0 B3R0.2 CC(=O)N Z33546370 [0,0,0,0,0,0|3,0,1]=4 1 B3R0.2 CC(=O)O Z1954803614 [0,0,0,0,0,0|2,0,1]=3 2 B3R0.2 CC(=O)[S-] Z1142554016 [0,0,0,0,0,0|2,1,1]=4 3 B3R0.2 NC(=O)N Z104473900 [0,0,0,0,0,0|3,0,1]=4 4 B2R0.1 CNC Z57834054 [1,0,0,0,0,0|2,1,0]=4 5 B2R0.1 Cl[Pt]Cl Z3182781436 [1,0,0,0,0,0|3,0,0]=4 6 B4R0.1 C#CC(=O)O Z104493798 [0,1,0,0,0,0|2,0,1]=4 7 B4R0.1 C#CC(C)O Z1251193370 [0,1,0,0,0,0|3,0,0]=4 8 B4R0.1 C=C(Br)CO Z600440434 [0,1,0,0,0,0|3,0,0]=4 9 B4R0.1 C=CC(=O)O Z57127944 [0,1,0,0,0,0|2,0,1]=4 10 B4R0.1 CC(=O)NO Z59181917 [0,1,0,0,0,0|2,0,1]=4 11 B4R0.1 CC(C)NO Z1198161074 [0,1,0,0,0,0|3,0,0]=4 12 B4R0.1 CC(O)CN Z104477092 [0,1,0,0,0,0|3,0,0]=4 13 B4R0.1 CC(O)CO Z106938868 [0,1,0,0,0,0|2,0,0]=3 14 B4R0.1 CCC(=O)O Z104474154 [0,1,0,0,0,0|2,0,1]=4 15 B4R0.1 CC[C@@H](C)O Z1203162396 [0,1,0,0,0,0|3,0,0]=4 16 B4R0.1 COC(=N)N Z1741976783 [0,1,0,0,0,0|3,0,0]=4 17 B4R0.1 COC(=O)N Z104476722 [0,1,0,0,0,0|2,0,1]=4 18 B4R0.1 C[C@@H](N)CO Z346076140 [0,1,0,0,0,0|3,0,0]=4 19 B4R0.1 C[C@@H](O)CO Z1255486379 [0,1,0,0,0,0|2,0,0]=3 20 B4R0.1 C[C@H](O)CN Z1203577967 [0,1,0,0,0,0|3,0,0]=4 21 B4R0.1 C[C@H](O)CO Z1255449993 [0,1,0,0,0,0|2,0,0]=3 22 B4R0.1 N=C(N)CO Z1259341033 [0,1,0,0,0,0|3,0,0]=4 23 B4R0.1 NC(=O)CO Z424788508 [0,1,0,0,0,0|2,0,1]=4 24 B4R0.1 NC(=O)NO Z1203577934 [0,1,0,0,0,0|2,0,1]=4 25 B4R0.1 NCC(=O)O Z955123660 [0,1,0,0,0,0|2,0,1]=4 26 B4R0.1 O=C(O)CBr Z104473018 [0,1,0,0,0,0|2,0,1]=4 27 B4R0.1 O=C(O)CO Z104473274 [0,1,0,0,0,0|1,0,1]=3 28 B4R0.1 OCC(F)F Z397587054 [0,1,0,0,0,0|3,0,0]=4 29 B4R0.3 CS(=O)(=O)O Z281776238 [0,1,0,0,0,0|1,0,2]=4 30 B4R0.3 O=P(O)(O)F Z1255360409 [0,1,0,0,0,0|0,1,1]=3 31 B3R0.1 C=CCO Z104473976 [1,1,0,0,0,0|2,0,0]=4 32 B3R0.1 N/C=N/O Z156964716 [1,1,0,0,0,0|1,1,0]=4 33 B3R0.1 NCCO Z104473700 [1,1,0,0,0,0|2,0,0]=4 34 B3R0.1 OCCS Z104473584 [1,1,0,0,0,0|1,1,0]=4 35 B5R0.1 CC(O)CCO Z104473530 [0,2,0,0,0,0|2,0,0]=4 36 B5R0.1 COCC(=O)O Z104477404 [0,2,0,0,0,0|1,0,1]=4 37 B5R0.1 COCC(C)O Z825742124 [0,2,0,0,0,0|2,0,0]=4 38 B5R0.1 NOCC(=O)O Z90662171 [0,2,0,0,0,0|1,0,1]=4 39 B5R0.1 O=C(O)CNO Z1205493750 [0,2,0,0,0,0|1,0,1]=4 40 B5R0.3 CCC(O)CO Z600450538 [0,2,0,0,0,0|2,0,0]=4 41 B5R0.3 COC(C)CO Z1198150719 [0,2,0,0,0,0|2,0,0]=4 42 B5R0.3 NC(CO)CO Z1203577940 [0,2,0,0,0,0|2,0,0]=4 43 B5R0.3 O=C(CO)CO Z1255442144 [0,2,0,0,0,0|1,0,1]=4 44 B5R0.3 OCC(O)CO Z104473548 [0,2,0,0,0,0|1,0,0]=3 45 B5R0.3 OCC(O)CS Z1255382958 [0,2,0,0,0,0|1,1,0]=4 46 B5R0.4 CC(C)(O)CO Z600454414 [0,2,0,0,0,0|2,0,0]=4 47 B5R0.5 CC(O)C(C)O Z104473532 [0,2,0,0,0,0|2,0,0]=4 48 B5R0.5 O=C(O)C(=O)O Z1741978903 [0,2,0,0,0,0|1,0,1]=4 49 B5R1.2 OC1COC1 Z1123686553 [0,1,0,1,0,0|2,0,0]=4 50 B5R1.3 OCC1CO1 Z104476180 [0,1,0,1,0,0|2,0,0]=4 51 B5R1.3 OC[C@@H]1CO1 Z1222330631 [0,1,0,1,0,0|2,0,0]=4 52 B5R1.3 OC[C@H]1CO1 Z1222330633 [0,1,0,1,0,0|2,0,0]=4