smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CNC(=O)C(C#N)=N[N-]c1[nH+]c[nH]c1C(=O)NC	ZINC000001414510	173210766	/nfs/dbraw/zinc/21/07/66/173210766.db2.gz	QCMASDHZURPZGY-PJQLUOCWSA-N	0	2	249.234	-1.193	50	30		BAEALN
NC(=S)NN=C1C(=O)NC(=O)NC1=O	ZINC000001695838	181318700	/nfs/dbraw/zinc/31/87/00/181318700.db2.gz	PJLFKLCBVAVTJK-UHFFFAOYSA-N	0	2	215.194	-2.458	50	30		BAEALN
N#Cc1c(N)[nH]c2nc(=O)[nH]c(=O)c-2c1C#N	ZINC000002170448	181076967	/nfs/dbraw/zinc/07/69/67/181076967.db2.gz	TYXQOPKFPGZANV-UHFFFAOYSA-N	0	2	228.171	-1.063	50	30		BAEALN
NC(=O)c1[nH]cnc1NN=C1C(=O)NN=C1N	ZINC000004478078	181312554	/nfs/dbraw/zinc/31/25/54/181312554.db2.gz	DLQPYUKCTZBXAD-UHFFFAOYSA-N	0	2	236.195	-1.481	50	30		BAEALN
NC(=O)c1[nH]cnc1N=NC1C(=O)NN=C1N	ZINC000004478078	181312552	/nfs/dbraw/zinc/31/25/52/181312552.db2.gz	DLQPYUKCTZBXAD-UHFFFAOYSA-N	0	2	236.195	-1.481	50	30		BAEALN
Cc1[nH][nH]c(=O)c1N=Nc1nc[nH]c1C(N)=O	ZINC000008572360	188050772	/nfs/dbraw/zinc/05/07/72/188050772.db2.gz	GYCVDRMAKALOOL-UHFFFAOYSA-N	0	2	235.207	-1.218	50	30		BAEALN
NC1=NNC(=O)C1=NNc1[nH]cnc1[N+](=O)[O-]	ZINC000008694803	181339534	/nfs/dbraw/zinc/33/95/34/181339534.db2.gz	VJHTUKKKRITAST-UHFFFAOYSA-N	0	2	238.167	-1.512	50	30		BAEALN
O=C1C2C(C(=O)N1O)C1C(=O)N(O)C(=O)C21	ZINC000096029531	188321584	/nfs/dbraw/zinc/32/15/84/188321584.db2.gz	HONIHRUONDEYHT-UHFFFAOYSA-N	0	2	226.144	-2.019	50	30		BAEALN
CON=Cc1c(O)n(C)c(=O)n(C)c1=O	ZINC000100324801	384319894	/nfs/dbraw/zinc/31/98/94/384319894.db2.gz	XZCVBBAUZNVDJZ-RUDMXATFSA-N	0	2	213.193	-1.230	50	30		BAEALN
CO/N=C/c1c(O)n(C)c(=O)n(C)c1=O	ZINC000100324801	384319886	/nfs/dbraw/zinc/31/98/86/384319886.db2.gz	XZCVBBAUZNVDJZ-RUDMXATFSA-N	0	2	213.193	-1.230	50	30		BAEALN
N#C[C@H](Cn1c(O)cc(=O)[nH]c1=S)C(N)=O	ZINC000138063862	368419833	/nfs/dbraw/zinc/41/98/33/368419833.db2.gz	PYYHQOGCNWVYMS-SCSAIBSYSA-N	0	2	240.244	-1.755	50	30		BAEALN
N#C[C@H](Cn1c(=O)cc(O)[nH]c1=S)C(N)=O	ZINC000138063862	368419828	/nfs/dbraw/zinc/41/98/28/368419828.db2.gz	PYYHQOGCNWVYMS-SCSAIBSYSA-N	0	2	240.244	-1.755	50	30		BAEALN
N#C[C@@H](Cn1c(O)cc(=O)[nH]c1=S)C(N)=O	ZINC000138063929	368420034	/nfs/dbraw/zinc/42/00/34/368420034.db2.gz	PYYHQOGCNWVYMS-BYPYZUCNSA-N	0	2	240.244	-1.755	50	30		BAEALN
N#C[C@@H](Cn1c(=O)cc(O)[nH]c1=S)C(N)=O	ZINC000138063929	368420029	/nfs/dbraw/zinc/42/00/29/368420029.db2.gz	PYYHQOGCNWVYMS-BYPYZUCNSA-N	0	2	240.244	-1.755	50	30		BAEALN