0 B8R1.1 C(=O)C1=CC=C(F)S1 B039130 [0,0,0,1,0,0|2,1,0]=4 1 B8R1.1 CC1=CC=C(C=O)S1 B015983 [0,0,0,1,0,0|2,1,0]=4 2 B8R1.1 N#CC1=CC=C(Br)O1 B048731 [0,0,0,1,0,0|2,0,1]=4 3 B8R1.1 O=CC1=CC=C(Cl)S1 B022480 [0,0,0,1,0,0|2,1,0]=4 4 B8R1.7 NC(=O)C1=NNC=C1 B039302 [0,0,0,1,0,0|3,0,0]=4 5 B8R1.7 O=C(O)C1=CC=NS1 B049203 [0,0,0,1,0,0|2,0,0]=3 6 B8R1.7 O=C(O)C1=CNN=C1 B015883 [0,0,0,1,0,0|2,0,1]=4 7 B8R1.7 O=C(O)C1=NNC=C1 B000140 [0,0,0,1,0,0|2,0,0]=3 8 B8R1.7 O=C(O)C1=NNC=N1 B048959 [0,0,0,1,0,0|3,0,0]=4 9 B8R1.7 O=C(O)C1=NON=C1 B050168 [0,0,0,1,0,0|3,0,0]=4 10 B8R1.7 O=C(O)C1=NSN=C1 B049226 [0,0,0,1,0,0|3,0,0]=4 11 B7R1.1 C(=O)C1=CC=NN1 B039168 [1,0,0,1,0,0|2,0,0]=4 12 B7R1.1 CCC1=CC=NO1 B063494 [1,0,0,1,0,0|1,0,1]=4 13 B7R1.1 O=CC1=NC=CS1 B046187 [1,0,0,1,0,0|2,0,0]=4 14 B9R1.13 O=C(O)CN1C=CC=N1 B030032 [0,1,0,1,0,0|1,0,1]=4 15 B9R1.34 CC1=CC(O)=CC(=O)O1 B048736 [0,1,0,1,0,0|0,0,0]=2 16 B9R1.41 CC(=O)C1=CC=NN1C B017805 [0,1,0,1,0,0|2,0,0]=4 17 B9R1.41 CC1=C(C(=O)O)SN=N1 B049290 [0,1,0,1,0,0|2,0,0]=4 18 B9R1.41 CC1=NNN=C1C(=O)O B017733 [0,1,0,1,0,0|2,0,0]=4 19 B9R1.41 CC1=NON=C1C(=O)O B036267 [0,1,0,1,0,0|2,0,0]=4 20 B9R1.41 CN1N=CC=C1C(=O)Cl B006621 [0,1,0,1,0,0|2,0,0]=4 21 B9R1.41 CN1N=CC=C1C(=O)O B000141 [0,1,0,1,0,0|1,0,0]=3 22 B9R1.41 CN1N=CC=C1C(N)=O B020779 [0,1,0,1,0,0|2,0,0]=4 23 B9R1.41 NC(=O)C1=C(N)SC=C1 B014696 [0,1,0,1,0,0|2,0,0]=4 24 B9R1.41 NC1=CNN=C1C(=O)O B047686 [0,1,0,1,0,0|2,0,0]=4 25 B9R1.41 NC1=CSN=C1C(=O)O B049586 [0,1,0,1,0,0|2,0,0]=4 26 B9R1.41 NC1=NNC=C1C(=O)O B007340 [0,1,0,1,0,0|2,0,0]=4 27 B9R1.41 O=C(O)C1=NNC=C1Br B006501 [0,1,0,1,0,0|2,0,0]=4 28 B9R1.41 O=C(O)C1=NNC=C1Cl B000131 [0,1,0,1,0,0|2,0,0]=4 29 B9R1.41 O=C(O)C1=NNC=C1I B006484 [0,1,0,1,0,0|2,0,0]=4 30 B9R1.11 COC(=O)C1=CC=CN1 B049814 [0,1,0,1,0,0|1,0,0]=3 31 B9R1.11 COC(=O)C1=CC=NN1 B016176 [0,1,0,1,0,0|2,0,0]=4 32 B9R1.11 COC(=O)C1=CC=NO1 B038949 [0,1,0,1,0,0|2,0,0]=4 33 B9R1.11 C\C(=N/O)C1=CC=CO1 B006531 [0,1,0,1,0,0|2,0,0]=4 34 B9R1.21 CCC1=CC=C(C=O)S1 B003568 [0,1,0,1,0,0|0,1,1]=4 35 B9R1.35 CC(=O)C1=CC(Br)=CS1 B020506 [0,1,0,1,0,0|2,0,0]=4 36 B9R1.35 CC(=O)C1=CC=C(F)S1 B046183 [0,1,0,1,0,0|1,1,0]=4 37 B9R1.35 CC(=O)C1=CSC(C)=N1 B059741 [0,1,0,1,0,0|2,0,0]=4 38 B9R1.35 CC(=O)C1=NN(C)C=C1 B017804 [0,1,0,1,0,0|2,0,0]=4 39 B9R1.35 CC1=CC(C(=O)O)=CS1 B007488 [0,1,0,1,0,0|1,0,0]=3 40 B9R1.35 CC1=CC(C(=O)O)=NN1 B000144 [0,1,0,1,0,0|2,0,0]=4 41 B9R1.35 CC1=CC(C(=O)O)=NO1 B007473 [0,1,0,1,0,0|2,0,0]=4 42 B9R1.35 CC1=NOC(C(=O)O)=C1 B028540 [0,1,0,1,0,0|2,0,0]=4 43 B9R1.35 CN1C=C(C(=O)O)C=N1 B000227 [0,1,0,1,0,0|2,0,0]=4 44 B9R1.35 CN1C=CC(C(=O)Cl)=N1 B006627 [0,1,0,1,0,0|2,0,0]=4 45 B9R1.35 CN1C=CC(C(=O)O)=N1 B000139 [0,1,0,1,0,0|1,0,0]=3 46 B9R1.35 CN1C=CC(C(N)=O)=N1 B047067 [0,1,0,1,0,0|2,0,0]=4 47 B9R1.35 CN1C=NC(C(=O)O)=C1 B049879 [0,1,0,1,0,0|2,0,0]=4 48 B9R1.35 NC(=O)C1=CC=C(F)S1 B051305 [0,1,0,1,0,0|2,0,0]=4 49 B9R1.35 NC1=NNC(C(=O)O)=C1 B007338 [0,1,0,1,0,0|2,0,0]=4 50 B9R1.35 O=C(Cl)C1=CC=C(F)S1 B051304 [0,1,0,1,0,0|2,0,0]=4 51 B9R1.35 O=C(O)C1=CC(Br)=CS1 B013954 [0,1,0,1,0,0|1,0,0]=3 52 B9R1.35 O=C(O)C1=CC(I)=NN1 B062956 [0,1,0,1,0,0|2,0,0]=4 53 B9R1.35 O=C(O)C1=CC=C(F)S1 B029946 [0,1,0,1,0,0|1,0,0]=3 54 B9R1.35 O=C1C=C(C(=O)O)NN1 B050600 [0,1,0,1,0,0|2,0,0]=4 55 B9R1.69 CC1=NC(C)=C(N)C=C1 B049993 [0,1,0,1,0,0|2,0,0]=4 56 B9R1.69 CC1=NC(C)=C(O)C=C1 B049973 [0,1,0,1,0,0|2,0,0]=4 57 B9R1.69 CC1=NC(N)=CC=C1I B049349 [0,1,0,1,0,0|2,0,0]=4