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(NC[C@@H](c1cccs1)S(=O)(=O)c1cccs1)C1CCCCC1	ZINC000004553715	204051753	/nfs/dbraw/zinc/05/17/53/204051753.db2.gz	SNUBXPGJMADKER-HNNXBMFYSA-N	0	2	383.560	4.021	10	0		GIAELN
CC(C)(C)c1ccc(S(=O)(=O)Nc2cnn(Cc3cccc(F)c3)c2)cc1	ZINC000028220476	206031960	/nfs/dbraw/zinc/03/19/60/206031960.db2.gz	FNCIPRZRIQUITR-UHFFFAOYSA-N	0	2	387.480	4.169	10	0		GIAELN
CCc1c(C)[nH+]c(-c2ccc(C(F)(F)F)cc2)nc1N1CCC(C(=O)[O-])CC1	ZINC000073681922	523708358	/nfs/dbraw/zinc/70/83/58/523708358.db2.gz	LAQBWTGQZIYTKZ-UHFFFAOYSA-N	0	2	393.409	4.334	10	0		GIAELN
CCc1cc(N2CCCC[C@H]2C(=O)[O-])nc(-c2ccc(C(F)(F)F)cc2)[nH+]1	ZINC000073679659	523793010	/nfs/dbraw/zinc/79/30/10/523793010.db2.gz	JUXYGUWYSZMTRC-HNNXBMFYSA-N	0	2	379.382	4.168	10	0		GIAELN
CCc1cc(N2CCC[C@@H](C(=O)[O-])C2)nc(-c2ccc(C(F)(F)F)cc2)[nH+]1	ZINC000073680676	523794130	/nfs/dbraw/zinc/79/41/30/523794130.db2.gz	KETAJLQEESVVCA-CYBMUJFWSA-N	0	2	379.382	4.026	10	0		GIAELN
CC(C)(C)c1ccc(S(=O)(=O)Nc2ccn(Cc3cccc(F)c3)n2)cc1	ZINC000027916677	206019709	/nfs/dbraw/zinc/01/97/09/206019709.db2.gz	CLUKLYNTJYOBRI-UHFFFAOYSA-N	0	2	387.480	4.169	10	0		GIAELN
O=S(=O)(Nc1cnn(Cc2cccc(F)c2)c1)c1ccc2ccccc2c1	ZINC000028233292	206036210	/nfs/dbraw/zinc/03/62/10/206036210.db2.gz	QLVGXIIWLXDQTI-UHFFFAOYSA-N	0	2	381.432	4.025	10	0		GIAELN
CCc1c(C)[nH+]c(-c2ccc(C(F)(F)F)cc2)nc1N1CCC[C@H](C(=O)[O-])C1	ZINC000073680719	523708506	/nfs/dbraw/zinc/70/85/06/523708506.db2.gz	AQBNDVPEMAJMRH-AWEZNQCLSA-N	0	2	393.409	4.334	10	0		GIAELN
COc1cc(-c2cc(O)c3c(=O)cc(O)c(CC=C(C)C)c-3o2)cc(OC)c1O	ZINC000005430809	560201924	/nfs/dbraw/zinc/20/19/24/560201924.db2.gz	FGQYLXHJJYBZGT-UHFFFAOYSA-N	0	2	398.411	4.103	10	0	biogenic,in-vitro	GIAELN
COc1cc(-c2cc(=O)c3c(O)cc(O)c(CC=C(C)C)c3o2)cc(OC)c1O	ZINC000005430809	560201926	/nfs/dbraw/zinc/20/19/26/560201926.db2.gz	FGQYLXHJJYBZGT-UHFFFAOYSA-N	0	2	398.411	4.103	10	0	biogenic,in-vitro	GIAELN
O=C(CSc1nnc(C=Cc2ccccc2)c(=O)[nH]1)Nc1ccc(Cl)cc1	ZINC000027300726	207324129	/nfs/dbraw/zinc/32/41/29/207324129.db2.gz	ZLQDSVGRRTUDEF-IZZDOVSWSA-N	0	2	398.875	4.132	10	0		GIAELN
COc1cc2[nH]c(=S)n(Cc3ccc(Cl)c(Cl)c3)c(=O)c2cc1OC	ZINC000073659328	523067148	/nfs/dbraw/zinc/06/71/48/523067148.db2.gz	XIZFAJMAPUIXAO-UHFFFAOYSA-N	0	2	397.283	4.058	10	0		GIAELN
CCc1c(C)[nH+]c(-c2ccc(C(F)(F)F)cc2)nc1N1CCCC[C@@H]1C(=O)[O-]	ZINC000073679698	523708642	/nfs/dbraw/zinc/70/86/42/523708642.db2.gz	CJBWVQRZNQZBIB-MRXNPFEDSA-N	0	2	393.409	4.477	10	0		GIAELN
COc1ccc(C2=C(O)[C@@H]3[C@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1	ZINC000004337218	570369505	/nfs/dbraw/zinc/36/95/05/570369505.db2.gz	GPJTYWLDWLTHOY-KSLQBLBNSA-N	0	2	380.443	4.454	10	0		GIAELN
CCc1c(C)[nH+]c(-c2ccc(C(F)(F)F)cc2)nc1N1CCC[C@@H](C(=O)[O-])C1	ZINC000073680725	523708130	/nfs/dbraw/zinc/70/81/30/523708130.db2.gz	AQBNDVPEMAJMRH-CQSZACIVSA-N	0	2	393.409	4.334	10	0		GIAELN
CCc1cc(N2CCC[C@H](C(=O)[O-])C2)nc(-c2ccc(C(F)(F)F)cc2)[nH+]1	ZINC000073680659	523793781	/nfs/dbraw/zinc/79/37/81/523793781.db2.gz	KETAJLQEESVVCA-ZDUSSCGKSA-N	0	2	379.382	4.026	10	0		GIAELN
Cc1[nH+]c(-c2ccc(C(F)(F)F)cc2)nc(N2CCCC[C@@H]2C(=O)[O-])c1C	ZINC000073679684	526565094	/nfs/dbraw/zinc/56/50/94/526565094.db2.gz	NJTYWQQSMPIMNA-OAHLLOKOSA-N	0	2	379.382	4.223	10	0		GIAELN
Cc1ccc(NC(=O)CSc2nnc(C=Cc3ccccc3)c(=O)[nH]2)c(C)c1	ZINC000027300500	207324937	/nfs/dbraw/zinc/32/49/37/207324937.db2.gz	XSSSJLFRMTVCFY-PKNBQFBNSA-N	0	2	392.484	4.095	10	0		GIAELN
CCc1cc(N2CCCC[C@@H]2C(=O)[O-])nc(-c2ccc(C(F)(F)F)cc2)[nH+]1	ZINC000073679653	523793139	/nfs/dbraw/zinc/79/31/39/523793139.db2.gz	JUXYGUWYSZMTRC-OAHLLOKOSA-N	0	2	379.382	4.168	10	0		GIAELN
CCc1c(C)[nH+]c(-c2ccc(C(F)(F)F)cc2)nc1N1CCCC[C@H]1C(=O)[O-]	ZINC000073679703	523708286	/nfs/dbraw/zinc/70/82/86/523708286.db2.gz	CJBWVQRZNQZBIB-INIZCTEOSA-N	0	2	393.409	4.477	10	0		GIAELN
Cc1[nH+]c(-c2ccc(C(F)(F)F)cc2)nc(N2CCC(C(=O)[O-])CC2)c1C	ZINC000073681915	526564776	/nfs/dbraw/zinc/56/47/76/526564776.db2.gz	GNHPICGYKQEEEG-UHFFFAOYSA-N	0	2	379.382	4.080	10	0		GIAELN
Cc1[nH+]c(-c2ccc(C(F)(F)F)cc2)nc(N2CCC[C@@H](C(=O)[O-])C2)c1C	ZINC000073680702	526565002	/nfs/dbraw/zinc/56/50/02/526565002.db2.gz	NGFOYOUWAKGKLT-CQSZACIVSA-N	0	2	379.382	4.080	10	0		GIAELN
COc1cc(O)cc2occ(-c3cc(O)c(OC)c(CC=C(C)C)c3)c(=O)c12	ZINC000014763003	209235785	/nfs/dbraw/zinc/23/57/85/209235785.db2.gz	UWXYUEZCGLSJLG-UHFFFAOYSA-N	0	2	382.412	4.397	10	0		GIAELN
Cc1[nH+]c(-c2ccc(C(F)(F)F)cc2)nc(N2CCC[C@H](C(=O)[O-])C2)c1C	ZINC000073680695	526564268	/nfs/dbraw/zinc/56/42/68/526564268.db2.gz	NGFOYOUWAKGKLT-AWEZNQCLSA-N	0	2	379.382	4.080	10	0		GIAELN
O=c1[nH]c(Nc2ccc(C(F)(F)F)cc2)nnc1Cc1ccccc1Cl	ZINC000002718993	209379409	/nfs/dbraw/zinc/37/94/09/209379409.db2.gz	SMTXBTZJMGXEML-UHFFFAOYSA-N	0	2	380.757	4.172	10	0		GIAELN
Cc1nn(-c2ccc(F)cc2)c(C)c1NS(=O)(=O)c1ccc(Cl)cc1	ZINC000002631219	209372845	/nfs/dbraw/zinc/37/28/45/209372845.db2.gz	CITLAZVCZKSNTI-UHFFFAOYSA-N	0	2	379.844	4.082	10	0		GIAELN
CCCc1cc(N2CCC(C(=O)[O-])CC2)nc(-c2ccc(C(F)(F)F)cc2)[nH+]1	ZINC000073681910	521365776	/nfs/dbraw/zinc/36/57/76/521365776.db2.gz	VXRFWQLKOFVOAO-UHFFFAOYSA-N	0	2	393.409	4.416	10	0		GIAELN
Cc1noc(C)c1S(=O)(=O)Nc1cccc(-c2cc3cc(F)ccc3[nH]2)c1	ZINC000033106143	570402175	/nfs/dbraw/zinc/40/21/75/570402175.db2.gz	BSLXKTWUWSKGJK-UHFFFAOYSA-N	0	2	385.420	4.380	10	0		GIAELN
COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2OC)cc(CC=C(C)C)c1O	ZINC000101775737	209243515	/nfs/dbraw/zinc/24/35/15/209243515.db2.gz	TVJIUFQDDVFOCS-UHFFFAOYSA-N	0	2	398.411	4.103	10	0		GIAELN
O=S(=O)(Nc1ccc(C(F)(F)F)cc1)c1cc(Br)cs1	ZINC000090557517	211034531	/nfs/dbraw/zinc/03/45/31/211034531.db2.gz	VTKKMQPZSIZLDU-UHFFFAOYSA-N	0	2	386.214	4.330	10	0		GIAELN
Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C(C)C)cc3)cc2)no1	ZINC000001284202	212233820	/nfs/dbraw/zinc/23/38/20/212233820.db2.gz	OXLMWKBWNBGVQT-UHFFFAOYSA-N	0	2	399.472	4.160	10	0		GIAELN
CCc1cc(N2CCC(C(=O)[O-])CC2)nc(-c2ccc(C(F)(F)F)cc2)[nH+]1	ZINC000073681899	523791606	/nfs/dbraw/zinc/79/16/06/523791606.db2.gz	JJKNVCBLZTUNJN-UHFFFAOYSA-N	0	2	379.382	4.026	10	0		GIAELN
Nc1ccccc1NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl	ZINC000034955852	221810575	/nfs/dbraw/zinc/81/05/75/221810575.db2.gz	ZGSOLWROIAEGKV-UHFFFAOYSA-N	0	2	396.093	4.139	10	0		GIAELN
Cc1[nH+]c(-c2ccc(C(F)(F)F)cc2)nc(N2CCCC[C@H]2C(=O)[O-])c1C	ZINC000073679685	526565011	/nfs/dbraw/zinc/56/50/11/526565011.db2.gz	NJTYWQQSMPIMNA-HNNXBMFYSA-N	0	2	379.382	4.223	10	0		GIAELN
CCCc1cc(N2CCC[C@@H](C(=O)[O-])C2)nc(-c2ccc(C(F)(F)F)cc2)[nH+]1	ZINC000073680688	521369273	/nfs/dbraw/zinc/36/92/73/521369273.db2.gz	INEUKTXPAUDQAY-CQSZACIVSA-N	0	2	393.409	4.416	10	0		GIAELN
CCCc1cc(N2CCC[C@H](C(=O)[O-])C2)nc(-c2ccc(C(F)(F)F)cc2)[nH+]1	ZINC000073680685	521369212	/nfs/dbraw/zinc/36/92/12/521369212.db2.gz	INEUKTXPAUDQAY-AWEZNQCLSA-N	0	2	393.409	4.416	10	0		GIAELN