smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(N2CCN(CC(O)CN3CCN(c4ccc(OC)cc4)CC3)CC2)cc1	ZINC000031539098	536696300	/nfs/dbraw/zinc/69/63/00/536696300.db2.gz	VHPOJFNPMOMKPV-UHFFFAOYSA-N	0	1	440.588	2.009	20	10		IECDMN
CCOC(=O)c1cnn2c1[nH]c(CN[C@@H](Cc1ccccc1)[C@H](O)C(F)(F)F)cc2=O	ZINC001560100618	1126207978	/nfs/dbraw/zinc/20/79/78/1126207978.db2.gz	QKUGXGGLGDSAHZ-RDJZCZTQSA-N	0	1	438.406	2.236	20	10		IECDMN
CN1CCN(c2ccc(C[NH2+][C@@H](Cc3ccc4c(c3)OCCCO4)C(=O)[O-])cc2)CC1	ZINC000756390549	1126108928	/nfs/dbraw/zinc/10/89/28/1126108928.db2.gz	VMYMBUNXYVSUGR-NRFANRHFSA-N	0	1	425.529	2.385	20	10		IECDMN
CCOC(=O)c1cnn2c1[nH]c(CN[C@H](Cc1ccccc1)[C@H](O)C(F)(F)F)cc2=O	ZINC001560100619	1126207909	/nfs/dbraw/zinc/20/79/09/1126207909.db2.gz	QKUGXGGLGDSAHZ-WBVHZDCISA-N	0	1	438.406	2.236	20	10		IECDMN
CCOC(=O)c1cnn2c1[nH]c(CN[C@@H](Cc1ccccc1)[C@@H](O)C(F)(F)F)cc2=O	ZINC001560100616	1126207780	/nfs/dbraw/zinc/20/77/80/1126207780.db2.gz	QKUGXGGLGDSAHZ-DOTOQJQBSA-N	0	1	438.406	2.236	20	10		IECDMN
CN1CCN(c2ccc(C[NH2+][C@H](Cc3ccc4c(c3)OCCCO4)C(=O)[O-])cc2)CC1	ZINC000756390553	1126108870	/nfs/dbraw/zinc/10/88/70/1126108870.db2.gz	VMYMBUNXYVSUGR-OAQYLSRUSA-N	0	1	425.529	2.385	20	10		IECDMN
CCOC(=O)c1cnn2c1[nH]c(CN[C@H](Cc1ccccc1)[C@@H](O)C(F)(F)F)cc2=O	ZINC001560100617	1126207796	/nfs/dbraw/zinc/20/77/96/1126207796.db2.gz	QKUGXGGLGDSAHZ-NVXWUHKLSA-N	0	1	438.406	2.236	20	10		IECDMN