0 B8R0.28 CN(C)CCCC(=O)O CS18615 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.4 CC#CCOC(C)=O MC434061 [1,0,0,0,0,0|0,1,2]=4 2 B7R0.4 C\C=C\C=C\C(=O)[O-] CS11961 [1,0,0,0,0,0|2,0,1]=4 3 B9R0.53 CC(C)=CC(=O)C=C(C)C MC10339 [0,1,0,0,0,0|2,0,1]=4 4 B9R1.35 CC(=O)C1=CC=C(C)S1 CS20396 [0,0,0,1,0,0|2,0,1]=4 5 B9R1.35 CC(=O)C1=NC(C)=CO1 CS16603 [0,0,0,1,0,0|3,0,0]=4 6 B9R1.49 CN1CCCC(=O)CC1 CS13899 [0,0,0,1,0,0|2,0,1]=4 7 B9R1.53 CC(=O)OC1CC(=O)N1 CS18165 [0,0,0,1,0,0|2,1,0]=4 8 B9R1.66 CC1(C)CC(=O)CCO1 CS17870 [0,0,0,1,0,0|2,0,1]=4 9 B9R1.66 CC1(C)CCCC(=O)C1 MC10482 [0,0,0,1,0,0|1,0,2]=4 10 B7R0.6 C=C(C)CCC(=O)O CS16527 [0,0,0,0,1,0|1,0,2]=4 11 B7R0.6 CC(=O)CCC(=O)O CS18688 [0,0,0,0,1,0|2,0,1]=4 12 B7R0.6 CC(=O)NCC(=O)O CS19131 [0,0,0,0,1,0|3,0,0]=4 13 B7R0.6 CC(C)CCC(=O)Cl MC20895 [0,0,0,0,1,0|1,0,2]=4 14 B7R0.6 CN(C)CCC(=O)O CS12169 [0,0,0,0,1,0|2,0,1]=4 15 B6R0.4 C=CCCC(=O)O CS15216 [2,0,0,0,0,0|2,0,0]=4 16 B6R0.4 CC(C)=CC[Mg]Cl MC116049 [2,0,0,0,0,0|2,0,0]=4 17 B6R0.4 CC(C)=CC[Zn]Cl MC116080 [2,0,0,0,0,0|2,0,0]=4 18 B6R0.4 CC(C)CCC=O MC428026 [2,0,0,0,0,0|0,0,2]=4 19 B6R0.4 CN(C)\C=C\C=O MC42238 [2,0,0,0,0,0|1,0,1]=4 20 B6R0.4 CO\C=C\C(C)=O MC33352 [2,0,0,0,0,0|1,0,1]=4 21 B8R0.6 C\C=C\C=C\C(=O)OC MC446659 [1,1,0,0,0,0|1,0,1]=4 22 B8R0.9 CNC(=O)CNC(C)=O MC436060 [1,1,0,0,0,0|2,0,0]=4 23 B8R0.23 CC(=O)CC(=O)C(C)C MC41930 [0,1,0,0,1,0|0,0,1]=3 24 B10R0.70 CC(C)=CC(CN)CC(=O)O MC428275 [0,2,0,0,0,0|2,0,0]=4 25 B8R1.7 NC(=O)C1CC=CC1 CS11184 [1,0,0,1,0,0|2,0,0]=4 26 B8R1.34 CC(=O)SC1CNC1 MC103969 [1,0,0,1,0,0|1,0,1]=4 27 B8R1.3 C=C1CCC(=O)CC1 MC106742 [0,0,0,1,1,0|0,0,2]=4 28 B8R1.3 CN1CCC(=O)CC1 CS18410 [0,0,0,1,1,0|1,0,1]=4 29 B8R1.3 O=C1CCC(=O)CC1 CS19236 [0,0,0,1,1,0|1,0,1]=4 30 B8R1.3 O=C1CCC(=O)NC1 CS21155 [0,0,0,1,1,0|2,0,0]=4 31 B8R1.51 CC1(C)CNC(=O)C1 CS22480 [0,0,0,1,1,0|1,0,1]=4 32 B10R1.13 CC(=O)C1CC=C(C)CC1 CS14813 [0,1,0,1,0,0|1,0,0]=3 33 B6R0.2 CC(=O)\C=C(/C)N MC105899 [0,0,0,0,2,0|1,0,0]=3 34 B6R0.2 CC(C)=CC(=O)O CS14947 [0,0,0,0,2,0|1,0,0]=3 35 B6R0.2 CN(C)CC(=O)O CS13413 [0,0,0,0,2,0|2,0,0]=4