smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN1CCC(Oc2ccc(CNS(=O)(=O)Cc3c(Cl)cccc3Cl)cc2)CC1	ZINC000216949312	557165077	/nfs/dbraw/zinc/16/50/77/557165077.db2.gz	KWWCKHNBWCMLSF-UHFFFAOYSA-N	0	3	443.396	4.086	40	70		IIIBHN
CN1CCC(Oc2ccc(NC(=O)c3ccc(I)cc3)cc2)CC1	ZINC000216931911	557162475	/nfs/dbraw/zinc/16/24/75/557162475.db2.gz	JRLLNTRZBOVDCA-UHFFFAOYSA-N	0	3	436.293	4.017	40	70		IIIBHN
Cc1cc(OCC(=O)Nc2ccc(OC3CCN(C)CC3)cc2)ccc1Br	ZINC000216950392	557165354	/nfs/dbraw/zinc/16/53/54/557165354.db2.gz	AESDMTFNCUWDFX-UHFFFAOYSA-N	0	3	433.346	4.248	40	70		IIIBHN
CN1CCC(Oc2ccc(NC(=O)c3ccccc3I)cc2)CC1	ZINC000216932021	557162373	/nfs/dbraw/zinc/16/23/73/557162373.db2.gz	JADYSTYNOLESND-UHFFFAOYSA-N	0	3	436.293	4.017	40	70		IIIBHN
CN1CCC(Oc2ccc(NS(=O)(=O)Cc3ccc(Cl)c(Cl)c3)cc2)CC1	ZINC000216948490	557165106	/nfs/dbraw/zinc/16/51/06/557165106.db2.gz	QFBFJJDKGAMYBI-UHFFFAOYSA-N	0	3	429.369	4.408	40	70		IIIBHN
CCOc1ccc(CCC(=O)NCc2ccc(OC3CCN(C)CC3)cc2)cc1OCC	ZINC000217021125	557166756	/nfs/dbraw/zinc/16/67/56/557166756.db2.gz	CFDHDXSCUFHQCJ-UHFFFAOYSA-N	0	3	440.584	4.206	40	70		IIIBHN
O=C(NCc1nc(-c2cccs2)no1)c1ccc(CN2CCc3ccccc3C2)cc1	ZINC000218078587	557176793	/nfs/dbraw/zinc/17/67/93/557176793.db2.gz	KLYCACJMBBBMMF-UHFFFAOYSA-N	0	3	430.533	4.286	40	70		IIIBHN
CN1CCC(Oc2ccc(CNS(=O)(=O)Cc3ccc(Cl)cc3Cl)cc2)CC1	ZINC000216948400	557165127	/nfs/dbraw/zinc/16/51/27/557165127.db2.gz	GKWLKMZJMGFFRL-UHFFFAOYSA-N	0	3	443.396	4.086	40	70		IIIBHN
CN1CCC(Oc2ccc(CNS(=O)(=O)Cc3ccc(Cl)c(Cl)c3)cc2)CC1	ZINC000216948518	557165114	/nfs/dbraw/zinc/16/51/14/557165114.db2.gz	ISEAPORMPBJVMI-UHFFFAOYSA-N	0	3	443.396	4.086	40	70		IIIBHN
CN1CCC(Oc2ccc(NS(=O)(=O)Cc3ccc(Cl)cc3Cl)cc2)CC1	ZINC000216948372	557165069	/nfs/dbraw/zinc/16/50/69/557165069.db2.gz	WFZIFSZHEBVHSL-UHFFFAOYSA-N	0	3	429.369	4.408	40	70		IIIBHN
CN1CCC(Oc2ccc(NS(=O)(=O)Cc3c(Cl)cccc3Cl)cc2)CC1	ZINC000216949284	557165024	/nfs/dbraw/zinc/16/50/24/557165024.db2.gz	LLMDQXPMNWUKEA-UHFFFAOYSA-N	0	3	429.369	4.408	40	70		IIIBHN