smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccccc1Oc1ccc(Cl)cc1NC(=O)[C@@H]1CCCN(C)C1	ZINC000216917897	206360358	/nfs/dbraw/zinc/36/03/58/206360358.db2.gz	AXYDLCXJAGVKMX-CQSZACIVSA-N	0	3	374.868	4.421	40	70		FIIBHN
CN1CCC(NC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)CC1	ZINC000216929621	206360762	/nfs/dbraw/zinc/36/07/62/206360762.db2.gz	BKUTZRNZPZJDIX-XDJHFCHBSA-N	0	3	354.881	4.091	40	70		FIIBHN
CC(C)Oc1ccc(C(=O)Nc2ccc(OC3CCN(C)CC3)cc2)cc1	ZINC000217013377	519778922	/nfs/dbraw/zinc/77/89/22/519778922.db2.gz	WVTRCIVRUDVLQQ-UHFFFAOYSA-N	0	3	368.477	4.199	40	70		FIIBHN
Cc1ccc(/C=C/C(=O)Nc2ccc(OC3CCN(C)CC3)cc2)cc1	ZINC000216931310	206361330	/nfs/dbraw/zinc/36/13/30/206361330.db2.gz	ZEDZOODWRBFCKJ-KPKJPENVSA-N	0	3	350.462	4.120	40	70		FIIBHN
C[C@@H](Sc1ccccc1)C(=O)Nc1ccc(OC2CCN(C)CC2)cc1	ZINC000216929262	525993170	/nfs/dbraw/zinc/99/31/70/525993170.db2.gz	XHYUJJZECPOQQJ-MRXNPFEDSA-N	0	3	370.518	4.279	40	70		FIIBHN
CN1CCC(Oc2ccc(NC(=O)/C=C/c3ccccc3Cl)cc2)CC1	ZINC000216926543	523782032	/nfs/dbraw/zinc/78/20/32/523782032.db2.gz	PREZQMZZWNTDIW-IZZDOVSWSA-N	0	3	370.880	4.465	40	70		FIIBHN
CN1CCC(Oc2ccc(CNC(=O)Nc3ccc(Cl)cc3)cc2)CC1	ZINC000217037312	523782984	/nfs/dbraw/zinc/78/29/84/523782984.db2.gz	CNNHSJJYEKRWAC-UHFFFAOYSA-N	0	3	373.884	4.135	40	70		FIIBHN
COc1ccccc1Oc1ccc(Cl)cc1NC(=O)C1CCN(C)CC1	ZINC000216924205	568154850	/nfs/dbraw/zinc/15/48/50/568154850.db2.gz	IGTDTHWIBDITTB-UHFFFAOYSA-N	0	3	374.868	4.421	40	70		FIIBHN
CN1CCC(Oc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)CC1	ZINC000217037259	568139145	/nfs/dbraw/zinc/13/91/45/568139145.db2.gz	NJXVJBASVKVXEH-UHFFFAOYSA-N	0	3	359.857	4.457	40	70		FIIBHN
CN1CCC(Oc2ccc(NC(=O)/C=C/c3ccc(Cl)cc3)cc2)CC1	ZINC000216927589	568155456	/nfs/dbraw/zinc/15/54/56/568155456.db2.gz	ANZZRRNDXIUNIT-NYYWCZLTSA-N	0	3	370.880	4.465	40	70		FIIBHN
Cc1ccc(SCC(=O)Nc2ccc(OC3CCN(C)CC3)cc2)cc1	ZINC000216927791	525647467	/nfs/dbraw/zinc/64/74/67/525647467.db2.gz	HAUCAMDDHXYWRP-UHFFFAOYSA-N	0	3	370.518	4.199	40	70		FIIBHN
CN1CCC(CC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)CC1	ZINC000216897267	568151929	/nfs/dbraw/zinc/15/19/29/568151929.db2.gz	HYWHYOQADFBVOX-UHFFFAOYSA-N	0	3	370.880	4.241	40	70		FIIBHN
CN1CCC(C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)CC1	ZINC000216921451	568154448	/nfs/dbraw/zinc/15/44/48/568154448.db2.gz	XXEAYYYFGXJXCM-UHFFFAOYSA-N	0	3	352.522	4.435	40	70		FIIBHN
C[C@H](Sc1ccccc1)C(=O)Nc1ccc(OC2CCN(C)CC2)cc1	ZINC000216929282	525993122	/nfs/dbraw/zinc/99/31/22/525993122.db2.gz	XHYUJJZECPOQQJ-INIZCTEOSA-N	0	3	370.518	4.279	40	70		FIIBHN
COc1ccccc1Oc1ccc(Cl)cc1NC(=O)[C@H]1CCCN(C)C1	ZINC000216917918	568153948	/nfs/dbraw/zinc/15/39/48/568153948.db2.gz	AXYDLCXJAGVKMX-AWEZNQCLSA-N	0	3	374.868	4.421	40	70		FIIBHN
CN1CCC(Oc2ccc(CNC(=O)Nc3cccc(Cl)c3)cc2)CC1	ZINC000217037187	523782258	/nfs/dbraw/zinc/78/22/58/523782258.db2.gz	BTGHEPNIINTYTK-UHFFFAOYSA-N	0	3	373.884	4.135	40	70		FIIBHN