0 B6R0.6 C#CCOCCN S1946 [0,0,0,0,0,0|2,0,2]=4 1 B6R0.6 C#CCOCCO S1780 [0,0,0,0,0,0|1,0,2]=3 2 B6R0.6 C(CCN)CCN S6357 [0,0,0,0,0,0|2,0,0]=2 3 B6R0.6 C(COCCBr)O S1686 [0,0,0,0,0,0|2,0,0]=2 4 B6R0.6 C(COCCN)N S1800 [0,0,0,0,0,0|3,0,0]=3 5 B6R0.6 CCC=CCCO S6059 [0,0,0,0,0,0|0,0,2]=2 6 B6R0.6 CCCC=CC=O S6303 [0,0,0,0,0,0|0,0,4]=4 7 B5R0.2 C(CCN)CN S5344 [1,0,0,0,0,0|2,0,0]=3 8 B5R0.2 C(CCN)CN S5825 [1,0,0,0,0,0|2,0,0]=3 9 B5R0.2 C(CCN)CN S5825 [1,0,0,0,0,0|2,0,0]=3 10 B7R0.1 C(CSSCCN)N S3695 [0,1,0,0,0,0|3,0,0]=4 11 B7R0.1 C(CSSCCO)N S0683 [0,1,0,0,0,0|2,0,0]=3 12 B7R0.1 COCCOCCN S0639 [0,1,0,0,0,0|2,0,0]=3 13 B7R0.3 COC(=O)CCCN S6066 [0,1,0,0,0,0|2,0,1]=4 14 B7R0.4 CCCCCC(C)N S4520 [0,1,0,0,0,0|1,0,0]=2 15 B7R0.4 CCCCCC(C)N S4520 [0,1,0,0,0,0|1,0,0]=2 16 B7R0.7 CN(CCCl)CCCl S4252 [0,1,0,0,0,0|3,0,0]=4 17 B7R1.3 C1CCC(=O)CC1 S6236 [0,0,0,1,0,0|0,0,2]=3 18 B7R1.4 CC1C(=O)CCO1 S6274 [0,0,0,1,0,0|1,0,2]=4 19 B7R1.4 CN1CCCC1=O S6282 [0,0,0,1,0,0|1,0,2]=4 20 B6R0.4 C(CC(=O)O)CN S4700 [1,1,0,0,0,0|1,0,1]=4 21 B6R0.4 C(CC(=O)O)CN S4700 [1,1,0,0,0,0|1,0,1]=4 22 B6R0.4 CSCCC(=O)O S6341 [1,1,0,0,0,0|1,0,1]=4 23 B8R0.7 C(CCC(=O)O)CCN S1671 [0,2,0,0,0,0|0,0,1]=3 24 B8R0.7 C(CCC(=O)O)CCN S1671 [0,2,0,0,0,0|0,0,1]=3 25 B8R0.7 C(CCC(=O)O)CCN S1671 [0,2,0,0,0,0|0,0,1]=3 26 B8R0.7 C(COCCN)C(=O)O S1872 [0,2,0,0,0,0|1,0,1]=4 27 B8R0.8 C(CC(C(=O)O)N)CN S4653 [0,2,0,0,0,0|1,0,1]=4 28 B8R0.8 C(CC(C(=O)O)N)CN S4653 [0,2,0,0,0,0|1,0,1]=4 29 B8R0.8 CCCCC(C)C(=O)O S6079 [0,2,0,0,0,0|0,0,1]=3 30 B8R0.8 CSCCC(C(=O)O)N S5633 [0,2,0,0,0,0|1,0,1]=4 31 B8R0.8 CSCCC(C(=O)O)N S9344 [0,2,0,0,0,0|1,0,1]=4 32 B8R0.8 C[Se]CCC(C(=O)O)N S3973 [0,2,0,0,0,0|1,0,1]=4 33 B8R0.28 CC(C)CCCC(C)N S6477 [0,2,0,0,0,0|1,0,0]=3 34 B6R1.1 C1CNCCN1 S4574 [1,0,0,1,0,0|2,0,0]=4 35 B6R1.1 C1CNCCN1 S4574 [1,0,0,1,0,0|2,0,0]=4 36 B6R1.2 CN1CCCC1 S6216 [1,0,0,1,0,0|1,0,0]=3 37 B8R1.5 C1CCC(C(C1)[NH-])[NH-] S1224 [0,1,0,1,0,0|1,0,0]=3 38 B8R1.5 C1CCC(C(C1)[NH-])[NH-] S1224 [0,1,0,1,0,0|1,0,0]=3 39 B8R1.5 C1CCC(C(C1)[NH-])[NH-] S1224 [0,1,0,1,0,0|1,0,0]=3 40 B8R1.1 CCC1CCC(=O)O1 S6265 [0,1,0,1,0,0|0,0,1]=3 41 B8R1.4 CC1CCCC(N1)C S4992 [0,1,0,1,0,0|1,0,0]=3 42 B8R1.7 C1CC(NC1)C(=O)O S5629 [0,1,0,1,0,0|1,0,1]=4 43 B8R1.7 C1CC(NC1)C(=O)O S6016 [0,1,0,1,0,0|1,0,1]=4