0 B10R0.15 CC(=O)NCCCC(F)(F)F Z1286425668 [0,0,0,0,0,0|4,0,0]=4 1 B10R0.15 CC(=O)NCCCS(=O)(=O)N Z756414592 [0,0,0,0,0,0|1,0,0]=1 2 B10R0.15 CC(=O)NCCCS(=O)(=O)[O-] Z1696861853 [0,0,0,0,0,0|0,0,1]=1 3 B10R0.15 CS(=O)(=O)NCCCC(=O)[O-] Z415727988 [0,0,0,0,0,0|4,0,0]=4 4 B9R0.38 COCCCCS(=O)(=O)N Z1206904572 [1,0,0,0,0,0|3,0,0]=4 5 B9R0.55 CC(C)NCCCC(=O)O Z235348217 [1,0,0,0,0,0|2,0,1]=4 6 B9R0.55 NC(=O)CCCCC(=O)O Z429601664 [1,0,0,0,0,0|3,0,0]=4 7 B9R0.55 NC(=O)NCCCC(=O)O Z56912008 [1,0,0,0,0,0|2,0,0]=3 8 B9R0.55 O=C(O)CCCCC(=O)O Z57127533 [1,0,0,0,0,0|3,0,0]=4 9 B11R0.114 C=CC(=O)NCCNS(=O)(=O)C Z440635096 [0,1,0,0,0,0|2,0,1]=4 10 B11R0.199 CS(=O)(=O)CCCCS(=O)(=O)N Z2686062443 [0,1,0,0,0,0|3,0,0]=4 11 B11R1.155 CS(=O)(=O)N1CCNC(=O)C1 Z133718524 [0,0,0,1,0,0|2,0,0]=3 12 B11R1.577 CS(=O)(=O)OCC1CC(=O)N1 Z1509149674 [0,0,0,1,0,0|2,0,0]=3 13 B11R1.710 CN(C)NC1CCS(=O)(=O)C1 Z89268932 [0,0,0,1,0,0|3,0,0]=4 14 B11R1.710 NC(=O)NC1CCS(=O)(=O)C1 Z57033954 [0,0,0,1,0,0|2,0,0]=3 15 B11R1.710 O=C(O)CC1CCS(=O)(=O)C1 Z57162030 [0,0,0,1,0,0|3,0,0]=4 16 B9R0.56 CC(=O)NCCS(=O)(=O)N Z747542504 [0,0,0,0,1,0|1,0,0]=2 17 B9R0.56 CC(C)NCCS(=O)(=O)C Z224188378 [0,0,0,0,1,0|2,0,1]=4 18 B9R0.56 CC(O)CCCS(=O)(=O)C Z854048832 [0,0,0,0,1,0|1,0,2]=4 19 B9R0.56 CS(=O)(=O)CCCC(=O)O Z732206736 [0,0,0,0,1,0|2,0,0]=3 20 B9R0.56 CS(=O)(=O)NCCC(=O)O Z45674355 [0,0,0,0,1,0|3,0,0]=4 21 B9R0.56 NS(=O)(=O)CCCC(=O)O Z351064580 [0,0,0,0,1,0|2,0,0]=3 22 B9R0.56 O=C(O)CCCP(=O)(O)O Z1255431129 [0,0,0,0,1,0|2,0,1]=4 23 B11R0.31 NS(=O)(=O)CCCCCC(=O)O Z1262522340 [0,0,0,0,0,1|3,0,0]=4 24 B8R0.7 CC(=O)NCCCCN Z600498842 [2,0,0,0,0,0|2,0,0]=4 25 B8R0.7 CCNCCCC(=O)O Z2937339976 [2,0,0,0,0,0|1,0,1]=4 26 B8R0.7 CNCCCNC(=O)C Z1269638441 [2,0,0,0,0,0|2,0,0]=4 27 B8R0.21 C=CCCCS(=O)(=O)N Z1217214778 [2,0,0,0,0,0|1,0,1]=4 28 B8R0.21 CCCCCS(=O)(=O)N Z734461490 [2,0,0,0,0,0|1,0,1]=4 29 B8R0.21 CCNCCS(=O)(=O)C Z235582846 [2,0,0,0,0,0|1,0,1]=4 30 B8R0.21 CNCCCS(=O)(=O)C Z728931320 [2,0,0,0,0,0|1,0,0]=3 31 B8R0.21 CNCCNS(=O)(=O)C Z1267881676 [2,0,0,0,0,0|2,0,0]=4 32 B8R0.21 COCCCS(=O)(=O)N Z734461458 [2,0,0,0,0,0|2,0,0]=4 33 B8R0.21 NCCCCS(=O)(=O)O Z1262622810 [2,0,0,0,0,0|1,0,1]=4 34 B10R0.55 CNC(=O)CCCCC(=O)O Z429593536 [1,1,0,0,0,0|2,0,0]=4 35 B10R0.55 COC(=O)CCCCC(=O)O Z1255485264 [1,1,0,0,0,0|2,0,0]=4 36 B10R0.55 COC(=O)NCCCC(=O)O Z319610262 [1,1,0,0,0,0|1,0,0]=3 37 B10R0.55 NCC(=O)CCCCC(=O)O Z1262545972 [1,1,0,0,0,0|2,0,0]=4 38 B10R0.31 CC(=O)CC(C)NS(=O)(=O)N Z2753550912 [0,1,0,0,1,0|2,0,0]=4 39 B10R0.31 CS(=O)(=O)C[C@H](O)CC(=O)O Z3271509641 [0,1,0,0,1,0|2,0,0]=4 40 B10R0.92 CS(=O)(=O)CCC(N)C(=O)N Z425449706 [0,1,0,0,1,0|2,0,0]=4 41 B10R0.92 CS(=O)(=O)CCC(N)C(=O)O Z5517615815 [0,1,0,0,1,0|2,0,0]=4 42 B10R1.28 NS(=O)(=O)C1CC=CCC1 Z1517090453 [1,0,0,1,0,0|2,0,0]=4 43 B10R1.28 NS(=O)(=O)C1CCNCC1 Z1263602372 [1,0,0,1,0,0|1,0,1]=4 44 B10R1.28 O=S(=O)(F)C1CC=CCC1 Z2830459907 [1,0,0,1,0,0|2,0,0]=4 45 B10R1.28 O=S(=O)(F)C1CCNCC1 Z2234374751 [1,0,0,1,0,0|1,0,1]=4 46 B10R1.28 O=S(=O)(O)C1CCCNC1 Z1255420883 [1,0,0,1,0,0|2,0,0]=4 47 B10R1.65 CS(=O)(=O)C1CCCC1=O Z979420414 [1,0,0,1,0,0|2,0,0]=4 48 B10R1.95 CCNC1CCS(=O)(=O)C1 Z90123614 [1,0,0,1,0,0|1,0,1]=4 49 B10R1.276 CC1CS(=O)(=O)CCCN1 Z2900168748 [1,0,0,1,0,0|1,0,1]=4 50 B10R1.281 NS(=O)(=O)CC1CCNC1 Z2895609370 [1,0,0,1,0,0|1,0,1]=4 51 B10R1.281 O=S(=O)(F)CC1CCNC1 Z2827879989 [1,0,0,1,0,0|1,0,1]=4 52 B10R1.54 O=C(O)CC1CNC(=O)C1 Z1203747646 [1,0,0,1,0,0|1,0,0]=3 53 B10R1.54 O=C(O)CC1COC(=O)C1 Z1205494290 [1,0,0,1,0,0|2,0,0]=4 54 B10R1.113 O=C1CC(CCN1)C(=O)O Z1203735095 [1,0,0,1,0,0|1,0,0]=3 55 B10R1.128 O=C(O)C1CCCS1(=O)=O Z1259179102 [1,0,0,1,0,0|2,0,0]=4 56 B10R1.112 O=C1CC(C1)CS(=O)(=O)F Z3704260474 [0,0,0,1,1,0|1,0,0]=3 57 B10R1.302 O=C1CCCS(=O)(=O)CC1 Z57066881 [0,0,0,1,1,0|1,0,0]=3 58 B10R1.359 O=C(O)C1CCS(=O)(=O)C1 Z104341242 [0,0,0,1,1,0|2,0,0]=4 59 B10R1.371 O=C(O)CC1CS(=O)(=O)C1 Z1551962059 [0,0,0,1,1,0|2,0,0]=4 60 B12R1.1806 O=C(O)CNC1CCS(=O)(=O)C1 Z56768694 [0,0,0,1,0,1|2,0,0]=4 61 B12R1.106 CS(=O)(=O)CC1CCC(=O)CC1 Z2216720881 [0,1,0,1,0,0|2,0,0]=4 62 B12R1.1673 COC(=O)CC1CCS(=O)(=O)C1 Z98581780 [0,1,0,1,0,0|2,0,0]=4 63 B12R1.1673 COC(=O)NC1CCS(=O)(=O)C1 Z56763612 [0,1,0,1,0,0|1,0,0]=3 64 B12R1.1673 NCC(=O)NC1CCS(=O)(=O)C1 Z398513598 [0,1,0,1,0,0|1,0,0]=3 65 B12R1.1673 O=C(CCl)NC1CCS(=O)(=O)C1 Z56889087 [0,1,0,1,0,0|1,0,0]=3 66 B12R1.1831 CC1(CCS(=O)(=O)C1)NC(=O)N Z56763665 [0,1,0,1,0,0|2,0,0]=4 67 B12R2.237 O=C1C[C@@H]2CS(=O)(=O)C[C@@H]2C1 Z3524572830 [0,0,0,2,0,0|2,0,0]=4 68 B8R0.28 CC(=O)CCCC(=O)O Z147652222 [1,0,0,0,1,0|1,0,0]=3 69 B8R0.28 CC(=O)NCCC(=O)O Z56886421 [1,0,0,0,1,0|1,0,0]=3 70 B8R0.28 CC(=O)OCCC(=O)O Z216124300 [1,0,0,0,1,0|2,0,0]=4 71 B8R0.28 NC(=O)CCCC(=O)O Z336080698 [1,0,0,0,1,0|2,0,0]=4 72 B8R0.28 NC(=O)NCCC(=O)O Z56347556 [1,0,0,0,1,0|2,0,0]=4 73 B8R0.28 O=C(O)CCCC(=O)O Z57127454 [1,0,0,0,1,0|2,0,0]=4 74 B8R0.29 CC(=O)CCS(=O)(=O)C Z992965806 [0,0,0,0,2,0|1,0,0]=3 75 B8R0.29 CS(=O)(=O)CCC(=O)O Z295403530 [0,0,0,0,2,0|2,0,0]=4 76 B8R0.29 NS(=O)(=O)CCC(=O)O Z327222556 [0,0,0,0,2,0|2,0,0]=4 77 B8R0.29 O=C(O)CCS(=O)(=O)[O-] Z2301438443 [0,0,0,0,2,0|1,0,1]=4 78 B10R0.97 CC(=O)NCCOCC(=O)O Z1323534045 [1,0,0,0,0,1|1,0,0]=3 79 B10R0.97 NC(=O)NCCCCC(=O)O Z90663560 [1,0,0,0,0,1|2,0,0]=4