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)C(=O)Cc1ccc(N2C(=[NH2+])NC(=N)NC2(C)C)cc1	ZINC000016954548	182066092	/nfs/dbraw/zinc/06/60/92/182066092.db2.gz	RXUALEBZXFZLOR-UHFFFAOYSA-N	1	3	302.382	0.503	1	0		DCAFHO
COc1cc(CN2C(=[NH2+])NC(=N)NC2(C)C)cc(OC)c1OC	ZINC000072104755	191037237	/nfs/dbraw/zinc/03/72/37/191037237.db2.gz	BWICFPOYCOQXCJ-UHFFFAOYSA-N	1	3	321.381	0.894	1	0		DCAFHO
COCCN1CC[C@H](C[N@@H+]2CCCN(c3ncccn3)CC2)C1	ZINC000019790644	274033114	/nfs/dbraw/zinc/03/31/14/274033114.db2.gz	KSQAGTPXDRIVRT-MRXNPFEDSA-N	1	3	319.453	0.957	1	0		DCAFHO
COCCN1CC[C@H](C[N@H+]2CCCN(c3ncccn3)CC2)C1	ZINC000019790644	274033116	/nfs/dbraw/zinc/03/31/16/274033116.db2.gz	KSQAGTPXDRIVRT-MRXNPFEDSA-N	1	3	319.453	0.957	1	0		DCAFHO
COCCN1CC[C@@H](C[N@@H+]2CCCN(c3ncccn3)CC2)C1	ZINC000019790643	274032485	/nfs/dbraw/zinc/03/24/85/274032485.db2.gz	KSQAGTPXDRIVRT-INIZCTEOSA-N	1	3	319.453	0.957	1	0		DCAFHO
COCCN1CC[C@@H](C[N@H+]2CCCN(c3ncccn3)CC2)C1	ZINC000019790643	274032487	/nfs/dbraw/zinc/03/24/87/274032487.db2.gz	KSQAGTPXDRIVRT-INIZCTEOSA-N	1	3	319.453	0.957	1	0		DCAFHO
COCCNc1cc(OCCN(C)C)nc(OCCC[NH3+])n1	ZINC000040879865	183146515	/nfs/dbraw/zinc/14/65/15/183146515.db2.gz	VFVJDEUDXQVENU-UHFFFAOYSA-N	1	3	313.402	0.203	1	0		DCAFHO
CN(C)C(=O)COc1ccc(N2C(=[NH2+])NC(=N)NC2(C)C)cc1	ZINC000016954281	182065555	/nfs/dbraw/zinc/06/55/55/182065555.db2.gz	GXMMOQYASWEHIX-UHFFFAOYSA-N	1	3	318.381	0.339	1	0		DCAFHO
NC(=[NH2+])NCCC[C@@H](NCc1c[nH]c2ccccc12)C(N)=O	ZINC000025986869	182427603	/nfs/dbraw/zinc/42/76/03/182427603.db2.gz	FFEMNDCABCQPCS-CYBMUJFWSA-N	1	3	302.382	0.375	1	0		DCAFHO