smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(C)c(/N=C2/SC(CC(=O)Nc3ccc(C(=O)[O-])cc3)C(=O)N2C)c1	ZINC000000969161	557127507	/nfs/dbraw/zinc/12/75/07/557127507.db2.gz	QQAVUZHBDDQGMI-IJCFDHGGSA-N	-1	2	411.483	3.592	40	30		HHEBLM
Cc1ccc(C)c(/N=C2/S[C@H](CC(=O)Nc3ccc(C(=O)[O-])cc3)C(=O)N2C)c1	ZINC000000969161	557127512	/nfs/dbraw/zinc/12/75/12/557127512.db2.gz	QQAVUZHBDDQGMI-IJCFDHGGSA-N	-1	2	411.483	3.592	40	30		HHEBLM
Cc1cccc(C)c1/N=C1\SC(CC(=O)Nc2ccc(C(=O)[O-])cc2)C(=O)N1C	ZINC000004492385	557559358	/nfs/dbraw/zinc/55/93/58/557559358.db2.gz	NNTOWDYTUJAESI-FRKCRFBYSA-N	-1	2	411.483	3.592	40	30		HHEBLM
Cc1cccc(C)c1/N=C1\S[C@@H](CC(=O)Nc2ccc(C(=O)[O-])cc2)C(=O)N1C	ZINC000004492385	557559362	/nfs/dbraw/zinc/55/93/62/557559362.db2.gz	NNTOWDYTUJAESI-FRKCRFBYSA-N	-1	2	411.483	3.592	40	30		HHEBLM
Cc1cccc(C)c1/N=C1\SC(CC(=O)Nc2ccc(C(=O)[O-])cc2)C(=O)N1C	ZINC000004492387	557559427	/nfs/dbraw/zinc/55/94/27/557559427.db2.gz	NNTOWDYTUJAESI-DLTPIXJPSA-N	-1	2	411.483	3.592	40	30		HHEBLM
Cc1cccc(C)c1/N=C1\S[C@H](CC(=O)Nc2ccc(C(=O)[O-])cc2)C(=O)N1C	ZINC000004492387	557559429	/nfs/dbraw/zinc/55/94/29/557559429.db2.gz	NNTOWDYTUJAESI-DLTPIXJPSA-N	-1	2	411.483	3.592	40	30		HHEBLM
CCN1C(=O)/C(=C/c2ccc(O)c([N+](=O)[O-])c2)SC1=Nc1ccc(C(=O)[O-])cc1	ZINC000408961130	560658191	/nfs/dbraw/zinc/65/81/91/560658191.db2.gz	AITYSOSRLAZXTC-YRXZHPSBSA-N	-1	2	413.411	3.623	40	30		HHEBLM
Cc1ccc(/N=C2/SC(CC(=O)Nc3cccc(C(=O)[O-])c3)C(=O)N2C)cc1C	ZINC000059254545	558932957	/nfs/dbraw/zinc/93/29/57/558932957.db2.gz	QKPFAYPRXXIART-BIBRTQAFSA-N	-1	2	411.483	3.592	40	30		HHEBLM
CCc1ccc(/N=C2/SC(CC(=O)Nc3ccc(C(=O)[O-])cc3)C(=O)N2C)cc1	ZINC000004820318	557602512	/nfs/dbraw/zinc/60/25/12/557602512.db2.gz	SJFAPDXEQXPIPJ-BIBRTQAFSA-N	-1	2	411.483	3.537	40	30		HHEBLM
C=CCc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1OCC(=O)[O-]	ZINC000059135543	568701253	/nfs/dbraw/zinc/70/12/53/568701253.db2.gz	WXPLDZBVFSBGKT-GZTJUZNOSA-N	-1	2	424.384	3.524	40	30		HHEBLM
Cc1c(N=C2S/C(=C\c3ccc(O)c([N+](=O)[O-])c3)C(=O)N2C)cccc1C(=O)[O-]	ZINC000408961084	560658112	/nfs/dbraw/zinc/65/81/12/560658112.db2.gz	AANXDSPVZAAOIS-OJAARZAFSA-N	-1	2	413.411	3.541	40	30		HHEBLM
CCN1C(=O)/C(=C/c2ccc(O)c([N+](=O)[O-])c2)SC1=Nc1cccc(C(=O)[O-])c1	ZINC000408963071	560658645	/nfs/dbraw/zinc/65/86/45/560658645.db2.gz	MFVRYOAXAJDWAS-OJAARZAFSA-N	-1	2	413.411	3.623	40	30		HHEBLM
Cc1ccc(C(=O)[O-])cc1N=C1S/C(=C\c2ccc(O)c([N+](=O)[O-])c2)C(=O)N1C	ZINC000408965728	560659121	/nfs/dbraw/zinc/65/91/21/560659121.db2.gz	XKBWXFCFEOENMJ-FIFUDLMOSA-N	-1	2	413.411	3.541	40	30		HHEBLM
Cc1ccc(C)c(/N=C2/SC(CC(=O)Nc3ccc(C(=O)[O-])cc3)C(=O)N2C)c1	ZINC000000969163	557127552	/nfs/dbraw/zinc/12/75/52/557127552.db2.gz	QQAVUZHBDDQGMI-BIBRTQAFSA-N	-1	2	411.483	3.592	40	30		HHEBLM
Cc1ccc(C)c(/N=C2/S[C@@H](CC(=O)Nc3ccc(C(=O)[O-])cc3)C(=O)N2C)c1	ZINC000000969163	557127557	/nfs/dbraw/zinc/12/75/57/557127557.db2.gz	QQAVUZHBDDQGMI-BIBRTQAFSA-N	-1	2	411.483	3.592	40	30		HHEBLM
CCc1ccc(/N=C2/SC(CC(=O)Nc3ccc(C(=O)[O-])cc3)C(=O)N2C)cc1	ZINC000004820319	557602484	/nfs/dbraw/zinc/60/24/84/557602484.db2.gz	SJFAPDXEQXPIPJ-IJCFDHGGSA-N	-1	2	411.483	3.537	40	30		HHEBLM
Cc1ccc(/N=C2/SC(CC(=O)Nc3cccc(C(=O)[O-])c3)C(=O)N2C)cc1C	ZINC000059254546	558932946	/nfs/dbraw/zinc/93/29/46/558932946.db2.gz	QKPFAYPRXXIART-IJCFDHGGSA-N	-1	2	411.483	3.592	40	30		HHEBLM
Cc1cc(C(=O)[O-])ccc1N=C1S/C(=C\c2ccc(O)c([N+](=O)[O-])c2)C(=O)N1C	ZINC000408962020	560658397	/nfs/dbraw/zinc/65/83/97/560658397.db2.gz	FORZVGMOKLFJLO-OJAARZAFSA-N	-1	2	413.411	3.541	40	30		HHEBLM