smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1nc2c(ncn2C[C@H](CF)OCP(=O)([O-])[O-])c(=O)[nH]1	ZINC000001554970	374242087	/nfs/dbraw/zinc/24/20/87/374242087.db2.gz	KZUGHQWNFSZLLP-YFKPBYRVSA-N	-2	1	321.205	-0.808	10	0		DBAEML
COC[C@](C)([N-]S(=O)(=O)c1csnc1OC)C(=O)[O-]	ZINC000714380444	977669535	/nfs/dbraw/zinc/66/95/35/977669535.db2.gz	QDTCTLATMQYMIW-VIFPVBQESA-N	-2	1	310.353	-0.080	10	0		DBAEML
COCC[C@H]([N-]S(=O)(=O)c1csnc1OC)C(=O)[O-]	ZINC000714379248	977669584	/nfs/dbraw/zinc/66/95/84/977669584.db2.gz	GQRAQEOHBODXSF-LURJTMIESA-N	-2	1	310.353	-0.080	10	0		DBAEML
O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]CC[C@@H](O)C(F)(F)F	ZINC000717281277	977890005	/nfs/dbraw/zinc/89/00/05/977890005.db2.gz	SGCJVCMMFZFIFI-RXMQYKEDSA-N	-2	1	317.245	-0.301	10	0		DBAEML
COC(=O)[C@H](CO)[N-]S(=O)(=O)C1CCC(C(=O)[O-])CC1	ZINC000712784266	977593498	/nfs/dbraw/zinc/59/34/98/977593498.db2.gz	YVZSLUJQBNGCBF-HACHORDNSA-N	-2	1	309.340	-0.917	10	0		DBAEML
COCC[C@@H]([N-]S(=O)(=O)c1cc(OC)ns1)C(=O)[O-]	ZINC000717791967	977920001	/nfs/dbraw/zinc/92/00/01/977920001.db2.gz	IIYRQYJGYNWGII-ZCFIWIBFSA-N	-2	1	310.353	-0.080	10	0		DBAEML
C[C@@H](Cn1cnc2c1nc(N)nc2N)OCP(=O)([O-])[O-]	ZINC000002047763	374246465	/nfs/dbraw/zinc/24/64/65/374246465.db2.gz	LWEKFDHXJHJYGB-YFKPBYRVSA-N	-2	1	302.231	-0.469	10	0	in-vivo	DBAEML
COc1nscc1S(=O)(=O)[N-][C@H]1CCO[C@H]1C(=O)[O-]	ZINC000714337107	977667671	/nfs/dbraw/zinc/66/76/71/977667671.db2.gz	DVIHWZNFNWTTCJ-CAHLUQPWSA-N	-2	1	308.337	-0.328	10	0		DBAEML
COCC[C@H]([N-]S(=O)(=O)c1cc(OC)ns1)C(=O)[O-]	ZINC000717791964	977920093	/nfs/dbraw/zinc/92/00/93/977920093.db2.gz	IIYRQYJGYNWGII-LURJTMIESA-N	-2	1	310.353	-0.080	10	0		DBAEML
C[C@@H](Cn1cnc2c1nc(N)[nH]c2=O)OCP(=O)([O-])[O-]	ZINC000026665178	374760984	/nfs/dbraw/zinc/76/09/84/374760984.db2.gz	LDQMGQXMJIFSNJ-YFKPBYRVSA-N	-2	1	303.215	-0.758	10	0		DBAEML
COc1cc(S(=O)(=O)[N-][C@@]2(C(=O)[O-])CCOC2)sn1	ZINC000717778719	955147739	/nfs/dbraw/zinc/14/77/39/955147739.db2.gz	DISIQNCWPQGAPV-VIFPVBQESA-N	-2	1	308.337	-0.326	10	0		DBAEML
O=C([O-])c1c[nH]nc1S(=O)(=O)[N-][C@@H](CO)CC(F)(F)F	ZINC000717739820	977912862	/nfs/dbraw/zinc/91/28/62/977912862.db2.gz	NPUPSSZJEPUSLT-SCSAIBSYSA-N	-2	1	317.245	-0.301	10	0		DBAEML
COc1nscc1S(=O)(=O)[N-][C@@]1(C(=O)[O-])CCOC1	ZINC000714376162	977669413	/nfs/dbraw/zinc/66/94/13/977669413.db2.gz	TVGBORQAUHHCFY-VIFPVBQESA-N	-2	1	308.337	-0.326	10	0		DBAEML
O=c1[n-]c(-c2c[nH]nn2)nc([O-])c1I	ZINC000158779675	375081193	/nfs/dbraw/zinc/08/11/93/375081193.db2.gz	HPVBDOMNKDEEOF-UHFFFAOYSA-N	-2	1	305.035	-0.135	10	0		DBAEML
COC[C@@](C)([N-]S(=O)(=O)c1csnc1OC)C(=O)[O-]	ZINC000714380443	977669379	/nfs/dbraw/zinc/66/93/79/977669379.db2.gz	QDTCTLATMQYMIW-SECBINFHSA-N	-2	1	310.353	-0.080	10	0		DBAEML
COc1cc(S(=O)(=O)[N-][C@]2(C(=O)[O-])CCOC2)sn1	ZINC000717778718	955147617	/nfs/dbraw/zinc/14/76/17/955147617.db2.gz	DISIQNCWPQGAPV-SECBINFHSA-N	-2	1	308.337	-0.326	10	0		DBAEML
COC(=O)CC[C@@H]([N-]S(=O)(=O)c1ccns1)C(=O)[O-]	ZINC000717671309	977906251	/nfs/dbraw/zinc/90/62/51/977906251.db2.gz	HILHQONCFWZJGI-ZCFIWIBFSA-N	-2	1	308.337	-0.172	10	0		DBAEML
COC(=O)CC[C@H]([N-]S(=O)(=O)c1ccns1)C(=O)[O-]	ZINC000717671307	969093336	/nfs/dbraw/zinc/09/33/36/969093336.db2.gz	HILHQONCFWZJGI-LURJTMIESA-N	-2	1	308.337	-0.172	10	0		DBAEML
COCC[C@@H]([N-]S(=O)(=O)c1csnc1OC)C(=O)[O-]	ZINC000714379249	977669732	/nfs/dbraw/zinc/66/97/32/977669732.db2.gz	GQRAQEOHBODXSF-ZCFIWIBFSA-N	-2	1	310.353	-0.080	10	0		DBAEML
COc1nscc1S(=O)(=O)[N-][C@]1(C(=O)[O-])CCOC1	ZINC000714376161	977669829	/nfs/dbraw/zinc/66/98/29/977669829.db2.gz	TVGBORQAUHHCFY-SECBINFHSA-N	-2	1	308.337	-0.326	10	0		DBAEML
O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]CC[C@H](O)C(F)(F)F	ZINC000717281279	977890301	/nfs/dbraw/zinc/89/03/01/977890301.db2.gz	SGCJVCMMFZFIFI-YFKPBYRVSA-N	-2	1	317.245	-0.301	10	0		DBAEML
O=C([O-])c1c[nH]nc1S(=O)(=O)[N-][C@H](CO)CC(F)(F)F	ZINC000717739815	977912903	/nfs/dbraw/zinc/91/29/03/977912903.db2.gz	NPUPSSZJEPUSLT-BYPYZUCNSA-N	-2	1	317.245	-0.301	10	0		DBAEML
Nc1nc2c(ncn2C[C@@H](CF)OCP(=O)([O-])[O-])c(=O)[nH]1	ZINC000026660187	374761680	/nfs/dbraw/zinc/76/16/80/374761680.db2.gz	KZUGHQWNFSZLLP-RXMQYKEDSA-N	-2	1	321.205	-0.808	10	0		DBAEML
COc1cc(S(=O)(=O)[N-]C[C@H]2CCO[C@H]2C(=O)[O-])sn1	ZINC000717683849	977907177	/nfs/dbraw/zinc/90/71/77/977907177.db2.gz	RDYBPAFXYOWNFP-HZGVNTEJSA-N	-2	1	322.364	-0.080	10	0		DBAEML