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-])CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[O-]	ZINC000026502102	563029208	/nfs/dbraw/zinc/02/92/08/563029208.db2.gz	UAIITDYGRPOVMA-WOJBJXKFSA-N	-2	3	482.493	1.860	1	30		JDEFHL
CCCCCCCCCc1nc2c(ncn2[C@H]2O[C@@H](COP(=O)([O-])[O-])[C@H](O)[C@@H]2O)c(=O)[n-]1	ZINC000049771797	563203509	/nfs/dbraw/zinc/20/35/09/563203509.db2.gz	IFNIJFNEVBNCCA-DLLGKBFGSA-N	-3	3	474.451	1.554	1	30		JDEFHL
CCCCCCCCCCc1nc2c(ncn2[C@H]2O[C@@H](COP(=O)([O-])[O-])[C@H](O)[C@@H]2O)c(=O)[n-]1	ZINC000049785697	563203800	/nfs/dbraw/zinc/20/38/00/563203800.db2.gz	SZFMTNIJNXWXIP-FDRFZEDHSA-N	-3	3	488.478	1.944	1	30		JDEFHL
COc1ccc(S(=O)(=O)N2Cc3cc(NC(=O)CCC(=O)[O-])ccc3C[C@@H]2C(=O)N[O-])cc1	ZINC000003939393	562930242	/nfs/dbraw/zinc/93/02/42/562930242.db2.gz	QFZXMLHPDXMOKQ-GOSISDBHSA-N	-2	3	477.495	1.120	1	30		JDEFHL
CC(C)(C)[C@H](NC(=O)[C@H](CCCCOc1ccccc1)CC(=O)N[O-])C(=O)NCCC(=O)[O-]	ZINC000013742005	562987228	/nfs/dbraw/zinc/98/72/28/562987228.db2.gz	KWXOWVYUSBDBIB-OXQOHEQNSA-N	-2	3	465.547	1.869	1	30		JDEFHL
O=C([O-])CC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[O-]	ZINC000026502105	563029165	/nfs/dbraw/zinc/02/91/65/563029165.db2.gz	UAIITDYGRPOVMA-VQTJNVASSA-N	-2	3	482.493	1.860	1	30		JDEFHL
CC(=O)N([O-])CCCCCNC(=O)c1cccc(C(=O)NCCCCCN([O-])C(C)=O)n1	ZINC000026976001	563038468	/nfs/dbraw/zinc/03/84/68/563038468.db2.gz	UWYGRWRWWBGBFH-UHFFFAOYSA-N	-2	3	451.524	1.357	1	30		JDEFHL
O=C[C@H](CC(=O)[O-])NC(=O)[C@@H](CCCCNS(=O)(=O)c1ccc([O-])cc1)c1ccccc1	ZINC000013553893	562973513	/nfs/dbraw/zinc/97/35/13/562973513.db2.gz	IQJIKHFJPIUTJF-PXNSSMCTSA-N	-2	3	462.524	1.783	1	30		JDEFHL
O=C([O-])[C@H](CC#Cc1ccccc1F)NC(=O)[C@H](CC#Cc1ccccc1F)NCP(=O)([O-])[O-]	ZINC000013779375	562991479	/nfs/dbraw/zinc/99/14/79/562991479.db2.gz	LEUUZEFIWDNUGB-SFTDATJTSA-N	-3	3	490.399	1.811	1	30		JDEFHL
CO[C@]12O[C@H](O)C3=C1[C@@](C)(CCC3=O)c1cc3c(OS(=O)(=O)[O-])ccc([O-])c3cc1C2=O	ZINC000058541132	563207137	/nfs/dbraw/zinc/20/71/37/563207137.db2.gz	VEGXLIPPUQZJQC-ACRUOGEOSA-N	-2	3	462.432	1.532	1	30		JDEFHL
C#CCN(Cc1ccc2nc(OC)[n-]c(=O)c2c1)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000026826253	563035940	/nfs/dbraw/zinc/03/59/40/563035940.db2.gz	AJJBCKYMURNWIQ-FQEVSTJZSA-N	-3	3	492.488	1.619	1	30		JDEFHL
CCCCCCCCc1nc2c(ncn2[C@H]2O[C@@H](COP(=O)([O-])[O-])[C@H](O)[C@@H]2O)c(=O)[n-]1	ZINC000049792926	563203922	/nfs/dbraw/zinc/20/39/22/563203922.db2.gz	ULHLQZBLXBEFDP-HEWDHTHVSA-N	-3	3	460.424	1.163	1	30		JDEFHL
COc1ccc(S(=O)(=O)N2Cc3cc(NC(=O)CCC(=O)[O-])ccc3C[C@H]2C(=O)N[O-])cc1	ZINC000001546428	562921056	/nfs/dbraw/zinc/92/10/56/562921056.db2.gz	QFZXMLHPDXMOKQ-SFHVURJKSA-N	-2	3	477.495	1.120	1	30		JDEFHL
O=C[C@H](CC(=O)[O-])NC(=O)[C@H](CCCCNS(=O)(=O)c1ccc([O-])cc1)c1ccccc1	ZINC000013553894	562973516	/nfs/dbraw/zinc/97/35/16/562973516.db2.gz	IQJIKHFJPIUTJF-FXAWDEMLSA-N	-2	3	462.524	1.783	1	30		JDEFHL
C#CCN(Cc1ccc2nc(C)[nH]c(=O)c2c1)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])c([O-])c1	ZINC000026828353	563036080	/nfs/dbraw/zinc/03/60/80/563036080.db2.gz	NPPXGMXBDKKFEF-FQEVSTJZSA-N	-3	3	492.488	1.625	1	30		JDEFHL
Cc1cccc(S(=O)([O-])=NC(=O)NCCNC(=O)N=S(=O)([O-])c2cccc(C)c2)c1	ZINC000040424335	563142841	/nfs/dbraw/zinc/14/28/41/563142841.db2.gz	CLHMNUWPSDCYOS-UHFFFAOYSA-N	-2	3	454.530	1.388	1	30		JDEFHL
CCCCCCCCCc1nc2c(ncn2[C@@H]2O[C@@H](COP(=O)([O-])[O-])[C@H](O)[C@@H]2O)c(=O)[n-]1	ZINC000049771798	563203527	/nfs/dbraw/zinc/20/35/27/563203527.db2.gz	IFNIJFNEVBNCCA-BMYCAMMWSA-N	-3	3	474.451	1.554	1	30		JDEFHL
CCCCCCCCCCc1nc2c(ncn2[C@@H]2O[C@@H](COP(=O)([O-])[O-])[C@H](O)[C@@H]2O)c(=O)[n-]1	ZINC000049785698	563203833	/nfs/dbraw/zinc/20/38/33/563203833.db2.gz	SZFMTNIJNXWXIP-VZYKRBATSA-N	-3	3	488.478	1.944	1	30		JDEFHL
C#CCN(Cc1ccc2nc(OC)[n-]c(=O)c2c1)c1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000027652378	563048721	/nfs/dbraw/zinc/04/87/21/563048721.db2.gz	AJJBCKYMURNWIQ-HXUWFJFHSA-N	-3	3	492.488	1.619	1	30		JDEFHL
CC#CCOc1ccc(S(=O)(=O)N2C[C@H](CC(=O)[O-])SC(C)(C)[C@@H]2C(=O)N[O-])cc1	ZINC000028572481	563071379	/nfs/dbraw/zinc/07/13/79/563071379.db2.gz	VDJRMQXPNKTLQA-YOEHRIQHSA-N	-2	3	456.542	1.322	1	30		JDEFHL
CCCCCCCCS(=O)(=O)[N-]c1ccc[n+](CC(P(=O)([O-])[O-])P(=O)([O-])[O-])c1	ZINC000042890061	563163463	/nfs/dbraw/zinc/16/34/63/563163463.db2.gz	LCGMDYOONRPWIE-UHFFFAOYSA-O	-4	3	459.418	1.758	1	30		JDEFHL
CCCCCCCCc1nc2c(ncn2[C@@H]2O[C@@H](COP(=O)([O-])[O-])[C@H](O)[C@@H]2O)c(=O)[n-]1	ZINC000049792927	563203927	/nfs/dbraw/zinc/20/39/27/563203927.db2.gz	ULHLQZBLXBEFDP-FGVQXAILSA-N	-3	3	460.424	1.163	1	30		JDEFHL