316258950 [0,1,1,0,0,0|1,0,0]=3 509 B8R0.7 CNCCCCC(=O)O Z3034937142 [0,1,1,0,0,0|1,0,0]=3 510 B8R0.7 COCCCCC(=O)O Z362633826 [0,1,1,0,0,0|0,0,0]=2 511 B8R0.7 COCCCNC(=O)N Z56979275 [0,1,1,0,0,0|2,0,0]=4 512 B8R0.7 COCCCOC(=O)C Z1123440688 [0,1,1,0,0,0|2,0,0]=4 513 B8R0.7 COCCNCC(=O)N Z1262250392 [0,1,1,0,0,0|2,0,0]=4 514 B8R0.7 COCCNCC(=O)O Z1276446903 [0,1,1,0,0,0|1,0,0]=3 515 B8R0.7 COCCOCC(=O)C Z447894346 [0,1,1,0,0,0|1,0,0]=3 516 B8R0.7 COCCOCC(=O)O Z104477918 [0,1,1,0,0,0|0,0,0]=2 517 B8R0.7 COCCSCC(=O)O Z167837764 [0,1,1,0,0,0|0,1,0]=3 518 B8R0.7 CSCCCCC(=O)O Z732206636 [0,1,1,0,0,0|0,1,0]=3 519 B8R0.7 CSCCNCC(=O)O Z2512524162 [0,1,1,0,0,0|1,0,0]=3 520 B8R0.7 N#CCCSCC(=O)O Z1205494587 [0,1,1,0,0,0|0,1,1]=4 521 B8R0.7 NCCCCCC(=O)O Z1272730910 [0,1,1,0,0,0|1,0,0]=3 522 B8R0.7 NCCCOCC(=O)O Z3178895188 [0,1,1,0,0,0|0,0,0]=2 523 B8R0.7 NCCOCCC(=O)O Z1262546494 [0,1,1,0,0,0|1,0,0]=3 524 B8R0.7 O=C(O)CCCCCBr Z104477716 [0,1,1,0,0,0|1,0,0]=3 525 B8R0.7 O=C(O)CCCCCF Z1205494157 [0,1,1,0,0,0|1,0,0]=3 526 B8R0.7 O=C(O)CCNCCO Z53116574 [0,1,1,0,0,0|0,0,0]=2 527 B8R0.7 O=C([O-])CNCCCO Z5147896273 [0,1,1,0,0,0|0,0,1]=3 528 B8R0.8 C#CCOC(C)C(=O)O Z362807268 [0,1,1,0,0,0|0,0,2]=4 529 B8R0.8 C=CCCC(N)C(=O)O Z1703167872 [0,1,1,0,0,0|1,0,1]=4 530 B8R0.8 C=CCOC(C)C(=O)O Z362807816 [0,1,1,0,0,0|0,0,2]=4 531 B8R0.8 CCCCC(C)C(=O)C Z727719632 [0,1,1,0,0,0|2,0,0]=4 532 B8R0.8 CCCCC(C)C(=O)O Z756390480 [0,1,1,0,0,0|1,0,0]=3 533 B8R0.8 CCCCC(N)C(=O)O Z57127434 [0,1,1,0,0,0|1,0,0]=3 534 B8R0.8 CCCCC(O)C(=O)O Z803065156 [0,1,1,0,0,0|1,0,0]=3 535 B8R0.8 CCCC[C@@H](N)C(=O)O Z1203578064 [0,1,1,0,0,0|1,0,0]=3 536 B8R0.8 CCCC[C@H](N)C(=O)O Z1203162297 [0,1,1,0,0,0|1,0,0]=3 537 B8R0.8 CCOCC(C)C(=O)O Z431541098 [0,1,1,0,0,0|2,0,0]=4 538 B8R0.8 CCOC[C@@H](N)C(=O)O Z2418414224 [0,1,1,0,0,0|2,0,0]=4 539 B8R0.8 COCCC(C)C(=O)O Z756390554 [0,1,1,0,0,0|2,0,0]=4 540 B8R0.8 COCCC(N)C(=O)O Z317025018 [0,1,1,0,0,0|2,0,0]=4 541 B8R0.8 CSCCC(N)C(=O)O Z57127440 [0,1,1,0,0,0|2,0,0]=4 542 B8R0.8 CSCCC(O)C(=O)O Z788000926 [0,1,1,0,0,0|2,0,0]=4 543 B8R0.8 CSCC[C@@H](N)C(=O)O Z1147215595 [0,1,1,0,0,0|2,0,0]=4 544 B8R0.8 CSCC[C@H](N)C(=O)O Z756440050 [0,1,1,0,0,0|2,0,0]=4 545 B8R0.8 NCCCC(N)C(=O)O Z104476736 [0,1,1,0,0,0|1,0,0]=3 546 B8R0.8 NCCC[C@@H](N)C(=O)O Z1276446907 [0,1,1,0,0,0|1,0,0]=3 547 B8R0.8 NCCC[C@H](N)C(=O)O Z991547388 [0,1,1,0,0,0|1,0,0]=3 548 B8R0.8 NOCC[C@H](N)C(=O)O Z2941378358 [0,1,1,0,0,0|2,0,0]=4 549 B8R0.8 O=C([O-])C(O)CCCO Z2510259022 [0,1,1,0,0,0|0,0,1]=3 550 B8R0.9 C=CC(N)CCC(=O)O Z1255431434 [0,1,1,0,0,0|1,0,1]=4 551 B8R0.9 CC(CN)CCC(=O)O Z1739254655 [0,1,1,0,0,0|1,0,0]=3 552 B8R0.9 CCC(=O)CCC(=O)O Z838955680 [0,1,1,0,0,0|1,0,1]=4 553 B8R0.9 CCC(=O)NCC(=O)O Z85886715 [0,1,1,0,0,0|1,0,1]=4 554 B8R0.9 CCC(C)CCC(=O)C Z955111260 [0,1,1,0,0,0|2,0,0]=4 555 B8R0.9 CCC(C)CCC(=O)O Z955111774 [0,1,1,0,0,0|1,0,0]=3 556 B8R0.9 CCC(C)NCC(=O)O Z425484950 [0,1,1,0,0,0|1,0,0]=3 557 B8R0.9 CCC(C)OCC(=O)O Z839103364 [0,1,1,0,0,0|0,0,0]=2 558 B8R0.9 CCN(C)CCC(=O)O Z1259335747 [0,1,1,0,0,0|2,0,0]=4 559 B8R0.9 COC(C)CCC(=O)O Z963595334 [0,1,1,0,0,0|2,0,0]=4 560 B8R0.9 CSC(C)CCC(=O)O Z963595804 [0,1,1,0,0,0|2,0,0]=4 561 B8R0.9 NCC(=O)CCC(=O)O Z1741972992 [0,1,1,0,0,0|1,0,1]=4 562 B8R0.9 NCC(N)CCC(=O)O Z1259335825 [0,1,1,0,0,0|1,0,0]=3 563 B8R0.21 CC(C)(O)CCCCO Z1725965028 [0,1,1,0,0,0|1,0,1]=4 564 B8R0.21 NCCCCS(=O)(=O)O Z1262622810 [0,1,1,0,0,0|2,0,0]=4 565 B8R0.28 CC(=O)CCCC(=O)O Z147652222 [0,1,1,0,0,0|0,0,2]=4 566 B8R0.28 CC(C)CCCC(=O)O Z426022098 [0,1,1,0,0,0|1,0,0]=3 567 B8R0.28 CC(C)CNCC(=O)N Z234894923 [0,1,1,0,0,0|2,0,0]=4 568 B8R0.28 CC(C)CNCC(=O)O Z1259273209 [0,1,1,0,0,0|1,0,0]=3 569 B8R0.28 CC(C)CSCC(=O)O Z96112845 [0,1,1,0,0,0|0,1,0]=3 570 B8R0.28 CC(C)NCCC(=O)O Z235348215 [0,1,1,0,0,0|2,0,0]=4 571 B8R0.28 CC(C)OCCC(=O)O Z316259248 [0,1,1,0,0,0|2,0,0]=4 572 B8R0.28 CC(N)CCCC(=O)O Z1551469174 [0,1,1,0,0,0|1,0,0]=3 573 B8R0.28 CC(N)COCC(=O)O Z3789755599 [0,1,1,0,0,0|0,0,0]=2 574 B8R0.28 CC(O)CCCC(=O)[O-] Z1762997411 [0,1,1,0,0,0|0,0,1]=3 575 B8R0.28 CC(O)CNCC(=O)[O-] Z3690977946 [0,1,1,0,0,0|1,0,1]=4 576 B8R0.28 NC(=O)CCCC(=O)O Z336080698 [0,1,1,0,0,0|0,0,2]=4 577 B8R0.28 O=C(O)CCCC(=O)O Z57127454 [0,1,1,0,0,0|0,0,1]=3 578 B8R0.28 O=C(O)CNCC(=O)O Z104476528 [0,1,1,0,0,0|1,0,1]=4 579 B8R0.28 O=C(O)COCC(=O)O Z57965384 [0,1,1,0,0,0|1,0,1]=4 580 B8R0.28 O=C(O)CSCC(=O)O Z104478584 [0,1,1,0,0,0|1,0,1]=4 581 B8R0.2 CC(CN)C(F)C(=O)O Z3556611783 [0,1,1,0,0,0|2,0,0]=4 582 B8R0.2 CC/C(=C(\C)/C(=O)O)/C Z1642058353 [0,1,1,0,0,0|1,0,1]=4 583 B8R0.2 CCC(C)C(=O)C(=O)O Z1205493610 [0,1,1,0,0,0|0,0,2]=4 584 B8R0.2 CCC(C)C(C)C(=O)O Z792363910 [0,1,1,0,0,0|1,0,0]=3 585 B8R0.2 CCC(C)C(N)C(=O)N Z56979347 [0,1,1,0,0,0|2,0,0]=4 586 B8R0.2 CCC(C)C(N)C(=O)O Z104473608 [0,1,1,0,0,0|1,0,0]=3 587 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O Z1203578023 [0,1,1,0,0,0|1,0,0]=3 588 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O Z1203578040 [0,1,1,0,0,0|1,0,0]=3 589 B8R0.2 CC[C@@H](O)[C@@H](C)C(=O)O Z1205494177 [0,1,1,0,0,0|1,0,0]=3 590 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O Z1201618644 [0,1,1,0,0,0|1,0,0]=3 591 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O Z756427442 [0,1,1,0,0,0|1,0,0]=3 592 B8R0.2 COC(C)C(O)C(=O)O Z1509040637 [0,1,1,0,0,0|1,0,0]=3 593 B8R0.2 CSC(C)C(N)C(=O)O Z4511736963 [0,1,1,0,0,0|2,0,0]=4 594 B8R0.2 CSC(C)C(O)C(=O)O Z2787457174 [0,1,1,0,0,0|1,0,0]=3 595 B8R0.2 NC[C@@H](O)[C@@H](O)C(=O)O Z3270796459 [0,1,1,0,0,0|1,0,0]=3 596 B8R0.3 CCCC(C)C(=O)CC Z1138187109 [0,1,1,0,0,0|2,0,0]=4 597 B8R0.3 CCCC(N)C(=O)NC Z1449756374 [0,1,1,0,0,0|2,0,0]=4 598 B8R0.3 CCCC(N)C(=O)NO Z1184862965 [0,1,1,0,0,0|1,0,0]=3 599 B8R0.3 CCCC(N)C(=O)OC Z1592042299 [0,1,1,0,0,0|1,0,0]=3 600 B8R0.3 CCNC(C)C(=O)NC Z2753753273 [0,1,1,0,0,0|2,0,0]=4 601 B8R0.3 COC(=O)C(C)CCN Z3025061158 [0,1,1,0,0,0|2,0,0]=4 602 B8R0.12 CC(C)(CCN)C(=O)O Z1198151185 [0,1,1,0,0,0|2,0,0]=4 603 B8R0.12 CC(N)(CCF)C(=O)O Z2509305784 [0,1,1,0,0,0|2,0,0]=4 604 B8R0.12 CCCC(C)(C)C(=O)N Z1198157529 [0,1,1,0,0,0|2,0,0]=4 605 B8R0.12 CCCC(C)(N)C(=O)O Z317024732 [0,1,1,0,0,0|1,0,0]=3 606 B8R0.12 CCCC(C)(O)C(=O)O Z788000960 [0,1,1,0,0,0|0,0,0]=2 607 B8R0.12 CCNC(C)(C)C(=O)O Z1259161934 [0,1,1,0,0,0|1,0,0]=3 608 B8R0.12 COCC(C)(C)C(=O)O Z1198275672 [0,1,1,0,0,0|2,0,0]=4 609 B8R0.12 COCC(C)(N)C(=O)O Z1346385711 [0,1,1,0,0,0|2,0,0]=4 610 B8R0.12 COCC(C)(O)C(=O)O Z992448466 [0,1,1,0,0,0|1,0,0]=3 611 B8R0.12 CSCC(C)(C)C(=O)O Z1205494330 [0,1,1,0,0,0|2,0,0]=4 612 B8R0.12 NCCC(F)(F)C(=O)O Z2310718931 [0,1,1,0,0,0|2,0,0]=4 613 B8R0.15 CCCC(CC)C(=O)O Z756391368 [0,1,1,0,0,0|1,0,0]=3 614 B8R0.15 CCCC(CN)C(=O)O Z970060188 [0,1,1,0,0,0|1,0,0]=3 615 B8R0.15 CCCC(OC)C(=O)O Z1201627136 [0,1,1,0,0,0|0,0,0]=2 616 B8R0.15 CCNC(CC)C(=O)O Z3271143096 [0,1,1,0,0,0|1,0,0]=3 617 B8R0.15 CCNC(CO)C(=O)O Z4780865118 [0,1,1,0,0,0|1,0,0]=3 618 B8R0.15 CCOC(CC)C(=O)O Z449367060 [0,1,1,0,0,0|0,0,0]=2 619 B8R0.15 CNC(COC)C(=O)O Z1250132318 [0,1,1,0,0,0|2,0,0]=4 620 B8R0.23 C=C(C)CC(N)C(=O)O Z317024962 [0,1,1,0,0,0|1,0,1]=4 621 B8R0.23 CC(=O)NC(C)C(=O)O Z104483794 [0,1,1,0,0,0|1,0,1]=4 622 B8R0.23 CC(=O)N[C@@H](C)C(=O)O Z98655371 [0,1,1,0,0,0|1,0,1]=4 623 B8R0.23 CC(=O)N[C@H](C)C(=O)O Z829930658 [0,1,1,0,0,0|1,0,1]=4 624 B8R0.23 CC(C)CC(=O)C(=O)O Z975823226 [0,1,1,0,0,0|0,0,2]=4 625 B8R0.23 CC(C)CC(C)C(=O)O Z756390494 [0,1,1,0,0,0|1,0,0]=3 626 B8R0.23 CC(C)CC(N)C(=O)O Z57127546 [0,1,1,0,0,0|1,0,0]=3 627 B8R0.23 CC(C)C[C@@H](N)C(=O)O Z850973972 [0,1,1,0,0,0|1,0,0]=3 628 B8R0.23 CC(C)C[C@H](N)C(=O)O Z756437526 [0,1,1,0,0,0|1,0,0]=3 629 B8R0.23 CC(C)NC(C)C(=O)O Z449368966 [0,1,1,0,0,0|1,0,0]=3 630 B8R0.23 CC(C)SC(C)C(=O)O Z214845364 [0,1,1,0,0,0|0,1,0]=3 631 B8R0.23 CC(CC(F)F)C(=O)O Z1198342616 [0,1,1,0,0,0|2,0,0]=4 632 B8R0.23 CC(CN(C)C)C(=O)O Z2106602539 [0,1,1,0,0,0|2,0,0]=4 633 B8R0.23 CC(CS(=O)C)C(=O)O Z802572188 [0,1,1,0,0,0|2,0,0]=4 634 B8R0.23 CC(N)CC(C)C(=O)O Z5272192378 [0,1,1,0,0,0|1,0,0]=3 635 B8R0.23 CN(C)CC(O)C(=O)O Z1205494800 [0,1,1,0,0,0|1,0,0]=3 636 B8R0.23 NC(CC(F)F)C(=O)O Z1250080925 [0,1,1,0,0,0|2,0,0]=4 637 B8R0.23 O=C(O)CC(O)C(=O)O Z104473230 [0,1,1,0,0,0|1,0,1]=4 638 B8R0.23 O=C(O)C[C@@H](O)C(=O)O Z1205493568 [0,1,1,0,0,0|1,0,1]=4 639 B8R0.23 O=C(O)C[C@H](O)C(=O)O Z1201618618 [0,1,1,0,0,0|1,0,1]=4 640 B8R0.18 CC(C)C(CN)C(=O)O Z1259162105 [0,1,1,0,0,0|2,0,0]=4 641 B8R0.18 CC(C)C(CO)C(=O)O Z1205494781 [0,1,1,0,0,0|2,0,0]=4 642 B8R0.18 CCC(C(=O)C)C(=O)C Z119984130 [0,1,1,0,0,0|2,0,0]=4 643 B8R0.18 CCC(C(=O)O)N(C)C Z1431904010 [0,1,1,0,0,0|1,0,0]=3 644 B8R0.18 CSC(C(=O)O)C(C)C Z732206602 [0,1,1,0,0,0|0,1,0]=3 645 B8R0.20 CCC(CN)C(=O)OC Z2379806941 [0,1,1,0,0,0|2,0,0]=4 646 B8R0.20 CCC(CO)C(=O)OC Z1255448041 [0,1,1,0,0,0|2,0,0]=4 647 B8R0.20 CCC(NC)C(=O)OC Z1770192987 [0,1,1,0,0,0|1,0,0]=3 648 B8R0.20 COC(=O)C(OC)OC Z1013699654 [0,1,1,0,0,0|1,0,0]=3 649 B8R0.36 CCC(C)(C#N)C(=O)O Z1205494421 [0,1,1,0,0,0|2,0,0]=4 650 B8R0.36 CCC(C)(CN)C(=O)O Z2855347040 [0,1,1,0,0,0|2,0,0]=4 651 B8R0.36 CCC(C)(NC)C(=O)O Z4462826616 [0,1,1,0,0,0|1,0,0]=3 652 B8R0.36 CCC(N)(CC)C(=O)N Z1262250884 [0,1,1,0,0,0|2,0,0]=4 653 B8R0.36 COC(C)(OC)C(=O)C Z240126824 [0,1,1,0,0,0|2,0,0]=4 654 B8R1.1 CC1CCC(C1)C=O Z1268606446 [1,1,0,0,0,0|1,0,0]=3 655 B8R1.1 CC1CCC(O1)C#N Z1438313776 [1,1,0,0,0,0|1,0,1]=4 656 B8R1.1 CC1CCC(O1)CN Z1438307598 [1,1,0,0,0,0|1,0,1]=4 657 B8R1.1 OCC1CC(CN1)F Z1753033006 [1,1,0,0,0,0|1,0,1]=4 658 B8R1.8 CNCC1CCCO1 Z137696198 [1,1,0,0,0,0|1,0,1]=4 659 B8R1.8 COCC1CCCN1 Z1342208414 [1,1,0,0,0,0|1,0,1]=4 660 B8R1.8 N#CCC1CCCO1 Z94601183 [1,1,0,0,0,0|1,0,1]=4 661 B8R1.8 NCCC1CCCO1 Z1245635808 [1,1,0,0,0,0|1,0,1]=4 662 B8R1.8 O/N=C/C1CCOC1 Z218486076 [1,1,0,0,0,0|2,0,0]=4 663 B8R1.8 O=C=NC1CCCC1 Z316172554 [1,1,0,0,0,0|1,0,1]=4 664 B8R1.8 O=CCC1CCCC1 Z993017732 [1,1,0,0,0,0|1,0,0]=3 665 B8R1.8 O=CCC1CCCO1 Z1183458964 [1,1,0,0,0,0|0,0,0]=2 666 B8R1.8 O=CCC1CCOC1 Z1138844345 [1,1,0,0,0,0|2,0,0]=4 667 B8R1.8 OCCC1CCCC1 Z397587408 [1,1,0,0,0,0|1,0,1]=4 668 B8R1.8 OCCC1CCCN1 Z1198148537 [1,1,0,0,0,0|1,0,1]=4 669 B8R1.8 OCCC1CCCO1 Z1183459210 [1,1,0,0,0,0|0,0,1]=3 670 B8R1.11 C=C[C@@H]1CCC[C@H]1O Z3015056914 [1,1,0,0,0,0|2,0,0]=4 671 B8R1.11 CC1CCCC1C=O Z1268606470 [1,1,0,0,0,0|1,0,0]=3 672 B8R1.11 CC1CCNC1CO Z1203831515 [1,1,0,0,0,0|1,0,1]=4 673 B8R1.11 CC1OCCC1C=O Z1342837783 [1,1,0,0,0,0|2,0,0]=4 674 B8R1.11 N[C@H]1CCC[C@H]1CO Z1198220662 [1,1,0,0,0,0|1,0,1]=4 675 B8R1.52 C=CC1(CCCC1)N Z3042074267 [1,1,0,0,0,0|2,0,0]=4 676 B8R1.52 CC1(CCCC1)C=O Z1255466724 [1,1,0,0,0,0|1,0,0]=3 677 B8R1.52 CC1(CCCC1)CO Z1255466752 [1,1,0,0,0,0|1,0,1]=4 678 B8R1.52 CC1(CCCO1)C#N Z384972070 [1,1,0,0,0,0|1,0,1]=4 679 B8R1.52 CC1(CCCO1)C=O Z1389061333 [1,1,0,0,0,0|0,0,0]=2 680 B8R1.52 CC1(CCCO1)CN Z1198218662 [1,1,0,0,0,0|1,0,1]=4 681 B8R1.52 CC1(CCCO1)CO Z1389059207 [1,1,0,0,0,0|0,0,1]=3 682 B8R1.52 CC1(CCCS1)C=O Z1455206494 [1,1,0,0,0,0|0,1,0]=3 683 B8R1.52 CC1(CCOC1)C=O Z1511835334 [1,1,0,0,0,0|2,0,0]=4 684 B8R1.52 NC1(CCCC1)CO Z734150968 [1,1,0,0,0,0|1,0,1]=4 685 B8R1.52 O=CC1(CCCC1)Br Z1511865834 [1,1,0,0,0,0|1,0,0]=3 686 B8R1.52 OCC1(CCCC1)O Z1258947137 [1,1,0,0,0,0|1,0,1]=4 687 B8R1.23 CC(=O)N1CC(C1)N Z1154674340 [0,1,0,0,1,0|2,0,0]=4 688 B8R1.23 CC1CC(C1)C(=O)O Z1198158393 [0,1,0,0,1,0|0,0,0]=2 689 B8R1.23 CN1CC(C1)C(=O)O Z1198330195 [0,1,0,0,1,0|1,0,0]=3 690 B8R1.23 NC(=O)C1CC(=O)C1 Z1486002682 [0,1,0,0,1,0|1,0,1]=4 691 B8R1.23 NC(=O)N1CC(C1)N Z3297611731 [0,1,0,0,1,0|2,0,0]=4 692 B8R1.23 NC(=O)N1CC(C1)O Z1090111906 [0,1,0,0,1,0|2,0,0]=4 693 B8R1.23 N[C@H]1C[C@H](C1)C(=O)O Z360056576 [0,1,0,0,1,0|0,0,0]=2 694 B8R1.23 O=C([O-])[C@H]1C[C@@H](C1)O Z4399321929 [0,1,0,0,1,0|0,0,1]=3 695 B8R1.23 O=C1CC(C1)C(=O)O Z235344247 [0,1,0,0,1,0|0,0,1]=3 696 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O Z2471604870 [0,1,0,0,1,0|0,0,0]=2 697 B8R1.31 O=C(O)C1=C(CC1)Cl Z3358630818 [0,1,0,0,1,0|0,0,2]=4 698 B8R1.31 O=C(O)C1CCC1F Z2035936452 [0,1,0,0,1,0|0,0,0]=2 699 B8R1.38 C=CC(=O)N1CCC1 Z440634168 [0,1,0,0,1,0|2,0,0]=4 700 B8R1.38 CC(C=O)C1CCC1 Z1511780485 [0,1,0,0,1,0|1,0,1]=4 701 B8R1.38 CC(CO)C1CCC1 Z1717769985 [0,1,0,0,1,0|1,0,1]=4 702 B8R1.38 CCC(=O)C1CCC1 Z1251352405 [0,1,0,0,1,0|1,0,0]=3 703 B8R1.38 CCC(O)C1CCC1 Z1255407680 [0,1,0,0,1,0|1,0,1]=4 704 B8R1.38 CNC(=O)C1CNC1 Z1651744906 [0,1,0,0,1,0|2,0,0]=4 705 B8R1.38 COC(=O)C1CCC1 Z18374544 [0,1,0,0,1,0|0,0,0]=2 706 B8R1.38 NCC(=O)C1CCC1 Z2568737813 [0,1,0,0,1,0|1,0,0]=3 707 B8R1.38 NCC(O)C1CCC1 Z2238624890 [0,1,0,0,1,0|1,0,1]=4 708 B8R1.38 O=C(CCl)C1CCC1 Z1238572148 [0,1,0,0,1,0|1,0,0]=3 709 B8R1.38 O=C(CCl)N1CCC1 Z57039583 [0,1,0,0,1,0|2,0,0]=4 710 B8R1.55 NS(=O)(=O)C1CCC1 Z1255426083 [0,1,0,0,1,0|1,0,1]=4 711 B8R1.78 CC1(CCC1)C(=O)O Z1205493900 [0,1,0,0,1,0|0,0,0]=2 712 B8R1.78 CC1(CNC1)C(=O)N Z2378828635 [0,1,0,0,1,0|2,0,0]=4 713 B8R1.78 CC1(CNC1)C(=O)O Z3071128920 [0,1,0,0,1,0|1,0,0]=3 714 B8R1.78 CC1(COC1)C(=O)O Z1198234535 [0,1,0,0,1,0|1,0,0]=3 715 B8R1.78 NC(=O)C1(CCC1)N Z1483991927 [0,1,0,0,1,0|1,0,0]=3 716 B8R1.78 NC(=O)C1(CNC1)N Z1262579255 [0,1,0,0,1,0|2,0,0]=4 717 B8R1.78 NC(=O)C1(CNC1)O Z2680628867 [0,1,0,0,1,0|2,0,0]=4 718 B8R1.78 NC1(CCC1)C(=O)O Z1431905448 [0,1,0,0,1,0|0,0,0]=2 719 B8R1.78 NC1(CNC1)C(=O)O Z2867454580 [0,1,0,0,1,0|1,0,0]=3 720 B8R1.78 O=C(O)C1(CCC1)Br Z220564362 [0,1,0,0,1,0|0,0,0]=2 721 B8R1.78 O=C(O)C1(CCC1)O Z220564366 [0,1,0,0,1,0|0,0,0]=2 722 B8R1.78 O=C(O)C1(CNC1)O Z2630949328 [0,1,0,0,1,0|1,0,0]=3 723 B10R1.13 C=C1CCC(CC1)C(=O)O Z1205495278 [0,1,0,0,0,1|1,0,0]=3 724 B10R1.13 CC(=O)C1CCN(CC1)C Z413823920 [0,1,0,0,0,1|2,0,0]=4 725 B10R1.13 CC(=O)[C@H]1CC[C@@H](CC1)N Z1262662148 [0,1,0,0,0,1|2,0,0]=4 726 B10R1.13 CC1=CCC(CC1)C(=O)O Z1205493665 [0,1,0,0,0,1|1,0,1]=4 727 B10R1.13 CC1CCC(CN1)C(=O)N Z300072132 [0,1,0,0,0,1|2,0,0]=4 728 B10R1.13 CC1CCC(CN1)C(=O)O Z3211705986 [0,1,0,0,0,1|1,0,0]=3 729 B10R1.13 CC1CCC(NC1)C(=O)O Z3291973014 [0,1,0,0,0,1|1,0,0]=3 730 B10R1.13 CN1CCC(CC1)C(=O)O Z744843480 [0,1,0,0,0,1|1,0,0]=3 731 B10R1.13 C[C@@H]1CC[C@@H](CN1)C(=O)N Z3302651128 [0,1,0,0,0,1|2,0,0]=4 732 B10R1.13 C[C@@H]1CC[C@@H](CN1)C(=O)O Z3064248894 [0,1,0,0,0,1|1,0,0]=3 733 B10R1.13 C[C@@H]1CC[C@H](NC1)C(=O)O Z3356150537 [0,1,0,0,0,1|1,0,0]=3 734 B10R1.13 C[C@@H]1CN[C@@H](CO1)C(=O)O Z2311241423 [0,1,0,0,0,1|1,0,0]=3 735 B10R1.13 C[C@@H]1CN[C@H](CO1)C(=O)O Z2311241416 [0,1,0,0,0,1|1,0,0]=3 736 B10R1.13 C[C@H]1CC[C@@H](CC1)C(=O)O Z1205493659 [0,1,0,0,0,1|1,0,0]=3 737 B10R1.13 NC(=O)C1CCC(CC1)O Z935127666 [0,1,0,0,0,1|2,0,0]=4 738 B10R1.13 NC(=O)[C@H]1CC[C@H](CC1)N Z4867378872 [0,1,0,0,0,1|2,0,0]=4 739 B10R1.13 NC1=NCC(CC1)C(=O)O Z2378836818 [0,1,0,0,0,1|1,0,1]=4 740 B10R1.13 O=C(O)C1CCC(CC1)O Z336079608 [0,1,0,0,0,1|1,0,0]=3 741 B10R1.13 O=C(O)C1CCC(CN1)O Z1198181269 [0,1,0,0,0,1|1,0,0]=3 742 B10R1.13 O=C(O)[C@@H]1CC[C@H](CN1)F Z3600401699 [0,1,0,0,0,1|1,0,0]=3 743 B10R1.13 O=C1CCC(CC1)C(=O)O Z235352395 [0,1,0,0,0,1|1,0,0]=3 744 B10R1.13 O=C1CCC(CN1)C(=O)O Z317054072 [0,1,0,0,0,1|1,0,1]=4 745 B10R1.13 O=C1CNC(CN1)C(=O)O Z1198278656 [0,1,0,0,0,1|1,0,1]=4 746 B10R1.15 CCC(=O)C1CCCCC1 Z513735268 [0,1,0,0,0,1|2,0,0]=4 747 B10R1.15 CCC(=O)C1CCOCC1 Z1178490123 [0,1,0,0,0,1|2,0,0]=4 748 B10R1.15 CNC(=O)C1CCCCN1 Z234895123 [0,1,0,0,0,1|2,0,0]=4 749 B10R1.15 CNC(=O)C1CCCNC1 Z1266933838 [0,1,0,0,0,1|2,0,0]=4 750 B10R1.15 CNC(=O)C1CCCOC1 Z1081530748 [0,1,0,0,0,1|1,0,0]=3 751 B10R1.15 CNC(=O)C1CCNCC1 Z199451858 [0,1,0,0,0,1|2,0,0]=4 752 B10R1.15 CNC(=O)C1CNCCO1 Z854097264 [0,1,0,0,0,1|1,0,0]=3 753 B10R1.15 CNC(=O)C1COCCN1 Z1457934852 [0,1,0,0,0,1|2,0,0]=4 754 B10R1.15 CNC(=O)[C@@H]1CNCCO1 Z5781505534 [0,1,0,0,0,1|1,0,0]=3 755 B10R1.15 COC(=O)C1C=CCCN1 Z3676740630 [0,1,0,0,0,1|1,0,1]=4 756 B10R1.15 COC(=O)C1CC=CCC1 Z18245232 [0,1,0,0,0,1|1,0,1]=4 757 B10R1.15 COC(=O)C1CC=CCN1 Z3488197781 [0,1,0,0,0,1|1,0,1]=4 758 B10R1.15 COC(=O)C1CCCCS1 Z1413799531 [0,1,0,0,0,1|0,1,0]=3 759 B10R1.15 COC(=O)C1CCSCC1 Z1190142949 [0,1,0,0,0,1|1,0,0]=3 760 B10R1.15 COC(=O)C1CCSCN1 Z4924246834 [0,1,0,0,0,1|1,0,0]=3 761 B10R1.15 COC(=O)C1CNCCO1 Z1359429564 [0,1,0,0,0,1|0,0,0]=2 762 B10R1.15 COC(=O)C1COCCN1 Z1318356904 [0,1,0,0,0,1|1,0,0]=3 763 B10R1.15 COC(=O)C1SCCCS1 Z1255444891 [0,1,0,0,0,1|0,1,0]=3 764 B10R1.15 NC(CO)C1CCCOC1 Z2301534482 [0,1,0,0,0,1|1,0,1]=4 765 B10R1.15 NCC(=O)C1CCOCC1 Z1255430250 [0,1,0,0,0,1|2,0,0]=4 766 B10R1.15 NNC(=O)C1CCCCC1 Z56930714 [0,1,0,0,0,1|2,0,0]=4 767 B10R1.15 O=C(CCl)C1CCCCC1 Z1205657412 [0,1,0,0,0,1|2,0,0]=4 768 B10R1.15 O=C(CCl)C1CCCCO1 Z1205660981 [0,1,0,0,0,1|1,0,0]=3 769 B10R1.15 O=C(CCl)C1CCOCC1 Z1386913549 [0,1,0,0,0,1|2,0,0]=4 770 B10R1.15 O=C(CCl)C1COCCO1 Z1386913817 [0,1,0,0,0,1|1,0,0]=3 771 B10R1.15 O=C(CO)N1CCOCC1 Z431952730 [0,1,0,0,0,1|2,0,0]=4 772 B10R1.15 OC[C@H](O)[C@@H]1CNCCO1 Z2768134926 [0,1,0,0,0,1|0,0,2]=4 773 B10R1.28 CC(C)(O)C1CNCCO1 Z3780854675 [0,1,0,0,0,1|1,0,1]=4 774 B10R1.28 NS(=O)(=O)C1CCCOC1 Z1203154348 [0,1,0,0,0,1|1,0,1]=4 775 B10R1.28 O=S(=O)(O)C1CCCNC1 Z1255420883 [0,1,0,0,0,1|2,0,0]=4 776 B10R1.61 CC(=O)C1CCCCC1C Z1276728280 [0,1,0,0,0,1|2,0,0]=4 777 B10R1.61 CC1=C(CCCO1)C(=O)O Z1205494283 [0,1,0,0,0,1|0,0,1]=3 778 B10R1.61 CC1=C(SCCO1)C(=O)O Z992759280 [0,1,0,0,0,1|1,0,1]=4 779 B10R1.61 CC1CNCCC1C(=O)O Z1795818158 [0,1,0,0,0,1|1,0,0]=3 780 B10R1.61 CC1COCCC1C(=O)O Z1205496403 [0,1,0,0,0,1|1,0,0]=3 781 B10R1.61 CC1NCCCC1C(=O)O Z1255463358 [0,1,0,0,0,1|1,0,0]=3 782 B10R1.61 CN1CCCCC1C(=O)O Z1259339901 [0,1,0,0,0,1|1,0,0]=3 783 B10R1.61 CN1CCCC[C@@H]1C(=O)O Z1205493960 [0,1,0,0,0,1|1,0,0]=3 784 B10R1.61 CN1CCCC[C@H]1C(=O)O Z1205494199 [0,1,0,0,0,1|1,0,0]=3 785 B10R1.61 CN1CCNCC1C(=O)O Z2679906813 [0,1,0,0,0,1|1,0,0]=3 786 B10R1.61 C[C@@H]1CCCN[C@@H]1C(=O)O Z2309898847 [0,1,0,0,0,1|1,0,0]=3 787 B10R1.61 C[C@@H]1CCNC[C@@H]1C(=O)O Z3247787190 [0,1,0,0,0,1|1,0,0]=3 788 B10R1.61 C[C@@H]1NCCN[C@@H]1C(=O)O Z4444621005 [0,1,0,0,0,1|1,0,0]=3 789 B10R1.61 C[C@H]1OCCN[C@@H]1C(=O)O Z1913661250 [0,1,0,0,0,1|1,0,0]=3 790 B10R1.61 NC(=O)C1CCCCC1N Z1346385659 [0,1,0,0,0,1|2,0,0]=4 791 B10R1.61 NC(=O)C1CCCCN1O Z4286049345 [0,1,0,0,0,1|2,0,0]=4 792 B10R1.61 NC1=C(CCCN1)C(=O)O Z2467523232 [0,1,0,0,0,1|1,0,1]=4 793 B10R1.61 NC1CCCCC1C(=O)O Z1374884261 [0,1,0,0,0,1|1,0,0]=3 794 B10R1.61 N[C@@H]1CC=CC[C@@H]1C(=O)O Z2306832325 [0,1,0,0,0,1|1,0,1]=4 795 B10R1.61 N[C@@H]1CCCC[C@@H]1C(=O)O Z2306832317 [0,1,0,0,0,1|1,0,0]=3 796 B10R1.61 O=C(O)C1=C(CCCC1)Cl Z198749560 [0,1,0,0,0,1|1,0,1]=4 797 B10R1.61 O=C(O)C1=C(CNCC1)F Z3675523883 [0,1,0,0,0,1|1,0,1]=4 798 B10R1.61 O=C(O)C1CCCCC1O Z1080722428 [0,1,0,0,0,1|1,0,0]=3 799 B10R1.61 O=C(O)C1CCNCC1F Z3243524018 [0,1,0,0,0,1|1,0,0]=3 800 B10R1.61 O=C(O)[C@@H]1CCCC[C@H]1O Z3326512742 [0,1,0,0,0,1|1,0,0]=3 801 B10R1.113 CC(=O)C1CCCN(C1)C Z413815762 [0,1,0,0,0,1|2,0,0]=4 802 B10R1.113 CC(=O)C1CCOC(C1)C Z1276728239 [0,1,0,0,0,1|2,0,0]=4 803 B10R1.113 CC(=O)[C@H]1CNC[C@H](C1)C Z5212943153 [0,1,0,0,0,1|2,0,0]=4 804 B10R1.113 CC1CC(CCO1)C(=O)O Z1192344104 [0,1,0,0,0,1|1,0,0]=3 805 B10R1.113 CC1CC(CCS1)C(=O)O Z3242951587 [0,1,0,0,0,1|1,0,0]=3 806 B10R1.113 CC1CCCC(C1)C(=O)O Z792377174 [0,1,0,0,0,1|1,0,0]=3 807 B10R1.113 CC1CCCC(O1)C(=O)O Z1205497461 [0,1,0,0,0,1|0,0,0]=2 808 B10R1.113 CC1CCNC(C1)C(=O)O Z1278581703 [0,1,0,0,0,1|1,0,0]=3 809 B10R1.113 CC1CNCC(C1)C(=O)N Z3268397570 [0,1,0,0,0,1|2,0,0]=4 810 B10R1.113 CC1COCC(N1)C(=O)O Z1723418910 [0,1,0,0,0,1|1,0,0]=3 811 B10R1.113 CN1CCCC(C1)C(=O)O Z752370754 [0,1,0,0,0,1|1,0,0]=3 812 B10R1.113 CN1CCOC(C1)C(=N)N Z2865657210 [0,1,0,0,0,1|2,0,0]=4 813 B10R1.113 CN1CCOC(C1)C(=O)O Z1269638422 [0,1,0,0,0,1|0,0,0]=2 814 B10R1.113 C[C@@H]1CCC[C@@H](N1)C(=O)O Z2471603588 [0,1,0,0,0,1|1,0,0]=3 815 B10R1.113 C[C@@H]1CNCC(O1)C(=O)N Z1413022387 [0,1,0,0,0,1|1,0,0]=3 816 B10R1.113 C[C@@H]1CNC[C@@H](C1)C(=O)O Z3021480604 [0,1,0,0,0,1|1,0,0]=3 817 B10R1.113 C[C@@H]1C[C@@H](CCN1)C(=O)O Z2688982174 [0,1,0,0,0,1|1,0,0]=3 818 B10R1.113 C[C@H]1COC[C@H](N1)C(=O)N Z2379579403 [0,1,0,0,0,1|2,0,0]=4 819 B10R1.113 NC1CCCC(C1)C(=O)O Z979485684 [0,1,0,0,0,1|1,0,0]=3 820 B10R1.113 N[C@@H]1CCC[C@H](C1)C(=O)O Z2309783249 [0,1,0,0,0,1|1,0,0]=3 821 B10R1.113 N[C@H]1C=CC[C@@H](C1)C(=O)O Z2785908692 [0,1,0,0,0,1|1,0,1]=4 822 B10R1.113 O=C(O)C1CCCC(C1)F Z2066862889 [0,1,0,0,0,1|1,0,0]=3 823 B10R1.113 O=C(O)C1CCCC(C1)O Z1205494896 [0,1,0,0,0,1|1,0,0]=3 824 B10R1.113 O=C1CC(CCN1)C(=O)O Z1203735095 [0,1,0,0,0,1|1,0,1]=4 825 B10R1.113 O=C1CCC[C@@H](N1)C(=O)O Z1198182319 [0,1,0,0,0,1|1,0,0]=3 826 B10R1.113 O=C1CSCC(N1)C(=O)O Z359515788 [0,1,0,0,0,1|1,0,1]=4 827 B10R1.113 O=C1NC(CCO1)C(=O)O Z1509031012 [0,1,0,0,0,1|1,0,1]=4 828 B10R1.363 CC(=O)C1(CCCCC1)N Z2106606026 [0,1,0,0,0,1|2,0,0]=4 829 B10R1.363 CC1(C=CCCC1)C(=O)O Z1205494611 [0,1,0,0,0,1|1,0,0]=3 830 B10R1.363 CC1(C=CCCN1)C(=O)O Z4648131040 [0,1,0,0,0,1|1,0,1]=4 831 B10R1.363 CC1(CC=CCC1)C(=O)O Z1198158411 [0,1,0,0,0,1|1,0,1]=4 832 B10R1.363 CC1(CC=CCO1)C(=O)O Z3072907252 [0,1,0,0,0,1|0,0,1]=3 833 B10R1.363 CC1(CCCCC1)C(=O)O Z995180964 [0,1,0,0,0,1|1,0,0]=3 834 B10R1.363 CC1(CCCCN1)C(=O)N Z1635388032 [0,1,0,0,0,1|2,0,0]=4 835 B10R1.363 CC1(CCCCN1)C(=O)O Z1623864156 [0,1,0,0,0,1|1,0,0]=3 836 B10R1.363 CC1(CCCCO1)C(=O)O Z1198235237 [0,1,0,0,0,1|0,0,0]=2 837 B10R1.363 CC1(CCCNC1)C(=O)O Z1262691675 [0,1,0,0,0,1|1,0,0]=3 838 B10R1.363 CC1(CCCOC1)C(=O)O Z1079130408 [0,1,0,0,0,1|0,0,0]=2 839 B10R1.363 CC1(CCNCC1)C(=O)O Z1642389877 [0,1,0,0,0,1|1,0,0]=3 840 B10R1.363 CC1(CCOCC1)C(=O)O Z992920340 [0,1,0,0,0,1|1,0,0]=3 841 B10R1.363 CC1(CCSCC1)C(=O)O Z1255441874 [0,1,0,0,0,1|1,0,0]=3 842 B10R1.363 CC1(CNCCN1)C(=O)O Z5392656375 [0,1,0,0,0,1|1,0,0]=3 843 B10R1.363 CC1(SCCCS1)C(=O)O Z1262514536 [0,1,0,0,0,1|0,1,0]=3 844 B10R1.363 NC(=O)C1(CCCCC1)N Z426041556 [0,1,0,0,0,1|2,0,0]=4 845 B10R1.363 NC(=O)C1(CCCCC1)O Z965048712 [0,1,0,0,0,1|2,0,0]=4 846 B10R1.363 NC(=O)C1(CCCNC1)N Z3172933410 [0,1,0,0,0,1|2,0,0]=4 847 B10R1.363 NC(=O)C1(CCCNC1)O Z2096087370 [0,1,0,0,0,1|2,0,0]=4 848 B10R1.363 NC(=O)C1(CCNCC1)N Z3325154854 [0,1,0,0,0,1|2,0,0]=4 849 B10R1.363 NC(=O)C1(CCNCC1)O Z2009847968 [0,1,0,0,0,1|2,0,0]=4 850 B10R1.363 NC(=O)C1(CCOCC1)N Z477337618 [0,1,0,0,0,1|2,0,0]=4 851 B10R1.363 NC1(CCCNC1)C(=O)O Z2509346558 [0,1,0,0,0,1|1,0,0]=3 852 B10R1.363 NC1(CCCOC1)C(=O)O Z3719007739 [0,1,0,0,0,1|0,0,0]=2 853 B10R1.363 NC1(CCCSC1)C(=O)O Z1029463938 [0,1,0,0,0,1|0,1,0]=3 854 B10R1.363 NC1(CCNCC1)C(=O)O Z1255490001 [0,1,0,0,0,1|1,0,0]=3 855 B10R1.363 NC1(CCOCC1)C(=O)O Z440604890 [0,1,0,0,0,1|1,0,0]=3 856 B10R1.363 NC1(CCSCC1)C(=O)O Z802893750 [0,1,0,0,0,1|1,0,0]=3 857 B10R1.363 O=C(O)C1(CCCCC1)O Z220542624 [0,1,0,0,0,1|1,0,0]=3 858 B10R1.363 O=C(O)C1(CCCNC1)O Z2738500676 [0,1,0,0,0,1|1,0,0]=3 859 B10R1.363 O=C(O)C1(CCCOC1)F Z3243070298 [0,1,0,0,0,1|0,0,0]=2 860 B10R1.363 O=C(O)C1(CCNCC1)F Z3234885472 [0,1,0,0,0,1|1,0,0]=3 861 B10R1.363 O=C(O)C1(CCOCC1)F Z1255373743 [0,1,0,0,0,1|1,0,0]=3 862 B10R1.363 O=C(O)C1(CCOCC1)O Z788000910 [0,1,0,0,0,1|1,0,0]=3 863 B10R1.363 O=C(O)C1(CCSCC1)O Z803080616 [0,1,0,0,0,1|1,0,0]=3 864 B10R1.23 CC(=C1CCCC1)C(=O)O Z1205494373 [0,1,0,0,0,1|1,0,1]=4 865 B10R1.23 CC(C(=O)O)C1=CCCC1 Z1205494118 [0,1,0,0,0,1|1,0,1]=4 866 B10R1.23 CC(C(=O)O)C1CCCC1 Z993955140 [0,1,0,0,0,1|1,0,0]=3 867 B10R1.23 CC(C(=O)O)N1CCCC1 Z1459956121 [0,1,0,0,0,1|2,0,0]=4 868 B10R1.23 NC(C(=O)O)C1CCCC1 Z1259162146 [0,1,0,0,0,1|1,0,0]=3 869 B10R1.23 O=C(O)C(=C1CCCC1)F Z1205656057 [0,1,0,0,0,1|1,0,1]=4 870 B10R1.23 O=C(O)C(O)C1CCCC1 Z941196766 [0,1,0,0,0,1|1,0,0]=3 871 B10R1.23 O=C(O)C(O)C1CCNC1 Z1203819582 [0,1,0,0,0,1|2,0,0]=4 872 B10R1.27 C=CC(=O)NC1CCCC1 Z440633566 [0,1,0,0,0,1|2,0,0]=4 873 B10R1.27 CCC(=O)CC1CCCO1 Z513734576 [0,1,0,0,0,1|1,0,0]=3 874 B10R1.27 CNC(=O)NC1CCCC1 Z177091480 [0,1,0,0,0,1|2,0,0]=4 875 B10R1.27 COC(=O)/C=C\1/CCCN1 Z2186882659 [0,1,0,0,0,1|1,0,1]=4 876 B10R1.27 COC(=O)CC1CCCN1 Z1945708482 [0,1,0,0,0,1|1,0,0]=3 877 B10R1.27 COC(=O)CN1CCCC1 Z57725199 [0,1,0,0,0,1|2,0,0]=4 878 B10R1.27 N/C(=N\O)/CC1CCCO1 Z451350896 [0,1,0,0,0,1|1,0,0]=3 879 B10R1.27 NCC(=O)NC1CCCC1 Z1449764432 [0,1,0,0,0,1|2,0,0]=4 880 B10R1.27 O=C(CCl)CC1CCCC1 Z1386913430 [0,1,0,0,0,1|2,0,0]=4 881 B10R1.27 O=C(CCl)NC1CCCC1 Z56896272 [0,1,0,0,0,1|2,0,0]=4 882 B10R1.27 O=C(CO)NC1CCCC1 Z431952118 [0,1,0,0,0,1|1,0,0]=3 883 B10R1.54 CC1CC(CN1)CC(=O)O Z4762765581 [0,1,0,0,0,1|2,0,0]=4 884 B10R1.54 CC1CC/C(=C\C(=O)O)/C1 Z1868431092 [0,1,0,0,0,1|1,0,1]=4 885 B10R1.54 CC1CCC(C1)CC(=O)O Z1205494179 [0,1,0,0,0,1|1,0,0]=3 886 B10R1.54 CC1CCC(O1)CC(=O)O Z1205494903 [0,1,0,0,0,1|0,0,0]=2 887 B10R1.54 CC1CCN(C1)CC(=O)O Z1459983829 [0,1,0,0,0,1|2,0,0]=4 888 B10R1.54 CN1CCC(C1)CC(=O)O Z2492774445 [0,1,0,0,0,1|2,0,0]=4 889 B10R1.54 N[C@@H]1CC[C@@H](C1)CC(=O)O Z3070901966 [0,1,0,0,0,1|1,0,0]=3 890 B10R1.64 CC1CCCC1CC(=O)O Z1198168867 [0,1,0,0,0,1|1,0,0]=3 891 B10R1.64 CC\1CCC/C1=C\C(=O)O Z1205498287 [0,1,0,0,0,1|1,0,1]=4 892 B10R1.64 O=C(O)CN1CCCC1=O Z57980672 [0,1,0,0,0,1|2,0,0]=4 893 B10R1.64 O=C(O)C[C@@H]1CCC[C@H]1O Z2944218660 [0,1,0,0,0,1|1,0,0]=3 894 B10R1.64 O=C(O)C[C@@H]1COC[C@H]1O Z3197133376 [0,1,0,0,0,1|2,0,0]=4 895 B10R1.281 NS(=O)(=O)CC1CCCO1 Z734461504 [0,1,0,0,0,1|1,0,1]=4 896 B10R1.281 O=S(=O)(F)CC1CCCO1 Z991759788 [0,1,0,0,0,1|1,0,1]=4 897 B10R1.370 CC1(CCCC1)CC(=O)O Z1205494632 [0,1,0,0,0,1|1,0,0]=3 898 B10R1.370 NC1(CCCC1)CC(=O)O Z2301438513 [0,1,0,0,0,1|1,0,0]=3 899 B10R1.370 NC1(CCSC1)CC(=O)O Z1742242134 [0,1,0,0,0,1|2,0,0]=4 900 B10R1.370 O=C(O)CC1(CCCC1)O Z982131876 [0,1,0,0,0,1|1,0,0]=3 901 B10R1.6 CC(C)(C=O)C1CCCO1 Z2724068575 [0,2,0,0,0,0|1,0,1]=4 902 B10R1.9 COC(C=O)C1CCCC1 Z2694746120 [0,2,0,0,0,0|1,0,1]=4 903 B10R1.9 COC(OC)C1CCCO1 Z1255385884 [0,2,0,0,0,0|0,0,2]=4 904 B10R1.11 CCCC(=O)C1CCCC1 Z513735600 [0,2,0,0,0,0|2,0,0]=4 905 B10R1.11 CCNC(=O)N1CCCO1 Z1655325962 [0,2,0,0,0,0|2,0,0]=4 906 B10R1.11 CCOC(=O)C1CCCC1 Z53835896 [0,2,0,0,0,0|1,0,0]=3 907 B10R1.11 CCOC(=O)C1CCCN1 Z361885340 [0,2,0,0,0,0|1,0,0]=3 908 B10R1.11 CCOC(=O)C1CCNO1 Z3195944931 [0,2,0,0,0,0|1,0,0]=3 909 B10R1.11 CCOC(=O)C1CCOC1 Z802555350 [0,2,0,0,0,0|2,0,0]=4 910 B10R1.11 CCOC(=O)[C@H]1CCCN1 Z2327570058 [0,2,0,0,0,0|1,0,0]=3 911 B10R1.14 CC1CCC(O1)C(=O)CCl Z1438314966 [0,2,0,0,0,0|1,0,0]=3 912 B10R1.14 COC(=O)C1CC(=O)CS1 Z1216812477 [0,2,0,0,0,0|0,1,1]=4 913 B10R1.14 COC(=O)C1CCC(=O)N1 Z104509614 [0,2,0,0,0,0|1,0,1]=4 914 B10R1.14 COC(=O)C1CNC(=O)O1 Z1203733132 [0,2,0,0,0,0|1,0,1]=4 915 B10R1.14 COC(=O)N1CCC(C1)N Z1262398482 [0,2,0,0,0,0|2,0,0]=4 916 B10R1.14 COC(=O)[C@@H]1CC[C@@H](C1)N Z2309862002 [0,2,0,0,0,0|1,0,0]=3 917 B10R1.14 COC(=O)[C@@H]1C[C@@H](CS1)N Z3476139903 [0,2,0,0,0,0|0,1,0]=3 918 B10R1.149 COC(=O)C1CCCN1C Z905213162 [0,2,0,0,0,0|1,0,0]=3 919 B10R1.149 COC(=O)C1CCOC1C Z1263715989 [0,2,0,0,0,0|2,0,0]=4 920 B10R1.149 COC(=O)C1SCCC1=O Z1162449360 [0,2,0,0,0,0|0,1,1]=4 921 B10R1.149 COC(=O)[C@@H]1CCC[C@H]1N Z2327884296 [0,2,0,0,0,0|1,0,0]=3 922 B10R1.149 COC(=O)[C@@H]1CNC[C@H]1C Z1955367646 [0,2,0,0,0,0|2,0,0]=4 923 B10R1.411 CNC(=O)C1(CCCC1)N Z1262327549 [0,2,0,0,0,0|2,0,0]=4 924 B10R1.411 COC(=O)C1(CCCC1)N Z235354625 [0,2,0,0,0,0|1,0,0]=3 925 B10R1.411 COC(=O)C1(CCNC1)C Z1095320068 [0,2,0,0,0,0|2,0,0]=4 926 B10R1.411 COC(=O)C1(CCNC1)F Z2082999782 [0,2,0,0,0,0|2,0,0]=4 927 B10R1.411 COC(=O)C1(CCSC1)N Z3674923303 [0,2,0,0,0,0|2,0,0]=4 928 B10R1.31 C#C[C@H]1CC[C@H](N1)C(=O)O Z5870110869 [0,2,0,0,0,0|1,0,0]=3 929 B10R1.31 CCC1=NOC(C1)C(=O)O Z1198323130 [0,2,0,0,0,0|1,0,1]=4 930 B10R1.31 CCC1CCC(N1)C(=O)O Z2417581629 [0,2,0,0,0,0|1,0,0]=3 931 B10R1.31 CCC1CCC(O1)C(=O)O Z1389029400 [0,2,0,0,0,0|0,0,0]=2 932 B10R1.31 CCN1CCC(C1)C(=O)O Z1459883437 [0,2,0,0,0,0|2,0,0]=4 933 B10R1.31 CC[C@@H]1CN[C@@H](C1)C(=O)O Z3490158686 [0,2,0,0,0,0|1,0,0]=3 934 B10R1.31 COC1CCC(C1)C(=O)O Z1509041249 [0,2,0,0,0,0|1,0,0]=3 935 B10R1.31 CO[C@@H]1CN[C@@H](C1)C(=O)N Z1262618373 [0,2,0,0,0,0|2,0,0]=4 936 B10R1.31 CO[C@@H]1CN[C@@H](C1)C(=O)O Z1203733743 [0,2,0,0,0,0|1,0,0]=3 937 B10R1.31 CO[C@H]1CN[C@@H](C1)C(=O)O Z1203732431 [0,2,0,0,0,0|1,0,0]=3 938 B10R1.31 NCC1CCC(O1)C(=O)N Z1416203149 [0,2,0,0,0,0|1,0,0]=3 939 B10R1.31 NC[C@@H]1CC[C@@H](O1)C(=O)O Z2568677836 [0,2,0,0,0,0|0,0,0]=2 940 B10R1.58 C[C@@H]1C[C@@H](CN1C)C(=O)O Z3678692412 [0,2,0,0,0,0|2,0,0]=4 941 B10R1.58 N[C@@H]1C[C@@H](C[C@H]1O)C(=O)O Z3335066881 [0,2,0,0,0,0|1,0,0]=3 942 B10R1.58 N[C@H]1C[C@H](C[C@H]1O)C(=O)O Z5062872452 [0,2,0,0,0,0|1,0,0]=3 943 B10R1.58 O=C(O)C1C[C@@H]([C@H](C1)Br)Br Z540724856 [0,2,0,0,0,0|1,0,0]=3 944 B10R1.58 O=C(O)[C@@H]1C[C@@H]([C@@H](C1)O)O Z2704517658 [0,2,0,0,0,0|1,0,0]=3 945 B10R1.59 CC1CC(=O)NC1C(=O)O Z1198179510 [0,2,0,0,0,0|1,0,1]=4 946 B10R1.59 CC1CC(C(O1)C(=O)O)C Z1947908132 [0,2,0,0,0,0|0,0,0]=2 947 B10R1.59 CN1C[C@@H](C[C@@H]1C(=O)O)O Z3247574257 [0,2,0,0,0,0|1,0,0]=3 948 B10R1.59 N[C@@H]1C[C@@H](C[C@@H]1C(=O)O)O Z2939860921 [0,2,0,0,0,0|1,0,0]=3 949 B10R1.194 CC1C(CCN1C)C(=O)O Z1839475263 [0,2,0,0,0,0|2,0,0]=4 950 B10R1.194 CN1C(=O)CCC1C(=O)O Z1021465860 [0,2,0,0,0,0|1,0,1]=4 951 B10R1.194 CN1CCC(C1=O)C(=O)O Z1205494535 [0,2,0,0,0,0|2,0,0]=4 952 B10R1.194 C[C@@H]1[C@@H](CCN1C)C(=O)O Z2379806278 [0,2,0,0,0,0|2,0,0]=4 953 B10R1.194 O=C(O)[C@@H]1NC[C@H]([C@H]1O)O Z4081403377 [0,2,0,0,0,0|1,0,0]=3 954 B10R1.359 CC1(CC(CN1)C(=O)O)C Z4238522538 [0,2,0,0,0,0|2,0,0]=4 955 B10R1.359 CC1(CCC(C1)C(=O)O)C Z1205496980 [0,2,0,0,0,0|1,0,0]=3 956 B10R1.359 CC1(CCC(N1)C(=O)O)C Z1762997323 [0,2,0,0,0,0|1,0,0]=3 957 B10R1.359 CC1(CNC(C1)C(=O)O)C Z3247793866 [0,2,0,0,0,0|1,0,0]=3 958 B10R1.359 CC1(NC(CS1)C(=O)O)C Z111883472 [0,2,0,0,0,0|2,0,0]=4 959 B10R1.359 CC1(OCC(O1)C(=O)N)C Z1203583229 [0,2,0,0,0,0|2,0,0]=4 960 B10R1.359 O=C(O)C1CC(CN1)(F)F Z1815156403 [0,2,0,0,0,0|1,0,0]=3 961 B10R1.359 O=C(O)C1CCC(C1)(F)F Z1255366935 [0,2,0,0,0,0|1,0,0]=3 962 B10R1.359 O=C(O)C1CCS(=O)(=O)C1 Z104341242 [0,2,0,0,0,0|2,0,0]=4 963 B10R1.470 CC1(CCC(C1)N)C(=O)O Z3244659899 [0,2,0,0,0,0|1,0,0]=3 964 B10R1.470 CC1=NOC(C1)(C)C(=O)O Z1198309644 [0,2,0,0,0,0|1,0,1]=4 965 B10R1.470 CC1CCC(C1)(N)C(=O)O Z3038761031 [0,2,0,0,0,0|1,0,0]=3 966 B10R1.470 CN1CCC(C1)(C)C(=O)O Z2311218975 [0,2,0,0,0,0|2,0,0]=4 967 B10R1.470 C[C@@]1(CCC(=O)N1)C(=O)O Z2740745597 [0,2,0,0,0,0|1,0,1]=4 968 B10R1.470 N[C@@]1(CC[C@@H](C1)O)C(=O)O Z3069146834 [0,2,0,0,0,0|1,0,0]=3 969 B10R1.39 CCC1CCCC1C(=O)O Z1205495847 [0,2,0,0,0,0|1,0,0]=3 970 B10R1.39 CCC1CCNC1C(=O)O Z1262517253 [0,2,0,0,0,0|1,0,0]=3 971 B10R1.39 CCC1NCCC1C(=O)O Z2096659316 [0,2,0,0,0,0|2,0,0]=4 972 B10R1.39 CCC1OCCC1C(=O)O Z1318264615 [0,2,0,0,0,0|2,0,0]=4 973 B10R1.39 CC[C@@H]1CCO[C@@H]1C(=O)O Z2525786659 [0,2,0,0,0,0|0,0,0]=2 974 B10R1.39 N#CC1=C(CCC1)C(=O)O Z1205495248 [0,2,0,0,0,0|1,0,1]=4 975 B10R1.39 NCC1OCCC1C(=O)O Z2237698503 [0,2,0,0,0,0|2,0,0]=4 976 B10R1.39 NC[C@H]1CCC[C@H]1C(=O)O Z2213889147 [0,2,0,0,0,0|1,0,0]=3 977 B10R1.39 O=CC1=CCCC1C(=O)O Z1205494639 [0,2,0,0,0,0|1,0,1]=4 978 B10R1.39 O=NN1CCC[C@H]1C(=O)O Z1198157871 [0,2,0,0,0,0|1,0,0]=3 979 B10R1.128 CC1(CCC=C1C(=O)O)C Z1205498101 [0,2,0,0,0,0|1,0,1]=4 980 B10R1.128 CC1(CCCC1C(=O)O)C Z1205494169 [0,2,0,0,0,0|1,0,0]=3 981 B10R1.128 CC1(CCNC1C(=O)O)C Z2301438439 [0,2,0,0,0,0|1,0,0]=3 982 B10R1.128 CC1(CNCC1C(=O)O)C Z1741975323 [0,2,0,0,0,0|2,0,0]=4 983 B10R1.128 CC1(NCCC1C(=O)O)C Z3485881429 [0,2,0,0,0,0|2,0,0]=4 984 B10R1.128 CC1(OCCC1C(=O)O)C Z1205495057 [0,2,0,0,0,0|2,0,0]=4 985 B10R1.128 C[C@]1(CCC[C@@H]1C(=O)O)N Z2306832357 [0,2,0,0,0,0|1,0,0]=3 986 B10R1.128 O=C(O)C1CCCC1(F)F Z1222424705 [0,2,0,0,0,0|1,0,0]=3 987 B10R1.128 O=C(O)C1CCCS1(=O)=O Z1259179102 [0,2,0,0,0,0|0,1,0]=3 988 B10R1.291 CC1(CCNC1=O)C(=O)O Z2034558836 [0,2,0,0,0,0|2,0,0]=4 989 B10R1.291 CC1CCCC1(C)C(=O)O Z1205495850 [0,2,0,0,0,0|1,0,0]=3 990 B10R1.291 CC1CCCC1(N)C(=O)N Z1258614045 [0,2,0,0,0,0|2,0,0]=4 991 B10R1.291 CC1CCCC1(N)C(=O)O Z3037488514 [0,2,0,0,0,0|1,0,0]=3 992 B10R1.291 CC1OCCC1(C)C(=O)O Z1643426568 [0,2,0,0,0,0|2,0,0]=4 993 B10R1.291 C[C@@H]1CNC[C@@]1(C)C(=O)O Z3036775390 [0,2,0,0,0,0|2,0,0]=4 994 B10R1.291 O=C(O)[C@@]1(CNC[C@H]1O)O Z5064709371 [0,2,0,0,0,0|2,0,0]=4 995 B10R1.477 CCC1(CCCC1)C(=O)O Z995181136 [0,2,0,0,0,0|1,0,0]=3 996 B10R1.477 CCC1(CCCN1)C(=O)O Z1552026999 [0,2,0,0,0,0|1,0,0]=3 997 B10R1.477 CCC1(CCNC1)C(=O)O Z1483991480 [0,2,0,0,0,0|2,0,0]=4 998 B10R1.477 CNC1(CCCC1)C(=O)N Z477328060 [0,2,0,0,0,0|2,0,0]=4 999 B10R1.477 CNC1(CCCC1)C(=O)O Z446011232 [0,2,0,0,0,0|1,0,0]=3 1000 B10R1.477 COC1(CCCC1)C(=O)O Z803492216 [0,2,0,0,0,0|1,0,0]=3 1001 B10R1.477 COC1(CCNC1)C(=O)O Z2865944502 [0,2,0,0,0,0|2,0,0]=4 1002 B10R1.477 COC1(CCSC1)C(=O)O Z803492126 [0,2,0,0,0,0|2,0,0]=4 1003 B10R1.477 N#CC1(CCCC1)C(=O)O Z104346706 [0,2,0,0,0,0|1,0,0]=3 1004 B10R1.477 N#CC1(CCNC1)C(=O)O Z1255404052 [0,2,0,0,0,0|2,0,0]=4 1005 B10R1.477 NCC1(CCCC1)C(=O)N Z878156242 [0,2,0,0,0,0|2,0,0]=4 1006 B10R1.477 NCC1(CCCC1)C(=O)O Z1495988402 [0,2,0,0,0,0|1,0,0]=3 1007 B10R1.477 O=C(O)C1(CCNC1)CO Z3476101268 [0,2,0,0,0,0|2,0,0]=4 1008 B8R1.4 CC1=CC(CCC1)O Z1255423437 [0,0,1,1,0,0|2,0,0]=4 1009 B8R1.4 CC1CC=CC(=O)O1 Z1509022444 [0,0,1,1,0,0|1,0,1]=4 1010 B8R1.4 CC1CCCC(=O)C1 Z56899044 [0,0,1,1,0,0|2,0,0]=4 1011 B8R1.4 CC1CCCC(=O)N1 Z1198150789 [0,0,1,1,0,0|2,0,0]=4 1012 B8R1.4 CC1CNCC(=O)N1 Z1198172719 [0,0,1,1,0,0|2,0,0]=4 1013 B8R1.4 O=C1CC(CCN1)O Z1198221829 [0,0,1,1,0,0|2,0,0]=4 1014 B8R1.4 O=C1COCC(=O)O1 Z85923414 [0,0,1,1,0,0|1,0,1]=4 1015 B8R1.6 CCCC1CC(=O)N1 Z1198168176 [0,0,1,1,0,0|2,0,0]=4 1016 B8R1.6 NCCC1CC(=O)C1 Z2681245722 [0,0,1,1,0,0|2,0,0]=4 1017 B8R1.19 C[C@]1(CCC[C@H]1O)O Z3037315217 [0,0,1,1,0,0|1,0,1]=4 1018 B8R1.22 O=C1CCCCCC1 Z104473100 [0,0,1,1,0,0|2,0,0]=4 1019 B8R1.22 O=C1CNCCCN1 Z2756332573 [0,0,1,1,0,0|2,0,0]=4 1020 B8R1.22 O=C1COCCCN1 Z1203733065 [0,0,1,1,0,0|1,0,0]=3 1021 B8R1.34 CC(=O)CC1CCC1 Z1263592386 [0,0,1,1,0,0|2,0,0]=4 1022 B8R1.34 O=C(O)C=C1CCC1 Z1205494261 [0,0,1,1,0,0|1,0,1]=4 1023 B8R1.34 O=C(O)CC1CCC1 Z1115947835 [0,0,1,1,0,0|1,0,0]=3 1024 B8R1.34 O=C(O)CN1CCC1 Z1255373566 [0,0,1,1,0,0|1,0,0]=3 1025 B8R1.35 CC(=O)CCC1CC1 Z1233207768 [0,0,1,1,0,0|2,0,0]=4 1026 B8R1.35 NC(=O)CNC1CC1 Z104875198 [0,0,1,1,0,0|2,0,0]=4 1027 B8R1.35 O=C(O)C#CC1CC1 Z1198161308 [0,0,1,1,0,0|1,0,1]=4 1028 B8R1.35 O=C(O)CNC1CC1 Z432066928 [0,0,1,1,0,0|1,0,0]=3 1029 B8R1.43 CC[C@@H]1C[C@H]1C(=O)O Z2235790965 [0,0,1,1,0,0|1,0,0]=3 1030 B8R1.43 N#C[C@@H]1C[C@H]1C(=O)O Z2310010920 [0,0,1,1,0,0|1,0,1]=4 1031 B8R1.43 N#C[C@H]1C[C@H]1C(=O)O Z2310010923 [0,0,1,1,0,0|1,0,1]=4 1032 B8R1.43 NC[C@@H]1C[C@H]1C(=O)O Z3718352401 [0,0,1,1,0,0|1,0,0]=3 1033 B8R1.43 O=C([O-])[C@@H]1C[C@H]1CO Z3717749370 [0,0,1,1,0,0|0,0,1]=3 1034 B8R1.43 O=C[C@@H]1C[C@H]1C(=O)O Z3664810585 [0,0,1,1,0,0|0,0,2]=4 1035 B8R1.43 O=C[C@H]1C[C@H]1C(=O)O Z2944291920 [0,0,1,1,0,0|0,0,2]=4 1036 B8R1.5 CC1CCCCC1=O Z104477192 [0,0,1,1,0,0|2,0,0]=4 1037 B8R1.5 CC1CCCNC1=O Z1013766916 [0,0,1,1,0,0|2,0,0]=4 1038 B8R1.5 CC1NCCNC1=O Z336079670 [0,0,1,1,0,0|2,0,0]=4 1039 B8R1.5 CC1SCCCC1=O Z1359849054 [0,0,1,1,0,0|1,1,0]=4 1040 B8R1.5 CC1SCCNC1=O Z1098219156 [0,0,1,1,0,0|1,1,0]=4 1041 B8R1.5 NC1CCCCC1=O Z2186882796 [0,0,1,1,0,0|2,0,0]=4 1042 B8R1.5 NC1CCCNC1=O Z993991168 [0,0,1,1,0,0|2,0,0]=4 1043 B8R1.5 O=C1CCCCC1Cl Z94598693 [0,0,1,1,0,0|2,0,0]=4 1044 B8R1.5 O=C1NCCCC1F Z1203749514 [0,0,1,1,0,0|2,0,0]=4 1045 B8R1.5 OC1CCCCC1O Z600453486 [0,0,1,1,0,0|1,0,1]=4 1046 B8R1.5 O[C@@H]1CCCC[C@H]1O Z2240998867 [0,0,1,1,0,0|1,0,1]=4 1047 B8R1.18 CC1CC(C(=O)N1)C Z1203733105 [0,0,1,1,0,0|2,0,0]=4 1048 B8R1.18 CC1CC(C(=O)O1)N Z118507726 [0,0,1,1,0,0|1,0,0]=3 1049 B8R1.30 C[C@@H]1C[C@]1(N)C(=O)O Z4134701167 [0,0,1,1,0,0|1,0,0]=3 1050 B8R1.54 CC(C(=O)O)C1CC1 Z792377292 [0,0,1,1,0,0|1,0,0]=3 1051 B8R1.54 NC(=O)C(N)C1CC1 Z3183923231 [0,0,1,1,0,0|2,0,0]=4 1052 B8R1.54 NC(=O)C(O)C1CC1 Z965049350 [0,0,1,1,0,0|1,0,0]=3 1053 B8R1.54 NC(C(=O)O)C1CC1 Z1273089257 [0,0,1,1,0,0|1,0,0]=3 1054 B8R1.54 O=C(O)C(O)C1CC1 Z802856440 [0,0,1,1,0,0|0,0,0]=2 1055 B8R1.63 C#CC1(CC1)C(=O)O Z1205656207 [0,0,1,1,0,0|1,0,1]=4 1056 B8R1.63 CNC1(CC1)C(=O)O Z3022016916 [0,0,1,1,0,0|1,0,0]=3 1057 B8R1.63 COC1(CC1)C(=O)O Z1205494389 [0,0,1,1,0,0|0,0,0]=2 1058 B8R1.63 N#CC1(CC1)C(=O)O Z825761122 [0,0,1,1,0,0|2,0,0]=4 1059 B8R1.63 NCC1(CC1)C(=O)O Z2234185648 [0,0,1,1,0,0|2,0,0]=4 1060 B8R1.63 O=C(O)C1(CC1)CO Z1205494853 [0,0,1,1,0,0|2,0,0]=4 1061 B8R1.63 O=CC1(CC1)C(=O)O Z1205496088 [0,0,1,1,0,0|2,0,0]=4 1062 B8R1.67 C[C@@H]1C([C@@H]1C)C(=O)O Z3243444186 [0,0,1,1,0,0|1,0,0]=3 1063 B8R2.34 C1=CC2CC1CN2 Z2677505952 [1,0,0,1,0,0|2,0,0]=4 1064 B8R2.34 C1O[C@@H]2CN[C@H]1C2 Z1198157093 [1,0,0,1,0,0|1,0,1]=4 1065 B8R2.55 C1CCC2(C1)CO2 Z1020680028 [1,0,0,1,0,0|1,0,1]=4 1066 B8R2.1 C1CC(C1)C2CO2 Z1407119362 [0,0,0,1,1,0|1,0,1]=4 1067 B8R2.5 O=C1N[C@H]2[C@@H]1CC2 Z3977166567 [0,0,0,1,1,0|1,0,0]=3 1068 B10R2.6 C1CCC(OC1)C2CO2 Z2583409374 [0,0,0,1,0,1|1,0,1]=4 1069 B10R2.6 C1COCC(C1)C2CO2 Z1192360738 [0,0,0,1,0,1|1,0,1]=4 1070 B10R2.61 O=C1NC2CCNC1C2 Z1509030871 [0,0,0,1,0,1|2,0,0]=4 1071 B10R2.61 O=C1NC2CNCC1C2 Z2696515575 [0,0,0,1,0,1|2,0,0]=4 1072 B10R2.61 O=C1OC2CCNC1C2 Z5219768392 [0,0,0,1,0,1|1,0,0]=3 1073 B10R2.62 O=C1CC2CCC1CC2 Z1379488333 [0,0,0,1,0,1|2,0,0]=4 1074 B10R2.62 O=C1C[C@H]2C=C[C@@H]1CC2 Z1255439877 [0,0,0,1,0,1|2,0,0]=4 1075 B10R2.62 O=C1NC2CCC1CC2 Z926909656 [0,0,0,1,0,1|2,0,0]=4 1076 B10R2.62 O=C1NN2CCC1CC2 Z2181669941 [0,0,0,1,0,1|2,0,0]=4 1077 B10R2.320 O=C1N[C@H]2[C@@H]1CCCC2 Z2289709427 [0,0,0,1,0,1|2,0,0]=4 1078 B10R2.344 O=C(O)C12CNCC1C2 Z600584248 [0,0,0,1,0,1|1,0,0]=3 1079 B10R2.344 O=C(O)[C@@]12CNC[C@@H]1C2 Z2568674577 [0,0,0,1,0,1|1,0,0]=3 1080 B10R2.344 O=C(O)[C@@]12COC[C@@H]1C2 Z2432382009 [0,0,0,1,0,1|0,0,0]=2 1081 B10R2.344 O=C(O)[C@]12C[C@H]1CCN2 Z414834462 [0,0,0,1,0,1|1,0,0]=3 1082 B10R2.351 O=C(O)C1C2C1CCC2 Z235263813 [0,0,0,1,0,1|1,0,0]=3 1083 B10R2.351 O=C(O)[C@@H]1[C@@H]2[C@H]1CNC2 Z414834466 [0,0,0,1,0,1|1,0,0]=3 1084 B10R2.355 O=C(O)[C@@H]1NC[C@H]2[C@@H]1C2 Z3182359549 [0,0,0,1,0,1|1,0,0]=3 1085 B10R2.357 O=C(O)[C@@H]1C[C@H]2C[C@H]2N1 Z440824358 [0,0,0,1,0,1|1,0,0]=3 1086 B10R2.2 O=C1CC2CCOC2O1 Z234901875 [0,0,0,1,0,1|1,0,0]=3 1087 B10R2.2 O=C1N[C@@H]2CNC[C@@H]2O1 Z3858041825 [0,0,0,1,0,1|2,0,0]=4 1088 B10R2.2 O=C1N[C@@H]2COC[C@@H]2O1 Z3354065858 [0,0,0,1,0,1|2,0,0]=4 1089 B10R2.2 O=C1OC2COCC2O1 Z2787476626 [0,0,0,1,0,1|2,0,0]=4 1090 B10R2.2 O=C1O[C@H]2CNC[C@H]2O1 Z3052052262 [0,0,0,1,0,1|2,0,0]=4 1091 B10R2.71 O=C1CC2CCC(C1)S2 Z1513596116 [0,0,0,1,0,1|1,1,0]=4 1092 B10R2.193 C1COC(C1)CC2CO2 Z1258850964 [0,0,0,1,0,1|1,0,1]=4 1093 B10R2.316 O=C1CC2(N1)CCCC2 Z1238837513 [0,0,0,1,0,1|2,0,0]=4 1094 B10R2.3 O=C1CCC12CCCC2 Z1222425050 [0,1,0,1,0,0|2,0,0]=4 1095 B10R2.32 O=C1NCC2C1CCC2 Z1198170665 [0,1,0,1,0,0|2,0,0]=4 1096 B10R2.32 O=C1NC[C@H]2[C@@H]1CCC2 Z3715300326 [0,1,0,1,0,0|2,0,0]=4 1097 B10R2.32 O=C1NC[C@H]2[C@@H]1OCC2 Z2309776372 [0,1,0,1,0,0|1,0,0]=3 1098 B10R2.32 O=C1OC[C@H]2[C@@H]1CCC2 Z2786565576 [0,1,0,1,0,0|1,0,0]=3 1099 B10R2.32 O=C1OC[C@H]2[C@@H]1NCC2 Z4078237372 [0,1,0,1,0,0|1,0,0]=3 1100 B10R2.99 O=CC1CC2CCC1O2 Z1511807599 [0,1,0,1,0,0|1,0,1]=4 1101 B10R2.178 O=C1CC[C@H]2CO[C@@H]1O2 Z1513597501 [0,1,0,1,0,0|2,0,0]=4 1102 B10R2.178 O=C1NCC2CCC1N2 Z1203749107 [0,1,0,1,0,0|2,0,0]=4 1103 B10R2.178 O=C1NC[C@@H]2CC[C@H]1O2 Z2831582980 [0,1,0,1,0,0|1,0,0]=3 1104 B10R2.308 O=C(O)[C@@]12C[C@H]([C@@H]1C2)O Z3380556323 [0,1,0,1,0,0|1,0,0]=3 1105 B10R2.348 NC(=O)C12CC(C1)CN2 Z2587654810 [0,1,0,1,0,0|2,0,0]=4 1106 B10R2.348 O=C(O)C12CC(C1)CN2 Z199536584 [0,1,0,1,0,0|1,0,0]=3 1107 B6R1.6 CNC1CCC1 Z1263820270 [1,0,0,0,1,0|2,0,0]=4 1108 B6R1.6 N#CC1CCC1 Z406694072 [1,0,0,0,1,0|1,0,1]=4 1109 B6R1.6 NCC1CCC1 Z381061564 [1,0,0,0,1,0|1,0,1]=4 1110 B6R1.6 O=CC1CCC1 Z1079442452 [1,0,0,0,1,0|0,0,0]=2 1111 B6R1.11 C=C(Cl)C1CO1 Z2574917304 [0,0,0,0,2,0|2,0,0]=4 1112 B6R1.11 N=C(N)C1CC1 Z935140732 [0,0,0,0,2,0|2,0,0]=4 1113 B6R1.11 O=S([O-])C1CC1 Z1741965693 [0,0,0,0,2,0|1,0,1]=4 1114 B8R0.16 CCC(=CC(=O)O)CC Z352746706 [0,0,1,0,0,1|1,0,1]=4 1115 B8R0.16 CCC(CC)CC(=O)O Z352782266 [0,0,1,0,0,1|1,0,0]=3 1116 B8R0.16 CCC(CN)CC(=O)O Z1436181093 [0,0,1,0,0,1|2,0,0]=4 1117 B8R0.16 CCN(CC)CC(=O)O Z1250132725 [0,0,1,0,0,1|2,0,0]=4 1118 B8R0.16 COC(CN)CC(=O)O Z1827898018 [0,0,1,0,0,1|1,0,0]=3 1119 B8R1.2 BrCC1CCCCO1 Z104484248 [1,0,0,0,0,1|1,0,1]=4 1120 B8R1.2 C=CC1CCCCN1 Z2142036752 [1,0,0,0,0,1|2,0,0]=4 1121 B8R1.2 C=CC1CCCNC1 Z2740400893 [1,0,0,0,0,1|2,0,0]=4 1122 B8R1.2 C=CC1CCNCC1 Z1266933822 [1,0,0,0,0,1|2,0,0]=4 1123 B8R1.2 CCC1CNCCO1 Z283724556 [1,0,0,0,0,1|1,0,1]=4 1124 B8R1.2 COC1CNCCO1 Z1203748232 [1,0,0,0,0,1|2,0,0]=4 1125 B8R1.2 ClCC1CCOCO1 Z56932992 [1,0,0,0,0,1|1,0,1]=4 1126 B8R1.2 ClCC1CNCCO1 Z1198749808 [1,0,0,0,0,1|1,0,1]=4 1127 B8R1.2 FCC1CNCCO1 Z1262569974 [1,0,0,0,0,1|1,0,1]=4 1128 B8R1.2 N#CC1CCCOC1 Z1079179226 [1,0,0,0,0,1|1,0,1]=4 1129 B8R1.2 N#CC1CNCCO1 Z1263820378 [1,0,0,0,0,1|1,0,1]=4 1130 B8R1.2 N#CC1CSCCO1 Z1356110445 [1,0,0,0,0,1|1,0,1]=4 1131 B8R1.2 NCC1CCCCO1 Z839575544 [1,0,0,0,0,1|1,0,1]=4 1132 B8R1.2 NCC1CCOCO1 Z1431005851 [1,0,0,0,0,1|1,0,1]=4 1133 B8R1.2 NOC1CCCCO1 Z968560364 [1,0,0,0,0,1|2,0,0]=4 1134 B8R1.2 O=CC1=CCCCC1 Z1190318865 [1,0,0,0,0,1|1,0,1]=4 1135 B8R1.2 O=CC1=CCCOC1 Z979787886 [1,0,0,0,0,1|0,0,2]=4 1136 B8R1.2 O=CC1=CCCSC1 Z1255380334 [1,0,0,0,0,1|1,0,1]=4 1137 B8R1.2 O=CC1=CCOCC1 Z1511760351 [1,0,0,0,0,1|1,0,1]=4 1138 B8R1.2 O=CC1=COCCC1 Z432415080 [1,0,0,0,0,1|0,0,1]=3 1139 B8R1.2 O=CC1=COCCO1 Z1198154290 [1,0,0,0,0,1|0,0,2]=4 1140 B8R1.2 O=CC1CC=CCC1 Z57936862 [1,0,0,0,0,1|1,0,1]=4 1141 B8R1.2 O=CC1CCC=CO1 Z600389890 [1,0,0,0,0,1|0,0,1]=3 1142 B8R1.2 O=CC1CCCCC1 Z104478974 [1,0,0,0,0,1|1,0,0]=3 1143 B8R1.2 O=CC1CCCCO1 Z1079442734 [1,0,0,0,0,1|0,0,0]=2 1144 B8R1.2 O=CC1CCCOC1 Z1065877672 [1,0,0,0,0,1|0,0,0]=2 1145 B8R1.2 O=CC1CCCSC1 Z1255489365 [1,0,0,0,0,1|0,1,0]=3 1146 B8R1.2 O=CC1CCOCC1 Z979759508 [1,0,0,0,0,1|1,0,0]=3 1147 B8R1.2 O=CC1CCSCC1 Z1201622265 [1,0,0,0,0,1|1,0,0]=3 1148 B8R1.2 O=CN1CCCCC1 Z1255415437 [1,0,0,0,0,1|2,0,0]=4 1149 B8R1.2 O=CN1CCNCC1 Z104479110 [1,0,0,0,0,1|2,0,0]=4 1150 B8R1.2 O=CN1CCOCC1 Z295197308 [1,0,0,0,0,1|2,0,0]=4 1151 B8R1.2 OCC1CCCCC1 Z104503428 [1,0,0,0,0,1|1,0,1]=4 1152 B8R1.2 OCC1CCCCN1 Z104476610 [1,0,0,0,0,1|1,0,1]=4 1153 B8R1.2 OCC1CCCCO1 Z104479808 [1,0,0,0,0,1|0,0,1]=3 1154 B8R1.2 OCC1CCCNC1 Z104479614 [1,0,0,0,0,1|1,0,1]=4 1155 B8R1.2 OCC1CCCOC1 Z445213352 [1,0,0,0,0,1|0,0,1]=3 1156 B8R1.2 OCC1CCNCC1 Z380864362 [1,0,0,0,0,1|1,0,1]=4 1157 B8R1.2 OCC1CCOCC1 Z979753218 [1,0,0,0,0,1|1,0,1]=4 1158 B8R1.2 OCC1CCSCC1 Z1198266791 [1,0,0,0,0,1|1,0,1]=4 1159 B8R1.2 OCC1CNCCO1 Z1235945999 [1,0,0,0,0,1|0,0,1]=3 1160 B8R1.2 OCC1COCCN1 Z2513335525 [1,0,0,0,0,1|1,0,1]=4 1161 B8R1.2 OCC1COCCO1 Z1020816972 [1,0,0,0,0,1|0,0,1]=3 1162 B8R1.2 OCC1CSCCN1 Z1203733048 [1,0,0,0,0,1|1,0,1]=4 1163 B8R1.2 OC[C@H]1CCCCN1 Z1203731003 [1,0,0,0,0,1|1,0,1]=4 1164 B10R1.18 CC(=O)CC1CCNCC1 Z3235039172 [0,0,0,0,0,2|2,0,0]=4 1165 B10R1.18 CC(=O)CC1CCOCC1 Z992965782 [0,0,0,0,0,2|2,0,0]=4 1166 B10R1.18 CC(=O)CC1COCCN1 Z1649677748 [0,0,0,0,0,2|2,0,0]=4 1167 B10R1.18 CC(=O)NC1CCCNC1 Z285140960 [0,0,0,0,0,2|2,0,0]=4 1168 B10R1.18 CC(=O)NC1CCNCC1 Z969560560 [0,0,0,0,0,2|2,0,0]=4 1169 B10R1.18 NC(=O)CC1CCCCC1 Z33547160 [0,0,0,0,0,2|2,0,0]=4 1170 B10R1.18 NC(=O)CC1CCCCN1 Z370714204 [0,0,0,0,0,2|2,0,0]=4 1171 B10R1.18 NC(=O)CC1CCCNC1 Z1318268688 [0,0,0,0,0,2|2,0,0]=4 1172 B10R1.18 NC(=O)CC1CCNCC1 Z300072138 [0,0,0,0,0,2|2,0,0]=4 1173 B10R1.18 NC(=O)CC1CNCCO1 Z1274804035 [0,0,0,0,0,2|1,0,0]=3 1174 B10R1.18 NC(=O)CC1COCCN1 Z2080125157 [0,0,0,0,0,2|2,0,0]=4 1175 B10R1.18 NC(=O)NC1CCCCC1 Z56896929 [0,0,0,0,0,2|2,0,0]=4 1176 B10R1.18 NC(=O)NC1CCCNC1 Z1259341125 [0,0,0,0,0,2|2,0,0]=4 1177 B10R1.18 NC(=O)NC1CCNCC1 Z1272096623 [0,0,0,0,0,2|2,0,0]=4 1178 B10R1.18 O=C(O)C=C1CCCCC1 Z352748084 [0,0,0,0,0,2|1,0,1]=4 1179 B10R1.18 O=C(O)C=C1CCOCC1 Z440605394 [0,0,0,0,0,2|1,0,1]=4 1180 B10R1.18 O=C(O)C=C1CCSCC1 Z1262528560 [0,0,0,0,0,2|1,0,1]=4 1181 B10R1.18 O=C(O)CC1=CCCCC1 Z1138835936 [0,0,0,0,0,2|1,0,1]=4 1182 B10R1.18 O=C(O)CC1=CCOCC1 Z1205495477 [0,0,0,0,0,2|1,0,1]=4 1183 B10R1.18 O=C(O)CC1C=CCCC1 Z1198264430 [0,0,0,0,0,2|1,0,0]=3 1184 B10R1.18 O=C(O)CC1CCCCC1 Z104486044 [0,0,0,0,0,2|1,0,0]=3 1185 B10R1.18 O=C(O)CC1CCCCN1 Z3234954063 [0,0,0,0,0,2|1,0,0]=3 1186 B10R1.18 O=C(O)CC1CCCCO1 Z432421618 [0,0,0,0,0,2|0,0,0]=2 1187 B10R1.18 O=C(O)CC1CCCNC1 Z1272743958 [0,0,0,0,0,2|1,0,0]=3 1188 B10R1.18 O=C(O)CC1CCCOC1 Z445215100 [0,0,0,0,0,2|0,0,0]=2 1189 B10R1.18 O=C(O)CC1CCOCC1 Z440605396 [0,0,0,0,0,2|1,0,0]=3 1190 B10R1.18 O=C(O)CC1CCSCC1 Z826531570 [0,0,0,0,0,2|1,0,0]=3 1191 B10R1.18 O=C(O)CC1CNCCO1 Z3241262582 [0,0,0,0,0,2|0,0,0]=2 1192 B10R1.18 O=C(O)CC1COCCN1 Z1741981133 [0,0,0,0,0,2|1,0,0]=3 1193 B10R1.18 O=C(O)CC1CSCCS1 Z1492186731 [0,0,0,0,0,2|0,1,0]=3 1194 B10R1.18 O=C(O)CC1OCCCO1 Z1205495524 [0,0,0,0,0,2|0,0,0]=2 1195 B10R1.18 O=C(O)CN1CCCCC1 Z1171978832 [0,0,0,0,0,2|2,0,0]=4 1196 B10R1.18 O=C(O)CN1CCNCC1 Z2887863329 [0,0,0,0,0,2|2,0,0]=4 1197 B10R1.18 O=C(O)CN1CCOCC1 Z1270246390 [0,0,0,0,0,2|2,0,0]=4 1198 B10R1.348 CC(=O)C1CCCCCC1 Z1255452291 [0,0,0,0,0,2|2,0,0]=4 1199 B10R1.348 CC(=O)N1CCCOCC1 Z929561102 [0,0,0,0,0,2|2,0,0]=4 1200 B10R1.348 O=C(O)C1CCC=CCC1 Z447899262 [0,0,0,0,0,2|1,0,0]=3 1201 B10R1.348 O=C(O)C1CCCCCN1 Z1250132361 [0,0,0,0,0,2|1,0,0]=3 1202 B10R1.348 O=C(O)C1CCCCNC1 Z2310702448 [0,0,0,0,0,2|1,0,0]=3 1203 B10R1.348 O=C(O)C1CCCOCC1 Z1258684735 [0,0,0,0,0,2|0,0,0]=2 1204 B10R1.348 O=C(O)C1CNCCCN1 Z2044769174 [0,0,0,0,0,2|1,0,0]=3 1205 B10R1.66 CC(=O)NCC1CCCN1 Z4898465730 [0,0,0,0,0,2|2,0,0]=4 1206 B10R1.66 N=C(N)NCC1CCCO1 Z1089990672 [0,0,0,0,0,2|2,0,0]=4 1207 B10R1.66 NC(=O)CNC1CCCC1 Z90608472 [0,0,0,0,0,2|2,0,0]=4 1208 B10R1.66 NC(=O)NCC1CCCC1 Z415672550 [0,0,0,0,0,2|2,0,0]=4 1209 B10R1.66 NC(=O)NCC1CCCO1 Z56911934 [0,0,0,0,0,2|1,0,0]=3 1210 B10R1.66 NC(=S)NCC1CCCO1 Z56911928 [0,0,0,0,0,2|1,1,0]=4 1211 B10R1.66 O=C(O)/C=C/C1=CCCC1 Z1198161448 [0,0,0,0,0,2|1,0,1]=4 1212 B10R1.66 O=C(O)C#CC1CCOC1 Z1235950936 [0,0,0,0,0,2|2,0,0]=4 1213 B10R1.66 O=C(O)CCC1CCCC1 Z104478044 [0,0,0,0,0,2|1,0,0]=3 1214 B10R1.66 O=C(O)CCC1CCCN1 Z2467454523 [0,0,0,0,0,2|1,0,0]=3 1215 B10R1.66 O=C(O)CCC1CCCO1 Z362564576 [0,0,0,0,0,2|0,0,0]=2 1216 B10R1.66 O=C(O)CCC1CCNC1 Z1198312388 [0,0,0,0,0,2|2,0,0]=4 1217 B10R1.66 O=C(O)CCC1CCOC1 Z975825286 [0,0,0,0,0,2|2,0,0]=4 1218 B10R1.66 O=C(O)CNC1CCCC1 Z359505658 [0,0,0,0,0,2|1,0,0]=3 1219 B10R1.66 O=C(O)COC1CCCC1 Z316258762 [0,0,0,0,0,2|1,0,0]=3 1220 B10R1.66 O=C(O)COC1CCNC1 Z4875638894 [0,0,0,0,0,2|2,0,0]=4 1221 B10R1.66 O=C(O)COC1CCOC1 Z1138838239 [0,0,0,0,0,2|2,0,0]=4 1222 B10R1.66 O=C(O)CSC1CCCC1 Z147646804 [0,0,0,0,0,2|1,0,0]=3