smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(F)(F)CCC1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4nc(N)cnc43)cc2)CC1	ZINC000217710525	562877711	/nfs/dbraw/zinc/87/77/11/562877711.db2.gz	OQNHGHCYBIVERW-UHFFFAOYSA-N	0	2	519.574	3.415	1	70		KGIFLN
Cc1noc(C)c1CC1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4nccnc43)cc2)CC1	ZINC000217719744	562877719	/nfs/dbraw/zinc/87/77/19/562877719.db2.gz	GOYSELJXMOQEDS-UHFFFAOYSA-N	0	2	521.599	3.245	1	70		KGIFLN
Cc1cc(CC2(O)CCN(C(=O)c3ccc(NS(=O)(=O)c4cccc5nccnc54)cc3)CC2)sn1	ZINC000217727845	562877731	/nfs/dbraw/zinc/87/77/31/562877731.db2.gz	PSWSMTVXRQCWNL-UHFFFAOYSA-N	0	2	523.640	3.405	1	70		KGIFLN
C[C@@H](CC1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4c(=O)[nH]cnc43)cc2)CC1)C(F)(F)F	ZINC000217735763	562877700	/nfs/dbraw/zinc/87/77/00/562877700.db2.gz	SPDPBQLPPMUVKD-HNNXBMFYSA-N	0	2	538.548	3.280	1	70		KGIFLN
C[C@H](CC1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4c(=O)[nH]cnc43)cc2)CC1)C(F)(F)F	ZINC000217735853	562877695	/nfs/dbraw/zinc/87/76/95/562877695.db2.gz	SPDPBQLPPMUVKD-OAHLLOKOSA-N	0	2	538.548	3.280	1	70		KGIFLN
O=C(c1ccc(NS(=O)(=O)c2cccc3c(=O)[nH]cnc32)cc1)N1CCC(O)(c2cccc(F)c2F)CC1	ZINC000217749357	562877726	/nfs/dbraw/zinc/87/77/26/562877726.db2.gz	GCXKRPCEACOGRT-UHFFFAOYSA-N	0	2	540.548	3.126	1	70		KGIFLN
Cn1cc(CC2(O)CCN(C(=O)c3ccc(NS(=O)(=O)c4cccc5scnc54)cc3)CC2)cn1	ZINC000217753616	562877738	/nfs/dbraw/zinc/87/77/38/562877738.db2.gz	BTHRQEFVAJBXEC-UHFFFAOYSA-N	0	2	511.629	3.040	1	70		KGIFLN
Cn1nccc1CC1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4scnc43)cc2)CC1	ZINC000217762159	562877740	/nfs/dbraw/zinc/87/77/40/562877740.db2.gz	OHVSBNKWWQXGED-UHFFFAOYSA-N	0	2	511.629	3.040	1	70		KGIFLN
Cc1nscc1CC1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4nccnc43)cc2)CC1	ZINC000217763464	562877709	/nfs/dbraw/zinc/87/77/09/562877709.db2.gz	YFUJOFUBZDHFMV-UHFFFAOYSA-N	0	2	523.640	3.405	1	70		KGIFLN
O=C(c1ccc(NS(=O)(=O)c2cccc3c(=O)[nH]cnc32)cc1)N1CCC(O)(/C=C/CC(F)(F)F)CC1	ZINC000217774675	562877761	/nfs/dbraw/zinc/87/77/61/562877761.db2.gz	MUTFTKGKAUAKMR-XNWCZRBMSA-N	0	2	536.532	3.200	1	70		KGIFLN
O=C(c1ccc(NS(=O)(=O)c2cccc3c(=O)[nH]cnc32)cc1)N1CCC(O)(CCCC(F)(F)F)CC1	ZINC000217778842	562877782	/nfs/dbraw/zinc/87/77/82/562877782.db2.gz	NCIPMNFYRYZCQZ-UHFFFAOYSA-N	0	2	538.548	3.424	1	70		KGIFLN
Nc1cnc2c(cccc2S(=O)(=O)Nc2ccc(C(=O)N3CCC(O)(c4cccc(F)c4F)CC3)cc2)n1	ZINC000217796637	562877763	/nfs/dbraw/zinc/87/77/63/562877763.db2.gz	MWYLQVUPFZEBMD-UHFFFAOYSA-N	0	2	539.564	3.415	1	70		KGIFLN