0 B9R0.45 C(CCCCBr)CCCBr A15651 [0,0,0,0,0,0|4,0,0]=4 1 B9R0.45 C(CCCCBr)CCCO H27628 [0,0,0,0,0,0|4,0,0]=4 2 B9R0.45 C(CCCCCl)CCCO H28417 [0,0,0,0,0,0|4,0,0]=4 3 B9R0.45 C(CCCCI)CCCI A10867 [0,0,0,0,0,0|4,0,0]=4 4 B9R0.45 C(CCCCN)CCCN B23885 [0,0,0,0,0,0|2,0,0]=2 5 B9R0.45 C(CCCCO)CCCO A15402 [0,0,0,0,0,0|4,0,0]=4 6 B9R0.45 C(CCCCS)CCCS B24693 [0,0,0,0,0,0|4,0,0]=4 7 B9R0.45 C(CCNCCCN)CN A19096 [0,0,0,0,0,0|3,0,0]=3 8 B9R0.45 C(CNCCNCCN)N A16128 [0,0,0,0,0,0|0,0,0]=0 9 B9R0.45 C(COCCCl)OCCCl B22884 [0,0,0,0,0,0|4,0,0]=4 10 B9R0.45 C(COCCOCCN)N 44759 [0,0,0,0,0,0|2,0,0]=2 11 B9R0.45 C(COCCOCCO)O A10772 [0,0,0,0,0,0|4,0,0]=4 12 B9R0.45 C(CSCCSCCO)O A17654 [0,0,0,0,0,0|4,0,0]=4 13 B9R0.45 CCCCCCCCCBr A10577 [0,0,0,0,0,0|4,0,0]=4 14 B9R0.45 CCCCCCCCCC 31209 [0,0,0,0,0,0|4,0,0]=4 15 B9R0.45 CCCCCCCCCC A14732 [0,0,0,0,0,0|4,0,0]=4 16 B9R0.45 CCCCCCCCCCl L09909 [0,0,0,0,0,0|4,0,0]=4 17 B9R0.45 CCCCCCCCCI A10667 [0,0,0,0,0,0|4,0,0]=4 18 B9R0.45 CCCCCCCCCN A18209 [0,0,0,0,0,0|3,0,0]=3 19 B9R0.45 CCCCCCCCCO A12510 [0,0,0,0,0,0|4,0,0]=4 20 B9R0.45 CCCCCCCCCS L10988 [0,0,0,0,0,0|4,0,0]=4 21 B9R0.45 CCCCCCCCC[Zn+] H58604 [0,0,0,0,0,0|4,0,0]=4 22 B9R0.45 CCCCCCOCCO B22385 [0,0,0,0,0,0|4,0,0]=4 23 B9R0.45 CCCNCCNCCC L04671 [0,0,0,0,0,0|2,0,0]=2 24 B8R0.4 C(CCCN)CCCN L02853 [1,0,0,0,0,0|1,0,0]=2 25 B8R0.4 C(CCCO)CCCBr H54762 [1,0,0,0,0,0|3,0,0]=4 26 B8R0.4 C(CCCO)CCCO L06384 [1,0,0,0,0,0|3,0,0]=4 27 B8R0.4 CCCCCCCCBr A14722 [1,0,0,0,0,0|3,0,0]=4 28 B8R0.4 CCCCCCCCC A16177 [1,0,0,0,0,0|3,0,0]=4 29 B8R0.4 CCCCCCCCCl L04358 [1,0,0,0,0,0|3,0,0]=4 30 B8R0.4 CCCCCCCCI B22214 [1,0,0,0,0,0|3,0,0]=4 31 B8R0.4 CCCCCCCCN B24193 [1,0,0,0,0,0|2,0,0]=3 32 B8R0.4 CCCCCCCCO A15977 [1,0,0,0,0,0|3,0,0]=4 33 B8R0.4 CCCCCCCCO H36188 [1,0,0,0,0,0|3,0,0]=4 34 B8R0.4 CCCCCCCCS L07195 [1,0,0,0,0,0|3,0,0]=4 35 B8R0.4 CCCCCCCC[Mg+] H51174 [1,0,0,0,0,0|3,0,0]=4 36 B8R0.4 CCCCCCCC[O-] H37523 [1,0,0,0,0,0|3,0,0]=4 37 B8R0.4 CCCCCCCC[Zn+] H58444 [1,0,0,0,0,0|3,0,0]=4 38 B8R0.4 CCCCCSCCO B22772 [1,0,0,0,0,0|3,0,0]=4 39 B8R0.4 CCOCCOCCBr L08522 [1,0,0,0,0,0|3,0,0]=4 40 B8R0.4 CCOCCOCCO A14670 [1,0,0,0,0,0|3,0,0]=4 41 B10R0.71 C(CCCCN)CCCCN L02043 [0,1,0,0,0,0|2,0,0]=3 42 B10R0.71 C(CNCCN)CNCCN H54950 [0,1,0,0,0,0|0,0,0]=1 43 B10R1.17 C1CCC(CC1)NCCO L10821 [0,0,0,1,0,0|3,0,0]=4 44 B10R1.85 C1CCCN(CC1)CCCl L01833 [0,0,0,1,0,0|3,0,0]=4 45 B10R1.85 C1CCCN(CC1)CCO L06497 [0,0,0,1,0,0|3,0,0]=4 46 B7R0.1 C(CCC#N)CCN H27804 [2,0,0,0,0,0|0,0,2]=4 47 B7R0.1 C(CCCBr)CCBr A13417 [2,0,0,0,0,0|2,0,0]=4 48 B7R0.1 C(CCCBr)CCCl B21619 [2,0,0,0,0,0|2,0,0]=4 49 B7R0.1 C(CCCBr)CCO B21803 [2,0,0,0,0,0|2,0,0]=4 50 B7R0.1 C(CCCCl)CCCl B21763 [2,0,0,0,0,0|2,0,0]=4 51 B7R0.1 C(CCCCl)CCO A14582 [2,0,0,0,0,0|2,0,0]=4 52 B7R0.1 C(CCCI)CCCl L05198 [2,0,0,0,0,0|2,0,0]=4 53 B7R0.1 C(CCCI)CCI A15368 [2,0,0,0,0,0|2,0,0]=4 54 B7R0.1 C(CCCN)CCN A14212 [2,0,0,0,0,0|0,0,0]=2 55 B7R0.1 C(CCCO)CCN L14157 [2,0,0,0,0,0|1,0,0]=3 56 B7R0.1 C(CCCO)CCO A12439 [2,0,0,0,0,0|2,0,0]=4 57 B7R0.1 C(CCCS)CCS L06686 [2,0,0,0,0,0|2,0,0]=4 58 B7R0.1 C(CCC[Zn+])CCCl H58330 [2,0,0,0,0,0|2,0,0]=4 59 B7R0.1 C(CN)CNCCBr H60309 [2,0,0,0,0,0|1,0,0]=3 60 B7R0.1 C(CN)CNCCN A19108 [2,0,0,0,0,0|0,0,0]=2 61 B7R0.1 C(CSSCCN)N B22873 [2,0,0,0,0,0|2,0,0]=4 62 B7R0.1 CCCCCCCBr A14031 [2,0,0,0,0,0|2,0,0]=4 63 B7R0.1 CCCCCCCC A13181 [2,0,0,0,0,0|2,0,0]=4 64 B7R0.1 CCCCCCCI B24206 [2,0,0,0,0,0|2,0,0]=4 65 B7R0.1 CCCCCCCN A17922 [2,0,0,0,0,0|1,0,0]=3 66 B7R0.1 CCCCCCCO A12793 [2,0,0,0,0,0|2,0,0]=4 67 B7R0.1 CCCCCCCS L07079 [2,0,0,0,0,0|2,0,0]=4 68 B7R0.1 CCCCCCC[Mg+] H51173 [2,0,0,0,0,0|2,0,0]=4 69 B7R0.1 CCCCCCC[Zn+] H58840 [2,0,0,0,0,0|2,0,0]=4 70 B7R0.1 CCCCNCCN L13437 [2,0,0,0,0,0|0,0,0]=2 71 B7R0.1 CCCCOCCO A17976 [2,0,0,0,0,0|2,0,0]=4 72 B7R0.1 CCNCCNCC A17113 [2,0,0,0,0,0|0,0,0]=2 73 B7R0.1 CCOCCOCC L14283 [2,0,0,0,0,0|2,0,0]=4 74 B9R0.2 CCCCCCC[C@@H](C)N L19310 [1,1,0,0,0,0|2,0,0]=4 75 B9R0.2 CCCCCCC[C@H](C)N L19311 [1,1,0,0,0,0|2,0,0]=4 76 B9R1.8 C1CCC(=CC1)CCN L08261 [1,0,0,1,0,0|2,0,0]=4 77 B9R1.8 C1CCC(CC1)CCN H27987 [1,0,0,1,0,0|2,0,0]=4 78 B9R1.8 C1CCC(CC1)CCN H35368 [1,0,0,1,0,0|2,0,0]=4 79 B9R1.8 C1CCN(CC1)CCCl B22985 [1,0,0,1,0,0|2,0,0]=4 80 B9R1.8 C1CCN(CC1)CCN A18373 [1,0,0,1,0,0|1,0,0]=3 81 B9R1.8 C1CCN(CC1)CCO B23816 [1,0,0,1,0,0|2,0,0]=4 82 B9R1.8 C1CN(CCN1)CCN A10154 [1,0,0,1,0,0|0,0,0]=2 83 B9R1.8 C1CN(CCN1)CCO A17215 [1,0,0,1,0,0|1,0,0]=3 84 B9R1.8 C1COCCN1CCCl L05771 [1,0,0,1,0,0|2,0,0]=4 85 B9R1.8 C1COCCN1CCN B21365 [1,0,0,1,0,0|1,0,0]=3 86 B9R1.8 C1COCCN1CCO B22759 [1,0,0,1,0,0|2,0,0]=4 87 B9R1.8 C=CCN1CCNCC1 L19391 [1,0,0,1,0,0|1,0,1]=4 88 B9R1.8 CCCC1CCNCC1 H25848 [1,0,0,1,0,0|2,0,0]=4 89 B9R1.8 CCCN1CCNCC1 A10258 [1,0,0,1,0,0|1,0,0]=3 90 B9R1.8 CCNC1CCCCC1 L14221 [1,0,0,1,0,0|2,0,0]=4 91 B9R1.8 CCOC1CCCNC1 H50957 [1,0,0,1,0,0|2,0,0]=4 92 B9R1.8 CCOC1CCCNC1 H51152 [1,0,0,1,0,0|2,0,0]=4 93 B9R1.14 CCN1CCC[C@@H]1CN H57638 [1,0,0,1,0,0|1,0,0]=3 94 B9R1.14 CCN1CCC[C@H]1CN H57137 [1,0,0,1,0,0|1,0,0]=3 95 B9R1.50 C1CCCC(CCC1)N L00981 [1,0,0,1,0,0|2,0,0]=4 96 B9R1.89 C1CCCC(CC1)CN L14659 [1,0,0,1,0,0|2,0,0]=4 97 B11R1.135 CN1CCCN(CC1)CCN H50837 [0,1,0,1,0,0|1,0,0]=3 98 B11R1.28 C1CCC(CC1)NCCCN L11250 [0,1,0,1,0,0|2,0,0]=4 99 B11R1.203 COCCN1CCCNCC1 H31806 [0,1,0,1,0,0|2,0,0]=4 100 B11R2.20 C1CCN2CCNCC2C1 H52305 [0,0,0,2,0,0|2,0,0]=4