smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[NH3+]CC(O)CC1NC(=O)C([NH3+])Cc2cc(ccc2O)-c2ccc(O)c(c2)C(O)C(C(=O)[O-])NC1=O	ZINC000014859745	560227332	/nfs/dbraw/zinc/22/73/32/560227332.db2.gz	WLDNIJQYEWSPFC-UTAYDHNUSA-N	1	2	488.497	-1.555	1	0	in-vitro	JAAFLO
CC(C)COC(=O)N[C@H](COC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@H]1CCCN(C(N)=[NH2+])[C@@H]1O	ZINC000028108314	563056402	/nfs/dbraw/zinc/05/64/02/563056402.db2.gz	UGNSZAJCHHEBFU-UUIJZJDISA-N	1	2	460.488	-1.271	1	0		JAAFLO
CC(C)COC(=O)N[C@H](COC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@H]1CCCN(C(N)=[NH2+])[C@H]1O	ZINC000028108320	563056397	/nfs/dbraw/zinc/05/63/97/563056397.db2.gz	UGNSZAJCHHEBFU-OHTBPHCPSA-N	1	2	460.488	-1.271	1	0		JAAFLO
NC(=O)[C@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1[nH]c(=O)[nH]c(=O)c1Br	ZINC000028767080	563078735	/nfs/dbraw/zinc/07/87/35/563078735.db2.gz	AQGWNDHHDZXVHJ-DTWKUNHWSA-N	1	2	468.268	-1.222	1	0		JAAFLO
[NH3+][C@H](C[NH2+]CC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)NCC(=O)[O-])Cc1ccc(O)cc1	ZINC000029393363	563102002	/nfs/dbraw/zinc/10/20/02/563102002.db2.gz	GEEURQDDKFYCIM-ICSRJNTNSA-N	1	2	485.541	-1.104	1	0		JAAFLO
C[C@H](NC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)c1cc(N)nc(CNC[C@H]([NH3+])C(N)=O)n1)C(=O)[O-]	ZINC000029402998	563102728	/nfs/dbraw/zinc/10/27/28/563102728.db2.gz	RYGIQKXZAJNLTH-INTQDDNPSA-N	1	2	462.471	-3.386	1	0		JAAFLO
C[C@H](NC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)c1cc(N)nc(CNC[C@H]([NH3+])C(N)=O)n1)C(=O)[O-]	ZINC000029402998	563102727	/nfs/dbraw/zinc/10/27/27/563102727.db2.gz	RYGIQKXZAJNLTH-INTQDDNPSA-N	1	2	462.471	-3.386	1	0		JAAFLO
C[C@H](NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cc(N)nc(CNC[C@H]([NH3+])C(N)=O)n1)C(=O)[O-]	ZINC000029403001	563102702	/nfs/dbraw/zinc/10/27/02/563102702.db2.gz	RYGIQKXZAJNLTH-LSJOCFKGSA-N	1	2	462.471	-3.386	1	0		JAAFLO
C[C@H](NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cc(N)nc(CNC[C@H]([NH3+])C(N)=O)n1)C(=O)[O-]	ZINC000029403001	563102700	/nfs/dbraw/zinc/10/27/00/563102700.db2.gz	RYGIQKXZAJNLTH-LSJOCFKGSA-N	1	2	462.471	-3.386	1	0		JAAFLO
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)([O-])OC[C@@H]([NH3+])Cc2c[nH+]c[nH]2)[C@@H](O)[C@H]1O	ZINC000029546899	563105989	/nfs/dbraw/zinc/10/59/89/563105989.db2.gz	SBCKMBGGZNSZKS-TXRSOIPOSA-N	1	2	470.383	-1.546	1	0		JAAFLO
Nc1ncnc2c1ncn2[C@@H]1O[C@H](C[N@@H+](CC[C@H]([NH3+])C(=O)[O-])Cc2ccccn2)[C@@H](O)[C@H]1O	ZINC000039470871	563136803	/nfs/dbraw/zinc/13/68/03/563136803.db2.gz	UVWICWFIQWDSOM-BPAMBQHCSA-N	1	2	458.479	-1.273	1	0		JAAFLO
Nc1ncnc2c1ncn2[C@@H]1O[C@H](C[N@H+](CC[C@H]([NH3+])C(=O)[O-])Cc2ccccn2)[C@@H](O)[C@H]1O	ZINC000039470871	563136802	/nfs/dbraw/zinc/13/68/02/563136802.db2.gz	UVWICWFIQWDSOM-BPAMBQHCSA-N	1	2	458.479	-1.273	1	0		JAAFLO