smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(CC(=O)Nc1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1)C(N)=[NH2+]	ZINC000013800591	563007692	/nfs/dbraw/zinc/00/76/92/563007692.db2.gz	DACGDZLVWJQELB-UHFFFAOYSA-N	1	2	448.512	-1.250	1	0		IAAFLO
NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=O)CNC(=O)C[NH3+])cc2)s1	ZINC000013800654	563007699	/nfs/dbraw/zinc/00/76/99/563007699.db2.gz	HWIVJEDAPLKYBT-UHFFFAOYSA-N	1	2	449.496	-2.000	1	0		IAAFLO
NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1CC(=O)N(CCO)C(=O)N1	ZINC000026184426	563029744	/nfs/dbraw/zinc/02/97/44/563029744.db2.gz	QFXWGINSCZORIE-AVGNSLFASA-N	1	2	435.441	-2.784	1	0		IAAFLO
NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1CC(=O)N(CCO)C(=O)N1	ZINC000026184426	563029742	/nfs/dbraw/zinc/02/97/42/563029742.db2.gz	QFXWGINSCZORIE-AVGNSLFASA-N	1	2	435.441	-2.784	1	0		IAAFLO
CCCN1C(=O)C[C@@H](C(=O)N[C@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@@H]2C(N)=O)NC1=O	ZINC000026253389	563030077	/nfs/dbraw/zinc/03/00/77/563030077.db2.gz	PMFZEXFSORBYMD-BFHYXJOUSA-N	1	2	433.469	-1.366	1	0		IAAFLO
CCCN1C(=O)C[C@@H](C(=O)N[C@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@@H]2C(N)=O)NC1=O	ZINC000026253389	563030075	/nfs/dbraw/zinc/03/00/75/563030075.db2.gz	PMFZEXFSORBYMD-BFHYXJOUSA-N	1	2	433.469	-1.366	1	0		IAAFLO
CC(C)N1C(=O)C[C@@H](C(=O)N[C@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@@H]2C(N)=O)NC1=O	ZINC000026260777	563030266	/nfs/dbraw/zinc/03/02/66/563030266.db2.gz	YXVMKWIPGWYTDG-BFHYXJOUSA-N	1	2	433.469	-1.368	1	0		IAAFLO
CC(C)N1C(=O)C[C@@H](C(=O)N[C@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@@H]2C(N)=O)NC1=O	ZINC000026260777	563030265	/nfs/dbraw/zinc/03/02/65/563030265.db2.gz	YXVMKWIPGWYTDG-BFHYXJOUSA-N	1	2	433.469	-1.368	1	0		IAAFLO
CN(C)C(=O)[C@H]1CCCN1C(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1CC(=O)N(C)C(=O)N1	ZINC000026262569	563030262	/nfs/dbraw/zinc/03/02/62/563030262.db2.gz	UCYOEQDWYUGWGB-BFHYXJOUSA-N	1	2	433.469	-1.544	1	0		IAAFLO
CN(C)C(=O)[C@H]1CCCN1C(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1CC(=O)N(C)C(=O)N1	ZINC000026262569	563030261	/nfs/dbraw/zinc/03/02/61/563030261.db2.gz	UCYOEQDWYUGWGB-BFHYXJOUSA-N	1	2	433.469	-1.544	1	0		IAAFLO
NC(=O)[C@H]1CCCN1C(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1CC(=O)N(CCF)C(=O)N1	ZINC000026265658	563030333	/nfs/dbraw/zinc/03/03/33/563030333.db2.gz	MPDBLYBOXMCSGP-YNEHKIRRSA-N	1	2	437.432	-1.807	1	0		IAAFLO
NC(=O)[C@H]1CCCN1C(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1CC(=O)N(CCF)C(=O)N1	ZINC000026265658	563030332	/nfs/dbraw/zinc/03/03/32/563030332.db2.gz	MPDBLYBOXMCSGP-YNEHKIRRSA-N	1	2	437.432	-1.807	1	0		IAAFLO
Cc1nn2c(nc3c(c2=O)n(CC[NH+]2CCCCC2)c(=O)n3[C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)[nH]1	ZINC000027108066	563040007	/nfs/dbraw/zinc/04/00/07/563040007.db2.gz	NGCQSQQEUZZMMT-ZCTGUTNYSA-N	1	2	449.468	-1.648	1	0		IAAFLO
Cc1nn2c(nc3c(c2=O)n(CC[NH+]2CCCCC2)c(=O)n3[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)[nH]1	ZINC000027108069	563039972	/nfs/dbraw/zinc/03/99/72/563039972.db2.gz	NGCQSQQEUZZMMT-VYHVBIQSSA-N	1	2	449.468	-1.648	1	0		IAAFLO
Cc1nn2c(nc3c(c2=O)n(CC[NH+]2CCCCC2)c(=O)n3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)[nH]1	ZINC000027108073	563039983	/nfs/dbraw/zinc/03/99/83/563039983.db2.gz	NGCQSQQEUZZMMT-LSCFUAHRSA-N	1	2	449.468	-1.648	1	0		IAAFLO
Cc1nn2c(nc3c(c2=O)n(CC[NH+]2CCCCC2)c(=O)n3[C@H]2O[C@H](CO)[C@@H](O)[C@H]2O)[nH]1	ZINC000027108076	563040030	/nfs/dbraw/zinc/04/00/30/563040030.db2.gz	NGCQSQQEUZZMMT-GDLHICMESA-N	1	2	449.468	-1.648	1	0		IAAFLO
CCCc1c(=O)[nH]c(=O)[nH]c1C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@H]1C(N)=O	ZINC000028769872	563064338	/nfs/dbraw/zinc/06/43/38/563064338.db2.gz	IBTVPCILLPNESF-QWHCGFSZSA-N	1	2	431.453	-1.444	1	0		IAAFLO
CCCc1c(=O)[nH]c(=O)[nH]c1C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@H]1C(N)=O	ZINC000028769872	563064336	/nfs/dbraw/zinc/06/43/36/563064336.db2.gz	IBTVPCILLPNESF-QWHCGFSZSA-N	1	2	431.453	-1.444	1	0		IAAFLO
NC(=O)C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)[O-]	ZINC000045484712	563134237	/nfs/dbraw/zinc/13/42/37/563134237.db2.gz	LDSFSKFATNBTBV-GUBZILKMSA-N	1	2	440.417	-4.799	1	0		IAAFLO
NC(=O)C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)[O-]	ZINC000045484712	563134236	/nfs/dbraw/zinc/13/42/36/563134236.db2.gz	LDSFSKFATNBTBV-GUBZILKMSA-N	1	2	440.417	-4.799	1	0		IAAFLO
NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]1CC(=O)N(CCO)C(=O)N1	ZINC000095680245	563194343	/nfs/dbraw/zinc/19/43/43/563194343.db2.gz	QFXWGINSCZORIE-AGIUHOORSA-N	1	2	435.441	-2.784	1	0		IAAFLO
NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1CC(=O)N(CCO)C(=O)N1	ZINC000095680245	563194342	/nfs/dbraw/zinc/19/43/42/563194342.db2.gz	QFXWGINSCZORIE-AGIUHOORSA-N	1	2	435.441	-2.784	1	0		IAAFLO
C[NH+]1CCN(S(=O)(=O)NC[C@H]2O[C@@H](n3cnc4c3ncnc4N)[C@H](O)[C@@H]2O)CC1	ZINC000061945127	563151127	/nfs/dbraw/zinc/15/11/27/563151127.db2.gz	VSSPHRJTFIFYIZ-SDBHATRESA-N	1	2	428.475	-2.891	3	0		IAAFLO
O=C(CC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O)N1CCN(c2cccc[nH+]2)CC1	ZINC000095568860	563183922	/nfs/dbraw/zinc/18/39/22/563183922.db2.gz	YZJZWEAPSDPJQT-BYNBJNPRSA-N	1	2	431.449	-1.320	3	0		IAAFLO