0 B6R0.5 BrCCS(=O)(=O)[O-] PI-39364 [0,0,0,0,0,0|1,0,1]=2 1 B6R0.5 C(CCl)S(=O)(=O)[O-] PI-24128 [0,0,0,0,0,0|1,0,1]=2 2 B6R0.5 C(CS(=O)(=O)O)N PI-31986 [0,0,0,0,0,0|1,0,0]=1 3 B6R0.5 C(CS(=O)(=O)O)S PI-21828 [0,0,0,0,0,0|0,0,0]=0 4 B6R0.5 C(CS(=O)(=O)[O-])S PI-18298 [0,0,0,0,0,0|0,0,1]=1 5 B6R0.5 CCCS(=O)(=O)Cl PI-42938 [0,0,0,0,0,0|2,0,0]=2 6 B6R0.5 CS(=O)(=O)CCBr PI-44875 [0,0,0,0,0,0|2,0,0]=2 7 B6R0.5 NCCS(=O)(=O)N PI-36893 [0,0,0,0,0,0|2,0,0]=2 8 B6R0.5 NCC[S](=O)(=O)C PI-41234 [0,0,0,0,0,0|2,0,0]=2 9 B6R0.5 O=C=NS(=O)(=O)Cl PI-13075 [0,0,0,0,0,0|2,1,1]=4 10 B5R0.1 B(CCC)(O)O PI-35885 [1,0,0,0,0,0|2,0,1]=4 11 B5R0.1 C(CBr)C(=O)Cl PI-47061 [1,0,0,0,0,0|3,0,0]=4 12 B5R0.1 C(CCl)C(=O)Cl PI-48842 [1,0,0,0,0,0|3,0,0]=4 13 B5R0.1 CC(CCO)O PI-15618 [1,0,0,0,0,0|2,1,0]=4 14 B5R0.1 CCCC(=O)N PI-32787 [1,0,0,0,0,0|3,0,0]=4 15 B5R0.1 CCCC(C)O PI-42533 [1,0,0,0,0,0|3,0,0]=4 16 B5R0.1 CCC[C@@H](O)C PI-42532 [1,0,0,0,0,0|3,0,0]=4 17 B5R0.1 CNCC(=O)O PI-45053 [1,0,0,0,0,0|3,0,0]=4 18 B5R0.1 NCCC(=O)O PI-14317 [1,0,0,0,0,0|2,0,0]=3 19 B5R0.1 O=C(O)CCS PI-40342 [1,0,0,0,0,0|1,0,0]=2 20 B5R0.1 OC(CON)=O PI-37190 [1,0,0,0,0,0|3,0,0]=4 21 B5R0.1 OCCC(=O)O PI-20855 [1,0,0,0,0,0|1,1,0]=3 22 B5R0.1 OCC[C@H](O)C PI-15617 [1,0,0,0,0,0|2,1,0]=4 23 B5R0.4 CCS(=O)(=O)Cl PI-42937 [1,0,0,0,0,0|1,0,0]=2 24 B5R0.4 CCS(=O)(=O)O PI-42934 [1,0,0,0,0,0|0,0,0]=1 25 B5R0.4 CS(=O)(=O)NN PI-50415 [1,0,0,0,0,0|3,0,0]=4 26 B5R0.4 CSS(=O)(=O)C PI-24302 [1,0,0,0,0,0|2,0,0]=3 27 B5R0.4 NCS(=O)(=O)O PI-12154 [1,0,0,0,0,0|1,0,0]=2 28 B7R0.8 BrCCCS(=O)([O-])=O PI-40818 [0,1,0,0,0,0|1,0,1]=3 29 B7R0.8 C(CN)CP(=O)(O)O PI-19098 [0,1,0,0,0,0|2,0,1]=4 30 B7R0.8 C(CS(=O)(=O)Cl)CCl PI-35853 [0,1,0,0,0,0|2,0,0]=3 31 B7R0.8 C(CS)CS(=O)(=O)[O-] PI-45783 [0,1,0,0,0,0|0,0,1]=2 32 B7R0.8 CCCNS(=O)(=O)N PI-45807 [0,1,0,0,0,0|2,0,0]=3 33 B7R0.8 CCCNS(=O)(=O)[NH-] PI-43283 [0,1,0,0,0,0|2,0,0]=3 34 B7R0.8 CCCNS(=O)(=O)[NH-] PI-46000 [0,1,0,0,0,0|2,0,0]=3 35 B7R0.8 NCCOP(=O)(O)O PI-15898 [0,1,0,0,0,0|2,0,1]=4 36 B7R0.8 O=S(CCCN)(O)=O PI-42473 [0,1,0,0,0,0|1,0,0]=2 37 B7R0.9 O=S(OC(N)=N)(O)=O PI-37315 [0,1,0,0,0,0|2,0,1]=4 38 B7R0.14 CCC(C)S(=O)(=O)Cl PI-23027 [0,1,0,0,0,0|2,0,0]=3 39 B7R1.14 O=S1(=O)CCCO1 PI-32116 [0,0,0,1,0,0|1,0,0]=2 40 B7R1.14 O=S1(=O)OCCO1 PI-36774 [0,0,0,1,0,0|2,0,0]=3 41 B7R1.26 ClS(=O)(=O)C1CC1 PI-28141 [0,0,0,1,0,0|2,0,0]=3 42 B4R0.1 CCB(O)O PI-25578 [2,0,0,0,0,0|1,0,1]=4 43 B4R0.1 CCC(C)O PI-15619 [2,0,0,0,0,0|2,0,0]=4 44 B4R0.2 C(CN)CS PI-39174 [2,0,0,0,0,0|2,0,0]=4 45 B4R0.2 C(CO)CBr PI-15814 [2,0,0,0,0,0|2,0,0]=4 46 B4R0.2 C(CO)CI PI-50488 [2,0,0,0,0,0|2,0,0]=4 47 B4R0.2 C(CS)CS PI-11004 [2,0,0,0,0,0|1,1,0]=4 48 B4R0.2 OCCCS PI-39546 [2,0,0,0,0,0|1,0,0]=3 49 B4R0.3 NS(=O)(=O)Cl PI-36528 [2,0,0,0,0,0|2,0,0]=4 50 B4R0.3 NS(=O)(=O)N PI-12145 [2,0,0,0,0,0|2,0,0]=4 51 B4R0.3 [O-]S(=O)(=O)C PI-38597 [2,0,0,0,0,0|0,0,1]=3 52 B6R0.1 C(CS)C(=O)NN PI-50543 [1,1,0,0,0,0|2,0,0]=4 53 B6R0.1 COC(=O)CCN PI-31148 [1,1,0,0,0,0|2,0,0]=4 54 B6R0.1 O=C(OC)CCO PI-41038 [1,1,0,0,0,0|1,1,0]=4 55 B6R0.2 CC(CC(=O)O)N PI-35438 [1,1,0,0,0,0|2,0,0]=4 56 B6R0.2 CC(CC(=O)O)N PI-35481 [1,1,0,0,0,0|2,0,0]=4 57 B6R0.2 CC(CC(=O)O)N PI-43821 [1,1,0,0,0,0|2,0,0]=4 58 B6R0.2 CC(CC(=O)O)O PI-47070 [1,1,0,0,0,0|1,1,0]=4 59 B6R0.2 C[C@@H](N)CC(O)=O PI-42153 [1,1,0,0,0,0|2,0,0]=4 60 B6R0.2 C[C@H](N)CC(O)=O PI-35439 [1,1,0,0,0,0|2,0,0]=4 61 B6R0.3 C(C(C(=O)O)Br)Br PI-44609 [1,1,0,0,0,0|2,0,0]=4 62 B6R0.3 C(C(C(=O)O)N)N PI-31828 [1,1,0,0,0,0|2,0,0]=4 63 B6R0.3 C(C(C(=O)O)N)N PI-35715 [1,1,0,0,0,0|2,0,0]=4 64 B6R0.3 C(C(C(=O)O)N)N PI-35737 [1,1,0,0,0,0|2,0,0]=4 65 B6R0.3 C(C(C(=O)O)N)S PI-15750 [1,1,0,0,0,0|1,0,0]=3 66 B6R0.3 C(C(C(=O)O)O)N PI-12867 [1,1,0,0,0,0|2,0,0]=4 67 B6R0.3 CCC(C(=O)O)N PI-28320 [1,1,0,0,0,0|2,0,0]=4 68 B6R0.3 CCC(C(=O)O)N PI-43844 [1,1,0,0,0,0|2,0,0]=4 69 B6R0.3 CC[C@@H](C(=O)O)N PI-10518 [1,1,0,0,0,0|2,0,0]=4 70 B6R0.3 CC[C@H](C)C(=O)O PI-48349 [1,1,0,0,0,0|2,0,0]=4 71 B6R0.3 NC(C(=O)O)CN PI-10165 [1,1,0,0,0,0|2,0,0]=4 72 B6R0.3 NC(C(=O)O)CN PI-35820 [1,1,0,0,0,0|2,0,0]=4 73 B6R0.3 NC(CO)C(O)=O PI-35846 [1,1,0,0,0,0|1,1,0]=4 74 B6R0.3 NC(CS)C(=O)O PI-15748 [1,1,0,0,0,0|1,0,0]=3 75 B6R0.3 NCC(C(=O)O)O PI-38395 [1,1,0,0,0,0|2,0,0]=4 76 B6R0.3 N[C@H](C(=O)O)CS PI-36763 [1,1,0,0,0,0|1,0,0]=3 77 B6R0.3 N[C@H](CS)C(=O)O PI-18970 [1,1,0,0,0,0|1,0,0]=3 78 B6R0.3 N[C@H](CS)C(O)=O PI-42401 [1,1,0,0,0,0|1,0,0]=3 79 B6R0.3 O=C(O)C(C)CN PI-42145 [1,1,0,0,0,0|2,0,0]=4 80 B6R0.3 OC[C@@H](N)C(=O)O PI-14287 [1,1,0,0,0,0|1,1,0]=4 81 B6R0.4 C#CCCC(=O)O PI-30018 [1,1,0,0,0,0|2,0,0]=4 82 B6R0.4 C(CC(=O)O)C#N PI-35487 [1,1,0,0,0,0|2,0,0]=4 83 B6R0.4 CC(NCCS)=O PI-37034 [1,1,0,0,0,0|2,0,0]=4 84 B6R0.4 CCNCC(=O)O PI-43211 [1,1,0,0,0,0|2,0,0]=4 85 B6R0.4 CSCCC(=O)O PI-31992 [1,1,0,0,0,0|1,0,0]=3 86 B6R0.4 NCCCC(=O)O PI-35917 [1,1,0,0,0,0|2,0,0]=4 87 B6R0.4 O=C(O)CCCBr PI-40017 [1,1,0,0,0,0|2,0,0]=4 88 B6R0.4 O=C(O)CCCCl PI-41227 [1,1,0,0,0,0|2,0,0]=4 89 B6R0.7 CN(C)S(=O)(=O)C PI-29972 [1,1,0,0,0,0|2,0,0]=4 90 B6R0.7 CN(C)S(=O)(=O)N PI-36527 [1,1,0,0,0,0|2,0,0]=4 91 B6R0.8 CCS(=O)(=O)C=C PI-24192 [1,1,0,0,0,0|1,0,0]=3 92 B6R0.8 CCS(=O)(=O)CC PI-30756 [1,1,0,0,0,0|1,0,0]=3 93 B8R0.21 CCCCOS(=O)(=O)C PI-25287 [0,2,0,0,0,0|2,0,0]=4 94 B8R0.21 CS(=O)(OCCOC)=O PI-37108 [0,2,0,0,0,0|1,1,0]=4 95 B8R0.24 C(C(CS(=O)(=O)[O-])S)S PI-39664 [0,2,0,0,0,0|0,0,1]=3 96 B6R1.2 C1CSCC1=O PI-11167 [1,0,0,1,0,0|2,0,0]=4 97 B6R1.2 C1CSCC1O PI-48171 [1,0,0,1,0,0|2,0,0]=4 98 B8R1.51 C1C(CS(=O)(=O)O1)Br PI-34765 [0,1,0,1,0,0|1,0,0]=3 99 B8R1.51 CC1COS(=O)(=O)O1 PI-36914 [0,1,0,1,0,0|1,0,0]=3 100 B8R1.51 C[C@@H]1COS(=O)(=O)O1 PI-48357 [0,1,0,1,0,0|1,0,0]=3 101 B8R1.72 C1CS(=O)(=O)CCN1 PI-17981 [0,1,0,1,0,0|2,0,0]=4 102 B8R1.72 O=S1(=O)CCCCO1 PI-36820 [0,1,0,1,0,0|1,0,0]=3 103 B8R1.72 O=S1(=O)CCNCC1 PI-17980 [0,1,0,1,0,0|2,0,0]=4 104 B8R1.70 CC1(CC1)S(=O)(=O)N PI-36601 [0,1,0,1,0,0|2,0,0]=4