smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCn1nc(C(=O)N2CCN(C)CC2)c2c1CC[C@@H]([NH2+]Cc1c(F)ccc(C)c1F)C2	ZINC000091998191	519286358	/nfs/dbraw/zinc/28/63/58/519286358.db2.gz	VYPKYENYPYMXER-QGZVFWFLSA-N	1	0	443.542	2.690	10	30		IFEERO
CCOC(=O)C1=C(C)N=C([n+]2nc(-c3ccc(OC)cc3)nn2-c2ccc(C#N)cc2)C1	ZINC000252499904	569288000	/nfs/dbraw/zinc/28/80/00/569288000.db2.gz	SIKZCBXZZRROEP-UHFFFAOYSA-N	1	0	429.460	2.589	10	30		IFEERO
C=CCn1nc(C(=O)N2CCN(C)CC2)c2c1CC[C@H]([NH2+]Cc1c(F)ccc(C)c1F)C2	ZINC000091998192	519289404	/nfs/dbraw/zinc/28/94/04/519289404.db2.gz	VYPKYENYPYMXER-KRWDZBQOSA-N	1	0	443.542	2.690	10	30		IFEERO
Cc1cc([N+](=O)[O-])nn1CC(=O)ONC(=[NH2+])c1ccc(OCc2ccccc2F)cc1	ZINC000020353698	525578211	/nfs/dbraw/zinc/57/82/11/525578211.db2.gz	AXKNBFUDOIGMGN-UHFFFAOYSA-N	1	0	427.392	2.682	10	30		IFEERO
COc1cccc(S(=O)(=O)N2CC[C@]3(C2)Nc2cccnc2[NH+]=C3NC(C)(C)C)c1	ZINC000096310095	526244117	/nfs/dbraw/zinc/24/41/17/526244117.db2.gz	UMXCYZNDKFJPAM-OAQYLSRUSA-N	1	0	429.546	2.958	10	30		IFEERO
O=C1Nc2ccc(Cl)cc2C(c2ccccc2Cl)=N[C@@H]1[N+]1(CCO)CCOCC1	ZINC000031351147	717119696	/nfs/dbraw/zinc/11/96/96/717119696.db2.gz	YBQRMYZVKZONHM-HXUWFJFHSA-O	1	0	435.331	2.948	10	30		IFEERO
S=C(NCCc1ccccc1)N/N=C1\C2CN3CC1(Cc1ccccc1)C[N@H+](C2)CC3	ZINC000020522224	526383486	/nfs/dbraw/zinc/38/34/86/526383486.db2.gz	XXIWXQDVCLYAQC-SLEBQGDGSA-N	1	0	433.625	2.539	10	30		IFEERO
C=CCc1ccc(OCC(=O)NCCCNC(=O)[C@H]2CC(C)(C)[NH2+]C2(C)C)c(OC)c1	ZINC000040791342	563106768	/nfs/dbraw/zinc/10/67/68/563106768.db2.gz	XBXRACPNSPQXPL-GOSISDBHSA-N	1	0	431.577	2.592	10	30		IFEERO
C=CCc1ccc(OCC(=O)NCCCNC(=O)[C@@H]2CC(C)(C)[NH2+]C2(C)C)c(OC)c1	ZINC000040791343	563106803	/nfs/dbraw/zinc/10/68/03/563106803.db2.gz	XBXRACPNSPQXPL-SFHVURJKSA-N	1	0	431.577	2.592	10	30		IFEERO
O=C1Nc2ccc(Cl)cc2C(c2ccccc2Cl)=N[C@H]1[N+]1(CCO)CCOCC1	ZINC000031351144	717119794	/nfs/dbraw/zinc/11/97/94/717119794.db2.gz	YBQRMYZVKZONHM-FQEVSTJZSA-O	1	0	435.331	2.948	10	30		IFEERO