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@@H](CNC(=O)[C@H]1CCC[N@@H+](C)C1)Cc1ccccc1	ZINC000216917300	529486937	/nfs/dbraw/zinc/48/69/37/529486937.db2.gz	JSIOGBUFVPAZPK-WBVHZDCISA-N	1	1	288.435	2.713	40	70		CFIBMO
C[N@H+]1CCC[C@H](C(=O)NCCCc2ccc(Cl)cc2)C1	ZINC000216912115	530060265	/nfs/dbraw/zinc/06/02/65/530060265.db2.gz	ITGPFXVFYKBOGX-AWEZNQCLSA-N	1	1	294.826	2.731	40	70		CFIBMO
Cc1ccc(Nc2cc(N3CC[NH+](C)CC3)ncn2)cc1C	ZINC000216846108	262341328	/nfs/dbraw/zinc/34/13/28/262341328.db2.gz	WCVFAPREJMHZDV-UHFFFAOYSA-N	1	1	297.406	2.589	40	70		CFIBMO
Cc1ccc(SCCNC(=O)[C@H]2CCC[N@H+](C)C2)cc1	ZINC000216905869	382784629	/nfs/dbraw/zinc/78/46/29/382784629.db2.gz	JOKOWLGGGPTKQX-AWEZNQCLSA-N	1	1	292.448	2.545	40	70		CFIBMO
Cc1ccc([C@@H](C)NC(=O)[C@H]2CCC[N@@H+](C)C2)cc1C	ZINC000216918978	230396711	/nfs/dbraw/zinc/39/67/11/230396711.db2.gz	ZOJUZUPQHUPXKH-ZBFHGGJFSA-N	1	1	274.408	2.822	40	70		CFIBMO
Cc1cccc(Nc2cc(N3CC[NH+](C)CC3)ncn2)c1C	ZINC000216845981	262341464	/nfs/dbraw/zinc/34/14/64/262341464.db2.gz	ROEBLLLZJSLPSB-UHFFFAOYSA-N	1	1	297.406	2.589	40	70		CFIBMO
CC[C@@H](NC(=O)[C@H]1CCC[N@@H+](C)C1)c1ccc(OC)cc1	ZINC000216915087	529659365	/nfs/dbraw/zinc/65/93/65/529659365.db2.gz	DHYCFQBBUCKTIV-GOEBONIOSA-N	1	1	290.407	2.604	40	70		CFIBMO
C[N@H+]1CCC[C@@H](C(=O)NCCCSC2CCCCC2)C1	ZINC000216916456	530054371	/nfs/dbraw/zinc/05/43/71/530054371.db2.gz	HBGAAWQWAOVISH-CQSZACIVSA-N	1	1	298.496	2.900	40	70		CFIBMO
Cc1ccccc1Nc1cc(N2CC[NH+](C)CC2)nc(C)n1	ZINC000216848251	262341104	/nfs/dbraw/zinc/34/11/04/262341104.db2.gz	OHMZAXZYCAGZCQ-UHFFFAOYSA-N	1	1	297.406	2.589	40	70		CFIBMO
CC[C@H](NC(=O)[C@H]1CCC[N@@H+](C)C1)c1ccc(C)cc1	ZINC000216914998	529551808	/nfs/dbraw/zinc/55/18/08/529551808.db2.gz	WWVSVGKLDFXBQO-HOTGVXAUSA-N	1	1	274.408	2.904	40	70		CFIBMO
CC[C@@H](NC(=O)[C@H]1CCC[N@@H+](C)C1)c1ccccc1	ZINC000216914854	529659354	/nfs/dbraw/zinc/65/93/54/529659354.db2.gz	KZHLTFAZWDCGTH-LSDHHAIUSA-N	1	1	260.381	2.596	40	70		CFIBMO
CSc1cccc(NC(=O)[C@@H]2CCC[N@@H+](C)C2)c1	ZINC000216907439	189706850	/nfs/dbraw/zinc/70/68/50/189706850.db2.gz	DJJLKHNYUFADAD-LLVKDONJSA-N	1	1	264.394	2.689	40	70		CFIBMO
CC[N@H+]1CCC[C@H]1CCCNC(=O)OC(C)(C)C	ZINC000218325274	382790055	/nfs/dbraw/zinc/79/00/55/382790055.db2.gz	GLAKBSJGJIVCDB-GFCCVEGCSA-N	1	1	256.390	2.776	40	70		CFIBMO
CC[C@H](NC(=O)[C@@H]1CCC[N@@H+](C)C1)c1ccccc1	ZINC000216914829	529541173	/nfs/dbraw/zinc/54/11/73/529541173.db2.gz	KZHLTFAZWDCGTH-CABCVRRESA-N	1	1	260.381	2.596	40	70		CFIBMO
CC[C@H](NC(=O)[C@@H]1CCC[N@@H+](C)C1)c1ccc(C)cc1	ZINC000216914944	382785330	/nfs/dbraw/zinc/78/53/30/382785330.db2.gz	WWVSVGKLDFXBQO-CVEARBPZSA-N	1	1	274.408	2.904	40	70		CFIBMO
FC(F)(F)Cn1cc(NC2=[NH+]CCCCC2)cn1	ZINC000217813576	130763699	/nfs/dbraw/zinc/76/36/99/130763699.db2.gz	PGWWLNPMUHZMPE-UHFFFAOYSA-N	1	1	260.263	2.830	40	70		CFIBMO
Cc1ccc(C)c(Nc2cc(N3CC[NH+](C)CC3)ncn2)c1	ZINC000216846063	262341120	/nfs/dbraw/zinc/34/11/20/262341120.db2.gz	BXZPBZNUFRGMTF-UHFFFAOYSA-N	1	1	297.406	2.589	40	70		CFIBMO
CC[C@@H](NC(=O)[C@@H]1CCC[N@@H+](C)C1)c1ccccc1	ZINC000216914800	529654940	/nfs/dbraw/zinc/65/49/40/529654940.db2.gz	KZHLTFAZWDCGTH-HUUCEWRRSA-N	1	1	260.381	2.596	40	70		CFIBMO
C[N@H+]1CCC[C@@H](C(=O)NCCCSc2ccccc2)C1	ZINC000216916318	530054278	/nfs/dbraw/zinc/05/42/78/530054278.db2.gz	RCHIUQCHIGUZEA-CQSZACIVSA-N	1	1	292.448	2.627	40	70		CFIBMO
Cc1nn(CC(F)(F)F)c(C)c1NC1=[NH+]CCC1	ZINC000217804201	382788079	/nfs/dbraw/zinc/78/80/79/382788079.db2.gz	KUMKSISRSIMMBD-UHFFFAOYSA-N	1	1	260.263	2.666	40	70		CFIBMO
CCc1ccccc1Nc1cc(N2CC[NH+](C)CC2)ncn1	ZINC000216846194	262341188	/nfs/dbraw/zinc/34/11/88/262341188.db2.gz	PVAGMKFTSJTWPJ-UHFFFAOYSA-N	1	1	297.406	2.534	40	70		CFIBMO
Cc1ccc(Nc2cc(N3CC[NH+](C)CC3)ncn2)c(C)c1	ZINC000216846021	262341235	/nfs/dbraw/zinc/34/12/35/262341235.db2.gz	XXRMKEVTIPNFGV-UHFFFAOYSA-N	1	1	297.406	2.589	40	70		CFIBMO
C[N@H+]1CCC[C@H](C(=O)NCCCSc2ccccc2)C1	ZINC000216916345	530060131	/nfs/dbraw/zinc/06/01/31/530060131.db2.gz	RCHIUQCHIGUZEA-AWEZNQCLSA-N	1	1	292.448	2.627	40	70		CFIBMO
Cc1ccc(Nc2cc(N3CC[NH+](C)CC3)nc(C)n2)cc1	ZINC000216848334	262341168	/nfs/dbraw/zinc/34/11/68/262341168.db2.gz	RBRSITNKVVKNMM-UHFFFAOYSA-N	1	1	297.406	2.589	40	70		CFIBMO
CC[C@H](CNC(=O)[C@@H]1CCC[N@@H+](C)C1)Cc1ccccc1	ZINC000216917274	529355461	/nfs/dbraw/zinc/35/54/61/529355461.db2.gz	JSIOGBUFVPAZPK-DOTOQJQBSA-N	1	1	288.435	2.713	40	70		CFIBMO
C[N@H+]1CCC[C@@H](C(=O)NCCCc2ccc(Cl)cc2)C1	ZINC000216912089	530054324	/nfs/dbraw/zinc/05/43/24/530054324.db2.gz	ITGPFXVFYKBOGX-CQSZACIVSA-N	1	1	294.826	2.731	40	70		CFIBMO
CCOc1ccc([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+](C)C2)cc1	ZINC000216914551	528592886	/nfs/dbraw/zinc/59/28/86/528592886.db2.gz	KSMKOCNKJXBPRH-UKRRQHHQSA-N	1	1	290.407	2.604	40	70		CFIBMO
CC[C@H](NC(=O)[C@@H]1CCC[N@@H+](C)C1)c1ccc(OC)cc1	ZINC000216915061	382785040	/nfs/dbraw/zinc/78/50/40/382785040.db2.gz	DHYCFQBBUCKTIV-ZBFHGGJFSA-N	1	1	290.407	2.604	40	70		CFIBMO
Cc1ccc(Cn2cc(NC3=[NH+]CCC3)cn2)cc1	ZINC000217805187	382787846	/nfs/dbraw/zinc/78/78/46/382787846.db2.gz	RYQYULBGUVWRDB-UHFFFAOYSA-N	1	1	254.337	2.844	40	70		CFIBMO
CSc1cccc(NC(=O)[C@H]2CCC[N@@H+](C)C2)c1	ZINC000216907470	382784575	/nfs/dbraw/zinc/78/45/75/382784575.db2.gz	DJJLKHNYUFADAD-NSHDSACASA-N	1	1	264.394	2.689	40	70		CFIBMO
CC(C)(C)OC(=O)N1CC[C@H]2[C@H]1C[N@@H+]2Cc1ccccc1	ZINC000218583143	348167244	/nfs/dbraw/zinc/16/72/44/348167244.db2.gz	QYAYEQNJXBSCAW-LSDHHAIUSA-N	1	1	288.391	2.880	40	70		CFIBMO
CC(C)(C)OC(=O)N1CC[C@H]2[C@H]1C[N@H+]2Cc1ccccc1	ZINC000218583143	348167248	/nfs/dbraw/zinc/16/72/48/348167248.db2.gz	QYAYEQNJXBSCAW-LSDHHAIUSA-N	1	1	288.391	2.880	40	70		CFIBMO
Cc1ccc(SCCNC(=O)[C@@H]2CCC[N@H+](C)C2)cc1	ZINC000216905837	382784766	/nfs/dbraw/zinc/78/47/66/382784766.db2.gz	JOKOWLGGGPTKQX-CQSZACIVSA-N	1	1	292.448	2.545	40	70		CFIBMO
CSc1ccccc1NC(=O)[C@H]1CCC[N@@H+](C)C1	ZINC000216909240	262341751	/nfs/dbraw/zinc/34/17/51/262341751.db2.gz	GTOXDLNQIIOIRJ-NSHDSACASA-N	1	1	264.394	2.689	40	70		CFIBMO
Cc1ccc([C@H](C)NC(=O)[C@@H]2CCC[N@@H+](C)C2)cc1C	ZINC000216918953	382785361	/nfs/dbraw/zinc/78/53/61/382785361.db2.gz	ZOJUZUPQHUPXKH-GOEBONIOSA-N	1	1	274.408	2.822	40	70		CFIBMO
Cc1ccc([C@H](C)NC(=O)[C@H]2CCC[N@@H+](C)C2)cc1C	ZINC000216919000	382785099	/nfs/dbraw/zinc/78/50/99/382785099.db2.gz	ZOJUZUPQHUPXKH-HOCLYGCPSA-N	1	1	274.408	2.822	40	70		CFIBMO
CC[C@H](NC(=O)[C@H]1CCC[N@@H+](C)C1)c1ccc(OC)cc1	ZINC000216915109	382785202	/nfs/dbraw/zinc/78/52/02/382785202.db2.gz	DHYCFQBBUCKTIV-HOCLYGCPSA-N	1	1	290.407	2.604	40	70		CFIBMO
C[NH+]1CCN(C(=O)[C@@]23C[C@H]4C[C@@](C)(C2)C[C@](C)(C4)C3)CC1	ZINC000217401011	382786374	/nfs/dbraw/zinc/78/63/74/382786374.db2.gz	ICCQAANDDFNKEO-LMMRHLTPSA-N	1	1	290.451	2.757	40	70		CFIBMO
CC(C)Oc1cccc(NC(=O)[C@H]2CCC[N@@H+](C)C2)c1	ZINC000216909696	262342042	/nfs/dbraw/zinc/34/20/42/262342042.db2.gz	MKAJAEVYRRMIGS-ZDUSSCGKSA-N	1	1	276.380	2.754	40	70		CFIBMO
Cc1cccc(Nc2cc(N3CC[NH+](C)CC3)nc(C)n2)c1	ZINC000216848291	262341159	/nfs/dbraw/zinc/34/11/59/262341159.db2.gz	AOULXVWCTRLQSH-UHFFFAOYSA-N	1	1	297.406	2.589	40	70		CFIBMO
CCOc1ccc([C@H](C)NC(=O)[C@@H]2CCC[N@@H+](C)C2)cc1	ZINC000216914579	528605260	/nfs/dbraw/zinc/60/52/60/528605260.db2.gz	KSMKOCNKJXBPRH-DZGCQCFKSA-N	1	1	290.407	2.604	40	70		CFIBMO
CCOc1ccc([C@@H](C)NC(=O)[C@H]2CCC[N@@H+](C)C2)cc1	ZINC000216914608	528592975	/nfs/dbraw/zinc/59/29/75/528592975.db2.gz	KSMKOCNKJXBPRH-HIFRSBDPSA-N	1	1	290.407	2.604	40	70		CFIBMO
C[N@H+]1CCC[C@H](C(=O)NCCCSC2CCCCC2)C1	ZINC000216916487	530060048	/nfs/dbraw/zinc/06/00/48/530060048.db2.gz	HBGAAWQWAOVISH-AWEZNQCLSA-N	1	1	298.496	2.900	40	70		CFIBMO
CC[N@H+]1CCC[C@@H]1CCCNC(=O)OC(C)(C)C	ZINC000218325196	382789751	/nfs/dbraw/zinc/78/97/51/382789751.db2.gz	GLAKBSJGJIVCDB-LBPRGKRZSA-N	1	1	256.390	2.776	40	70		CFIBMO
Cc1cc(C)cc(Nc2cc(N3CC[NH+](C)CC3)ncn2)c1	ZINC000216846151	262341370	/nfs/dbraw/zinc/34/13/70/262341370.db2.gz	UOKYQWRWBDLYQL-UHFFFAOYSA-N	1	1	297.406	2.589	40	70		CFIBMO
CC[C@@H](NC(=O)[C@@H]1CCC[N@@H+](C)C1)c1ccc(OC)cc1	ZINC000216915037	382785119	/nfs/dbraw/zinc/78/51/19/382785119.db2.gz	DHYCFQBBUCKTIV-GDBMZVCRSA-N	1	1	290.407	2.604	40	70		CFIBMO
Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+](C)C2)cc1C	ZINC000216918925	382785209	/nfs/dbraw/zinc/78/52/09/382785209.db2.gz	ZOJUZUPQHUPXKH-GDBMZVCRSA-N	1	1	274.408	2.822	40	70		CFIBMO
CCc1ccc(Nc2cc(N3CC[NH+](C)CC3)ncn2)cc1	ZINC000216846239	262341102	/nfs/dbraw/zinc/34/11/02/262341102.db2.gz	IFYKMJOEXHPRHO-UHFFFAOYSA-N	1	1	297.406	2.534	40	70		CFIBMO
CCOc1ccc([C@H](C)NC(=O)[C@H]2CCC[N@@H+](C)C2)cc1	ZINC000216914635	528605728	/nfs/dbraw/zinc/60/57/28/528605728.db2.gz	KSMKOCNKJXBPRH-ZFWWWQNUSA-N	1	1	290.407	2.604	40	70		CFIBMO
CC[C@H](CNC(=O)[C@H]1CCC[N@@H+](C)C1)Cc1ccccc1	ZINC000216917327	529357099	/nfs/dbraw/zinc/35/70/99/529357099.db2.gz	JSIOGBUFVPAZPK-RDJZCZTQSA-N	1	1	288.435	2.713	40	70		CFIBMO
CC[C@@H](CNC(=O)[C@@H]1CCC[N@@H+](C)C1)Cc1ccccc1	ZINC000216917248	529486055	/nfs/dbraw/zinc/48/60/55/529486055.db2.gz	JSIOGBUFVPAZPK-NVXWUHKLSA-N	1	1	288.435	2.713	40	70		CFIBMO
CSc1ccccc1NC(=O)[C@@H]1CCC[N@@H+](C)C1	ZINC000216909209	262341762	/nfs/dbraw/zinc/34/17/62/262341762.db2.gz	GTOXDLNQIIOIRJ-LLVKDONJSA-N	1	1	264.394	2.689	40	70		CFIBMO
CC(C)Oc1cccc(NC(=O)[C@@H]2CCC[N@@H+](C)C2)c1	ZINC000216909668	262342019	/nfs/dbraw/zinc/34/20/19/262342019.db2.gz	MKAJAEVYRRMIGS-CYBMUJFWSA-N	1	1	276.380	2.754	40	70		CFIBMO
CC[C@H](NC(=O)[C@H]1CCC[N@@H+](C)C1)c1ccccc1	ZINC000216914882	529551661	/nfs/dbraw/zinc/55/16/61/529551661.db2.gz	KZHLTFAZWDCGTH-GJZGRUSLSA-N	1	1	260.381	2.596	40	70		CFIBMO
CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1C[N@@H+]2Cc1ccccc1	ZINC000218583070	348167309	/nfs/dbraw/zinc/16/73/09/348167309.db2.gz	QYAYEQNJXBSCAW-GJZGRUSLSA-N	1	1	288.391	2.880	40	70		CFIBMO
CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1C[N@H+]2Cc1ccccc1	ZINC000218583070	348167314	/nfs/dbraw/zinc/16/73/14/348167314.db2.gz	QYAYEQNJXBSCAW-GJZGRUSLSA-N	1	1	288.391	2.880	40	70		CFIBMO
CC[C@@H](NC(=O)[C@@H]1CCC[N@@H+](C)C1)c1ccc(C)cc1	ZINC000216914925	382785171	/nfs/dbraw/zinc/78/51/71/382785171.db2.gz	WWVSVGKLDFXBQO-HZPDHXFCSA-N	1	1	274.408	2.904	40	70		CFIBMO
CC[C@@H](NC(=O)[C@H]1CCC[N@@H+](C)C1)c1ccc(C)cc1	ZINC000216914972	382785394	/nfs/dbraw/zinc/78/53/94/382785394.db2.gz	WWVSVGKLDFXBQO-JKSUJKDBSA-N	1	1	274.408	2.904	40	70		CFIBMO