smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CO[C@H](C)[C@](O)(C(=O)OCC1=CCN2CC[C@H](O)[C@@H]12)C(C)(C)O	ZINC000006494315	201361502	/nfs/dbraw/zinc/36/15/02/201361502.db2.gz	ZNEMYFCJOCCUJN-HBCZOZSTSA-N	0	1	329.393	-0.558	1	0		EBAFMN
C[N@H+]1CCC[C@H](NC(=O)N2CC[C@@H]3[C@H]2C(=O)N3S(=O)(=O)[O-])CC1	ZINC000072112722	203162580	/nfs/dbraw/zinc/16/25/80/203162580.db2.gz	JOWGTMXDVNCZKJ-AXFHLTTASA-N	0	1	346.409	-0.732	1	0		EBAFMN
COC(=O)[C@@]1(O)c2c(oc3cccc(O)c3c2=O)C[C@H](OC)[C@H]1O	ZINC000015258135	560229770	/nfs/dbraw/zinc/22/97/70/560229770.db2.gz	DKCFLWCWQILBFZ-DRZCJDIDSA-N	0	1	336.296	-0.209	1	0	in-vitro	EBAFMN
CO[C@H](C)[C@](O)(C(=O)OCC1=CCN2CC[C@@H](O)[C@H]12)C(C)(C)O	ZINC000004916196	210321876	/nfs/dbraw/zinc/32/18/76/210321876.db2.gz	ZNEMYFCJOCCUJN-KBNOKHGBSA-N	0	1	329.393	-0.558	1	0		EBAFMN
CC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)[C@H]([NH3+])c3ccccc3)[C@@H]2OC1	ZINC000040526042	213335278	/nfs/dbraw/zinc/33/52/78/213335278.db2.gz	OSYPMVKMNCWIIC-HFAKWTLXSA-N	0	1	331.328	-0.272	1	0		EBAFMN
C[NH+](C)C[C@@H](Cn1cnc2c1ncnc2N)OC[P@](=O)([O-])O	ZINC000040476769	213312878	/nfs/dbraw/zinc/31/28/78/213312878.db2.gz	YLEYZLIGAVKNLJ-QMMMGPOBSA-N	0	1	330.285	-0.510	1	0		EBAFMN
O=C(C[C@@H]1C(=O)NCCN1CC1CCCCC1)N1CCNC(=O)C1	ZINC000012111846	211291385	/nfs/dbraw/zinc/29/13/85/211291385.db2.gz	CKICSNHKAHOEMQ-CQSZACIVSA-N	0	1	336.436	-0.284	1	0		EBAFMN
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)[O-])=C(C[N@@H+](C)CCC(N)=O)S[C@H]12	ZINC000003805112	210075629	/nfs/dbraw/zinc/07/56/29/210075629.db2.gz	GYTHCALECZGFOY-PUQNFTFYSA-N	0	1	329.378	-0.998	1	0		EBAFMN
[NH3+][C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=COC[C@H]12)c1ccc(O)cc1	ZINC000028223165	518197667	/nfs/dbraw/zinc/19/76/67/518197667.db2.gz	SNLISZIKEUXFCI-JLLWLGSASA-N	0	1	333.300	-0.956	1	0		EBAFMN
CO[C@@H](C)[C@@](O)(C(=O)OCC1=CCN2CC[C@@H](O)[C@H]12)C(C)(C)O	ZINC000004916183	210322630	/nfs/dbraw/zinc/32/26/30/210322630.db2.gz	ZNEMYFCJOCCUJN-YPHNTLSLSA-N	0	1	329.393	-0.558	1	0		EBAFMN
CC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)[C@@H]([NH3+])c3ccccc3)[C@@H]2OC1	ZINC000028008444	212595065	/nfs/dbraw/zinc/59/50/65/212595065.db2.gz	OSYPMVKMNCWIIC-PGUXBMHVSA-N	0	1	331.328	-0.272	1	0		EBAFMN
C[NH+](C)C[C@H](Cn1cnc2c1ncnc2N)OC[P@](=O)([O-])O	ZINC000040476770	213312588	/nfs/dbraw/zinc/31/25/88/213312588.db2.gz	YLEYZLIGAVKNLJ-MRVPVSSYSA-N	0	1	330.285	-0.510	1	0		EBAFMN
[NH3+][C@H](C(=O)N1CC[C@@H]2[C@H]1C(=O)N2S(=O)(=O)[O-])c1ccc(O)cc1	ZINC000027323669	212553807	/nfs/dbraw/zinc/55/38/07/212553807.db2.gz	NQTZUGXGGNMKFH-VWYCJHECSA-N	0	1	341.345	-0.994	1	0		EBAFMN
CC(=O)N[C@H]1[C@H](N2CCCCC[C@@H]2CO)C=C(C(=O)[O-])C[C@@H]1[NH3+]	ZINC000014944958	581098603	/nfs/dbraw/zinc/09/86/03/581098603.db2.gz	IIIHFJUFPWPHFQ-LXTVHRRPSA-N	0	1	325.409	-0.161	1	0		EBAFMN