smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC1(C)NC(=N)NC(=N)N1c1ccc(CCCCc2cc(Cl)ccc2S(=O)(=O)F)c(Cl)c1	ZINC000043300328	562647393	/nfs/dbraw/zinc/64/73/93/562647393.db2.gz	LFXQJPLSGITUKM-UHFFFAOYSA-N	0	3	500.427	4.403	40	70		KIIBHN
CC1(C)NC(=N)NC(=N)N1c1ccc(CCCCc2ccc(Cl)cc2S(=O)(=O)F)c(Cl)c1	ZINC000043300435	562647431	/nfs/dbraw/zinc/64/74/31/562647431.db2.gz	CDBJTQNRWOHIBD-UHFFFAOYSA-N	0	3	500.427	4.403	40	70		KIIBHN
CC1(C)NC(=N)NC(=N)N1c1ccc(OCc2ccc(C(=O)Nc3cccc(S(=O)(=O)F)c3)cc2)c(Cl)c1	ZINC000043307573	562647579	/nfs/dbraw/zinc/64/75/79/562647579.db2.gz	XRLFNMNZWUJTLQ-UHFFFAOYSA-N	0	3	559.023	4.015	40	70		KIIBHN
CC1(C)NC(=N)NC(=N)N1c1ccc(CCCCc2ccc(S(=O)(=O)F)cc2Cl)c(Cl)c1	ZINC000043706278	562650826	/nfs/dbraw/zinc/65/08/26/562650826.db2.gz	MQTIONOODXSMIB-UHFFFAOYSA-N	0	3	500.427	4.403	40	70		KIIBHN
CC1(C)NC(=N)NC(=N)N1c1ccc(CCCCc2ccc(Cl)c(S(=O)(=O)F)c2)c(Cl)c1	ZINC000043860732	562651091	/nfs/dbraw/zinc/65/10/91/562651091.db2.gz	MUJBURJCNWOOJV-UHFFFAOYSA-N	0	3	500.427	4.403	40	70		KIIBHN
CC1(C)NC(=N)NC(=N)N1c1ccc(CCCCc2ccc(S(=O)(=O)F)c(Cl)c2)c(Cl)c1	ZINC000043871712	562651137	/nfs/dbraw/zinc/65/11/37/562651137.db2.gz	DLWNCBJHSVAOML-UHFFFAOYSA-N	0	3	500.427	4.403	40	70		KIIBHN
CN1CCC(NC(=O)CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)CC1	ZINC000216799109	571597895	/nfs/dbraw/zinc/59/78/95/571597895.db2.gz	CZZSTXZUZUVIEB-UHFFFAOYSA-N	0	3	504.867	4.048	40	70		KIIBHN
CN1CCC(NC(=O)CN(Cc2c(Cl)cccc2Cl)S(=O)(=O)c2ccc(Cl)cc2)CC1	ZINC000216803516	571598269	/nfs/dbraw/zinc/59/82/69/571598269.db2.gz	WMUFTDLBWRDRKU-UHFFFAOYSA-N	0	3	504.867	4.048	40	70		KIIBHN
CN1CCC(NC(=O)CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(Cl)cc2)CC1	ZINC000216804983	571598223	/nfs/dbraw/zinc/59/82/23/571598223.db2.gz	JHBRBGOWLAXEJZ-UHFFFAOYSA-N	0	3	504.867	4.048	40	70		KIIBHN
CN1CCC(NC(=O)CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Br)cc2)CC1	ZINC000216807660	571598586	/nfs/dbraw/zinc/59/85/86/571598586.db2.gz	WRZAJOSVISGQAD-UHFFFAOYSA-N	0	3	549.318	4.157	40	70		KIIBHN
CN1CCC(NC(=O)CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(Br)cc2)CC1	ZINC000216808001	571598562	/nfs/dbraw/zinc/59/85/62/571598562.db2.gz	SLSPHDNRMIETEX-UHFFFAOYSA-N	0	3	549.318	4.157	40	70		KIIBHN