smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nccc3ccc(C#N)cc31)CC2	ZINC001164663796	719349255	/nfs/dbraw/zinc/34/92/55/719349255.db2.gz	LXGYXDQVOHNEDZ-UHFFFAOYSA-N	1	2	448.574	4.801	20	30		IJEDLO
CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nccc3ccc(C#N)cc31)CC2	ZINC001164663796	719349257	/nfs/dbraw/zinc/34/92/57/719349257.db2.gz	LXGYXDQVOHNEDZ-UHFFFAOYSA-N	1	2	448.574	4.801	20	30		IJEDLO
CCCc1cc(C#N)c(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)nc1Cl	ZINC001164672541	719512208	/nfs/dbraw/zinc/51/22/08/719512208.db2.gz	JWHMNCNKWXTIPO-UHFFFAOYSA-N	1	2	442.966	4.570	20	30		IJEDLO
CCCc1cc(C#N)c(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)nc1Cl	ZINC001164672541	719512212	/nfs/dbraw/zinc/51/22/12/719512212.db2.gz	JWHMNCNKWXTIPO-UHFFFAOYSA-N	1	2	442.966	4.570	20	30		IJEDLO
CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(C#N)c3ccccc3n1)CC2	ZINC001164658981	719353803	/nfs/dbraw/zinc/35/38/03/719353803.db2.gz	OIYOHPXFDWGUAN-UHFFFAOYSA-N	1	2	448.574	4.801	20	30		IJEDLO
CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(C#N)c3ccccc3n1)CC2	ZINC001164658981	719353806	/nfs/dbraw/zinc/35/38/06/719353806.db2.gz	OIYOHPXFDWGUAN-UHFFFAOYSA-N	1	2	448.574	4.801	20	30		IJEDLO
Cc1c(Cl)c(Cl)nc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)c1C#N	ZINC001164673909	719498789	/nfs/dbraw/zinc/49/87/89/719498789.db2.gz	UXPCDKMAIHJRAT-UHFFFAOYSA-N	1	2	449.357	4.579	20	30		IJEDLO
Cc1c(Cl)c(Cl)nc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)c1C#N	ZINC001164673909	719498793	/nfs/dbraw/zinc/49/87/93/719498793.db2.gz	UXPCDKMAIHJRAT-UHFFFAOYSA-N	1	2	449.357	4.579	20	30		IJEDLO
CC1(C)CCCc2cc(C#N)c(N3CCC4(CC3)COCC[N@@H+]4Cc3ccc(F)cc3)nc21	ZINC001164677347	719532550	/nfs/dbraw/zinc/53/25/50/719532550.db2.gz	CTTVVAZCRWFCMG-UHFFFAOYSA-N	1	2	448.586	4.578	20	30		IJEDLO
CC1(C)CCCc2cc(C#N)c(N3CCC4(CC3)COCC[N@H+]4Cc3ccc(F)cc3)nc21	ZINC001164677347	719532562	/nfs/dbraw/zinc/53/25/62/719532562.db2.gz	CTTVVAZCRWFCMG-UHFFFAOYSA-N	1	2	448.586	4.578	20	30		IJEDLO
CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(C(C)C)ccc1C#N)CC2	ZINC001164664193	719346099	/nfs/dbraw/zinc/34/60/99/719346099.db2.gz	UATIMXUSECBPKL-UHFFFAOYSA-N	1	2	440.595	4.771	20	30		IJEDLO
CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(C(C)C)ccc1C#N)CC2	ZINC001164664193	719346101	/nfs/dbraw/zinc/34/61/01/719346101.db2.gz	UATIMXUSECBPKL-UHFFFAOYSA-N	1	2	440.595	4.771	20	30		IJEDLO
N#Cc1ccc(-c2cccs2)nc1N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1	ZINC001164670199	719523501	/nfs/dbraw/zinc/52/35/01/719523501.db2.gz	BOMPPVDQPUQTNU-UHFFFAOYSA-N	1	2	448.567	4.692	20	30		IJEDLO
N#Cc1ccc(-c2cccs2)nc1N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1	ZINC001164670199	719523518	/nfs/dbraw/zinc/52/35/18/719523518.db2.gz	BOMPPVDQPUQTNU-UHFFFAOYSA-N	1	2	448.567	4.692	20	30		IJEDLO
CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)cc(C)c1C#N)CC2	ZINC001164664549	719346114	/nfs/dbraw/zinc/34/61/14/719346114.db2.gz	XZISUIDKRFLDIO-UHFFFAOYSA-N	1	2	446.986	4.610	20	30		IJEDLO
CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)cc(C)c1C#N)CC2	ZINC001164664549	719346115	/nfs/dbraw/zinc/34/61/15/719346115.db2.gz	XZISUIDKRFLDIO-UHFFFAOYSA-N	1	2	446.986	4.610	20	30		IJEDLO