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)[N@@H+]1CCO[C@H](CN2CCN(C(=O)N[C@@H]3CC[C@@H](C[NH3+])C3)CC2)C1	ZINC000333730951	215313212	/nfs/dbraw/zinc/31/32/12/215313212.db2.gz	WBYJRKABSKVZTB-KZNAEPCWSA-N	2	0	367.538	0.550	40	0		FCABRP
COc1ccc2[nH+]c(NCC[NH2+]CCO)cc(NCC[NH2+]CCO)c2c1	ZINC000005552028	204214575	/nfs/dbraw/zinc/21/45/75/204214575.db2.gz	IFLOLIBEFZIMKW-UHFFFAOYSA-N	3	0	363.462	0.231	40	0		FCABRP
C[NH2+]CC(=O)N1CCC[C@@](O)(C[NH+]2CCN(c3ccccc3)CC2)CC1	ZINC000257278402	132296440	/nfs/dbraw/zinc/29/64/40/132296440.db2.gz	OCCOMXQMVCBLNY-FQEVSTJZSA-N	2	0	360.502	0.772	40	0		FCABRP
CC(=O)NCC(=O)N1CCC[C@@H]1c1cc(N2CC[NH+](C)CC2)cc(C)[nH+]1	ZINC000019698292	487605175	/nfs/dbraw/zinc/60/51/75/487605175.db2.gz	YEPIYWOBIUBFBJ-GOSISDBHSA-N	2	0	359.474	0.941	40	0		FCABRP
C[N@H+](Cc1ccccc1)[C@@H]1[C@@H](CNC2CC[NH+](C)CC2)O[C@@H](CO)[C@H]1O	ZINC000020465961	523352645	/nfs/dbraw/zinc/35/26/45/523352645.db2.gz	QELMXXPVXVTWOH-IYWMVGAKSA-N	2	0	363.502	0.291	40	0	biogenic,in-vitro	FCABRP
O=C([C@@H]1CC2CC[NH+]1CC2)N1CCN(C(=O)[C@@H]2CC3CC[NH+]2CC3)CC1	ZINC000001610888	204013598	/nfs/dbraw/zinc/01/35/98/204013598.db2.gz	LMFLIIISBCCELP-ROUUACIJSA-N	2	0	360.502	0.626	40	0		FCABRP
CC[NH+](CC)C[C@@H]1OC[C@H]([NH2+]Cc2ccc(S(C)(=O)=O)cc2)[C@H]1O	ZINC000514289708	263776174	/nfs/dbraw/zinc/77/61/74/263776174.db2.gz	YYVLHNCEVBMURF-YESZJQIVSA-N	2	0	356.488	0.650	40	0	biogenic,in-vitro	FCABRP
CC(=O)NCC(=O)N1CCC[C@H]1c1cc(N2CC[NH+](C)CC2)cc(C)[nH+]1	ZINC000019698291	487605139	/nfs/dbraw/zinc/60/51/39/487605139.db2.gz	YEPIYWOBIUBFBJ-SFHVURJKSA-N	2	0	359.474	0.941	40	0		FCABRP
C[N@H+](Cc1cccc(OCC[NH+]2CCCC2)c1)[C@@H]1COC[C@@H](O)[C@H]1O	ZINC000585292127	491721610	/nfs/dbraw/zinc/72/16/10/491721610.db2.gz	YOKZFLVBNDELPF-QRVBRYPASA-N	2	0	350.459	0.714	40	0		FCABRP
C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCc2nc([C@H]3CCC[NH2+]C3)ncc2C1	ZINC000019456276	487603691	/nfs/dbraw/zinc/60/36/91/487603691.db2.gz	GBRTUDAWLIAJFG-HOTGVXAUSA-N	2	0	373.501	0.797	40	0		FCABRP
C[N@H+](CC1CC[NH+](Cc2ccc(F)cn2)CC1)[C@@H]1COC[C@@H](O)[C@H]1O	ZINC000585290460	491721835	/nfs/dbraw/zinc/72/18/35/491721835.db2.gz	DOBNEMXRZSOMGN-KURKYZTESA-N	2	0	353.438	0.485	40	0		FCABRP
CN(CC[NH+](C)C)[C@H]1[C@@H](C[NH2+]Cc2cccc(Cl)c2)O[C@@H](CO)[C@H]1O	ZINC000020464994	521748387	/nfs/dbraw/zinc/74/83/87/521748387.db2.gz	JTVQSZODHVHVED-VSZNYVQBSA-N	2	0	371.909	0.412	40	0	biogenic,in-vitro	FCABRP
C[NH+](C)CCN(C(=O)Cc1n[nH]c(=O)c2ccccc12)C1CC[NH+](C)CC1	ZINC000012360970	204454077	/nfs/dbraw/zinc/45/40/77/204454077.db2.gz	BUUBLPOBIKZZRR-UHFFFAOYSA-N	2	0	371.485	0.950	40	0		FCABRP
C[NH+](C)CCNC(=O)c1nnc2n1C[C@@H]1C[N@@H+](Cc3ccsc3)C[C@H]1C2	ZINC000306138967	488894206	/nfs/dbraw/zinc/89/42/06/488894206.db2.gz	SLYHQMJZOCCKOW-CABCVRRESA-N	2	0	374.514	0.935	40	0		FCABRP
C[NH+](C)CCNC(=O)c1nnc2n1C[C@@H]1C[N@@H+](Cc3ccco3)C[C@@H]1C2	ZINC000306137232	488894572	/nfs/dbraw/zinc/89/45/72/488894572.db2.gz	QPZBFYVWHRSNHM-KBPBESRZSA-N	2	0	358.446	0.467	40	0		FCABRP
C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCc2nc([C@@H]3CCC[NH2+]C3)ncc2C1	ZINC000019456272	487604379	/nfs/dbraw/zinc/60/43/79/487604379.db2.gz	GBRTUDAWLIAJFG-JKSUJKDBSA-N	2	0	373.501	0.797	40	0		FCABRP
C[NH+](C)CCNC(=O)[C@@]1(Cc2cc([C@@H]3CCOC3)no2)CCC[NH2+]C1	ZINC000019582865	487604916	/nfs/dbraw/zinc/60/49/16/487604916.db2.gz	XUNQVHGZOVZDFI-RDTXWAMCSA-N	2	0	350.463	0.769	40	0		FCABRP
Cn1cc(C(=O)NC2CC[NH+](C)CC2)c(C(=O)NC2CC[NH+](C)CC2)n1	ZINC000036617958	487801659	/nfs/dbraw/zinc/80/16/59/487801659.db2.gz	DIYFGEGGPYEMKW-UHFFFAOYSA-N	2	0	362.478	0.068	40	0		FCABRP
[NH3+]CC(=O)NC[C@]1(c2ccccc2)CC[C@H](O)[C@@H]([NH+]2CCOCC2)CC1	ZINC000257323718	488525878	/nfs/dbraw/zinc/52/58/78/488525878.db2.gz	WLOTXUUYYIPMCV-CMKODMSKSA-N	2	0	361.486	0.635	40	0		FCABRP
CC(=O)N[C@@H]1C[C@@H](O)C[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)C[C@H]1O	ZINC000585274675	491720674	/nfs/dbraw/zinc/72/06/74/491720674.db2.gz	ZHPWOHXZEQQWTP-BHIYHBOVSA-N	2	0	365.474	0.059	40	0		FCABRP
C[C@H]([NH3+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)Nc1ccc2ccccc2c1	ZINC000002560933	204044387	/nfs/dbraw/zinc/04/43/87/204044387.db2.gz	OFVQHTSXPBDPOX-LRDDRELGSA-N	2	0	370.457	0.874	40	0		FCABRP
CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)N[C@H]3CC[C@@H](C[NH3+])C3)CC2)C1	ZINC000333730949	215313737	/nfs/dbraw/zinc/31/37/37/215313737.db2.gz	WBYJRKABSKVZTB-FGTMMUONSA-N	2	0	367.538	0.550	40	0		FCABRP
[NH3+][C@@H](Cc1ccccc1)C(=O)NCCNC(=O)[C@@H]([NH3+])Cc1ccccc1	ZINC000001616447	204015102	/nfs/dbraw/zinc/01/51/02/204015102.db2.gz	YWFZWSSERWXERI-ROUUACIJSA-N	2	0	354.454	0.359	40	0		FCABRP
COC(=O)[C@@H]1CN(C(=O)C2([NH3+])CCCC2)CC[N@@H+](C2CCOCC2)C1	ZINC000257335118	488526508	/nfs/dbraw/zinc/52/65/08/488526508.db2.gz	YISSFPDWPYEQKD-AWEZNQCLSA-N	2	0	353.463	0.370	40	0		FCABRP
C[NH2+]Cc1cn(C[C@H]2C[C@@H]3CC[N@@H+]2C[C@@H]3C(=O)NCc2cccnc2)nn1	ZINC000008254213	291029455	/nfs/dbraw/zinc/02/94/55/291029455.db2.gz	VYJRVEQVSRAPBX-JQHSSLGASA-N	2	0	369.473	0.419	40	0	biogenic,in-vitro	FCABRP
C1CC[NH2+]CCCNCCC[NH2+]CCCC[NH2+]CCCNCCC[NH2+]C1	ZINC000068604683	488368316	/nfs/dbraw/zinc/36/83/16/488368316.db2.gz	HNFYUOBSGIKFQA-UHFFFAOYSA-N	4	0	370.630	0.658	40	0		FCABRP
[NH3+]CCc1ccc(C(=O)N[C@@H]2CCCC[C@@H]([NH+]3CCOCC3)[C@@H]2O)cc1	ZINC000257201102	488523121	/nfs/dbraw/zinc/52/31/21/488523121.db2.gz	AGHGVZHRJHWQMR-GUDVDZBRSA-N	2	0	361.486	0.922	40	0		FCABRP
C[NH+](C)CCNC(=O)c1nnc2n1C[C@@H]1C[N@@H+](Cc3cccs3)C[C@@H]1C2	ZINC000306127961	488893795	/nfs/dbraw/zinc/89/37/95/488893795.db2.gz	GMELAXYYKPSLJB-KBPBESRZSA-N	2	0	374.514	0.935	40	0		FCABRP
CC(=O)NC1CC[NH+](C[C@@]2(O)CCCN(C(=O)C(C)(C)[NH3+])CC2)CC1	ZINC000257264555	488524892	/nfs/dbraw/zinc/52/48/92/488524892.db2.gz	LUZSOLPODQATHY-GOSISDBHSA-N	2	0	354.495	0.068	40	0		FCABRP
CC(=O)N1C[C@H](O)C[C@@H]([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)[C@H](O)C1	ZINC000585272153	491720786	/nfs/dbraw/zinc/72/07/86/491720786.db2.gz	JJMIGWGRRHXMRP-BHIYHBOVSA-N	2	0	365.474	0.059	40	0		FCABRP
CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)N[C@H]3CC[C@H](C[NH3+])C3)CC2)C1	ZINC000333730953	215314305	/nfs/dbraw/zinc/31/43/05/215314305.db2.gz	WBYJRKABSKVZTB-OKZBNKHCSA-N	2	0	367.538	0.550	40	0		FCABRP
COCCN1C(=O)[C@H]2C[N@H+](C)CCN2C12CC[NH+](Cc1ccncc1)CC2	ZINC001772595308	1180030989	/nfs/dbraw/zinc/03/09/89/1180030989.db2.gz	LLCSQSXHXBCMGX-GOSISDBHSA-N	2	0	373.501	0.478	40	0		FCABRP
O=C([C@H]1CC2CC[NH+]1CC2)N1CCN(C(=O)[C@H]2CC3CC[NH+]2CC3)CC1	ZINC000001610887	206889934	/nfs/dbraw/zinc/88/99/34/206889934.db2.gz	LMFLIIISBCCELP-QZTJIDSGSA-N	2	0	360.502	0.626	40	0		FCABRP
CC[NH+](CC)C[C@@H]1OC[C@@H]([NH2+]Cc2ccc(S(C)(=O)=O)cc2)[C@H]1O	ZINC000514289707	490768872	/nfs/dbraw/zinc/76/88/72/490768872.db2.gz	YYVLHNCEVBMURF-IXDOHACOSA-N	2	0	356.488	0.650	40	0	biogenic,in-vitro	FCABRP
COc1ccccc1N(CC[NH2+]CCCN1CCOCC1)S(C)(=O)=O	ZINC000011117781	207310251	/nfs/dbraw/zinc/31/02/51/207310251.db2.gz	ZFPDZIGCFZVXOL-UHFFFAOYSA-N	2	0	371.503	0.773	40	0		FCABRP
C[NH+](C)CCNC(=O)c1nnc2n1C[C@@H]1C[N@@H+](Cc3cccs3)C[C@H]1C2	ZINC000306127962	488893438	/nfs/dbraw/zinc/89/34/38/488893438.db2.gz	GMELAXYYKPSLJB-KGLIPLIRSA-N	2	0	374.514	0.935	40	0		FCABRP
COc1ccc(C[NH2+][C@@H]2[C@H]3CO[C@H](O3)[C@H](N(C)CC[NH+](C)C)[C@H]2O)cc1	ZINC000020463934	524087736	/nfs/dbraw/zinc/08/77/36/524087736.db2.gz	NHJDBJAJZSDISR-IEWDOMPSSA-N	2	0	365.474	0.131	40	0	biogenic,in-vitro	FCABRP
C[NH+](C)CCOc1ccc(C[N@@H+]2CC[C@@](O)(CN3CCOCC3)C2)cc1	ZINC000585274451	491720731	/nfs/dbraw/zinc/72/07/31/491720731.db2.gz	XCSKZPYWGAPITE-HXUWFJFHSA-N	2	0	363.502	0.896	40	0		FCABRP
COCCN1C(=O)[C@H]2C[N@H+](C)CCN2C12CC[NH+](Cc1cccnc1)CC2	ZINC001772595466	1180032172	/nfs/dbraw/zinc/03/21/72/1180032172.db2.gz	ZQBNPXDDJINDGN-GOSISDBHSA-N	2	0	373.501	0.478	40	0		FCABRP
C[NH+](C)CCNC(=O)c1nnc2n1C[C@H]1C[N@@H+](Cc3ccsc3)C[C@@H]1C2	ZINC000306138970	488894630	/nfs/dbraw/zinc/89/46/30/488894630.db2.gz	SLYHQMJZOCCKOW-LSDHHAIUSA-N	2	0	374.514	0.935	40	0		FCABRP
CC(=O)NC1CC[NH+](C[C@]2(O)CCCN(C(=O)C(C)(C)[NH3+])CC2)CC1	ZINC000257264556	488524796	/nfs/dbraw/zinc/52/47/96/488524796.db2.gz	LUZSOLPODQATHY-SFHVURJKSA-N	2	0	354.495	0.068	40	0		FCABRP
CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)N[C@@H]3CC[C@H](C[NH3+])C3)CC2)C1	ZINC000333730954	215313547	/nfs/dbraw/zinc/31/35/47/215313547.db2.gz	WBYJRKABSKVZTB-RCCFBDPRSA-N	2	0	367.538	0.550	40	0		FCABRP
C[NH2+]CC(=O)N1CCC[C@](O)(C[NH+]2CCN(c3ccccc3)CC2)CC1	ZINC000257278403	132296297	/nfs/dbraw/zinc/29/62/97/132296297.db2.gz	OCCOMXQMVCBLNY-HXUWFJFHSA-N	2	0	360.502	0.772	40	0		FCABRP
C[NH+](C)CCNC(=O)[C@]1(Cc2cc([C@@H]3CCOC3)no2)CCC[NH2+]C1	ZINC000019582868	487605050	/nfs/dbraw/zinc/60/50/50/487605050.db2.gz	XUNQVHGZOVZDFI-KDOFPFPSSA-N	2	0	350.463	0.769	40	0		FCABRP
C[NH+](C)CCNC(=O)C1(Cc2cc([C@H]3CCOC3)no2)CC[NH2+]CC1	ZINC000072394744	488379789	/nfs/dbraw/zinc/37/97/89/488379789.db2.gz	WLXGVWUIQNIXLN-AWEZNQCLSA-N	2	0	350.463	0.769	40	0		FCABRP
Cc1noc(C)c1C[NH+]1CCC(C[N@@H+](C)[C@@H]2COC[C@@H](O)[C@H]2O)CC1	ZINC000585292072	491721772	/nfs/dbraw/zinc/72/17/72/491721772.db2.gz	WRCXFQLXMVZYHZ-KURKYZTESA-N	2	0	353.463	0.556	40	0		FCABRP
C[NH+](C)CCNC(=O)c1nnc2n1C[C@@H]1C[N@@H+](Cc3ccsc3)C[C@@H]1C2	ZINC000306138968	210056489	/nfs/dbraw/zinc/05/64/89/210056489.db2.gz	SLYHQMJZOCCKOW-GJZGRUSLSA-N	2	0	374.514	0.935	40	0		FCABRP
C[NH+](C)CCN(CCCN(CC[NH+](C)C)CC[NH+](C)C)CC[NH+](C)C	ZINC000019361593	211217897	/nfs/dbraw/zinc/21/78/97/211217897.db2.gz	PKZGDTJLZZUXFK-UHFFFAOYSA-N	4	0	358.619	0.227	40	0		FCABRP
COCCN1C(=O)[C@H]2C[N@H+](C)CCN2C12CC[NH+](Cc1ccccn1)CC2	ZINC001772595442	1180032742	/nfs/dbraw/zinc/03/27/42/1180032742.db2.gz	XGCCVDLHPGEEFQ-GOSISDBHSA-N	2	0	373.501	0.478	40	0		FCABRP
C[NH+](C)CCNC(=O)[C@@]1(Cc2cc([C@H]3CCOC3)no2)CCC[NH2+]C1	ZINC000019582871	211239139	/nfs/dbraw/zinc/23/91/39/211239139.db2.gz	XUNQVHGZOVZDFI-KBXCAEBGSA-N	2	0	350.463	0.769	40	0		FCABRP
NC(=[NH2+])NCCC[C@H](NC(=O)C[NH3+])C(=O)Nc1ccc2ccccc2c1	ZINC000002561004	487470355	/nfs/dbraw/zinc/47/03/55/487470355.db2.gz	CINAWZLZLRIIIU-HNNXBMFYSA-N	2	0	356.430	0.485	40	0		FCABRP
C[N@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)[C@@H]1COC[C@@H](O)[C@H]1O	ZINC000585290839	491721795	/nfs/dbraw/zinc/72/17/95/491721795.db2.gz	HMZFMXDRPNIHFV-QRVBRYPASA-N	2	0	350.459	0.714	40	0		FCABRP
O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc2c(c1)CC[NH2+]CC2	ZINC000261695887	571336338	/nfs/dbraw/zinc/33/63/38/571336338.db2.gz	BEMKLPWQIVRQIZ-INIZCTEOSA-N	2	0	370.419	0.941	40	0		FCABRP
N=C(NC(N)=[NH2+])Nc1ccc(Cc2ccc(NC(=N)NC(N)=[NH2+])cc2)cc1	ZINC000008614397	487518944	/nfs/dbraw/zinc/51/89/44/487518944.db2.gz	KTKDIFBZNCZBBQ-UHFFFAOYSA-N	2	0	366.433	0.937	40	0		FCABRP
[NH3+][C@H](Cc1ccccc1)C(=O)NCCNC(=O)[C@H]([NH3+])Cc1ccccc1	ZINC000001616446	210362108	/nfs/dbraw/zinc/36/21/08/210362108.db2.gz	YWFZWSSERWXERI-QZTJIDSGSA-N	2	0	354.454	0.359	40	0		FCABRP
CN1CC[NH+]([C@H]2CC[C@](CNC(=O)C[NH3+])(c3ccccc3)CC[C@@H]2O)CC1	ZINC000257325732	529776305	/nfs/dbraw/zinc/77/63/05/529776305.db2.gz	WUENVSHFWWJZBS-ZJOUEHCJSA-N	2	0	374.529	0.550	40	0		FCABRP
O=S1(=O)CC[C@@H]([NH2+]CCCCCC[NH2+][C@H]2CCS(=O)(=O)C2)C1	ZINC000040177464	487814013	/nfs/dbraw/zinc/81/40/13/487814013.db2.gz	DZWDRTXQHGORCA-OKILXGFUSA-N	2	0	352.522	0.100	40	0		FCABRP
C[NH+](C)CCNC(=O)c1nnc2n1C[C@H]1C[N@@H+](Cc3ccsc3)C[C@H]1C2	ZINC000306138969	210055951	/nfs/dbraw/zinc/05/59/51/210055951.db2.gz	SLYHQMJZOCCKOW-HUUCEWRRSA-N	2	0	374.514	0.935	40	0		FCABRP
C[C@H](C[NH+]1CCOCC1)C(=O)N1CCc2nc([C@@H]3CCC[NH2+]C3)ncc2C1	ZINC000019456274	211224361	/nfs/dbraw/zinc/22/43/61/211224361.db2.gz	GBRTUDAWLIAJFG-HZPDHXFCSA-N	2	0	373.501	0.797	40	0		FCABRP
C1CCC[NH2+]CCNCC[NH2+]CCCCCC[NH2+]CCNCC[NH2+]CC1	ZINC000068604620	221316753	/nfs/dbraw/zinc/31/67/53/221316753.db2.gz	MLQXZROGWAZPIP-UHFFFAOYSA-N	4	0	370.630	0.658	40	0		FCABRP
[NH3+]CCCC[C@H]([NH3+])C(=O)N1C[C@H](O)[C@H](Cc2ccnc3cccnc23)C1	ZINC000257319658	534606722	/nfs/dbraw/zinc/60/67/22/534606722.db2.gz	VTMPDVSPHSAHJW-VYDXJSESSA-N	2	0	357.458	0.448	40	0		FCABRP
C[NH+](C)CCNC(=O)c1nnc2n1C[C@H]1C[N@@H+](Cc3cccs3)C[C@H]1C2	ZINC000306127964	223109128	/nfs/dbraw/zinc/10/91/28/223109128.db2.gz	GMELAXYYKPSLJB-ZIAGYGMSSA-N	2	0	374.514	0.935	40	0		FCABRP
C[NH+](C)CCNC(=O)[C@]1(Cc2cc([C@H]3CCOC3)no2)CCC[NH2+]C1	ZINC000019582874	220276829	/nfs/dbraw/zinc/27/68/29/220276829.db2.gz	XUNQVHGZOVZDFI-KSSFIOAISA-N	2	0	350.463	0.769	40	0		FCABRP
O=S1(=O)CC[C@@H]([NH2+]CCCCCC[NH2+][C@@H]2CCS(=O)(=O)C2)C1	ZINC000040177463	487813971	/nfs/dbraw/zinc/81/39/71/487813971.db2.gz	DZWDRTXQHGORCA-ZIAGYGMSSA-N	2	0	352.522	0.100	40	0		FCABRP
C[NH+](C)CCOc1ccc(C[N@@H+]2CC[C@](O)(CN3CCOCC3)C2)cc1	ZINC000585274450	491720878	/nfs/dbraw/zinc/72/08/78/491720878.db2.gz	XCSKZPYWGAPITE-FQEVSTJZSA-N	2	0	363.502	0.896	40	0		FCABRP
C[NH2+][C@H]1CC2(CCN(C(=O)c3ccc(CC[NH3+])cc3)CC2)OC[C@]1(C)O	ZINC000257327460	533011911	/nfs/dbraw/zinc/01/19/11/533011911.db2.gz	XBKZVDMWDBBPLB-HKUYNNGSSA-N	2	0	361.486	0.922	40	0		FCABRP
COC(=O)[C@H]1CN(C(=O)C2([NH3+])CCCC2)CC[N@@H+](C2CCOCC2)C1	ZINC000257335119	533465870	/nfs/dbraw/zinc/46/58/70/533465870.db2.gz	YISSFPDWPYEQKD-CQSZACIVSA-N	2	0	353.463	0.370	40	0		FCABRP
O=C([C@H]1CC2CC[NH+]1CC2)N1CCN(C(=O)[C@@H]2CC3CC[NH+]2CC3)CC1	ZINC000001610886	487470149	/nfs/dbraw/zinc/47/01/49/487470149.db2.gz	LMFLIIISBCCELP-HDICACEKSA-N	2	0	360.502	0.626	40	0		FCABRP
C[NH+](C)CCNC(=O)C1(Cc2cc([C@@H]3CCOC3)no2)CC[NH2+]CC1	ZINC000072394743	488379893	/nfs/dbraw/zinc/37/98/93/488379893.db2.gz	WLXGVWUIQNIXLN-CQSZACIVSA-N	2	0	350.463	0.769	40	0		FCABRP
C[NH+](C)CCNC(=O)c1nnc2n1C[C@H]1C[N@@H+](Cc3cccs3)C[C@@H]1C2	ZINC000306127963	223108156	/nfs/dbraw/zinc/10/81/56/223108156.db2.gz	GMELAXYYKPSLJB-UONOGXRCSA-N	2	0	374.514	0.935	40	0		FCABRP
O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc2c(c1)CC[NH2+]CC2	ZINC000261695891	571336371	/nfs/dbraw/zinc/33/63/71/571336371.db2.gz	BEMKLPWQIVRQIZ-MRXNPFEDSA-N	2	0	370.419	0.941	40	0		FCABRP
C[C@H](C[NH+]1CCOCC1)C(=O)N1CCc2nc([C@H]3CCC[NH2+]C3)ncc2C1	ZINC000019456278	220258217	/nfs/dbraw/zinc/25/82/17/220258217.db2.gz	GBRTUDAWLIAJFG-CVEARBPZSA-N	2	0	373.501	0.797	40	0		FCABRP
[NH3+]CCCC[C@H]([NH3+])C(=O)N1C[C@@H](O)[C@@H](Cc2ccnc3cccnc23)C1	ZINC000257319659	534607514	/nfs/dbraw/zinc/60/75/14/534607514.db2.gz	VTMPDVSPHSAHJW-YQQAZPJKSA-N	2	0	357.458	0.448	40	0		FCABRP
C[NH+](C)[C@H]1CC2(CC[NH+](Cc3c[nH]c(=O)[nH]c3=O)CC2)OC[C@]1(C)O	ZINC000257210587	223020182	/nfs/dbraw/zinc/02/01/82/223020182.db2.gz	BVGQBSRBZYMFJZ-BBRMVZONSA-N	2	0	352.435	0.324	40	0		FCABRP
[NH3+][C@H](Cc1ccccc1)C(=O)NCCNC(=O)[C@@H]([NH3+])Cc1ccccc1	ZINC000001616445	487470098	/nfs/dbraw/zinc/47/00/98/487470098.db2.gz	YWFZWSSERWXERI-HDICACEKSA-N	2	0	354.454	0.359	40	0		FCABRP
O=S1(=O)CC[C@H]([NH2+]CCCCCC[NH2+][C@H]2CCS(=O)(=O)C2)C1	ZINC000040177465	487813888	/nfs/dbraw/zinc/81/38/88/487813888.db2.gz	DZWDRTXQHGORCA-KBPBESRZSA-N	2	0	352.522	0.100	40	0		FCABRP