smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)[N-]C(c3ccccc3)c3ccccc3)c21	ZINC000004758519	194395073	/nfs/dbraw/zinc/39/50/73/194395073.db2.gz	USDYXNYUDLQHQB-UHFFFAOYSA-N	-1	3	499.430	4.816	10	0		JJAEHM
CC(=O)N1c2c(cc(Br)cc2S(=O)(=O)[N-]c2ccc(C)cc2Cl)C[C@@H]1C	ZINC000004759436	194395336	/nfs/dbraw/zinc/39/53/36/194395336.db2.gz	QEZMDBKQOHAYAC-NSHDSACASA-N	-1	3	457.777	4.509	10	0		JJAEHM
Cc1ccc(-n2c(=O)c3cn[n-]c3nc2SCC(=O)c2ccc(Br)cc2)cc1Cl	ZINC000009495566	555280241	/nfs/dbraw/zinc/28/02/41/555280241.db2.gz	ZKYWVONGNHLQDJ-UHFFFAOYSA-N	-1	3	489.782	4.808	10	0		JJAEHM
Cc1ccc(-n2c(=O)c3c[n-]nc3nc2SCC(=O)c2ccc(Br)cc2)cc1Cl	ZINC000009495566	555280242	/nfs/dbraw/zinc/28/02/42/555280242.db2.gz	ZKYWVONGNHLQDJ-UHFFFAOYSA-N	-1	3	489.782	4.808	10	0		JJAEHM
COc1ccc(S(=O)(=O)[N-]c2cc(-c3ccc4nc(NC(C)=O)sc4c3)cnc2Cl)cc1	ZINC000043202512	525077605	/nfs/dbraw/zinc/07/76/05/525077605.db2.gz	FJEZIFXPFQZBFH-UHFFFAOYSA-N	-1	3	488.978	4.780	10	0		JJAEHM
CCCCNC(=O)c1cccnc1Oc1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1	ZINC000065074561	569657219	/nfs/dbraw/zinc/65/72/19/569657219.db2.gz	FWVAKBODEJUZOY-UHFFFAOYSA-N	-1	3	453.564	4.821	10	0		JJAEHM
Cc1cc(NC(=S)NC(=O)COc2ccc(C(C)(C)C)cc2)cc(Br)c1[O-]	ZINC000226244192	570037398	/nfs/dbraw/zinc/03/73/98/570037398.db2.gz	STWWWTZCDWCTCA-UHFFFAOYSA-N	-1	3	451.386	4.653	10	0		JJAEHM
Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(N3CCC([NH+]4CCCCC4)CC3)c(C(=O)[O-])c2)c(C)c1	ZINC000033253595	524325414	/nfs/dbraw/zinc/32/54/14/524325414.db2.gz	HUQHHGUWKYNDQH-UHFFFAOYSA-N	-1	3	485.650	4.566	10	0		JJAEHM
Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=S)NC(=O)C=Cc3cccs3)cc2)c(C)c1	ZINC000033530932	525303013	/nfs/dbraw/zinc/30/30/13/525303013.db2.gz	QXCMDGAQNOSNOR-WQLSENKSSA-N	-1	3	471.629	4.692	10	0		JJAEHM
O=C(Nc1ccc(Br)cc1)c1ccc(F)c(S(=O)(=O)[N-]C2CCCCCC2)c1	ZINC000003022538	194209499	/nfs/dbraw/zinc/20/94/99/194209499.db2.gz	NQKACOAFZOUWMI-UHFFFAOYSA-N	-1	3	469.376	4.842	10	0		JJAEHM
CC(=O)N1c2c(cc(Br)cc2S(=O)(=O)[N-]c2ccc(C)cc2Cl)C[C@H]1C	ZINC000004759435	194395388	/nfs/dbraw/zinc/39/53/88/194395388.db2.gz	QEZMDBKQOHAYAC-LLVKDONJSA-N	-1	3	457.777	4.509	10	0		JJAEHM
CCCCc1ccc(NC(=O)c2ccc(-c3ccc(S(=O)(=O)[N-]CCOC)s3)cc2)cc1	ZINC000064999729	521283013	/nfs/dbraw/zinc/28/30/13/521283013.db2.gz	NBKMTVCNKFDUNR-UHFFFAOYSA-N	-1	3	472.632	4.935	10	0		JJAEHM
COC(=O)[C@]([O-])(c1ccc(N(C)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1)C(F)(F)F	ZINC000002027027	524007072	/nfs/dbraw/zinc/00/70/72/524007072.db2.gz	LKRXDIBIDIIJEU-QGZVFWFLSA-N	-1	3	451.228	4.585	10	0		JJAEHM
O=C(c1cccc2ccccc21)N1CCc2nc(Cc3ccccc3C(F)(F)F)[n-]c(=O)c2C1	ZINC000016531443	556142463	/nfs/dbraw/zinc/14/24/63/556142463.db2.gz	IDOIRYVLJXOFEX-UHFFFAOYSA-N	-1	3	463.459	4.731	10	0		JJAEHM
CC(C)CN(Cc1cc([N-]S(=O)(=O)c2ccc(F)cc2)ccc1N(C)C)C(=O)c1ccco1	ZINC000034921838	569672586	/nfs/dbraw/zinc/67/25/86/569672586.db2.gz	RNMUZIMMHVEDED-UHFFFAOYSA-N	-1	3	473.570	4.584	10	0		JJAEHM
COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)Nc1cc(C)c([O-])c(Br)c1	ZINC000226243965	570037205	/nfs/dbraw/zinc/03/72/05/570037205.db2.gz	UQSJZJHNZVVKTE-UHFFFAOYSA-N	-1	3	464.168	4.905	10	0		JJAEHM
Cc1ccc(C(C)C)c(OCC(=O)NC(=S)Nc2cc(C)c([O-])c(Br)c2)c1	ZINC000226244234	570037434	/nfs/dbraw/zinc/03/74/34/570037434.db2.gz	OCHGTYSEDWIMTH-UHFFFAOYSA-N	-1	3	451.386	4.787	10	0		JJAEHM
CCCOc1c(Br)cc(CNCc2ccc(C(=O)[O-])cc2)cc1Br	ZINC000020926872	195249325	/nfs/dbraw/zinc/24/93/25/195249325.db2.gz	SQXQCAWVVSRFPI-UHFFFAOYSA-N	-1	3	457.162	4.988	10	0		JJAEHM
COC(=O)[C@@]([O-])(c1ccc(N(C)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1)C(F)(F)F	ZINC000002027030	554009106	/nfs/dbraw/zinc/00/91/06/554009106.db2.gz	LKRXDIBIDIIJEU-KRWDZBQOSA-N	-1	3	451.228	4.585	10	0		JJAEHM
COc1ccc(S(=O)(=O)[N-]c2ccc([C@H]3SCC(=O)N3c3cccc(C)c3)cc2)cc1	ZINC000035910500	569725823	/nfs/dbraw/zinc/72/58/23/569725823.db2.gz	ACUZEEPFGHOCCQ-HSZRJFAPSA-N	-1	3	454.573	4.583	10	0		JJAEHM
CCCCc1cc(C(=O)Nc2c(N)n(-c3ccccc3)c(=O)n(CCC)c2=O)cc(CCCC)c1[O-]	ZINC000001543890	194127803	/nfs/dbraw/zinc/12/78/03/194127803.db2.gz	MUBNFACGSYUVRK-UHFFFAOYSA-N	-1	3	492.620	4.635	10	0		JJAEHM
Cc1ccc([N-]S(=O)(=O)c2cc(Br)cc3c2N(C(=O)C2CC2)CC3)c(Cl)c1	ZINC000004758795	194395118	/nfs/dbraw/zinc/39/51/18/194395118.db2.gz	XIOOQYURSARAOI-UHFFFAOYSA-N	-1	3	469.788	4.511	10	0		JJAEHM
CCCOc1c(CN[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc(Br)cc1OC	ZINC000020934370	195252076	/nfs/dbraw/zinc/25/20/76/195252076.db2.gz	VPXPLAGBEDEEIZ-LJQANCHMSA-N	-1	3	461.356	4.513	10	0		JJAEHM
CCCOc1c(CN[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc(Br)cc1OC	ZINC000020934365	195252235	/nfs/dbraw/zinc/25/22/35/195252235.db2.gz	VPXPLAGBEDEEIZ-IBGZPJMESA-N	-1	3	461.356	4.513	10	0		JJAEHM
COc1ccc(S(=O)(=O)[N-]c2ccc([C@@H]3SCC(=O)N3c3cccc(C)c3)cc2)cc1	ZINC000035910499	569725837	/nfs/dbraw/zinc/72/58/37/569725837.db2.gz	ACUZEEPFGHOCCQ-QHCPKHFHSA-N	-1	3	454.573	4.583	10	0		JJAEHM
COc1c(Cl)cc(C(=O)NC(=S)Nc2cc(C)c([O-])c(Br)c2)cc1Cl	ZINC000226244019	570037388	/nfs/dbraw/zinc/03/73/88/570037388.db2.gz	XBFFPDKADRLZRV-UHFFFAOYSA-N	-1	3	464.168	4.905	10	0		JJAEHM