smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)C2=C(C)NCCSCc2[nH]c[nH+]c2C)cc1	ZINC000020288901	555759009	/nfs/dbraw/zinc/75/90/09/555759009.db2.gz	CKZFPTQRMHDOEB-QJOMJCCJSA-N	1	2	479.581	4.414	40	10		JICBLO
CCc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CC[NH+]3CCOCC3)c2C)cc1	ZINC000223139748	569900833	/nfs/dbraw/zinc/90/08/33/569900833.db2.gz	LLLGMJBRQXRZEF-SVBPBHIXSA-N	1	2	489.689	4.356	40	10		JICBLO
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1-c1ccc(Cl)cc1	ZINC000223141087	569900893	/nfs/dbraw/zinc/90/08/93/569900893.db2.gz	LHBYQJUBNWQFTM-JWQCQUIFSA-N	1	2	496.080	4.447	40	10		JICBLO
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1-c1cc(C)cc(C)c1	ZINC000223145874	569901081	/nfs/dbraw/zinc/90/10/81/569901081.db2.gz	YTVIOSULIPSXLF-RRPNLBNLSA-N	1	2	489.689	4.411	40	10		JICBLO
CCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccc(N(C)C)cc1	ZINC000261365068	570168972	/nfs/dbraw/zinc/16/89/72/570168972.db2.gz	PTDIBXHOFMVSMF-HSZRJFAPSA-O	1	2	450.588	4.008	40	10		JICBLO
CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3ccc([NH+](C)C)cc3)c2C)C1=O	ZINC000409241318	570182095	/nfs/dbraw/zinc/18/20/95/570182095.db2.gz	RCDIGAHJAMIXOY-PCLIKHOPSA-N	1	2	485.588	4.254	40	10		JICBLO
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1-c1cc(C)ccc1C	ZINC000223145448	569901102	/nfs/dbraw/zinc/90/11/02/569901102.db2.gz	DYNUPHZRUZYVHL-SVBPBHIXSA-N	1	2	489.689	4.411	40	10		JICBLO
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1ccc(C)cc1	ZINC000223182381	569902477	/nfs/dbraw/zinc/90/24/77/569902477.db2.gz	UQWDZNWHVUFFJA-SVBPBHIXSA-N	1	2	489.689	4.492	40	10		JICBLO
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1cccc(F)c1	ZINC000223183613	569902561	/nfs/dbraw/zinc/90/25/61/569902561.db2.gz	FESMLXRJDDUCOI-IZZNHLLZSA-N	1	2	493.652	4.323	40	10		JICBLO
CCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@@H]1c1ccc(N(CC)CC)cc1	ZINC000261366416	570169611	/nfs/dbraw/zinc/16/96/11/570169611.db2.gz	ZPAJNQJHDNHBNK-HSZRJFAPSA-O	1	2	450.588	4.008	40	10		JICBLO
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1-c1ccccc1C	ZINC000223138404	569900735	/nfs/dbraw/zinc/90/07/35/569900735.db2.gz	YIAVAOCTIRYCQA-FTJBHMTQSA-N	1	2	475.662	4.102	40	10		JICBLO
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1-c1cc(C)ccc1C	ZINC000223145276	569901087	/nfs/dbraw/zinc/90/10/87/569901087.db2.gz	DYNUPHZRUZYVHL-KAYWLYCHSA-N	1	2	489.689	4.411	40	10		JICBLO
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1ccc(C)cc1	ZINC000223182331	569902482	/nfs/dbraw/zinc/90/24/82/569902482.db2.gz	UQWDZNWHVUFFJA-RRPNLBNLSA-N	1	2	489.689	4.492	40	10		JICBLO
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1ccccc1F	ZINC000223183351	569902523	/nfs/dbraw/zinc/90/25/23/569902523.db2.gz	IDSJGMYRFICILE-IZZNHLLZSA-N	1	2	493.652	4.323	40	10		JICBLO
Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)c(C)n1-c1ccc([NH+](C)C)cc1	ZINC000408740432	570031904	/nfs/dbraw/zinc/03/19/04/570031904.db2.gz	KORGMDGPYSMRCW-HZHRSRAPSA-N	1	2	458.587	4.300	40	10		JICBLO
Cc1cc(C=C2C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1ccc([NH+](C)C)cc1	ZINC000408742016	570032466	/nfs/dbraw/zinc/03/24/66/570032466.db2.gz	UICODIOXUHTBIK-BUVRLJJBSA-N	1	2	456.546	4.443	40	10		JICBLO
C[NH+](C)c1ccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)cc1	ZINC000408953987	570084615	/nfs/dbraw/zinc/08/46/15/570084615.db2.gz	RGENVPGJHKLCLT-XSFVSMFZSA-N	1	2	495.402	4.137	40	10		JICBLO
Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1cc[nH+]cc1	ZINC000409096460	570126801	/nfs/dbraw/zinc/12/68/01/570126801.db2.gz	JTNOHRNVHJNICN-LFIBNONCSA-N	1	2	455.301	4.462	40	10		JICBLO
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1-c1ccc(C)cc1	ZINC000223139020	569900846	/nfs/dbraw/zinc/90/08/46/569900846.db2.gz	HZPYCKWSKHPCKV-UIOOFZCWSA-N	1	2	475.662	4.102	40	10		JICBLO
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1cccc(C)c1	ZINC000223182030	569902435	/nfs/dbraw/zinc/90/24/35/569902435.db2.gz	FZCYGAHSIHLHGU-SXOMAYOGSA-N	1	2	489.689	4.492	40	10		JICBLO
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1ccc(F)cc1	ZINC000223183809	569902547	/nfs/dbraw/zinc/90/25/47/569902547.db2.gz	DHDNPXROIGYAAV-FTJBHMTQSA-N	1	2	493.652	4.323	40	10		JICBLO
CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc([NH+](C)C)cc2)c1C	ZINC000223655580	569919179	/nfs/dbraw/zinc/91/91/79/569919179.db2.gz	DMUHMZUYIHAOJN-RPBOFIJWSA-N	1	2	477.634	4.091	40	10		JICBLO
COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc([NH+](C)C)cc2)c1C	ZINC000223691317	569920122	/nfs/dbraw/zinc/92/01/22/569920122.db2.gz	QATYSYPUPJKSRL-DQEYMECFSA-N	1	2	477.634	4.091	40	10		JICBLO
C[NH+](C)c1ccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)cc1	ZINC000408955421	570084847	/nfs/dbraw/zinc/08/48/47/570084847.db2.gz	XDPNPXYOXTUYJJ-XSFVSMFZSA-N	1	2	450.951	4.028	40	10		JICBLO
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1-c1ccccc1C	ZINC000223138464	569900759	/nfs/dbraw/zinc/90/07/59/569900759.db2.gz	YIAVAOCTIRYCQA-IZZNHLLZSA-N	1	2	475.662	4.102	40	10		JICBLO
CCc1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c1C	ZINC000223139396	569900855	/nfs/dbraw/zinc/90/08/55/569900855.db2.gz	FJOXYYCXWSXLHS-SXOMAYOGSA-N	1	2	489.689	4.356	40	10		JICBLO
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1-c1ccccc1Cl	ZINC000223140650	569900917	/nfs/dbraw/zinc/90/09/17/569900917.db2.gz	HCLXBZXTERJCQU-RPBOFIJWSA-N	1	2	496.080	4.447	40	10		JICBLO
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1ccccc1C	ZINC000223181781	569902414	/nfs/dbraw/zinc/90/24/14/569902414.db2.gz	CSLUCMSJMZXVPR-SXOMAYOGSA-N	1	2	489.689	4.492	40	10		JICBLO
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1ccccc1F	ZINC000223183402	569902533	/nfs/dbraw/zinc/90/25/33/569902533.db2.gz	IDSJGMYRFICILE-UIOOFZCWSA-N	1	2	493.652	4.323	40	10		JICBLO
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1-c1c(C)cccc1C	ZINC000223145511	569901091	/nfs/dbraw/zinc/90/10/91/569901091.db2.gz	PPDPGPUBQNPLTE-XNMGPUDCSA-N	1	2	489.689	4.411	40	10		JICBLO
COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc([NH+](C)C)cc2)c1C	ZINC000223725420	569921241	/nfs/dbraw/zinc/92/12/41/569921241.db2.gz	CITGSGFKXRYGSX-UIOOFZCWSA-N	1	2	491.661	4.481	40	10		JICBLO
COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc([NH+](C)C)cc2)c1C	ZINC000223725516	569921272	/nfs/dbraw/zinc/92/12/72/569921272.db2.gz	CITGSGFKXRYGSX-IZZNHLLZSA-N	1	2	491.661	4.481	40	10		JICBLO
CCc1ccc(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4ccc([NH+](C)C)cc4)c3C)C2=O)cc1	ZINC000408989227	570093356	/nfs/dbraw/zinc/09/33/56/570093356.db2.gz	SQDMSJBZNXRRMZ-JLPGSUDCSA-N	1	2	456.546	4.389	40	10		JICBLO
CC1=CC(C)(C)N(C)c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3CC[NH+]3CCOCC3)cc21	ZINC000260927656	570164890	/nfs/dbraw/zinc/16/48/90/570164890.db2.gz	ZKDVAKUHRZUAAX-DQEYMECFSA-N	1	2	477.678	4.018	40	10		JICBLO
COc1cccc(CN2CCC[N@@H+](Cc3cccc(OC)c3O)C2c2cccc(OC)c2O)c1O	ZINC000019325971	556341327	/nfs/dbraw/zinc/34/13/27/556341327.db2.gz	PLODNVKRHCDZOL-UHFFFAOYSA-N	1	2	480.561	4.236	40	10		JICBLO
COc1cccc(CN2CCC[N@H+](Cc3cccc(OC)c3O)C2c2cccc(OC)c2O)c1O	ZINC000019325971	556341332	/nfs/dbraw/zinc/34/13/32/556341332.db2.gz	PLODNVKRHCDZOL-UHFFFAOYSA-N	1	2	480.561	4.236	40	10		JICBLO
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1-c1ccccc1C	ZINC000223138518	569900778	/nfs/dbraw/zinc/90/07/78/569900778.db2.gz	YIAVAOCTIRYCQA-UIOOFZCWSA-N	1	2	475.662	4.102	40	10		JICBLO
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1-c1cccc(C)c1	ZINC000223138778	569900860	/nfs/dbraw/zinc/90/08/60/569900860.db2.gz	WNRKMVSQPTWOFX-UIOOFZCWSA-N	1	2	475.662	4.102	40	10		JICBLO
Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc([NH+](C)C)cc1	ZINC000408739957	570031730	/nfs/dbraw/zinc/03/17/30/570031730.db2.gz	GYWPIDAHLVDWTC-HYARGMPZSA-N	1	2	462.937	4.480	40	10		JICBLO
CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccc(N(CC)CC)cc1OC	ZINC000261365485	570169127	/nfs/dbraw/zinc/16/91/27/570169127.db2.gz	SRQJNPLLXZYDEU-DEOSSOPVSA-O	1	2	480.614	4.017	40	10		JICBLO
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1ccccc1	ZINC000223181605	569902398	/nfs/dbraw/zinc/90/23/98/569902398.db2.gz	MXHKAXRAYWBNJF-IZZNHLLZSA-N	1	2	475.662	4.184	40	10		JICBLO
CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc([NH+](C)C)cc2)c1C	ZINC000223655693	569919172	/nfs/dbraw/zinc/91/91/72/569919172.db2.gz	DMUHMZUYIHAOJN-JWQCQUIFSA-N	1	2	477.634	4.091	40	10		JICBLO
CCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccc(N(C)C)cc1	ZINC000261365069	570168945	/nfs/dbraw/zinc/16/89/45/570168945.db2.gz	PTDIBXHOFMVSMF-QHCPKHFHSA-O	1	2	450.588	4.008	40	10		JICBLO
CCc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c1C	ZINC000223139445	569900814	/nfs/dbraw/zinc/90/08/14/569900814.db2.gz	FJOXYYCXWSXLHS-RRPNLBNLSA-N	1	2	489.689	4.356	40	10		JICBLO
CCc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c1C	ZINC000223139335	569900823	/nfs/dbraw/zinc/90/08/23/569900823.db2.gz	FJOXYYCXWSXLHS-KAYWLYCHSA-N	1	2	489.689	4.356	40	10		JICBLO
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1-c1cccc(C)c1C	ZINC000223145028	569901051	/nfs/dbraw/zinc/90/10/51/569901051.db2.gz	FQSQEHMTTQNZLF-SXOMAYOGSA-N	1	2	489.689	4.411	40	10		JICBLO
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1-c1c(C)cccc1C	ZINC000223145607	569901074	/nfs/dbraw/zinc/90/10/74/569901074.db2.gz	PPDPGPUBQNPLTE-AHKZPQOWSA-N	1	2	489.689	4.411	40	10		JICBLO
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1ccccc1	ZINC000223181651	569902384	/nfs/dbraw/zinc/90/23/84/569902384.db2.gz	MXHKAXRAYWBNJF-UIOOFZCWSA-N	1	2	475.662	4.184	40	10		JICBLO
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1cccc(C)c1	ZINC000223182134	569902486	/nfs/dbraw/zinc/90/24/86/569902486.db2.gz	FZCYGAHSIHLHGU-SVBPBHIXSA-N	1	2	489.689	4.492	40	10		JICBLO
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1ccc(F)cc1	ZINC000223183740	569902543	/nfs/dbraw/zinc/90/25/43/569902543.db2.gz	DHDNPXROIGYAAV-CLJLJLNGSA-N	1	2	493.652	4.323	40	10		JICBLO
CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc([NH+](C)C)cc2)c1C	ZINC000223655524	569919163	/nfs/dbraw/zinc/91/91/63/569919163.db2.gz	DMUHMZUYIHAOJN-DQEYMECFSA-N	1	2	477.634	4.091	40	10		JICBLO
C[NH+](C)c1ccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1	ZINC000408952154	570084212	/nfs/dbraw/zinc/08/42/12/570084212.db2.gz	KNTQOTWKMSLDHE-XSFVSMFZSA-N	1	2	450.951	4.028	40	10		JICBLO
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1-c1cc(C)ccc1C	ZINC000223145401	569901065	/nfs/dbraw/zinc/90/10/65/569901065.db2.gz	DYNUPHZRUZYVHL-RRPNLBNLSA-N	1	2	489.689	4.411	40	10		JICBLO
COc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccc([NH+](C)C)cc3)c2C)C(=O)NC1=S	ZINC000409175034	570156510	/nfs/dbraw/zinc/15/65/10/570156510.db2.gz	YGOSHSVQGQMGOH-RCCKNPSSSA-N	1	2	474.586	4.000	40	10		JICBLO
CC1=CC(C)(C)N(C)c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCC[NH+]3CCOCC3)cc21	ZINC000260919482	570164058	/nfs/dbraw/zinc/16/40/58/570164058.db2.gz	LNNVEJIPEIBJSE-IZZNHLLZSA-N	1	2	491.705	4.408	40	10		JICBLO
COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc([NH+](C)C)cc2)c1C	ZINC000223725480	569921250	/nfs/dbraw/zinc/92/12/50/569921250.db2.gz	CITGSGFKXRYGSX-FTJBHMTQSA-N	1	2	491.661	4.481	40	10		JICBLO
Cc1cc(Br)ccc1N1C(=O)NC(=O)C(=Cc2cccn2-c2ccc([NH+](C)C)cc2)C1=O	ZINC000408951247	570084234	/nfs/dbraw/zinc/08/42/34/570084234.db2.gz	IKRMHQWHXGGQFY-XSFVSMFZSA-N	1	2	493.361	4.281	40	10		JICBLO
CC(C)c1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc([NH+](C)C)cc3)C(=O)NC2=S)cc1	ZINC000409237280	570180244	/nfs/dbraw/zinc/18/02/44/570180244.db2.gz	HSPMARPXCRSANN-XQNSMLJCSA-N	1	2	458.587	4.498	40	10		JICBLO
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1-c1ccccc1C	ZINC000223138345	569900742	/nfs/dbraw/zinc/90/07/42/569900742.db2.gz	YIAVAOCTIRYCQA-CLJLJLNGSA-N	1	2	475.662	4.102	40	10		JICBLO
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1-c1cccc(C)c1	ZINC000223138670	569900801	/nfs/dbraw/zinc/90/08/01/569900801.db2.gz	WNRKMVSQPTWOFX-FTJBHMTQSA-N	1	2	475.662	4.102	40	10		JICBLO
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1-c1cccc(C)c1C	ZINC000223145077	569901010	/nfs/dbraw/zinc/90/10/10/569901010.db2.gz	FQSQEHMTTQNZLF-RRPNLBNLSA-N	1	2	489.689	4.411	40	10		JICBLO
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1ccc(C)cc1	ZINC000223182208	569902465	/nfs/dbraw/zinc/90/24/65/569902465.db2.gz	UQWDZNWHVUFFJA-KAYWLYCHSA-N	1	2	489.689	4.492	40	10		JICBLO
CCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@H]1c1ccc(N(CC)CC)cc1	ZINC000261366417	570169617	/nfs/dbraw/zinc/16/96/17/570169617.db2.gz	ZPAJNQJHDNHBNK-QHCPKHFHSA-O	1	2	450.588	4.008	40	10		JICBLO
COc1ccc(-c2c(C)c3ccc(O)c(C[N@H+]4C[C@H]5C[C@H](Cn6c(=O)cccc65)C4)c3oc2=O)cc1	ZINC000085387535	569709780	/nfs/dbraw/zinc/70/97/80/569709780.db2.gz	SEWGKYURSPFCRW-AZUAARDMSA-N	1	2	484.552	4.264	40	10		JICBLO
COc1ccc(-c2c(C)c3ccc(O)c(C[N@@H+]4C[C@H]5C[C@H](Cn6c(=O)cccc65)C4)c3oc2=O)cc1	ZINC000085387535	569709781	/nfs/dbraw/zinc/70/97/81/569709781.db2.gz	SEWGKYURSPFCRW-AZUAARDMSA-N	1	2	484.552	4.264	40	10		JICBLO
COCCCn1c2nn(C[N@H+](Cc3ccc(N(C)C)cc3)C(C)C)c(=S)n2c2ccccc2c1=O	ZINC000040155469	569820725	/nfs/dbraw/zinc/82/07/25/569820725.db2.gz	WNGIMHUIYYCAMF-UHFFFAOYSA-N	1	2	494.665	4.151	40	10		JICBLO
COCCCn1c2nn(C[N@@H+](Cc3ccc(N(C)C)cc3)C(C)C)c(=S)n2c2ccccc2c1=O	ZINC000040155469	569820726	/nfs/dbraw/zinc/82/07/26/569820726.db2.gz	WNGIMHUIYYCAMF-UHFFFAOYSA-N	1	2	494.665	4.151	40	10		JICBLO
CCc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CC[NH+]3CCOCC3)c2C)cc1	ZINC000223139687	569900826	/nfs/dbraw/zinc/90/08/26/569900826.db2.gz	LLLGMJBRQXRZEF-RRPNLBNLSA-N	1	2	489.689	4.356	40	10		JICBLO
COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc([NH+](C)C)cc2)c1C	ZINC000223691404	569920133	/nfs/dbraw/zinc/92/01/33/569920133.db2.gz	QATYSYPUPJKSRL-LOSJGSFVSA-N	1	2	477.634	4.091	40	10		JICBLO
CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccc(N(CC)CC)cc1	ZINC000261363228	570167908	/nfs/dbraw/zinc/16/79/08/570167908.db2.gz	QCOKXJMNWVGVJC-QHCPKHFHSA-O	1	2	450.588	4.008	40	10		JICBLO
C[NH+](C)c1ccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)cc1	ZINC000409231945	570178201	/nfs/dbraw/zinc/17/82/01/570178201.db2.gz	GLHVZTLRSVDAKY-NBVRZTHBSA-N	1	2	450.951	4.028	40	10		JICBLO
CC(NCCSCc1[nH]c[nH+]c1C)=C1C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1	ZINC000112298070	569861252	/nfs/dbraw/zinc/86/12/52/569861252.db2.gz	CKEJCWDFGCFMSA-XLNRJJMWSA-N	1	2	476.562	4.174	40	10		JICBLO
CC1=CC(C)(C)N(C)c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCC[NH+]3CCOCC3)cc21	ZINC000223171428	569901942	/nfs/dbraw/zinc/90/19/42/569901942.db2.gz	LNNVEJIPEIBJSE-CLJLJLNGSA-N	1	2	491.705	4.408	40	10		JICBLO
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1ccccc1F	ZINC000223183288	569902521	/nfs/dbraw/zinc/90/25/21/569902521.db2.gz	IDSJGMYRFICILE-FTJBHMTQSA-N	1	2	493.652	4.323	40	10		JICBLO
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1ccccc1F	ZINC000223183221	569902540	/nfs/dbraw/zinc/90/25/40/569902540.db2.gz	IDSJGMYRFICILE-CLJLJLNGSA-N	1	2	493.652	4.323	40	10		JICBLO
O=C(CCCCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)NC1=[NH+]CCS1	ZINC000008820185	554706884	/nfs/dbraw/zinc/70/68/84/554706884.db2.gz	BIABCBBCPDDUEI-QINSGFPZSA-N	1	2	454.042	4.321	40	10		JICBLO
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1ccccc1	ZINC000223181495	569902409	/nfs/dbraw/zinc/90/24/09/569902409.db2.gz	MXHKAXRAYWBNJF-CLJLJLNGSA-N	1	2	475.662	4.184	40	10		JICBLO
CCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccc(N(C)C)cc1	ZINC000261365346	570169057	/nfs/dbraw/zinc/16/90/57/570169057.db2.gz	RNJBWFBVZMEVNT-DEOSSOPVSA-O	1	2	464.615	4.398	40	10		JICBLO
COc1ccc(N2C(=O)/C(=C3\c4ccccc4N(C[NH+]4CCCCC4)C3=O)SC2=S)cc1	ZINC000020248881	524382498	/nfs/dbraw/zinc/38/24/98/524382498.db2.gz	WPQBZLBEKFSAGH-MRCUWXFGSA-N	1	2	465.600	4.261	40	10		JICBLO
O=C(C[NH+]1CCCCCC1)Nc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)cs2)cc1	ZINC000016740493	556156431	/nfs/dbraw/zinc/15/64/31/556156431.db2.gz	ZABBIURYGXJELZ-UHFFFAOYSA-N	1	2	470.620	4.425	40	10		JICBLO
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1-c1ccccc1Cl	ZINC000223140770	569900889	/nfs/dbraw/zinc/90/08/89/569900889.db2.gz	HCLXBZXTERJCQU-DQEYMECFSA-N	1	2	496.080	4.447	40	10		JICBLO
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1-c1ccc(Cl)cc1	ZINC000223141147	569900929	/nfs/dbraw/zinc/90/09/29/569900929.db2.gz	LHBYQJUBNWQFTM-RPBOFIJWSA-N	1	2	496.080	4.447	40	10		JICBLO
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1cccc(F)c1	ZINC000223183549	569902507	/nfs/dbraw/zinc/90/25/07/569902507.db2.gz	FESMLXRJDDUCOI-FTJBHMTQSA-N	1	2	493.652	4.323	40	10		JICBLO
Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)c(C)n1-c1ccc([NH+](C)C)cc1	ZINC000409237405	570180404	/nfs/dbraw/zinc/18/04/04/570180404.db2.gz	ILSWGMRHGTYMKK-PXLXIMEGSA-N	1	2	458.587	4.300	40	10		JICBLO
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1-c1cc(C)cc(C)c1	ZINC000223145927	569901071	/nfs/dbraw/zinc/90/10/71/569901071.db2.gz	YTVIOSULIPSXLF-SVBPBHIXSA-N	1	2	489.689	4.411	40	10		JICBLO
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1ccccc1C	ZINC000223181726	569902395	/nfs/dbraw/zinc/90/23/95/569902395.db2.gz	CSLUCMSJMZXVPR-KAYWLYCHSA-N	1	2	489.689	4.492	40	10		JICBLO
CC[NH+](CC)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4cccnc4)C3=O)c2C)cc1	ZINC000409229523	570177137	/nfs/dbraw/zinc/17/71/37/570177137.db2.gz	QLZDIHUNTURWQP-HZHRSRAPSA-N	1	2	457.534	4.002	40	10		JICBLO
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1cccc(F)c1	ZINC000223183487	569902511	/nfs/dbraw/zinc/90/25/11/569902511.db2.gz	FESMLXRJDDUCOI-CLJLJLNGSA-N	1	2	493.652	4.323	40	10		JICBLO
CC[N@H+](CCCNC(=O)c1ccc(C)cc1I)c1ccc(OC)cc1	ZINC000225031725	569970364	/nfs/dbraw/zinc/97/03/64/569970364.db2.gz	QECXRRXGSSRBSV-UHFFFAOYSA-N	1	2	452.336	4.255	40	10		JICBLO
CC[N@@H+](CCCNC(=O)c1ccc(C)cc1I)c1ccc(OC)cc1	ZINC000225031725	569970366	/nfs/dbraw/zinc/97/03/66/569970366.db2.gz	QECXRRXGSSRBSV-UHFFFAOYSA-N	1	2	452.336	4.255	40	10		JICBLO
CC[NH+]1CCN(C2=NC(=O)/C(=C/c3ccc(OCc4ccc(C)cc4)c(OC)c3)S2)CC1	ZINC000019842290	555509422	/nfs/dbraw/zinc/50/94/22/555509422.db2.gz	BJVOQUJCCXSUJF-KQWNVCNZSA-N	1	2	451.592	4.190	40	10		JICBLO
COc1cccc(CN2CCC[N@@H+](Cc3cccc(OC)c3O)C2c2ccccc2O)c1O	ZINC000019325974	556341779	/nfs/dbraw/zinc/34/17/79/556341779.db2.gz	CKCXMGRYCICVGF-UHFFFAOYSA-N	1	2	450.535	4.227	40	10		JICBLO
COc1cccc(CN2CCC[N@H+](Cc3cccc(OC)c3O)C2c2ccccc2O)c1O	ZINC000019325974	556341780	/nfs/dbraw/zinc/34/17/80/556341780.db2.gz	CKCXMGRYCICVGF-UHFFFAOYSA-N	1	2	450.535	4.227	40	10		JICBLO
CCc1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c1C	ZINC000223139497	569900830	/nfs/dbraw/zinc/90/08/30/569900830.db2.gz	FJOXYYCXWSXLHS-SVBPBHIXSA-N	1	2	489.689	4.356	40	10		JICBLO
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1-c1cccc(Cl)c1	ZINC000223140900	569900877	/nfs/dbraw/zinc/90/08/77/569900877.db2.gz	BWTRFRCXCUZIAT-RPBOFIJWSA-N	1	2	496.080	4.447	40	10		JICBLO
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1-c1ccc(Cl)cc1	ZINC000223141199	569900927	/nfs/dbraw/zinc/90/09/27/569900927.db2.gz	LHBYQJUBNWQFTM-LOSJGSFVSA-N	1	2	496.080	4.447	40	10		JICBLO
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1-c1ccccc1Cl	ZINC000223140708	569900881	/nfs/dbraw/zinc/90/08/81/569900881.db2.gz	HCLXBZXTERJCQU-LOSJGSFVSA-N	1	2	496.080	4.447	40	10		JICBLO
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1cccc(F)c1	ZINC000223183672	569902504	/nfs/dbraw/zinc/90/25/04/569902504.db2.gz	FESMLXRJDDUCOI-UIOOFZCWSA-N	1	2	493.652	4.323	40	10		JICBLO
CC1=CC(C)(C)N(C)c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CC[NH+]3CCOCC3)cc21	ZINC000260927662	570164894	/nfs/dbraw/zinc/16/48/94/570164894.db2.gz	ZKDVAKUHRZUAAX-LOSJGSFVSA-N	1	2	477.678	4.018	40	10		JICBLO
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1-c1c(C)cccc1C	ZINC000223145674	569901100	/nfs/dbraw/zinc/90/11/00/569901100.db2.gz	PPDPGPUBQNPLTE-BDYUSTAISA-N	1	2	489.689	4.411	40	10		JICBLO
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1cccc(C)c1	ZINC000223181965	569902460	/nfs/dbraw/zinc/90/24/60/569902460.db2.gz	FZCYGAHSIHLHGU-KAYWLYCHSA-N	1	2	489.689	4.492	40	10		JICBLO
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1-c1cc(C)cc(C)c1	ZINC000223145755	569901096	/nfs/dbraw/zinc/90/10/96/569901096.db2.gz	YTVIOSULIPSXLF-KAYWLYCHSA-N	1	2	489.689	4.411	40	10		JICBLO
COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc([NH+](C)C)cc2)c1C	ZINC000223725569	569921277	/nfs/dbraw/zinc/92/12/77/569921277.db2.gz	CITGSGFKXRYGSX-CLJLJLNGSA-N	1	2	491.661	4.481	40	10		JICBLO
Cc1c(Cl)cccc1N1C(=O)/C(=C/c2cccn2-c2ccc([NH+](C)C)cc2)C(=O)NC1=S	ZINC000409117085	570134484	/nfs/dbraw/zinc/13/44/84/570134484.db2.gz	NAKUEURRCIPDHM-XMHGGMMESA-N	1	2	464.978	4.336	40	10		JICBLO
CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4ccc([NH+](C)C)cc4)c3C)C2=O)cc1	ZINC000408741320	570032320	/nfs/dbraw/zinc/03/23/20/570032320.db2.gz	PBZXDZUQHQQLPB-LFVJCYFKSA-N	1	2	472.545	4.225	40	10		JICBLO
C[NH+](C)c1ccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1	ZINC000409228257	570176589	/nfs/dbraw/zinc/17/65/89/570176589.db2.gz	WMAVEAWUNKODDT-XSFVSMFZSA-N	1	2	484.503	4.393	40	10		JICBLO
CC1=C(C(=O)N2CCN(c3ccccc3)CC2)[C@H](c2ccccc2O)n2c3ccccc3[nH+]c2N1	ZINC000022575839	555938686	/nfs/dbraw/zinc/93/86/86/555938686.db2.gz	RWNOZDJQJPBQGL-SANMLTNESA-N	1	2	465.557	4.380	40	10		JICBLO
CC1=C(C(=O)N2CCN(c3ccccc3)CC2)[C@@H](c2ccccc2O)n2c3ccccc3[nH+]c2N1	ZINC000022575834	555938716	/nfs/dbraw/zinc/93/87/16/555938716.db2.gz	RWNOZDJQJPBQGL-AREMUKBSSA-N	1	2	465.557	4.380	40	10		JICBLO
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1-c1cccc(C)c1	ZINC000223138612	569900805	/nfs/dbraw/zinc/90/08/05/569900805.db2.gz	WNRKMVSQPTWOFX-CLJLJLNGSA-N	1	2	475.662	4.102	40	10		JICBLO
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1-c1ccc(C)cc1	ZINC000223138968	569900809	/nfs/dbraw/zinc/90/08/09/569900809.db2.gz	HZPYCKWSKHPCKV-IZZNHLLZSA-N	1	2	475.662	4.102	40	10		JICBLO
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1-c1cccc(Cl)c1	ZINC000223141011	569900874	/nfs/dbraw/zinc/90/08/74/569900874.db2.gz	BWTRFRCXCUZIAT-DQEYMECFSA-N	1	2	496.080	4.447	40	10		JICBLO
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1-c1ccccc1Cl	ZINC000223140603	569900883	/nfs/dbraw/zinc/90/08/83/569900883.db2.gz	HCLXBZXTERJCQU-JWQCQUIFSA-N	1	2	496.080	4.447	40	10		JICBLO
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1-c1cccc(C)c1C	ZINC000223144965	569901013	/nfs/dbraw/zinc/90/10/13/569901013.db2.gz	FQSQEHMTTQNZLF-KAYWLYCHSA-N	1	2	489.689	4.411	40	10		JICBLO
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1ccccc1C	ZINC000223181888	569902492	/nfs/dbraw/zinc/90/24/92/569902492.db2.gz	CSLUCMSJMZXVPR-SVBPBHIXSA-N	1	2	489.689	4.492	40	10		JICBLO
CC1=CC(C)(C)N(C)c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CC[NH+]3CCOCC3)cc21	ZINC000260927667	570164921	/nfs/dbraw/zinc/16/49/21/570164921.db2.gz	ZKDVAKUHRZUAAX-RPBOFIJWSA-N	1	2	477.678	4.018	40	10		JICBLO
Cc1cc(C)c(N2C(=O)NC(=O)C(=CNc3c4ccccc4[nH+]c4ccccc43)C2=O)c(C)c1	ZINC000408535318	570189899	/nfs/dbraw/zinc/18/98/99/570189899.db2.gz	SGMZZJHWBUXFQJ-XSFVSMFZSA-N	1	2	450.498	4.314	40	10		JICBLO
CCc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CC[NH+]3CCOCC3)c2C)cc1	ZINC000223139584	569900807	/nfs/dbraw/zinc/90/08/07/569900807.db2.gz	LLLGMJBRQXRZEF-KAYWLYCHSA-N	1	2	489.689	4.356	40	10		JICBLO
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1-c1cc(C)cc(C)c1	ZINC000223145814	569901078	/nfs/dbraw/zinc/90/10/78/569901078.db2.gz	YTVIOSULIPSXLF-SXOMAYOGSA-N	1	2	489.689	4.411	40	10		JICBLO
COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc([NH+](C)C)cc2)c1C	ZINC000223691369	569920127	/nfs/dbraw/zinc/92/01/27/569920127.db2.gz	QATYSYPUPJKSRL-RPBOFIJWSA-N	1	2	477.634	4.091	40	10		JICBLO
CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccc(N(CC)CC)cc1	ZINC000261363225	570167865	/nfs/dbraw/zinc/16/78/65/570167865.db2.gz	QCOKXJMNWVGVJC-HSZRJFAPSA-O	1	2	450.588	4.008	40	10		JICBLO
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1-c1cccc(C)c1	ZINC000223138722	569900853	/nfs/dbraw/zinc/90/08/53/569900853.db2.gz	WNRKMVSQPTWOFX-IZZNHLLZSA-N	1	2	475.662	4.102	40	10		JICBLO
CCOc1ccccc1N1C(=O)NC(=O)C(=Cc2cc(C)n(-c3ccc([NH+](C)C)cc3)c2C)C1=O	ZINC000409243989	570183192	/nfs/dbraw/zinc/18/31/92/570183192.db2.gz	WAFMFEOTKPIKKI-CJLVFECKSA-N	1	2	472.545	4.225	40	10		JICBLO
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1ccccc1	ZINC000223181543	569902404	/nfs/dbraw/zinc/90/24/04/569902404.db2.gz	MXHKAXRAYWBNJF-FTJBHMTQSA-N	1	2	475.662	4.184	40	10		JICBLO
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1ccccc1C	ZINC000223181837	569902443	/nfs/dbraw/zinc/90/24/43/569902443.db2.gz	CSLUCMSJMZXVPR-RRPNLBNLSA-N	1	2	489.689	4.492	40	10		JICBLO
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1ccc(F)cc1	ZINC000223183861	569902500	/nfs/dbraw/zinc/90/25/00/569902500.db2.gz	DHDNPXROIGYAAV-IZZNHLLZSA-N	1	2	493.652	4.323	40	10		JICBLO
COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc([NH+](C)C)cc2)c1C	ZINC000223691458	569920084	/nfs/dbraw/zinc/92/00/84/569920084.db2.gz	QATYSYPUPJKSRL-JWQCQUIFSA-N	1	2	477.634	4.091	40	10		JICBLO
Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3)C2=O)c(C)n1-c1ccc([NH+](C)C)cc1	ZINC000408741036	570032150	/nfs/dbraw/zinc/03/21/50/570032150.db2.gz	NNPHYYIVHFBQAX-HZHRSRAPSA-N	1	2	458.587	4.300	40	10		JICBLO
CC1=CC(C)(C)N(C)c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCC[NH+]3CCOCC3)cc21	ZINC000260919484	570164096	/nfs/dbraw/zinc/16/40/96/570164096.db2.gz	LNNVEJIPEIBJSE-UIOOFZCWSA-N	1	2	491.705	4.408	40	10		JICBLO
CCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccc(N(C)C)cc1	ZINC000261365347	570169117	/nfs/dbraw/zinc/16/91/17/570169117.db2.gz	RNJBWFBVZMEVNT-XMMPIXPASA-O	1	2	464.615	4.398	40	10		JICBLO
CCc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CC[NH+]3CCOCC3)c2C)cc1	ZINC000223139633	569900796	/nfs/dbraw/zinc/90/07/96/569900796.db2.gz	LLLGMJBRQXRZEF-SXOMAYOGSA-N	1	2	489.689	4.356	40	10		JICBLO
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1-c1cccc(Cl)c1	ZINC000223140958	569900869	/nfs/dbraw/zinc/90/08/69/569900869.db2.gz	BWTRFRCXCUZIAT-LOSJGSFVSA-N	1	2	496.080	4.447	40	10		JICBLO
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1-c1cccc(Cl)c1	ZINC000223140845	569900932	/nfs/dbraw/zinc/90/09/32/569900932.db2.gz	BWTRFRCXCUZIAT-JWQCQUIFSA-N	1	2	496.080	4.447	40	10		JICBLO
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1ccc(C)cc1	ZINC000223182271	569902489	/nfs/dbraw/zinc/90/24/89/569902489.db2.gz	UQWDZNWHVUFFJA-SXOMAYOGSA-N	1	2	489.689	4.492	40	10		JICBLO
CC1=CC(C)(C)N(C)c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCC[NH+]3CCOCC3)cc21	ZINC000260919479	570164104	/nfs/dbraw/zinc/16/41/04/570164104.db2.gz	LNNVEJIPEIBJSE-FTJBHMTQSA-N	1	2	491.705	4.408	40	10		JICBLO
CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccc(N(CC)CC)cc1OC	ZINC000261365486	570169009	/nfs/dbraw/zinc/16/90/09/570169009.db2.gz	SRQJNPLLXZYDEU-XMMPIXPASA-O	1	2	480.614	4.017	40	10		JICBLO
Cc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc([NH+](C)C)cc3)C(=O)NC2=S)cc1Cl	ZINC000409230396	570177604	/nfs/dbraw/zinc/17/76/04/570177604.db2.gz	CWFMLXARENGLJW-DEDYPNTBSA-N	1	2	464.978	4.336	40	10		JICBLO
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1-c1ccc(C)cc1	ZINC000223138914	569900798	/nfs/dbraw/zinc/90/07/98/569900798.db2.gz	HZPYCKWSKHPCKV-FTJBHMTQSA-N	1	2	475.662	4.102	40	10		JICBLO
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1-c1ccc(Cl)cc1	ZINC000223141255	569900886	/nfs/dbraw/zinc/90/08/86/569900886.db2.gz	LHBYQJUBNWQFTM-DQEYMECFSA-N	1	2	496.080	4.447	40	10		JICBLO
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1-c1cccc(C)c1C	ZINC000223145141	569901034	/nfs/dbraw/zinc/90/10/34/569901034.db2.gz	FQSQEHMTTQNZLF-SVBPBHIXSA-N	1	2	489.689	4.411	40	10		JICBLO
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1-c1cc(C)ccc1C	ZINC000223145331	569901063	/nfs/dbraw/zinc/90/10/63/569901063.db2.gz	DYNUPHZRUZYVHL-SXOMAYOGSA-N	1	2	489.689	4.411	40	10		JICBLO
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1-c1c(C)cccc1C	ZINC000223145543	569901116	/nfs/dbraw/zinc/90/11/16/569901116.db2.gz	PPDPGPUBQNPLTE-VPUSJEBWSA-N	1	2	489.689	4.411	40	10		JICBLO
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1cccc(C)c1	ZINC000223182081	569902422	/nfs/dbraw/zinc/90/24/22/569902422.db2.gz	FZCYGAHSIHLHGU-RRPNLBNLSA-N	1	2	489.689	4.492	40	10		JICBLO
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1ccc(F)cc1	ZINC000223183915	569902559	/nfs/dbraw/zinc/90/25/59/569902559.db2.gz	DHDNPXROIGYAAV-UIOOFZCWSA-N	1	2	493.652	4.323	40	10		JICBLO
CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc([NH+](C)C)cc2)c1C	ZINC000223655633	569919185	/nfs/dbraw/zinc/91/91/85/569919185.db2.gz	DMUHMZUYIHAOJN-LOSJGSFVSA-N	1	2	477.634	4.091	40	10		JICBLO
Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1ccc([NH+](C)C)cc1	ZINC000408846842	570054737	/nfs/dbraw/zinc/05/47/37/570054737.db2.gz	SKOSKZJSEVPARG-BUVRLJJBSA-N	1	2	456.546	4.443	40	10		JICBLO
CC1=CC(C)(C)N(C)c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CC[NH+]3CCOCC3)cc21	ZINC000223128805	569900341	/nfs/dbraw/zinc/90/03/41/569900341.db2.gz	ZKDVAKUHRZUAAX-JWQCQUIFSA-N	1	2	477.678	4.018	40	10		JICBLO
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1-c1ccc(C)cc1	ZINC000223138856	569900862	/nfs/dbraw/zinc/90/08/62/569900862.db2.gz	HZPYCKWSKHPCKV-CLJLJLNGSA-N	1	2	475.662	4.102	40	10		JICBLO