smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1[nH]c(C[NH2+][C@@H]2CCN(C(=O)c3cnc([O-])n(C)c3=O)C2)nc1=O	ZINC000969552673	668131403	/nfs/dbraw/zinc/13/14/03/668131403.db2.gz	KXNOXJLTWLOIAN-MRVPVSSYSA-N	-2	2	349.351	-2.088	20	0		EAADLL
O=C(Cn1[nH]cc2c(=O)ncnc1-2)NCCC[NH2+]Cc1n[nH]c(=O)[n-]1	ZINC001168641801	786139390	/nfs/dbraw/zinc/13/93/90/786139390.db2.gz	OBZMQTJKWBTKDJ-UHFFFAOYSA-N	-2	2	347.339	-1.809	20	0		EAADLL
COC(=O)c1cc(=O)[nH]c(OC(=O)[C@H](O)COP(=O)([O-])[O-])n1	ZINC001225729654	794494289	/nfs/dbraw/zinc/49/42/89/794494289.db2.gz	CBNNLWVVRRPVGB-RXMQYKEDSA-N	-2	2	338.165	-1.656	20	0		EAADLL
COC(=O)c1cc(=O)[nH]c(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])n1	ZINC001225730326	794494940	/nfs/dbraw/zinc/49/49/40/794494940.db2.gz	JPGGLDWRTVBMER-NVNXEXLPSA-N	-2	2	344.232	-1.589	20	0		EAADLL
COC(=O)c1cc(=O)[nH]c(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])n1	ZINC001225730332	794494755	/nfs/dbraw/zinc/49/47/55/794494755.db2.gz	JPGGLDWRTVBMER-RNHFCUEFSA-N	-2	2	344.232	-1.589	20	0		EAADLL
COC(=O)c1cc(=O)[nH]c(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])n1	ZINC001225730333	794494664	/nfs/dbraw/zinc/49/46/64/794494664.db2.gz	JPGGLDWRTVBMER-SPGJFGJESA-N	-2	2	344.232	-1.589	20	0		EAADLL
COC(=O)c1cc(=O)[nH]c(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])n1	ZINC001225730335	794494686	/nfs/dbraw/zinc/49/46/86/794494686.db2.gz	JPGGLDWRTVBMER-VHWMUFPASA-N	-2	2	344.232	-1.589	20	0		EAADLL
O=C(Oc1[nH]c(=O)nc2cnncc21)[C@H](O)COP(=O)([O-])[O-]	ZINC001226692385	794503397	/nfs/dbraw/zinc/50/33/97/794503397.db2.gz	OIWGXOWYLUKMAV-ZCFIWIBFSA-N	-2	2	332.165	-1.499	20	0		EAADLL
O=C([O-])C[C@H](C(=O)Oc1[nH]c(=O)nc2cnncc21)[C@H](O)C(=O)[O-]	ZINC001226692466	794503731	/nfs/dbraw/zinc/50/37/31/794503731.db2.gz	PBCLJHXBRGTGJL-NVNXEXLPSA-N	-2	2	338.232	-1.433	20	0		EAADLL
O=C([O-])C[C@H](C(=O)Oc1[nH]c(=O)nc2cnncc21)[C@@H](O)C(=O)[O-]	ZINC001226692469	794503531	/nfs/dbraw/zinc/50/35/31/794503531.db2.gz	PBCLJHXBRGTGJL-RNHFCUEFSA-N	-2	2	338.232	-1.433	20	0		EAADLL
O=C([O-])C[C@@H](C(=O)Oc1[nH]c(=O)nc2cnncc21)[C@@H](O)C(=O)[O-]	ZINC001226692471	794503853	/nfs/dbraw/zinc/50/38/53/794503853.db2.gz	PBCLJHXBRGTGJL-SPGJFGJESA-N	-2	2	338.232	-1.433	20	0		EAADLL
O=C([O-])C[C@@H](C(=O)Oc1[nH]c(=O)nc2cnncc21)[C@H](O)C(=O)[O-]	ZINC001226692472	794503507	/nfs/dbraw/zinc/50/35/07/794503507.db2.gz	PBCLJHXBRGTGJL-VHWMUFPASA-N	-2	2	338.232	-1.433	20	0		EAADLL
O=C(Oc1[nH]c(=O)nc2cnccc21)[C@H](O)COP(=O)([O-])[O-]	ZINC001226976276	794506685	/nfs/dbraw/zinc/50/66/85/794506685.db2.gz	JFWZYVCSHQSZGJ-SSDOTTSWSA-N	-2	2	331.177	-1.306	20	0		EAADLL
O=C([O-])C[C@@H](C(=O)Oc1[nH]c(=O)nc2nccnc21)[C@@H](O)C(=O)[O-]	ZINC001226988935	794506625	/nfs/dbraw/zinc/50/66/25/794506625.db2.gz	CECOJGASINIPDN-CLZZGJSISA-N	-2	2	338.232	-1.433	20	0		EAADLL
O=C([O-])C[C@@H](C(=O)Oc1[nH]c(=O)nc2nccnc21)[C@H](O)C(=O)[O-]	ZINC001226988936	794506739	/nfs/dbraw/zinc/50/67/39/794506739.db2.gz	CECOJGASINIPDN-FBCQKBJTSA-N	-2	2	338.232	-1.433	20	0		EAADLL
O=C([O-])C[C@H](C(=O)Oc1[nH]c(=O)nc2nccnc21)[C@H](O)C(=O)[O-]	ZINC001226988937	794507430	/nfs/dbraw/zinc/50/74/30/794507430.db2.gz	CECOJGASINIPDN-FFWSUHOLSA-N	-2	2	338.232	-1.433	20	0		EAADLL
O=C([O-])C[C@H](C(=O)Oc1[nH]c(=O)nc2nccnc21)[C@@H](O)C(=O)[O-]	ZINC001226988938	794506323	/nfs/dbraw/zinc/50/63/23/794506323.db2.gz	CECOJGASINIPDN-MHTLYPKNSA-N	-2	2	338.232	-1.433	20	0		EAADLL
O=C([O-])C[C@@H](C(=O)Oc1[nH]c(=O)nc2nc[nH]c21)[C@@H](O)C(=O)[O-]	ZINC001227072753	794508755	/nfs/dbraw/zinc/50/87/55/794508755.db2.gz	IMFIGRSMPDCFJC-AWFVSMACSA-N	-2	2	326.221	-1.500	20	0		EAADLL
O=C([O-])C[C@H](C(=O)Oc1[nH]c(=O)nc2nc[nH]c21)[C@@H](O)C(=O)[O-]	ZINC001227072755	794508827	/nfs/dbraw/zinc/50/88/27/794508827.db2.gz	IMFIGRSMPDCFJC-BBIVZNJYSA-N	-2	2	326.221	-1.500	20	0		EAADLL
O=C([O-])C[C@@H](C(=O)Oc1[nH]c(=O)nc2nc[nH]c21)[C@H](O)C(=O)[O-]	ZINC001227072757	794508338	/nfs/dbraw/zinc/50/83/38/794508338.db2.gz	IMFIGRSMPDCFJC-CVYQJGLWSA-N	-2	2	326.221	-1.500	20	0		EAADLL
O=C([O-])C[C@H](C(=O)Oc1[nH]c(=O)nc2nc[nH]c21)[C@H](O)C(=O)[O-]	ZINC001227072758	794508670	/nfs/dbraw/zinc/50/86/70/794508670.db2.gz	IMFIGRSMPDCFJC-DZSWIPIPSA-N	-2	2	326.221	-1.500	20	0		EAADLL
O=C([O-])C[C@@H](C(=O)Oc1nc2c([nH]1)[nH]c(=O)[nH]c2=O)[C@@H](O)C(=O)[O-]	ZINC001227433096	794511340	/nfs/dbraw/zinc/51/13/40/794511340.db2.gz	YRUXKXWRTPMIBD-DUZGATOHSA-N	-2	2	342.220	-1.794	20	0		EAADLL
O=C([O-])C[C@H](C(=O)Oc1nc2c([nH]1)[nH]c(=O)[nH]c2=O)[C@@H](O)C(=O)[O-]	ZINC001227433103	794512043	/nfs/dbraw/zinc/51/20/43/794512043.db2.gz	YRUXKXWRTPMIBD-JLAZNSOCSA-N	-2	2	342.220	-1.794	20	0		EAADLL
O=C([O-])C[C@@H](C(=O)Oc1nc2c([nH]1)[nH]c(=O)[nH]c2=O)[C@H](O)C(=O)[O-]	ZINC001227433104	794511518	/nfs/dbraw/zinc/51/15/18/794511518.db2.gz	YRUXKXWRTPMIBD-MVHIGOERSA-N	-2	2	342.220	-1.794	20	0		EAADLL
O=C([O-])C[C@H](C(=O)Oc1nc2c([nH]1)[nH]c(=O)[nH]c2=O)[C@H](O)C(=O)[O-]	ZINC001227433105	794512175	/nfs/dbraw/zinc/51/21/75/794512175.db2.gz	YRUXKXWRTPMIBD-VHUNDSFISA-N	-2	2	342.220	-1.794	20	0		EAADLL
Cn1cnc2nc(=O)[nH]c(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c21	ZINC001228674032	794531616	/nfs/dbraw/zinc/53/16/16/794531616.db2.gz	KPITYCRXDDFOBJ-CLZZGJSISA-N	-2	2	340.248	-1.489	20	0		EAADLL
Cn1cnc2nc(=O)[nH]c(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c21	ZINC001228674055	794531257	/nfs/dbraw/zinc/53/12/57/794531257.db2.gz	KPITYCRXDDFOBJ-FBCQKBJTSA-N	-2	2	340.248	-1.489	20	0		EAADLL
Cn1cnc2nc(=O)[nH]c(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c21	ZINC001228674058	794531190	/nfs/dbraw/zinc/53/11/90/794531190.db2.gz	KPITYCRXDDFOBJ-FFWSUHOLSA-N	-2	2	340.248	-1.489	20	0		EAADLL
Cn1cnc2nc(=O)[nH]c(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c21	ZINC001228674060	794531932	/nfs/dbraw/zinc/53/19/32/794531932.db2.gz	KPITYCRXDDFOBJ-MHTLYPKNSA-N	-2	2	340.248	-1.489	20	0		EAADLL
Cn1cnc2nc(=O)[nH]c(OC(=O)[C@H](O)COP(=O)([O-])[O-])c21	ZINC001228675814	794531291	/nfs/dbraw/zinc/53/12/91/794531291.db2.gz	YHSTYMGFOWKNST-SCSAIBSYSA-N	-2	2	334.181	-1.556	20	0		EAADLL