0 B7R0.6 CC(=O)CCC(C)=O H64912 [0,0,0,0,0,0|4,0,0]=4 1 B7R0.6 CC(=O)CNC(C)=O X41261 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.6 CC(=O)NN=C(C)C A66607 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.6 CC(=O)NNC(N)=S A39876 [0,0,0,0,0,0|1,1,2]=4 4 B7R0.6 CC(C)=NNC(N)=O P39156 [0,0,0,0,0,0|2,0,1]=3 5 B7R0.6 NC(=O)CCC(=O)O A63078 [0,0,0,0,0,0|3,0,0]=3 6 B7R0.6 NC(=S)NNC(N)=S H39782 [0,0,0,0,0,0|0,2,2]=4 7 B7R0.6 O=C([O-])\C=C\C(=O)[O-] F60742 [0,0,0,0,0,0|4,0,0]=4 8 B6R0.4 C=CCCC(N)=O P5022 [1,0,0,0,0,0|3,0,0]=4 9 B6R0.4 NCCCC(N)=O A40304 [1,0,0,0,0,0|2,0,1]=4 10 B8R1.3 CC1=CC=C(N)N=N1 A0340 [0,0,0,1,0,0|3,0,0]=4 11 B8R1.3 CC1=CNC(=O)C=N1 M68091 [0,0,0,1,0,0|3,0,0]=4 12 B8R1.3 NC1=CC=C(N)N=N1 P3643 [0,0,0,1,0,0|2,0,0]=3 13 B8R1.3 NC1=CN=C(N)C=N1 P40199 [0,0,0,1,0,0|3,0,0]=4 14 B8R1.3 NC1=CN=C(N)C=N1 P40324 [0,0,0,1,0,0|3,0,0]=4 15 B8R1.3 NC1=NN=C(Br)C=C1 A0262 [0,0,0,1,0,0|3,0,0]=4 16 B8R1.3 NC1=NN=C(Br)C=N1 A39826 [0,0,0,1,0,0|3,0,0]=4 17 B8R1.3 NC1=NN=C(Cl)C=C1 A2844 [0,0,0,1,0,0|3,0,0]=4 18 B8R1.3 NC1=NN=C(F)C=C1 F3619 [0,0,0,1,0,0|3,0,0]=4 19 B8R1.3 NC1=NN=C(I)C=C1 A0591 [0,0,0,1,0,0|3,0,0]=4 20 B8R1.3 NC1=NNC(=O)C=C1 A40132 [0,0,0,1,0,0|2,0,1]=4 21 B8R1.3 O=C1CCC(=O)NC1 P24057 [0,0,0,1,0,0|3,0,0]=4 22 B8R1.3 O=C1CNC(=O)CN1 P61806 [0,0,0,1,0,0|2,0,1]=4 23 B8R1.3 O=C1N=CC(Cl)=CN1 C69555 [0,0,0,1,0,0|3,0,0]=4 24 B8R1.3 O=C1N=CC(F)=CN1 F68054 [0,0,0,1,0,0|3,0,0]=4 25 B8R1.3 O=C1N=CC(I)=CN1 K40045 [0,0,0,1,0,0|3,0,0]=4 26 B8R1.23 O=C1C[C@@H](C(=O)O)N1 X14543 [0,0,0,1,0,0|3,0,0]=4 27 B6R0.2 CC(=O)C=C(C)N A41256 [0,0,0,0,1,0|3,0,0]=4 28 B6R0.2 N=C(N)CC(N)=O M69124 [0,0,0,0,1,0|2,0,0]=3 29 B6R0.2 N=C(N)NC(=N)N B39797 [0,0,0,0,1,0|2,0,1]=4 30 B6R0.2 N=C(N)NC(N)=S C6803 [0,0,0,0,1,0|1,1,1]=4 31 B5R0.1 NCCC(N)=O A67869 [2,0,0,0,0,0|1,0,1]=4 32 B7R0.16 NC(=O)C(N)C(N)=O A39875 [0,1,0,0,1,0|1,0,0]=3 33 B7R1.2 CC1=NN=C(C)N1 D0366 [1,0,0,1,0,0|2,0,0]=4 34 B7R1.2 CC1=NN=C(N)O1 M5216 [1,0,0,1,0,0|1,0,1]=4 35 B7R1.2 CC1=NN=C(N)S1 A39857 [1,0,0,1,0,0|1,1,0]=4 36 B7R1.2 NC1=CC(N)=NN1 P39867 [1,0,0,1,0,0|1,0,1]=4 37 B7R1.2 NC1=NCC(=O)S1 A64749 [1,0,0,1,0,0|1,1,0]=4 38 B7R1.2 NC1=NN=C(Br)S1 B38550 [1,0,0,1,0,0|1,1,0]=4 39 B7R1.2 NC1=NN=C(Cl)S1 C39762 [1,0,0,1,0,0|1,1,0]=4 40 B7R1.2 NC1=NN=C(N)S1 T39770 [1,0,0,1,0,0|0,1,0]=3 41 B7R1.2 NC1=NNC(=O)C1 A39854 [1,0,0,1,0,0|1,0,1]=4 42 B7R1.2 NC1=NNC(=S)N1 K64528 [1,0,0,1,0,0|0,1,1]=4 43 B7R1.2 O=C1CNC(=O)N1 K68378 [1,0,0,1,0,0|1,0,1]=4 44 B7R1.2 O=C1CSC(=O)N1 T69276 [1,0,0,1,0,0|2,0,0]=4 45 B7R1.3 NC1=CC=CN=N1 A6039 [1,0,0,1,0,0|2,0,0]=4 46 B7R1.3 NC1=NC=CN=N1 T67661 [1,0,0,1,0,0|2,0,0]=4 47 B7R1.3 O=C1C=NC=CN1 H68630 [1,0,0,1,0,0|2,0,0]=4 48 B7R1.3 O=C1N=CC=CN1 P67458 [1,0,0,1,0,0|2,0,0]=4 49 B9R1.35 NC(=O)C1=NNC(N)=N1 A61384 [0,0,0,1,0,1|1,0,1]=4 50 B9R1.35 NC1=NN=C(C(=O)O)N1 A39136 [0,0,0,1,0,1|2,0,0]=4 51 B9R1.1 O=CC1=CNC(=O)N=C1 X63767 [0,1,0,1,0,0|2,0,0]=4 52 B9R1.69 CC1=CC(=O)NNC1=O M1514 [0,1,0,1,0,0|2,0,0]=4 53 B9R1.69 CC1=CN=C(N)C(=O)N1 A41143 [0,1,0,1,0,0|2,0,0]=4 54 B9R1.69 NC1=CN=C(N)NC1=O D40202 [0,1,0,1,0,0|2,0,0]=4 55 B9R1.69 NC1=NC=C(Br)NC1=O A40093 [0,1,0,1,0,0|2,0,0]=4 56 B9R1.69 O=C1C=C(Br)C(=O)NN1 B32458 [0,1,0,1,0,0|2,0,0]=4 57 B9R1.69 O=C1C=C(Cl)C(=O)NN1 C40034 [0,1,0,1,0,0|2,0,0]=4 58 B9R1.69 O=C1NN=C(Br)C(=O)N1 B68037 [0,1,0,1,0,0|1,0,1]=4 59 B5R0.5 CC(=O)C(=O)[O-] C43424 [0,0,0,0,2,0|2,0,0]=4 60 B5R0.5 CN(N)C(N)=O M1991 [0,0,0,0,2,0|2,0,0]=4 61 B5R0.5 C[C@@H](N)C(N)=O A69602 [0,0,0,0,2,0|1,0,1]=4 62 B5R0.5 O=C(O)C(=O)O A69569 [0,0,0,0,2,0|2,0,0]=4 63 B5R0.5 O=C(O)C(=O)O E39942 [0,0,0,0,2,0|2,0,0]=4