KEGG:C11605 NAc-DNP-Cys ISISHOST03240423282D 1 1.00000 0.00000 12418 22 22 0 1 0 999 V2000 15.2889 -15.9455 0.0000 C 0 0 0 0 0 0 0 0 0 16.0120 -15.5224 0.0000 C 0 0 0 0 0 0 0 0 0 16.0036 -14.6834 0.0000 C 0 0 0 0 0 0 0 0 0 15.2742 -14.2712 0.0000 C 0 0 0 0 0 0 0 0 0 14.5510 -14.6987 0.0000 C 0 0 0 0 0 0 0 0 0 14.5573 -15.5340 0.0000 C 0 0 0 0 0 0 0 0 0 15.2976 -16.7890 0.0000 N 0 3 0 0 0 0 0 0 0 16.7265 -14.2627 0.0000 N 0 3 0 0 0 0 0 0 0 14.5766 -17.2200 0.0000 O 0 5 0 0 0 0 0 0 0 16.0258 -17.2073 0.0000 O 0 0 0 0 0 0 0 0 0 17.4548 -14.6810 0.0000 O 0 5 0 0 0 0 0 0 0 16.7199 -13.4311 0.0000 O 0 0 0 0 0 0 0 0 0 15.2767 -13.4359 0.0000 S 0 0 0 0 0 0 0 0 0 16.6738 -11.7957 0.0000 N 0 0 0 0 0 0 0 0 0 17.3839 -12.1973 0.0000 C 0 0 0 0 0 0 0 0 0 17.3839 -13.0115 0.0000 O 0 0 0 0 0 0 0 0 0 18.0857 -11.7885 0.0000 C 0 0 0 0 0 0 0 0 0 15.9776 -12.2110 0.0000 C 0 0 2 0 0 0 0 0 0 15.2675 -11.8053 0.0000 C 0 0 0 0 0 0 0 0 0 14.5671 -12.2206 0.0000 O 0 0 0 0 0 0 0 0 0 15.2620 -10.9928 0.0000 O 0 0 0 0 0 0 0 0 0 15.9831 -13.0235 0.0000 C 0 0 0 0 0 0 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 7 9 1 0 0 0 5 6 2 0 0 0 13 4 1 0 0 0 7 10 2 0 0 0 6 1 1 0 0 0 8 11 1 0 0 0 1 7 1 0 0 0 1 2 2 0 0 0 8 12 2 0 0 0 3 8 1 0 0 0 2 3 1 0 0 0 15 17 1 0 0 0 19 21 2 0 0 0 14 15 1 0 0 0 18 22 1 1 0 0 14 18 1 0 0 0 22 13 1 0 0 0 15 16 2 0 0 0 18 19 1 0 0 0 19 20 1 0 0 0 M CHG 4 7 1 8 1 9 -1 11 -1 M END