0 B8R0.8 CCCCC(N)B(O)O MC442653 [0,0,0,0,0,0|2,0,1]=3 1 B8R0.8 CCCCC(N)C(=O)O MC428079 [0,0,0,0,0,0|1,0,0]=1 2 B8R0.8 CCCCC(N)C(=O)O MC428113 [0,0,0,0,0,0|1,0,0]=1 3 B8R0.8 CCCCC(N)C(=O)O MC428121 [0,0,0,0,0,0|1,0,0]=1 4 B8R0.8 CCCCC(N)C(N)=O MC438017 [0,0,0,0,0,0|2,0,0]=2 5 B8R0.8 CSCCC(N)C(=O)O CS18644 [0,0,0,0,0,0|0,0,0]=0 6 B8R0.8 CSCCC(N)C(=O)O MC428038 [0,0,0,0,0,0|0,0,0]=0 7 B8R0.8 CSCCC(N)C(=O)O MC428332 [0,0,0,0,0,0|0,0,0]=0 8 B8R0.8 CSCCC(N)C(N)=O MC437951 [0,0,0,0,0,0|1,0,0]=1 9 B8R0.8 CSCCC(N)C(N)=O MC439009 [0,0,0,0,0,0|1,0,0]=1 10 B8R0.8 C[Se]CCC(N)C(=O)O MC435432 [0,0,0,0,0,0|0,1,0]=1 11 B8R0.8 C[Se]CCC(N)C(=O)O MC435562 [0,0,0,0,0,0|0,1,0]=1 12 B8R0.8 NCCCC(N)C(=O)O CS22279 [0,0,0,0,0,0|2,0,0]=2 13 B8R0.8 NCCCC(N)C(=O)O MC438045 [0,0,0,0,0,0|2,0,0]=2 14 B8R0.8 NCCCC(N)C(=O)O MC439200 [0,0,0,0,0,0|2,0,0]=2 15 B8R0.8 NOCCC(N)C(=O)O MC100566 [0,0,0,0,0,0|1,1,0]=2 16 B8R0.8 NOCCC(N)C(=O)O MC114097 [0,0,0,0,0,0|1,1,0]=2 17 B7R0.3 CSCCC(N)CO MC437961 [1,0,0,0,0,0|0,0,1]=2 18 B7R0.4 C#CCCCC(=O)O CS14686 [1,0,0,0,0,0|1,0,1]=3 19 B7R0.4 C=CCNCC(=O)O MC439317 [1,0,0,0,0,0|2,0,1]=4 20 B7R0.4 CC(=O)CCCCBr CS10627 [1,0,0,0,0,0|3,0,0]=4 21 B7R0.4 CCCCCB(O)O CS22305 [1,0,0,0,0,0|2,0,1]=4 22 B7R0.4 CCCCCC(C)O CS21570 [1,0,0,0,0,0|2,0,1]=4 23 B7R0.4 CCCOCC(=O)O MC425744 [1,0,0,0,0,0|2,0,0]=3 24 B7R0.4 NCCCCC(=O)O MC428108 [1,0,0,0,0,0|2,0,0]=3 25 B7R0.4 NCCNCC(=O)O MC436179 [1,0,0,0,0,0|3,0,0]=4 26 B7R0.4 O=C(O)CCCCBr MC41866 [1,0,0,0,0,0|2,0,0]=3 27 B7R0.5 C#CCC(N)C(=O)O CS13900 [1,0,0,0,0,0|0,0,2]=3 28 B7R0.5 C#CCC(N)C(=O)O MC21037 [1,0,0,0,0,0|0,0,2]=3 29 B7R0.5 C#CCC(N)C(=O)O MC438112 [1,0,0,0,0,0|0,0,2]=3 30 B7R0.5 C=CCC(N)C(=O)O MC439179 [1,0,0,0,0,0|0,0,2]=3 31 B7R0.5 CCCC(N)C(=O)O CS10518 [1,0,0,0,0,0|0,0,0]=1 32 B7R0.5 CCCC(N)C(=O)O CS17028 [1,0,0,0,0,0|0,0,0]=1 33 B7R0.5 CCCC(N)C(=O)O MC439125 [1,0,0,0,0,0|0,0,0]=1 34 B7R0.5 CCCC(N)C(N)=O MC438024 [1,0,0,0,0,0|1,0,0]=2 35 B7R0.5 COCC(N)C(=O)O CS12183 [1,0,0,0,0,0|0,1,0]=2 36 B7R0.5 COCC(N)C(=O)O CS16755 [1,0,0,0,0,0|0,1,0]=2 37 B7R0.5 COCC(N)C(=O)O CS20335 [1,0,0,0,0,0|0,1,0]=2 38 B7R0.5 CSCC(N)C(=O)O MC439293 [1,0,0,0,0,0|0,0,0]=1 39 B7R0.5 C[Se]CC(N)C(=O)O MC435442 [1,0,0,0,0,0|0,1,0]=2 40 B7R0.5 C[Se]CC(N)C(=O)O MC435443 [1,0,0,0,0,0|0,1,0]=2 41 B7R0.5 N#CCC(N)C(=O)O MC436869 [1,0,0,0,0,0|1,0,1]=3 42 B7R0.5 NC(CCO)C(=O)O CS13886 [1,0,0,0,0,0|0,1,0]=2 43 B7R0.5 NC(CCO)C(=O)O CS16701 [1,0,0,0,0,0|0,1,0]=2 44 B7R0.5 NC(CCO)C(=O)O CS22620 [1,0,0,0,0,0|0,1,0]=2 45 B7R0.5 NCCC(N)C(=O)O CS13874 [1,0,0,0,0,0|1,0,0]=2 46 B7R0.5 NCCC(N)C(=O)O CS15080 [1,0,0,0,0,0|1,0,0]=2 47 B7R0.5 NCCC(N)C(=O)O MC436921 [1,0,0,0,0,0|1,0,0]=2 48 B7R0.5 NCCC(N)C(=O)O MC439091 [1,0,0,0,0,0|1,0,0]=2 49 B7R0.5 NCCC(N)C(=O)O MC439321 [1,0,0,0,0,0|1,0,0]=2 50 B7R0.5 NCCC(O)C(=O)O CS15496 [1,0,0,0,0,0|2,0,0]=3 51 B7R0.5 NCCC(O)C(=O)O CS21759 [1,0,0,0,0,0|2,0,0]=3 52 B9R0.7 C=C(C)CCC(N)C(=O)O MC435324 [0,1,0,0,0,0|1,0,0]=2 53 B9R0.7 C=C(C)CCC(N)C(=O)O MC435325 [0,1,0,0,0,0|1,0,0]=2 54 B9R0.7 CC(=O)OCC(N)C(=O)O MC428251 [0,1,0,0,0,0|2,0,0]=3 55 B9R0.7 CC(=O)OCC(N)C(=O)O MC438163 [0,1,0,0,0,0|2,0,0]=3 56 B9R0.7 CC(C)CCC(N)C(=O)O CS10576 [0,1,0,0,0,0|1,0,0]=2 57 B9R0.7 CS(=O)CCC(N)C(=O)O MC437958 [0,1,0,0,0,0|0,0,1]=2 58 B9R0.7 NC(=O)C(N)CCC(=O)O MC437667 [0,1,0,0,0,0|3,0,0]=4 59 B9R0.7 NC(=O)C(N)CCC(=O)O MC437668 [0,1,0,0,0,0|3,0,0]=4 60 B9R0.7 NC(=O)CCC(N)C(=O)O MC437648 [0,1,0,0,0,0|2,0,0]=3 61 B9R0.7 NC(=O)CCC(N)C(=O)O MC437649 [0,1,0,0,0,0|2,0,0]=3 62 B9R0.7 NC(=O)CCC(N)C(N)=O MC437652 [0,1,0,0,0,0|3,0,0]=4 63 B9R0.7 NC(=O)CCC(N)C(N)=O MC437653 [0,1,0,0,0,0|3,0,0]=4 64 B9R0.7 NC(=O)NCC(N)C(=O)O MC436167 [0,1,0,0,0,0|3,0,0]=4 65 B9R0.7 NC(=O)SCC(N)C(=O)O MC436904 [0,1,0,0,0,0|3,0,0]=4 66 B9R0.7 NC(CCC(=O)O)C(=O)O CS14946 [0,1,0,0,0,0|2,0,0]=3 67 B9R0.7 NC(CCC(=O)O)C(=O)O CS15295 [0,1,0,0,0,0|2,0,0]=3 68 B9R0.7 NC(CCC(=O)O)C(=O)O MC437662 [0,1,0,0,0,0|2,0,0]=3 69 B9R0.7 NC(CCC(=O)O)C(=O)O MC437663 [0,1,0,0,0,0|2,0,0]=3 70 B9R0.8 CCCCC(N)C(=O)OC MC438018 [0,1,0,0,0,0|1,0,0]=2 71 B9R0.8 CCCCC(N)C(=O)OC MC438019 [0,1,0,0,0,0|1,0,0]=2 72 B9R0.8 COC(=O)C(N)CCCN MC438048 [0,1,0,0,0,0|2,0,0]=3 73 B9R0.8 COC(=O)C(N)CCSC MC437955 [0,1,0,0,0,0|0,0,0]=1 74 B9R0.8 COC(=O)C(N)CCSC MC437956 [0,1,0,0,0,0|0,0,0]=1 75 B9R0.8 COC(=O)C(N)CCSC MC439011 [0,1,0,0,0,0|0,0,0]=1 76 B9R0.13 CCCCC(NC)C(=O)O MC435132 [0,1,0,0,0,0|1,0,0]=2 77 B9R0.13 CCCCC(NC)C(=O)O MC435489 [0,1,0,0,0,0|1,0,0]=2 78 B9R0.13 CNC(CCCN)C(=O)O MC435491 [0,1,0,0,0,0|2,0,0]=3 79 B9R0.13 CNC(CCCN)C(=O)O MC435492 [0,1,0,0,0,0|2,0,0]=3 80 B9R0.13 CNC(CCSC)C(=O)O MC435530 [0,1,0,0,0,0|0,0,0]=1 81 B9R0.42 COC(=O)CC(N)C(=O)O CS13817 [0,1,0,0,0,0|0,1,1]=3 82 B9R0.42 COC(=O)CC(N)C(=O)O CS22944 [0,1,0,0,0,0|0,1,1]=3 83 B9R0.42 COC(=O)CC(N)C(=O)O MC436270 [0,1,0,0,0,0|0,1,1]=3 84 B9R0.47 NCCCCC(N)C(=O)O CS18635 [0,1,0,0,0,0|1,0,0]=2 85 B9R0.47 NCCCCC(N)C(=O)O CS18638 [0,1,0,0,0,0|1,0,0]=2 86 B9R0.47 NCCCCC(N)C(=O)O CS19147 [0,1,0,0,0,0|1,0,0]=2 87 B9R0.47 NCCCCC(N)C(=O)O CS19277 [0,1,0,0,0,0|1,0,0]=2 88 B9R0.47 NCCCCC(N)C(=O)O MC20432 [0,1,0,0,0,0|1,0,0]=2 89 B9R0.47 NCCCCC(N)C(=O)O MC435005 [0,1,0,0,0,0|1,0,0]=2 90 B9R0.47 NCCCCC(N)C(=O)O MC439006 [0,1,0,0,0,0|1,0,0]=2 91 B9R0.47 NCCCCC(N)C(N)=O MC437847 [0,1,0,0,0,0|2,0,0]=3 92 B9R0.47 NCCCCC(N)C(N)=O MC437848 [0,1,0,0,0,0|2,0,0]=3 93 B9R0.47 NCCSCC(N)C(=O)O MC436895 [0,1,0,0,0,0|2,0,0]=3 94 B9R0.47 NC\C=C\CC(N)C(=O)O MC436933 [0,1,0,0,0,0|1,0,1]=3 95 B9R0.47 [N-]=[N+]=NCCC(N)C(=O)O MC436281 [0,1,0,0,0,0|2,0,0]=3 96 B9R0.51 COCCC(C)(N)C(=O)O MC106310 [0,1,0,0,0,0|0,1,0]=2 97 B9R1.5 NC1CCCCNC1=O CS15569 [0,0,0,1,0,0|2,0,0]=3 98 B9R1.5 NC1CCCCNC1=O CS15816 [0,0,0,1,0,0|2,0,0]=3 99 B9R1.5 NC1CCCCNC1=O MC425745 [0,0,0,1,0,0|2,0,0]=3 100 B9R1.5 NC1CSCCNC1=O MC100169 [0,0,0,1,0,0|3,0,0]=4 101 B9R1.6 CC(=O)C1CCOCC1 CS13055 [0,0,0,1,0,0|2,1,0]=4 102 B9R1.6 NC(=O)C1CCCCN1 MC425161 [0,0,0,1,0,0|2,0,0]=3 103 B9R1.6 NC(=O)C1CCNCC1 CS22309 [0,0,0,1,0,0|3,0,0]=4 104 B9R1.6 O=C(O)C1=CCOCC1 MC105969 [0,0,0,1,0,0|1,1,1]=4 105 B9R1.6 O=C(O)C1CC=CCC1 MC20590 [0,0,0,1,0,0|2,0,1]=4 106 B9R1.6 O=C(O)C1CC=CCC1 MC20996 [0,0,0,1,0,0|2,0,1]=4 107 B9R1.6 O=C(O)C1CCCCC1 CS16426 [0,0,0,1,0,0|2,0,0]=3 108 B9R1.6 O=C(O)C1CCCCN1 CS13937 [0,0,0,1,0,0|1,0,0]=2 109 B9R1.6 O=C(O)C1CCCCN1 CS18416 [0,0,0,1,0,0|1,0,0]=2 110 B9R1.6 O=C(O)C1CCCCN1 CS18418 [0,0,0,1,0,0|1,0,0]=2 111 B9R1.6 O=C(O)C1CCCCN1 CS18433 [0,0,0,1,0,0|1,0,0]=2 112 B9R1.6 O=C(O)C1CCCNC1 CS12538 [0,0,0,1,0,0|3,0,0]=4 113 B9R1.6 O=C(O)C1CCCNC1 CS22802 [0,0,0,1,0,0|3,0,0]=4 114 B9R1.6 O=C(O)C1CCCNC1 CS22806 [0,0,0,1,0,0|3,0,0]=4 115 B9R1.6 O=C(O)C1CCCOC1 CS18526 [0,0,0,1,0,0|3,0,0]=4 116 B9R1.6 O=C(O)C1CCCSC1 MC113062 [0,0,0,1,0,0|3,0,0]=4 117 B9R1.6 O=C(O)C1CCNCC1 CS15208 [0,0,0,1,0,0|2,0,0]=3 118 B9R1.6 O=C(O)C1CCNCC1 CS22807 [0,0,0,1,0,0|2,0,0]=3 119 B9R1.6 O=C(O)C1CCOCC1 CS18392 [0,0,0,1,0,0|1,1,0]=3 120 B9R1.6 O=C(O)C1CNCCN1 CS16953 [0,0,0,1,0,0|2,0,0]=3 121 B9R1.6 O=C(O)C1CNCCN1 CS17152 [0,0,0,1,0,0|2,0,0]=3 122 B9R1.6 O=C(O)C1CNCCN1 CS22631 [0,0,0,1,0,0|2,0,0]=3 123 B9R1.6 O=C(O)C1CNCCN1 CS22824 [0,0,0,1,0,0|2,0,0]=3 124 B9R1.6 O=C(O)C1CNCCO1 CS21703 [0,0,0,1,0,0|3,0,0]=4 125 B9R1.6 O=C(O)C1CNCCO1 MC444042 [0,0,0,1,0,0|3,0,0]=4 126 B9R1.6 O=C(O)C1CNCCO1 MC444064 [0,0,0,1,0,0|3,0,0]=4 127 B9R1.6 O=C(O)C1COCCN1 CS16814 [0,0,0,1,0,0|2,0,0]=3 128 B9R1.6 O=C(O)C1COCCN1 CS17811 [0,0,0,1,0,0|2,0,0]=3 129 B9R1.6 O=C(O)C1CSCCN1 CS19640 [0,0,0,1,0,0|2,0,0]=3 130 B9R1.35 CC1CNC(C(=O)O)C1 MC100332 [0,0,0,1,0,0|3,0,0]=4 131 B9R1.35 CN1CCC(C(=O)O)C1 CS18297 [0,0,0,1,0,0|2,0,0]=3 132 B9R1.35 CN1CCC(C(=O)O)C1 MC103798 [0,0,0,1,0,0|2,0,0]=3 133 B9R1.35 CN1CCC(C(=O)O)C1 MC104573 [0,0,0,1,0,0|2,0,0]=3 134 B9R1.35 CN1CCC(C(=O)O)C1 MC444131 [0,0,0,1,0,0|2,0,0]=3 135 B9R1.35 NC1CCC(C(=O)O)C1 CS14934 [0,0,0,1,0,0|3,0,0]=4 136 B9R1.35 NC1CCC(C(=O)O)C1 CS16161 [0,0,0,1,0,0|3,0,0]=4 137 B9R1.35 NC1CCC(C(=O)O)C1 CS17903 [0,0,0,1,0,0|3,0,0]=4 138 B9R1.35 NC1CCC(C(=O)O)C1 MC105619 [0,0,0,1,0,0|3,0,0]=4 139 B9R1.35 O=C1CCC(C(=O)O)C1 CS19439 [0,0,0,1,0,0|3,0,0]=4 140 B9R1.35 O=C1CCC(C(=O)O)C1 MC105133 [0,0,0,1,0,0|3,0,0]=4 141 B9R1.35 O=C1CCC(C(=O)O)C1 MC105627 [0,0,0,1,0,0|3,0,0]=4 142 B9R1.35 O=C1CCC(C(=O)O)N1 CS22212 [0,0,0,1,0,0|2,0,0]=3 143 B9R1.35 O=C1CCC(C(=O)O)N1 MC438135 [0,0,0,1,0,0|2,0,0]=3 144 B9R1.35 O=C1CCC(C(=O)O)S1 MC103888 [0,0,0,1,0,0|3,0,0]=4 145 B9R1.35 O=C1NC(C(=O)O)CS1 MC438059 [0,0,0,1,0,0|3,0,0]=4 146 B9R1.69 NC1CCC(=O)NC1=O CS13348 [0,0,0,1,0,0|3,0,0]=4 147 B9R1.69 NC1CCC(=O)NC1=O MC105196 [0,0,0,1,0,0|3,0,0]=4 148 B9R1.95 COC1CC(C(=O)O)C1 MC102156 [0,0,0,1,0,0|1,1,0]=3 149 B9R1.95 COC1CC(C(=O)O)C1 MC103811 [0,0,0,1,0,0|1,1,0]=3 150 B9R1.95 NCC1CC(C(=O)O)C1 MC105165 [0,0,0,1,0,0|3,0,0]=4 151 B9R1.95 O=C(O)C1CC(CO)C1 MC103733 [0,0,0,1,0,0|3,0,0]=4 152 B9R1.110 NC(C(=O)O)C1CCC1 MC444160 [0,0,0,1,0,0|1,0,0]=2 153 B9R1.110 NC(C(=O)O)C1CCC1 MC444508 [0,0,0,1,0,0|1,0,0]=2 154 B9R1.110 NC(C(=O)O)C1COC1 MC101964 [0,0,0,1,0,0|0,1,0]=2 155 B9R1.112 CC(NC1CC1)C(=O)O MC436876 [0,0,0,1,0,0|3,0,0]=4 156 B9R1.112 NC(CC1CC1)C(=O)O CS18682 [0,0,0,1,0,0|1,0,0]=2 157 B9R1.163 CC1(C(=O)O)CCCN1 MC10549 [0,0,0,1,0,0|3,0,0]=4 158 B9R1.163 CC1(C(=O)O)CCCN1 MC437940 [0,0,0,1,0,0|3,0,0]=4 159 B9R1.163 CC1(C(=O)O)CCOC1 MC103813 [0,0,0,1,0,0|1,1,0]=3 160 B9R1.163 NC(=O)C1(N)CCCC1 CS18509 [0,0,0,1,0,0|2,0,0]=3 161 B9R1.163 NC1(C(=O)O)CCCC1 CS18420 [0,0,0,1,0,0|1,0,0]=2 162 B9R1.163 NC1(C(=O)O)CCOC1 MC20730 [0,0,0,1,0,0|0,1,0]=2 163 B9R1.163 O=C(O)C1(F)CCCC1 MC443736 [0,0,0,1,0,0|2,0,0]=3 164 B9R1.163 O=C(O)C1(F)CCNC1 MC104696 [0,0,0,1,0,0|2,0,0]=3 165 B9R1.163 O=C(O)C1(O)CCCC1 CS20733 [0,0,0,1,0,0|2,0,0]=3 166 B9R0.4 C[Se]CCC(N)CC(=O)O MC435596 [0,0,0,0,0,1|0,1,0]=2 167 B9R0.4 C[Se]CCC(N)CC(=O)O MC435597 [0,0,0,0,0,1|0,1,0]=2 168 B6R0.1 CCCC(O)CO CS20495 [2,0,0,0,0,0|1,0,1]=4 169 B6R0.4 C#CCCC(=O)O MC428029 [2,0,0,0,0,0|0,0,2]=4 170 B6R0.4 C=CCCC(=O)O CS15216 [2,0,0,0,0,0|0,0,2]=4 171 B6R0.4 CC(=O)CCCBr CS10305 [2,0,0,0,0,0|2,0,0]=4 172 B6R0.4 CC(=O)CCCCl CS10334 [2,0,0,0,0,0|2,0,0]=4 173 B6R0.4 CCCCC(=O)Cl MC40508 [2,0,0,0,0,0|1,0,0]=3 174 B6R0.4 N#CCCC(=O)O CS22262 [2,0,0,0,0,0|1,0,1]=4 175 B6R0.4 NCCCC(=O)O CS14998 [2,0,0,0,0,0|1,0,0]=3 176 B6R0.4 NCCCC(N)=O MC112262 [2,0,0,0,0,0|2,0,0]=4 177 B6R0.4 O=C(Cl)CCCCl MC40450 [2,0,0,0,0,0|2,0,0]=4 178 B6R0.4 O=C(O)CCCBr CS14053 [2,0,0,0,0,0|1,0,0]=3 179 B6R0.6 COCCCC=O MC111975 [2,0,0,0,0,0|0,1,0]=3 180 B6R0.3 C=CC(N)C(=O)O MC21080 [2,0,0,0,0,0|0,0,2]=4 181 B6R0.3 CC(CN)C(=O)O MC105846 [2,0,0,0,0,0|2,0,0]=4 182 B6R0.3 CC(CN)C(=O)O MC105847 [2,0,0,0,0,0|2,0,0]=4 183 B6R0.3 CCC(=O)C(=O)O CS21626 [2,0,0,0,0,0|1,0,1]=4 184 B6R0.3 CCC(Br)C(=O)O MC426015 [2,0,0,0,0,0|1,0,0]=3 185 B6R0.3 CCC(Cl)C(=O)O MC426016 [2,0,0,0,0,0|1,0,0]=3 186 B6R0.3 CCC(N)B(O)O MC442680 [2,0,0,0,0,0|1,0,1]=4 187 B6R0.3 CCC(N)B(O)O MC442681 [2,0,0,0,0,0|1,0,1]=4 188 B6R0.3 CCC(N)C(=O)O CS13661 [2,0,0,0,0,0|0,0,0]=2 189 B6R0.3 CCC(N)C(=O)O CS14054 [2,0,0,0,0,0|0,0,0]=2 190 B6R0.3 CCC(N)C(=O)O CS14084 [2,0,0,0,0,0|0,0,0]=2 191 B6R0.3 CCC(N)C(N)=O CS15891 [2,0,0,0,0,0|1,0,0]=3 192 B6R0.3 CCC(N)C(N)=O MC436006 [2,0,0,0,0,0|1,0,0]=3 193 B6R0.3 CNC(C)C(=O)O MC428068 [2,0,0,0,0,0|2,0,0]=4 194 B6R0.3 CNC(C)C(=O)O MC428076 [2,0,0,0,0,0|2,0,0]=4 195 B6R0.3 CNC(C)C(=O)O MC428084 [2,0,0,0,0,0|2,0,0]=4 196 B6R0.3 COC(C)C(=O)O CS14024 [2,0,0,0,0,0|1,1,0]=4 197 B6R0.3 COC(C)C(=O)O MC425243 [2,0,0,0,0,0|1,1,0]=4 198 B6R0.3 NC(=O)C(N)CO MC438160 [2,0,0,0,0,0|1,1,0]=4 199 B6R0.3 NC(CCl)C(=O)O MC436849 [2,0,0,0,0,0|1,0,0]=3 200 B6R0.3 NC(CCl)C(=O)O MC436850 [2,0,0,0,0,0|1,0,0]=3 201 B6R0.3 NC(CCl)C(=O)O MC436851 [2,0,0,0,0,0|1,0,0]=3 202 B6R0.3 NC(CCl)C(=O)O MC436852 [2,0,0,0,0,0|1,0,0]=3 203 B6R0.3 NC(CF)C(=O)O MC437009 [2,0,0,0,0,0|1,0,0]=3 204 B6R0.3 NC(CO)C(=O)O CS14731 [2,0,0,0,0,0|0,1,0]=3 205 B6R0.3 NC(CO)C(=O)O CS18949 [2,0,0,0,0,0|0,1,0]=3 206 B6R0.3 NC(CO)C(=O)O CS19144 [2,0,0,0,0,0|0,1,0]=3 207 B6R0.3 NC(CS)C(=O)O CS19113 [2,0,0,0,0,0|0,0,0]=2 208 B6R0.3 NC(CS)C(=O)O CS19417 [2,0,0,0,0,0|0,0,0]=2 209 B6R0.3 NC(CS)C(=O)O CS19655 [2,0,0,0,0,0|0,0,0]=2 210 B6R0.3 NC(CS)C(=O)O MC428046 [2,0,0,0,0,0|0,0,0]=2 211 B6R0.3 NC(CS)C(=O)O MC436887 [2,0,0,0,0,0|0,0,0]=2 212 B6R0.3 NC(CS)C(=O)O MC436888 [2,0,0,0,0,0|0,0,0]=2 213 B6R0.3 NC(CS)C(=O)O MC439001 [2,0,0,0,0,0|0,0,0]=2 214 B6R0.3 NC(C[SeH])C(=O)O MC435423 [2,0,0,0,0,0|0,1,0]=3 215 B6R0.3 NCC(N)C(=O)O CS14756 [2,0,0,0,0,0|1,0,0]=3 216 B6R0.3 NCC(N)C(=O)O CS19624 [2,0,0,0,0,0|1,0,0]=3 217 B6R0.3 NCC(N)C(=O)O CS19672 [2,0,0,0,0,0|1,0,0]=3 218 B6R0.3 NCC(O)C(=O)O CS20294 [2,0,0,0,0,0|2,0,0]=4 219 B6R0.3 NCC(O)C(=O)O MC437816 [2,0,0,0,0,0|2,0,0]=4 220 B6R0.3 O=C(O)C(Br)CBr CS15215 [2,0,0,0,0,0|2,0,0]=4 221 B6R0.3 O=C(O)C(O)CCl MC10790 [2,0,0,0,0,0|2,0,0]=4 222 B8R0.7 COCCOCC(=O)O MC10458 [1,1,0,0,0,0|0,1,0]=3 223 B8R0.7 CSCCCCC(=O)O MC112374 [1,1,0,0,0,0|0,0,0]=2 224 B8R0.7 NCCCCCC(=O)O CS13381 [1,1,0,0,0,0|1,0,0]=3 225 B8R0.7 O=C(O)CCCCCBr CS18405 [1,1,0,0,0,0|1,0,0]=3 226 B8R0.28 CN(C)CCCC(=O)O CS18615 [1,1,0,0,0,0|1,0,0]=3 227 B8R0.28 O=C(O)CCCC(=O)O MC20876 [1,1,0,0,0,0|2,0,0]=4 228 B8R0.2 CCC(C)C(N)C(=O)O MC20633 [1,1,0,0,0,0|0,0,0]=2 229 B8R0.2 CCC(C)C(N)C(=O)O MC437790 [1,1,0,0,0,0|0,0,0]=2 230 B8R0.2 CCC(C)C(N)C(=O)O MC437791 [1,1,0,0,0,0|0,0,0]=2 231 B8R0.2 CCC(C)C(N)C(=O)O MC437792 [1,1,0,0,0,0|0,0,0]=2 232 B8R0.2 CCC(C)C(N)C(=O)O MC437793 [1,1,0,0,0,0|0,0,0]=2 233 B8R0.2 CCC(C)C(N)C(=O)O MC437794 [1,1,0,0,0,0|0,0,0]=2 234 B8R0.2 CCC(C)C(N)C(N)=O MC437802 [1,1,0,0,0,0|1,0,0]=3 235 B8R0.2 COC(C)C(N)C(=O)O MC439018 [1,1,0,0,0,0|0,1,0]=3 236 B8R0.2 O=C(O)C(O)C(O)CO MC20861 [1,1,0,0,0,0|1,1,0]=4 237 B8R0.12 CC(C)(CCN)C(=O)O MC442790 [1,1,0,0,0,0|2,0,0]=4 238 B8R0.12 COCC(F)(F)C(=O)O MC104134 [1,1,0,0,0,0|1,1,0]=4 239 B8R0.15 CCCC(NC)C(=O)O MC435490 [1,1,0,0,0,0|0,0,0]=2 240 B8R0.15 CCCC(NC)C(=O)O MC437925 [1,1,0,0,0,0|0,0,0]=2 241 B8R0.23 C=C(C)CC(N)C(=O)O MC436932 [1,1,0,0,0,0|0,0,1]=3 242 B8R0.23 CC(C)CC(Br)C(=O)O CS14792 [1,1,0,0,0,0|1,0,0]=3 243 B8R0.23 CC(C)CC(N)B(O)O MC442652 [1,1,0,0,0,0|1,0,1]=4 244 B8R0.23 CC(C)CC(N)B(O)O MC442682 [1,1,0,0,0,0|1,0,1]=4 245 B8R0.23 CC(C)CC(N)B(O)O MC442688 [1,1,0,0,0,0|1,0,1]=4 246 B8R0.23 CC(C)CC(N)B(O)O MC442689 [1,1,0,0,0,0|1,0,1]=4 247 B8R0.23 CC(C)CC(N)C(=O)O CS18600 [1,1,0,0,0,0|0,0,0]=2 248 B8R0.23 CC(C)CC(N)C(=O)O CS18604 [1,1,0,0,0,0|0,0,0]=2 249 B8R0.23 CC(C)CC(N)C(=O)O CS22248 [1,1,0,0,0,0|0,0,0]=2 250 B8R0.23 CC(C)CC(N)C(N)=O MC437832 [1,1,0,0,0,0|1,0,0]=3 251 B8R0.23 CC(C)CC(N)C(N)=O MC437833 [1,1,0,0,0,0|1,0,0]=3 252 B8R0.23 CC(C)CC(N)C(N)=O MC437834 [1,1,0,0,0,0|1,0,0]=3 253 B8R0.23 CC(C)CC(N)C(N)=O MC437835 [1,1,0,0,0,0|1,0,0]=3 254 B8R0.23 CC(C)CC(N)C(N)=O MC437836 [1,1,0,0,0,0|1,0,0]=3 255 B8R0.23 CC(C)CC(O)C(=O)O MC426019 [1,1,0,0,0,0|1,0,0]=3 256 B8R0.23 CC(C)CC(O)C(=O)O MC437768 [1,1,0,0,0,0|1,0,0]=3 257 B8R0.23 CC(C)CC(O)C(=O)O MC446675 [1,1,0,0,0,0|1,0,0]=3 258 B8R0.23 NC(=O)CC(N)C(=O)O CS19152 [1,1,0,0,0,0|0,1,1]=4 259 B8R0.23 NC(=O)CC(N)C(=O)O MC436231 [1,1,0,0,0,0|0,1,1]=4 260 B8R0.23 NC(CC(=O)O)C(=O)O CS18065 [1,1,0,0,0,0|0,1,1]=4 261 B8R0.23 NC(CC(=O)O)C(=O)O MC436244 [1,1,0,0,0,0|0,1,1]=4 262 B10R0.6 CCCCCC(C)CC(=O)O MC112327 [0,1,0,0,0,1|2,0,0]=4 263 B10R0.96 NC(=O)CCC(N)CC(=O)O MC439303 [0,1,0,0,0,1|2,0,0]=4 264 B10R0.96 NC(CCC(=O)O)CC(=O)O MC439102 [0,1,0,0,0,1|2,0,0]=4 265 B10R0.13 CC(=O)OC(C)C(N)C(=O)O MC435228 [0,2,0,0,0,0|2,0,0]=4 266 B10R0.57 COC(=O)C(N)CCC(=O)O MC437674 [0,2,0,0,0,0|2,0,0]=4 267 B10R0.57 COC(=O)C(N)CCC(=O)O MC437675 [0,2,0,0,0,0|2,0,0]=4 268 B10R0.57 COC(=O)C(N)CCC(N)=O MC437656 [0,2,0,0,0,0|2,0,0]=4 269 B10R0.82 COC(=O)CCC(N)C(=O)O CS22254 [0,2,0,0,0,0|0,1,0]=3 270 B10R0.82 COC(=O)CCC(N)C(=O)O MC437693 [0,2,0,0,0,0|0,1,0]=3 271 B10R0.82 COC(=O)CCC(N)C(N)=O MC437694 [0,2,0,0,0,0|1,1,0]=4 272 B10R0.82 NCC(O)CCC(N)C(=O)O MC437772 [0,2,0,0,0,0|1,0,0]=3 273 B10R0.84 CNC(CCC(=O)O)C(=O)O MC437906 [0,2,0,0,0,0|2,0,0]=4 274 B10R0.84 CNC(CCC(=O)O)C(=O)O MC437907 [0,2,0,0,0,0|2,0,0]=4 275 B10R0.84 CNC(CCC(N)=O)C(=O)O MC435539 [0,2,0,0,0,0|2,0,0]=4 276 B10R0.84 CNC(CCC(N)=O)C(=O)O MC435540 [0,2,0,0,0,0|2,0,0]=4 277 B10R0.92 CC(C)(C)OCC(N)C(=O)O CS11444 [0,2,0,0,0,0|2,0,0]=4 278 B10R0.92 CC(C)(C)OCC(N)C(=O)O MC427224 [0,2,0,0,0,0|2,0,0]=4 279 B10R0.92 CC(C)(C)SCC(N)C(=O)O MC436896 [0,2,0,0,0,0|2,0,0]=4 280 B10R0.92 CC(C)(C)SCC(N)C(=O)O MC436897 [0,2,0,0,0,0|2,0,0]=4 281 B10R0.92 CS(=O)(=O)CCC(N)C(=O)O MC437959 [0,2,0,0,0,0|0,0,1]=3 282 B10R0.92 CS(=O)(=O)CCC(N)C(=O)O MC437960 [0,2,0,0,0,0|0,0,1]=3 283 B10R0.92 NC(CCC(F)(F)F)C(=O)O MC107722 [0,2,0,0,0,0|2,0,0]=4 284 B10R0.92 NC(CCP(=O)(O)O)C(=O)O MC112611 [0,2,0,0,0,0|2,0,0]=4 285 B10R0.93 NC(CC(N)C(=O)O)C(=O)O MC114098 [0,2,0,0,0,0|2,0,0]=4 286 B10R0.93 NC(CC(O)C(=O)O)C(=O)O MC437765 [0,2,0,0,0,0|2,0,0]=4 287 B10R0.93 NC(CC(O)C(=O)O)C(=O)O MC437766 [0,2,0,0,0,0|2,0,0]=4 288 B10R0.19 CCOC(=O)C(N)CCSC MC437953 [0,2,0,0,0,0|0,0,0]=2 289 B10R0.19 CCOC(=O)C(N)CCSC MC437954 [0,2,0,0,0,0|0,0,0]=2 290 B10R0.19 CCOC(=O)C(N)CCSC MC439231 [0,2,0,0,0,0|0,0,0]=2 291 B10R0.46 COC(=O)CC(N)C(=O)OC MC436272 [0,2,0,0,0,0|0,1,1]=4 292 B10R0.46 COC(=O)CC(N)C(=O)OC MC436273 [0,2,0,0,0,0|0,1,1]=4 293 B10R0.46 COC(=O)CC(N)C(=O)OC MC436274 [0,2,0,0,0,0|0,1,1]=4 294 B10R0.83 COC(=O)C(N)CCCCN MC437851 [0,2,0,0,0,0|1,0,0]=3 295 B10R0.86 CNC(CCCCN)C(=O)O MC435480 [0,2,0,0,0,0|1,0,0]=3 296 B10R0.86 CNC(CCCCN)C(=O)O MC437922 [0,2,0,0,0,0|1,0,0]=3 297 B10R0.88 CCCCC(NC=O)C(=O)O MC437644 [0,2,0,0,0,0|1,0,0]=3 298 B10R0.88 CSCCC(NC=O)C(=O)O MC437639 [0,2,0,0,0,0|0,0,0]=2 299 B10R0.88 CSCCC(NC=O)C(=O)O MC437640 [0,2,0,0,0,0|0,0,0]=2 300 B10R0.75 CNCCCCC(N)C(=O)O MC437873 [0,2,0,0,0,0|1,0,0]=3 301 B10R0.98 N=C(N)NCCC(N)C(=O)O MC114322 [0,2,0,0,0,0|1,0,1]=4 302 B10R0.98 NC(CCCC(=O)O)C(=O)O MC436001 [0,2,0,0,0,0|1,0,1]=4 303 B10R0.98 NC(CCCC(=O)O)C(=O)O MC436002 [0,2,0,0,0,0|1,0,1]=4 304 B10R0.98 NC(CCCC(=O)O)C(=O)O MC436003 [0,2,0,0,0,0|1,0,1]=4 305 B8R1.2 O=CC1CCCCC1 MC20143 [1,0,0,1,0,0|2,0,0]=4 306 B8R1.2 O=CC1CCOCC1 MC445812 [1,0,0,1,0,0|1,1,0]=4 307 B8R1.2 OCC1CCCCN1 CS21780 [1,0,0,1,0,0|1,0,1]=4 308 B8R1.5 CC1CCNCC1=O MC105562 [1,0,0,1,0,0|2,0,0]=4 309 B8R1.5 NC1CCCCC1O CS12403 [1,0,0,1,0,0|1,0,1]=4 310 B8R1.5 NC1CCCCC1O CS12547 [1,0,0,1,0,0|1,0,1]=4 311 B8R1.5 NC1CCCCC1O CS12548 [1,0,0,1,0,0|1,0,1]=4 312 B8R1.5 NC1CCCCC1O CS14928 [1,0,0,1,0,0|1,0,1]=4 313 B8R1.5 NC1CCCCC1O CS18590 [1,0,0,1,0,0|1,0,1]=4 314 B8R1.5 NC1CCCCC1O MC20710 [1,0,0,1,0,0|1,0,1]=4 315 B8R1.5 NC1CCCCC1O MC20824 [1,0,0,1,0,0|1,0,1]=4 316 B8R1.5 NC1CCCNC1=O MC106744 [1,0,0,1,0,0|2,0,0]=4 317 B8R1.5 NC1CCOCC1O MC102103 [1,0,0,1,0,0|0,1,1]=4 318 B8R1.5 NC1CCOCC1O MC102104 [1,0,0,1,0,0|0,1,1]=4 319 B8R1.5 NC1CCOCC1O MC102509 [1,0,0,1,0,0|0,1,1]=4 320 B8R1.52 NC1(CO)CCOC1 MC103469 [1,0,0,1,0,0|0,1,1]=4 321 B8R1.4 O=C1CCCC(=O)O1 CS11243 [1,0,0,1,0,0|2,0,0]=4 322 B8R1.7 CC(=O)C1CCCC1 CS20673 [1,0,0,1,0,0|2,0,0]=4 323 B8R1.7 CC(=O)C1CCCC1 MC445790 [1,0,0,1,0,0|2,0,0]=4 324 B8R1.7 O=C(O)C1CCCN1 CS18287 [1,0,0,1,0,0|2,0,0]=4 325 B8R1.7 O=C(O)C1CCCN1 CS18742 [1,0,0,1,0,0|2,0,0]=4 326 B8R1.7 O=C(O)C1CCCN1 CS22249 [1,0,0,1,0,0|2,0,0]=4 327 B8R1.7 O=C(O)C1CCCO1 CS16192 [1,0,0,1,0,0|2,0,0]=4 328 B8R1.7 O=C(O)C1CCCO1 CS18232 [1,0,0,1,0,0|2,0,0]=4 329 B8R1.7 O=C(O)C1CCCO1 MC20393 [1,0,0,1,0,0|2,0,0]=4 330 B8R1.7 O=C(O)C1CCNC1 CS18444 [1,0,0,1,0,0|1,0,0]=3 331 B8R1.7 O=C(O)C1CCNC1 CS19637 [1,0,0,1,0,0|1,0,0]=3 332 B8R1.7 O=C(O)C1CCOC1 CS19475 [1,0,0,1,0,0|0,1,0]=3 333 B8R1.7 O=C(O)C1CCOC1 MC444586 [1,0,0,1,0,0|0,1,0]=3 334 B8R1.7 O=C(O)C1CSCN1 CS15627 [1,0,0,1,0,0|1,0,0]=3 335 B8R1.7 O=C(O)C1CSCN1 MC20446 [1,0,0,1,0,0|1,0,0]=3 336 B8R1.7 O=C([O-])C1CSCN1 MC436714 [1,0,0,1,0,0|1,0,1]=4 337 B8R1.31 NC1CCC1C(=O)O MC104253 [1,0,0,1,0,0|2,0,0]=4 338 B8R1.31 NC1CCC1C(=O)O MC104335 [1,0,0,1,0,0|2,0,0]=4 339 B8R1.31 NC1CCC1C(=O)O MC104421 [1,0,0,1,0,0|2,0,0]=4 340 B8R1.31 NC1CCC1C(=O)O MC105420 [1,0,0,1,0,0|2,0,0]=4 341 B8R1.34 O=C(O)CC1CCC1 CS11177 [1,0,0,1,0,0|1,0,0]=3 342 B8R1.34 O=C(O)CC1CNC1 MC103917 [1,0,0,1,0,0|1,0,0]=3 343 B8R1.34 O=C(O)CC1CNC1 MC444240 [1,0,0,1,0,0|1,0,0]=3 344 B8R1.34 O=C(O)CC1COC1 MC444158 [1,0,0,1,0,0|0,1,0]=3 345 B8R1.35 O=C(O)CCC1CC1 CS19562 [1,0,0,1,0,0|1,0,0]=3 346 B8R1.23 CC1CC(C(=O)O)C1 CS15188 [1,0,0,1,0,0|1,0,0]=3 347 B8R1.23 CC1CC(C(=O)O)C1 MC101958 [1,0,0,1,0,0|1,0,0]=3 348 B8R1.23 CC1CC(C(=O)O)C1 MC101959 [1,0,0,1,0,0|1,0,0]=3 349 B8R1.23 CN1CC(C(=O)O)C1 MC444119 [1,0,0,1,0,0|2,0,0]=4 350 B8R1.23 NC1CC(C(=O)O)C1 CS15871 [1,0,0,1,0,0|2,0,0]=4 351 B8R1.23 NC1CC(C(=O)O)C1 CS18457 [1,0,0,1,0,0|2,0,0]=4 352 B8R1.23 NC1CC(C(=O)O)C1 MC100079 [1,0,0,1,0,0|2,0,0]=4 353 B8R1.23 NC1CC(C(=O)O)C1 MC10550 [1,0,0,1,0,0|2,0,0]=4 354 B8R1.23 NC1CC(C(=O)O)C1 MC444597 [1,0,0,1,0,0|2,0,0]=4 355 B8R1.23 O=C(O)C1CC(Cl)C1 MC444263 [1,0,0,1,0,0|2,0,0]=4 356 B8R1.23 O=C(O)C1CC(F)C1 MC121085 [1,0,0,1,0,0|2,0,0]=4 357 B8R1.23 O=C(O)C1CC(O)C1 CS13147 [1,0,0,1,0,0|1,1,0]=4 358 B8R1.23 O=C(O)C1CC(O)C1 MC102155 [1,0,0,1,0,0|1,1,0]=4 359 B8R1.23 O=C(O)C1CC(O)C1 MC104924 [1,0,0,1,0,0|1,1,0]=4 360 B8R1.23 O=C1CC(C(=O)O)N1 MC103900 [1,0,0,1,0,0|0,1,1]=4 361 B8R1.30 CC1(C(=O)O)CC1F MC102835 [1,0,0,1,0,0|2,0,0]=4 362 B8R1.30 CC1(C(=O)O)CC1F MC102836 [1,0,0,1,0,0|2,0,0]=4 363 B8R1.54 O=C(O)C(=O)C1CC1 CS15905 [1,0,0,1,0,0|1,0,1]=4 364 B8R1.78 CC1(C(=O)O)CCC1 MC21173 [1,0,0,1,0,0|1,0,0]=3 365 B8R1.78 CC1(C(=O)O)COC1 MC444297 [1,0,0,1,0,0|1,1,0]=4 366 B8R1.78 NC(=O)C1(N)CCC1 MC106178 [1,0,0,1,0,0|1,0,0]=3 367 B8R1.78 NC1(C(=O)O)CCC1 CS20591 [1,0,0,1,0,0|0,0,0]=2 368 B8R1.78 NC1(C(=O)O)CNC1 MC113165 [1,0,0,1,0,0|1,0,0]=3 369 B8R1.78 NC1(C(=O)O)COC1 MC444235 [1,0,0,1,0,0|0,1,0]=3 370 B8R1.78 NC1(C(=O)O)CSC1 MC100257 [1,0,0,1,0,0|0,0,0]=2 371 B8R1.78 O=C(O)C1(F)CNC1 MC103706 [1,0,0,1,0,0|2,0,0]=4 372 B10R1.18 O=C(O)CC1CCCCC1 CS10565 [0,0,0,1,0,1|2,0,0]=4 373 B10R1.18 O=C(O)CC1CCNCC1 CS10136 [0,0,0,1,0,1|2,0,0]=4 374 B10R1.18 O=C(O)CC1CCOCC1 CS19613 [0,0,0,1,0,1|1,1,0]=4 375 B10R1.18 O=C(O)CC1COCCN1 CS14263 [0,0,0,1,0,1|2,0,0]=4 376 B10R1.18 O=C(O)CC1COCCN1 MC104152 [0,0,0,1,0,1|2,0,0]=4 377 B10R1.61 O=C(O)C1CCCCC1O CS21597 [0,0,0,1,0,1|2,0,0]=4 378 B10R1.266 CC(CC(=O)O)C1CCC1 MC112325 [0,0,0,1,0,1|2,0,0]=4 379 B10R1.370 CC1(CC(=O)O)CCCC1 MC116458 [0,0,0,1,0,1|2,0,0]=4 380 B10R1.13 CC1CCC(C(N)=O)CN1 MC425228 [0,1,0,1,0,0|2,0,0]=4 381 B10R1.13 NC1CCC(C(=O)O)CC1 CS12037 [0,1,0,1,0,0|2,0,0]=4 382 B10R1.13 NC1CCC(C(=O)O)CC1 CS14216 [0,1,0,1,0,0|2,0,0]=4 383 B10R1.13 NC1CCC(C(=O)O)CC1 CS14217 [0,1,0,1,0,0|2,0,0]=4 384 B10R1.13 O=C(O)C1CCC(O)CC1 MC428316 [0,1,0,1,0,0|2,0,0]=4 385 B10R1.13 O=C(O)C1CCC(O)CN1 MC102531 [0,1,0,1,0,0|1,0,0]=3 386 B10R1.13 O=C(O)C1CCC(O)CN1 MC103741 [0,1,0,1,0,0|1,0,0]=3 387 B10R1.13 O=C(O)C1CCC(O)CN1 MC105262 [0,1,0,1,0,0|1,0,0]=3 388 B10R1.13 O=C1CCC(C(=O)O)CC1 MC425116 [0,1,0,1,0,0|2,0,0]=4 389 B10R1.13 O=C1CCC(C(=O)O)CN1 MC444434 [0,1,0,1,0,0|2,0,0]=4 390 B10R1.13 O=C1CNC(C(=O)O)CN1 CS17718 [0,1,0,1,0,0|2,0,0]=4 391 B10R1.359 O=C(O)C1CCS(=O)(=O)N1 CS19500 [0,1,0,1,0,0|1,0,1]=4 392 B10R1.14 COC(=O)C1CCC(=O)N1 CS14546 [0,1,0,1,0,0|2,0,0]=4 393 B10R1.14 COC(=O)C1CCC(=O)N1 CS15487 [0,1,0,1,0,0|2,0,0]=4 394 B10R1.15 COC(=O)C1CCCCC1 CS22810 [0,1,0,1,0,0|2,0,0]=4 395 B10R1.15 COC(=O)C1CCCCN1 CS14321 [0,1,0,1,0,0|1,0,0]=3 396 B10R1.15 COC(=O)C1CCCCN1 CS19622 [0,1,0,1,0,0|1,0,0]=3 397 B10R1.15 COC(=O)C1CCCCN1 CS19623 [0,1,0,1,0,0|1,0,0]=3 398 B10R1.15 COC(=O)C1CCOCC1 CS13506 [0,1,0,1,0,0|1,1,0]=4 399 B10R1.15 COC(=O)C1COCCN1 MC104286 [0,1,0,1,0,0|2,0,0]=4 400 B10R1.15 COC(=O)C1COCCN1 MC114879 [0,1,0,1,0,0|2,0,0]=4 401 B10R1.15 COC(=O)C1COCCN1 MC444512 [0,1,0,1,0,0|2,0,0]=4 402 B10R1.15 COC(=O)C1COCCN1 MC444560 [0,1,0,1,0,0|2,0,0]=4 403 B10R1.182 COC(=O)C(N)C1COC1 MC429817 [0,1,0,1,0,0|0,1,0]=3 404 B10R1.411 COC(=O)C1(C)CCOC1 MC104210 [0,1,0,1,0,0|1,1,0]=4 405 B10R1.411 COC(=O)C1(N)CCCC1 CS15228 [0,1,0,1,0,0|1,0,0]=3 406 B10R1.194 CN1C(=O)CCC1C(=O)O MC443546 [0,1,0,1,0,0|2,0,0]=4 407 B10R1.348 O=C(O)C1CCCCCC1 CS20527 [0,1,0,1,0,0|2,0,0]=4 408 B10R1.113 CC1CCNC(C(=O)O)C1 CS13084 [0,1,0,1,0,0|1,0,0]=3 409 B10R1.113 NC1CCCC(C(=O)O)C1 CS14264 [0,1,0,1,0,0|2,0,0]=4 410 B10R1.113 NC1CCCC(C(=O)O)C1 CS17221 [0,1,0,1,0,0|2,0,0]=4 411 B10R1.113 NC1CCCC(C(=O)O)C1 CS17237 [0,1,0,1,0,0|2,0,0]=4 412 B10R1.113 NC1CCCC(C(=O)O)C1 CS19619 [0,1,0,1,0,0|2,0,0]=4 413 B10R1.113 NC1CCCC(C(=O)O)C1 MC105219 [0,1,0,1,0,0|2,0,0]=4 414 B10R1.113 O=C(O)C1CC(O)CCN1 MC445804 [0,1,0,1,0,0|1,0,0]=3 415 B10R1.113 O=C1CCNC(C(=O)O)C1 MC113049 [0,1,0,1,0,0|1,0,1]=4 416 B10R1.113 O=C1CCNC(C(=O)O)C1 MC445805 [0,1,0,1,0,0|1,0,1]=4 417 B10R1.113 O=C1CCNC(C(=O)O)C1 MC445809 [0,1,0,1,0,0|1,0,1]=4 418 B10R1.363 CC1(C(=O)O)CCNCC1 MC429057 [0,1,0,1,0,0|2,0,0]=4 419 B10R1.363 CC1(C(=O)O)CCSCC1 MC104149 [0,1,0,1,0,0|1,0,0]=3 420 B10R1.363 NC1(C(=O)O)CCNCC1 MC105661 [0,1,0,1,0,0|1,0,0]=3 421 B10R1.363 NC1(C(=O)O)CCOCC1 CS14607 [0,1,0,1,0,0|0,1,0]=3 422 B10R1.363 O=C(O)C1(F)CCOCC1 MC102108 [0,1,0,1,0,0|1,1,0]=4 423 B10R1.354 O=C(O)C(F)(F)C1CCC1 MC431514 [0,1,0,1,0,0|2,0,0]=4 424 B10R1.354 O=C(O)C(F)(F)C1COC1 MC431513 [0,1,0,1,0,0|1,1,0]=4 425 B10R2.178 O=C1CCC2CCC1N2 MC105539 [0,0,0,2,0,0|2,0,0]=4 426 B10R2.178 O=C1NCC2CCC1N2 MC105362 [0,0,0,2,0,0|2,0,0]=4 427 B10R2.344 O=C(O)C12CNCC1C2 MC103440 [0,0,0,2,0,0|2,0,0]=4 428 B10R2.344 O=C(O)C12CNCC1C2 MC444238 [0,0,0,2,0,0|2,0,0]=4 429 B10R2.351 O=C(O)C1C2CNCC21 MC116516 [0,0,0,2,0,0|2,0,0]=4 430 B10R2.351 O=C(O)C1C2COCC21 CS14457 [0,0,0,2,0,0|1,1,0]=4 431 B10R2.351 O=C(O)C1C2COCC21 MC105389 [0,0,0,2,0,0|1,1,0]=4 432 B10R2.355 O=C(O)C1NCC2CC21 MC100068 [0,0,0,2,0,0|1,0,0]=3 433 B10R2.355 O=C(O)C1NCC2CC21 MC100069 [0,0,0,2,0,0|1,0,0]=3 434 B10R2.355 O=C(O)C1NCC2CC21 MC103380 [0,0,0,2,0,0|1,0,0]=3 435 B10R2.355 O=C(O)C1NCC2CC21 MC103381 [0,0,0,2,0,0|1,0,0]=3 436 B10R2.355 O=C(O)C1NCC2CC21 MC105643 [0,0,0,2,0,0|1,0,0]=3 437 B10R2.355 O=C(O)C1NCC2CC21 MC105644 [0,0,0,2,0,0|1,0,0]=3 438 B10R2.357 NC(=O)C1CC2CC2N1 CS17814 [0,0,0,2,0,0|2,0,0]=4 439 B10R2.357 NC(=O)C1CC2CC2N1 MC107659 [0,0,0,2,0,0|2,0,0]=4 440 B10R2.357 O=C(O)C1CC2CC2C1 MC103539 [0,0,0,2,0,0|2,0,0]=4 441 B10R2.357 O=C(O)C1CC2CC2N1 MC103441 [0,0,0,2,0,0|1,0,0]=3 442 B10R2.357 O=C(O)C1CC2CC2N1 MC105463 [0,0,0,2,0,0|1,0,0]=3