smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN1c2cc(Cl)ccc2O/C1=C\C=C/c1oc2ccc(Cl)cc2[n+]1C	ZINC000042682575	211779317	/nfs/dbraw/zinc/77/93/17/211779317.db2.gz	KIWLITQBKREIOS-UHFFFAOYSA-N	1	0	374.247	4.948	1	10		FJCFRO
COc1cccc(-c2ccc(O)c(C[NH2+]C34CC5CC(CC(C5)C3)C4)c2)n1	ZINC000015003310	211113467	/nfs/dbraw/zinc/11/34/67/211113467.db2.gz	OGFKPRIAAKEUQJ-UHFFFAOYSA-N	1	0	364.489	4.521	1	10		FJCFRO
Nc1ccc(C[NH2+][C@H]2CC[C@@H](C(c3ccccc3)c3ccccc3)OC2)cc1	ZINC000036271628	205008749	/nfs/dbraw/zinc/00/87/49/205008749.db2.gz	VTGWHEQVLMWYAW-ZEQRLZLVSA-N	1	0	372.512	4.738	1	10		FJCFRO
COc1cccc2cc(C)c(-c3ccc4c(c3O)[C@@H](C)[NH2+][C@H](C)C4)c(O)c21	ZINC000015121588	291084982	/nfs/dbraw/zinc/08/49/82/291084982.db2.gz	BLXBQYFTXJFAFN-ZIAGYGMSSA-N	1	0	363.457	4.830	1	10	biogenic,in-vitro	FJCFRO
COc1cc(C)cc2ccc(-c3ccc4c(c3O)[C@@H](C)[NH2+][C@H](C)C4)c(O)c21	ZINC000005849399	291084673	/nfs/dbraw/zinc/08/46/73/291084673.db2.gz	UOMMAZXPQFOUSU-ZIAGYGMSSA-N	1	0	363.457	4.830	1	10	biogenic,in-vitro	FJCFRO
CCOc1ccc2[nH+]c3cc(NC(=O)c4ccc(C)cc4)ccc3c(N)c2c1	ZINC000039559661	205045499	/nfs/dbraw/zinc/04/54/99/205045499.db2.gz	MRYDZUWYFQMMIY-UHFFFAOYSA-N	1	0	371.440	4.930	1	10		FJCFRO
COc1cc(C)cc2ccc(-c3ccc4c(c3O)[C@H](C)[NH2+][C@H](C)C4)c(O)c21	ZINC000006484940	291084661	/nfs/dbraw/zinc/08/46/61/291084661.db2.gz	UOMMAZXPQFOUSU-KGLIPLIRSA-N	1	0	363.457	4.830	1	10	biogenic,in-vitro	FJCFRO
O=[N+](N=C1N=CC(c2ccccc2)C=N1)c1ncc(-c2ccccc2)cn1	ZINC000005922263	204230790	/nfs/dbraw/zinc/23/07/90/204230790.db2.gz	CPYUHZWAXRNZNN-OCEACIFDSA-N	1	0	354.373	4.526	1	10		FJCFRO
Oc1ccc(CCNc2[nH+]c3ccccc3c3[nH]c4ccccc4c32)cc1O	ZINC000045375200	205121796	/nfs/dbraw/zinc/12/17/96/205121796.db2.gz	WXKWOYVHNCHUOX-UHFFFAOYSA-N	1	0	369.424	4.935	1	10		FJCFRO
COc1cc(C)c(-c2ccc3c(c2O)[C@@H](C)[NH2+][C@H](C)C3)c2cccc(O)c12	ZINC000015121560	291084630	/nfs/dbraw/zinc/08/46/30/291084630.db2.gz	PBUONONRMDRRLQ-ZIAGYGMSSA-N	1	0	363.457	4.830	1	10	biogenic,in-vitro	FJCFRO
CCCCN[C@H](c1ccccc1O)[C@H]([NH2+]CCCC)c1ccccc1O	ZINC000027896699	538548321	/nfs/dbraw/zinc/54/83/21/538548321.db2.gz	NFHRPZIDRGLOPP-FGZHOGPDSA-N	1	0	356.510	4.660	1	10		FJCFRO
CCCCCCc1cc2c(s1)[C@H]1c3cc(O)c(O)cc3CC[C@@H]1[NH2+]C2	ZINC000013762010	220093888	/nfs/dbraw/zinc/09/38/88/220093888.db2.gz	RPOAEKBVMRYCPD-PXNSSMCTSA-N	1	0	357.519	4.832	1	10		FJCFRO
COc1cccc(C(=O)Nc2c3ccccc3nc3ccccc32)c1OC	ZINC000005550408	207105515	/nfs/dbraw/zinc/10/55/15/207105515.db2.gz	IWITURRCIJODSI-UHFFFAOYSA-N	1	0	358.397	4.658	1	10		FJCFRO
Nc1ccc(NC(=O)c2ccc(Nc3ccnc4ccccc43)cc2)cc1	ZINC000103245319	209249713	/nfs/dbraw/zinc/24/97/13/209249713.db2.gz	UCIZEGZPSMUBGV-UHFFFAOYSA-N	1	0	354.413	4.813	1	10		FJCFRO
Oc1cc2c(c(-c3ccc(Cl)cc3)c1O)CC[NH2+]C[C@H]2c1ccccc1	ZINC000040939388	220924894	/nfs/dbraw/zinc/92/48/94/220924894.db2.gz	KHKYWHMCFSEBHI-IBGZPJMESA-N	1	0	365.860	4.696	1	10		FJCFRO
Oc1cc2c(cc1O)[C@@H]1c3cc(C4CCCCC4)sc3C[NH2+][C@H]1CC2	ZINC000013762034	220093881	/nfs/dbraw/zinc/09/38/81/220093881.db2.gz	AWCWQIFJWRNJCA-HRAATJIYSA-N	1	0	355.503	4.757	1	10		FJCFRO
COc1ccc(N2CC[NH+](Cc3ccccc3-c3ccccc3)CC2)cc1	ZINC000096910223	132226153	/nfs/dbraw/zinc/22/61/53/132226153.db2.gz	OCJKEFFQAUMPTO-UHFFFAOYSA-N	1	0	358.485	4.684	1	10		FJCFRO
Cc1ccc2[o+]c(C=CC=C3Oc4ccc(Cl)cc4N3C)n(C)c2c1	ZINC000169323877	209518139	/nfs/dbraw/zinc/51/81/39/209518139.db2.gz	PKDHKDJIOXDRGW-UHFFFAOYSA-N	1	0	353.829	4.603	1	10		FJCFRO
NC(=[NH2+])Nc1ccc(OC(=O)c2ccc(N=Nc3ccccc3)cc2)cc1	ZINC000096900998	222136472	/nfs/dbraw/zinc/13/64/72/222136472.db2.gz	IXMHYHXZICGYQS-IZHYLOQSSA-N	1	0	359.389	4.627	1	10		FJCFRO
COc1cc(C)cc2c(-c3ccc(O)c4c3C[C@@H](C)[NH2+][C@@H]4C)ccc(O)c12	ZINC000095485881	291084683	/nfs/dbraw/zinc/08/46/83/291084683.db2.gz	PETBTVKZGRITLO-ZIAGYGMSSA-N	1	0	363.457	4.830	1	10	biogenic,in-vitro	FJCFRO
CC[N@@H+]1CCc2cc(-c3ccc(O)cc3)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3	ZINC000042989613	208298382	/nfs/dbraw/zinc/29/83/82/208298382.db2.gz	LXMBBFMKKSPIBR-HXUWFJFHSA-N	1	0	373.452	4.613	1	10	in-vitro	FJCFRO
COc1cc2c(ccc(-c3ccc4c(c3O)[C@@H](C)[NH2+][C@H](C)C4)c2O)cc1C	ZINC000095485906	291084689	/nfs/dbraw/zinc/08/46/89/291084689.db2.gz	YUXLLXSPQDDOEE-ZIAGYGMSSA-N	1	0	363.457	4.830	1	10	biogenic,in-vitro	FJCFRO
CN(CC[NH+]1CCCC1)c1ccc(OC23CC4CC(CC(C4)C2)C3)cc1	ZINC000039239947	208208155	/nfs/dbraw/zinc/20/81/55/208208155.db2.gz	RLTNLABZOQWBMP-UHFFFAOYSA-N	1	0	354.538	4.566	1	10		FJCFRO
CN(C)c1ccc(CN2CCC([NH2+][C@@H]3C[C@H]4CC[C@]3(C)C4(C)C)CC2)cc1	ZINC000040892029	208274352	/nfs/dbraw/zinc/27/43/52/208274352.db2.gz	YIPNKKSJZLSJCZ-CKUXNOBLSA-N	1	0	369.597	4.521	1	10		FJCFRO
Cc1ccc2[o+]c(C=CC=C3Sc4ccc(F)cc4N3C)n(C)c2c1	ZINC000169323907	222560927	/nfs/dbraw/zinc/56/09/27/222560927.db2.gz	FNKCSEAKELBRPB-UHFFFAOYSA-N	1	0	353.442	4.802	1	10		FJCFRO