0 B4R0.1 C#CC(=O)O MC428031 [0,0,0,0,0,0|3,0,1]=4 1 B4R0.1 C=CC(N)=O MC41857 [0,0,0,0,0,0|4,0,0]=4 2 B4R0.1 CC(=O)CBr MC20986 [0,0,0,0,0,0|4,0,0]=4 3 B4R0.1 CC(=O)CN CS10921 [0,0,0,0,0,0|4,0,0]=4 4 B4R0.1 CC(=O)CO CS11467 [0,0,0,0,0,0|3,0,1]=4 5 B4R0.1 CC(=O)NN CS10881 [0,0,0,0,0,0|3,1,0]=4 6 B4R0.1 CC(=O)NO CS14961 [0,0,0,0,0,0|2,1,1]=4 7 B4R0.1 CCC(N)=O CS11886 [0,0,0,0,0,0|4,0,0]=4 8 B4R0.1 CNC(N)=O MC10792 [0,0,0,0,0,0|3,1,0]=4 9 B4R0.1 COC(N)=O CS11667 [0,0,0,0,0,0|4,0,0]=4 10 B4R0.1 NC(=O)CBr CS21389 [0,0,0,0,0,0|4,0,0]=4 11 B4R0.1 NCC(=O)O CS19951 [0,0,0,0,0,0|3,0,1]=4 12 B4R0.1 NCC(=O)[O-] CS10910 [0,0,0,0,0,0|3,0,1]=4 13 B4R0.1 NCC(=O)[O-] MC20522 [0,0,0,0,0,0|3,0,1]=4 14 B4R0.1 NCC(N)=O CS13806 [0,0,0,0,0,0|4,0,0]=4 15 B4R0.1 NCC(N)=O MC437712 [0,0,0,0,0,0|4,0,0]=4 16 B4R0.1 NCS(=O)[O-] MC105927 [0,0,0,0,0,0|3,0,1]=4 17 B4R0.1 NNC(N)=O CS11949 [0,0,0,0,0,0|3,1,0]=4 18 B4R0.1 O=C(Cl)CBr MC21000 [0,0,0,0,0,0|4,0,0]=4 19 B4R0.1 O=C(O)CCl MC41871 [0,0,0,0,0,0|3,0,1]=4 20 B4R0.1 O=C(O)CO CS19334 [0,0,0,0,0,0|2,0,2]=4 21 B4R0.1 O=C([O-])CCl MC41872 [0,0,0,0,0,0|3,0,1]=4 22 B4R0.1 O=S([O-])CO CS11936 [0,0,0,0,0,0|2,0,2]=4 23 B3R0.2 CC(=O)Cl MC40433 [1,0,0,0,0,0|3,0,0]=4 24 B3R0.2 CC(=O)O CS19761 [1,0,0,0,0,0|2,0,1]=4 25 B3R0.2 CC(=O)[O-] CS11168 [1,0,0,0,0,0|2,0,1]=4 26 B3R0.2 CC(=O)[O-] CS11832 [1,0,0,0,0,0|2,0,1]=4 27 B3R0.2 CC(=O)[O-] MC41921 [1,0,0,0,0,0|2,0,1]=4 28 B3R0.2 CC(N)=O MC40849 [1,0,0,0,0,0|2,1,0]=4 29 B3R0.2 CS(=O)[O-] MC434050 [1,0,0,0,0,0|2,0,1]=4 30 B3R0.2 C[N+](=O)[O-] MC41935 [1,0,0,0,0,0|1,1,1]=4 31 B3R0.2 C[PH](C)=O MC21075 [1,0,0,0,0,0|2,1,0]=4 32 B3R0.2 O=C([O-])[O-] CS11119 [1,0,0,0,0,0|1,0,2]=4 33 B3R0.2 O=S([O-])O MC445110 [1,0,0,0,0,0|1,0,2]=4 34 B3R0.2 O=S([O-])O MC445111 [1,0,0,0,0,0|1,0,2]=4 35 B3R0.2 O=[N+]([O-])[O-] MC115181 [1,0,0,0,0,0|0,1,2]=4 36 B3R0.2 O=[PH](O)O MC34534 [1,0,0,0,0,0|0,1,2]=4 37 B3R0.2 O=[Sn]([O-])[O-] MC21161 [1,0,0,0,0,0|1,0,2]=4 38 B5R0.3 O=CC(=O)CO MC427604 [0,1,0,0,0,0|2,0,1]=4 39 B5R0.3 O=CC(Br)C=O CS18151 [0,1,0,0,0,0|3,0,0]=4 40 B5R0.4 CCS(=O)(=O)Cl MC32069 [0,1,0,0,0,0|3,0,0]=4 41 B5R0.4 CCS(=O)(=O)F MC32070 [0,1,0,0,0,0|3,0,0]=4 42 B5R0.4 CCS(=O)(=O)O MC32071 [0,1,0,0,0,0|3,0,0]=4 43 B5R0.4 CCS(=O)(=O)[O-] MC32072 [0,1,0,0,0,0|3,0,0]=4 44 B5R0.4 CCS(N)(=O)=O CS11311 [0,1,0,0,0,0|3,0,0]=4 45 B5R0.4 CNS(C)(=O)=O CS17859 [0,1,0,0,0,0|2,1,0]=4 46 B5R0.4 CNS(N)(=O)=O MC33445 [0,1,0,0,0,0|2,1,0]=4 47 B5R0.4 COS(C)(=O)=O MC445529 [0,1,0,0,0,0|3,0,0]=4 48 B5R0.4 CS(=O)(=O)NN MC106833 [0,1,0,0,0,0|2,1,0]=4 49 B5R0.4 O=S(=O)([O-])O[O-] MC428310 [0,1,0,0,0,0|2,0,1]=4 50 B5R0.5 CC(=O)C(=O)O MC41939 [0,1,0,0,0,0|2,0,1]=4 51 B5R0.5 NC(=O)C(N)=O MC20822 [0,1,0,0,0,0|3,0,0]=4 52 B5R0.5 O=C(O)C(=O)O CS11387 [0,1,0,0,0,0|2,0,1]=4 53 B5R0.5 O=C(O)C(=O)O MC425345 [0,1,0,0,0,0|2,0,1]=4 54 B5R0.5 O=C([O-])C(=O)[O-] MC114602 [0,1,0,0,0,0|2,0,1]=4 55 B2R0.1 O=[PH2][O-] MC20648 [2,0,0,0,0,0|0,1,1]=4 56 B2R0.1 O=[Pt]=O CS10895 [2,0,0,0,0,0|1,0,0]=3 57 B4R0.3 CS(=O)(=O)O MC40426 [1,1,0,0,0,0|1,0,1]=4 58 B4R0.3 CS(=O)(=O)O MC40428 [1,1,0,0,0,0|1,0,1]=4 59 B4R0.3 CS(N)(=O)=O CS19901 [1,1,0,0,0,0|1,1,0]=4 60 B4R0.3 NS(N)(=O)=O CS15922 [1,1,0,0,0,0|1,1,0]=4 61 B4R0.3 O=I(=O)(=O)O MC20542 [1,1,0,0,0,0|1,0,0]=3 62 B4R0.3 O=I(=O)(=O)[O-] MC428382 [1,1,0,0,0,0|1,0,0]=3 63 B4R0.3 O=S(=O)(O)O CS11689 [1,1,0,0,0,0|1,0,1]=4 64 B4R0.3 O=S(=O)(O)O MC40998 [1,1,0,0,0,0|1,0,1]=4 65 B6R0.5 CS(=O)(=O)N=C=O MC121373 [0,2,0,0,0,0|1,1,0]=4 66 B6R0.7 O=S([O-])S(=O)(=O)[O-] MC41941 [0,2,0,0,0,0|2,0,0]=4