0 B6R0.2 C(C(=O)O)N(C)C D18801 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.2 CC(C)=CC(=O)O D18784 [0,0,0,0,0,0|1,0,0]=1 2 B6R0.2 CC(C)CC(=N)N M13844 [0,0,0,0,0,0|2,0,2]=4 3 B6R0.2 C\C(N)=C/C(N)=S A18256 [0,0,0,0,0,0|2,1,0]=3 4 B5R0.1 CCCC(=O)O B18853 [1,0,0,0,0,0|1,0,2]=4 5 B5R0.1 CNCC(=O)O S18803 [1,0,0,0,0,0|2,0,1]=4 6 B5R0.1 C\C(I)=C\CI D16723 [1,0,0,0,0,0|2,0,1]=4 7 B7R0.2 CC[C@H](C)CC(=O)O M13871 [0,1,0,0,0,0|1,0,2]=4 8 B7R0.2 COC(=O)\C=C(\C)N A18843 [0,1,0,0,0,0|1,0,0]=2 9 B7R0.9 CC(C)(C)CC(=O)O B0283 [0,1,0,0,0,0|1,0,2]=4 10 B7R0.9 CC(C)(C)OC(N)=O B14424 [0,1,0,0,0,0|2,0,1]=4 11 B7R0.9 CC(C)(N)CC(=O)O A17650 [0,1,0,0,0,0|1,0,2]=4 12 B7R0.9 C[N+](C)(C)CC(=O)Cl C12709 [0,1,0,0,0,0|2,0,1]=4 13 B7R0.16 CC(C)[C@@H](Br)C(=O)O B8237 [0,1,0,0,0,0|1,0,2]=4 14 B7R0.16 CC(C)[C@@H](N)C(=O)O V6098 [0,1,0,0,0,0|1,0,2]=4 15 B7R0.16 CC(C)[C@H](Br)C(=O)O B8238 [0,1,0,0,0,0|1,0,2]=4 16 B7R0.16 CC(C)[C@H](O)C(=O)O H12825 [0,1,0,0,0,0|1,0,2]=4 17 B7R0.16 CN(C)C(F)=[N+](C)C T12752 [0,1,0,0,0,0|3,0,0]=4 18 B7R1.2 CC1=CC(=O)NN1 M2903 [0,0,0,1,0,0|2,0,0]=3 19 B7R1.2 CC1=CC(Br)=CS1 B8084 [0,0,0,1,0,0|1,1,1]=4 20 B7R1.2 CC1=CC(N)=NO1 A0141 [0,0,0,1,0,0|2,0,1]=4 21 B7R1.2 CC1=CC=C(C)N1 D1487 [0,0,0,1,0,0|2,0,1]=4 22 B7R1.2 CC1=CC=C(C)S1 P14109 [0,0,0,1,0,0|2,0,1]=4 23 B7R1.2 CC1=CNC(C)=N1 D12856 [0,0,0,1,0,0|2,0,1]=4 24 B7R1.2 O=C1CCC(=O)C1 C13983 [0,0,0,1,0,0|1,0,1]=3 25 B7R1.2 O=C1CNC(=O)O1 O13300 [0,0,0,1,0,0|3,0,0]=4 26 B7R1.2 O=C1CSC(=O)N1 T0472 [0,0,0,1,0,0|3,0,0]=4 27 B7R1.20 O=C(O)CC1CC1 C2235 [0,0,0,1,0,0|1,0,2]=4 28 B5R0.5 CC(=O)C(C)O A1243 [0,0,0,0,1,0|1,0,1]=3 29 B5R0.5 CC(Br)C(=O)O B18872 [0,0,0,0,1,0|2,0,1]=4 30 B5R0.5 CC(C)C(=N)N M12995 [0,0,0,0,1,0|2,0,1]=4 31 B5R0.5 CC(C)C(N)=O I11048 [0,0,0,0,1,0|1,0,1]=3 32 B5R0.5 CC(Cl)C(=O)Cl C18873 [0,0,0,0,1,0|2,0,1]=4 33 B5R0.5 CN(C)C(=N)N D13765 [0,0,0,0,1,0|3,0,0]=4 34 B5R0.5 C[C@@H](Cl)C(=O)O C6128 [0,0,0,0,1,0|2,0,1]=4 35 B5R0.5 C[C@@H](N)C(=O)O A6086 [0,0,0,0,1,0|2,0,1]=4 36 B5R0.5 C[C@H](Cl)C(=O)O C4804 [0,0,0,0,1,0|2,0,1]=4 37 B5R0.5 C[C@H](N)C(N)=O A6327 [0,0,0,0,1,0|2,0,1]=4 38 B7R0.6 C(NC(C)=O)C(=O)O A1250 [0,0,0,0,0,1|2,0,1]=4 39 B7R0.6 CC(=O)CNC(C)=O O12675 [0,0,0,0,0,1|1,0,1]=3 40 B4R0.1 CC(=O)NO A3293 [2,0,0,0,0,0|2,0,0]=4 41 B6R0.1 CCOC(=O)CN A14488 [1,1,0,0,0,0|1,0,1]=4 42 B6R0.1 CNCC(=O)OC M5408 [1,1,0,0,0,0|1,0,1]=4 43 B6R0.4 CC\C=C\C(=N)N P16911 [1,1,0,0,0,0|2,0,0]=4 44 B6R0.7 CC(C)(C)C(=O)Cl P18804 [0,1,0,0,1,0|1,0,1]=4 45 B8R0.2 CCC(C)C(=O)C(=O)O M13252 [0,2,0,0,0,0|1,0,1]=4 46 B8R0.2 COC(=O)[C@@H](N)C(C)C V7757 [0,2,0,0,0,0|0,0,2]=4 47 B8R0.5 CCO\C(N)=C\C(=O)O A15455 [0,2,0,0,0,0|2,0,0]=4 48 B8R0.16 CN\C(=C/[N+](=O)[O-])SC M2501 [0,2,0,0,0,0|2,0,0]=4 49 B8R0.24 CC(C)(C)OC(=O)CN G2443 [0,2,0,0,0,0|1,0,1]=4 50 B6R1.2 O=C1C=CCC1 C18886 [1,0,0,1,0,0|0,0,0]=2 51 B6R1.2 O=C1C=CSN1 S19312 [1,0,0,1,0,0|2,0,0]=4 52 B6R1.2 O=C1CCSC1 T11319 [1,0,0,1,0,0|1,0,1]=4 53 B6R1.2 O=C1CC[NH2+]N1 P12961 [1,0,0,1,0,0|2,0,0]=4 54 B6R1.11 CC(=O)C1CC1 C0960 [1,0,0,1,0,0|0,0,2]=4 55 B8R1.3 CN1CCC(=O)CC1 M3185 [0,0,0,1,0,1|1,0,1]=4 56 B8R1.1 O=C1CC[C@@H](CBr)N1 B12676 [0,1,0,1,0,0|1,0,1]=4 57 B8R1.1 O=C1CC[C@@H](CO)N1 H12661 [0,1,0,1,0,0|1,0,1]=4 58 B8R1.1 O=C1CC[C@@H](CO)N1 H12661 [0,1,0,1,0,0|1,0,1]=4 59 B8R1.4 CC1=CN=CC(C)=C1 D3192 [0,1,0,1,0,0|1,0,1]=4 60 B8R1.4 NC1=CC(=O)CCC1 A11848 [0,1,0,1,0,0|1,0,0]=3 61 B8R1.4 O=C1C=C(Cl)CCC1 C14310 [0,1,0,1,0,0|1,0,0]=3 62 B8R1.18 CC1=C(C)OC(=O)O1 D0822 [0,1,0,1,0,0|2,0,0]=4 63 B8R1.18 CC1=NC(C)=C(C)S1 T11320 [0,1,0,1,0,0|1,1,0]=4 64 B8R1.18 CC1=NN(C)C(N)=C1 A13658 [0,1,0,1,0,0|2,0,0]=4 65 B8R1.18 CN1CC(=O)N=C1N C5652 [0,1,0,1,0,0|2,0,0]=4 66 B8R1.18 N[C@@H]1CC(=O)OC1=O A18191 [0,1,0,1,0,0|2,0,0]=4 67 B8R1.50 CC1=C(O)COC1=O H15815 [0,1,0,1,0,0|2,0,0]=4 68 B8R1.50 CC1=NNC(C)=C1Br B8009 [0,1,0,1,0,0|2,0,0]=4 69 B8R1.50 CC1=NOC(C)=C1Br B8044 [0,1,0,1,0,0|1,0,1]=4 70 B8R1.50 CC1=NOC(C)=C1N A18208 [0,1,0,1,0,0|1,0,1]=4 71 B8R1.50 O=C1CCC(=O)N1Br B12482 [0,1,0,1,0,0|2,0,0]=4 72 B8R1.50 O=C1CCC(=O)N1Cl C18802 [0,1,0,1,0,0|2,0,0]=4 73 B8R1.50 O=C1CCC(=O)N1O H0382 [0,1,0,1,0,0|2,0,0]=4