smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=P([O-])([O-])OC[C@H]1O[C@@H](n2cnc3c2ncnc3NS(=O)(=O)CCCF)C[C@@H]1O	ZINC001189868492	1068886224	/nfs/dbraw/zinc/88/62/24/1068886224.db2.gz	MUMNCQJMMFJRTL-IVZWLZJFSA-N	-2	2	455.361	-0.315	20	0		JBADLL
O=P([O-])([O-])OC[C@H]1O[C@@H](n2cnc3c2ncnc3NS(=O)(=O)CC2CCCC2)[C@@H](O)[C@@H]1O	ZINC001191487767	1068899504	/nfs/dbraw/zinc/89/95/04/1068899504.db2.gz	BTFPYAZDKWHZJP-YGSHXTJESA-N	-2	2	493.435	-0.513	20	0		JBADLL
O=P([O-])([O-])OC[C@H]1O[C@@H](n2cnc3c2ncnc3NS(=O)(=O)CC2CCCC2)[C@H](O)[C@@H]1O	ZINC001191488385	1068899766	/nfs/dbraw/zinc/89/97/66/1068899766.db2.gz	BTFPYAZDKWHZJP-XNIJJKJLSA-N	-2	2	493.435	-0.513	20	0		JBADLL
O=P([O-])([O-])OC[C@H]1O[C@@H](n2cnc3c2ncnc3NS(=O)(=O)CC2CCC2)[C@H](O)[C@@H]1O	ZINC001193471338	1068915263	/nfs/dbraw/zinc/91/52/63/1068915263.db2.gz	OAKQPUPSGHNUGE-SDBHATRESA-N	-2	2	479.408	-0.903	20	0		JBADLL
O=P([O-])([O-])OC[C@H]1O[C@@H](n2cnc3c2ncnc3NS(=O)(=O)CC2CCC2)[C@@H](O)[C@@H]1O	ZINC001193478928	1068915699	/nfs/dbraw/zinc/91/56/99/1068915699.db2.gz	OAKQPUPSGHNUGE-ADGXKJENSA-N	-2	2	479.408	-0.903	20	0		JBADLL
O=C1CCC(S(=O)(=O)Nc2ncnc3c2ncn3[C@H]2C[C@H](O)[C@@H](COP(=O)([O-])[O-])O2)CC1	ZINC001194759853	1068925171	/nfs/dbraw/zinc/92/51/71/1068925171.db2.gz	REFVXHVGRJPFJB-YNEHKIRRSA-N	-2	2	491.419	-0.163	20	0		JBADLL
O=P([O-])([O-])OC[C@H]1O[C@@H](n2cnc3c2ncnc3NS(=O)(=O)Cc2cccnc2)C[C@@H]1O	ZINC001197421955	1068945060	/nfs/dbraw/zinc/94/50/60/1068945060.db2.gz	KGHGTZUBFUQJHH-YNEHKIRRSA-N	-2	2	486.403	-0.079	20	0		JBADLL
COC(=O)CCCS(=O)(=O)Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](COP(=O)([O-])[O-])O1	ZINC001201905157	1068970864	/nfs/dbraw/zinc/97/08/64/1068970864.db2.gz	HPWUBIKUTAWZHO-HBNTYKKESA-N	-2	2	495.407	-0.721	20	0		JBADLL
O=C(Nc1cc2c(cc(S(=O)(=O)[O-])cc2S(=O)(=O)[O-])cc1S(=O)(=O)[O-])C1(F)C[NH2+]C1	ZINC001218926797	1069530026	/nfs/dbraw/zinc/53/00/26/1069530026.db2.gz	PXXILWJHGCHYQC-UHFFFAOYSA-N	-2	2	484.461	-0.170	20	0		JBADLL
O=C(Nc1cc2c(cc(S(=O)(=O)[O-])cc2S(=O)(=O)[O-])cc1S(=O)(=O)[O-])[C@@H]1COCC[NH2+]1	ZINC001218926911	1069530634	/nfs/dbraw/zinc/53/06/34/1069530634.db2.gz	RYHOIVWBRVOLAG-LBPRGKRZSA-N	-2	2	496.497	-0.493	20	0		JBADLL
CS(=O)(=O)[N-]c1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO[P@](=O)([O-])O[P@](=O)([O-])O)O1	ZINC001252642551	1069685513	/nfs/dbraw/zinc/68/55/13/1069685513.db2.gz	CQRYMJKGZBOHSM-XLPZGREQSA-N	-3	2	489.296	-0.928	20	0		JBADLL
CS(=O)(=O)[N-]c1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO[P@](=O)([O-])O[P@@](=O)([O-])O)O1	ZINC001252642551	1069685508	/nfs/dbraw/zinc/68/55/08/1069685508.db2.gz	CQRYMJKGZBOHSM-XLPZGREQSA-N	-3	2	489.296	-0.928	20	0		JBADLL
CCCCS(=O)(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O	ZINC001253782072	1069693025	/nfs/dbraw/zinc/69/30/25/1069693025.db2.gz	MBEZPIXQZKBCMJ-IDTAVKCVSA-N	-2	2	467.397	-0.903	20	0		JBADLL
CCCCS(=O)(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@@H]1O	ZINC001253793319	1069693932	/nfs/dbraw/zinc/69/39/32/1069693932.db2.gz	MBEZPIXQZKBCMJ-GCDPNZCJSA-N	-2	2	467.397	-0.903	20	0		JBADLL
CC(C)CS(=O)(=O)Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](COP(=O)([O-])[O-])O1	ZINC001259878427	1069755655	/nfs/dbraw/zinc/75/56/55/1069755655.db2.gz	JJYHNWPXKJMJHS-HBNTYKKESA-N	-2	2	451.398	-0.018	20	0		JBADLL
O=P([O-])([O-])OC[C@H]1O[C@@H](n2cnc3c2ncnc3NS(=O)(=O)C2CCOCC2)C[C@@H]1O	ZINC001259908659	1069756188	/nfs/dbraw/zinc/75/61/88/1069756188.db2.gz	ZLIWYOFOTMTQJM-QJPTWQEYSA-N	-2	2	479.408	-0.495	20	0		JBADLL
CS(=O)(=O)CS(=O)(=O)Nc1cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])cc(O)c21	ZINC001260591959	1069771269	/nfs/dbraw/zinc/77/12/69/1069771269.db2.gz	VLJIQPYICWMYTG-UHFFFAOYSA-N	-2	2	475.500	-0.217	20	0		JBADLL