smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc2c(c1)[C@@H](NC(=O)C1CCN(C)CC1)CC(C)(C)O2	ZINC000216924447	274131775	/nfs/dbraw/zinc/13/17/75/274131775.db2.gz	PMPKRCCGFQVBIR-INIZCTEOSA-N	0	3	332.444	2.755	40	70		EFIBHN
CN1CCC(CC(=O)Nc2ccccc2C(=O)N2CCCC2)CC1	ZINC000216894386	536337020	/nfs/dbraw/zinc/33/70/20/536337020.db2.gz	OWXPMAZQLLMHJG-UHFFFAOYSA-N	0	3	329.444	2.593	40	70		EFIBHN
CCOc1ccc(CNC(=O)CC2CCN(C)CC2)cc1OCC	ZINC000216898368	241221242	/nfs/dbraw/zinc/22/12/42/241221242.db2.gz	IXQYCRDQWTXMDI-UHFFFAOYSA-N	0	3	334.460	2.832	40	70		EFIBHN
CN1CCC[C@@H](C(=O)Nc2ccccc2C(=O)N2CCCCC2)C1	ZINC000216909991	536362454	/nfs/dbraw/zinc/36/24/54/536362454.db2.gz	WDXSVKRFYJABSF-OAHLLOKOSA-N	0	3	329.444	2.593	40	70		EFIBHN
CC[C@@H](C)NC(=O)c1ccccc1NC(=O)CC1CCN(C)CC1	ZINC000216894618	241217986	/nfs/dbraw/zinc/21/79/86/241217986.db2.gz	RFPRIANAUHOBAH-CQSZACIVSA-N	0	3	331.460	2.885	40	70		EFIBHN
Cc1nccn1-c1ccc(CNC(=O)CC2CCN(C)CC2)cc1	ZINC000216901244	241220702	/nfs/dbraw/zinc/22/07/02/241220702.db2.gz	ZSGJQNISKMJRJO-UHFFFAOYSA-N	0	3	326.444	2.529	40	70		EFIBHN
CCN1CCN(c2ccccc2NC2CCC3(CC2)OCCO3)CC1	ZINC000161115318	473208526	/nfs/dbraw/zinc/20/85/26/473208526.db2.gz	PUPBROYMRPGYOJ-UHFFFAOYSA-N	0	3	345.487	2.926	40	70		EFIBHN
CN1CCC[C@H](C(=O)Nc2ccccc2C(=O)N2CCCCC2)C1	ZINC000216910022	536382282	/nfs/dbraw/zinc/38/22/82/536382282.db2.gz	WDXSVKRFYJABSF-HNNXBMFYSA-N	0	3	329.444	2.593	40	70		EFIBHN
Cc1nccn1-c1ccccc1CNC(=O)CC1CCN(C)CC1	ZINC000216901144	241221021	/nfs/dbraw/zinc/22/10/21/241221021.db2.gz	GFLNZSLQHQLHMG-UHFFFAOYSA-N	0	3	326.444	2.529	40	70		EFIBHN
CCCCNC(=O)c1ccccc1NC(=O)CC1CCN(C)CC1	ZINC000216895944	241217234	/nfs/dbraw/zinc/21/72/34/241217234.db2.gz	ZUAROOKLABUNQG-UHFFFAOYSA-N	0	3	331.460	2.887	40	70		EFIBHN
COC(=O)c1c(NC(=O)C2CCN(C)CC2)sc2c1CCCC2	ZINC000216920565	277417841	/nfs/dbraw/zinc/41/78/41/277417841.db2.gz	WUKJLHPHIDASDI-UHFFFAOYSA-N	0	3	336.457	2.694	40	70		EFIBHN
CN1CCC(C(=O)Nc2ccccc2C(=O)N2CCCCCC2)CC1	ZINC000216921035	536334210	/nfs/dbraw/zinc/33/42/10/536334210.db2.gz	FPZQVGUSGTZMTI-UHFFFAOYSA-N	0	3	343.471	2.983	40	70		EFIBHN
CCOc1ccc(CCC(=O)NC2CCN(C)CC2)cc1OCC	ZINC000217020948	241231353	/nfs/dbraw/zinc/23/13/53/241231353.db2.gz	PHUSBBFUQLUITK-UHFFFAOYSA-N	0	3	334.460	2.627	40	70		EFIBHN
COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)C1CCN(C)CC1	ZINC000216924497	564034024	/nfs/dbraw/zinc/03/40/24/564034024.db2.gz	SDUWKAHLBOHNLB-INIZCTEOSA-N	0	3	332.444	2.755	40	70		EFIBHN
CC(C)CNC(=O)c1ccccc1NC(=O)CC1CCN(C)CC1	ZINC000216894495	241217651	/nfs/dbraw/zinc/21/76/51/241217651.db2.gz	UNTZJHKTXFORSN-UHFFFAOYSA-N	0	3	331.460	2.743	40	70		EFIBHN
CN1CCC(CC(=O)Nc2ccccc2C(=O)NC(C)(C)C)CC1	ZINC000216897108	536336345	/nfs/dbraw/zinc/33/63/45/536336345.db2.gz	YIXBNMFDOBFHLO-UHFFFAOYSA-N	0	3	331.460	2.885	40	70		EFIBHN
COc1ccc2c(c1)[C@H](NC(=O)C1CCN(C)CC1)CC(C)(C)O2	ZINC000216924469	564034018	/nfs/dbraw/zinc/03/40/18/564034018.db2.gz	PMPKRCCGFQVBIR-MRXNPFEDSA-N	0	3	332.444	2.755	40	70		EFIBHN
CC[C@H](C)NC(=O)c1ccccc1NC(=O)CC1CCN(C)CC1	ZINC000216894651	241218090	/nfs/dbraw/zinc/21/80/90/241218090.db2.gz	RFPRIANAUHOBAH-AWEZNQCLSA-N	0	3	331.460	2.885	40	70		EFIBHN
Cc1ccc(NC(=O)CC2CCN(C)CC2)cc1N1CCCC1=O	ZINC000216904607	241219413	/nfs/dbraw/zinc/21/94/13/241219413.db2.gz	IVNRTILZXGCDCS-UHFFFAOYSA-N	0	3	329.444	2.792	40	70		EFIBHN
CN1CCC[C@@H](C(=O)Nc2ccccc2C(=O)N2CCCCCC2)C1	ZINC000216910049	536362211	/nfs/dbraw/zinc/36/22/11/536362211.db2.gz	UYTYNZIKQZMPPD-MRXNPFEDSA-N	0	3	343.471	2.983	40	70		EFIBHN
CN1CCC[C@H](C(=O)Nc2ccccc2C(=O)N2CCCCCC2)C1	ZINC000216910079	536382139	/nfs/dbraw/zinc/38/21/39/536382139.db2.gz	UYTYNZIKQZMPPD-INIZCTEOSA-N	0	3	343.471	2.983	40	70		EFIBHN
FC(F)(F)COc1ncccc1CNC1CCC2(CC1)OCCO2	ZINC000161271983	473222624	/nfs/dbraw/zinc/22/26/24/473222624.db2.gz	VJBBMRYURKPCSK-UHFFFAOYSA-N	0	3	346.349	2.798	40	70		EFIBHN
CN1CCC(CC(=O)Nc2ccccc2C(=O)N2CCCCC2)CC1	ZINC000216896425	536336762	/nfs/dbraw/zinc/33/67/62/536336762.db2.gz	SRSDSYAMPJHIKD-UHFFFAOYSA-N	0	3	343.471	2.983	40	70		EFIBHN
COc1cc(CNC(=O)CC2CCN(C)CC2)ccc1OC(C)C	ZINC000216898425	241219911	/nfs/dbraw/zinc/21/99/11/241219911.db2.gz	OMFKBCBLXSCFCI-UHFFFAOYSA-N	0	3	334.460	2.831	40	70		EFIBHN
COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)C1CCN(C)CC1	ZINC000216924522	277441572	/nfs/dbraw/zinc/44/15/72/277441572.db2.gz	SDUWKAHLBOHNLB-MRXNPFEDSA-N	0	3	332.444	2.755	40	70		EFIBHN
CCN(CC)C(=O)c1ccccc1NC(=O)CC1CCN(C)CC1	ZINC000216900287	535485631	/nfs/dbraw/zinc/48/56/31/535485631.db2.gz	COOLPAOSJBHWKL-UHFFFAOYSA-N	0	3	331.460	2.839	40	70		EFIBHN