0 B5R0.1 C(C#N)C(=O)N A2Z00096074 [0,0,0,0,0,0|3,0,1]=4 1 B5R0.1 C(C#N)C(=O)O A2Z00093469 [0,0,0,0,0,0|3,0,1]=4 2 B5R0.1 C(CBr)C(=O)N A2Z00070352 [0,0,0,0,0,0|3,0,1]=4 3 B5R0.1 CC(=O)CCN A2Z00069826 [0,0,0,0,0,0|2,0,1]=3 4 B5R0.1 CCCC(=O)O A2Z00093490 [0,0,0,0,0,0|2,0,2]=4 5 B5R0.1 CNCC(=O)O A2Z00095987 [0,0,0,0,0,0|3,0,1]=4 6 B5R0.1 COCC(=O)Cl A2Z00094312 [0,0,0,0,0,0|3,0,1]=4 7 B4R0.1 C(C(=O)Cl)Cl A2Z00093506 [1,0,0,0,0,0|2,0,1]=4 8 B4R0.1 CC(=O)CO A2Z00094832 [1,0,0,0,0,0|1,0,1]=3 9 B4R0.1 CCC(=O)N A2Z00097941 [1,0,0,0,0,0|1,0,2]=4 10 B4R0.1 COC(=O)Cl A2Z00093492 [1,0,0,0,0,0|1,0,1]=3 11 B6R0.1 CCOC(=O)C#N A2Z00096059 [0,1,0,0,0,0|0,0,3]=4 12 B6R0.1 CCOC(=O)CBr A2Z00093566 [0,1,0,0,0,0|0,0,2]=3 13 B6R0.1 CCOC(=O)NN A2Z00096080 [0,1,0,0,0,0|1,0,2]=4 14 B6R0.1 CNC(=O)CON A2Z00070422 [0,1,0,0,0,0|3,0,0]=4 15 B6R0.1 COC(=O)CCS A2Z00096087 [0,1,0,0,0,0|2,0,1]=4 16 B6R0.1 COC(=O)C[N+]#[C-] A2Z00096250 [0,1,0,0,0,0|2,0,1]=4 17 B6R0.2 C(C(=O)O)C(=O)O A2Z00038640 [0,1,0,0,0,0|3,0,0]=4 18 B6R0.4 C=CCOC(=O)Cl A2Z00093512 [0,1,0,0,0,0|1,0,0]=2 19 B6R0.4 CC(=O)CCCCl A2Z00094593 [0,1,0,0,0,0|1,0,2]=4 20 B6R0.4 CC(=O)OCC#C A2Z00096305 [0,1,0,0,0,0|0,0,2]=3 21 B6R0.4 CC(=O)OCCBr A2Z00098196 [0,1,0,0,0,0|0,0,2]=3 22 B6R0.4 CC(=O)\C=C\OC A2Z00096533 [0,1,0,0,0,0|1,0,1]=3 23 B6R0.5 CS(=O)(=O)CC=C A2Z00069959 [0,1,0,0,0,0|2,0,0]=3 24 B6R1.2 C1CC(=O)C=C1 A2Z00096072 [0,0,0,1,0,0|1,0,1]=3 25 B6R1.2 C1CC(=O)OC1 A2Z00038638 [0,0,0,1,0,0|0,0,2]=3 26 B6R1.2 C1CNCC1=O A2Z00050357 [0,0,0,1,0,0|2,0,1]=4 27 B6R1.2 C1COC(=O)N1 A2Z00096076 [0,0,0,1,0,0|1,0,2]=4 28 B6R1.2 Cc1cscn1 A2Z00097343 [0,0,0,1,0,0|3,0,0]=4 29 B6R1.2 c1cnc([nH]1)Cl A2Z00096586 [0,0,0,1,0,0|3,0,0]=4 30 B3R0.1 C(=O)NN A2Z00049575 [2,0,0,0,0,0|2,0,0]=4 31 B3R0.1 C=CCBr A2Z00093514 [2,0,0,0,0,0|1,0,1]=4 32 B5R0.3 C(C(=O)C=O)O A2Z00050060 [1,1,0,0,0,0|1,0,0]=3 33 B5R0.3 COC(=O)C#N A2Z00050483 [1,1,0,0,0,0|0,0,2]=4 34 B5R0.3 COC(=O)C=C A2Z00093487 [1,1,0,0,0,0|0,0,0]=2 35 B5R0.3 COC(=O)CI A2Z00098171 [1,1,0,0,0,0|0,0,1]=3 36 B5R0.5 CC(=O)N(C)N A2Z00094878 [1,1,0,0,0,0|1,0,1]=4 37 B5R0.5 CC(C(=O)C)Cl A2Z00093500 [1,1,0,0,0,0|0,0,2]=4 38 B5R0.2 CCNCC=C A2Z00070010 [1,1,0,0,0,0|1,0,1]=4 39 B7R0.2 CC(=O)CC(=O)OC A2Z00093511 [0,2,0,0,0,0|1,0,1]=4 40 B7R0.2 COC(=O)CC(=O)Cl A2Z00050191 [0,2,0,0,0,0|2,0,0]=4 41 B7R0.3 COC(=O)CNC=O A2Z00096713 [0,2,0,0,0,0|2,0,0]=4 42 B7R0.5 CCOC(=O)C(C)Br A2Z00093565 [0,2,0,0,0,0|0,0,2]=4 43 B7R0.7 CCNC(=O)OCC A2Z00095021 [0,2,0,0,0,0|0,0,2]=4 44 B7R0.7 CCOC(=O)C[N+]#[C-] A2Z00096279 [0,2,0,0,0,0|0,0,2]=4 45 B7R0.4 C=CCSCC(=O)O A2Z00097871 [0,2,0,0,0,0|1,1,0]=4 46 B7R0.6 CC(=O)\C=C\N(C)C A2Z00096534 [0,2,0,0,0,0|1,0,1]=4 47 B5R1.2 C1C(=O)CO1 A2Z00096164 [1,0,0,1,0,0|1,0,1]=4 48 B5R1.1 C1COC=C1 A2Z00050496 [1,0,0,1,0,0|0,0,1]=3 49 B7R1.1 c1cc([nH]c1)CN A2Z00061420 [0,1,0,1,0,0|2,0,0]=4 50 B7R1.1 c1cnoc1CO A2Z00096001 [0,1,0,1,0,0|2,0,0]=4 51 B7R1.1 c1csc(n1)CN A2Z00061547 [0,1,0,1,0,0|1,1,0]=4 52 B7R1.2 C1C(=O)N=C(S1)N A2Z00096085 [0,1,0,1,0,0|2,0,0]=4 53 B7R1.2 C1C(=O)N=C(S1)O A2Z00096716 [0,1,0,1,0,0|2,0,0]=4 54 B7R1.2 C1C(=O)NC(=N)S1 A2Z00096693 [0,1,0,1,0,0|2,0,0]=4 55 B7R1.2 C1C(=O)NC(=O)S1 A2Z00014660 [0,1,0,1,0,0|2,0,0]=4 56 B7R1.2 C1CC(=O)OC1O A2Z00096558 [0,1,0,1,0,0|0,0,2]=4 57 B7R1.2 CC1=CC(=O)CC1 A2Z00096078 [0,1,0,1,0,0|1,0,1]=4 58 B7R1.2 CC1CNC(=O)O1 A2Z00096651 [0,1,0,1,0,0|0,0,2]=4 59 B7R1.2 Cc1cc(no1)N A2Z00085614 [0,1,0,1,0,0|2,0,0]=4 60 B7R1.2 Cc1cc(on1)N A2Z00095967 [0,1,0,1,0,0|2,0,0]=4 61 B7R1.2 Cc1cc(on1)[O-] A2Z00050433 [0,1,0,1,0,0|2,0,0]=4 62 B7R1.2 c1c([nH]c(=O)s1)O A2Z00096718 [0,1,0,1,0,0|1,1,0]=4 63 B7R1.3 C1C(=O)NC=CS1 A2Z00069307 [0,1,0,1,0,0|1,0,0]=3 64 B7R1.3 C1CC=CC(=O)C1 A2Z00096058 [0,1,0,1,0,0|1,0,1]=4 65 B7R1.3 c1cc[nH]c(=O)c1 A2Z00070061 [0,1,0,1,0,0|1,0,1]=4 66 B7R1.4 Cn1ccnc1N A2Z00070348 [0,1,0,1,0,0|2,0,0]=4