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)(C)C(=O)N1CCC(CN2CCc3c4ccccc4[nH]c3C2)CC1	ZINC000161133214	567875153	/nfs/dbraw/zinc/87/51/53/567875153.db2.gz	OTRVHLOKVSNOIX-UHFFFAOYSA-N	0	1	353.510	3.811	20	70		FHIDMN
CC(C)[C@@H]1CN(C)CCN1C(=O)N[C@@H](C)c1nc(-c2ccccc2)cs1	ZINC000159372239	568216272	/nfs/dbraw/zinc/21/62/72/568216272.db2.gz	UZEHWLLYVHIWIW-YJBOKZPZSA-N	0	1	372.538	3.853	20	70		FHIDMN
CC(C)CCN(C(=O)NC1CCN([C@H](C)c2ccncc2)CC1)C1CC1	ZINC000161335306	567910904	/nfs/dbraw/zinc/91/09/04/567910904.db2.gz	VVDGTFCHMNYWKQ-QGZVFWFLSA-N	0	1	358.530	3.827	20	70		FHIDMN
CC(C)[C@H]1CN(C)CCN1C(=O)N[C@@H](C)c1nc(-c2ccccc2)cs1	ZINC000159372378	568216347	/nfs/dbraw/zinc/21/63/47/568216347.db2.gz	UZEHWLLYVHIWIW-MAUKXSAKSA-N	0	1	372.538	3.853	20	70		FHIDMN
O=C(Nc1cccc(OCc2cccnc2)c1)c1cccc(-c2nnc[nH]2)c1	ZINC000160941357	567837634	/nfs/dbraw/zinc/83/76/34/567837634.db2.gz	PYIULVFABFDHBB-UHFFFAOYSA-N	0	1	371.400	3.698	20	70		FHIDMN
Cc1cccc2nc(CCC(=O)N[C@@H]3CCOC4(CCCCC4)C3)[nH]c21	ZINC000160945976	567839183	/nfs/dbraw/zinc/83/91/83/567839183.db2.gz	KTAAZCXYROXBJI-MRXNPFEDSA-N	0	1	355.482	3.802	20	70		FHIDMN
O=C(NC1CCN(Cc2ccccc2F)CC1)c1c(F)cc(F)cc1F	ZINC000161090337	567864669	/nfs/dbraw/zinc/86/46/69/567864669.db2.gz	FCWPAULTOOXVJT-UHFFFAOYSA-N	0	1	366.358	3.637	20	70		FHIDMN
C[C@H](c1ccncc1)N1CCC(NC(=O)N(C2CC2)C2CCCC2)CC1	ZINC000161164916	567876883	/nfs/dbraw/zinc/87/68/83/567876883.db2.gz	HLTUZKYCJUWXDU-MRXNPFEDSA-N	0	1	356.514	3.724	20	70		FHIDMN
CC(C)CCN(C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1)C1CC1	ZINC000161335183	567910713	/nfs/dbraw/zinc/91/07/13/567910713.db2.gz	VVDGTFCHMNYWKQ-KRWDZBQOSA-N	0	1	358.530	3.827	20	70		FHIDMN
Cc1cccc2nc(CCC(=O)N[C@H]3CCOC4(CCCCC4)C3)[nH]c21	ZINC000160946108	567839124	/nfs/dbraw/zinc/83/91/24/567839124.db2.gz	KTAAZCXYROXBJI-INIZCTEOSA-N	0	1	355.482	3.802	20	70		FHIDMN
CN(C(=O)c1cccc(-c2nnc[nH]2)c1)[C@H](c1ccccc1)c1ccccn1	ZINC000160907688	567832515	/nfs/dbraw/zinc/83/25/15/567832515.db2.gz	HJKMEUMWXYGTMN-HXUWFJFHSA-N	0	1	369.428	3.728	20	70		FHIDMN
O=C(COc1ccccc1CN[C@H]1CCCc2sccc21)N1CCCC1	ZINC000160960308	567841397	/nfs/dbraw/zinc/84/13/97/567841397.db2.gz	UHGZHQOLDOJWKN-SFHVURJKSA-N	0	1	370.518	3.917	20	70		FHIDMN
C[C@@H](c1ccncc1)N1CCC(NC(=O)N(C2CC2)C2CCCC2)CC1	ZINC000161164810	567876801	/nfs/dbraw/zinc/87/68/01/567876801.db2.gz	HLTUZKYCJUWXDU-INIZCTEOSA-N	0	1	356.514	3.724	20	70		FHIDMN
Cc1cc(C)n2c(CN3CCC(c4nc5ccccc5o4)CC3)cnc2n1	ZINC000161058251	567854085	/nfs/dbraw/zinc/85/40/85/567854085.db2.gz	KGQBDFVDWUJORT-UHFFFAOYSA-N	0	1	361.449	3.867	20	70		FHIDMN
CN(C(=O)c1cccc(-c2nnc[nH]2)c1)[C@@H](c1ccccc1)c1ccccn1	ZINC000160907552	567832501	/nfs/dbraw/zinc/83/25/01/567832501.db2.gz	HJKMEUMWXYGTMN-FQEVSTJZSA-N	0	1	369.428	3.728	20	70		FHIDMN
O=C(NC1CCN(Cc2ccc(F)cc2)CC1)c1c(F)cc(F)cc1F	ZINC000161080824	567863062	/nfs/dbraw/zinc/86/30/62/567863062.db2.gz	PHKPSADNTSLPDO-UHFFFAOYSA-N	0	1	366.358	3.637	20	70		FHIDMN
COC(=O)c1cc(C[N@@H+](C)CCCC(=O)Nc2c(C)cccc2C)oc1C	ZINC000159405230	568260870	/nfs/dbraw/zinc/26/08/70/568260870.db2.gz	FSPUQCFVXKFSQB-UHFFFAOYSA-N	0	1	372.465	3.842	20	70		FHIDMN
O=C(COc1ccccc1CN[C@@H]1CCCc2sccc21)N1CCCC1	ZINC000160960159	567841416	/nfs/dbraw/zinc/84/14/16/567841416.db2.gz	UHGZHQOLDOJWKN-GOSISDBHSA-N	0	1	370.518	3.917	20	70		FHIDMN
CCc1nc(-c2ccccc2NC(=O)CCc2nc3cccc(C)c3[nH]2)n[nH]1	ZINC000161263955	567893343	/nfs/dbraw/zinc/89/33/43/567893343.db2.gz	ZXNXBBSHKDZDRI-UHFFFAOYSA-N	0	1	374.448	3.790	20	70		FHIDMN