HMDB0015149 RDKit 3D Balsalazide 41 42 0 0 0 0 0 0 0 0999 V2000 6.8734 1.6387 -0.5325 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2268 0.8990 0.4099 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9268 1.5962 1.4387 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0214 -0.5174 0.5775 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0194 -1.2681 -0.1722 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6335 -1.0563 0.0458 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7800 0.0222 -0.1147 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1367 1.1330 -0.5378 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3370 -0.1011 0.2263 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6115 1.0309 0.5656 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2579 0.9071 0.8724 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3775 -0.3118 0.8470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7502 -0.4965 1.1494 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7375 -0.2998 0.6510 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9341 -0.0707 0.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0927 0.0578 -1.3255 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3078 0.2893 -1.9070 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4575 0.4115 -1.1595 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6919 0.6435 -1.7078 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3333 0.2892 0.2226 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5475 0.4174 1.0284 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4490 0.3092 2.2745 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.7970 0.6517 0.4881 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1221 0.0580 0.8066 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3613 -1.4241 0.5072 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7124 -1.3156 0.1986 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7854 2.0362 1.1679 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9091 -0.7951 1.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0353 -1.0144 0.3515 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2279 -2.3747 -0.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1795 -1.0946 -1.2912 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0923 -1.9460 0.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1311 1.9789 0.5794 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3036 1.7921 1.1363 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2046 -0.0351 -1.9263 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4093 0.3853 -2.9837 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8187 0.7369 -2.6979 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0686 1.5252 0.0471 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9936 -0.0424 1.8866 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0769 -2.4111 0.4683 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2146 -2.2345 -0.0631 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 18 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 20 24 2 0 12 25 1 0 25 26 2 0 26 9 1 0 24 15 1 0 3 27 1 0 4 28 1 0 4 29 1 0 5 30 1 0 5 31 1 0 6 32 1 0 10 33 1 0 11 34 1 0 16 35 1 0 17 36 1 0 19 37 1 0 23 38 1 0 24 39 1 0 25 40 1 0 26 41 1 0 M END