smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccccc1C(=O)N1CCN(c2nc(CN3CCN(Cc4ccccc4)CC3)cc(=O)[nH]2)CC1	ZINC000035926326	525048740	/nfs/dbraw/zinc/04/87/40/525048740.db2.gz	JNYFGJGDQNNDBB-UHFFFAOYSA-N	0	1	486.620	2.359	10	0		JEAEMN
CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)Nc2cc3c(cc2C(C)=O)OCO3)cc1	ZINC000001351271	562919929	/nfs/dbraw/zinc/91/99/29/562919929.db2.gz	RQEYLHYSCZXXFJ-UHFFFAOYSA-N	0	1	454.526	2.449	10	0		JEAEMN
CCS(=O)(=O)Nc1cc(CNC(=O)CCc2nc3ccc(F)cc3[nH]2)cc(C(=O)OC)c1	ZINC000014987294	521684300	/nfs/dbraw/zinc/68/43/00/521684300.db2.gz	KOWDLCINBODNBT-UHFFFAOYSA-N	0	1	462.503	2.499	10	0		JEAEMN
COc1ccccc1NS(=O)(=O)c1cc(NC(=O)[C@@H](C)NC(N)=O)ccc1N1CCCC1	ZINC000013930215	563004861	/nfs/dbraw/zinc/00/48/61/563004861.db2.gz	QJPQVJOMCSZBIP-CQSZACIVSA-N	0	1	461.544	2.092	10	0		JEAEMN
OC[C@@H]1O[C@H](CN(Cc2ccccn2)Cc2ccccn2)[C@H](N2CCc3ccccc3C2)[C@@H]1O	ZINC000020464707	527600445	/nfs/dbraw/zinc/60/04/45/527600445.db2.gz	VJXWGBLRNPZISZ-LGTXBLIGSA-N	0	1	460.578	2.026	10	0	biogenic	JEAEMN
Cc1ccc2nc(CCNC(=O)[C@@H]3CCCN(c4nnc(N5CCCC5=O)s4)C3)[nH]c2c1	ZINC000021026658	195268971	/nfs/dbraw/zinc/26/89/71/195268971.db2.gz	JGFNLFZWFXTZBA-OAHLLOKOSA-N	0	1	453.572	2.425	10	0		JEAEMN
CCOc1ccc(S(=O)(=O)N(CC(=O)N2CCNCC2)Cc2ccccc2Cl)cc1	ZINC000015864201	556038989	/nfs/dbraw/zinc/03/89/89/556038989.db2.gz	HKBLSOBGYHNRMB-UHFFFAOYSA-N	0	1	451.976	2.361	10	0		JEAEMN
COC(=O)c1cn([C@H]2C[C@@H](C(=O)NCCc3c[nH]c4ccccc34)N(C3CCCC3)C2)nn1	ZINC000012040521	555893170	/nfs/dbraw/zinc/89/31/70/555893170.db2.gz	HUEBNWSLFHHQCJ-AVRDEDQJSA-N	0	1	450.543	2.463	10	0		JEAEMN
CN1[C@@H]2CCN(Cc3cccc(OC(F)(F)F)c3)[C@@H]2C(=O)NC[C@@H]1CCC(=O)N1CCCC1	ZINC000035442382	560079244	/nfs/dbraw/zinc/07/92/44/560079244.db2.gz	AXNPSQDMIOEFNK-DSKINZAPSA-N	0	1	468.520	2.361	10	0	biogenic	JEAEMN
CN1[C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)[C@@H]2C(=O)NC[C@@H]1CCC(=O)N1CCCC1	ZINC000035442383	560079442	/nfs/dbraw/zinc/07/94/42/560079442.db2.gz	YEPYZSMKCHDPNR-ZVDOUQERSA-N	0	1	452.521	2.481	10	0	biogenic	JEAEMN
CCc1ccc(N(C)S(=O)(=O)c2ccc3[nH]cc(C(=O)N4CCOCC4)c(=O)c3c2)cc1	ZINC000006181199	554515581	/nfs/dbraw/zinc/51/55/81/554515581.db2.gz	UIVVVAXXLGKDGE-UHFFFAOYSA-N	0	1	455.536	2.388	10	0		JEAEMN
CCON1C(=O)C[C@H](C(=O)OC)C12CCN(C(=O)c1cc(-c3ccc(OC)cc3)[nH]n1)CC2	ZINC000072167939	569699914	/nfs/dbraw/zinc/69/99/14/569699914.db2.gz	DWFPZSWLQFGCNT-QGZVFWFLSA-N	0	1	456.499	2.033	10	0		JEAEMN
O=C(c1nnc(-c2cc(S(=O)(=O)NC3CCN(Cc4ccccc4)CC3)c[nH]2)o1)N1CCCC1	ZINC000085808869	569715483	/nfs/dbraw/zinc/71/54/83/569715483.db2.gz	DQQFYRKTLSIUNV-UHFFFAOYSA-N	0	1	484.582	2.244	10	0		JEAEMN
COc1ccc(CC(=O)N2CCc3[nH]nc(C(=O)NCc4ccc5c(c4)OCO5)c3C2)cc1OC	ZINC000040426836	569828067	/nfs/dbraw/zinc/82/80/67/569828067.db2.gz	MCTJHKSCRFLBNS-UHFFFAOYSA-N	0	1	478.505	2.213	10	0		JEAEMN
COC(=O)[C@@H]1CCCN1C(=O)c1c(OC)cc(=O)n2c1CCN(Cc1c(C)[nH]c3ccccc31)CC2	ZINC000019838560	563015288	/nfs/dbraw/zinc/01/52/88/563015288.db2.gz	BZSILZIVSYOCOY-QFIPXVFZSA-N	0	1	492.576	2.483	10	0		JEAEMN
COc1ccc2nc(CCNC(=O)c3cn(CC(C)C)cc(C(=O)NC(C)C)c3=O)[nH]c2c1	ZINC000014981987	525663409	/nfs/dbraw/zinc/66/34/09/525663409.db2.gz	FNVKNKOHPUNTLY-UHFFFAOYSA-N	0	1	453.543	2.500	10	0		JEAEMN
O=C(NCCN1CCOCC1)c1ccc(N2CCC(NCc3cnn(-c4ccccc4)n3)CC2)cc1	ZINC000014976814	526321119	/nfs/dbraw/zinc/32/11/19/526321119.db2.gz	ZMPLGGBIVCUSPX-UHFFFAOYSA-N	0	1	489.624	2.088	10	0		JEAEMN
CCON1C(=O)C[C@@H](C(=O)OC)C12CCN(C(=O)c1cc(-c3ccc(OC)cc3)[nH]n1)CC2	ZINC000072167940	569699808	/nfs/dbraw/zinc/69/98/08/569699808.db2.gz	DWFPZSWLQFGCNT-KRWDZBQOSA-N	0	1	456.499	2.033	10	0		JEAEMN
CCCS(=O)(=O)N1CCC[C@@H](C(=O)NCCCN2CCN(c3cccc(Cl)c3)CC2)C1	ZINC000004056368	194372644	/nfs/dbraw/zinc/37/26/44/194372644.db2.gz	YFKYNYYJWWJZAI-LJQANCHMSA-N	0	1	471.067	2.420	10	0		JEAEMN
CCCS(=O)(=O)N1CCC[C@H](C(=O)NCCCN2CCN(c3cccc(Cl)c3)CC2)C1	ZINC000004056367	194372659	/nfs/dbraw/zinc/37/26/59/194372659.db2.gz	YFKYNYYJWWJZAI-IBGZPJMESA-N	0	1	471.067	2.420	10	0		JEAEMN
Cc1ccc2nc(CCNC(=O)[C@H]3CCCN(c4nnc(N5CCCC5=O)s4)C3)[nH]c2c1	ZINC000021026668	195269030	/nfs/dbraw/zinc/26/90/30/195269030.db2.gz	JGFNLFZWFXTZBA-HNNXBMFYSA-N	0	1	453.572	2.425	10	0		JEAEMN
CCN1CCN(c2ncnc3sc(C(=O)N4CCN(C(=O)c5ccco5)CC4)c(C)c32)CC1	ZINC000021636651	195318678	/nfs/dbraw/zinc/31/86/78/195318678.db2.gz	FHOSAMIEEKSKLO-UHFFFAOYSA-N	0	1	468.583	2.333	10	0		JEAEMN