smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC(=O)[C@@H]1CN(C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CCO1	ZINC000160865379	376386233	/nfs/dbraw/zinc/38/62/33/376386233.db2.gz	MDALTYARTWDGFR-AAEUAGOBSA-N	1	1	310.398	-0.101	20	70		DBIDMO
C[NH+]1CCN(C(=O)CN2CCN(Cc3ccncc3)CC2)CC1	ZINC000161188949	376400562	/nfs/dbraw/zinc/40/05/62/376400562.db2.gz	PTKCTEAMNYXOIA-UHFFFAOYSA-N	1	1	317.437	-0.027	20	70		DBIDMO
CCC[N@H+]1CCCN(C(=O)c2cn(CC(=O)N(C)C)nn2)CC1	ZINC000160365920	519851292	/nfs/dbraw/zinc/85/12/92/519851292.db2.gz	ZCEZZRVNFRWPPV-UHFFFAOYSA-N	1	1	322.413	-0.076	20	70		DBIDMO
C[C@@H](O)C[N@H+]1CCN(C(=O)CNC(=O)c2cccnc2)C[C@@H]1C	ZINC000161214313	525790360	/nfs/dbraw/zinc/79/03/60/525790360.db2.gz	FQUYIHACPKOCTF-QWHCGFSZSA-N	1	1	320.393	-0.275	20	70		DBIDMO
Cc1[nH+]ccn1CCCCN1CCN(S(N)(=O)=O)CC1	ZINC000161347683	376404185	/nfs/dbraw/zinc/40/41/85/376404185.db2.gz	SEOQDCDDDDJJFP-UHFFFAOYSA-N	1	1	301.416	-0.207	20	70		DBIDMO
CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC2(CO)CC2)CC1=O	ZINC000160430065	375379878	/nfs/dbraw/zinc/37/98/78/375379878.db2.gz	LKCWUCGABTTYSQ-CHWSQXEVSA-N	1	1	309.410	-0.040	20	70		DBIDMO
Cc1noc([C@@H]2COCCN2CC(=O)N2CC[NH+](C)CC2)n1	ZINC000161192880	376400627	/nfs/dbraw/zinc/40/06/27/376400627.db2.gz	LBLGTOTYMXOPPQ-LBPRGKRZSA-N	1	1	309.370	-0.475	20	70		DBIDMO
O=C(CN1CCOCC1)N1CC[NH+](CCn2ccnc2)CC1	ZINC000159693083	526789374	/nfs/dbraw/zinc/78/93/74/526789374.db2.gz	WEAWHLVLRMUVLR-UHFFFAOYSA-N	1	1	307.398	-0.641	20	70		DBIDMO
NC(=O)NC(=O)CCC[N@@H+]1Cc2ccccc2C[C@@H]1C(N)=O	ZINC000216929308	375197968	/nfs/dbraw/zinc/19/79/68/375197968.db2.gz	NPVPIRBOZWMJPX-GFCCVEGCSA-N	1	1	304.350	-0.126	20	70		DBIDMO
NC(=O)NC(=O)CCC[N@H+]1Cc2ccccc2C[C@@H]1C(N)=O	ZINC000216929308	375197976	/nfs/dbraw/zinc/19/79/76/375197976.db2.gz	NPVPIRBOZWMJPX-GFCCVEGCSA-N	1	1	304.350	-0.126	20	70		DBIDMO
CC[C@@H](C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)N(C)C	ZINC000159535025	375227692	/nfs/dbraw/zinc/22/76/92/375227692.db2.gz	IUJDGSXCEPXGPJ-ZDUSSCGKSA-N	1	1	324.429	-0.160	20	70		DBIDMO
CCn1c(N)c(C(=O)C[N@H+](C)C[C@@H]2CCC[C@@H]2O)c(=O)[nH]c1=O	ZINC000159457421	332133014	/nfs/dbraw/zinc/13/30/14/332133014.db2.gz	KNGXXJDZJDIZML-UWVGGRQHSA-N	1	1	324.381	-0.586	20	70		DBIDMO
CCn1c(N)c(C(=O)C[N@@H+](C)C[C@@H]2CCC[C@@H]2O)c(=O)[nH]c1=O	ZINC000159457421	332133015	/nfs/dbraw/zinc/13/30/15/332133015.db2.gz	KNGXXJDZJDIZML-UWVGGRQHSA-N	1	1	324.381	-0.586	20	70		DBIDMO
CCn1c(N)c(C(=O)C[N@H+](C)C[C@H]2CCC[C@@H]2O)c(=O)[nH]c1=O	ZINC000159457570	332133057	/nfs/dbraw/zinc/13/30/57/332133057.db2.gz	KNGXXJDZJDIZML-ZJUUUORDSA-N	1	1	324.381	-0.586	20	70		DBIDMO
CCn1c(N)c(C(=O)C[N@@H+](C)C[C@H]2CCC[C@@H]2O)c(=O)[nH]c1=O	ZINC000159457570	332133058	/nfs/dbraw/zinc/13/30/58/332133058.db2.gz	KNGXXJDZJDIZML-ZJUUUORDSA-N	1	1	324.381	-0.586	20	70		DBIDMO
COCCC[N@@H+](C)CCNC(=O)CNC(=O)c1cccnc1	ZINC000160008834	523218430	/nfs/dbraw/zinc/21/84/30/523218430.db2.gz	XVRYLCBGCXTNPF-UHFFFAOYSA-N	1	1	308.382	-0.104	20	70		DBIDMO
C[C@H](NC(N)=O)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1	ZINC000159920947	375179319	/nfs/dbraw/zinc/17/93/19/375179319.db2.gz	IVZBJXCLFUNFNX-NSHDSACASA-N	1	1	300.403	-0.140	20	70		DBIDMO
CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)NC2(CO)CC2)CC1=O	ZINC000160430161	375380653	/nfs/dbraw/zinc/38/06/53/375380653.db2.gz	LKCWUCGABTTYSQ-OLZOCXBDSA-N	1	1	309.410	-0.040	20	70		DBIDMO
CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)Cn1ccc(=O)[nH]c1=O	ZINC000160445783	519722209	/nfs/dbraw/zinc/72/22/09/519722209.db2.gz	FDZSURXTVQWDBT-GFCCVEGCSA-N	1	1	308.382	-0.227	20	70		DBIDMO
C[NH2+]C[C@H]1CCCN1C(=O)CN(C)c1ncnc2[nH]cnc21	ZINC000161370024	522086068	/nfs/dbraw/zinc/08/60/68/522086068.db2.gz	XHLSIRXLOXUEAQ-SNVBAGLBSA-N	1	1	303.370	-0.001	20	70		DBIDMO
C[NH+](C)CCN1C[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3)CC1=O	ZINC000159917093	375179876	/nfs/dbraw/zinc/17/98/76/375179876.db2.gz	BXIKZLVWROHELT-MELADBBJSA-N	1	1	308.426	-0.251	20	70		DBIDMO
C[NH2+]C[C@@H]1CCCN1C(=O)CN(C)c1ncnc2[nH]cnc21	ZINC000161369889	522048394	/nfs/dbraw/zinc/04/83/94/522048394.db2.gz	XHLSIRXLOXUEAQ-JTQLQIEISA-N	1	1	303.370	-0.001	20	70		DBIDMO
CC[N@H+]1CCC[C@H]1CNC(=O)N1CC[C@H](S(=O)(=O)NC)C1	ZINC000160326825	375561297	/nfs/dbraw/zinc/56/12/97/375561297.db2.gz	CVAXDFKOERURNT-RYUDHWBXSA-N	1	1	318.443	-0.196	20	70		DBIDMO
CC[N@H+]1CCCN(C(=O)NCCC(=O)N2CCOCC2)CC1	ZINC000159580836	375147702	/nfs/dbraw/zinc/14/77/02/375147702.db2.gz	CZRVYGMOXRZXMA-UHFFFAOYSA-N	1	1	312.414	-0.028	20	70		DBIDMO
C[NH+](C)CCN1C[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3)CC1=O	ZINC000159916946	375178654	/nfs/dbraw/zinc/17/86/54/375178654.db2.gz	BXIKZLVWROHELT-MCIONIFRSA-N	1	1	308.426	-0.251	20	70		DBIDMO
C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[C@@H]1NS(C)(=O)=O	ZINC000160407283	378640031	/nfs/dbraw/zinc/64/00/31/378640031.db2.gz	FKSRFNDKNGMMFH-SDDRHHMPSA-N	1	1	303.428	-0.085	20	70		DBIDMO
CC(C)[NH+]1CCN(C(=O)c2ccnc3c(C(N)=O)cnn32)CC1	ZINC000159797013	519680605	/nfs/dbraw/zinc/68/06/05/519680605.db2.gz	GQAKDQPLJZVKLF-UHFFFAOYSA-N	1	1	316.365	-0.006	20	70		DBIDMO
Cn1cnnc1CN1CCC[N@H+](CC(=O)N2CCCC2)CC1	ZINC000160754966	377005091	/nfs/dbraw/zinc/00/50/91/377005091.db2.gz	IZJGTNJKLHHAAZ-UHFFFAOYSA-N	1	1	306.414	-0.055	20	70		DBIDMO
Cn1cnnc1CN1CCC[N@@H+](CC(=O)N2CCCC2)CC1	ZINC000160754966	377005101	/nfs/dbraw/zinc/00/51/01/377005101.db2.gz	IZJGTNJKLHHAAZ-UHFFFAOYSA-N	1	1	306.414	-0.055	20	70		DBIDMO
O=C(Cn1cnnn1)NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1	ZINC000160538398	527411371	/nfs/dbraw/zinc/41/13/71/527411371.db2.gz	MOJAFHBZEPNZJB-KGLIPLIRSA-N	1	1	316.365	-0.575	20	70		DBIDMO
Cc1noc([C@H]2COCCN2CC(=O)N2CC[NH+](C)CC2)n1	ZINC000161192953	376401369	/nfs/dbraw/zinc/40/13/69/376401369.db2.gz	LBLGTOTYMXOPPQ-GFCCVEGCSA-N	1	1	309.370	-0.475	20	70		DBIDMO
C[C@@H](O)C[N@H+]1CCN(C(=O)CNC(=O)c2cccnc2)C[C@H]1C	ZINC000161214174	525789946	/nfs/dbraw/zinc/78/99/46/525789946.db2.gz	FQUYIHACPKOCTF-CHWSQXEVSA-N	1	1	320.393	-0.275	20	70		DBIDMO
CC[N@H+]1CCC[C@@H]1CNC(=O)N1CC[C@H](S(=O)(=O)NC)C1	ZINC000160326708	375560909	/nfs/dbraw/zinc/56/09/09/375560909.db2.gz	CVAXDFKOERURNT-NEPJUHHUSA-N	1	1	318.443	-0.196	20	70		DBIDMO
C[C@@H](NC(N)=O)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1	ZINC000159921086	375179468	/nfs/dbraw/zinc/17/94/68/375179468.db2.gz	IVZBJXCLFUNFNX-LLVKDONJSA-N	1	1	300.403	-0.140	20	70		DBIDMO
CC[C@H](C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)N(C)C	ZINC000159535149	375227459	/nfs/dbraw/zinc/22/74/59/375227459.db2.gz	IUJDGSXCEPXGPJ-CYBMUJFWSA-N	1	1	324.429	-0.160	20	70		DBIDMO
NC(=O)[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CCO1	ZINC000160865521	376386088	/nfs/dbraw/zinc/38/60/88/376386088.db2.gz	MDALTYARTWDGFR-YPMHNXCESA-N	1	1	310.398	-0.101	20	70		DBIDMO
CN(CC(=O)N1CCOCC1)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1	ZINC000160647703	379656814	/nfs/dbraw/zinc/65/68/14/379656814.db2.gz	XELSMDKMFXDSJD-CQSZACIVSA-N	1	1	324.425	-0.029	20	70		DBIDMO
CN(CC(=O)N1CCOCC1)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1	ZINC000160647794	379657424	/nfs/dbraw/zinc/65/74/24/379657424.db2.gz	XELSMDKMFXDSJD-AWEZNQCLSA-N	1	1	324.425	-0.029	20	70		DBIDMO
CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)Cn1ccc(=O)n(C)c1=O	ZINC000160560505	519722041	/nfs/dbraw/zinc/72/20/41/519722041.db2.gz	ORLVLCUTRDGONY-CYBMUJFWSA-N	1	1	322.409	-0.216	20	70		DBIDMO