smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1CC(c2ccccc2)=NN1c1cccc(S(=O)(=O)[O-])c1	ZINC000034184997	354161036	/nfs/dbraw/zinc/16/10/36/354161036.db2.gz	OZRQQVLADXSFTD-UHFFFAOYSA-N	-1	2	316.338	2.492	40	0		DEABLM
O=C([O-])c1cc(S(=O)(=O)Nc2nccs2)ccc1Cl	ZINC000020003369	256527919	/nfs/dbraw/zinc/52/79/19/256527919.db2.gz	PGUBVFDNBMUUNL-UHFFFAOYSA-N	-1	2	318.763	2.296	40	0		DEABLM
O=C1CC(c2ccccc2)=NN1c1ccc(S(=O)(=O)[O-])cc1	ZINC000139191021	355874508	/nfs/dbraw/zinc/87/45/08/355874508.db2.gz	KDJVQWVFKDCHCF-UHFFFAOYSA-N	-1	2	316.338	2.492	40	0		DEABLM
CCc1oncc1NS(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C	ZINC000548860855	285808655	/nfs/dbraw/zinc/80/86/55/285808655.db2.gz	CXPFFWCKUPPARU-UHFFFAOYSA-N	-1	2	324.358	2.353	40	0		DEABLM
O=C1CC(c2ccccc2)=NN1c1ccc(S(=O)(=O)[O-])cc1	ZINC000016478013	182046857	/nfs/dbraw/zinc/04/68/57/182046857.db2.gz	NCXSAFDRROSFDJ-UHFFFAOYSA-N	-1	2	316.338	2.074	40	0		DEABLM
O=C(Oc1ccccc1Cl)c1ccccc1[P@](=O)([O-])O	ZINC000002776550	401718001	/nfs/dbraw/zinc/71/80/01/401718001.db2.gz	BNNVLTZPETUJOP-UHFFFAOYSA-N	-1	2	312.645	2.362	40	0		DEABLM
O=C(Oc1ccccc1Cl)c1ccccc1[P@@](=O)([O-])O	ZINC000002776550	401718004	/nfs/dbraw/zinc/71/80/04/401718004.db2.gz	BNNVLTZPETUJOP-UHFFFAOYSA-N	-1	2	312.645	2.362	40	0		DEABLM
Nc1ccc(Sc2nc(C(F)(F)F)n[nH]2)c(C(=O)[O-])c1	ZINC000078406710	401850246	/nfs/dbraw/zinc/85/02/46/401850246.db2.gz	KITNZOWIXQMVGG-UHFFFAOYSA-N	-1	2	304.253	2.255	40	0		DEABLM
O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2ccc(F)cc2)c1	ZINC000020005532	401822753	/nfs/dbraw/zinc/82/27/53/401822753.db2.gz	LUTIJSPZIGNGDL-UHFFFAOYSA-N	-1	2	313.281	2.464	40	0		DEABLM
Cc1oc(C)c(S(=O)(=O)Nc2cccs2)c1C(=O)[O-]	ZINC000003881285	181051827	/nfs/dbraw/zinc/05/18/27/181051827.db2.gz	BSKLZAJYYTUMBV-UHFFFAOYSA-N	-1	2	301.345	2.457	40	0	in-vitro	DEABLM
CCCCCCc1c(O)nc(SCCC(=O)[O-])[nH]c1=O	ZINC000009056960	401758813	/nfs/dbraw/zinc/75/88/13/401758813.db2.gz	WFWPQHHIIQXEGH-UHFFFAOYSA-N	-1	2	300.380	2.165	40	0		DEABLM
Cc1csc(NS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)n1	ZINC000020016226	418413291	/nfs/dbraw/zinc/41/32/91/418413291.db2.gz	AYECDMMZNKSUEM-UHFFFAOYSA-N	-1	2	316.335	2.090	40	0		DEABLM
CCc1oncc1NS(=O)(=O)c1ccc(CC)c(C(=O)[O-])c1	ZINC000337879259	404289253	/nfs/dbraw/zinc/28/92/53/404289253.db2.gz	WXGAVNSABPDNNT-UHFFFAOYSA-N	-1	2	324.358	2.298	40	0		DEABLM
Nc1cc(C(=O)[O-])ccc1Sc1nc(C(F)(F)F)n[nH]1	ZINC000078406753	401850556	/nfs/dbraw/zinc/85/05/56/401850556.db2.gz	DBBBOHPVAIATCE-UHFFFAOYSA-N	-1	2	304.253	2.255	40	0		DEABLM
O=C([O-])c1ccc(Cl)c(S(=O)(=O)Nc2nccs2)c1	ZINC000021796886	182289801	/nfs/dbraw/zinc/28/98/01/182289801.db2.gz	UMDKHNBBDTUOMX-UHFFFAOYSA-N	-1	2	318.763	2.296	40	0		DEABLM
N=C1O[C@H](c2ccc([C@H]3OC(=N)C(O)C3=O)cc2)C([O-])=C1O	ZINC000104239980	402201564	/nfs/dbraw/zinc/20/15/64/402201564.db2.gz	LUVGEWJRZDBOAQ-VXGBXAGGSA-N	-1	2	304.258	2.439	40	0		DEABLM
[NH3+]c1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(C(=O)[O-])c1	ZINC000136897769	355869062	/nfs/dbraw/zinc/86/90/62/355869062.db2.gz	AGWXQIYPQLFAFL-UHFFFAOYSA-N	-1	2	311.385	2.289	40	0		DEABLM
Cc1cc(S(=O)(=O)Nc2c(C)noc2C)sc1C(=O)[O-]	ZINC000299484586	229144845	/nfs/dbraw/zinc/14/48/45/229144845.db2.gz	GMUVKQCQTIZFQM-UHFFFAOYSA-N	-1	2	316.360	2.160	40	0		DEABLM
Cc1csc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)n1	ZINC000021815348	418413302	/nfs/dbraw/zinc/41/33/02/418413302.db2.gz	BJRQWPVFCMMTCX-UHFFFAOYSA-N	-1	2	316.335	2.090	40	0		DEABLM