smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#Cc1ccccc1C[N@H+]1CC[C@@H](c2ccnc(-c3ccncc3)c2)C1	ZINC000065466429	564134339	/nfs/dbraw/zinc/13/43/39/564134339.db2.gz	LADFUUYHCAHDIA-OAQYLSRUSA-N	1	1	340.430	4.005	10	30		EIEEMO
N#CCCCOc1cccc(C[N@H+]2CCC[C@@H](c3nccs3)C2)c1	ZINC000092788641	1039591775	/nfs/dbraw/zinc/59/17/75/1039591775.db2.gz	TYKYAMXAAGVPBW-QGZVFWFLSA-N	1	1	341.480	4.205	10	30		EIEEMO
CCN(CC)c1ccc(/C=[NH+]/NC(=S)Nc2ccc(C)cc2)cc1	ZINC000000499170	520882459	/nfs/dbraw/zinc/88/24/59/520882459.db2.gz	IMEZMUGQBLFGLK-XSFVSMFZSA-N	1	1	340.496	4.162	10	30		EIEEMO
N#CCCCOc1cccc(C[N@H+]2CCC[C@H](c3nccs3)C2)c1	ZINC000092788640	1039588299	/nfs/dbraw/zinc/58/82/99/1039588299.db2.gz	TYKYAMXAAGVPBW-KRWDZBQOSA-N	1	1	341.480	4.205	10	30		EIEEMO
N#Cc1ccccc1C[N@H+]1CC[C@H](c2ccnc(-c3ccncc3)c2)C1	ZINC000065466426	564134358	/nfs/dbraw/zinc/13/43/58/564134358.db2.gz	LADFUUYHCAHDIA-NRFANRHFSA-N	1	1	340.430	4.005	10	30		EIEEMO
Cc1ccc(C[NH+]2CCN(/N=C/C=C\c3ccccc3)CC2)c(C)c1	ZINC000033749447	524454112	/nfs/dbraw/zinc/45/41/12/524454112.db2.gz	QGVJEJVKSHEMCS-GSDRVJGFSA-N	1	1	333.479	4.120	10	30		EIEEMO
CCN(CC)c1ccc(/C=[NH+]\NC(=S)Nc2ccc(C)cc2)cc1	ZINC000033319390	520885243	/nfs/dbraw/zinc/88/52/43/520885243.db2.gz	IMEZMUGQBLFGLK-ZHZULCJRSA-N	1	1	340.496	4.162	10	30		EIEEMO
C[C@@H]1CCC[C@H](C)[N@@H+]1CC#C[C@](O)(c1ccccc1)C1CCCC1	ZINC000230227475	564155176	/nfs/dbraw/zinc/15/51/76/564155176.db2.gz	ATYQNPRNSQFWAE-JQVVWYNYSA-N	1	1	325.496	4.331	10	30		EIEEMO
C=CCC1(CC=C)CCC[N@@H+]1Cc1nc(Cc2ccccc2F)no1	ZINC000012297841	211334745	/nfs/dbraw/zinc/33/47/45/211334745.db2.gz	JLGRTBDXRKDEHV-UHFFFAOYSA-N	1	1	341.430	4.286	10	30		EIEEMO
C=CCC[C@@H](O)C[N@@H+](Cc1ccc(F)cc1)Cc1cccc(OC)c1	ZINC000036098542	564096006	/nfs/dbraw/zinc/09/60/06/564096006.db2.gz	SKEYDULTDWUJFJ-HXUWFJFHSA-N	1	1	343.442	4.164	10	30		EIEEMO
C=CCC[C@H](C[N@H+](C)Cc1cccnc1)Oc1nccc2ccccc21	ZINC000072470045	564063841	/nfs/dbraw/zinc/06/38/41/564063841.db2.gz	JBZVODPBPLLMTI-HXUWFJFHSA-N	1	1	347.462	4.475	10	30		EIEEMO
CCCCCCCCCCCCC/C=C/[C@@H](O)[C@@H]([NH3+])C(=O)OCC	ZINC000072399815	216193980	/nfs/dbraw/zinc/19/39/80/216193980.db2.gz	WZDBTOQQJCFLPW-JKGAWAGISA-N	1	1	341.536	4.495	10	30	in-vitro	EIEEMO
C=CCC[C@@H](C[N@H+](C)Cc1cccnc1)Oc1nccc2ccccc21	ZINC000072470047	564063821	/nfs/dbraw/zinc/06/38/21/564063821.db2.gz	JBZVODPBPLLMTI-FQEVSTJZSA-N	1	1	347.462	4.475	10	30		EIEEMO
C=CCC[C@H](O)C[N@@H+](Cc1ccc(F)cc1)Cc1cccc(OC)c1	ZINC000036098544	564096012	/nfs/dbraw/zinc/09/60/12/564096012.db2.gz	SKEYDULTDWUJFJ-FQEVSTJZSA-N	1	1	343.442	4.164	10	30		EIEEMO
CCCCCCCCC(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C	ZINC000116246208	1030782365	/nfs/dbraw/zinc/78/23/65/1030782365.db2.gz	CQIJQKPSILPITR-AZUAARDMSA-N	1	1	345.531	4.159	10	30		EIEEMO
CO/N=C/[C@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(Cl)c(Cl)c1)[N@H+]2C	ZINC000003945986	210094181	/nfs/dbraw/zinc/09/41/81/210094181.db2.gz	NRLIFEGHTNUYFL-QJDHNRDASA-N	1	1	327.255	4.192	10	30	investigational	EIEEMO
CCC(=[NH+]Nc1ccc(F)cc1)c1ccc(N2CCOCC2)c(F)c1	ZINC000020551518	520176644	/nfs/dbraw/zinc/17/66/44/520176644.db2.gz	NDHPXXUXECWCRA-NKFKGCMQSA-N	1	1	345.393	4.028	10	30		EIEEMO
Cc1ccc(C[NH+]2CCN(/N=C/c3cccc(Cl)c3)CC2)c(C)c1	ZINC000019791050	212067781	/nfs/dbraw/zinc/06/77/81/212067781.db2.gz	JJWHTBQHMIFFKB-HYARGMPZSA-N	1	1	341.886	4.109	10	30		EIEEMO
CCCCCCCCC(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C	ZINC000116246212	1030781933	/nfs/dbraw/zinc/78/19/33/1030781933.db2.gz	CQIJQKPSILPITR-ICSRJNTNSA-N	1	1	345.531	4.159	10	30		EIEEMO
CCSc1nc2c(c(-c3ccccc3Cl)c1C#N)C[N@@H+](C)CC2	ZINC000040570041	213352648	/nfs/dbraw/zinc/35/26/48/213352648.db2.gz	GTJNAHCOJXFADC-UHFFFAOYSA-N	1	1	343.883	4.374	10	30		EIEEMO