0 B8R1.50 CC1=NNC(C)=C1N AT13383 [0,0,0,0,0,0|4,0,0]=4 1 B8R1.50 CC1=NNC(N)=C1C 29855 [0,0,0,0,0,0|4,0,0]=4 2 B8R1.50 O=C1CCC(=O)C1I 97934 [0,0,0,0,0,0|3,0,1]=4 3 B7R1.2 CC1=CC(=O)NO1 S10286 [1,0,0,0,0,0|1,0,0]=2 4 B7R1.2 CC1=CC(=O)OC1 C16080 [1,0,0,0,0,0|2,0,0]=3 5 B7R1.2 CC1=CC(Cl)=NN1 37270 [1,0,0,0,0,0|3,0,0]=4 6 B7R1.2 CC1=CC(N)=NN1 SC1107 [1,0,0,0,0,0|3,0,0]=4 7 B7R1.2 CC1=CCC(=O)O1 D88375 [1,0,0,0,0,0|2,0,0]=3 8 B7R1.2 CC1=NNC(I)=C1 O11450 [1,0,0,0,0,0|3,0,0]=4 9 B7R1.2 CC1=NOC(O)=C1 AC8816 [1,0,0,0,0,0|2,0,1]=4 10 B7R1.2 CC1=N[C@@H](C)CO1 81835 [1,0,0,0,0,0|2,0,1]=4 11 B7R1.4 CC1=C(C)SC=C1 C16125 [1,0,0,0,0,0|1,1,1]=4 12 B7R1.4 CC1=C(I)C=NO1 C10013 [1,0,0,0,0,0|2,0,0]=3 13 B7R1.4 CN1N=CC=C1O AT12748 [1,0,0,0,0,0|2,0,1]=4 14 B9R1.37 CC1CC(C)C(=O)C1=O D95710 [0,1,0,0,0,0|1,0,2]=4 15 B7R0.3 C\C=C\CC(=O)OC D92089 [0,0,1,0,0,0|3,0,0]=4 16 B7R0.10 C=C[C@H](O)C(=O)OC T72662 [0,0,1,0,0,0|2,0,1]=4 17 B7R0.10 C\C=C(\C)C(=O)OC D88382 [0,0,1,0,0,0|3,0,0]=4 18 B6R0.1 CCOC(=O)C=O D78103 [1,0,1,0,0,0|0,0,2]=4 19 B6R0.1 CCOC(=O)NO 74124 [1,0,1,0,0,0|1,0,1]=4 20 B6R0.1 CC\C=C(/C)C=O D91397 [1,0,1,0,0,0|2,0,0]=4 21 B6R0.1 COC(=O)CC=O D87670 [1,0,1,0,0,0|1,0,1]=4 22 B6R0.4 C=CCCC(=C)C D91319 [1,0,1,0,0,0|2,0,0]=4 23 B6R0.3 CN[C@@H](C)C(=O)O AT16587 [1,0,1,0,0,0|1,0,1]=4 24 B6R0.3 CN[C@@H](C)C(=O)O FD21048 [1,0,1,0,0,0|1,0,1]=4 25 B6R0.3 C\C=C(\C)C(C)=O D91447 [1,0,1,0,0,0|1,0,0]=3 26 B6R0.2 CC(=O)\C=C(\C)[O-] D91257 [1,0,1,0,0,0|0,0,1]=3 27 B6R0.2 CC(=O)\C=C(\C)[O-] D91267 [1,0,1,0,0,0|0,0,1]=3 28 B6R0.2 CC(=O)\C=C(\C)[O-] D91273 [1,0,1,0,0,0|0,0,1]=3 29 B6R0.2 CC(=O)\C=C(\C)[O-] H10081 [1,0,1,0,0,0|0,0,1]=3 30 B6R0.2 CC(=O)\C=C(\C)[O-] H10704 [1,0,1,0,0,0|0,0,1]=3 31 B6R0.2 CC(I)=CC(=O)O E72300 [1,0,1,0,0,0|2,0,0]=4 32 B6R1.2 CC1=CCCC1 A10734 [2,0,0,0,0,0|1,0,1]=4 33 B6R1.2 CC1=CON=C1 I11485 [2,0,0,0,0,0|2,0,0]=4 34 B6R1.2 IC1=CC=CO1 D95176 [2,0,0,0,0,0|1,0,1]=4 35 B8R0.2 C=C(C(C)=O)C(=O)OC D88208 [0,1,1,0,0,0|2,0,0]=4 36 B8R1.18 CC1=CC(=O)N(C)N1 O10614 [1,1,0,0,0,0|2,0,0]=4 37 B8R1.11 CC1=C(C=O)C=CO1 AT17469 [1,1,0,0,0,0|0,0,2]=4 38 B8R1.4 CC1=CC(=O)NC=N1 H11629 [1,0,0,0,0,1|1,0,1]=4 39 B8R1.4 O=C1C=C(O)CCN1 O11242 [1,0,0,0,0,1|2,0,0]=4