0 B10R1.59 CC(=O)C1=C(C)SC(C)=N1 BB12-3985 [0,0,0,0,0,0|1,1,0]=2 1 B10R1.59 CC1=C(C(=O)O)N=C(Br)S1 BB26-0182 [0,0,0,0,0,0|3,1,0]=4 2 B10R1.59 CC1=C(C(=O)O)N=C(Cl)S1 BB26-0154 [0,0,0,0,0,0|3,1,0]=4 3 B10R1.59 CC1=C(C(=O)O)N=C(N)S1 BB12-3541 [0,0,0,0,0,0|3,1,0]=4 4 B9R1.22 CC1=CC(C=O)=C(C)N1 BB17-1648 [1,0,0,0,0,0|1,0,0]=2 5 B9R1.35 CC1=CC(C(N)=O)=NO1 BB12-1502 [1,0,0,0,0,0|2,0,0]=3 6 B9R1.35 CC1=NC(C(=O)O)=CS1 BB01-2835 [1,0,0,0,0,0|2,1,0]=4 7 B9R1.41 CC1=C(C(=O)O)N=CN1 BB12-2055 [1,0,0,0,0,0|3,0,0]=4 8 B9R1.41 CC1=C(C(=O)O)N=CS1 BB26-0189 [1,0,0,0,0,0|2,1,0]=4 9 B9R1.41 CC1=C(C(=O)O)SC=N1 BB12-3519 [1,0,0,0,0,0|3,0,0]=4 10 B11R1.49 CCC1=C(C(=O)O)N=C(C)S1 BB26-0198 [0,1,0,0,0,0|2,1,0]=4 11 B11R1.49 CCC1=C(C(=O)O)SC(C)=N1 BB12-3625 [0,1,0,0,0,0|3,0,0]=4 12 B11R1.225 CC1=CC(C(=O)CCl)=C(C)S1 BB12-1786 [0,1,0,0,0,0|0,1,0]=2 13 B11R1.225 CC1=NN(C)C(C(=O)NN)=C1 BB55-4194 [0,1,0,0,0,0|3,0,0]=4 14 B11R1.225 COC(=O)C1=C(C)SC(N)=N1 BB26-0250 [0,1,0,0,0,0|2,1,0]=4 15 B11R1.166 CC(=O)C1=C(F)C=C(O)C=C1 BB12-2243 [0,0,0,0,0,1|3,0,0]=4 16 B11R1.166 CC(=O)C1=CNC(=O)N=C1C BB53-1707 [0,0,0,0,0,1|2,0,0]=3 17 B11R1.167 CC(=O)C1=C(O)C=CC(Br)=C1 BB53-1900 [0,0,0,0,0,1|3,0,0]=4 18 B11R1.167 CC1=NNC(=O)C(C(=O)O)=C1 BB17-0297 [0,0,0,0,0,1|3,0,0]=4 19 B11R1.645 CC(=O)CN1N=C(C)C=C1C BB12-2870 [0,0,0,0,0,1|3,0,0]=4 20 B8R1.1 CC1=CC(C=O)=NN1 BB12-3191 [2,0,0,0,0,0|2,0,0]=4 21 B8R1.1 CN1C=C(C=O)C=N1 BB12-1724 [2,0,0,0,0,0|2,0,0]=4 22 B8R1.11 CC1=C(C=O)NC=N1 BB12-3119 [2,0,0,0,0,0|2,0,0]=4 23 B8R1.11 CC1=C(CO)C=CO1 BB90-0116 [2,0,0,0,0,0|0,0,2]=4 24 B8R1.11 CN1N=CC=C1C=O BB55-3814 [2,0,0,0,0,0|2,0,0]=4 25 B8R1.7 O=C(O)C1=NOC=C1 BB20-4533 [2,0,0,0,0,0|2,0,0]=4 26 B10R1.35 CCN1C=C(C=O)C(C)=N1 BB55-3813 [1,1,0,0,0,0|2,0,0]=4 27 B10R1.256 CC1=NN(C)C(C)=C1C=O BB12-1500 [1,1,0,0,0,0|2,0,0]=4 28 B10R1.31 CCC1=CC(C(=O)Cl)=NO1 BB55-4165 [1,1,0,0,0,0|2,0,0]=4 29 B10R1.31 CCC1=NC(C(=O)O)=CO1 BB12-3563 [1,1,0,0,0,0|2,0,0]=4 30 B10R1.149 COC(=O)C1=C(C)N=CN1 BB12-3127 [1,1,0,0,0,0|2,0,0]=4 31 B10R1.149 COC(=O)C1=CSN=C1C BB12-1733 [1,1,0,0,0,0|2,0,0]=4 32 B10R1.192 CC(=O)C1=C(C)OC=C1C BB17-2351 [1,1,0,0,0,0|0,0,0]=2 33 B10R1.192 CC(=O)C1=C(N)NN=C1C BB12-4384 [1,1,0,0,0,0|2,0,0]=4 34 B10R1.192 CC1=NOC(C)=C1C(=O)Cl BB55-4167 [1,1,0,0,0,0|2,0,0]=4 35 B12R1.1703 COC(=O)C1=C(C)N=C(N)N=C1 BB53-1398 [0,1,0,0,0,1|2,0,0]=4 36 B12R1.1703 COC(=O)C1=C(O)N=C(C)N=C1 BB12-4464 [0,1,0,0,0,1|2,0,0]=4 37 B12R1.1703 COC(=O)C1=CN=C(C)NC1=O BB10-0287 [0,1,0,0,0,1|2,0,0]=4 38 B12R1.1926 CCC1=C(C(=O)OC)SC(C)=N1 BB12-3626 [0,2,0,0,0,0|2,0,0]=4 39 B10R1.66 CC(=O)\C=C\C1=CC=CO1 BB12-2961 [0,0,1,1,0,0|0,0,2]=4 40 B10R1.13 CC(=O)C1=CC=C(I)C=C1 BB17-2376 [1,0,0,0,0,1|2,0,0]=4 41 B10R1.13 O=C1C=CC(C(=O)O)=CO1 BB26-0398 [1,0,0,0,0,1|2,0,0]=4 42 B12R1.233 CC(=O)NC1=C(N)C=C(C)C=C1 BB12-1696 [0,0,0,0,0,2|2,0,0]=4 43 B12R1.233 CC(=O)NC1=CC=C(C)C=C1O BB12-2649 [0,0,0,0,0,2|2,0,0]=4 44 B12R1.127 CC(=O)NC1=C(N)C=CC(C)=C1 BB12-1695 [0,0,0,0,0,2|2,0,0]=4 45 B12R1.127 CC1=CC=C(C)C(CC(=O)O)=C1 BB56-0458 [0,0,0,0,0,2|2,0,0]=4