smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc4c(ccn4[C@H](C)C(=O)[O-])c3)C2=O)c(OC)c1	ZINC000009290860	555065342	/nfs/dbraw/zinc/06/53/42/555065342.db2.gz	MWDQQTFRYNGWEN-VVBXCHJUSA-N	-1	2	463.446	2.971	50	10		JFCALM
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)ccc1OCC(=O)[O-]	ZINC000002971483	194188768	/nfs/dbraw/zinc/18/87/68/194188768.db2.gz	WKJOEDCBINCFEH-OVCLIPMQSA-N	-1	2	489.278	2.978	50	10		JFCALM
Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)[O-])c(Br)c3)C2=O)cc1	ZINC000002884038	554405276	/nfs/dbraw/zinc/40/52/76/554405276.db2.gz	UFULVJLJAHEIHA-RIYZIHGNSA-N	-1	2	459.252	2.887	50	10		JFCALM
C[C@@H](Oc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1)C(=O)[O-]	ZINC000012381027	555969715	/nfs/dbraw/zinc/96/97/15/555969715.db2.gz	AXPXVTXZVICJFY-FFCYNSPCSA-N	-1	2	459.252	2.967	50	10		JFCALM
CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)[O-]	ZINC000016246951	520628861	/nfs/dbraw/zinc/62/88/61/520628861.db2.gz	HVQJIKMAXRGLIP-DHDCSXOGSA-N	-1	2	455.379	2.964	50	10		JFCALM
COc1cc(C=C2C(=O)NC(=O)N(c3ccccc3)C2=O)cc(Br)c1OCC(=O)[O-]	ZINC000013798975	555620518	/nfs/dbraw/zinc/62/05/18/555620518.db2.gz	YUVVAOQNMNRTQF-QPEQYQDCSA-N	-1	2	475.251	2.792	50	10		JFCALM
O=C([O-])COc1ccc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1Br	ZINC000017058149	556214412	/nfs/dbraw/zinc/21/44/12/556214412.db2.gz	HDESQNAREBKWLU-QPEQYQDCSA-N	-1	2	463.215	2.922	50	10		JFCALM
Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)ccc3OCC(=O)[O-])C2=O)cc1	ZINC000002947195	194176354	/nfs/dbraw/zinc/17/63/54/194176354.db2.gz	PAKBMMARPIWPLP-OQLLNIDSSA-N	-1	2	459.252	2.887	50	10		JFCALM
COc1ccc(N2C(=O)NC(=O)C(=Cc3cccn3-c3ccc(C(=O)[O-])cc3)C2=O)c(OC)c1	ZINC000009601514	555426362	/nfs/dbraw/zinc/42/63/62/555426362.db2.gz	BUPXEMQMOIHNMI-LDADJPATSA-N	-1	2	461.430	2.859	50	10		JFCALM
COc1ccc(N2C(=O)NC(=O)C(=CNC[C@@H](CC(=O)[O-])c3ccc(Cl)cc3)C2=O)cc1	ZINC000020621993	195190462	/nfs/dbraw/zinc/19/04/62/195190462.db2.gz	KQAFIZYGCJYPDC-CRRKTRLDSA-N	-1	2	457.870	2.663	50	10		JFCALM
O=C([O-])COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1Cl	ZINC000009259819	527615435	/nfs/dbraw/zinc/61/54/35/527615435.db2.gz	WMFJPZJPUAAIEP-QDEBKDIKSA-N	-1	2	479.228	2.852	50	10		JFCALM
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)ccc1OCC(=O)[O-]	ZINC000002333323	554152454	/nfs/dbraw/zinc/15/24/54/554152454.db2.gz	YXFKWUIOHHHAPY-RIYZIHGNSA-N	-1	2	475.251	2.588	50	10		JFCALM
C[C@@H](Oc1ccc(/C=C2/C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)cc1)C(=O)[O-]	ZINC000012381030	555969689	/nfs/dbraw/zinc/96/96/89/555969689.db2.gz	DZPGIJLEHXHLSI-WIWNTQSISA-N	-1	2	459.252	2.967	50	10		JFCALM
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)ccc1OCC(=O)[O-]	ZINC000002972790	194189483	/nfs/dbraw/zinc/18/94/83/194189483.db2.gz	MHZLNSBLNMVXKA-OQLLNIDSSA-N	-1	2	489.278	2.978	50	10		JFCALM
COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc4c(ccn4[C@@H](C)C(=O)[O-])c3)C2=O)c(OC)c1	ZINC000009290858	555065367	/nfs/dbraw/zinc/06/53/67/555065367.db2.gz	MWDQQTFRYNGWEN-HNEYUBDGSA-N	-1	2	463.446	2.971	50	10		JFCALM
O=S(=O)([N-]c1ccc(S(=O)(=O)Nc2nccs2)cc1)c1cccc2nsnc21	ZINC000013948178	555658609	/nfs/dbraw/zinc/65/86/09/555658609.db2.gz	OYYMBWPUJCIKMQ-UHFFFAOYSA-N	-1	2	453.552	2.749	50	10		JFCALM
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc(Cl)c1OCC(=O)[O-]	ZINC000022364401	555926005	/nfs/dbraw/zinc/92/60/05/555926005.db2.gz	OOOAGTCJZFFTRN-OVCLIPMQSA-N	-1	2	474.853	2.877	50	10		JFCALM
C[C@H](Oc1ccc(/C=C2/C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)cc1)C(=O)[O-]	ZINC000012381029	555969683	/nfs/dbraw/zinc/96/96/83/555969683.db2.gz	DZPGIJLEHXHLSI-RCEBRVLHSA-N	-1	2	459.252	2.967	50	10		JFCALM
CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)[O-])c(Br)c3)C2=O)cc1	ZINC000002279246	554130247	/nfs/dbraw/zinc/13/02/47/554130247.db2.gz	LKQDVXRDDIDMQU-OQLLNIDSSA-N	-1	2	489.278	2.978	50	10		JFCALM
COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)[O-])c(Br)c3)C2=O)cc1	ZINC000002333354	554152367	/nfs/dbraw/zinc/15/23/67/554152367.db2.gz	SCQLAJODUUOJMV-RIYZIHGNSA-N	-1	2	475.251	2.588	50	10		JFCALM
C[C@H](Oc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1)C(=O)[O-]	ZINC000012381026	555969765	/nfs/dbraw/zinc/96/97/65/555969765.db2.gz	AXPXVTXZVICJFY-OKHBPPCESA-N	-1	2	459.252	2.967	50	10		JFCALM
COc1ccc(N2C(=O)NC(=O)C(=CNC[C@H](CC(=O)[O-])c3ccc(Cl)cc3)C2=O)cc1	ZINC000020621996	195190275	/nfs/dbraw/zinc/19/02/75/195190275.db2.gz	KQAFIZYGCJYPDC-QCUKBLKESA-N	-1	2	457.870	2.663	50	10		JFCALM
O=C([O-])COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1Br	ZINC000002305901	554141944	/nfs/dbraw/zinc/14/19/44/554141944.db2.gz	HDESQNAREBKWLU-NTUHNPAUSA-N	-1	2	463.215	2.718	50	10		JFCALM