smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)N1CCc2c(c3ccccc3n2Cc2nc(-c3ccc([O-])cc3F)no2)C1	ZINC000436881970	862059044	/nfs/dbraw/zinc/05/90/44/862059044.db2.gz	ZJVXDVQQMILTOA-UHFFFAOYSA-N	-1	3	406.461	4.351	20	10		HICDHM
CCc1cc(=O)[n-]c(-c2ccc(N(C)Cc3ccc(N4CCCCC4)cc3)nc2)n1	ZINC000301155306	854314685	/nfs/dbraw/zinc/31/46/85/854314685.db2.gz	BHGSUKPBEYBKTH-UHFFFAOYSA-N	-1	3	403.530	4.433	20	10		HICDHM
Cc1c2ccccc2n(C)c1CNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1	ZINC000526934998	930551734	/nfs/dbraw/zinc/55/17/34/930551734.db2.gz	GVIAJXXIILKONO-UHFFFAOYSA-N	-1	3	424.298	4.021	20	10		HICDHM
CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(NS(C)(=O)=O)c(Cl)c2)cc1	ZINC000028257147	847399911	/nfs/dbraw/zinc/39/99/11/847399911.db2.gz	UPBCGIBAJLFRME-GFCCVEGCSA-N	-1	3	416.952	4.026	20	10		HICDHM
O=[N+]([O-])c1ccc([O-])c(CN[C@H](Cn2cnc3ccccc32)c2ccc(F)cc2)c1	ZINC000238089025	854142830	/nfs/dbraw/zinc/14/28/30/854142830.db2.gz	NEIDREDCIPBCTD-HXUWFJFHSA-N	-1	3	406.417	4.320	20	10		HICDHM
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cc(Cc2ccccc2)ccc1[O-]	ZINC000110230786	853076885	/nfs/dbraw/zinc/07/68/85/853076885.db2.gz	BRIKSHRMOZDREH-UHFFFAOYSA-N	-1	3	416.521	4.092	20	10		HICDHM
O=[N+]([O-])c1ccc([O-])c(CN[C@@H](Cn2cnc3ccccc32)c2ccc(F)cc2)c1	ZINC000238087046	854141825	/nfs/dbraw/zinc/14/18/25/854141825.db2.gz	NEIDREDCIPBCTD-FQEVSTJZSA-N	-1	3	406.417	4.320	20	10		HICDHM
CCOc1cc(/C=C2\SC(N3CCCCC3)=NC2=O)cc(Br)c1[O-]	ZINC000048417506	849219156	/nfs/dbraw/zinc/21/91/56/849219156.db2.gz	DZAKYBIPNHHYJT-UVTDQMKNSA-N	-1	3	411.321	4.010	20	10		HICDHM
COc1ccc(N2CCCN(C(=O)c3cc(Cc4ccccc4)ccc3[O-])CC2)cc1	ZINC000110228442	853075940	/nfs/dbraw/zinc/07/59/40/853075940.db2.gz	NPEUOJWUHDPRNH-UHFFFAOYSA-N	-1	3	416.521	4.344	20	10		HICDHM
CCOc1cc(/C=C2/SC(N3CCCCC3)=NC2=O)cc(Br)c1[O-]	ZINC000213201829	853824439	/nfs/dbraw/zinc/82/44/39/853824439.db2.gz	DZAKYBIPNHHYJT-GXDHUFHOSA-N	-1	3	411.321	4.010	20	10		HICDHM
Cc1c2ccccc2n(C)c1CNC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1	ZINC000471205701	885777608	/nfs/dbraw/zinc/77/76/08/885777608.db2.gz	VZSHREXMPXURPQ-UHFFFAOYSA-N	-1	3	401.470	4.279	20	10		HICDHM
CC(C)N1CCc2c(c3ccccc3n2Cc2nc(-c3ccc([O-])c(F)c3)no2)C1	ZINC000436878984	862057185	/nfs/dbraw/zinc/05/71/85/862057185.db2.gz	LPJCQDNLRHAHRG-UHFFFAOYSA-N	-1	3	406.461	4.351	20	10		HICDHM
CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(NS(C)(=O)=O)c(Cl)c2)cc1	ZINC000028257153	847399988	/nfs/dbraw/zinc/39/99/88/847399988.db2.gz	UPBCGIBAJLFRME-LBPRGKRZSA-N	-1	3	416.952	4.026	20	10		HICDHM
CN(C)c1ccc2c(c1)OCCN2C(=O)c1cc(OCc2ccccc2)ccc1[O-]	ZINC000436570561	861855942	/nfs/dbraw/zinc/85/59/42/861855942.db2.gz	AHCCENFLQZONBM-UHFFFAOYSA-N	-1	3	404.466	4.076	20	10		HICDHM
CCOCCOc1ccc(S(=O)(=O)[N-]c2cccc(N3CCC(C)CC3)c2)cc1	ZINC000303790523	855200472	/nfs/dbraw/zinc/20/04/72/855200472.db2.gz	IBJOKWSPZUXROH-UHFFFAOYSA-N	-1	3	418.559	4.139	20	10		HICDHM