smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1cc(S(=O)(=O)N2CCC(Cn3cccn3)CC2)c(=O)n(C)c1=O	ZINC000159406910	243200337	/nfs/dbraw/zinc/20/03/37/243200337.db2.gz	LRMNVZKYZZEWKG-UHFFFAOYSA-N	0	0	367.431	-0.619	10	70		FBIERN
Cc1noc([C@@H]2COCCN2Cc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)n1	ZINC000160972308	484226593	/nfs/dbraw/zinc/22/65/93/484226593.db2.gz	NZFJJJPJAPDVBJ-VIFPVBQESA-N	0	0	361.362	-0.775	10	70		FBIERN
Cc1noc([C@H]2COCCN2Cc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)n1	ZINC000160972486	484226740	/nfs/dbraw/zinc/22/67/40/484226740.db2.gz	NZFJJJPJAPDVBJ-SECBINFHSA-N	0	0	361.362	-0.775	10	70		FBIERN
O=C(CN1CCN(C(=O)N[C@@H]2CCc3ncnn3C2)CC1)N1CCCC1	ZINC000161048505	243198569	/nfs/dbraw/zinc/19/85/69/243198569.db2.gz	NCGQHBULCOTAOB-CQSZACIVSA-N	0	0	361.450	-0.458	10	70		FBIERN
O=C(CN1CCN(C(=O)N[C@H]2CCc3ncnn3C2)CC1)N1CCCC1	ZINC000161048625	243202176	/nfs/dbraw/zinc/20/21/76/243202176.db2.gz	NCGQHBULCOTAOB-AWEZNQCLSA-N	0	0	361.450	-0.458	10	70		FBIERN
CC[C@@H](C)NC(=O)CN1CCN(C(=O)N[C@@H]2CCc3ncnn3C2)CC1	ZINC000161101366	243202142	/nfs/dbraw/zinc/20/21/42/243202142.db2.gz	OSFQRLPRKCFYGN-ZIAGYGMSSA-N	0	0	363.466	-0.165	10	70		FBIERN
CC[C@H](C)NC(=O)CN1CCN(C(=O)N[C@@H]2CCc3ncnn3C2)CC1	ZINC000161101492	536156168	/nfs/dbraw/zinc/15/61/68/536156168.db2.gz	OSFQRLPRKCFYGN-UONOGXRCSA-N	0	0	363.466	-0.165	10	70		FBIERN
CC[C@@H](C)NC(=O)CN1CCN(C(=O)N[C@H]2CCc3ncnn3C2)CC1	ZINC000161101605	243201368	/nfs/dbraw/zinc/20/13/68/243201368.db2.gz	OSFQRLPRKCFYGN-KGLIPLIRSA-N	0	0	363.466	-0.165	10	70		FBIERN
CC[C@H](C)NC(=O)CN1CCN(C(=O)N[C@H]2CCc3ncnn3C2)CC1	ZINC000161101716	536156424	/nfs/dbraw/zinc/15/64/24/536156424.db2.gz	OSFQRLPRKCFYGN-KBPBESRZSA-N	0	0	363.466	-0.165	10	70		FBIERN
CN(C)C(=O)NCC(=O)N1CCn2nc([C@@H](O)c3ccnn3C)cc2C1	ZINC000218534118	524004168	/nfs/dbraw/zinc/00/41/68/524004168.db2.gz	GZXJVXCQYYQZAE-OAHLLOKOSA-N	0	0	361.406	-0.688	10	70		FBIERN
CN(C)C(=O)NCC(=O)N1CCn2nc([C@H](O)c3ccnn3C)cc2C1	ZINC000218534186	524003982	/nfs/dbraw/zinc/00/39/82/524003982.db2.gz	GZXJVXCQYYQZAE-HNNXBMFYSA-N	0	0	361.406	-0.688	10	70		FBIERN