smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1nc(N)nc(N)c1OCc1cccc2c3ccccc3ccc12	ZINC000045195462	202546790	/nfs/dbraw/zinc/54/67/90/202546790.db2.gz	MJXOPABUHRRJIF-UHFFFAOYSA-N	0	1	330.391	3.835	1	5		EHBFMN
CC[NH+](CC)CCCOc1ccc2c(c1)oc1cc([O-])ccc1c2=O	ZINC000071296473	203091737	/nfs/dbraw/zinc/09/17/37/203091737.db2.gz	CBMHVPYSCRBHLR-UHFFFAOYSA-N	0	1	341.407	3.763	1	5		EHBFMN
c1nc(-c2cccc3c4cnccc4c(NC4CCCC4)nc23)n[nH]1	ZINC000073157694	216358693	/nfs/dbraw/zinc/35/86/93/216358693.db2.gz	QLQXQPDNKGTPIA-UHFFFAOYSA-N	0	1	330.395	3.923	1	5		EHBFMN
Cn1c2ccccc2c(=[NH+]Nc2cccc(C(=O)[O-])c2)c2ccccc21	ZINC000073404379	216383480	/nfs/dbraw/zinc/38/34/80/216383480.db2.gz	TVCIJDBKELBLJP-UHFFFAOYSA-N	0	1	343.386	3.958	1	5		EHBFMN
Cn1c2ccccc2c(=[NH+]Nc2ccc(C(=O)[O-])cc2)c2ccccc21	ZINC000073276883	216372719	/nfs/dbraw/zinc/37/27/19/216372719.db2.gz	UTGHFNMSBZNPNI-UHFFFAOYSA-N	0	1	343.386	3.958	1	5		EHBFMN
Cc1ccc2nc(SCc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)[nH]c2c1	ZINC000032066846	212785028	/nfs/dbraw/zinc/78/50/28/212785028.db2.gz	LYIVMVDNNCGLAD-UHFFFAOYSA-N	0	1	344.352	3.980	1	5		EHBFMN