0 B5R0.4 CCS(=O)(=O)Cl MC32069 [0,0,0,0,0,0|2,0,0]=2 1 B5R0.4 CCS(=O)(=O)F MC32070 [0,0,0,0,0,0|2,0,0]=2 2 B5R0.4 CCS(=O)(=O)O MC32071 [0,0,0,0,0,0|1,0,0]=1 3 B5R0.4 CCS(=O)(=O)[O-] MC32072 [0,0,0,0,0,0|1,0,1]=2 4 B5R0.4 CCS(N)(=O)=O CS11311 [0,0,0,0,0,0|2,0,0]=2 5 B5R0.4 CNS(C)(=O)=O CS17859 [0,0,0,0,0,0|2,0,0]=2 6 B5R0.4 CNS(N)(=O)=O MC33445 [0,0,0,0,0,0|2,0,0]=2 7 B5R0.4 COS(C)(=O)=O MC445529 [0,0,0,0,0,0|1,0,0]=1 8 B5R0.4 CS(=O)(=O)NN MC106833 [0,0,0,0,0,0|3,0,0]=3 9 B5R0.4 O=S(=O)([O-])O[O-] MC428310 [0,0,0,0,0,0|1,0,1]=2 10 B4R0.1 C#CC(=O)O MC428031 [1,0,0,0,0,0|2,0,1]=4 11 B4R0.1 CCB(O)O CS13979 [1,0,0,0,0,0|2,0,1]=4 12 B4R0.1 CCC(C)O MC10786 [1,0,0,0,0,0|3,0,0]=4 13 B4R0.1 CCC(N)=O CS11886 [1,0,0,0,0,0|3,0,0]=4 14 B4R0.1 CNC(N)=O MC10792 [1,0,0,0,0,0|3,0,0]=4 15 B4R0.1 COC(N)=O CS11667 [1,0,0,0,0,0|2,0,0]=3 16 B4R0.1 COC(N)=[NH2+] CS11820 [1,0,0,0,0,0|3,0,0]=4 17 B4R0.1 NCC(=O)O CS19951 [1,0,0,0,0,0|3,0,0]=4 18 B4R0.1 O=C(O)CCl MC41871 [1,0,0,0,0,0|3,0,0]=4 19 B4R0.1 O=C(O)CO CS19334 [1,0,0,0,0,0|3,0,0]=4 20 B4R0.3 CP(=O)(Cl)Cl MC444881 [1,0,0,0,0,0|3,0,0]=4 21 B4R0.3 CS(=O)(=O)O MC40426 [1,0,0,0,0,0|0,0,0]=1 22 B4R0.3 CS(=O)(=O)O MC40428 [1,0,0,0,0,0|0,0,0]=1 23 B4R0.3 CS(N)(=O)=O CS19901 [1,0,0,0,0,0|1,0,0]=2 24 B4R0.3 C[S+](C)(C)=O CS12054 [1,0,0,0,0,0|2,0,1]=4 25 B4R0.3 NS(N)(=O)=O CS15922 [1,0,0,0,0,0|2,0,0]=3 26 B4R0.3 O=I(=O)(=O)O MC20542 [1,0,0,0,0,0|1,0,1]=3 27 B4R0.3 O=I(=O)(=O)[O-] MC428382 [1,0,0,0,0,0|1,0,2]=4 28 B4R0.3 O=S(=O)(O)O CS11689 [1,0,0,0,0,0|0,0,0]=1 29 B4R0.3 O=S(=O)(O)O MC40998 [1,0,0,0,0,0|0,0,0]=1 30 B6R0.5 CCCS(=O)(=O)Cl MC20992 [0,1,0,0,0,0|2,0,0]=3 31 B6R0.5 CCCS(=O)(=O)O MC32073 [0,1,0,0,0,0|1,0,0]=2 32 B6R0.5 CCCS(=O)(=O)[O-] MC32074 [0,1,0,0,0,0|1,0,1]=3 33 B6R0.5 CCCS(N)(=O)=O MC32075 [0,1,0,0,0,0|2,0,0]=3 34 B6R0.5 CCOS(C)(=O)=O MC445528 [0,1,0,0,0,0|1,0,0]=2 35 B6R0.5 CNCP(=O)(O)O MC101885 [0,1,0,0,0,0|2,0,1]=4 36 B6R0.5 CS(=O)(=O)CC#N MC434049 [0,1,0,0,0,0|2,0,1]=4 37 B6R0.5 CS(=O)(=O)CCN CS21301 [0,1,0,0,0,0|2,0,0]=3 38 B6R0.5 CS(=O)(=O)N=C=O MC121373 [0,1,0,0,0,0|2,0,1]=4 39 B6R0.5 O=S(=O)(Cl)OCCl MC20939 [0,1,0,0,0,0|1,0,0]=2 40 B6R0.7 CC(C)S(=O)(=O)Cl MC33026 [0,1,0,0,0,0|2,0,0]=3 41 B6R0.7 CC(C)S(N)(=O)=O CS15962 [0,1,0,0,0,0|2,0,0]=3 42 B6R0.7 CN(C)S(=O)(=O)Cl MC42253 [0,1,0,0,0,0|2,0,0]=3 43 B6R0.7 CN(C)S(N)(=O)=O CS11736 [0,1,0,0,0,0|2,0,0]=3 44 B6R0.7 NS(=O)(=O)C(F)F MC113595 [0,1,0,0,0,0|3,0,0]=4 45 B6R0.7 O=S([O-])S(=O)(=O)[O-] MC41941 [0,1,0,0,0,0|1,1,1]=4 46 B6R0.8 COS(=O)(=O)OC MC41901 [0,1,0,0,0,0|0,0,0]=1 47 B3R0.1 CNOC CS13986 [2,0,0,0,0,0|2,0,0]=4 48 B3R0.1 COCCl MC41874 [2,0,0,0,0,0|2,0,0]=4 49 B3R0.2 CC(=O)Cl MC40433 [2,0,0,0,0,0|2,0,0]=4 50 B3R0.2 CC(=O)O CS19761 [2,0,0,0,0,0|1,0,0]=3 51 B3R0.2 CC(=O)[O-] CS11168 [2,0,0,0,0,0|1,0,1]=4 52 B3R0.2 CC(=O)[O-] CS11832 [2,0,0,0,0,0|1,0,1]=4 53 B3R0.2 CC(=O)[O-] MC41921 [2,0,0,0,0,0|1,0,1]=4 54 B3R0.2 CC(N)=O MC40849 [2,0,0,0,0,0|2,0,0]=4 55 B3R0.2 CC(O)=S MC434055 [2,0,0,0,0,0|1,1,0]=4 56 B3R0.2 CS(=O)[O-] MC434050 [2,0,0,0,0,0|0,0,2]=4 57 B3R0.2 C[N+](=O)[O-] MC41935 [2,0,0,0,0,0|1,0,1]=4 58 B3R0.2 C[PH](C)=O MC21075 [2,0,0,0,0,0|2,0,0]=4 59 B3R0.2 O=S([O-])O MC445110 [2,0,0,0,0,0|0,0,2]=4 60 B3R0.2 O=S([O-])O MC445111 [2,0,0,0,0,0|0,0,2]=4 61 B3R0.2 O=[PH](O)O MC34534 [2,0,0,0,0,0|1,0,0]=3 62 B5R0.1 CC#CC(=O)O MC20776 [1,1,0,0,0,0|2,0,0]=4 63 B5R0.1 CNCC(=O)O CS18595 [1,1,0,0,0,0|2,0,0]=4 64 B5R0.1 COCC(=O)Cl MC40491 [1,1,0,0,0,0|2,0,0]=4 65 B5R0.1 COCC(=O)O CS11579 [1,1,0,0,0,0|1,0,0]=3 66 B5R0.1 COCC(C)O CS20249 [1,1,0,0,0,0|2,0,0]=4 67 B5R0.1 COCC(C)O CS20309 [1,1,0,0,0,0|2,0,0]=4 68 B5R0.1 COCC(C)O CS20741 [1,1,0,0,0,0|2,0,0]=4 69 B5R0.1 COCC(N)=O MC41924 [1,1,0,0,0,0|2,0,0]=4 70 B5R0.1 C\C=C\C(=O)O MC41882 [1,1,0,0,0,0|2,0,0]=4 71 B5R0.1 NCCC(=O)O CS13499 [1,1,0,0,0,0|2,0,0]=4 72 B5R0.1 O=C(O)CCO MC20638 [1,1,0,0,0,0|2,0,0]=4 73 B5R0.3 COC(=O)CN CS15045 [1,1,0,0,0,0|2,0,0]=4 74 B5R0.3 COC(=O)CO CS19433 [1,1,0,0,0,0|1,0,0]=3 75 B5R0.3 COC(=O)CS MC20578 [1,1,0,0,0,0|1,1,0]=4 76 B5R0.3 COC(=O)NN MC20825 [1,1,0,0,0,0|2,0,0]=4 77 B5R0.3 COC(C)CO CS12306 [1,1,0,0,0,0|2,0,0]=4 78 B5R0.5 CC(=O)C(=O)O MC41939 [1,1,0,0,0,0|2,0,0]=4 79 B5R0.5 CC(Br)C(=O)O MC20444 [1,1,0,0,0,0|2,0,0]=4 80 B5R0.5 CC(Cl)C(=O)O MC20315 [1,1,0,0,0,0|2,0,0]=4 81 B5R0.5 CC(Cl)C(=O)O MC436860 [1,1,0,0,0,0|2,0,0]=4 82 B5R0.5 CC(F)C(=O)O MC429445 [1,1,0,0,0,0|2,0,0]=4 83 B5R0.5 CC(N)C(=O)O CS18992 [1,1,0,0,0,0|2,0,0]=4 84 B5R0.5 CC(N)C(=O)O CS19143 [1,1,0,0,0,0|2,0,0]=4 85 B5R0.5 CC(N)C(=O)O MC428047 [1,1,0,0,0,0|2,0,0]=4 86 B5R0.5 CC(O)C(=O)O MC437817 [1,1,0,0,0,0|2,0,0]=4 87 B7R0.8 CCCCS(=O)(=O)Cl MC32076 [0,2,0,0,0,0|2,0,0]=4 88 B7R0.8 CCCCS(=O)(=O)F MC32077 [0,2,0,0,0,0|2,0,0]=4 89 B7R0.8 CCCCS(=O)(=O)O MC32078 [0,2,0,0,0,0|1,0,0]=3 90 B7R0.8 CCCCS(=O)(=O)[O-] MC32079 [0,2,0,0,0,0|1,0,1]=4 91 B7R0.8 CCCCS(N)(=O)=O MC32080 [0,2,0,0,0,0|2,0,0]=4 92 B7R0.8 CS(=O)(=O)NCCI MC115998 [0,2,0,0,0,0|2,0,0]=4 93 B7R0.8 NCCCS(=O)(=O)O MC20858 [0,2,0,0,0,0|1,0,0]=3 94 B7R0.8 O=S(=O)(Cl)CCCCl MC40372 [0,2,0,0,0,0|2,0,0]=4 95 B7R0.9 CC(C)CS(=O)(=O)Cl MC33117 [0,2,0,0,0,0|2,0,0]=4 96 B7R0.9 CC(C)OS(C)(=O)=O MC445527 [0,2,0,0,0,0|1,0,0]=3 97 B7R0.13 C=CS(=O)(=O)N(C)C CS12264 [0,2,0,0,0,0|2,0,0]=4 98 B7R0.17 CC(C)(C)S(N)(=O)=O CS22547 [0,2,0,0,0,0|2,0,0]=4 99 B7R0.17 O=S(=O)(O)C(F)(F)F MC32001 [0,2,0,0,0,0|2,0,0]=4 100 B7R0.18 COP(=O)(OC)OC MC10190 [0,2,0,0,0,0|1,0,1]=4 101 B7R1.14 O=S1(=O)C=CCO1 CS13255 [0,1,0,1,0,0|1,0,0]=3 102 B7R1.14 O=S1(=O)CCC=N1 MC103630 [0,1,0,1,0,0|2,0,0]=4 103 B7R1.16 O=S1(=O)CC(Br)C1 MC114298 [0,1,0,1,0,0|2,0,0]=4 104 B7R1.16 O=S1(=O)CC(Cl)C1 MC100035 [0,1,0,1,0,0|2,0,0]=4 105 B7R1.16 O=S1(=O)CC(O)C1 CS17454 [0,1,0,1,0,0|2,0,0]=4 106 B7R1.26 NS(=O)(=O)C1CC1 CS13753 [0,1,0,1,0,0|2,0,0]=4 107 B7R1.26 NS(=O)(=O)N1CC1 MC111129 [0,1,0,1,0,0|2,0,0]=4