0 B6R0.2 C(C(=O)O)C(=O)O A2Z00038640 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.2 CC(=C[N+](=O)[O-])C A2Z00094964 [0,0,0,0,0,0|2,0,0]=2 2 B6R0.2 CC(C)NC(C)C A2Z00095976 [0,0,0,0,0,0|2,0,2]=4 3 B6R0.2 C\C(=C\[N+](=O)[O-])\[O-] A2Z00050356 [0,0,0,0,0,0|3,0,0]=3 4 B5R0.1 CC(=O)CCN A2Z00069826 [1,0,0,0,0,0|1,0,2]=4 5 B5R0.1 CCCC(=O)O A2Z00093490 [1,0,0,0,0,0|1,0,2]=4 6 B5R0.1 CNCC(=O)O A2Z00095987 [1,0,0,0,0,0|2,0,1]=4 7 B5R0.1 COCC(=O)Cl A2Z00094312 [1,0,0,0,0,0|2,0,1]=4 8 B7R0.2 CC(=O)CC(=O)OC A2Z00093511 [0,1,0,0,0,0|1,0,1]=3 9 B7R0.2 CC(C)NC(=O)CCl A2Z00099276 [0,1,0,0,0,0|1,0,1]=3 10 B7R0.2 CC(CO)NC(=O)C A2Z00047992 [0,1,0,0,0,0|1,0,1]=3 11 B7R0.2 COC(=O)CC(=O)Cl A2Z00050191 [0,1,0,0,0,0|2,0,1]=4 12 B7R0.9 CC(C)(C)NC(=O)N A2Z00097411 [0,1,0,0,0,0|2,0,1]=4 13 B7R0.16 CC(C)C(=C)C(=O)O A2Z00049593 [0,1,0,0,0,0|1,0,1]=3 14 B7R1.2 C1C(=O)N=C(S1)N A2Z00096085 [0,0,0,1,0,0|3,0,0]=4 15 B7R1.2 C1C(=O)N=C(S1)O A2Z00096716 [0,0,0,1,0,0|3,0,0]=4 16 B7R1.2 C1C(=O)NC(=N)S1 A2Z00096693 [0,0,0,1,0,0|3,0,0]=4 17 B7R1.2 C1C(=O)NC(=O)S1 A2Z00014660 [0,0,0,1,0,0|3,0,0]=4 18 B7R1.2 C1CC(=O)OC1O A2Z00096558 [0,0,0,1,0,0|2,0,1]=4 19 B7R1.2 CC1=CC(=O)CC1 A2Z00096078 [0,0,0,1,0,0|0,0,0]=1 20 B7R1.2 CC1CNC(=O)O1 A2Z00096651 [0,0,0,1,0,0|2,0,1]=4 21 B7R1.2 Cc1cc([nH]n1)N A2Z00061676 [0,0,0,1,0,0|3,0,0]=4 22 B7R1.2 Cc1cc([nH]n1)O A2Z00096551 [0,0,0,1,0,0|2,0,1]=4 23 B7R1.2 Cc1cc(n[nH]1)N A2Z00050172 [0,0,0,1,0,0|3,0,0]=4 24 B7R1.2 Cc1cc(no1)N A2Z00085614 [0,0,0,1,0,0|2,0,1]=4 25 B7R1.2 Cc1cc(on1)N A2Z00095967 [0,0,0,1,0,0|2,0,1]=4 26 B7R1.2 Cc1cc(on1)[O-] A2Z00050433 [0,0,0,1,0,0|2,0,1]=4 27 B7R1.2 Cc1cc(sc1)Br A2Z00050301 [0,0,0,1,0,0|1,1,1]=4 28 B7R1.2 Cc1nnc(s1)C A2Z00095539 [0,0,0,1,0,0|3,0,0]=4 29 B5R0.5 CC(=O)N(C)N A2Z00094878 [0,0,0,0,1,0|2,0,0]=3 30 B5R0.5 CC(C(=O)C)Cl A2Z00093500 [0,0,0,0,1,0|1,0,1]=3 31 B5R0.5 CC(C(=O)N)Cl A2Z00098040 [0,0,0,0,1,0|2,0,1]=4 32 B5R0.5 CN(C)C(=O)Cl A2Z00096010 [0,0,0,0,1,0|2,0,0]=3 33 B7R0.6 CC(=O)\C=C\N(C)C A2Z00096534 [0,0,0,0,0,1|1,0,0]=2 34 B7R0.6 CC(C)COC(=O)Cl A2Z00093541 [0,0,0,0,0,1|1,0,2]=4 35 B7R0.6 CC(C)SCC(=O)O A2Z00055812 [0,0,0,0,0,1|1,0,2]=4 36 B7R0.6 CN(C)CCC(=O)O A2Z00094718 [0,0,0,0,0,1|2,0,1]=4 37 B7R0.6 CN(C)\C=C\C(=S)N A2Z00057018 [0,0,0,0,0,1|2,1,0]=4 38 B7R0.6 CN(C)\C=C\[N+](=O)[O-] A2Z00096569 [0,0,0,0,0,1|3,0,0]=4 39 B4R0.1 CC(=O)CO A2Z00094832 [2,0,0,0,0,0|1,0,1]=4 40 B4R0.1 CCC(=O)N A2Z00097941 [2,0,0,0,0,0|1,0,1]=4 41 B4R0.1 COC(=O)Cl A2Z00093492 [2,0,0,0,0,0|2,0,0]=4 42 B6R0.1 CCOC(=O)CBr A2Z00093566 [1,1,0,0,0,0|1,0,1]=4 43 B6R0.4 CC(=O)CCCCl A2Z00094593 [1,1,0,0,0,0|0,0,2]=4 44 B6R0.4 CC(=O)OCCBr A2Z00098196 [1,1,0,0,0,0|1,0,1]=4 45 B6R0.4 CC(=O)\C=C\OC A2Z00096533 [1,1,0,0,0,0|0,0,0]=2 46 B6R0.7 CC(C)(C(=O)N)Br A2Z00070347 [0,1,0,0,1,0|1,0,1]=4 47 B8R0.5 CC(C)NC(=O)CC#N A2Z00098320 [0,2,0,0,0,0|1,0,1]=4 48 B8R0.5 CC(C)NC(=O)CCBr A2Z00098002 [0,2,0,0,0,0|1,0,1]=4 49 B8R0.5 CCC\C(=C\C(=O)O)\C A2Z00049558 [0,2,0,0,0,0|1,0,0]=3 50 B8R0.16 CC(=O)CC(OC)OC A2Z00096091 [0,2,0,0,0,0|0,0,2]=4 51 B8R0.19 CCC(C)NC(=O)CCl A2Z00067385 [0,2,0,0,0,0|1,0,1]=4 52 B8R0.24 CC(C)(C)NC(=O)CCl A2Z00083442 [0,2,0,0,0,0|1,0,1]=4 53 B8R0.24 CC(C)(C)OC(=O)CBr A2Z00096128 [0,2,0,0,0,0|1,0,1]=4 54 B6R1.2 C1CC(=O)C=C1 A2Z00096072 [1,0,0,1,0,0|0,0,0]=2 55 B6R1.2 C1CC(=O)OC1 A2Z00038638 [1,0,0,1,0,0|1,0,1]=4 56 B6R1.2 C1CNCC1=O A2Z00050357 [1,0,0,1,0,0|1,0,1]=4 57 B8R1.51 CC1(CC(=O)OC1)C A2Z00096652 [0,0,0,1,0,1|0,0,2]=4 58 B8R1.51 CC1(CCC(=O)C1)C A2Z00096352 [0,0,0,1,0,1|0,0,2]=4 59 B8R1.1 c1c([nH][nH]c1=O)CN A2Z00096246 [0,1,0,1,0,0|2,0,0]=4 60 B8R1.4 C1CNC(=O)CC1=O A2Z00096248 [0,1,0,1,0,0|1,0,1]=4 61 B8R1.4 Cc1cc(ncn1)C A2Z00094992 [0,1,0,1,0,0|1,0,1]=4 62 B8R1.4 Cc1cc[nH]c(=O)c1 A2Z00069805 [0,1,0,1,0,0|0,0,2]=4 63 B8R1.18 CC1=NN(C(=O)C1)C A2Z00096083 [0,1,0,1,0,0|1,0,1]=4 64 B8R1.18 Cc1cc(n(n1)C)O A2Z00096295 [0,1,0,1,0,0|1,0,1]=4 65 B8R1.40 C1CC1NC(=O)CN A2Z00044968 [0,1,0,1,0,0|1,0,1]=4