smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1c2nc(NCC[NH+](C)C)n(C[C@@H](O)COc3ccc([N+](=O)[O-])cc3)c2c(=O)[nH]c1=O	ZINC000001811667	568909612	/nfs/dbraw/zinc/90/96/12/568909612.db2.gz	IJADZSGJJYPMCM-CYBMUJFWSA-N	1	0	447.452	-0.255	50	5	biogenic	IBBARO
Cn1c2nc(NCC[NH+](C)C)n(C[C@H](O)COc3ccc([N+](=O)[O-])cc3)c2c(=O)[nH]c1=O	ZINC000002312875	569272581	/nfs/dbraw/zinc/27/25/81/569272581.db2.gz	IJADZSGJJYPMCM-ZDUSSCGKSA-N	1	0	447.452	-0.255	50	5	biogenic	IBBARO
Cn1c2nc(N3CC[NH2+]CC3)n(C[C@H](O)COc3ccc([N+](=O)[O-])cc3)c2c(=O)[nH]c1=O	ZINC000009192113	569510706	/nfs/dbraw/zinc/51/07/06/569510706.db2.gz	HLXACOWENFSCPF-ZDUSSCGKSA-N	1	0	445.436	-0.819	50	5		IBBARO
Cn1c2nc(N3CC[NH2+]CC3)n(C[C@@H](O)COc3ccc([N+](=O)[O-])cc3)c2c(=O)[nH]c1=O	ZINC000009192114	569510729	/nfs/dbraw/zinc/51/07/29/569510729.db2.gz	HLXACOWENFSCPF-CYBMUJFWSA-N	1	0	445.436	-0.819	50	5		IBBARO
C[NH+](C)CCCNC(=O)C(=O)NC[C@@H]1OCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000009600307	569551505	/nfs/dbraw/zinc/55/15/05/569551505.db2.gz	PWOWGDAKHLTPJK-HNNXBMFYSA-N	1	0	443.482	-0.874	50	5		IBBARO
C[NH+](C)CCCNC(=O)C(=O)NC[C@H]1OCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000012080620	524055742	/nfs/dbraw/zinc/05/57/42/524055742.db2.gz	PWOWGDAKHLTPJK-OAHLLOKOSA-N	1	0	443.482	-0.874	50	5		IBBARO
O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1NCC[NH2+][C@@H]1CCS(=O)(=O)C1	ZINC000032809986	556395107	/nfs/dbraw/zinc/39/51/07/556395107.db2.gz	UFOJENZNEKXOIL-CYBMUJFWSA-N	1	0	448.523	-0.196	50	5		IBBARO
O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1NCC[NH2+][C@H]1CCS(=O)(=O)C1	ZINC000032809987	556395079	/nfs/dbraw/zinc/39/50/79/556395079.db2.gz	UFOJENZNEKXOIL-ZDUSSCGKSA-N	1	0	448.523	-0.196	50	5		IBBARO