0 B6R0.4 C(C)(C)NCCN ACS011159 [0,0,0,0,0,0|2,0,2]=4 1 B5R0.1 C(C)(C)SC#N ACS015768 [1,0,0,0,0,0|2,0,1]=4 2 B5R0.1 CC(=CCBr)C ACS015684 [1,0,0,0,0,0|1,0,2]=4 3 B5R0.1 CC(CC=O)C ACS015719 [1,0,0,0,0,0|0,0,1]=2 4 B5R0.2 C(C=CCO)O ACS015766 [1,0,0,0,0,0|1,0,2]=4 5 B7R0.5 CC(C(CC#N)=O)C ACS015725 [0,1,0,0,0,0|1,0,2]=4 6 B7R0.6 C(CCC(C)C)(=O)Cl ACS011947 [0,1,0,0,0,0|0,0,2]=3 7 B7R0.6 [N+](=O)(OCC(C)C)[O-] ACS017175 [0,1,0,0,0,0|2,0,1]=4 8 B7R1.2 CN1N=C(C=C1)C ACS011202 [0,0,0,1,0,0|3,0,0]=4 9 B7R1.2 CN1N=C(C=C1)N ACS011201 [0,0,0,1,0,0|3,0,0]=4 10 B7R1.2 FC1CC(CC1)=O ACF022433 [0,0,0,1,0,0|1,0,2]=4 11 B7R1.2 IC1=NN(C=C1)C ACS019644 [0,0,0,1,0,0|3,0,0]=4 12 B7R1.3 CC1=NC=CC=C1 ACS015230 [0,0,0,1,0,0|2,0,1]=4 13 B7R1.3 CC=1C=NC=CC1 ACS015231 [0,0,0,1,0,0|1,0,2]=4 14 B4R0.1 C(C(C)C)#N ACS015707 [2,0,0,0,0,0|1,0,1]=4 15 B4R0.1 C(C)(C)NN ACS014063 [2,0,0,0,0,0|2,0,0]=4 16 B4R0.2 C(/C=C/C)=O ACS015659 [2,0,0,0,0,0|0,0,0]=2 17 B4R0.2 C(=C)OCC ACS015700 [2,0,0,0,0,0|1,0,0]=3 18 B4R0.2 C(=O)OCC ACS015696 [2,0,0,0,0,0|1,0,0]=3 19 B4R0.2 C(CCC)=O ACS015647 [2,0,0,0,0,0|0,0,1]=3 20 B6R0.2 CC(=CC(=O)O)C ACS012002 [1,1,0,0,0,0|0,0,1]=3 21 B6R0.3 C(C(C)C)(=O)OC ACS015723 [1,1,0,0,0,0|1,0,1]=4 22 B6R0.5 C(C)(C)(C)N=C=O ACS012388 [1,1,0,0,0,0|1,0,1]=4 23 B6R0.5 CC(C)(C)CC=O ACS010443 [1,1,0,0,0,0|0,0,1]=3 24 B8R0.23 CC(C(CC(C)=O)=O)C ACS015722 [0,2,0,0,0,0|0,0,1]=3 25 B8R0.29 CC(\C=C\B(O)O)(C)C ACS019330 [0,2,0,0,0,0|1,0,1]=4 26 B6R1.2 CC=1OC=CC1 ACS015370 [1,0,0,1,0,0|1,0,1]=4 27 B6R1.2 CN1N=CC=C1 ACS015378 [1,0,0,1,0,0|2,0,0]=4 28 B6R1.5 FC1CC(C1)=O ACF021232 [1,0,0,1,0,0|1,0,1]=4 29 B6R1.1 O1CCCC=C1 ACS011241 [1,0,0,1,0,0|0,0,2]=4 30 B8R1.1 C1=CC(=O)O[C@@H]1CO ACS010998 [0,1,0,1,0,0|1,0,0]=3 31 B8R1.1 CC1=CC(=CS1)C=O ACS020666 [0,1,0,1,0,0|0,0,2]=4 32 B8R1.1 CC1=CC=C(S1)C=O ACS010765 [0,1,0,1,0,0|1,0,1]=4 33 B8R1.1 CN1N=CC(=C1)C=O ACS020508 [0,1,0,1,0,0|1,0,1]=4 34 B8R1.4 CC1NCCC(C1)=O ACF023329 [0,1,0,1,0,0|0,0,2]=4 35 B8R1.4 C[C@@H]1NCCC(C1)=O ACF021329 [0,1,0,1,0,0|0,0,2]=4 36 B8R1.51 CC1(NC(NC1)=O)C ACS020017 [0,1,0,1,0,0|1,0,1]=4 37 B8R1.2 O1C(CCC=C1)CO ACS011258 [0,1,0,1,0,0|2,0,0]=4 38 B8R1.3 CC=1C=CC(NN1)=O ACS015494 [0,1,0,1,0,0|1,0,1]=4 39 B8R1.5 C=1(C(=CC=CC1)C)C ACS015030 [0,1,0,1,0,0|1,0,1]=4 40 B8R2.34 C12C=CC(CC1)C2 ACS015598 [0,0,0,2,0,0|1,0,1]=4