0 B9R0.37 CCC(CC)C(N)CCO BBO000387 [0,0,0,0,0,0|3,0,0]=3 1 B9R0.37 CCCC(=O)C(CC)CC S504769 [0,0,0,0,0,0|1,0,2]=3 2 B9R0.37 CCOC(=O)C(CC)CN PH016204 [0,0,0,0,0,0|2,0,2]=4 3 B8R0.3 CCCC(=O)C(Br)CC PH011136 [1,0,0,0,0,0|1,0,2]=4 4 B8R0.3 CCCC(O)C(=O)CC PH008572 [1,0,0,0,0,0|0,0,2]=3 5 B8R0.3 CCCC(O)C(C)CC S412430 [1,0,0,0,0,0|0,0,0]=1 6 B8R0.3 CCN(C)C(C)CCN CBR01373 [1,0,0,0,0,0|3,0,0]=4 7 B8R0.11 CCCCC(CC)CCl S431516 [1,0,0,0,0,0|1,0,0]=2 8 B8R0.11 CCCCC(CC)CN CDS000347 [1,0,0,0,0,0|1,0,0]=2 9 B8R0.20 CCC(O)C(CC)CC S442526 [1,0,0,0,0,0|1,0,0]=2 10 B10R1.19 CCC1CNCCCN1C PH019473 [0,0,0,1,0,0|3,0,0]=4 11 B10R1.245 CC1CCCC(C1=NO)C PH009689 [0,0,0,1,0,0|2,0,1]=4 12 B10R0.34 CCN(CC)CC(O)COC R414638 [0,0,0,0,0,1|3,0,0]=4 13 B10R0.34 CCOC(=O)NC(CC)CO S361747 [0,0,0,0,0,1|1,0,2]=4 14 B7R0.3 C=C(CC)CCCC CDS000215 [2,0,0,0,0,0|0,0,2]=4 15 B7R0.3 C=CCCC(O)CC PH011335 [2,0,0,0,0,0|0,0,2]=4 16 B7R0.3 CCCCC(N)CC CDS021471 [2,0,0,0,0,0|1,0,0]=3 17 B7R0.3 CCCN[C@@H](C)CO PH014617 [2,0,0,0,0,0|1,0,0]=3 18 B7R0.3 CCCN[C@H](C)CO PH014618 [2,0,0,0,0,0|1,0,0]=3 19 B7R0.3 CCCSC(C)CC S570672 [2,0,0,0,0,0|1,0,0]=3 20 B7R0.3 CCOCC(O)CCl S379220 [2,0,0,0,0,0|2,0,0]=4 21 B7R0.3 CCSCC(O)CO R161446 [2,0,0,0,0,0|2,0,0]=4 22 B7R0.3 CCSCC(O)CO S327050 [2,0,0,0,0,0|2,0,0]=4 23 B7R0.5 C=C(CCC)C(C)C R289221 [2,0,0,0,0,0|1,0,1]=4 24 B7R0.5 CC(C)C(N)CCO BBO000682 [2,0,0,0,0,0|2,0,0]=4 25 B7R0.5 CCCC(C)C(C)O S433373 [2,0,0,0,0,0|1,0,0]=3 26 B7R0.7 C/C=C/C(O)CCC S417386 [2,0,0,0,0,0|0,0,2]=4 27 B7R0.7 C=CCC(O)CCC S350389 [2,0,0,0,0,0|0,0,2]=4 28 B7R0.7 CCCC(Cl)CCC S563323 [2,0,0,0,0,0|1,0,0]=3 29 B7R0.7 CCCC(S)CCO CDS001520 [2,0,0,0,0,0|0,1,0]=3 30 B7R0.7 CCCS(=O)CCC S440973 [2,0,0,0,0,0|1,0,1]=4 31 B7R0.7 CCOC(C)CCO S322008 [2,0,0,0,0,0|2,0,0]=4 32 B7R0.7 CSCC(O)CSC R227919 [2,0,0,0,0,0|2,0,0]=4 33 B7R0.10 CCC(=O)C(O)CC CDS000463 [2,0,0,0,0,0|0,0,2]=4 34 B7R0.10 CCN(C)C(C)CO CBR01495 [2,0,0,0,0,0|2,0,0]=4 35 B7R0.12 CCN[C@H](CC)CO PH018891 [2,0,0,0,0,0|1,0,0]=3 36 B7R0.12 CCOC(CC)CN CBR01063 [2,0,0,0,0,0|2,0,0]=4 37 B7R0.15 CCC(CC)C(C)O S361860 [2,0,0,0,0,0|1,0,0]=3 38 B9R0.6 CCCC(O)C(C)C(C)O S405051 [1,1,0,0,0,0|0,0,0]=2 39 B9R0.8 CCCCC(=O)C(C)CC S431486 [1,1,0,0,0,0|0,0,2]=4 40 B9R0.8 CCCCC(O)C(C)CC S417467 [1,1,0,0,0,0|0,0,0]=2 41 B9R0.8 CCCOC(=O)C(C)CC CDS000542 [1,1,0,0,0,0|0,0,2]=4 42 B9R0.35 CCCC(=O)C(O)CCC S705500 [1,1,0,0,0,0|0,0,2]=4 43 B9R0.35 CCCC(O)C(O)CCC PH008194 [1,1,0,0,0,0|0,0,0]=2 44 B9R0.26 CC/C(=N\O)/CC(C)CC S388327 [1,1,0,0,0,0|1,0,1]=4 45 B9R0.40 CCCCC(CC)CC#N S374288 [1,1,0,0,0,0|1,0,0]=3 46 B9R0.40 CCCCC(CC)CNN PH013758 [1,1,0,0,0,0|1,0,0]=3 47 B9R0.40 CCCCN(CC)CC#N S343005 [1,1,0,0,0,0|2,0,0]=4 48 B9R0.40 CCN(CCO)CCCN PH009963 [1,1,0,0,0,0|2,0,0]=4 49 B9R0.43 CCC(CC)CCC(C)O S414557 [1,1,0,0,0,0|1,0,0]=3 50 B9R0.43 CCN(CC)CCC(C)N PH010254 [1,1,0,0,0,0|2,0,0]=4 51 B9R0.50 CCN(CC)CCCCN CDS000784 [1,1,0,0,0,0|2,0,0]=4 52 B9R0.50 NCCCCC(CO)CO CDS005071 [1,1,0,0,0,0|1,0,0]=3 53 B9R0.67 CCCCC(O)(CC)CC S412031 [1,1,0,0,0,0|1,0,0]=3 54 B9R0.29 CCC(O)C(CC)[N+](=O)[O-] S848867 [1,1,0,0,0,0|1,0,1]=4 55 B9R0.69 CCC(C)C(C)(CO)CO S343080 [1,1,0,0,0,0|2,0,0]=4 56 B11R0.182 [C@@H](O)(COC)C[C@H](CO)CC=C T276510 [0,1,0,0,0,1|1,0,1]=4 57 B11R0.61 CCOC(OCC)C(O)CNC PH008856 [0,2,0,0,0,0|2,0,0]=4 58 B9R1.3 CC1CCCC(=O)C1C CDS023514 [1,0,0,1,0,0|0,0,2]=4 59 B9R1.3 CC1CCCC(C1C)N PH010573 [1,0,0,1,0,0|1,0,0]=3 60 B9R1.3 CC1CCCC(C1N)C PH016106 [1,0,0,1,0,0|2,0,0]=4 61 B9R1.3 CC1OCCC(C1O)O PH008649 [1,0,0,1,0,0|1,0,0]=3 62 B9R1.5 O[C@@H]1CCCCC[C@H]1O S435201 [1,0,0,1,0,0|0,0,0]=2 63 B9R1.15 CN[C@@H]1CCCC[C@H]1O BBO000382 [1,0,0,1,0,0|1,0,0]=3 64 B9R1.15 N#C[C@@H]1CCCC[C@H]1O PH017201 [1,0,0,1,0,0|1,0,1]=4 65 B9R1.15 NC[C@@H]1CCCC[C@@H]1N BBO000355 [1,0,0,1,0,0|2,0,0]=4 66 B9R1.15 NC[C@@H]1CCCC[C@H]1N BBO000357 [1,0,0,1,0,0|2,0,0]=4 67 B9R1.15 NC[C@H]1CCCC[C@H]1O BBO000725 [1,0,0,1,0,0|1,0,0]=3 68 B9R1.15 NC[C@H]1CCCC[C@H]1O CDS006535 [1,0,0,1,0,0|1,0,0]=3 69 B9R1.15 OC[C@H]1CCNC[C@H]1O CBR01689 [1,0,0,1,0,0|1,0,0]=3 70 B9R1.28 CC1C(C(C1C)CO)C S272132 [1,0,0,1,0,0|2,0,0]=4 71 B9R1.28 C[C@H]1[C@@H]([C@H]([C@@H]1C)CI)C S149268 [1,0,0,1,0,0|2,0,0]=4 72 B9R1.69 CC1CC(CCC1O)O PH007017 [1,0,0,1,0,0|2,0,0]=4 73 B9R1.69 CC1CCC(C(C1)C)O S436828 [1,0,0,1,0,0|1,0,0]=3 74 B9R1.183 C(=C/[C@H](O)[C@@H]1O[C@H]1C)\C T262722 [1,0,0,1,0,0|0,0,2]=4 75 B9R1.202 C[C@@]1(CCCC1=O)CO T218286 [1,0,0,1,0,0|0,0,2]=4 76 B9R1.202 C[C@H]1CNC[C@]1(C)CO PH018942 [1,0,0,1,0,0|2,0,0]=4 77 B9R1.1 CCC1CCC(CC1)N CDS002619 [1,0,0,1,0,0|2,0,0]=4 78 B9R1.1 CCC1CCC(CC1)O S504939 [1,0,0,1,0,0|2,0,0]=4 79 B9R1.1 CCN1CCC(CC1)C S647713 [1,0,0,1,0,0|2,0,0]=4 80 B9R1.1 CC[C@H]1CC[C@@H](CC1)O CDS000137 [1,0,0,1,0,0|2,0,0]=4 81 B9R1.1 CN1CCC(CC1)CCl CBR01527 [1,0,0,1,0,0|2,0,0]=4 82 B9R1.1 CN1CCC(CC1)CN ANV00108 [1,0,0,1,0,0|2,0,0]=4 83 B9R1.1 CN1CCC(CC1)CN CDS006144 [1,0,0,1,0,0|2,0,0]=4 84 B9R1.1 N1CC(CCC1C)CC S361844 [1,0,0,1,0,0|1,0,0]=3 85 B9R1.1 O=C1CCC(CC1)CO CDS017814 [1,0,0,1,0,0|1,0,1]=4 86 B9R1.1 OC[C@H]1CC[C@@H](CC1)O T184683 [1,0,0,1,0,0|1,0,0]=3 87 B9R1.1 OC[C@H]1CC[C@H](CC1)O T184624 [1,0,0,1,0,0|1,0,0]=3 88 B9R1.12 CCCNC1CCCC1 CBR00869 [1,0,0,1,0,0|2,0,0]=4 89 B9R1.12 NCCCC1CCCC1 CBR01730 [1,0,0,1,0,0|2,0,0]=4 90 B9R1.12 NCCCC1CCOC1 T325317 [1,0,0,1,0,0|1,0,0]=3 91 B9R1.21 CCN1CCC(C1)CBr CBR01704 [1,0,0,1,0,0|2,0,0]=4 92 B9R1.21 CCN1CCC(C1)CCl CBR00305 [1,0,0,1,0,0|2,0,0]=4 93 B9R1.21 CCN1CCC(C1)CO CBR00419 [1,0,0,1,0,0|1,0,0]=3 94 B9R1.21 OCC1CCC(C1)CO T237035 [1,0,0,1,0,0|1,0,0]=3 95 B9R1.89 CCC1CCCNCC1 CBR01788 [1,0,0,1,0,0|2,0,0]=4 96 B9R1.89 CNC1CCCCCC1 CBR00882 [1,0,0,1,0,0|2,0,0]=4 97 B9R1.89 O=CC1CCCCCC1 PH015086 [1,0,0,1,0,0|0,0,2]=4 98 B9R1.89 OCC1CNCCCO1 CDS020100 [1,0,0,1,0,0|2,0,0]=4 99 B9R1.89 OCC1CNCCOC1 PH019466 [1,0,0,1,0,0|2,0,0]=4 100 B9R1.94 CCC1(CC1CN)CC CBR00010 [1,0,0,1,0,0|2,0,0]=4 101 B9R1.204 CCC1(CCNC1)CO PH017422 [1,0,0,1,0,0|1,0,0]=3 102 B9R1.204 NCC1(CCCC1)CO CDS008391 [1,0,0,1,0,0|1,0,0]=3 103 B9R1.14 CCN1CCC[C@H]1CO CBR02172 [1,0,0,1,0,0|2,0,0]=4 104 B11R1.12 CCC(CC)C1CCCCN1 PH015572 [0,1,0,1,0,0|2,0,0]=4 105 B11R1.12 NCC(CO)C1CCCCC1 PH015132 [0,1,0,1,0,0|2,0,0]=4 106 B11R1.37 CC1CCC(C(C1)CO)CO S454818 [0,1,0,1,0,0|0,0,0]=2 107 B11R1.51 [C@@H]1(CCCCC[C@H]1CO)CO T192716 [0,1,0,1,0,0|0,0,0]=2 108 B11R1.26 OCC1CCCCCCC1O T232882 [0,1,0,1,0,0|0,0,0]=2 109 B11R1.16 CCCC(O)C1CCCCC1 S447005 [0,1,0,1,0,0|1,0,0]=3 110 B11R1.605 C=C1CCCC(C1CCO)C S884537 [0,1,0,1,0,0|1,0,1]=4 111 B11R1.278 OCC1OCC(C(C1O)O)O S490199 [0,1,0,1,0,0|2,0,0]=4 112 B11R1.166 CC(C)[C@@H]1CC[C@H](C[C@H]1N)C PH015551 [0,1,0,1,0,0|2,0,0]=4 113 B11R1.1064 CC(C)[C@]1(CCC[C@H]1O)CO T232831 [0,1,0,1,0,0|0,0,0]=2 114 B11R2.106 [C@@H]12CCC[C@H]([C@@H]1CCC2)O T167320 [0,0,0,2,0,0|1,0,0]=3 115 B11R2.28 N[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1CO BBO000378 [0,0,0,2,0,0|1,0,0]=3 116 B11R2.28 [C@H]12CC[C@H](C1)[C@H]([C@H]2N)CO BBO000377 [0,0,0,2,0,0|1,0,0]=3 117 B11R2.266 C1(CCC2CCC1O2)[Hg]I T173215 [0,0,0,2,0,0|2,0,0]=4 118 B11R2.363 CC1OCC2C(O1)O[C@H]2O S657697 [0,0,0,2,0,0|2,0,0]=4