smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(C[N-]C(=O)C(F)F)NC1CC1	218691759	583492423	/nfs/dbraw/zinc/49/24/23/583492423.db2.gz	AODQWHPCKWEIIU-UHFFFAOYSA-N	-1	3	192.165	-0.354	20	70		ABIDHM
CN(C)C(=O)C[N-]C(=O)C(F)F	218688009	583492734	/nfs/dbraw/zinc/49/27/34/583492734.db2.gz	BAWXUADYYQGPRF-UHFFFAOYSA-N	-1	3	180.154	-0.544	20	70		ABIDHM
CC(C)NC(=O)C[N-]C(=O)C(F)F	218685179	583493255	/nfs/dbraw/zinc/49/32/55/583493255.db2.gz	RJKUOWIAPMGQIB-UHFFFAOYSA-N	-1	3	194.181	-0.108	20	70		ABIDHM
CNC(=O)C[N-]C(=O)C(F)F	217864540	344407047	/nfs/dbraw/zinc/40/70/47/344407047.db2.gz	GTHYDOKHAILTEN-UHFFFAOYSA-N	-1	3	166.127	-0.886	20	70		ABIDHM
C[C@@]1(NC(=O)c2c[n-]nn2)CCOC1	160215450	344159984	/nfs/dbraw/zinc/15/99/84/344159984.db2.gz	HIUOAANVLUWOPF-MRVPVSSYSA-N	-1	3	196.210	-0.287	20	70		ABIDHM
C[C@@]1(NC(=O)c2cnn[n-]2)CCOC1	160215450	344159987	/nfs/dbraw/zinc/15/99/87/344159987.db2.gz	HIUOAANVLUWOPF-MRVPVSSYSA-N	-1	3	196.210	-0.287	20	70		ABIDHM
C[C@@]1(NC(=O)c2cn[n-]n2)CCOC1	160215450	344159989	/nfs/dbraw/zinc/15/99/89/344159989.db2.gz	HIUOAANVLUWOPF-MRVPVSSYSA-N	-1	3	196.210	-0.287	20	70		ABIDHM
C[C@]1(NC(=O)c2c[n-]nn2)CCOC1	160215301	344160200	/nfs/dbraw/zinc/16/02/00/344160200.db2.gz	HIUOAANVLUWOPF-QMMMGPOBSA-N	-1	3	196.210	-0.287	20	70		ABIDHM
C[C@]1(NC(=O)c2cnn[n-]2)CCOC1	160215301	344160201	/nfs/dbraw/zinc/16/02/01/344160201.db2.gz	HIUOAANVLUWOPF-QMMMGPOBSA-N	-1	3	196.210	-0.287	20	70		ABIDHM
C[C@]1(NC(=O)c2cn[n-]n2)CCOC1	160215301	344160203	/nfs/dbraw/zinc/16/02/03/344160203.db2.gz	HIUOAANVLUWOPF-QMMMGPOBSA-N	-1	3	196.210	-0.287	20	70		ABIDHM
CC[C@@H](CCO)NC(=O)c1c[n-]nn1	160133964	538040872	/nfs/dbraw/zinc/04/08/72/538040872.db2.gz	DQUAVXDVDSZZBZ-LURJTMIESA-N	-1	3	198.226	-0.305	20	70		ABIDHM
CC[C@@H](CCO)NC(=O)c1cnn[n-]1	160133964	538040877	/nfs/dbraw/zinc/04/08/77/538040877.db2.gz	DQUAVXDVDSZZBZ-LURJTMIESA-N	-1	3	198.226	-0.305	20	70		ABIDHM
CC[C@@H](CCO)NC(=O)c1cn[n-]n1	160133964	538040882	/nfs/dbraw/zinc/04/08/82/538040882.db2.gz	DQUAVXDVDSZZBZ-LURJTMIESA-N	-1	3	198.226	-0.305	20	70		ABIDHM
CC[C@H](CCO)NC(=O)c1cn[n-]n1	160134095	538042216	/nfs/dbraw/zinc/04/22/16/538042216.db2.gz	DQUAVXDVDSZZBZ-ZCFIWIBFSA-N	-1	3	198.226	-0.305	20	70		ABIDHM
CC[C@H](CCO)NC(=O)c1c[n-]nn1	160134095	538042203	/nfs/dbraw/zinc/04/22/03/538042203.db2.gz	DQUAVXDVDSZZBZ-ZCFIWIBFSA-N	-1	3	198.226	-0.305	20	70		ABIDHM
CC[C@H](CCO)NC(=O)c1cnn[n-]1	160134095	538042209	/nfs/dbraw/zinc/04/22/09/538042209.db2.gz	DQUAVXDVDSZZBZ-ZCFIWIBFSA-N	-1	3	198.226	-0.305	20	70		ABIDHM
COC(=O)[C@@H](C)[N-]C(=O)C(F)F	217659678	572934990	/nfs/dbraw/zinc/93/49/90/572934990.db2.gz	WUCQTEAAIKTVIB-GSVOUGTGSA-N	-1	3	181.138	-0.071	20	70		ABIDHM
COC(=O)[C@H](C)[N-]C(=O)C(F)F	217659758	572935333	/nfs/dbraw/zinc/93/53/33/572935333.db2.gz	WUCQTEAAIKTVIB-VKHMYHEASA-N	-1	3	181.138	-0.071	20	70		ABIDHM