smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCN1C(=O)[C@H]2[C@H](c3ccccc3[O-])[NH2+][C@@](C)(C(=O)[O-])[C@@H]2C1=O	ZINC000004580760	210226595	/nfs/dbraw/zinc/22/65/95/210226595.db2.gz	CKKSMJUTOODXSR-KHSSZTOVSA-N	-1	3	346.383	1.281	2	10		EDCFHM
CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](c1ccccc1[O-])[NH2+][C@@]2(C)C(=O)[O-]	ZINC000019848801	212076712	/nfs/dbraw/zinc/07/67/12/212076712.db2.gz	CKKSMJUTOODXSR-UYAYXHRUSA-N	-1	3	346.383	1.281	2	10		EDCFHM
CNC(=O)c1cccc(Nc2c(=O)c(=O)c2Nc2ccccc2)c1[O-]	ZINC000036143776	213072998	/nfs/dbraw/zinc/07/29/98/213072998.db2.gz	ATDABLOHIJXMSF-NMGXZBPKSA-N	-1	3	337.335	1.503	1	10		EDCFHM
CC(=O)[C@H]1OC(=O)c2cc(O)cc([O-])c2[C@@H]1c1ccc(O)c(O)c1	ZINC000073222266	216367363	/nfs/dbraw/zinc/36/73/63/216367363.db2.gz	GQZNTVVDWGNHRK-GOEBONIOSA-N	-1	3	330.292	1.769	1	10		EDCFHM
CN(C)C(=O)c1cccc(Nc2c(=O)c(=O)c2NC(C)(C)C)c1[O-]	ZINC000036143785	213072808	/nfs/dbraw/zinc/07/28/08/213072808.db2.gz	ITMVRNAVFXMQQQ-ZAORYEFMSA-N	-1	3	331.372	1.312	1	10		EDCFHM
CC(=O)[C@@H]1OC(=O)c2cc(O)cc([O-])c2[C@@H]1c1ccc(O)c(O)c1	ZINC000073222264	216366555	/nfs/dbraw/zinc/36/65/55/216366555.db2.gz	GQZNTVVDWGNHRK-HOCLYGCPSA-N	-1	3	330.292	1.769	1	10		EDCFHM
NCC(=O)Oc1cc([O-])c2c(c1)O[C@H](c1ccc(O)c(O)c1)CC2=O	ZINC000069482313	290965864	/nfs/dbraw/zinc/96/58/64/290965864.db2.gz	KUJPZLXEPPAGJG-AWEZNQCLSA-N	-1	3	345.307	1.374	1	10	biogenic,in-vitro	EDCFHM
COc1cc([O-])c2c(c1C)C(=O)N(c1ccc(S(N)(=O)=O)cc1)C2	ZINC000028950819	202179390	/nfs/dbraw/zinc/17/93/90/202179390.db2.gz	JYPIEARYFHYINV-UHFFFAOYSA-N	-1	3	348.380	1.517	1	10		EDCFHM