0 B12R1.28 CCCCOC1=CC(=O)CCC1 PH011428 [0,0,0,0,0,0|2,0,1]=3 1 B11R1.28 CCCCCC1CCCCC1 S431664 [1,0,0,0,0,0|1,0,1]=3 2 B11R1.28 CNCCCC1CCCCC1 PH010303 [1,0,0,0,0,0|2,0,1]=4 3 B11R1.28 COCCCC1CCCCN1 CBR01367 [1,0,0,0,0,0|2,0,1]=4 4 B11R1.28 COCCCC1CCCNC1 CBR01297 [1,0,0,0,0,0|3,0,0]=4 5 B11R0.4 CCCCCC#CC(=O)OCC S414107 [0,0,1,0,0,0|2,0,1]=4 6 B11R0.4 CCCCCCCC(=O)CCC CDS001481 [0,0,1,0,0,0|1,0,0]=2 7 B11R0.4 CCCCCCCC(=O)OCCl PH007966 [0,0,1,0,0,0|3,0,0]=4 8 B11R0.4 CCOC(=O)CCCCCCO R174513 [0,0,1,0,0,0|3,0,0]=4 9 B11R0.148 CCCCCC#CCCC(=O)C S884901 [0,0,1,0,0,0|1,0,2]=4 10 B11R0.148 CCCCCC/C=C/CC(=O)O CDS000299 [0,0,1,0,0,0|0,0,2]=3 11 B11R0.148 CCCCCCCCC=C(C)C T293466 [0,0,1,0,0,0|2,0,1]=4 12 B11R0.148 CCCCCCCCCC(=N)N PH012191 [0,0,1,0,0,0|2,0,0]=3 13 B11R0.148 CCCCCCCCCC(=O)N S549878 [0,0,1,0,0,0|1,0,0]=2 14 B11R0.148 CCCCCCCCCC(C)Br S452572 [0,0,1,0,0,0|2,0,1]=4 15 B11R0.148 CCCCCCCCCC(C)N S540293 [0,0,1,0,0,0|2,0,1]=4 16 B11R0.148 CCCCCCCCSC(=N)N S385239 [0,0,1,0,0,0|3,0,0]=4 17 B11R0.148 CCCCOCCOCC(=O)O CDS000206 [0,0,1,0,0,0|2,0,0]=3 18 B11R0.148 O=C(O)CCCCCCCCBr T333328 [0,0,1,0,0,0|1,0,0]=2 19 B11R0.148 O=C(O)CCCCCCCCO CDS018651 [0,0,1,0,0,0|1,0,0]=2 20 B11R0.154 CCCCCC(C)NC(=O)CCl S380253 [0,0,1,0,0,0|2,0,0]=3 21 B13R2.3473 O=C1CCCC2(C1)CCCC2=O S929174 [0,0,0,1,0,0|2,0,1]=4 22 B13R2.4719 O=C1CC2CCCCCC(C1)C2 T292923 [0,0,0,1,0,0|1,0,0]=2 23 B13R2.4719 [C@H]12CCCCC[C@H](C1)CC(=C)C2 T244996 [0,0,0,1,0,0|2,0,0]=3 24 B13R2.11128 O=C1CCCC2(C1)CCCCC2 S757470 [0,0,0,1,0,0|1,0,0]=2 25 B13R2.11128 O=C1CCCC2(O1)CCCCO2 T259403 [0,0,0,1,0,0|1,0,0]=2 26 B11R1.27 CCCCSC1=CC(=O)CC1 T217042 [0,0,0,0,1,0|2,0,1]=4 27 B11R1.180 CCCCCC1CCCC1=O S148938 [0,0,0,0,1,0|0,0,0]=1 28 B11R1.180 [C-]#[N+]CCCN1CCCC1=O PH018707 [0,0,0,0,1,0|2,0,1]=4 29 B10R0.1 CCCCCOC(=O)CC#N S549703 [1,0,1,0,0,0|1,0,1]=4 30 B10R0.1 CCCNCCC(=O)OCC OTV000022 [1,0,1,0,0,0|2,0,0]=4 31 B10R0.71 C#CCCCCCCCCC CDS001229 [1,0,1,0,0,0|1,0,1]=4 32 B10R0.71 CCCCCCCCCCF S570354 [1,0,1,0,0,0|1,0,1]=4 33 B10R0.71 CCCCCCCSCCO S362220 [1,0,1,0,0,0|1,0,1]=4 34 B10R0.71 CCCCCCNCCCC OTV000454 [1,0,1,0,0,0|1,0,1]=4 35 B10R0.71 CCCCCCOCCCN S392022 [1,0,1,0,0,0|1,0,1]=4 36 B10R0.74 CCCCCC#CC(=O)CC S128325 [1,0,1,0,0,0|1,0,1]=4 37 B10R0.74 CCCCCCCC(=O)CC S544043 [1,0,1,0,0,0|1,0,0]=3 38 B10R0.74 CCCCCCNC(=O)NC S892793 [1,0,1,0,0,0|2,0,0]=4 39 B10R0.74 CCCCCCOC(=O)CCl OTV000847 [1,0,1,0,0,0|1,0,0]=3 40 B10R0.6 CCCOCC(C)OC(=O)C S84450 [1,0,1,0,0,0|1,0,0]=3 41 B10R0.4 CCCCC/C=C/CC(=O)O CDS000243 [1,0,1,0,0,0|0,0,2]=4 42 B10R0.4 CCCCCCC#CC(=O)O S354023 [1,0,1,0,0,0|0,0,2]=4 43 B10R0.4 CCCCCCCCC(=N)N PH012190 [1,0,1,0,0,0|2,0,0]=4 44 B10R0.4 CCCCCCCCC(=O)N S595268 [1,0,1,0,0,0|1,0,0]=3 45 B10R0.4 CCCCCCCC[N+](=O)[O-] S917680 [1,0,1,0,0,0|1,0,1]=4 46 B10R0.4 CCCCCCCNC(=O)C R704377 [1,0,1,0,0,0|2,0,0]=4 47 B10R0.4 CCCCCCCNC(=O)N S516643 [1,0,1,0,0,0|2,0,0]=4 48 B10R1.10 CCCC1CCCC(=O)O1 CDS001273 [2,0,0,0,0,0|0,0,0]=2 49 B10R1.17 CCNCC1CCCCO1 CBR00835 [2,0,0,0,0,0|1,0,1]=4 50 B12R0.1 CCCCOCCOC(=O)CCC PH008717 [0,1,1,0,0,0|0,0,0]=2 51 B12R0.4 CCCCCCCC(=O)CC(C)C S350397 [0,1,1,0,0,0|1,0,0]=3 52 B12R0.4 CCCCCCCC(=O)CC(C)C S879290 [0,1,1,0,0,0|1,0,0]=3 53 B12R0.4 CCCCCCCC(=O)OC(C)C CDS000544 [0,1,1,0,0,0|2,0,0]=4 54 B12R0.205 C(=O)OCCCC(CCC)OC=O T177288 [0,1,1,0,0,0|1,0,1]=4 55 B12R0.234 C=CCCCCCCCCC(=O)[O-] CDS003850 [0,1,1,0,0,0|0,0,2]=4 56 B12R0.234 CC(=O)NCCCCCCCCN S233641 [0,1,1,0,0,0|2,0,0]=4 57 B12R0.234 CCCCCCCCCCC(=N)N PH012196 [0,1,1,0,0,0|2,0,0]=4 58 B12R0.234 CCCCCCCCCNC(=S)N PH008429 [0,1,1,0,0,0|1,1,0]=4 59 B12R0.234 CCCCCCCCCOC(=O)C S364258 [0,1,1,0,0,0|1,0,0]=3 60 B12R0.234 CCCCCCCCCSC(=N)N PH011951 [0,1,1,0,0,0|2,0,0]=4 61 B12R0.234 CCCCCCCCNCC(=O)N PH010602 [0,1,1,0,0,0|1,0,0]=3 62 B12R0.234 CCCCCCCCOCC(=O)O PH010016 [0,1,1,0,0,0|0,0,0]=2 63 B12R0.234 N#CCCCCCCCCC(=O)O S367591 [0,1,1,0,0,0|0,0,1]=3 64 B12R0.248 C=CC(=O)OCCCCCCCC CDS004485 [0,1,1,0,0,0|2,0,0]=4 65 B12R0.248 CCCCCC#CCCC(=O)OC S884480 [0,1,1,0,0,0|0,0,2]=4 66 B12R0.248 CCCCCCCCCC(=O)CC CDS000235 [0,1,1,0,0,0|1,0,0]=3 67 B12R0.248 CCCCCCCCCC(=O)NN S550280 [0,1,1,0,0,0|1,0,0]=3 68 B12R0.248 CCCCCCCCCC([NH3+])CO L498637 [0,1,1,0,0,0|1,0,1]=4 69 B12R0.248 CCCCCCCCNC(=O)CCl S376833 [0,1,1,0,0,0|2,0,0]=4 70 B12R0.248 CCCCCCCCOC(=O)CCl S530727 [0,1,1,0,0,0|2,0,0]=4 71 B12R0.248 COC(=O)CCCCCCCCI T266353 [0,1,1,0,0,0|1,0,0]=3 72 B12R0.268 CC(O)CCCCCCCC(=O)O S888087 [0,1,1,0,0,0|0,0,0]=2 73 B12R0.113 CCCCCCC(C)OC(=S)SC S864986 [0,1,1,0,0,0|1,1,0]=4 74 B12R0.123 CCCOCC(C)OC(=O)C(C)C S84515 [0,1,1,0,0,0|1,0,0]=3 75 B12R0.240 CC(C)CCCC(C)NC(=O)CCl S380350 [0,1,1,0,0,0|2,0,0]=4 76 B12R1.8 CCCCCCC1CCCCC1 S415766 [1,1,0,0,0,0|1,0,1]=4 77 B12R1.8 ClCCCCOC1CCCCO1 PH000153 [1,1,0,0,0,0|1,0,1]=4 78 B12R1.8 OCCCCOC1CCCCO1 T244813 [1,1,0,0,0,0|1,0,1]=4 79 B12R1.30 CCCCC(O)C1CCCCC1 S876666 [1,1,0,0,0,0|1,0,1]=4 80 B12R1.7 C(=C\CCC1CCC(=O)C1)\CC T279757 [0,1,0,0,1,0|1,0,1]=4 81 B12R1.456 CCCCCC1=CC(=O)CC1C T202762 [0,1,0,0,1,0|1,0,1]=4 82 B12R1.456 CCCCC[C@H]1N=C(C[C@H]1C)N PH015189 [0,1,0,0,1,0|2,0,0]=4 83 B12R1.318 CCOC(=O)CC1CCCC1=O T175358 [0,1,0,0,1,0|1,0,1]=4 84 B12R1.567 CCCCCN1C(=O)CCC1=O PH011424 [0,1,0,0,1,0|1,0,1]=4 85 B12R1.1564 CCOC(=O)N1CCCCCC1 T168556 [0,0,1,1,0,0|2,0,0]=4 86 B12R1.1392 CC(=O)OC1=CCCCCCC1 S39196 [0,0,1,1,0,0|0,0,2]=4 87 B12R1.1392 CC(=O)OC1C=CCCCCC1 T172537 [0,0,1,1,0,0|0,0,2]=4 88 B12R1.1392 CC(=O)OC1CCCCCCC1 S345067 [0,0,1,1,0,0|0,0,0]=2 89 B12R1.1392 CC(=O)OC1CCCCCOC1 T165980 [0,0,1,1,0,0|1,0,0]=3 90 B12R1.1392 CC(=O)OC1CCCCOCC1 T177261 [0,0,1,1,0,0|1,0,0]=3 91 B12R1.1392 NC(=O)NC1CCCCCCC1 S345083 [0,0,1,1,0,0|2,0,0]=4 92 B12R1.3862 CC(=O)OC1(CCCCC1)C#N S431044 [0,0,1,1,0,0|1,0,1]=4 93 B12R1.482 C=C1CC1CC(O)CCCCC R240346 [0,0,1,1,0,0|1,0,0]=3 94 B12R1.125 CN1CCCCC1CCC(=O)O CBR01004 [0,0,1,1,0,0|1,0,0]=3 95 B12R1.125 O=C(O)CCC1CCCCC1=O PH010413 [0,0,1,1,0,0|1,0,1]=4 96 B12R1.212 N[C@H]1CCCCCC[C@H]1C(=O)O BBO000396 [0,0,1,1,0,0|1,0,0]=3 97 B12R1.1343 O=C(O)CCN1CCCCCC1 T318035 [0,0,1,1,0,0|1,0,0]=3 98 B12R1.3441 CC1CCCC(N1C(=O)CCl)C PH009870 [0,0,1,1,0,0|2,0,0]=4 99 B12R2.24 C12CCCCC1NC(=O)CC2 S782548 [1,0,0,1,0,0|1,0,0]=3 100 B12R2.4370 C1CCC2(CC1)CCCNC2 CDS002157 [1,0,0,1,0,0|2,0,0]=4 101 B12R2.375 C(=O)C1CCC2C1CC(=O)O2 T211354 [0,0,0,1,1,0|1,0,1]=4 102 B12R2.2314 O=C1CCC2(O1)CCCC2=O T273600 [0,0,0,1,1,0|1,0,1]=4 103 B12R2.2918 O=C1CCC2(N1)CCCCC2 PH008917 [0,0,0,1,1,0|1,0,0]=3 104 B12R2.2918 O=C1CCC2(O1)CCCCC2 T223042 [0,0,0,1,1,0|0,0,0]=2 105 B12R2.2918 O=C1CSC2(N1)CCCCC2 PH010365 [0,0,0,1,1,0|2,0,0]=4 106 B12R2.2918 O=C1NCC2(O1)CCNCC2 CDS021614 [0,0,0,1,1,0|2,0,0]=4 107 B12R2.10 O=C1CCCC1=C2CCCC2 R238295 [0,0,0,1,1,0|0,0,2]=4 108 B12R2.10 O=C1CCCC1C2CCCC2 S497320 [0,0,0,1,1,0|0,0,0]=2 109 B12R2.96 O=C1CCCC12CCCC2=O T278939 [0,0,0,1,1,0|1,0,1]=4 110 B12R2.694 O=C1C2CCCCCC1CC2 T187623 [0,0,0,1,1,0|0,0,0]=2 111 B10R1.29 CCCCN1CCCC1=O S434221 [1,0,0,0,1,0|1,0,0]=3 112 B10R1.21 BrCCCCC1OCCO1 CDS000118 [1,0,0,0,1,0|2,0,0]=4