smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOc1ccc(Cl)cc1S(=O)(=O)NC1CCN(C)CC1	ZINC000216796492	241213305	/nfs/dbraw/zinc/21/33/05/241213305.db2.gz	SSHIANNLKDBPFJ-UHFFFAOYSA-N	0	1	332.853	2.111	40	70		EEIBMN
CNC(=O)[C@@H](C)CN(C)Cc1nc2cc(Br)ccc2[nH]1	ZINC000159988358	323333859	/nfs/dbraw/zinc/33/38/59/323333859.db2.gz	YTXJMEKXHHZKGQ-VIFPVBQESA-N	0	1	339.237	2.139	40	70		EEIBMN
CNC(=O)[C@@H](C)CN(C)Cc1nc2ccc(Br)cc2[nH]1	ZINC000159988358	323333869	/nfs/dbraw/zinc/33/38/69/323333869.db2.gz	YTXJMEKXHHZKGQ-VIFPVBQESA-N	0	1	339.237	2.139	40	70		EEIBMN
CNC(=O)[C@H](C)CN(C)Cc1nc2cc(Br)ccc2[nH]1	ZINC000159988476	323333812	/nfs/dbraw/zinc/33/38/12/323333812.db2.gz	YTXJMEKXHHZKGQ-SECBINFHSA-N	0	1	339.237	2.139	40	70		EEIBMN
CNC(=O)[C@H](C)CN(C)Cc1nc2ccc(Br)cc2[nH]1	ZINC000159988476	323333821	/nfs/dbraw/zinc/33/38/21/323333821.db2.gz	YTXJMEKXHHZKGQ-SECBINFHSA-N	0	1	339.237	2.139	40	70		EEIBMN
CC(C)Cc1cc(C(=O)N2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)n[nH]1	ZINC000217716062	535334263	/nfs/dbraw/zinc/33/42/63/535334263.db2.gz	GKWHENHEYCEFQT-UONOGXRCSA-N	0	1	340.427	2.029	40	70		EEIBMN
Cc1cc(C[C@@H](C)NC(=O)Nc2cnn(CC(F)(F)F)c2)n[nH]1	ZINC000160531086	463346907	/nfs/dbraw/zinc/34/69/07/463346907.db2.gz	MMRDLSNKMISEJR-MRVPVSSYSA-N	0	1	330.314	2.230	40	70		EEIBMN
CN(CC1CCN(C(=O)C(C)(C)C)CC1)CC(C)(C)S(C)(=O)=O	ZINC000161298838	463417095	/nfs/dbraw/zinc/41/70/95/463417095.db2.gz	JUIWSXXEBPWRES-UHFFFAOYSA-N	0	1	346.537	2.026	40	70		EEIBMN
COc1ccc(C(C)C)cc1S(=O)(=O)NC1CCN(C)CC1	ZINC000216795773	241213706	/nfs/dbraw/zinc/21/37/06/241213706.db2.gz	HHJWDDQFLUQQSF-UHFFFAOYSA-N	0	1	326.462	2.191	40	70		EEIBMN
CCC(=O)c1cccc(S(=O)(=O)Nc2ccc3n[nH]nc3c2)c1	ZINC000160070201	463317344	/nfs/dbraw/zinc/31/73/44/463317344.db2.gz	ZPCJEEPBPKUDSB-UHFFFAOYSA-N	0	1	330.369	2.351	40	70		EEIBMN
CCOc1ccc(S(=O)(=O)NC2CCN(C)CC2)cc1Cl	ZINC000216796128	241213764	/nfs/dbraw/zinc/21/37/64/241213764.db2.gz	IOVSTIFSKVBPGQ-UHFFFAOYSA-N	0	1	332.853	2.111	40	70		EEIBMN
C[C@H](c1ccncc1)N1CCC(NC(=O)N[C@H]2CCCC[C@@H]2O)CC1	ZINC000161332450	463421739	/nfs/dbraw/zinc/42/17/39/463421739.db2.gz	WNBWEEUUAMJNBR-JLSDUUJJSA-N	0	1	346.475	2.210	40	70		EEIBMN
C[C@H](c1ccncc1)N1CCC(NC(=O)N[C@@H]2CCCC[C@@H]2O)CC1	ZINC000161332215	463422216	/nfs/dbraw/zinc/42/22/16/463422216.db2.gz	WNBWEEUUAMJNBR-OLMNPRSZSA-N	0	1	346.475	2.210	40	70		EEIBMN
CN(C)C(=O)OCCN1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1	ZINC000159550287	463291674	/nfs/dbraw/zinc/29/16/74/463291674.db2.gz	HMLZMEYNXVYWCJ-AWEZNQCLSA-N	0	1	329.404	2.307	40	70		EEIBMN
Cc1cc(C[C@H](C)NC(=O)Nc2cnn(CC(F)(F)F)c2)n[nH]1	ZINC000160531226	463347196	/nfs/dbraw/zinc/34/71/96/463347196.db2.gz	MMRDLSNKMISEJR-QMMMGPOBSA-N	0	1	330.314	2.230	40	70		EEIBMN
CN(C)C(=O)OCCN1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1	ZINC000159550152	463291786	/nfs/dbraw/zinc/29/17/86/463291786.db2.gz	HMLZMEYNXVYWCJ-CQSZACIVSA-N	0	1	329.404	2.307	40	70		EEIBMN