0 B12R1.7 C(=C\CCC1CCC(=O)C1)\CC T279757 [0,0,0,0,0,0|1,0,2]=3 1 B11R1.4 CCCCOCC1CCCO1 S866369 [1,0,0,0,0,0|1,0,1]=3 2 B11R1.27 CCCCSC1=CC(=O)CC1 T217042 [1,0,0,0,0,0|2,0,1]=4 3 B13R1.41 CCOC(=O)CCC1CCC(=O)N1 PH008560 [0,1,0,0,0,0|2,0,1]=4 4 B13R1.41 CCOC(=O)CCC1CCC(=O)O1 PH008738 [0,1,0,0,0,0|1,0,1]=3 5 B13R1.3688 CCCCCCC1(CCC(=O)O1)C PH011389 [0,1,0,0,0,0|0,0,0]=1 6 B11R0.2 CCCCCCC(C)CC(=O)O CDS011550 [0,0,1,0,0,0|2,0,0]=3 7 B11R0.148 CCCCCC#CCCC(=O)C S884901 [0,0,1,0,0,0|1,0,2]=4 8 B11R0.148 CCCCCC/C=C/CC(=O)O CDS000299 [0,0,1,0,0,0|0,0,2]=3 9 B11R0.148 CCCCCCCCC=C(C)C T293466 [0,0,1,0,0,0|2,0,1]=4 10 B11R0.148 CCCCCCCCCC(=N)N PH012191 [0,0,1,0,0,0|2,0,0]=3 11 B11R0.148 CCCCCCCCCC(=O)N S549878 [0,0,1,0,0,0|1,0,0]=2 12 B11R0.148 CCCCCCCCCC(C)Br S452572 [0,0,1,0,0,0|2,0,1]=4 13 B11R0.148 CCCCCCCCCC(C)N S540293 [0,0,1,0,0,0|2,0,1]=4 14 B11R0.148 CCCCCCCCSC(=N)N S385239 [0,0,1,0,0,0|3,0,0]=4 15 B11R0.148 CCCCOCCOCC(=O)O CDS000206 [0,0,1,0,0,0|2,0,0]=3 16 B11R0.148 O=C(O)CCCCCCCCBr T333328 [0,0,1,0,0,0|1,0,0]=2 17 B11R0.148 O=C(O)CCCCCCCCO CDS018651 [0,0,1,0,0,0|1,0,0]=2 18 B13R2.13132 O=C1CC2(CCCCCC2)CN1 CBR00301 [0,0,0,1,0,0|2,0,0]=3 19 B10R0.1 CCCCCC[C@@H](C)N=C=O CDS001056 [1,0,1,0,0,0|1,0,1]=4 20 B10R0.4 CCCCC/C=C/CC(=O)O CDS000243 [1,0,1,0,0,0|0,0,2]=4 21 B10R0.4 CCCCCCC#CC(=O)O S354023 [1,0,1,0,0,0|0,0,2]=4 22 B10R0.4 CCCCCCCCC(=N)N PH012190 [1,0,1,0,0,0|2,0,0]=4 23 B10R0.4 CCCCCCCCC(=O)N S595268 [1,0,1,0,0,0|1,0,0]=3 24 B10R0.4 CCCCCCCC[N+](=O)[O-] S917680 [1,0,1,0,0,0|1,0,1]=4 25 B10R0.4 CCCCCCCNC(=O)C R704377 [1,0,1,0,0,0|1,0,0]=3 26 B10R0.4 CCCCCCCNC(=O)N S516643 [1,0,1,0,0,0|2,0,0]=4 27 B10R0.4 COCCOCCOC(=O)C S705659 [1,0,1,0,0,0|2,0,0]=4 28 B10R0.6 CCCOCC(C)OC(=O)C S84450 [1,0,1,0,0,0|1,0,0]=3 29 B10R0.71 C#CCCCCCCCCC CDS001229 [1,0,1,0,0,0|1,0,1]=4 30 B10R0.71 CCCCCCCCCCF S570354 [1,0,1,0,0,0|1,0,1]=4 31 B10R0.71 CCCCCCCCSCC S570656 [1,0,1,0,0,0|2,0,0]=4 32 B10R0.71 CCCCCCCSCCO S362220 [1,0,1,0,0,0|1,0,1]=4 33 B10R0.74 CCCCCC#CC(=O)CC S128325 [1,0,1,0,0,0|0,0,2]=4 34 B10R0.74 CCCCCCCC(=O)CC S544043 [1,0,1,0,0,0|0,0,0]=2 35 B10R0.74 CCCCCCCC(=O)NO CDS000528 [1,0,1,0,0,0|2,0,0]=4 36 B10R0.74 CCCCCCCC(=O)N[O-] S756199 [1,0,1,0,0,0|2,0,0]=4 37 B10R0.74 CCCCCCCC(O)CC CDS001495 [1,0,1,0,0,0|0,0,2]=4 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 B12R0.113 CCCCCCC(C)OC(=S)SC S864986 [0,1,1,0,0,0|0,1,0]=3 41 B12R0.1 CCCCOCCOC(=O)CCC PH008717 [0,1,1,0,0,0|1,0,0]=3 42 B12R0.183 CCC(=O)CCCCCC(=O)CC S872482 [0,1,1,0,0,0|1,0,1]=4 43 B12R0.184 CC(C)CCCCCOC(=O)CS S559040 [0,1,1,0,0,0|1,0,0]=3 44 B12R0.248 C=CC(=O)OCCCCCCCC CDS004485 [0,1,1,0,0,0|0,0,2]=4 45 B12R0.248 CCCCCCCCCC(=O)CC CDS000235 [0,1,1,0,0,0|1,0,0]=3 46 B12R0.248 CCCCCCCCNC(=O)CCl S376833 [0,1,1,0,0,0|2,0,0]=4 47 B12R0.248 CCCCCCCCOC(=O)CCl S530727 [0,1,1,0,0,0|1,0,0]=3 48 B12R0.248 COC(=O)CCCCCCCCI T266353 [0,1,1,0,0,0|2,0,0]=4 49 B12R0.251 CCCCCCCCC(=O)C(C)C S866784 [0,1,1,0,0,0|1,0,0]=3 50 B12R0.234 C=CCCCCCCCCC(=O)[O-] CDS003850 [0,1,1,0,0,0|0,0,2]=4 51 B12R0.234 CC(=O)NCCCCCCCCN S233641 [0,1,1,0,0,0|2,0,0]=4 52 B12R0.234 CCCCCCCCCCC(=N)N PH012196 [0,1,1,0,0,0|2,0,0]=4 53 B12R0.234 CCCCCCCCCNC(=S)N PH008429 [0,1,1,0,0,0|1,1,0]=4 54 B12R0.234 CCCCCCCCCOC(=O)C S364258 [0,1,1,0,0,0|1,0,0]=3 55 B12R0.234 CCCCCCCCCSC(=N)N PH011951 [0,1,1,0,0,0|2,0,0]=4 56 B12R0.234 CCCCCCCCNCC(=O)N PH010602 [0,1,1,0,0,0|1,0,0]=3 57 B12R0.234 CCCCCCCCOCC(=O)O PH010016 [0,1,1,0,0,0|0,0,0]=2 58 B12R0.234 N#CCCCCCCCCC(=O)O S367591 [0,1,1,0,0,0|0,0,1]=3 59 B12R0.268 CC(O)CCCCCCCC(=O)O S888087 [0,1,1,0,0,0|0,0,0]=2 60 B12R0.205 CCCCCCC(OCC)OCC PH010229 [0,1,1,0,0,0|1,0,1]=4 61 B12R1.255 CC(O)CCCCC1CCCO1 R397423 [1,1,0,0,0,0|0,0,1]=3 62 B12R1.477 CCC(O)CCCC1OCCO1 T246700 [1,1,0,0,0,0|1,0,1]=4 63 B12R1.456 CCCCCC1=CC(=O)CC1C T202762 [1,1,0,0,0,0|1,0,1]=4 64 B12R1.456 CCCCC[C@H]1N=C(C[C@H]1C)N PH015189 [1,1,0,0,0,0|2,0,0]=4 65 B12R1.1392 CC(=O)OC1=CCCCCCC1 S39196 [0,0,1,1,0,0|0,0,2]=4 66 B12R1.1392 CC(=O)OC1C=CCCCCC1 T172537 [0,0,1,1,0,0|0,0,2]=4 67 B12R1.1392 CC(=O)OC1CCCCCCC1 S345067 [0,0,1,1,0,0|0,0,0]=2 68 B12R1.1392 CC(=O)OC1CCCCCOC1 T165980 [0,0,1,1,0,0|1,0,0]=3 69 B12R1.1392 CC(=O)OC1CCCCOCC1 T177261 [0,0,1,1,0,0|1,0,0]=3 70 B12R1.1392 NC(=O)NC1CCCCCCC1 S345083 [0,0,1,1,0,0|2,0,0]=4 71 B12R1.27 O=C(CCl)NCC1CCCCC1 CBR00098 [0,0,1,1,0,0|2,0,0]=4 72 B12R1.150 O=C1CCCCCCCCC1O S116742 [0,0,1,1,0,0|2,0,0]=4 73 B12R1.371 CCC(=O)NC1CCCCC1Cl R787426 [0,0,1,1,0,0|2,0,0]=4 74 B12R1.30 CCCCC(O)C1CCCCC1 S876666 [0,0,1,1,0,0|1,0,1]=4 75 B12R1.1778 O[C@@]1(CCCC[C@@H]1C)CCCO T248355 [0,0,1,1,0,0|0,0,2]=4 76 B12R1.1778 [18OH][C@@]1(CCCC[C@@H]1C)CCCO T244422 [0,0,1,1,0,0|0,0,2]=4 77 B12R1.1778 [18OH][C@]1(CCCC[C@@H]1C)CCCO T244376 [0,0,1,1,0,0|0,0,2]=4 78 B12R1.1778 [18OH][C@]1(CCCC[C@@H]1C)CCCO T244481 [0,0,1,1,0,0|0,0,2]=4 79 B12R1.125 CN1CCCCC1CCC(=O)O CBR01004 [0,0,1,1,0,0|1,0,0]=3 80 B12R1.125 O=C(O)CCC1CCCCC1=O PH010413 [0,0,1,1,0,0|1,0,1]=4 81 B12R1.252 NC(=O)CCCC1CCCCC1 L159417 [0,0,1,1,0,0|1,0,0]=3 82 B12R1.252 O=C(O)CCCC1CCCCC1 S462837 [0,0,1,1,0,0|0,0,0]=2 83 B12R1.252 O=C(O)CCCN1CCCCC1 PH017094 [0,0,1,1,0,0|1,0,0]=3 84 B12R1.252 O=C(O)CCCN1CCOCC1 CDS019660 [0,0,1,1,0,0|2,0,0]=4 85 B12R1.252 O=C(O)CCNC1CCCCC1 S373834 [0,0,1,1,0,0|1,0,0]=3 86 B12R1.252 O=C(O)COCC1CCCCO1 CBR01455 [0,0,1,1,0,0|2,0,0]=4 87 B12R1.252 O=C([O-])CCCC1CCCCC1 S462209 [0,0,1,1,0,0|0,0,1]=3 88 B12R1.1343 O=C(O)CCN1CCCCCC1 T318035 [0,0,1,1,0,0|1,0,0]=3 89 B12R2.2 C1CCC(CC1)C2CCCN2 PH009878 [1,0,0,1,0,0|1,0,1]=4 90 B12R2.2 C1CCC(CC1)C2CCNC2 CBR01922 [1,0,0,1,0,0|2,0,0]=4 91 B12R2.4328 C1CCCC2(CC1)OCCO2 T168904 [1,0,0,1,0,0|1,0,1]=4 92 B12R2.375 C(=O)C1CCC2C1CC(=O)O2 T211354 [1,0,0,1,0,0|1,0,1]=4 93 B12R2.2314 O=C1CCC2(O1)CCCC2=O T273600 [1,0,0,1,0,0|1,0,1]=4 94 B12R2.2918 O=C1CCC2(N1)CCCCC2 PH008917 [1,0,0,1,0,0|1,0,0]=3 95 B12R2.2918 O=C1CCC2(O1)CCCCC2 T223042 [1,0,0,1,0,0|0,0,0]=2 96 B12R2.2918 O=C1CSC2(N1)CCCCC2 PH010365 [1,0,0,1,0,0|2,0,0]=4 97 B12R2.2918 O=C1NCC2(O1)CCNCC2 CDS021614 [1,0,0,1,0,0|2,0,0]=4 98 B14R2.68 O=C1CCC(CC1)C2CCCCC2 S528625 [0,0,0,1,0,1|1,0,0]=3 99 B14R2.72 O=C1C=CC(CC1)CC2CCCO2 T220469 [0,0,0,1,0,1|2,0,0]=4 100 B14R3.4433 O=C1C=C2C3CCCC(C3)C2C1 T236675 [0,0,0,2,0,0|1,0,1]=4 101 B14R3.17520 [C@@H]1([C@@H]2[C@H]1[C@@H]3[C@H](C2)OC(=O)C3)C=O PH009262 [0,0,0,2,0,0|1,0,1]=4 102 B10R0.75 CCCCCCC(C)N(C)C S336998 [0,0,1,0,1,0|2,0,0]=4