smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C#CCN(Cc1ccc2nc(N)[n-]c(=S)c2c1)c1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000028100501	563056043	/nfs/dbraw/zinc/05/60/43/563056043.db2.gz	CJFNIXHGCDXVEF-LJQANCHMSA-N	-3	3	493.545	2.562	1	30		JFEFHL
C=CCc1c([O-])c(C(C)=O)ccc1OC[C@@H](O)COc1ccc2c(=O)cc(C(=O)[O-])oc2c1	ZINC000039213236	563136421	/nfs/dbraw/zinc/13/64/21/563136421.db2.gz	LODBDPQVYRQQLG-AWEZNQCLSA-N	-2	3	454.431	2.947	1	30		JFEFHL
O=C(NCCc1ccc(Br)cc1)[C@H](CC#Cc1ccccc1F)NCP(=O)([O-])[O-]	ZINC000013779392	562991491	/nfs/dbraw/zinc/99/14/91/562991491.db2.gz	NJDKTECRJPWYTH-IBGZPJMESA-N	-2	3	483.274	2.782	1	30		JFEFHL
C=CCc1c([O-])c(C(C)=O)ccc1OC[C@H](O)COc1ccc2c(=O)cc(C(=O)[O-])oc2c1	ZINC000039213235	563136423	/nfs/dbraw/zinc/13/64/23/563136423.db2.gz	LODBDPQVYRQQLG-CQSZACIVSA-N	-2	3	454.431	2.947	1	30		JFEFHL
Cc1cc(=O)c2c([O-])c(C=NCCN=Cc3c([O-])cc4oc(C)cc(=O)c4c3[O-])c([O-])cc2o1	ZINC000049072476	563201478	/nfs/dbraw/zinc/20/14/78/563201478.db2.gz	BMCOAKZTSIJYSU-ZZULHHKVSA-N	-4	3	464.430	2.877	1	30		JFEFHL
O=C([O-])CCN(C1(C(=O)N[O-])CCCC1)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	ZINC000034000059	563111626	/nfs/dbraw/zinc/11/16/26/563111626.db2.gz	VHHGUBHZBLPTKL-UHFFFAOYSA-N	-2	3	466.487	2.902	1	30		JFEFHL
O=C([O-])CCN(C1(C(=O)N[O-])CCC1)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	ZINC000013561009	562975511	/nfs/dbraw/zinc/97/55/11/562975511.db2.gz	PDCBVHDMAFCHPK-UHFFFAOYSA-N	-2	3	452.460	2.512	1	30		JFEFHL
C[C@H](C(=O)N[O-])N(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)c1cc(Cl)cc(Cl)c1[O-]	ZINC000026376161	563026106	/nfs/dbraw/zinc/02/61/06/563026106.db2.gz	SBAIIMSDOQZSFY-SECBINFHSA-N	-2	3	464.283	2.692	1	30		JFEFHL
C#CCN(Cc1ccc2nc[n-]c(=S)c2c1)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000013820640	562997433	/nfs/dbraw/zinc/99/74/33/562997433.db2.gz	SVOPWQHENMPODP-FQEVSTJZSA-N	-3	3	478.530	2.606	1	30		JFEFHL
C#CCN(Cc1ccc2nc(Cl)[n-]c(=O)c2c1)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000027652386	563048723	/nfs/dbraw/zinc/04/87/23/563048723.db2.gz	VKSTVORHLVUVDG-IBGZPJMESA-N	-3	3	496.907	2.676	1	30		JFEFHL
C#CCN(Cc1ccc2nc(N)[n-]c(=S)c2c1)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000013820643	562997445	/nfs/dbraw/zinc/99/74/45/562997445.db2.gz	CJFNIXHGCDXVEF-IBGZPJMESA-N	-3	3	493.545	2.562	1	30		JFEFHL
C[C@@H](C(=O)N[O-])N(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)c1cc(Cl)cc(Cl)c1[O-]	ZINC000013863171	563003263	/nfs/dbraw/zinc/00/32/63/563003263.db2.gz	SBAIIMSDOQZSFY-VIFPVBQESA-N	-2	3	464.283	2.692	1	30		JFEFHL
C[C@H](C(=O)N[O-])N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cc(Cl)cc(Cl)c1[O-]	ZINC000027558136	563046643	/nfs/dbraw/zinc/04/66/43/563046643.db2.gz	ZYHNUHSLMAJAAL-SECBINFHSA-N	-2	3	464.283	2.692	1	30		JFEFHL
C[C@@H](C[C@@H](COC(=O)CCC(=O)[O-])NC(=O)c1ccc(Oc2ccccc2)cc1)C(=O)N[O-]	ZINC000013558896	562974437	/nfs/dbraw/zinc/97/44/37/562974437.db2.gz	STDLDNSJNOVMBK-RDJZCZTQSA-N	-2	3	458.467	2.517	1	30		JFEFHL
O=C([O-])[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CC#Cc1ccccc1F)NCP(=O)([O-])[O-]	ZINC000013779373	562991379	/nfs/dbraw/zinc/99/13/79/562991379.db2.gz	CZZZCPCMXBFLPX-GOTSBHOMSA-N	-3	3	498.447	2.626	1	30		JFEFHL
C#CCN(Cc1ccc2nc(Cl)[n-]c(=O)c2c1)c1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000027652382	563048712	/nfs/dbraw/zinc/04/87/12/563048712.db2.gz	VKSTVORHLVUVDG-LJQANCHMSA-N	-3	3	496.907	2.676	1	30		JFEFHL
C#CCN(Cc1ccc2nc[n-]c(=S)c2c1)c1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000028105825	563056237	/nfs/dbraw/zinc/05/62/37/563056237.db2.gz	SVOPWQHENMPODP-HXUWFJFHSA-N	-3	3	478.530	2.606	1	30		JFEFHL
C[C@@H](C(=O)N[O-])N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cc(Cl)cc(Cl)c1[O-]	ZINC000013840103	563001692	/nfs/dbraw/zinc/00/16/92/563001692.db2.gz	ZYHNUHSLMAJAAL-VIFPVBQESA-N	-2	3	464.283	2.692	1	30		JFEFHL