smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CNC(=O)c1cc(S(=O)(=O)Nc2cnn(C)c2C(=O)[O-])cn1C	ZINC000536989845	381849588	/nfs/dbraw/zinc/84/95/88/381849588.db2.gz	AAXNZPAZYFBYAB-UHFFFAOYSA-N	-1	2	341.349	-0.383	40	0		EBABLM
Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@H](CO[P@@](=O)([O-])O)O1	ZINC000003869814	379720350	/nfs/dbraw/zinc/72/03/50/379720350.db2.gz	KHWCHTKSEGGWEX-LYFYHCNISA-N	-1	2	331.225	-0.834	40	0		EBABLM
Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@H](CO[P@](=O)([O-])O)O1	ZINC000003869814	379720359	/nfs/dbraw/zinc/72/03/59/379720359.db2.gz	KHWCHTKSEGGWEX-LYFYHCNISA-N	-1	2	331.225	-0.834	40	0		EBABLM
CCc1nnc(SC(=Cc2c(O)[nH]c(=O)[nH]c2=O)C(=O)[O-])o1	ZINC000408630518	375897251	/nfs/dbraw/zinc/89/72/51/375897251.db2.gz	AWZHZDYKTRFPKC-HWKANZROSA-N	-1	2	326.290	-0.325	40	0		EBABLM
NC(=O)c1cccc([C@H]2O[C@@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@@H]2O)c1	ZINC000005811925	375906910	/nfs/dbraw/zinc/90/69/10/375906910.db2.gz	QTPHDABYULBTRC-ZRUFSTJUSA-N	-1	2	333.233	-0.944	40	0		EBABLM
NC(=O)c1cccc([C@H]2O[C@@H](CO[P@](=O)([O-])O)[C@@H](O)[C@@H]2O)c1	ZINC000005811925	375906919	/nfs/dbraw/zinc/90/69/19/375906919.db2.gz	QTPHDABYULBTRC-ZRUFSTJUSA-N	-1	2	333.233	-0.944	40	0		EBABLM
Nc1ncnc2c1ncn2[C@H]1C[C@@H](O)[C@@H](CO[P@@](=O)([O-])O)O1	ZINC000012958401	375969459	/nfs/dbraw/zinc/96/94/59/375969459.db2.gz	KHWCHTKSEGGWEX-FSDSQADBSA-N	-1	2	331.225	-0.834	40	0		EBABLM
Nc1ncnc2c1ncn2[C@H]1C[C@@H](O)[C@@H](CO[P@](=O)([O-])O)O1	ZINC000012958401	375969468	/nfs/dbraw/zinc/96/94/68/375969468.db2.gz	KHWCHTKSEGGWEX-FSDSQADBSA-N	-1	2	331.225	-0.834	40	0		EBABLM
O=c1[nH]c(=S)ccn1[C@@H]1O[C@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@H]1O	ZINC000013518042	376114278	/nfs/dbraw/zinc/11/42/78/376114278.db2.gz	CKTAUHRBDDXUDJ-XVFCMESISA-N	-1	2	340.250	-0.953	40	0	in-vitro	EBABLM
O=c1[nH]c(=S)ccn1[C@@H]1O[C@H](CO[P@](=O)([O-])O)[C@@H](O)[C@H]1O	ZINC000013518042	376114285	/nfs/dbraw/zinc/11/42/85/376114285.db2.gz	CKTAUHRBDDXUDJ-XVFCMESISA-N	-1	2	340.250	-0.953	40	0	in-vitro	EBABLM
Nc1cccc2c1NCN2[C@H]1O[C@@H](CO[P@@](=O)([O-])O)[C@H](O)[C@@H]1O	ZINC000584578744	381188538	/nfs/dbraw/zinc/18/85/38/381188538.db2.gz	VJVVURBCGBJYEF-VGDYDELISA-N	-1	2	347.264	-0.986	40	0		EBABLM
Nc1cccc2c1NCN2[C@H]1O[C@@H](CO[P@](=O)([O-])O)[C@H](O)[C@@H]1O	ZINC000584578744	381188545	/nfs/dbraw/zinc/18/85/45/381188545.db2.gz	VJVVURBCGBJYEF-VGDYDELISA-N	-1	2	347.264	-0.986	40	0		EBABLM
CCCc1nc(SC(=Cc2c(O)[nH]c(=O)[nH]c2=O)C(=O)[O-])n[nH]1	ZINC000408631426	375897720	/nfs/dbraw/zinc/89/77/20/375897720.db2.gz	ISRKVMBHRWNKKB-GQCTYLIASA-N	-1	2	339.333	-0.200	40	0		EBABLM
NC(=O)c1cccc([C@@H]2O[C@@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@@H]2O)c1	ZINC000005811926	375905604	/nfs/dbraw/zinc/90/56/04/375905604.db2.gz	QTPHDABYULBTRC-VLEAKVRGSA-N	-1	2	333.233	-0.944	40	0		EBABLM
NC(=O)c1cccc([C@@H]2O[C@@H](CO[P@](=O)([O-])O)[C@@H](O)[C@@H]2O)c1	ZINC000005811926	375905610	/nfs/dbraw/zinc/90/56/10/375905610.db2.gz	QTPHDABYULBTRC-VLEAKVRGSA-N	-1	2	333.233	-0.944	40	0		EBABLM
CCc1nc(SC(=Cc2c(O)[nH]c(=O)[nH]c2=O)C(=O)[O-])n[nH]1	ZINC000408631360	375898233	/nfs/dbraw/zinc/89/82/33/375898233.db2.gz	HYBRNOYQEMZSQU-HWKANZROSA-N	-1	2	325.306	-0.590	40	0		EBABLM
Cn1c2ncn(CCCCO[P@@](=O)([O-])O)c2c(=O)n(C)c1=O	ZINC000001672323	375876851	/nfs/dbraw/zinc/87/68/51/375876851.db2.gz	BIIRMQIYOMATHQ-UHFFFAOYSA-N	-1	2	332.253	-0.677	40	0		EBABLM
Cn1c2ncn(CCCCO[P@](=O)([O-])O)c2c(=O)n(C)c1=O	ZINC000001672323	375876857	/nfs/dbraw/zinc/87/68/57/375876857.db2.gz	BIIRMQIYOMATHQ-UHFFFAOYSA-N	-1	2	332.253	-0.677	40	0		EBABLM
NC(=O)c1cccc([C@@H]2O[C@@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@H]2O)c1	ZINC000005811924	303347702	/nfs/dbraw/zinc/34/77/02/303347702.db2.gz	QTPHDABYULBTRC-ZDCRXTMVSA-N	-1	2	333.233	-0.944	40	0		EBABLM
NC(=O)c1cccc([C@@H]2O[C@@H](CO[P@](=O)([O-])O)[C@@H](O)[C@H]2O)c1	ZINC000005811924	303347704	/nfs/dbraw/zinc/34/77/04/303347704.db2.gz	QTPHDABYULBTRC-ZDCRXTMVSA-N	-1	2	333.233	-0.944	40	0		EBABLM
Nc1nc2c(ncn2[C@H]2C=C[C@@H](CO[P@@](=O)([O-])O)C2)c(=O)[nH]1	ZINC000006585286	375911206	/nfs/dbraw/zinc/91/12/06/375911206.db2.gz	OJDRNVIJFVCXOM-RQJHMYQMSA-N	-1	2	327.237	-0.072	40	0	in-vitro	EBABLM
Nc1nc2c(ncn2[C@H]2C=C[C@@H](CO[P@](=O)([O-])O)C2)c(=O)[nH]1	ZINC000006585286	375911212	/nfs/dbraw/zinc/91/12/12/375911212.db2.gz	OJDRNVIJFVCXOM-RQJHMYQMSA-N	-1	2	327.237	-0.072	40	0	in-vitro	EBABLM
NC(=O)c1cccc([C@H]2O[C@@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@H]2O)c1	ZINC000005811921	375906095	/nfs/dbraw/zinc/90/60/95/375906095.db2.gz	QTPHDABYULBTRC-LNFKQOIKSA-N	-1	2	333.233	-0.944	40	0		EBABLM
NC(=O)c1cccc([C@H]2O[C@@H](CO[P@](=O)([O-])O)[C@@H](O)[C@H]2O)c1	ZINC000005811921	375906099	/nfs/dbraw/zinc/90/60/99/375906099.db2.gz	QTPHDABYULBTRC-LNFKQOIKSA-N	-1	2	333.233	-0.944	40	0		EBABLM
Nc1ncnc2c1ncn2[C@H]1C[C@@H](O)[C@H](CO[P@@](=O)([O-])O)O1	ZINC000003869815	210082140	/nfs/dbraw/zinc/08/21/40/210082140.db2.gz	KHWCHTKSEGGWEX-DSYKOEDSSA-N	-1	2	331.225	-0.834	40	0		EBABLM
Nc1ncnc2c1ncn2[C@H]1C[C@@H](O)[C@H](CO[P@](=O)([O-])O)O1	ZINC000003869815	210082143	/nfs/dbraw/zinc/08/21/43/210082143.db2.gz	KHWCHTKSEGGWEX-DSYKOEDSSA-N	-1	2	331.225	-0.834	40	0		EBABLM