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([O-])CN1CCN(c2cc(-c3ccccc3)nc(-c3ccc(C(F)(F)F)cc3)n2)CC1	ZINC000073685672	527611460	/nfs/dbraw/zinc/61/14/60/527611460.db2.gz	HWFKJBKUPBANRE-UHFFFAOYSA-N	-1	3	442.441	4.036	10	0		IIAEHM
COc1ccc(OC[C@@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2cccc([O-])c2)cc1	ZINC000060162161	563146904	/nfs/dbraw/zinc/14/69/04/563146904.db2.gz	KWJYBUMEWUCJRS-HSZRJFAPSA-N	-1	3	449.503	4.237	10	0		IIAEHM
COc1c(Br)cc(CNCc2ccc(C(=O)[O-])cc2)cc1Br	ZINC000020927311	521778201	/nfs/dbraw/zinc/77/82/01/521778201.db2.gz	UVIBVNUWGARZKU-UHFFFAOYSA-N	-1	3	429.108	4.208	10	0		IIAEHM
Cc1nc(CN(CC(C)C)C(=O)C2CCC2)[n-]c(=O)c1Cc1cccc(C(F)(F)F)c1	ZINC000096318004	557199131	/nfs/dbraw/zinc/19/91/31/557199131.db2.gz	DDEFOXXLBWTNNS-UHFFFAOYSA-N	-1	3	435.490	4.473	10	0		IIAEHM
Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ncccc3C(=O)NC(C)C)cc2)cc1	ZINC000065074537	569098952	/nfs/dbraw/zinc/09/89/52/569098952.db2.gz	NEGFZOVYZKNTKW-UHFFFAOYSA-N	-1	3	425.510	4.121	10	0		IIAEHM
COc1ccc([C@H]2CC(c3ccc(Br)cc3)=NN2c2nc([O-])cs2)cc1	ZINC000072412772	563168497	/nfs/dbraw/zinc/16/84/97/563168497.db2.gz	BZFPYVHUYNZICS-QGZVFWFLSA-N	-1	3	430.327	4.238	10	0		IIAEHM
CCOc1c(CN[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc(Br)cc1OC	ZINC000010475454	556336196	/nfs/dbraw/zinc/33/61/96/556336196.db2.gz	JELGSYYCKSCKKY-GOSISDBHSA-N	-1	3	447.329	4.123	10	0		IIAEHM
COc1ccc([C@@H]2CC(c3ccc(Br)cc3)=NN2c2nc([O-])cs2)cc1	ZINC000072412771	563168538	/nfs/dbraw/zinc/16/85/38/563168538.db2.gz	BZFPYVHUYNZICS-KRWDZBQOSA-N	-1	3	430.327	4.238	10	0		IIAEHM
CC(=O)c1ccc(N2CCN(Cc3nc(=O)c4c(-c5ccccc5)csc4[n-]3)CC2)cc1	ZINC000002625566	132255580	/nfs/dbraw/zinc/25/55/80/132255580.db2.gz	RXNBTQJIVHXCTO-UHFFFAOYSA-N	-1	3	444.560	4.176	10	0		IIAEHM
O=C([N-]c1c(F)c(F)nc(N2CCCCC2)c1F)c1ccccc1C(=O)N1CCCCC1	ZINC000008662600	132289434	/nfs/dbraw/zinc/28/94/34/132289434.db2.gz	SUJKWXHJRYCAEX-UHFFFAOYSA-N	-1	3	446.473	4.368	10	0		IIAEHM
COc1cc(CNCc2ccc(C(=O)[O-])cc2)ccc1OCC(=O)Nc1ccc(C)cc1	ZINC000013731440	556295888	/nfs/dbraw/zinc/29/58/88/556295888.db2.gz	PCFINVMRDNERDT-UHFFFAOYSA-N	-1	3	434.492	4.009	10	0		IIAEHM
Cc1cc(C)c(NC(=O)[C@H](Cc2ccccc2)[N-]S(=O)(=O)c2cccs2)c(C)c1	ZINC000021651503	524303551	/nfs/dbraw/zinc/30/35/51/524303551.db2.gz	KLUJSGPBYPILLA-IBGZPJMESA-N	-1	3	428.579	4.202	10	0		IIAEHM
CC(C)=CC[C@]12Oc3cc4c(c([O-])c3C(=O)[C@@]1(O)Oc1cc(O)ccc12)C=CC(C)(C)O4	ZINC000014690574	291379295	/nfs/dbraw/zinc/37/92/95/291379295.db2.gz	WDKDKBZGSVJWSD-JWQCQUIFSA-N	-1	3	436.460	4.190	10	0	biogenic,in-vitro	IIAEHM
COc1ccc(OC[C@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2cccc([O-])c2)cc1	ZINC000060162164	563146924	/nfs/dbraw/zinc/14/69/24/563146924.db2.gz	KWJYBUMEWUCJRS-QHCPKHFHSA-N	-1	3	449.503	4.237	10	0		IIAEHM
COc1cccc(-c2nnc3n2c2ccccc2c(=O)n3Cc2ccccc2Cl)c1[O-]	ZINC000008587875	562950540	/nfs/dbraw/zinc/95/05/40/562950540.db2.gz	MUHNHVCFKYIXPU-UHFFFAOYSA-N	-1	3	432.867	4.127	10	0		IIAEHM
O=c1cc(CN2CCC(O)(c3ccc(Cl)cc3)CC2)nc(-c2cccc(Cl)c2)[n-]1	ZINC000073642934	527475771	/nfs/dbraw/zinc/47/57/71/527475771.db2.gz	ZCOFGBPENXMIKJ-UHFFFAOYSA-N	-1	3	430.335	4.227	10	0		IIAEHM
Cc1ccccc1Cc1nc2c(c(=O)[n-]1)CN(C(=O)c1ccc(Cl)c(Cl)c1)CC2	ZINC000035818977	525202019	/nfs/dbraw/zinc/20/20/19/525202019.db2.gz	OKZXXUILSFRZSE-UHFFFAOYSA-N	-1	3	428.319	4.174	10	0		IIAEHM
CC(C)[C@H](NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)C(=O)OCc1ccccc1	ZINC000059624530	568789984	/nfs/dbraw/zinc/78/99/84/568789984.db2.gz	LNQMWQPHRJGJQL-DEOSSOPVSA-N	-1	3	441.535	4.391	10	0	in-vitro	IIAEHM
CC(C)[C@H](NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)C(=O)OCc1ccccc1	ZINC000059624530	568789986	/nfs/dbraw/zinc/78/99/86/568789986.db2.gz	LNQMWQPHRJGJQL-DEOSSOPVSA-N	-1	3	441.535	4.391	10	0	in-vitro	IIAEHM
Cc1ccc(S(=O)(=O)[N-]c2ccc(C3(C(=O)NCc4ccccc4)CC3)cc2)c(C)c1	ZINC000015869478	556559873	/nfs/dbraw/zinc/55/98/73/556559873.db2.gz	LCOHIRHXNCFANB-UHFFFAOYSA-N	-1	3	434.561	4.452	10	0		IIAEHM
O=C(CSc1nc2[n-]ncc2c(=O)n1-c1cccc2ccccc21)Nc1ccccc1F	ZINC000009490141	569540050	/nfs/dbraw/zinc/54/00/50/569540050.db2.gz	DFBXKXOLVBDPCP-UHFFFAOYSA-N	-1	3	445.479	4.132	10	0		IIAEHM
O=C(CSc1nc2n[n-]cc2c(=O)n1-c1cccc2ccccc21)Nc1ccccc1F	ZINC000009490141	569540051	/nfs/dbraw/zinc/54/00/51/569540051.db2.gz	DFBXKXOLVBDPCP-UHFFFAOYSA-N	-1	3	445.479	4.132	10	0		IIAEHM
Cc1cc(C)c(NC(=O)[C@@H](Cc2ccccc2)[N-]S(=O)(=O)c2cccs2)c(C)c1	ZINC000021651499	524300474	/nfs/dbraw/zinc/30/04/74/524300474.db2.gz	KLUJSGPBYPILLA-LJQANCHMSA-N	-1	3	428.579	4.202	10	0		IIAEHM
CCOc1c(CN[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc(Br)cc1OC	ZINC000010475453	556335849	/nfs/dbraw/zinc/33/58/49/556335849.db2.gz	JELGSYYCKSCKKY-SFHVURJKSA-N	-1	3	447.329	4.123	10	0		IIAEHM