smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=C/C1=C/[C@H](C)[C@](C)(OC(C)=O)C(=O)OCC2=CC[N@+]3(C)CC[C@@H](OC1=O)[C@@]23O	ZINC000256641458	559076194	/nfs/dbraw/zinc/07/61/94/559076194.db2.gz	NEHWGXHBNGZJNY-YURRJFOASA-N	1	0	406.455	1.004	10	5		HDBERO
CC1(C)O[C@H]2O[C@H](COCCC[N+]3(C)CCOCC3)[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O1	ZINC000039715226	717127432	/nfs/dbraw/zinc/12/74/32/717127432.db2.gz	HEDMXDOBNBRDRZ-DISONHOPSA-N	1	0	402.508	1.266	10	5		HDBERO
CC[N+]1(CCCOC[C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@H]32)CCOCC1	ZINC000039715227	717127232	/nfs/dbraw/zinc/12/72/32/717127232.db2.gz	YQIHGMYTSJICMA-ICBNADEASA-N	1	0	416.535	1.657	10	5		HDBERO
CC(C)[N+]1(CCOC[C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@H]32)CCOCC1	ZINC000039715208	717127336	/nfs/dbraw/zinc/12/73/36/717127336.db2.gz	LTLVFHTYTDUKAA-ICBNADEASA-N	1	0	416.535	1.655	10	5		HDBERO
C=C/C1=C/[C@H](C)[C@](C)(OC(C)=O)C(=O)OCC2=CC[N@+]3(C)CC[C@H](OC1=O)[C@]23O	ZINC000725440952	717188841	/nfs/dbraw/zinc/18/88/41/717188841.db2.gz	NEHWGXHBNGZJNY-RQDSZKFQSA-N	1	0	406.455	1.004	10	5		HDBERO
C=C/C1=C/[C@H](C)[C@](C)(OC(C)=O)C(=O)OCC2=CC[N@@+]3(C)CC[C@@H](OC1=O)[C@@]23O	ZINC000256641449	559076231	/nfs/dbraw/zinc/07/62/31/559076231.db2.gz	NEHWGXHBNGZJNY-XGEHUAEVSA-N	1	0	406.455	1.004	10	5		HDBERO
CCC[N+]1(CCOC[C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@H]32)CCOCC1	ZINC000039715209	717127514	/nfs/dbraw/zinc/12/75/14/717127514.db2.gz	RSFINIFHBBILAK-ICBNADEASA-N	1	0	416.535	1.657	10	5		HDBERO
CC[N+]1(CCOC[C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@H]32)CCOCC1	ZINC000039715207	717127438	/nfs/dbraw/zinc/12/74/38/717127438.db2.gz	CUJCQXFXJANCDW-DISONHOPSA-N	1	0	402.508	1.266	10	5		HDBERO
C=C/C1=C/[C@H](C)[C@](C)(OC(C)=O)C(=O)OCC2=CC[N@+]3(C)CC[C@H](OC1=O)[C@@]23O	ZINC000725440949	717188771	/nfs/dbraw/zinc/18/87/71/717188771.db2.gz	NEHWGXHBNGZJNY-QLKHMJNTSA-N	1	0	406.455	1.004	10	5		HDBERO