0 B9R0.2 CCCCCCCC(=O)[O-] F12023 [0,0,0,0,0,0|1,0,2]=3 1 B9R0.2 O=C(O)CNCCCCO 72467 [0,0,0,0,0,0|3,0,1]=4 2 B8R0.7 NCCCCCC(=O)O P19609 [1,0,0,0,0,0|2,0,1]=4 3 B8R0.7 NCCCCCC(N)=O AC6029 [1,0,0,0,0,0|2,0,1]=4 4 B8R0.7 O=C([O-])CCCCCO Y14708 [1,0,0,0,0,0|2,0,1]=4 5 B10R0.4 CC(=O)NCCCCCCN D93510 [0,1,0,0,0,0|1,0,1]=3 6 B10R0.4 O=C(O)CCCCCCCO S10749 [0,1,0,0,0,0|1,0,2]=4 7 B10R0.74 NCC(=O)NCCCCCBr D84097 [0,1,0,0,0,0|2,0,1]=4 8 B10R0.75 CCCCCC[C@H](C)C(=O)Cl 13028 [0,1,0,0,0,0|1,0,2]=4 9 B10R1.16 CC1=CC=C(CCCN)S1 71973 [0,0,0,1,0,0|1,1,1]=4 10 B10R1.16 CCCCC1=CC=C(Br)S1 W19333 [0,0,0,1,0,0|1,1,1]=4 11 B10R1.16 CCCC[C@H]1CCC(=O)O1 AC2057 [0,0,0,1,0,0|1,0,2]=4 12 B10R1.18 CC(=O)C=C1CCCCC1 W15953 [0,0,0,1,0,0|0,0,0]=1 13 B10R1.18 CC(=O)CC1CCCCC1 D84585 [0,0,0,1,0,0|0,0,2]=3 14 B10R1.18 CC(=O)NC1CCCCC1 A11899 [0,0,0,1,0,0|1,0,1]=3 15 B10R1.18 CC(=O)N[C@H]1CCCNC1 C77680 [0,0,0,1,0,0|2,0,1]=4 16 B10R1.18 O=C(O)C=C1CCNCC1 D71979 [0,0,0,1,0,0|2,0,0]=3 17 B10R1.66 O=C(O)CNC1CCCC1 AB6936 [0,0,0,1,0,0|2,0,1]=4 18 B10R1.66 O=C(O)CNC1CCCC1 W15241 [0,0,0,1,0,0|2,0,1]=4 19 B10R1.78 O=C1CCCCCCCC1 AC8766 [0,0,0,1,0,0|0,0,2]=3 20 B10R1.78 O=C1CCCCCCCN1 D74918 [0,0,0,1,0,0|1,0,1]=3 21 B10R1.348 CC(=O)N1CCCNCC1 W19159 [0,0,0,1,0,0|2,0,1]=4 22 B10R1.348 NC(=O)C1CCCCCC1 C72770 [0,0,0,1,0,0|1,0,2]=4 23 B10R1.348 O=C(Cl)C1CCCCCC1 D96414 [0,0,0,1,0,0|1,0,2]=4 24 B10R1.348 O=C(O)[C@@H]1CCCCCN1 I10217 [0,0,0,1,0,0|2,0,1]=4 25 B7R0.1 C=CCCCCNC R10008 [2,0,0,0,0,0|1,0,1]=4 26 B7R0.4 CC(=O)CCCCBr O11558 [2,0,0,0,0,0|1,0,0]=3 27 B7R0.4 CC(=O)OCCCBr C75766 [2,0,0,0,0,0|2,0,0]=4 28 B7R0.4 CCCOCC(=O)O AC1647 [2,0,0,0,0,0|2,0,0]=4 29 B7R0.4 CCNCCC(N)=O AT24732 [2,0,0,0,0,0|2,0,0]=4 30 B7R0.4 CNCCCC(N)=O 21232 [2,0,0,0,0,0|2,0,0]=4 31 B7R0.4 COCCCC(=O)O 78063 [2,0,0,0,0,0|2,0,0]=4 32 B9R0.4 CCCC[C@H](C)OC(=O)Cl S11041 [1,1,0,0,0,0|2,0,0]=4 33 B9R0.47 C=C(C)C(=O)NCCCC AB10367 [1,1,0,0,0,0|2,0,0]=4 34 B9R0.47 CCCCCC(=O)N(C)C C16028 [1,1,0,0,0,0|2,0,0]=4 35 B9R0.47 CCCCC[C@H](N)C(=O)O C10639 [1,1,0,0,0,0|1,0,1]=4 36 B9R0.47 CCCCC[C@H](N)C(=O)O C75217 [1,1,0,0,0,0|1,0,1]=4 37 B9R0.48 CCOC(=O)\C=C\C(C)=O 71109 [1,1,0,0,0,0|1,0,1]=4 38 B9R0.55 CC(=O)CCCOC(C)=O D74850 [1,1,0,0,0,0|1,0,1]=4 39 B9R0.55 CC(C)CCCCC(=O)O D95053 [1,1,0,0,0,0|1,0,1]=4 40 B11R0.30 CC(=O)CCCCCCC(C)=O C73196 [0,2,0,0,0,0|0,0,2]=4 41 B11R0.40 COC(=O)CCCCCCCBr D94848 [0,2,0,0,0,0|0,0,2]=4 42 B11R0.148 CCCC\C=C/CCOC(C)=O D93562 [0,2,0,0,0,0|0,0,2]=4 43 B11R0.77 C=C[C@H](CCCCC)OC(C)=O D71009 [0,2,0,0,0,0|1,0,1]=4 44 B11R0.4 CCCCCCNC(=O)CCC W15994 [0,2,0,0,0,0|1,0,1]=4 45 B11R0.4 CCOC(=O)\C=C\CCCCCl 56157 [0,2,0,0,0,0|1,0,0]=3 46 B9R1.8 O=CCC1CCCCC1 11388 [1,0,0,1,0,0|0,0,2]=4 47 B9R1.50 O[C@@H]1C=CCCCCC1 AT23384 [1,0,0,1,0,0|0,0,2]=4 48 B9R1.50 O[C@@H]1CCC=CCCC1 C76726 [1,0,0,1,0,0|1,0,1]=4 49 B9R1.2 CCN1CCNC(=O)C1 C76051 [1,0,0,1,0,0|2,0,0]=4 50 B9R1.2 CCN1CCNC(=O)C1 F52612 [1,0,0,1,0,0|2,0,0]=4 51 B9R1.2 CC[C@H]1CC(=O)CCO1 73975 [1,0,0,1,0,0|1,0,1]=4 52 B9R1.2 NC[C@H]1CCNC(=O)C1 37084 [1,0,0,1,0,0|2,0,0]=4 53 B9R1.2 NC[C@H]1CCNC(=O)C1 72532 [1,0,0,1,0,0|2,0,0]=4 54 B9R1.2 O=C1CCC[C@H](CO)C1 Y10198 [1,0,0,1,0,0|1,0,1]=4 55 B9R1.2 O=C1C[C@@H](CO)CCN1 37567 [1,0,0,1,0,0|2,0,0]=4 56 B9R1.6 O=C(O)C1=CCNCC1 30668 [1,0,0,1,0,0|2,0,0]=4 57 B9R1.7 CCC[C@@H]1COC(=O)C1 S10720 [1,0,0,1,0,0|1,0,0]=3 58 B9R1.7 CCC[C@H]1CCC(=O)C1 A10517 [1,0,0,1,0,0|0,0,1]=3 59 B9R1.7 CCO[C@@H]1C=CC(=O)O1 91454 [1,0,0,1,0,0|2,0,0]=4 60 B9R1.13 CC(=O)N[C@H]1CCNC1 50522 [1,0,0,1,0,0|2,0,0]=4 61 B9R1.13 CC(=O)O[C@@H]1CCCO1 D94546 [1,0,0,1,0,0|2,0,0]=4 62 B9R1.13 CC(=O)S[C@H]1CCOC1 W16075 [1,0,0,1,0,0|2,0,0]=4 63 B9R1.13 NC(=O)NC1CCCC1 W17339 [1,0,0,1,0,0|2,0,0]=4 64 B9R1.48 C[C@H]1CC(=O)NCCN1 38322 [1,0,0,1,0,0|2,0,0]=4 65 B9R1.48 C[C@H]1CCCCC(=O)N1 W19298 [1,0,0,1,0,0|1,0,1]=4 66 B9R1.84 O=C(O)CCC1CCC1 86885 [1,0,0,1,0,0|1,0,1]=4 67 B9R1.84 O=C(O)\C=C\C1CCC1 F53092 [1,0,0,1,0,0|1,0,0]=3 68 B9R1.86 CCC1CC1CC(=O)O D79896 [1,0,0,1,0,0|1,0,1]=4 69 B11R1.24 CCCC[N+]1=CC(C)=CC=C1 T70177 [0,1,0,1,0,0|1,0,1]=4 70 B11R1.27 CCCCCC1=CC=C(Br)S1 W19332 [0,1,0,1,0,0|1,1,0]=4 71 B11R1.230 CCCC[C@H]1CC(=O)OC1=O T70534 [0,1,0,1,0,0|1,0,0]=3 72 B11R1.20 CC(=O)NC1CCC(O)CC1 AC9234 [0,1,0,1,0,0|1,0,1]=4 73 B11R1.25 COC(=O)CCC1CCCC1 AB7510 [0,1,0,1,0,0|0,0,2]=4 74 B11R1.25 O=C(CCl)NCC1CCCC1 W16061 [0,1,0,1,0,0|1,0,1]=4 75 B11R1.40 CCC(=O)NC1CCCCC1 D93363 [0,1,0,1,0,0|1,0,1]=4 76 B11R1.228 COC(=O)\C=C1\CCCN1C 32310 [0,1,0,1,0,0|1,0,0]=3 77 B11R1.852 COC(=O)C1CCCCCC1 70466 [0,1,0,1,0,0|0,0,2]=4 78 B11R2.1478 O=C1CC2(CCC2)CCN1 D81334 [0,0,0,2,0,0|1,0,1]=4 79 B11R2.1 O=C1OCC2CCCCC12 D93790 [0,0,0,2,0,0|1,0,1]=4 80 B11R2.703 O=C1CC2(CCCCC2)C1 W16071 [0,0,0,2,0,0|0,0,2]=4