0 B5R0.1 C(CN)C(=O)O S5526 [1,0,0,0,0,0|2,0,1]=4 1 B5R0.1 CCCC(=O)[O-] S1999 [1,0,0,0,0,0|1,0,1]=3 2 B5R0.1 CCCC(=O)[O-] S1999 [1,0,0,0,0,0|1,0,1]=3 3 B5R0.1 CCOC(=O)N S4544 [1,0,0,0,0,0|2,0,0]=3 4 B5R0.1 CCOC(=O)N S4544 [1,0,0,0,0,0|2,0,0]=3 5 B5R0.1 CNCC(=O)O S4702 [1,0,0,0,0,0|2,0,1]=4 6 B5R0.1 CNCC(=O)O S4702 [1,0,0,0,0,0|2,0,1]=4 7 B7R0.5 CCC=C(C)C(=O)O S6327 [0,1,0,0,0,0|0,0,0]=1 8 B7R0.5 CCCC(C(=O)O)N S6334 [0,1,0,0,0,0|1,0,2]=4 9 B7R0.5 CCOC(=O)C(=O)C S6243 [0,1,0,0,0,0|2,0,0]=3 10 B7R1.4 C=C1CCOC1=O S5148 [0,0,0,1,0,0|1,0,2]=4 11 B7R1.4 CC1C(=O)CCO1 S6274 [0,0,0,1,0,0|1,0,1]=3 12 B7R1.4 CN1CCCC1=O S6282 [0,0,0,1,0,0|1,0,1]=3 13 B4R0.1 C(C(=O)O)N S4821 [2,0,0,0,0,0|2,0,0]=4 14 B4R0.1 C(C(=O)O)O S1826 [2,0,0,0,0,0|2,0,0]=4 15 B4R0.1 C(C(=O)O)O S1826 [2,0,0,0,0,0|2,0,0]=4 16 B4R0.1 C(C(=O)O)O S1826 [2,0,0,0,0,0|2,0,0]=4 17 B4R0.1 C(C(=O)O)O S6272 [2,0,0,0,0,0|2,0,0]=4 18 B4R0.1 C(C(=O)O)[NH-] S7448 [2,0,0,0,0,0|2,0,0]=4 19 B4R0.1 C(C(=O)O)[NH-] S7448 [2,0,0,0,0,0|2,0,0]=4 20 B4R0.1 C(C(=O)[O-])N S6436 [2,0,0,0,0,0|2,0,0]=4 21 B4R0.1 C(C(=O)[O-])N S6449 [2,0,0,0,0,0|2,0,0]=4 22 B4R0.1 C=CC(=O)N S6227 [2,0,0,0,0,0|1,0,1]=4 23 B4R0.1 CC(=O)NO S4602 [2,0,0,0,0,0|2,0,0]=4 24 B4R0.1 CC(=O)NO S4602 [2,0,0,0,0,0|2,0,0]=4 25 B4R0.1 CN(C)C=O S6192 [2,0,0,0,0,0|1,0,0]=3 26 B4R0.2 CSCC=C S6204 [2,0,0,0,0,0|1,0,1]=4 27 B6R0.2 CC(=CC(=O)O)C S6247 [1,1,0,0,0,0|1,0,1]=4 28 B6R0.2 CC(C)CC(=O)N S4116 [1,1,0,0,0,0|1,0,1]=4 29 B6R0.2 CC(C)CC(=O)O S6287 [1,1,0,0,0,0|1,0,1]=4 30 B6R0.2 CC(CC(=O)O)O S1031 [1,1,0,0,0,0|1,0,1]=4 31 B6R0.3 C(C(=O)C(=O)O)Br S5426 [1,1,0,0,0,0|2,0,0]=4 32 B6R0.3 CC(=NO)C(=O)C S3699 [1,1,0,0,0,0|2,0,0]=4 33 B6R0.3 CC=C(C)C(=O)O S3789 [1,1,0,0,0,0|1,0,1]=4 34 B6R0.3 CC=C(C)C(=O)O S3803 [1,1,0,0,0,0|1,0,1]=4 35 B6R0.3 CCC(=O)C(=O)O S6329 [1,1,0,0,0,0|1,0,0]=3 36 B6R0.3 CCC(C(=O)O)N S6203 [1,1,0,0,0,0|1,0,1]=4 37 B6R0.3 CCC(C(=O)O)N S6330 [1,1,0,0,0,0|1,0,1]=4 38 B6R0.3 CCC(C(=O)O)O S6119 [1,1,0,0,0,0|1,0,1]=4 39 B6R0.4 C(CC(=O)O)CN S4700 [1,1,0,0,0,0|1,0,1]=4 40 B6R0.4 C(CC(=O)O)CN S4700 [1,1,0,0,0,0|1,0,1]=4 41 B6R0.4 CSCCC(=O)O S6341 [1,1,0,0,0,0|1,0,1]=4 42 B6R0.6 CCC=CCCO S6059 [1,1,0,0,0,0|0,0,2]=4 43 B6R0.6 CCCC=CC=O S6303 [1,1,0,0,0,0|0,0,0]=2 44 B8R0.5 CCOC(=O)CC(=O)C S6024 [0,2,0,0,0,0|2,0,0]=4 45 B8R0.5 CCOC(=O)CC(=O)[O-] S6222 [0,2,0,0,0,0|2,0,0]=4 46 B8R0.8 CCCCC(C)C(=O)O S6079 [0,2,0,0,0,0|0,0,2]=4 47 B6R1.2 CC1=CNN=C1 S1717 [1,0,0,1,0,0|2,0,0]=4 48 B6R1.2 CC1=CNN=C1 S1717 [1,0,0,1,0,0|2,0,0]=4 49 B8R1.1 CC1=CC=C(O1)C=O S9381 [0,1,0,1,0,0|1,0,1]=4 50 B8R1.18 CC1C(=O)C=C(O1)C S6298 [0,1,0,1,0,0|1,0,0]=3 51 B8R1.7 C1CC(NC1)C(=O)O S5629 [0,1,0,1,0,0|1,0,1]=4 52 B8R1.7 C1CC(NC1)C(=O)O S6016 [0,1,0,1,0,0|1,0,1]=4 53 B8R1.11 C=CN1CCCC1=O S4678 [0,1,0,1,0,0|2,0,0]=4 54 B8R1.11 C=CN1CCCC1=O S4678 [0,1,0,1,0,0|2,0,0]=4