smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(C(=O)Nc2cnc(N3CC[NH+](CC(=O)NC(C)(C)C)CC3)c(C(=O)[O-])c2)cc1	ZINC000064979045	526227864	/nfs/dbraw/zinc/22/78/64/526227864.db2.gz	FVRBDPVLEGOGDW-UHFFFAOYSA-N	0	2	453.543	2.377	10	0		JEAELN
CCC(C(=O)[C@@H](CC)Cc1c(O)[nH]c(=O)[nH]c1=O)=C(O)C(=O)Nc1nc2ccc(C)cc2s1	ZINC000198715172	569873867	/nfs/dbraw/zinc/87/38/67/569873867.db2.gz	LDJOZKIBPSFPQI-RYUDHWBXSA-N	0	2	472.523	2.106	10	0		JEAELN
CCCCNC(=O)C[NH+]1CCN(c2ncc(NC(=O)c3ccccc3C)cc2C(=O)[O-])CC1	ZINC000064979032	520618350	/nfs/dbraw/zinc/61/83/50/520618350.db2.gz	JGWGMXZMWISKRA-UHFFFAOYSA-N	0	2	453.543	2.379	10	0		JEAELN
C[N@H+](CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)[C@@H]1O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]1O	ZINC000077292749	569705720	/nfs/dbraw/zinc/70/57/20/569705720.db2.gz	ROQAUFRWFXOLOE-LJGAWZCMSA-N	0	2	485.455	2.040	10	0	in-man	JEAELN
C[N@@H+](CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)[C@@H]1O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]1O	ZINC000077292749	569705722	/nfs/dbraw/zinc/70/57/22/569705722.db2.gz	ROQAUFRWFXOLOE-LJGAWZCMSA-N	0	2	485.455	2.040	10	0	in-man	JEAELN
CCC(C(=O)[C@H](CC)Cc1c(O)[nH]c(=O)[nH]c1=O)=C(O)C(=O)Nc1nc2ccc(C)cc2s1	ZINC000198715186	569873894	/nfs/dbraw/zinc/87/38/94/569873894.db2.gz	LDJOZKIBPSFPQI-NEPJUHHUSA-N	0	2	472.523	2.106	10	0		JEAELN
C[N@H+](CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)[C@@H]1O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]1O	ZINC000077292747	569705736	/nfs/dbraw/zinc/70/57/36/569705736.db2.gz	ROQAUFRWFXOLOE-LEZSPFLNSA-N	0	2	485.455	2.040	10	0	in-man	JEAELN
C[N@@H+](CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)[C@@H]1O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]1O	ZINC000077292747	569705737	/nfs/dbraw/zinc/70/57/37/569705737.db2.gz	ROQAUFRWFXOLOE-LEZSPFLNSA-N	0	2	485.455	2.040	10	0	in-man	JEAELN
CCCNC(=O)C[NH+]1CCN(c2ncc(NC(=O)c3cccc(Cl)c3)cc2C(=O)[O-])CC1	ZINC000064979036	519877104	/nfs/dbraw/zinc/87/71/04/519877104.db2.gz	ALEDFQNAPRZFRW-UHFFFAOYSA-N	0	2	459.934	2.334	10	0		JEAELN
CCCNC(=O)C[NH+]1CCN(c2ncc(NC(=O)c3ccc(Cl)cc3)cc2C(=O)[O-])CC1	ZINC000034871953	563117153	/nfs/dbraw/zinc/11/71/53/563117153.db2.gz	ONVLIQRYGRODSS-UHFFFAOYSA-N	0	2	459.934	2.334	10	0		JEAELN
CCC(C(=O)[C@@H](CC)Cc1c(O)[nH]c(=O)[nH]c1=O)=C(O)C(=O)Nc1nc2ccc(C)cc2s1	ZINC000198715142	569873836	/nfs/dbraw/zinc/87/38/36/569873836.db2.gz	LDJOZKIBPSFPQI-NWDGAFQWSA-N	0	2	472.523	2.106	10	0		JEAELN
CCC(C(=O)[C@H](CC)Cc1c(O)[nH]c(=O)[nH]c1=O)=C(O)C(=O)Nc1nc2ccc(C)cc2s1	ZINC000198715158	569873846	/nfs/dbraw/zinc/87/38/46/569873846.db2.gz	LDJOZKIBPSFPQI-VXGBXAGGSA-N	0	2	472.523	2.106	10	0		JEAELN