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([N-]S(=O)(=O)c3cccc4nc(N)cnc43)cc2)CC1	ZINC000217710525	562877710	/nfs/dbraw/zinc/87/77/10/562877710.db2.gz	OQNHGHCYBIVERW-UHFFFAOYSA-N	-1	0	519.574	3.415	1	70		KGIFRM
Cc1noc(C)c1CC1(O)CCN(C(=O)c2ccc([N-]S(=O)(=O)c3cccc4nccnc43)cc2)CC1	ZINC000217719744	562877718	/nfs/dbraw/zinc/87/77/18/562877718.db2.gz	GOYSELJXMOQEDS-UHFFFAOYSA-N	-1	0	521.599	3.245	1	70		KGIFRM
Cc1cc(CC2(O)CCN(C(=O)c3ccc([N-]S(=O)(=O)c4cccc5nccnc54)cc3)CC2)sn1	ZINC000217727845	562877730	/nfs/dbraw/zinc/87/77/30/562877730.db2.gz	PSWSMTVXRQCWNL-UHFFFAOYSA-N	-1	0	523.640	3.405	1	70		KGIFRM
C[C@@H](CC1(O)CCN(C(=O)c2ccc([N-]S(=O)(=O)c3cccc4c(=O)[nH]cnc43)cc2)CC1)C(F)(F)F	ZINC000217735763	562877699	/nfs/dbraw/zinc/87/76/99/562877699.db2.gz	SPDPBQLPPMUVKD-HNNXBMFYSA-N	-1	0	538.548	3.280	1	70		KGIFRM
C[C@H](CC1(O)CCN(C(=O)c2ccc([N-]S(=O)(=O)c3cccc4c(=O)[nH]cnc43)cc2)CC1)C(F)(F)F	ZINC000217735853	562877694	/nfs/dbraw/zinc/87/76/94/562877694.db2.gz	SPDPBQLPPMUVKD-OAHLLOKOSA-N	-1	0	538.548	3.280	1	70		KGIFRM
O=C(c1ccc([N-]S(=O)(=O)c2cccc3c(=O)[nH]cnc32)cc1)N1CCC(O)(c2cccc(F)c2F)CC1	ZINC000217749357	562877725	/nfs/dbraw/zinc/87/77/25/562877725.db2.gz	GCXKRPCEACOGRT-UHFFFAOYSA-N	-1	0	540.548	3.126	1	70		KGIFRM
Cn1cc(CC2(O)CCN(C(=O)c3ccc([N-]S(=O)(=O)c4cccc5scnc54)cc3)CC2)cn1	ZINC000217753616	562877737	/nfs/dbraw/zinc/87/77/37/562877737.db2.gz	BTHRQEFVAJBXEC-UHFFFAOYSA-N	-1	0	511.629	3.040	1	70		KGIFRM
Cn1nccc1CC1(O)CCN(C(=O)c2ccc([N-]S(=O)(=O)c3cccc4scnc43)cc2)CC1	ZINC000217762159	562877739	/nfs/dbraw/zinc/87/77/39/562877739.db2.gz	OHVSBNKWWQXGED-UHFFFAOYSA-N	-1	0	511.629	3.040	1	70		KGIFRM
Cc1nscc1CC1(O)CCN(C(=O)c2ccc([N-]S(=O)(=O)c3cccc4nccnc43)cc2)CC1	ZINC000217763464	562877708	/nfs/dbraw/zinc/87/77/08/562877708.db2.gz	YFUJOFUBZDHFMV-UHFFFAOYSA-N	-1	0	523.640	3.405	1	70		KGIFRM
O=C(c1ccc([N-]S(=O)(=O)c2cccc3c(=O)[nH]cnc32)cc1)N1CCC(O)(/C=C/CC(F)(F)F)CC1	ZINC000217774675	562877760	/nfs/dbraw/zinc/87/77/60/562877760.db2.gz	MUTFTKGKAUAKMR-XNWCZRBMSA-N	-1	0	536.532	3.200	1	70		KGIFRM
O=C(c1ccc([N-]S(=O)(=O)c2cccc3c(=O)[nH]cnc32)cc1)N1CCC(O)(CCCC(F)(F)F)CC1	ZINC000217778842	562877781	/nfs/dbraw/zinc/87/77/81/562877781.db2.gz	NCIPMNFYRYZCQZ-UHFFFAOYSA-N	-1	0	538.548	3.424	1	70		KGIFRM
Nc1cnc2c(cccc2S(=O)(=O)[N-]c2ccc(C(=O)N3CCC(O)(c4cccc(F)c4F)CC3)cc2)n1	ZINC000217796637	562877762	/nfs/dbraw/zinc/87/77/62/562877762.db2.gz	MWYLQVUPFZEBMD-UHFFFAOYSA-N	-1	0	539.564	3.415	1	70		KGIFRM