smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[C@H](Oc1ccc(C)cc1)C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1	ZINC000217034870	570312314	/nfs/dbraw/zinc/31/23/14/570312314.db2.gz	SVZSEKLMENMAEL-QHCPKHFHSA-N	1	0	396.531	3.942	40	70		GHIBRO
CC(C)c1ccc2oc(=O)cc(C[N@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)c2c1	ZINC000217568230	570318516	/nfs/dbraw/zinc/31/85/16/570318516.db2.gz	HNQQIZKIRWUJKQ-QFBILLFUSA-N	1	0	390.483	3.697	40	70		GHIBRO
O=C(Cc1ccc2c(c1)CCO2)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@@H]34)[C@@H]21	ZINC000218002728	570323722	/nfs/dbraw/zinc/32/37/22/570323722.db2.gz	UVJUJZYEQVRBKF-XOEOCAAJSA-N	1	0	392.543	3.586	40	70		GHIBRO
CC[C@H](Oc1ccccc1C)C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1	ZINC000217025711	570311976	/nfs/dbraw/zinc/31/19/76/570311976.db2.gz	HUHIPOJFZTZHCE-QFIPXVFZSA-N	1	0	396.531	3.942	40	70		GHIBRO
C[NH+]1CCC(Oc2ccc(CNC(=O)CCSc3ccccc3)cc2)CC1	ZINC000216929438	570309393	/nfs/dbraw/zinc/30/93/93/570309393.db2.gz	UOQRCPWUUNCGQY-UHFFFAOYSA-N	1	0	384.545	3.958	40	70		GHIBRO
COc1ccc(/C=C/C(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)cc1OC	ZINC000216927062	570309661	/nfs/dbraw/zinc/30/96/61/570309661.db2.gz	CTIYNFREVMTFNO-VZUCSPMQSA-N	1	0	396.487	3.829	40	70		GHIBRO
Cc1cccc(O[C@H](C)C(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)c1	ZINC000216946064	570310032	/nfs/dbraw/zinc/31/00/32/570310032.db2.gz	LKWVIBHIQKOXHX-GOSISDBHSA-N	1	0	382.504	3.552	40	70		GHIBRO
C[NH+]1CCC(Oc2ccc(NC(=O)/C=C/c3ccc4c(c3)OCO4)cc2)CC1	ZINC000217934123	570322792	/nfs/dbraw/zinc/32/27/92/570322792.db2.gz	UWNKMVOVEFZDJH-YCRREMRBSA-N	1	0	380.444	3.540	40	70		GHIBRO
C[NH+]1CCC(Oc2ccc(CNC(=O)COc3ccc(Cl)cc3)cc2)CC1	ZINC000216925190	570309651	/nfs/dbraw/zinc/30/96/51/570309651.db2.gz	SCGCVRQGDYCOKK-UHFFFAOYSA-N	1	0	388.895	3.508	40	70		GHIBRO
C[C@H](NC(=O)c1ccccc1NC(=O)CC1CC[NH+](C)CC1)c1ccccc1	ZINC000216894856	570308996	/nfs/dbraw/zinc/30/89/96/570308996.db2.gz	MGZDXLXGGDBOMM-KRWDZBQOSA-N	1	0	379.504	3.848	40	70		GHIBRO
CC[C@@H](Oc1ccccc1C)C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1	ZINC000217025671	570311887	/nfs/dbraw/zinc/31/18/87/570311887.db2.gz	HUHIPOJFZTZHCE-JOCHJYFZSA-N	1	0	396.531	3.942	40	70		GHIBRO
Cc1ccc(O[C@H](C)C(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)c(C)c1	ZINC000217033121	570312220	/nfs/dbraw/zinc/31/22/20/570312220.db2.gz	UNZLQSZUZIMIKG-LJQANCHMSA-N	1	0	396.531	3.860	40	70		GHIBRO
CC(C)Oc1ccc(C(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)cc1	ZINC000217013432	205936899	/nfs/dbraw/zinc/93/68/99/205936899.db2.gz	OZSNURJVFVZMEQ-UHFFFAOYSA-N	1	0	382.504	3.877	40	70		GHIBRO
CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(OC2CC[NH+](C)CC2)cc1	ZINC000217027698	570312080	/nfs/dbraw/zinc/31/20/80/570312080.db2.gz	BARWJNGBHKFJHZ-JOCHJYFZSA-N	1	0	398.503	3.964	40	70		GHIBRO
CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(OC2CC[NH+](C)CC2)cc1	ZINC000216947409	570310290	/nfs/dbraw/zinc/31/02/90/570310290.db2.gz	XFVKOMWNEWSMJH-QFIPXVFZSA-N	1	0	398.503	3.964	40	70		GHIBRO
Cc1ccc(OCCCC(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)cc1	ZINC000216946649	570310374	/nfs/dbraw/zinc/31/03/74/570310374.db2.gz	MVBLDORUEGWJPL-UHFFFAOYSA-N	1	0	396.531	3.943	40	70		GHIBRO
COc1cccc(O[C@H](C)C(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)c1	ZINC000217024893	570311597	/nfs/dbraw/zinc/31/15/97/570311597.db2.gz	MMHGHWHXBXMBNE-MRXNPFEDSA-N	1	0	384.476	3.574	40	70		GHIBRO
O=C(NCCCN1CCCc2ccccc21)c1ccc(C[NH+]2CCCC2)cc1	ZINC000218612177	136203802	/nfs/dbraw/zinc/20/38/02/136203802.db2.gz	RZRTVFKRJJEMRG-UHFFFAOYSA-N	1	0	377.532	3.855	40	70		GHIBRO
Cc1ccc(C)c(O[C@@H](C)C(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)c1	ZINC000217015218	570311183	/nfs/dbraw/zinc/31/11/83/570311183.db2.gz	MRMTWPKGNDRHPP-IBGZPJMESA-N	1	0	396.531	3.860	40	70		GHIBRO
O=C(c1cc(-c2ccco2)n[nH]1)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@@H]34)[C@@H]21	ZINC000218045236	208833783	/nfs/dbraw/zinc/83/37/83/208833783.db2.gz	ZJMFCZQVQSFMSJ-KAULMNLWSA-N	1	0	392.503	3.705	40	70		GHIBRO
O=C(NCc1nc(-c2ccc(Cl)cc2)no1)c1ccc(C[NH+]2CCCC2)cc1	ZINC000218611086	570337827	/nfs/dbraw/zinc/33/78/27/570337827.db2.gz	HLTMRSGHVJXEOO-UHFFFAOYSA-N	1	0	396.878	3.916	40	70		GHIBRO
CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(OC2CC[NH+](C)CC2)cc1	ZINC000216947390	570310283	/nfs/dbraw/zinc/31/02/83/570310283.db2.gz	XFVKOMWNEWSMJH-JOCHJYFZSA-N	1	0	398.503	3.964	40	70		GHIBRO
Cc1ccc(O[C@@H](C)C(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)cc1C	ZINC000217032608	208826761	/nfs/dbraw/zinc/82/67/61/208826761.db2.gz	SGGLUFBNSPAJOD-IBGZPJMESA-N	1	0	396.531	3.860	40	70		GHIBRO
COc1ccc(O[C@@H](C)C(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)cc1	ZINC000216947190	570310368	/nfs/dbraw/zinc/31/03/68/570310368.db2.gz	XTNFAEPAALGDCT-INIZCTEOSA-N	1	0	384.476	3.574	40	70		GHIBRO
Cc1ccc(O[C@@H](C)C(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)cc1	ZINC000217012706	570311213	/nfs/dbraw/zinc/31/12/13/570311213.db2.gz	CXAWFBWYCMDCSS-SFHVURJKSA-N	1	0	382.504	3.552	40	70		GHIBRO
Cc1ccc(-c2noc(CNC(=O)c3ccc(C[NH+]4CCCCC4)cc3)n2)cc1	ZINC000218612610	570337930	/nfs/dbraw/zinc/33/79/30/570337930.db2.gz	XIGMZFZDGUINGD-UHFFFAOYSA-N	1	0	390.487	3.961	40	70		GHIBRO
C[NH+]1CCC(Oc2ccc(CNC(=O)COc3ccccc3Cl)cc2)CC1	ZINC000216950593	570310339	/nfs/dbraw/zinc/31/03/39/570310339.db2.gz	YIVGXYMIHRZLNX-UHFFFAOYSA-N	1	0	388.895	3.508	40	70		GHIBRO
Cc1cc(C)cc(O[C@@H](C)C(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)c1	ZINC000217033569	570312399	/nfs/dbraw/zinc/31/23/99/570312399.db2.gz	VJYYETZFIAUDBT-IBGZPJMESA-N	1	0	396.531	3.860	40	70		GHIBRO
CC[C@@H](Oc1ccc(C)cc1)C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1	ZINC000217034832	570312497	/nfs/dbraw/zinc/31/24/97/570312497.db2.gz	SVZSEKLMENMAEL-HSZRJFAPSA-N	1	0	396.531	3.942	40	70		GHIBRO
COc1ccccc1O[C@@H](C)C(=O)Nc1ccc(OC2CC[NH+](C)CC2)cc1	ZINC000217032031	570312049	/nfs/dbraw/zinc/31/20/49/570312049.db2.gz	NGYADSKMSCPHKZ-INIZCTEOSA-N	1	0	384.476	3.574	40	70		GHIBRO
COc1cccc(O[C@@H](C)C(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)c1	ZINC000217024859	570311415	/nfs/dbraw/zinc/31/14/15/570311415.db2.gz	MMHGHWHXBXMBNE-INIZCTEOSA-N	1	0	384.476	3.574	40	70		GHIBRO
Cc1ccccc1O[C@H](C)C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1	ZINC000217023052	570311604	/nfs/dbraw/zinc/31/16/04/570311604.db2.gz	HTHKYXVCUQZHBG-GOSISDBHSA-N	1	0	382.504	3.552	40	70		GHIBRO
COc1ccc(OCCCC(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)cc1	ZINC000216946813	570310324	/nfs/dbraw/zinc/31/03/24/570310324.db2.gz	SOVCXVLBXLKEFT-UHFFFAOYSA-N	1	0	398.503	3.966	40	70		GHIBRO
Cc1ccc(C)c(O[C@H](C)C(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)c1	ZINC000217015263	570311164	/nfs/dbraw/zinc/31/11/64/570311164.db2.gz	MRMTWPKGNDRHPP-LJQANCHMSA-N	1	0	396.531	3.860	40	70		GHIBRO
C[C@@H](NC(=O)c1ccccc1NC(=O)CC1CC[NH+](C)CC1)c1ccccc1	ZINC000216894822	570309172	/nfs/dbraw/zinc/30/91/72/570309172.db2.gz	MGZDXLXGGDBOMM-QGZVFWFLSA-N	1	0	379.504	3.848	40	70		GHIBRO
Cc1ccc(O[C@H](C)C(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)cc1	ZINC000217012744	570311172	/nfs/dbraw/zinc/31/11/72/570311172.db2.gz	CXAWFBWYCMDCSS-GOSISDBHSA-N	1	0	382.504	3.552	40	70		GHIBRO
Cc1ccc(O[C@H](C)C(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)cc1C	ZINC000217032649	570312120	/nfs/dbraw/zinc/31/21/20/570312120.db2.gz	SGGLUFBNSPAJOD-LJQANCHMSA-N	1	0	396.531	3.860	40	70		GHIBRO
Cc1ccc(O[C@@H](C)C(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)c(C)c1	ZINC000217033082	570312460	/nfs/dbraw/zinc/31/24/60/570312460.db2.gz	UNZLQSZUZIMIKG-IBGZPJMESA-N	1	0	396.531	3.860	40	70		GHIBRO
CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(OC2CC[NH+](C)CC2)cc1	ZINC000217027737	570311778	/nfs/dbraw/zinc/31/17/78/570311778.db2.gz	BARWJNGBHKFJHZ-QFIPXVFZSA-N	1	0	398.503	3.964	40	70		GHIBRO
CCCOc1ccc(C(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)cc1	ZINC000217013130	570311196	/nfs/dbraw/zinc/31/11/96/570311196.db2.gz	BLHLDMMGKLKSGN-UHFFFAOYSA-N	1	0	382.504	3.878	40	70		GHIBRO
Cc1cccc(O[C@@H](C)C(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)c1C	ZINC000217025364	570311392	/nfs/dbraw/zinc/31/13/92/570311392.db2.gz	PMXDCDJPOUOXEJ-IBGZPJMESA-N	1	0	396.531	3.860	40	70		GHIBRO
C[NH+]1CCC(CCNC(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)CC1	ZINC000217030522	570311865	/nfs/dbraw/zinc/31/18/65/570311865.db2.gz	ZAKYKKDFIGHUKU-UHFFFAOYSA-N	1	0	395.950	3.539	40	70		GHIBRO
O=C(Cc1ccc2c(c1)CCO2)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@@H]34)[C@H]21	ZINC000218002652	570323785	/nfs/dbraw/zinc/32/37/85/570323785.db2.gz	UVJUJZYEQVRBKF-MTQWNXOMSA-N	1	0	392.543	3.586	40	70		GHIBRO
CC(C)c1ccc(OCC(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)cc1	ZINC000217012063	570311148	/nfs/dbraw/zinc/31/11/48/570311148.db2.gz	CHDWCGMQGPRGLH-UHFFFAOYSA-N	1	0	396.531	3.978	40	70		GHIBRO
CC(C)c1ccc(OCC(=O)NCCC2CC[NH+](C)CC2)c(Br)c1	ZINC000217009973	211747307	/nfs/dbraw/zinc/74/73/07/211747307.db2.gz	ZEPODIPFJWXINI-UHFFFAOYSA-N	1	0	397.357	3.799	40	70		GHIBRO
COc1ccc(O[C@H](C)C(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)cc1	ZINC000216947207	211747176	/nfs/dbraw/zinc/74/71/76/211747176.db2.gz	XTNFAEPAALGDCT-MRXNPFEDSA-N	1	0	384.476	3.574	40	70		GHIBRO
C[NH+]1CCC(Oc2ccc(NS(=O)(=O)Cc3cccc(Cl)c3)cc2)CC1	ZINC000216948151	570310224	/nfs/dbraw/zinc/31/02/24/570310224.db2.gz	QFCGQSSJDKWUTC-UHFFFAOYSA-N	1	0	394.924	3.755	40	70		GHIBRO
C[NH+]1CCC(Oc2ccc(NS(=O)(=O)Cc3ccccc3Cl)cc2)CC1	ZINC000216948006	570310265	/nfs/dbraw/zinc/31/02/65/570310265.db2.gz	KJJSQCDUCMKBMA-UHFFFAOYSA-N	1	0	394.924	3.755	40	70		GHIBRO
Cc1cc(C)cc(CSCC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)c1	ZINC000216928715	136203207	/nfs/dbraw/zinc/20/32/07/136203207.db2.gz	CITGUIVGKFBMLZ-UHFFFAOYSA-N	1	0	383.561	3.927	40	70		GHIBRO
Cc1cccc(O[C@@H](C)C(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)c1	ZINC000216946047	570309981	/nfs/dbraw/zinc/30/99/81/570309981.db2.gz	LKWVIBHIQKOXHX-SFHVURJKSA-N	1	0	382.504	3.552	40	70		GHIBRO
C[NH+]1CCC(CCNC(=O)CSCc2ccc(Br)cc2)CC1	ZINC000216931603	570309625	/nfs/dbraw/zinc/30/96/25/570309625.db2.gz	GSFPTQGJFCSEQM-UHFFFAOYSA-N	1	0	385.371	3.530	40	70		GHIBRO
CCc1ccc(CCC(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)cc1	ZINC000217031411	570311918	/nfs/dbraw/zinc/31/19/18/570311918.db2.gz	DNCKXLTYJYXWMH-UHFFFAOYSA-N	1	0	380.532	3.971	40	70		GHIBRO
CCc1ccccc1O[C@@H](C)C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1	ZINC000217023735	570311630	/nfs/dbraw/zinc/31/16/30/570311630.db2.gz	CMEUVLLFWDCGPB-SFHVURJKSA-N	1	0	396.531	3.806	40	70		GHIBRO
Cc1cc(C)cc(O[C@H](C)C(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)c1	ZINC000217033607	570312453	/nfs/dbraw/zinc/31/24/53/570312453.db2.gz	VJYYETZFIAUDBT-LJQANCHMSA-N	1	0	396.531	3.860	40	70		GHIBRO
Cc1cc(C)c(C)c(OCC(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)c1	ZINC000217012378	570311217	/nfs/dbraw/zinc/31/12/17/570311217.db2.gz	JQSKDUZWKLDCOX-UHFFFAOYSA-N	1	0	396.531	3.780	40	70		GHIBRO
COc1ccccc1O[C@H](C)C(=O)Nc1ccc(OC2CC[NH+](C)CC2)cc1	ZINC000217032070	570311822	/nfs/dbraw/zinc/31/18/22/570311822.db2.gz	NGYADSKMSCPHKZ-MRXNPFEDSA-N	1	0	384.476	3.574	40	70		GHIBRO
COc1ccc(SCC(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)cc1	ZINC000217017448	570311449	/nfs/dbraw/zinc/31/14/49/570311449.db2.gz	ADHWJOTUTJNTJK-UHFFFAOYSA-N	1	0	386.517	3.899	40	70		GHIBRO
CC[C@H](Oc1ccccc1OC)C(=O)Nc1ccc(OC2CC[NH+](C)CC2)cc1	ZINC000217033980	570312306	/nfs/dbraw/zinc/31/23/06/570312306.db2.gz	QRUDEJFDKPMGQY-FQEVSTJZSA-N	1	0	398.503	3.964	40	70		GHIBRO
O=C(c1cc(-c2ccco2)n[nH]1)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@@H]34)[C@H]21	ZINC000218045153	570324479	/nfs/dbraw/zinc/32/44/79/570324479.db2.gz	ZJMFCZQVQSFMSJ-AXRVMRSRSA-N	1	0	392.503	3.705	40	70		GHIBRO
Cc1ccc(SCC(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)cc1	ZINC000216927822	570309442	/nfs/dbraw/zinc/30/94/42/570309442.db2.gz	JCZGANHTGGVBFP-UHFFFAOYSA-N	1	0	384.545	3.877	40	70		GHIBRO
CCc1ccccc1O[C@H](C)C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1	ZINC000217023772	570311516	/nfs/dbraw/zinc/31/15/16/570311516.db2.gz	CMEUVLLFWDCGPB-GOSISDBHSA-N	1	0	396.531	3.806	40	70		GHIBRO
C[NH+]1CCC(Oc2ccc(NS(=O)(=O)Cc3ccc(Cl)cc3)cc2)CC1	ZINC000216948286	570310271	/nfs/dbraw/zinc/31/02/71/570310271.db2.gz	PEIPRQCQAVILCN-UHFFFAOYSA-N	1	0	394.924	3.755	40	70		GHIBRO
CC[C@@H](Oc1ccccc1OC)C(=O)Nc1ccc(OC2CC[NH+](C)CC2)cc1	ZINC000217033945	570312370	/nfs/dbraw/zinc/31/23/70/570312370.db2.gz	QRUDEJFDKPMGQY-HXUWFJFHSA-N	1	0	398.503	3.964	40	70		GHIBRO
Cc1cccc(O[C@H](C)C(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)c1C	ZINC000217025406	570311645	/nfs/dbraw/zinc/31/16/45/570311645.db2.gz	PMXDCDJPOUOXEJ-LJQANCHMSA-N	1	0	396.531	3.860	40	70		GHIBRO
C[NH+]1CCC(Oc2ccc(CNC(=O)CCCOc3ccccc3)cc2)CC1	ZINC000216946566	570310256	/nfs/dbraw/zinc/31/02/56/570310256.db2.gz	AZVCLAKEKWEYKM-UHFFFAOYSA-N	1	0	382.504	3.635	40	70		GHIBRO
Cc1ccccc1O[C@@H](C)C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1	ZINC000217023011	570311608	/nfs/dbraw/zinc/31/16/08/570311608.db2.gz	HTHKYXVCUQZHBG-SFHVURJKSA-N	1	0	382.504	3.552	40	70		GHIBRO