smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc2cccc([O-])c2s1	108264774	537963452	/nfs/dbraw/zinc/96/34/52/537963452.db2.gz	WETVXNMQTVOXGW-UHFFFAOYSA-N	-1	3	164.229	2.915	20	0		AFADHM
CCCc1ccc2oc(C)c([O-])c2c1	107252943	573445829	/nfs/dbraw/zinc/44/58/29/573445829.db2.gz	AHBYIZOQVKALIA-QMMMGPOBSA-N	-1	3	190.242	2.603	20	0		AFADHM
CCCCC(=O)[N-]OC1CCCCC1	779321902	582872648	/nfs/dbraw/zinc/87/26/48/582872648.db2.gz	HNOCMFFXHXZLSU-UHFFFAOYSA-N	-1	3	199.294	2.557	20	0		AFADHM
CCCCCCC(=O)[N-]OC1CCC1	812789972	582971967	/nfs/dbraw/zinc/97/19/67/582971967.db2.gz	FWEGIWUYLYSOIC-UHFFFAOYSA-N	-1	3	199.294	2.557	20	0		AFADHM
CCc1cc([O-])c2occc2c1	212127782	583450770	/nfs/dbraw/zinc/45/07/70/583450770.db2.gz	UKHQIRVVDZLGFH-UHFFFAOYSA-N	-1	3	162.188	2.701	20	0		AFADHM
COc1ccc2ccc([O-])c(F)c2c1	97757744	168264706	/nfs/dbraw/zinc/26/47/06/168264706.db2.gz	ACNFOLBDPQVWJQ-UHFFFAOYSA-N	-1	3	192.189	2.693	20	0		AFADHM
[O-]c1cnc(Cl)c2cc(F)ccc12	91692540	169460654	/nfs/dbraw/zinc/46/06/54/169460654.db2.gz	PDFYFRGSCCJAFO-UHFFFAOYSA-N	-1	3	197.596	2.733	20	0		AFADHM
Cc1csc2c([O-])cccc12	34530034	343121052	/nfs/dbraw/zinc/12/10/52/343121052.db2.gz	CCOSNPSCMBHESX-UHFFFAOYSA-N	-1	3	164.229	2.915	20	0		AFADHM
CSCc1cc([O-])ccc1Cl	216337624	344396737	/nfs/dbraw/zinc/39/67/37/344396737.db2.gz	OJKCTGNCBWVTGT-UHFFFAOYSA-N	-1	3	188.679	2.909	20	0		AFADHM
CC(C)NCc1cccc([O-])c1Cl	306601563	345477367	/nfs/dbraw/zinc/47/73/67/345477367.db2.gz	KADUNRBIGZJANT-UHFFFAOYSA-N	-1	3	199.681	2.544	20	0		AFADHM
S=C1Cc2cc(Cl)ccc2[N-]1	21990040	351410057	/nfs/dbraw/zinc/41/00/57/351410057.db2.gz	LELVKQSAGQIWCQ-UHFFFAOYSA-N	-1	3	183.663	2.635	20	0		AFADHM
[O-]c1cccc2ccsc12	38220265	351480153	/nfs/dbraw/zinc/48/01/53/351480153.db2.gz	GCMUDSUJOMUXKE-UHFFFAOYSA-N	-1	3	150.202	2.607	20	0		AFADHM
[O-]c1ccccc1Oc1cccnc1	88613836	351661617	/nfs/dbraw/zinc/66/16/17/351661617.db2.gz	UYNVVPDSANQDGD-UHFFFAOYSA-N	-1	3	187.198	2.580	20	0		AFADHM
[O-]c1cc(Cl)cc2[nH]ccc12	215605515	351786445	/nfs/dbraw/zinc/78/64/45/351786445.db2.gz	LDXFEDSBHZJLGC-UHFFFAOYSA-N	-1	3	167.595	2.527	20	0		AFADHM
CC1(C)COc2ccc(Cl)c([O-])c21	261508402	351892033	/nfs/dbraw/zinc/89/20/33/351892033.db2.gz	RZSFJDOIZZKDQB-UHFFFAOYSA-N	-1	3	198.649	2.716	20	0		AFADHM
[O-]c1cncc([C@H]2C=CCCC2)c1	521400249	375543036	/nfs/dbraw/zinc/54/30/36/375543036.db2.gz	CFOGULMGTCVFLJ-VIFPVBQESA-N	-1	3	175.231	2.611	20	0		AFADHM
[O-]c1cncc([C@@H]2C=CCCC2)c1	521400248	375543048	/nfs/dbraw/zinc/54/30/48/375543048.db2.gz	CFOGULMGTCVFLJ-SECBINFHSA-N	-1	3	175.231	2.611	20	0		AFADHM
CCCNCc1cccc([O-])c1Cl	382064429	409889074	/nfs/dbraw/zinc/88/90/74/409889074.db2.gz	QNALSUPVSQMXKS-UHFFFAOYSA-N	-1	3	199.681	2.545	20	0		AFADHM
CCC(=O)c1cc(C)cc(Cl)c1[O-]	238240177	574005935	/nfs/dbraw/zinc/00/59/35/574005935.db2.gz	ZNBNDRPGXRRVPN-UHFFFAOYSA-N	-1	3	198.649	2.947	20	0		AFADHM
CCCCCC(=O)[N-]OC1CCCC1	135129122	630849449	/nfs/dbraw/zinc/84/94/49/630849449.db2.gz	GVDKKKIGMPPXAY-UHFFFAOYSA-N	-1	3	199.294	2.557	20	0		AFADHM