smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)[N@@H+]1CCO[C@@H]2C[NH+](Cc3cccc(C#N)c3)CC[C@@H]2C1	ZINC000096249575	402074668	/nfs/dbraw/zinc/07/46/68/402074668.db2.gz	PFAVXWFVCSXAEN-RTBURBONSA-N	2	0	313.445	2.489	40	30		DEEBRP
Cc1ccc(C=C(C(=O)CC[NH+](C)C)C(=O)CC[NH+](C)C)cc1	ZINC000001579271	401708208	/nfs/dbraw/zinc/70/82/08/401708208.db2.gz	GAOZDPFJDCLUJI-UHFFFAOYSA-N	2	0	316.445	2.420	40	30		DEEBRP
CC1(C)CC(NC(=[NH2+])Nc2ccc([N+](=O)[O-])cn2)CC(C)(C)[NH2+]1	ZINC000225234956	402315964	/nfs/dbraw/zinc/31/59/64/402315964.db2.gz	NASQFJUPOGWHHN-UHFFFAOYSA-N	2	0	320.397	2.026	40	30		DEEBRP
Nc1ccc(NC2=CC(=[NH2+])C(Nc3ccc(N)cc3)=CC2=[NH2+])cc1	ZINC000100006058	402139306	/nfs/dbraw/zinc/13/93/06/402139306.db2.gz	KKJZEUXMWDXPAU-GJHDBBOXSA-N	2	0	318.384	2.395	40	30	in-vitro	DEEBRP
Nc1ccc(NC2=CC(=[NH2+])C(Nc3ccc(N)cc3)=CC2=[NH2+])cc1	ZINC000015020023	401815288	/nfs/dbraw/zinc/81/52/88/401815288.db2.gz	KKJZEUXMWDXPAU-QFFDILLMSA-N	2	0	318.384	2.395	40	30	in-vitro	DEEBRP
C[NH+](C)CCC(=O)C(=Cc1ccccc1)C(=O)CC[NH+](C)C	ZINC000001579203	180874969	/nfs/dbraw/zinc/87/49/69/180874969.db2.gz	RRDWRWCHMZJOFX-UHFFFAOYSA-N	2	0	302.418	2.112	40	30		DEEBRP
Nc1ccc(NC2=CC(=[NH2+])C(Nc3ccc(N)cc3)=CC2=[NH2+])cc1	ZINC000299888473	424892382	/nfs/dbraw/zinc/89/23/82/424892382.db2.gz	KKJZEUXMWDXPAU-UHFFFAOYSA-N	2	0	318.384	2.395	40	30		DEEBRP
C[NH+](C)CCC(=O)C(=Cc1cccs1)C(=O)CC[NH+](C)C	ZINC000001585819	401708668	/nfs/dbraw/zinc/70/86/68/401708668.db2.gz	OOJWRVFYQRGXTH-UHFFFAOYSA-N	2	0	308.447	2.173	40	30		DEEBRP
C=CC[NH+]1CCO[C@@H]2C[N@H+](Cc3ccc(OC)cc3)CC[C@@H]2C1	ZINC000096249625	402074797	/nfs/dbraw/zinc/07/47/97/402074797.db2.gz	MDHNMZRCPJOABE-IEBWSBKVSA-N	2	0	316.445	2.404	40	30		DEEBRP
[NH2+]=c1ccn(C/C=C/C[n+]2ccc(/C=N/O)cc2)c2ccccc12	ZINC000005184166	181214420	/nfs/dbraw/zinc/21/44/20/181214420.db2.gz	LAROJPYFOGYZEQ-DKFURHEUSA-O	2	0	319.388	2.473	40	30		DEEBRP
CC1(C)CC(NC(=[NH2+])Nc2ncccc2[N+](=O)[O-])CC(C)(C)[NH2+]1	ZINC000225241643	402315953	/nfs/dbraw/zinc/31/59/53/402315953.db2.gz	YBIDEOVRUMENBB-UHFFFAOYSA-N	2	0	320.397	2.026	40	30		DEEBRP
C=CC[N@@H+]1CCO[C@@H]2C[NH+](Cc3cccc(C#N)c3)CC[C@@H]2C1	ZINC000096249626	402074687	/nfs/dbraw/zinc/07/46/87/402074687.db2.gz	PPTYRGKPTLCNSA-RTBURBONSA-N	2	0	311.429	2.267	40	30		DEEBRP
NC(=[NH2+])c1ccc(NC(=S)Nc2ccc(C(N)=[NH2+])cc2)cc1	ZINC000005933193	283262444	/nfs/dbraw/zinc/26/24/44/283262444.db2.gz	IUFGJBJVAOZKBL-UHFFFAOYSA-N	2	0	312.402	2.284	40	30		DEEBRP