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)NCC(=O)N2C[C@H]3CCC[C@@H](C2)N3)cn1	ZINC000159489104	376985756	/nfs/dbraw/zinc/98/57/56/376985756.db2.gz	MWKRHRIRNAYLOV-PHIMTYICSA-N	0	1	327.410	-0.949	20	70		EBIDMN
C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1C[C@H]2CCC[C@@H](C1)N2	ZINC000160435011	377980800	/nfs/dbraw/zinc/98/08/00/377980800.db2.gz	DCWGMSWWVGOSIW-SDDRHHMPSA-N	0	1	341.437	-0.560	20	70		EBIDMN
O=C(CNC(=O)c1cccnc1)N1CC[C@@H](CN2CCOCC2)C1	ZINC000160958060	378324009	/nfs/dbraw/zinc/32/40/09/378324009.db2.gz	UMQFMUUAAZFHKQ-AWEZNQCLSA-N	0	1	332.404	-0.008	20	70		EBIDMN
CN(C)C(=O)CN1CCN(C(=O)C[N@@H+](C)C[C@H]2CCC[C@@H]2O)CC1	ZINC000159839851	377210135	/nfs/dbraw/zinc/21/01/35/377210135.db2.gz	OHSNTNJDINSJQP-CABCVRRESA-N	0	1	340.468	-0.688	20	70		EBIDMN
CN(C)C(=O)CN1CCN(C(=O)CN(C)C[C@H]2CCC[C@@H]2O)CC1	ZINC000159839851	377210146	/nfs/dbraw/zinc/21/01/46/377210146.db2.gz	OHSNTNJDINSJQP-CABCVRRESA-N	0	1	340.468	-0.688	20	70		EBIDMN
Cc1ccc(-c2n[nH]c(NC(=O)Cn3ccc(=O)n(C)c3=O)n2)o1	ZINC000160394795	377905242	/nfs/dbraw/zinc/90/52/42/377905242.db2.gz	PKACGMUUXCUZMD-UHFFFAOYSA-N	0	1	330.304	-0.128	20	70		EBIDMN
CN(C)S(=O)(=O)c1cc(C(=O)NCCN2CCN(C)CC2)co1	ZINC000161145213	380892231	/nfs/dbraw/zinc/89/22/31/380892231.db2.gz	MJBMXXAPKGZRGR-UHFFFAOYSA-N	0	1	344.437	-0.493	20	70		EBIDMN
CCc1c(C(=O)N2CCN(C(=O)CN(C)C)CC2)[nH]c(C)c1C(N)=O	ZINC000161328735	419088941	/nfs/dbraw/zinc/08/89/41/419088941.db2.gz	JLLJJTMRTIWDQJ-UHFFFAOYSA-N	0	1	349.435	-0.170	20	70		EBIDMN
CC(C)CC(=O)NCCC(=O)N1CCN(C(=O)CN(C)C)CC1	ZINC000160266407	377063626	/nfs/dbraw/zinc/06/36/26/377063626.db2.gz	FSQWZQRRKIPIDX-UHFFFAOYSA-N	0	1	326.441	-0.229	20	70		EBIDMN
CCOCCN1CCN(CCc2cn(CC(=O)OC)nn2)CC1	ZINC000159917852	377223387	/nfs/dbraw/zinc/22/33/87/377223387.db2.gz	RLSCCZLBVYBPGL-UHFFFAOYSA-N	0	1	325.413	-0.352	20	70		EBIDMN
O=C(CNC(=O)c1cccc2nc[nH]c21)NCCN1CCOCC1	ZINC000159493471	376507354	/nfs/dbraw/zinc/50/73/54/376507354.db2.gz	HWSFRTGDXXQUKN-UHFFFAOYSA-N	0	1	331.376	-0.259	20	70		EBIDMN
CN1CCN(CCNC(=O)CCCNC(=O)c2cccnc2)CC1	ZINC000161177526	377339500	/nfs/dbraw/zinc/33/95/00/377339500.db2.gz	LYSHVWNIQJCMQU-UHFFFAOYSA-N	0	1	333.436	-0.045	20	70		EBIDMN
Cn1c(=O)c2cc(C(=O)N3C[C@H]4CCC[C@@H](C3)N4)cnc2n(C)c1=O	ZINC000160598379	154093119	/nfs/dbraw/zinc/09/31/19/154093119.db2.gz	HTDZBLQFCMGROM-TXEJJXNPSA-N	0	1	343.387	-0.401	20	70		EBIDMN
C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1C[C@H]2CCC[C@@H](C1)N2	ZINC000160435105	377981164	/nfs/dbraw/zinc/98/11/64/377981164.db2.gz	DCWGMSWWVGOSIW-UTUOFQBUSA-N	0	1	341.437	-0.560	20	70		EBIDMN
Cn1c(=O)c2ccc(C(=O)N3C[C@H]4CCC[C@@H](C3)N4)nc2n(C)c1=O	ZINC000159628539	376990246	/nfs/dbraw/zinc/99/02/46/376990246.db2.gz	HVJBICBCPONYGR-PHIMTYICSA-N	0	1	343.387	-0.401	20	70		EBIDMN
CC(C)(C)C(=O)Cn1cc(C(=O)NCCCc2nc(=O)[nH][nH]2)nn1	ZINC000161352575	378331188	/nfs/dbraw/zinc/33/11/88/378331188.db2.gz	ARFJSXHOLQLOBL-UHFFFAOYSA-N	0	1	335.368	-0.333	20	70		EBIDMN
CN(C)C(=O)CN1CCN(C(=O)C[N@@H+](C)C[C@@H]2CCC[C@@H]2O)CC1	ZINC000159839704	377210506	/nfs/dbraw/zinc/21/05/06/377210506.db2.gz	OHSNTNJDINSJQP-GJZGRUSLSA-N	0	1	340.468	-0.688	20	70		EBIDMN
CN(C)C(=O)CN1CCN(C(=O)CN(C)C[C@@H]2CCC[C@@H]2O)CC1	ZINC000159839704	377210511	/nfs/dbraw/zinc/21/05/11/377210511.db2.gz	OHSNTNJDINSJQP-GJZGRUSLSA-N	0	1	340.468	-0.688	20	70		EBIDMN
O=C(CNC(=O)c1cccnc1)N1CC[C@H](CN2CCOCC2)C1	ZINC000160957938	378322619	/nfs/dbraw/zinc/32/26/19/378322619.db2.gz	UMQFMUUAAZFHKQ-CQSZACIVSA-N	0	1	332.404	-0.008	20	70		EBIDMN
Cn1cnc(S(=O)(=O)NCC(=O)N2C[C@H]3CCC[C@@H](C2)N3)c1	ZINC000160428556	377980992	/nfs/dbraw/zinc/98/09/92/377980992.db2.gz	FVHMTMVIINIBKF-PHIMTYICSA-N	0	1	327.410	-0.949	20	70		EBIDMN
CN(C)CC(=O)N1CCN(C(=O)c2cnc3c(c2)ncn3C)CC1	ZINC000160098640	377050012	/nfs/dbraw/zinc/05/00/12/377050012.db2.gz	NQJIABZHRWVGOS-UHFFFAOYSA-N	0	1	330.392	-0.186	20	70		EBIDMN