smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)(C)OC(=O)NCC(=O)OC[C@H]1O[C@H](O)[C@H](O)[C@H](O)[C@@H]1O	ZINC000217358986	534873066	/nfs/dbraw/zinc/87/30/66/534873066.db2.gz	JCDVXIPESUHXEV-QVDPWDGTSA-N	0	0	337.325	-2.146	40	70		EAIBRN
CC12CN3CC(C)(CN(C1)C3[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO)C2=O	ZINC000217410744	414908703	/nfs/dbraw/zinc/90/87/03/414908703.db2.gz	RNZZLJJRTGHUGN-FSHGMNJXSA-N	0	0	330.381	-3.025	40	70		EAIBRN
O=C1[C@H]2[C@@H](C(=O)N1CCO)[C@H]1C=C[C@@H]2[C@@H]2C(=O)N(CCO)C(=O)[C@H]21	ZINC000217506875	304719371	/nfs/dbraw/zinc/71/93/71/304719371.db2.gz	IYRBGBHQRCADLS-LIPDQUKKSA-N	0	0	334.328	-2.011	40	70		EAIBRN
O=C1[C@H]2[C@@H](C(=O)N1CCO)[C@H]1C=C[C@@H]2[C@@H]2C(=O)N(CCO)C(=O)[C@@H]21	ZINC000217506977	374544009	/nfs/dbraw/zinc/54/40/09/374544009.db2.gz	IYRBGBHQRCADLS-KUDAMMAASA-N	0	0	334.328	-2.011	40	70		EAIBRN
O=C1[C@H]2[C@H](C(=O)N1CCO)[C@H]1C=C[C@@H]2[C@@H]2C(=O)N(CCO)C(=O)[C@@H]21	ZINC000217507071	374543324	/nfs/dbraw/zinc/54/33/24/374543324.db2.gz	IYRBGBHQRCADLS-OHUUWBQVSA-N	0	0	334.328	-2.011	40	70		EAIBRN