smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3[O-])C2=O)cc1Cl	ZINC000408984566	231141832	/nfs/dbraw/zinc/14/18/32/231141832.db2.gz	JAFLYCOYMANHBT-QPEQYQDCSA-N	-2	3	391.210	3.674	40	10		GHCBHL
O=C1[N-]C(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc([O-])c(Cl)c1	ZINC000226086944	856568035	/nfs/dbraw/zinc/56/80/35/856568035.db2.gz	LJWZNGNRASYYGV-KPKJPENVSA-N	-2	3	393.251	3.530	40	10		GHCBHL
Cc1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c(Cl)c(Cl)c1[O-]	ZINC000004173222	204030621	/nfs/dbraw/zinc/03/06/21/204030621.db2.gz	TWFZKGOHEKCRSO-UHFFFAOYSA-N	-2	3	377.205	3.716	40	10		GHCBHL
O=C([N-]N1C(=O)/C(=C\c2ccc([O-])c(Cl)c2)SC1=S)c1cccs1	ZINC000409347308	231193925	/nfs/dbraw/zinc/19/39/25/231193925.db2.gz	PFAVDEPEKGRKGA-KPKJPENVSA-N	-2	3	396.902	3.653	40	10		GHCBHL
CCOc1cc(C=C2C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc(Cl)c1[O-]	ZINC000038172130	856551640	/nfs/dbraw/zinc/55/16/40/856551640.db2.gz	BYILYGDHFQYYAJ-WUXMJOGZSA-N	-2	3	390.779	3.540	40	10		GHCBHL
CC(=O)N(c1cccc(C)c1)c1c([O-])cc([O-])c2c1C(=O)c1ccccc1C2=O	ZINC000015085923	205357750	/nfs/dbraw/zinc/35/77/50/205357750.db2.gz	XJTZSYKWZHMIJO-UHFFFAOYSA-N	-2	3	387.391	3.866	40	10		GHCBHL
COc1ccc(S(=O)(=O)[N-]c2cc(Cl)c([O-])c(Br)c2)cc1	ZINC000226863259	570462024	/nfs/dbraw/zinc/46/20/24/570462024.db2.gz	GAFVYGQQPHYGAX-UHFFFAOYSA-N	-2	3	392.658	3.618	40	10		GHCBHL
O=C1[N-]C(=O)N(c2ccccc2)C(=O)C1=Cc1cc(Br)ccc1[O-]	ZINC000083327281	570629045	/nfs/dbraw/zinc/62/90/45/570629045.db2.gz	GBKQFELQILHTFL-UKTHLTGXSA-N	-2	3	387.189	3.661	40	10		GHCBHL
Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)ccc2[O-])C1=O	ZINC000408885755	231124941	/nfs/dbraw/zinc/12/49/41/231124941.db2.gz	AFOOBBHOAACCNB-XYOKQWHBSA-N	-2	3	391.210	3.674	40	10		GHCBHL
Cc1cc(C=C2SC(=O)[N-]C2=O)c(C)n1-c1cc(C(=O)[O-])ccc1Cl	ZINC000408818106	231118707	/nfs/dbraw/zinc/11/87/07/231118707.db2.gz	XWRKWUYONKSRKM-AUWJEWJLSA-N	-2	3	376.821	3.770	40	10		GHCBHL
CCCCC[C@H](OC)c1c([O-])cc2c(c1O)C(=O)c1c(O)cc([O-])cc1C2=O	ZINC000013374816	560215444	/nfs/dbraw/zinc/21/54/44/560215444.db2.gz	RNOYIZPXILLZCR-HNNXBMFYSA-N	-2	3	386.400	3.552	40	10	biogenic,in-vitro	GHCBHL
Cc1cc(C=C2SC(=O)[N-]C2=O)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1	ZINC000059250279	570653058	/nfs/dbraw/zinc/65/30/58/570653058.db2.gz	VUQHZLXUPQXQED-MKMNVTDBSA-N	-2	3	376.821	3.770	40	10		GHCBHL
Cc1[n-]n(-c2ccc(C)c(Cl)c2)c(=O)c1C=Nc1ccc(O)c(C(=O)[O-])c1	ZINC000408531521	528150002	/nfs/dbraw/zinc/15/00/02/528150002.db2.gz	KPZMIPGBCSOWED-DHDCSXOGSA-N	-2	3	385.807	3.771	40	10		GHCBHL
Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)ccc2[O-])C1=O	ZINC000408891045	534146634	/nfs/dbraw/zinc/14/66/34/534146634.db2.gz	KJUHYIGKQLYTIB-NTUHNPAUSA-N	-2	3	391.210	3.674	40	10		GHCBHL
Cc1oc2c(ccc([O-])c2CN2CCC[C@H]2C(=O)[O-])c(=O)c1-c1ccc(F)cc1	ZINC000004029497	209231430	/nfs/dbraw/zinc/23/14/30/209231430.db2.gz	ZBEYEZOELOMFRG-KRWDZBQOSA-N	-2	3	397.402	3.662	40	10		GHCBHL
O=C1[N-]C(=S)N(c2ccccc2Cl)C(=O)/C1=C/c1ccc([O-])c(Cl)c1	ZINC000409242132	231186261	/nfs/dbraw/zinc/18/62/61/231186261.db2.gz	MNDZGSGWCCDBSL-JXMROGBWSA-N	-2	3	393.251	3.530	40	10		GHCBHL
O=C1[N-]C(=O)N(c2ccccc2)C(=O)C1=Cc1ccc([O-])c(Br)c1	ZINC000027904382	570444822	/nfs/dbraw/zinc/44/48/22/570444822.db2.gz	IUOZDNVNFMBUQU-WQLSENKSSA-N	-2	3	387.189	3.661	40	10		GHCBHL
O=C([O-])CCCCCN1C(=O)/C(=C\c2cc(Cl)ccc2[O-])SC1=S	ZINC000002798633	570989392	/nfs/dbraw/zinc/98/93/92/570989392.db2.gz	OVTJEZNVVSKFIN-UKTHLTGXSA-N	-2	3	385.894	3.892	40	10		GHCBHL