smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
c1nc(Nc2ccc3c[nH+]ccc3c2)oc1-c1ccccc1	ZINC000001492373	169709337	/nfs/dbraw/zinc/70/93/37/169709337.db2.gz	WJLFJTMIIKHLCP-UHFFFAOYSA-N	1	2	287.322	4.633	1	0		CJAFLO
CCCCCCOc1ccc2c(c1)[nH]c1c2cc[nH+]c1C	ZINC000005973064	170164561	/nfs/dbraw/zinc/16/45/61/170164561.db2.gz	WEBAZRPFMUVCHP-UHFFFAOYSA-N	1	2	282.387	4.984	1	0		CJAFLO
CC(=O)CCCCCCCCCCc1[nH+]c(C)ccc1O	ZINC000014490919	560221941	/nfs/dbraw/zinc/22/19/41/560221941.db2.gz	YLQYCJRZGMOQIA-UHFFFAOYSA-N	1	2	291.435	4.738	1	0	biogenic,in-vitro	CJAFLO
COc1cc(CCCCCCCC(C)=O)[nH+]c2ccccc21	ZINC000014614450	560223205	/nfs/dbraw/zinc/22/32/05/560223205.db2.gz	HTCHZSPYYBTSKN-UHFFFAOYSA-N	1	2	299.414	4.716	1	0	biogenic,in-vitro	CJAFLO
c1ccc(Nc2c(-c3ccccc3)[nH+]c3ccccn32)cc1	ZINC000040379712	174250164	/nfs/dbraw/zinc/25/01/64/174250164.db2.gz	PJEVDMAWKDAPSN-UHFFFAOYSA-N	1	2	285.350	4.745	1	0	in-vivo	CJAFLO
CCC[C@@H](c1ccc(-c2ccccc2)cc1)n1cc[nH+]c1	ZINC000040380617	174250799	/nfs/dbraw/zinc/25/07/99/174250799.db2.gz	SLKWPFBZPUBKHY-IBGZPJMESA-N	1	2	276.383	4.940	1	0	in-vivo	CJAFLO
CCC[C@H](c1ccc(-c2ccccc2)cc1)n1cc[nH+]c1	ZINC000040380618	174250899	/nfs/dbraw/zinc/25/08/99/174250899.db2.gz	SLKWPFBZPUBKHY-LJQANCHMSA-N	1	2	276.383	4.940	1	0	in-vivo	CJAFLO
CC[C@@H](c1ccc(-c2ccc(F)cc2)cc1)n1cc[nH+]c1	ZINC000040979620	174444931	/nfs/dbraw/zinc/44/49/31/174444931.db2.gz	KLKPPBLZHPPOIH-SFHVURJKSA-N	1	2	280.346	4.689	1	0		CJAFLO
CC[C@H](c1ccc(-c2ccc(OC)cc2)cc1)n1cc[nH+]c1	ZINC000043022953	174945392	/nfs/dbraw/zinc/94/53/92/174945392.db2.gz	MXGGEXTWVYTKEG-LJQANCHMSA-N	1	2	292.382	4.558	1	0		CJAFLO
Nc1[nH+]cc(-c2ccccc2)cc1-c1cccc2ncccc21	ZINC000045167560	175319530	/nfs/dbraw/zinc/31/95/30/175319530.db2.gz	JJWJNXDRYFWKHZ-UHFFFAOYSA-N	1	2	297.361	4.546	1	0		CJAFLO
Cc1[nH]c(-c2coc(-c3c(C)cccc3C)c2)[nH+]c1C	ZINC000045337384	175360614	/nfs/dbraw/zinc/36/06/14/175360614.db2.gz	PPIXQIIYRAQKQC-UHFFFAOYSA-N	1	2	266.344	4.570	1	0		CJAFLO
CCCCOc1cc2cc(C)[nH+]c3cc(C)oc(c1)c23	ZINC000045348020	175361790	/nfs/dbraw/zinc/36/17/90/175361790.db2.gz	XCZFJRXDXPQLGM-UHFFFAOYSA-N	1	2	269.344	4.777	1	0		CJAFLO
Cc1[nH]c(-c2ccc(-c3c(C)cccc3C)cc2)[nH+]c1C	ZINC000045355722	175362155	/nfs/dbraw/zinc/36/21/55/175362155.db2.gz	ISIWHSRQISJNTI-UHFFFAOYSA-N	1	2	276.383	4.977	1	0		CJAFLO
Cc1[nH]c(-c2cccc(-c3ccccc3C)c2)[nH+]c1C	ZINC000045358664	175362326	/nfs/dbraw/zinc/36/23/26/175362326.db2.gz	GBHJSTUQYYZQSY-UHFFFAOYSA-N	1	2	262.356	4.669	1	0		CJAFLO
Cc1[nH+]c(-c2cccc(-c3c(C)cccc3C)c2)n(C)c1C	ZINC000045366046	175362607	/nfs/dbraw/zinc/36/26/07/175362607.db2.gz	AFEIJUGUKRDFSB-UHFFFAOYSA-N	1	2	290.410	4.988	1	0		CJAFLO
Cc1[nH+]c(-c2cccc(-c3c(C)cccc3C)c2)cn1C	ZINC000045366052	175362309	/nfs/dbraw/zinc/36/23/09/175362309.db2.gz	VDRUTAGAFRMOAI-UHFFFAOYSA-N	1	2	276.383	4.679	1	0		CJAFLO
Cc1[nH]c(-c2cccc(-c3c(C)cccc3C)c2)[nH+]c1C	ZINC000045367521	175362963	/nfs/dbraw/zinc/36/29/63/175362963.db2.gz	SOQNSMLLFJYLMN-UHFFFAOYSA-N	1	2	276.383	4.977	1	0		CJAFLO
Cc1cscc1-c1cccc(-c2[nH]c(C)c(C)[nH+]2)c1	ZINC000045386251	175372236	/nfs/dbraw/zinc/37/22/36/175372236.db2.gz	ZTGSCJCUPYZCOR-UHFFFAOYSA-N	1	2	268.385	4.730	1	0		CJAFLO
Cc1[nH]c(-c2cccc(/C=C/c3ccccc3)c2)[nH+]c1C	ZINC000045394013	175376191	/nfs/dbraw/zinc/37/61/91/175376191.db2.gz	OMHSTVRDTWTYAU-VAWYXSNFSA-N	1	2	274.367	4.864	1	0		CJAFLO
Cc1[nH]c(-c2cccc(C=Cc3ccccc3)c2)[nH+]c1C	ZINC000045394013	175376190	/nfs/dbraw/zinc/37/61/90/175376190.db2.gz	OMHSTVRDTWTYAU-VAWYXSNFSA-N	1	2	274.367	4.864	1	0		CJAFLO
Cc1c2cc(Cl)ccc2sc1-c1cc[nH+]c(N)c1	ZINC000049047863	525953829	/nfs/dbraw/zinc/95/38/29/525953829.db2.gz	WEBLNFBGYPOHIG-UHFFFAOYSA-N	1	2	274.776	4.507	1	0		CJAFLO
CCCCCC(=O)CCCCCCc1ccc(O)c(C)[nH+]1	ZINC000049048033	290878788	/nfs/dbraw/zinc/87/87/88/290878788.db2.gz	PNDONWACGNWBOR-UHFFFAOYSA-N	1	2	291.435	4.738	1	0	biogenic,in-vitro	CJAFLO
CCOc1c(C)cc2c(c1C)CCC1(CCCCC1)[NH2+]2	ZINC000055646825	520593045	/nfs/dbraw/zinc/59/30/45/520593045.db2.gz	MMUARUHBRZWQSM-UHFFFAOYSA-N	1	2	273.420	4.763	1	0		CJAFLO
Cc1ccccc1CNc1cc2c(c[nH+]1)[nH]c1ccccc12	ZINC000072175402	176334362	/nfs/dbraw/zinc/33/43/62/176334362.db2.gz	BKWWQRJEGUKPTR-UHFFFAOYSA-N	1	2	287.366	4.637	1	0		CJAFLO
Cc1cccc(CNc2[nH+]ccc3c4ccccc4[nH]c32)c1	ZINC000072176025	176334272	/nfs/dbraw/zinc/33/42/72/176334272.db2.gz	IKPQPHRJTSWSRY-UHFFFAOYSA-N	1	2	287.366	4.637	1	0		CJAFLO
Cc1ccc(CNc2[nH+]ccc3c4ccccc4[nH]c32)cc1	ZINC000072176686	176334020	/nfs/dbraw/zinc/33/40/20/176334020.db2.gz	MZJMXRVALQPDRI-UHFFFAOYSA-N	1	2	287.366	4.637	1	0		CJAFLO
Cc1ccccc1CNc1[nH+]ccc2c3ccccc3[nH]c21	ZINC000072176776	176334364	/nfs/dbraw/zinc/33/43/64/176334364.db2.gz	DVAOKZYYZGAZCF-UHFFFAOYSA-N	1	2	287.366	4.637	1	0		CJAFLO
Cc1cccc(CNc2cc3c(c[nH+]2)[nH]c2ccccc23)c1	ZINC000072177338	176334261	/nfs/dbraw/zinc/33/42/61/176334261.db2.gz	WKNRPFDGPVSQRY-UHFFFAOYSA-N	1	2	287.366	4.637	1	0		CJAFLO
Cc1ccc(CNc2cc3c(c[nH+]2)[nH]c2ccccc23)cc1	ZINC000072177339	176334353	/nfs/dbraw/zinc/33/43/53/176334353.db2.gz	QOKOYRIYACUDGV-UHFFFAOYSA-N	1	2	287.366	4.637	1	0		CJAFLO
c1ccc(-c2[nH]c3c(cccc3NC3CCCC3)[nH+]2)cc1	ZINC000095561811	185009004	/nfs/dbraw/zinc/00/90/04/185009004.db2.gz	LGSRYOFSTJLCST-UHFFFAOYSA-N	1	2	277.371	4.584	1	0		CJAFLO
Cc1cc(Oc2cccc(O)c2)cc(-c2ccccc2)[nH+]1	ZINC000095576518	185011285	/nfs/dbraw/zinc/01/12/85/185011285.db2.gz	SJHYRSDSTDNDIP-UHFFFAOYSA-N	1	2	277.323	4.555	1	0	in-vitro	CJAFLO
COc1cccc(Oc2cc(C)[nH+]c(-c3ccccc3)c2)c1	ZINC000095579299	185011553	/nfs/dbraw/zinc/01/15/53/185011553.db2.gz	DCBQPDIKYSSVDF-UHFFFAOYSA-N	1	2	291.350	4.858	1	0		CJAFLO
CCn1c2cc(OCC(C)C)ccc2c2cc[nH+]c(C)c21	ZINC000095595532	185015589	/nfs/dbraw/zinc/01/55/89/185015589.db2.gz	QUDVBRBLKVUKOB-UHFFFAOYSA-N	1	2	282.387	4.553	1	0		CJAFLO
CCCCOc1ccc2c3cc[nH+]c(C)c3n(CC)c2c1	ZINC000095596531	185015172	/nfs/dbraw/zinc/01/51/72/185015172.db2.gz	LFRZJCLSYGWKAZ-UHFFFAOYSA-N	1	2	282.387	4.697	1	0		CJAFLO
Clc1cc2c(s1)CC[N@@H+](Cc1ccccc1Cl)C2	ZINC000095617646	571795501	/nfs/dbraw/zinc/79/55/01/571795501.db2.gz	INYHLAYOOFHUNE-UHFFFAOYSA-N	1	2	298.238	4.613	1	0	endogenous,world	CJAFLO
Clc1cc2c(s1)CC[N@H+](Cc1ccccc1Cl)C2	ZINC000095617646	571795497	/nfs/dbraw/zinc/79/54/97/571795497.db2.gz	INYHLAYOOFHUNE-UHFFFAOYSA-N	1	2	298.238	4.613	1	0	endogenous,world	CJAFLO
Cc1ccc(NC2=[NH+]CCC3(CCCCC3)S2)cc1	ZINC000169308898	188656674	/nfs/dbraw/zinc/65/66/74/188656674.db2.gz	HRKHXUPHZVHKJA-UHFFFAOYSA-N	1	2	274.433	4.603	1	0		CJAFLO
CCc1ccc(NC2=[NH+]CCC3(CCCCC3)S2)cc1	ZINC000169308907	188657152	/nfs/dbraw/zinc/65/71/52/188657152.db2.gz	FSJQSOUIZKKLDT-UHFFFAOYSA-N	1	2	288.460	4.857	1	0		CJAFLO
c1cn2cc(-c3cccc4c5ccccc5oc43)ccc2[nH+]1	ZINC000061930216	526539781	/nfs/dbraw/zinc/53/97/81/526539781.db2.gz	AVAUFDSLQBDSKG-UHFFFAOYSA-N	1	2	284.318	4.901	3	0		CJAFLO
Cc1ccc2[nH+]c(C(C)(C)C)c(Cc3cccc(F)c3)n2c1	ZINC000072136102	176322347	/nfs/dbraw/zinc/32/23/47/176322347.db2.gz	AVERZJUAFKQPSW-UHFFFAOYSA-N	1	2	296.389	4.670	3	0		CJAFLO
Cc1ccc2[nH+]c(C(C)(C)C)c(Cc3ccsc3)n2c1	ZINC000072138237	176322979	/nfs/dbraw/zinc/32/29/79/176322979.db2.gz	KECSVAGADREPMH-UHFFFAOYSA-N	1	2	284.428	4.593	3	0		CJAFLO
CCCc1[nH+]c2ccc(Cl)cn2c1Cc1ccc(C)cc1	ZINC000072138569	176323120	/nfs/dbraw/zinc/32/31/20/176323120.db2.gz	IXXZMZSOLVPQTK-UHFFFAOYSA-N	1	2	298.817	4.839	3	0		CJAFLO
CCCc1[nH+]c2ccc(Cl)cn2c1Cc1ccccc1	ZINC000095566139	185010475	/nfs/dbraw/zinc/01/04/75/185010475.db2.gz	YPIFJHNBKWFRML-UHFFFAOYSA-N	1	2	284.790	4.531	3	0		CJAFLO