smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc([C@](C)([NH3+])C(=O)[O-])ccc1[P@@](=O)([O-])O	ZINC000027869371	348102151	/nfs/dbraw/zinc/10/21/51/348102151.db2.gz	LLEOLNUKLKCAFG-JTQLQIEISA-N	-1	2	259.198	0.057	40	0	in-vitro	CCABLM
Cc1cc([C@](C)([NH3+])C(=O)[O-])ccc1[P@](=O)([O-])O	ZINC000027869371	348102156	/nfs/dbraw/zinc/10/21/56/348102156.db2.gz	LLEOLNUKLKCAFG-JTQLQIEISA-N	-1	2	259.198	0.057	40	0	in-vitro	CCABLM
CCOC(=O)[C@@H](CCC(=O)[O-])NC(=O)C(F)(F)F	ZINC000033374276	348145515	/nfs/dbraw/zinc/14/55/15/348145515.db2.gz	FDYYYAZAOZPMTO-RXMQYKEDSA-N	-1	2	271.191	0.461	40	0		CCABLM
O=C([O-])[C@@H]1CC(=O)N(NC(=O)c2ccccc2[N+](=O)[O-])C1	ZINC000007881353	348009259	/nfs/dbraw/zinc/00/92/59/348009259.db2.gz	IXHSQQVVLGDQJU-SSDOTTSWSA-N	-1	2	293.235	0.173	40	0		CCABLM
O=C([O-])c1nn(-c2cccc(Cl)c2)c(=O)[nH]c1=O	ZINC000062710226	348669193	/nfs/dbraw/zinc/66/91/93/348669193.db2.gz	MOQDDAURGWEFBD-UHFFFAOYSA-N	-1	2	267.628	0.272	40	0		CCABLM
O=C([O-])[C@H]1CC(=O)N(NC(=O)c2ccccc2[N+](=O)[O-])C1	ZINC000007881354	348009574	/nfs/dbraw/zinc/00/95/74/348009574.db2.gz	IXHSQQVVLGDQJU-ZETCQYMHSA-N	-1	2	293.235	0.173	40	0		CCABLM
O=C([O-])c1n[nH]c2cc(-c3ccccc3)nn2c1=O	ZINC000100253670	304282750	/nfs/dbraw/zinc/28/27/50/304282750.db2.gz	ZEJLXQWPLCTAJY-UHFFFAOYSA-N	-1	2	256.221	0.783	40	0		CCABLM
CCS(=O)(=O)Nc1nc(CC(=O)[O-])cs1	ZINC000020136054	419407616	/nfs/dbraw/zinc/40/76/16/419407616.db2.gz	VHEWSZXGDWEPQC-UHFFFAOYSA-N	-1	2	250.301	0.532	40	0		CCABLM
[NH3+][C@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)C(=O)[O-]	ZINC000005273617	170081757	/nfs/dbraw/zinc/08/17/57/170081757.db2.gz	DCWXELXMIBXGTH-MRVPVSSYSA-N	-1	2	261.170	0.113	40	0	in-vitro	CCABLM
[NH3+][C@H](Cc1ccc(O[P@](=O)([O-])O)cc1)C(=O)[O-]	ZINC000005273617	170081758	/nfs/dbraw/zinc/08/17/58/170081758.db2.gz	DCWXELXMIBXGTH-MRVPVSSYSA-N	-1	2	261.170	0.113	40	0	in-vitro	CCABLM
CC(=O)NC(Cc1ccsc1)(C(=O)[O-])C(=O)O	ZINC000001701421	347960890	/nfs/dbraw/zinc/96/08/90/347960890.db2.gz	GMQAWKVCWPWFMI-UHFFFAOYSA-N	-1	2	257.267	0.335	40	0		CCABLM
O=C([O-])c1c(O)nc(-c2ccc(F)cc2)[nH]c1=O	ZINC000225007843	189743310	/nfs/dbraw/zinc/74/33/10/189743310.db2.gz	XCEAKCCYEBAOLO-UHFFFAOYSA-N	-1	2	250.185	0.980	40	0		CCABLM
O=C([O-])Cn1cc(NS(=O)(=O)c2ccc(F)cc2)cn1	ZINC000038030505	174022647	/nfs/dbraw/zinc/02/26/47/174022647.db2.gz	IVXJZZCHEGOQKP-UHFFFAOYSA-N	-1	2	299.283	0.908	40	0		CCABLM
Cc1ccc(-n2nc(C(=O)[O-])c(=O)[nH]c2=O)cc1C	ZINC000062710232	388938663	/nfs/dbraw/zinc/93/86/63/388938663.db2.gz	SVLRNCMJJMEVAH-UHFFFAOYSA-N	-1	2	261.237	0.236	40	0		CCABLM
O=C([O-])c1ccc(=O)n([C@@H](Cc2c[nH+]c[nH]2)C(=O)[O-])c1	ZINC000257285454	190026663	/nfs/dbraw/zinc/02/66/63/190026663.db2.gz	PHCZGWOWRAOOEY-VIFPVBQESA-N	-1	2	277.236	0.138	40	0		CCABLM
O=C([O-])c1ccc(=O)n([C@@H](Cc2c[nH]c[nH+]2)C(=O)[O-])c1	ZINC000257285454	190026664	/nfs/dbraw/zinc/02/66/64/190026664.db2.gz	PHCZGWOWRAOOEY-VIFPVBQESA-N	-1	2	277.236	0.138	40	0		CCABLM
CCOc1ccc(-n2nc(C(=O)[O-])c(=O)[nH]c2=O)cc1	ZINC000006265635	170186740	/nfs/dbraw/zinc/18/67/40/170186740.db2.gz	VOBWZDHNBMKBTD-UHFFFAOYSA-N	-1	2	277.236	0.018	40	0		CCABLM
CCS(=O)(=O)Nc1nc(C)c(C(=O)[O-])s1	ZINC000020136056	411623452	/nfs/dbraw/zinc/62/34/52/411623452.db2.gz	VNPCXYAEOWWFLA-UHFFFAOYSA-N	-1	2	250.301	0.911	40	0		CCABLM
Cc1nn(-c2ccc(S(=O)(=O)[O-])cc2)cc1O	ZINC000016607966	388789984	/nfs/dbraw/zinc/78/99/84/388789984.db2.gz	BOVARPCOWFMMTL-UHFFFAOYSA-N	-1	2	254.267	0.698	40	0		CCABLM
CC1=NN(c2ccc(S(=O)(=O)[O-])cc2)CC1=O	ZINC000016607966	388789988	/nfs/dbraw/zinc/78/99/88/388789988.db2.gz	BOVARPCOWFMMTL-UHFFFAOYSA-N	-1	2	254.267	0.698	40	0		CCABLM
O=C([O-])c1nn(-c2ccc(Cl)cc2)c(=O)[nH]c1=O	ZINC000034263720	304284376	/nfs/dbraw/zinc/28/43/76/304284376.db2.gz	CTOPGTPIDYBBFC-UHFFFAOYSA-N	-1	2	267.628	0.272	40	0		CCABLM
O=C([O-])c1ccccc1S(O)=CC(=O)N1CCOCC1	ZINC000037922796	388849333	/nfs/dbraw/zinc/84/93/33/388849333.db2.gz	DQOHODPVRHZPEP-FQEVSTJZSA-N	-1	2	297.332	0.351	40	0		CCABLM
CCc1nn2c(nc(C)c(CCC(=O)[O-])c2=O)[nH]1	ZINC000100126735	529747331	/nfs/dbraw/zinc/74/73/31/529747331.db2.gz	XGSKNLBNPVSYQP-UHFFFAOYSA-N	-1	2	250.258	0.306	40	0		CCABLM
O=C([O-])c1ccccc1S(O)=CC(=O)N1CCOCC1	ZINC000037922795	388848950	/nfs/dbraw/zinc/84/89/50/388848950.db2.gz	DQOHODPVRHZPEP-HXUWFJFHSA-N	-1	2	297.332	0.351	40	0		CCABLM
Cc1cc([C@@](C)([NH3+])C(=O)[O-])ccc1[P@@](=O)([O-])O	ZINC000027869364	348102459	/nfs/dbraw/zinc/10/24/59/348102459.db2.gz	LLEOLNUKLKCAFG-SNVBAGLBSA-N	-1	2	259.198	0.057	40	0	in-vitro	CCABLM
Cc1cc([C@@](C)([NH3+])C(=O)[O-])ccc1[P@](=O)([O-])O	ZINC000027869364	348102461	/nfs/dbraw/zinc/10/24/61/348102461.db2.gz	LLEOLNUKLKCAFG-SNVBAGLBSA-N	-1	2	259.198	0.057	40	0	in-vitro	CCABLM
O=C([O-])Cc1c(=O)[nH]c(-c2ccc(F)cc2)nc1O	ZINC000225007512	304088043	/nfs/dbraw/zinc/08/80/43/304088043.db2.gz	NZNHEORDMZSTEU-UHFFFAOYSA-N	-1	2	264.212	0.909	40	0		CCABLM