0 B9R0.48 CCOC(=O)CCC(C)=O BBL009708 [0,0,0,0,0,0|1,0,1]=2 1 B8R0.1 CCOC(=O)CCCCl BBL011514 [1,0,0,0,0,0|1,0,0]=2 2 B8R0.1 CCOC(=O)CN=C=O BBL027369 [1,0,0,0,0,0|2,0,1]=4 3 B8R0.1 CCOC(=O)\C=C\CBr BBL011101 [1,0,0,0,0,0|1,0,2]=4 4 B8R0.9 CC(C)CNC(=O)CN BBL031396 [1,0,0,0,0,0|2,0,0]=3 5 B8R0.9 CC(O)CCC(=O)NN BBL018741 [1,0,0,0,0,0|3,0,0]=4 6 B8R0.9 COC(=O)CCC(C)=O BBL011529 [1,0,0,0,0,0|1,0,1]=3 7 B10R0.32 CCOC(=O)C(=O)CC(C)=O BBL027738 [0,1,0,0,0,0|1,0,2]=4 8 B10R0.96 CC(C)\C=C\C(=O)CC(C)C BBL028261 [0,1,0,0,0,0|1,0,2]=4 9 B8R0.5 CCOC(=O)CC(=O)O BBL011139 [0,0,0,0,1,0|2,0,1]=4 10 B8R0.5 CCOC(=O)CC(C)=O BBL012204 [0,0,0,0,1,0|1,0,1]=3 11 B8R0.5 CCOC(=O)C[N+](=O)[O-] BBL011138 [0,0,0,0,1,0|3,0,0]=4 12 B10R0.3 CCOC(=O)CCCC(C)=O BBL027744 [0,0,0,0,0,1|1,0,1]=3 13 B7R0.3 CCCCC(=O)CC BBL011476 [2,0,0,0,0,0|0,0,0]=2 14 B7R0.3 CCCCC(=O)NN BBL027902 [2,0,0,0,0,0|2,0,0]=4 15 B7R0.3 CNC(=O)CCCN BBL022745 [2,0,0,0,0,0|2,0,0]=4 16 B7R0.3 CNCCC(=O)NC BBL023441 [2,0,0,0,0,0|2,0,0]=4 17 B7R0.3 COC(=O)CCCCl BBL011535 [2,0,0,0,0,0|1,0,0]=3 18 B7R0.7 CCCC(=O)CCC BBL009715 [2,0,0,0,0,0|1,0,0]=3 19 B7R0.7 CCNC(=O)CCCl BBL037203 [2,0,0,0,0,0|2,0,0]=4 20 B7R0.7 CCOC(=O)CC#N BBL012203 [2,0,0,0,0,0|1,0,1]=4 21 B7R0.7 CCOC(=O)CNN BBL012499 [2,0,0,0,0,0|2,0,0]=4 22 B7R0.7 C\C=C\C(=O)OCC BBL027753 [2,0,0,0,0,0|0,0,2]=4 23 B7R0.6 CC(=O)CCC(=O)O BBL027404 [2,0,0,0,0,0|1,0,1]=4 24 B7R0.6 CC(=O)CCC(C)=O BBL027731 [2,0,0,0,0,0|1,0,1]=4 25 B7R0.6 CC(=O)CCN(C)C BBL013551 [2,0,0,0,0,0|1,0,0]=3 26 B7R0.6 CC(=O)\C=C\C(C)C BBL027791 [2,0,0,0,0,0|0,0,2]=4 27 B7R0.6 CC(C)COC(=O)Cl BBL011424 [2,0,0,0,0,0|2,0,0]=4 28 B7R0.6 CC(C)OCC(=O)O BBL031299 [2,0,0,0,0,0|1,0,0]=3 29 B9R0.4 CNCCC(=O)NC(C)C BBL031766 [1,1,0,0,0,0|2,0,0]=4 30 B9R0.5 CCOC(=O)CCN=C=O BBL037671 [1,1,0,0,0,0|1,0,1]=4 31 B9R0.18 CCCCC(=O)CCCC BBL011668 [1,1,0,0,0,0|1,0,0]=3 32 B9R0.34 CCOC(=O)CC(=O)CCl BBL027317 [1,1,0,0,0,0|1,0,1]=4 33 B9R0.35 CCOC(=O)C(=O)OCC BBL011413 [1,1,0,0,0,0|1,0,1]=4 34 B9R0.7 C=C(C)C(=O)OCC(C)C BBL010919 [1,1,0,0,0,0|1,0,1]=4 35 B9R0.23 COC(=O)C(N)CC(C)C BBL010084 [1,1,0,0,0,0|0,0,0]=2 36 B9R0.53 CC(=O)CC(=O)OC(C)C BBL027993 [0,1,0,0,1,0|1,0,1]=4 37 B9R0.53 CC(C)CC(=O)CC(C)C BBL012214 [0,1,0,0,1,0|1,0,0]=3 38 B9R0.58 CCOS(=O)(=O)CC(C)C BBL036694 [0,1,0,0,1,0|1,0,0]=3 39 B9R1.50 O=C1CCCCCCC1 BBL011399 [1,0,0,1,0,0|1,0,0]=3 40 B9R1.138 CC1(C)COC(=O)C1O BBL005601 [1,0,0,1,0,0|2,0,0]=4 41 B9R1.34 CC1CC(=O)OC(=O)C1 BBL027601 [0,0,0,1,1,0|1,0,1]=4 42 B9R1.66 CC1(C)CC(=O)CCO1 BBL010566 [0,0,0,1,1,0|2,0,0]=4 43 B11R2.126 CC12CCC(=O)N1CCN2 BBL030453 [0,0,0,2,0,0|2,0,0]=4 44 B11R2.613 CC1(C)C2C(=O)OC(=O)C21 BBL013304 [0,0,0,2,0,0|1,0,1]=4 45 B7R0.2 CC(C)CC(=O)NN BBL016229 [1,0,0,0,1,0|2,0,0]=4 46 B7R0.2 CC(C)NC(=O)CN BBL030729 [1,0,0,0,1,0|2,0,0]=4 47 B7R0.2 COC(=O)CC(C)=O BBL011420 [1,0,0,0,1,0|1,0,1]=4 48 B7R0.2 COC(=O)CC(C)C BBL011395 [1,0,0,0,1,0|0,0,0]=2 49 B7R0.5 C=C(C)C(=O)OCC BBL011403 [0,0,0,0,2,0|0,0,2]=4 50 B7R0.5 CCOC(=O)C(C)=O BBL027737 [0,0,0,0,2,0|1,0,1]=4 51 B7R0.5 CCOC(=O)C(F)F BBL027798 [0,0,0,0,2,0|2,0,0]=4 52 B7R0.5 CCOC(=O)[C@H](C)O BBL009712 [0,0,0,0,2,0|1,0,0]=3