0 B6R0.5 CCCS(=O)(=O)Cl BBL027643 [0,0,0,0,0,0|2,0,0]=2 1 B6R0.5 NCCS(N)(=O)=O BBL030896 [0,0,0,0,0,0|1,0,0]=1 2 B6R0.5 O=C=NS(=O)(=O)Cl BBL027786 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.5 O=S(=O)([O-])CCS BBL033929 [0,0,0,0,0,0|1,0,1]=2 4 B5R0.1 CC(=O)CCO BBL028076 [1,0,0,0,0,0|3,0,0]=4 5 B5R0.1 CC(O)CCO BBL037424 [1,0,0,0,0,0|3,0,0]=4 6 B5R0.1 CCCC(=O)Cl BBL011417 [1,0,0,0,0,0|3,0,0]=4 7 B5R0.1 CCCC(C)O BBL011460 [1,0,0,0,0,0|3,0,0]=4 8 B5R0.1 CCC[N+](=O)[O-] BBL011437 [1,0,0,0,0,0|2,0,1]=4 9 B5R0.1 CNCC(=O)O BBL009707 [1,0,0,0,0,0|3,0,0]=4 10 B5R0.1 NC(=O)CCCl BBL011453 [1,0,0,0,0,0|3,0,0]=4 11 B5R0.1 NCCC(=O)O BBL037332 [1,0,0,0,0,0|1,0,0]=2 12 B5R0.1 O=C(Cl)CCBr BBL011521 [1,0,0,0,0,0|3,0,0]=4 13 B5R0.1 O=C(O)CCCl BBL012215 [1,0,0,0,0,0|2,0,0]=3 14 B5R0.4 NCS(=O)(=O)O BBL027684 [1,0,0,0,0,0|0,0,0]=1 15 B5R0.4 NOS(=O)(=O)O BBL011058 [1,0,0,0,0,0|1,0,0]=2 16 B7R0.8 O=S(=O)(Cl)CCCCl BBL027644 [0,1,0,0,0,0|2,0,0]=3 17 B7R1.14 O=S1(=O)C=CCC1 BBL012811 [0,0,0,1,0,0|2,0,0]=3 18 B7R1.14 O=S1(=O)CCCO1 BBL036695 [0,0,0,1,0,0|1,0,0]=2 19 B7R1.14 O=[SH+]1(=[O-])CCCC1 BBL033862 [0,0,0,1,0,0|2,0,1]=4 20 B4R0.1 CC(O)CN BBL027685 [2,0,0,0,0,0|2,0,0]=4 21 B4R0.1 CCC(C)O BBL011463 [2,0,0,0,0,0|2,0,0]=4 22 B4R0.1 O=C(O)CCl BBL037260 [2,0,0,0,0,0|2,0,0]=4 23 B4R0.2 CCCCN BBL027788 [2,0,0,0,0,0|2,0,0]=4 24 B4R0.2 CNCCN BBL027689 [2,0,0,0,0,0|2,0,0]=4 25 B4R0.2 NCCCBr BBL010090 [2,0,0,0,0,0|2,0,0]=4 26 B4R0.2 NCCCCl BBL009705 [2,0,0,0,0,0|2,0,0]=4 27 B4R0.2 NCCCN BBL027701 [2,0,0,0,0,0|2,0,0]=4 28 B4R0.2 NNCCO BBL027648 [2,0,0,0,0,0|2,0,0]=4 29 B4R0.2 OCCCBr BBL027416 [2,0,0,0,0,0|2,0,0]=4 30 B4R0.3 NS(N)(=O)=O BBL019229 [2,0,0,0,0,0|1,0,0]=3 31 B6R0.1 COC(=O)CCBr BBL027291 [1,1,0,0,0,0|2,0,0]=4 32 B6R0.1 COC(=O)CCN BBL010085 [1,1,0,0,0,0|1,0,0]=3 33 B6R0.2 CC(C)CC(=O)O BBL027399 [1,1,0,0,0,0|2,0,0]=4 34 B6R0.2 CC(O)CC(=O)O BBL027467 [1,1,0,0,0,0|2,0,0]=4 35 B6R0.3 CCC(Br)C(=O)O BBL011564 [1,1,0,0,0,0|2,0,0]=4 36 B6R0.3 CCC(N)C(=O)O BBL012213 [1,1,0,0,0,0|2,0,0]=4 37 B6R0.3 NC(CO)C(=O)O BBL012102 [1,1,0,0,0,0|2,0,0]=4 38 B6R0.3 NC(CS)C(=O)O BBL012104 [1,1,0,0,0,0|2,0,0]=4 39 B6R0.4 C=CCCC(=O)O BBL027458 [1,1,0,0,0,0|2,0,0]=4 40 B6R0.4 CC(=O)NCCN BBL027688 [1,1,0,0,0,0|2,0,0]=4 41 B6R0.4 CNCCC(N)=O BBL023425 [1,1,0,0,0,0|2,0,0]=4 42 B6R0.4 NCCCC(=O)O BBL008590 [1,1,0,0,0,0|1,0,0]=3 43 B6R0.7 CC(C)S(=O)(=O)Cl BBL027642 [1,1,0,0,0,0|1,0,0]=3 44 B6R0.7 CN(C)S(=O)(=O)Cl BBL027640 [1,1,0,0,0,0|2,0,0]=4 45 B6R0.8 COS(=O)(=O)OC BBL034656 [1,1,0,0,0,0|1,0,0]=3 46 B8R0.12 CN(C)S(=O)(=O)CCN BBL031232 [0,2,0,0,0,0|1,0,0]=3 47 B8R1.51 NC1C=CS(=O)(=O)C1 BBL036806 [0,1,0,1,0,0|1,0,0]=3 48 B8R1.51 NC1CCS(=O)(=O)C1 BBL012872 [0,1,0,1,0,0|1,0,0]=3 49 B8R1.51 O=S1(=O)C=CC(Cl)C1 BBL010053 [0,1,0,1,0,0|2,0,0]=4 50 B8R1.51 O=S1(=O)CCC(O)C1 BBL028289 [0,1,0,1,0,0|2,0,0]=4 51 B8R1.19 O=S1(=O)CCC=C1Br BBL028290 [0,1,0,1,0,0|2,0,0]=4 52 B8R1.19 O=S1(=O)CCC=C1Cl BBL029857 [0,1,0,1,0,0|2,0,0]=4