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]([NH+](C)C)C2)c(C)s1	ZINC000161019098	525473985	/nfs/dbraw/zinc/47/39/85/525473985.db2.gz	APIFQQKUERLCLG-YUELXQCFSA-N	2	0	280.481	3.888	20	70		CHIDRP
C[C@@H](C[NH2+]C1CC(c2ccccc2Cl)C1)N(C)C1CC1	ZINC000217593718	333121667	/nfs/dbraw/zinc/12/16/67/333121667.db2.gz	SDCDMNMIOSYCGH-HSBZDZAISA-N	2	0	292.854	3.658	20	70		CHIDRP
C1=CC[C@]2(CC1)CCC[N@@H+](CCC[NH+]1CCCCC1)C2	ZINC000161360380	518576580	/nfs/dbraw/zinc/57/65/80/518576580.db2.gz	DWGLBUVDXLWDKC-SFHVURJKSA-N	2	0	276.468	3.685	20	70		CHIDRP
C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCSc3ccccc32)C1	ZINC000161036634	522048969	/nfs/dbraw/zinc/04/89/69/522048969.db2.gz	SHGFPBXCMSCBAR-SQWLQELKSA-N	2	0	290.476	3.686	20	70		CHIDRP
CCc1ccc([C@@H](C)[NH2+]Cc2ccc(C[NH+](C)C)cc2)o1	ZINC000160900177	524026259	/nfs/dbraw/zinc/02/62/59/524026259.db2.gz	SHQKXSWMYNYVQE-CQSZACIVSA-N	2	0	286.419	3.754	20	70		CHIDRP
Cc1ccsc1[C@H](C)[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1	ZINC000161064249	328124138	/nfs/dbraw/zinc/12/41/38/328124138.db2.gz	KHZXLEMSEZVFJL-IHRRRGAJSA-N	2	0	266.454	3.580	20	70		CHIDRP
Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)cc1	ZINC000161126055	328134297	/nfs/dbraw/zinc/13/42/97/328134297.db2.gz	WZTRFVSULVPTKM-UAGQMJEPSA-N	2	0	260.425	3.518	20	70		CHIDRP
C[C@@H]([NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1)c1ccccc1	ZINC000159790782	330851513	/nfs/dbraw/zinc/85/15/13/330851513.db2.gz	KEVURTVGKCFPPO-ZMSDIMECSA-N	2	0	260.425	3.648	20	70		CHIDRP
Cc1cc([C@H](C)[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)c(C)s1	ZINC000161019463	525532600	/nfs/dbraw/zinc/53/26/00/525532600.db2.gz	APIFQQKUERLCLG-QEJZJMRPSA-N	2	0	280.481	3.888	20	70		CHIDRP
CSc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)cc1	ZINC000161096760	328129323	/nfs/dbraw/zinc/12/93/23/328129323.db2.gz	QMASYLVWXKDCTG-BPUTZDHNSA-N	2	0	292.492	3.932	20	70		CHIDRP
CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1cccc2cc[nH]c21	ZINC000218058477	333126352	/nfs/dbraw/zinc/12/63/52/333126352.db2.gz	PFUYPOJKNWJRRM-OAHLLOKOSA-N	2	0	287.451	3.768	20	70		CHIDRP
CC[C@@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(OC)cc1	ZINC000161060797	522925343	/nfs/dbraw/zinc/92/53/43/522925343.db2.gz	TYGSQPNSNKVXHS-SOLBZPMBSA-N	2	0	290.451	3.609	20	70		CHIDRP
CC[C@@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1cccc(OC)c1	ZINC000161026125	522948878	/nfs/dbraw/zinc/94/88/78/522948878.db2.gz	XKEKFNJQADCOCJ-XYJFISCASA-N	2	0	290.451	3.609	20	70		CHIDRP
CCOc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)cc1	ZINC000161130816	328135731	/nfs/dbraw/zinc/13/57/31/328135731.db2.gz	BKSRYIRGCOMKHI-XIRDDKMYSA-N	2	0	290.451	3.609	20	70		CHIDRP
C1=CC[C@@]2(CC1)CCC[N@@H+](CCC[NH+]1CCCCC1)C2	ZINC000161360526	518576245	/nfs/dbraw/zinc/57/62/45/518576245.db2.gz	DWGLBUVDXLWDKC-GOSISDBHSA-N	2	0	276.468	3.685	20	70		CHIDRP
CC(C)[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1	ZINC000161062487	519813070	/nfs/dbraw/zinc/81/30/70/519813070.db2.gz	RMIZRANCTJXESJ-UXDRXVOSSA-N	2	0	286.463	3.816	20	70		CHIDRP
CC[C@@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(OC)cc1	ZINC000161061040	522949695	/nfs/dbraw/zinc/94/96/95/522949695.db2.gz	TYGSQPNSNKVXHS-XYJFISCASA-N	2	0	290.451	3.609	20	70		CHIDRP
C[C@H](Cc1ccsc1)[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1	ZINC000159594718	327545481	/nfs/dbraw/zinc/54/54/81/327545481.db2.gz	WBJAJVDNFCTNKE-GFCCVEGCSA-N	2	0	280.481	3.578	20	70		CHIDRP
C[C@@H](c1ccc2ccccc2c1)[N@@H+]1CCC[C@@H](C[NH3+])C1	ZINC000217507021	333121263	/nfs/dbraw/zinc/12/12/63/333121263.db2.gz	BUYASQPRJLQELC-GJZGRUSLSA-N	2	0	268.404	3.572	20	70		CHIDRP
C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCSc3ccccc32)C1	ZINC000161036875	522047509	/nfs/dbraw/zinc/04/75/09/522047509.db2.gz	SHGFPBXCMSCBAR-IIAWOOMASA-N	2	0	290.476	3.686	20	70		CHIDRP
C[NH+](C)[C@H]1CCC[C@H]([NH2+][C@@H]2CCCc3sccc32)C1	ZINC000161097581	522100431	/nfs/dbraw/zinc/10/04/31/522100431.db2.gz	HNZPQPQBEUVERJ-KCQAQPDRSA-N	2	0	278.465	3.588	20	70		CHIDRP
CC[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1	ZINC000161083889	522226136	/nfs/dbraw/zinc/22/61/36/522226136.db2.gz	QLIBEUKWDJTYOZ-CCNLRDMRSA-N	2	0	272.436	3.570	20	70		CHIDRP
CC[C@@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1ccccc1	ZINC000161032814	522949489	/nfs/dbraw/zinc/94/94/89/522949489.db2.gz	MWMRQLSHIJQYBL-YESZJQIVSA-N	2	0	260.425	3.600	20	70		CHIDRP
Cc1ccccc1[C@H](C)[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1	ZINC000161096401	328129297	/nfs/dbraw/zinc/12/92/97/328129297.db2.gz	YMHRBWMHIJFWBH-JYJNAYRXSA-N	2	0	260.425	3.518	20	70		CHIDRP
CC(C)c1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1	ZINC000218641444	333134360	/nfs/dbraw/zinc/13/43/60/333134360.db2.gz	GALXETAEKRUEOP-HDMKZQKVSA-N	2	0	274.452	3.628	20	70		CHIDRP
C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCc3sccc32)C1	ZINC000161097469	522049116	/nfs/dbraw/zinc/04/91/16/522049116.db2.gz	HNZPQPQBEUVERJ-GZBFAFLISA-N	2	0	278.465	3.588	20	70		CHIDRP
CC[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1cccc(OC)c1	ZINC000161025780	522711158	/nfs/dbraw/zinc/71/11/58/522711158.db2.gz	XKEKFNJQADCOCJ-RYRKJORJSA-N	2	0	290.451	3.609	20	70		CHIDRP
C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1(C)CC1	ZINC000161095069	328129346	/nfs/dbraw/zinc/12/93/46/328129346.db2.gz	OWQHVQYGDKFOPJ-UXDRXVOSSA-N	2	0	298.474	3.960	20	70		CHIDRP
Cc1cccc(CC[C@H](C)[NH2+][C@@H]2CCN3CCCC[C@@H]23)c1	ZINC000217907467	333124995	/nfs/dbraw/zinc/12/49/95/333124995.db2.gz	LREXIOXDTSPTLM-UHOSZYNNSA-N	2	0	286.463	3.533	20	70		CHIDRP
CSc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)cc1	ZINC000161096531	328129462	/nfs/dbraw/zinc/12/94/62/328129462.db2.gz	QMASYLVWXKDCTG-IMJJTQAJSA-N	2	0	292.492	3.932	20	70		CHIDRP
CC(C)c1ccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1	ZINC000218641611	333134377	/nfs/dbraw/zinc/13/43/77/333134377.db2.gz	GALXETAEKRUEOP-RLFYNMQTSA-N	2	0	274.452	3.628	20	70		CHIDRP
C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCc3sccc32)C1	ZINC000161097695	522046423	/nfs/dbraw/zinc/04/64/23/522046423.db2.gz	HNZPQPQBEUVERJ-UMVBOHGHSA-N	2	0	278.465	3.588	20	70		CHIDRP
CCOc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)cc1	ZINC000161130582	328135439	/nfs/dbraw/zinc/13/54/39/328135439.db2.gz	BKSRYIRGCOMKHI-UAGQMJEPSA-N	2	0	290.451	3.609	20	70		CHIDRP
C[C@@H](C[NH2+]Cc1coc2ccccc12)C[NH+]1CCCCC1	ZINC000161095265	524744585	/nfs/dbraw/zinc/74/45/85/524744585.db2.gz	JEXXUSLYFDPNBG-HNNXBMFYSA-N	2	0	286.419	3.644	20	70		CHIDRP
CC(C)=CCC[C@H](C)[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1	ZINC000161041169	328119921	/nfs/dbraw/zinc/11/99/21/328119921.db2.gz	JHKVKTYHVRXUGZ-XHSDSOJGSA-N	2	0	252.446	3.584	20	70		CHIDRP
C[C@@H]([NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1)c1ccccc1	ZINC000159790528	330851527	/nfs/dbraw/zinc/85/15/27/330851527.db2.gz	KEVURTVGKCFPPO-UXLLHSPISA-N	2	0	260.425	3.648	20	70		CHIDRP
CCCC[NH+]1CCC([NH2+]Cc2cccc3cc[nH]c32)CC1	ZINC000218160860	263034516	/nfs/dbraw/zinc/03/45/16/263034516.db2.gz	PSAGQIVAWNORQP-UHFFFAOYSA-N	2	0	285.435	3.522	20	70		CHIDRP
C[NH+](C)[C@H]1CCC[C@H]([NH2+][C@@H]2CCSc3ccccc32)C1	ZINC000161036766	522099873	/nfs/dbraw/zinc/09/98/73/522099873.db2.gz	SHGFPBXCMSCBAR-OFQRWUPVSA-N	2	0	290.476	3.686	20	70		CHIDRP
CCc1ccc([C@H](C)[NH2+]Cc2ccc(C[NH+](C)C)cc2)o1	ZINC000160900291	524046103	/nfs/dbraw/zinc/04/61/03/524046103.db2.gz	SHQKXSWMYNYVQE-AWEZNQCLSA-N	2	0	286.419	3.754	20	70		CHIDRP
Cc1cc([C@H](C)[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)c(C)s1	ZINC000161019228	525527281	/nfs/dbraw/zinc/52/72/81/525527281.db2.gz	APIFQQKUERLCLG-CFVMTHIKSA-N	2	0	280.481	3.888	20	70		CHIDRP
Cc1ccc([C@@H](C)[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)s1	ZINC000161002655	525750119	/nfs/dbraw/zinc/75/01/19/525750119.db2.gz	RSRSTIPJWHDMNS-RDBSUJKOSA-N	2	0	266.454	3.580	20	70		CHIDRP
CC[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1cccs1	ZINC000161059908	328123098	/nfs/dbraw/zinc/12/30/98/328123098.db2.gz	MYSIJURSYBYKMM-IHRRRGAJSA-N	2	0	266.454	3.662	20	70		CHIDRP
CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1cccc2cc[nH]c21	ZINC000218058550	262927896	/nfs/dbraw/zinc/92/78/96/262927896.db2.gz	PFUYPOJKNWJRRM-HNNXBMFYSA-N	2	0	287.451	3.768	20	70		CHIDRP
Cc1ccsc1[C@H](C)[NH2+]Cc1ccc(C[NH+](C)C)cc1	ZINC000160868991	328090780	/nfs/dbraw/zinc/09/07/80/328090780.db2.gz	HEGMWOCTQWIEBD-AWEZNQCLSA-N	2	0	288.460	3.969	20	70		CHIDRP
C[C@@H](c1ccc(C(C)(C)C)cc1)[N@@H+]1CCC[C@@H](C[NH3+])C1	ZINC000217512167	333121370	/nfs/dbraw/zinc/12/13/70/333121370.db2.gz	OVUOBCBANDDYFV-GJZGRUSLSA-N	2	0	274.452	3.716	20	70		CHIDRP
CC[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccccc1	ZINC000161032449	522713272	/nfs/dbraw/zinc/71/32/72/522713272.db2.gz	MWMRQLSHIJQYBL-IKGGRYGDSA-N	2	0	260.425	3.600	20	70		CHIDRP
CC[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1cccc(OC)c1	ZINC000161025995	522753043	/nfs/dbraw/zinc/75/30/43/522753043.db2.gz	XKEKFNJQADCOCJ-BQFCYCMXSA-N	2	0	290.451	3.609	20	70		CHIDRP
CC[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(OC)cc1	ZINC000161060914	522754094	/nfs/dbraw/zinc/75/40/94/522754094.db2.gz	TYGSQPNSNKVXHS-BQFCYCMXSA-N	2	0	290.451	3.609	20	70		CHIDRP
CC[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1cccs1	ZINC000161059656	328123127	/nfs/dbraw/zinc/12/31/27/328123127.db2.gz	MYSIJURSYBYKMM-RDBSUJKOSA-N	2	0	266.454	3.662	20	70		CHIDRP
Cc1cccc([C@H](C)[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)c1	ZINC000161130063	328135449	/nfs/dbraw/zinc/13/54/49/328135449.db2.gz	NXCPMRSAAZUBKN-UAGQMJEPSA-N	2	0	260.425	3.518	20	70		CHIDRP
CC[C@@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccccc1	ZINC000161032568	522923773	/nfs/dbraw/zinc/92/37/73/522923773.db2.gz	MWMRQLSHIJQYBL-IXDOHACOSA-N	2	0	260.425	3.600	20	70		CHIDRP
C(C[NH+]1CCCCC1)C[NH+]1CCC2(CCCC2)CC1	ZINC000161202552	261240223	/nfs/dbraw/zinc/24/02/23/261240223.db2.gz	JHMCDIOWIYQGBW-UHFFFAOYSA-N	2	0	264.457	3.519	20	70		CHIDRP
Cc1ccsc1[C@H](C)[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1	ZINC000161064000	328124211	/nfs/dbraw/zinc/12/42/11/328124211.db2.gz	KHZXLEMSEZVFJL-MJBXVCDLSA-N	2	0	266.454	3.580	20	70		CHIDRP
C[NH+](C)[C@H]1CCC[C@@H]([NH2+][C@@H]2CCSc3ccccc32)C1	ZINC000161037017	522099579	/nfs/dbraw/zinc/09/95/79/522099579.db2.gz	SHGFPBXCMSCBAR-IJEWVQPXSA-N	2	0	290.476	3.686	20	70		CHIDRP
CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CC1	ZINC000161100647	522564064	/nfs/dbraw/zinc/56/40/64/522564064.db2.gz	KKAHQCKYJJOWOM-NXEWRWPSSA-N	2	0	298.474	3.960	20	70		CHIDRP
CC[C@@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1cccc(OC)c1	ZINC000161025888	522925609	/nfs/dbraw/zinc/92/56/09/522925609.db2.gz	XKEKFNJQADCOCJ-SOLBZPMBSA-N	2	0	290.451	3.609	20	70		CHIDRP
C[C@H](CSC(C)(C)C)[NH2+]C1CC[NH+](C2CCCC2)CC1	ZINC000160480609	524612832	/nfs/dbraw/zinc/61/28/32/524612832.db2.gz	KXXNMWKTGWBIRY-CQSZACIVSA-N	2	0	298.540	3.903	20	70		CHIDRP
Cc1ccccc1[C@H](C)[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1	ZINC000161096162	328129424	/nfs/dbraw/zinc/12/94/24/328129424.db2.gz	YMHRBWMHIJFWBH-XHSDSOJGSA-N	2	0	260.425	3.518	20	70		CHIDRP
CC(C)[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1	ZINC000161062359	519792319	/nfs/dbraw/zinc/79/23/19/519792319.db2.gz	RMIZRANCTJXESJ-BPIHKTFHSA-N	2	0	286.463	3.816	20	70		CHIDRP
C[NH+](C)[C@H]1CCC[C@@H]([NH2+][C@@H]2CCCc3sccc32)C1	ZINC000161097803	522100543	/nfs/dbraw/zinc/10/05/43/522100543.db2.gz	HNZPQPQBEUVERJ-VNHYZAJKSA-N	2	0	278.465	3.588	20	70		CHIDRP
C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1(C)CC1	ZINC000161095167	328129375	/nfs/dbraw/zinc/12/93/75/328129375.db2.gz	OWQHVQYGDKFOPJ-BPIHKTFHSA-N	2	0	298.474	3.960	20	70		CHIDRP
Cc1ccc([C@@H](C)[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)s1	ZINC000161002447	525743982	/nfs/dbraw/zinc/74/39/82/525743982.db2.gz	RSRSTIPJWHDMNS-MCIONIFRSA-N	2	0	266.454	3.580	20	70		CHIDRP
Cc1cccc(CC[C@H](C)[NH2+][C@H]2CCN3CCCC[C@@H]23)c1	ZINC000217907643	333125120	/nfs/dbraw/zinc/12/51/20/333125120.db2.gz	LREXIOXDTSPTLM-WDSOQIARSA-N	2	0	286.463	3.533	20	70		CHIDRP
C[C@@H](CSC(C)(C)C)[NH2+]C1CC[NH+](C2CCCC2)CC1	ZINC000160480489	524839061	/nfs/dbraw/zinc/83/90/61/524839061.db2.gz	KXXNMWKTGWBIRY-AWEZNQCLSA-N	2	0	298.540	3.903	20	70		CHIDRP
C[NH2+]C[C@@H]1CCC[N@@H+]([C@@H](C)c2ccc3ccccc3c2)C1	ZINC000218069009	333126306	/nfs/dbraw/zinc/12/63/06/333126306.db2.gz	HUMWSHVFQIWHNJ-HOTGVXAUSA-N	2	0	282.431	3.832	20	70		CHIDRP
CC[C@@H](c1ccc(Cl)cc1)N1CCC[C@@H](C[NH2+]C)C1	ZINC000218070739	333126328	/nfs/dbraw/zinc/12/63/28/333126328.db2.gz	KRIORTWDKZUCMT-BBRMVZONSA-N	2	0	280.843	3.723	20	70		CHIDRP
CC[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1	ZINC000161084039	524003545	/nfs/dbraw/zinc/00/35/45/524003545.db2.gz	QLIBEUKWDJTYOZ-MIGBEJBISA-N	2	0	272.436	3.570	20	70		CHIDRP
CC[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(OC)cc1	ZINC000161060692	522711101	/nfs/dbraw/zinc/71/11/01/522711101.db2.gz	TYGSQPNSNKVXHS-RYRKJORJSA-N	2	0	290.451	3.609	20	70		CHIDRP
Cc1cccc([C@H](C)[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)c1	ZINC000161130323	328135508	/nfs/dbraw/zinc/13/55/08/328135508.db2.gz	NXCPMRSAAZUBKN-XIRDDKMYSA-N	2	0	260.425	3.518	20	70		CHIDRP
C[C@H](C[NH2+]Cc1coc2ccccc12)C[NH+]1CCCCC1	ZINC000161095395	524489483	/nfs/dbraw/zinc/48/94/83/524489483.db2.gz	JEXXUSLYFDPNBG-OAHLLOKOSA-N	2	0	286.419	3.644	20	70		CHIDRP
Cc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)s1	ZINC000161002777	525946673	/nfs/dbraw/zinc/94/66/73/525946673.db2.gz	RSRSTIPJWHDMNS-IHRRRGAJSA-N	2	0	266.454	3.580	20	70		CHIDRP
CC(C)=CCC[C@H](C)[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1	ZINC000161041384	328119875	/nfs/dbraw/zinc/11/98/75/328119875.db2.gz	JHKVKTYHVRXUGZ-JYJNAYRXSA-N	2	0	252.446	3.584	20	70		CHIDRP
CC[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1ccccc1	ZINC000161032678	522753628	/nfs/dbraw/zinc/75/36/28/522753628.db2.gz	MWMRQLSHIJQYBL-ULQDDVLXSA-N	2	0	260.425	3.600	20	70		CHIDRP
CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CC1	ZINC000161100768	522812706	/nfs/dbraw/zinc/81/27/06/522812706.db2.gz	KKAHQCKYJJOWOM-RAFMOHDBSA-N	2	0	298.474	3.960	20	70		CHIDRP
Cc1ccsc1[C@@H](C)[NH2+]Cc1ccc(C[NH+](C)C)cc1	ZINC000160868858	328090746	/nfs/dbraw/zinc/09/07/46/328090746.db2.gz	HEGMWOCTQWIEBD-CQSZACIVSA-N	2	0	288.460	3.969	20	70		CHIDRP
Cc1cc([C@@H](C)[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)c(C)s1	ZINC000161019349	525476682	/nfs/dbraw/zinc/47/66/82/525476682.db2.gz	APIFQQKUERLCLG-SNPRPXQTSA-N	2	0	280.481	3.888	20	70		CHIDRP
Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)s1	ZINC000161002548	525938891	/nfs/dbraw/zinc/93/88/91/525938891.db2.gz	RSRSTIPJWHDMNS-MJBXVCDLSA-N	2	0	266.454	3.580	20	70		CHIDRP