smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Oc1ccc(-c2cnn3cc(-c4ccc(OCC[NH+]5CCOCC5)cc4)cnc23)cc1O	ZINC000064539310	563154987	/nfs/dbraw/zinc/15/49/87/563154987.db2.gz	XGLLCMUCSWPKPD-UHFFFAOYSA-N	1	2	432.480	3.186	1	10		IGCFLO
COc1ccc(N2C[C@@H](C)[NH2+][C@@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2ccco2)nc1	ZINC000043103783	563118622	/nfs/dbraw/zinc/11/86/22/563118622.db2.gz	MXLMOGNTOCMUNX-IYBDPMFKSA-N	1	2	442.541	3.338	1	10		IGCFLO
COc1ccc2c(c1)-c1c(c3ccc([N+](=O)[O-])cc3c(=O)n1CCCn1cc[nH+]c1)C2=O	ZINC000095597378	563191874	/nfs/dbraw/zinc/19/18/74/563191874.db2.gz	PUGVZSJHSDLYIN-UHFFFAOYSA-N	1	2	430.420	3.417	1	10		IGCFLO
O=C1c2ccccc2C(=O)c2c3nc(CC[NH+]4CCN(c5ccccn5)CC4)[nH]c3ccc21	ZINC000095586610	563189267	/nfs/dbraw/zinc/18/92/67/563189267.db2.gz	ZQHBXMWLOZCKRF-UHFFFAOYSA-N	1	2	437.503	3.098	1	10		IGCFLO
COc1ccc(N2C[C@@H](C)[NH2+][C@@H](C)C2)cc1NS(=O)(=O)c1cccc2cccnc21	ZINC000095598610	563192269	/nfs/dbraw/zinc/19/22/69/563192269.db2.gz	UHIPAVDVQCEWHZ-IYBDPMFKSA-N	1	2	426.542	3.231	1	10		IGCFLO
CCOC(=O)COc1ccc(C(=O)C(=O)c2ccc(O)c(C[NH3+])c2)c(Cl)c1Cl	ZINC000028020920	563050112	/nfs/dbraw/zinc/05/01/12/563050112.db2.gz	DWNGRFLWHHEYCS-UHFFFAOYSA-N	1	2	426.252	3.165	1	10		IGCFLO
CCCC[NH+]1CCN(Cc2c(=O)c(O)c(O)c3c(O)cc(-c4ccc(O)cc4)oc2-3)CC1	ZINC000095563629	563182900	/nfs/dbraw/zinc/18/29/00/563182900.db2.gz	SSMAFYAMAYEXLB-UHFFFAOYSA-N	1	2	440.496	3.200	1	10		IGCFLO
CS(=O)(=O)Nc1ccc(Nc2c3ccccc3[nH+]c3cc(S(N)(=O)=O)ccc32)cc1	ZINC000026840185	563037507	/nfs/dbraw/zinc/03/75/07/563037507.db2.gz	ZFGRKZORRVLICS-UHFFFAOYSA-N	1	2	442.522	3.151	1	10		IGCFLO
O=c1oc(-c2ccc(C(F)(F)F)cc2)nn1Cc1cc(C[NH+]2CCOCC2)ccc1O	ZINC000035242421	563089506	/nfs/dbraw/zinc/08/95/06/563089506.db2.gz	QORGZAYCQAHENG-UHFFFAOYSA-N	1	2	435.402	3.108	1	10		IGCFLO