0 B10R1.18 CC(=CN1CCCCC1)C S354880 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.18 CC(=O)CC1CCCCC1 CDS001548 [0,0,0,0,0,0|1,0,0]=1 2 B10R1.18 CC(=O)CN1CCCCC1 R433675 [0,0,0,0,0,0|2,0,0]=2 3 B10R1.18 CC(=O)CN1CCOCC1 CDS006278 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.18 CC(=O)NC1CCCCC1 PH004244 [0,0,0,0,0,0|2,0,0]=2 5 B10R1.18 CC(=O)NC1CCNCC1 CDS000127 [0,0,0,0,0,0|3,0,0]=3 6 B10R1.18 CC(C)CC1CCCCC1 S564869 [0,0,0,0,0,0|2,0,1]=3 7 B10R1.18 CC(O)CN1CCCCC1 S418854 [0,0,0,0,0,0|2,0,1]=3 8 B10R1.18 CC(O)CN1CCOCC1 S362727 [0,0,0,0,0,0|3,0,1]=4 9 B10R1.18 CN(C)NC1CCCCC1 PH001375 [0,0,0,0,0,0|4,0,0]=4 10 B10R1.18 N=C(N)NC1CCCCC1 L255009 [0,0,0,0,0,0|3,0,0]=3 11 B10R1.18 N=C(N)SC1CCCCC1 S822655 [0,0,0,0,0,0|3,0,0]=3 12 B10R1.18 NC(=O)CC1CCCCN1 CDS022187 [0,0,0,0,0,0|2,0,0]=2 13 B10R1.18 NC(=O)CN1CCCCC1 OTV000055 [0,0,0,0,0,0|2,0,0]=2 14 B10R1.18 NC(=O)CN1CCNCC1 CDS002931 [0,0,0,0,0,0|3,0,0]=3 15 B10R1.18 NC(=O)NC1CCCCC1 S375047 [0,0,0,0,0,0|2,0,0]=2 16 B10R1.18 NC(=S)CN1CCOCC1 OTV000700 [0,0,0,0,0,0|3,1,0]=4 17 B10R1.18 NC(=S)NC1CCCCC1 PH002195 [0,0,0,0,0,0|2,1,0]=3 18 B10R1.18 O=C(O)CC1CCCCN1 R409952 [0,0,0,0,0,0|1,0,0]=1 19 B10R1.18 O=C(O)CC1CCCNC1 PH010234 [0,0,0,0,0,0|1,0,0]=1 20 B10R1.18 O=C(O)CC1CCNCC1 CBR01414 [0,0,0,0,0,0|1,0,0]=1 21 B10R1.18 O=C(O)CC1CCNCC1 CDS007853 [0,0,0,0,0,0|1,0,0]=1 22 B10R1.18 O=C(O)CC1CCNCC1 CDS021798 [0,0,0,0,0,0|1,0,0]=1 23 B10R1.18 O=C(O)CC1CCOCC1 CDS006056 [0,0,0,0,0,0|1,0,0]=1 24 B10R1.18 O=C(O)CN1CCCCC1 CDS005123 [0,0,0,0,0,0|1,0,0]=1 25 B10R1.18 O=C(O)CN1CCCCC1 L481130 [0,0,0,0,0,0|1,0,0]=1 26 B10R1.18 O=C(O)CN1CCOCC1 ANV00112 [0,0,0,0,0,0|2,0,0]=2 27 B10R1.18 O=C(O)CN1CCOCC1 CDS007579 [0,0,0,0,0,0|2,0,0]=2 28 B10R1.18 O=[N+]([O-])CC1=CCCCC1 PH010260 [0,0,0,0,0,0|1,0,3]=4 29 B10R1.18 OB(O)CC1CCCCC1 CDS004056 [0,0,0,0,0,0|1,0,1]=2 30 B9R1.8 BrCCC1CCCCN1 CBR00714 [1,0,0,0,0,0|2,0,1]=4 31 B9R1.8 C=CCC1COCCO1 PH007722 [1,0,0,0,0,0|3,0,0]=4 32 B9R1.8 CNCC1CCCCO1 CDS005693 [1,0,0,0,0,0|3,0,0]=4 33 B9R1.8 CNCC1CCOCC1 CDS009689 [1,0,0,0,0,0|3,0,0]=4 34 B9R1.8 COCC1CCCCN1 CDS005671 [1,0,0,0,0,0|3,0,0]=4 35 B9R1.8 ClCCN1CCCCC1 PH010519 [1,0,0,0,0,0|2,0,1]=4 36 B9R1.8 N#CCN1CCCCC1 S409871 [1,0,0,0,0,0|2,0,1]=4 37 B9R1.8 N1CCC(CC1)CCC S409944 [1,0,0,0,0,0|2,0,1]=4 38 B9R1.8 NCCC1CCCCC1 CDS013643 [1,0,0,0,0,0|1,0,1]=3 39 B9R1.8 NCCC1CCCOC1 CDS009278 [1,0,0,0,0,0|2,0,1]=4 40 B9R1.8 NCCC1CCOCC1 CDS006180 [1,0,0,0,0,0|2,0,1]=4 41 B9R1.8 OCCC1CCCCO1 T177393 [1,0,0,0,0,0|1,0,1]=3 42 B9R1.8 OCCC1CNCCO1 CDS009186 [1,0,0,0,0,0|2,0,1]=4 43 B11R1.20 CC(=O)NC1CCC(CC1)O CDS000512 [0,1,0,0,0,0|2,0,0]=3 44 B11R1.20 CC(=O)N[C@H]1CC[C@@H](CC1)N PH018847 [0,1,0,0,0,0|2,0,0]=3 45 B11R1.20 CC(=O)OC1CCC(CC1)O S722197 [0,1,0,0,0,0|2,0,0]=3 46 B11R1.20 CC1CCC(=CC(=O)O)CC1 S701572 [0,1,0,0,0,0|0,0,2]=3 47 B11R1.20 CC1CCN(CC1)CC(=O)N R433535 [0,1,0,0,0,0|2,0,0]=3 48 B11R1.20 CN1CCC(=CC(=O)O)CC1 CBR00374 [0,1,0,0,0,0|1,0,2]=4 49 B11R1.20 CN1CCC(CC1)CC(=N)N CBR01026 [0,1,0,0,0,0|3,0,0]=4 50 B11R1.20 CN1CCC(CC1)CC(=N)N PH015043 [0,1,0,0,0,0|3,0,0]=4 51 B11R1.20 CN1CCC(CC1)OC(=O)N PH012385 [0,1,0,0,0,0|3,0,0]=4 52 B11R1.20 NC1CCN(CC1)CC(=O)O CBR00672 [0,1,0,0,0,0|1,0,0]=2 53 B11R1.36 CC(=O)C(C)C1CCCCC1 S497606 [0,1,0,0,0,0|1,0,0]=2 54 B11R1.36 CC(C(=O)O)C1CCCNC1 PH007819 [0,1,0,0,0,0|1,0,0]=2 55 B11R1.36 CC(C(=O)O)C1CCNCC1 CBR01409 [0,1,0,0,0,0|1,0,0]=2 56 B11R1.36 CC(C(=O)O)N1CCOCC1 CBR00946 [0,1,0,0,0,0|2,0,0]=3 57 B11R1.36 CC(O)C(C)C1CCCCC1 R228133 [0,1,0,0,0,0|1,0,1]=3 58 B11R1.36 CC(O)C(C)C1CCCCC1 S325317 [0,1,0,0,0,0|1,0,1]=3 59 B11R1.36 NC(C(=O)O)C1C=CCCC1 PH000749 [0,1,0,0,0,0|0,0,2]=3 60 B11R1.36 NC(C(=O)O)C1CCOCC1 CDS008666 [0,1,0,0,0,0|1,0,0]=2 61 B11R1.36 O=C(O)C(=O)N1CCOCC1 CDS023248 [0,1,0,0,0,0|2,0,1]=4 62 B11R1.40 C(=C1CCCCC1)C(=O)OC T184454 [0,1,0,0,0,0|0,0,2]=3 63 B11R1.40 CCC(=O)NC1CCCCC1 PH004228 [0,1,0,0,0,0|2,0,0]=3 64 B11R1.40 CNC(=O)NC1CCCCC1 S604569 [0,1,0,0,0,0|2,0,0]=3 65 B11R1.40 CNC(=S)NC1CCCCC1 PH010046 [0,1,0,0,0,0|2,1,0]=4 66 B11R1.40 COC(=O)CC1CCNCC1 CDS003616 [0,1,0,0,0,0|1,0,0]=2 67 B11R1.40 COC(=O)CN1CCNCC1 CBR01724 [0,1,0,0,0,0|2,0,0]=3 68 B11R1.40 NNC(=O)CN1CCOCC1 CBR01496 [0,1,0,0,0,0|3,0,0]=4 69 B11R1.40 NNC(=S)NC1CCCCC1 CDS004498 [0,1,0,0,0,0|2,1,0]=4 70 B11R1.40 O=C(CBr)OC1CCCCC1 PH001483 [0,1,0,0,0,0|2,0,0]=3 71 B11R1.40 O=C(CCl)OC1CCCCC1 PH009865 [0,1,0,0,0,0|2,0,0]=3 72 B11R1.40 O=C(CI)NC1CCCCC1 PH006183 [0,1,0,0,0,0|2,0,0]=3 73 B11R1.40 O=C(NO)NC1CCCCC1 PH008314 [0,1,0,0,0,0|1,0,0]=2 74 B11R1.40 [NH4]SC(=S)NC1CCCCC1 S537039 [0,1,0,0,0,0|1,2,0]=4 75 B11R1.86 CC(=O)CN1CCCCC1C R433667 [0,1,0,0,0,0|2,0,0]=3 76 B11R1.86 CC(C)C[C@H]1CCCC[C@H]1N PH018572 [0,1,0,0,0,0|2,0,1]=4 77 B11R1.86 CC(O)CN1CCCCC1C PH015080 [0,1,0,0,0,0|2,0,1]=4 78 B11R1.86 CC1CCCCC1CC(=O)O L127892 [0,1,0,0,0,0|0,0,0]=1 79 B11R1.86 CC\1CCCC/C1=C\C(=O)O L128546 [0,1,0,0,0,0|0,0,2]=3 80 B11R1.86 CN1CCCNC1CC(=O)O PH016926 [0,1,0,0,0,0|2,0,0]=3 81 B11R1.157 CC1CCCN(C1)CC(=O)O CBR00247 [0,1,0,0,0,0|1,0,0]=2 82 B11R1.157 O=C(O)CC1CCCC(=O)C1 PH018197 [0,1,0,0,0,0|0,0,1]=2 83 B11R1.157 O=C(O)CN1CCNC(=O)C1 CBR00238 [0,1,0,0,0,0|2,0,1]=4 84 B11R1.509 CS(=O)(=O)CC1CCCNC1 CBR02440 [0,1,0,0,0,0|2,0,1]=4 85 B11R1.509 NS(=O)(=O)NC1CCCCC1 PH000616 [0,1,0,0,0,0|2,0,1]=4 86 B11R1.509 O=P(O)(O)CN1CCOCC1 PH012838 [0,1,0,0,0,0|3,0,0]=4 87 B11R1.509 O=S(=O)(Cl)CC1CCCCO1 CDS012288 [0,1,0,0,0,0|2,0,1]=4 88 B11R1.928 CC(=O)NC1(CCCCC1)C PH011306 [0,1,0,0,0,0|2,0,0]=3 89 B11R1.928 NC1(CCOCC1)CC(=O)O CBR02168 [0,1,0,0,0,0|1,0,0]=2 90 B11R1.928 O=C(O)CC1(CCCCC1)O CDS001976 [0,1,0,0,0,0|0,0,0]=1 91 B9R0.2 CCCC/C=C/CC(=O)O CDS000466 [0,0,1,0,0,0|0,0,2]=3 92 B9R0.2 CCCCCCCC(C)Br S438758 [0,0,1,0,0,0|2,0,1]=4 93 B9R0.2 CCCNOCCC(=O)C S581321 [0,0,1,0,0,0|3,0,0]=4 94 B9R0.2 COCCCCCC(=O)O CBR00492 [0,0,1,0,0,0|1,0,0]=2 95 B9R0.4 CCCCC(=O)CC(=O)C CDS001230 [0,0,1,0,0,0|2,0,1]=4 96 B9R0.4 CCCCC(=O)CC(=O)C S839590 [0,0,1,0,0,0|2,0,1]=4 97 B9R0.4 CCCCC(N)CC(=O)O CBR00513 [0,0,1,0,0,0|1,0,0]=2 98 B9R0.14 CCCC(=CC(=O)O)CC S361712 [0,0,1,0,0,0|0,0,2]=3 99 B9R0.14 CCCC(CC)NC(=O)N S502553 [0,0,1,0,0,0|2,0,0]=3 100 B11R2.10 O=C1C=C2CCCCC2C1 S58549 [0,0,0,1,0,0|1,0,1]=3 101 B11R2.10 O=C1CC2CC=CC[C@@H]2O1 S330272 [0,0,0,1,0,0|0,0,2]=3 102 B11R2.10 OC1CC2CCCCN2C1 CDS024575 [0,0,0,1,0,0|2,0,1]=4 103 B11R2.10 S=C1NC2CCCCC2N1 R703389 [0,0,0,1,0,0|2,1,0]=4 104 B11R2.10 [C@H]12CCCC[C@@H]1CC(=O)N2 T299146 [0,0,0,1,0,0|1,0,0]=2 105 B11R2.678 O=C1CC2CCCC(C1)C2 T293415 [0,0,0,1,0,0|1,0,0]=2 106 B9R1.6 CC(=O)C1CCCCC1 PH000084 [0,0,0,0,1,0|1,0,0]=2 107 B9R1.6 CC(=O)C1CCCNC1 CBR02306 [0,0,0,0,1,0|2,0,0]=3 108 B9R1.6 N=C(N)N1CCCCC1 CDS014887 [0,0,0,0,1,0|3,0,0]=4 109 B9R1.6 NC(=O)C1CCCCN1 CDS009633 [0,0,0,0,1,0|2,0,0]=3 110 B9R1.6 NC(=O)N1CCNCC1 CDS002866 [0,0,0,0,1,0|3,0,0]=4 111 B9R1.6 NC(=S)C1CCNCC1 CBR01740 [0,0,0,0,1,0|2,1,0]=4 112 B9R1.6 O=C(Cl)C1CC=CCC1 PH015122 [0,0,0,0,1,0|1,0,2]=4 113 B9R1.6 O=C(Cl)C1CCOCC1 CDS016614 [0,0,0,0,1,0|2,0,0]=3 114 B9R1.6 O=C(Cl)C1CCOCC1 SYX00374 [0,0,0,0,1,0|2,0,0]=3 115 B9R1.6 O=C(O)C1=COCCC1 CDS022220 [0,0,0,0,1,0|1,0,2]=4 116 B9R1.6 O=C(O)C1CCCCO1 CDS015473 [0,0,0,0,1,0|1,0,0]=2 117 B9R1.6 O=C(O)C1CCCOC1 CDS010407 [0,0,0,0,1,0|1,0,0]=2 118 B9R1.6 O=C(O)C1CCSCN1 CBR00886 [0,0,0,0,1,0|2,0,0]=3 119 B9R1.6 O=C(O)C1CNCCN1 PH011527 [0,0,0,0,1,0|2,0,0]=3 120 B9R1.6 O=C(O)C1CNCCO1 CDS017627 [0,0,0,0,1,0|2,0,0]=3 121 B9R1.13 C=C(Cl)CN1CCCC1 PH012633 [0,0,0,0,1,0|3,0,0]=4 122 B9R1.13 CC(=O)C=C1CCCC1 L170097 [0,0,0,0,1,0|1,0,2]=4 123 B9R1.13 CC(=O)CC1CCCC1 L162353 [0,0,0,0,1,0|1,0,0]=2 124 B9R1.13 CC(=O)CC1OCCO1 S561088 [0,0,0,0,1,0|3,0,0]=4 125 B9R1.13 CC(=O)OC1CCCC1 CDS018837 [0,0,0,0,1,0|2,0,0]=3 126 B9R1.13 CC(O)CN1CCCC1 S370576 [0,0,0,0,1,0|2,0,1]=4 127 B9R1.13 NC(=O)NC1CCCC1 S345148 [0,0,0,0,1,0|2,0,0]=3 128 B9R1.13 O=C(Cl)CC1CCCC1 CDS001438 [0,0,0,0,1,0|1,0,0]=2 129 B9R1.13 O=C(O)C=C1CCCC1 S757934 [0,0,0,0,1,0|0,0,2]=3 130 B9R1.13 O=C(O)CC1CCCO1 CDS001898 [0,0,0,0,1,0|1,0,0]=2 131 B9R1.13 O=C(O)CN1CCCC1 ANV00142 [0,0,0,0,1,0|1,0,0]=2 132 B9R1.13 O=C(O)CN1CCCC1 L481092 [0,0,0,0,1,0|1,0,0]=2 133 B11R1.91 C=C(C)CNC1CCCCC1 PH012104 [0,0,0,0,0,1|2,0,0]=3 134 B11R1.91 CC(=O)CCN1CCCCC1 S429961 [0,0,0,0,0,1|2,0,0]=3 135 B11R1.91 CC(=O)NCC1CCCNC1 CBR01926 [0,0,0,0,0,1|2,0,0]=3 136 B11R1.91 CC(=O)NCC1CCNCC1 CBR01056 [0,0,0,0,0,1|2,0,0]=3 137 B11R1.91 CC(=O)OCC1CCCCO1 S364959 [0,0,0,0,0,1|2,0,0]=3 138 B11R1.91 CC(O)CNC1CCCCC1 PH010876 [0,0,0,0,0,1|1,0,1]=3 139 B11R1.91 CC(O)CNC1CCCCC1 S509108 [0,0,0,0,0,1|1,0,1]=3 140 B11R1.91 NC(=O)CCC1CCCCC1 EME00450 [0,0,0,0,0,1|1,0,0]=2 141 B11R1.91 NC(=O)CCC1CCCNC1 CBR00857 [0,0,0,0,0,1|2,0,0]=3 142 B11R1.91 NC(=O)CCC1CCNCC1 CBR02356 [0,0,0,0,0,1|2,0,0]=3 143 B11R1.91 NC(=O)CCN1CCNCC1 PH015744 [0,0,0,0,0,1|3,0,0]=4 144 B11R1.91 NC(=O)COC1CCCNC1 PH019145 [0,0,0,0,0,1|2,0,0]=3 145 B11R1.91 NC(=O)NCC1CCCCC1 S517046 [0,0,0,0,0,1|1,0,0]=2 146 B11R1.91 O=C(O)CCN1CCCCO1 CBR02338 [0,0,0,0,0,1|2,0,0]=3 147 B11R1.91 O=C(O)CCN1CCOCC1 L481122 [0,0,0,0,0,1|2,0,0]=3 148 B11R1.91 O=C(O)CNC1CCCCC1 PH010418 [0,0,0,0,0,1|0,0,0]=1 149 B11R1.91 O=C([O-])CSC1CCCCO1 S722529 [0,0,0,0,0,1|1,0,1]=3 150 B11R1.742 CC(=O)OC1CCC=CCC1 T166618 [0,0,0,0,0,1|2,0,1]=4 151 B11R1.742 CC(O)CN1CCCCCC1 S350524 [0,0,0,0,0,1|2,0,1]=4 152 B11R1.742 NC(=O)NC1CCCCCC1 S344907 [0,0,0,0,0,1|2,0,0]=3 153 B11R1.742 O=C(O)CN1CCCCCC1 CBR00324 [0,0,0,0,0,1|1,0,0]=2 154 B8R0.4 CCCCCCCSC S570729 [1,0,1,0,0,0|2,0,0]=4 155 B8R0.4 CCCCCCC[Hg]Cl S572500 [1,0,1,0,0,0|2,0,0]=4 156 B8R0.4 CCCCCSCCO S357928 [1,0,1,0,0,0|1,0,1]=4 157 B8R0.4 CCNCCCCCO PH007898 [1,0,1,0,0,0|1,0,1]=4 158 B8R0.4 CSCCCCCCO S931667 [1,0,1,0,0,0|1,0,1]=4 159 B8R0.7 CCC/C=C/CC(=O)O CDS000348 [1,0,1,0,0,0|0,0,2]=4 160 B8R0.7 CCCCCOC(=O)Cl CDS000346 [1,0,1,0,0,0|2,0,0]=4 161 B8R0.7 CCCCOCC(=O)O CDS008145 [1,0,1,0,0,0|1,0,0]=3 162 B8R0.7 CCCNCCC(=O)O OTV000481 [1,0,1,0,0,0|1,0,0]=3 163 B8R0.7 CCSCCCC(=O)O PH008798 [1,0,1,0,0,0|1,0,0]=3 164 B8R0.7 NC(=O)CCCCCBr CDS003086 [1,0,1,0,0,0|2,0,0]=4 165 B8R0.7 NCCCCCC(=O)N CDS015235 [1,0,1,0,0,0|2,0,0]=4 166 B8R0.7 NCCSCCC(=O)O PH011733 [1,0,1,0,0,0|2,0,0]=4 167 B8R0.7 O=C(O)CCNCCO S888699 [1,0,1,0,0,0|2,0,0]=4 168 B8R0.7 O=C(O)CCOCCO CDS021155 [1,0,1,0,0,0|2,0,0]=4 169 B8R0.1 CCCCN(C)CCO PH017931 [1,0,1,0,0,0|1,0,1]=4 170 B8R0.5 CCCC(N)CC(=O)O BBO000362 [1,0,1,0,0,0|1,0,0]=3 171 B8R0.16 CCN(CC)CC(=O)O PH011958 [1,0,1,0,0,0|1,0,0]=3 172 B8R1.2 BrCC1CCOCC1 CDS013754 [2,0,0,0,0,0|2,0,0]=4 173 B8R1.2 NCC1CCCCO1 CDS006458 [2,0,0,0,0,0|2,0,0]=4 174 B8R1.2 NCC1CCCCO1 CDS006719 [2,0,0,0,0,0|2,0,0]=4 175 B8R1.2 NCC1CCCNC1 CDS013586 [2,0,0,0,0,0|2,0,0]=4 176 B8R1.2 NCC1CCOCC1 CDS003651 [2,0,0,0,0,0|2,0,0]=4 177 B8R1.2 NNC1CCCCC1 S859435 [2,0,0,0,0,0|2,0,0]=4 178 B8R1.2 O=CC1CCCCO1 CDS019507 [2,0,0,0,0,0|1,0,0]=3 179 B8R1.2 O=CC1CCNCC1 CDS013816 [2,0,0,0,0,0|1,0,0]=3 180 B8R1.2 O=CC1CCOCC1 CDS020197 [2,0,0,0,0,0|1,0,0]=3 181 B8R1.2 O=CC1CCSCC1 CDS020250 [2,0,0,0,0,0|1,0,0]=3 182 B8R1.2 OCC1CCCOC1 CDS015486 [2,0,0,0,0,0|1,0,0]=3 183 B8R1.2 SCC1CCCCC1 CDS020661 [2,0,0,0,0,0|0,1,0]=3 184 B8R1.2 SCN1CCCCC1 S302953 [2,0,0,0,0,0|1,1,0]=4 185 B10R0.3 CCOC(=O)CCCC(=O)O PH011452 [0,1,1,0,0,0|1,0,1]=4 186 B10R0.4 CCCCC/C=C/CC(=O)O CDS000243 [0,1,1,0,0,0|0,0,1]=3 187 B10R0.4 CCCCCCC#CC(=O)O S354023 [0,1,1,0,0,0|0,0,1]=3 188 B10R0.4 CCCCCCCCC(=N)N PH012190 [0,1,1,0,0,0|2,0,0]=4 189 B10R0.4 CCCCCCCCC(=O)N S595268 [0,1,1,0,0,0|1,0,0]=3 190 B10R0.4 CCCCCCCC[N+](=O)[O-] S917680 [0,1,1,0,0,0|1,0,1]=4 191 B10R0.4 CCCCCCCNC(=O)C R704377 [0,1,1,0,0,0|1,0,0]=3 192 B10R0.4 CCCCCCCNC(=O)N S516643 [0,1,1,0,0,0|1,0,0]=3 193 B10R0.55 CC[C@H](O)CCCCC(=O)C T263230 [0,1,1,0,0,0|1,0,0]=3 194 B10R0.74 CCCCCCCC(=O)CC S544043 [0,1,1,0,0,0|1,0,0]=3 195 B10R0.74 CCCCCCCC(=O)NO CDS000528 [0,1,1,0,0,0|0,0,0]=2 196 B10R0.74 CCCCCCCC(=O)N[O-] S756199 [0,1,1,0,0,0|0,0,1]=3 197 B10R0.74 CCCCCCCC(O)CC CDS001495 [0,1,1,0,0,0|1,0,1]=4 198 B10R0.74 CCCCCCNC(=O)NC S892793 [0,1,1,0,0,0|2,0,0]=4 199 B10R0.74 CCCCCCOC(=O)CCl OTV000847 [0,1,1,0,0,0|2,0,0]=4 200 B10R0.75 NCCCCCC(N)C(=O)O PH008399 [0,1,1,0,0,0|1,0,0]=3 201 B10R0.78 COCNC(N)CCC(=O)O R434884 [0,1,1,0,0,0|2,0,0]=4 202 B10R0.44 CC[C@@H](C)C[C@H](N)CC(=O)O PH001846 [0,1,1,0,0,0|1,0,0]=3 203 B10R0.102 CCCC(O)(CC)CC(=N)C S762172 [0,1,1,0,0,0|2,0,0]=4 204 B10R1.1 CN1CCC(CC1)CC=O CDS012007 [1,1,0,0,0,0|1,0,0]=3 205 B10R1.4 CCCC1CCCCC1O S365769 [1,1,0,0,0,0|1,0,1]=4 206 B10R1.15 CC(C=O)C1CCCCC1 PH015130 [1,1,0,0,0,0|0,0,0]=2 207 B10R1.15 CC(CO)C1CCCCC1 PH015232 [1,1,0,0,0,0|0,0,1]=3 208 B10R1.15 CCC(O)C1CCCCC1 PH000035 [1,1,0,0,0,0|1,0,1]=4 209 B10R1.15 CNC(C)C1CCCCC1 PH013058 [1,1,0,0,0,0|2,0,0]=4 210 B10R1.17 BrCCCC1CCCCC1 S345016 [1,1,0,0,0,0|1,0,1]=4 211 B10R1.17 C#CCNC1CCCCC1 CDS018913 [1,1,0,0,0,0|1,0,1]=4 212 B10R1.17 CCCNC1CCCCC1 CDS008806 [1,1,0,0,0,0|1,0,1]=4 213 B10R1.17 COCCC1CCCCN1 CBR00752 [1,1,0,0,0,0|1,0,1]=4 214 B10R1.17 ClCCCC1CCCCC1 R426857 [1,1,0,0,0,0|1,0,1]=4 215 B10R1.17 N#CCCC1CCCCC1 PH010247 [1,1,0,0,0,0|1,0,1]=4 216 B10R1.17 O=CCCC1CCCCC1 CDS019184 [1,1,0,0,0,0|0,0,0]=2 217 B10R1.17 OCCCC1CCCCN1 CBR01786 [1,1,0,0,0,0|1,0,1]=4 218 B10R1.17 OCCCC1CCCNC1 CBR00005 [1,1,0,0,0,0|1,0,1]=4 219 B10R1.17 OCCNC1CCCCC1 T308269 [1,1,0,0,0,0|0,0,1]=3 220 B10R1.377 C=CCC1(CCCCC1)O S429104 [1,1,0,0,0,0|1,0,0]=3 221 B10R1.13 CC(=O)N1CCC(CC1)N CDS010756 [0,1,0,0,1,0|2,0,0]=4 222 B10R1.13 CC1CCC(CC1)C(C)O PH000605 [0,1,0,0,1,0|1,0,1]=4 223 B10R1.13 CN1CCC(CC1)C(=O)O PH009778 [0,1,0,0,1,0|1,0,0]=3 224 B10R1.13 NC1CCC(CC1)C(=O)O CDS000161 [0,1,0,0,1,0|0,0,0]=2 225 B10R1.13 O=C(O)C1CCC(CC1)F MNO000187 [0,1,0,0,1,0|0,0,0]=2 226 B10R1.13 [C@@H]1(CC[C@H](CC1)C(=O)O)O ANV00233 [0,1,0,0,1,0|0,0,0]=2 227 B10R1.28 CC(C)(O)C1CCCCC1 T294985 [0,1,0,0,1,0|1,0,1]=4 228 B10R1.28 O=S(=O)(O)C1CCCCC1 PH018131 [0,1,0,0,1,0|1,0,0]=3 229 B10R1.61 CC(=O)[C@@H]1CCCC[C@@H]1N PH016419 [0,1,0,0,1,0|1,0,0]=3 230 B10R1.61 CC(O)C1CCCCC1O S362417 [0,1,0,0,1,0|1,0,1]=4 231 B10R1.61 CC1C=CCCC1C(=O)O PH008388 [0,1,0,0,1,0|0,0,2]=4 232 B10R1.61 CC1CNCCC1C(=O)O CDS008293 [0,1,0,0,1,0|1,0,0]=3 233 B10R1.61 NC(=O)[C@@H]1CCCC[C@@H]1N BBO000407 [0,1,0,0,1,0|1,0,0]=3 234 B10R1.61 N[C@H]1C=CCC[C@H]1C(=O)O BBO000684 [0,1,0,0,1,0|0,0,2]=4 235 B10R1.61 N[C@H]1CC=CC[C@@H]1C(=O)O BBO000678 [0,1,0,0,1,0|0,0,2]=4 236 B10R1.61 N[C@H]1CC=CC[C@H]1C(=O)O BBO000677 [0,1,0,0,1,0|0,0,2]=4 237 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O CDS008979 [0,1,0,0,1,0|0,0,0]=2 238 B10R1.61 O=C(O)C1CCCCC1=O CDS021562 [0,1,0,0,1,0|0,0,1]=3 239 B10R1.61 O=C(O)C1CCCNC1=O CBR01770 [0,1,0,0,1,0|1,0,1]=4 240 B10R1.61 O=C(O)[C@H]1CCCC[C@H]1O R548480 [0,1,0,0,1,0|0,0,0]=2 241 B10R1.113 CC(=O)N1CCCC(C1)N CBR00904 [0,1,0,0,1,0|2,0,0]=4 242 B10R1.113 CC(=O)N1CCCC(C1)O CBR01458 [0,1,0,0,1,0|2,0,0]=4 243 B10R1.113 CN1CCCC(C1)C(=O)N PH013754 [0,1,0,0,1,0|2,0,0]=4 244 B10R1.113 CN1CCCC(C1)C(=O)O CDS003577 [0,1,0,0,1,0|1,0,0]=3 245 B10R1.113 CN1CCCC(C1)C(=O)O CDS015858 [0,1,0,0,1,0|1,0,0]=3 246 B10R1.113 CN1CCNC(C1)C(=O)O CBR02466 [0,1,0,0,1,0|2,0,0]=4 247 B10R1.113 CN1CCOC(C1)C(=O)O CDS009752 [0,1,0,0,1,0|2,0,0]=4 248 B10R1.113 NC(=O)[C@H]1CCC[C@@H](C1)N CDS023691 [0,1,0,0,1,0|1,0,0]=3 249 B10R1.113 NC1CCCC(C1)C(=O)O CDS000338 [0,1,0,0,1,0|0,0,0]=2 250 B10R1.113 O=C(O)C1CNCC(C1)O CDS021813 [0,1,0,0,1,0|1,0,0]=3 251 B10R1.113 O=C1CCCC(N1)C(=O)O CDS003761 [0,1,0,0,1,0|1,0,1]=4 252 B10R1.363 CC1(CCCCC1)C(=O)Cl S662380 [0,1,0,0,1,0|1,0,0]=3 253 B10R1.363 CC1(CCCNC1)C(=O)N CBR02426 [0,1,0,0,1,0|2,0,0]=4 254 B10R1.363 CC1(CCCNC1)C(=O)O CBR01687 [0,1,0,0,1,0|1,0,0]=3 255 B10R1.363 CC1(CCCNC1)C(=O)O PHB00204 [0,1,0,0,1,0|1,0,0]=3 256 B10R1.363 CC1(CCNCC1)C(=O)N CBR01691 [0,1,0,0,1,0|2,0,0]=4 257 B10R1.363 CC1(CCNCC1)C(=O)O CBR01543 [0,1,0,0,1,0|1,0,0]=3 258 B10R1.363 C[C@]1(C=CCCC1)C(=O)O T286788 [0,1,0,0,1,0|0,0,2]=4 259 B10R1.363 N=C(N)C1(CCCCC1)O PH016272 [0,1,0,0,1,0|2,0,0]=4 260 B10R1.363 NC(=O)C1(CCCCC1)Cl PH007086 [0,1,0,0,1,0|1,0,0]=3 261 B10R1.363 NC(=O)C1(CCCCC1)N CBR01964 [0,1,0,0,1,0|1,0,0]=3 262 B10R1.363 NC1(CCCCC1)C(=O)O S235024 [0,1,0,0,1,0|0,0,0]=2 263 B10R1.363 O=C(O)C1(CCNCC1)O CBR01688 [0,1,0,0,1,0|1,0,0]=3 264 B10R1.23 CN(C(=O)N)C1CCCC1 S345121 [0,1,0,0,1,0|2,0,0]=4 265 B10R1.23 N[C@@H](C(=O)O)C1CCCC1 PH016094 [0,1,0,0,1,0|0,0,0]=2 266 B10R1.23 N[C@H](C(=O)O)C1CCCC1 PH009812 [0,1,0,0,1,0|0,0,0]=2 267 B10R1.27 COC(=O)CC1CCNC1 CBR02412 [0,1,0,0,1,0|1,0,0]=3 268 B10R1.27 NNC(=O)CN1CCCC1 CBR01278 [0,1,0,0,1,0|2,0,0]=4 269 B10R1.27 NNC(=O)CN1CCCC1 PH017245 [0,1,0,0,1,0|2,0,0]=4 270 B10R1.54 CN1CCC(C1)CC(=O)O CBR02303 [0,1,0,0,1,0|1,0,0]=3 271 B10R1.64 CC(=O)CC1CCCC1=O L166758 [0,1,0,0,1,0|1,0,1]=4 272 B10R1.64 CN1CCCC1CC(=O)O PH018759 [0,1,0,0,1,0|1,0,0]=3 273 B10R1.64 CN1CCC[C@H]1CC(=O)O PH018830 [0,1,0,0,1,0|1,0,0]=3 274 B10R1.64 O=C(O)CN1CCCC1=O PH009795 [0,1,0,0,1,0|1,0,1]=4 275 B12R1.21 CC1CCN(CC1)CCC(=O)O CDS002376 [0,1,0,0,0,1|1,0,0]=3 276 B12R1.21 CN1CCN(CC1)CCC(=O)O ANV00094 [0,1,0,0,0,1|2,0,0]=4 277 B12R1.21 NC1CCC(CC1)CCC(=O)O CDS021645 [0,1,0,0,0,1|0,0,0]=2 278 B12R1.27 COC(=O)CCN1CCCCC1 PH006882 [0,1,0,0,0,1|1,0,0]=3 279 B12R1.27 COC(=O)CNC1CCOCC1 CDS023751 [0,1,0,0,0,1|1,0,0]=3 280 B12R1.27 NNC(=O)COC1CCCCC1 PH018699 [0,1,0,0,0,1|1,0,0]=3 281 B12R1.27 O=C(CCl)NCC1CCCCC1 CBR00098 [0,1,0,0,0,1|1,0,0]=3 282 B12R1.43 C/C(=C\C1CCCCC1)/C(=O)O T135801 [0,1,0,0,0,1|0,0,1]=3 283 B12R1.43 O=C(O)C(Br)CC1CCCCC1 PH016309 [0,1,0,0,0,1|0,0,0]=2 284 B12R1.107 CC(=O)CC(=O)N1CCCCC1 S350516 [0,1,0,0,0,1|2,0,0]=4 285 B12R1.107 CC(=O)CC(=O)N1CCCCC1 S787876 [0,1,0,0,0,1|2,0,0]=4 286 B12R1.107 O=C(O)CC(=O)N1CCOCC1 CBR01800 [0,1,0,0,0,1|2,0,0]=4 287 B12R1.125 CN1CCCCC1CCC(=O)O CBR01004 [0,1,0,0,0,1|1,0,0]=3 288 B12R1.125 O=C(O)CCC1CCCCC1=O PH010413 [0,1,0,0,0,1|0,0,1]=3 289 B12R1.226 CN1CCCC(C1)CCC(=O)O CBR01268 [0,1,0,0,0,1|1,0,0]=3 290 B12R1.891 CS(=O)(=O)OCC1CCCCC1 T220728 [0,1,0,0,0,1|1,0,1]=4 291 B12R1.891 O=S(=O)(O)CCC1CCCCN1 PH007384 [0,1,0,0,0,1|2,0,0]=4 292 B12R1.3110 O=C(O)C#CC1(CCCCC1)O TMT00432 [0,1,0,0,0,1|0,0,1]=3 293 B12R1.210 NC(=O)CN1CCCCCC1=O T323020 [0,1,0,0,0,1|2,0,0]=4 294 B12R1.1020 CN1CCCN(CC1)CC(=O)O CBR00721 [0,1,0,0,0,1|1,0,0]=3 295 B12R1.1020 CN1CCCN(CC1)CC(=O)O PH017382 [0,1,0,0,0,1|1,0,0]=3 296 B12R1.2197 CC(C(=O)O)N1CCCCCC1 R690996 [0,1,0,0,0,1|1,0,0]=3 297 B12R1.4 CCN1CCC(CC1)CC(=O)O CBR00999 [0,2,0,0,0,0|1,0,0]=3 298 B12R1.20 NC(C(=O)O)C1CCC(CC1)O L164623 [0,2,0,0,0,0|0,0,0]=2 299 B12R1.49 CN1CCC(CC1)C/C(=N/O)/N CBR02133 [0,2,0,0,0,0|2,0,0]=4 300 B12R1.34 C/C(=N\O)/C(=O)C1CCCCC1 R738395 [0,2,0,0,0,0|1,0,1]=4 301 B12R1.34 CN(C(=O)CCl)C1CCCCC1 PH010565 [0,2,0,0,0,0|2,0,0]=4 302 B12R1.34 COC(=O)C(Br)C1CCCCC1 S378194 [0,2,0,0,0,0|0,0,0]=2 303 B12R1.34 COC(=O)C(N)C1CCSCC1 CDS020916 [0,2,0,0,0,0|1,0,0]=3 304 B12R1.34 COC(=O)[C@@H](N)C1CCCCC1 CDS003570 [0,2,0,0,0,0|0,0,0]=2 305 B12R1.478 CCC(=C1CCCCC1)C(=O)O S405477 [0,2,0,0,0,0|0,0,2]=4 306 B12R1.478 CCC(C(=O)O)C1=CCCCC1 S407240 [0,2,0,0,0,0|0,0,2]=4 307 B12R1.478 CCN(C(=O)C)C1CCCCC1 PH008729 [0,2,0,0,0,0|2,0,0]=4 308 B12R1.478 N#CC(=C1CCCCC1)C(=O)O S782424 [0,2,0,0,0,0|0,0,2]=4 309 B12R1.32 CCCC(=O)NC1CCCCC1 PH009069 [0,2,0,0,0,0|2,0,0]=4 310 B12R1.32 CCNC(=O)NC1CCCCC1 S603562 [0,2,0,0,0,0|2,0,0]=4 311 B12R1.32 CCOC(=O)CC1=CCCCC1 S368830 [0,2,0,0,0,0|0,0,2]=4 312 B12R1.32 CCOC(=O)CC1CCCNC1 PH010419 [0,2,0,0,0,0|1,0,0]=3 313 B12R1.32 CCOC(=O)CC1CCCNC1 PHB00138 [0,2,0,0,0,0|1,0,0]=3 314 B12R1.32 CCOC(=O)CC1CCNCC1 CDS003461 [0,2,0,0,0,0|1,0,0]=3 315 B12R1.32 CCOC(=O)CN1CCOCC1 PH011005 [0,2,0,0,0,0|2,0,0]=4 316 B12R1.32 CCOC(=O)NC1CCCCC1 S361593 [0,2,0,0,0,0|1,0,0]=3 317 B12R1.32 N#CCC(=O)NC1CCCCC1 S280666 [0,2,0,0,0,0|2,0,0]=4 318 B12R1.32 N#CCC(=O)OC1CCCCC1 S615110 [0,2,0,0,0,0|2,0,0]=4 319 B12R1.371 CCC(=O)NC1CCCCC1Cl R787426 [0,2,0,0,0,0|2,0,0]=4 320 B12R1.371 CSC(=O)NC1CCCCC1Cl R788481 [0,2,0,0,0,0|1,1,0]=4 321 B12R1.371 CSC(=O)NC1CCCC[C@@H]1Cl L498491 [0,2,0,0,0,0|1,1,0]=4 322 B12R1.75 COC1CCCCC1OC(=O)C S677361 [0,2,0,0,0,0|2,0,0]=4 323 B12R1.127 CC(=O)NC1CC(CCC1C)Cl S765635 [0,2,0,0,0,0|2,0,0]=4 324 B12R1.127 CN1CCN(C(C1)CC(=O)O)C PH018453 [0,2,0,0,0,0|2,0,0]=4 325 B12R1.127 CN1CCN(C(C1)CC(=O)O)C PH019489 [0,2,0,0,0,0|2,0,0]=4 326 B12R1.1009 CC1CCCC(N1CC(=O)O)C CDS002055 [0,2,0,0,0,0|1,0,0]=3 327 B12R1.1257 CC1(CCCC(=O)C1)CC(=O)O T235539 [0,2,0,0,0,0|0,0,1]=3 328 B12R1.1257 C[C@]1(CCCC(=O)C1)CC(=O)O T291870 [0,2,0,0,0,0|0,0,1]=3 329 B12R1.3862 CC(=O)OC1(CCCCC1)C#N S431044 [0,2,0,0,0,0|2,0,0]=4 330 B10R1.39 CCN1CCC[C@H]1C(=O)O CBR01772 [0,0,1,1,0,0|1,0,0]=3 331 B10R1.66 O=C(O)CCN1CCCC1 CDS002325 [0,0,1,1,0,0|1,0,0]=3 332 B10R1.66 O=C(O)CCN1CCCO1 CBR00808 [0,0,1,1,0,0|2,0,0]=4 333 B10R1.78 O=C1C=CCCCCCC1 L169854 [0,0,1,1,0,0|1,0,1]=4 334 B10R1.348 O=C(O)C1CCC=CCC1 T165824 [0,0,1,1,0,0|0,0,2]=4 335 B10R1.348 O=[N+]([O-])C1CCCCCC1 S919098 [0,0,1,1,0,0|1,0,1]=4 336 B10R2.7 C1CCC2CCCC2C1 S457272 [1,0,0,1,0,0|1,0,1]=4 337 B10R2.7 C1CCC2NCCC2C1 CDS003552 [1,0,0,1,0,0|1,0,1]=4 338 B10R2.7 C1CC[C@@H]2CCC[C@@H]2C1 R289825 [1,0,0,1,0,0|1,0,1]=4 339 B10R2.7 C1CC[C@H]2CCCC2C1 R289841 [1,0,0,1,0,0|1,0,1]=4 340 B10R2.61 O=C1CC2CCCC1C2 T289124 [1,0,0,1,0,0|0,0,0]=2 341 B10R2.62 O=C1CC2C=CC1CC2 T287628 [1,0,0,1,0,0|0,0,2]=4 342 B10R2.62 O=C1NC2CCC1CC2 PH001109 [1,0,0,1,0,0|1,0,0]=3 343 B10R2.62 O=C1OC2CCC1CC2 PH008267 [1,0,0,1,0,0|1,0,0]=3 344 B10R2.62 OC1CC2CCC1CC2 PH008493 [1,0,0,1,0,0|0,0,1]=3 345 B10R2.62 [C@H]12CC[C@H](NC1)C(=O)O2 PH016451 [1,0,0,1,0,0|2,0,0]=4 346 B10R2.320 O=C1NC2C1CCCC2 T281948 [1,0,0,1,0,0|1,0,0]=3 347 B10R2.408 C1C[C@@H]2CNC[C@H](C1)C2 PH019131 [1,0,0,1,0,0|2,0,0]=4 348 B10R2.351 O=C(O)C1C2C1CC=C2 T188301 [0,0,0,1,1,0|0,0,2]=4 349 B12R2.24 C12CCCCC1NC(=O)CC2 S782548 [0,0,0,1,0,1|1,0,0]=3 350 B12R2.24 O=C1CN2CCCCC2CN1 T162582 [0,0,0,1,0,1|2,0,0]=4 351 B12R2.1392 O=C(O)C1CC2CCC1CC2 S928674 [0,0,0,1,0,1|0,0,0]=2 352 B12R2.2918 CC1COC2(O1)CCCCC2 S363685 [0,0,0,1,0,1|1,0,1]=4 353 B12R2.2918 O=C1CC2(CCNCC2)CN1 CDS023378 [0,0,0,1,0,1|2,0,0]=4 354 B12R2.2918 O=C1CCC2(N1)CCCCC2 PH008917 [0,0,0,1,0,1|1,0,0]=3 355 B12R2.2918 O=C1CCC2(O1)CCCCC2 T223042 [0,0,0,1,0,1|0,0,0]=2 356 B12R2.2918 O=C1CSC2(N1)CCCCC2 PH010365 [0,0,0,1,0,1|1,0,0]=3 357 B12R2.2918 O=C1NCC2(O1)CCNCC2 CDS021614 [0,0,0,1,0,1|1,0,0]=3 358 B12R2.2918 S=C1NCC2(N1)CCCCC2 T149276 [0,0,0,1,0,1|1,1,0]=4 359 B12R2.32 CNC1=NC2CCCCC2O1 S420638 [0,1,0,1,0,0|2,0,0]=4 360 B12R2.4134 C=CC1(CC2CCCC1C2)O T247871 [0,1,0,1,0,0|1,0,1]=4 361 B12R2.19 [C@@H]12CCCC[C@@]1(NC(=O)O2)C T167711 [0,1,0,1,0,0|1,0,0]=3 362 B12R2.202 OC1C[C@@H]2CCC[C@H]([C@@H]2O1)I T264679 [0,1,0,1,0,0|0,0,2]=4 363 B12R2.1661 CC(=O)OC1CC2CCC1C2 S957747 [0,1,0,1,0,0|2,0,0]=4 364 B12R2.1661 O=C(O)C[C@@H]1C[C@@H]2C=C[C@H]1C2 CDS008399 [0,1,0,1,0,0|0,0,2]=4 365 B12R2.1661 [C@H]12CC[C@H](C1)CC2SC(=O)C S431249 [0,1,0,1,0,0|2,0,0]=4 366 B12R2.1153 O=C1CC2CCCC(C1)(C2)O T276936 [0,1,0,1,0,0|1,0,0]=3 367 B12R2.411 C=C1CC1C2(CCCCC2)C R238279 [0,1,0,1,0,0|2,0,0]=4 368 B12R2.411 C=C1CC1C2(CCCCC2)O R238872 [0,1,0,1,0,0|2,0,0]=4 369 B12R3.1681 O=C1NC2CCCC3C1C23 T174343 [0,0,0,2,0,0|1,0,0]=3 370 B8R0.8 CCC/C=C(\C)/C(=O)O CDS000408 [0,0,1,0,1,0|0,0,2]=4 371 B8R0.8 CCCCC(C)C(=O)Cl PH011486 [0,0,1,0,1,0|1,0,0]=3 372 B8R0.8 CCCCC(C)C(C)O S374199 [0,0,1,0,1,0|1,0,1]=4 373 B8R0.8 CCCCC(N)C(=O)N CDS003890 [0,0,1,0,1,0|2,0,0]=4 374 B8R0.8 CSCCC(O)C(=O)O PH000120 [0,0,1,0,1,0|2,0,0]=4 375 B8R0.8 NCCCC(N)C(=O)O S594881 [0,0,1,0,1,0|2,0,0]=4 376 B8R0.8 [C@H](N)(CSCC)C(=O)O S361615 [0,0,1,0,1,0|2,0,0]=4 377 B8R1.8 NCCC1CCCC1 CDS008185 [1,0,0,0,1,0|1,0,1]=4 378 B8R1.8 NCCC1CCCC1 T175072 [1,0,0,0,1,0|1,0,1]=4 379 B8R1.7 NC(=O)C1CCCC1 EME00440 [0,0,0,0,2,0|1,0,0]=3 380 B8R1.7 NC(=O)C1CCCN1 CDS008010 [0,0,0,0,2,0|2,0,0]=4 381 B8R1.7 O=C(O)C1CCNC1 CDS007406 [0,0,0,0,2,0|1,0,0]=3 382 B8R1.7 O=C(O)[C@@H]1CSCN1 PH000111 [0,0,0,0,2,0|2,0,0]=4 383 B8R1.34 O=C(O)C=C1CCC1 T165123 [0,0,0,0,2,0|0,0,2]=4 384 B8R1.34 O=C(O)CC1CNC1 PHB00031 [0,0,0,0,2,0|1,0,0]=3 385 B10R1.85 NCCC1CCCCCC1 CBR01497 [1,0,0,0,0,1|1,0,1]=4 386 B10R1.85 OCCN1CCCCCC1 S362328 [1,0,0,0,0,1|1,0,1]=4 387 B12R1.252 CC(=O)CCC=C1CCCCC1 T326119 [0,0,0,0,0,2|1,0,1]=4 388 B12R1.252 CC(=O)NCCC1CCCCN1 CBR01178 [0,0,0,0,0,2|2,0,0]=4 389 B12R1.252 CC(=O)OCCC1CCCCO1 T177571 [0,0,0,0,0,2|2,0,0]=4 390 B12R1.252 NC(=O)CCCC1CCCCC1 L159417 [0,0,0,0,0,2|1,0,0]=3 391 B12R1.252 O=C(O)CCCC1CCCCC1 S462837 [0,0,0,0,0,2|0,0,0]=2 392 B12R1.252 O=C(O)CCCN1CCCCC1 PH017094 [0,0,0,0,0,2|1,0,0]=3 393 B12R1.252 O=C(O)CCCN1CCOCC1 CDS019660 [0,0,0,0,0,2|2,0,0]=4 394 B12R1.252 O=C(O)CCNC1CCCCC1 S373834 [0,0,0,0,0,2|0,0,0]=2 395 B12R1.252 O=C(O)COCC1CCCCO1 CBR01455 [0,0,0,0,0,2|1,0,0]=3 396 B12R1.252 O=C([O-])CCCC1CCCCC1 S462209 [0,0,0,0,0,2|0,0,1]=3 397 B12R1.1343 O=C(O)CCN1CCCCCC1 T318035 [0,0,0,0,0,2|1,0,0]=3 398 B12R1.1392 CC(=O)OC1C=CCCCCC1 T172537 [0,0,0,0,0,2|2,0,0]=4 399 B12R1.1392 CC(=O)OC1CCCCCCC1 S345067 [0,0,0,0,0,2|2,0,0]=4 400 B12R1.1392 CC(=O)OC1CCCCCOC1 T165980 [0,0,0,0,0,2|2,0,0]=4 401 B12R1.1392 CC(=O)OC1CCCCOCC1 T177261 [0,0,0,0,0,2|2,0,0]=4 402 B12R1.1392 NC(=O)NC1CCCCCCC1 S345083 [0,0,0,0,0,2|2,0,0]=4 403 B12R1.1392 O=C(O)CN1CCCCCCC1 T318949 [0,0,0,0,0,2|1,0,0]=3