0 B3R0.2 CC(=O)O CS-W019776 [0,0,0,0,0,0|0,0,0]=0 1 B3R0.2 CC(=O)[O-] CS-0082496 [0,0,0,0,0,0|0,0,1]=1 2 B3R0.2 CC(=O)[O-] CS-0084525 [0,0,0,0,0,0|0,0,1]=1 3 B3R0.2 CC(=O)[O-] CS-W002072 [0,0,0,0,0,0|0,0,1]=1 4 B3R0.2 CC(=O)[O-] CS-W004700 [0,0,0,0,0,0|0,0,1]=1 5 B3R0.2 CC(=O)[O-] CS-W020594 [0,0,0,0,0,0|0,0,1]=1 6 B3R0.2 Cl[Ir](Cl)Cl CS-0035280 [0,0,0,0,0,0|4,0,0]=4 7 B3R0.2 Cl[Rh](Cl)Cl CS-W018992 [0,0,0,0,0,0|4,0,0]=4 8 B3R0.2 Cl[Ru](Cl)Cl CS-0020053 [0,0,0,0,0,0|4,0,0]=4 9 B3R0.2 Cl[Ru](Cl)Cl CS-W020395 [0,0,0,0,0,0|4,0,0]=4 10 B3R0.2 N=C(N)Cl CS-0099930 [0,0,0,0,0,0|3,0,0]=3 11 B3R0.2 O=C([O-])[O-] CS-B1715 [0,0,0,0,0,0|1,0,1]=2 12 B3R0.2 O=C([O-])[O-] CS-W008901 [0,0,0,0,0,0|1,0,1]=2 13 B3R0.2 [ZrH](C)(C)Cl CS-W020093 [0,0,0,0,0,0|3,0,0]=3 14 B2R0.1 Br[Ni]Br CS-0085631 [1,0,0,0,0,0|3,0,0]=4 15 B2R0.1 CON CS-W020192 [1,0,0,0,0,0|2,0,0]=3 16 B2R0.1 O=[Zr]=O CS-0111468 [1,0,0,0,0,0|1,0,1]=3 17 B4R0.1 CC(=O)NN CS-D1403 [0,1,0,0,0,0|1,0,0]=2 18 B4R0.1 CC(N)CO CS-W018531 [0,1,0,0,0,0|1,0,1]=3 19 B4R0.1 CC(O)CBr CS-0063182 [0,1,0,0,0,0|1,0,1]=3 20 B4R0.1 CCC(=N)O CS-W016688 [0,1,0,0,0,0|1,0,0]=2 21 B4R0.1 CC[C@H](C)N CS-0084847 [0,1,0,0,0,0|2,0,1]=4 22 B4R0.1 COC(=N)N CS-W019574 [0,1,0,0,0,0|2,0,0]=3 23 B4R0.1 CSC(=N)N CS-0011749 [0,1,0,0,0,0|2,0,0]=3 24 B4R0.1 NCC(N)=O CS-W019695 [0,1,0,0,0,0|1,0,0]=2 25 B4R0.1 NNC(N)=S CS-0008325 [0,1,0,0,0,0|2,1,0]=4 26 B4R0.3 CS(=O)(=O)[O-] CS-0084592 [0,1,0,0,0,0|1,0,1]=3 27 B4R0.3 CS(C)(=O)=O CS-0017786 [0,1,0,0,0,0|1,0,1]=3 28 B4R0.3 CS(N)(=O)=O CS-W020062 [0,1,0,0,0,0|1,0,1]=3 29 B4R0.3 C[N+](C)(C)C CS-W013670 [0,1,0,0,0,0|3,0,0]=4 30 B4R0.3 C[S+](C)(C)=O CS-W018549 [0,1,0,0,0,0|2,0,0]=3 31 B1R0.1 [Cu]Br CS-0031756 [2,0,0,0,0,0|2,0,0]=4 32 B1R0.1 [Na]I CS-0013799 [2,0,0,0,0,0|2,0,0]=4 33 B3R0.1 CCCN CS-0079898 [1,1,0,0,0,0|1,0,1]=4 34 B3R0.1 N#CCI CS-W016050 [1,1,0,0,0,0|1,0,1]=4 35 B3R0.1 N#CCN CS-W013739 [1,1,0,0,0,0|1,0,1]=4 36 B3R0.1 NCCCl CS-W013617 [1,1,0,0,0,0|1,0,1]=4 37 B3R0.1 NCCF CS-W007788 [1,1,0,0,0,0|1,0,1]=4 38 B5R0.1 CC(=O)CCO CS-0044370 [0,2,0,0,0,0|0,0,0]=2 39 B5R0.1 CC(=O)\C=N\O CS-0047592 [0,2,0,0,0,0|0,0,0]=2 40 B5R0.1 CC(N)CCO CS-W004841 [0,2,0,0,0,0|1,0,1]=4 41 B5R0.1 CCOC(C)=N CS-W008601 [0,2,0,0,0,0|1,0,0]=3 42 B5R0.1 CNCC(=N)O CS-W011178 [0,2,0,0,0,0|1,0,0]=3 43 B5R0.1 COC[C@@H](C)O CS-0019059 [0,2,0,0,0,0|0,0,2]=4 44 B5R0.1 N#CCC(N)=O CS-0006665 [0,2,0,0,0,0|1,0,0]=3 45 B5R0.3 C=C(CCl)CCl CS-W011177 [0,2,0,0,0,0|2,0,0]=4 46 B5R0.3 C=C(CO)CO CS-W009247 [0,2,0,0,0,0|1,0,0]=3 47 B5R0.3 CC[C@@H](N)CO CS-W020734 [0,2,0,0,0,0|1,0,1]=4 48 B5R0.3 CC[C@H](N)CO CS-W013745 [0,2,0,0,0,0|1,0,1]=4 49 B5R0.3 CNC(=O)CBr CS-0023001 [0,2,0,0,0,0|1,0,0]=3 50 B5R0.3 CNC(=O)CCl CS-W007769 [0,2,0,0,0,0|1,0,0]=3 51 B5R0.3 CNC(=S)NN CS-W013678 [0,2,0,0,0,0|1,1,0]=4 52 B5R0.3 COC(=O)CN CS-W018508 [0,2,0,0,0,0|0,0,0]=2 53 B5R0.3 COC(=O)NN CS-0015902 [0,2,0,0,0,0|1,0,0]=3 54 B5R0.3 NC(CO)CO CS-W007357 [0,2,0,0,0,0|1,0,1]=4 55 B5R0.4 CC(C)(N)CO CS-W013743 [0,2,0,0,0,0|1,0,1]=4 56 B5R0.4 CC(C)(O)CN CS-W008799 [0,2,0,0,0,0|1,0,1]=4 57 B5R0.4 CNS(C)(=O)=O CS-W008054 [0,2,0,0,0,0|1,0,1]=4 58 B5R0.4 COS(C)(=O)=O CS-W004702 [0,2,0,0,0,0|1,0,0]=3 59 B5R0.5 CC(C)C(N)=O CS-W019979 [0,2,0,0,0,0|1,0,0]=3 60 B5R0.5 CC(N)C(=O)O CS-0022544 [0,2,0,0,0,0|0,0,0]=2 61 B5R0.5 C[C@@H](O)C(N)=O CS-W016674 [0,2,0,0,0,0|0,0,1]=3 62 B5R0.5 NC(=O)C(F)F CS-0109914 [0,2,0,0,0,0|1,0,0]=3 63 B5R0.5 O=C([O-])C(=O)[O-] CS-W022571 [0,2,0,0,0,0|0,0,2]=4 64 B5R1.3 ClC[C@@H]1CO1 CS-0015935 [0,1,0,1,0,0|1,0,1]=4