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([O-])CN(Cc1cc2oc3ccccc3c2cc1[O-])CC(F)(F)F	ZINC000738607731	599993230	/nfs/dbraw/zinc/99/32/30/599993230.db2.gz	RKTSOSMZVCGANQ-UHFFFAOYSA-N	-2	3	353.296	3.741	20	10		FHCDHL
Cc1cc(O)c(C(C)C)cc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1C	ZINC000763290734	601493071	/nfs/dbraw/zinc/49/30/71/601493071.db2.gz	MGJABKFIEVMPAP-UHFFFAOYSA-N	-2	3	363.435	3.631	20	10		FHCDHL
CC(C)(C)c1ncc(CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])s1	ZINC000833450616	604636140	/nfs/dbraw/zinc/63/61/40/604636140.db2.gz	GBYDRMPXAZWCNY-UHFFFAOYSA-N	-2	3	368.886	3.886	20	10		FHCDHL
O=C([O-])CN(Cc1coc(-c2ccccc2)n1)Cc1cc(Cl)ccc1[O-]	ZINC000833249682	601007002	/nfs/dbraw/zinc/00/70/02/601007002.db2.gz	USDIIVCNFIUHDC-UHFFFAOYSA-N	-2	3	372.808	3.787	20	10		FHCDHL
O=C([O-])CN(Cc1cc(-c2ccccc2)no1)Cc1cc(Cl)ccc1[O-]	ZINC000739793202	600144766	/nfs/dbraw/zinc/14/47/66/600144766.db2.gz	BYZVBWJHXZGXIM-UHFFFAOYSA-N	-2	3	372.808	3.787	20	10		FHCDHL
CCCc1nc(CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])cs1	ZINC000737050471	600505711	/nfs/dbraw/zinc/50/57/11/600505711.db2.gz	LZIOPVJLUCQJGV-UHFFFAOYSA-N	-2	3	354.859	3.541	20	10		FHCDHL
CC(=O)c1cc(Cl)cc(CN2CC[C@@H](C(=O)[O-])c3ccccc32)c1[O-]	ZINC000833401106	604772093	/nfs/dbraw/zinc/77/20/93/604772093.db2.gz	PTIYRQRCXJPDOG-OAHLLOKOSA-N	-2	3	359.809	3.827	20	10		FHCDHL
Cc1cc(O)c(C(C)C)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C	ZINC000755984449	601493228	/nfs/dbraw/zinc/49/32/28/601493228.db2.gz	KCPLJEOBQYPLAT-UHFFFAOYSA-N	-2	3	363.435	3.631	20	10		FHCDHL
O=C([O-])CN(Cc1nc2ccccc2s1)Cc1cc(Cl)ccc1[O-]	ZINC000739799410	600145745	/nfs/dbraw/zinc/14/57/45/600145745.db2.gz	GDSIXOGBUMTTLQ-UHFFFAOYSA-N	-2	3	362.838	3.742	20	10		FHCDHL
Cc1cc(O)c(C(C)C)cc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1	ZINC000755986286	601491899	/nfs/dbraw/zinc/49/18/99/601491899.db2.gz	QSXGLMZIFGDYOB-UHFFFAOYSA-N	-2	3	363.435	3.631	20	10		FHCDHL
O=C([O-])CN(Cc1ncc(-c2ccccc2)o1)Cc1cc(Cl)ccc1[O-]	ZINC000739799511	600145440	/nfs/dbraw/zinc/14/54/40/600145440.db2.gz	SBLGTEXADWSROH-UHFFFAOYSA-N	-2	3	372.808	3.787	20	10		FHCDHL
CC(C)(C)c1nc(CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])cs1	ZINC000736302692	600314186	/nfs/dbraw/zinc/31/41/86/600314186.db2.gz	CCFFPQFPWMUCNO-UHFFFAOYSA-N	-2	3	368.886	3.886	20	10		FHCDHL
CC(C)c1nc(CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])cs1	ZINC000736526619	600313783	/nfs/dbraw/zinc/31/37/83/600313783.db2.gz	YXMVEVPEKGJCAR-UHFFFAOYSA-N	-2	3	354.859	3.712	20	10		FHCDHL
CC(C)Cc1ncc(CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])s1	ZINC000833493059	604635782	/nfs/dbraw/zinc/63/57/82/604635782.db2.gz	IXFAPEADMDBQPW-UHFFFAOYSA-N	-2	3	368.886	3.787	20	10		FHCDHL
CC(=O)c1cc(Cl)cc(CN2C[C@H](CC(=O)[O-])c3ccccc32)c1[O-]	ZINC000825946768	601421537	/nfs/dbraw/zinc/42/15/37/601421537.db2.gz	PCSRWPORYFCHFR-LBPRGKRZSA-N	-2	3	359.809	3.827	20	10		FHCDHL
CCCCc1nc(CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])cs1	ZINC000737003360	600144496	/nfs/dbraw/zinc/14/44/96/600144496.db2.gz	GKRCIPAJCJXLJD-UHFFFAOYSA-N	-2	3	368.886	3.932	20	10		FHCDHL
Cc1cc(O)c(C(C)C)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C)c1	ZINC000795329122	601493222	/nfs/dbraw/zinc/49/32/22/601493222.db2.gz	BBPUHXHZFQWVRZ-UHFFFAOYSA-N	-2	3	363.435	3.631	20	10		FHCDHL
CC(=O)c1cc(Cl)cc(CN2CC[C@H](C(=O)[O-])c3ccccc32)c1[O-]	ZINC000833401105	604772068	/nfs/dbraw/zinc/77/20/68/604772068.db2.gz	PTIYRQRCXJPDOG-HNNXBMFYSA-N	-2	3	359.809	3.827	20	10		FHCDHL
Cc1cc(O)c(C(C)C)cc1[N-]S(=O)(=O)c1cccc(C)c1C(=O)[O-]	ZINC000832900239	601492775	/nfs/dbraw/zinc/49/27/75/601492775.db2.gz	UNVCHHXIZHOVID-UHFFFAOYSA-N	-2	3	363.435	3.631	20	10		FHCDHL
CC(=O)c1cc(Cl)cc(CN2C[C@@H](CC(=O)[O-])c3ccccc32)c1[O-]	ZINC000825946767	601421619	/nfs/dbraw/zinc/42/16/19/601421619.db2.gz	PCSRWPORYFCHFR-GFCCVEGCSA-N	-2	3	359.809	3.827	20	10		FHCDHL
Cc1cc(O)c(C(C)C)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1C	ZINC000757658879	601491743	/nfs/dbraw/zinc/49/17/43/601491743.db2.gz	WKTXSVZQRDUATM-UHFFFAOYSA-N	-2	3	363.435	3.631	20	10		FHCDHL