smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])CC[NH2+]Cc1ccccc1[O-]	36892021	572074244	/nfs/dbraw/zinc/07/42/44/572074244.db2.gz	ATWYAYYXLCVCME-UHFFFAOYSA-N	-1	3	195.218	0.957	20	10		ACCDHM
CCO[N-]C(=O)Cc1ccc(N)cc1	83116739	572194040	/nfs/dbraw/zinc/19/40/40/572194040.db2.gz	ZIUZINKQWIIHKL-UHFFFAOYSA-N	-1	3	194.234	0.879	20	10		ACCDHM
NC(=O)c1cc([O-])cs1	113237794	574047331	/nfs/dbraw/zinc/04/73/31/574047331.db2.gz	PLYOQVWDJSDLOV-UHFFFAOYSA-N	-1	3	143.167	0.553	20	10		ACCDHM
CONC(=O)c1ccc(C)c(O)c1[O-]	751533757	582763922	/nfs/dbraw/zinc/76/39/22/582763922.db2.gz	QPSNZYXRPCMPGF-UHFFFAOYSA-N	-1	3	197.190	0.697	20	10		ACCDHM
CN(CC(N)=O)Cc1ccccc1[O-]	113750530	583253140	/nfs/dbraw/zinc/25/31/40/583253140.db2.gz	XVMNSGMSTIUERD-UHFFFAOYSA-N	-1	3	194.234	0.309	20	10		ACCDHM
CC1(O)CN(Cc2ccccc2[O-])C1	877580478	583396451	/nfs/dbraw/zinc/39/64/51/583396451.db2.gz	DNUFMOYFDXDUJW-UHFFFAOYSA-N	-1	3	193.246	0.959	20	10		ACCDHM
O=C(NC1CC1)c1cccc(O)c1[O-]	163266970	697668902	/nfs/dbraw/zinc/66/89/02/697668902.db2.gz	PPTZKXRVKKPPJS-UHFFFAOYSA-N	-1	3	193.202	0.990	20	10		ACCDHM
C[N@H+](CC(=O)[O-])Cc1ccccc1[O-]	59947927	597003024	/nfs/dbraw/zinc/00/30/24/597003024.db2.gz	FQXQINFYEKNMQS-UHFFFAOYSA-N	-1	3	195.218	0.909	20	10		ACCDHM
C[N@@H+](CC(=O)[O-])Cc1ccccc1[O-]	59947927	597003027	/nfs/dbraw/zinc/00/30/27/597003027.db2.gz	FQXQINFYEKNMQS-UHFFFAOYSA-N	-1	3	195.218	0.909	20	10		ACCDHM
CN(C)C(=O)c1cccc(O)c1[O-]	39238502	343207545	/nfs/dbraw/zinc/20/75/45/343207545.db2.gz	WJTJFWHHNYHKMI-UHFFFAOYSA-N	-1	3	181.191	0.800	20	10		ACCDHM
C[C@@H]([NH2+]Cc1ccccc1[O-])C(=O)[O-]	19037	168384225	/nfs/dbraw/zinc/38/42/25/168384225.db2.gz	OGCTZOZVPQSYDN-SSDOTTSWSA-N	-1	3	195.218	0.955	20	10		ACCDHM
O=C([O-])C[NH2+]Cc1ccccc1[O-]	19040	169341365	/nfs/dbraw/zinc/34/13/65/169341365.db2.gz	FZQZIWPHRQKFPS-UHFFFAOYSA-N	-1	3	181.191	0.566	20	10		ACCDHM
C[C@H]([NH2+]Cc1ccccc1[O-])C(=O)[O-]	80954	342926073	/nfs/dbraw/zinc/92/60/73/342926073.db2.gz	OGCTZOZVPQSYDN-ZETCQYMHSA-N	-1	3	195.218	0.955	20	10		ACCDHM
O=C1[N-]C(=O)[C@H](c2ccccc2O)N1	6095458	343012688	/nfs/dbraw/zinc/01/26/88/343012688.db2.gz	GKVUJUZMDDAMHS-ZETCQYMHSA-N	-1	3	192.174	0.273	20	10		ACCDHM
O=C1[N-]C(=O)[C@@H](c2ccccc2O)N1	6095431	343012761	/nfs/dbraw/zinc/01/27/61/343012761.db2.gz	GKVUJUZMDDAMHS-SSDOTTSWSA-N	-1	3	192.174	0.273	20	10		ACCDHM
[O-]c1ccccc1CN1CC(O)C1	306163386	345054876	/nfs/dbraw/zinc/05/48/76/345054876.db2.gz	HNBCPCJIIHZLGC-UHFFFAOYSA-N	-1	3	179.219	0.569	20	10		ACCDHM
O=C(c1cc([O-])cs1)N1CC(O)C1	306263248	345153646	/nfs/dbraw/zinc/15/36/46/345153646.db2.gz	YEMGZHQSPSQSMI-UHFFFAOYSA-N	-1	3	199.231	0.270	20	10		ACCDHM
CNC(=O)c1cc([O-])cs1	307531508	346095134	/nfs/dbraw/zinc/09/51/34/346095134.db2.gz	XIPMDSBCTCNCPX-UHFFFAOYSA-N	-1	3	157.194	0.813	20	10		ACCDHM
CONC(=O)c1cccc(O)c1[O-]	146731199	629953950	/nfs/dbraw/zinc/95/39/50/629953950.db2.gz	WFIBAQHWYRFXGL-UHFFFAOYSA-N	-1	3	183.163	0.389	20	10		ACCDHM
O=C(NCCF)c1cccc(O)c1[O-]	306156837	630082628	/nfs/dbraw/zinc/08/26/28/630082628.db2.gz	LZZZPCDLDYJHNN-UHFFFAOYSA-N	-1	3	199.181	0.797	20	10		ACCDHM
CCONC(=O)c1cccc(O)c1[O-]	163280878	630254524	/nfs/dbraw/zinc/25/45/24/630254524.db2.gz	DOMIVHHYZCJIHB-UHFFFAOYSA-N	-1	3	197.190	0.779	20	10		ACCDHM
CON(C)C(=O)c1cccc(O)c1[O-]	163280730	630254605	/nfs/dbraw/zinc/25/46/05/630254605.db2.gz	VMBGTKDYIPWHGQ-UHFFFAOYSA-N	-1	3	197.190	0.731	20	10		ACCDHM
O=C(c1cccc(O)c1[O-])N1CCC1	306220348	631168483	/nfs/dbraw/zinc/16/84/83/631168483.db2.gz	HVQVMMWGMKIQSG-UHFFFAOYSA-N	-1	3	193.202	0.944	20	10		ACCDHM
CCNC(=O)c1cccc(O)c1[O-]	78911523	537876470	/nfs/dbraw/zinc/87/64/70/537876470.db2.gz	RRYTWUYOUOYLGW-UHFFFAOYSA-N	-1	3	181.191	0.848	20	10		ACCDHM