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]1CCC[N@H+](C)C1	ZINC000216917897	206360350	/nfs/dbraw/zinc/36/03/50/206360350.db2.gz	AXYDLCXJAGVKMX-CQSZACIVSA-N	1	0	374.868	4.421	40	70		FIIBRO
C[N@@H+]1CCC[C@H](C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1	ZINC000216911198	206360546	/nfs/dbraw/zinc/36/05/46/206360546.db2.gz	IWJNWHRMBQYVFC-HJGBXLFDSA-N	1	0	352.522	4.435	40	70		FIIBRO
C[NH+]1CCC(NC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)CC1	ZINC000216929621	206360757	/nfs/dbraw/zinc/36/07/57/206360757.db2.gz	BKUTZRNZPZJDIX-XDJHFCHBSA-N	1	0	354.881	4.091	40	70		FIIBRO
CC(C)Oc1ccc(C(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)cc1	ZINC000217013377	519778921	/nfs/dbraw/zinc/77/89/21/519778921.db2.gz	WVTRCIVRUDVLQQ-UHFFFAOYSA-N	1	0	368.477	4.199	40	70		FIIBRO
Cc1ccc(/C=C/C(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)cc1	ZINC000216931310	206361327	/nfs/dbraw/zinc/36/13/27/206361327.db2.gz	ZEDZOODWRBFCKJ-KPKJPENVSA-N	1	0	350.462	4.120	40	70		FIIBRO
C[C@@H](Sc1ccccc1)C(=O)Nc1ccc(OC2CC[NH+](C)CC2)cc1	ZINC000216929262	525993161	/nfs/dbraw/zinc/99/31/61/525993161.db2.gz	XHYUJJZECPOQQJ-MRXNPFEDSA-N	1	0	370.518	4.279	40	70		FIIBRO
C[NH+]1CCC(Oc2ccc(NC(=O)/C=C/c3ccccc3Cl)cc2)CC1	ZINC000216926543	523782025	/nfs/dbraw/zinc/78/20/25/523782025.db2.gz	PREZQMZZWNTDIW-IZZDOVSWSA-N	1	0	370.880	4.465	40	70		FIIBRO
C[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1	ZINC000216911168	568153380	/nfs/dbraw/zinc/15/33/80/568153380.db2.gz	IWJNWHRMBQYVFC-GYVBGXKYSA-N	1	0	352.522	4.435	40	70		FIIBRO
C[NH+]1CCC(CCNC(=O)c2ccccc2SCc2ccccc2)CC1	ZINC000216944806	523760043	/nfs/dbraw/zinc/76/00/43/523760043.db2.gz	SSECVMXHGCJSOT-UHFFFAOYSA-N	1	0	368.546	4.441	40	70		FIIBRO
C[NH+]1CCC(Oc2ccc(CNC(=O)Nc3ccc(Cl)cc3)cc2)CC1	ZINC000217037312	523782975	/nfs/dbraw/zinc/78/29/75/523782975.db2.gz	CNNHSJJYEKRWAC-UHFFFAOYSA-N	1	0	373.884	4.135	40	70		FIIBRO
COc1ccccc1Oc1ccc(Cl)cc1NC(=O)C1CC[NH+](C)CC1	ZINC000216924205	568154849	/nfs/dbraw/zinc/15/48/49/568154849.db2.gz	IGTDTHWIBDITTB-UHFFFAOYSA-N	1	0	374.868	4.421	40	70		FIIBRO
C[NH+]1CCC(CCNC(=O)c2ccc(CSc3ccccc3)cc2)CC1	ZINC000216928254	523759308	/nfs/dbraw/zinc/75/93/08/523759308.db2.gz	GORKOZPYMXQNPY-UHFFFAOYSA-N	1	0	368.546	4.441	40	70		FIIBRO
C[NH+]1CCC(Oc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)CC1	ZINC000217037259	568139141	/nfs/dbraw/zinc/13/91/41/568139141.db2.gz	NJXVJBASVKVXEH-UHFFFAOYSA-N	1	0	359.857	4.457	40	70		FIIBRO
C[NH+]1CCC(Oc2ccc(NC(=O)/C=C/c3ccc(Cl)cc3)cc2)CC1	ZINC000216927589	568155454	/nfs/dbraw/zinc/15/54/54/568155454.db2.gz	ANZZRRNDXIUNIT-NYYWCZLTSA-N	1	0	370.880	4.465	40	70		FIIBRO
Cc1ccc(SCC(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)cc1	ZINC000216927791	525647454	/nfs/dbraw/zinc/64/74/54/525647454.db2.gz	HAUCAMDDHXYWRP-UHFFFAOYSA-N	1	0	370.518	4.199	40	70		FIIBRO
C[NH+]1CCC(CC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)CC1	ZINC000216897267	568151927	/nfs/dbraw/zinc/15/19/27/568151927.db2.gz	HYWHYOQADFBVOX-UHFFFAOYSA-N	1	0	370.880	4.241	40	70		FIIBRO
C[NH+]1CCC(CCNC(=O)CC(c2ccccc2)c2ccccc2)CC1	ZINC000217016909	523757960	/nfs/dbraw/zinc/75/79/60/523757960.db2.gz	RXSGHQVJHBEGSP-UHFFFAOYSA-N	1	0	350.506	4.057	40	70		FIIBRO
C[C@H](Sc1ccccc1)C(=O)Nc1ccc(OC2CC[NH+](C)CC2)cc1	ZINC000216929282	525993109	/nfs/dbraw/zinc/99/31/09/525993109.db2.gz	XHYUJJZECPOQQJ-INIZCTEOSA-N	1	0	370.518	4.279	40	70		FIIBRO
O=C(OC[C@H]1CCC[N@@H+]2CCCC[C@@H]12)[C@@]12C[C@H]3C[C@@H](C1)C[C@](Cl)(C3)C2	ZINC000217444488	568184137	/nfs/dbraw/zinc/18/41/37/568184137.db2.gz	IJUBJARZEOLNML-YNJLUXMJSA-N	1	0	365.945	4.372	40	70		FIIBRO
COc1ccccc1Oc1ccc(Cl)cc1NC(=O)[C@H]1CCC[N@H+](C)C1	ZINC000216917918	568153946	/nfs/dbraw/zinc/15/39/46/568153946.db2.gz	AXYDLCXJAGVKMX-AWEZNQCLSA-N	1	0	374.868	4.421	40	70		FIIBRO
C[NH+]1CCC(Oc2ccc(CNC(=O)Nc3cccc(Cl)c3)cc2)CC1	ZINC000217037187	523782242	/nfs/dbraw/zinc/78/22/42/523782242.db2.gz	BTGHEPNIINTYTK-UHFFFAOYSA-N	1	0	373.884	4.135	40	70		FIIBRO