smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H]([NH3+])Cc1ccc(O[P@](=O)([O-])O)cc1)C(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O	ZINC000027432243	561859486	/nfs/dbraw/zinc/85/94/86/561859486.db2.gz	MCTGLJXYRBPMOZ-KEOOTSPTSA-N	0	2	700.796	0.414	10	0		KCAELN
CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H]([NH3+])Cc1ccc(O[P@@](=O)([O-])O)cc1)C(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O	ZINC000027432243	561859484	/nfs/dbraw/zinc/85/94/84/561859484.db2.gz	MCTGLJXYRBPMOZ-KEOOTSPTSA-N	0	2	700.796	0.414	10	0		KCAELN
COc1c(C)c2c(c(O[C@@H]3O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]3O)c1C/C=C(\C)CCC(=O)OCC[NH+]1CCOCC1)C(=O)OC2	ZINC000077311500	553662700	/nfs/dbraw/zinc/66/27/00/553662700.db2.gz	XPGDDSMYHVPCNZ-LTZMXLGFSA-N	0	2	609.625	0.089	10	0	in-vitro	KCAELN
COc1ccccc1OC[C@H](C[NH+]1CCN(CC(=O)Nc2c(C)cccc2C)CC1)O[C@@H]1O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]1O	ZINC000077312807	553664023	/nfs/dbraw/zinc/66/40/23/553664023.db2.gz	NSPLWSOQWBPAMK-QASFHVGWSA-N	0	2	603.669	0.225	10	0	in-vitro	KCAELN
COc1ccccc1OC[C@@H](C[NH+]1CCN(CC(=O)Nc2c(C)cccc2C)CC1)O[C@@H]1O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]1O	ZINC000077312811	553663935	/nfs/dbraw/zinc/66/39/35/553663935.db2.gz	NSPLWSOQWBPAMK-KDWQWRDESA-N	0	2	603.669	0.225	10	0	in-vitro	KCAELN
COC(=O)[C@H](C(=O)C1=NS(=O)(=O)c2cc(S(N)(=O)=O)c(Cl)cc2N1)c1cnc2ccccc2n1	ZINC000109210852	571428785	/nfs/dbraw/zinc/42/87/85/571428785.db2.gz	XSBBOODXGYGPMA-INIZCTEOSA-N	0	2	523.936	0.969	10	0		KCAELN
COC(=O)[C@@H](C(=O)C1=NS(=O)(=O)c2cc(S(N)(=O)=O)c(Cl)cc2N1)c1cnc2ccccc2n1	ZINC000109210854	571428775	/nfs/dbraw/zinc/42/87/75/571428775.db2.gz	XSBBOODXGYGPMA-MRXNPFEDSA-N	0	2	523.936	0.969	10	0		KCAELN
COc1c2c(=O)cc(-c3ccc(O[C@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)cc3)oc2cc(O)c1[C@@H]1OC[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000253500989	291437512	/nfs/dbraw/zinc/43/75/12/291437512.db2.gz	UPTPSJJNEWBOBD-BFMQTIKASA-N	0	2	704.634	0.219	10	0		KCAELN
COc1c2c(=O)cc(-c3ccc(O[C@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)cc3)oc2cc(O)c1[C@@H]1OC[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000253500995	291437524	/nfs/dbraw/zinc/43/75/24/291437524.db2.gz	UPTPSJJNEWBOBD-JUFVRJKVSA-N	0	2	704.634	0.219	10	0		KCAELN
COc1c2c(=O)cc(-c3ccc(O[C@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)cc3)oc2cc(O)c1[C@@H]1OC[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000253500996	291437518	/nfs/dbraw/zinc/43/75/18/291437518.db2.gz	UPTPSJJNEWBOBD-KCLKJQNWSA-N	0	2	704.634	0.219	10	0		KCAELN