0 B5R0.1 C=C(C)C#CC AT18764 [0,0,0,0,0,0|2,0,2]=4 1 B5R0.1 C[S@](=O)CCN AT24515 [0,0,0,0,0,0|3,0,1]=4 2 B4R0.1 CN(N)C=O D74578 [1,0,0,0,0,0|3,0,0]=4 3 B6R0.1 C=CC[C@H](N)CF AT24441 [0,1,0,0,0,0|2,0,1]=4 4 B6R0.1 C=CC[C@H](O)CN AT10909 [0,1,0,0,0,0|1,0,2]=4 5 B6R0.1 C=CC[C@H](O)CN AT10910 [0,1,0,0,0,0|1,0,2]=4 6 B6R0.1 COCC(=O)CBr AT12825 [0,1,0,0,0,0|2,0,1]=4 7 B6R0.2 C=C(I)CC(=O)O E73427 [0,1,0,0,0,0|2,0,0]=3 8 B6R0.3 C=C[C@@H](C)[C@H](C)O E71487 [0,1,0,0,0,0|1,0,2]=4 9 B6R0.3 C=C[C@@H](C)[C@H](C)O E71488 [0,1,0,0,0,0|1,0,2]=4 10 B6R0.4 CC(=O)CCCN C77428 [0,1,0,0,0,0|1,0,2]=4 11 B6R0.4 N#C\C=C\C(=O)O AC9289 [0,1,0,0,0,0|2,0,1]=4 12 B6R0.4 NC\C=C/C(=O)O AT20734 [0,1,0,0,0,0|2,0,1]=4 13 B6R0.4 NC\C=C\C(=O)O AT20733 [0,1,0,0,0,0|2,0,1]=4 14 B6R1.2 BrC1=CN=CO1 AT11056 [0,0,0,1,0,0|2,0,1]=4 15 B6R1.2 CN1CC=CC1 A10777 [0,0,0,1,0,0|3,0,0]=4 16 B6R1.2 FC1=NC=CN1 73631 [0,0,0,1,0,0|3,0,0]=4 17 B6R1.2 O=C1C=COC1 D75288 [0,0,0,1,0,0|2,0,0]=3 18 B6R1.2 O=C1NC=CO1 C74434 [0,0,0,1,0,0|1,0,0]=2 19 B6R1.2 OC1=CC=CS1 AC4704 [0,0,0,1,0,0|0,1,2]=4 20 B6R1.2 SC1=NN=CO1 AT18825 [0,0,0,1,0,0|2,1,0]=4 21 B6R1.5 O=C1C[C@H](F)N1 D72810 [0,0,0,1,0,0|2,0,1]=4 22 B3R0.2 C[13C](=O)[O-] 41466 [2,0,0,0,0,0|0,0,1]=3 23 B3R0.2 O=[13C]([O-])[O-] 41464 [2,0,0,0,0,0|1,0,1]=4 24 B3R0.2 [13CH3]C(=O)[O-] 41465 [2,0,0,0,0,0|0,0,1]=3 25 B3R0.2 [13CH3][13C](=O)O 41419 [2,0,0,0,0,0|0,0,0]=2 26 B3R0.2 [13CH3][13C](=O)[O-] 41460 [2,0,0,0,0,0|0,0,1]=3 27 B5R0.3 O=C(CO)CBr AC6051 [1,1,0,0,0,0|1,0,1]=4 28 B5R0.5 CC(=O)[C@H](C)N 91521 [1,1,0,0,0,0|0,0,2]=4 29 B5R0.2 C=CCNOC AT24925 [1,1,0,0,0,0|2,0,0]=4 30 B5R0.2 CCOCC=O AT18655 [1,1,0,0,0,0|0,0,2]=4 31 B7R0.3 CCONC(=O)CO AT24923 [0,2,0,0,0,0|0,0,2]=4 32 B7R0.5 C\C=C\[C@H](C)C(=O)O AC9353 [0,2,0,0,0,0|2,0,0]=4 33 B7R1.1 C#CC1=CC=CO1 AC9158 [0,1,0,1,0,0|1,0,1]=4 34 B7R1.1 NCC1=CN=CO1 P10824 [0,1,0,1,0,0|2,0,0]=4 35 B7R1.1 O=CC1=CC=NO1 C73163 [0,1,0,1,0,0|1,0,1]=4 36 B7R1.2 BrC1=COC(Br)=N1 AT18462 [0,1,0,1,0,0|2,0,0]=4 37 B7R1.2 CC1=CC=C(N)S1 32908 [0,1,0,1,0,0|1,1,0]=4 38 B7R1.2 CC1=CN=C(Br)O1 F20659 [0,1,0,1,0,0|2,0,0]=4 39 B7R1.2 CC1=COC(Cl)=N1 AT18557 [0,1,0,1,0,0|2,0,0]=4 40 B7R1.2 CC1=NOC(Br)=C1 AT19745 [0,1,0,1,0,0|2,0,0]=4 41 B7R1.2 NC1=NC=C(Br)O1 D76175 [0,1,0,1,0,0|2,0,0]=4 42 B7R1.2 O=C1CSC(=O)C1 AT24293 [0,1,0,1,0,0|0,1,1]=4 43 B7R1.4 CC1=C(Br)N=CO1 AT18589 [0,1,0,1,0,0|2,0,0]=4 44 B7R1.4 CC1=C(Br)N=CO1 AT26832 [0,1,0,1,0,0|2,0,0]=4 45 B7R1.4 CC1=C(Br)OC=N1 AT18669 [0,1,0,1,0,0|2,0,0]=4 46 B7R1.4 CC1=C(Br)OC=N1 AT18693 [0,1,0,1,0,0|2,0,0]=4 47 B7R1.4 CC1=C(N)C=CS1 86771 [0,1,0,1,0,0|1,1,0]=4 48 B7R1.4 CC1=C(N)C=CS1 AT25979 [0,1,0,1,0,0|1,1,0]=4 49 B7R1.4 CC1=C(O)C=CS1 AT26691 [0,1,0,1,0,0|0,1,1]=4 50 B7R1.10 O=C1C[C@H](CBr)O1 AC5920 [0,1,0,1,0,0|0,0,2]=4