smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOC(=O)c1ccccc1NC(=O)c1cc(C[NH+]2CCCC2)c(O)c(C[NH+]2CCCC2)c1	ZINC000029551703	563106364	/nfs/dbraw/zinc/10/63/64/563106364.db2.gz	ZPWHRYLRFCWZLF-UHFFFAOYSA-N	2	2	451.567	4.013	1	10		JICFLP
CCOC(=O)CCc1ccc(NC(=O)c2cc(C[NH+]3CCCC3)c(O)c(C[NH+]3CCCC3)c2)cc1	ZINC000029549392	563106188	/nfs/dbraw/zinc/10/61/88/563106188.db2.gz	KJDFJLKJLGNPFW-UHFFFAOYSA-N	2	2	479.621	4.332	1	10		JICFLP
[NH3+]CCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3[nH+]c3cc([N+](=O)[O-])ccc32)cc1	ZINC000026845397	563037070	/nfs/dbraw/zinc/03/70/70/563037070.db2.gz	ULUMRZYMQFUBKR-UHFFFAOYSA-N	2	2	451.508	4.130	1	10		JICFLP
CCOC(=O)/C=C/c1ccc(NC(=O)c2cc(C[NH+]3CCCC3)c(O)c(C[NH+]3CCCC3)c2)cc1	ZINC000029552097	563106372	/nfs/dbraw/zinc/10/63/72/563106372.db2.gz	AZTISYSXMSBKJP-FMIVXFBMSA-N	2	2	477.605	4.412	1	10		JICFLP
Oc1c(C[NH+]2CCOCC2)cc2c(c1-c1c(O)c(C[NH+]3CCOCC3)cc3c1CCCC3)CCCC2	ZINC000036387482	563129251	/nfs/dbraw/zinc/12/92/51/563129251.db2.gz	PFWUEDDOTMPCMM-UHFFFAOYSA-N	2	2	492.660	4.187	1	10		JICFLP
CC[NH+](CC)CCCNc1nc(=O)[nH]c(C)c1C(=O)Nc1c2ccccc2[nH+]c2ccccc21	ZINC000005581685	562934353	/nfs/dbraw/zinc/93/43/53/562934353.db2.gz	UHSDKIQVKSSCAG-UHFFFAOYSA-N	2	2	458.566	4.176	1	10		JICFLP
COc1cc(CNc2[nH+]c3ccccc3n2Cc2ccccc2)cc(C[NH+]2CCOCC2)c1O	ZINC000031861212	563108657	/nfs/dbraw/zinc/10/86/57/563108657.db2.gz	OYNMCGBPANWDLQ-UHFFFAOYSA-N	2	2	458.562	4.243	1	10		JICFLP
CCOC(=O)c1ccc(NC(=O)c2cc(C[NH+]3CCCC3)c(O)c(C[NH+]3CCCC3)c2)cc1	ZINC000029561941	563107106	/nfs/dbraw/zinc/10/71/06/563107106.db2.gz	WLNLSBBQWJUFNS-UHFFFAOYSA-N	2	2	451.567	4.013	1	10		JICFLP