smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc2[nH+]c(C)cc(Oc3ccc([N+](=O)[O-])cc3)c2c1	ZINC000000142572	567923442	/nfs/dbraw/zinc/92/34/42/567923442.db2.gz	IOXKCKKASDYZOK-UHFFFAOYSA-N	1	2	294.310	4.552	50	5		CJBALO
c1ccc(-c2nc3ccccc3c3[nH+]c4ccccc4n32)cc1	ZINC000000500711	567832985	/nfs/dbraw/zinc/83/29/85/567832985.db2.gz	CJXRQYFQNGCDJA-UHFFFAOYSA-N	1	2	295.345	4.703	50	5		CJBALO
O=C(Cc1c2ccccc2[nH+]c2ccccc21)c1ccccc1	ZINC000003880706	570328666	/nfs/dbraw/zinc/32/86/66/570328666.db2.gz	WPMASNKNIMSMKB-UHFFFAOYSA-N	1	2	297.357	4.813	50	5		CJBALO
Nc1ccc(-c2c3ccccc3[nH+]c3ccccc32)cc1	ZINC000004133098	169936771	/nfs/dbraw/zinc/93/67/71/169936771.db2.gz	FBYIXUGLBVYXGI-UHFFFAOYSA-N	1	2	270.335	4.637	50	5		CJBALO
CCCc1c2ccccc2[nH+]c2ccc(Cl)cc21	ZINC000004661577	326811949	/nfs/dbraw/zinc/81/19/49/326811949.db2.gz	RWVIFKGSOCUUAR-UHFFFAOYSA-N	1	2	255.748	4.994	50	5		CJBALO
Cc1c2ccccc2[nH+]c2c3cccc4c3c(cc12)CC4	ZINC000004661611	326812018	/nfs/dbraw/zinc/81/20/18/326812018.db2.gz	LCHWDRHICUNQOC-UHFFFAOYSA-N	1	2	269.347	4.948	50	5		CJBALO
c1ccc(Cc2c3ccccc3[nH+]c3ccccc32)cc1	ZINC000005660468	170125045	/nfs/dbraw/zinc/12/50/45/170125045.db2.gz	OIJCRZOIUQVWEH-UHFFFAOYSA-N	1	2	269.347	4.979	50	5		CJBALO
CCCSc1nc2ccccc2c2[nH+]c3ccccc3n21	ZINC000012695602	566864187	/nfs/dbraw/zinc/86/41/87/566864187.db2.gz	ZZCAUBWZYHUQGC-UHFFFAOYSA-N	1	2	293.395	4.538	50	5		CJBALO
c1ccc2c(c1)[nH+]c(N1CCCCCC1)c1ccccc21	ZINC000035188591	172043407	/nfs/dbraw/zinc/04/34/07/172043407.db2.gz	KWRPLALZCYOWQM-UHFFFAOYSA-N	1	2	276.383	4.768	50	5		CJBALO
Oc1cccc(Cc2c3ccccc3[nH+]c3ccccc32)c1	ZINC000096028080	567138420	/nfs/dbraw/zinc/13/84/20/567138420.db2.gz	KZGHOMZQPLUYSY-UHFFFAOYSA-N	1	2	285.346	4.684	50	5		CJBALO
Oc1ccc(Cc2c3ccccc3[nH+]c3ccccc32)cc1	ZINC000096028081	567137992	/nfs/dbraw/zinc/13/79/92/567137992.db2.gz	CSSLQOODPJSLNU-UHFFFAOYSA-N	1	2	285.346	4.684	50	5		CJBALO
COc1ccc(Cc2c3ccccc3[nH+]c3ccccc32)cc1	ZINC000096028089	185067673	/nfs/dbraw/zinc/06/76/73/185067673.db2.gz	USNKTEVHGLOZIA-UHFFFAOYSA-N	1	2	299.373	4.987	50	5		CJBALO
C[N@H+]1C=CC=C/C1=C/c1c2ccccc2nc2ccccc12	ZINC000104704639	186017743	/nfs/dbraw/zinc/01/77/43/186017743.db2.gz	QSYXRVPWMBCROS-PFONDFGASA-N	1	2	284.362	4.744	50	5		CJBALO
C[N@@H+]1C=CC=C/C1=C/c1c2ccccc2nc2ccccc12	ZINC000104704639	186017741	/nfs/dbraw/zinc/01/77/41/186017741.db2.gz	QSYXRVPWMBCROS-PFONDFGASA-N	1	2	284.362	4.744	50	5		CJBALO