smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN1CC[C@H](C(=O)NS(=O)(=O)c2ccsc2)CC1=O	ZINC000159667903	529802989	/nfs/dbraw/zinc/80/29/89/529802989.db2.gz	SUCMFHPUNJBBOW-QMMMGPOBSA-N	0	2	302.377	0.421	20	70		DCIDLN
O=C1NCCc2ccc(S(=O)(=O)Nc3nncs3)cc21	ZINC000160556521	416009197	/nfs/dbraw/zinc/00/91/97/416009197.db2.gz	NSIJNIICCQBREN-UHFFFAOYSA-N	0	2	310.360	0.625	20	70		DCIDLN
CC(=O)N1CCCc2cc(NC(=O)c3nc(=O)[nH][nH]3)ccc21	ZINC000160309657	291238133	/nfs/dbraw/zinc/23/81/33/291238133.db2.gz	LKWFCLCDZCPJQG-UHFFFAOYSA-N	0	2	301.306	0.649	20	70		DCIDLN
Cc1c(NC(=O)NCc2n[nH]c(=O)[nH]2)cnn1CCC(C)C	ZINC000161432553	237093956	/nfs/dbraw/zinc/09/39/56/237093956.db2.gz	FUYIBRFBUIJFSZ-UHFFFAOYSA-N	0	2	307.358	0.971	20	70		DCIDLN
Cc1[nH]ncc1CCCNC(=O)CS(=O)(=O)C(C)(C)C	ZINC000159597587	525491142	/nfs/dbraw/zinc/49/11/42/525491142.db2.gz	KJFNRDRCWXPLKG-UHFFFAOYSA-N	0	2	301.412	0.980	20	70		DCIDLN
CC(=O)N1CCC[C@H](C(=O)NS(=O)(=O)c2ccsc2)C1	ZINC000159437069	526582108	/nfs/dbraw/zinc/58/21/08/526582108.db2.gz	QEYILHWSFIHDOS-JTQLQIEISA-N	0	2	316.404	0.812	20	70		DCIDLN
CC(=O)N1CCC[C@@H](C(=O)NS(=O)(=O)c2ccsc2)C1	ZINC000159437191	526565738	/nfs/dbraw/zinc/56/57/38/526565738.db2.gz	QEYILHWSFIHDOS-SNVBAGLBSA-N	0	2	316.404	0.812	20	70		DCIDLN
CNC(=O)COc1cccc(CC(=O)Nc2nc(C)n[nH]2)c1	ZINC000159517923	524075091	/nfs/dbraw/zinc/07/50/91/524075091.db2.gz	YXGROWALUVYYFE-UHFFFAOYSA-N	0	2	303.322	0.419	20	70		DCIDLN
CC[N@@H+]1CCCN(C(=O)NCC(C)(C)[NH+]2CCOCC2)CC1	ZINC000159527432	396068845	/nfs/dbraw/zinc/06/88/45/396068845.db2.gz	FFZNALICOIVUHB-UHFFFAOYSA-N	0	2	312.458	0.834	20	70		DCIDLN
COCCNC(=O)CNC(=O)c1cc(F)cc(Cl)c1O	ZINC000160027356	523897325	/nfs/dbraw/zinc/89/73/25/523897325.db2.gz	HRQLZNUWVDKVGZ-UHFFFAOYSA-N	0	2	304.705	0.677	20	70		DCIDLN
CCCC1(CNC(=O)c2c[nH]c3nc(=O)[nH]c(=O)c-3c2)CC1	ZINC000160480939	519892698	/nfs/dbraw/zinc/89/26/98/519892698.db2.gz	SFHBSYKGIQBYBG-UHFFFAOYSA-N	0	2	302.334	0.922	20	70		DCIDLN
COC(=O)c1cc(S(=O)(=O)Nc2cc(C)n(C)n2)cn1C	ZINC000161505088	533924838	/nfs/dbraw/zinc/92/48/38/533924838.db2.gz	AGOJDLQYIKGESI-UHFFFAOYSA-N	0	2	312.351	0.654	20	70		DCIDLN
CN1CC[C@@H](C(=O)NS(=O)(=O)c2ccsc2)CC1=O	ZINC000159668023	529792184	/nfs/dbraw/zinc/79/21/84/529792184.db2.gz	SUCMFHPUNJBBOW-MRVPVSSYSA-N	0	2	302.377	0.421	20	70		DCIDLN