smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1c2c(cc3c1ccnc3C(=O)NCC[NH+](C)C)c1cc(OC(=O)N3CC[NH+](C)CC3)ccc1n2C	ZINC000026293289	561780842	/nfs/dbraw/zinc/78/08/42/561780842.db2.gz	XVZJULQBRMOTHU-UHFFFAOYSA-N	2	1	502.619	3.226	1	5		KGBFMP
O=C(CC[NH+]1CCCC[C@H]1CO)Nc1ccc2c(c1)[nH]c1ccc(NC(=O)CC[N@H+]3CCCC[C@@H]3CO)cc1c2=O	ZINC000028384901	561920942	/nfs/dbraw/zinc/92/09/42/561920942.db2.gz	RTJRWXWBRNWGAK-RPWUZVMVSA-N	2	1	563.699	3.032	1	5		KGBFMP
O=C(CC[NH+]1CCCC[C@H]1CO)Nc1ccc2c(c1)[nH]c1ccc(NC(=O)CC[N@@H+]3CCCC[C@@H]3CO)cc1c2=O	ZINC000028384901	561920940	/nfs/dbraw/zinc/92/09/40/561920940.db2.gz	RTJRWXWBRNWGAK-RPWUZVMVSA-N	2	1	563.699	3.032	1	5		KGBFMP
O=C(CC[NH+]1CCCC[C@@H]1CO)Nc1ccc2[nH]c3cc(NC(=O)CC[N@@H+]4CCCC[C@H]4CO)ccc3c(=O)c2c1	ZINC000028384901	561920938	/nfs/dbraw/zinc/92/09/38/561920938.db2.gz	RTJRWXWBRNWGAK-RPWUZVMVSA-N	2	1	563.699	3.032	1	5		KGBFMP
O=C(CC[NH+]1CCCC[C@@H]1CO)Nc1ccc2c(c1)[nH]c1ccc(NC(=O)CC[N@H+]3CCCC[C@@H]3CO)cc1c2=O	ZINC000028384907	561920993	/nfs/dbraw/zinc/92/09/93/561920993.db2.gz	RTJRWXWBRNWGAK-DNQXCXABSA-N	2	1	563.699	3.032	1	5		KGBFMP
O=C(CC[NH+]1CCCC[C@@H]1CO)Nc1ccc2c(c1)[nH]c1ccc(NC(=O)CC[N@@H+]3CCCC[C@@H]3CO)cc1c2=O	ZINC000028384907	561920990	/nfs/dbraw/zinc/92/09/90/561920990.db2.gz	RTJRWXWBRNWGAK-DNQXCXABSA-N	2	1	563.699	3.032	1	5		KGBFMP
O=C(CC[NH+]1CCCC[C@@H]1CO)Nc1ccc2[nH]c3cc(NC(=O)CC[N@@H+]4CCCC[C@@H]4CO)ccc3c(=O)c2c1	ZINC000028384907	561920988	/nfs/dbraw/zinc/92/09/88/561920988.db2.gz	RTJRWXWBRNWGAK-DNQXCXABSA-N	2	1	563.699	3.032	1	5		KGBFMP
C[NH+](C)CCCNc1nc(NCCc2ccc([N+](=O)[O-])cc2)[nH+]c(NCCc2ccc([N+](=O)[O-])cc2)n1	ZINC000073200556	562736173	/nfs/dbraw/zinc/73/61/73/562736173.db2.gz	XJQCPLPOXZGDEB-UHFFFAOYSA-N	2	1	509.571	3.361	1	5		KGBFMP
O=C1c2cc([N+](=O)[O-])cc3cc([N+](=O)[O-])cc(c32)C(=O)N1CCC[NH2+]CC[NH2+]CCCN1C(=O)c2cc([N+](=O)[O-])cc3cc([N+](=O)[O-])cc(c32)C1=O	ZINC000082174869	562741585	/nfs/dbraw/zinc/74/15/85/562741585.db2.gz	FJWNCPZQQCGFRD-UHFFFAOYSA-N	2	1	714.604	3.477	1	5		KGBFMP
O=C1[C@H]2[C@@H]3CCC[N@H+]3[C@@H](c3cc(-c4ccc(Cl)s4)on3)[C@H]2C(=O)N1CCC[N+]1(CCO)CCCC1	ZINC000098209622	717141911	/nfs/dbraw/zinc/14/19/11/717141911.db2.gz	NGWQPUFWVMNLQW-ZMVGRULKSA-N	2	1	520.075	3.170	1	5	in-vitro	KGBFMP
CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCC[N@H+]3CCN1CCN(CC[N+]2(C(=O)CN)CCC[C@@H]3[C@H]4C=C(C)C[C@]32c2ccc(=O)[nH]c2C4)CC1	ZINC000195044506	717157856	/nfs/dbraw/zinc/15/78/56/717157856.db2.gz	LJLLQFBLLBGTOU-ZGCXINCGSA-O	2	1	708.972	3.240	1	5		KGBFMP