smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCc1cccc(CC)c1NC(=O)c1cc(S(=O)(=O)N2CC[NH+](C)CC2)ccc1C	ZINC000216862610	557158877	/nfs/dbraw/zinc/15/88/77/557158877.db2.gz	BSURFYDUXHAZHP-UHFFFAOYSA-N	1	2	429.586	3.308	40	70		IGIBLO
CSc1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CC[NH+](C)CC3)c2)c1	ZINC000216870490	557160039	/nfs/dbraw/zinc/16/00/39/557160039.db2.gz	VNXDSANVALUETF-UHFFFAOYSA-N	1	2	439.990	3.250	40	70		IGIBLO
CC[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1)c1ccc(C)cc1C	ZINC000216868690	557160110	/nfs/dbraw/zinc/16/01/10/557160110.db2.gz	PFLXAUOQMOZUKJ-JOCHJYFZSA-N	1	2	429.586	3.121	40	70		IGIBLO
CC[C@H](NC(=O)c1cc(S(=O)(=O)N2CC[NH+](C)CC2)ccc1Cl)c1ccccc1	ZINC000216880743	557161360	/nfs/dbraw/zinc/16/13/60/557161360.db2.gz	SQQSBJFABYNISD-FQEVSTJZSA-N	1	2	435.977	3.157	40	70		IGIBLO
Cc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1S(=O)(=O)N1CC[NH+](C)CC1	ZINC000216854900	557157728	/nfs/dbraw/zinc/15/77/28/557157728.db2.gz	IYSPQZRGIXNSSD-UHFFFAOYSA-N	1	2	442.368	3.490	40	70		IGIBLO
C[NH+]1CCN(S(=O)(=O)c2cc(C(=O)Nc3ccccc3Cl)ccc2Cl)CC1	ZINC000216869381	557160068	/nfs/dbraw/zinc/16/00/68/557160068.db2.gz	GODMCWAWTXFWPP-UHFFFAOYSA-N	1	2	428.341	3.182	40	70		IGIBLO
Cc1cc(Cl)ccc1NC(=O)c1cc(S(=O)(=O)N2CC[NH+](C)CC2)ccc1Cl	ZINC000216876607	557160724	/nfs/dbraw/zinc/16/07/24/557160724.db2.gz	GHPDQZYLQPSZEN-UHFFFAOYSA-N	1	2	442.368	3.490	40	70		IGIBLO
CC[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)N2CC[NH+](C)CC2)c1)c1ccc(C)cc1	ZINC000216859581	557158094	/nfs/dbraw/zinc/15/80/94/557158094.db2.gz	QTFJXZBVZSSUTJ-NRFANRHFSA-N	1	2	429.586	3.121	40	70		IGIBLO
Cc1ccc(C)c([C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)N3CC[NH+](C)CC3)c2)c1	ZINC000216858022	557158211	/nfs/dbraw/zinc/15/82/11/557158211.db2.gz	BBZXQGYIIHOXEZ-LJQANCHMSA-N	1	2	429.586	3.039	40	70		IGIBLO
CC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CC[NH+](C)CC2)ccc1C)c1ccc(C)c(C)c1	ZINC000216866121	557159289	/nfs/dbraw/zinc/15/92/89/557159289.db2.gz	CSNUIKSLFIRVRC-HSZRJFAPSA-N	1	2	443.613	3.429	40	70		IGIBLO
C[NH+]1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccc(F)c(Cl)c3)c2)CC1	ZINC000216877370	557160775	/nfs/dbraw/zinc/16/07/75/557160775.db2.gz	MPRUAPMPASFKKU-UHFFFAOYSA-N	1	2	446.331	3.321	40	70		IGIBLO
COc1ccc(C(C)C)cc1S(=O)(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1	ZINC000216795845	557155629	/nfs/dbraw/zinc/15/56/29/557155629.db2.gz	OGJXRVQIYQWZAO-UHFFFAOYSA-N	1	2	431.558	3.007	40	70		IGIBLO
CC[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)N2CC[NH+](C)CC2)c1)c1ccc(C)cc1	ZINC000216859558	557158166	/nfs/dbraw/zinc/15/81/66/557158166.db2.gz	QTFJXZBVZSSUTJ-OAQYLSRUSA-N	1	2	429.586	3.121	40	70		IGIBLO
Cc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1C(=O)Nc1ccc(C(F)(F)F)cc1	ZINC000216863322	557158957	/nfs/dbraw/zinc/15/89/57/557158957.db2.gz	DPIZYGBAMMCQTD-UHFFFAOYSA-N	1	2	441.475	3.202	40	70		IGIBLO
C[NH+]1CCN(S(=O)(=O)c2cc(C(=O)NC3CCCCCCC3)ccc2Cl)CC1	ZINC000216871469	557160454	/nfs/dbraw/zinc/16/04/54/557160454.db2.gz	JFXSCHODLMQRTR-UHFFFAOYSA-N	1	2	427.998	3.119	40	70		IGIBLO
Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CC[NH+](C)CC3)ccc2Cl)cc1Cl	ZINC000216876790	557160889	/nfs/dbraw/zinc/16/08/89/557160889.db2.gz	XEDYIHNWUPHKOK-UHFFFAOYSA-N	1	2	442.368	3.490	40	70		IGIBLO
C[NH+]1CCN(S(=O)(=O)Cc2ccc(C(=O)Nc3cc(Cl)cc(Cl)c3)cc2)CC1	ZINC000216882605	557161183	/nfs/dbraw/zinc/16/11/83/557161183.db2.gz	DCXNYYKUXXMDBA-UHFFFAOYSA-N	1	2	442.368	3.323	40	70		IGIBLO
CC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CC[NH+](C)CC2)ccc1Cl)c1ccccc1	ZINC000216880701	557161209	/nfs/dbraw/zinc/16/12/09/557161209.db2.gz	SQQSBJFABYNISD-HXUWFJFHSA-N	1	2	435.977	3.157	40	70		IGIBLO
Cc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1S(=O)(=O)N1CC[NH+](C)CC1	ZINC000216857227	557157786	/nfs/dbraw/zinc/15/77/86/557157786.db2.gz	GYQDNSAXXQDAOZ-UHFFFAOYSA-N	1	2	441.475	3.202	40	70		IGIBLO
CC[C@H](NC(=O)c1cc(S(=O)(=O)N2CC[NH+](C)CC2)ccc1C)c1ccc(C)cc1C	ZINC000216866219	557159382	/nfs/dbraw/zinc/15/93/82/557159382.db2.gz	UNAQBWNXCYUKGL-QHCPKHFHSA-N	1	2	443.613	3.429	40	70		IGIBLO
CC[C@H](NC(=O)c1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1)c1ccc(C)c(C)c1	ZINC000216868652	557159952	/nfs/dbraw/zinc/15/99/52/557159952.db2.gz	JILVVSKAAZMACV-QFIPXVFZSA-N	1	2	429.586	3.121	40	70		IGIBLO
C[NH+]1CCN(S(=O)(=O)c2cc(C(=O)Nc3ccc(F)c(Cl)c3)ccc2Cl)CC1	ZINC000216870530	557160160	/nfs/dbraw/zinc/16/01/60/557160160.db2.gz	JFQDMHTYNDVCGN-UHFFFAOYSA-N	1	2	446.331	3.321	40	70		IGIBLO
CC[C@@H](NC(=O)c1ccc(CS(=O)(=O)N2CC[NH+](C)CC2)cc1)c1ccc(C)c(C)c1	ZINC000216890015	557162442	/nfs/dbraw/zinc/16/24/42/557162442.db2.gz	SLCZYPRKHJOHND-HSZRJFAPSA-N	1	2	443.613	3.262	40	70		IGIBLO
C[C@H](NC(=O)c1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1)c1ccc(C(C)(C)C)cc1	ZINC000216867073	557159713	/nfs/dbraw/zinc/15/97/13/557159713.db2.gz	DJTFAJGEXYPROF-SFHVURJKSA-N	1	2	443.613	3.411	40	70		IGIBLO
Cc1c(Cl)cccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CC[NH+](C)CC2)c1	ZINC000216870200	557160118	/nfs/dbraw/zinc/16/01/18/557160118.db2.gz	GTMLUYGISAPVJJ-UHFFFAOYSA-N	1	2	442.368	3.490	40	70		IGIBLO
Cc1c(Cl)cccc1NC(=O)c1cc(S(=O)(=O)N2CC[NH+](C)CC2)ccc1Cl	ZINC000216876733	557160827	/nfs/dbraw/zinc/16/08/27/557160827.db2.gz	QQXPDYIWLCBLJG-UHFFFAOYSA-N	1	2	442.368	3.490	40	70		IGIBLO
O=c1cccc2n1C[C@H]1C[C@@H]2C[N@@H+](Cc2nc(=O)c3cc(-c4ccccc4)sc3[nH]2)C1	ZINC000217562324	557171275	/nfs/dbraw/zinc/17/12/75/557171275.db2.gz	OEAJDEQUUFMIJT-DOTOQJQBSA-N	1	2	430.533	3.433	40	70		IGIBLO
O=c1cccc2n1C[C@H]1C[C@@H]2C[N@H+](Cc2nc(=O)c3cc(-c4ccccc4)sc3[nH]2)C1	ZINC000217562324	557171277	/nfs/dbraw/zinc/17/12/77/557171277.db2.gz	OEAJDEQUUFMIJT-DOTOQJQBSA-N	1	2	430.533	3.433	40	70		IGIBLO
CCCCc1ccc(NC(=O)c2ccc(OC)c(S(=O)(=O)N3CC[NH+](C)CC3)c2)cc1	ZINC000216786129	557153973	/nfs/dbraw/zinc/15/39/73/557153973.db2.gz	XYFXRPODIFNURV-UHFFFAOYSA-N	1	2	445.585	3.226	40	70		IGIBLO
CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(C(C)C)cc2)ccc1N1CC[NH+](C)CC1	ZINC000216793550	557154953	/nfs/dbraw/zinc/15/49/53/557154953.db2.gz	CEVDZDGDWSYVMK-UHFFFAOYSA-N	1	2	444.601	3.112	40	70		IGIBLO
Cc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1C(=O)Nc1cc(Cl)cc(Cl)c1	ZINC000216861370	557158600	/nfs/dbraw/zinc/15/86/00/557158600.db2.gz	HUUUZUDGQXTJLO-UHFFFAOYSA-N	1	2	442.368	3.490	40	70		IGIBLO
CCc1cccc(CC)c1NC(=O)c1ccc(C)c(S(=O)(=O)N2CC[NH+](C)CC2)c1	ZINC000216856519	557157825	/nfs/dbraw/zinc/15/78/25/557157825.db2.gz	OEFRKFGQPJGYDH-UHFFFAOYSA-N	1	2	429.586	3.308	40	70		IGIBLO
Cc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1C(=O)Nc1cc(Cl)ccc1Cl	ZINC000216861497	557158593	/nfs/dbraw/zinc/15/85/93/557158593.db2.gz	OAAMGNAQUBNVIC-UHFFFAOYSA-N	1	2	442.368	3.490	40	70		IGIBLO
C[C@@H](CC(C)(C)c1ccccc1)NC(=O)c1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1	ZINC000216868490	557160025	/nfs/dbraw/zinc/16/00/25/557160025.db2.gz	IEUCVIXWUYKNCH-IBGZPJMESA-N	1	2	443.613	3.109	40	70		IGIBLO
C[NH+]1CCN(S(=O)(=O)c2cc(C(=O)Nc3cccc(Cl)c3)ccc2Cl)CC1	ZINC000216869420	557160137	/nfs/dbraw/zinc/16/01/37/557160137.db2.gz	KJYKCSDCQIVZGS-UHFFFAOYSA-N	1	2	428.341	3.182	40	70		IGIBLO
CC[C@H](NC(=O)c1ccc(CS(=O)(=O)N2CC[NH+](C)CC2)cc1)c1ccc(C)cc1C	ZINC000216890150	557162536	/nfs/dbraw/zinc/16/25/36/557162536.db2.gz	VTQJCRVNEHQQEF-QHCPKHFHSA-N	1	2	443.613	3.262	40	70		IGIBLO
Cc1ccc([C@H](C)NC(=O)c2cc(S(=O)(=O)N3CC[NH+](C)CC3)ccc2C)cc1C	ZINC000216866079	557159330	/nfs/dbraw/zinc/15/93/30/557159330.db2.gz	OYTGHRYJUJTXJW-IBGZPJMESA-N	1	2	429.586	3.039	40	70		IGIBLO
Cc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1C(=O)N[C@H](CC(C)C)c1ccccc1	ZINC000216865536	557159361	/nfs/dbraw/zinc/15/93/61/557159361.db2.gz	IUHZRZCHENYKGS-HSZRJFAPSA-N	1	2	443.613	3.448	40	70		IGIBLO
Cc1ccc([C@@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CC[NH+](C)CC3)c2)cc1	ZINC000216872570	557160489	/nfs/dbraw/zinc/16/04/89/557160489.db2.gz	YBYWVRACBMHPBF-MRXNPFEDSA-N	1	2	435.977	3.076	40	70		IGIBLO
Cc1cc(C)c(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CC[NH+](C)CC3)c2)c(C)c1	ZINC000216870679	557160593	/nfs/dbraw/zinc/16/05/93/557160593.db2.gz	CHQYQLDFOLDPML-UHFFFAOYSA-N	1	2	435.977	3.454	40	70		IGIBLO
C[NH+]1CCN(S(=O)(=O)Cc2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2)CC1	ZINC000216882426	557161305	/nfs/dbraw/zinc/16/13/05/557161305.db2.gz	CHQMYKAASKHQOK-UHFFFAOYSA-N	1	2	441.475	3.035	40	70		IGIBLO
CC[C@@H](NC(=O)c1ccc(CS(=O)(=O)N2CC[NH+](C)CC2)cc1)c1ccc(C)cc1C	ZINC000216890106	557162506	/nfs/dbraw/zinc/16/25/06/557162506.db2.gz	VTQJCRVNEHQQEF-HSZRJFAPSA-N	1	2	443.613	3.262	40	70		IGIBLO
CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)c1ccc(C[NH+]2CCOCC2)cc1	ZINC000218077450	557176322	/nfs/dbraw/zinc/17/63/22/557176322.db2.gz	JARNTKXAFARETA-UHFFFAOYSA-N	1	2	426.904	3.494	40	70		IGIBLO
Cc1ccc([C@@H](c2sc3nc(C)nn3c2O)[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)o1	ZINC000218094032	557177250	/nfs/dbraw/zinc/17/72/50/557177250.db2.gz	MRFLHXDCJBJUFU-KHYOSLBOSA-N	1	2	437.525	3.077	40	70		IGIBLO
Cc1ccc([C@@H](c2sc3nc(C)nn3c2O)[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)o1	ZINC000218094032	557177253	/nfs/dbraw/zinc/17/72/53/557177253.db2.gz	MRFLHXDCJBJUFU-KHYOSLBOSA-N	1	2	437.525	3.077	40	70		IGIBLO
Cc1ccc([C@@H](C)NC(=O)c2cc(S(=O)(=O)N3CC[NH+](C)CC3)ccc2C)cc1C	ZINC000216866052	557159214	/nfs/dbraw/zinc/15/92/14/557159214.db2.gz	OYTGHRYJUJTXJW-LJQANCHMSA-N	1	2	429.586	3.039	40	70		IGIBLO
C[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1)c1ccc(C(C)(C)C)cc1	ZINC000216867049	557159786	/nfs/dbraw/zinc/15/97/86/557159786.db2.gz	DJTFAJGEXYPROF-GOSISDBHSA-N	1	2	443.613	3.411	40	70		IGIBLO
CC(C)C[C@H](NC(=O)c1ccc(CS(=O)(=O)N2CC[NH+](C)CC2)cc1)c1ccccc1	ZINC000216889076	557161917	/nfs/dbraw/zinc/16/19/17/557161917.db2.gz	PNNTYOLGZRTNDT-QHCPKHFHSA-N	1	2	443.613	3.281	40	70		IGIBLO
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1S(=O)(=O)N1CC[NH+](C)CC1	ZINC000216854624	557157425	/nfs/dbraw/zinc/15/74/25/557157425.db2.gz	DKMKCVZYTNCYSZ-UHFFFAOYSA-N	1	2	441.475	3.202	40	70		IGIBLO
Cc1ccc(C)c([C@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)N3CC[NH+](C)CC3)c2)c1	ZINC000216858051	557158110	/nfs/dbraw/zinc/15/81/10/557158110.db2.gz	BBZXQGYIIHOXEZ-IBGZPJMESA-N	1	2	429.586	3.039	40	70		IGIBLO
Cc1ccc([C@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)N3CC[NH+](C)CC3)c2)cc1C	ZINC000216860161	557158587	/nfs/dbraw/zinc/15/85/87/557158587.db2.gz	QDHUCNPTVNFBFI-IBGZPJMESA-N	1	2	429.586	3.039	40	70		IGIBLO
Cc1ccc(C(=O)N[C@@H](CC(C)C)c2ccccc2)cc1S(=O)(=O)N1CC[NH+](C)CC1	ZINC000216859676	557158226	/nfs/dbraw/zinc/15/82/26/557158226.db2.gz	MTYBYVCIFBMKBU-QFIPXVFZSA-N	1	2	443.613	3.448	40	70		IGIBLO
Cc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1C(=O)Nc1ccccc1C(F)(F)F	ZINC000216862147	557158553	/nfs/dbraw/zinc/15/85/53/557158553.db2.gz	WOOZEYQOEQVJOR-UHFFFAOYSA-N	1	2	441.475	3.202	40	70		IGIBLO
Cc1ccc(C)c([C@@H](C)NC(=O)c2cc(S(=O)(=O)N3CC[NH+](C)CC3)ccc2C)c1	ZINC000216864120	557158806	/nfs/dbraw/zinc/15/88/06/557158806.db2.gz	UUJIVCUHNSYOOA-LJQANCHMSA-N	1	2	429.586	3.039	40	70		IGIBLO
C[NH+]1CCN(S(=O)(=O)c2cc(C(=O)Nc3ccc(Cl)cc3)ccc2Cl)CC1	ZINC000216869448	557159947	/nfs/dbraw/zinc/15/99/47/557159947.db2.gz	KVWPQIYSDHJEGM-UHFFFAOYSA-N	1	2	428.341	3.182	40	70		IGIBLO
Cc1ccc([C@H](C)NC(=O)c2cc(S(=O)(=O)N3CC[NH+](C)CC3)ccc2Cl)cc1	ZINC000216880431	557161199	/nfs/dbraw/zinc/16/11/99/557161199.db2.gz	LFXLITZCPUZMRK-INIZCTEOSA-N	1	2	435.977	3.076	40	70		IGIBLO
CCSc1ccccc1NC(=O)c1ccc(CS(=O)(=O)N2CC[NH+](C)CC2)cc1	ZINC000216889133	557162025	/nfs/dbraw/zinc/16/20/25/557162025.db2.gz	PYJDWLJOKWNXOV-UHFFFAOYSA-N	1	2	433.599	3.128	40	70		IGIBLO
COc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@H]3CCC[N@@H+]3[C@H](C(=O)c3ccc(F)cc3)[C@H]2C1=O	ZINC000217601607	557171830	/nfs/dbraw/zinc/17/18/30/557171830.db2.gz	HTVROKSUZNDXQZ-XCLNPWKQSA-N	1	2	442.874	3.323	40	70		IGIBLO
COc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@H]3CCC[N@H+]3[C@H](C(=O)c3ccc(F)cc3)[C@H]2C1=O	ZINC000217601607	557171834	/nfs/dbraw/zinc/17/18/34/557171834.db2.gz	HTVROKSUZNDXQZ-XCLNPWKQSA-N	1	2	442.874	3.323	40	70		IGIBLO
COc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1C(=O)Nc1cccc2ccccc21	ZINC000216787272	557153867	/nfs/dbraw/zinc/15/38/67/557153867.db2.gz	QKHOYJFXQCGNBE-UHFFFAOYSA-N	1	2	439.537	3.037	40	70		IGIBLO
Cc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1S(=O)(=O)N1CC[NH+](C)CC1	ZINC000216857367	557157684	/nfs/dbraw/zinc/15/76/84/557157684.db2.gz	SGJFJNJRPJGGMJ-UHFFFAOYSA-N	1	2	442.368	3.490	40	70		IGIBLO
Cc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1S(=O)(=O)N1CC[NH+](C)CC1	ZINC000216854726	557157774	/nfs/dbraw/zinc/15/77/74/557157774.db2.gz	QCPVUXRQHUQANH-UHFFFAOYSA-N	1	2	442.368	3.490	40	70		IGIBLO
CC[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)N2CC[NH+](C)CC2)c1)c1ccc(C)c(C)c1	ZINC000216860196	557158634	/nfs/dbraw/zinc/15/86/34/557158634.db2.gz	UDSRATQDSGFPMO-JOCHJYFZSA-N	1	2	443.613	3.429	40	70		IGIBLO
CC[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CC[NH+](C)CC2)c1)c1ccccc1	ZINC000216872877	557160405	/nfs/dbraw/zinc/16/04/05/557160405.db2.gz	TUSABEAZXQENPH-LJQANCHMSA-N	1	2	435.977	3.157	40	70		IGIBLO
CSc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CC[NH+](C)CC2)ccc1Cl	ZINC000216878520	557160759	/nfs/dbraw/zinc/16/07/59/557160759.db2.gz	YALBVGRELUTPDR-UHFFFAOYSA-N	1	2	439.990	3.250	40	70		IGIBLO
C[NH+]1CCN(S(=O)(=O)Cc2ccc(C(=O)Nc3cc(Cl)ccc3Cl)cc2)CC1	ZINC000216882913	557161223	/nfs/dbraw/zinc/16/12/23/557161223.db2.gz	FOVSLAHOGHTWCI-UHFFFAOYSA-N	1	2	442.368	3.323	40	70		IGIBLO
Cc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1S(=O)(=O)N1CC[NH+](C)CC1	ZINC000216855850	557157740	/nfs/dbraw/zinc/15/77/40/557157740.db2.gz	HJKUJPNARQDPGM-UHFFFAOYSA-N	1	2	441.475	3.202	40	70		IGIBLO
Cc1ccc(C(=O)N[C@H](CC(C)C)c2ccccc2)cc1S(=O)(=O)N1CC[NH+](C)CC1	ZINC000216859700	557158106	/nfs/dbraw/zinc/15/81/06/557158106.db2.gz	MTYBYVCIFBMKBU-JOCHJYFZSA-N	1	2	443.613	3.448	40	70		IGIBLO
CC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CC[NH+](C)CC2)ccc1C)c1ccc(C)cc1C	ZINC000216866191	557159245	/nfs/dbraw/zinc/15/92/45/557159245.db2.gz	UNAQBWNXCYUKGL-HSZRJFAPSA-N	1	2	443.613	3.429	40	70		IGIBLO
Cc1cccc(C(C)C)c1NC(=O)c1ccc(CS(=O)(=O)N2CC[NH+](C)CC2)cc1	ZINC000216885527	557161680	/nfs/dbraw/zinc/16/16/80/557161680.db2.gz	SUCZEBBVCRJFTG-UHFFFAOYSA-N	1	2	429.586	3.448	40	70		IGIBLO
Cc1ccc([C@H](c2sc3nc(C)nn3c2O)[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)o1	ZINC000218094116	557177146	/nfs/dbraw/zinc/17/71/46/557177146.db2.gz	MRFLHXDCJBJUFU-QMTMVMCOSA-N	1	2	437.525	3.077	40	70		IGIBLO
Cc1ccc([C@H](c2sc3nc(C)nn3c2O)[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)o1	ZINC000218094116	557177150	/nfs/dbraw/zinc/17/71/50/557177150.db2.gz	MRFLHXDCJBJUFU-QMTMVMCOSA-N	1	2	437.525	3.077	40	70		IGIBLO
Cc1ccc([C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)N3CC[NH+](C)CC3)c2)c(C)c1	ZINC000216859429	557158102	/nfs/dbraw/zinc/15/81/02/557158102.db2.gz	NMOOJFJZIQQOSV-LJQANCHMSA-N	1	2	429.586	3.039	40	70		IGIBLO
Cc1ccc([C@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)N3CC[NH+](C)CC3)c2)c(C)c1	ZINC000216859456	557158186	/nfs/dbraw/zinc/15/81/86/557158186.db2.gz	NMOOJFJZIQQOSV-IBGZPJMESA-N	1	2	429.586	3.039	40	70		IGIBLO
Cc1ccc([C@@H](C)NC(=O)c2cc(S(=O)(=O)N3CC[NH+](C)CC3)ccc2Cl)cc1	ZINC000216880386	557161297	/nfs/dbraw/zinc/16/12/97/557161297.db2.gz	LFXLITZCPUZMRK-MRXNPFEDSA-N	1	2	435.977	3.076	40	70		IGIBLO
COc1ccc(C(=O)Nc2cccc3ccccc32)cc1S(=O)(=O)N1CC[NH+](C)CC1	ZINC000216784231	557153648	/nfs/dbraw/zinc/15/36/48/557153648.db2.gz	GYYCAQJEJBQJSP-UHFFFAOYSA-N	1	2	439.537	3.037	40	70		IGIBLO
Cc1cc(Cl)ccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CC[NH+](C)CC2)c1	ZINC000216870126	557160078	/nfs/dbraw/zinc/16/00/78/557160078.db2.gz	CJRVQQPHXKATDX-UHFFFAOYSA-N	1	2	442.368	3.490	40	70		IGIBLO
Cc1ccc([C@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CC[NH+](C)CC3)c2)cc1	ZINC000216872613	557160480	/nfs/dbraw/zinc/16/04/80/557160480.db2.gz	YBYWVRACBMHPBF-INIZCTEOSA-N	1	2	435.977	3.076	40	70		IGIBLO
CSc1cccc(NC(=O)c2cc(S(=O)(=O)N3CC[NH+](C)CC3)ccc2Cl)c1	ZINC000216877306	557160847	/nfs/dbraw/zinc/16/08/47/557160847.db2.gz	YJZDEDZCXSIUAJ-UHFFFAOYSA-N	1	2	439.990	3.250	40	70		IGIBLO
CC(C)C[C@@H](NC(=O)c1ccc(CS(=O)(=O)N2CC[NH+](C)CC2)cc1)c1ccccc1	ZINC000216889033	557162112	/nfs/dbraw/zinc/16/21/12/557162112.db2.gz	PNNTYOLGZRTNDT-HSZRJFAPSA-N	1	2	443.613	3.281	40	70		IGIBLO
CC[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CC[NH+](C)CC2)c1)c1ccccc1	ZINC000216872918	557160509	/nfs/dbraw/zinc/16/05/09/557160509.db2.gz	TUSABEAZXQENPH-IBGZPJMESA-N	1	2	435.977	3.157	40	70		IGIBLO
Cc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1S(=O)(=O)N1CC[NH+](C)CC1	ZINC000216857747	557157811	/nfs/dbraw/zinc/15/78/11/557157811.db2.gz	NNVSPKWVHXWZQF-UHFFFAOYSA-N	1	2	442.368	3.490	40	70		IGIBLO
Cc1ccc([C@@H](C)NC(=O)c2cc(S(=O)(=O)N3CC[NH+](C)CC3)ccc2C)c(C)c1	ZINC000216865315	557159334	/nfs/dbraw/zinc/15/93/34/557159334.db2.gz	SRQXIHLIZQCCHG-LJQANCHMSA-N	1	2	429.586	3.039	40	70		IGIBLO
C[NH+]1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)NC3CCCCCCC3)c2)CC1	ZINC000216878906	557160794	/nfs/dbraw/zinc/16/07/94/557160794.db2.gz	MZRGDRSLEVLOTR-UHFFFAOYSA-N	1	2	427.998	3.119	40	70		IGIBLO
Cc1cc(C)c(NC(=O)c2cc(S(=O)(=O)N3CC[NH+](C)CC3)ccc2Cl)c(C)c1	ZINC000216877633	557160820	/nfs/dbraw/zinc/16/08/20/557160820.db2.gz	FMHZHGBZKWACHG-UHFFFAOYSA-N	1	2	435.977	3.454	40	70		IGIBLO
C[NH+]1CCN(S(=O)(=O)Cc2ccc(C(=O)Nc3ccc(Cl)c(Cl)c3)cc2)CC1	ZINC000216885854	557161522	/nfs/dbraw/zinc/16/15/22/557161522.db2.gz	NGQNDRYPAFWHGE-UHFFFAOYSA-N	1	2	442.368	3.323	40	70		IGIBLO
COc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1C(=O)Nc1ccc(C(C)C)cc1	ZINC000216787209	557153902	/nfs/dbraw/zinc/15/39/02/557153902.db2.gz	RVAGSAYQNNXLKZ-UHFFFAOYSA-N	1	2	431.558	3.007	40	70		IGIBLO
C[NH+]1CCN(S(=O)(=O)Cc2ccc(C(=O)Nc3ccccc3C(F)(F)F)cc2)CC1	ZINC000216883980	557161654	/nfs/dbraw/zinc/16/16/54/557161654.db2.gz	VBPQISBFSSCDQF-UHFFFAOYSA-N	1	2	441.475	3.035	40	70		IGIBLO
CCc1cccc(CC)c1NC(=O)c1ccc(CS(=O)(=O)N2CC[NH+](C)CC2)cc1	ZINC000216884804	557161689	/nfs/dbraw/zinc/16/16/89/557161689.db2.gz	HDILOKHKTVPCQK-UHFFFAOYSA-N	1	2	429.586	3.141	40	70		IGIBLO
Cc1nc2n(n1)C(=O)C([C@@H](c1ccccc1)[N@H+]1C[C@H]3C[C@H](Cn4c(=O)cccc43)C1)S2	ZINC000217849092	557174315	/nfs/dbraw/zinc/17/43/15/557174315.db2.gz	JYNOHJXNZHZNPG-XAUMDUMWSA-N	1	2	433.537	3.175	40	70		IGIBLO
Cc1nc2n(n1)C(=O)C([C@@H](c1ccccc1)[N@@H+]1C[C@H]3C[C@H](Cn4c(=O)cccc43)C1)S2	ZINC000217849092	557174318	/nfs/dbraw/zinc/17/43/18/557174318.db2.gz	JYNOHJXNZHZNPG-XAUMDUMWSA-N	1	2	433.537	3.175	40	70		IGIBLO
CCSc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)N2CC[NH+](C)CC2)c1	ZINC000216859738	557158580	/nfs/dbraw/zinc/15/85/80/557158580.db2.gz	SQTZVHTXSCHOPM-UHFFFAOYSA-N	1	2	433.599	3.295	40	70		IGIBLO
Cc1ccc([C@H](C)NC(=O)c2cc(S(=O)(=O)N3CC[NH+](C)CC3)ccc2C)c(C)c1	ZINC000216865334	557159281	/nfs/dbraw/zinc/15/92/81/557159281.db2.gz	SRQXIHLIZQCCHG-IBGZPJMESA-N	1	2	429.586	3.039	40	70		IGIBLO
Cc1ccc(Cl)cc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CC[NH+](C)CC2)c1	ZINC000216870164	557160018	/nfs/dbraw/zinc/16/00/18/557160018.db2.gz	RDABSKKJQZPAHO-UHFFFAOYSA-N	1	2	442.368	3.490	40	70		IGIBLO
CC[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)N2CC[NH+](C)CC2)c1)c1ccc(C)c(C)c1	ZINC000216860221	557158573	/nfs/dbraw/zinc/15/85/73/557158573.db2.gz	UDSRATQDSGFPMO-QFIPXVFZSA-N	1	2	443.613	3.429	40	70		IGIBLO
Cc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1C(=O)Nc1ccc(Cl)c(Cl)c1	ZINC000216863462	557158965	/nfs/dbraw/zinc/15/89/65/557158965.db2.gz	KNSHHOWFQIUGAB-UHFFFAOYSA-N	1	2	442.368	3.490	40	70		IGIBLO
C[C@H](CC(C)(C)c1ccccc1)NC(=O)c1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1	ZINC000216868518	557160095	/nfs/dbraw/zinc/16/00/95/557160095.db2.gz	IEUCVIXWUYKNCH-LJQANCHMSA-N	1	2	443.613	3.109	40	70		IGIBLO
C[NH+]1CCN(S(=O)(=O)Cc2ccc(C(=O)Nc3ccc(C(F)(F)F)cc3)cc2)CC1	ZINC000216885631	557161672	/nfs/dbraw/zinc/16/16/72/557161672.db2.gz	MBUBKHAYOUTCOT-UHFFFAOYSA-N	1	2	441.475	3.035	40	70		IGIBLO
CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)c1ccc(C[NH+]2CCOCC2)cc1	ZINC000218077554	557176380	/nfs/dbraw/zinc/17/63/80/557176380.db2.gz	MDBYAYBWCUBMOE-UHFFFAOYSA-N	1	2	426.904	3.494	40	70		IGIBLO
Cc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1C(=O)Nc1ccc(Cl)cc1Cl	ZINC000216863900	557158817	/nfs/dbraw/zinc/15/88/17/557158817.db2.gz	SAPXEXLUGHEISN-UHFFFAOYSA-N	1	2	442.368	3.490	40	70		IGIBLO
Cc1ccc(C)c([C@H](C)NC(=O)c2cc(S(=O)(=O)N3CC[NH+](C)CC3)ccc2C)c1	ZINC000216864144	557158916	/nfs/dbraw/zinc/15/89/16/557158916.db2.gz	UUJIVCUHNSYOOA-IBGZPJMESA-N	1	2	429.586	3.039	40	70		IGIBLO
CC[C@H](NC(=O)c1cc(S(=O)(=O)N2CC[NH+](C)CC2)ccc1C)c1ccc(C)c(C)c1	ZINC000216866149	557159256	/nfs/dbraw/zinc/15/92/56/557159256.db2.gz	CSNUIKSLFIRVRC-QHCPKHFHSA-N	1	2	443.613	3.429	40	70		IGIBLO
CC[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1)c1ccc(C)c(C)c1	ZINC000216868621	557160102	/nfs/dbraw/zinc/16/01/02/557160102.db2.gz	JILVVSKAAZMACV-JOCHJYFZSA-N	1	2	429.586	3.121	40	70		IGIBLO
C[NH+]1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3cccc(Cl)c3)c2)CC1	ZINC000216875209	557160418	/nfs/dbraw/zinc/16/04/18/557160418.db2.gz	QBUBHJLHWWMPNY-UHFFFAOYSA-N	1	2	428.341	3.182	40	70		IGIBLO
CCc1cccc(C)c1NC(=O)c1cc(S(=O)(=O)N2CC[NH+](C)CC2)ccc1Cl	ZINC000216877866	557160852	/nfs/dbraw/zinc/16/08/52/557160852.db2.gz	DFCWFTOKDCVAEL-UHFFFAOYSA-N	1	2	435.977	3.399	40	70		IGIBLO
Cc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1C(=O)N[C@@H](CC(C)C)c1ccccc1	ZINC000216865507	557159302	/nfs/dbraw/zinc/15/93/02/557159302.db2.gz	IUHZRZCHENYKGS-QHCPKHFHSA-N	1	2	443.613	3.448	40	70		IGIBLO
COc1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1S(=O)(=O)N1CC[NH+](C)CC1	ZINC000216784151	557153636	/nfs/dbraw/zinc/15/36/36/557153636.db2.gz	MBXBUXNYMJJVAO-UHFFFAOYSA-N	1	2	431.558	3.007	40	70		IGIBLO
Cc1ccc([C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)N3CC[NH+](C)CC3)c2)cc1C	ZINC000216860138	557158640	/nfs/dbraw/zinc/15/86/40/557158640.db2.gz	QDHUCNPTVNFBFI-LJQANCHMSA-N	1	2	429.586	3.039	40	70		IGIBLO
CCCCc1ccc(NC(=O)c2cc(S(=O)(=O)N3CC[NH+](C)CC3)ccc2OC)cc1	ZINC000216788931	557154333	/nfs/dbraw/zinc/15/43/33/557154333.db2.gz	GDJPOWXTWICLRQ-UHFFFAOYSA-N	1	2	445.585	3.226	40	70		IGIBLO
CCSc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CC[NH+](C)CC2)ccc1C	ZINC000216865573	557159266	/nfs/dbraw/zinc/15/92/66/557159266.db2.gz	ZCWZVWHZTQKQTB-UHFFFAOYSA-N	1	2	433.599	3.295	40	70		IGIBLO
CC[C@H](NC(=O)c1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1)c1ccc(C)cc1C	ZINC000216868716	557160155	/nfs/dbraw/zinc/16/01/55/557160155.db2.gz	PFLXAUOQMOZUKJ-QFIPXVFZSA-N	1	2	429.586	3.121	40	70		IGIBLO
C[NH+]1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccccc3Cl)c2)CC1	ZINC000216875148	557160542	/nfs/dbraw/zinc/16/05/42/557160542.db2.gz	OXJRFIJZCBGOMF-UHFFFAOYSA-N	1	2	428.341	3.182	40	70		IGIBLO
C[NH+]1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccc(Cl)cc3)c2)CC1	ZINC000216875267	557160858	/nfs/dbraw/zinc/16/08/58/557160858.db2.gz	BIYMEBPWVKDQES-UHFFFAOYSA-N	1	2	428.341	3.182	40	70		IGIBLO
CC[C@H](NC(=O)c1ccc(CS(=O)(=O)N2CC[NH+](C)CC2)cc1)c1ccc(C)c(C)c1	ZINC000216890053	557162530	/nfs/dbraw/zinc/16/25/30/557162530.db2.gz	SLCZYPRKHJOHND-QHCPKHFHSA-N	1	2	443.613	3.262	40	70		IGIBLO
Cc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CC[NH+](C)CC3)c2)cc1Cl	ZINC000216870235	557160125	/nfs/dbraw/zinc/16/01/25/557160125.db2.gz	LNGPVIDZLHJWBH-UHFFFAOYSA-N	1	2	442.368	3.490	40	70		IGIBLO
CCc1cccc(C)c1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CC[NH+](C)CC2)c1	ZINC000216870819	557160471	/nfs/dbraw/zinc/16/04/71/557160471.db2.gz	QPFGKEWGBLOFLO-UHFFFAOYSA-N	1	2	435.977	3.399	40	70		IGIBLO
Cc1ccc(Cl)cc1NC(=O)c1cc(S(=O)(=O)N2CC[NH+](C)CC2)ccc1Cl	ZINC000216876668	557160840	/nfs/dbraw/zinc/16/08/40/557160840.db2.gz	LIIDGROHDWZCOB-UHFFFAOYSA-N	1	2	442.368	3.490	40	70		IGIBLO
CCCCc1ccc(NC(=O)c2ccc(CS(=O)(=O)N3CC[NH+](C)CC3)cc2)cc1	ZINC000216885745	557161555	/nfs/dbraw/zinc/16/15/55/557161555.db2.gz	HJBZOJHTDUWSGU-UHFFFAOYSA-N	1	2	429.586	3.359	40	70		IGIBLO
Cc1nc2n(n1)C(=O)C([C@H](c1ccccc1)[N@H+]1C[C@H]3C[C@H](Cn4c(=O)cccc43)C1)S2	ZINC000217848996	557174425	/nfs/dbraw/zinc/17/44/25/557174425.db2.gz	JYNOHJXNZHZNPG-VPWXQRGCSA-N	1	2	433.537	3.175	40	70		IGIBLO
Cc1nc2n(n1)C(=O)C([C@H](c1ccccc1)[N@@H+]1C[C@H]3C[C@H](Cn4c(=O)cccc43)C1)S2	ZINC000217848996	557174427	/nfs/dbraw/zinc/17/44/27/557174427.db2.gz	JYNOHJXNZHZNPG-VPWXQRGCSA-N	1	2	433.537	3.175	40	70		IGIBLO
CSc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CC[NH+](C)CC2)c1	ZINC000216871161	557160499	/nfs/dbraw/zinc/16/04/99/557160499.db2.gz	ZSHMBNQRFKQIMV-UHFFFAOYSA-N	1	2	439.990	3.250	40	70		IGIBLO
C[NH+]1CCN(S(=O)(=O)Cc2ccc(C(=O)Nc3ccc(Cl)cc3Cl)cc2)CC1	ZINC000216886526	557161640	/nfs/dbraw/zinc/16/16/40/557161640.db2.gz	PPCAFPLUBIKXKE-UHFFFAOYSA-N	1	2	442.368	3.323	40	70		IGIBLO