smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(OCC(N)=O)c2cccc(C)c2[nH+]1	ZINC000217445043	178210068	/nfs/dbraw/zinc/21/00/68/178210068.db2.gz	DHSQEZOXPZSKGH-UHFFFAOYSA-N	1	2	230.267	1.716	50	70		BDIALO
Cc1c[nH]c(C(=O)N(C)Cc2[nH]cc(C)[nH+]2)n1	ZINC000217498822	385884981	/nfs/dbraw/zinc/88/49/81/385884981.db2.gz	KUJOONIHKBDAJD-UHFFFAOYSA-N	1	2	233.275	1.022	50	70		BDIALO
Cc1ccc(C)n1CC(=O)NCCn1cc[nH+]c1	ZINC000218492606	385902182	/nfs/dbraw/zinc/90/21/82/385902182.db2.gz	PNHLZIUBCKRHPU-UHFFFAOYSA-N	1	2	246.314	1.118	50	70		BDIALO
Cn1cnnc1C[N@@H+]1CCc2ccccc2C1	ZINC000160667863	357165471	/nfs/dbraw/zinc/16/54/71/357165471.db2.gz	VIBVHSSJAXMMMX-UHFFFAOYSA-N	1	2	228.299	1.373	50	70		BDIALO
Cn1cnnc1C[N@H+]1CCc2ccccc2C1	ZINC000160667863	357165475	/nfs/dbraw/zinc/16/54/75/357165475.db2.gz	VIBVHSSJAXMMMX-UHFFFAOYSA-N	1	2	228.299	1.373	50	70		BDIALO
OCc1cc2n(n1)CCC[N@H+](Cc1ccco1)C2	ZINC000217632368	183161685	/nfs/dbraw/zinc/16/16/85/183161685.db2.gz	UUKHPSUCEAUDNU-UHFFFAOYSA-N	1	2	247.298	1.374	50	70		BDIALO
OCc1cc2n(n1)CCC[N@@H+](Cc1ccco1)C2	ZINC000217632368	183161688	/nfs/dbraw/zinc/16/16/88/183161688.db2.gz	UUKHPSUCEAUDNU-UHFFFAOYSA-N	1	2	247.298	1.374	50	70		BDIALO
Cc1cc(C)c(CNC(=O)[C@@]2(C)CCCO2)c[nH+]1	ZINC000218420219	385903062	/nfs/dbraw/zinc/90/30/62/385903062.db2.gz	RVKDKMULIXVELK-CQSZACIVSA-N	1	2	248.326	1.884	50	70		BDIALO
Cc1ccc(C)n1CC(=O)NCCc1c[nH+]c[nH]1	ZINC000218422555	385902398	/nfs/dbraw/zinc/90/23/98/385902398.db2.gz	PVKKBXSNMFGDER-UHFFFAOYSA-N	1	2	246.314	1.187	50	70		BDIALO
Cc1ccc(C)n1CC(=O)NCCc1c[nH]c[nH+]1	ZINC000218422555	385902400	/nfs/dbraw/zinc/90/24/00/385902400.db2.gz	PVKKBXSNMFGDER-UHFFFAOYSA-N	1	2	246.314	1.187	50	70		BDIALO
COc1ccc[nH+]c1NCc1cnn(C)c1	ZINC000159448919	175357119	/nfs/dbraw/zinc/35/71/19/175357119.db2.gz	TYFDCRQPDQORHR-UHFFFAOYSA-N	1	2	218.260	1.436	50	70		BDIALO
CC(C)Cc1cc(C[N@@H+]2CCC[C@H]2CO)n[nH]1	ZINC000218748599	191131995	/nfs/dbraw/zinc/13/19/95/191131995.db2.gz	PIBOVFKUMDVPLT-ZDUSSCGKSA-N	1	2	237.347	1.565	50	70		BDIALO
CC(C)Cc1cc(C[N@H+]2CCC[C@H]2CO)n[nH]1	ZINC000218748599	191131998	/nfs/dbraw/zinc/13/19/98/191131998.db2.gz	PIBOVFKUMDVPLT-ZDUSSCGKSA-N	1	2	237.347	1.565	50	70		BDIALO
OCc1cc2n(n1)CCC[N@H+](Cc1ccoc1)C2	ZINC000217023956	183161257	/nfs/dbraw/zinc/16/12/57/183161257.db2.gz	MJNNPFAIHNUJDA-UHFFFAOYSA-N	1	2	247.298	1.374	50	70		BDIALO
OCc1cc2n(n1)CCC[N@@H+](Cc1ccoc1)C2	ZINC000217023956	183161258	/nfs/dbraw/zinc/16/12/58/183161258.db2.gz	MJNNPFAIHNUJDA-UHFFFAOYSA-N	1	2	247.298	1.374	50	70		BDIALO
CN(Cc1[nH]cc[nH+]1)C(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1	ZINC000218642069	411311314	/nfs/dbraw/zinc/31/13/14/411311314.db2.gz	KZFDKKGMZHIFSC-NVRFYQKYSA-N	1	2	245.326	1.660	50	70		BDIALO
CCc1nnc(C[N@@H+](CC)C(C)(C)CO)s1	ZINC000159837800	351011375	/nfs/dbraw/zinc/01/13/75/351011375.db2.gz	VRCNDIJLTOCCGG-UHFFFAOYSA-N	1	2	243.376	1.693	50	70		BDIALO
CCc1nnc(C[N@H+](CC)C(C)(C)CO)s1	ZINC000159837800	351011377	/nfs/dbraw/zinc/01/13/77/351011377.db2.gz	VRCNDIJLTOCCGG-UHFFFAOYSA-N	1	2	243.376	1.693	50	70		BDIALO
Cc1cc(C)c(CNC(=O)[C@]2(C)CCCO2)c[nH+]1	ZINC000218420297	385902541	/nfs/dbraw/zinc/90/25/41/385902541.db2.gz	RVKDKMULIXVELK-AWEZNQCLSA-N	1	2	248.326	1.884	50	70		BDIALO