smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1[nH]cnc2c([N+](=O)[O-])ccc(Nc3ccc(OCCC[NH+]4CCOCC4)cc3)c12	ZINC000040584921	563105446	/nfs/dbraw/zinc/10/54/46/563105446.db2.gz	HPWCWWFMQLRLSU-UHFFFAOYSA-N	1	1	425.445	2.676	1	5		IFBFMO
O=C1SC2(CCCC2)C(=O)N1CCCC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1	ZINC000027715532	563045730	/nfs/dbraw/zinc/04/57/30/563045730.db2.gz	WFEOSUOHPMGASR-UHFFFAOYSA-N	1	1	433.534	2.900	1	5		IFBFMO
CC(C)[NH+]1CCN(c2cnc3ccc4ccc(NS(C)(=O)=O)cc4c(=O)c3c2)CC1	ZINC000034873705	563088363	/nfs/dbraw/zinc/08/83/63/563088363.db2.gz	SZYARCOFJFUANJ-UHFFFAOYSA-N	1	1	426.542	2.650	1	5		IFBFMO
COc1cc2c(cc1OC)c1c(=O)[nH]c3ccccc3c1n(CCC[NH+]1CCOCC1)c2=O	ZINC000066263730	563161055	/nfs/dbraw/zinc/16/10/55/563161055.db2.gz	UHAZIBLIWGJAKH-UHFFFAOYSA-N	1	1	449.507	2.736	1	5		IFBFMO
O=[N+]([O-])c1ccc2c(c1)c(OCc1ccccc1)nn2CCOCC[NH+]1CCOCC1	ZINC000040934071	563112315	/nfs/dbraw/zinc/11/23/15/563112315.db2.gz	DOSUEZFPIXNQNJ-UHFFFAOYSA-N	1	1	426.473	2.872	1	5		IFBFMO
C[NH+]1CCN(CC(=O)Nc2ccc3nc4c5[nH]c6ccccc6c5ccn4c(=O)c3c2)CC1	ZINC000096258334	563196585	/nfs/dbraw/zinc/19/65/85/563196585.db2.gz	HJDPCBUZHOJABL-UHFFFAOYSA-N	1	1	440.507	2.668	1	5		IFBFMO
COc1cccc2c1CC[C@H]1C[N@@H+](CCn3c(=O)[nH]c4cc([N+](=O)[O-])ccc4c3=O)C[C@@H]21	ZINC000013863031	563013187	/nfs/dbraw/zinc/01/31/87/563013187.db2.gz	DQSYTGKEJVGVLB-IFXJQAMLSA-N	1	1	436.468	2.681	1	5		IFBFMO
COc1ccc2c(CN3CC[NH+](CCOCCO)CC3)cc3cc4c(cc3c2c1)OCO4	ZINC000028706251	563061998	/nfs/dbraw/zinc/06/19/98/563061998.db2.gz	RLNKGMFWJIAXNC-UHFFFAOYSA-N	1	1	438.524	2.857	1	5		IFBFMO
CCC(=O)N(c1ccccc1)C1(C(=O)OC)CC[NH+](CCn2c(C)ncc2[N+](=O)[O-])CC1	ZINC000027899098	563048275	/nfs/dbraw/zinc/04/82/75/563048275.db2.gz	WSXXHCOEOMLDDC-UHFFFAOYSA-N	1	1	443.504	2.551	1	5		IFBFMO