smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CS(=O)(=O)[N-]c1cc(Br)ccc1-c1ccc(C(=O)[O-])o1	ZINC000226353455	206121225	/nfs/dbraw/zinc/12/12/25/206121225.db2.gz	UULJSMOVPHOTED-UHFFFAOYSA-N	-2	1	360.185	2.779	40	0		FFABML
O=C([O-])[C@@H](Cc1ccccc1)N[C@H](c1ccc(Cl)cc1)[P@@](=O)([O-])O	ZINC000001590391	204013460	/nfs/dbraw/zinc/01/34/60/204013460.db2.gz	UFDUGJQZMFXKIC-CABCVRRESA-N	-2	1	369.741	2.802	40	0		FFABML
CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)cc1	ZINC000013348815	206301728	/nfs/dbraw/zinc/30/17/28/206301728.db2.gz	AJDLCAHQRJIAAJ-UHFFFAOYSA-N	-2	1	363.391	2.671	40	0		FFABML
COC[C@@H](C)Nc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1	ZINC000217506391	206364686	/nfs/dbraw/zinc/36/46/86/206364686.db2.gz	XOOBJQIGQFPGGB-GFCCVEGCSA-N	-2	1	364.423	2.632	40	0		FFABML
COC[C@H](C)Nc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1	ZINC000217506466	206363705	/nfs/dbraw/zinc/36/37/05/206363705.db2.gz	XOOBJQIGQFPGGB-LBPRGKRZSA-N	-2	1	364.423	2.632	40	0		FFABML
CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)cc1	ZINC000047318072	507307981	/nfs/dbraw/zinc/30/79/81/507307981.db2.gz	DBIMUEDKUXPDBW-UHFFFAOYSA-N	-2	1	368.798	2.797	40	0		FFABML
Cc1c(N[C@@H](c2ccccc2)P(=O)([O-])[O-])c(=O)n(-c2ccccc2)n1C	ZINC000005881531	506459844	/nfs/dbraw/zinc/45/98/44/506459844.db2.gz	FNFVLNITGNOXIX-QGZVFWFLSA-N	-2	1	373.349	2.773	40	0		FFABML
COCCCNc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1	ZINC000217504465	523378606	/nfs/dbraw/zinc/37/86/06/523378606.db2.gz	WSJUDFKZOLAOKF-UHFFFAOYSA-N	-2	1	364.423	2.634	40	0		FFABML
O=C([O-])[C@H](Cc1ccccc1)N[C@H](c1ccc(Cl)cc1)[P@@](=O)([O-])O	ZINC000001590390	210359514	/nfs/dbraw/zinc/35/95/14/210359514.db2.gz	UFDUGJQZMFXKIC-GJZGRUSLSA-N	-2	1	369.741	2.802	40	0		FFABML
Cc1cc(=O)[n-]c(SCC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)n1	ZINC000408541114	513086116	/nfs/dbraw/zinc/08/61/16/513086116.db2.gz	BOGSXHYARLNTKF-UHFFFAOYSA-N	-2	1	353.787	2.573	40	0		FFABML
CCOC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)cc1	ZINC000013027522	220055254	/nfs/dbraw/zinc/05/52/54/220055254.db2.gz	DYDODJVQFPIKQE-UHFFFAOYSA-N	-2	1	363.391	2.671	40	0		FFABML
Cc1cc(/C=C2\C(=O)[N-]C(=S)NC2=O)c(C)n1-c1ccccc1C(=O)[O-]	ZINC000033859745	506363369	/nfs/dbraw/zinc/36/33/69/506363369.db2.gz	KAVJQMMELAVWBH-UHFFFAOYSA-N	-2	1	369.402	2.547	40	0		FFABML
Cc1cc(/C=C2/C(=O)[N-]C(=S)NC2=O)c(C)n1-c1ccccc1C(=O)[O-]	ZINC000033859745	506363372	/nfs/dbraw/zinc/36/33/72/506363372.db2.gz	KAVJQMMELAVWBH-UHFFFAOYSA-N	-2	1	369.402	2.547	40	0		FFABML
Cc1cc(C=C2C(=O)[N-]C(=S)NC2=O)c(C)n1-c1ccccc1C(=O)[O-]	ZINC000033859745	506363376	/nfs/dbraw/zinc/36/33/76/506363376.db2.gz	KAVJQMMELAVWBH-UHFFFAOYSA-N	-2	1	369.402	2.547	40	0		FFABML
CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)[O-])cc1	ZINC000013263429	205094116	/nfs/dbraw/zinc/09/41/16/205094116.db2.gz	ZAMXUVBHHODDFY-UHFFFAOYSA-N	-2	1	368.798	2.797	40	0		FFABML
O=C([O-])c1cccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c1	ZINC000016101430	507074161	/nfs/dbraw/zinc/07/41/61/507074161.db2.gz	VUFDAIKMBDCORZ-UHFFFAOYSA-N	-2	1	355.755	2.537	40	0		FFABML
O=C([O-])c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cc1	ZINC000013340341	205093985	/nfs/dbraw/zinc/09/39/85/205093985.db2.gz	IBLHTYLYWZTSLD-UHFFFAOYSA-N	-2	1	355.755	2.537	40	0		FFABML
O=C([O-])[C@H](Cc1ccccc1)N[C@@H](c1ccc(Cl)cc1)[P@@](=O)([O-])O	ZINC000001590388	204013116	/nfs/dbraw/zinc/01/31/16/204013116.db2.gz	UFDUGJQZMFXKIC-LSDHHAIUSA-N	-2	1	369.741	2.802	40	0		FFABML
Cc1ccc(/C=C\C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(c1)OCO2	ZINC000006199590	506470886	/nfs/dbraw/zinc/47/08/86/506470886.db2.gz	NUWGJRVRNFNVFT-DAXSKMNVSA-N	-2	1	361.375	2.622	40	0		FFABML
CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cc1	ZINC000013362371	506939280	/nfs/dbraw/zinc/93/92/80/506939280.db2.gz	MCTLORZLIAXVMZ-UHFFFAOYSA-N	-2	1	367.354	2.501	40	0		FFABML
CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)cc1	ZINC000226353989	509398696	/nfs/dbraw/zinc/39/86/96/509398696.db2.gz	GGVLXOHKQNZSDZ-UHFFFAOYSA-N	-2	1	368.798	2.797	40	0		FFABML
Cc1c(N[C@H](c2ccccc2)P(=O)([O-])[O-])c(=O)n(-c2ccccc2)n1C	ZINC000005881532	207120861	/nfs/dbraw/zinc/12/08/61/207120861.db2.gz	FNFVLNITGNOXIX-KRWDZBQOSA-N	-2	1	373.349	2.773	40	0		FFABML
O=C([O-])[C@@H](Cc1ccccc1)[P@@](=O)([O-])[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000014920993	507004324	/nfs/dbraw/zinc/00/43/24/507004324.db2.gz	FQQUYFMJEIMMON-IYBDPMFKSA-N	-3	1	362.318	2.649	40	0		FFABML
CCCCc1nc(Cc2ccccc2C(=O)[O-])c(C=C(C(=O)[O-])C(=O)[O-])[nH]1	ZINC000299803662	511686995	/nfs/dbraw/zinc/68/69/95/511686995.db2.gz	MIOCPWPXNROGAJ-UHFFFAOYSA-N	-3	1	372.377	2.594	40	0		FFABML
COc1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cc1OC	ZINC000005134916	506423772	/nfs/dbraw/zinc/42/37/72/506423772.db2.gz	OYBCENXDPBSTOT-UHFFFAOYSA-N	-2	1	365.407	2.522	40	0		FFABML
O=C([O-])c1ccc(NC(=O)c2ccc(C=C3SC(=O)[N-]C3=O)cc2)cc1	ZINC000062825002	210085517	/nfs/dbraw/zinc/08/55/17/210085517.db2.gz	SWSNMDDYXJWEKF-NTEUORMPSA-N	-2	1	368.370	2.961	40	0		FFABML
O=C([O-])[C@@H](Cc1ccccc1)N[C@@H](c1ccc(Cl)cc1)[P@@](=O)([O-])O	ZINC000001590389	506266354	/nfs/dbraw/zinc/26/63/54/506266354.db2.gz	UFDUGJQZMFXKIC-HUUCEWRRSA-N	-2	1	369.741	2.802	40	0		FFABML