smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CS(=O)(=O)C1(C(=O)Nc2nc(-c3nn[n-]n3)c(C#N)[n-]2)CC1	ZINC001570930160	948802260	/nfs/dbraw/zinc/80/22/60/948802260.db2.gz	FHYZWOYIQGMXCQ-UHFFFAOYSA-N	-2	1	322.310	-1.023	20	30		DAEDML
O=C([O-])C[C@H](C(=O)Oc1nccc(/C=N/[O-])n1)[C@@H](O)C(=O)[O-]	ZINC001226257325	780333128	/nfs/dbraw/zinc/33/31/28/780333128.db2.gz	ZFFBUXYKTAVWNL-SWJHBWKFSA-N	-3	1	313.222	-1.274	20	30		DAEDML
COCC(=O)N(C)CC(=O)Nc1nc(-c2nn[n-]n2)c(C#N)[n-]1	ZINC000826148000	608011619	/nfs/dbraw/zinc/01/16/19/608011619.db2.gz	UUJLKPLEHUQNQB-UHFFFAOYSA-N	-2	1	319.285	-1.495	20	30		DAEDML
O=C([O-])C[C@@H](C(=O)Oc1nccc(/C=N/[O-])n1)[C@H](O)C(=O)[O-]	ZINC001226257330	780332703	/nfs/dbraw/zinc/33/27/03/780332703.db2.gz	ZFFBUXYKTAVWNL-ZAGLXUDESA-N	-3	1	313.222	-1.274	20	30		DAEDML
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)CCn1cc[n-]c(=O)c1=O	ZINC000831082342	604081732	/nfs/dbraw/zinc/08/17/32/604081732.db2.gz	LCZPLQADHLWTCY-VIFPVBQESA-N	-2	1	321.293	-1.359	20	30		DAEDML
O=C(Oc1nccc(/C=N/[O-])n1)[C@H](O)COP(=O)([O-])[O-]	ZINC001226256093	780332395	/nfs/dbraw/zinc/33/23/95/780332395.db2.gz	OOUYDPHZCGMILW-ZQZRWKAKSA-N	-3	1	307.155	-1.340	20	30		DAEDML
C#CCN(CC(=O)[O-])C(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2	ZINC001602679293	971259352	/nfs/dbraw/zinc/25/93/52/971259352.db2.gz	MWYBVUQPQHOBGS-UHFFFAOYSA-N	-2	1	315.289	-1.173	20	30		DAEDML
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)CCn1cc[n-]c(=O)c1=O	ZINC000831082336	604081822	/nfs/dbraw/zinc/08/18/22/604081822.db2.gz	LCZPLQADHLWTCY-SECBINFHSA-N	-2	1	321.293	-1.359	20	30		DAEDML
N#Cc1[n-]c(NC(=O)CN2CCOCC2)nc1-c1nn[n-]n1	ZINC000826382764	663866186	/nfs/dbraw/zinc/86/61/86/663866186.db2.gz	TYZPVJIGEICPIJ-UHFFFAOYSA-N	-2	1	303.286	-1.268	20	30		DAEDML
O=C([O-])C[C@@H](C(=O)Oc1nccc(/C=N/[O-])n1)[C@@H](O)C(=O)[O-]	ZINC001226257316	780332002	/nfs/dbraw/zinc/33/20/02/780332002.db2.gz	ZFFBUXYKTAVWNL-HFORIIBBSA-N	-3	1	313.222	-1.274	20	30		DAEDML
O=C([O-])C[C@H](C(=O)Oc1nccc(/C=N/[O-])n1)[C@H](O)C(=O)[O-]	ZINC001226257320	780332579	/nfs/dbraw/zinc/33/25/79/780332579.db2.gz	ZFFBUXYKTAVWNL-QIOVTDOZSA-N	-3	1	313.222	-1.274	20	30		DAEDML
N#Cc1[n-]c(NC(=O)C2=CCS(=O)(=O)C2)nc1-c1nn[n-]n1	ZINC001570923393	948662395	/nfs/dbraw/zinc/66/23/95/948662395.db2.gz	ZBNWZSOAGHVEIS-UHFFFAOYSA-N	-2	1	320.294	-1.245	20	30		DAEDML
C#CC[C@@H]([N-]S(=O)(=O)N1CCC[C@H]1C(=O)[O-])C(=O)OC	ZINC001588388596	957996661	/nfs/dbraw/zinc/99/66/61/957996661.db2.gz	DFOXRCPUFCPOFY-BDAKNGLRSA-N	-2	1	304.324	-1.065	20	30		DAEDML
C#CC[C@H]([N-]S(=O)(=O)N1CCC[C@H]1C(=O)[O-])C(=O)OC	ZINC001588388602	957996802	/nfs/dbraw/zinc/99/68/02/957996802.db2.gz	DFOXRCPUFCPOFY-IUCAKERBSA-N	-2	1	304.324	-1.065	20	30		DAEDML
CCNc1nc([N-]N=C2C(=O)[N-]C(=O)NC2=O)nc(NCC)n1	ZINC000814213981	663850792	/nfs/dbraw/zinc/85/07/92/663850792.db2.gz	XUJDWMVWFPMZHP-UHFFFAOYSA-N	-2	1	321.301	-1.131	20	30		DAEDML