smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1c2nc(N3CCCCC3)n(CCNC3=[NH+]CCCCC3)c2c(=O)n(C)c1=O	ZINC000001446240	557266310	/nfs/dbraw/zinc/26/63/10/557266310.db2.gz	STFZBFRAPGZEQO-UHFFFAOYSA-N	1	0	401.515	0.986	50	30		HCEARO
C=CCn1c(=O)c2c(nc3n(CCC[NH+]4CCOCC4)c(C)c(C)n32)n(C)c1=O	ZINC000019201048	569007878	/nfs/dbraw/zinc/00/78/78/569007878.db2.gz	VVTQOCITFRSPAR-UHFFFAOYSA-N	1	0	400.483	0.675	50	30		HCEARO
C=C(C)Cn1c(=O)c2c(nc3n2cc(C)n3CCC[NH+]2CCOCC2)n(C)c1=O	ZINC000020061991	569018684	/nfs/dbraw/zinc/01/86/84/569018684.db2.gz	OGPZETDEDJFEKK-UHFFFAOYSA-N	1	0	400.483	0.756	50	30		HCEARO
Cc1cc(=O)n2c3ccccc3n(C[C@@H](O)C[NH+]3CCN(CCO)CC3)c2c1C#N	ZINC000020479240	568612268	/nfs/dbraw/zinc/61/22/68/568612268.db2.gz	FDVXQGRVLSTUHT-KRWDZBQOSA-N	1	0	409.490	0.405	50	30		HCEARO
Cc1cc(=O)n2c3ccccc3n(C[C@H](O)C[NH+]3CCN(CCO)CC3)c2c1C#N	ZINC000020479243	568612483	/nfs/dbraw/zinc/61/24/83/568612483.db2.gz	FDVXQGRVLSTUHT-QGZVFWFLSA-N	1	0	409.490	0.405	50	30		HCEARO
COc1ccc([C@@H](O)[C@@H](N[NH+]=C(N)N)c2nc3ccc([N+](=O)[O-])cc3[nH]c2=O)cc1	ZINC000025585147	525208334	/nfs/dbraw/zinc/20/83/34/525208334.db2.gz	PDLMBQBQNCUTNU-GOEBONIOSA-N	1	0	413.394	0.393	50	30		HCEARO
COc1ccc([C@H](O)[C@@H](N[NH+]=C(N)N)c2nc3ccc([N+](=O)[O-])cc3[nH]c2=O)cc1	ZINC000025585153	525378649	/nfs/dbraw/zinc/37/86/49/525378649.db2.gz	PDLMBQBQNCUTNU-HOCLYGCPSA-N	1	0	413.394	0.393	50	30		HCEARO
N#Cc1ccc(C(=O)N(CCCN2CCOCC2)CCC(=O)N2CC[NH2+]CC2)cc1	ZINC000035421579	569036257	/nfs/dbraw/zinc/03/62/57/569036257.db2.gz	WPJOBWJREFXKCK-UHFFFAOYSA-N	1	0	413.522	0.545	50	30		HCEARO
COc1cc(NC(=O)CONC(N)=C2C(=[NH2+])C3(CCCC3)N(C)C2=O)cc(OC)c1	ZINC000040155640	522661222	/nfs/dbraw/zinc/66/12/22/522661222.db2.gz	MLYFYMJGLHLYEI-UHFFFAOYSA-N	1	0	417.466	0.929	50	30		HCEARO
CC[N@@H+]1CCC[C@@H]1CN1CNC(=NS(=O)(=O)c2ccc(OC)c(OC)c2)NC1	ZINC000040387073	521632958	/nfs/dbraw/zinc/63/29/58/521632958.db2.gz	BNJRXKDCTKUFTK-CQSZACIVSA-N	1	0	411.528	0.643	50	30		HCEARO
CC[N@@H+]1CCC[C@H]1CN1CNC(=NS(=O)(=O)c2ccc(OC)c(OC)c2)NC1	ZINC000040387075	521653045	/nfs/dbraw/zinc/65/30/45/521653045.db2.gz	BNJRXKDCTKUFTK-AWEZNQCLSA-N	1	0	411.528	0.643	50	30		HCEARO
N#Cc1ccc(C(=O)N(CCCN2CCCC2=O)CCC(=O)N2CC[NH2+]CC2)cc1	ZINC000045966549	526589224	/nfs/dbraw/zinc/58/92/24/526589224.db2.gz	IFLWEDFFRWPFDA-UHFFFAOYSA-N	1	0	411.506	0.835	50	30		HCEARO
C=C(C)CN1CCN(C(=O)Cn2c(=O)nc3n2C(=O)N(c2ccc(F)cc2)C3)CC1	ZINC000061717785	559292535	/nfs/dbraw/zinc/29/25/35/559292535.db2.gz	DKBBCXODOSVVLG-UHFFFAOYSA-N	1	0	414.441	0.893	50	30		HCEARO
COc1ccc(NC(=O)[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=O)C2=NNC(=N)N)cc1	ZINC000101920961	559148497	/nfs/dbraw/zinc/14/84/97/559148497.db2.gz	BWSNRKCIMYFWCK-ONMWIQTLSA-N	1	0	424.417	0.671	50	30		HCEARO
COc1ccc(NC(=O)[C@H]2C(=O)N(c3ccc(OC)cc3)C(=O)C2=NNC(=N)N)cc1	ZINC000101920968	559148487	/nfs/dbraw/zinc/14/84/87/559148487.db2.gz	BWSNRKCIMYFWCK-UBFADLBMSA-N	1	0	424.417	0.671	50	30		HCEARO
C=CCN1C(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CC[N@@H+](C)C[C@@H]32)C(=O)NC1=S	ZINC000169678480	569126029	/nfs/dbraw/zinc/12/60/29/569126029.db2.gz	LTTDPBPLIGUJHN-DNVCBOLYSA-N	1	0	415.475	0.687	50	30		HCEARO
C=CCN1C(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CC[N@@H+](C)C[C@@H]32)C(=O)NC1=S	ZINC000169678481	569126003	/nfs/dbraw/zinc/12/60/03/569126003.db2.gz	LTTDPBPLIGUJHN-BEFAXECRSA-N	1	0	415.475	0.687	50	30		HCEARO
Cn1c2nc(N3CC[NH+](Cc4ccccc4)CC3)n(CCC#N)c2c(=O)n(C)c1=O	ZINC000170624337	569249384	/nfs/dbraw/zinc/24/93/84/569249384.db2.gz	NGMBAWKGZKXYNF-UHFFFAOYSA-N	1	0	407.478	0.670	50	30		HCEARO