smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])COc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(C(F)(F)[P@@](=O)([O-])O)cc2)cc1C(F)(F)F	ZINC000028527948	561932618	/nfs/dbraw/zinc/93/26/18/561932618.db2.gz	PSOLNEHPQOHIIB-UHFFFAOYSA-N	-2	2	609.462	4.787	1	0		KJAFLL
O=C([O-])COc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(C(F)(F)[P@](=O)([O-])O)cc2)cc1C(F)(F)F	ZINC000028527948	561932617	/nfs/dbraw/zinc/93/26/17/561932617.db2.gz	PSOLNEHPQOHIIB-UHFFFAOYSA-N	-2	2	609.462	4.787	1	0		KJAFLL
O=C([O-])COc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(C(F)(F)[P@@](=O)([O-])O)cc2)cc1OC(F)(F)F	ZINC000028527950	561932675	/nfs/dbraw/zinc/93/26/75/561932675.db2.gz	QDJRZWOHRAFBEQ-UHFFFAOYSA-N	-2	2	625.461	4.667	1	0		KJAFLL
O=C([O-])COc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(C(F)(F)[P@](=O)([O-])O)cc2)cc1OC(F)(F)F	ZINC000028527950	561932674	/nfs/dbraw/zinc/93/26/74/561932674.db2.gz	QDJRZWOHRAFBEQ-UHFFFAOYSA-N	-2	2	625.461	4.667	1	0		KJAFLL
O=C([O-])COc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(C(F)(F)[P@@](=O)([O-])O)cc2)cc1Br	ZINC000028528315	561932912	/nfs/dbraw/zinc/93/29/12/561932912.db2.gz	JYLBOSQILQEHKP-UHFFFAOYSA-N	-2	2	620.361	4.531	1	0		KJAFLL
O=C([O-])COc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(C(F)(F)[P@](=O)([O-])O)cc2)cc1Br	ZINC000028528315	561932910	/nfs/dbraw/zinc/93/29/10/561932910.db2.gz	JYLBOSQILQEHKP-UHFFFAOYSA-N	-2	2	620.361	4.531	1	0		KJAFLL
O=C([O-])COc1ccc(C(=O)N(Cc2ccc(-c3csnn3)cc2)Cc2ccc(C(F)(F)[P@@](=O)([O-])O)cc2)cc1	ZINC000028528644	561933284	/nfs/dbraw/zinc/93/32/84/561933284.db2.gz	GMALMXCDHHXTFM-UHFFFAOYSA-N	-2	2	589.513	4.738	1	0		KJAFLL
O=C([O-])COc1ccc(C(=O)N(Cc2ccc(-c3csnn3)cc2)Cc2ccc(C(F)(F)[P@](=O)([O-])O)cc2)cc1	ZINC000028528644	561933283	/nfs/dbraw/zinc/93/32/83/561933283.db2.gz	GMALMXCDHHXTFM-UHFFFAOYSA-N	-2	2	589.513	4.738	1	0		KJAFLL
CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](Cc1ccc(O[P@](=O)([O-])O)cc1)NC(=O)OCc1ccccc1	ZINC000029545459	562029779	/nfs/dbraw/zinc/02/97/79/562029779.db2.gz	FWMSTBUDPFJMSU-NSOVKSMOSA-N	-2	2	663.705	4.554	1	0		KJAFLL
CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)NC(=O)OCc1ccccc1	ZINC000029545459	562029777	/nfs/dbraw/zinc/02/97/77/562029777.db2.gz	FWMSTBUDPFJMSU-NSOVKSMOSA-N	-2	2	663.705	4.554	1	0		KJAFLL
CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](Cc1ccc(O[P@](=O)([O-])O)cc1)NC(=O)CSc1ccccc1	ZINC000029548297	562030299	/nfs/dbraw/zinc/03/02/99/562030299.db2.gz	WIPSDCOIFWANMR-NSOVKSMOSA-N	-2	2	679.773	4.536	1	0		KJAFLL
CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)NC(=O)CSc1ccccc1	ZINC000029548297	562030297	/nfs/dbraw/zinc/03/02/97/562030297.db2.gz	WIPSDCOIFWANMR-NSOVKSMOSA-N	-2	2	679.773	4.536	1	0		KJAFLL
CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](Cc1ccc(O[P@](=O)([O-])O)cc1)NC(=O)CCCc1ccccc1	ZINC000029552786	562031400	/nfs/dbraw/zinc/03/14/00/562031400.db2.gz	XUHWPEWGSVPTIG-KYJUHHDHSA-N	-2	2	675.760	4.767	1	0		KJAFLL
CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)NC(=O)CCCc1ccccc1	ZINC000029552786	562031398	/nfs/dbraw/zinc/03/13/98/562031398.db2.gz	XUHWPEWGSVPTIG-KYJUHHDHSA-N	-2	2	675.760	4.767	1	0		KJAFLL
CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](Cc1ccc(O[P@](=O)([O-])O)cc1)NC(=O)CSCc1ccccc1	ZINC000029558752	562032662	/nfs/dbraw/zinc/03/26/62/562032662.db2.gz	ZGZLHAPZPJVVRQ-VMPREFPWSA-N	-2	2	693.800	4.677	1	0		KJAFLL
CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)NC(=O)CSCc1ccccc1	ZINC000029558752	562032661	/nfs/dbraw/zinc/03/26/61/562032661.db2.gz	ZGZLHAPZPJVVRQ-VMPREFPWSA-N	-2	2	693.800	4.677	1	0		KJAFLL
CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](Cc1ccc(O[P@](=O)([O-])O)cc1)NC(=O)c1ccc(Cl)cc1	ZINC000029562997	562033695	/nfs/dbraw/zinc/03/36/95/562033695.db2.gz	SESMEVJQWXIZIC-SVBPBHIXSA-N	-2	2	668.124	4.711	1	0		KJAFLL
CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)NC(=O)c1ccc(Cl)cc1	ZINC000029562997	562033693	/nfs/dbraw/zinc/03/36/93/562033693.db2.gz	SESMEVJQWXIZIC-SVBPBHIXSA-N	-2	2	668.124	4.711	1	0		KJAFLL
O=C([O-])COc1ccc(S(=O)(=O)N(Cc2ccc(-c3csnn3)cc2)Cc2ccc3cc(F)c(C(F)(F)[P@@](=O)([O-])O)cc3n2)cc1	ZINC000082164789	562741257	/nfs/dbraw/zinc/74/12/57/562741257.db2.gz	ARNPBLSVPATIMI-UHFFFAOYSA-N	-2	2	694.606	4.974	1	0		KJAFLL
O=C([O-])COc1ccc(S(=O)(=O)N(Cc2ccc(-c3csnn3)cc2)Cc2ccc3cc(F)c(C(F)(F)[P@](=O)([O-])O)cc3n2)cc1	ZINC000082164789	562741256	/nfs/dbraw/zinc/74/12/56/562741256.db2.gz	ARNPBLSVPATIMI-UHFFFAOYSA-N	-2	2	694.606	4.974	1	0		KJAFLL
O=C(CCCCCCCCC(=O)Nc1ccc(S(=O)(=O)[O-])c2cccc(S(=O)(=O)[O-])c12)Nc1ccc(S(=O)(=O)[O-])c2cccc(S(=O)(=O)[O-])c12	ZINC000095548023	562759051	/nfs/dbraw/zinc/75/90/51/562759051.db2.gz	UCZWGNDXUDFDTJ-UHFFFAOYSA-N	-4	2	772.854	4.678	1	0		KJAFLL
CC(C)C[C@H](C[P@](=O)([O-])[C@@H](Cc1ccccc1)NC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NS(C)(=O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-]	ZINC000095548606	562759331	/nfs/dbraw/zinc/75/93/31/562759331.db2.gz	VRMVKXFHQJRMNG-CKIYRECASA-N	-2	2	839.949	4.912	1	0		KJAFLL
CCOC(=O)CCCCCCN1C(=O)CC[C@@H]1/C=C/[C@@H](OC(=O)Cc1ccc(OC(=O)NCCCC(O)(P(=O)([O-])O)[P@](=O)([O-])O)cc1)C(F)(F)c1ccccc1	ZINC000095550289	562760113	/nfs/dbraw/zinc/76/01/13/562760113.db2.gz	WYWQBLCVTUMKDX-BLJIUWGASA-N	-2	2	832.724	4.864	1	0		KJAFLL
CCOC(=O)CCCCCCN1C(=O)CC[C@@H]1/C=C/[C@@H](OC(=O)Cc1ccc(OC(=O)NCCCC(O)(P(=O)([O-])O)[P@@](=O)([O-])O)cc1)C(F)(F)c1ccccc1	ZINC000095550289	562760112	/nfs/dbraw/zinc/76/01/12/562760112.db2.gz	WYWQBLCVTUMKDX-BLJIUWGASA-N	-2	2	832.724	4.864	1	0		KJAFLL
CCCCc1[nH+]cc(C=C2C(=O)NC(=O)N2CCCC)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1	ZINC000100715786	562807251	/nfs/dbraw/zinc/80/72/51/562807251.db2.gz	XEKDNMWGRDRXRS-UQQQWYQISA-N	-2	2	524.629	4.814	1	0		KJAFLL
CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)[O-])C(=O)[O-])[C@@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@@H](O)[C@@H](C)[n+]1cccc(O)c1)OC(=O)C[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000150352396	574049031	/nfs/dbraw/zinc/04/90/31/574049031.db2.gz	UJUDXXXTXOWVKA-JQWGNAGOSA-O	-3	2	784.917	4.501	1	0	endogenous,in-man	KJAFLL
CCCC[C@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)[O-])C(=O)[O-])[C@@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@@H](O)[C@@H](C)[n+]1cccc(O)c1)OC(=O)C[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000150352398	574049033	/nfs/dbraw/zinc/04/90/33/574049033.db2.gz	UJUDXXXTXOWVKA-YIQXCZFPSA-O	-3	2	784.917	4.501	1	0	endogenous,in-man	KJAFLL
CCCC[C@@H](C)[C@H](OC(=O)C[C@@H](CC(=O)[O-])C(=O)[O-])[C@@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@@H](O)[C@@H](C)[n+]1cccc(O)c1)OC(=O)C[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000150352399	574049037	/nfs/dbraw/zinc/04/90/37/574049037.db2.gz	UJUDXXXTXOWVKA-IWZDEALSSA-O	-3	2	784.917	4.501	1	0	endogenous,in-man	KJAFLL
CCCC[C@H](C)[C@H](OC(=O)C[C@@H](CC(=O)[O-])C(=O)[O-])[C@@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@@H](O)[C@@H](C)[n+]1cccc(O)c1)OC(=O)C[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000150352401	574049039	/nfs/dbraw/zinc/04/90/39/574049039.db2.gz	UJUDXXXTXOWVKA-OYCVGXMNSA-O	-3	2	784.917	4.501	1	0	endogenous,in-man	KJAFLL
CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)[O-])C(=O)[O-])[C@@H](C[C@@H](C)C[C@@H](O)CCCCCC[C@@H](O)[C@@H](C)[n+]1cccc(O)c1)OC(=O)C[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000150352403	574049041	/nfs/dbraw/zinc/04/90/41/574049041.db2.gz	SJFPAYWMTYRRGT-LNXLTVEYSA-O	-3	2	784.917	4.501	1	0	endogenous,in-man	KJAFLL
CCCC[C@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)[O-])C(=O)[O-])[C@@H](C[C@@H](C)C[C@@H](O)CCCCCC[C@@H](O)[C@@H](C)[n+]1cccc(O)c1)OC(=O)C[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000150352405	574049029	/nfs/dbraw/zinc/04/90/29/574049029.db2.gz	SJFPAYWMTYRRGT-GCWQOKSBSA-O	-3	2	784.917	4.501	1	0	endogenous,in-man	KJAFLL
CCCC[C@@H](C)[C@H](OC(=O)C[C@@H](CC(=O)[O-])C(=O)[O-])[C@@H](C[C@@H](C)C[C@@H](O)CCCCCC[C@@H](O)[C@@H](C)[n+]1cccc(O)c1)OC(=O)C[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000150352406	574049035	/nfs/dbraw/zinc/04/90/35/574049035.db2.gz	SJFPAYWMTYRRGT-TYQSTJJOSA-O	-3	2	784.917	4.501	1	0	endogenous,in-man	KJAFLL
CCCC[C@H](C)[C@H](OC(=O)C[C@@H](CC(=O)[O-])C(=O)[O-])[C@@H](C[C@@H](C)C[C@@H](O)CCCCCC[C@@H](O)[C@@H](C)[n+]1cccc(O)c1)OC(=O)C[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000150352408	574049043	/nfs/dbraw/zinc/04/90/43/574049043.db2.gz	SJFPAYWMTYRRGT-BJEGIXHVSA-O	-3	2	784.917	4.501	1	0	endogenous,in-man	KJAFLL
O=C([O-])c1ccc(CO[C@H](COCc2ccccc2)[C@H](O)[C@H](O)[C@H](COCc2ccccc2)OCc2ccc(C(=O)[O-])cc2)cc1	ZINC000169314256	562855696	/nfs/dbraw/zinc/85/56/96/562855696.db2.gz	ILKMSPMPYBCBOV-XDPXVBSOSA-N	-2	2	630.690	4.709	1	0		KJAFLL
O=C([O-])Cn1cc(-c2ccc(C(=O)c3cc(Cl)c(Cl)n3-c3c(Cl)c(Cl)[nH]c3C(=O)c3ccc(-c4cn(CC(=O)[O-])nn4)cc3O)c(O)c2)nn1	ZINC000299868464	562895149	/nfs/dbraw/zinc/89/51/49/562895149.db2.gz	RKPBRCVGUTYCEO-UHFFFAOYSA-N	-2	2	760.334	4.978	1	0		KJAFLL