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([N-]C(F)(F)F)NCCCO	217266859	573267353	/nfs/dbraw/zinc/26/73/53/573267353.db2.gz	BUOUXQPEUACSHL-UHFFFAOYSA-N	-1	3	186.133	0.188	10	70		ACIEHM
CN(CCO)C(=O)[N-]C(F)(F)F	217266915	573268695	/nfs/dbraw/zinc/26/86/95/573268695.db2.gz	KBMFFARRKJOLSE-UHFFFAOYSA-N	-1	3	186.133	0.140	10	70		ACIEHM
C[C@H](O)CNC(=O)[N-]C(F)(F)F	217266805	573272811	/nfs/dbraw/zinc/27/28/11/573272811.db2.gz	PBGSWKOIHGPLGD-VKHMYHEASA-N	-1	3	186.133	0.186	10	70		ACIEHM
Nc1ccc([O-])c2[n-][n+](=O)ccc12	217660873	574009066	/nfs/dbraw/zinc/00/90/66/574009066.db2.gz	BFVFURBDNHBYRL-UHFFFAOYSA-O	-1	3	178.171	0.370	10	70		ACIEHM
Cc1cc(=O)[n-]c(C[C@H]2CCOC2)n1	160811836	344178459	/nfs/dbraw/zinc/17/84/59/344178459.db2.gz	ACMMDAYBTWKRAL-MRVPVSSYSA-N	-1	3	194.234	0.657	10	70		ACIEHM
N=C1N[C@@H](c2cc([O-])cc(F)c2)CO1	159788287	344152144	/nfs/dbraw/zinc/15/21/44/344152144.db2.gz	SFKUZJVBHQHNJQ-MRVPVSSYSA-N	-1	3	196.181	0.917	10	70		ACIEHM
O=c1ccnc(C[C@H]2CCCCO2)[n-]1	159776564	344152175	/nfs/dbraw/zinc/15/21/75/344152175.db2.gz	UIGREVMOFUFQHS-MRVPVSSYSA-N	-1	3	194.234	0.882	10	70		ACIEHM
O=c1ccnc(C[C@@H]2CCCCO2)[n-]1	159776427	344152216	/nfs/dbraw/zinc/15/22/16/344152216.db2.gz	UIGREVMOFUFQHS-QMMMGPOBSA-N	-1	3	194.234	0.882	10	70		ACIEHM
O=C1CN(Cc2cncs2)C(=O)[N-]1	159782440	344152276	/nfs/dbraw/zinc/15/22/76/344152276.db2.gz	AEYMMDVSMNVMTI-UHFFFAOYSA-N	-1	3	197.219	0.195	10	70		ACIEHM
N=C1N[C@H](c2cc([O-])cc(F)c2)CO1	159788155	344152351	/nfs/dbraw/zinc/15/23/51/344152351.db2.gz	SFKUZJVBHQHNJQ-QMMMGPOBSA-N	-1	3	196.181	0.917	10	70		ACIEHM
COc1cc2c(cc1F)[N-]C(=O)C2=O	160365501	344163408	/nfs/dbraw/zinc/16/34/08/344163408.db2.gz	AQBYPUUOEHLDFJ-UHFFFAOYSA-N	-1	3	195.149	0.969	10	70		ACIEHM
O=c1ccnc(C[C@H]2CCOC2)[n-]1	160812060	344178092	/nfs/dbraw/zinc/17/80/92/344178092.db2.gz	DJZVFJQAJXIQAD-SSDOTTSWSA-N	-1	3	180.207	0.349	10	70		ACIEHM
Cc1cc(=O)[n-]c(C[C@@H]2CCOC2)n1	160811753	344178339	/nfs/dbraw/zinc/17/83/39/344178339.db2.gz	ACMMDAYBTWKRAL-QMMMGPOBSA-N	-1	3	194.234	0.657	10	70		ACIEHM
O=c1ccnc(C[C@@H]2CCOC2)[n-]1	160811932	344178388	/nfs/dbraw/zinc/17/83/88/344178388.db2.gz	DJZVFJQAJXIQAD-ZETCQYMHSA-N	-1	3	180.207	0.349	10	70		ACIEHM
O=C([N-]C(F)(F)F)NC1CC1	217267051	573271345	/nfs/dbraw/zinc/27/13/45/573271345.db2.gz	BUBJEECDXMFNHE-UHFFFAOYSA-N	-1	3	168.118	0.968	10	70		ACIEHM
C[C@@H](O)CNC(=O)[N-]C(F)(F)F	217266804	573274329	/nfs/dbraw/zinc/27/43/29/573274329.db2.gz	PBGSWKOIHGPLGD-GSVOUGTGSA-N	-1	3	186.133	0.186	10	70		ACIEHM
O=C(C=S(=O)([O-])Cl)C1CCC1	258165514	573865168	/nfs/dbraw/zinc/86/51/68/573865168.db2.gz	TZUGRCPVCSQGIC-UHFFFAOYSA-N	-1	3	196.655	0.924	10	70		ACIEHM