smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)NCC(=O)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)CNC(C)C)ccc1C2=O	ZINC000040972560	563114908	/nfs/dbraw/zinc/11/49/08/563114908.db2.gz	DKNQCGLIKICHPF-UHFFFAOYSA-N	0	3	436.512	2.335	1	10	in-vivo	IECFHN
N[C@@H](Cc1c[nH]cn1)C(=O)NCCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2	ZINC000064448165	563153329	/nfs/dbraw/zinc/15/33/29/563153329.db2.gz	GVXINRLUIFAHLE-FQEVSTJZSA-N	0	3	441.491	2.012	1	10		IECFHN
N[C@@H](Cc1cnc[nH]1)C(=O)NCCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2	ZINC000064448165	563153330	/nfs/dbraw/zinc/15/33/30/563153330.db2.gz	GVXINRLUIFAHLE-FQEVSTJZSA-N	0	3	441.491	2.012	1	10		IECFHN
CCCOCCn1c2cc(-c3ccc(OC)nc3)cnc2nc(NCCN(C)C)c1=O	ZINC000045246005	563126669	/nfs/dbraw/zinc/12/66/69/563126669.db2.gz	DCEILLNLELOEMK-UHFFFAOYSA-N	0	3	426.521	2.262	1	10		IECFHN
CN(C)CCC(=O)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)CCN(C)C)cc1C2=O	ZINC000013556223	562993179	/nfs/dbraw/zinc/99/31/79/562993179.db2.gz	AQCKBKAIOZBOLD-UHFFFAOYSA-N	0	3	436.512	2.242	1	10		IECFHN
C[C@@H]1O[C@H](O[C@@H]2CCCc3c(O)c4c(c([O-])c32)C(=O)c2ccccc2C4=O)C[C@@H]([NH3+])[C@@H]1O	ZINC000017022738	563021251	/nfs/dbraw/zinc/02/12/51/563021251.db2.gz	JVCZXJYDGGNFSK-PBSTWPGASA-N	0	3	439.464	2.090	1	10		IECFHN
CN(C)CCC(=O)Nc1cccc2c1C(=O)c1cccc(NC(=O)CCN(C)C)c1C2=O	ZINC000013556206	562993197	/nfs/dbraw/zinc/99/31/97/562993197.db2.gz	YXNNAMQSLYSKND-UHFFFAOYSA-N	0	3	436.512	2.242	1	10		IECFHN
CCCNCC(=O)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)CNCCC)ccc1C2=O	ZINC000040955172	563114584	/nfs/dbraw/zinc/11/45/84/563114584.db2.gz	OBGMWZLARFADCF-UHFFFAOYSA-N	0	3	436.512	2.338	1	10	in-vivo	IECFHN
CN(C)CCC(=O)Nc1ccc(NC(=O)CCN(C)C)c2c1C(=O)c1ccccc1C2=O	ZINC000026972509	563038419	/nfs/dbraw/zinc/03/84/19/563038419.db2.gz	MOLNOJMQDXFBME-UHFFFAOYSA-N	0	3	436.512	2.242	1	10		IECFHN
Cc1c(Cl)nc(NCc2ccc(N)cc2)c(=O)n1CC(=O)Nc1cccc(CN)c1	ZINC000028360710	563053461	/nfs/dbraw/zinc/05/34/61/563053461.db2.gz	MWJGPWNCEKXHTC-UHFFFAOYSA-N	0	3	426.908	2.497	1	10		IECFHN
Cc1[nH]c(=O)nc(NCCNCCO)c1C(=O)Nc1c2ccccc2nc2ccccc21	ZINC000005581691	562944289	/nfs/dbraw/zinc/94/42/89/562944289.db2.gz	AJJVNWZXCBSIAH-UHFFFAOYSA-N	0	3	432.484	2.026	1	10		IECFHN
N[C@H](Cc1c[nH]cn1)C(=O)NCCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2	ZINC000064447838	563153324	/nfs/dbraw/zinc/15/33/24/563153324.db2.gz	GVXINRLUIFAHLE-HXUWFJFHSA-N	0	3	441.491	2.012	1	10		IECFHN
N[C@H](Cc1cnc[nH]1)C(=O)NCCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2	ZINC000064447838	563153325	/nfs/dbraw/zinc/15/33/25/563153325.db2.gz	GVXINRLUIFAHLE-HXUWFJFHSA-N	0	3	441.491	2.012	1	10		IECFHN
CN(C)CCC(=O)Nc1cccc2c1C(=O)c1c(NC(=O)CCN(C)C)cccc1C2=O	ZINC000004393905	562943217	/nfs/dbraw/zinc/94/32/17/562943217.db2.gz	ANVAUNVCPJJTSF-UHFFFAOYSA-N	0	3	436.512	2.242	1	10		IECFHN
CNS(=O)(=O)c1cccc2c1ccc1nc3cccc(C(=O)NCCN(C)C)c3nc12	ZINC000027768574	563047107	/nfs/dbraw/zinc/04/71/07/563047107.db2.gz	STHSQLVFLYOXRM-UHFFFAOYSA-N	0	3	437.525	2.136	1	10		IECFHN
OC[C@@H]1O[C@@H](Oc2ccc(Nc3c4ccccc4nc4ccccc43)cc2)[C@@H](O)[C@H](O)[C@H]1O	ZINC000049808612	563140336	/nfs/dbraw/zinc/14/03/36/563140336.db2.gz	KDVZTVVULZSKQC-NHYJECHLSA-N	0	3	448.475	2.310	1	10		IECFHN
CC(C)NCC(=O)Nc1cccc2c1C(=O)c1c(NC(=O)CNC(C)C)cccc1C2=O	ZINC000073258887	563171453	/nfs/dbraw/zinc/17/14/53/563171453.db2.gz	PQGXRRCRUOFIPO-UHFFFAOYSA-N	0	3	436.512	2.335	1	10		IECFHN
Cc1c(C(=O)NCCN(C)C)cc(-c2ccccc2)n1-c1ccc(S(N)(=O)=O)cc1	ZINC000064539296	563154993	/nfs/dbraw/zinc/15/49/93/563154993.db2.gz	FPCAVCFXHUFGLO-UHFFFAOYSA-N	0	3	426.542	2.392	1	10		IECFHN
CN(C)CCC(=O)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)CCN(C)C)ccc1C2=O	ZINC000004393912	562943221	/nfs/dbraw/zinc/94/32/21/562943221.db2.gz	JIMGGRBZTYNLQQ-UHFFFAOYSA-N	0	3	436.512	2.242	1	10		IECFHN
OC[C@@H]1O[C@H](Oc2ccc(Nc3c4ccccc4nc4ccccc43)cc2)[C@@H](O)[C@H](O)[C@H]1O	ZINC000084632020	563174648	/nfs/dbraw/zinc/17/46/48/563174648.db2.gz	KDVZTVVULZSKQC-JRBASJLZSA-N	0	3	448.475	2.310	1	10		IECFHN