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)Cc1ccc(CN2C[C@H]3CC[C@@H](C2)[C@H]3O)s1	ZINC000216907891	376168085	/nfs/dbraw/zinc/16/80/85/376168085.db2.gz	OWLDXYFFSYOASU-VIKVFOODSA-N	0	3	279.449	3.149	50	70		CGIAHN
Cc1c2cc(C)ccc2oc1CN1CCN(C)[C@@H](C)C1	ZINC000217586503	376177183	/nfs/dbraw/zinc/17/71/83/376177183.db2.gz	CLGCXEHNQYUHQE-ZDUSSCGKSA-N	0	3	272.392	3.186	50	70		CGIAHN
CCn1cc(C2CCN(Cc3ccc(OC)cc3)CC2)cn1	ZINC000160459921	372250399	/nfs/dbraw/zinc/25/03/99/372250399.db2.gz	IUWOETPFHGQBSS-UHFFFAOYSA-N	0	3	299.418	3.291	50	70		CGIAHN
COc1ccc(CN2CC[C@@H](CNc3ccccn3)C2)cc1	ZINC000160904780	372287637	/nfs/dbraw/zinc/28/76/37/372287637.db2.gz	STJSPPTWUKQNDG-INIZCTEOSA-N	0	3	297.402	3.024	50	70		CGIAHN
CCCCOc1ccc(CN2C[C@H]3CC[C@@H](C2)[C@H]3O)cc1	ZINC000217697774	376180304	/nfs/dbraw/zinc/18/03/04/376180304.db2.gz	VEWLHKOYWBCRMH-VQFNDLOPSA-N	0	3	289.419	3.068	50	70		CGIAHN
CCCCc1ccc(CN2CCN(C)[C@@H](C)C2)s1	ZINC000217963958	392996235	/nfs/dbraw/zinc/99/62/35/392996235.db2.gz	PNUSLUNKRALEHO-ZDUSSCGKSA-N	0	3	266.454	3.227	50	70		CGIAHN
COc1ccc(CN2CC[C@H](CNc3ccccn3)C2)cc1	ZINC000160904641	372288057	/nfs/dbraw/zinc/28/80/57/372288057.db2.gz	STJSPPTWUKQNDG-MRXNPFEDSA-N	0	3	297.402	3.024	50	70		CGIAHN
CCCC[C@@H]1CCCN1Cc1cc(C(C)=O)cn1C	ZINC000217946380	376181758	/nfs/dbraw/zinc/18/17/58/376181758.db2.gz	NOCIXUDWWOOYLC-OAHLLOKOSA-N	0	3	262.397	3.382	50	70		CGIAHN
Cc1n[nH]cc1CCCNCc1ccc(Cl)cc1F	ZINC000160806505	372277446	/nfs/dbraw/zinc/27/74/46/372277446.db2.gz	WNPPWRKGCIHCGA-UHFFFAOYSA-N	0	3	281.762	3.233	50	70		CGIAHN
CCCc1ccc(CN2C[C@H]3CC[C@@H](C2)[C@H]3OC)o1	ZINC000217375633	376172438	/nfs/dbraw/zinc/17/24/38/376172438.db2.gz	OOXHNKBDEPWMHP-VIKVFOODSA-N	0	3	263.381	3.089	50	70		CGIAHN
Cc1ccc2ncccc2c1CN1CCN(C(C)C)[C@@H](C)C1	ZINC000217597465	376176807	/nfs/dbraw/zinc/17/68/07/376176807.db2.gz	KJOWMQMAGFFDFY-INIZCTEOSA-N	0	3	297.446	3.458	50	70		CGIAHN
Cc1cc(N[C@@H]2C[C@@H]3OCC[C@H]23)c2ccccc2n1	ZINC000217724456	392995930	/nfs/dbraw/zinc/99/59/30/392995930.db2.gz	WZVANSULPAXWLY-WQVCFCJDSA-N	0	3	254.333	3.133	50	70		CGIAHN
CCCC[C@H]1CCCN1Cc1cc(C(C)=O)cn1C	ZINC000217946457	392996426	/nfs/dbraw/zinc/99/64/26/392996426.db2.gz	NOCIXUDWWOOYLC-HNNXBMFYSA-N	0	3	262.397	3.382	50	70		CGIAHN