smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(N(C)C)cc4)[C@H]3C2=O)c1	ZINC000101004931	556634722	/nfs/dbraw/zinc/63/47/22/556634722.db2.gz	VVTKWUUSERNDRC-SGNDLWITSA-N	0	3	427.504	4.112	40	10		IICBHN
CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccccc4O)[C@@H]3C2=O)cc1	ZINC000101178357	556651532	/nfs/dbraw/zinc/65/15/32/556651532.db2.gz	PWGSGXKGZUSYKQ-VXNXHJTFSA-N	0	3	444.487	4.232	40	10		IICBHN
CCN(CC)c1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2CC(=O)N2CCCCC2)cc1	ZINC000002242448	556759712	/nfs/dbraw/zinc/75/97/12/556759712.db2.gz	QMTLNFNTCKJVJE-RNXOBYDBSA-N	0	3	427.633	4.213	40	10		IICBHN
CCN(CC)CCOC(=O)c1ccc(NN=C2Sc3nc4ccccc4n3C2=O)cc1	ZINC000104241691	557323378	/nfs/dbraw/zinc/32/33/78/557323378.db2.gz	FDOCEPSCTAMALS-WWDJGNSZSA-N	0	3	437.525	4.391	40	10		IICBHN
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1cccc(C)c1	ZINC000223265638	557452883	/nfs/dbraw/zinc/45/28/83/557452883.db2.gz	ZGZPSWUFQJZAET-DNQXCXABSA-N	0	3	433.625	4.332	40	10		IICBHN
Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(N(C)C)cc4)[C@@H]3C2=O)cc1	ZINC000100799215	556591226	/nfs/dbraw/zinc/59/12/26/556591226.db2.gz	SUZLDVKKXHHIIA-VXNXHJTFSA-N	0	3	427.504	4.112	40	10		IICBHN
CC1=CC(C)(C)N(C)c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCN(C)C)cc21	ZINC000260921106	568629595	/nfs/dbraw/zinc/62/95/95/568629595.db2.gz	OIHZGRZEHUOWAA-XZOQPEGZSA-N	0	3	435.641	4.247	40	10		IICBHN
CCN1CCc2cc(CN3CCC[C@H](c4n[nH]cc4C(=O)N4CCCCCC4)C3)ccc21	ZINC000257253979	568690497	/nfs/dbraw/zinc/69/04/97/568690497.db2.gz	KBBDGLCXAVVBLB-QFIPXVFZSA-N	0	3	435.616	4.188	40	10		IICBHN
CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccccc4O)[C@H]3C2=O)cc1	ZINC000009232878	569294669	/nfs/dbraw/zinc/29/46/69/569294669.db2.gz	PWGSGXKGZUSYKQ-SMIHKQSGSA-N	0	3	444.487	4.232	40	10		IICBHN
Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(N(C)C)cc4)[C@H]3C2=O)c(C)c1	ZINC000097951967	557178275	/nfs/dbraw/zinc/17/82/75/557178275.db2.gz	OXOJCPIGDKKQKH-SDHSZQHLSA-N	0	3	441.531	4.421	40	10		IICBHN
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1ccc(C)cc1	ZINC000223265954	557452919	/nfs/dbraw/zinc/45/29/19/557452919.db2.gz	USQLGXSZIDDCTG-RPWUZVMVSA-N	0	3	433.625	4.332	40	10		IICBHN
O=C1CCCC[C@]2(CN(Cc3ccc(N4CCCCC4)cc3F)C[C@H]2c2ccccn2)N1	ZINC000019402270	556753924	/nfs/dbraw/zinc/75/39/24/556753924.db2.gz	KLLFWGNBMISBAG-BKMJKUGQSA-N	0	3	436.575	4.239	40	10		IICBHN
CN(C)c1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4Cl)C(=O)C3ON2c2ccccc2)cc1	ZINC000095630006	557159594	/nfs/dbraw/zinc/15/95/94/557159594.db2.gz	PHMDQFHXSRWGJF-VJBWXMMDSA-N	0	3	447.922	4.457	40	10		IICBHN
CN(C)c1ccc([C@H]2[C@@H]3C(=O)N(c4ccccc4Cl)C(=O)C3ON2c2ccccc2)cc1	ZINC000137901321	556699083	/nfs/dbraw/zinc/69/90/83/556699083.db2.gz	PHMDQFHXSRWGJF-RJGXRXQPSA-N	0	3	447.922	4.457	40	10		IICBHN
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1ccc(C)cc1	ZINC000223266067	557452814	/nfs/dbraw/zinc/45/28/14/557452814.db2.gz	USQLGXSZIDDCTG-ZEQRLZLVSA-N	0	3	433.625	4.332	40	10		IICBHN
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1ccc(F)cc1	ZINC000223267487	557453382	/nfs/dbraw/zinc/45/33/82/557453382.db2.gz	DVSCXFJIWVJNMC-XZOQPEGZSA-N	0	3	437.588	4.162	40	10		IICBHN
COc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCN(C)C)c2C)c1	ZINC000223269752	557453900	/nfs/dbraw/zinc/45/39/00/557453900.db2.gz	NUAPSWJNEVCAED-BJKOFHAPSA-N	0	3	449.624	4.032	40	10		IICBHN
CCc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(N(C)C)cc4)[C@@H]3C2=O)cc1	ZINC000009461682	569296498	/nfs/dbraw/zinc/29/64/98/569296498.db2.gz	KRWAHTYTUHKDKY-GVAUOCQISA-N	0	3	441.531	4.366	40	10		IICBHN
CN1C(=O)c2ccc(-c3ccc(F)cc3F)cc2O[C@H]2CN(Cc3ccccc3O)C[C@H]21	ZINC000514289167	556625449	/nfs/dbraw/zinc/62/54/49/556625449.db2.gz	FQMQTMUPTNHBPF-QPPBQGQZSA-N	0	3	436.458	4.055	40	10	biogenic,in-vitro	IICBHN
CCN(CC)c1ccc([C@H]2[C@H]3CCCC[C@]3(O)CCN2CC(=O)N2CCCCC2)cc1	ZINC000004301895	557534798	/nfs/dbraw/zinc/53/47/98/557534798.db2.gz	QMTLNFNTCKJVJE-AFESJLNVSA-N	0	3	427.633	4.213	40	10		IICBHN
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1cccc(F)c1	ZINC000223267137	193959600	/nfs/dbraw/zinc/95/96/00/193959600.db2.gz	CZFPLGOBVOGGPS-DHIUTWEWSA-N	0	3	437.588	4.162	40	10		IICBHN
CC1=CC(C)(C)N(C)c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCN(C)C)cc21	ZINC000223256306	557451626	/nfs/dbraw/zinc/45/16/26/557451626.db2.gz	OIHZGRZEHUOWAA-DHIUTWEWSA-N	0	3	435.641	4.247	40	10		IICBHN
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1cccc(C)c1	ZINC000223265694	557452923	/nfs/dbraw/zinc/45/29/23/557452923.db2.gz	ZGZPSWUFQJZAET-RPWUZVMVSA-N	0	3	433.625	4.332	40	10		IICBHN
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1ccc(F)cc1	ZINC000223267434	557453413	/nfs/dbraw/zinc/45/34/13/557453413.db2.gz	DVSCXFJIWVJNMC-PKTZIBPZSA-N	0	3	437.588	4.162	40	10		IICBHN
COc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCN(C)C)c2C)c1	ZINC000223269624	557453905	/nfs/dbraw/zinc/45/39/05/557453905.db2.gz	NUAPSWJNEVCAED-DNQXCXABSA-N	0	3	449.624	4.032	40	10		IICBHN
Cc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3ccc(N(C)C)cc3)[C@H]2C1=O	ZINC000100799190	556591091	/nfs/dbraw/zinc/59/10/91/556591091.db2.gz	MTHKDCZYNZGXGA-SGNDLWITSA-N	0	3	427.504	4.112	40	10		IICBHN
Cc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@H](c3ccc(N(C)C)cc3)[C@H]2C1=O	ZINC000100799196	556591114	/nfs/dbraw/zinc/59/11/14/556591114.db2.gz	MTHKDCZYNZGXGA-SMIHKQSGSA-N	0	3	427.504	4.112	40	10		IICBHN
Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(N(C)C)cc4)[C@@H]3C2=O)c(C)c1	ZINC000097951966	557178305	/nfs/dbraw/zinc/17/83/05/557178305.db2.gz	OXOJCPIGDKKQKH-SDHOMARFSA-N	0	3	441.531	4.421	40	10		IICBHN
C[C@@]1(O)CCN(Cc2ccccc2O)[C@@H](c2ccccc2)[C@@H]1NC(=O)c1ccc(F)cc1	ZINC000604383108	557237409	/nfs/dbraw/zinc/23/74/09/557237409.db2.gz	JGEWTHYRNNQJIV-KYPHJKQUSA-N	0	3	434.511	4.028	40	10	biogenic,in-vitro	IICBHN
COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCN(C)C)c2C)cc1	ZINC000223269877	557453911	/nfs/dbraw/zinc/45/39/11/557453911.db2.gz	AIOVIJKEGWHLSL-DNQXCXABSA-N	0	3	449.624	4.032	40	10		IICBHN
CC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc([O-])c(C[NH+]5CCCCC5)c4)OCC[C@@]31C2	ZINC000257245313	568686055	/nfs/dbraw/zinc/68/60/55/568686055.db2.gz	IOXZNTUEOZWGFW-IRAZMCGKSA-N	0	3	426.601	4.397	40	10		IICBHN
COc1ccc(CNCc2cc(-c3ccc(Cl)cc3)c[nH]c2=O)cc1Cn1cccn1	ZINC000012187453	524072389	/nfs/dbraw/zinc/07/23/89/524072389.db2.gz	TXYGMRZOWRXYNP-UHFFFAOYSA-N	0	3	434.927	4.239	40	10		IICBHN
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1ccc(F)cc1	ZINC000223267385	557453428	/nfs/dbraw/zinc/45/34/28/557453428.db2.gz	DVSCXFJIWVJNMC-DHIUTWEWSA-N	0	3	437.588	4.162	40	10		IICBHN
CC1=CC(C)(C)N(C)c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCN(C)C)cc21	ZINC000260921102	568629644	/nfs/dbraw/zinc/62/96/44/568629644.db2.gz	OIHZGRZEHUOWAA-PKTZIBPZSA-N	0	3	435.641	4.247	40	10		IICBHN
Cc1cc(N2CCOCC2)ccc1CN1CCC(n2c(=O)oc3ccc(Cl)cc32)CC1	ZINC000072347914	556919292	/nfs/dbraw/zinc/91/92/92/556919292.db2.gz	JPOQLZYZODLLRQ-UHFFFAOYSA-N	0	3	441.959	4.230	40	10		IICBHN
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1cccc(F)c1	ZINC000223267190	557453164	/nfs/dbraw/zinc/45/31/64/557453164.db2.gz	CZFPLGOBVOGGPS-PKTZIBPZSA-N	0	3	437.588	4.162	40	10		IICBHN
COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCN(C)C)c2C)cc1	ZINC000223270005	557453829	/nfs/dbraw/zinc/45/38/29/557453829.db2.gz	AIOVIJKEGWHLSL-BJKOFHAPSA-N	0	3	449.624	4.032	40	10		IICBHN
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1ccccc1C	ZINC000223265442	193959398	/nfs/dbraw/zinc/95/93/98/193959398.db2.gz	LLUBPCOQJKKEAH-RPWUZVMVSA-N	0	3	433.625	4.332	40	10		IICBHN
Cc1c(Cl)cccc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3ccccc3O)[C@H]2C1=O	ZINC000100898157	556599921	/nfs/dbraw/zinc/59/99/21/556599921.db2.gz	OBCHLMTVSZBEEC-FSSWDIPSSA-N	0	3	434.879	4.405	40	10		IICBHN
CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccccc4O)[C@@H]3C2=O)cc1	ZINC000018059951	556682477	/nfs/dbraw/zinc/68/24/77/556682477.db2.gz	PWGSGXKGZUSYKQ-HJOGWXRNSA-N	0	3	444.487	4.232	40	10		IICBHN
CC(=O)NC1(c2ccc(F)cc2)CCN(Cc2ccc([O-])c(C[NH+]3CCCCC3)c2)CC1	ZINC000019021084	556693623	/nfs/dbraw/zinc/69/36/23/556693623.db2.gz	VHLXPWOUVDJXBC-UHFFFAOYSA-N	0	3	439.575	4.145	40	10		IICBHN
CCc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(N(C)C)cc4)[C@@H]3C2=O)cc1	ZINC000013750126	556725571	/nfs/dbraw/zinc/72/55/71/556725571.db2.gz	KRWAHTYTUHKDKY-SDHOMARFSA-N	0	3	441.531	4.366	40	10		IICBHN
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1cccc(F)c1	ZINC000223267308	557453339	/nfs/dbraw/zinc/45/33/39/557453339.db2.gz	CZFPLGOBVOGGPS-GOTSBHOMSA-N	0	3	437.588	4.162	40	10		IICBHN
Cc1c(Cl)cccc1N1C(=O)C2ON(c3ccccc3)[C@H](c3ccccc3O)[C@@H]2C1=O	ZINC000009462005	569296528	/nfs/dbraw/zinc/29/65/28/569296528.db2.gz	OBCHLMTVSZBEEC-BDTNDASRSA-N	0	3	434.879	4.405	40	10		IICBHN
COc1cc(CN2CCC(NC(C)=O)(c3ccc(F)cc3)CC2)ccc1N1CCCC1	ZINC000019021093	556693582	/nfs/dbraw/zinc/69/35/82/556693582.db2.gz	WVHWZBYBJJTOFK-UHFFFAOYSA-N	0	3	425.548	4.062	40	10		IICBHN
Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(N(C)C)cc4)[C@H]3C2=O)c(C)c1	ZINC000013660822	556708406	/nfs/dbraw/zinc/70/84/06/556708406.db2.gz	OXOJCPIGDKKQKH-DSITVLBTSA-N	0	3	441.531	4.421	40	10		IICBHN
Cc1cccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(N(C)C)cc4)[C@@H]3C2=O)c1	ZINC000018084155	556683406	/nfs/dbraw/zinc/68/34/06/556683406.db2.gz	VVTKWUUSERNDRC-HJOGWXRNSA-N	0	3	427.504	4.112	40	10		IICBHN
COc1cc(N2CCCCC2)ccc1CN1CCC(NC(C)=O)(c2ccc(F)cc2)CC1	ZINC000019021117	556693587	/nfs/dbraw/zinc/69/35/87/556693587.db2.gz	ZIYBNOZWYWRVRX-UHFFFAOYSA-N	0	3	439.575	4.452	40	10		IICBHN
COc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCN(C)C)c2C)c1	ZINC000223269698	557453795	/nfs/dbraw/zinc/45/37/95/557453795.db2.gz	NUAPSWJNEVCAED-RPWUZVMVSA-N	0	3	449.624	4.032	40	10		IICBHN
COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCN(C)C)c2C)cc1	ZINC000223270056	557454126	/nfs/dbraw/zinc/45/41/26/557454126.db2.gz	AIOVIJKEGWHLSL-ZEQRLZLVSA-N	0	3	449.624	4.032	40	10		IICBHN
Cc1ccccc1N1C(=O)C2ON(c3ccccc3C)[C@@H](c3ccc(N(C)C)cc3)[C@H]2C1=O	ZINC000169690230	557461092	/nfs/dbraw/zinc/46/10/92/557461092.db2.gz	HZKSZEJINJBVJV-DSITVLBTSA-N	0	3	441.531	4.421	40	10		IICBHN
Cc1c(Cl)cccc1N1C(=O)C2ON(c3ccccc3)[C@H](c3ccccc3O)[C@H]2C1=O	ZINC000100898159	556599858	/nfs/dbraw/zinc/59/98/58/556599858.db2.gz	OBCHLMTVSZBEEC-VSKRKVRLSA-N	0	3	434.879	4.405	40	10		IICBHN
CCc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(N(C)C)cc4)[C@H]3C2=O)cc1	ZINC000101025067	556644063	/nfs/dbraw/zinc/64/40/63/556644063.db2.gz	KRWAHTYTUHKDKY-DSITVLBTSA-N	0	3	441.531	4.366	40	10		IICBHN
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1ccc(C)cc1	ZINC000223266015	557452927	/nfs/dbraw/zinc/45/29/27/557452927.db2.gz	USQLGXSZIDDCTG-BJKOFHAPSA-N	0	3	433.625	4.332	40	10		IICBHN
COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCN(C)C)c2C)cc1	ZINC000223269948	557453788	/nfs/dbraw/zinc/45/37/88/557453788.db2.gz	AIOVIJKEGWHLSL-RPWUZVMVSA-N	0	3	449.624	4.032	40	10		IICBHN
CNC(=O)CCN1CCN(CC/C=C2/c3ccccc3Sc3ccc(Cl)cc32)CC1	ZINC000000608277	557656159	/nfs/dbraw/zinc/65/61/59/557656159.db2.gz	WXFFTUKVTRHPLQ-SWNXQHNESA-N	0	3	442.028	4.380	40	10	in-man	IICBHN
CCN(CC)CCOC(=O)c1ccc(NN=C2Sc3nc4ccccc4n3C2=O)cc1	ZINC000104241686	557323385	/nfs/dbraw/zinc/32/33/85/557323385.db2.gz	FDOCEPSCTAMALS-KRXRYSOXSA-N	0	3	437.525	4.391	40	10		IICBHN
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1ccc(C)cc1	ZINC000223265902	557452875	/nfs/dbraw/zinc/45/28/75/557452875.db2.gz	USQLGXSZIDDCTG-DNQXCXABSA-N	0	3	433.625	4.332	40	10		IICBHN
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1cccc(C)c1	ZINC000223265748	557452951	/nfs/dbraw/zinc/45/29/51/557452951.db2.gz	ZGZPSWUFQJZAET-BJKOFHAPSA-N	0	3	433.625	4.332	40	10		IICBHN
CCCN1C(=O)/C(=C\c2cc(C)n(-c3ccncc3)c2C)C(=O)N(c2ccccc2)C1=S	ZINC000409021840	556922493	/nfs/dbraw/zinc/92/24/93/556922493.db2.gz	BJWXDIUYHISXOA-CJLVFECKSA-N	0	3	444.560	4.443	40	10		IICBHN
CCCN1CC[N@H+](Cc2ccccc2[O-])C[C@H](Cc2ccccc2-c2cccnc2)C1=O	ZINC000585183657	557139689	/nfs/dbraw/zinc/13/96/89/557139689.db2.gz	ZWSUKDPLAYFJBY-DEOSSOPVSA-N	0	3	429.564	4.367	40	10		IICBHN
CCCN1CC[N@@H+](Cc2ccccc2[O-])C[C@H](Cc2ccccc2-c2cccnc2)C1=O	ZINC000585183657	557139693	/nfs/dbraw/zinc/13/96/93/557139693.db2.gz	ZWSUKDPLAYFJBY-DEOSSOPVSA-N	0	3	429.564	4.367	40	10		IICBHN
Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(N(C)C)cc4)[C@@H]3C2=O)c(C)c1	ZINC000018046105	569284300	/nfs/dbraw/zinc/28/43/00/569284300.db2.gz	OXOJCPIGDKKQKH-GVAUOCQISA-N	0	3	441.531	4.421	40	10		IICBHN
Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(N(C)C)cc4)[C@H]3C2=O)cc1	ZINC000100799210	556591190	/nfs/dbraw/zinc/59/11/90/556591190.db2.gz	SUZLDVKKXHHIIA-SGNDLWITSA-N	0	3	427.504	4.112	40	10		IICBHN
CN(C)c1ccc([C@H]2[C@@H]3C(=O)N(c4ccccc4Cl)C(=O)C3ON2c2ccccc2)cc1	ZINC000018155177	556685255	/nfs/dbraw/zinc/68/52/55/556685255.db2.gz	PHMDQFHXSRWGJF-VABKMULXSA-N	0	3	447.922	4.457	40	10		IICBHN
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1cccc(F)c1	ZINC000223267244	557453175	/nfs/dbraw/zinc/45/31/75/557453175.db2.gz	CZFPLGOBVOGGPS-XZOQPEGZSA-N	0	3	437.588	4.162	40	10		IICBHN
COc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCN(C)C)c2C)c1	ZINC000223269796	557453804	/nfs/dbraw/zinc/45/38/04/557453804.db2.gz	NUAPSWJNEVCAED-ZEQRLZLVSA-N	0	3	449.624	4.032	40	10		IICBHN
Cc1cccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(N(C)C)cc4)[C@@H]3C2=O)c1	ZINC000018068271	569284672	/nfs/dbraw/zinc/28/46/72/569284672.db2.gz	VVTKWUUSERNDRC-VXNXHJTFSA-N	0	3	427.504	4.112	40	10		IICBHN
Cc1ccc2occ(CN(CCCn3ccnc3)Cc3ccc(N(C)C)cc3)c(=O)c2c1	ZINC000013991162	557400240	/nfs/dbraw/zinc/40/02/40/557400240.db2.gz	MSALVUZBOPMDTG-UHFFFAOYSA-N	0	3	430.552	4.456	40	10		IICBHN
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1ccccc1C	ZINC000223265556	557452933	/nfs/dbraw/zinc/45/29/33/557452933.db2.gz	LLUBPCOQJKKEAH-ZEQRLZLVSA-N	0	3	433.625	4.332	40	10		IICBHN
CCCN1CC[N@H+](Cc2ccccc2[O-])C[C@@H](Cc2ccccc2-c2cccnc2)C1=O	ZINC000585183658	557139646	/nfs/dbraw/zinc/13/96/46/557139646.db2.gz	ZWSUKDPLAYFJBY-XMMPIXPASA-N	0	3	429.564	4.367	40	10		IICBHN
CCCN1CC[N@@H+](Cc2ccccc2[O-])C[C@@H](Cc2ccccc2-c2cccnc2)C1=O	ZINC000585183658	557139651	/nfs/dbraw/zinc/13/96/51/557139651.db2.gz	ZWSUKDPLAYFJBY-XMMPIXPASA-N	0	3	429.564	4.367	40	10		IICBHN
CCCN1CC[N@H+](Cc2ccccc2[O-])C[C@H](Cc2ccccc2-c2ccncc2)C1=O	ZINC000257275893	568700293	/nfs/dbraw/zinc/70/02/93/568700293.db2.gz	NRKMUNHGWBMWAL-DEOSSOPVSA-N	0	3	429.564	4.367	40	10		IICBHN
CCCN1CC[N@@H+](Cc2ccccc2[O-])C[C@H](Cc2ccccc2-c2ccncc2)C1=O	ZINC000257275893	568700297	/nfs/dbraw/zinc/70/02/97/568700297.db2.gz	NRKMUNHGWBMWAL-DEOSSOPVSA-N	0	3	429.564	4.367	40	10		IICBHN
Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(N(C)C)cc4)[C@@H]3C2=O)cc1	ZINC000018068269	569284704	/nfs/dbraw/zinc/28/47/04/569284704.db2.gz	SUZLDVKKXHHIIA-HJOGWXRNSA-N	0	3	427.504	4.112	40	10		IICBHN
CN(C)CCOC(=O)CCCCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S	ZINC000008820212	556220078	/nfs/dbraw/zinc/22/00/78/556220078.db2.gz	XVYJZYHQGFBHQB-VKAVYKQESA-N	0	3	441.018	4.206	40	10		IICBHN
CCc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(N(C)C)cc4)[C@H]3C2=O)cc1	ZINC000101025073	556644070	/nfs/dbraw/zinc/64/40/70/556644070.db2.gz	KRWAHTYTUHKDKY-SDHSZQHLSA-N	0	3	441.531	4.366	40	10		IICBHN
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1ccccc1F	ZINC000223267058	557453194	/nfs/dbraw/zinc/45/31/94/557453194.db2.gz	VJFBZWXWYVVCBC-GOTSBHOMSA-N	0	3	437.588	4.162	40	10		IICBHN
CN(C)c1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4Cl)C(=O)C3ON2c2ccccc2)cc1	ZINC000169682726	557210221	/nfs/dbraw/zinc/21/02/21/557210221.db2.gz	PHMDQFHXSRWGJF-XPWALMASSA-N	0	3	447.922	4.457	40	10		IICBHN
CCN(CC)CCOC(=O)c1ccc(NN=C2Sc3nc4ccccc4n3C2=O)cc1	ZINC000104241673	557323367	/nfs/dbraw/zinc/32/33/67/557323367.db2.gz	FDOCEPSCTAMALS-LYEHZDMLSA-N	0	3	437.525	4.391	40	10		IICBHN
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1ccccc1F	ZINC000223266933	557453109	/nfs/dbraw/zinc/45/31/09/557453109.db2.gz	VJFBZWXWYVVCBC-PKTZIBPZSA-N	0	3	437.588	4.162	40	10		IICBHN
Cc1cccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(N(C)C)cc4)[C@H]3C2=O)c1	ZINC000101004937	556634662	/nfs/dbraw/zinc/63/46/62/556634662.db2.gz	VVTKWUUSERNDRC-SMIHKQSGSA-N	0	3	427.504	4.112	40	10		IICBHN
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1ccccc1F	ZINC000223266998	557453150	/nfs/dbraw/zinc/45/31/50/557453150.db2.gz	VJFBZWXWYVVCBC-XZOQPEGZSA-N	0	3	437.588	4.162	40	10		IICBHN
CCOc1cc(CN2CCC(NC(C)=O)(c3ccc(F)cc3)CC2)ccc1N1CCCC1	ZINC000019531827	556792368	/nfs/dbraw/zinc/79/23/68/556792368.db2.gz	PTPCBDZNYMGBAF-UHFFFAOYSA-N	0	3	439.575	4.452	40	10		IICBHN
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1ccccc1C	ZINC000223265507	557452832	/nfs/dbraw/zinc/45/28/32/557452832.db2.gz	LLUBPCOQJKKEAH-BJKOFHAPSA-N	0	3	433.625	4.332	40	10		IICBHN
CCCN1CC[N@H+](Cc2ccccc2[O-])C[C@@H](Cc2ccccc2-c2ccncc2)C1=O	ZINC000257275894	568700361	/nfs/dbraw/zinc/70/03/61/568700361.db2.gz	NRKMUNHGWBMWAL-XMMPIXPASA-N	0	3	429.564	4.367	40	10		IICBHN
CCCN1CC[N@@H+](Cc2ccccc2[O-])C[C@@H](Cc2ccccc2-c2ccncc2)C1=O	ZINC000257275894	568700363	/nfs/dbraw/zinc/70/03/63/568700363.db2.gz	NRKMUNHGWBMWAL-XMMPIXPASA-N	0	3	429.564	4.367	40	10		IICBHN
Cc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@H](c3ccc(N(C)C)cc3)[C@@H]2C1=O	ZINC000018090049	569284744	/nfs/dbraw/zinc/28/47/44/569284744.db2.gz	MTHKDCZYNZGXGA-VXNXHJTFSA-N	0	3	427.504	4.112	40	10		IICBHN
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1ccccc1C	ZINC000223265386	557452913	/nfs/dbraw/zinc/45/29/13/557452913.db2.gz	LLUBPCOQJKKEAH-DNQXCXABSA-N	0	3	433.625	4.332	40	10		IICBHN
O=C(NCc1ccc(N2CCOCC2)cc1)c1ccc(CN2CCc3ccccc3C2)cc1	ZINC000013672554	132352994	/nfs/dbraw/zinc/35/29/94/132352994.db2.gz	VPDOSFSGLQYKGI-UHFFFAOYSA-N	0	3	441.575	4.012	40	10		IICBHN
CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccccc4O)[C@H]3C2=O)cc1	ZINC000101178355	556651556	/nfs/dbraw/zinc/65/15/56/556651556.db2.gz	PWGSGXKGZUSYKQ-SGNDLWITSA-N	0	3	444.487	4.232	40	10		IICBHN
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1ccc(F)cc1	ZINC000223267546	557453402	/nfs/dbraw/zinc/45/34/02/557453402.db2.gz	DVSCXFJIWVJNMC-GOTSBHOMSA-N	0	3	437.588	4.162	40	10		IICBHN
CNC(=O)CCN1CCN(CC/C=C2\c3ccccc3Sc3ccc(Cl)cc32)CC1	ZINC000031623387	568614842	/nfs/dbraw/zinc/61/48/42/568614842.db2.gz	WXFFTUKVTRHPLQ-KPSZGOFPSA-N	0	3	442.028	4.380	40	10		IICBHN
CC1=CC(C)(C)N(C)c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCN(C)C)cc21	ZINC000260921097	568629568	/nfs/dbraw/zinc/62/95/68/568629568.db2.gz	OIHZGRZEHUOWAA-GOTSBHOMSA-N	0	3	435.641	4.247	40	10		IICBHN
CCN1CCc2cc(CN3CCC[C@@H](c4n[nH]cc4C(=O)N4CCCCCC4)C3)ccc21	ZINC000257253978	568690392	/nfs/dbraw/zinc/69/03/92/568690392.db2.gz	KBBDGLCXAVVBLB-JOCHJYFZSA-N	0	3	435.616	4.188	40	10		IICBHN
Cc1c(Cl)cccc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3ccccc3O)[C@@H]2C1=O	ZINC000013750458	556725952	/nfs/dbraw/zinc/72/59/52/556725952.db2.gz	OBCHLMTVSZBEEC-FKBYEOEOSA-N	0	3	434.879	4.405	40	10		IICBHN
CC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc([O-])c(C[NH+]5CCCCC5)c4)OCC[C@]13C2	ZINC000585261207	557194282	/nfs/dbraw/zinc/19/42/82/557194282.db2.gz	IOXZNTUEOZWGFW-SYOGCCDTSA-N	0	3	426.601	4.397	40	10		IICBHN
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1ccccc1F	ZINC000223266881	557453123	/nfs/dbraw/zinc/45/31/23/557453123.db2.gz	VJFBZWXWYVVCBC-DHIUTWEWSA-N	0	3	437.588	4.162	40	10		IICBHN
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1cccc(C)c1	ZINC000223265807	193959326	/nfs/dbraw/zinc/95/93/26/193959326.db2.gz	ZGZPSWUFQJZAET-ZEQRLZLVSA-N	0	3	433.625	4.332	40	10		IICBHN
CCN(CC)CCOC(=O)c1ccc(NN=C2Sc3nc4ccccc4n3C2=O)cc1	ZINC000104241679	557323286	/nfs/dbraw/zinc/32/32/86/557323286.db2.gz	FDOCEPSCTAMALS-ZFZZVZNFSA-N	0	3	437.525	4.391	40	10		IICBHN
Cc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3ccc(N(C)C)cc3)[C@@H]2C1=O	ZINC000011907950	569303238	/nfs/dbraw/zinc/30/32/38/569303238.db2.gz	MTHKDCZYNZGXGA-HJOGWXRNSA-N	0	3	427.504	4.112	40	10		IICBHN