smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)Cc1ccc(CSCCN/C=[NH+]/CCSCc2ccc(CN(C)C)o2)o1	ZINC000013452532	562987522	/nfs/dbraw/zinc/98/75/22/562987522.db2.gz	ZMNNRQKEGKTIPD-UHFFFAOYSA-N	1	3	438.663	3.780	1	30		IHEFHO
CC(C)c1ccc(C[NH2+]CCCC[NH2+]CCCNC(=O)CCCCCCC(=O)N[O-])cc1	ZINC000029054011	563073249	/nfs/dbraw/zinc/07/32/49/563073249.db2.gz	DJCZVLVXDPFOQX-UHFFFAOYSA-N	1	3	448.652	3.622	1	30		IHEFHO
N#Cc1ccc2[nH]cc(CN3CCC4(CN(CC[NH2+]Cc5ccccc5)C(=O)O4)CC3)c2c1	ZINC000045228425	563125762	/nfs/dbraw/zinc/12/57/62/563125762.db2.gz	KPMDLIOLZQHMBC-UHFFFAOYSA-N	1	3	443.551	3.616	1	30		IHEFHO
CCNC(=O)ONC(=N)CCCCCCCCCCCCC(=[NH2+])NOC(=O)NCC	ZINC000040833741	563107070	/nfs/dbraw/zinc/10/70/70/563107070.db2.gz	FDPUASPISFDFRE-UHFFFAOYSA-N	1	3	428.578	3.914	1	30		IHEFHO