smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#Cc1c(Cl)nc2cccc(Cl)c2c1N1CC[C@@H]2[C@H]1CCN2Cc1cccnc1	ZINC001164724471	720490577	/nfs/dbraw/zinc/49/05/77/720490577.db2.gz	GIXKKHRVXPFTNF-RTBURBONSA-N	0	1	424.335	4.661	20	30		HJEDMN
N#Cc1cc(Cl)c(Cl)nc1N1CCC[C@]2(CCN2Cc2cccc(F)c2)C1	ZINC001164994429	722199661	/nfs/dbraw/zinc/19/96/61/722199661.db2.gz	GPZSISXWBWCRAL-FQEVSTJZSA-N	0	1	405.304	4.644	20	30		HJEDMN
N#Cc1c(Cl)nc2cccc(Cl)c2c1N1CC[C@H]2[C@@H]1CCN2Cc1cccnc1	ZINC001164724466	720490435	/nfs/dbraw/zinc/49/04/35/720490435.db2.gz	GIXKKHRVXPFTNF-OALUTQOASA-N	0	1	424.335	4.661	20	30		HJEDMN
Cc1cccc2nc(Cl)c(C#N)c(N3CCn4c(CN(C)C(C)C)cnc4[C@@H]3C)c12	ZINC001164860244	721023176	/nfs/dbraw/zinc/02/31/76/721023176.db2.gz	KJYGBJAJYODAOI-INIZCTEOSA-N	0	1	422.964	4.686	20	30		HJEDMN
Cc1nc(CN2CCCC23CCN(c2nc(Cl)c(Cl)cc2C#N)CC3)cs1	ZINC001164692999	719809253	/nfs/dbraw/zinc/80/92/53/719809253.db2.gz	ORZLIIDFNNIUAN-UHFFFAOYSA-N	0	1	422.385	4.660	20	30		HJEDMN
Cc1nc(CN2CCCC23CCN(c2nccc4ccc(C#N)cc42)CC3)cs1	ZINC001164691901	719807110	/nfs/dbraw/zinc/80/71/10/719807110.db2.gz	AKDIKXLYDQLLEO-UHFFFAOYSA-N	0	1	403.555	4.506	20	30		HJEDMN
Cc1ccc2nc(N3CCn4c(CN(C)C(C)C)cnc4[C@H]3C)c(C#N)c(Cl)c2c1	ZINC001164861582	721024586	/nfs/dbraw/zinc/02/45/86/721024586.db2.gz	OZMJYZYQCNRLAT-MRXNPFEDSA-N	0	1	422.964	4.686	20	30		HJEDMN
Cc1nc(CN2CCCC23CCN(c2ncccc2C#C[Si](C)(C)C)CC3)cs1	ZINC001164691668	719810971	/nfs/dbraw/zinc/81/09/71/719810971.db2.gz	JLWWVFIQMZJJSO-UHFFFAOYSA-N	0	1	424.690	4.710	20	30		HJEDMN
Cc1nc(CN2CCCC23CCN(c2nc(C#N)c(Cl)cc2Cl)CC3)cs1	ZINC001164692651	719815940	/nfs/dbraw/zinc/81/59/40/719815940.db2.gz	QSPPTXYXGBEHNJ-UHFFFAOYSA-N	0	1	422.385	4.660	20	30		HJEDMN
Cc1ccc2nc(N3CCn4c(CN(C)C(C)C)cnc4[C@@H]3C)c(C#N)c(Cl)c2c1	ZINC001164861574	721023497	/nfs/dbraw/zinc/02/34/97/721023497.db2.gz	OZMJYZYQCNRLAT-INIZCTEOSA-N	0	1	422.964	4.686	20	30		HJEDMN
N#Cc1c(Cl)cc(Cl)nc1N1CCC[C@]2(CCN2Cc2cccc(F)c2)C1	ZINC001164995751	722212187	/nfs/dbraw/zinc/21/21/87/722212187.db2.gz	KJLAYRWNMWUOAY-FQEVSTJZSA-N	0	1	405.304	4.644	20	30		HJEDMN
N#Cc1ccc(-c2cc(C(F)(F)N3CCN(C4CCCC4)CC3)cnc2Cl)cc1	ZINC001165033835	721862471	/nfs/dbraw/zinc/86/24/71/721862471.db2.gz	ZWZOAOAKFIFVNZ-UHFFFAOYSA-N	0	1	416.903	4.883	20	30		HJEDMN
CC(C)n1nccc1[C@H]1OCC[C@@H]1C(=O)Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1	ZINC000328608571	569419549	/nfs/dbraw/zinc/41/95/49/569419549.db2.gz	ZSJPZJJVWAGNJT-BEVDRBHNSA-N	0	1	409.490	4.558	20	30		HJEDMN
Cc1nc(CN2CCCC23CCN(c2cc(C#N)c4ccccc4n2)CC3)cs1	ZINC001164693077	719813507	/nfs/dbraw/zinc/81/35/07/719813507.db2.gz	TWDWJLJFFDHYBA-UHFFFAOYSA-N	0	1	403.555	4.506	20	30		HJEDMN
Cc1cccc2nc(Cl)c(C#N)c(N3CCn4c(CN(C)C(C)C)cnc4[C@H]3C)c12	ZINC001164860246	721024501	/nfs/dbraw/zinc/02/45/01/721024501.db2.gz	KJYGBJAJYODAOI-MRXNPFEDSA-N	0	1	422.964	4.686	20	30		HJEDMN
Cc1nc(CN2CCCC23CCN(c2nc(Cl)cc(Cl)c2C#N)CC3)cs1	ZINC001164703638	719816023	/nfs/dbraw/zinc/81/60/23/719816023.db2.gz	WJNOXDXVWGLGQF-UHFFFAOYSA-N	0	1	422.385	4.660	20	30		HJEDMN
N#Cc1c(Cl)nc2cccc(Cl)c2c1N1CC[C@H]2[C@H]1CCN2Cc1cccnc1	ZINC001164724468	720490758	/nfs/dbraw/zinc/49/07/58/720490758.db2.gz	GIXKKHRVXPFTNF-RBUKOAKNSA-N	0	1	424.335	4.661	20	30		HJEDMN
N#Cc1cnc2cnc(Cl)cc2c1N1CCC[C@@]2(CCN2Cc2cccc(F)c2)C1	ZINC001164993255	722194404	/nfs/dbraw/zinc/19/44/04/722194404.db2.gz	DLXRXADZMWVEJZ-HSZRJFAPSA-N	0	1	421.907	4.539	20	30		HJEDMN
N#Cc1c(Cl)cc(Cl)nc1N1CCC[C@@]2(CCN2Cc2cccc(F)c2)C1	ZINC001164995753	722212259	/nfs/dbraw/zinc/21/22/59/722212259.db2.gz	KJLAYRWNMWUOAY-HXUWFJFHSA-N	0	1	405.304	4.644	20	30		HJEDMN
CC(C)n1nccc1[C@H]1OCC[C@@H]1C(=O)Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1	ZINC000328608572	520127847	/nfs/dbraw/zinc/12/78/47/520127847.db2.gz	ZSJPZJJVWAGNJT-YSSFQJQWSA-N	0	1	409.490	4.558	20	30		HJEDMN
N#Cc1c(Cl)nc2cccc(Cl)c2c1N1CC[C@@H]2[C@@H]1CCN2Cc1cccnc1	ZINC001164724461	720490426	/nfs/dbraw/zinc/49/04/26/720490426.db2.gz	GIXKKHRVXPFTNF-MOPGFXCFSA-N	0	1	424.335	4.661	20	30		HJEDMN
Cc1nc(CN2CCCC23CCN(c2cc(C#C[Si](C)(C)C)ccn2)CC3)cs1	ZINC001164697194	719816714	/nfs/dbraw/zinc/81/67/14/719816714.db2.gz	ARXAQXHMEMFFRC-UHFFFAOYSA-N	0	1	424.690	4.710	20	30		HJEDMN
N#Cc1cnc2cnc(Cl)cc2c1N1CCC[C@]2(CCN2Cc2cccc(F)c2)C1	ZINC001164993256	722194587	/nfs/dbraw/zinc/19/45/87/722194587.db2.gz	DLXRXADZMWVEJZ-QHCPKHFHSA-N	0	1	421.907	4.539	20	30		HJEDMN
N#Cc1cc(Cl)c(Cl)nc1N1CCC[C@@]2(CCN2Cc2cccc(F)c2)C1	ZINC001164994430	722199640	/nfs/dbraw/zinc/19/96/40/722199640.db2.gz	GPZSISXWBWCRAL-HXUWFJFHSA-N	0	1	405.304	4.644	20	30		HJEDMN
N#Cc1cccc(-c2cc(C(F)(F)N3CCN(C4CCCC4)CC3)cnc2Cl)c1	ZINC001165033107	721862420	/nfs/dbraw/zinc/86/24/20/721862420.db2.gz	BSAGNOVYZDWLSP-UHFFFAOYSA-N	0	1	416.903	4.883	20	30		HJEDMN