smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=S(=O)(Nc1ccccn1)c1ccc(N[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)cc1	ZINC000004522237	557563399	/nfs/dbraw/zinc/56/33/99/557563399.db2.gz	NNJGIBJVMXVVOP-HCVDEJBSSA-N	0	2	411.436	-0.906	40	0		HBABLN
O=S(=O)(Nc1ccccn1)c1ccc(N[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)cc1	ZINC000004522238	557563411	/nfs/dbraw/zinc/56/34/11/557563411.db2.gz	NNJGIBJVMXVVOP-IIHMKKKESA-N	0	2	411.436	-0.906	40	0		HBABLN
O=S(=O)(Nc1ccccn1)c1ccc(N[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)cc1	ZINC000004522239	557563297	/nfs/dbraw/zinc/56/32/97/557563297.db2.gz	NNJGIBJVMXVVOP-WFKFIOEPSA-N	0	2	411.436	-0.906	40	0		HBABLN
O=S(=O)(Nc1ccccn1)c1ccc(N[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)cc1	ZINC000004522241	557563375	/nfs/dbraw/zinc/56/33/75/557563375.db2.gz	NNJGIBJVMXVVOP-BYHHXJKWSA-N	0	2	411.436	-0.906	40	0		HBABLN
CC(=O)OC[C@H]1O[C@@H](O)[C@@H](NC(=O)C(F)(F)F)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000005052562	557630783	/nfs/dbraw/zinc/63/07/83/557630783.db2.gz	NNBSYZWMCHTYJQ-YBXAARCKSA-N	0	2	401.290	-0.823	40	0		HBABLN
CC(=O)OC[C@@H]1O[C@@H](O)[C@@H](NC(=O)C(F)(F)F)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000005052563	557630754	/nfs/dbraw/zinc/63/07/54/557630754.db2.gz	NNBSYZWMCHTYJQ-KKJSVHSVSA-N	0	2	401.290	-0.823	40	0		HBABLN
CC(=O)OC[C@H]1O[C@@H](O)[C@@H](NC(=O)C(F)(F)F)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000005052564	557630743	/nfs/dbraw/zinc/63/07/43/557630743.db2.gz	NNBSYZWMCHTYJQ-IYKVGLELSA-N	0	2	401.290	-0.823	40	0		HBABLN
CC(=O)OC[C@@H]1O[C@@H](O)[C@@H](NC(=O)C(F)(F)F)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000005052565	557630789	/nfs/dbraw/zinc/63/07/89/557630789.db2.gz	NNBSYZWMCHTYJQ-PREPNJAASA-N	0	2	401.290	-0.823	40	0		HBABLN
CSc1nc(N[C@H]2OC[C@@H](O)[C@@H](O)[C@H]2O)c(I)c(=O)[nH]1	ZINC000008652674	557798593	/nfs/dbraw/zinc/79/85/93/557798593.db2.gz	WSORRFJIALBNLK-BDXYJKHTSA-N	0	2	415.209	-0.640	40	0		HBABLN
CSc1nc(N[C@@H]2OC[C@@H](O)[C@@H](O)[C@H]2O)c(I)c(=O)[nH]1	ZINC000008652675	557798683	/nfs/dbraw/zinc/79/86/83/557798683.db2.gz	WSORRFJIALBNLK-UUOKFMHZSA-N	0	2	415.209	-0.640	40	0		HBABLN
O=C([O-])[C@H](Cc1c[nH]c[nH+]1)NC(=O)CNC(=O)CNC(=O)OCc1ccccc1	ZINC000015722043	558749940	/nfs/dbraw/zinc/74/99/40/558749940.db2.gz	PWNQBHDTOAIVDG-AWEZNQCLSA-N	0	2	403.395	-0.436	40	0		HBABLN
O=C([O-])[C@H](Cc1c[nH+]c[nH]1)NC(=O)CNC(=O)CNC(=O)OCc1ccccc1	ZINC000015722043	558749938	/nfs/dbraw/zinc/74/99/38/558749938.db2.gz	PWNQBHDTOAIVDG-AWEZNQCLSA-N	0	2	403.395	-0.436	40	0		HBABLN
CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)[O-])cc1	ZINC000016321369	558786242	/nfs/dbraw/zinc/78/62/42/558786242.db2.gz	PDRNUEPQTZJJID-HNNXBMFYSA-N	0	2	423.451	-0.151	40	0		HBABLN
CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)[O-])cc1	ZINC000016321369	558786236	/nfs/dbraw/zinc/78/62/36/558786236.db2.gz	PDRNUEPQTZJJID-HNNXBMFYSA-N	0	2	423.451	-0.151	40	0		HBABLN
CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)N[C@H](Cc2c[nH]c[nH+]2)C(=O)[O-])cc1	ZINC000016321371	558786212	/nfs/dbraw/zinc/78/62/12/558786212.db2.gz	PDRNUEPQTZJJID-OAHLLOKOSA-N	0	2	423.451	-0.151	40	0		HBABLN
CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)N[C@H](Cc2c[nH+]c[nH]2)C(=O)[O-])cc1	ZINC000016321371	558786209	/nfs/dbraw/zinc/78/62/09/558786209.db2.gz	PDRNUEPQTZJJID-OAHLLOKOSA-N	0	2	423.451	-0.151	40	0		HBABLN
COC(=O)c1cc(NS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc(C(=O)OC)c1	ZINC000223312436	568544893	/nfs/dbraw/zinc/54/48/93/568544893.db2.gz	ONYDILIGHQGGDD-UHFFFAOYSA-N	0	2	411.392	-0.542	40	0		HBABLN
Nc1nc2c(c(N)[nH+]1)C[C@]1(COCCN(C(=O)c3ccc(OCC(=O)[O-])cc3)C1)O2	ZINC000257233758	568785745	/nfs/dbraw/zinc/78/57/45/568785745.db2.gz	GQPNYHKTZOHRPG-IBGZPJMESA-N	0	2	415.406	-0.049	40	0		HBABLN
Nc1nc(N)c2c([nH+]1)O[C@]1(C2)COCCN(C(=O)c2ccc(OCC(=O)[O-])cc2)C1	ZINC000257233758	568785743	/nfs/dbraw/zinc/78/57/43/568785743.db2.gz	GQPNYHKTZOHRPG-IBGZPJMESA-N	0	2	415.406	-0.049	40	0		HBABLN
Nc1nc2c(c(N)[nH+]1)C[C@@]1(COCCN(C(=O)c3ccc(OCC(=O)[O-])cc3)C1)O2	ZINC000257233759	568785860	/nfs/dbraw/zinc/78/58/60/568785860.db2.gz	GQPNYHKTZOHRPG-LJQANCHMSA-N	0	2	415.406	-0.049	40	0		HBABLN
Nc1nc(N)c2c([nH+]1)O[C@@]1(C2)COCCN(C(=O)c2ccc(OCC(=O)[O-])cc2)C1	ZINC000257233759	568785858	/nfs/dbraw/zinc/78/58/58/568785858.db2.gz	GQPNYHKTZOHRPG-LJQANCHMSA-N	0	2	415.406	-0.049	40	0		HBABLN