smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(N2CCN(C[C@@H](O)CN3CCCN(c4nc(C)ns4)CC3)CC2)cc1	ZINC000095466761	569371034	/nfs/dbraw/zinc/37/10/34/569371034.db2.gz	OKDZVRGBKAMJHH-FQEVSTJZSA-N	0	3	446.621	1.550	50	10		IDCAHN
COc1ccc(CN2CCc3nnc([C@@H](NC(=O)[C@@H]4CCOC4)C(C)C)n3CC2)c(O)c1	ZINC000012244792	524039895	/nfs/dbraw/zinc/03/98/95/524039895.db2.gz	WHWZXGXYNLNGMK-UTKZUKDTSA-N	0	3	443.548	1.900	50	10		IDCAHN
CCOC(=O)c1cnn2c1[nH]c(CN1CCC(C)(CN3CCN(C)CC3)CC1)cc2=O	ZINC000096014161	569380395	/nfs/dbraw/zinc/38/03/95/569380395.db2.gz	OEKKFXIRILAERN-UHFFFAOYSA-N	0	3	430.553	1.461	50	10		IDCAHN
COc1ccc(CN2CCc3nnc([C@H](NC(=O)[C@@H]4CCOC4)C(C)C)n3CC2)c(O)c1	ZINC000012244793	524039638	/nfs/dbraw/zinc/03/96/38/524039638.db2.gz	WHWZXGXYNLNGMK-DYESRHJHSA-N	0	3	443.548	1.900	50	10		IDCAHN
CCOc1cccc(CN2CCc3nnc([C@@H](NS(C)(=O)=O)C(C)C)n3CC2)c1O	ZINC000019744958	556891814	/nfs/dbraw/zinc/89/18/14/556891814.db2.gz	HMCNSWQLKSTIGA-SFHVURJKSA-N	0	3	437.566	1.687	50	10		IDCAHN
O=C(NCCc1nnc2n1CCN(Cc1ccc(N3CCCC3)cc1)CC2)[C@H]1CCCO1	ZINC000020601772	526464304	/nfs/dbraw/zinc/46/43/04/526464304.db2.gz	UEILCFSMNHMOGM-OAQYLSRUSA-N	0	3	438.576	1.774	50	10		IDCAHN
CN(C)CCNC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCc2ccccc2C1	ZINC000036683765	569132653	/nfs/dbraw/zinc/13/26/53/569132653.db2.gz	IHGSQVVKESVBRA-QHCPKHFHSA-N	0	3	437.588	1.646	50	10		IDCAHN
CN(C)[C@H](CNC(=O)C(=O)NCc1ccc2c(c1)OCO2)c1ccc2c(c1)CCCN2C	ZINC000013008606	132341874	/nfs/dbraw/zinc/34/18/74/132341874.db2.gz	AONYYFIDXCNSPJ-HXUWFJFHSA-N	0	3	438.528	1.833	50	10		IDCAHN
CCOc1cccc(CN2CCc3nnc(CCNC(=O)c4cccnc4)n3CC2)c1O	ZINC000023128911	557065928	/nfs/dbraw/zinc/06/59/28/557065928.db2.gz	SWCDOHMSZMPGSO-UHFFFAOYSA-N	0	3	436.516	1.808	50	10		IDCAHN
COc1ccc(N2CCN(C[C@H](O)CN3CCCN(c4nc(C)ns4)CC3)CC2)cc1	ZINC000108172157	557541963	/nfs/dbraw/zinc/54/19/63/557541963.db2.gz	OKDZVRGBKAMJHH-HXUWFJFHSA-N	0	3	446.621	1.550	50	10		IDCAHN
CCOc1cccc(CN2CCc3nnc([C@H](NS(C)(=O)=O)C(C)C)n3CC2)c1O	ZINC000019744960	556891779	/nfs/dbraw/zinc/89/17/79/556891779.db2.gz	HMCNSWQLKSTIGA-GOSISDBHSA-N	0	3	437.566	1.687	50	10		IDCAHN
CN(C)CCNC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCc2ccccc2C1	ZINC000036683767	569132618	/nfs/dbraw/zinc/13/26/18/569132618.db2.gz	IHGSQVVKESVBRA-HSZRJFAPSA-N	0	3	437.588	1.646	50	10		IDCAHN
CN(C)[C@@H](CNC(=O)C(=O)NCc1ccc2c(c1)OCO2)c1ccc2c(c1)CCCN2C	ZINC000013008603	536123104	/nfs/dbraw/zinc/12/31/04/536123104.db2.gz	AONYYFIDXCNSPJ-FQEVSTJZSA-N	0	3	438.528	1.833	50	10		IDCAHN
COc1ccc(N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3N3CCNCC3)CC2)cc1	ZINC000004688191	132272702	/nfs/dbraw/zinc/27/27/02/132272702.db2.gz	IHCYLMGFAKCPNQ-UHFFFAOYSA-N	0	3	425.489	1.975	50	10		IDCAHN
O=C(NCCc1nnc2n1CCN(Cc1ccc(N3CCCC3)cc1)CC2)[C@@H]1CCCO1	ZINC000020601771	526464963	/nfs/dbraw/zinc/46/49/63/526464963.db2.gz	UEILCFSMNHMOGM-NRFANRHFSA-N	0	3	438.576	1.774	50	10		IDCAHN
CCn1c2c(C(=O)N3CCN(c4ccc(OC)cc4)CC3)cnn2c(=O)c2c1CCNC2	ZINC000064966169	569001214	/nfs/dbraw/zinc/00/12/14/569001214.db2.gz	PAMQAKHMHFNMAX-UHFFFAOYSA-N	0	3	436.516	1.133	50	10		IDCAHN