0 B13R2.183 c1coc(c1)CNc2nccs2 1P00KNCD [0,0,0,0,0,0|3,1,0]=4 1 B13R2.183 c1coc(c1)CSc2nccs2 1P0025I4 [0,0,0,0,0,0|2,1,0]=3 2 B13R2.183 c1csc(c1)C#Cc2cccs2 1P00BIRH [0,0,0,0,0,0|2,0,0]=2 3 B13R2.183 c1csc(c1)SSc2cccs2 1P003IEN [0,0,0,0,0,0|0,0,0]=0 4 B13R2.183 c1nsc(c1)SSc2ccns2 1P01E2M9 [0,0,0,0,0,0|2,0,0]=2 5 B14R2.252 Nc1nnc(s1)SCc2cccs2 1P00G4B2 [0,1,0,0,0,0|3,0,0]=4 6 B14R2.252 Sc1nnc(s1)SCc2cccs2 1P019OPU [0,1,0,0,0,0|3,0,0]=4 7 B14R2.793 O=C(c1cccs1)Cc2cccs2 1P019MT0 [0,1,0,0,0,0|2,0,0]=3 8 B12R2.98 C1=CC=C(C1)[Ti+2]C2=CC=CC2 1P00HS3Q [0,0,0,0,1,0|3,0,0]=4 9 B12R2.98 C1=CC=C(C1)[Zr+2]C2=CC=CC2 1P0034ZP [0,0,0,0,1,0|3,0,0]=4 10 B12R2.98 c1ccc([nH]1)Cc2ccc[nH]2 1P00BFQJ [0,0,0,0,1,0|3,0,0]=4 11 B12R2.98 c1ccn(c1)Cc2cccs2 1P01BEQI [0,0,0,0,1,0|3,0,0]=4 12 B12R2.98 c1coc(c1)Cc2ccco2 1P000PYK [0,0,0,0,1,0|1,2,0]=4 13 B12R2.98 c1csc(c1)Cc2c[nH]cn2 1P01BCX4 [0,0,0,0,1,0|3,0,0]=4 14 B12R2.98 c1csc(c1)Cc2cccs2 1P00DC37 [0,0,0,0,1,0|1,0,0]=2 15 B14R2.101 c1ccc(cc1)C=Cc2cccs2 1P00D0H6 [0,0,0,0,0,1|3,0,0]=4 16 B14R2.101 c1ccc(cc1)NCc2cccs2 1P00VTWH [0,0,0,0,0,1|3,0,0]=4 17 B14R2.101 c1ccc(nc1)NCc2cccs2 1P001CDK [0,0,0,0,0,1|3,0,0]=4 18 B14R2.322 N(Cc1cccs1)Cc2cccs2 1P00EDQH [0,0,0,0,0,1|2,0,0]=3 19 B14R2.322 S(Cc1ccco1)Cc2ccco2 1P0012TJ [0,0,0,0,0,1|1,2,0]=4 20 B14R2.322 c1coc(c1)CNCc2cccs2 1P00GW01 [0,0,0,0,0,1|2,1,0]=4 21 B14R2.322 c1coc(c1)CNCc2cccs2 1P00J1L0 [0,0,0,0,0,1|2,1,0]=4 22 B13R2.142 Clc1nsc(n1)Sc2cccs2 1P01F0PG [0,1,0,0,1,0|2,0,0]=4 23 B13R2.142 Nc1ncc(s1)Cc2cccs2 1P028JWL [0,1,0,0,1,0|2,0,0]=4 24 B13R2.674 NC(c1cccs1)c2cccs2 1P01AKA6 [0,1,0,0,1,0|1,0,0]=3 25 B13R2.674 O=C(c1cccs1)c2cccs2 1P003OPN [0,1,0,0,1,0|1,0,0]=3 26 B15R2.3989 O=C(c1cccs1)\C=C\c2cccs2 1P01FNEW [0,1,0,0,0,1|2,0,0]=4 27 B15R2.4461 O=C(C(=O)c1cccs1)c2cccs2 1P003FTA [0,2,0,0,0,0|2,0,0]=4 28 B15R2.4461 O=C(C(c1cccs1)O)c2cccs2 1P002V5H [0,2,0,0,0,0|2,0,0]=4 29 B13R2.64 c1ccc(cc1)Sc2cccs2 1P001XNE [0,0,1,1,0,0|2,0,0]=4 30 B11R2.2 C1=CSC(=C2SC=CS2)S1 1P003V84 [0,0,0,0,2,0|2,0,0]=4 31 B11R2.2 [nH]1ccc(n1)c2cccs2 1P002CJ6 [0,0,0,0,2,0|2,0,0]=4 32 B11R2.2 c1ccc([nH]1)c2ccc[nH]2 1P0003JL [0,0,0,0,2,0|2,0,0]=4 33 B11R2.2 c1coc(c1)c2ccco2 1P00ELX9 [0,0,0,0,2,0|0,2,0]=4 34 B11R2.2 c1csc(c1)c2[nH]ncc2 1P00BISP [0,0,0,0,2,0|2,0,0]=4 35 B11R2.2 c1csc(c1)c2cccs2 1P003FQR [0,0,0,0,2,0|0,0,0]=2 36 B11R2.2 c1csc(c1)c2ncc[nH]2 1P0080PO [0,0,0,0,2,0|2,0,0]=4 37 B11R2.2 c1csc(n1)c2nccs2 1P024WQN [0,0,0,0,2,0|2,0,0]=4 38 B11R2.2 n1csc(c1)c2scnc2 1P02934R [0,0,0,0,2,0|2,0,0]=4 39 B15R2.2195 c1ccc(cc1)SSc2ccccc2 1P0035XM [0,0,0,0,0,2|2,0,0]=4 40 B15R2.2195 c1ccc(cn1)SSc2cccnc2 1P00BIMF [0,0,0,0,0,2|2,0,0]=4 41 B15R2.2195 c1ccc(nc1)SSc2ccccn2 1P003BK0 [0,0,0,0,0,2|2,0,0]=4 42 B15R2.2195 c1cnc(nc1)SSc2ncccn2 1P001PQ6 [0,0,0,0,0,2|2,0,0]=4 43 B15R2.2195 n1ccc(cc1)SSc2ccncc2 1P002TQG [0,0,0,0,0,2|2,0,0]=4 44 B15R2.2194 C(=Cc1cccs1)C=Cc2cccs2 1P002NF1 [0,0,0,0,0,2|2,0,0]=4 45 B15R2.2194 N(Cc1cccs1)CCc2cccs2 1P004M6H [0,0,0,0,0,2|2,0,0]=4 46 B15R2.2194 S(Cc1ccco1)SCc2ccco2 1P0072EX [0,0,0,0,0,2|0,2,0]=4