smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NCC(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000002047664	303219981	/nfs/dbraw/zinc/21/99/81/303219981.db2.gz	JYPCXBJRLBHWME-DTWKUNHWSA-N	0	1	328.373	-2.231	1	0		EAAFMN
COC1=NC(N[C@H]2OC[C@H](O)[C@@H](O)[C@@H]2O)=C(NC(C)=O)CN1C	ZINC000017222400	211961059	/nfs/dbraw/zinc/96/10/59/211961059.db2.gz	RMKNVDKMSJYFMY-WYFGTUCQSA-N	0	1	330.341	-2.732	1	0		EAAFMN
CN1CCN(C[C@H](O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CC1	ZINC000019358829	212020834	/nfs/dbraw/zinc/02/08/34/212020834.db2.gz	MWMKSXCUMWQCCR-NSHDSACASA-N	0	1	336.396	-1.958	1	0		EAAFMN
CN1CCN(C[C@@H](O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CC1	ZINC000019358831	212021032	/nfs/dbraw/zinc/02/10/32/212021032.db2.gz	MWMKSXCUMWQCCR-LLVKDONJSA-N	0	1	336.396	-1.958	1	0		EAAFMN
COc1nc2c(nc(N)n2[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c(=O)[nH]1	ZINC000031829729	202211228	/nfs/dbraw/zinc/21/12/28/202211228.db2.gz	XEVQFEHJYUJYFP-CKVFBBIQSA-N	0	1	343.296	-3.317	1	0		EAAFMN
O=c1[nH]c(=O)n([C@@H]2C[C@@H](O)[C@@H](CO)O2)nc1C=CBr	ZINC000040737716	213378305	/nfs/dbraw/zinc/37/83/05/213378305.db2.gz	RNFMAGOTQSXOBA-GMCWOFSTSA-N	0	1	334.126	-1.062	1	0		EAAFMN
C[C@H](NC(=O)[C@@H](N)CCCNC(N)=[NH2+])C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000072175430	216064810	/nfs/dbraw/zinc/06/48/10/216064810.db2.gz	DBKNLHKEVPZVQC-GUBZILKMSA-N	0	1	342.400	-1.843	1	0		EAAFMN
O=C(O[C@H]1C[C@H](n2cc(F)c(=O)[nH]c2=O)O[C@@H]1CO)[C@@H]1CCCN1	ZINC000072179417	216066525	/nfs/dbraw/zinc/06/65/25/216066525.db2.gz	IHPIALVXPHPONZ-UKKRHICBSA-N	0	1	343.311	-1.381	1	0		EAAFMN
[NH2+]=C1N[C@@H]2[C@H](COC(=O)NO)N(O)C(=[NH2+])N3CCC(O)(O)[C@@]23N1	ZINC000206507623	560041560	/nfs/dbraw/zinc/04/15/60/560041560.db2.gz	YBDAUZJLBCGWOB-LBACSGLVSA-N	0	1	331.289	-3.521	1	0	endogenous,in-man	EAAFMN
[NH2+]=C1N[C@@H]2[C@H](COC(=O)NO)N(O)C(=[NH2+])N3CCC(O)(O)[C@]23N1	ZINC000206507655	560041552	/nfs/dbraw/zinc/04/15/52/560041552.db2.gz	YBDAUZJLBCGWOB-LYAQYDMKSA-N	0	1	331.289	-3.521	1	0	endogenous,in-man	EAAFMN