0 B12R0.47 C/C=C/C=C/C(=O)NCCCCC WXVL_AK0076SB0348 [0,1,0,0,0,0|2,0,0]=3 1 B12R0.47 C/C=C/C=C/C(=O)NCCCCC WXVL_AK0076SB0348 [0,1,0,0,0,0|2,0,0]=3 2 B12R0.47 C/C=C/C=C/C(=O)NCCCCO WXVL_AK0075SB0348 [0,1,0,0,0,0|3,0,0]=4 3 B12R0.47 C/C=C/C=C/C(=O)NCCCCO WXVL_AK0075SB0348 [0,1,0,0,0,0|3,0,0]=4 4 B12R0.47 C/C=C/C=C/C(=O)NCCCOC WXVL_AK00637SB0348 [0,1,0,0,0,0|3,0,0]=4 5 B12R0.47 C/C=C/C=C/C(=O)NCCCOC WXVL_AK00637SB0348 [0,1,0,0,0,0|3,0,0]=4 6 B12R0.47 C/C=C/C=C/C(=O)NCCCSC WXVL_AK0965SB0348 [0,1,0,0,0,0|3,0,0]=4 7 B12R0.47 C/C=C/C=C/C(=O)NCCCSC WXVL_AK0965SB0348 [0,1,0,0,0,0|3,0,0]=4 8 B12R0.47 C/C=C/C=C/C(=O)NCCSCC WXVL_AK00494SB0348 [0,1,0,0,0,0|3,0,0]=4 9 B12R0.47 C/C=C/C=C/C(=O)NCCSCC WXVL_AK00494SB0348 [0,1,0,0,0,0|3,0,0]=4 10 B12R0.206 CCCCCCNC(=O)/C=C/CBr WXVL_AK0286SB0424 [0,1,0,0,0,0|2,0,1]=4 11 B12R0.206 CCCCCCNC(=O)/C=C/CBr WXVL_AK0286SB0424 [0,1,0,0,0,0|2,0,1]=4 12 B12R1.8 CCCCCNc1ccncn1 WXVL_AK0076LP3358 [0,0,0,1,0,0|3,0,0]=4 13 B12R1.8 CCCCCNc1ccncn1 WXVL_AK0076LP3358 [0,0,0,1,0,0|3,0,0]=4 14 B12R1.8 CCCCCNc1ncccn1 WXVL_AK0076LP0002 [0,0,0,1,0,0|3,0,0]=4 15 B12R1.8 CCCCCNc1ncccn1 WXVL_AK0076LP0002 [0,0,0,1,0,0|3,0,0]=4 16 B11R0.4 C/C=C/C(=O)NCCCCCC WXVL_AK0286SB0340 [1,1,0,0,0,0|1,0,1]=4 17 B11R0.4 C/C=C/C(=O)NCCCCCC WXVL_AK0286SB0340 [1,1,0,0,0,0|1,0,1]=4 18 B11R0.4 C=CCC(=O)NCCCCCC WXVL_AK0286SB2732 [1,1,0,0,0,0|1,0,1]=4 19 B11R0.4 C=CCC(=O)NCCCCCC WXVL_AK0286SB2732 [1,1,0,0,0,0|1,0,1]=4 20 B11R0.140 C/C=C/C=C/C(=O)NCCCC WXVL_AK00588SB0348 [1,1,0,0,0,0|2,0,0]=4 21 B11R0.140 C/C=C/C=C/C(=O)NCCCC WXVL_AK00588SB0348 [1,1,0,0,0,0|2,0,0]=4 22 B13R0.338 C/C=C/C=C/C(=O)NCCCCCC WXVL_AK0286SB0348 [0,2,0,0,0,0|1,0,0]=3 23 B13R0.338 C/C=C/C=C/C(=O)NCCCCCC WXVL_AK0286SB0348 [0,2,0,0,0,0|1,0,0]=3 24 B13R0.338 C/C=C/C=C/C(=O)NCCCCCO WXVL_AK0077SB0348 [0,2,0,0,0,0|2,0,0]=4 25 B13R0.338 C/C=C/C=C/C(=O)NCCCCCO WXVL_AK0077SB0348 [0,2,0,0,0,0|2,0,0]=4 26 B13R0.338 C/C=C/C=C/C(=O)NCCCOCC WXVL_AK0072SB0348 [0,2,0,0,0,0|2,0,0]=4 27 B13R0.338 C/C=C/C=C/C(=O)NCCCOCC WXVL_AK0072SB0348 [0,2,0,0,0,0|2,0,0]=4 28 B13R1.28 CCCCCCNc1ccncn1 WXVL_AK0286LP3358 [0,1,0,1,0,0|2,0,0]=4 29 B13R1.28 CCCCCCNc1ccncn1 WXVL_AK0286LP3358 [0,1,0,1,0,0|2,0,0]=4 30 B13R1.28 CCCCCCNc1ncccn1 WXVL_AK0286LP0002 [0,1,0,1,0,0|2,0,0]=4 31 B13R1.28 CCCCCCNc1ncccn1 WXVL_AK0286LP0002 [0,1,0,1,0,0|2,0,0]=4 32 B13R1.48 CCCCCNC(=O)c1ccco1 WXVL_AK0076SC0049 [0,1,0,1,0,0|1,0,1]=4 33 B13R1.48 CCCCCNC(=O)c1ccco1 WXVL_AK0076SC0049 [0,1,0,1,0,0|1,0,1]=4 34 B13R1.48 CCCCCNC(=O)c1cccs1 WXVL_AK0076SC0051 [0,1,0,1,0,0|1,1,0]=4 35 B13R1.48 CCCCCNC(=O)c1cccs1 WXVL_AK0076SC0051 [0,1,0,1,0,0|1,1,0]=4 36 B13R1.725 C/C=C/C=C/C(=O)N1CCC[C@H]1C WXVL_AN00593SB0348 [0,1,0,1,0,0|2,0,0]=4 37 B13R1.728 C/C=C/C=C/C(=O)NCC1CCC1 WXVL_AK00492SB0348 [0,1,0,1,0,0|2,0,0]=4 38 B13R1.728 C/C=C/C=C/C(=O)NCC1CCC1 WXVL_AK00492SB0348 [0,1,0,1,0,0|2,0,0]=4 39 B13R1.729 C/C=C/C=C/C(=O)NCCC1CC1 WXVL_AK00594SB0348 [0,1,0,1,0,0|2,0,0]=4 40 B13R1.729 C/C=C/C=C/C(=O)NCCC1CC1 WXVL_AK00594SB0348 [0,1,0,1,0,0|2,0,0]=4 41 B13R2.18 CC1=C(CCCC1)c2cccs2 WXVL_LR0498BT5146 [0,0,0,2,0,0|0,1,1]=4 42 B13R2.18 CC1CCCC=C1c2cccs2 WXVL_LR0498BT7593 [0,0,0,2,0,0|0,1,1]=4