0 B11R1.24 NCCCN1CCNC(=O)C1 CBR02386 [0,0,0,0,0,0|4,0,0]=4 1 B10R1.10 CCCC1CCCC(=O)O1 CDS001273 [1,0,0,0,0,0|0,0,0]=1 2 B10R1.17 BrCCCC1CCCCC1 S345016 [1,0,0,0,0,0|2,0,1]=4 3 B10R1.17 CCCCC1NCCCS1 T149721 [1,0,0,0,0,0|1,1,1]=4 4 B10R1.17 CCCNC1CCCCC1 CDS008806 [1,0,0,0,0,0|2,0,1]=4 5 B10R1.17 CCNCC1CCCCO1 CBR00835 [1,0,0,0,0,0|1,0,1]=3 6 B10R1.17 CCNCC1CNCCO1 CDS015778 [1,0,0,0,0,0|2,0,1]=4 7 B10R1.17 COCCC1CCCCN1 CBR00752 [1,0,0,0,0,0|2,0,1]=4 8 B10R1.17 COCCC1CNCCO1 CBR00148 [1,0,0,0,0,0|2,0,1]=4 9 B10R1.17 ClCCCC1CCCCC1 R426857 [1,0,0,0,0,0|2,0,1]=4 10 B10R1.17 OCCCC1CCCCN1 CBR01786 [1,0,0,0,0,0|2,0,1]=4 11 B10R1.17 OCCCC1CCCNC1 CBR00005 [1,0,0,0,0,0|3,0,0]=4 12 B12R1.25 CCCCN1CCNC(=O)C1=O PH016062 [0,1,0,0,0,0|3,0,0]=4 13 B12R1.28 CCCCOC1=CC(=O)CCC1 PH011428 [0,1,0,0,0,0|1,0,1]=3 14 B12R1.226 CC(C)COC1=CC(=O)CCC1 S864978 [0,1,0,0,0,0|2,0,1]=4 15 B10R0.1 CCCCCOC(=O)CC#N S549703 [0,0,1,0,0,0|1,0,1]=3 16 B10R0.1 CCCNCCC(=O)OCC OTV000022 [0,0,1,0,0,0|3,0,0]=4 17 B10R0.4 CCCCC/C=C/CC(=O)O CDS000243 [0,0,1,0,0,0|0,0,2]=3 18 B10R0.4 CCCCCCC#CC(=O)O S354023 [0,0,1,0,0,0|0,0,2]=3 19 B10R0.4 CCCCCCCCC(=N)N PH012190 [0,0,1,0,0,0|2,0,0]=3 20 B10R0.4 CCCCCCCCC(=O)N S595268 [0,0,1,0,0,0|1,0,0]=2 21 B10R0.4 CCCCCCCCC(C)N T151068 [0,0,1,0,0,0|2,0,1]=4 22 B10R0.4 CCCCCCCC[N+](=O)[O-] S917680 [0,0,1,0,0,0|1,0,1]=3 23 B10R0.4 CCCCCCCNC(=O)C R704377 [0,0,1,0,0,0|2,0,0]=3 24 B10R0.4 CCCCCCCNC(=O)N S516643 [0,0,1,0,0,0|2,0,0]=3 25 B12R2.24 C12CCCCC1NC(=O)CC2 S782548 [0,0,0,1,0,0|1,0,0]=2 26 B12R2.24 CC1CCC2CCCCC2N1 PH014078 [0,0,0,1,0,0|2,0,1]=4 27 B12R2.24 O=C1CN2CCCCC2CN1 T162582 [0,0,0,1,0,0|3,0,0]=4 28 B12R2.1081 O=C1CCCC2=NCCCN12 S681717 [0,0,0,1,0,0|2,0,1]=4 29 B10R1.16 C=CCCC1CCC(=O)C1 T221252 [0,0,0,0,1,0|1,0,2]=4 30 B10R1.29 CCCCN1CCCC1=O S434221 [0,0,0,0,1,0|1,0,0]=2 31 B10R1.29 CCCCN1CCSC1=S PH006995 [0,0,0,0,1,0|2,1,0]=4 32 B10R1.29 N#CCCN1CCCC1=O S443255 [0,0,0,0,1,0|2,0,1]=4 33 B9R0.5 CCCCCC(=O)CCC S411825 [1,0,1,0,0,0|0,0,0]=2 34 B9R0.5 CCCCCC(C)CCC S431648 [1,0,1,0,0,0|1,0,1]=4 35 B9R0.5 CCCCNC(=O)CCC EME00389 [1,0,1,0,0,0|1,0,0]=3 36 B9R0.5 CCCCNC(=O)CNC CBR01986 [1,0,1,0,0,0|2,0,0]=4 37 B9R0.5 CCCCNC(=O)NCC S802077 [1,0,1,0,0,0|2,0,0]=4 38 B9R0.5 CCCCNC(=O)OCC S406988 [1,0,1,0,0,0|2,0,0]=4 39 B9R0.5 CCOC(=O)CCCCI S677175 [1,0,1,0,0,0|2,0,0]=4 40 B9R0.5 CCOC(=O)CCCCN CDS023812 [1,0,1,0,0,0|2,0,0]=4 41 B9R0.45 CCCCCCCCNC CDS003222 [1,0,1,0,0,0|2,0,0]=4 42 B9R0.45 CCCCCCCCON PH014161 [1,0,1,0,0,0|2,0,0]=4 43 B9R0.45 CCCCCCCC[Hg]Cl S572551 [1,0,1,0,0,0|2,0,0]=4 44 B9R0.45 CCCCCCSCCO S362344 [1,0,1,0,0,0|1,0,1]=4 45 B9R0.45 CCCCCNCCCC OTV000733 [1,0,1,0,0,0|1,0,1]=4 46 B9R0.45 CCCCNCCCCO PH011467 [1,0,1,0,0,0|1,0,1]=4 47 B9R0.45 N#CCCCCCCC=O PH008272 [1,0,1,0,0,0|1,0,1]=4 48 B9R0.46 CCCCCNC(=O)CCl S627690 [1,0,1,0,0,0|2,0,0]=4 49 B9R0.2 CCCC/C=C/CC(=O)O CDS000466 [1,0,1,0,0,0|0,0,2]=4 50 B9R0.2 COCCCCCC(=O)O CBR00492 [1,0,1,0,0,0|1,0,0]=3 51 B9R0.14 CC(=O)OC(CCl)CCCl S535990 [1,0,1,0,0,0|2,0,0]=4 52 B9R0.14 CCCC(CC)NC(=O)N S502553 [1,0,1,0,0,0|2,0,0]=4 53 B9R0.40 CCCCN(C=O)CCO PH000614 [1,0,1,0,0,0|2,0,0]=4 54 B9R1.2 C=CC1CCCC(=O)O1 T220795 [2,0,0,0,0,0|0,0,2]=4 55 B9R1.2 CCC1COCC(=O)N1 CBR01631 [2,0,0,0,0,0|2,0,0]=4 56 B9R1.8 CCOC1CCCCO1 S359033 [2,0,0,0,0,0|1,0,1]=4 57 B9R1.8 CNCC1CCCCO1 CDS005693 [2,0,0,0,0,0|1,0,1]=4 58 B9R1.8 OCCC1CCCCO1 T177393 [2,0,0,0,0,0|1,0,1]=4 59 B11R0.2 CCCCCCC(=O)CC(C)C S350567 [0,1,1,0,0,0|1,0,0]=3 60 B11R0.4 CCCCCC#CC(=O)OCC S414107 [0,1,1,0,0,0|2,0,0]=4 61 B11R0.4 CCCCCCCC(=O)CCC CDS001481 [0,1,1,0,0,0|1,0,0]=3 62 B11R0.4 CCOC(=O)CCCCCCO R174513 [0,1,1,0,0,0|2,0,0]=4 63 B11R0.5 CCCCC(N)CC(=O)OCC CBR00803 [0,1,1,0,0,0|2,0,0]=4 64 B11R0.81 CCNCC(=O)NCCCOC PH014810 [0,1,1,0,0,0|2,0,0]=4 65 B11R0.142 CCC(Br)C(=O)NCCCOC PH015198 [0,1,1,0,0,0|2,0,0]=4 66 B11R0.176 CCCC(=O)OCCCC(=O)C R396044 [0,1,1,0,0,0|0,0,1]=3 67 B11R0.176 CCOC(=O)OCCCN(C)C S389528 [0,1,1,0,0,0|2,0,0]=4 68 B11R0.30 CC(=O)NCCCCCC(=O)O PH010928 [0,1,1,0,0,0|1,0,1]=4 69 B11R0.40 C=CS(=O)CCCCCCCC R395390 [0,1,1,0,0,0|2,0,0]=4 70 B11R0.40 CCCCCCCCC(O)C#N PH007041 [0,1,1,0,0,0|1,0,1]=4 71 B11R0.40 CCCCCCCCC([NH3+])CO L498629 [0,1,1,0,0,0|1,0,1]=4 72 B11R0.42 CCCCCC/C=C(/C)\C(=O)O S489905 [0,1,1,0,0,0|0,0,2]=4 73 B11R0.42 CCCCCCCC(Br)C(=O)O PH002927 [0,1,1,0,0,0|0,0,0]=2 74 B11R0.42 CCCCCCCC(C)C(=O)O S874582 [0,1,1,0,0,0|0,0,0]=2 75 B11R0.46 CCCCCC(=O)CCC(=O)O T330051 [0,1,1,0,0,0|0,0,1]=3 76 B11R0.148 CCCCCC#CCCC(=O)C S884901 [0,1,1,0,0,0|1,0,1]=4 77 B11R0.148 CCCCCC/C=C/CC(=O)O CDS000299 [0,1,1,0,0,0|0,0,1]=3 78 B11R0.148 CCCCCCCCC=C(C)C T293466 [0,1,1,0,0,0|2,0,0]=4 79 B11R0.148 CCCCCCCCCC(=N)N PH012191 [0,1,1,0,0,0|2,0,0]=4 80 B11R0.148 CCCCCCCCCC(=O)N S549878 [0,1,1,0,0,0|1,0,0]=3 81 B11R0.148 CCCCCCCCSC(=N)N S385239 [0,1,1,0,0,0|2,0,0]=4 82 B11R0.148 CCCCOCCOCC(=O)O CDS000206 [0,1,1,0,0,0|1,0,0]=3 83 B11R0.148 O=C(O)CCCCCCCCBr T333328 [0,1,1,0,0,0|0,0,0]=2 84 B11R0.148 O=C(O)CCCCCCCCO CDS018651 [0,1,1,0,0,0|0,0,0]=2 85 B11R0.159 CCCCCCCCS(=O)(=O)N PH010261 [0,1,1,0,0,0|1,0,1]=4 86 B11R0.154 CCCCCC(C)NC(=O)CCl S380253 [0,1,1,0,0,0|2,0,0]=4 87 B11R1.16 CCCC(O)C1CCCCC1 S447005 [1,1,0,0,0,0|1,0,1]=4 88 B11R1.17 CCCCC1CCCCC1O S359122 [1,1,0,0,0,0|1,0,1]=4 89 B11R1.28 CCCCCC1CCCCC1 S431664 [1,1,0,0,0,0|1,0,1]=4 90 B11R1.28 CNCCCC1CCCCC1 PH010303 [1,1,0,0,0,0|1,0,1]=4 91 B11R1.28 COCCCC1CCCCN1 CBR01367 [1,1,0,0,0,0|1,0,1]=4 92 B11R1.28 COCCCC1CCCNC1 CBR01297 [1,1,0,0,0,0|2,0,0]=4 93 B11R1.900 CCCCC1(CCCCC1)O S406953 [1,1,0,0,0,0|1,0,1]=4 94 B11R1.27 CCCCSC1=CC(=O)CC1 T217042 [0,1,0,0,1,0|1,0,1]=4 95 B11R1.75 CC(=O)CCC1CCC(=O)C1 T242535 [0,1,0,0,1,0|1,0,1]=4 96 B11R1.75 CC(C)NCC1CCC(=O)N1 CBR01012 [0,1,0,0,1,0|2,0,0]=4 97 B11R1.180 CCCCCC1CCCC1=O S148938 [0,1,0,0,1,0|0,0,0]=2 98 B11R1.180 [C-]#[N+]CCCN1CCCC1=O PH018707 [0,1,0,0,1,0|1,0,1]=4 99 B11R1.228 COC(=O)CC1CCCC1=O T177318 [0,1,0,0,1,0|1,0,1]=4 100 B11R1.30 CCOC(=O)CC1CCCC1 S433101 [0,0,1,1,0,0|2,0,0]=4 101 B11R1.30 CNCC(=O)NC1CCCC1 PH017395 [0,0,1,1,0,0|2,0,0]=4 102 B11R1.101 O=C1C=CCCCCCCC1 T231835 [0,0,1,1,0,0|1,0,1]=4 103 B11R1.101 O=C1CCCCCCCCN1 S929964 [0,0,1,1,0,0|1,0,0]=3 104 B11R1.86 CC(=O)CN1CCCCC1C R433667 [0,0,1,1,0,0|2,0,0]=4 105 B11R1.86 CC1CCCCC1CC(=O)O L127892 [0,0,1,1,0,0|0,0,0]=2 106 B11R1.86 CC\1CCCC/C1=C\C(=O)O L128546 [0,0,1,1,0,0|0,0,2]=4 107 B11R1.86 CN1CCCNC1CC(=O)O PH016926 [0,0,1,1,0,0|2,0,0]=4 108 B11R1.143 CN1CCCCCC1C(=O)O CBR00944 [0,0,1,1,0,0|1,0,0]=3 109 B11R1.172 O=C(O)COCC1CCCN1 CBR01410 [0,0,1,1,0,0|2,0,0]=4 110 B11R1.543 CC1(CCCCCCCC1)O T211540 [0,0,1,1,0,0|1,0,1]=4 111 B11R1.706 O=C(O)C1CCC=CCCC1 T179795 [0,0,1,1,0,0|0,0,2]=4 112 B11R1.742 NC(=O)NC1CCCCCC1 S344907 [0,0,1,1,0,0|2,0,0]=4 113 B11R1.742 O=C(O)CN1CCCCCC1 CBR00324 [0,0,1,1,0,0|1,0,0]=3 114 B11R1.222 CC1CCCCN1C(=O)CCl PH011442 [0,0,1,1,0,0|2,0,0]=4 115 B11R1.20 CC(=O)NC1CCC(CC1)O CDS000512 [0,0,1,1,0,0|2,0,0]=4 116 B11R1.20 CC(=O)N[C@H]1CC[C@@H](CC1)N PH018847 [0,0,1,1,0,0|2,0,0]=4 117 B11R1.20 CC(=O)OC1CCC(CC1)O S722197 [0,0,1,1,0,0|1,0,0]=3 118 B11R1.20 CN1CCC(CC1)OC(=O)N PH012385 [0,0,1,1,0,0|2,0,0]=4 119 B11R1.756 CCCCCC1(CCCC1)O S412457 [0,0,1,1,0,0|1,0,1]=4 120 B11R2.35 C1(CC1)C2=CC(=O)CCC2 T218766 [1,0,0,1,0,0|1,0,1]=4 121 B11R2.48 O=C1N[C@H]2CC[C@@H]1CNC2 CBR01818 [1,0,0,1,0,0|2,0,0]=4 122 B11R2.106 [C@@H]12CCCC(=C)[C@@H]1CCC2 T172464 [1,0,0,1,0,0|2,0,0]=4 123 B11R2.106 [C@@H]12CCCC(=O)[C@@H]1CCC2 T167339 [1,0,0,1,0,0|1,0,0]=3 124 B11R2.484 OC12CCCC(O1)CCC2 T173525 [1,0,0,1,0,0|0,0,2]=4 125 B11R2.678 O=C1CC2CCCC(C1)C2 T293415 [1,0,0,1,0,0|1,0,0]=3 126 B11R2.20 C1CCC2CCCN=C2C1 PH001359 [1,0,0,1,0,0|2,0,0]=4 127 B11R2.20 C1CCC2OCCNC2C1 CDS019792 [1,0,0,1,0,0|1,0,1]=4 128 B11R2.20 C1CCC2OCOCC2C1 S699276 [1,0,0,1,0,0|1,0,1]=4 129 B11R2.357 IC1CCC2CCCC1O2 T173398 [1,0,0,1,0,0|1,0,1]=4 130 B11R2.10 O=C1C=C2CCCCC2C1 S58549 [0,0,0,1,1,0|1,0,1]=4 131 B11R2.10 O=C1CC2CC=CC[C@@H]2O1 S330272 [0,0,0,1,1,0|0,0,2]=4 132 B11R2.10 [C@H]12CCCC[C@@H]1CC(=O)N2 T299146 [0,0,0,1,1,0|1,0,0]=3 133 B11R2.748 O=C1CCC2(N1)CCNC2 PHB00014 [0,0,0,1,1,0|2,0,0]=4 134 B11R2.3 O=C1CCCC12CCCS2 T251763 [0,0,0,1,1,0|1,0,0]=3 135 B11R2.60 [C@@H]12CC=C([C@@H]1CCC2=O)C T288527 [0,0,0,1,1,0|0,0,2]=4 136 B11R2.68 O=C1O[C@H]2C[C@@H]1CC[C@@H]2I PH016401 [0,0,0,1,1,0|2,0,0]=4 137 B11R2.199 O=C1C2CCCCC1CC2 T299324 [0,0,0,1,1,0|0,0,0]=2 138 B13R2.342 O=C1CCCC2C1CCCC2=O S906689 [0,1,0,1,0,0|1,0,1]=4 139 B13R2.3473 O=C1CCCC2(C1)CCCC2=O S929174 [0,1,0,1,0,0|1,0,1]=4 140 B13R2.4719 O=C1CC2CCCCCC(C1)C2 T292923 [0,1,0,1,0,0|1,0,0]=3 141 B13R2.4719 [C@H]12CCCCC[C@H](C1)CC(=C)C2 T244996 [0,1,0,1,0,0|2,0,0]=4 142 B13R2.11128 O=C1CCCC2(C1)CCCCC2 S757470 [0,1,0,1,0,0|1,0,0]=3 143 B13R2.11128 O=C1CCCC2(O1)CCCCO2 T259403 [0,1,0,1,0,0|0,0,0]=2 144 B13R2.371 [C@H]12CCCCC1C(=O)CCC2=O S305375 [0,1,0,1,0,0|1,0,1]=4 145 B13R2.5067 CC12CCCCC1=CC(=O)CC2 T169390 [0,1,0,1,0,0|1,0,1]=4 146 B13R2.5067 CC12CCCCC1CC(=O)CC2 S956155 [0,1,0,1,0,0|1,0,0]=3 147 B13R2.1613 O/N=C\1/CCCC2C1CCCC2 S922013 [0,1,0,1,0,0|1,0,1]=4 148 B13R2.369 CC1CC2CCCCC2CC1=O S450723 [0,1,0,1,0,0|1,0,0]=3 149 B13R2.34 O=C1CCC2CCCCC2(C1)O S291749 [0,1,0,1,0,0|1,0,0]=3 150 B9R0.13 C(=C(\CC)/C(=O)C)\CCC S129674 [0,0,1,0,1,0|0,0,2]=4 151 B9R0.13 CCN(CCCN)C(=O)C PH010126 [0,0,1,0,1,0|2,0,0]=4 152 B9R1.33 O=C1CCCN1CCBr CDS019689 [1,0,0,0,1,0|2,0,0]=4 153 B9R1.12 CCCCC1OCCO1 T330108 [1,0,0,0,1,0|1,0,0]=3 154 B9R1.12 CCCNC1CCCC1 CBR00869 [1,0,0,0,1,0|1,0,1]=4 155 B9R1.12 NCCCC1CCCC1 CBR01730 [1,0,0,0,1,0|1,0,1]=4 156 B9R1.12 OCCCC1OCCO1 T290653 [1,0,0,0,1,0|2,0,0]=4