smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc(OC)c1OCC(=O)[O-]	ZINC000002979253	519126873	/nfs/dbraw/zinc/12/68/73/519126873.db2.gz	DYNWVEMNMYMQCS-GZTJUZNOSA-N	-2	0	452.488	2.718	50	30		JFEARL
O=C([O-])CN1C(=O)C(=O)C(=C([O-])c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Br)cc1	ZINC000009413444	527608146	/nfs/dbraw/zinc/60/81/46/527608146.db2.gz	QQVHECAMECXVMV-IBOXJLQUSA-N	-2	0	461.224	2.864	50	30		JFEARL
O=C([N-]CCCCCCO)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)[N-]CCCCCCO	ZINC000102055241	569809205	/nfs/dbraw/zinc/80/92/05/569809205.db2.gz	WZSFMEGIWLLSGG-UHFFFAOYSA-N	-2	0	488.416	2.865	50	30		JFEARL
C#CCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1OC	ZINC000002987996	518315719	/nfs/dbraw/zinc/31/57/19/518315719.db2.gz	OKCXOJINLJCMKU-OQLLNIDSSA-N	-2	0	499.273	2.834	50	30		JFEARL
CCCCNC(=O)[N-]S(=O)(=O)c1ccc([N-]c2c3nonc3c([N+](=O)[O-])cc2[N+](=O)[O-])cc1	ZINC000022589851	520554925	/nfs/dbraw/zinc/55/49/25/520554925.db2.gz	PQEHMRPJOSVODG-UHFFFAOYSA-N	-2	0	479.431	2.775	50	30		JFEARL
O=C([O-])CN1C(=O)C(=O)C(=C([O-])c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Br)cc1	ZINC000009350684	527607915	/nfs/dbraw/zinc/60/79/15/527607915.db2.gz	QQVHECAMECXVMV-UYTDBDHRSA-N	-2	0	461.224	2.864	50	30		JFEARL
O=c1c(N=Nc2cccc3c(=O)[nH][n-]c(=O)c23)c(-c2ccccc2)[n-]n1-c1ccc([N+](=O)[O-])cc1	ZINC000009057157	526949205	/nfs/dbraw/zinc/94/92/05/526949205.db2.gz	HULKQHGXFZHRLJ-QQTULTPQSA-N	-2	0	469.417	2.756	50	30		JFEARL
COc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1N1CCN(CCC#N)CC1	ZINC000032961968	569602689	/nfs/dbraw/zinc/60/26/89/569602689.db2.gz	AEGQHWBXYDDUMJ-UHFFFAOYSA-N	-2	0	478.958	2.883	50	30		JFEARL
Cc1cc(=O)oc2c(/C=N/CC(O)C/N=C/c3c([O-])ccc4c(C)cc(=O)oc34)c([O-])ccc12	ZINC000334160348	570184637	/nfs/dbraw/zinc/18/46/37/570184637.db2.gz	BNGMJGHEDSQUSB-LYXAAFRTSA-N	-2	0	462.458	2.826	50	30		JFEARL
O=c1c(N=Nc2cccc3c(=O)[nH][n-]c(=O)c23)c(-c2ccc([N+](=O)[O-])cc2)[n-]n1-c1ccccc1	ZINC000013893673	555641452	/nfs/dbraw/zinc/64/14/52/555641452.db2.gz	GNDIBJJWEHRJEV-QQTULTPQSA-N	-2	0	469.417	2.756	50	30		JFEARL
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(OC)c1OCC(=O)[O-]	ZINC000002945974	194176067	/nfs/dbraw/zinc/17/60/67/194176067.db2.gz	VROSQMIBBWTURR-WOJGMQOQSA-N	-2	0	450.447	2.862	50	30		JFEARL
COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(N2CCN(CCC#N)CC2)c(C(=O)[O-])c1	ZINC000032961678	556578710	/nfs/dbraw/zinc/57/87/10/556578710.db2.gz	TUGSCYIKZAQRMW-UHFFFAOYSA-N	-2	0	478.958	2.883	50	30		JFEARL
N#CCCN1CCN([C@@H](C(=O)[O-])c2cn(CCC(=O)[O-])c3ccc(Br)cc23)CC1	ZINC000036360252	569772585	/nfs/dbraw/zinc/77/25/85/569772585.db2.gz	NCPFRTDIYDBFTE-LJQANCHMSA-N	-2	0	463.332	2.535	50	30		JFEARL
C=CCc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(OC)cc3)C2=O)cc(OC)c1OCC(=O)[O-]	ZINC000009311399	519123893	/nfs/dbraw/zinc/12/38/93/519123893.db2.gz	OUOUIGTUCVMDKL-WQRHYEAKSA-N	-2	0	482.514	2.727	50	30		JFEARL
Cc1cc(/C(c2ccccc2S(=O)(=O)[O-])=C2\C=C(C)C(=O)C(C(=O)[O-])=C2)cc(C(=O)[O-])c1O	ZINC000012405078	526080146	/nfs/dbraw/zinc/08/01/46/526080146.db2.gz	KXOWVZNVTQLQPD-RGEXLXHISA-N	-3	0	470.455	2.987	50	30		JFEARL
O=S(=O)([O-])c1ccc(N=NC2CCC(N=Nc3ccc(S(=O)(=O)[O-])cc3)CC2)cc1	ZINC000009035648	527260576	/nfs/dbraw/zinc/26/05/76/527260576.db2.gz	IRCJZTHOFPXUIW-UHFFFAOYSA-N	-2	0	452.514	2.990	50	30		JFEARL
O=C([N-]Cc1ccncc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)[N-]Cc1ccncc1	ZINC000008399273	554574548	/nfs/dbraw/zinc/57/45/48/554574548.db2.gz	QSIVYECAJWVIEW-UHFFFAOYSA-N	-2	0	470.320	2.950	50	30		JFEARL
O=C([O-])COc1ccc(/C=N/N2C(=O)/C(=C/c3ccc(OCC(=O)[O-])cc3)SC2=S)cc1	ZINC000015016617	527617750	/nfs/dbraw/zinc/61/77/50/527617750.db2.gz	YTKVUSUBHPRDDT-AGOGZBENSA-N	-2	0	472.500	2.849	50	30		JFEARL
N#CCCN1CCN(c2ccc([N-]S(=O)(=O)c3ccc(Cl)s3)cc2C(=O)[O-])CC1	ZINC000085593026	569710953	/nfs/dbraw/zinc/71/09/53/569710953.db2.gz	ZGTIUJCSMRGIQK-UHFFFAOYSA-N	-2	0	454.961	2.936	50	30		JFEARL
N#CCCN1CCN([C@H](C(=O)[O-])c2cn(CCC(=O)[O-])c3ccc(Br)cc23)CC1	ZINC000036360251	569772607	/nfs/dbraw/zinc/77/26/07/569772607.db2.gz	NCPFRTDIYDBFTE-IBGZPJMESA-N	-2	0	463.332	2.535	50	30		JFEARL
COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(N2CCN(CCC#N)CC2)cc1C(=O)[O-]	ZINC000033007008	569615156	/nfs/dbraw/zinc/61/51/56/569615156.db2.gz	VSVXPGZEOUGIEM-UHFFFAOYSA-N	-2	0	478.958	2.883	50	30		JFEARL