smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc([C@@H](C)[NH2+][C@@H]2CCC[C@H](N(C)C)C2)c(C)s1	ZINC000161019098	525474000	/nfs/dbraw/zinc/47/40/00/525474000.db2.gz	APIFQQKUERLCLG-YUELXQCFSA-N	1	3	280.481	3.888	20	70		CHIDHO
CN(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCSc3ccccc32)C1	ZINC000161036634	522048983	/nfs/dbraw/zinc/04/89/83/522048983.db2.gz	SHGFPBXCMSCBAR-SQWLQELKSA-N	1	3	290.476	3.686	20	70		CHIDHO
Cc1ccsc1[C@H](C)[NH2+][C@H]1CCC[C@H](N(C)C)C1	ZINC000161064249	328124142	/nfs/dbraw/zinc/12/41/42/328124142.db2.gz	KHZXLEMSEZVFJL-IHRRRGAJSA-N	1	3	266.454	3.580	20	70		CHIDHO
Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H](N(C)C)C2)cc1	ZINC000161126055	328134300	/nfs/dbraw/zinc/13/43/00/328134300.db2.gz	WZTRFVSULVPTKM-UAGQMJEPSA-N	1	3	260.425	3.518	20	70		CHIDHO
Cc1cc([C@H](C)[NH2+][C@H]2CCC[C@H](N(C)C)C2)c(C)s1	ZINC000161019463	525532615	/nfs/dbraw/zinc/53/26/15/525532615.db2.gz	APIFQQKUERLCLG-QEJZJMRPSA-N	1	3	280.481	3.888	20	70		CHIDHO
CSc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H](N(C)C)C2)cc1	ZINC000161096760	328129329	/nfs/dbraw/zinc/12/93/29/328129329.db2.gz	QMASYLVWXKDCTG-BPUTZDHNSA-N	1	3	292.492	3.932	20	70		CHIDHO
CC[C@@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)c1ccc(OC)cc1	ZINC000161060797	522925366	/nfs/dbraw/zinc/92/53/66/522925366.db2.gz	TYGSQPNSNKVXHS-SOLBZPMBSA-N	1	3	290.451	3.609	20	70		CHIDHO
CC[C@@H]([NH2+][C@H]1CCC[C@H](N(C)C)C1)c1cccc(OC)c1	ZINC000161026125	522948906	/nfs/dbraw/zinc/94/89/06/522948906.db2.gz	XKEKFNJQADCOCJ-XYJFISCASA-N	1	3	290.451	3.609	20	70		CHIDHO
CCOc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H](N(C)C)C2)cc1	ZINC000161130816	328135735	/nfs/dbraw/zinc/13/57/35/328135735.db2.gz	BKSRYIRGCOMKHI-XIRDDKMYSA-N	1	3	290.451	3.609	20	70		CHIDHO
C[C@H]1CCCCN1CCC[NH2+]Cc1cccc2cc[nH]c21	ZINC000218077881	333126661	/nfs/dbraw/zinc/12/66/61/333126661.db2.gz	ZZILQELHFNPOJW-HNNXBMFYSA-N	1	3	285.435	3.522	20	70		CHIDHO
CC[N@H+](CCCN1CCCCC1)[C@H](C)c1cccc(O)c1	ZINC000161397506	521014605	/nfs/dbraw/zinc/01/46/05/521014605.db2.gz	BUAVJBUXJZKTPQ-MRXNPFEDSA-N	1	3	290.451	3.651	20	70		CHIDHO
CC[N@@H+](CCCN1CCCCC1)[C@H](C)c1cccc(O)c1	ZINC000161397506	521014615	/nfs/dbraw/zinc/01/46/15/521014615.db2.gz	BUAVJBUXJZKTPQ-MRXNPFEDSA-N	1	3	290.451	3.651	20	70		CHIDHO
CC[C@@H]([NH2+][C@H]1CCC[C@H](N(C)C)C1)c1ccc(OC)cc1	ZINC000161061040	522949725	/nfs/dbraw/zinc/94/97/25/522949725.db2.gz	TYGSQPNSNKVXHS-XYJFISCASA-N	1	3	290.451	3.609	20	70		CHIDHO
C[C@H](Cc1ccsc1)NC1CC(C)(C)[NH2+]C(C)(C)C1	ZINC000159594718	327545482	/nfs/dbraw/zinc/54/54/82/327545482.db2.gz	WBJAJVDNFCTNKE-GFCCVEGCSA-N	1	3	280.481	3.578	20	70		CHIDHO
C[C@@H](c1ccc2ccccc2c1)N1CCC[C@@H](C[NH3+])C1	ZINC000217507021	333121266	/nfs/dbraw/zinc/12/12/66/333121266.db2.gz	BUYASQPRJLQELC-GJZGRUSLSA-N	1	3	268.404	3.572	20	70		CHIDHO
CN(C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCSc3ccccc32)C1	ZINC000161036875	522047530	/nfs/dbraw/zinc/04/75/30/522047530.db2.gz	SHGFPBXCMSCBAR-IIAWOOMASA-N	1	3	290.476	3.686	20	70		CHIDHO
CN(C)[C@H]1CCC[C@H]([NH2+][C@@H]2CCCc3sccc32)C1	ZINC000161097581	522100450	/nfs/dbraw/zinc/10/04/50/522100450.db2.gz	HNZPQPQBEUVERJ-KCQAQPDRSA-N	1	3	278.465	3.588	20	70		CHIDHO
CC[C@@H]([NH2+][C@H]1CCC[C@H](N(C)C)C1)c1ccccc1	ZINC000161032814	522949507	/nfs/dbraw/zinc/94/95/07/522949507.db2.gz	MWMRQLSHIJQYBL-YESZJQIVSA-N	1	3	260.425	3.600	20	70		CHIDHO
Cc1ccccc1[C@H](C)[NH2+][C@H]1CCC[C@H](N(C)C)C1	ZINC000161096401	328129301	/nfs/dbraw/zinc/12/93/01/328129301.db2.gz	YMHRBWMHIJFWBH-JYJNAYRXSA-N	1	3	260.425	3.518	20	70		CHIDHO
Cc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H](N(C)C)C2)cc1	ZINC000161126283	328134239	/nfs/dbraw/zinc/13/42/39/328134239.db2.gz	WZTRFVSULVPTKM-XIRDDKMYSA-N	1	3	260.425	3.518	20	70		CHIDHO
CN(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCc3sccc32)C1	ZINC000161097469	522049135	/nfs/dbraw/zinc/04/91/35/522049135.db2.gz	HNZPQPQBEUVERJ-GZBFAFLISA-N	1	3	278.465	3.588	20	70		CHIDHO
CC[C@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)c1cccc(OC)c1	ZINC000161025780	522711189	/nfs/dbraw/zinc/71/11/89/522711189.db2.gz	XKEKFNJQADCOCJ-RYRKJORJSA-N	1	3	290.451	3.609	20	70		CHIDHO
CSc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H](N(C)C)C2)cc1	ZINC000161096531	328129466	/nfs/dbraw/zinc/12/94/66/328129466.db2.gz	QMASYLVWXKDCTG-IMJJTQAJSA-N	1	3	292.492	3.932	20	70		CHIDHO
C[C@@H]1CCCCN1CCC[NH2+]Cc1cccc2cc[nH]c21	ZINC000218077799	333126616	/nfs/dbraw/zinc/12/66/16/333126616.db2.gz	ZZILQELHFNPOJW-OAHLLOKOSA-N	1	3	285.435	3.522	20	70		CHIDHO
CN(C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCc3sccc32)C1	ZINC000161097695	522046452	/nfs/dbraw/zinc/04/64/52/522046452.db2.gz	HNZPQPQBEUVERJ-UMVBOHGHSA-N	1	3	278.465	3.588	20	70		CHIDHO
C[C@H]1C[C@H](NCCSc2ccc(Cl)cc2)CC[N@@H+]1C	ZINC000160047044	261202870	/nfs/dbraw/zinc/20/28/70/261202870.db2.gz	YIEHLRMYFULKNR-GXTWGEPZSA-N	1	3	298.883	3.504	20	70		CHIDHO
C[C@H]1C[C@H](NCCSc2ccc(Cl)cc2)CC[N@H+]1C	ZINC000160047044	261202872	/nfs/dbraw/zinc/20/28/72/261202872.db2.gz	YIEHLRMYFULKNR-GXTWGEPZSA-N	1	3	298.883	3.504	20	70		CHIDHO
CCOc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H](N(C)C)C2)cc1	ZINC000161130582	328135443	/nfs/dbraw/zinc/13/54/43/328135443.db2.gz	BKSRYIRGCOMKHI-UAGQMJEPSA-N	1	3	290.451	3.609	20	70		CHIDHO
CC(C)=CCC[C@H](C)[NH2+][C@@H]1CCC[C@H](N(C)C)C1	ZINC000161041169	328119922	/nfs/dbraw/zinc/11/99/22/328119922.db2.gz	JHKVKTYHVRXUGZ-XHSDSOJGSA-N	1	3	252.446	3.584	20	70		CHIDHO
C[C@H]1C[C@@H](NCCSc2ccc(Cl)cc2)CC[N@@H+]1C	ZINC000160047308	261203071	/nfs/dbraw/zinc/20/30/71/261203071.db2.gz	YIEHLRMYFULKNR-JSGCOSHPSA-N	1	3	298.883	3.504	20	70		CHIDHO
C[C@H]1C[C@@H](NCCSc2ccc(Cl)cc2)CC[N@H+]1C	ZINC000160047308	261203074	/nfs/dbraw/zinc/20/30/74/261203074.db2.gz	YIEHLRMYFULKNR-JSGCOSHPSA-N	1	3	298.883	3.504	20	70		CHIDHO
CN(C)[C@H]1CCC[C@H]([NH2+][C@@H]2CCSc3ccccc32)C1	ZINC000161036766	522099889	/nfs/dbraw/zinc/09/98/89/522099889.db2.gz	SHGFPBXCMSCBAR-OFQRWUPVSA-N	1	3	290.476	3.686	20	70		CHIDHO
Cc1cc([C@H](C)[NH2+][C@@H]2CCC[C@H](N(C)C)C2)c(C)s1	ZINC000161019228	525527294	/nfs/dbraw/zinc/52/72/94/525527294.db2.gz	APIFQQKUERLCLG-CFVMTHIKSA-N	1	3	280.481	3.888	20	70		CHIDHO
Cc1ccc([C@@H](C)[NH2+][C@H]2CCC[C@H](N(C)C)C2)s1	ZINC000161002655	525750137	/nfs/dbraw/zinc/75/01/37/525750137.db2.gz	RSRSTIPJWHDMNS-RDBSUJKOSA-N	1	3	266.454	3.580	20	70		CHIDHO
C[C@@H]1C[C@@H](NCCSc2ccc(Cl)cc2)CC[N@@H+]1C	ZINC000160047162	261203000	/nfs/dbraw/zinc/20/30/00/261203000.db2.gz	YIEHLRMYFULKNR-OCCSQVGLSA-N	1	3	298.883	3.504	20	70		CHIDHO
C[C@@H]1C[C@@H](NCCSc2ccc(Cl)cc2)CC[N@H+]1C	ZINC000160047162	261203003	/nfs/dbraw/zinc/20/30/03/261203003.db2.gz	YIEHLRMYFULKNR-OCCSQVGLSA-N	1	3	298.883	3.504	20	70		CHIDHO
CC[C@H]([NH2+][C@H]1CCC[C@H](N(C)C)C1)c1cccs1	ZINC000161059908	328123100	/nfs/dbraw/zinc/12/31/00/328123100.db2.gz	MYSIJURSYBYKMM-IHRRRGAJSA-N	1	3	266.454	3.662	20	70		CHIDHO
Cc1ccsc1[C@H](C)NCc1ccc(C[NH+](C)C)cc1	ZINC000160868991	328090782	/nfs/dbraw/zinc/09/07/82/328090782.db2.gz	HEGMWOCTQWIEBD-AWEZNQCLSA-N	1	3	288.460	3.969	20	70		CHIDHO
C[C@@H](c1ccc(C(C)(C)C)cc1)N1CCC[C@@H](C[NH3+])C1	ZINC000217512167	333121375	/nfs/dbraw/zinc/12/13/75/333121375.db2.gz	OVUOBCBANDDYFV-GJZGRUSLSA-N	1	3	274.452	3.716	20	70		CHIDHO
CC[C@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)c1ccccc1	ZINC000161032449	522713302	/nfs/dbraw/zinc/71/33/02/522713302.db2.gz	MWMRQLSHIJQYBL-IKGGRYGDSA-N	1	3	260.425	3.600	20	70		CHIDHO
CC[C@H]([NH2+][C@H]1CCC[C@H](N(C)C)C1)c1cccc(OC)c1	ZINC000161025995	522753061	/nfs/dbraw/zinc/75/30/61/522753061.db2.gz	XKEKFNJQADCOCJ-BQFCYCMXSA-N	1	3	290.451	3.609	20	70		CHIDHO
CC[C@H]([NH2+][C@H]1CCC[C@H](N(C)C)C1)c1ccc(OC)cc1	ZINC000161060914	522754115	/nfs/dbraw/zinc/75/41/15/522754115.db2.gz	TYGSQPNSNKVXHS-BQFCYCMXSA-N	1	3	290.451	3.609	20	70		CHIDHO
CC[C@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)c1cccs1	ZINC000161059656	328123130	/nfs/dbraw/zinc/12/31/30/328123130.db2.gz	MYSIJURSYBYKMM-RDBSUJKOSA-N	1	3	266.454	3.662	20	70		CHIDHO
Cc1cccc([C@H](C)[NH2+][C@@H]2CCC[C@H](N(C)C)C2)c1	ZINC000161130063	328135453	/nfs/dbraw/zinc/13/54/53/328135453.db2.gz	NXCPMRSAAZUBKN-UAGQMJEPSA-N	1	3	260.425	3.518	20	70		CHIDHO
CC[N@H+](CCCN1CCCCC1)[C@@H](C)c1cccc(O)c1	ZINC000161397363	521012776	/nfs/dbraw/zinc/01/27/76/521012776.db2.gz	BUAVJBUXJZKTPQ-INIZCTEOSA-N	1	3	290.451	3.651	20	70		CHIDHO
CC[N@@H+](CCCN1CCCCC1)[C@@H](C)c1cccc(O)c1	ZINC000161397363	521012780	/nfs/dbraw/zinc/01/27/80/521012780.db2.gz	BUAVJBUXJZKTPQ-INIZCTEOSA-N	1	3	290.451	3.651	20	70		CHIDHO
CC[C@@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)c1ccccc1	ZINC000161032568	522923787	/nfs/dbraw/zinc/92/37/87/522923787.db2.gz	MWMRQLSHIJQYBL-IXDOHACOSA-N	1	3	260.425	3.600	20	70		CHIDHO
C(CN1CCCCC1)C[NH+]1CCC2(CCCC2)CC1	ZINC000161202552	261240227	/nfs/dbraw/zinc/24/02/27/261240227.db2.gz	JHMCDIOWIYQGBW-UHFFFAOYSA-N	1	3	264.457	3.519	20	70		CHIDHO
Cc1ccsc1[C@H](C)[NH2+][C@@H]1CCC[C@H](N(C)C)C1	ZINC000161064000	328124213	/nfs/dbraw/zinc/12/42/13/328124213.db2.gz	KHZXLEMSEZVFJL-MJBXVCDLSA-N	1	3	266.454	3.580	20	70		CHIDHO
CN(C)[C@H]1CCC[C@@H]([NH2+][C@@H]2CCSc3ccccc32)C1	ZINC000161037017	522099599	/nfs/dbraw/zinc/09/95/99/522099599.db2.gz	SHGFPBXCMSCBAR-IJEWVQPXSA-N	1	3	290.476	3.686	20	70		CHIDHO
CC[C@@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)c1cccc(OC)c1	ZINC000161025888	522925623	/nfs/dbraw/zinc/92/56/23/522925623.db2.gz	XKEKFNJQADCOCJ-SOLBZPMBSA-N	1	3	290.451	3.609	20	70		CHIDHO
C[C@H](CSC(C)(C)C)[NH2+]C1CCN(C2CCCC2)CC1	ZINC000160480609	524612842	/nfs/dbraw/zinc/61/28/42/524612842.db2.gz	KXXNMWKTGWBIRY-CQSZACIVSA-N	1	3	298.540	3.903	20	70		CHIDHO
C[C@H](CSC(C)(C)C)NC1CC[NH+](C2CCCC2)CC1	ZINC000160480609	524612851	/nfs/dbraw/zinc/61/28/51/524612851.db2.gz	KXXNMWKTGWBIRY-CQSZACIVSA-N	1	3	298.540	3.903	20	70		CHIDHO
Cc1ccccc1[C@H](C)[NH2+][C@@H]1CCC[C@H](N(C)C)C1	ZINC000161096162	328129428	/nfs/dbraw/zinc/12/94/28/328129428.db2.gz	YMHRBWMHIJFWBH-XHSDSOJGSA-N	1	3	260.425	3.518	20	70		CHIDHO
CN(C)[C@H]1CCC[C@@H]([NH2+][C@@H]2CCCc3sccc32)C1	ZINC000161097803	522100563	/nfs/dbraw/zinc/10/05/63/522100563.db2.gz	HNZPQPQBEUVERJ-VNHYZAJKSA-N	1	3	278.465	3.588	20	70		CHIDHO
Cc1ccc([C@@H](C)[NH2+][C@@H]2CCC[C@H](N(C)C)C2)s1	ZINC000161002447	525743999	/nfs/dbraw/zinc/74/39/99/525743999.db2.gz	RSRSTIPJWHDMNS-MCIONIFRSA-N	1	3	266.454	3.580	20	70		CHIDHO
C[C@@H](CSC(C)(C)C)[NH2+]C1CCN(C2CCCC2)CC1	ZINC000160480489	524839069	/nfs/dbraw/zinc/83/90/69/524839069.db2.gz	KXXNMWKTGWBIRY-AWEZNQCLSA-N	1	3	298.540	3.903	20	70		CHIDHO
C[C@@H](CSC(C)(C)C)NC1CC[NH+](C2CCCC2)CC1	ZINC000160480489	524839081	/nfs/dbraw/zinc/83/90/81/524839081.db2.gz	KXXNMWKTGWBIRY-AWEZNQCLSA-N	1	3	298.540	3.903	20	70		CHIDHO
C[NH2+]C[C@@H]1CCCN([C@@H](C)c2ccc3ccccc3c2)C1	ZINC000218069009	333126309	/nfs/dbraw/zinc/12/63/09/333126309.db2.gz	HUMWSHVFQIWHNJ-HOTGVXAUSA-N	1	3	282.431	3.832	20	70		CHIDHO
CC[C@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)c1ccc(OC)cc1	ZINC000161060692	522711145	/nfs/dbraw/zinc/71/11/45/522711145.db2.gz	TYGSQPNSNKVXHS-RYRKJORJSA-N	1	3	290.451	3.609	20	70		CHIDHO
Cc1cccc([C@H](C)[NH2+][C@H]2CCC[C@H](N(C)C)C2)c1	ZINC000161130323	328135512	/nfs/dbraw/zinc/13/55/12/328135512.db2.gz	NXCPMRSAAZUBKN-XIRDDKMYSA-N	1	3	260.425	3.518	20	70		CHIDHO
C[C@@H]1C[C@H](NCCSc2ccc(Cl)cc2)CC[N@H+]1C	ZINC000160046906	261202988	/nfs/dbraw/zinc/20/29/88/261202988.db2.gz	YIEHLRMYFULKNR-TZMCWYRMSA-N	1	3	298.883	3.504	20	70		CHIDHO
C[C@@H]1C[C@H](NCCSc2ccc(Cl)cc2)CC[N@@H+]1C	ZINC000160046906	261202987	/nfs/dbraw/zinc/20/29/87/261202987.db2.gz	YIEHLRMYFULKNR-TZMCWYRMSA-N	1	3	298.883	3.504	20	70		CHIDHO
Cc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H](N(C)C)C2)s1	ZINC000161002777	525946695	/nfs/dbraw/zinc/94/66/95/525946695.db2.gz	RSRSTIPJWHDMNS-IHRRRGAJSA-N	1	3	266.454	3.580	20	70		CHIDHO
CC(C)=CCC[C@H](C)[NH2+][C@H]1CCC[C@H](N(C)C)C1	ZINC000161041384	328119878	/nfs/dbraw/zinc/11/98/78/328119878.db2.gz	JHKVKTYHVRXUGZ-JYJNAYRXSA-N	1	3	252.446	3.584	20	70		CHIDHO
CC[C@H]([NH2+][C@H]1CCC[C@H](N(C)C)C1)c1ccccc1	ZINC000161032678	522753654	/nfs/dbraw/zinc/75/36/54/522753654.db2.gz	MWMRQLSHIJQYBL-ULQDDVLXSA-N	1	3	260.425	3.600	20	70		CHIDHO
Cc1ccsc1[C@@H](C)NCc1ccc(C[NH+](C)C)cc1	ZINC000160868858	328090748	/nfs/dbraw/zinc/09/07/48/328090748.db2.gz	HEGMWOCTQWIEBD-CQSZACIVSA-N	1	3	288.460	3.969	20	70		CHIDHO
Cc1cc([C@@H](C)[NH2+][C@H]2CCC[C@H](N(C)C)C2)c(C)s1	ZINC000161019349	525476710	/nfs/dbraw/zinc/47/67/10/525476710.db2.gz	APIFQQKUERLCLG-SNPRPXQTSA-N	1	3	280.481	3.888	20	70		CHIDHO
Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H](N(C)C)C2)s1	ZINC000161002548	525938909	/nfs/dbraw/zinc/93/89/09/525938909.db2.gz	RSRSTIPJWHDMNS-MJBXVCDLSA-N	1	3	266.454	3.580	20	70		CHIDHO