smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOC(=O)CCNC(=O)[C@@H](Cc1ccc(-c2ccccc2)cc1)NCP(=O)([O-])[O-]	ZINC000013734529	563002182	/nfs/dbraw/zinc/00/21/82/563002182.db2.gz	WVIZSLNWTBWTFE-LJQANCHMSA-N	-2	3	434.429	2.059	1	0		IEAFHL
CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)N[C@@H](CC(C)C)P(=O)([O-])[O-]	ZINC000013733551	563002160	/nfs/dbraw/zinc/00/21/60/563002160.db2.gz	WSAIKZWHQAFUEX-GBESFXJTSA-N	-2	3	441.509	2.014	1	0		IEAFHL
C[C@H](N[C@@H](CCc1ccccc1)P(=O)([O-])[O-])C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21	ZINC000096938624	563199773	/nfs/dbraw/zinc/19/97/73/563199773.db2.gz	WGYVKXQHRQXHDV-XFUTXVRSSA-N	-3	3	438.461	2.345	1	0		IEAFHL
CCOC(=O)CCNC(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)NCP(=O)([O-])[O-]	ZINC000013734532	563002125	/nfs/dbraw/zinc/00/21/25/563002125.db2.gz	WVIZSLNWTBWTFE-IBGZPJMESA-N	-2	3	434.429	2.059	1	0		IEAFHL
Nc1nc(N)c(CCCCc2ccc(C(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])cc2)c(=O)[n-]1	ZINC000040802368	563106943	/nfs/dbraw/zinc/10/69/43/563106943.db2.gz	SUZPRZQWFNIVPU-IBGZPJMESA-N	-2	3	449.511	2.338	1	0		IEAFHL
CC/C(=C(/CC)c1ccc(O[C@H]2O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]2O)cc1)c1ccc([O-])cc1	ZINC000033753595	563084712	/nfs/dbraw/zinc/08/47/12/563084712.db2.gz	LJMPVHCKUXKZAV-VZVLDYGMSA-N	-2	3	444.480	2.394	1	0		IEAFHL
CC(C)[C@@H](NS(=O)(=O)c1ccc2oc3cc([N-]S(C)(=O)=O)ccc3c2c1)C(=O)[O-]	ZINC000040913389	563111085	/nfs/dbraw/zinc/11/10/85/563111085.db2.gz	MFYWCBCSORYQGC-QGZVFWFLSA-N	-2	3	440.499	2.345	1	0		IEAFHL
O=C(Nc1ccc(-c2cncc(NC(P(=O)([O-])[O-])P(=O)([O-])[O-])c2)cc1)C1CC1	ZINC000084739121	563178916	/nfs/dbraw/zinc/17/89/16/563178916.db2.gz	VDTFOUMZKMJVQU-UHFFFAOYSA-N	-4	3	427.290	2.148	1	0		IEAFHL
Nc1ccc(C(=O)NC(=Cc2ccc3c(c2)OCO3)c2nc3c([n-]2)[n-]c(=S)[nH]c3=O)cc1	ZINC000005545766	562944251	/nfs/dbraw/zinc/94/42/51/562944251.db2.gz	GUUQPBLJSNNXBS-QPEQYQDCSA-N	-2	3	448.464	2.174	1	0		IEAFHL
O=C([O-])[C@@H]1CCCN1CC(=O)c1ccc2[nH]c3c4c(c5c(c3c2c1)C(=O)[N-]C5=O)CCC4	ZINC000073277535	563171772	/nfs/dbraw/zinc/17/17/72/563171772.db2.gz	OZAZBQXCYMGZDD-INIZCTEOSA-N	-2	3	431.448	2.425	1	0		IEAFHL
C[N@H+](CCCSc1ccc(Cl)cc1)CCC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-]	ZINC000026748203	563036445	/nfs/dbraw/zinc/03/64/45/563036445.db2.gz	BHOLRSHAOLPRGS-UHFFFAOYSA-N	-3	3	433.787	2.146	1	0		IEAFHL
C[N@@H+](CCCSc1ccc(Cl)cc1)CCC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-]	ZINC000026748203	563036446	/nfs/dbraw/zinc/03/64/46/563036446.db2.gz	BHOLRSHAOLPRGS-UHFFFAOYSA-N	-3	3	433.787	2.146	1	0		IEAFHL
CC(C)C[C@H](C[P@](=O)([O-])CNC(=O)OCc1ccccc1)[C@@H](O)N[C@@H](C)C(=O)[O-]	ZINC000027879561	563047779	/nfs/dbraw/zinc/04/77/79/563047779.db2.gz	CGITWACPUYXSBM-USXIJHARSA-N	-2	3	430.438	2.184	1	0		IEAFHL
CC(C)C[C@H](C[P@](=O)([O-])CNC(=O)OCc1ccccc1)[C@H](O)N[C@@H](C)C(=O)[O-]	ZINC000040519765	563104405	/nfs/dbraw/zinc/10/44/05/563104405.db2.gz	CGITWACPUYXSBM-UAGQMJEPSA-N	-2	3	430.438	2.184	1	0		IEAFHL
COc1cc2c([O-])c(Cc3c([O-])c4cc(OC)c(O)cc4oc3=O)c(=O)oc2cc1[O-]	ZINC000049050982	563136854	/nfs/dbraw/zinc/13/68/54/563136854.db2.gz	QHDIKYSTRCDTAY-UHFFFAOYSA-N	-3	3	428.349	2.330	1	0		IEAFHL
COc1cc2c([O-])c(Cc3c([O-])c4cc(OC)c([O-])cc4oc3=O)c(=O)oc2cc1[O-]	ZINC000049050982	563136856	/nfs/dbraw/zinc/13/68/56/563136856.db2.gz	QHDIKYSTRCDTAY-UHFFFAOYSA-N	-4	3	428.349	2.330	1	0		IEAFHL
C[C@H](N[C@H](CCc1ccccc1)P(=O)([O-])[O-])C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21	ZINC000096938625	563199833	/nfs/dbraw/zinc/19/98/33/563199833.db2.gz	WGYVKXQHRQXHDV-GBBGEASQSA-N	-3	3	438.461	2.345	1	0		IEAFHL
COc1cc(-c2cc(=O)c3c([O-])cc([O-])cc3o2)cc(OC)c1OC(=O)NCC(=O)[O-]	ZINC000066113800	563159170	/nfs/dbraw/zinc/15/91/70/563159170.db2.gz	ACLUEKMKWVGRLB-UHFFFAOYSA-N	-3	3	431.353	2.061	1	0		IEAFHL
O=c1cc(-c2ccc(OCCOCCOCCOCCO)cc2)oc2cc([O-])cc([O-])c12	ZINC000040575960	563105314	/nfs/dbraw/zinc/10/53/14/563105314.db2.gz	ABXBXUMWMCFDDG-UHFFFAOYSA-N	-2	3	446.452	2.292	1	0		IEAFHL
COc1ccc(CC[N-]C(=S)OCCNC(=O)c2ccccc2C(=O)[O-])cc1OC	ZINC000040939139	563113256	/nfs/dbraw/zinc/11/32/56/563113256.db2.gz	FPGXJXZXCFMOHC-UHFFFAOYSA-N	-2	3	432.498	2.266	1	0		IEAFHL
CCCCc1nn(CC(=O)[O-])c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1	ZINC000001552279	562922952	/nfs/dbraw/zinc/92/29/52/562922952.db2.gz	RGLJSZWMSYPTER-UHFFFAOYSA-N	-2	3	433.472	2.367	1	0		IEAFHL
CCCCc1nn(CC(=O)[O-])c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1	ZINC000001552279	562922953	/nfs/dbraw/zinc/92/29/53/562922953.db2.gz	RGLJSZWMSYPTER-UHFFFAOYSA-N	-2	3	433.472	2.367	1	0		IEAFHL
CC(C)[C@H](NCP(=O)([O-])[O-])C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)[O-]	ZINC000001540174	562922656	/nfs/dbraw/zinc/92/26/56/562922656.db2.gz	NVOGZCACYSGYEQ-OALUTQOASA-N	-3	3	434.429	2.215	1	0		IEAFHL
O=C([O-])C[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)NCCc1ccccc1	ZINC000029318521	563077708	/nfs/dbraw/zinc/07/77/08/563077708.db2.gz	JYLDQRQMPPFVFN-INIZCTEOSA-N	-2	3	445.324	2.474	1	0		IEAFHL
Nc1nc(NCc2ccccc2)nc2c1[nH]c(=O)n2Cc1cccc(CP(=O)([O-])[O-])c1	ZINC000040939867	563113420	/nfs/dbraw/zinc/11/34/20/563113420.db2.gz	FCMPRTNWZDHSNH-UHFFFAOYSA-N	-2	3	440.400	2.452	1	0		IEAFHL
O=P([O-])([O-])C(O)(C[n+]1cccc(-c2cccc(-c3ccccc3)c2)c1)P(=O)([O-])[O-]	ZINC000013643037	562998555	/nfs/dbraw/zinc/99/85/55/562998555.db2.gz	SFGYQDTXSJEVCC-UHFFFAOYSA-O	-3	3	436.317	2.310	1	0	in-vitro	IEAFHL
N=c1oc2cc([O-])ccc2cc1C(=O)NCCCNC(=O)c1cc2ccc([O-])cc2oc1=N	ZINC000049124605	563138837	/nfs/dbraw/zinc/13/88/37/563138837.db2.gz	VLAVPACPOLPQDN-UHFFFAOYSA-N	-2	3	448.435	2.099	1	0		IEAFHL