smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N[C@H](C)CO[P@@](=O)([O-])O	ZINC000027644709	569286177	/nfs/dbraw/zinc/28/61/77/569286177.db2.gz	LONSAFDJFAGAFZ-FQPARAGTSA-N	-1	2	441.549	5.746	50	0	in-vitro	IKAALM
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N[C@H](C)CO[P@](=O)([O-])O	ZINC000027644709	569286178	/nfs/dbraw/zinc/28/61/78/569286178.db2.gz	LONSAFDJFAGAFZ-FQPARAGTSA-N	-1	2	441.549	5.746	50	0	in-vitro	IKAALM
COc1ccc(-c2cc3[nH]c(C(Cl)=Cc4ccc(C(=O)[O-])cc4)nc(=O)c3s2)cc1	ZINC000012768145	523115871	/nfs/dbraw/zinc/11/58/71/523115871.db2.gz	CPTGRGVRPMWOCW-YBEGLDIGSA-N	-1	2	438.892	5.095	50	0		IKAALM
CCCCN(Cc1ccccc1)c1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cccs1	ZINC000032971197	556588605	/nfs/dbraw/zinc/58/86/05/556588605.db2.gz	FDAHCLGIBHHLPG-UHFFFAOYSA-N	-1	2	444.578	5.054	50	0		IKAALM
CCc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4cccc5ccccc54)[C@@H]3C2=O)cc1	ZINC000229955310	557834195	/nfs/dbraw/zinc/83/41/95/557834195.db2.gz	SDKLWRWAVXGWGH-OYUWMTPXSA-N	-1	2	448.522	5.453	50	0		IKAALM
Cc1ccc(-c2n[nH]c3c2[C@@H](c2ccccc2Cl)N(c2ccc(C(=O)[O-])cc2)C3=O)cc1	ZINC000008595565	562953556	/nfs/dbraw/zinc/95/35/56/562953556.db2.gz	GEXWOAADCSXIHV-HSZRJFAPSA-N	-1	2	443.890	5.487	50	0		IKAALM
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCO[P@@](=O)([O-])O	ZINC000013761105	563005132	/nfs/dbraw/zinc/00/51/32/563005132.db2.gz	PZPHIQQEQWCEGG-DOFZRALJSA-N	-1	2	427.522	5.358	50	0	in-vitro	IKAALM
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCO[P@](=O)([O-])O	ZINC000013761105	563005134	/nfs/dbraw/zinc/00/51/34/563005134.db2.gz	PZPHIQQEQWCEGG-DOFZRALJSA-N	-1	2	427.522	5.358	50	0	in-vitro	IKAALM
COc1ccccc1-c1c(C)n[nH]c1-c1ccc(OCc2ccc(F)cc2Cl)cc1O	ZINC000009130637	569506114	/nfs/dbraw/zinc/50/61/14/569506114.db2.gz	NMKTVYNLRBCHOH-UHFFFAOYSA-N	-1	2	438.886	6.138	50	0		IKAALM
O=C([O-])c1ccc(N2C(=O)c3[nH]nc(-c4ccccc4)c3[C@H]2c2ccccc2Cl)cc1	ZINC000009679092	569559857	/nfs/dbraw/zinc/55/98/57/569559857.db2.gz	SSPODNUVKHHSMT-JOCHJYFZSA-N	-1	2	429.863	5.178	50	0		IKAALM
CCCCN(Cc1ccccc1)c1ccc(NS(=O)(=O)c2cccs2)cc1C(=O)[O-]	ZINC000032962151	556580257	/nfs/dbraw/zinc/58/02/57/556580257.db2.gz	DHRQSXYDDHFNGJ-UHFFFAOYSA-N	-1	2	444.578	5.054	50	0		IKAALM
Cc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4cccc5ccccc54)[C@@H]3C2=O)cc1C	ZINC000229953302	557834209	/nfs/dbraw/zinc/83/42/09/557834209.db2.gz	DJOYRLBCLJOQFF-OYUWMTPXSA-N	-1	2	448.522	5.508	50	0		IKAALM
Cc1ccc(-c2n[nH]c3c2[C@H](c2ccccc2Cl)N(c2ccc(C(=O)[O-])cc2)C3=O)cc1	ZINC000008595567	562953570	/nfs/dbraw/zinc/95/35/70/562953570.db2.gz	GEXWOAADCSXIHV-QHCPKHFHSA-N	-1	2	443.890	5.487	50	0		IKAALM
O=C([O-])c1ccc(N2C(=O)c3[nH]nc(-c4ccccc4)c3[C@@H]2c2ccccc2Cl)cc1	ZINC000009679093	569559794	/nfs/dbraw/zinc/55/97/94/569559794.db2.gz	SSPODNUVKHHSMT-QFIPXVFZSA-N	-1	2	429.863	5.178	50	0		IKAALM
S=C([N-]c1ccccc1Cl)SCCSC(=S)Nc1ccccc1Cl	ZINC000003131829	555890517	/nfs/dbraw/zinc/89/05/17/555890517.db2.gz	ZQQVWLXJIDKDQM-UHFFFAOYSA-N	-1	2	433.476	6.554	50	0		IKAALM
CC(C)CN(CC(C)C)c1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1C(=O)[O-]	ZINC000032962135	556581249	/nfs/dbraw/zinc/58/12/49/556581249.db2.gz	ORUYQJSRWHQLIJ-UHFFFAOYSA-N	-1	2	445.006	5.019	50	0		IKAALM
O=C([O-])c1ccc(N2C(=O)c3[nH]nc(-c4ccccc4)c3[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000009679096	569559853	/nfs/dbraw/zinc/55/98/53/569559853.db2.gz	IKKGALNFMJPEFT-QFIPXVFZSA-N	-1	2	429.863	5.178	50	0		IKAALM
CC[N@H+](Cc1nc(=O)c2c([nH]1)sc(C)c2-c1ccc(C)cc1)C[C@@H](O)c1ccc(C)cc1	ZINC000072305239	556553203	/nfs/dbraw/zinc/55/32/03/556553203.db2.gz	ZMMYPVCFIDQKQL-OAQYLSRUSA-N	-1	2	447.604	5.132	50	0		IKAALM
CC[N@H+](Cc1nc(=O)c2c([nH]1)sc(C)c2-c1ccc(C)cc1)C[C@H](O)c1ccc(C)cc1	ZINC000072305238	556553398	/nfs/dbraw/zinc/55/33/98/556553398.db2.gz	ZMMYPVCFIDQKQL-NRFANRHFSA-N	-1	2	447.604	5.132	50	0		IKAALM
CCCCOc1ccc(S(=O)(=O)Nc2cccc(-c3cn4cccc(C)c4[nH+]3)c2)cc1	ZINC000006278419	557217629	/nfs/dbraw/zinc/21/76/29/557217629.db2.gz	MAEPOMMKJZDCIP-UHFFFAOYSA-N	-1	2	435.549	5.289	50	0		IKAALM
CCCCCCc1cc2c(cc1O)oc(CCC(=O)[O-])c(-c1nc3ccccc3n1C)c2=O	ZINC000021539836	520137419	/nfs/dbraw/zinc/13/74/19/520137419.db2.gz	OGSFNZBRHXKTDM-UHFFFAOYSA-N	-1	2	448.519	5.192	50	0		IKAALM
CCCc1[nH+]c2c(cc(C(=O)[O-])cc2C)n1Cc1ccc(-c2ccccc2C(=O)[O-])cc1	ZINC000071973823	556889522	/nfs/dbraw/zinc/88/95/22/556889522.db2.gz	XVWHGXBWUBIPAA-UHFFFAOYSA-N	-1	2	428.488	5.409	50	0	in-vitro	IKAALM
O=C([O-])c1ccc(N2C(=O)c3[nH]nc(-c4ccccc4)c3[C@H]2c2ccc(Cl)cc2)cc1	ZINC000009679095	569559821	/nfs/dbraw/zinc/55/98/21/569559821.db2.gz	IKKGALNFMJPEFT-JOCHJYFZSA-N	-1	2	429.863	5.178	50	0		IKAALM