smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc2c3c(n(CCC[NH+]4CCC([NH3+])CC4)c(=O)c2cc1OC)-c1cc2c(cc1C3=O)OCO2	ZINC000035064645	563118641	/nfs/dbraw/zinc/11/86/41/563118641.db2.gz	UYXWPAVDMZXXKG-UHFFFAOYSA-N	2	2	491.544	2.772	1	10		JFCFLP
C[NH+](C)CCNC(=O)c1cccc2nc3ccc4c(OCC[NH+]5CCOCC5)cccc4c3nc21	ZINC000027768663	563051628	/nfs/dbraw/zinc/05/16/28/563051628.db2.gz	HQZUKGPRUDMBEC-UHFFFAOYSA-N	2	2	473.577	2.939	1	10		JFCFLP
CNC(=O)c1cc2c(s1)c(NCC[NH+](C)C)c1c(c2NCC[NH+](C)C)C(=O)c2ccccc2C1=O	ZINC000040892365	563153266	/nfs/dbraw/zinc/15/32/66/563153266.db2.gz	AJJONCRHHPZQJO-UHFFFAOYSA-N	2	2	493.633	2.983	1	10		JFCFLP
[NH3+]CC(=O)NCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3[nH+]c3cc([N+](=O)[O-])ccc32)cc1	ZINC000026844787	563037004	/nfs/dbraw/zinc/03/70/04/563037004.db2.gz	XCOGHDFCFAAFKO-UHFFFAOYSA-N	2	2	494.533	2.856	1	10		JFCFLP
COc1cc2c3c(n(CCC[N@@H+]4CCC[NH2+]CC4)c(=O)c2cc1OC)-c1cc2c(cc1C3=O)OCO2	ZINC000035064648	563118671	/nfs/dbraw/zinc/11/86/71/563118671.db2.gz	UTQWGRHDYWXDRN-UHFFFAOYSA-N	2	2	491.544	2.644	1	10		JFCFLP
COc1cc2c3c(n(CCC[N@H+]4CCC[NH2+]CC4)c(=O)c2cc1OC)-c1cc2c(cc1C3=O)OCO2	ZINC000035064648	563118673	/nfs/dbraw/zinc/11/86/73/563118673.db2.gz	UTQWGRHDYWXDRN-UHFFFAOYSA-N	2	2	491.544	2.644	1	10		JFCFLP
CC[N@H+](CCNC(=O)[C@@H]([NH3+])[C@@H](C)O)Cc1cc(Nc2cc[nH+]c3cc(Cl)ccc23)ccc1O	ZINC000045284774	563183701	/nfs/dbraw/zinc/18/37/01/563183701.db2.gz	OXJCULJANWWDNP-CMJOXMDJSA-N	3	2	471.989	2.984	1	10		JFCFLP
CC[N@@H+](CCNC(=O)[C@@H]([NH3+])[C@@H](C)O)Cc1cc(Nc2cc[nH+]c3cc(Cl)ccc23)ccc1O	ZINC000045284774	563183702	/nfs/dbraw/zinc/18/37/02/563183702.db2.gz	OXJCULJANWWDNP-CMJOXMDJSA-N	3	2	471.989	2.984	1	10		JFCFLP
C[NH+](C)CCNC(=O)c1cc2cc(OCC[NH+]3CCOCC3)ccc2c2nc3ccccc3nc12	ZINC000013586919	562976787	/nfs/dbraw/zinc/97/67/87/562976787.db2.gz	LBKURFZYHMFJQI-UHFFFAOYSA-N	2	2	473.577	2.939	1	10		JFCFLP