0 B10R0.74 CCCCCC#CC(=O)CC S128325 [0,0,0,0,0,0|2,0,2]=4 1 B10R0.74 CCCCCCCC(=O)CC S544043 [0,0,0,0,0,0|2,0,0]=2 2 B10R0.74 CCCCCCCC(=O)NO CDS000528 [0,0,0,0,0,0|0,0,0]=0 3 B10R0.74 CCCCCCCC(=O)N[O-] S756199 [0,0,0,0,0,0|0,0,1]=1 4 B10R0.74 CCCCCCCC(O)CC CDS001495 [0,0,0,0,0,0|2,0,2]=4 5 B10R0.74 CCCCCCNC(=O)NC S892793 [0,0,0,0,0,0|2,0,0]=2 6 B10R0.74 CCCCCCOC(=O)CCl OTV000847 [0,0,0,0,0,0|3,0,0]=3 7 B10R0.74 CCCCCCOC(=S)S[K] S394122 [0,0,0,0,0,0|3,1,0]=4 8 B9R0.2 CCCC/C=C/CC(=O)O CDS000466 [1,0,0,0,0,0|0,0,2]=3 9 B9R0.2 CCCCCCCC(C)Br S438758 [1,0,0,0,0,0|2,0,1]=4 10 B9R0.2 CCCNOCCC(=O)C S581321 [1,0,0,0,0,0|3,0,0]=4 11 B9R0.2 COCCCCCC(=O)O CBR00492 [1,0,0,0,0,0|1,0,0]=2 12 B9R0.45 CCCCCCCCNC CDS003222 [1,0,0,0,0,0|1,0,1]=3 13 B9R0.45 CCCCCCCCON PH014161 [1,0,0,0,0,0|2,0,1]=4 14 B9R0.45 CCCCCCCC[Hg]Cl S572551 [1,0,0,0,0,0|2,0,1]=4 15 B9R0.45 CCCCCCCN=C=S PH011071 [1,0,0,0,0,0|2,1,0]=4 16 B9R0.45 CCCCCCSCCO S362344 [1,0,0,0,0,0|2,0,1]=4 17 B9R0.45 CCCCNCCCCO PH011467 [1,0,0,0,0,0|2,0,1]=4 18 B9R0.46 CCCCCC/C(=N/O)/C S648302 [1,0,0,0,0,0|1,0,1]=3 19 B9R0.46 CCCCCNC(=O)CCl S627690 [1,0,0,0,0,0|3,0,0]=4 20 B9R0.46 COC(=O)CCCCCBr S125334 [1,0,0,0,0,0|3,0,0]=4 21 B11R0.4 CCCCCCCC(=O)CCC CDS001481 [0,1,0,0,0,0|2,0,0]=3 22 B11R0.4 CCCCCCCC(=O)OCCl PH007966 [0,1,0,0,0,0|2,0,0]=3 23 B11R0.4 CCOC(=O)CCCCCCO R174513 [0,1,0,0,0,0|3,0,0]=4 24 B11R0.40 C=CS(=O)CCCCCCCC R395390 [0,1,0,0,0,0|3,0,0]=4 25 B11R0.40 CCCCCCCCC([NH3+])CO L498629 [0,1,0,0,0,0|2,0,1]=4 26 B11R0.42 CCCCCC/C=C(/C)\C(=O)O S489905 [0,1,0,0,0,0|2,0,1]=4 27 B11R0.42 CCCCCCCC(=O)C(C)C S561193 [0,1,0,0,0,0|2,0,0]=3 28 B11R0.42 CCCCCCCC(Br)C(=O)O PH002927 [0,1,0,0,0,0|2,0,1]=4 29 B11R0.42 CCCCCCCC(C)C(=O)O S874582 [0,1,0,0,0,0|2,0,1]=4 30 B11R0.42 CCCCCCOC(=O)C(Cl)Cl PH008761 [0,1,0,0,0,0|3,0,0]=4 31 B11R0.154 CCCCCC(C)NC(=O)CCl S380253 [0,1,0,0,0,0|3,0,0]=4 32 B11R1.25 COC(=O)CCC1CCCC1 EME00045 [0,0,0,1,0,0|2,0,0]=3 33 B11R1.40 CCC(=O)NC1CCCCC1 PH004228 [0,0,0,1,0,0|3,0,0]=4 34 B11R1.40 CNC(=O)NC1CCCCC1 S604569 [0,0,0,1,0,0|2,0,0]=3 35 B11R1.40 CNC(=S)NC1CCCCC1 PH010046 [0,0,0,1,0,0|2,1,0]=4 36 B11R1.40 COC(=O)CC1CCNCC1 CDS003616 [0,0,0,1,0,0|3,0,0]=4 37 B11R1.40 NNC(=O)CN1CCOCC1 CBR01496 [0,0,0,1,0,0|3,0,0]=4 38 B11R1.40 NNC(=S)NC1CCCCC1 CDS004498 [0,0,0,1,0,0|2,1,0]=4 39 B11R1.40 O=C(CBr)OC1CCCCC1 PH001483 [0,0,0,1,0,0|3,0,0]=4 40 B11R1.40 O=C(CCl)OC1CCCCC1 PH009865 [0,0,0,1,0,0|3,0,0]=4 41 B11R1.40 O=C(CI)NC1CCCCC1 PH006183 [0,0,0,1,0,0|3,0,0]=4 42 B11R1.40 O=C(NO)NC1CCCCC1 PH008314 [0,0,0,1,0,0|1,0,0]=2 43 B11R1.101 O=C1C=CCCCCCCC1 T231835 [0,0,0,1,0,0|2,0,0]=3 44 B11R1.101 O=C1CCCCCCCCN1 S929964 [0,0,0,1,0,0|1,0,0]=2 45 B11R1.222 CC1CCCCN1C(=O)CCl PH011442 [0,0,0,1,0,0|3,0,0]=4 46 B11R1.222 COC(=O)C1CCCCC1O S764612 [0,0,0,1,0,0|3,0,0]=4 47 B11R1.381 CCC1CNCCC(=O)N1C PH018620 [0,0,0,1,0,0|2,0,0]=3 48 B11R1.852 O=C(CCl)N1CCCCCC1 PH010548 [0,0,0,1,0,0|3,0,0]=4 49 B8R0.4 CCCCCCCSC S570729 [2,0,0,0,0,0|2,0,0]=4 50 B8R0.4 CCCCCCC[Hg]Cl S572500 [2,0,0,0,0,0|2,0,0]=4 51 B8R0.4 CCCCCSCCO S357928 [2,0,0,0,0,0|1,0,1]=4 52 B8R0.4 CCNCCCCCO PH007898 [2,0,0,0,0,0|1,0,1]=4 53 B8R0.4 CSCCCCCCO S931667 [2,0,0,0,0,0|1,0,1]=4 54 B8R0.7 CCC/C=C/CC(=O)O CDS000348 [2,0,0,0,0,0|0,0,2]=4 55 B8R0.7 CCCCCOC(=O)Cl CDS000346 [2,0,0,0,0,0|2,0,0]=4 56 B8R0.7 CCCCOCC(=O)O CDS008145 [2,0,0,0,0,0|1,0,0]=3 57 B8R0.7 CCCNCCC(=O)O OTV000481 [2,0,0,0,0,0|1,0,0]=3 58 B8R0.7 CCSCCCC(=O)O PH008798 [2,0,0,0,0,0|1,0,0]=3 59 B8R0.7 NC(=O)CCCCCBr CDS003086 [2,0,0,0,0,0|1,0,0]=3 60 B8R0.7 NCCCCCC(=O)N CDS015235 [2,0,0,0,0,0|1,0,0]=3 61 B8R0.7 NCCSCCC(=O)O PH011733 [2,0,0,0,0,0|2,0,0]=4 62 B8R0.7 O=C(O)CCNCCO S888699 [2,0,0,0,0,0|2,0,0]=4 63 B8R0.7 O=C(O)CCOCCO CDS021155 [2,0,0,0,0,0|2,0,0]=4 64 B8R0.6 CCCCCC(=O)NN S849049 [2,0,0,0,0,0|1,0,0]=3 65 B8R0.6 CCCCCC(=O)SC CDS010601 [2,0,0,0,0,0|2,0,0]=4 66 B10R0.3 CCOC(=O)CCCC(=O)O PH011452 [1,1,0,0,0,0|1,0,1]=4 67 B10R0.4 CCCCC/C=C/CC(=O)O CDS000243 [1,1,0,0,0,0|0,0,1]=3 68 B10R0.4 CCCCCCC#CC(=O)O S354023 [1,1,0,0,0,0|0,0,1]=3 69 B10R0.4 CCCCCCCCC(=N)N PH012190 [1,1,0,0,0,0|1,0,0]=3 70 B10R0.4 CCCCCCCCC(=O)N S595268 [1,1,0,0,0,0|0,0,0]=2 71 B10R0.4 CCCCCCCCC(C)N T151068 [1,1,0,0,0,0|1,0,1]=4 72 B10R0.4 CCCCCCCC[N+](=O)[O-] S917680 [1,1,0,0,0,0|1,0,1]=4 73 B10R0.4 CCCCCCCNC(=O)C R704377 [1,1,0,0,0,0|1,0,0]=3 74 B10R0.4 CCCCCCCNC(=O)N S516643 [1,1,0,0,0,0|0,0,0]=2 75 B10R0.55 CC[C@H](O)CCCCC(=O)C T263230 [1,1,0,0,0,0|1,0,0]=3 76 B10R0.75 NCCCCCC(N)C(=O)O PH008399 [1,1,0,0,0,0|1,0,0]=3 77 B10R0.78 COCNC(N)CCC(=O)O R434884 [1,1,0,0,0,0|2,0,0]=4 78 B10R0.71 CCCCCCCSCCO S362220 [1,1,0,0,0,0|1,0,1]=4 79 B12R0.4 CCCCCCCC(=O)CC(C)C S350397 [0,2,0,0,0,0|2,0,0]=4 80 B12R0.4 CCCCCCCC(=O)CC(C)C S879290 [0,2,0,0,0,0|2,0,0]=4 81 B12R0.4 CCCCCCCC(=O)OC(C)C CDS000544 [0,2,0,0,0,0|2,0,0]=4 82 B12R0.206 CCCCCCCC(C)NCCO S540285 [0,2,0,0,0,0|1,0,1]=4 83 B12R0.183 CCC(=O)CCCCCC(=O)CC S872482 [0,2,0,0,0,0|2,0,0]=4 84 B12R0.184 CC(C)CCCCCOC(=O)CS S559040 [0,2,0,0,0,0|1,1,0]=4 85 B12R0.248 C=CC(=O)OCCCCCCCC CDS004485 [0,2,0,0,0,0|2,0,0]=4 86 B12R0.248 CCCCCC#CCCC(=O)OC S884480 [0,2,0,0,0,0|2,0,0]=4 87 B12R0.248 CCCCCCCCCC(=O)CC CDS000235 [0,2,0,0,0,0|2,0,0]=4 88 B12R0.248 CCCCCCCCCC(=O)NN S550280 [0,2,0,0,0,0|1,0,0]=3 89 B12R0.248 CCCCCCCCNC(=O)CCl S376833 [0,2,0,0,0,0|2,0,0]=4 90 B12R0.248 CCCCCCCCOC(=O)CCl S530727 [0,2,0,0,0,0|2,0,0]=4 91 B12R0.248 COC(=O)CCCCCCCCI T266353 [0,2,0,0,0,0|2,0,0]=4 92 B12R0.251 CCCCCCCCC(=O)C(C)C S866784 [0,2,0,0,0,0|2,0,0]=4 93 B12R0.46 CCCCCCC(C)C(=O)N(C)C PH007647 [0,2,0,0,0,0|1,0,0]=3 94 B10R1.10 CCCC1CCCC(=O)O1 CDS001273 [1,0,0,1,0,0|0,0,0]=2 95 B10R1.18 CC(=O)CC1CCCCC1 CDS001548 [1,0,0,1,0,0|1,0,0]=3 96 B10R1.18 CC(=O)CN1CCCCC1 R433675 [1,0,0,1,0,0|2,0,0]=4 97 B10R1.18 CC(=O)NC1CCCCC1 PH004244 [1,0,0,1,0,0|2,0,0]=4 98 B10R1.18 N=C(N)NC1CCCCC1 L255009 [1,0,0,1,0,0|2,0,0]=4 99 B10R1.18 N=C(N)SC1CCCCC1 S822655 [1,0,0,1,0,0|2,0,0]=4 100 B10R1.18 NC(=O)CC1CCCCN1 CDS022187 [1,0,0,1,0,0|1,0,0]=3 101 B10R1.18 NC(=O)CN1CCCCC1 OTV000055 [1,0,0,1,0,0|1,0,0]=3 102 B10R1.18 NC(=O)CN1CCNCC1 CDS002931 [1,0,0,1,0,0|2,0,0]=4 103 B10R1.18 NC(=O)NC1CCCCC1 S375047 [1,0,0,1,0,0|1,0,0]=3 104 B10R1.18 NC(=S)NC1CCCCC1 PH002195 [1,0,0,1,0,0|1,1,0]=4 105 B10R1.18 O=C(O)CC1CCCCN1 R409952 [1,0,0,1,0,0|1,0,0]=3 106 B10R1.18 O=C(O)CC1CCCNC1 PH010234 [1,0,0,1,0,0|1,0,0]=3 107 B10R1.18 O=C(O)CC1CCNCC1 CBR01414 [1,0,0,1,0,0|1,0,0]=3 108 B10R1.18 O=C(O)CC1CCNCC1 CDS007853 [1,0,0,1,0,0|1,0,0]=3 109 B10R1.18 O=C(O)CC1CCNCC1 CDS021798 [1,0,0,1,0,0|1,0,0]=3 110 B10R1.18 O=C(O)CC1CCOCC1 CDS006056 [1,0,0,1,0,0|1,0,0]=3 111 B10R1.18 O=C(O)CN1CCCCC1 CDS005123 [1,0,0,1,0,0|1,0,0]=3 112 B10R1.18 O=C(O)CN1CCCCC1 L481130 [1,0,0,1,0,0|1,0,0]=3 113 B10R1.18 O=C(O)CN1CCOCC1 ANV00112 [1,0,0,1,0,0|2,0,0]=4 114 B10R1.18 O=C(O)CN1CCOCC1 CDS007579 [1,0,0,1,0,0|2,0,0]=4 115 B10R1.18 OB(O)CC1CCCCC1 CDS004056 [1,0,0,1,0,0|1,0,1]=4 116 B10R1.39 CCN1CCC[C@H]1C(=O)O CBR01772 [1,0,0,1,0,0|1,0,0]=3 117 B10R1.61 CC(=O)[C@@H]1CCCC[C@@H]1N PH016419 [1,0,0,1,0,0|2,0,0]=4 118 B10R1.61 CC1C=CCCC1C(=O)O PH008388 [1,0,0,1,0,0|0,0,2]=4 119 B10R1.61 CC1CNCCC1C(=O)O CDS008293 [1,0,0,1,0,0|1,0,0]=3 120 B10R1.61 NC(=O)[C@@H]1CCCC[C@@H]1N BBO000407 [1,0,0,1,0,0|1,0,0]=3 121 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O CDS008979 [1,0,0,1,0,0|1,0,0]=3 122 B10R1.61 O=C(O)C1CCCCC1=O CDS021562 [1,0,0,1,0,0|1,0,1]=4 123 B10R1.61 O=C(O)[C@H]1CCCC[C@H]1O R548480 [1,0,0,1,0,0|1,0,0]=3 124 B10R1.64 CN1CCCC1CC(=O)O PH018759 [1,0,0,1,0,0|1,0,0]=3 125 B10R1.64 CN1CCC[C@H]1CC(=O)O PH018830 [1,0,0,1,0,0|1,0,0]=3 126 B10R1.66 O=C(O)CCN1CCCC1 CDS002325 [1,0,0,1,0,0|1,0,0]=3 127 B10R1.66 O=C(O)CCN1CCCO1 CBR00808 [1,0,0,1,0,0|2,0,0]=4 128 B10R1.78 O=C1C=CCCCCCC1 L169854 [1,0,0,1,0,0|1,0,1]=4 129 B10R1.348 NC(=S)N1CCCCCC1 CBR01182 [1,0,0,1,0,0|1,1,0]=4 130 B10R1.348 O=C(O)C1CCC=CCC1 T165824 [1,0,0,1,0,0|0,0,2]=4 131 B10R1.348 O=[N+]([O-])C1CCCCCC1 S919098 [1,0,0,1,0,0|1,0,1]=4 132 B10R1.4 CCCC1CCCCC1O S365769 [1,0,0,1,0,0|1,0,1]=4 133 B10R1.185 C1=CCCCCCCCC1 S462977 [1,0,0,1,0,0|2,0,0]=4 134 B10R1.15 CNC(=O)C1CCCNC1 CBR00913 [1,0,0,1,0,0|2,0,0]=4 135 B10R1.15 CNC(=O)C1CCCNC1 CDS017102 [1,0,0,1,0,0|2,0,0]=4 136 B10R1.15 CNC(=O)N1CCCCC1 S379557 [1,0,0,1,0,0|2,0,0]=4 137 B10R1.15 NNC(=O)C1CCCCC1 R703435 [1,0,0,1,0,0|1,0,0]=3 138 B10R1.27 NNC(=O)CN1CCCC1 CBR01278 [1,0,0,1,0,0|2,0,0]=4 139 B10R1.27 NNC(=O)CN1CCCC1 PH017245 [1,0,0,1,0,0|2,0,0]=4 140 B10R1.94 CCCC1=C(C(=O)CC1)O PH008317 [1,0,0,1,0,0|1,0,1]=4 141 B12R1.32 CCNC(=O)NC1CCCCC1 S603562 [0,1,0,1,0,0|2,0,0]=4 142 B12R1.27 COC(=O)CCN1CCCCC1 PH006882 [0,1,0,1,0,0|2,0,0]=4 143 B12R1.27 NNC(=O)COC1CCCCC1 PH018699 [0,1,0,1,0,0|1,0,0]=3 144 B12R1.27 O=C(CCl)NCC1CCCCC1 CBR00098 [0,1,0,1,0,0|2,0,0]=4 145 B12R1.150 O=C1CCCCCCCCC1=O T209074 [0,1,0,1,0,0|1,0,1]=4 146 B12R1.150 O=C1CCCCCCCCC1O S116742 [0,1,0,1,0,0|1,0,0]=3 147 B12R1.477 COC(=O)NCCC1CCCC1 T175315 [0,1,0,1,0,0|2,0,0]=4 148 B12R1.43 CN(C)C(=O)CC1CCNCC1 CBR01450 [0,1,0,1,0,0|2,0,0]=4 149 B12R1.43 CN(C)C(=O)NC1CCCCC1 S604542 [0,1,0,1,0,0|2,0,0]=4 150 B12R1.34 COC(=O)C(Br)C1CCCCC1 S378194 [0,1,0,1,0,0|2,0,0]=4 151 B12R1.34 COC(=O)[C@@H](N)C1CCCCC1 CDS003570 [0,1,0,1,0,0|2,0,0]=4 152 B12R2.24 C12CCCCC1NC(=O)CC2 S782548 [0,0,0,2,0,0|1,0,0]=3 153 B12R2.24 O=C1CN2CCCCC2CN1 T162582 [0,0,0,2,0,0|2,0,0]=4 154 B12R2.1596 COC(=O)C1CC2CCC1C2 S409324 [0,0,0,2,0,0|2,0,0]=4 155 B12R2.2918 O=C1CC2(CCNCC2)CN1 CDS023378 [0,0,0,2,0,0|2,0,0]=4 156 B12R2.114 [C@H]12CCCC(=O)N[C@H]1CCC2 T167304 [0,0,0,2,0,0|1,0,0]=3