smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1cc([C@@H]2CCC[N@@H+](Cc3ccc(N4CCCC4)c(F)c3)C2)nc(-c2ccncc2)[nH]1	ZINC000072392967	556964392	/nfs/dbraw/zinc/96/43/92/556964392.db2.gz	DRZCDSWEPSHKGF-HXUWFJFHSA-N	1	0	433.531	3.951	40	10		IHCBRO
COc1ccc(N2CCN(C(=O)C3CC[NH+](Cc4ccc(Cl)cc4)CC3)CC2)cc1	ZINC000039761929	556436728	/nfs/dbraw/zinc/43/67/28/556436728.db2.gz	VXISASIGNKZVKK-UHFFFAOYSA-N	1	0	427.976	3.909	40	10		IHCBRO
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)c(C)n1-c1ccc(O)cc1	ZINC000223269548	557453844	/nfs/dbraw/zinc/45/38/44/557453844.db2.gz	YZQPFCBHLUQXDZ-GOTSBHOMSA-N	1	0	435.597	3.729	40	10		IHCBRO
Cc1cc(C[N@H+](Cc2ccc3c(c2)OCO3)C[C@@H](C)O)c(C)n1-c1ccc2c(c1)OCO2	ZINC000013991893	568905268	/nfs/dbraw/zinc/90/52/68/568905268.db2.gz	NDMKQFWKGWBWSS-QGZVFWFLSA-N	1	0	436.508	3.935	40	10		IHCBRO
COc1ccc([C@]2(O)C[N+](c3ccc(Br)cc3)=C3SCCCN32)c(F)c1	ZINC000022404311	525447040	/nfs/dbraw/zinc/44/70/40/525447040.db2.gz	DSXZNKOQYDOHFP-LJQANCHMSA-N	1	0	438.342	3.768	40	10		IHCBRO
CCN(CC)c1ccc(C[N@@H+]2CCc3c(=O)[nH]c(N4CCC(C)CC4)nc3C2)c(O)c1	ZINC000072347188	556918320	/nfs/dbraw/zinc/91/83/20/556918320.db2.gz	DOOIACHGJBGUST-UHFFFAOYSA-N	1	0	425.577	3.529	40	10		IHCBRO
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)c(C)n1-c1ccc(O)cc1	ZINC000223269387	557453816	/nfs/dbraw/zinc/45/38/16/557453816.db2.gz	YZQPFCBHLUQXDZ-DHIUTWEWSA-N	1	0	435.597	3.729	40	10		IHCBRO
COc1ccc(-c2cc(C(=O)NC[C@@H](c3ccc(N(C)C)cc3)[NH+]3CCCC3)[nH]n2)cc1	ZINC000223809806	557516241	/nfs/dbraw/zinc/51/62/41/557516241.db2.gz	OPFRVEFZUQVEKQ-DEOSSOPVSA-N	1	0	433.556	3.718	40	10		IHCBRO
COc1ccc(N2CCN(C(=O)[C@H]3CCC[N@H+](Cc4ccc(Cl)cc4)C3)CC2)cc1	ZINC000028220949	556446304	/nfs/dbraw/zinc/44/63/04/556446304.db2.gz	FXKAXPMKBMEQHU-FQEVSTJZSA-N	1	0	427.976	3.909	40	10		IHCBRO
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)c(C)n1-c1ccccc1O	ZINC000223269193	557453821	/nfs/dbraw/zinc/45/38/21/557453821.db2.gz	MRTOGLLLXUFCMU-PKTZIBPZSA-N	1	0	435.597	3.729	40	10		IHCBRO
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)c(C)n1-c1cc(C)ccn1	ZINC000223275446	557454789	/nfs/dbraw/zinc/45/47/89/557454789.db2.gz	FXJNIVPKKKKRMN-XZOQPEGZSA-N	1	0	434.613	3.727	40	10		IHCBRO
Cc1nc([C@H]2CCC[N@H+](Cc3ccc(N4CCCCC4)cc3F)C2)ncc1C(=O)N(C)C	ZINC000019763654	569238105	/nfs/dbraw/zinc/23/81/05/569238105.db2.gz	KTIQHBQPONKLDN-FQEVSTJZSA-N	1	0	439.579	3.996	40	10		IHCBRO
CC(C)c1ccc(NC(=O)O[C@@H]2CO[C@@H]3[C@@H]([NH2+]Cc4ccc(N(C)C)cc4)CO[C@H]23)cc1	ZINC000003841826	291365777	/nfs/dbraw/zinc/36/57/77/291365777.db2.gz	WKEYOIFMHKEGNJ-OLKYXYMISA-N	1	0	439.556	3.749	40	10	biogenic,in-vitro	IHCBRO
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+](C)C)c(C)n1-c1ccccn1	ZINC000223216120	193953170	/nfs/dbraw/zinc/95/31/70/193953170.db2.gz	HEJXPIUCXXKROS-GOTSBHOMSA-N	1	0	434.613	3.808	40	10		IHCBRO
COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)OCC[NH+](C)C)C2=O)cc1	ZINC000011565504	556341940	/nfs/dbraw/zinc/34/19/40/556341940.db2.gz	NACUGZOIEZJPIY-SDXDJHTJSA-N	1	0	436.599	3.562	40	10		IHCBRO
O=c1cc([C@H]2CCC[N@@H+](Cc3ccc(N4CCCC4)c(F)c3)C2)nc(-c2cccnc2)[nH]1	ZINC000072393125	556964240	/nfs/dbraw/zinc/96/42/40/556964240.db2.gz	QGQSBHNRDWZORF-FQEVSTJZSA-N	1	0	433.531	3.951	40	10		IHCBRO
Cc1cc(OCC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)cc(C)c1Br	ZINC000216950540	557165390	/nfs/dbraw/zinc/16/53/90/557165390.db2.gz	NQRVBNYZZZGOMH-UHFFFAOYSA-N	1	0	446.389	3.513	40	10		IHCBRO
C[NH+]1CCN(c2ccc(CNC(=O)CCCN3c4cccc5cccc(c45)C3=O)cc2)CC1	ZINC000219475766	557252659	/nfs/dbraw/zinc/25/26/59/557252659.db2.gz	PKJQKMWQVYCHER-UHFFFAOYSA-N	1	0	442.563	3.648	40	10		IHCBRO
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)c(C)n1-c1ccccc1O	ZINC000223269304	557453865	/nfs/dbraw/zinc/45/38/65/557453865.db2.gz	MRTOGLLLXUFCMU-GOTSBHOMSA-N	1	0	435.597	3.729	40	10		IHCBRO
C[NH+]1CCN(c2ccc(CNC(=S)Nc3ccc(Br)cc3F)cc2)CC1	ZINC000225776716	557776373	/nfs/dbraw/zinc/77/63/73/557776373.db2.gz	YDXLYTNVIOLVRF-UHFFFAOYSA-N	1	0	437.382	3.827	40	10		IHCBRO
COc1ccc(N2CCN(C(=O)C3CC[NH+](Cc4cccc(Cl)c4)CC3)CC2)cc1	ZINC000039768208	556437389	/nfs/dbraw/zinc/43/73/89/556437389.db2.gz	QGKCCGMHYDZWNJ-UHFFFAOYSA-N	1	0	427.976	3.909	40	10		IHCBRO
O=C(NCc1ccc(N2CCOCC2)cc1)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1	ZINC000044910784	556680582	/nfs/dbraw/zinc/68/05/82/556680582.db2.gz	RFDUEBWUEJCPFG-NRFANRHFSA-N	1	0	427.976	3.705	40	10		IHCBRO
O=C(NCc1ccc(N2CCOCC2)cc1)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1	ZINC000044910787	556680693	/nfs/dbraw/zinc/68/06/93/556680693.db2.gz	RFDUEBWUEJCPFG-OAQYLSRUSA-N	1	0	427.976	3.705	40	10		IHCBRO
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)c(C)n1-c1ncccc1C	ZINC000223275695	557454719	/nfs/dbraw/zinc/45/47/19/557454719.db2.gz	KGILIBPZUSOXDG-FCHUYYIVSA-N	1	0	434.613	3.727	40	10		IHCBRO
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)c(C)n1-c1ccc(C)cn1	ZINC000223275997	557454733	/nfs/dbraw/zinc/45/47/33/557454733.db2.gz	CROBBQGPKBXCIH-GOTSBHOMSA-N	1	0	434.613	3.727	40	10		IHCBRO
Cc1cc(NC(=S)NCc2ccc(N3CC[NH+](C)CC3)cc2)ccc1Br	ZINC000225776293	557776302	/nfs/dbraw/zinc/77/63/02/557776302.db2.gz	SECPFYZPEYUNEJ-UHFFFAOYSA-N	1	0	433.419	3.996	40	10		IHCBRO
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)c(C)n1-c1ncccc1C	ZINC000223275751	557454726	/nfs/dbraw/zinc/45/47/26/557454726.db2.gz	KGILIBPZUSOXDG-VXKWHMMOSA-N	1	0	434.613	3.727	40	10		IHCBRO
COc1ccc(-c2cc(C(=O)NC[C@H](c3ccc(N(C)C)cc3)[NH+]3CCCC3)[nH]n2)cc1	ZINC000223809794	557516181	/nfs/dbraw/zinc/51/61/81/557516181.db2.gz	OPFRVEFZUQVEKQ-XMMPIXPASA-N	1	0	433.556	3.718	40	10		IHCBRO
COc1cccc(-c2ccc3c(c2)O[C@H]2C[N@H+](Cc4ccccc4O)C[C@H]2N(C)C3=O)c1	ZINC000514290276	556626523	/nfs/dbraw/zinc/62/65/23/556626523.db2.gz	WZZHFPNXPJLZJT-RDGATRHJSA-N	1	0	430.504	3.785	40	10	biogenic,in-vitro	IHCBRO
COc1ccc(-n2c(C)ccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)cc1	ZINC000223290299	557456186	/nfs/dbraw/zinc/45/61/86/557456186.db2.gz	CIKBXSKVEHNSHA-GOTSBHOMSA-N	1	0	435.597	3.723	40	10		IHCBRO
COc1ccc(-n2c(C)ccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)cc1	ZINC000223290157	193963486	/nfs/dbraw/zinc/96/34/86/193963486.db2.gz	CIKBXSKVEHNSHA-DHIUTWEWSA-N	1	0	435.597	3.723	40	10		IHCBRO
COc1ccc(N2CCC[N@H+](CC3CCN(C(=O)c4sc(C)nc4C)CC3)CC2)cc1	ZINC000072338551	524406908	/nfs/dbraw/zinc/40/69/08/524406908.db2.gz	HIDGDTYSLONBMN-UHFFFAOYSA-N	1	0	442.629	3.833	40	10		IHCBRO
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)c(C)n1-c1ccccc1O	ZINC000223269246	557453856	/nfs/dbraw/zinc/45/38/56/557453856.db2.gz	MRTOGLLLXUFCMU-XZOQPEGZSA-N	1	0	435.597	3.729	40	10		IHCBRO
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)c(C)n1-c1ncccc1C	ZINC000223275634	557454693	/nfs/dbraw/zinc/45/46/93/557454693.db2.gz	KGILIBPZUSOXDG-YADHBBJMSA-N	1	0	434.613	3.727	40	10		IHCBRO
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)c(C)n1-c1cc(C)ccn1	ZINC000223275507	557454819	/nfs/dbraw/zinc/45/48/19/557454819.db2.gz	FXJNIVPKKKKRMN-GOTSBHOMSA-N	1	0	434.613	3.727	40	10		IHCBRO
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+](C)C)c(C)n1-c1ccccn1	ZINC000223216064	193953288	/nfs/dbraw/zinc/95/32/88/193953288.db2.gz	HEJXPIUCXXKROS-XZOQPEGZSA-N	1	0	434.613	3.808	40	10		IHCBRO
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)c(C)n1-c1cc(C)ccn1	ZINC000223275325	557454794	/nfs/dbraw/zinc/45/47/94/557454794.db2.gz	FXJNIVPKKKKRMN-DHIUTWEWSA-N	1	0	434.613	3.727	40	10		IHCBRO
C[NH+]1CCN(c2ccc(CNC(=O)CSCc3ccc(Br)cc3)cc2)CC1	ZINC000216931683	557162496	/nfs/dbraw/zinc/16/24/96/557162496.db2.gz	SJCIIMYTEOVQPM-UHFFFAOYSA-N	1	0	448.430	3.751	40	10		IHCBRO
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)c(C)n1-c1ccccc1O	ZINC000223269135	193960475	/nfs/dbraw/zinc/96/04/75/193960475.db2.gz	MRTOGLLLXUFCMU-DHIUTWEWSA-N	1	0	435.597	3.729	40	10		IHCBRO
CC(NCCSCc1[nH]cnc1C)=C1C(C)=NN(c2nc3ccccc3s2)C1=O	ZINC000009059951	556243655	/nfs/dbraw/zinc/24/36/55/556243655.db2.gz	YCPSMUJBHAMYGV-QGOAFFKASA-N	1	0	426.571	3.847	40	10		IHCBRO
CN(C)c1ccc(C[NH+]2CCC3(CC2)CN(C)C(=O)c2cn(Cc4ccccc4)nc23)cc1	ZINC000306127162	568764719	/nfs/dbraw/zinc/76/47/19/568764719.db2.gz	FQDDXYMTJCSNMK-UHFFFAOYSA-N	1	0	443.595	3.617	40	10		IHCBRO
Cc1nc([C@@H]2CCC[N@H+](Cc3ccc(N4CCCCC4)cc3F)C2)ncc1C(=O)N(C)C	ZINC000019763652	569238088	/nfs/dbraw/zinc/23/80/88/569238088.db2.gz	KTIQHBQPONKLDN-HXUWFJFHSA-N	1	0	439.579	3.996	40	10		IHCBRO
O=c1cc([C@H]2CCC[N@@H+](Cc3ccc(N4CCCC4)c(F)c3)C2)nc(-c2ccncc2)[nH]1	ZINC000072392966	556964508	/nfs/dbraw/zinc/96/45/08/556964508.db2.gz	DRZCDSWEPSHKGF-FQEVSTJZSA-N	1	0	433.531	3.951	40	10		IHCBRO
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)c(C)n1-c1ccc(C)cn1	ZINC000223275952	557454765	/nfs/dbraw/zinc/45/47/65/557454765.db2.gz	CROBBQGPKBXCIH-XZOQPEGZSA-N	1	0	434.613	3.727	40	10		IHCBRO
O=C1N[C@H](c2ccc(N3CC[NH+](Cc4ccccc4)CC3)c([N+](=O)[O-])c2)Nc2ccccc21	ZINC000059488536	557825716	/nfs/dbraw/zinc/82/57/16/557825716.db2.gz	TYSNRXXDCBCLNV-XMMPIXPASA-N	1	0	443.507	3.771	40	10		IHCBRO
Cc1cc(C[N@H+](Cc2ccc3c(c2)OCO3)C[C@H](C)O)c(C)n1-c1ccc2c(c1)OCO2	ZINC000013991896	568905069	/nfs/dbraw/zinc/90/50/69/568905069.db2.gz	NDMKQFWKGWBWSS-KRWDZBQOSA-N	1	0	436.508	3.935	40	10		IHCBRO
CC[NH+](CC)CCC(=O)Nc1cccc2c1C(=O)c1c(O)c3ccccc3c(O)c1C2=O	ZINC000005105415	556032430	/nfs/dbraw/zinc/03/24/30/556032430.db2.gz	YOPFLUOUFDGFGF-UHFFFAOYSA-N	1	0	432.476	3.697	40	10		IHCBRO
CCOc1ncc(C2(O)CC[NH+](Cc3ccc(N4CCCC4)c(C)c3)CC2)c(OCC)n1	ZINC000019531721	556792357	/nfs/dbraw/zinc/79/23/57/556792357.db2.gz	VBWAJZNKASBWEQ-UHFFFAOYSA-N	1	0	440.588	3.666	40	10		IHCBRO
COc1ccc(C[N@@H+](Cc2ccc(N3CCOCC3)cc2)C[C@H]2CCCO2)cc1OC	ZINC000013994140	132355775	/nfs/dbraw/zinc/35/57/75/132355775.db2.gz	KGTZTTXYLNMEHF-HSZRJFAPSA-N	1	0	426.557	3.722	40	10		IHCBRO
CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3cc[nH+]cc3)c2C)C1=O	ZINC000409246857	557028508	/nfs/dbraw/zinc/02/85/08/557028508.db2.gz	FJEBXNZBCCFETL-HYARGMPZSA-N	1	0	443.507	3.583	40	10		IHCBRO
COc1ccc(-n2c(C)ccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)cc1	ZINC000223290203	557456236	/nfs/dbraw/zinc/45/62/36/557456236.db2.gz	CIKBXSKVEHNSHA-PKTZIBPZSA-N	1	0	435.597	3.723	40	10		IHCBRO
COc1ccc(C[N@@H+](Cc2ccc(N3CCOCC3)cc2)C[C@@H]2CCCO2)cc1OC	ZINC000013994137	132355825	/nfs/dbraw/zinc/35/58/25/132355825.db2.gz	KGTZTTXYLNMEHF-QHCPKHFHSA-N	1	0	426.557	3.722	40	10		IHCBRO
COc1ccc([C@@]2(O)C[N+](c3ccc(Br)cc3)=C3SCCCN32)c(F)c1	ZINC000022404309	525285845	/nfs/dbraw/zinc/28/58/45/525285845.db2.gz	DSXZNKOQYDOHFP-IBGZPJMESA-N	1	0	438.342	3.768	40	10		IHCBRO
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)c(C)n1-c1ccc(C)cn1	ZINC000223275897	557454771	/nfs/dbraw/zinc/45/47/71/557454771.db2.gz	CROBBQGPKBXCIH-PKTZIBPZSA-N	1	0	434.613	3.727	40	10		IHCBRO
COc1ccc(N2CC[NH+](C[C@H](O)COc3ccc(OC)cc3C(C)(C)C)CC2)cc1	ZINC000033541676	556565615	/nfs/dbraw/zinc/56/56/15/556565615.db2.gz	KNWFGOVAOQCELR-FQEVSTJZSA-N	1	0	428.573	3.563	40	10		IHCBRO
CN(C)c1ccc([C@H](c2nnnn2C2CCCCC2)N2CC[NH+](C3CCCC3)CC2)cc1	ZINC000020121640	557515507	/nfs/dbraw/zinc/51/55/07/557515507.db2.gz	IHNHRTDFXSVZMZ-XMMPIXPASA-N	1	0	437.636	3.894	40	10		IHCBRO
CCOC(=O)c1ccc(NC(=S)NCc2ccc(N3CC[NH+](C)CC3)cc2)cc1Cl	ZINC000225777045	557776307	/nfs/dbraw/zinc/77/63/07/557776307.db2.gz	NRVAHRLZYRDZSL-UHFFFAOYSA-N	1	0	447.004	3.755	40	10		IHCBRO
COc1ccc(N2CCC[N@H+](CC3CCN(C(=O)c4cc(C5CC5)on4)CC3)CC2)cc1	ZINC000072338563	524406612	/nfs/dbraw/zinc/40/66/12/524406612.db2.gz	LSZJFYAHFAREDV-UHFFFAOYSA-N	1	0	438.572	3.625	40	10		IHCBRO
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+](C)C)c(C)n1-c1ccccn1	ZINC000223216002	557447009	/nfs/dbraw/zinc/44/70/09/557447009.db2.gz	HEJXPIUCXXKROS-PKTZIBPZSA-N	1	0	434.613	3.808	40	10		IHCBRO
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)c(C)n1-c1cc(C)ccn1	ZINC000223275386	557454706	/nfs/dbraw/zinc/45/47/06/557454706.db2.gz	FXJNIVPKKKKRMN-PKTZIBPZSA-N	1	0	434.613	3.727	40	10		IHCBRO
CCOC(=O)c1cc(NC(=S)NCc2ccc(N3CC[NH+](C)CC3)cc2)ccc1Cl	ZINC000225777019	557776252	/nfs/dbraw/zinc/77/62/52/557776252.db2.gz	COPAATAJBWFHLI-UHFFFAOYSA-N	1	0	447.004	3.755	40	10		IHCBRO
Cc1nc2cc([C@H]3CCC[N@@H+]3Cc3ccccc3O)nn2c(C)c1CCC(=O)N1CCCC1	ZINC000257270425	568697709	/nfs/dbraw/zinc/69/77/09/568697709.db2.gz	MUDYRNKPEGFXRY-HSZRJFAPSA-N	1	0	447.583	3.944	40	10		IHCBRO
COc1ccc(N2CCN(C(=O)[C@@H]3CCC[N@H+](Cc4ccc(Cl)cc4)C3)CC2)cc1	ZINC000028220944	556446272	/nfs/dbraw/zinc/44/62/72/556446272.db2.gz	FXKAXPMKBMEQHU-HXUWFJFHSA-N	1	0	427.976	3.909	40	10		IHCBRO
COc1cc(C[N@@H+]2C[C@@H](c3ccccn3)[C@]3(C2)CCCCC(=O)N3)ccc1N1CCCC1	ZINC000019549992	556794977	/nfs/dbraw/zinc/79/49/77/556794977.db2.gz	QBFMZIXUILJHMI-HFZDXXHNSA-N	1	0	434.584	3.719	40	10		IHCBRO
CN(C)c1cc(CN(C)Cc2ccc(N3CCCCC3)cc2F)nc(C2CC[NH2+]CC2)n1	ZINC000019710129	556871922	/nfs/dbraw/zinc/87/19/22/556871922.db2.gz	BWSHXGWGOXOXHL-UHFFFAOYSA-N	1	0	440.611	3.771	40	10		IHCBRO
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+](C)C)c(C)n1-c1ccccn1	ZINC000223215944	557446965	/nfs/dbraw/zinc/44/69/65/557446965.db2.gz	HEJXPIUCXXKROS-DHIUTWEWSA-N	1	0	434.613	3.808	40	10		IHCBRO
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)c(C)n1-c1ccc(O)cc1	ZINC000223269492	557453849	/nfs/dbraw/zinc/45/38/49/557453849.db2.gz	YZQPFCBHLUQXDZ-XZOQPEGZSA-N	1	0	435.597	3.729	40	10		IHCBRO
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)c(C)n1-c1ncccc1C	ZINC000223275581	557454782	/nfs/dbraw/zinc/45/47/82/557454782.db2.gz	KGILIBPZUSOXDG-FGZHOGPDSA-N	1	0	434.613	3.727	40	10		IHCBRO
Cc1nc2cc([C@@H]3CCC[N@@H+]3Cc3ccccc3O)nn2c(C)c1CCC(=O)N1CCCC1	ZINC000257270426	568697667	/nfs/dbraw/zinc/69/76/67/568697667.db2.gz	MUDYRNKPEGFXRY-QHCPKHFHSA-N	1	0	447.583	3.944	40	10		IHCBRO
COc1ccc(N2CCN(C(=O)[C@H]3CCC[N@H+](Cc4ccccc4Cl)C3)CC2)cc1	ZINC000038851120	556624702	/nfs/dbraw/zinc/62/47/02/556624702.db2.gz	QYOGIMZRKKAWKV-FQEVSTJZSA-N	1	0	427.976	3.909	40	10		IHCBRO
COc1ccc(-n2c(C)ccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)cc1	ZINC000223290251	557456296	/nfs/dbraw/zinc/45/62/96/557456296.db2.gz	CIKBXSKVEHNSHA-XZOQPEGZSA-N	1	0	435.597	3.723	40	10		IHCBRO
CN(C)c1ccc([C@@H](c2nnnn2C2CCCCC2)N2CC[NH+](C3CCCC3)CC2)cc1	ZINC000020121642	557515463	/nfs/dbraw/zinc/51/54/63/557515463.db2.gz	IHNHRTDFXSVZMZ-DEOSSOPVSA-N	1	0	437.636	3.894	40	10		IHCBRO
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)c(C)n1-c1ccc(C)cn1	ZINC000223275844	557454803	/nfs/dbraw/zinc/45/48/03/557454803.db2.gz	CROBBQGPKBXCIH-DHIUTWEWSA-N	1	0	434.613	3.727	40	10		IHCBRO
COc1ccc(N2CC[NH+](C[C@@H](O)COc3ccc(OC)cc3C(C)(C)C)CC2)cc1	ZINC000033541675	556565618	/nfs/dbraw/zinc/56/56/18/556565618.db2.gz	KNWFGOVAOQCELR-HXUWFJFHSA-N	1	0	428.573	3.563	40	10		IHCBRO
COc1ccc(N2CCN(C(=O)[C@@H]3CCC[N@H+](Cc4ccccc4Cl)C3)CC2)cc1	ZINC000038851117	556624726	/nfs/dbraw/zinc/62/47/26/556624726.db2.gz	QYOGIMZRKKAWKV-HXUWFJFHSA-N	1	0	427.976	3.909	40	10		IHCBRO
O=C1N[C@@H](c2ccc(N3CC[NH+](Cc4ccccc4)CC3)c([N+](=O)[O-])c2)Nc2ccccc21	ZINC000059488537	557825707	/nfs/dbraw/zinc/82/57/07/557825707.db2.gz	TYSNRXXDCBCLNV-DEOSSOPVSA-N	1	0	443.507	3.771	40	10		IHCBRO
Oc1ccccc1C[NH+]1CCC(O)(c2csc(CN3CCc4ccccc4C3)n2)CC1	ZINC000225473989	291377203	/nfs/dbraw/zinc/37/72/03/291377203.db2.gz	JUUXQJGOUQUPSR-UHFFFAOYSA-N	1	0	435.593	3.891	40	10	biogenic,in-vitro	IHCBRO
O=c1cc([C@@H]2CCC[N@@H+](Cc3ccc(N4CCCC4)c(F)c3)C2)nc(-c2cccnc2)[nH]1	ZINC000072393124	556964327	/nfs/dbraw/zinc/96/43/27/556964327.db2.gz	QGQSBHNRDWZORF-HXUWFJFHSA-N	1	0	433.531	3.951	40	10		IHCBRO
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)c(C)n1-c1ccc(O)cc1	ZINC000223269440	557453890	/nfs/dbraw/zinc/45/38/90/557453890.db2.gz	YZQPFCBHLUQXDZ-PKTZIBPZSA-N	1	0	435.597	3.729	40	10		IHCBRO