0 B7R0.2 CCC(C)NC(=O)N PI-19842 [1,0,0,0,0,0|3,0,0]=4 1 B7R0.2 NC(C)CC(C)CC PI-36995 [1,0,0,0,0,0|2,0,1]=4 2 B7R0.2 NCC(CC(=O)O)O PI-16027 [1,0,0,0,0,0|3,0,0]=4 3 B7R0.2 NC[C@@H](CC(=O)O)O PI-22701 [1,0,0,0,0,0|3,0,0]=4 4 B7R0.2 O=C([O-])CC(OC)=O PI-18514 [1,0,0,0,0,0|1,0,2]=4 5 B9R0.26 COC(=O)CC(OC)OC PI-37580 [0,1,0,0,0,0|0,0,0]=1 6 B9R0.63 CC(=O)CP(=O)(OC)OC PI-40608 [0,1,0,0,0,0|1,0,0]=2 7 B9R1.13 C1CC(NC1)CC(=O)O PI-27684 [0,0,0,1,0,0|3,0,0]=4 8 B9R1.13 C1CC(NC1)CC(=O)O PI-43782 [0,0,0,1,0,0|3,0,0]=4 9 B7R0.15 CCC(CC)C(=O)[O-] PI-26914 [0,0,0,0,1,0|3,0,0]=4 10 B7R0.15 COC(OC)C(C)Br PI-39528 [0,0,0,0,1,0|1,0,1]=3 11 B7R0.15 COC(OC)N(C)C PI-12167 [0,0,0,0,1,0|2,0,0]=3 12 B6R0.1 CC(CC=O)SC PI-48524 [2,0,0,0,0,0|0,1,0]=3 13 B6R0.2 CC(=CC(=O)C)O PI-39500 [2,0,0,0,0,0|0,0,2]=4 14 B6R0.2 CC(=O)O[Si](C)C PI-23366 [2,0,0,0,0,0|1,1,0]=4 15 B6R0.2 CC(Br)OC(=O)C PI-36668 [2,0,0,0,0,0|2,0,0]=4 16 B6R0.2 CC(C)CC(=O)[O-] PI-18660 [2,0,0,0,0,0|1,0,0]=3 17 B6R0.2 CC(CC(=O)O)N PI-35438 [2,0,0,0,0,0|2,0,0]=4 18 B6R0.2 CC(CC(=O)O)N PI-35481 [2,0,0,0,0,0|2,0,0]=4 19 B6R0.2 CC(CC(=O)O)N PI-43821 [2,0,0,0,0,0|2,0,0]=4 20 B6R0.2 CC(CC(=O)O)O PI-47070 [2,0,0,0,0,0|1,0,0]=3 21 B6R0.2 CC(OC(=O)C)Cl PI-36669 [2,0,0,0,0,0|2,0,0]=4 22 B6R0.2 CN(C)CC(=O)O PI-15416 [2,0,0,0,0,0|2,0,0]=4 23 B6R0.2 C[C@@H](N)CC(O)=O PI-42153 [2,0,0,0,0,0|2,0,0]=4 24 B6R0.2 C[C@H](N)CC(O)=O PI-35439 [2,0,0,0,0,0|2,0,0]=4 25 B6R0.2 C[S+](C)CC(=O)[O-] PI-45960 [2,0,0,0,0,0|2,0,0]=4 26 B6R0.4 CCCCC(=O)[O-] PI-46856 [2,0,0,0,0,0|2,0,0]=4 27 B6R0.4 CSCCC(=O)O PI-31992 [2,0,0,0,0,0|1,1,0]=4 28 B6R0.4 ClCCCC(=O)C PI-39487 [2,0,0,0,0,0|2,0,0]=4 29 B6R0.4 OCCCC(=O)C PI-13555 [2,0,0,0,0,0|2,0,0]=4 30 B6R0.9 COC(C=C)OC PI-42093 [2,0,0,0,0,0|0,0,1]=3 31 B8R0.2 CC(C(C(=O)O)N)OC PI-14941 [1,1,0,0,0,0|1,0,0]=3 32 B8R0.2 CCC(C)C(C(=O)O)N PI-12927 [1,1,0,0,0,0|2,0,0]=4 33 B8R0.2 CCC(C)C(C(=O)O)N PI-41663 [1,1,0,0,0,0|2,0,0]=4 34 B8R0.2 CC[C@H]([C@@H](C(=O)O)N)C PI-12926 [1,1,0,0,0,0|2,0,0]=4 35 B8R0.2 CC[C@H]([C@H](C(=O)O)N)C PI-16567 [1,1,0,0,0,0|2,0,0]=4 36 B8R0.19 CCC(=O)CC(=O)OC PI-10902 [1,1,0,0,0,0|0,0,2]=4 37 B8R0.19 CCC(CC(=O)OC)O PI-42251 [1,1,0,0,0,0|1,0,0]=3 38 B8R0.19 CC[C@H](O)CC(OC)=O PI-42252 [1,1,0,0,0,0|1,0,0]=3 39 B8R0.19 COC(=O)CC(=O)CCl PI-18464 [1,1,0,0,0,0|0,0,2]=4 40 B8R0.19 COC(=O)CC(CCl)O PI-24655 [1,1,0,0,0,0|2,0,0]=4 41 B8R0.19 COC(=O)C[C@H](CCl)O PI-24658 [1,1,0,0,0,0|2,0,0]=4 42 B8R0.23 CC(C(=O)C)OC(=O)C PI-26680 [1,1,0,0,0,0|2,0,0]=4 43 B8R0.34 CC(=O)CC(C)(C)SC PI-48506 [1,1,0,0,0,0|0,1,0]=3 44 B8R0.11 COC(C=CC=O)OC PI-47073 [1,1,0,0,0,0|0,0,1]=3 45 B8R0.11 COC(CCC#N)OC PI-25165 [1,1,0,0,0,0|0,0,2]=4 46 B8R0.11 COC(CCCBr)OC PI-35017 [1,1,0,0,0,0|0,0,1]=3 47 B8R0.11 COC(CCCCl)OC PI-28354 [1,1,0,0,0,0|0,0,1]=3 48 B8R0.31 COP(=O)(CC=C)OC PI-23367 [1,1,0,0,0,0|1,0,1]=4 49 B8R0.18 CCC(C(=O)C)C(=O)C PI-40751 [0,1,0,0,1,0|2,0,0]=4 50 B8R1.4 CC1CCCC(=O)N1 PI-35204 [1,0,0,1,0,0|2,0,0]=4 51 B8R1.4 O=C1CCC[C@@H](C)O1 PI-27587 [1,0,0,1,0,0|2,0,0]=4 52 B8R1.4 O=C1CCOC(C1)C PI-40554 [1,0,0,1,0,0|0,0,0]=2 53 B8R1.4 O=C1NCCC(O)C1 PI-37263 [1,0,0,1,0,0|2,0,0]=4 54 B8R1.2 COC1CCCNC1 PI-36380 [1,0,0,1,0,0|2,0,0]=4 55 B8R1.2 COC1CCCNC1 PI-43328 [1,0,0,1,0,0|2,0,0]=4 56 B8R1.2 NOC1CCCCO1 PI-31842 [1,0,0,1,0,0|1,0,1]=4 57 B8R1.8 C1COC(O1)CCN PI-17178 [1,0,0,1,0,0|1,0,1]=4 58 B8R1.8 CNCC1CCCO1 PI-45431 [1,0,0,1,0,0|2,0,0]=4 59 B8R1.7 C1CC(OC1)C(=O)O PI-31322 [0,0,0,1,1,0|2,0,0]=4 60 B8R1.7 C1CC(OC1)C(=O)O PI-31323 [0,0,0,1,1,0|2,0,0]=4 61 B8R1.7 CC(=O)C1CCCC1 PI-38161 [0,0,0,1,1,0|2,0,0]=4 62 B8R1.7 OC(=O)C1CCCO1 PI-33719 [0,0,0,1,1,0|2,0,0]=4 63 B10R1.66 C1COC(O1)CC[N+](=O)[O-] PI-24636 [0,0,0,1,0,1|2,0,0]=4 64 B10R1.18 CC(=O)CC1CCCCC1 PI-17830 [0,1,0,1,0,0|2,0,0]=4 65 B6R0.3 CC(C(=O)O)NC PI-27549 [1,0,0,0,1,0|2,0,0]=4 66 B6R0.3 CC(C(=O)O)NC PI-27557 [1,0,0,0,1,0|2,0,0]=4 67 B6R0.3 CCC(C(=O)C)S PI-48501 [1,0,0,0,1,0|1,1,0]=4 68 B6R0.3 CC[C@H](C)C(=O)O PI-48349 [1,0,0,0,1,0|2,0,0]=4 69 B6R0.3 [C@H](C)(NC)C(O)=O PI-39694 [1,0,0,0,1,0|2,0,0]=4 70 B8R0.9 CCC(C)CCC(O)=O PI-37097 [1,0,0,0,0,1|2,0,0]=4 71 B10R0.77 COC(CCCN(C)C)OC PI-28252 [0,0,0,0,0,2|2,0,0]=4