smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1[n-]c(=O)n([C@@H]2CO[C@H](CO)[C@H]2CO)cc1I	ZINC000003784789	204110908	/nfs/dbraw/zinc/11/09/08/204110908.db2.gz	LUPGBLWVCWEVAN-UIISKDMLSA-N	-1	3	368.127	-1.318	1	0		FAAFHM
O=c1[n-]c(=O)n([C@@H]2CO[C@H](CO)[C@@H](O)C2)cc1I	ZINC000003805724	204110680	/nfs/dbraw/zinc/11/06/80/204110680.db2.gz	PJDQVZSBWDEYOF-APQOSEDMSA-N	-1	3	368.127	-1.176	1	0	in-vitro	FAAFHM
CSC[S@@](=O)C[C@@H](CO)NC(=O)C=Cc1c(C)[nH]c(=O)[n-]c1=O	ZINC000004214329	560197452	/nfs/dbraw/zinc/19/74/52/560197452.db2.gz	XKLZIVIOZDNKEQ-IXBCGMGTSA-N	-1	3	361.445	-1.069	1	0	in-vitro	FAAFHM
O=c1[n-]c(=O)n([C@H]2CO[C@@H](CO)[C@@H](O)C2)cc1I	ZINC000006505190	204250262	/nfs/dbraw/zinc/25/02/62/204250262.db2.gz	PJDQVZSBWDEYOF-DTLFHODZSA-N	-1	3	368.127	-1.176	1	0		FAAFHM
O=C([O-])CN1CCN2CCOCCN(CC1)CC[NH+](CC(=O)[O-])CC2	ZINC000022026460	220373857	/nfs/dbraw/zinc/37/38/57/220373857.db2.gz	QCPIANIXKSUROF-UHFFFAOYSA-N	-1	3	358.439	-1.593	1	0		FAAFHM
N[C@@H](CC(=O)[O-])C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000026189333	207910940	/nfs/dbraw/zinc/91/09/40/207910940.db2.gz	NZWDWXSWUQCNMG-DCAQKATOSA-N	-1	3	358.395	-1.522	1	0		FAAFHM
O=c1[n-]c(=O)n([C@@H]2C[C@H](CO)[C@@H](O)[C@@H]2O)cc1I	ZINC000029334757	220601458	/nfs/dbraw/zinc/60/14/58/220601458.db2.gz	RDPHRZPSVMEFPE-XVFCMESISA-N	-1	3	368.127	-1.584	1	0		FAAFHM
N[C@@H](Cn1ccc(=O)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1)C(=O)[O-]	ZINC000033832814	291020612	/nfs/dbraw/zinc/02/06/12/291020612.db2.gz	YPZZVPSBAOOJGU-OSISFBQUSA-N	-1	3	360.319	-3.561	1	0	biogenic,in-vitro	FAAFHM
CC(C)(CON)C(=O)OC[C@H]1O[C@@H](n2cc(F)c(=O)[n-]c2=O)C[C@@H]1O	ZINC000040934974	205085358	/nfs/dbraw/zinc/08/53/58/205085358.db2.gz	HHVYUJFDXMCZRV-IVZWLZJFSA-N	-1	3	361.326	-1.216	1	0		FAAFHM
Nc1ncnc2c1c1c(nc[n-]c1=S)n2[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O	ZINC000048998811	205167003	/nfs/dbraw/zinc/16/70/03/205167003.db2.gz	HSCXLSFQVPWZCH-ZDQQJBFNSA-N	-1	3	350.360	-1.143	1	0		FAAFHM
Nc1ncnc2c1c1c(nc[n-]c1=S)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	ZINC000048998813	205167236	/nfs/dbraw/zinc/16/72/36/205167236.db2.gz	HSCXLSFQVPWZCH-ODDSTHBYSA-N	-1	3	350.360	-1.143	1	0		FAAFHM
Nc1ncnc2c1c1c([n-]c(=S)[nH]c1=O)n2[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O	ZINC000049000201	205167449	/nfs/dbraw/zinc/16/74/49/205167449.db2.gz	RQLJWVFGMWLLHU-QBDRUXMMSA-N	-1	3	366.359	-1.064	1	0		FAAFHM
CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)N)[C@@H](C)O)C(=O)[O-]	ZINC000066114399	205364354	/nfs/dbraw/zinc/36/43/54/205364354.db2.gz	BKXWOKWUYWQWND-HHKYUTTNSA-N	-1	3	360.411	-2.071	1	0		FAAFHM
CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1n1cc(F)c(=O)[n-]c1=O	ZINC000066252313	221242876	/nfs/dbraw/zinc/24/28/76/221242876.db2.gz	GWIOCCHOCBYBBK-DKIAZLNASA-N	-1	3	361.326	-1.492	1	0		FAAFHM
CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1n1cc(F)c(=O)[n-]c1=O	ZINC000066252558	221242457	/nfs/dbraw/zinc/24/24/57/221242457.db2.gz	GWIOCCHOCBYBBK-YSSBGUOXSA-N	-1	3	361.326	-1.492	1	0		FAAFHM
CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@H](O)[C@H]1n1cc(F)c(=O)[n-]c1=O	ZINC000066259352	205365566	/nfs/dbraw/zinc/36/55/66/205365566.db2.gz	GWIOCCHOCBYBBK-REIXXSIJSA-N	-1	3	361.326	-1.492	1	0		FAAFHM
CC(=O)NCCC[C@H](N)C(=O)N[C@H](C(=O)[O-])[C@H](O)[C@H]1CN2C(=O)C[C@H]2O1	ZINC000071758619	210213970	/nfs/dbraw/zinc/21/39/70/210213970.db2.gz	LSRMHWSOHWFVGB-NELYUFSOSA-N	-1	3	372.378	-2.883	1	0	in-vitro	FAAFHM
N[C@@H](Cn1ccc(=O)c(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1)C(=O)[O-]	ZINC000095913728	291020635	/nfs/dbraw/zinc/02/06/35/291020635.db2.gz	YPZZVPSBAOOJGU-BIQJUPPZSA-N	-1	3	360.319	-3.561	1	0	biogenic,in-vitro	FAAFHM
O=c1[n-]c(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2F)cc1[125I]	ZINC000101646639	222279728	/nfs/dbraw/zinc/27/97/28/222279728.db2.gz	IPVFGAYTKQKGBM-UNLWNXHHSA-N	-1	3	370.091	-1.270	1	0		FAAFHM
CC(=O)NCCC(=O)Nc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[n-]c1=O	ZINC000169314823	206251017	/nfs/dbraw/zinc/25/10/17/206251017.db2.gz	DTIOLKZLZXNZCX-HOSYDEDBSA-N	-1	3	356.335	-2.358	1	0		FAAFHM
NC(=O)[C@H]1O[C@@H](n2cc(I)c(=O)[n-]c2=O)C[C@@H]1O	ZINC000169317478	206250236	/nfs/dbraw/zinc/25/02/36/206250236.db2.gz	BHIYFGASPRPVOS-JKUQZMGJSA-N	-1	3	367.099	-1.313	1	0		FAAFHM
CCO[P@@](=O)([O-])OC[C@H]1O[C@@H](C2=NNC(C(N)=O)C2=O)[C@H](O)[C@@H]1O	ZINC000169329034	206251776	/nfs/dbraw/zinc/25/17/76/206251776.db2.gz	YKOGBOZAUNZKJY-KDHVDLPUSA-N	-1	3	367.251	-2.989	1	0		FAAFHM
Nc1ncnc2c1ncn2[C@@H]1O[C@H](C[C@H](C[NH3+])P(=O)([O-])[O-])[C@@H](O)[C@H]1O	ZINC000169339545	206251996	/nfs/dbraw/zinc/25/19/96/206251996.db2.gz	AKGJWRIYHOUJFK-VQPBACBFSA-N	-1	3	374.294	-2.077	1	0		FAAFHM
Nc1ncnc2c1ncn2[C@@H]1O[C@H](C[C@@H](C[NH3+])P(=O)([O-])[O-])[C@@H](O)[C@H]1O	ZINC000169339547	206251440	/nfs/dbraw/zinc/25/14/40/206251440.db2.gz	AKGJWRIYHOUJFK-MACXSXHHSA-N	-1	3	374.294	-2.077	1	0		FAAFHM