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)CC[NH2+]CCNc1ccc2c3c(nn2CCC[NH3+])-c2c([O-])ccc(O)c2C(=O)c31	ZINC000028758002	563063498	/nfs/dbraw/zinc/06/34/98/563063498.db2.gz	NICIMQKVSNNRMS-UHFFFAOYSA-N	1	3	438.532	1.571	1	10		IDCFHO
[NH3+]CCCNc1ccc2c3c(nn2CCC[NH2+]CCO)-c2c([O-])ccc(O)c2C(=O)c31	ZINC000028757741	563063516	/nfs/dbraw/zinc/06/35/16/563063516.db2.gz	LEWUCFVLNICFHJ-UHFFFAOYSA-N	1	3	425.489	1.392	1	10		IDCFHO
CC(C)(CO)[NH2+]CCNc1ccc(NCCNCCO)c2c1C(=O)c1ccccc1C2=O	ZINC000005545065	562944145	/nfs/dbraw/zinc/94/41/45/562944145.db2.gz	NZESPWKYNKODGI-UHFFFAOYSA-N	1	3	440.544	1.228	1	10		IDCFHO
COCCNCCNc1ccc(NCC[NH2+]CCOC)c2c1C(=O)c1cnccc1C2=O	ZINC000027903522	563048435	/nfs/dbraw/zinc/04/84/35/563048435.db2.gz	QZIGILJWAQNNFB-UHFFFAOYSA-N	1	3	441.532	1.153	1	10		IDCFHO
COCCNCCNc1ccc(NCC[NH2+]CCOC)c2c1C(=O)c1ccncc1C2=O	ZINC000027903522	563048437	/nfs/dbraw/zinc/04/84/37/563048437.db2.gz	QZIGILJWAQNNFB-UHFFFAOYSA-N	1	3	441.532	1.153	1	10		IDCFHO
[NH3+]CCCCNc1ccc2c3c(nn2CC[NH2+]CCO)-c2c([O-])ccc(O)c2C(=O)c31	ZINC000028759707	563063589	/nfs/dbraw/zinc/06/35/89/563063589.db2.gz	LOFJFVXTJYCALE-UHFFFAOYSA-N	1	3	425.489	1.392	1	10		IDCFHO
[NH3+]CCCCCNc1ccc2c3c(nn2CC[NH2+]CCO)-c2c([O-])ccc(O)c2C(=O)c31	ZINC000028757818	563063524	/nfs/dbraw/zinc/06/35/24/563063524.db2.gz	DDMDITXZVYZJGR-UHFFFAOYSA-N	1	3	439.516	1.782	1	10		IDCFHO