0 B16R2.2256 c1ccc(cc1)COCc2ccccc2 CHEBI:87411 [0,0,0,0,0,0|2,0,0]=2 1 B17R2.2342 c1ccc(cc1)C(=O)COc2ccccc2 CHEBI:52401 [0,1,0,0,0,0|2,0,1]=4 2 B17R2.2342 c1ccc(cc1)CCC(=O)c2ccccc2 CHEBI:71231 [0,1,0,0,0,0|1,0,1]=3 3 B17R2.2342 c1ccc(cc1)COC(=O)c2ccccc2 CHEBI:41237 [0,1,0,0,0,0|2,0,1]=4 4 B17R3.1927 c1ccc(cc1)C2C(O2)c3ccccc3 CHEBI:50006 [0,0,0,1,0,0|2,0,0]=3 5 B17R3.1927 c1ccc(cc1)[C@@H]2[C@@H](O2)c3ccccc3 CHEBI:50004 [0,0,0,1,0,0|2,0,0]=3 6 B17R3.1927 c1ccc(cc1)[C@@H]2[C@H](O2)c3ccccc3 CHEBI:50008 [0,0,0,1,0,0|2,0,0]=3 7 B17R3.1927 c1ccc(cc1)[C@H]2[C@@H](O2)c3ccccc3 CHEBI:50009 [0,0,0,1,0,0|2,0,0]=3 8 B15R2.2195 c1ccc(cc1)C#Cc2ccccc2 CHEBI:51579 [0,0,0,0,1,0|1,0,2]=4 9 B15R2.2195 c1ccc(cc1)CCc2ccccc2 CHEBI:34047 [0,0,0,0,1,0|1,0,0]=2 10 B15R2.2195 c1ccc(cc1)\C=C/c2ccccc2 CHEBI:36008 [0,0,0,0,1,0|1,0,2]=4 11 B15R2.2195 c1ccc(cc1)\C=C\c2ccccc2 CHEBI:26775 [0,0,0,0,1,0|1,0,2]=4 12 B15R2.2195 c1ccc(cc1)\C=C\c2ccccc2 CHEBI:36007 [0,0,0,0,1,0|1,0,2]=4 13 B15R2.2195 c1ccc(cc1)\N=N/c2ccccc2 CHEBI:58997 [0,0,0,0,1,0|3,0,0]=4 14 B15R2.2195 c1ccc(cc1)\N=N\c2ccccc2 CHEBI:190358 [0,0,0,0,1,0|3,0,0]=4 15 B15R2.2195 c1ccc(cc1)\N=N\c2ccccc2 CHEBI:58996 [0,0,0,0,1,0|3,0,0]=4 16 B17R2.2382 c1ccc(cc1)CCNCc2ccccc2 CHEBI:52148 [0,0,0,0,0,1|1,0,0]=2 17 B17R2.2382 c1ccc(cc1)CC[NH2+]Cc2ccccc2 CHEBI:52149 [0,0,0,0,0,1|1,0,0]=2 18 B17R2.2382 c1ccc(cc1)CSSCc2ccccc2 CHEBI:72752 [0,0,0,0,0,1|2,0,0]=3 19 B16R2.88 CC(Cc1ccccc1)c2ccccc2 CHEBI:87382 [0,1,0,0,1,0|1,0,0]=3 20 B16R2.132 c1ccc(cc1)COc2ccc(cc2)O CHEBI:34380 [0,1,0,0,1,0|2,0,0]=4 21 B16R2.252 Cc1cccc(n1)C#Cc2ccccc2 CHEBI:64158 [0,1,0,0,1,0|0,0,2]=4 22 B16R2.252 Cc1cccc(n1)C#Cc2ccccc2 CHEBI:64159 [0,1,0,0,1,0|0,0,2]=4 23 B18R2.274 c1cc(ccc1COCc2ccc(cc2)O)O CHEBI:65501 [0,2,0,0,0,0|2,0,0]=4 24 B18R2.274 c1cc(ccc1CSCc2ccc(cc2)O)O CHEBI:65500 [0,2,0,0,0,0|2,0,0]=4 25 B18R3.2108 c1ccc(cc1)C2CCOc3c2cccc3 CHEBI:36099 [0,0,0,1,0,1|1,0,0]=3 26 B18R3.2123 c1ccc(cc1)C2CCc3ccccc3O2 CHEBI:38691 [0,1,0,1,0,0|1,0,0]=3 27 B18R3.2123 c1ccc(cc1)C2Cc3ccccc3OC2 CHEBI:38740 [0,1,0,1,0,0|2,0,0]=4 28 B18R3.2123 c1ccc(cc1)[C@@H]2CCc3ccccc3O2 CHEBI:36103 [0,1,0,1,0,0|1,0,0]=3 29 B18R3.2123 c1ccc(cc1)[C@@H]2Cc3ccccc3OC2 CHEBI:36100 [0,1,0,1,0,0|2,0,0]=4 30 B18R3.2123 c1ccc(cc1)[C@H]2CCc3ccccc3O2 CHEBI:36102 [0,1,0,1,0,0|1,0,0]=3 31 B18R3.2123 c1ccc(cc1)[C@H]2Cc3ccccc3OC2 CHEBI:36101 [0,1,0,1,0,0|2,0,0]=4 32 B18R4.13257 c1ccc2c(c1)-c3ccccc3C4C2O4 CHEBI:25957 [0,0,0,2,0,0|2,0,0]=4 33 B18R4.13257 c1ccc2c(c1)-c3ccccc3[C@H]4[C@@H]2O4 CHEBI:27950 [0,0,0,2,0,0|2,0,0]=4 34 B14R2.6 c1ccc(cc1)Cc2ccccc2 CHEBI:38884 [0,0,0,0,2,0|1,0,0]=3 35 B14R2.6 c1ccc(cc1)Nc2ccccc2 CHEBI:4640 [0,0,0,0,2,0|2,0,0]=4 36 B14R2.6 c1ccc(cc1)Oc2ccccc2 CHEBI:39258 [0,0,0,0,2,0|2,0,0]=4 37 B14R2.6 c1ccc(cc1)Sc2ccccc2 CHEBI:38959 [0,0,0,0,2,0|2,0,0]=4 38 B14R2.6 c1ccc(cc1)[SnH2]c2ccccc2 CHEBI:23838 [0,0,0,0,2,0|2,0,0]=4 39 B14R2.6 c1ccc(cc1)[Zn]c2ccccc2 CHEBI:51499 [0,0,0,0,2,0|2,0,0]=4