smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])C[C@H](NC(=O)CNC(=O)c1cc(O)cc(NC2=[NH+]C[C@@H](O)CN2)c1)c1cc(Cl)cc(I)c1[O-]	ZINC000003941810	561689430	/nfs/dbraw/zinc/68/94/30/561689430.db2.gz	HHVOIWMCAIXSEA-KRWDZBQOSA-N	-1	1	631.811	1.150	1	10		KDCFMM
CCCCN(CCCC)C(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccn(C[P@](=O)([O-])O)c(=O)c1)NC(C)=O)C(C)C	ZINC000026674614	561813658	/nfs/dbraw/zinc/81/36/58/561813658.db2.gz	AEEYLQKEDPWZOH-APTRMMRNSA-N	-1	1	599.666	1.105	1	10		KDCFMM
O=C([O-])C[C@@H](NC(=O)CNC(=O)c1cc(O)cc(NC2=[NH+]C[C@H](O)CN2)c1)c1cc(Cl)cc(I)c1[O-]	ZINC000028714289	561954907	/nfs/dbraw/zinc/95/49/07/561954907.db2.gz	HHVOIWMCAIXSEA-QGZVFWFLSA-N	-1	1	631.811	1.150	1	10		KDCFMM
Nc1cc(NC2=[NH+]C[C@@H](O)CN2)cc(C(=O)NCC(=O)N[C@H](CC(=O)[O-])c2cc(Cl)cc(I)c2[O-])c1	ZINC000028714299	561954994	/nfs/dbraw/zinc/95/49/94/561954994.db2.gz	ANPKMPZUZYQLPH-QGZVFWFLSA-N	-1	1	630.827	1.026	1	10		KDCFMM
COC(=O)c1c(C)ccc2c([O-])c3c(cc21)C(=O)c1c2c(cc(O)c1C3=O)[C@@]1(C)O[C@@H](O2)[C@@H](O)[C@H](N(C)C)[C@H]1O	ZINC000044351691	562654808	/nfs/dbraw/zinc/65/48/08/562654808.db2.gz	ZIOYGSZIUMVQSO-CWOXXLDKSA-N	-1	1	549.532	1.737	1	10		KDCFMM
COC(=O)[C@@H]1c2cc3c(c([O-])c2[C@@H](SC)C[C@]1(C)O)C(=O)c1c(O)cc2c(c1C3=O)O[C@@H]1O[C@@]2(C)[C@H](O)[C@@H](N(C)C)[C@@H]1O	ZINC000044351711	562654825	/nfs/dbraw/zinc/65/48/25/562654825.db2.gz	WMXVARAIQDCNTH-KCTIBYJUSA-N	-1	1	615.657	1.305	1	10		KDCFMM
CC(C)O[C@H]1C[C@@](C)(O)Cc2cc3c(c([O-])c21)C(=O)c1c(O)cc2c(c1C3=O)O[C@@H]1O[C@@]2(C)[C@H](O)[C@@H](N(C)C)[C@@H]1O	ZINC000044406102	562656776	/nfs/dbraw/zinc/65/67/76/562656776.db2.gz	QLADUUPQHDJAAB-LPMDVAFNSA-N	-1	1	569.607	1.652	1	10		KDCFMM
CCCO[C@H]1C[C@@](C)(O)[C@H](C(=O)OC)c2cc3c(c([O-])c21)C(=O)c1c(O)cc2c(c1C3=O)O[C@@H]1O[C@@]2(C)[C@H](O)[C@@H](N(C)C)[C@@H]1O	ZINC000049889428	562692104	/nfs/dbraw/zinc/69/21/04/562692104.db2.gz	FIFTYESPGBURPJ-KJDIZCGHSA-N	-1	1	627.643	1.368	1	10		KDCFMM
O=C([O-])C[C@H](NC(=O)CNC(=O)c1cccc(NC2=[NH+]C[C@H](O)CN2)c1)c1cc(Cl)cc(I)c1[O-]	ZINC000053224578	562696511	/nfs/dbraw/zinc/69/65/11/562696511.db2.gz	XKDMJLUJUJKDAI-KRWDZBQOSA-N	-1	1	615.812	1.444	1	10		KDCFMM
CO[C@H]1[C@H](O[C@H]2C[C@](C)(O)Cc3cc4c(c([O-])c32)C(=O)c2c(O)cc3c(c2C4=O)O[C@@H]2O[C@@]3(C)[C@H](O)[C@@H](N(C)C)[C@@H]2O)O[C@@H](C)[C@H](OC)[C@@]1(C)OC	ZINC000095542889	562756905	/nfs/dbraw/zinc/75/69/05/562756905.db2.gz	NNEGMXMRXKXKMQ-ZEOBNFASSA-N	-1	1	729.776	1.424	1	10		KDCFMM
COC(=O)c1sccc1S(=O)(=O)N1CCC(Oc2ccc(/C=C3\C(=O)[N-]C(=O)NC3=O)cc2F)CC1	ZINC000095580360	562771817	/nfs/dbraw/zinc/77/18/17/562771817.db2.gz	FTRBKDRTOLZIFN-UHFFFAOYSA-N	-1	1	537.547	1.655	1	10		KDCFMM
COC(=O)c1sccc1S(=O)(=O)N1CCC(Oc2ccc(/C=C3/C(=O)[N-]C(=O)NC3=O)cc2F)CC1	ZINC000095580360	562771816	/nfs/dbraw/zinc/77/18/16/562771816.db2.gz	FTRBKDRTOLZIFN-UHFFFAOYSA-N	-1	1	537.547	1.655	1	10		KDCFMM
Nc1nc2c(cnn2CCN2CCN(c3ccc(OCC(=O)[O-])cc3)CC2)c2nc(-c3ccco3)nn21	ZINC000095582929	562772785	/nfs/dbraw/zinc/77/27/85/562772785.db2.gz	WEQZSZADIFBDAX-UHFFFAOYSA-N	-1	1	503.523	1.602	1	10		KDCFMM
CO[C@@H]1[C@H](O)[C@@H](O)[C@H](C)O[C@H]1O[C@H]1C[C@](C)(O)Cc2cc3c(c([O-])c21)C(=O)c1c(O)cccc1C3=O	ZINC000473120489	562899366	/nfs/dbraw/zinc/89/93/66/562899366.db2.gz	DEPMSUJGYKZLRC-ZCUANGBISA-N	-1	1	500.500	1.110	1	10		KDCFMM