smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(/C=C/C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)c(OC)c1OC	ZINC000216931489	568469318	/nfs/dbraw/zinc/46/93/18/568469318.db2.gz	PMDFGMZBOYEQNB-WUXMJOGZSA-N	1	0	411.502	3.116	40	70		HGIBRO
C[NH+]1CCC(NC(=O)c2ccc([C@@H]3SCC(=O)N3CCc3ccccc3)cc2)CC1	ZINC000218325294	568478512	/nfs/dbraw/zinc/47/85/12/568478512.db2.gz	CTQPFZHKOPLTHC-DEOSSOPVSA-N	1	0	423.582	3.327	40	70		HGIBRO
Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)NC3CC[NH+](C)CC3)ccc2C)c1	ZINC000216940638	568469417	/nfs/dbraw/zinc/46/94/17/568469417.db2.gz	HWQJNYBXESWJEZ-UHFFFAOYSA-N	1	0	415.559	3.237	40	70		HGIBRO
C[NH+]1CCC(Oc2ccc(CNS(=O)(=O)Cc3ccc(Cl)cc3)cc2)CC1	ZINC000216948311	568469716	/nfs/dbraw/zinc/46/97/16/568469716.db2.gz	OSMMZEDANYREFJ-UHFFFAOYSA-N	1	0	408.951	3.433	40	70		HGIBRO
C[NH+]1CCC(NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)CC1	ZINC000218093912	568475193	/nfs/dbraw/zinc/47/51/93/568475193.db2.gz	HTYXQXXSJBKBER-HSZRJFAPSA-N	1	0	409.555	3.285	40	70		HGIBRO
Cc1cccc(NS(=O)(=O)c2cc(C(=O)NC3CC[NH+](C)CC3)ccc2C)c1C	ZINC000216940534	568469404	/nfs/dbraw/zinc/46/94/04/568469404.db2.gz	LOFARMUCDLVVMR-UHFFFAOYSA-N	1	0	415.559	3.237	40	70		HGIBRO
Cc1ccc(C(=O)NCCC2CC[NH+](C)CC2)cc1S(=O)(=O)N1CCCCCC1	ZINC000216942787	568469624	/nfs/dbraw/zinc/46/96/24/568469624.db2.gz	IIUNECLOEOAURZ-UHFFFAOYSA-N	1	0	421.607	3.021	40	70		HGIBRO
O=c1cccc2n1C[C@H]1C[C@@H]2C[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Cl)C1	ZINC000217440161	568471975	/nfs/dbraw/zinc/47/19/75/568471975.db2.gz	RJIRXXZCCHBEJI-SQWLQELKSA-N	1	0	409.313	3.014	40	70		HGIBRO
COc1ccc(CCC(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)cc1OC	ZINC000217021375	568470164	/nfs/dbraw/zinc/47/01/64/568470164.db2.gz	ICSZLCVKFQNUFE-UHFFFAOYSA-N	1	0	412.530	3.426	40	70		HGIBRO
C[NH+]1CCN(CCCNC(=O)c2ccc(OCc3ccccc3Cl)cc2)CC1	ZINC000217013767	568470238	/nfs/dbraw/zinc/47/02/38/568470238.db2.gz	ZAKWDHVELMALSC-UHFFFAOYSA-N	1	0	401.938	3.286	40	70		HGIBRO
O=C(C1=C2C(O)N(c3ccccc3Cl)C(=O)[C@@H]2[C@H]2CCCN12)c1ccc(F)cc1	ZINC000217590526	568472910	/nfs/dbraw/zinc/47/29/10/568472910.db2.gz	TVDYMEYMPBZKCE-AKHDSKFASA-N	1	0	412.848	3.314	40	70		HGIBRO
COc1cccc(NC(=O)[C@H]2CC[C@H](CNC(=O)[C@@H]3Cc4ccccc4C[NH2+]3)CC2)c1	ZINC000217569758	568472929	/nfs/dbraw/zinc/47/29/29/568472929.db2.gz	WUSTVAJLTKMPTL-IXFSTUDKSA-N	1	0	421.541	3.271	40	70		HGIBRO
COc1ccc(-c2noc(CNC(=O)c3ccc(C[NH+]4CCCC4)cc3)n2)c(OC)c1	ZINC000218610982	568482496	/nfs/dbraw/zinc/48/24/96/568482496.db2.gz	TUKFKAWSSVRXIZ-UHFFFAOYSA-N	1	0	422.485	3.280	40	70		HGIBRO
Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)NC3CC[NH+](C)CC3)c2)cc1	ZINC000217021816	568470085	/nfs/dbraw/zinc/47/00/85/568470085.db2.gz	UUBFNYNBHZEMKO-UHFFFAOYSA-N	1	0	421.950	3.273	40	70		HGIBRO
Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCC3CC[NH+](C)CC3)cc2)cc1	ZINC000216940180	568469426	/nfs/dbraw/zinc/46/94/26/568469426.db2.gz	DGMPPIQVCWKUTF-UHFFFAOYSA-N	1	0	415.559	3.258	40	70		HGIBRO
Cc1ccc(C(=O)NCCC2CC[NH+](C)CC2)cc1NS(=O)(=O)c1ccccc1	ZINC000216944525	568469560	/nfs/dbraw/zinc/46/95/60/568469560.db2.gz	RJDQQSVMZNAWPH-UHFFFAOYSA-N	1	0	415.559	3.258	40	70		HGIBRO
Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NC3CC[NH+](C)CC3)cc2Cl)cc1	ZINC000217022407	568470395	/nfs/dbraw/zinc/47/03/95/568470395.db2.gz	LFESKDOXCNTSSW-UHFFFAOYSA-N	1	0	421.950	3.273	40	70		HGIBRO
C[NH+]1CCC(NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)CC1	ZINC000218093820	568475134	/nfs/dbraw/zinc/47/51/34/568475134.db2.gz	HTYXQXXSJBKBER-QHCPKHFHSA-N	1	0	409.555	3.285	40	70		HGIBRO
C[NH+]1CCC(NC(=O)c2ccc([C@H]3SCC(=O)N3CCc3ccccc3)cc2)CC1	ZINC000218325373	568478493	/nfs/dbraw/zinc/47/84/93/568478493.db2.gz	CTQPFZHKOPLTHC-XMMPIXPASA-N	1	0	423.582	3.327	40	70		HGIBRO
Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)NC3CC[NH+](C)CC3)ccc2C)c1	ZINC000216940684	568469452	/nfs/dbraw/zinc/46/94/52/568469452.db2.gz	XBFNZOSPXQRFHE-UHFFFAOYSA-N	1	0	415.559	3.237	40	70		HGIBRO
Cc1ccc(NS(=O)(=O)c2cc(C(=O)NC3CC[NH+](C)CC3)ccc2C)c(C)c1	ZINC000216940977	568469571	/nfs/dbraw/zinc/46/95/71/568469571.db2.gz	RQZCFKRAFMJEAU-UHFFFAOYSA-N	1	0	415.559	3.237	40	70		HGIBRO
C[NH+]1CCN(c2ccc(NC(=O)CN3c4cccc5cccc(c45)C3=O)cc2)CC1	ZINC000218322344	568478386	/nfs/dbraw/zinc/47/83/86/568478386.db2.gz	KFTPOOWYWOGXAP-UHFFFAOYSA-N	1	0	400.482	3.191	40	70		HGIBRO
CCOc1ccc(S(=O)(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)cc1	ZINC000216938355	568469395	/nfs/dbraw/zinc/46/93/95/568469395.db2.gz	KMLFWGHWWOGHHG-UHFFFAOYSA-N	1	0	404.532	3.037	40	70		HGIBRO
Cc1ccc(C(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)cc1NS(C)(=O)=O	ZINC000216944411	568469625	/nfs/dbraw/zinc/46/96/25/568469625.db2.gz	NAUBIIXAEQPWBL-UHFFFAOYSA-N	1	0	417.531	3.092	40	70		HGIBRO
Cc1ccc(C(=O)NCCC2CC[NH+](C)CC2)cc1S(=O)(=O)Nc1ccccc1	ZINC000216940394	568469493	/nfs/dbraw/zinc/46/94/93/568469493.db2.gz	LLSKSRWVTJSNHA-UHFFFAOYSA-N	1	0	415.559	3.258	40	70		HGIBRO
Cc1cc(C(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)ccc1NS(C)(=O)=O	ZINC000216944637	568469591	/nfs/dbraw/zinc/46/95/91/568469591.db2.gz	BRNSNGRNWQVPRB-UHFFFAOYSA-N	1	0	417.531	3.092	40	70		HGIBRO
Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)NCCC1CC[NH+](C)CC1	ZINC000216944295	568469612	/nfs/dbraw/zinc/46/96/12/568469612.db2.gz	JHAJHVTVNJUCBD-UHFFFAOYSA-N	1	0	415.559	3.258	40	70		HGIBRO
C[NH+]1CCC(Oc2ccc(CNS(=O)(=O)Cc3ccccc3Cl)cc2)CC1	ZINC000216948035	568469726	/nfs/dbraw/zinc/46/97/26/568469726.db2.gz	USRDVZVJQLSSAG-UHFFFAOYSA-N	1	0	408.951	3.433	40	70		HGIBRO
COc1ccc(S(=O)(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)cc1Cl	ZINC000216941820	568469627	/nfs/dbraw/zinc/46/96/27/568469627.db2.gz	YMHOCXKSSWKPEV-UHFFFAOYSA-N	1	0	424.950	3.300	40	70		HGIBRO
Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCCC3CC[NH+](C)CC3)c2)cc1	ZINC000216944097	568469595	/nfs/dbraw/zinc/46/95/95/568469595.db2.gz	PDMQJIJPYPQMMK-UHFFFAOYSA-N	1	0	415.559	3.258	40	70		HGIBRO
CN(c1ccc(C(=O)NCCC2CC[NH+](C)CC2)cc1)S(=O)(=O)c1cccs1	ZINC000216950070	568469777	/nfs/dbraw/zinc/46/97/77/568469777.db2.gz	ZRIQEBRLNKMRIK-UHFFFAOYSA-N	1	0	421.588	3.035	40	70		HGIBRO
Cc1c(NS(C)(=O)=O)cccc1C(=O)Nc1ccc(OC2CC[NH+](C)CC2)cc1	ZINC000216944173	568469620	/nfs/dbraw/zinc/46/96/20/568469620.db2.gz	RZCJOLMNGXKLGR-UHFFFAOYSA-N	1	0	417.531	3.092	40	70		HGIBRO
CSc1ccc(S(=O)(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)cc1	ZINC000216941895	568469575	/nfs/dbraw/zinc/46/95/75/568469575.db2.gz	UEUVPMJCJAIODS-UHFFFAOYSA-N	1	0	406.573	3.360	40	70		HGIBRO
COc1ccc(NC(=O)[C@H]2CC[C@H](CNC(=O)[C@@H]3Cc4ccccc4C[NH2+]3)CC2)cc1	ZINC000217601988	568473012	/nfs/dbraw/zinc/47/30/12/568473012.db2.gz	SRGJAYPBAXKOSF-IXFSTUDKSA-N	1	0	421.541	3.271	40	70		HGIBRO
COc1cc(OC)cc(OCC(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)c1	ZINC000217010509	568470216	/nfs/dbraw/zinc/47/02/16/568470216.db2.gz	PWTNEZBESQTNDJ-UHFFFAOYSA-N	1	0	400.475	3.194	40	70		HGIBRO
CCS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)cc1	ZINC000216945249	568469569	/nfs/dbraw/zinc/46/95/69/568469569.db2.gz	LTOFWRHUOFYQJU-UHFFFAOYSA-N	1	0	417.531	3.174	40	70		HGIBRO
Cc1ccc(NS(=O)(=O)c2cc(C(=O)NC3CC[NH+](C)CC3)ccc2C)cc1C	ZINC000216940590	568469497	/nfs/dbraw/zinc/46/94/97/568469497.db2.gz	GHWQJPSARPYYPE-UHFFFAOYSA-N	1	0	415.559	3.237	40	70		HGIBRO
Cc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NCCC1CC[NH+](C)CC1	ZINC000216945002	568469557	/nfs/dbraw/zinc/46/95/57/568469557.db2.gz	BVAPWKOURBLETM-UHFFFAOYSA-N	1	0	421.607	3.021	40	70		HGIBRO
C[NH+]1CCN(c2ccc(NS(=O)(=O)Cc3ccc(Br)cc3)cc2)CC1	ZINC000216948990	568469706	/nfs/dbraw/zinc/46/97/06/568469706.db2.gz	FONLWBYKVJAAGN-UHFFFAOYSA-N	1	0	424.364	3.143	40	70		HGIBRO
C[NH+]1CCC(Oc2ccc(CNS(=O)(=O)Cc3cccc(Cl)c3)cc2)CC1	ZINC000216948176	568469814	/nfs/dbraw/zinc/46/98/14/568469814.db2.gz	MDVVXWGCJIMCSY-UHFFFAOYSA-N	1	0	408.951	3.433	40	70		HGIBRO