0 B6R0.4 C(CC(=O)O)CN S4700 [0,0,0,0,0,0|3,0,0]=3 1 B6R0.4 C(CC(=O)O)CN S4700 [0,0,0,0,0,0|3,0,0]=3 2 B6R0.4 C=CCCC(=O)O S6268 [0,0,0,0,0,0|2,0,2]=4 3 B6R0.4 CSCCC(=O)O S6341 [0,0,0,0,0,0|3,0,0]=3 4 B5R0.1 C(C(=O)O)ON S4989 [1,0,0,0,0,0|3,0,0]=4 5 B5R0.1 C(CN)C(=O)O S5526 [1,0,0,0,0,0|2,0,0]=3 6 B5R0.1 CCCC(=O)[O-] S1999 [1,0,0,0,0,0|1,0,0]=2 7 B5R0.1 CCCC(=O)[O-] S1999 [1,0,0,0,0,0|1,0,0]=2 8 B5R0.1 CCOC(=O)N S4544 [1,0,0,0,0,0|1,0,0]=2 9 B5R0.1 CCOC(=O)N S4544 [1,0,0,0,0,0|1,0,0]=2 10 B5R0.1 CNCC(=O)O S4702 [1,0,0,0,0,0|2,0,0]=3 11 B5R0.1 CNCC(=O)O S4702 [1,0,0,0,0,0|2,0,0]=3 12 B7R0.2 CCC(C)CC(=O)O S6089 [0,1,0,0,0,0|2,0,0]=3 13 B7R0.3 COC(=O)CCCN S6066 [0,1,0,0,0,0|2,0,0]=3 14 B7R0.4 CCCCCC(C)N S4520 [0,1,0,0,0,0|2,0,1]=4 15 B7R0.4 CCCCCC(C)N S4520 [0,1,0,0,0,0|2,0,1]=4 16 B7R0.5 CCC=C(C)C(=O)O S6327 [0,1,0,0,0,0|2,0,1]=4 17 B7R0.5 CCCC(C(=O)O)N S6334 [0,1,0,0,0,0|2,0,0]=3 18 B7R0.5 CCOC(=O)C(=O)C S6243 [0,1,0,0,0,0|2,0,0]=3 19 B7R0.5 CSCC(C(=O)O)N S4786 [0,1,0,0,0,0|3,0,0]=4 20 B7R0.6 CC(=O)CCC(=O)O S6207 [0,1,0,0,0,0|2,0,1]=4 21 B7R0.6 CC(C)CCC(=O)O S6278 [0,1,0,0,0,0|2,0,0]=3 22 B7R0.8 C(COP(=O)(O)O)N S6483 [0,1,0,0,0,0|3,0,0]=4 23 B7R1.3 C1CCC(=O)CC1 S6236 [0,0,0,1,0,0|1,0,0]=2 24 B7R1.18 C1CNC1C(=O)O S5572 [0,0,0,1,0,0|3,0,0]=4 25 B4R0.1 C(C(=O)O)N S4821 [2,0,0,0,0,0|2,0,0]=4 26 B4R0.1 C(C(=O)O)O S1826 [2,0,0,0,0,0|2,0,0]=4 27 B4R0.1 C(C(=O)O)O S1826 [2,0,0,0,0,0|2,0,0]=4 28 B4R0.1 C(C(=O)O)O S1826 [2,0,0,0,0,0|2,0,0]=4 29 B4R0.1 C(C(=O)O)O S6272 [2,0,0,0,0,0|2,0,0]=4 30 B4R0.1 C(C(=O)O)[NH-] S7448 [2,0,0,0,0,0|2,0,0]=4 31 B4R0.1 C(C(=O)O)[NH-] S7448 [2,0,0,0,0,0|2,0,0]=4 32 B4R0.1 C(C(=O)[O-])N S6436 [2,0,0,0,0,0|2,0,0]=4 33 B4R0.1 C(C(=O)[O-])N S6449 [2,0,0,0,0,0|2,0,0]=4 34 B4R0.1 CC(=O)NO S4602 [2,0,0,0,0,0|2,0,0]=4 35 B4R0.1 CC(=O)NO S4602 [2,0,0,0,0,0|2,0,0]=4 36 B4R0.2 CSCC=C S6204 [2,0,0,0,0,0|1,0,1]=4 37 B6R0.1 COC(=O)CCN S6219 [1,1,0,0,0,0|1,0,0]=3 38 B6R0.2 CC(C)CC(=O)N S4116 [1,1,0,0,0,0|1,0,0]=3 39 B6R0.2 CC(C)CC(=O)O S6287 [1,1,0,0,0,0|1,0,0]=3 40 B6R0.2 CC(CC(=O)O)O S1031 [1,1,0,0,0,0|1,0,0]=3 41 B6R0.2 CN(C)CC(=O)O S6056 [1,1,0,0,0,0|2,0,0]=4 42 B6R0.3 C(C(C(=O)O)N)O S5545 [1,1,0,0,0,0|2,0,0]=4 43 B6R0.3 C(C(C(=O)O)N)O S6224 [1,1,0,0,0,0|2,0,0]=4 44 B6R0.3 C(C(C(=O)O)N)O S9353 [1,1,0,0,0,0|2,0,0]=4 45 B6R0.3 C(C(C(=O)O)N)S S4815 [1,1,0,0,0,0|2,0,0]=4 46 B6R0.3 C(C(C(=O)O)N)S S5635 [1,1,0,0,0,0|2,0,0]=4 47 B6R0.3 CC(CN)C(=O)O S6134 [1,1,0,0,0,0|2,0,0]=4 48 B6R0.3 CCC(=O)C(=O)O S6329 [1,1,0,0,0,0|1,0,1]=4 49 B6R0.3 CCC(C(=O)O)N S6203 [1,1,0,0,0,0|1,0,0]=3 50 B6R0.3 CCC(C(=O)O)N S6330 [1,1,0,0,0,0|1,0,0]=3 51 B6R0.3 CCC(C(=O)O)O S6119 [1,1,0,0,0,0|1,0,0]=3 52 B6R0.6 C(COCCBr)O S1686 [1,1,0,0,0,0|1,0,1]=4 53 B6R0.6 C(COCCN)N S1800 [1,1,0,0,0,0|1,0,1]=4 54 B6R0.6 CCC=CCCO S6059 [1,1,0,0,0,0|2,0,0]=4 55 B6R0.6 CCCC=CC=O S6303 [1,1,0,0,0,0|1,0,0]=3 56 B8R0.2 CCC(C)C(C(=O)O)N S3752 [0,2,0,0,0,0|2,0,0]=4 57 B8R0.5 CCOC(=O)CC(=O)C S6024 [0,2,0,0,0,0|1,0,1]=4 58 B8R0.16 C(C(CCl)OC(=O)N)Cl S6828 [0,2,0,0,0,0|2,0,0]=4 59 B8R0.16 C(C(CCl)OC(=O)N)Cl S6828 [0,2,0,0,0,0|2,0,0]=4 60 B8R0.23 CC(C)C(CC(=O)O)N S6142 [0,2,0,0,0,0|2,0,0]=4 61 B8R0.23 CC(C)CC(C(=O)O)N S3753 [0,2,0,0,0,0|2,0,0]=4 62 B8R0.23 CC(C)CC(C(=O)O)O S6046 [0,2,0,0,0,0|2,0,0]=4 63 B8R0.8 C(CC(C(=O)O)N)CN S4653 [0,2,0,0,0,0|2,0,0]=4 64 B8R0.8 C(CC(C(=O)O)N)CN S4653 [0,2,0,0,0,0|2,0,0]=4 65 B8R0.8 CCCCC(C)C(=O)O S6079 [0,2,0,0,0,0|1,0,1]=4 66 B8R0.8 CSCCC(C(=O)O)N S5633 [0,2,0,0,0,0|2,0,0]=4 67 B8R0.8 CSCCC(C(=O)O)N S9344 [0,2,0,0,0,0|2,0,0]=4 68 B8R0.8 C[Se]CCC(C(=O)O)N S3973 [0,2,0,0,0,0|2,0,0]=4 69 B8R0.7 C(CCC(=O)O)CCN S1671 [0,2,0,0,0,0|2,0,0]=4 70 B8R0.7 C(CCC(=O)O)CCN S1671 [0,2,0,0,0,0|2,0,0]=4 71 B8R0.7 C(CCC(=O)O)CCN S1671 [0,2,0,0,0,0|2,0,0]=4 72 B8R0.7 C(COCCN)C(=O)O S1872 [0,2,0,0,0,0|2,0,0]=4 73 B6R1.2 CN1CCCC1 S6216 [1,0,0,1,0,0|2,0,0]=4 74 B8R1.1 CCC1CCC(=O)O1 S6265 [0,1,0,1,0,0|0,0,0]=2 75 B8R1.7 C1CC(NC1)C(=O)O S5629 [0,1,0,1,0,0|2,0,0]=4 76 B8R1.7 C1CC(NC1)C(=O)O S6016 [0,1,0,1,0,0|2,0,0]=4