0 B5R0.3 C(C(=O)C=O)O A2Z00050060 [0,0,0,0,0,0|0,0,2]=2 1 B5R0.3 CCN(CC)N A2Z00049169 [0,0,0,0,0,0|4,0,0]=4 2 B5R0.3 COC(=O)C#N A2Z00050483 [0,0,0,0,0,0|3,0,1]=4 3 B5R0.3 COC(=O)C=C A2Z00093487 [0,0,0,0,0,0|3,0,1]=4 4 B5R0.3 COC(=O)CI A2Z00098171 [0,0,0,0,0,0|3,0,0]=3 5 B4R0.1 C(C(=O)Cl)Cl A2Z00093506 [1,0,0,0,0,0|2,0,0]=3 6 B4R0.1 CC(=O)CO A2Z00094832 [1,0,0,0,0,0|0,0,0]=1 7 B4R0.1 CC(C)CBr A2Z00038648 [1,0,0,0,0,0|2,0,1]=4 8 B4R0.1 CCC(=O)N A2Z00097941 [1,0,0,0,0,0|2,0,0]=3 9 B4R0.1 COC(=O)Cl A2Z00093492 [1,0,0,0,0,0|3,0,0]=4 10 B4R0.1 C[C@@H](CO)N A2Z00045067 [1,0,0,0,0,0|1,0,1]=3 11 B4R0.2 C(CBr)CBr A2Z00093585 [1,0,0,0,0,0|2,0,1]=4 12 B4R0.2 C(CON)O A2Z00048270 [1,0,0,0,0,0|2,0,1]=4 13 B4R0.2 CCCCBr A2Z00093542 [1,0,0,0,0,0|2,0,1]=4 14 B4R0.2 CCCCN A2Z00093484 [1,0,0,0,0,0|2,0,1]=4 15 B6R0.1 CCN(C)CCO A2Z00049387 [0,1,0,0,0,0|3,0,0]=4 16 B6R0.1 CCOC(=O)C#N A2Z00096059 [0,1,0,0,0,0|2,0,1]=4 17 B6R0.1 CCOC(=O)CBr A2Z00093566 [0,1,0,0,0,0|2,0,0]=3 18 B6R0.1 CCOC(=O)NN A2Z00096080 [0,1,0,0,0,0|3,0,0]=4 19 B6R0.1 CNC(=O)CON A2Z00070422 [0,1,0,0,0,0|2,0,0]=3 20 B6R0.1 COC(=O)CCS A2Z00096087 [0,1,0,0,0,0|2,1,0]=4 21 B6R0.1 COC(=O)C[N+]#[C-] A2Z00096250 [0,1,0,0,0,0|3,0,0]=4 22 B6R0.3 C(C(=O)C(Cl)Cl)Cl A2Z00096114 [0,1,0,0,0,0|2,0,0]=3 23 B6R0.3 C(C(C(=O)O)N)O A2Z00096658 [0,1,0,0,0,0|1,0,2]=4 24 B6R0.3 CC(C(=O)NC)N A2Z00049855 [0,1,0,0,0,0|3,0,0]=4 25 B6R0.3 CC(C)C(=O)CO A2Z00049695 [0,1,0,0,0,0|1,0,0]=2 26 B6R0.8 CC(C)(CN)CO A2Z00097428 [0,1,0,0,0,0|2,0,1]=4 27 B6R1.2 C1CC(=O)C=C1 A2Z00096072 [0,0,0,1,0,0|2,0,1]=4 28 B6R1.2 C1CC(=O)OC1 A2Z00038638 [0,0,0,1,0,0|3,0,0]=4 29 B6R1.2 C1CNCC1=O A2Z00050357 [0,0,0,1,0,0|2,0,0]=3 30 B3R0.1 C#CCO A2Z00096413 [2,0,0,0,0,0|0,0,2]=4 31 B3R0.1 C(=N\O)/N A2Z00096515 [2,0,0,0,0,0|2,0,0]=4 32 B3R0.1 C(=O)NN A2Z00049575 [2,0,0,0,0,0|2,0,0]=4 33 B3R0.1 C(CS)N A2Z00095999 [2,0,0,0,0,0|1,1,0]=4 34 B3R0.1 C=CCBr A2Z00093514 [2,0,0,0,0,0|1,0,1]=4 35 B3R0.1 CCCBr A2Z00093521 [2,0,0,0,0,0|1,0,1]=4 36 B3R0.1 CCCN A2Z00093482 [2,0,0,0,0,0|1,0,1]=4 37 B3R0.2 CC(C)Br A2Z00093522 [2,0,0,0,0,0|1,0,1]=4 38 B3R0.2 CC(C)N A2Z00093481 [2,0,0,0,0,0|1,0,1]=4 39 B3R0.2 CN(C)N A2Z00049168 [2,0,0,0,0,0|2,0,0]=4 40 B5R0.1 C(C#N)C(=O)N A2Z00096074 [1,1,0,0,0,0|2,0,0]=4 41 B5R0.1 C(C#N)C(=O)O A2Z00093469 [1,1,0,0,0,0|1,0,0]=3 42 B5R0.1 C(CBr)C(=O)N A2Z00070352 [1,1,0,0,0,0|2,0,0]=4 43 B5R0.1 CC(=O)CCN A2Z00069826 [1,1,0,0,0,0|1,0,0]=3 44 B5R0.1 CCCC(=O)O A2Z00093490 [1,1,0,0,0,0|1,0,0]=3 45 B5R0.1 CNCC(=O)O A2Z00095987 [1,1,0,0,0,0|1,0,0]=3 46 B5R0.1 COCC(=O)Cl A2Z00094312 [1,1,0,0,0,0|1,0,0]=3 47 B5R0.4 CCS(=O)(=O)C A2Z00068674 [1,1,0,0,0,0|2,0,0]=4 48 B5R0.4 CS(=O)(=O)NO A2Z00094627 [1,1,0,0,0,0|2,0,0]=4 49 B5R0.5 CC(=O)N(C)N A2Z00094878 [1,1,0,0,0,0|2,0,0]=4 50 B5R0.5 CC(C(=O)C)Cl A2Z00093500 [1,1,0,0,0,0|1,0,0]=3 51 B5R0.5 CC(C(=O)N)Cl A2Z00098040 [1,1,0,0,0,0|2,0,0]=4 52 B7R0.2 CC(C)NC(=O)CCl A2Z00099276 [0,2,0,0,0,0|2,0,0]=4 53 B7R0.3 CC(CO)NCCO A2Z00049562 [0,2,0,0,0,0|1,0,1]=4 54 B7R0.3 CCCNC(=O)CCl A2Z00038430 [0,2,0,0,0,0|2,0,0]=4 55 B7R0.3 COCCC(=O)OC A2Z00094834 [0,2,0,0,0,0|2,0,0]=4 56 B7R0.5 CCOC(=O)C(C)Br A2Z00093565 [0,2,0,0,0,0|2,0,0]=4 57 B7R0.7 CCNC(=O)CC#N A2Z00038682 [0,2,0,0,0,0|2,0,0]=4 58 B7R0.7 CCNC(=O)OCC A2Z00095021 [0,2,0,0,0,0|2,0,0]=4 59 B7R0.7 CCOC(=O)C[N+]#[C-] A2Z00096279 [0,2,0,0,0,0|2,0,0]=4 60 B7R0.10 C(\C(=C(\CO)/Br)\Br)O A2Z00096644 [0,2,0,0,0,0|1,0,0]=3 61 B7R0.10 COC(=O)C(CO)N A2Z00085507 [0,2,0,0,0,0|2,0,0]=4 62 B7R0.18 C(C(CO)(CO)N)O A2Z00070220 [0,2,0,0,0,0|0,0,2]=4 63 B5R1.2 C1C(=O)CO1 A2Z00096164 [1,0,0,1,0,0|0,0,0]=2 64 B5R1.2 C1C(CO1)O A2Z00096297 [1,0,0,1,0,0|0,0,2]=4 65 B5R1.1 C1COC=C1 A2Z00050496 [1,0,0,1,0,0|1,0,1]=4 66 B7R1.2 C1C(=O)N=C(S1)O A2Z00096716 [0,1,0,1,0,0|0,1,1]=4 67 B7R1.2 C1CC(=O)OC1O A2Z00096558 [0,1,0,1,0,0|1,0,0]=3 68 B7R1.3 C1CC(=O)CNC1 A2Z00096272 [0,1,0,1,0,0|2,0,0]=4 69 B7R1.3 C1COCCC1=O A2Z00096060 [0,1,0,1,0,0|1,0,0]=3 70 B7R1.3 C1CSCCC1=O A2Z00050190 [0,1,0,1,0,0|1,1,0]=4