smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])c1c(NC(=O)Cc2ccc(S(=O)(=O)F)cc2)nc2n1CCOC2	ZINC001594707298	956848097	/nfs/dbraw/zinc/84/80/97/956848097.db2.gz	DEGPWCJHWPWDNU-UHFFFAOYSA-N	-1	0	383.357	0.951	20	70		GCIDRM
COC(=O)[C@H]1CC[C@H](C(=O)[O-])N(C(=O)Cc2ccc(S(=O)(=O)F)cc2)C1	ZINC001598771906	995891208	/nfs/dbraw/zinc/89/12/08/995891208.db2.gz	DJESZVGHJYWSQR-WCQYABFASA-N	-1	0	387.385	0.752	20	70		GCIDRM
O=C([O-])[C@H](CC(=O)OCc1ccccc1)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	ZINC001574535155	961920441	/nfs/dbraw/zinc/92/04/41/961920441.db2.gz	WZLLXWMNLBBHEL-ZDUSSCGKSA-N	-1	0	398.368	0.989	20	70		GCIDRM
COC(=O)C1CC2(C1)CN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)C[C@H]2C(=O)[O-]	ZINC001604292980	972917300	/nfs/dbraw/zinc/91/73/00/972917300.db2.gz	QZKGHKGVDDJOCU-VGWYGZTPSA-N	-1	0	388.373	0.399	20	70		GCIDRM
O=C([O-])[C@H]1CC(=O)N(C2CCN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)CC2)C1	ZINC001594898074	954588151	/nfs/dbraw/zinc/58/81/51/954588151.db2.gz	VMFLZAYCJCZGHV-VIFPVBQESA-N	-1	0	387.389	0.211	20	70		GCIDRM
COC(=O)C1CC2(C1)CN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)C[C@@H]2C(=O)[O-]	ZINC001604292972	972917244	/nfs/dbraw/zinc/91/72/44/972917244.db2.gz	QZKGHKGVDDJOCU-IXZKOCCXSA-N	-1	0	388.373	0.399	20	70		GCIDRM
O=C([O-])C1(C(=O)Nc2ccc(S(=O)(=O)F)c(F)c2)CCS(=O)(=O)CC1	ZINC001605937254	972880102	/nfs/dbraw/zinc/88/01/02/972880102.db2.gz	BEIGQGIUQDYOOK-UHFFFAOYSA-N	-1	0	397.377	0.702	20	70		GCIDRM
O=C([O-])CN1CCCC[C@H](NC(=O)Cc2ccc(S(=O)(=O)F)cc2)C1=O	ZINC001606257018	973600299	/nfs/dbraw/zinc/60/02/99/973600299.db2.gz	GSRIQUOQXFILHD-ZDUSSCGKSA-N	-1	0	386.401	0.469	20	70		GCIDRM
COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)Cc1ccc(S(=O)(=O)F)cc1	ZINC001598765422	995825219	/nfs/dbraw/zinc/82/52/19/995825219.db2.gz	IXQVCCVRHVAJBR-AAEUAGOBSA-N	-1	0	387.385	0.752	20	70		GCIDRM
O=C([O-])C1(C(=O)Nc2ccc(S(=O)(=O)F)cc2)CCS(=O)(=O)CC1	ZINC001594870613	954350653	/nfs/dbraw/zinc/35/06/53/954350653.db2.gz	RSUNDTQVEUVEOF-UHFFFAOYSA-N	-1	0	379.387	0.563	20	70		GCIDRM
O=C([O-])[C@@H]1CC(=O)N(C2CCN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)CC2)C1	ZINC001594898073	954588822	/nfs/dbraw/zinc/58/88/22/954588822.db2.gz	VMFLZAYCJCZGHV-SECBINFHSA-N	-1	0	387.389	0.211	20	70		GCIDRM
CN1C[C@H](C(=O)[O-])N(C(=O)c2ccc(S(=O)(=O)F)cc2Cl)CC1=O	ZINC001598563646	993116687	/nfs/dbraw/zinc/11/66/87/993116687.db2.gz	UKCMLAIQNQUIPW-SNVBAGLBSA-N	-1	0	378.765	0.366	20	70		GCIDRM
COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)Cc1ccc(S(=O)(=O)F)cc1	ZINC001598765428	995825224	/nfs/dbraw/zinc/82/52/24/995825224.db2.gz	IXQVCCVRHVAJBR-YPMHNXCESA-N	-1	0	387.385	0.752	20	70		GCIDRM
COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)Cc2ccc(S(=O)(=O)F)cc2)C1	ZINC001598771908	995891357	/nfs/dbraw/zinc/89/13/57/995891357.db2.gz	DJESZVGHJYWSQR-YPMHNXCESA-N	-1	0	387.385	0.752	20	70		GCIDRM
C[C@@H](C(=O)Nc1ccc(F)c(CS(=O)(=O)F)c1)n1cnc(-c2nnn[n-]2)n1	ZINC001573756195	948803287	/nfs/dbraw/zinc/80/32/87/948803287.db2.gz	NNCVLBLZGAVYSY-ZETCQYMHSA-N	-1	0	398.355	0.596	20	70		GCIDRM
COC(=O)[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)Cc1ccc(S(=O)(=O)F)cc1	ZINC001598765424	995824777	/nfs/dbraw/zinc/82/47/77/995824777.db2.gz	IXQVCCVRHVAJBR-DGCLKSJQSA-N	-1	0	387.385	0.752	20	70		GCIDRM
COC(=O)[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)Cc2ccc(S(=O)(=O)F)cc2)C1	ZINC001598771902	995891351	/nfs/dbraw/zinc/89/13/51/995891351.db2.gz	DJESZVGHJYWSQR-AAEUAGOBSA-N	-1	0	387.385	0.752	20	70		GCIDRM
COC(=O)[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)Cc2ccc(S(=O)(=O)F)cc2)C1	ZINC001598771904	995891432	/nfs/dbraw/zinc/89/14/32/995891432.db2.gz	DJESZVGHJYWSQR-DGCLKSJQSA-N	-1	0	387.385	0.752	20	70		GCIDRM
Cc1cc(S(=O)(=O)F)ccc1C(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O	ZINC001594328039	958189256	/nfs/dbraw/zinc/18/92/56/958189256.db2.gz	GVKPATQFLPCEEU-ZDUSSCGKSA-N	-1	0	386.401	0.849	20	70		GCIDRM
O=C([O-])CN1CCC[C@@H](C(=O)Nc2ccc(S(=O)(=O)F)c(F)c2)C1=O	ZINC001606252909	973566688	/nfs/dbraw/zinc/56/66/88/973566688.db2.gz	CUTSOUFFRLRKTF-VIFPVBQESA-N	-1	0	376.337	0.746	20	70		GCIDRM
CC(C)(C)OC(=O)[C@H](CCC(=O)[O-])NC(=O)c1cc(S(=O)(=O)F)c[nH]1	ZINC001590341651	989787755	/nfs/dbraw/zinc/78/77/55/989787755.db2.gz	RUSCCSZQROOXHE-VIFPVBQESA-N	-1	0	378.378	0.978	20	70		GCIDRM
COc1cc(C(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)ccc1S(=O)(=O)F	ZINC001599351270	998098067	/nfs/dbraw/zinc/09/80/67/998098067.db2.gz	JVNUTGMKIAUEJU-NSHDSACASA-N	-1	0	388.417	0.974	20	70		GCIDRM
COc1cc(S(=O)(=O)F)c(Cl)cc1C(=O)N1CCOC[C@@H]1C(=O)[O-]	ZINC001594067880	958156397	/nfs/dbraw/zinc/15/63/97/958156397.db2.gz	VMUWKNXPIBZFTI-SECBINFHSA-N	-1	0	381.765	0.932	20	70		GCIDRM
Cc1cc(S(=O)(=O)F)ccc1C(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O	ZINC001594328038	958190044	/nfs/dbraw/zinc/19/00/44/958190044.db2.gz	GVKPATQFLPCEEU-CYBMUJFWSA-N	-1	0	386.401	0.849	20	70		GCIDRM
COc1cc(C(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)ccc1S(=O)(=O)F	ZINC001599351269	998097970	/nfs/dbraw/zinc/09/79/70/998097970.db2.gz	JVNUTGMKIAUEJU-LLVKDONJSA-N	-1	0	388.417	0.974	20	70		GCIDRM
O=C([O-])CN1CCCC[C@@H](NC(=O)Cc2ccc(S(=O)(=O)F)cc2)C1=O	ZINC001606257017	973600292	/nfs/dbraw/zinc/60/02/92/973600292.db2.gz	GSRIQUOQXFILHD-CYBMUJFWSA-N	-1	0	386.401	0.469	20	70		GCIDRM
COc1cc(C(=O)NCC2(C(=O)[O-])CCOCC2)ccc1S(=O)(=O)F	ZINC001599353998	998146266	/nfs/dbraw/zinc/14/62/66/998146266.db2.gz	ILEOUIKNVOXKDN-UHFFFAOYSA-N	-1	0	375.374	0.965	20	70		GCIDRM
C[C@H](C(=O)Nc1ccc(F)c(CS(=O)(=O)F)c1)n1cnc(-c2nnn[n-]2)n1	ZINC001573756194	948800731	/nfs/dbraw/zinc/80/07/31/948800731.db2.gz	NNCVLBLZGAVYSY-SSDOTTSWSA-N	-1	0	398.355	0.596	20	70		GCIDRM
Cc1ccc(NC(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)cc1S(=O)(=O)F	ZINC001594369391	958532215	/nfs/dbraw/zinc/53/22/15/958532215.db2.gz	NCAACJMMFQUMIG-UHFFFAOYSA-N	-1	0	393.414	0.871	20	70		GCIDRM
O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)c1cc(S(=O)(=O)F)ccc1Cl	ZINC001606058024	973177560	/nfs/dbraw/zinc/17/75/60/973177560.db2.gz	ZCKMBKSVCOXFOM-JTQLQIEISA-N	-1	0	399.805	0.322	20	70		GCIDRM
O=C([O-])CN1CCC[C@H](C(=O)Nc2ccc(S(=O)(=O)F)c(F)c2)C1=O	ZINC001606252908	973566789	/nfs/dbraw/zinc/56/67/89/973566789.db2.gz	CUTSOUFFRLRKTF-SECBINFHSA-N	-1	0	376.337	0.746	20	70		GCIDRM
COC(=O)[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)Cc1ccc(S(=O)(=O)F)cc1	ZINC001598765426	995825205	/nfs/dbraw/zinc/82/52/05/995825205.db2.gz	IXQVCCVRHVAJBR-WCQYABFASA-N	-1	0	387.385	0.752	20	70		GCIDRM
COc1cc(S(=O)(=O)F)c(Cl)cc1C(=O)N1CCOC[C@H]1C(=O)[O-]	ZINC001594067881	958156458	/nfs/dbraw/zinc/15/64/58/958156458.db2.gz	VMUWKNXPIBZFTI-VIFPVBQESA-N	-1	0	381.765	0.932	20	70		GCIDRM
COc1cc(S(=O)(=O)F)c(Cl)cc1C(=O)N[C@]1(C(=O)[O-])CCOC1	ZINC001594067908	958158025	/nfs/dbraw/zinc/15/80/25/958158025.db2.gz	XDCSEAHOGWULAS-CYBMUJFWSA-N	-1	0	381.765	0.980	20	70		GCIDRM
COc1cc(S(=O)(=O)F)c(Cl)cc1C(=O)N[C@@]1(C(=O)[O-])CCOC1	ZINC001594067909	958158649	/nfs/dbraw/zinc/15/86/49/958158649.db2.gz	XDCSEAHOGWULAS-ZDUSSCGKSA-N	-1	0	381.765	0.980	20	70		GCIDRM
CN1C[C@@H](C(=O)[O-])N(C(=O)c2ccc(S(=O)(=O)F)cc2Cl)CC1=O	ZINC001598563645	993116908	/nfs/dbraw/zinc/11/69/08/993116908.db2.gz	UKCMLAIQNQUIPW-JTQLQIEISA-N	-1	0	378.765	0.366	20	70		GCIDRM
COc1cc(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])ccc1S(=O)(=O)F	ZINC001599355357	998170617	/nfs/dbraw/zinc/17/06/17/998170617.db2.gz	PIMYVMWUNFKDKS-YUMQZZPRSA-N	-1	0	376.362	0.061	20	70		GCIDRM
O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)c1cc(S(=O)(=O)F)ccc1Cl	ZINC001606058025	973177878	/nfs/dbraw/zinc/17/78/78/973177878.db2.gz	ZCKMBKSVCOXFOM-SNVBAGLBSA-N	-1	0	399.805	0.322	20	70		GCIDRM
CC(=O)N[C@@H](CSC(F)(F)COS(=O)(=O)C(F)(F)F)C(=O)[O-]	ZINC001589157485	985491802	/nfs/dbraw/zinc/49/18/02/985491802.db2.gz	OXAZIBKYRUORHP-YFKPBYRVSA-N	-1	0	375.293	0.768	20	70		GCIDRM