smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(Nc1c2ccccc2[nH+]c2ccccc21)c1cc(Cl)ccc1O	ZINC000005336982	563527216	/nfs/dbraw/zinc/52/72/16/563527216.db2.gz	FSZYVGZQXWVCSR-UHFFFAOYSA-N	1	2	348.789	4.999	40	10		EJCBLO
COc1ccc(C(=O)Nc2c3ccccc3[nH+]c3ccccc32)cc1	ZINC000016216345	563806053	/nfs/dbraw/zinc/80/60/53/563806053.db2.gz	DONMXDBKOHBJHO-UHFFFAOYSA-N	1	2	328.371	4.649	40	10		EJCBLO
Cc1cc(C)c(O)c(C[N@@H+](C)Cc2cc(Cl)cc(Cl)c2O)c1	ZINC000031628778	563912873	/nfs/dbraw/zinc/91/28/73/563912873.db2.gz	ZYFVGABFAJUTDB-UHFFFAOYSA-N	1	2	340.250	4.653	40	10		EJCBLO
Cc1cc(C)c(O)c(C[N@H+](C)Cc2cc(Cl)cc(Cl)c2O)c1	ZINC000031628778	563912874	/nfs/dbraw/zinc/91/28/74/563912874.db2.gz	ZYFVGABFAJUTDB-UHFFFAOYSA-N	1	2	340.250	4.653	40	10		EJCBLO
CC[N@H+](CCCNC(=S)Nc1ccc(C)cc1)c1ccc(C)cc1	ZINC000225732522	242010733	/nfs/dbraw/zinc/01/07/33/242010733.db2.gz	QZAGMBUNVOPDBB-UHFFFAOYSA-N	1	2	341.524	4.506	40	10		EJCBLO
CC[N@@H+](CCCNC(=S)Nc1ccc(C)cc1)c1ccc(C)cc1	ZINC000225732522	242010737	/nfs/dbraw/zinc/01/07/37/242010737.db2.gz	QZAGMBUNVOPDBB-UHFFFAOYSA-N	1	2	341.524	4.506	40	10		EJCBLO
CCC[NH2+][C@H](c1ccc(N(CC)CC)cc1)C(Cl)(Cl)Cl	ZINC000001662453	563400274	/nfs/dbraw/zinc/40/02/74/563400274.db2.gz	QNOXUKLZMDYKQI-CQSZACIVSA-N	1	2	337.722	4.944	40	10		EJCBLO
Oc1ccc2ncccc2c1[C@H](Nc1cccc[nH+]1)c1cccs1	ZINC000019849942	212076265	/nfs/dbraw/zinc/07/62/65/212076265.db2.gz	BOQHOBOEGVSDKJ-LJQANCHMSA-N	1	2	333.416	4.598	40	10		EJCBLO
CC[C@H](c1ccc(N(C)C)cc1)N(CC)c1ccc([NH+](C)C)cc1	ZINC000104057064	219343849	/nfs/dbraw/zinc/34/38/49/219343849.db2.gz	KLJRICHFSFPUCC-OAQYLSRUSA-N	1	2	325.500	4.796	40	10		EJCBLO
CC[C@@H](c1ccc(N(C)C)cc1)N(CC)c1ccc([NH+](C)C)cc1	ZINC000008618463	563633667	/nfs/dbraw/zinc/63/36/67/563633667.db2.gz	KLJRICHFSFPUCC-NRFANRHFSA-N	1	2	325.500	4.796	40	10		EJCBLO
Oc1ccc2ncccc2c1[C@@H](Nc1cccc[nH+]1)c1cccs1	ZINC000019849940	212076524	/nfs/dbraw/zinc/07/65/24/212076524.db2.gz	BOQHOBOEGVSDKJ-IBGZPJMESA-N	1	2	333.416	4.598	40	10		EJCBLO
CC(=O)c1ccc(O)c(C[NH+](C2CCCCC2)C2CCCCC2)c1O	ZINC000031670202	563912932	/nfs/dbraw/zinc/91/29/32/563912932.db2.gz	NGJJEZVCTSGDRK-UHFFFAOYSA-N	1	2	345.483	4.768	40	10	in-vitro	EJCBLO
CC[N@H+](CCCNC(=S)Nc1cccc(C)c1)c1ccc(C)cc1	ZINC000225732476	242009821	/nfs/dbraw/zinc/00/98/21/242009821.db2.gz	GBCZOVWINMMZQL-UHFFFAOYSA-N	1	2	341.524	4.506	40	10		EJCBLO
CC[N@@H+](CCCNC(=S)Nc1cccc(C)c1)c1ccc(C)cc1	ZINC000225732476	242009829	/nfs/dbraw/zinc/00/98/29/242009829.db2.gz	GBCZOVWINMMZQL-UHFFFAOYSA-N	1	2	341.524	4.506	40	10		EJCBLO
CCC[NH2+][C@@H](c1ccc(N(CC)CC)cc1)C(Cl)(Cl)Cl	ZINC000005838866	563551855	/nfs/dbraw/zinc/55/18/55/563551855.db2.gz	QNOXUKLZMDYKQI-AWEZNQCLSA-N	1	2	337.722	4.944	40	10		EJCBLO