smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#CCCSc1ccccc1[N-]S(=O)(=O)c1cccc(Cl)c1[O-]	ZINC000436477268	569966243	/nfs/dbraw/zinc/96/62/43/569966243.db2.gz	LIBMEOJFEZJTJR-UHFFFAOYSA-N	-2	1	368.867	3.852	20	30		FHEDML
N#Cc1ccc([C@@H](OC(=O)c2ccc(Cl)c(Cl)c2[O-])C(=O)[O-])cc1	ZINC000739116130	600617306	/nfs/dbraw/zinc/61/73/06/600617306.db2.gz	ZTCBJSWSJWRWNH-CQSZACIVSA-N	-2	1	366.156	3.553	20	30		FHEDML
C=C(C)COc1cccc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)c1	ZINC000825647220	601329023	/nfs/dbraw/zinc/32/90/23/601329023.db2.gz	HEEDMBOJZMAUSK-DHZHZOJOSA-N	-2	1	373.430	3.540	20	30		FHEDML
N#Cc1ccc([C@H](OC(=O)c2ccc(Cl)c(Cl)c2[O-])C(=O)[O-])cc1	ZINC000739116125	600617218	/nfs/dbraw/zinc/61/72/18/600617218.db2.gz	ZTCBJSWSJWRWNH-AWEZNQCLSA-N	-2	1	366.156	3.553	20	30		FHEDML
C=C(C)COc1cccc([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)c1	ZINC000825647222	601328722	/nfs/dbraw/zinc/32/87/22/601328722.db2.gz	HEEDMBOJZMAUSK-FLIBITNWSA-N	-2	1	373.430	3.540	20	30		FHEDML
CCOc1cc(/C=C\C(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc(Cl)c1[O-]	ZINC000255343642	932408138	/nfs/dbraw/zinc/40/81/38/932408138.db2.gz	HHIPBUUEJOMQTN-HYXAFXHYSA-N	-2	1	363.753	3.954	20	30		FHEDML
Cc1cc(/C=C2\CCc3cc([O-])ccc3C2=O)cc(C)c1OCC(=O)[O-]	ZINC000738378749	599802002	/nfs/dbraw/zinc/80/20/02/599802002.db2.gz	IXFNBZRJJFDSRO-CXUHLZMHSA-N	-2	1	352.386	3.685	20	30		FHEDML
O=C(/C=C\c1ccc([O-])c(Br)c1)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000255572849	938323513	/nfs/dbraw/zinc/32/35/13/938323513.db2.gz	GWGPNSJHQLZOGM-RJRFIUFISA-N	-2	1	364.151	3.665	20	30		FHEDML
Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cc2ccccc2cc1C(=O)[O-]	ZINC000734119656	600492570	/nfs/dbraw/zinc/49/25/70/600492570.db2.gz	CZRWFSGFWFDNFA-UHFFFAOYSA-N	-2	1	366.398	3.519	20	30		FHEDML
N#Cc1cccc([C@H](OC(=O)c2ccc(Cl)c(Cl)c2[O-])C(=O)[O-])c1	ZINC000833077434	601353392	/nfs/dbraw/zinc/35/33/92/601353392.db2.gz	SKQCRDFNRMRNQR-AWEZNQCLSA-N	-2	1	366.156	3.553	20	30		FHEDML
N#Cc1cccc([C@@H](OC(=O)c2ccc(Cl)c(Cl)c2[O-])C(=O)[O-])c1	ZINC000833077435	601353441	/nfs/dbraw/zinc/35/34/41/601353441.db2.gz	SKQCRDFNRMRNQR-CQSZACIVSA-N	-2	1	366.156	3.553	20	30		FHEDML
Cc1cc(/C=C2/CCc3cc([O-])ccc3C2=O)cc(C)c1OCC(=O)[O-]	ZINC000738378751	599801982	/nfs/dbraw/zinc/80/19/82/599801982.db2.gz	IXFNBZRJJFDSRO-SXGWCWSVSA-N	-2	1	352.386	3.685	20	30		FHEDML
Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc2ccccc2cc1C(=O)[O-]	ZINC000738317947	600693620	/nfs/dbraw/zinc/69/36/20/600693620.db2.gz	CNYNHFDVHQVYGT-UHFFFAOYSA-N	-2	1	366.398	3.519	20	30		FHEDML