smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN1CCC(N=Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)CC1	ZINC000103766488	555473372	/nfs/dbraw/zinc/47/33/72/555473372.db2.gz	DBBNAGAVXMEABV-UHFFFAOYSA-N	0	3	530.607	2.324	40	30		KEEBHN
CC(=O)Nc1ccc(/C=N/NC(=S)NCCCN2CCN(CCCNC(=S)N/N=C\c3ccc(NC(C)=O)cc3)CC2)cc1	ZINC000104064445	571372095	/nfs/dbraw/zinc/37/20/95/571372095.db2.gz	YIJLECZILADZFW-NRYMNODQSA-N	0	3	638.868	2.297	40	30		KEEBHN
Cc1ccc(S(=O)(=O)OC[C@H](O)C(=O)[C@H](O)C(=CNNc2ccccc2)NNc2ccccc2)cc1	ZINC000104373190	571379717	/nfs/dbraw/zinc/37/97/17/571379717.db2.gz	CBQIYWDLSLNGTF-QONKGYHTSA-N	0	3	512.588	2.349	40	30		KEEBHN
Cc1ccc(S(=O)(=O)OC[C@H](O)C(=O)[C@H](O)C(=CNNc2ccccc2)NNc2ccccc2)cc1	ZINC000104373192	571379701	/nfs/dbraw/zinc/37/97/01/571379701.db2.gz	CBQIYWDLSLNGTF-ABSATMTISA-N	0	3	512.588	2.349	40	30		KEEBHN
Cc1ccc(S(=O)(=O)OC[C@H](O)C(=O)[C@H](O)C(=CNNc2ccccc2)NNc2ccccc2)cc1	ZINC000104373195	571379685	/nfs/dbraw/zinc/37/96/85/571379685.db2.gz	CBQIYWDLSLNGTF-RQBHIUKHSA-N	0	3	512.588	2.349	40	30		KEEBHN
Cc1ccc(S(=O)(=O)OC[C@H](O)C(=O)[C@H](O)C(=CNNc2ccccc2)NNc2ccccc2)cc1	ZINC000104373198	571379787	/nfs/dbraw/zinc/37/97/87/571379787.db2.gz	CBQIYWDLSLNGTF-HRVIKJPOSA-N	0	3	512.588	2.349	40	30		KEEBHN
CC[C@H]1OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)C(C)=C[C@]1(C)O	ZINC001570005690	1066438762	/nfs/dbraw/zinc/43/87/62/1066438762.db2.gz	GVPDZXPAAWSLFA-DIGMNFHXSA-N	0	3	571.752	2.464	40	30		KEEBHN