smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#Cc1ccc2[nH]c(O[C@H]3CCCc4c(Cl)ccnc43)c(-c3ccc(C[NH+]4CCOCC4)cn3)c2c1	ZINC001229566677	1072916150	/nfs/dbraw/zinc/91/61/50/1072916150.db2.gz	QEEVULQNFCWVTL-VWLOTQADSA-N	1	2	500.002	5.439	20	30		KKEDLO
CCCc1cc[n+](C(C(=O)c2[nH]c(C)c(C(C)=O)c2C)C(=S)Nc2ccc(OC(F)F)cc2)cc1	ZINC000028793573	1071176465	/nfs/dbraw/zinc/17/64/65/1071176465.db2.gz	HCTNVDQXJCFNHO-UHFFFAOYSA-O	1	2	500.591	5.726	20	30		KKEDLO
Cc1ccc(NC(=S)C(C(=O)c2ccccc2Br)[n+]2ccc(C(C)(C)C)cc2)cc1F	ZINC000028811065	1071176475	/nfs/dbraw/zinc/17/64/75/1071176475.db2.gz	UQYDODNCULHMFN-UHFFFAOYSA-O	1	2	500.457	6.533	20	30		KKEDLO
Cc1c2ccccc2sc1C(=O)C(C(=S)N=C1C=CC(C(N)=O)=CC1)[n+]1ccc2c(c1)CCCC2	ZINC000726570170	1072907989	/nfs/dbraw/zinc/90/79/89/1072907989.db2.gz	VGERUXXQSFNOOF-UHFFFAOYSA-O	1	2	500.669	5.883	20	30		KKEDLO
Cc1c(C)n(C2CCCC2)c(NC(=O)CSc2nnc([C@H](C)[NH+](C)C)n2-c2ccc(F)cc2)c1C#N	ZINC000514392896	1071114122	/nfs/dbraw/zinc/11/41/22/1071114122.db2.gz	GVEIQXVECYDYKW-SFHVURJKSA-N	1	2	509.655	5.165	20	30		KKEDLO
Cc1c(C)n(C2CCCC2)c(NC(=O)CSc2nnc([C@@H](C)[NH+](C)C)n2-c2ccc(F)cc2)c1C#N	ZINC000514392895	1071114078	/nfs/dbraw/zinc/11/40/78/1071114078.db2.gz	GVEIQXVECYDYKW-GOSISDBHSA-N	1	2	509.655	5.165	20	30		KKEDLO
CCCc1cc[n+](C(C(=O)c2[nH]c(C)c(C(=O)OCC)c2C)C(=S)Nc2ccc(F)cc2F)cc1	ZINC000028793334	1071176395	/nfs/dbraw/zinc/17/63/95/1071176395.db2.gz	IWHIQENFUMDOPQ-UHFFFAOYSA-O	1	2	500.591	5.377	20	30		KKEDLO
CCC(CC)c1cc[n+](C(C(=O)c2ccc3c(c2)CCCC3)C(=S)N=C2C=CC(C(N)=O)=CC2)cc1	ZINC000726569474	1072908033	/nfs/dbraw/zinc/90/80/33/1072908033.db2.gz	ABDMCTRGWINTBL-UHFFFAOYSA-O	1	2	500.688	6.263	20	30		KKEDLO
N#Cc1ccc2[nH]c(O[C@@H]3CCCc4c(Cl)ccnc43)c(-c3ccc(C[NH+]4CCOCC4)cn3)c2c1	ZINC001229566667	1072916087	/nfs/dbraw/zinc/91/60/87/1072916087.db2.gz	QEEVULQNFCWVTL-RUZDIDTESA-N	1	2	500.002	5.439	20	30		KKEDLO