smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CC[N@@H+]1C[C@@H]2C[NH+](CC3CC3)CCC[C@]2(C(=O)OCC)C1	ZINC000096055986	402052439	/nfs/dbraw/zinc/05/24/39/402052439.db2.gz	ZIPPSQFAIVUBMG-WMZOPIPTSA-N	2	1	306.450	2.160	40	30		DEEBMP
C=CC[N@H+]1C[C@@H]2C[NH+](CC3CC3)CCC[C@]2(C(=O)OCC)C1	ZINC000096055986	402052440	/nfs/dbraw/zinc/05/24/40/402052440.db2.gz	ZIPPSQFAIVUBMG-WMZOPIPTSA-N	2	1	306.450	2.160	40	30		DEEBMP
C=CC[NH+]1C[C@@H]2C[N@H+](CC3CC3)CCC[C@]2(C(=O)OCC)C1	ZINC000096055986	402052441	/nfs/dbraw/zinc/05/24/41/402052441.db2.gz	ZIPPSQFAIVUBMG-WMZOPIPTSA-N	2	1	306.450	2.160	40	30		DEEBMP
C=CC[NH+]1C[C@@H]2C[N@@H+](CC3CC3)CCC[C@]2(C(=O)OCC)C1	ZINC000096055986	402052442	/nfs/dbraw/zinc/05/24/42/402052442.db2.gz	ZIPPSQFAIVUBMG-WMZOPIPTSA-N	2	1	306.450	2.160	40	30		DEEBMP
C[C@H]([NH3+])/C=N\c1ccc(Cc2ccc(/N=C/C(N)[NH3+])cc2)cc1	ZINC000100644022	402142187	/nfs/dbraw/zinc/14/21/87/402142187.db2.gz	BTNGKPJAJHCRPX-UTQQGOGKSA-N	2	1	309.417	2.273	40	30		DEEBMP
CC(C)[N@H+]1CCO[C@@H]2C[NH+](Cc3cccc(C#N)c3)CC[C@@H]2C1	ZINC000096249575	402074672	/nfs/dbraw/zinc/07/46/72/402074672.db2.gz	PFAVXWFVCSXAEN-RTBURBONSA-N	2	1	313.445	2.489	40	30		DEEBMP
CC(C)[NH+]1CCO[C@@H]2C[N@H+](Cc3cccc(C#N)c3)CC[C@@H]2C1	ZINC000096249575	402074675	/nfs/dbraw/zinc/07/46/75/402074675.db2.gz	PFAVXWFVCSXAEN-RTBURBONSA-N	2	1	313.445	2.489	40	30		DEEBMP
CC(C)[NH+]1CCO[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)CC[C@@H]2C1	ZINC000096249575	402074678	/nfs/dbraw/zinc/07/46/78/402074678.db2.gz	PFAVXWFVCSXAEN-RTBURBONSA-N	2	1	313.445	2.489	40	30		DEEBMP
C[C@H]([NH3+])/C=N\c1ccc(Cc2ccc(/N=C\C(N)[NH3+])cc2)cc1	ZINC000100644020	402142176	/nfs/dbraw/zinc/14/21/76/402142176.db2.gz	BTNGKPJAJHCRPX-RSIPAINWSA-N	2	1	309.417	2.273	40	30		DEEBMP
C=CC[NH+]1CCO[C@@H]2C[N@@H+](Cc3ccc(OC)cc3)CC[C@@H]2C1	ZINC000096249625	402074800	/nfs/dbraw/zinc/07/48/00/402074800.db2.gz	MDHNMZRCPJOABE-IEBWSBKVSA-N	2	1	316.445	2.404	40	30		DEEBMP
C=CC[N@@H+]1CCO[C@@H]2C[NH+](Cc3ccc(OC)cc3)CC[C@@H]2C1	ZINC000096249625	402074803	/nfs/dbraw/zinc/07/48/03/402074803.db2.gz	MDHNMZRCPJOABE-IEBWSBKVSA-N	2	1	316.445	2.404	40	30		DEEBMP
C=CC[N@H+]1CCO[C@@H]2C[NH+](Cc3ccc(OC)cc3)CC[C@@H]2C1	ZINC000096249625	402074804	/nfs/dbraw/zinc/07/48/04/402074804.db2.gz	MDHNMZRCPJOABE-IEBWSBKVSA-N	2	1	316.445	2.404	40	30		DEEBMP
C[C@@H]([NH3+])C=Nc1ccc(Cc2ccc(N=CC(N)[NH3+])cc2)cc1	ZINC000245238865	534289423	/nfs/dbraw/zinc/28/94/23/534289423.db2.gz	BTNGKPJAJHCRPX-CYBMUJFWSA-N	2	1	309.417	2.273	40	30		DEEBMP
C[C@H]([NH3+])C=Nc1ccc(Cc2ccc(N=CC(N)[NH3+])cc2)cc1	ZINC000245238866	225217640	/nfs/dbraw/zinc/21/76/40/225217640.db2.gz	BTNGKPJAJHCRPX-ZDUSSCGKSA-N	2	1	309.417	2.273	40	30		DEEBMP
C[C@H]([NH3+])/C=N/c1ccc(Cc2ccc(/N=C/C(N)[NH3+])cc2)cc1	ZINC000068602882	402202605	/nfs/dbraw/zinc/20/26/05/402202605.db2.gz	BTNGKPJAJHCRPX-GXRHHJRWSA-N	2	1	309.417	2.273	40	30		DEEBMP
C=CC[N@H+]1CCO[C@@H]2C[NH+](Cc3cccc(C#N)c3)CC[C@@H]2C1	ZINC000096249626	402074692	/nfs/dbraw/zinc/07/46/92/402074692.db2.gz	PPTYRGKPTLCNSA-RTBURBONSA-N	2	1	311.429	2.267	40	30		DEEBMP
C=CC[NH+]1CCO[C@@H]2C[N@H+](Cc3cccc(C#N)c3)CC[C@@H]2C1	ZINC000096249626	402074695	/nfs/dbraw/zinc/07/46/95/402074695.db2.gz	PPTYRGKPTLCNSA-RTBURBONSA-N	2	1	311.429	2.267	40	30		DEEBMP
C=CC[NH+]1CCO[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)CC[C@@H]2C1	ZINC000096249626	402074698	/nfs/dbraw/zinc/07/46/98/402074698.db2.gz	PPTYRGKPTLCNSA-RTBURBONSA-N	2	1	311.429	2.267	40	30		DEEBMP
C[C@H]([NH3+])/C=N/c1ccc(Cc2ccc(/N=C\C(N)[NH3+])cc2)cc1	ZINC000100644021	402142218	/nfs/dbraw/zinc/14/22/18/402142218.db2.gz	BTNGKPJAJHCRPX-QABGZJCGSA-N	2	1	309.417	2.273	40	30		DEEBMP
N#Cc1cccc(C[N@@H+]2C[C@@H]3COC[C@@H]([NH+]4CCCC4)[C@@H]3C2)c1	ZINC000306137925	534807493	/nfs/dbraw/zinc/80/74/93/534807493.db2.gz	RKEBFCYZHAHMOT-GUDVDZBRSA-N	2	1	311.429	2.101	40	30		DEEBMP
N#Cc1cccc(C[N@H+]2C[C@@H]3COC[C@@H]([NH+]4CCCC4)[C@@H]3C2)c1	ZINC000306137925	534807498	/nfs/dbraw/zinc/80/74/98/534807498.db2.gz	RKEBFCYZHAHMOT-GUDVDZBRSA-N	2	1	311.429	2.101	40	30		DEEBMP
Cc1c2c3ccccc3[nH]c2c2c([n+]1N)CC(C)(C)C/C2=[NH+]\N	ZINC000013511829	401800607	/nfs/dbraw/zinc/80/06/07/401800607.db2.gz	SLEOZRWCPAUYMB-LPYMAVHISA-O	2	1	308.409	2.266	40	30		DEEBMP
C[NH+]1CCC([N@@H+]2CC[C@H](c3nc4cc(C#N)ccc4[nH]3)C2)CC1	ZINC000035446857	277029018	/nfs/dbraw/zinc/02/90/18/277029018.db2.gz	RMULRAIVMHBLCJ-AWEZNQCLSA-N	2	1	309.417	2.318	40	30	biogenic,in-vitro	DEEBMP
C[NH+]1CCC([N@H+]2CC[C@H](c3nc4cc(C#N)ccc4[nH]3)C2)CC1	ZINC000035446857	277029020	/nfs/dbraw/zinc/02/90/20/277029020.db2.gz	RMULRAIVMHBLCJ-AWEZNQCLSA-N	2	1	309.417	2.318	40	30	biogenic,in-vitro	DEEBMP