smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N=C(N)NN=Cc1cccc(C(=N)NO)n1	ZINC000013861133	181200210	/nfs/dbraw/zinc/20/02/10/181200210.db2.gz	CXJJSSUOTUBMDL-UUILKARUSA-N	0	3	221.224	-1.007	1	30		BAEFHN
N=NC(N)NN=Cc1cccc(C(=N)N)n1	ZINC000013861134	181199417	/nfs/dbraw/zinc/19/94/17/181199417.db2.gz	LCIMLTPYCJMYNE-YIXHJXPBSA-N	0	3	220.240	-1.313	1	30		BAEFHN
N=C(N)NN=Cc1cccc(C(=N)NN)n1	ZINC000013861135	181200223	/nfs/dbraw/zinc/20/02/23/181200223.db2.gz	DFMYPXFRJYKZTA-YIXHJXPBSA-N	0	3	220.240	-1.522	1	30		BAEFHN
N[C@@H](CCCC[NH3+])C(=O)N[C@H](C=O)CC(=O)[O-]	ZINC000028461872	181378163	/nfs/dbraw/zinc/37/81/63/181378163.db2.gz	FCKTZCOVVQVDND-YUMQZZPRSA-N	0	3	245.279	-1.399	1	30		BAEFHN
N[C@@H](CS)C(=O)NCCCC[C@H]([NH3+])C(=O)[O-]	ZINC000050027937	574415190	/nfs/dbraw/zinc/41/51/90/574415190.db2.gz	ZPLTXTROMWYDIX-BQBZGAKWSA-N	0	3	249.336	-1.058	1	30	endogenous,in-vitro	BAEFHN
N[C@@H](CS)C(=O)NCCCC[C@@H]([NH3+])C(=O)[O-]	ZINC000050027938	574415173	/nfs/dbraw/zinc/41/51/73/574415173.db2.gz	ZPLTXTROMWYDIX-RQJHMYQMSA-N	0	3	249.336	-1.058	1	30	endogenous,in-vitro	BAEFHN
N[C@H](CS)C(=O)NCCCC[C@H]([NH3+])C(=O)[O-]	ZINC000050028009	574415263	/nfs/dbraw/zinc/41/52/63/574415263.db2.gz	ZPLTXTROMWYDIX-NKWVEPMBSA-N	0	3	249.336	-1.058	1	30	endogenous,in-vitro	BAEFHN
N[C@H](CS)C(=O)NCCCC[C@@H]([NH3+])C(=O)[O-]	ZINC000050028011	574415248	/nfs/dbraw/zinc/41/52/48/574415248.db2.gz	ZPLTXTROMWYDIX-RNFRBKRXSA-N	0	3	249.336	-1.058	1	30	endogenous,in-vitro	BAEFHN
[NH3+]CCCO/N=C/c1cc(=O)[n-]c(=O)[nH]1	ZINC000058468719	181382933	/nfs/dbraw/zinc/38/29/33/181382933.db2.gz	SFSUPOJXVWUHPD-BJMVGYQFSA-N	0	3	212.209	-1.238	1	30		BAEFHN
NCC(=O)NC(CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000069486902	574415900	/nfs/dbraw/zinc/41/59/00/574415900.db2.gz	CZKDZAKPJOOCQE-UHFFFAOYSA-N	0	3	231.256	-1.600	1	30	endogenous,in-vitro	BAEFHN
Cn1cc(O)c2c1=CC(=O)C(=NNC(=N)N)C=2	ZINC000084756668	180662486	/nfs/dbraw/zinc/66/24/86/180662486.db2.gz	CRTBPPNVAZCHAS-MLPAPPSSSA-N	0	3	233.231	-2.287	1	30	in-man	BAEFHN
C[C@@H](N)C(=O)NC(CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000100385750	574417259	/nfs/dbraw/zinc/41/72/59/574417259.db2.gz	JYFQKKIRSSTOGO-RXMQYKEDSA-N	0	3	245.283	-1.212	1	30	endogenous,in-vitro	BAEFHN
C[C@H](N)C(=O)NC(CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000100385754	574417267	/nfs/dbraw/zinc/41/72/67/574417267.db2.gz	JYFQKKIRSSTOGO-YFKPBYRVSA-N	0	3	245.283	-1.212	1	30	endogenous,in-vitro	BAEFHN
CC(NC(=O)[C@H](N)CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000100385874	574417302	/nfs/dbraw/zinc/41/73/02/574417302.db2.gz	KYJLCTQIDXPKAK-ZCFIWIBFSA-N	0	3	245.283	-1.212	1	30	endogenous,in-vitro	BAEFHN
CC(NC(=O)[C@@H](N)CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000100385876	574417312	/nfs/dbraw/zinc/41/73/12/574417312.db2.gz	KYJLCTQIDXPKAK-LURJTMIESA-N	0	3	245.283	-1.212	1	30	endogenous,in-vitro	BAEFHN
NC(=[NH2+])NCCC[C@@H](N)C(=O)NCC(=O)[O-]	ZINC000100385917	574417366	/nfs/dbraw/zinc/41/73/66/574417366.db2.gz	SCSZFXKNLTZCTN-RXMQYKEDSA-N	0	3	231.256	-1.602	1	30	endogenous,in-vitro	BAEFHN
NC(=[NH2+])NCCC[C@H](N)C(=O)NCC(=O)[O-]	ZINC000100385920	574417328	/nfs/dbraw/zinc/41/73/28/574417328.db2.gz	SCSZFXKNLTZCTN-YFKPBYRVSA-N	0	3	231.256	-1.602	1	30	endogenous,in-vitro	BAEFHN
C[N+](C)(C)CC(=O)c1c[nH]c(=O)[n-]c1=O	ZINC000169344005	717155914	/nfs/dbraw/zinc/15/59/14/717155914.db2.gz	LDHVHIWNKSYIDB-UHFFFAOYSA-O	0	3	212.229	-1.048	1	30		BAEFHN