0 B5R0.3 C(C(=O)C=O)O A2Z00050060 [0,0,0,0,0,0|2,0,1]=3 1 B5R0.3 COC(=O)C#N A2Z00050483 [0,0,0,0,0,0|3,0,1]=4 2 B5R0.3 COC(=O)C=C A2Z00093487 [0,0,0,0,0,0|3,0,0]=3 3 B5R0.3 COC(=O)CI A2Z00098171 [0,0,0,0,0,0|3,0,1]=4 4 B4R0.1 C(C(=O)Cl)Cl A2Z00093506 [1,0,0,0,0,0|2,0,1]=4 5 B4R0.1 CC(=O)CO A2Z00094832 [1,0,0,0,0,0|1,0,1]=3 6 B4R0.1 CC(C)CBr A2Z00038648 [1,0,0,0,0,0|1,0,2]=4 7 B4R0.1 CCC(=O)N A2Z00097941 [1,0,0,0,0,0|1,0,1]=3 8 B4R0.1 COC(=O)Cl A2Z00093492 [1,0,0,0,0,0|2,0,0]=3 9 B6R0.1 CCC(C)N=C=O A2Z00046535 [0,1,0,0,0,0|0,0,3]=4 10 B6R0.3 COC(=O)C(=N)N A2Z00096235 [0,1,0,0,0,0|3,0,0]=4 11 B6R1.2 C1CC(=O)C=C1 A2Z00096072 [0,0,0,1,0,0|2,0,1]=4 12 B6R1.2 Cc1cscn1 A2Z00097343 [0,0,0,1,0,0|1,1,1]=4 13 B6R1.2 c1c(cn[nH]1)I A2Z00097488 [0,0,0,1,0,0|3,0,0]=4 14 B3R0.1 C(=O)NN A2Z00049575 [2,0,0,0,0,0|2,0,0]=4 15 B3R0.1 C=CCBr A2Z00093514 [2,0,0,0,0,0|1,0,1]=4 16 B3R0.2 CC(C)Br A2Z00093522 [2,0,0,0,0,0|1,0,1]=4 17 B3R0.2 CC(C)N A2Z00093481 [2,0,0,0,0,0|1,0,1]=4 18 B3R0.2 CN(C)N A2Z00049168 [2,0,0,0,0,0|2,0,0]=4 19 B5R0.1 C(CBr)C(=O)N A2Z00070352 [1,1,0,0,0,0|1,0,1]=4 20 B5R0.1 CC(=O)CCN A2Z00069826 [1,1,0,0,0,0|0,0,1]=3 21 B5R0.1 CCCC(=O)O A2Z00093490 [1,1,0,0,0,0|1,0,1]=4 22 B5R0.1 CNCC(=O)O A2Z00095987 [1,1,0,0,0,0|1,0,1]=4 23 B5R0.1 COCC(=O)Cl A2Z00094312 [1,1,0,0,0,0|1,0,1]=4 24 B5R0.4 CCS(=O)(=O)C A2Z00068674 [1,1,0,0,0,0|1,0,1]=4 25 B5R0.5 CC(=O)N(C)N A2Z00094878 [1,1,0,0,0,0|1,0,0]=3 26 B5R0.5 CC(C(=O)C)Cl A2Z00093500 [1,1,0,0,0,0|0,0,1]=3 27 B5R0.5 CC(C(=O)N)Cl A2Z00098040 [1,1,0,0,0,0|1,0,1]=4 28 B5R0.5 CN(C)C(=O)Cl A2Z00096010 [1,1,0,0,0,0|1,0,0]=3 29 B7R0.2 CC(=O)CC(=O)OC A2Z00093511 [0,2,0,0,0,0|2,0,0]=4 30 B7R0.2 COC(=O)CC(=O)Cl A2Z00050191 [0,2,0,0,0,0|2,0,0]=4 31 B7R0.3 COC(=O)CNC=O A2Z00096713 [0,2,0,0,0,0|2,0,0]=4 32 B7R0.15 CCN(CC)C(=O)Cl A2Z00096009 [0,2,0,0,0,0|1,0,1]=4 33 B7R0.16 CC(C)C(=C)C(=O)O A2Z00049593 [0,2,0,0,0,0|0,0,2]=4 34 B5R1.2 C1C(=O)CO1 A2Z00096164 [1,0,0,1,0,0|1,0,1]=4 35 B5R1.1 C1COC=C1 A2Z00050496 [1,0,0,1,0,0|0,0,2]=4 36 B7R1.1 c1cscc1C=O A2Z00050189 [0,1,0,1,0,0|0,0,2]=4 37 B7R1.2 C1C(=O)N=C(S1)N A2Z00096085 [0,1,0,1,0,0|2,0,0]=4 38 B7R1.2 C1C(=O)N=C(S1)O A2Z00096716 [0,1,0,1,0,0|2,0,0]=4 39 B7R1.2 C1C(=O)NC(=N)S1 A2Z00096693 [0,1,0,1,0,0|2,0,0]=4 40 B7R1.2 C1C(=O)NC(=O)S1 A2Z00014660 [0,1,0,1,0,0|2,0,0]=4 41 B7R1.2 CC1=CC(=O)CC1 A2Z00096078 [0,1,0,1,0,0|0,0,1]=3 42 B7R1.2 Cc1cc(sc1)Br A2Z00050301 [0,1,0,1,0,0|0,1,1]=4 43 B7R1.2 Cc1csc(n1)N A2Z00097948 [0,1,0,1,0,0|1,1,0]=4 44 B7R1.2 Cc1csc(n1)O A2Z00096157 [0,1,0,1,0,0|1,0,1]=4 45 B7R1.2 Cc1nnc(s1)C A2Z00095539 [0,1,0,1,0,0|2,0,0]=4 46 B7R1.2 Cn1cc(cn1)I A2Z00062223 [0,1,0,1,0,0|2,0,0]=4 47 B7R1.2 c1c([nH]c(=O)s1)O A2Z00096718 [0,1,0,1,0,0|2,0,0]=4 48 B7R1.4 Cc1c(scn1)C A2Z00097344 [0,1,0,1,0,0|0,1,0]=3