smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(CCCc1ccc(C(F)(F)F)cc1)c1nc(N2CC[NH2+]CC2)nc(NCCc2ccc(O)cc2)[nH+]1	ZINC000013492567	561716321	/nfs/dbraw/zinc/71/63/21/561716321.db2.gz	FFBYCHATVNLHSI-UHFFFAOYSA-N	2	1	515.584	3.729	1	0		KHAFMP
O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CC[NH+](C2CCCCC2)CC1)[C@H]1Cc2ccccc2C[NH2+]1	ZINC000013582302	561720189	/nfs/dbraw/zinc/72/01/89/561720189.db2.gz	YGHRPBJBMRFBDH-KAYWLYCHSA-N	2	1	509.094	3.559	1	0		KHAFMP
C[N@H+](Cc1ccc(S(C)(=O)=O)cc1)CC1CC[NH+](CCCc2c[nH]c3ccc(-n4cnnc4)cc23)CC1	ZINC000013802589	561730791	/nfs/dbraw/zinc/73/07/91/561730791.db2.gz	SRXFVJJCPAFDBE-UHFFFAOYSA-N	2	1	520.703	3.929	1	0		KHAFMP
Cc1cc(C)cc(C(=O)N2CCN(C(=O)C[NH2+]C3CC[NH2+]CC3)[C@H](c3ccc(Cl)c(Cl)c3)C2)c1	ZINC000013860401	561734623	/nfs/dbraw/zinc/73/46/23/561734623.db2.gz	MNUMOFSSNQUTGL-DEOSSOPVSA-N	2	1	503.474	3.978	1	0		KHAFMP
COc1ccc(CC(=O)NCC2([NH+]3CCN(C(=O)[C@@H](Cc4ccc(Cl)cc4Cl)NC(=O)CC[NH3+])CC3)CCCCC2)cc1	ZINC000014209910	561737765	/nfs/dbraw/zinc/73/77/65/561737765.db2.gz	SDXNKLFMLKIOBP-MUUNZHRXSA-N	2	1	632.633	3.584	1	0		KHAFMP
CN1CC[NH+](CCCNc2ncc3cc(-c4c(Cl)cccc4Cl)c(NC(=O)NCC[NH+](C)C)nc3n2)CC1	ZINC000023357760	561761551	/nfs/dbraw/zinc/76/15/51/561761551.db2.gz	APRGRQRTOONPMH-UHFFFAOYSA-N	2	1	560.534	3.731	1	0		KHAFMP
CC[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCC[NH3+])C(=O)NCCC1CCCCC1)c1ccc(CCCCn2cc[nH+]c2C)cc1	ZINC000026145105	561767060	/nfs/dbraw/zinc/76/70/60/561767060.db2.gz	FQLJQZSFHVLNCA-RTOKGZNSSA-N	2	1	624.871	3.886	1	0		KHAFMP
CC[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCC[NH3+])C(=O)NCCC1CCCCC1)c1ccc(CCCCn2cc[nH+]c2C)cc1	ZINC000026145112	561767007	/nfs/dbraw/zinc/76/70/07/561767007.db2.gz	FQLJQZSFHVLNCA-CPCREDONSA-N	2	1	624.871	3.886	1	0		KHAFMP
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C[C@@H](O)[C@H](Cc1ccc(OCCC[NH+]2CCOCC2)cc1)NC(=O)OC(C)(C)C	ZINC000026148573	561767409	/nfs/dbraw/zinc/76/74/09/561767409.db2.gz	GVGIURATDJMDNM-UYEZAFAQSA-N	2	1	686.891	3.671	1	0		KHAFMP
COc1ccccc1OCC[NH+]1CCN(c2ccc(=O)n(CCCCCC[NH+]3CCN(c4ccccc4OC)CC3)n2)CC1	ZINC000026252030	561774220	/nfs/dbraw/zinc/77/42/20/561774220.db2.gz	CTZDCVMKMXZGER-UHFFFAOYSA-N	2	1	604.796	3.844	1	0		KHAFMP
O=S(=O)(Cc1ccccc1)NCCCN1CC[NH+](CCCNc2cc[nH+]c3cc(Cl)ccc23)CC1	ZINC000026576039	561799838	/nfs/dbraw/zinc/79/98/38/561799838.db2.gz	OLZJRIZEUXYZLZ-UHFFFAOYSA-N	2	1	516.111	3.818	1	0		KHAFMP
Cc1ccc(S(=O)(=O)NCCCN2CC[NH+](CCCNc3cc[nH+]c4cc(Cl)ccc34)CC2)cc1	ZINC000026576178	561799971	/nfs/dbraw/zinc/79/99/71/561799971.db2.gz	LLYPRGQPHQZUJB-UHFFFAOYSA-N	2	1	516.111	3.985	1	0		KHAFMP
O=S(=O)(NCCCN1CC[NH+](CCCNc2cc[nH+]c3cc(Cl)ccc23)CC1)c1ccccc1	ZINC000026577266	561801199	/nfs/dbraw/zinc/80/11/99/561801199.db2.gz	DPOKNHBDCMCOHK-UHFFFAOYSA-N	2	1	502.084	3.676	1	0		KHAFMP
CC(=O)c1cccc(S(=O)(=O)NCCCN2CC[NH+](CCCNc3cc[nH+]c4cc(Cl)ccc34)CC2)c1	ZINC000026577502	561801770	/nfs/dbraw/zinc/80/17/70/561801770.db2.gz	ITCVVLPWOBTDQR-UHFFFAOYSA-N	2	1	544.121	3.879	1	0		KHAFMP
O=S(=O)(NCCCN1CC[NH+](CCCNc2cc[nH+]c3cc(Cl)ccc23)CC1)c1ccccc1F	ZINC000026577512	561801728	/nfs/dbraw/zinc/80/17/28/561801728.db2.gz	OMHOPGPOYWXTOA-UHFFFAOYSA-N	2	1	520.074	3.816	1	0		KHAFMP
O=S(=O)(NCCCN1CC[NH+](CCCNc2cc[nH+]c3cc(Cl)ccc23)CC1)c1cccs1	ZINC000026577768	561802280	/nfs/dbraw/zinc/80/22/80/561802280.db2.gz	GLDYZECFXDVESI-UHFFFAOYSA-N	2	1	508.113	3.738	1	0		KHAFMP
CC(C)c1[nH+]ccn1CCCCc1ccc(CC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCC[NH3+])C(=O)NCCC2CCCCC2)cc1	ZINC000026578735	561803676	/nfs/dbraw/zinc/80/36/76/561803676.db2.gz	CGPFHYHESLZOHL-CONSDPRKSA-N	2	1	624.871	3.749	1	0		KHAFMP
CC[NH+]1CCOCCn2cc(c3ccccc32)C2=C(c3cn(c4ccccc34)CC[N@@H+](CC)CCOCC1)C(=O)NC2=O	ZINC000026819654	561820841	/nfs/dbraw/zinc/82/08/41/561820841.db2.gz	QTVNFRLKAGKBPS-UHFFFAOYSA-N	2	1	583.733	3.854	1	0		KHAFMP
CC[NH+]1CCOCCn2cc(c3ccccc32)C2=C(c3cn(c4ccccc34)CC[N@H+](CC)CCOCC1)C(=O)NC2=O	ZINC000026819654	561820839	/nfs/dbraw/zinc/82/08/39/561820839.db2.gz	QTVNFRLKAGKBPS-UHFFFAOYSA-N	2	1	583.733	3.854	1	0		KHAFMP
CC[NH+]1CCOCC[N@@H+](CC)CCOCCn2cc(c3ccccc32)C2=C(c3cn(c4ccccc34)CC1)C(=O)NC2=O	ZINC000026819654	561820837	/nfs/dbraw/zinc/82/08/37/561820837.db2.gz	QTVNFRLKAGKBPS-UHFFFAOYSA-N	2	1	583.733	3.854	1	0		KHAFMP
CC(C)[C@H](NC(=O)OCCCCC[NH3+])C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H]([NH2+]Cc1ccccc1)C(=O)N[C@H](C(=O)NCc1ccccc1)C(C)C	ZINC000027550517	561867886	/nfs/dbraw/zinc/86/78/86/561867886.db2.gz	ZYZCDKDXZBBJML-RHAMUZCRSA-N	2	1	730.951	3.570	1	0		KHAFMP
Oc1ccc2c3c1O[C@H]1c4[nH]c5c(c4C[C@@]4(O)[C@@H](C2)[NH+](CC2CC2)CC[C@]314)C[C@@]1(O)[C@H]2Cc3ccc(O)c4c3[C@@]1(CC[N@@H+]2CC1CC1)[C@@H]5O4	ZINC000027634756	561874325	/nfs/dbraw/zinc/87/43/25/561874325.db2.gz	APSUXPSYBJVPPS-ZPNJUIDCSA-N	2	1	661.799	3.824	1	0		KHAFMP
Oc1ccc2c3c1O[C@H]1c4[nH]c5c(c4C[C@@]4(O)[C@@H](C2)[NH+](CC2CC2)CC[C@]314)C[C@@]1(O)[C@H]2Cc3ccc(O)c4c3[C@@]1(CC[N@H+]2CC1CC1)[C@@H]5O4	ZINC000027634756	561874324	/nfs/dbraw/zinc/87/43/24/561874324.db2.gz	APSUXPSYBJVPPS-ZPNJUIDCSA-N	2	1	661.799	3.824	1	0		KHAFMP
Oc1ccc2c3c1O[C@H]1c4[nH]c5c(c4C[C@@]4(O)[C@@H](C2)[N@@H+](CC2CC2)CC[C@]314)C[C@@]1(O)[C@H]2Cc3ccc(O)c4c3[C@@]1(CC[NH+]2CC1CC1)[C@@H]5O4	ZINC000027634756	561874323	/nfs/dbraw/zinc/87/43/23/561874323.db2.gz	APSUXPSYBJVPPS-ZPNJUIDCSA-N	2	1	661.799	3.824	1	0		KHAFMP
Cn1c2c(c3c1[C@@H]1Oc4c5c(ccc4O)C[C@H]4[N@H+](CC6CC6)CC[C@]51[C@@]4(O)C3)C[C@@]1(O)[C@H]3Cc4ccc(O)c5c4[C@@]1(CC[NH+]3CC1CC1)[C@H]2O5	ZINC000027899504	561890795	/nfs/dbraw/zinc/89/07/95/561890795.db2.gz	DKIVQMBUHVYDFC-IWRYZOJTSA-N	2	1	675.826	3.835	1	0		KHAFMP
CC(=[NH2+])N1CCC(N(CC(N)=O)c2ccc3c(c2)nc(C)n3Cc2ccc3ccc(C(N)=[NH2+])cc3c2)CC1	ZINC000028005872	561895509	/nfs/dbraw/zinc/89/55/09/561895509.db2.gz	KKCZSJRNVYGHPX-UHFFFAOYSA-N	2	1	510.646	3.584	1	0		KHAFMP
CC(=[NH2+])N1CCC(N(CC(N)=O)c2ccc3[nH+]c(C)n(Cc4ccc5ccc(C(N)=[NH2+])cc5c4)c3c2)CC1	ZINC000028017016	561897544	/nfs/dbraw/zinc/89/75/44/561897544.db2.gz	QYQMIYAPIMHSEV-UHFFFAOYSA-N	3	1	510.646	3.584	1	0		KHAFMP
CCCCOC(=O)[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3S(N)(=O)=O)cc2)C[C@H]1c1cccc(C(N)=[NH2+])c1	ZINC000028222697	561907561	/nfs/dbraw/zinc/90/75/61/561907561.db2.gz	GGSVKXFKOZNQGL-IZZNHLLZSA-N	2	1	534.682	3.844	1	0		KHAFMP
COCC[N@@H+](C)Cc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1	ZINC000028346377	561914910	/nfs/dbraw/zinc/91/49/10/561914910.db2.gz	UGBBDLMUDPROHP-FIRIVFDPSA-N	2	1	604.195	3.509	1	0		KHAFMP
COCC[N@H+](C)Cc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1	ZINC000028346377	561914909	/nfs/dbraw/zinc/91/49/09/561914909.db2.gz	UGBBDLMUDPROHP-FIRIVFDPSA-N	2	1	604.195	3.509	1	0		KHAFMP
C[C@@H](N[C@@H]1CCC[NH2+]C1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1	ZINC000028346652	561915103	/nfs/dbraw/zinc/91/51/03/561915103.db2.gz	NKVAOVHVGQNSIX-XYORVBSASA-N	2	1	629.249	3.833	1	0		KHAFMP
C[C@H](N[C@@H]1CCC[NH2+]C1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1	ZINC000028346659	561915013	/nfs/dbraw/zinc/91/50/13/561915013.db2.gz	NKVAOVHVGQNSIX-TYZKWPDLSA-N	2	1	629.249	3.833	1	0		KHAFMP
C[C@@H](N[C@H]1CCC[NH2+]C1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1	ZINC000028346666	561915030	/nfs/dbraw/zinc/91/50/30/561915030.db2.gz	NKVAOVHVGQNSIX-ZKJISJESSA-N	2	1	629.249	3.833	1	0		KHAFMP
C[C@H](N[C@H]1CCC[NH2+]C1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1	ZINC000028346674	561914981	/nfs/dbraw/zinc/91/49/81/561914981.db2.gz	NKVAOVHVGQNSIX-MPSMQLKESA-N	2	1	629.249	3.833	1	0		KHAFMP
C[C@H](N[C@H]1CCC[NH2+]C1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H]([NH3+])c2ccccc2)CC1	ZINC000028349707	561915349	/nfs/dbraw/zinc/91/53/49/561915349.db2.gz	FSKFKMCMKZGDFB-GWBAKXAOSA-N	2	1	603.211	3.819	1	0		KHAFMP
O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2C[NH2+]CCCn2ccnc2)CC1)[C@H]1Cc2ccccc2C[NH2+]1	ZINC000028350901	561915505	/nfs/dbraw/zinc/91/55/05/561915505.db2.gz	GWZCEQCLTPHCDE-CZNDPXEESA-N	2	1	640.232	3.807	1	0		KHAFMP
O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2C[NH2+]CCCN2CCCC2=O)CC1)[C@H]1Cc2ccccc2C[NH2+]1	ZINC000028350913	561915534	/nfs/dbraw/zinc/91/55/34/561915534.db2.gz	SPYZGNUOHONYKK-CZNDPXEESA-N	2	1	657.259	3.533	1	0		KHAFMP
C[N@@H+](CCc1cccs1)Cc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)CC[NH3+])CC1	ZINC000028371724	561918445	/nfs/dbraw/zinc/91/84/45/561918445.db2.gz	JGFFBXAJCQEXOU-HHHXNRCGSA-N	2	1	568.187	3.801	1	0		KHAFMP
C[C@H]1CN(Cc2ccccc2N2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)[C@H]3Cc4ccccc4C[NH2+]3)CC2)[C@@H](C)C[NH2+]1	ZINC000028373958	561918930	/nfs/dbraw/zinc/91/89/30/561918930.db2.gz	HXNYGNARSWEPBQ-PKEWHSBVSA-N	2	1	629.249	3.613	1	0		KHAFMP
O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CC[NH+](C2CCCCC2)CC1)[C@@H]1Cc2ccccc2C[NH2+]1	ZINC000028376839	561919390	/nfs/dbraw/zinc/91/93/90/561919390.db2.gz	YGHRPBJBMRFBDH-RRPNLBNLSA-N	2	1	509.094	3.559	1	0		KHAFMP
O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2C[NH2+]CC2CC[NH2+]CC2)CC1)[C@H]1Cc2ccccc2C[NH2+]1	ZINC000028379507	561919809	/nfs/dbraw/zinc/91/98/09/561919809.db2.gz	ZSOSLHPASNRCAN-CZNDPXEESA-N	3	1	629.249	3.520	1	0		KHAFMP
O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2C[NH2+]C2CC2)CC1)[C@H]1Cc2ccccc2C[NH2+]1	ZINC000028382569	561920377	/nfs/dbraw/zinc/92/03/77/561920377.db2.gz	ICRJCGLBFZCEKH-LOYHVIPDSA-N	2	1	572.153	3.683	1	0		KHAFMP
Cc1ccc(C(=O)NCC2([NH+]3CCN(C(=O)[C@@H](Cc4ccc(Cl)cc4Cl)NC(=O)CC[NH3+])CC3)CCCCC2)cc1	ZINC000028396787	561923177	/nfs/dbraw/zinc/92/31/77/561923177.db2.gz	GJKUAPTZMDGJBK-HHHXNRCGSA-N	2	1	602.607	3.955	1	0		KHAFMP
COc1ccc(C(=O)NCC2([NH+]3CCN(C(=O)[C@@H](Cc4ccc(Cl)cc4Cl)NC(=O)CC[NH3+])CC3)CCCCC2)cc1	ZINC000028397995	561923425	/nfs/dbraw/zinc/92/34/25/561923425.db2.gz	OMEPENINJNEJNC-HHHXNRCGSA-N	2	1	618.606	3.655	1	0		KHAFMP
COc1ccccc1C(=O)NCC1([NH+]2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3Cl)NC(=O)CC[NH3+])CC2)CCCCC1	ZINC000028398002	561923462	/nfs/dbraw/zinc/92/34/62/561923462.db2.gz	GPICGWHLQCOQQJ-AREMUKBSSA-N	2	1	618.606	3.655	1	0		KHAFMP
C[NH+](C)CC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2C[NH2+]CCc2cccs2)CC1	ZINC000028456273	561923853	/nfs/dbraw/zinc/92/38/53/561923853.db2.gz	XRXAKCDQCGISNT-HHHXNRCGSA-N	2	1	568.187	3.672	1	0		KHAFMP
[NH3+]CCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CC[NH+](C2(CNC(=O)c3ccccc3)CCCCC2)CC1	ZINC000028457823	561924258	/nfs/dbraw/zinc/92/42/58/561924258.db2.gz	RWUZHUJWLDWFTL-AREMUKBSSA-N	2	1	588.580	3.647	1	0		KHAFMP
[NH3+]CCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CC[NH+](C2(CNC(=O)c3ccc(F)cc3)CCCCC2)CC1	ZINC000028457848	561924262	/nfs/dbraw/zinc/92/42/62/561924262.db2.gz	MNMADXAXFOTAKU-AREMUKBSSA-N	2	1	606.570	3.786	1	0		KHAFMP
[NH3+]CCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CC[NH+](C2(CNC(=O)c3cccs3)CCCCC2)CC1	ZINC000028457862	561924231	/nfs/dbraw/zinc/92/42/31/561924231.db2.gz	WNAPUNASNPLERA-HSZRJFAPSA-N	2	1	594.609	3.708	1	0		KHAFMP
[NH3+]CCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CC[NH+](C2(CNC(=O)Cc3ccccc3)CCCCC2)CC1	ZINC000028457869	561924227	/nfs/dbraw/zinc/92/42/27/561924227.db2.gz	HHHGGOMKUAYOJZ-HHHXNRCGSA-N	2	1	602.607	3.576	1	0		KHAFMP
COc1cccc(CC(=O)NCC2([NH+]3CCN(C(=O)[C@@H](Cc4ccc(Cl)cc4Cl)NC(=O)CC[NH3+])CC3)CCCCC2)c1	ZINC000028458087	561924278	/nfs/dbraw/zinc/92/42/78/561924278.db2.gz	VTYFXSGVWVZOFL-MUUNZHRXSA-N	2	1	632.633	3.584	1	0		KHAFMP
[NH3+]CCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CC[NH+](C2(CNC(=O)Cc3ccc(F)cc3)CCCCC2)CC1	ZINC000028461044	561925135	/nfs/dbraw/zinc/92/51/35/561925135.db2.gz	LDJVXMVFFDHZCY-HHHXNRCGSA-N	2	1	620.597	3.715	1	0		KHAFMP
COc1ccc(CC(=O)NCC2([NH+]3CCN(C(=O)[C@@H](Cc4ccc(Cl)cc4Cl)NC(=O)CC[NH3+])CC3)CCCCC2)cc1OC	ZINC000028461243	561925265	/nfs/dbraw/zinc/92/52/65/561925265.db2.gz	KXSRHFDSVLRCCT-HHHXNRCGSA-N	2	1	662.659	3.593	1	0		KHAFMP
[NH3+]CCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CC[NH+](C2(CNC(=O)Cc3cccs3)CCCCC2)CC1	ZINC000028461514	561925276	/nfs/dbraw/zinc/92/52/76/561925276.db2.gz	AWDCZSOETVHKLV-RUZDIDTESA-N	2	1	608.636	3.637	1	0		KHAFMP
COC(=O)c1ccc(NC(=O)NCC2([NH+]3CCN(C(=O)[C@@H](Cc4ccc(Cl)cc4Cl)NC(=O)CC[NH3+])CC3)CCCCC2)cc1	ZINC000028462667	561925669	/nfs/dbraw/zinc/92/56/69/561925669.db2.gz	JJBRUWDDMOBYPF-HHHXNRCGSA-N	2	1	661.631	3.825	1	0		KHAFMP
C[NH+](C)CCCOc1ccc(CN2CC[C@H](NC(=O)[C@H](CCC[NH3+])NC(=O)c3ccc(Cl)c(Cl)c3)C2)cc1	ZINC000028468469	561926603	/nfs/dbraw/zinc/92/66/03/561926603.db2.gz	PMIHBFXPSXCKFB-NVQXNPDNSA-N	2	1	564.558	3.552	1	0		KHAFMP
C[NH+](C)CCCOc1ccc(C[N@H+]2CC[C@H](NC(=O)[C@H](CCC[NH3+])NC(=O)c3ccc(Cl)c(Cl)c3)C2)cc1	ZINC000028468469	561926601	/nfs/dbraw/zinc/92/66/01/561926601.db2.gz	PMIHBFXPSXCKFB-NVQXNPDNSA-N	3	1	564.558	3.552	1	0		KHAFMP
CC(C)C[C@H](NC(=O)Nc1ccccc1)C(=O)N[C@H]1CC[N@@H+](Cc2ccc(OCCC[NH+](C)C)cc2)C1	ZINC000028470519	561926810	/nfs/dbraw/zinc/92/68/10/561926810.db2.gz	SEGOHOHUUXEXJV-BDYUSTAISA-N	2	1	509.695	3.944	1	0		KHAFMP
CC(C)C[C@H](NC(=O)c1cccs1)C(=O)N[C@H]1CC[N@@H+](Cc2ccc(OCCC[NH+](C)C)cc2)C1	ZINC000028472680	561927225	/nfs/dbraw/zinc/92/72/25/561927225.db2.gz	FBIXVVSBGBUTAX-UPVQGACJSA-N	2	1	500.709	3.614	1	0		KHAFMP
CC(C)C[C@H](NC(=O)Oc1ccccc1)C(=O)N[C@H]1CC[N@@H+](Cc2ccc(OCCC[NH+](C)C)cc2)C1	ZINC000028474097	561927488	/nfs/dbraw/zinc/92/74/88/561927488.db2.gz	PTIGCKULWOAKIL-IGKIAQTJSA-N	2	1	510.679	3.911	1	0		KHAFMP
C[NH2+][C@@H]1CCc2cccc(N3CCN(C(=O)[C@@H](Cc4ccc(Cl)cc4)NC(=O)[C@H]4Cc5ccccc5C[NH2+]4)CC3)c2C1	ZINC000028527399	561932390	/nfs/dbraw/zinc/93/23/90/561932390.db2.gz	NEYQLRVQPHSIPG-JJEZKPMQSA-N	2	1	586.180	3.507	1	0		KHAFMP
C[NH2+][C@H]1CCc2cccc(N3CCN(C(=O)[C@@H](Cc4ccc(Cl)cc4)NC(=O)[C@H]4Cc5ccccc5C[NH2+]4)CC3)c2C1	ZINC000028527402	561932380	/nfs/dbraw/zinc/93/23/80/561932380.db2.gz	NEYQLRVQPHSIPG-FAOMPSFFSA-N	2	1	586.180	3.507	1	0		KHAFMP
C[NH+](C)[C@@H]1CCc2cccc(N3CCN(C(=O)[C@@H](Cc4ccc(Cl)cc4)NC(=O)[C@H]4Cc5ccccc5C[NH2+]4)CC3)c2C1	ZINC000028528230	561932960	/nfs/dbraw/zinc/93/29/60/561932960.db2.gz	BOSMDIPMRDHNDU-AFEGNUHBSA-N	2	1	600.207	3.850	1	0		KHAFMP
CC[N@H+]1CCc2cccc(N3CCN(C(=O)[C@@H](Cc4ccc(Cl)cc4)NC(=O)[C@H]4Cc5ccccc5C[NH2+]4)CC3)c2C1	ZINC000028528954	561933610	/nfs/dbraw/zinc/93/36/10/561933610.db2.gz	JTJWQYXRVACUGS-FIRIVFDPSA-N	2	1	586.180	3.809	1	0		KHAFMP
CC[N@@H+]1CCc2cccc(N3CCN(C(=O)[C@@H](Cc4ccc(Cl)cc4)NC(=O)[C@H]4Cc5ccccc5C[NH2+]4)CC3)c2C1	ZINC000028528954	561933608	/nfs/dbraw/zinc/93/36/08/561933608.db2.gz	JTJWQYXRVACUGS-FIRIVFDPSA-N	2	1	586.180	3.809	1	0		KHAFMP
CC[N@H+]1CCc2c(cccc2N2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)[C@H]3Cc4ccccc4C[NH2+]3)CC2)C1	ZINC000028528956	561933630	/nfs/dbraw/zinc/93/36/30/561933630.db2.gz	JULTYTPAEPLXQT-FIRIVFDPSA-N	2	1	586.180	3.809	1	0		KHAFMP
CC[N@@H+]1CCc2c(cccc2N2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)[C@H]3Cc4ccccc4C[NH2+]3)CC2)C1	ZINC000028528956	561933628	/nfs/dbraw/zinc/93/36/28/561933628.db2.gz	JULTYTPAEPLXQT-FIRIVFDPSA-N	2	1	586.180	3.809	1	0		KHAFMP
[NH3+][C@@H](Cc1ccncc1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CC[NH+](C2(CNC(=O)Cc3ccccc3)CCCCC2)CC1	ZINC000028529156	561933674	/nfs/dbraw/zinc/93/36/74/561933674.db2.gz	OWPZMDOJHYYKAP-AJQTZOPKSA-N	2	1	645.248	3.538	1	0		KHAFMP
[NH3+][C@H](Cc1ccncc1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CC[NH+](C2(CNC(=O)Cc3ccccc3)CCCCC2)CC1	ZINC000028529159	561933733	/nfs/dbraw/zinc/93/37/33/561933733.db2.gz	OWPZMDOJHYYKAP-ROJLCIKYSA-N	2	1	645.248	3.538	1	0		KHAFMP
CS(=O)(=O)N1CCc2c(c(-c3ccc(Br)cc3)nn2C[C@@H](O)C[NH+]2CCC([N@H+]3CCc4ccccc4C3)CC2)C1	ZINC000028572229	561939904	/nfs/dbraw/zinc/93/99/04/561939904.db2.gz	MUMVAWLSJMWHJO-MHZLTWQESA-N	2	1	628.637	3.514	1	0		KHAFMP
CS(=O)(=O)N1CCc2c(c(-c3ccc(Br)cc3)nn2C[C@@H](O)C[NH+]2CCC([N@@H+]3CCc4ccccc4C3)CC2)C1	ZINC000028572229	561939902	/nfs/dbraw/zinc/93/99/02/561939902.db2.gz	MUMVAWLSJMWHJO-MHZLTWQESA-N	2	1	628.637	3.514	1	0		KHAFMP
CS(=O)(=O)N1CCc2c(c(-c3ccc(Br)cc3)nn2C[C@H](O)C[NH+]2CCC([N@H+]3CCc4ccccc4C3)CC2)C1	ZINC000028572230	561939930	/nfs/dbraw/zinc/93/99/30/561939930.db2.gz	MUMVAWLSJMWHJO-HHHXNRCGSA-N	2	1	628.637	3.514	1	0		KHAFMP
CS(=O)(=O)N1CCc2c(c(-c3ccc(Br)cc3)nn2C[C@H](O)C[NH+]2CCC([N@@H+]3CCc4ccccc4C3)CC2)C1	ZINC000028572230	561939928	/nfs/dbraw/zinc/93/99/28/561939928.db2.gz	MUMVAWLSJMWHJO-HHHXNRCGSA-N	2	1	628.637	3.514	1	0		KHAFMP
NC(=[NH2+])NCCC[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)N1CCN(CCCCCCCCCCCC[NH3+])CC1	ZINC000028643793	561944259	/nfs/dbraw/zinc/94/42/59/561944259.db2.gz	XMUFRADMMJZLAV-SANMLTNESA-N	2	1	633.826	3.619	1	0		KHAFMP
NC(=[NH2+])NCCC[C@H](NS(=O)(=O)c1cccc2ccccc21)C(=O)N1CCN(CCCCCCCCCCCC[NH3+])CC1	ZINC000028643933	561944263	/nfs/dbraw/zinc/94/42/63/561944263.db2.gz	IJUQJZBQSSPTLK-LJAQVGFWSA-N	2	1	615.889	3.754	1	0		KHAFMP
COCCCOc1cc(C[C@@H](C[C@H]([NH3+])[C@@H](O)C[C@H](C(=O)NCCC[NH+]2CCOCC2)C(C)C)C(C)C)ccc1OC	ZINC000028711777	561952350	/nfs/dbraw/zinc/95/23/50/561952350.db2.gz	NZBXYAPXXXYWPS-DZUOILHNSA-N	2	1	579.823	3.504	1	0		KHAFMP
Oc1ccc2c3c1O[C@@H]1c4[nH]c5c(c4C[C@]4(O)[C@H](C2)[N@@H+](CC2CC2)CC[C@@]314)C[C@@]1(O)[C@H]2Cc3ccc(O)c4c3[C@@]1(CC[NH+]2CC1CC1)[C@H]5O4	ZINC000028764970	561959426	/nfs/dbraw/zinc/95/94/26/561959426.db2.gz	APSUXPSYBJVPPS-XFPGJURKSA-N	2	1	661.799	3.824	1	0		KHAFMP
Oc1ccc2c3c1O[C@@H]1c4[nH]c5c(c4C[C@]4(O)[C@H](C2)[N@H+](CC2CC2)CC[C@@]314)C[C@@]1(O)[C@H]2Cc3ccc(O)c4c3[C@@]1(CC[NH+]2CC1CC1)[C@H]5O4	ZINC000028764970	561959424	/nfs/dbraw/zinc/95/94/24/561959424.db2.gz	APSUXPSYBJVPPS-XFPGJURKSA-N	2	1	661.799	3.824	1	0		KHAFMP
Oc1ccc2c3c1O[C@@H]1c4[nH]c5c(c4C[C@]4(O)[C@H](C2)[NH+](CC2CC2)CC[C@@]314)C[C@@]1(O)[C@H]2Cc3ccc(O)c4c3[C@@]1(CC[N@@H+]2CC1CC1)[C@H]5O4	ZINC000028764970	561959422	/nfs/dbraw/zinc/95/94/22/561959422.db2.gz	APSUXPSYBJVPPS-XFPGJURKSA-N	2	1	661.799	3.824	1	0		KHAFMP
O=C(CN1c2ccccc2Sc2ccccc21)NCc1ccc(C[N@H+]2CCCNCC[NH2+]CCCNCC2)cc1	ZINC000028817783	561965053	/nfs/dbraw/zinc/96/50/53/561965053.db2.gz	UFPAKOXVBMYECE-UHFFFAOYSA-N	2	1	558.796	3.970	1	0		KHAFMP
O=C(CN1c2ccccc2Sc2ccccc21)NCc1ccc(C[N@@H+]2CCCNCC[NH2+]CCCNCC2)cc1	ZINC000028817783	561965051	/nfs/dbraw/zinc/96/50/51/561965051.db2.gz	UFPAKOXVBMYECE-UHFFFAOYSA-N	2	1	558.796	3.970	1	0		KHAFMP
COc1ccc([C@@H]2C[N@@H+](C)Cc3cc(OCCC[NH+]4CCN(C(=O)c5cccn5C)CC4)ccc32)cc1	ZINC000028818182	561965269	/nfs/dbraw/zinc/96/52/69/561965269.db2.gz	OJNGRQJLBMORTD-NDEPHWFRSA-N	2	1	502.659	3.838	1	0		KHAFMP
COc1ccc([C@@H]2C[N@H+](C)Cc3cc(OCCC[NH+]4CCN(C(=O)c5cccn5C)CC4)ccc32)cc1	ZINC000028818182	561965268	/nfs/dbraw/zinc/96/52/68/561965268.db2.gz	OJNGRQJLBMORTD-NDEPHWFRSA-N	2	1	502.659	3.838	1	0		KHAFMP
COc1ccc([C@H]2C[N@@H+](C)Cc3cc(OCCC[NH+]4CCN(C(=O)c5cccn5C)CC4)ccc32)cc1	ZINC000028818184	561965247	/nfs/dbraw/zinc/96/52/47/561965247.db2.gz	OJNGRQJLBMORTD-MUUNZHRXSA-N	2	1	502.659	3.838	1	0		KHAFMP
COc1ccc([C@H]2C[N@H+](C)Cc3cc(OCCC[NH+]4CCN(C(=O)c5cccn5C)CC4)ccc32)cc1	ZINC000028818184	561965246	/nfs/dbraw/zinc/96/52/46/561965246.db2.gz	OJNGRQJLBMORTD-MUUNZHRXSA-N	2	1	502.659	3.838	1	0		KHAFMP
[NH3+]Cc1ncc([C@@]23C[C@@H]2[C@H](N(CC[N@H+]2CC[C@H](O)C2)C(=O)Nc2ccc(F)c(C(F)(F)F)c2)CC3)s1	ZINC000028825135	561970293	/nfs/dbraw/zinc/97/02/93/561970293.db2.gz	ZPOIVAJZTHLTTO-IIPRLWIHSA-N	2	1	527.588	3.781	1	0		KHAFMP
C[NH+](CCc1ccccn1)CCn1c(=O)c2c(n(Cc3c(F)cccc3F)c1=O)CC[N@H+](CCc1c[nH]c3ccccc13)C2	ZINC000028863566	561972412	/nfs/dbraw/zinc/97/24/12/561972412.db2.gz	VTBVXMWPFNAGBO-UHFFFAOYSA-N	2	1	598.698	3.988	1	0		KHAFMP
C[NH+](CCc1ccccn1)CCn1c(=O)c2c(n(Cc3c(F)cccc3F)c1=O)CC[N@@H+](CCc1c[nH]c3ccccc13)C2	ZINC000028863566	561972409	/nfs/dbraw/zinc/97/24/09/561972409.db2.gz	VTBVXMWPFNAGBO-UHFFFAOYSA-N	2	1	598.698	3.988	1	0		KHAFMP
C[N@H+](CCc1ccccn1)CCn1c(=O)c2c(n(Cc3c(F)cccc3F)c1=O)CC[NH+](CCc1c[nH]c3ccccc13)C2	ZINC000028863566	561972408	/nfs/dbraw/zinc/97/24/08/561972408.db2.gz	VTBVXMWPFNAGBO-UHFFFAOYSA-N	2	1	598.698	3.988	1	0		KHAFMP
Cc1ccc(C[N@H+]2CCc3c(c(=O)n(CC[NH+](C)CCc4ccccn4)c(=O)n3Cc3c(F)cccc3F)C2)cc1	ZINC000028863568	561972316	/nfs/dbraw/zinc/97/23/16/561972316.db2.gz	WHEDHWZAZRCOHY-UHFFFAOYSA-N	2	1	559.661	3.773	1	0		KHAFMP
Cc1ccc(C[N@@H+]2CCc3c(c(=O)n(CC[NH+](C)CCc4ccccn4)c(=O)n3Cc3c(F)cccc3F)C2)cc1	ZINC000028863568	561972314	/nfs/dbraw/zinc/97/23/14/561972314.db2.gz	WHEDHWZAZRCOHY-UHFFFAOYSA-N	2	1	559.661	3.773	1	0		KHAFMP
Cc1ccc(C[NH+]2CCc3c(c(=O)n(CC[N@H+](C)CCc4ccccn4)c(=O)n3Cc3c(F)cccc3F)C2)cc1	ZINC000028863568	561972312	/nfs/dbraw/zinc/97/23/12/561972312.db2.gz	WHEDHWZAZRCOHY-UHFFFAOYSA-N	2	1	559.661	3.773	1	0		KHAFMP
C[NH+](CCc1ccccn1)CCn1c(=O)c2c(n(Cc3c(F)cccc3F)c1=O)CC[N@H+](Cc1ccc(-n3ccnc3)cc1)C2	ZINC000028864107	561972561	/nfs/dbraw/zinc/97/25/61/561972561.db2.gz	VIBZWBFABDSSKX-UHFFFAOYSA-N	2	1	611.697	3.650	1	0		KHAFMP
C[NH+](CCc1ccccn1)CCn1c(=O)c2c(n(Cc3c(F)cccc3F)c1=O)CC[N@@H+](Cc1ccc(-n3ccnc3)cc1)C2	ZINC000028864107	561972560	/nfs/dbraw/zinc/97/25/60/561972560.db2.gz	VIBZWBFABDSSKX-UHFFFAOYSA-N	2	1	611.697	3.650	1	0		KHAFMP
C[N@H+](CCc1ccccn1)CCn1c(=O)c2c(n(Cc3c(F)cccc3F)c1=O)CC[NH+](Cc1ccc(-n3ccnc3)cc1)C2	ZINC000028864107	561972558	/nfs/dbraw/zinc/97/25/58/561972558.db2.gz	VIBZWBFABDSSKX-UHFFFAOYSA-N	2	1	611.697	3.650	1	0		KHAFMP
Cc1ccccc1C[N@H+]1CCc2c(c(=O)n(CC[NH+](C)CCc3ccccn3)c(=O)n2Cc2c(F)cccc2F)C1	ZINC000028864135	561972474	/nfs/dbraw/zinc/97/24/74/561972474.db2.gz	PDQCJZJFEPQKRT-UHFFFAOYSA-N	2	1	559.661	3.773	1	0		KHAFMP
Cc1ccccc1C[N@@H+]1CCc2c(c(=O)n(CC[NH+](C)CCc3ccccn3)c(=O)n2Cc2c(F)cccc2F)C1	ZINC000028864135	561972473	/nfs/dbraw/zinc/97/24/73/561972473.db2.gz	PDQCJZJFEPQKRT-UHFFFAOYSA-N	2	1	559.661	3.773	1	0		KHAFMP
Cc1ccccc1C[NH+]1CCc2c(c(=O)n(CC[N@H+](C)CCc3ccccn3)c(=O)n2Cc2c(F)cccc2F)C1	ZINC000028864135	561972471	/nfs/dbraw/zinc/97/24/71/561972471.db2.gz	PDQCJZJFEPQKRT-UHFFFAOYSA-N	2	1	559.661	3.773	1	0		KHAFMP
Cc1ccc(C[N@H+]2CCc3c(c(=O)n(C[C@@H]4CCCC[NH2+]4)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1	ZINC000028864174	561972886	/nfs/dbraw/zinc/97/28/86/561972886.db2.gz	LQAIYGISSMMWQL-QFIPXVFZSA-N	2	1	508.613	3.654	1	0		KHAFMP
Cc1ccc(C[N@H+]2CCc3c(c(=O)n(C[C@H]4CCCC[NH2+]4)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1	ZINC000028864175	561972880	/nfs/dbraw/zinc/97/28/80/561972880.db2.gz	LQAIYGISSMMWQL-JOCHJYFZSA-N	2	1	508.613	3.654	1	0		KHAFMP
Cc1ccc(C[N@H+]2CCc3c(c(=O)n(C[C@H]4CCCC[NH+]4C)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1	ZINC000028864178	561972808	/nfs/dbraw/zinc/97/28/08/561972808.db2.gz	MHSAZRNRLVUKIR-HSZRJFAPSA-N	2	1	522.640	3.996	1	0		KHAFMP
Cc1ccc(C[N@@H+]2CCc3c(c(=O)n(C[C@H]4CCCC[NH+]4C)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1	ZINC000028864178	561972807	/nfs/dbraw/zinc/97/28/07/561972807.db2.gz	MHSAZRNRLVUKIR-HSZRJFAPSA-N	2	1	522.640	3.996	1	0		KHAFMP
Cc1ccc(C[NH+]2CCc3c(c(=O)n(C[C@H]4CCCC[N@@H+]4C)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1	ZINC000028864178	561972806	/nfs/dbraw/zinc/97/28/06/561972806.db2.gz	MHSAZRNRLVUKIR-HSZRJFAPSA-N	2	1	522.640	3.996	1	0		KHAFMP
Cc1ccc(C[N@H+]2CCc3c(c(=O)n(C[C@@H]4CCCC[NH+]4C)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1	ZINC000028864180	561972748	/nfs/dbraw/zinc/97/27/48/561972748.db2.gz	MHSAZRNRLVUKIR-QHCPKHFHSA-N	2	1	522.640	3.996	1	0		KHAFMP
Cc1ccc(C[N@@H+]2CCc3c(c(=O)n(C[C@@H]4CCCC[NH+]4C)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1	ZINC000028864180	561972746	/nfs/dbraw/zinc/97/27/46/561972746.db2.gz	MHSAZRNRLVUKIR-QHCPKHFHSA-N	2	1	522.640	3.996	1	0		KHAFMP
Cc1ccc(C[NH+]2CCc3c(c(=O)n(C[C@@H]4CCCC[N@@H+]4C)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1	ZINC000028864180	561972744	/nfs/dbraw/zinc/97/27/44/561972744.db2.gz	MHSAZRNRLVUKIR-QHCPKHFHSA-N	2	1	522.640	3.996	1	0		KHAFMP
Cc1ccc(C[N@H+]2CCc3c(c(=O)n(C[C@@H]4CCC[NH2+]C4)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1	ZINC000028864210	561972777	/nfs/dbraw/zinc/97/27/77/561972777.db2.gz	NNYSCEKARXXACN-OAQYLSRUSA-N	2	1	508.613	3.511	1	0		KHAFMP
Cc1ccc(C[N@H+]2CCc3c(c(=O)n(C[C@H]4CCC[NH2+]C4)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1	ZINC000028864213	561972729	/nfs/dbraw/zinc/97/27/29/561972729.db2.gz	NNYSCEKARXXACN-NRFANRHFSA-N	2	1	508.613	3.511	1	0		KHAFMP
Cc1ccc(C[N@H+]2CCc3c(c(=O)n(C[C@@H]4CCC[NH+](C)C4)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1	ZINC000028864216	561972835	/nfs/dbraw/zinc/97/28/35/561972835.db2.gz	DOGMLUOACWVFHA-JOCHJYFZSA-N	2	1	522.640	3.853	1	0		KHAFMP
Cc1ccc(C[N@@H+]2CCc3c(c(=O)n(C[C@@H]4CCC[NH+](C)C4)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1	ZINC000028864216	561972833	/nfs/dbraw/zinc/97/28/33/561972833.db2.gz	DOGMLUOACWVFHA-JOCHJYFZSA-N	2	1	522.640	3.853	1	0		KHAFMP
Cc1ccc(C[NH+]2CCc3c(c(=O)n(C[C@@H]4CCC[N@H+](C)C4)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1	ZINC000028864216	561972831	/nfs/dbraw/zinc/97/28/31/561972831.db2.gz	DOGMLUOACWVFHA-JOCHJYFZSA-N	2	1	522.640	3.853	1	0		KHAFMP
Cc1ccc(C[N@H+]2CCc3c(c(=O)n(C[C@H]4CCC[NH+](C)C4)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1	ZINC000028864219	561972864	/nfs/dbraw/zinc/97/28/64/561972864.db2.gz	DOGMLUOACWVFHA-QFIPXVFZSA-N	2	1	522.640	3.853	1	0		KHAFMP
Cc1ccc(C[N@@H+]2CCc3c(c(=O)n(C[C@H]4CCC[NH+](C)C4)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1	ZINC000028864219	561972863	/nfs/dbraw/zinc/97/28/63/561972863.db2.gz	DOGMLUOACWVFHA-QFIPXVFZSA-N	2	1	522.640	3.853	1	0		KHAFMP
Cc1ccc(C[NH+]2CCc3c(c(=O)n(C[C@H]4CCC[N@H+](C)C4)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1	ZINC000028864219	561972861	/nfs/dbraw/zinc/97/28/61/561972861.db2.gz	DOGMLUOACWVFHA-QFIPXVFZSA-N	2	1	522.640	3.853	1	0		KHAFMP
Cc1c(C[NH2+]CC2(N3CCN(C(=O)[C@H]4C[N@H+](C(C)C)C[C@@H]4c4ccccc4)CC3)CCCCC2)cnn1C	ZINC000028953791	561982488	/nfs/dbraw/zinc/98/24/88/561982488.db2.gz	YZAGVYBBAOOSKH-WDYNHAJCSA-N	2	1	520.766	3.789	1	0		KHAFMP
CC(C)[N@@H+]1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)N2CCN(c3ccccc3CN3CC[NH2+]CC3)CC2)C1	ZINC000028959725	561983956	/nfs/dbraw/zinc/98/39/56/561983956.db2.gz	GOBHJBHDLZVCNF-RRPNLBNLSA-N	2	1	510.126	3.518	1	0		KHAFMP
CC(C)[N@@H+]1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)N2CCN(c3ccccc3C[NH+]3CCN(C)CC3)CC2)C1	ZINC000028959728	561983961	/nfs/dbraw/zinc/98/39/61/561983961.db2.gz	ZECQNJBJFAZORD-WUFINQPMSA-N	2	1	524.153	3.860	1	0		KHAFMP
CC(C)[N@H+]1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)N2CCN(c3ccccc3C[NH+]3CCN(C)CC3)CC2)C1	ZINC000028959728	561983960	/nfs/dbraw/zinc/98/39/60/561983960.db2.gz	ZECQNJBJFAZORD-WUFINQPMSA-N	2	1	524.153	3.860	1	0		KHAFMP
CC(C)[N@@H+]1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)N2CCN(c3ccccc3CN3CC[NH+](C)CC3)CC2)C1	ZINC000028959728	561983958	/nfs/dbraw/zinc/98/39/58/561983958.db2.gz	ZECQNJBJFAZORD-WUFINQPMSA-N	2	1	524.153	3.860	1	0		KHAFMP
CC(C)[N@@H+]1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)N2CCN(c3ccccc3CN(C)C3C[NH2+]C3)CC2)C1	ZINC000028959772	561983875	/nfs/dbraw/zinc/98/38/75/561983875.db2.gz	VBFZVGNTNUWTFQ-RRPNLBNLSA-N	2	1	510.126	3.516	1	0		KHAFMP
CC(=O)c1sc(NC(=O)N[C@@H]2CCN(C(=O)C[NH+](C)C)C[C@H]2C[N@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C	ZINC000028975299	561986372	/nfs/dbraw/zinc/98/63/72/561986372.db2.gz	PXRJBYSXFOWDHK-JBRSBNLGSA-N	2	1	572.751	3.648	1	0		KHAFMP
CC(=O)c1sc(NC(=O)N[C@@H]2CN(C(=O)C[NH+](C)C)CC[C@H]2C[N@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C	ZINC000028975411	561986635	/nfs/dbraw/zinc/98/66/35/561986635.db2.gz	NBEYIKPRTIBJBG-SONWIMMPSA-N	2	1	572.751	3.648	1	0		KHAFMP
O=C(Cc1ccc(F)cc1)NC(=O)Nc1ccc(Oc2ncnn3ccc(C[NH2+]C4CC[NH2+]CC4)c23)c(F)c1	ZINC000029040635	561990809	/nfs/dbraw/zinc/99/08/09/561990809.db2.gz	YMVDFYNERAZVFU-UHFFFAOYSA-N	2	1	535.555	3.532	1	0		KHAFMP
[NH3+][C@@H]1C[C@H]([NH3+])CN(c2nc(N3C[C@H]([NH3+])C[C@H]([NH3+])C3)c(Cl)c(Nc3ccc(NC(=O)c4ccc5ccccc5c4[O-])cc3)c2Cl)C1	ZINC000029048919	561993793	/nfs/dbraw/zinc/99/37/93/561993793.db2.gz	LZHIQPKIGVPJDD-FXELSEDVSA-N	3	1	650.615	3.973	1	0		KHAFMP
Cc1ccc(C[N@H+]2CCc3c(c(=O)n(CC4CC[NH2+]CC4)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1	ZINC000029060324	561995689	/nfs/dbraw/zinc/99/56/89/561995689.db2.gz	SNNCHDGGFJMQBO-UHFFFAOYSA-N	2	1	508.613	3.511	1	0		KHAFMP
O=c1c2c(n(Cc3c(F)cccc3F)c(=O)n1CC[NH+]1CCc3ccccc3C1)CC[N@@H+](CC1CCCC1)C2	ZINC000029060700	561995635	/nfs/dbraw/zinc/99/56/35/561995635.db2.gz	FPEODYSPDCNTCE-UHFFFAOYSA-N	2	1	534.651	3.943	1	0		KHAFMP
O=c1c2c(n(Cc3c(F)cccc3F)c(=O)n1CC[NH+]1CCc3ccccc3C1)CC[N@H+](CC1CCCC1)C2	ZINC000029060700	561995634	/nfs/dbraw/zinc/99/56/34/561995634.db2.gz	FPEODYSPDCNTCE-UHFFFAOYSA-N	2	1	534.651	3.943	1	0		KHAFMP
O=c1c2c(n(Cc3c(F)cccc3F)c(=O)n1CC[N@H+]1CCc3ccccc3C1)CC[NH+](CC1CCCC1)C2	ZINC000029060700	561995633	/nfs/dbraw/zinc/99/56/33/561995633.db2.gz	FPEODYSPDCNTCE-UHFFFAOYSA-N	2	1	534.651	3.943	1	0		KHAFMP
Cc1ccc(N2CCN(C(=O)[C@@H]3C[N@H+](C4CCOCC4)C[C@H]3c3ccc(Cl)cc3)CC2)c([C@@H](NC(=O)C[NH3+])C(C)C)c1	ZINC000029130977	562002927	/nfs/dbraw/zinc/00/29/27/562002927.db2.gz	YBORROWXCFESBC-LBRLCBGXSA-N	2	1	596.216	3.964	1	0		KHAFMP
CC(C)[C@H](NC(=O)CC[NH+](C)C)c1cccc(F)c1N1CCN(C(=O)[C@@H]2C[N@H+](C(C)C)C[C@H]2c2ccoc2)CC1	ZINC000029131456	562002991	/nfs/dbraw/zinc/00/29/91/562002991.db2.gz	BSDWQYNASNMKHX-HFASVGIHSA-N	2	1	555.739	3.956	1	0		KHAFMP
CC(=O)Nc1ccc2c(c1)C[NH2+][C@@H](C(=O)N[C@H](C[N@H+]1CC[C@@](C)(c3cccc(O)c3)[C@@H](C)C1)C(C)C)C2	ZINC000029134314	562004079	/nfs/dbraw/zinc/00/40/79/562004079.db2.gz	TYZQIZPTTJMOGI-VCLLDZPSSA-N	2	1	506.691	3.805	1	0		KHAFMP
CC(=O)Nc1ccc2c(c1)C[NH2+][C@@H](C(=O)N[C@H](C[N@@H+]1CC[C@@](C)(c3cccc(O)c3)[C@@H](C)C1)C(C)C)C2	ZINC000029134314	562004077	/nfs/dbraw/zinc/00/40/77/562004077.db2.gz	TYZQIZPTTJMOGI-VCLLDZPSSA-N	2	1	506.691	3.805	1	0		KHAFMP
COC(=O)C[NH2+]C12C[C@@H]3C[C@@H](CC(NC(=O)[C@@H](CCCC[NH3+])NC(=O)OCC4c5ccccc5-c5ccccc54)(C3)C1)C2	ZINC000029334228	562014135	/nfs/dbraw/zinc/01/41/35/562014135.db2.gz	AVRVTQLIGHQTOM-GZOZYUJXSA-N	2	1	588.749	3.993	1	0		KHAFMP
C[NH2+]C[C@@H](Cc1ccccc1)N(C)C[C@@H](Cc1ccc(O)cc1)N(C)C[C@@H](Cc1ccc(O)cc1)[NH+](C)C	ZINC000034026762	562038111	/nfs/dbraw/zinc/03/81/11/562038111.db2.gz	LLNODVNPBWSKLU-IDZRBWSNSA-N	2	1	518.746	3.876	1	0		KHAFMP
C[NH2+]C[C@@H](Cc1ccccc1)N(C)C[C@@H](Cc1ccc(O)cc1)[N@@H+](C)C[C@@H](Cc1ccc(O)cc1)N(C)C	ZINC000034026762	562038109	/nfs/dbraw/zinc/03/81/09/562038109.db2.gz	LLNODVNPBWSKLU-IDZRBWSNSA-N	2	1	518.746	3.876	1	0		KHAFMP
C[NH2+]C[C@H](Cc1ccccc1)N(C)C[C@@H](Cc1ccc(O)cc1)N(C)C[C@@H](Cc1ccc(O)cc1)[NH+](C)C	ZINC000034026763	562038070	/nfs/dbraw/zinc/03/80/70/562038070.db2.gz	LLNODVNPBWSKLU-FRXPANAUSA-N	2	1	518.746	3.876	1	0		KHAFMP
C[NH2+]C[C@H](Cc1ccccc1)N(C)C[C@@H](Cc1ccc(O)cc1)[N@@H+](C)C[C@@H](Cc1ccc(O)cc1)N(C)C	ZINC000034026763	562038069	/nfs/dbraw/zinc/03/80/69/562038069.db2.gz	LLNODVNPBWSKLU-FRXPANAUSA-N	2	1	518.746	3.876	1	0		KHAFMP
[NH3+]CCCC[C@H](NC(=O)OCc1ccccc1)C(=O)c1noc(CN2CC[NH+](CCCCc3ccccc3)CC2)n1	ZINC000034804020	562042902	/nfs/dbraw/zinc/04/29/02/562042902.db2.gz	NGEVXLYYUCTKSC-MHZLTWQESA-N	2	1	562.715	3.817	1	0		KHAFMP
O=c1[nH]c2c(s1)c([C@@H](O)C[NH2+]CCSCCC[NH2+]CCc1cccc(C(F)(F)F)c1)ccc2O	ZINC000034946179	562044110	/nfs/dbraw/zinc/04/41/10/562044110.db2.gz	FKVLSJZELYFVGN-IBGZPJMESA-N	2	1	515.623	3.893	1	0		KHAFMP
C[NH2+]C[C@@H](Cc1ccccc1)N(C)C[C@H](Cc1ccc(O)cc1)N(C)C[C@@H](Cc1ccc(O)cc1)[NH+](C)C	ZINC000036216229	562051285	/nfs/dbraw/zinc/05/12/85/562051285.db2.gz	LLNODVNPBWSKLU-OCBJUFRSSA-N	2	1	518.746	3.876	1	0		KHAFMP
C[NH2+]C[C@@H](Cc1ccccc1)N(C)C[C@H](Cc1ccc(O)cc1)[N@@H+](C)C[C@@H](Cc1ccc(O)cc1)N(C)C	ZINC000036216229	562051283	/nfs/dbraw/zinc/05/12/83/562051283.db2.gz	LLNODVNPBWSKLU-OCBJUFRSSA-N	2	1	518.746	3.876	1	0		KHAFMP
C[NH2+]C[C@@H](Cc1ccccc1)N(C)C[C@@H](Cc1ccc(O)cc1)N(C)C[C@H](Cc1ccc(O)cc1)[NH+](C)C	ZINC000036216338	562051212	/nfs/dbraw/zinc/05/12/12/562051212.db2.gz	LLNODVNPBWSKLU-DYIKCSJPSA-N	2	1	518.746	3.876	1	0		KHAFMP
C[NH2+]C[C@@H](Cc1ccccc1)N(C)C[C@@H](Cc1ccc(O)cc1)[N@@H+](C)C[C@H](Cc1ccc(O)cc1)N(C)C	ZINC000036216338	562051210	/nfs/dbraw/zinc/05/12/10/562051210.db2.gz	LLNODVNPBWSKLU-DYIKCSJPSA-N	2	1	518.746	3.876	1	0		KHAFMP
C[NH2+]C[C@H](Cc1ccccc1)N(C)C[C@H](Cc1ccc(O)cc1)N(C)C[C@H](Cc1ccc(O)cc1)[NH+](C)C	ZINC000036216344	562051271	/nfs/dbraw/zinc/05/12/71/562051271.db2.gz	LLNODVNPBWSKLU-DTXPUJKBSA-N	2	1	518.746	3.876	1	0		KHAFMP
C[NH2+]C[C@H](Cc1ccccc1)N(C)C[C@H](Cc1ccc(O)cc1)[N@@H+](C)C[C@H](Cc1ccc(O)cc1)N(C)C	ZINC000036216344	562051269	/nfs/dbraw/zinc/05/12/69/562051269.db2.gz	LLNODVNPBWSKLU-DTXPUJKBSA-N	2	1	518.746	3.876	1	0		KHAFMP
C[NH2+]C[C@H](Cc1ccccc1)N(C)C[C@H](Cc1ccc(O)cc1)N(C)C[C@@H](Cc1ccc(O)cc1)[NH+](C)C	ZINC000036216348	562051252	/nfs/dbraw/zinc/05/12/52/562051252.db2.gz	LLNODVNPBWSKLU-JBOQNHBVSA-N	2	1	518.746	3.876	1	0		KHAFMP
C[NH2+]C[C@H](Cc1ccccc1)N(C)C[C@H](Cc1ccc(O)cc1)[N@@H+](C)C[C@@H](Cc1ccc(O)cc1)N(C)C	ZINC000036216348	562051251	/nfs/dbraw/zinc/05/12/51/562051251.db2.gz	LLNODVNPBWSKLU-JBOQNHBVSA-N	2	1	518.746	3.876	1	0		KHAFMP
C[C@H](N[C@@H]1CCC[NH2+]C1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]([NH3+])c2ccccc2)CC1	ZINC000036269914	562053064	/nfs/dbraw/zinc/05/30/64/562053064.db2.gz	FSKFKMCMKZGDFB-VTOGGDPJSA-N	2	1	603.211	3.819	1	0		KHAFMP
[NH3+]CCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ncccc2C[NH2+]Cc2ccccc2F)CC1	ZINC000036284752	562053379	/nfs/dbraw/zinc/05/33/79/562053379.db2.gz	CKRLLVWUKJKYBX-AREMUKBSSA-N	2	1	587.527	3.542	1	0		KHAFMP
CC[NH+](CC)CC1(N2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)[C@H]3Cc4ccccc4C[NH2+]3)CC2)CCCC1	ZINC000036285069	562053775	/nfs/dbraw/zinc/05/37/75/562053775.db2.gz	NQKOOIJJWDMYSO-LOYHVIPDSA-N	2	1	580.217	3.881	1	0		KHAFMP
CC(C)C1([NH+]2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)C[C@H]3[NH2+]Cc4ccccc43)CC2)CCN(C)CC1	ZINC000036285203	562053964	/nfs/dbraw/zinc/05/39/64/562053964.db2.gz	HZXFJUQBLJSHSL-FQLXRVMXSA-N	2	1	566.190	3.867	1	0		KHAFMP
CC(C)C1([NH+]2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)C[C@@H]3[NH2+]Cc4ccccc43)CC2)CCN(C)CC1	ZINC000036285207	562053929	/nfs/dbraw/zinc/05/39/29/562053929.db2.gz	HZXFJUQBLJSHSL-URLMMPGGSA-N	2	1	566.190	3.867	1	0		KHAFMP
C[NH2+]C[C@@H]1CCCN1C[C@H](Cc1ccccc1)[N@@H+](C)C[C@H](Cc1ccc(O)cc1)N(C)C[C@@H]([NH3+])Cc1ccc(O)cc1	ZINC000038147599	562065619	/nfs/dbraw/zinc/06/56/19/562065619.db2.gz	DGPYFRPOLFFYGM-YRCZKMHPSA-N	3	1	573.826	3.738	1	0		KHAFMP
C[NH2+]C[C@@H]1CCCN1C[C@H](Cc1ccccc1)[N@@H+](C)C[C@H](Cc1ccc(O)cc1)N(C)C[C@H](Cc1ccc(O)cc1)[NH2+]C	ZINC000038147600	562065651	/nfs/dbraw/zinc/06/56/51/562065651.db2.gz	KXVDQEBWXOUYEM-CUPIEXAXSA-N	3	1	587.853	3.998	1	0		KHAFMP
COc1ccc(S(=O)(=O)NCCCN2CC[NH+](CCCNc3cc[nH+]c4cc(Cl)ccc34)CC2)cc1	ZINC000040567287	562078178	/nfs/dbraw/zinc/07/81/78/562078178.db2.gz	FZGHOAKEZKBLDJ-UHFFFAOYSA-N	2	1	532.110	3.685	1	0		KHAFMP
C[NH+](C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H]([NH2+]Cc2ccc3[nH]ccc3c2)C1	ZINC000040918999	562084484	/nfs/dbraw/zinc/08/44/84/562084484.db2.gz	RLHHXPKOCQVXFH-YFNKSVMNSA-N	2	1	515.580	3.674	1	0		KHAFMP
C[NH+](C)[C@@H]1CC[C@@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H]([NH2+]Cc2ccc3[nH]ccc3c2)C1	ZINC000040919001	562084489	/nfs/dbraw/zinc/08/44/89/562084489.db2.gz	RLHHXPKOCQVXFH-GMKZXUHWSA-N	2	1	515.580	3.674	1	0		KHAFMP
O=C(NC1CC[NH+](Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1)N1CC([N@H+]2CCCOCC2)C1	ZINC000043062022	562645221	/nfs/dbraw/zinc/64/52/21/562645221.db2.gz	SGJZGUFWKZGFBS-UHFFFAOYSA-N	2	1	505.585	3.577	1	0		KHAFMP
O=C(NC1CC[NH+](Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1)N1CC([N@@H+]2CCCOCC2)C1	ZINC000043062022	562645220	/nfs/dbraw/zinc/64/52/20/562645220.db2.gz	SGJZGUFWKZGFBS-UHFFFAOYSA-N	2	1	505.585	3.577	1	0		KHAFMP
CC[NH+](CC)CCN(CC[NH2+]CCc1ccc(O)c2[nH]c(=O)sc21)C(=O)CCOCCc1cccc(Cl)c1	ZINC000043152353	562646395	/nfs/dbraw/zinc/64/63/95/562646395.db2.gz	UKQMXAXNUVODBZ-UHFFFAOYSA-N	2	1	563.164	3.901	1	0		KHAFMP
COc1cc(OC)c2c(=O)cc(-c3ccc(OCCC[NH+]4CCN(C)CC4)c(NC(=O)CCC[NH+](C)C)c3)n(C)c2c1	ZINC000044351867	562654883	/nfs/dbraw/zinc/65/48/83/562654883.db2.gz	UHNHLGOBWISPEZ-UHFFFAOYSA-N	2	1	579.742	3.519	1	0		KHAFMP
Oc1ccc(CCNc2nc(N3CC[NH2+]CC3)nc(NCCCOc3ccccc3-c3cccnc3)[nH+]2)cc1	ZINC000045187028	562658225	/nfs/dbraw/zinc/65/82/25/562658225.db2.gz	AWFASRKIBISZRC-UHFFFAOYSA-N	2	1	526.645	3.584	1	0		KHAFMP
COc1ccc(C[NH2+]C2CC[NH+](C)CC2)cc1-c1ccc(S(=O)(=O)NCCc2ccccn2)c(C)c1	ZINC000045188237	562658278	/nfs/dbraw/zinc/65/82/78/562658278.db2.gz	JWFVGQILHFPLGG-UHFFFAOYSA-N	2	1	508.688	3.770	1	0		KHAFMP
Oc1ccc(CCNc2nc(N3CC[NH2+]CC3)nc(NCc3cccc(OCc4cccc(F)c4)c3)[nH+]2)cc1	ZINC000045192055	562658665	/nfs/dbraw/zinc/65/86/65/562658665.db2.gz	TWBNWESQAMHNNG-UHFFFAOYSA-N	2	1	529.620	3.972	1	0		KHAFMP
COc1ccc(C[NH2+]C2CC[NH+](C)CC2)cc1-c1ccc(S(=O)(=O)NCCc2ccccn2)c(F)c1	ZINC000045201071	562658968	/nfs/dbraw/zinc/65/89/68/562658968.db2.gz	JQZJDTMVVBCGRU-UHFFFAOYSA-N	2	1	512.651	3.601	1	0		KHAFMP
COc1ccc(-c2ccccc2CNc2nc(N3CC[NH2+]CC3)nc(NCCc3ccc(O)cc3)[nH+]2)cc1	ZINC000045228273	562659455	/nfs/dbraw/zinc/65/94/55/562659455.db2.gz	QFAJGBXYVRDGRZ-UHFFFAOYSA-N	2	1	511.630	3.929	1	0		KHAFMP
COc1ccc(C[NH2+]C2CC[NH+](C)CC2)cc1-c1ccc(S(=O)(=O)NCCc2ccccn2)s1	ZINC000045228401	562659469	/nfs/dbraw/zinc/65/94/69/562659469.db2.gz	MXXUKVSWTDEVOI-UHFFFAOYSA-N	2	1	500.690	3.524	1	0		KHAFMP
Oc1ccc(CCNc2nc(N3CC[NH2+]CC3)nc(NCCCOc3ccccc3-c3ccncc3)[nH+]2)cc1	ZINC000045302464	562660685	/nfs/dbraw/zinc/66/06/85/562660685.db2.gz	DLLKELHOHCAYJN-UHFFFAOYSA-N	2	1	526.645	3.584	1	0		KHAFMP
C[NH+](C)CCNC(=O)c1ccc(-c2cccc3c4ccccc4sc32)nc1N1CC[NH+](CCO)CC1	ZINC000045303348	562660844	/nfs/dbraw/zinc/66/08/44/562660844.db2.gz	WGBGKNHEEVEMKC-UHFFFAOYSA-N	2	1	503.672	3.522	1	0		KHAFMP
Oc1ccc(CCNc2nc(N3CC[NH2+]CC3)nc(NCCOc3ccccc3-c3ccccc3)[nH+]2)cc1	ZINC000045322331	562661087	/nfs/dbraw/zinc/66/10/87/562661087.db2.gz	XVVJARDMRIZKSJ-UHFFFAOYSA-N	2	1	511.630	3.799	1	0		KHAFMP
O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CC[N@@H+](CCC2CC[NH+](Cc3ccccc3)CC2)C1	ZINC000049087615	562664309	/nfs/dbraw/zinc/66/43/09/562664309.db2.gz	WAVMYCLLYYFACJ-RUZDIDTESA-N	2	1	516.608	3.928	1	0		KHAFMP
Oc1ccc(CCNc2nc(N3CC[NH2+]CC3)nc(NCCCOc3cc(C[NH+]4CCCCC4)ccc3F)[nH+]2)cc1	ZINC000049605038	562665275	/nfs/dbraw/zinc/66/52/75/562665275.db2.gz	PSWBNJFNFTVZSF-UHFFFAOYSA-N	3	1	564.710	3.647	1	0		KHAFMP
O=C(NCc1cccc(C[NH+]2CCOCC2)c1)c1cc(Br)cc(N2CCN(c3cc[nH+]cc3)CC2)c1	ZINC000049614038	562666521	/nfs/dbraw/zinc/66/65/21/562666521.db2.gz	KOVPBJXAHVHGET-UHFFFAOYSA-N	2	1	550.501	3.933	1	0		KHAFMP
COc1cc2c(cc1OC)C[NH+](CCC(=O)OCCC[N@@H+](C)CCCOC(=O)/C=C/c1cc(OC)c(OC)c(OC)c1)CC2	ZINC000049649413	562667966	/nfs/dbraw/zinc/66/79/66/562667966.db2.gz	SOKBSOAAOZWMFK-MDZDMXLPSA-N	2	1	614.736	3.990	1	0		KHAFMP
COc1cc2c(cc1OC)C[NH+](CCC(=O)OCCC[N@H+](C)CCCOC(=O)/C=C/c1cc(OC)c(OC)c(OC)c1)CC2	ZINC000049649413	562667965	/nfs/dbraw/zinc/66/79/65/562667965.db2.gz	SOKBSOAAOZWMFK-MDZDMXLPSA-N	2	1	614.736	3.990	1	0		KHAFMP
COc1cc2c(cc1OC)C[N@@H+](CCC(=O)OCCC[NH+](C)CCCOC(=O)/C=C/c1cc(OC)c(OC)c(OC)c1)CC2	ZINC000049649413	562667964	/nfs/dbraw/zinc/66/79/64/562667964.db2.gz	SOKBSOAAOZWMFK-MDZDMXLPSA-N	2	1	614.736	3.990	1	0		KHAFMP
COc1cc2c(cc1OC)C[N@H+](CCC(=O)OCCC[NH+](C)CCCOC(=O)/C=C/c1cc(OC)c(OC)c(OC)c1)CC2	ZINC000049649413	562667963	/nfs/dbraw/zinc/66/79/63/562667963.db2.gz	SOKBSOAAOZWMFK-MDZDMXLPSA-N	2	1	614.736	3.990	1	0		KHAFMP
CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCC[NH+]4CCCCC4)c3)nn2C[C@H](O)CN2CC[NH+](C3CC3)CC2)C1	ZINC000049780798	562682242	/nfs/dbraw/zinc/68/22/42/562682242.db2.gz	VWCGGRXEDBVLOO-RUZDIDTESA-N	2	1	670.868	3.606	1	0		KHAFMP
CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCC[NH+]4CCCCC4)c3)nn2C[C@@H](O)CN2CC[NH+](C3CC3)CC2)C1	ZINC000049780799	562682217	/nfs/dbraw/zinc/68/22/17/562682217.db2.gz	VWCGGRXEDBVLOO-VWLOTQADSA-N	2	1	670.868	3.606	1	0		KHAFMP
C[NH+]1CCN(CCSc2cc(-c3nn(CCC[NH+]4CCC(N5CCCC5=O)CC4)c4c3CN(S(C)(=O)=O)CC4)ccc2C(F)(F)F)CC1	ZINC000049793919	562685296	/nfs/dbraw/zinc/68/52/96/562685296.db2.gz	HXLZKNXUQROSDU-UHFFFAOYSA-N	2	1	711.921	3.703	1	0		KHAFMP
CN1CC[NH+](CCSc2cc(-c3nn(CCC[NH+]4CCC(N5CCCC5=O)CC4)c4c3CN(S(C)(=O)=O)CC4)ccc2C(F)(F)F)CC1	ZINC000049793919	562685295	/nfs/dbraw/zinc/68/52/95/562685295.db2.gz	HXLZKNXUQROSDU-UHFFFAOYSA-N	2	1	711.921	3.703	1	0		KHAFMP
C[NH+](C)C1CC[NH+](C[C@H](O)Cn2nc(-c3ccc(C(F)(F)F)c(SCC[NH+]4CCCCC4)c3)c3c2CCN(S(C)(=O)=O)C3)CC1	ZINC000049802152	562685525	/nfs/dbraw/zinc/68/55/25/562685525.db2.gz	DESSXJDVZNFNFS-VWLOTQADSA-N	3	1	672.884	3.852	1	0		KHAFMP
C[NH+](C)C1CC[NH+](C[C@@H](O)Cn2nc(-c3ccc(C(F)(F)F)c(SCC[NH+]4CCCCC4)c3)c3c2CCN(S(C)(=O)=O)C3)CC1	ZINC000049802153	562685481	/nfs/dbraw/zinc/68/54/81/562685481.db2.gz	DESSXJDVZNFNFS-RUZDIDTESA-N	3	1	672.884	3.852	1	0		KHAFMP
[NH3+]CC(=O)OCc1ccc(-c2cn(Cc3c(F)cccc3C(F)(F)F)c(=O)n(C[C@H]([NH3+])c3ccccc3)c2=O)cc1	ZINC000049889035	562691742	/nfs/dbraw/zinc/69/17/42/562691742.db2.gz	SYBXHLIANYBTCO-VWLOTQADSA-N	2	1	570.543	3.585	1	0		KHAFMP
O=C1C[C@@H]2OCC=C3C[N@H+]4[C@@H](C5=C[C@@H]6[C@@H]7N(c8ccccc8[C@@]78CC[NH+]7C/C(=C/CO)[C@@H]6C[C@H]78)C5=O)C[C@]56c7ccccc7N1[C@H]5[C@@H]2[C@H]3C[C@H]46	ZINC000049889426	562692084	/nfs/dbraw/zinc/69/20/84/562692084.db2.gz	MMKIAHOGFMPKCT-YDBFCOOGSA-N	2	1	666.822	3.697	1	0		KHAFMP
O=C1C[C@@H]2OCC=C3C[N@@H+]4[C@@H](C5=C[C@@H]6[C@@H]7N(c8ccccc8[C@@]78CC[NH+]7C/C(=C/CO)[C@@H]6C[C@H]78)C5=O)C[C@]56c7ccccc7N1[C@H]5[C@@H]2[C@H]3C[C@H]46	ZINC000049889426	562692083	/nfs/dbraw/zinc/69/20/83/562692083.db2.gz	MMKIAHOGFMPKCT-YDBFCOOGSA-N	2	1	666.822	3.697	1	0		KHAFMP
O=C1C[C@@H]2OCC=C3C[NH+]4[C@@H](C5=C[C@@H]6[C@@H]7N(c8ccccc8[C@@]78CC[N@@H+]7C/C(=C/CO)[C@@H]6C[C@H]78)C5=O)C[C@]56c7ccccc7N1[C@H]5[C@@H]2[C@H]3C[C@H]46	ZINC000049889426	562692082	/nfs/dbraw/zinc/69/20/82/562692082.db2.gz	MMKIAHOGFMPKCT-YDBFCOOGSA-N	2	1	666.822	3.697	1	0		KHAFMP
Cc1c(C[NH+]2CCCCC2)cccc1OCCCNc1nc(N2CC[NH2+]CC2)nc(NCCc2ccc(O)cc2)[nH+]1	ZINC000049917552	562693591	/nfs/dbraw/zinc/69/35/91/562693591.db2.gz	XIHNCBPDIIZWOT-UHFFFAOYSA-N	3	1	560.747	3.817	1	0		KHAFMP
Nc1cccc(NC(=O)c2cccc(C(=O)Nc3cccc(NC(=O)[C@H](N)Cc4cccnc4)c3SCC[NH3+])c2)c1SCC[NH3+]	ZINC000049938263	562695169	/nfs/dbraw/zinc/69/51/69/562695169.db2.gz	SARKAELUOKMNHF-XMMPIXPASA-N	2	1	644.827	3.779	1	0		KHAFMP
C[NH+]1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@@H]2Cc1c2c([nH]c1[C@@H]3O5)[C@@H]1Oc3c4c(ccc3O)C[C@H]3[N@H+](CC5CC5)CC[C@]41[C@@]3(O)C2	ZINC000058512473	562698454	/nfs/dbraw/zinc/69/84/54/562698454.db2.gz	VECXQDCLXMGFFX-NWLHHKGPSA-N	2	1	605.735	3.929	1	0		KHAFMP
C[NH+]1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@@H]2Cc1c2c([nH]c1[C@@H]3O5)[C@@H]1Oc3c4c(ccc3O)C[C@H]3[N@@H+](CC5CC5)CC[C@]41[C@@]3(O)C2	ZINC000058512473	562698453	/nfs/dbraw/zinc/69/84/53/562698453.db2.gz	VECXQDCLXMGFFX-NWLHHKGPSA-N	2	1	605.735	3.929	1	0		KHAFMP
C[N@H+]1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@@H]2Cc1c2c([nH]c1[C@@H]3O5)[C@@H]1Oc3c4c(ccc3O)C[C@H]3[NH+](CC5CC5)CC[C@]41[C@@]3(O)C2	ZINC000058512473	562698452	/nfs/dbraw/zinc/69/84/52/562698452.db2.gz	VECXQDCLXMGFFX-NWLHHKGPSA-N	2	1	605.735	3.929	1	0		KHAFMP
COC(=O)C[NH2+]C12C[C@@H]3C[C@@H](CC(NC(=O)[C@H](CCCC[NH3+])NC(=O)OCC4c5ccccc5-c5ccccc54)(C3)C1)C2	ZINC000058562385	562699366	/nfs/dbraw/zinc/69/93/66/562699366.db2.gz	AVRVTQLIGHQTOM-ROLUQURLSA-N	2	1	588.749	3.993	1	0		KHAFMP
COc1cc2c(cc1OCCCCCC[NH+](C)C)nc(N1CCC[N@@H+](C)CC1)nc2NC1CC[NH+](C)CC1	ZINC000058574814	562699582	/nfs/dbraw/zinc/69/95/82/562699582.db2.gz	GNLRWJSPQSAOPT-UHFFFAOYSA-N	3	1	527.758	3.787	1	0		KHAFMP
COc1cc2c(cc1OCCCCNC(=O)OC(C)(C)C)nc(N1CCC[N@@H+](C)CC1)nc2NC1CC[NH+](C)CC1	ZINC000058623794	562701110	/nfs/dbraw/zinc/70/11/10/562701110.db2.gz	ZLSPQJVMSJLXQQ-UHFFFAOYSA-N	2	1	571.767	3.970	1	0		KHAFMP
CCC[NH+]1CCC(N2C[C@@H]([NH2+]C3CC[NH+](CCc4ccccc4)CC3)C[C@H]2C(=O)NCCc2ccc3c(c2)OCO3)CC1	ZINC000058626660	562701096	/nfs/dbraw/zinc/70/10/96/562701096.db2.gz	FPPPFGQMLPQQNA-CDZUIXILSA-N	3	1	589.825	3.688	1	0		KHAFMP
COc1cc2c(cc1OCCCCC[NH3+])[nH+]c(NCCC[NH+](C)C)nc2NC1CC[NH+](CCCCC[NH3+])CC1	ZINC000058633454	562701186	/nfs/dbraw/zinc/70/11/86/562701186.db2.gz	DCGOBPRQIYFVOD-UHFFFAOYSA-N	5	1	544.789	3.515	1	0	in-vitro	KHAFMP
COC[C@H]1O[C@@H](OCc2ccc3ccccc3c2)[C@H]([NH2+]CCC[NH3+])[C@@H](OCc2ccc(Cl)cc2)[C@@H]1O	ZINC000064426540	562705135	/nfs/dbraw/zinc/70/51/35/562705135.db2.gz	CIBCLOVNEMIEGJ-JQPIIJRMSA-N	2	1	515.050	3.634	1	0		KHAFMP
COC[C@H]1O[C@@H](OCc2ccc3ccccc3c2)[C@H]([NH2+]CCC[NH3+])[C@H](OCc2ccc(Cl)cc2)[C@@H]1O	ZINC000064426542	562705101	/nfs/dbraw/zinc/70/51/01/562705101.db2.gz	CIBCLOVNEMIEGJ-VNFNVIIVSA-N	2	1	515.050	3.634	1	0		KHAFMP
COC[C@H]1O[C@H](OCc2ccc3ccccc3c2)[C@H]([NH2+]CCC[NH3+])[C@@H](OCc2ccc(Cl)cc2)[C@@H]1O	ZINC000064426545	562705107	/nfs/dbraw/zinc/70/51/07/562705107.db2.gz	CIBCLOVNEMIEGJ-FXGKLIOSSA-N	2	1	515.050	3.634	1	0		KHAFMP
COC[C@H]1O[C@H](OCc2ccc3ccccc3c2)[C@H]([NH2+]CCC[NH3+])[C@H](OCc2ccc(Cl)cc2)[C@@H]1O	ZINC000064426547	562705133	/nfs/dbraw/zinc/70/51/33/562705133.db2.gz	CIBCLOVNEMIEGJ-QXLMEFJZSA-N	2	1	515.050	3.634	1	0		KHAFMP
c1ccc2c(c1)cc(-c1ccc(C[NH2+]CCCN3CCOCC3)nc1)cc2NCCC[NH+]1CCOCC1	ZINC000064516244	562706512	/nfs/dbraw/zinc/70/65/12/562706512.db2.gz	CIBGPVYQSFBUIH-UHFFFAOYSA-N	2	1	503.691	3.848	1	0		KHAFMP
CC(C)[C@H](NC(=O)[C@H](C)[NH3+])C(=O)N1CCC[N@H+](C2CCCCC2)C[C@@H]1C(=O)NC(c1ccccc1)c1ccccc1	ZINC000066076745	562710193	/nfs/dbraw/zinc/71/01/93/562710193.db2.gz	YZBDJKDDJQURIV-DOUMQJFESA-N	2	1	561.771	3.616	1	0		KHAFMP
CC(C)[C@H](NC(=O)[C@H](C)[NH3+])C(=O)N1CCC[N@H+](C2CCCCC2)C[C@H]1C(=O)NC(c1ccccc1)c1ccccc1	ZINC000066076747	562710204	/nfs/dbraw/zinc/71/02/04/562710204.db2.gz	YZBDJKDDJQURIV-GHPJVDHGSA-N	2	1	561.771	3.616	1	0		KHAFMP
Cn1c2ccccc2c2c1CC[N@@H+](C1CCN(C(=O)C3(F)CC[NH+](Cc4ccnc(N)c4)CC3)CC1)CC2	ZINC000068200748	562715922	/nfs/dbraw/zinc/71/59/22/562715922.db2.gz	VBAGFAWQNDYXGA-UHFFFAOYSA-N	2	1	518.681	3.551	1	0		KHAFMP
[NH3+][C@@H](CC(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)C(=O)N1Cc2ccc(F)cc2C1	ZINC000072106431	562721053	/nfs/dbraw/zinc/72/10/53/562721053.db2.gz	WZHIVIJNGGDJEB-SANMLTNESA-N	2	1	522.571	3.597	1	0		KHAFMP
COc1cc2c(cc1OCCC[NH+]1CCCC1)nc(N1CCC[N@@H+](C)CC1)nc2NC1CC[NH+](C(C)C)CC1	ZINC000072114802	562722836	/nfs/dbraw/zinc/72/28/36/562722836.db2.gz	OGVKUDUEUSWORS-UHFFFAOYSA-N	3	1	539.769	3.930	1	0		KHAFMP
COc1cc2c(cc1OCCOCC[NH+]1CCCC1)nc(N1CCC[N@@H+](C)CC1)nc2NC1CC[NH+](C(C)C)CC1	ZINC000072121503	562724297	/nfs/dbraw/zinc/72/42/97/562724297.db2.gz	FOEIKTXMJLWETJ-UHFFFAOYSA-N	3	1	569.795	3.556	1	0		KHAFMP
COc1cc2c(cc1OCCOCC[NH+]1CCCC1)[nH+]c(N1CCCCC1)nc2NC1CC[NH+](C)CC1	ZINC000072122036	562724313	/nfs/dbraw/zinc/72/43/13/562724313.db2.gz	GFZRTYAWRPYPRN-UHFFFAOYSA-N	3	1	512.699	3.626	1	0		KHAFMP
NC(=[NH2+])Nc1ccc(C[C@H](N)C(=O)N[C@@H](Cc2ccc(-c3ccccc3)cc2)C(=O)N[C@@H](Cc2ccc(NC(N)=[NH2+])cc2)C(=O)NCc2ccccc2)cc1	ZINC000072129915	562726583	/nfs/dbraw/zinc/72/65/83/562726583.db2.gz	SGBUNANFYAIBCR-FSEITFBQSA-N	2	1	738.897	3.606	1	0		KHAFMP
CN1CC[NH+](CCC(=O)N2CCC3([NH+]4CCN(C)CC4)C[C@@H](c4ccccc4)C2[C@H](c2ccccc2)C3)CC1	ZINC000073198839	562735886	/nfs/dbraw/zinc/73/58/86/562735886.db2.gz	YPLFYXYOKQRRAG-GNWHWUCQSA-N	2	1	529.773	3.572	1	0		KHAFMP
CN1CC[NH+](CCC(=O)N2CCC3([NH+]4CCN(C)CC4)C[C@H](c4ccccc4)C2[C@@H](c2ccccc2)C3)CC1	ZINC000073198840	562735875	/nfs/dbraw/zinc/73/58/75/562735875.db2.gz	YPLFYXYOKQRRAG-BLBFUENDSA-N	2	1	529.773	3.572	1	0		KHAFMP
Cc1cc(O)cc(C)c1C[C@@H](C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCC(=O)OC1=C2O[C@H]3[C@@H](O)C=C[C@H]4[C@H]5C[C@@H](C=C1)[C@@H]2[C@@]34CC[N@H+]5C)[NH+](C)C	ZINC000082136163	562738918	/nfs/dbraw/zinc/73/89/18/562738918.db2.gz	RYHSGCXJLCXQNY-BHIIZCCYSA-N	2	1	736.910	3.538	1	0		KHAFMP
Cc1cc(O)cc(C)c1C[C@@H](C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCC(=O)OC1=C2O[C@H]3[C@@H](O)C=C[C@H]4[C@H]5C[C@@H](C=C1)[C@@H]2[C@@]34CC[N@@H+]5C)[NH+](C)C	ZINC000082136163	562738917	/nfs/dbraw/zinc/73/89/17/562738917.db2.gz	RYHSGCXJLCXQNY-BHIIZCCYSA-N	2	1	736.910	3.538	1	0		KHAFMP
Cc1cc(O)cc(C)c1C[C@@H](C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCC(=O)OC1=C2O[C@H]3[C@@H](O)C=C[C@H]4[C@H]5C[C@@H](C=C1)[C@H]2[C@@]34CC[N@H+]5C)[NH+](C)C	ZINC000082136166	562738928	/nfs/dbraw/zinc/73/89/28/562738928.db2.gz	RYHSGCXJLCXQNY-BPQGAVCVSA-N	2	1	736.910	3.538	1	0		KHAFMP
Cc1cc(O)cc(C)c1C[C@@H](C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCC(=O)OC1=C2O[C@H]3[C@@H](O)C=C[C@H]4[C@H]5C[C@@H](C=C1)[C@H]2[C@@]34CC[N@@H+]5C)[NH+](C)C	ZINC000082136166	562738927	/nfs/dbraw/zinc/73/89/27/562738927.db2.gz	RYHSGCXJLCXQNY-BPQGAVCVSA-N	2	1	736.910	3.538	1	0		KHAFMP
Cc1cc(O)cc(C)c1C[C@@H](C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCC(=O)OC1=C2O[C@H]3[C@@H](O)C=C[C@H]4[C@H]5C[C@H](C=C1)[C@@H]2[C@@]34CC[N@H+]5C)[NH+](C)C	ZINC000082136168	562738890	/nfs/dbraw/zinc/73/88/90/562738890.db2.gz	RYHSGCXJLCXQNY-RLGMKUBISA-N	2	1	736.910	3.538	1	0		KHAFMP
Cc1cc(O)cc(C)c1C[C@@H](C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCC(=O)OC1=C2O[C@H]3[C@@H](O)C=C[C@H]4[C@H]5C[C@H](C=C1)[C@@H]2[C@@]34CC[N@@H+]5C)[NH+](C)C	ZINC000082136168	562738889	/nfs/dbraw/zinc/73/88/89/562738889.db2.gz	RYHSGCXJLCXQNY-RLGMKUBISA-N	2	1	736.910	3.538	1	0		KHAFMP
Cc1cc(O)cc(C)c1C[C@@H](C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCC(=O)OC1=C2O[C@H]3[C@@H](O)C=C[C@H]4[C@H]5C[C@H](C=C1)[C@H]2[C@@]34CC[N@H+]5C)[NH+](C)C	ZINC000082136172	562738914	/nfs/dbraw/zinc/73/89/14/562738914.db2.gz	RYHSGCXJLCXQNY-VJHFPMCYSA-N	2	1	736.910	3.538	1	0		KHAFMP
Cc1cc(O)cc(C)c1C[C@@H](C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCC(=O)OC1=C2O[C@H]3[C@@H](O)C=C[C@H]4[C@H]5C[C@H](C=C1)[C@H]2[C@@]34CC[N@@H+]5C)[NH+](C)C	ZINC000082136172	562738913	/nfs/dbraw/zinc/73/89/13/562738913.db2.gz	RYHSGCXJLCXQNY-VJHFPMCYSA-N	2	1	736.910	3.538	1	0		KHAFMP
Oc1ccc2c3c1O[C@@H]1c4[nH]c5c(c4C[C@@]4(O)[C@@H](C2)[NH+](CC2CC2)CC[C@]314)C[C@@]1(O)[C@H]2Cc3ccc(O)c4c3[C@@]1(CC[N@@H+]2CC1CC1)[C@@H]5O4	ZINC000084544150	562743287	/nfs/dbraw/zinc/74/32/87/562743287.db2.gz	APSUXPSYBJVPPS-IAKFOTRASA-N	2	1	661.799	3.824	1	0		KHAFMP
C[NH+](C)[C@H]1CCc2cccc(N3CCN(C(=O)[C@@H](Cc4ccc(Cl)cc4)NC(=O)[C@H]4Cc5ccccc5C[NH2+]4)CC3)c2C1	ZINC000084611184	562744331	/nfs/dbraw/zinc/74/43/31/562744331.db2.gz	BOSMDIPMRDHNDU-JIZBBPSKSA-N	2	1	600.207	3.850	1	0		KHAFMP
CCC[N@H+]1CCC[C@@]12CCN([C@@H](C)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]Cc1cccc(C(C)C)c1)C2=O	ZINC000084671088	562748451	/nfs/dbraw/zinc/74/84/51/562748451.db2.gz	MOXAMLWWFJKUEH-XGZLTPBASA-N	2	1	548.772	3.853	1	0	in-vitro	KHAFMP
O=C(NCc1ccc(Cl)cc1Cl)[C@H]1C[NH+](CC2CC2)C[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000084727601	562751416	/nfs/dbraw/zinc/75/14/16/562751416.db2.gz	VNYJYVUPAUNDON-CCDWMCETSA-N	2	1	529.512	3.958	1	0		KHAFMP
O=C(NCc1ccc(Cl)cc1Cl)[C@H]1C[NH+](CC2CC2)C[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000084727601	562751415	/nfs/dbraw/zinc/75/14/15/562751415.db2.gz	VNYJYVUPAUNDON-CCDWMCETSA-N	2	1	529.512	3.958	1	0		KHAFMP
O=C(NCc1ccc(Cl)cc1Cl)[C@H]1C[N@@H+](CC2CC2)C[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1	ZINC000084727601	562751414	/nfs/dbraw/zinc/75/14/14/562751414.db2.gz	VNYJYVUPAUNDON-CCDWMCETSA-N	2	1	529.512	3.958	1	0		KHAFMP
O=C(NCc1ccc(Cl)cc1Cl)[C@H]1C[NH+](CC2CC2)C[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000084727605	562751393	/nfs/dbraw/zinc/75/13/93/562751393.db2.gz	VNYJYVUPAUNDON-DSNGMDLFSA-N	2	1	529.512	3.958	1	0		KHAFMP
O=C(NCc1ccc(Cl)cc1Cl)[C@H]1C[NH+](CC2CC2)C[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000084727605	562751392	/nfs/dbraw/zinc/75/13/92/562751392.db2.gz	VNYJYVUPAUNDON-DSNGMDLFSA-N	2	1	529.512	3.958	1	0		KHAFMP
O=C(NCc1ccc(Cl)cc1Cl)[C@H]1C[N@@H+](CC2CC2)C[C@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1	ZINC000084727605	562751391	/nfs/dbraw/zinc/75/13/91/562751391.db2.gz	VNYJYVUPAUNDON-DSNGMDLFSA-N	2	1	529.512	3.958	1	0		KHAFMP
CNC[C@H]1CC[C@H]2C[C@@]34[C@@H](C[C@@]35C[C@@H](CCC[C@H](C)[C@H](CO)[NH2+]C)C[C@H]5[C@@H]2[NH2+]1)[C@@]1(O)CCC[C@](C)(C1)C[C@@H]4O	ZINC000085547377	565141293	/nfs/dbraw/zinc/14/12/93/565141293.db2.gz	YQIYSDNENIVBIR-WEQDOYIZSA-N	2	1	545.853	3.828	1	0	biogenic,in-vitro	KHAFMP
Nc1[nH]c([C@H]2c3[nH+]c(N)[nH]c3C[C@H](CNC(=O)c3cc(Br)c(Br)[nH]3)[C@H]2CNC(=O)c2cc(Br)c(Br)[nH]2)c[nH+]1	ZINC000085566676	562753278	/nfs/dbraw/zinc/75/32/78/562753278.db2.gz	VOGBZMFIZJPYAJ-PISXGGPESA-N	2	1	778.102	3.784	1	0		KHAFMP
Nc1[nH]cc([C@H]2c3[nH]c(N)[nH+]c3C[C@H](CNC(=O)c3cc(Br)c(Br)[nH]3)[C@H]2CNC(=O)c2cc(Br)c(Br)[nH]2)[nH+]1	ZINC000085566676	562753277	/nfs/dbraw/zinc/75/32/77/562753277.db2.gz	VOGBZMFIZJPYAJ-PISXGGPESA-N	2	1	778.102	3.784	1	0		KHAFMP
COc1cc(CC[C@H]2C[C@H](O)C[C@@H](c3cc(OC)c(O)c(OC[C@H]4[NH2+][C@@H](C)C[C@@H](CO)[C@@H]4Cc4cc[nH+]c(N)c4)c3)O2)ccc1O	ZINC000085596596	565155914	/nfs/dbraw/zinc/15/59/14/565155914.db2.gz	VIGASCNGBAZEKT-FAWUASIASA-N	2	1	637.774	3.903	1	0	biogenic,in-vitro	KHAFMP
C[NH2+]Cc1cc(O)cc([C@@H](Cc2ccc(O)c(OC[NH2+]C[C@H](C)O)c2)C(=O)C[C@@H](O)[C@H](Cc2cc[nH]c2)Cc2ccc(O)c(OC)c2)c1	ZINC000085632229	565165959	/nfs/dbraw/zinc/16/59/59/565165959.db2.gz	SPTRMBGGKBNWGW-LPJNBTEPSA-N	2	1	660.788	3.700	1	0	biogenic,in-vitro	KHAFMP
CC[C@]12C=CC[N@@H+]3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@@H]7C[NH+](C[C@](O)(CC)C7)CCc7c8ccccc8[nH]c76)c(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)[C@H]1OC(C)=O)[C@@H]32	ZINC000094313263	562753703	/nfs/dbraw/zinc/75/37/03/562753703.db2.gz	JXLYSJRDGCGARV-SSFPKTLXSA-N	2	1	810.989	3.991	1	0		KHAFMP
CC[C@]12C=CC[N@H+]3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@@H]7C[NH+](C[C@](O)(CC)C7)CCc7c8ccccc8[nH]c76)c(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)[C@H]1OC(C)=O)[C@@H]32	ZINC000094313263	562753702	/nfs/dbraw/zinc/75/37/02/562753702.db2.gz	JXLYSJRDGCGARV-SSFPKTLXSA-N	2	1	810.989	3.991	1	0		KHAFMP
CC[C@]12C=CC[NH+]3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@@H]7C[N@@H+](C[C@](O)(CC)C7)CCc7c8ccccc8[nH]c76)c(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)[C@H]1OC(C)=O)[C@@H]32	ZINC000094313263	562753701	/nfs/dbraw/zinc/75/37/01/562753701.db2.gz	JXLYSJRDGCGARV-SSFPKTLXSA-N	2	1	810.989	3.991	1	0		KHAFMP
COC(=O)C1=C2Nc3ccccc3[C@@]23CC[NH+]2[C@H]3[C@]3(CCO[C@H]3[C@@]3(C[C@@H]4C[C@]56CC(=O)C[C@H]5CC[N@H+]5CC[C@@]7(c8cccc(OC)c8N(C3)[C@@]47O)[C@@H]56)[C@H]2O)C1	ZINC000095535766	562753812	/nfs/dbraw/zinc/75/38/12/562753812.db2.gz	SCPIROZFVJWUFE-LLSOSBHTSA-N	2	1	746.905	3.671	1	0		KHAFMP
COC(=O)C1=C2Nc3ccccc3[C@@]23CC[NH+]2[C@H]3[C@]3(CCO[C@H]3[C@@]3(C[C@@H]4C[C@]56CC(=O)C[C@H]5CC[N@@H+]5CC[C@@]7(c8cccc(OC)c8N(C3)[C@@]47O)[C@@H]56)[C@H]2O)C1	ZINC000095535766	562753811	/nfs/dbraw/zinc/75/38/11/562753811.db2.gz	SCPIROZFVJWUFE-LLSOSBHTSA-N	2	1	746.905	3.671	1	0		KHAFMP
COC(=O)C1=C2Nc3ccccc3[C@@]23CC[N@H+]2[C@H]3[C@]3(CCO[C@H]3[C@@]3(C[C@@H]4C[C@]56CC(=O)C[C@H]5CC[NH+]5CC[C@@]7(c8cccc(OC)c8N(C3)[C@@]47O)[C@@H]56)[C@H]2O)C1	ZINC000095535766	562753810	/nfs/dbraw/zinc/75/38/10/562753810.db2.gz	SCPIROZFVJWUFE-LLSOSBHTSA-N	2	1	746.905	3.671	1	0		KHAFMP
Nc1[nH]c([C@@H]2c3[nH+]c(N)[nH]c3C[C@H](CNC(=O)c3[nH]cc(Br)c3Br)[C@H]2CNC(=O)c2cc(Br)c(Br)[nH]2)c[nH+]1	ZINC000095539518	562755083	/nfs/dbraw/zinc/75/50/83/562755083.db2.gz	GJJKGKKNMPQKHM-WFEFGEHDSA-N	2	1	778.102	3.784	1	0		KHAFMP
Nc1[nH]cc([C@@H]2c3[nH]c(N)[nH+]c3C[C@H](CNC(=O)c3[nH]cc(Br)c3Br)[C@H]2CNC(=O)c2cc(Br)c(Br)[nH]2)[nH+]1	ZINC000095539518	562755082	/nfs/dbraw/zinc/75/50/82/562755082.db2.gz	GJJKGKKNMPQKHM-WFEFGEHDSA-N	2	1	778.102	3.784	1	0		KHAFMP
Oc1ccc2c3c1O[C@H]1[C@]4(CC[C@@]5(O)[C@@H](C2)[NH+](CC2CCC2)CC[C@]315)O[C@H]1CO[C@@H]2N1[C@H]4O[C@]21CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@H+]3CC2CCC2)[C@H]1O5	ZINC000095539805	562755294	/nfs/dbraw/zinc/75/52/94/562755294.db2.gz	ASVHGPALAUWBSH-XSCFRSCTSA-N	2	1	793.958	3.555	1	0		KHAFMP
Oc1ccc2c3c1O[C@H]1[C@]4(CC[C@@]5(O)[C@@H](C2)[NH+](CC2CCC2)CC[C@]315)O[C@H]1CO[C@@H]2N1[C@H]4O[C@]21CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@@H+]3CC2CCC2)[C@H]1O5	ZINC000095539805	562755293	/nfs/dbraw/zinc/75/52/93/562755293.db2.gz	ASVHGPALAUWBSH-XSCFRSCTSA-N	2	1	793.958	3.555	1	0		KHAFMP
Oc1ccc2c3c1O[C@H]1[C@]4(CC[C@@]5(O)[C@@H](C2)[NH+](CC2CCC2)CC[C@]315)O[C@@H]1N2[C@H](CO[C@H]24)O[C@]12CC[C@@]1(O)[C@H]3Cc4ccc(O)c5c4[C@@]1(CC[N@@H+]3CC1CCC1)[C@H]2O5	ZINC000095539805	562755292	/nfs/dbraw/zinc/75/52/92/562755292.db2.gz	ASVHGPALAUWBSH-XSCFRSCTSA-N	2	1	793.958	3.555	1	0		KHAFMP
CC(C)[C@H]([NH3+])C(=O)O[C@H](C[N@H+]1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1	ZINC000095539874	562755364	/nfs/dbraw/zinc/75/53/64/562755364.db2.gz	SVMMFLCFDOEXLB-PGKJHWCZSA-N	2	1	769.988	3.627	1	0		KHAFMP
C[C@H](N[C@@H]1CCC[NH2+]C1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H]([NH3+])c2ccccc2)CC1	ZINC000095543708	562757420	/nfs/dbraw/zinc/75/74/20/562757420.db2.gz	FSKFKMCMKZGDFB-DHETVXMMSA-N	2	1	603.211	3.819	1	0		KHAFMP
CC[C@]12C=CC[N@@H+]3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@H]7C[NH+](C[C@](O)(CC)C7)CCc7c8ccccc8[nH]c76)c(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@H]32	ZINC000095546222	562758401	/nfs/dbraw/zinc/75/84/01/562758401.db2.gz	JXLYSJRDGCGARV-FQWHORIBSA-N	2	1	810.989	3.991	1	0		KHAFMP
CC[C@]12C=CC[N@H+]3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@H]7C[NH+](C[C@](O)(CC)C7)CCc7c8ccccc8[nH]c76)c(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@H]32	ZINC000095546222	562758400	/nfs/dbraw/zinc/75/84/00/562758400.db2.gz	JXLYSJRDGCGARV-FQWHORIBSA-N	2	1	810.989	3.991	1	0		KHAFMP
CC[C@]12C=CC[NH+]3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@H]7C[N@@H+](C[C@](O)(CC)C7)CCc7c8ccccc8[nH]c76)c(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@H]32	ZINC000095546222	562758399	/nfs/dbraw/zinc/75/83/99/562758399.db2.gz	JXLYSJRDGCGARV-FQWHORIBSA-N	2	1	810.989	3.991	1	0		KHAFMP
CC[C@]12C=CC[N@@H+]3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@H]7C[NH+](C[C@](O)(CC)C7)CCc7c8ccccc8[nH]c76)c(OC)cc5N(C)[C@@H]4[C@@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@H]32	ZINC000095546223	562758408	/nfs/dbraw/zinc/75/84/08/562758408.db2.gz	JXLYSJRDGCGARV-MULGQPSZSA-N	2	1	810.989	3.991	1	0		KHAFMP
CC[C@]12C=CC[N@H+]3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@H]7C[NH+](C[C@](O)(CC)C7)CCc7c8ccccc8[nH]c76)c(OC)cc5N(C)[C@@H]4[C@@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@H]32	ZINC000095546223	562758407	/nfs/dbraw/zinc/75/84/07/562758407.db2.gz	JXLYSJRDGCGARV-MULGQPSZSA-N	2	1	810.989	3.991	1	0		KHAFMP
CC[C@]12C=CC[NH+]3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@H]7C[N@@H+](C[C@](O)(CC)C7)CCc7c8ccccc8[nH]c76)c(OC)cc5N(C)[C@@H]4[C@@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@H]32	ZINC000095546223	562758406	/nfs/dbraw/zinc/75/84/06/562758406.db2.gz	JXLYSJRDGCGARV-MULGQPSZSA-N	2	1	810.989	3.991	1	0		KHAFMP
CC[C@@]12C=CC[N@H+]3CC[C@]4(c5cc([C@]6(C(=O)OC)C[C@H]7C[NH+](C[C@](O)(CC)C7)CCc7c8ccccc8[nH]c76)c(OC)cc5N(C)[C@H]4[C@](O)(C(=O)OC)[C@H]1C(=O)OC)[C@@H]32	ZINC000095546544	562758548	/nfs/dbraw/zinc/75/85/48/562758548.db2.gz	SLIRURSWQCRWFG-QIROGMKMSA-N	2	1	810.989	3.848	1	0		KHAFMP
CC[C@@]12C=CC[NH+]3CC[C@]4(c5cc([C@]6(C(=O)OC)C[C@H]7C[N@@H+](C[C@](O)(CC)C7)CCc7c8ccccc8[nH]c76)c(OC)cc5N(C)[C@H]4[C@](O)(C(=O)OC)[C@H]1C(=O)OC)[C@@H]32	ZINC000095546544	562758547	/nfs/dbraw/zinc/75/85/47/562758547.db2.gz	SLIRURSWQCRWFG-QIROGMKMSA-N	2	1	810.989	3.848	1	0		KHAFMP
C[NH+](C)CCCNc1nc(-c2ccc(Cl)cc2NC(=O)CCN2CC[NH+](C)CC2)nc2ccccc21	ZINC000095562373	562763672	/nfs/dbraw/zinc/76/36/72/562763672.db2.gz	MLSPZNRSNWZEIG-UHFFFAOYSA-N	2	1	510.086	3.890	1	0		KHAFMP
CC(C)c1ccc(NC(=O)c2cccc(-c3nn([C@@H]4CCCN(C(=O)/C=C/C[NH+]5CCN(CC[NH3+])CC5)C4)c4ncnc(N)c34)c2)cc1	ZINC000095578582	562771328	/nfs/dbraw/zinc/77/13/28/562771328.db2.gz	KFLRDJSBPGBGOL-JLRXKOEZSA-N	2	1	650.832	3.747	1	0		KHAFMP
CC[C@]12CC[NH+]3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@@H]7C[N@H+](C[C@](O)(CC)C7)CCc7c8ccccc8[nH]c76)c(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@@H]32	ZINC000095598269	562777371	/nfs/dbraw/zinc/77/73/71/562777371.db2.gz	UEXQGGOPJXHVLZ-ICJOCJBCSA-N	2	1	798.978	3.825	1	0		KHAFMP
CC[C@]12CC[N@H+]3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@@H]7C[NH+](C[C@](O)(CC)C7)CCc7c8ccccc8[nH]c76)c(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@@H]32	ZINC000095598269	562777370	/nfs/dbraw/zinc/77/73/70/562777370.db2.gz	UEXQGGOPJXHVLZ-ICJOCJBCSA-N	2	1	798.978	3.825	1	0		KHAFMP
CC[C@]12C=CC[N@H+]3CC[C@]4(c5cc([C@@H]6[C@H]7Nc8ccccc8[C@H]7CC[NH+]7C[C@@H](CC[C@@]7(O)CC)[C@@H]6C(=O)OC)c(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)[C@@H]1O)[C@H]32	ZINC000095612328	562785417	/nfs/dbraw/zinc/78/54/17/562785417.db2.gz	WHJYUNYXJXPHHC-AMJJGTEISA-N	2	1	770.968	3.736	1	0		KHAFMP
CC[C@]12C=CC[NH+]3CC[C@]4(c5cc([C@@H]6[C@H]7Nc8ccccc8[C@H]7CC[N@@H+]7C[C@@H](CC[C@@]7(O)CC)[C@@H]6C(=O)OC)c(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)[C@@H]1O)[C@H]32	ZINC000095612328	562785416	/nfs/dbraw/zinc/78/54/16/562785416.db2.gz	WHJYUNYXJXPHHC-AMJJGTEISA-N	2	1	770.968	3.736	1	0		KHAFMP
COC(=O)C1=C2Nc3ccccc3[C@@]23CC[NH+]2[C@H]3[C@]3(CCO[C@H]3[C@@]3(C[C@@H]4C[C@]56CC(=O)O[C@H]5CC[N@H+]5CC[C@@]7(c8cccc(OC)c8N(C3)[C@@H]47)[C@@H]56)[C@H]2O)C1	ZINC000095615605	562787407	/nfs/dbraw/zinc/78/74/07/562787407.db2.gz	YPRWDJLQPBDJAW-HHVNBPBNSA-N	2	1	732.878	3.687	1	0		KHAFMP
COC(=O)C1=C2Nc3ccccc3[C@@]23CC[NH+]2[C@H]3[C@]3(CCO[C@H]3[C@@]3(C[C@@H]4C[C@]56CC(=O)O[C@H]5CC[N@@H+]5CC[C@@]7(c8cccc(OC)c8N(C3)[C@@H]47)[C@@H]56)[C@H]2O)C1	ZINC000095615605	562787406	/nfs/dbraw/zinc/78/74/06/562787406.db2.gz	YPRWDJLQPBDJAW-HHVNBPBNSA-N	2	1	732.878	3.687	1	0		KHAFMP
COC(=O)C1=C2Nc3ccccc3[C@@]23CC[N@H+]2[C@H]3[C@]3(CCO[C@H]3[C@@]3(C[C@@H]4C[C@]56CC(=O)O[C@H]5CC[NH+]5CC[C@@]7(c8cccc(OC)c8N(C3)[C@@H]47)[C@@H]56)[C@H]2O)C1	ZINC000095615605	562787405	/nfs/dbraw/zinc/78/74/05/562787405.db2.gz	YPRWDJLQPBDJAW-HHVNBPBNSA-N	2	1	732.878	3.687	1	0		KHAFMP
COc1ccc2c(c1)n(C)c1c2C2(CC[NH+](Cc3nccs3)CC2)C[N@@H+](CC2CCOCC2)[C@H]1CO	ZINC000095865806	562789758	/nfs/dbraw/zinc/78/97/58/562789758.db2.gz	ABQVMDPQDGPFAQ-DEOSSOPVSA-N	2	1	510.704	3.953	1	0		KHAFMP
COc1ccc2c(c1)n(C)c1c2C2(CC[NH+](Cc3nccs3)CC2)C[N@H+](CC2CCOCC2)[C@H]1CO	ZINC000095865806	562789757	/nfs/dbraw/zinc/78/97/57/562789757.db2.gz	ABQVMDPQDGPFAQ-DEOSSOPVSA-N	2	1	510.704	3.953	1	0		KHAFMP
COc1ccc2c(c1)C(=O)N(c1nc(C(=O)Nc3c[nH+]c4ccccc4c3N3CC[NH2+]CC3)cs1)C2	ZINC000096269607	562793013	/nfs/dbraw/zinc/79/30/13/562793013.db2.gz	VLYMYJMHIBLBFT-UHFFFAOYSA-N	2	1	500.584	3.522	1	0		KHAFMP
Cn1c2c(c3c1[C@@H]1Oc4c5c(ccc4O)C[C@H]4[NH+](CC6CC6)CC[C@]51[C@@]4(O)C3)C[C@]1(O)[C@H]3Cc4ccc(O)c5c4[C@@]1(CC[N@H+]3CC1CC1)[C@H]2O5	ZINC000096900234	562796825	/nfs/dbraw/zinc/79/68/25/562796825.db2.gz	DKIVQMBUHVYDFC-HIYKRWDRSA-N	2	1	675.826	3.835	1	0		KHAFMP
Cn1c2c(c3c1[C@@H]1Oc4c5c(ccc4O)C[C@H]4[NH+](CC6CC6)CC[C@]51[C@@]4(O)C3)C[C@]1(O)[C@H]3Cc4ccc(O)c5c4[C@@]1(CC[N@@H+]3CC1CC1)[C@H]2O5	ZINC000096900234	562796824	/nfs/dbraw/zinc/79/68/24/562796824.db2.gz	DKIVQMBUHVYDFC-HIYKRWDRSA-N	2	1	675.826	3.835	1	0		KHAFMP
Cn1c2c(c3c1[C@@H]1Oc4c5c(ccc4O)C[C@H]4[N@H+](CC6CC6)CC[C@]51[C@@]4(O)C3)C[C@]1(O)[C@H]3Cc4ccc(O)c5c4[C@@]1(CC[NH+]3CC1CC1)[C@H]2O5	ZINC000096900234	562796823	/nfs/dbraw/zinc/79/68/23/562796823.db2.gz	DKIVQMBUHVYDFC-HIYKRWDRSA-N	2	1	675.826	3.835	1	0		KHAFMP
Cn1c2c(c3c1[C@@H]1Oc4c5c(ccc4O)C[C@H]4[N@H+](CC6CC6)CC[C@]51[C@]4(O)C3)C[C@]1(O)[C@H]3Cc4ccc(O)c5c4[C@@]1(CC[NH+]3CC1CC1)[C@H]2O5	ZINC000096900235	562796809	/nfs/dbraw/zinc/79/68/09/562796809.db2.gz	DKIVQMBUHVYDFC-ZQWXFRBHSA-N	2	1	675.826	3.835	1	0		KHAFMP
C[NH+]1CCC2=C[C@H](OC(=O)c3cccc(C(=O)O[C@H]4C=C5CC[N@H+](C)[C@H]5[C@@H]5c6cc7c(cc6C(=O)O[C@H]45)OCO7)n3)[C@H]3OC(=O)c4cc5c(cc4[C@H]3[C@@H]21)OCO5	ZINC000096909168	562799503	/nfs/dbraw/zinc/79/95/03/562799503.db2.gz	GYLPOHODWNCELH-PYAAGRFVSA-N	2	1	761.740	3.524	1	0		KHAFMP
C[NH+]1CCC2=C[C@H](OC(=O)CCCCC(=O)O[C@H]3C=C4CC[N@H+](C)[C@H]4[C@@H]4c5cc6c(cc5C(=O)O[C@H]34)OCO6)[C@H]3OC(=O)c4cc5c(cc4[C@H]3[C@@H]21)OCO5	ZINC000096909170	562799527	/nfs/dbraw/zinc/79/95/27/562799527.db2.gz	XPTCPDIWNOTYRH-DSMWBQTKSA-N	2	1	740.762	3.762	1	0		KHAFMP
C[NH+](C)CCNC(=O)c1ccc(/C=C/c2nc3cc(N4CC[NH+](C)CC4)c(F)cc3c(=O)n2-c2ccccc2)cc1	ZINC000096938702	562804563	/nfs/dbraw/zinc/80/45/63/562804563.db2.gz	RWCNSFJIDWHVQM-SDNWHVSQSA-N	2	1	554.670	3.738	1	0		KHAFMP
CC(C)n1c2ccccc2cc(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3CCCCCCC[NH+]2CCN(S(C)(=O)=O)CC2)c1=O	ZINC000102165409	562812807	/nfs/dbraw/zinc/81/28/07/562812807.db2.gz	XJYKGQSAARGRMU-OUOZDZGXSA-N	2	1	599.842	3.835	1	0		KHAFMP
CC(C)n1c2ccccc2cc(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3CCCCCCC[NH+]2CCN(S(C)(=O)=O)CC2)c1=O	ZINC000102165409	562812806	/nfs/dbraw/zinc/81/28/06/562812806.db2.gz	XJYKGQSAARGRMU-OUOZDZGXSA-N	2	1	599.842	3.835	1	0		KHAFMP
CC(C)[C@H]([NH3+])C(=O)Nc1cccc(Sc2cnc(N3CC[NH+](C)CC3)nc2OCc2ccccc2)c1	ZINC000103254953	562820696	/nfs/dbraw/zinc/82/06/96/562820696.db2.gz	FUOCSRXYVJZEQY-DEOSSOPVSA-N	2	1	506.676	3.880	1	0		KHAFMP
CC(C)[C@@H]([NH3+])C(=O)Nc1cccc(Sc2cnc(N3CC[NH+](C)CC3)nc2OCc2ccccc2)c1	ZINC000103254955	562820657	/nfs/dbraw/zinc/82/06/57/562820657.db2.gz	FUOCSRXYVJZEQY-XMMPIXPASA-N	2	1	506.676	3.880	1	0		KHAFMP
C[NH+]1CCN(c2ncc(Sc3cccc(NC(=O)[C@@H]4CCC[NH2+]4)c3)c(OCc3ccccc3)n2)CC1	ZINC000103254957	562820688	/nfs/dbraw/zinc/82/06/88/562820688.db2.gz	WFGSXUGRJBWBKO-QHCPKHFHSA-N	2	1	504.660	3.649	1	0		KHAFMP
C[NH+]1CCN(c2ncc(Sc3cccc(NC(=O)[C@H]4CCC[NH2+]4)c3)c(OCc3ccccc3)n2)CC1	ZINC000103254959	562820668	/nfs/dbraw/zinc/82/06/68/562820668.db2.gz	WFGSXUGRJBWBKO-HSZRJFAPSA-N	2	1	504.660	3.649	1	0		KHAFMP
O=C([C@@H]1CCC[N@@H+](Cc2ccccc2F)C1)N1CCN(C(=O)[C@H]2CCC[NH+](Cc3ccccc3F)C2)CC1	ZINC000103294761	562824479	/nfs/dbraw/zinc/82/44/79/562824479.db2.gz	OZNOHGAKPUVTAK-WMPKNSHKSA-N	2	1	524.656	3.760	1	0		KHAFMP
O=C([C@@H]1CCC[N@H+](Cc2ccccc2F)C1)N1CCN(C(=O)[C@H]2CCC[NH+](Cc3ccccc3F)C2)CC1	ZINC000103294761	562824478	/nfs/dbraw/zinc/82/44/78/562824478.db2.gz	OZNOHGAKPUVTAK-WMPKNSHKSA-N	2	1	524.656	3.760	1	0		KHAFMP
O=C([C@@H]1CCC[NH+](Cc2ccccc2F)C1)N1CCN(C(=O)[C@H]2CCC[N@H+](Cc3ccccc3F)C2)CC1	ZINC000103294761	562824477	/nfs/dbraw/zinc/82/44/77/562824477.db2.gz	OZNOHGAKPUVTAK-WMPKNSHKSA-N	2	1	524.656	3.760	1	0		KHAFMP
O=C([C@@H]1CCC[NH+](Cc2ccccc2F)C1)N1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3F)C2)CC1	ZINC000103294764	562824443	/nfs/dbraw/zinc/82/44/43/562824443.db2.gz	OZNOHGAKPUVTAK-CLJLJLNGSA-N	2	1	524.656	3.760	1	0		KHAFMP
O=S(=O)(CCCOc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)[NH2+]CC2)N1CC[NH2+]CC1	ZINC000114974996	562828546	/nfs/dbraw/zinc/82/85/46/562828546.db2.gz	ICDHRPUTNJRICH-RUZDIDTESA-N	2	1	504.096	3.653	1	0		KHAFMP
O=S(=O)(CCCOc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)[NH2+]CC2)N1CC[NH2+]CC1	ZINC000114974999	562828544	/nfs/dbraw/zinc/82/85/44/562828544.db2.gz	ICDHRPUTNJRICH-VWLOTQADSA-N	2	1	504.096	3.653	1	0		KHAFMP
CC(C)(C)C[C@H]1[NH2+][C@@H](C(=O)NCC[C@H](O)C[N@H+]2CC[C@@H](O)C2)[C@H](c2cccc(Cl)c2)[C@@]12C(=O)Nc1cc(Cl)c(F)cc12	ZINC000144521721	562836366	/nfs/dbraw/zinc/83/63/66/562836366.db2.gz	BAFJGFAIIOXZDU-ZPPRXTSMSA-N	2	1	621.581	3.817	1	0		KHAFMP
COc1cc(C(=O)NC2CC[NH+](C)CC2)ccc1Nc1ncc(C(F)(F)F)c(OC[C@@H]2CCCC[N@H+]2C)n1	ZINC000148459990	562841424	/nfs/dbraw/zinc/84/14/24/562841424.db2.gz	ZCKUZYXKPTWCGK-IBGZPJMESA-N	2	1	536.599	3.935	1	0		KHAFMP
COc1cc(C(=O)NC2CC[NH+](C)CC2)ccc1Nc1ncc(C(F)(F)F)c(OC[C@H]2CCCC[N@H+]2C)n1	ZINC000148460211	562841406	/nfs/dbraw/zinc/84/14/06/562841406.db2.gz	ZCKUZYXKPTWCGK-LJQANCHMSA-N	2	1	536.599	3.935	1	0		KHAFMP
COc1cc(C(=O)NC2CC[NH+](C)CC2)ccc1Nc1ncc(C(F)(F)F)c(O[C@@H]2CCC[N@@H+](C)C2)n1	ZINC000148460561	562841402	/nfs/dbraw/zinc/84/14/02/562841402.db2.gz	JGBKEMZDTUHFHD-GOSISDBHSA-N	2	1	522.572	3.545	1	0		KHAFMP
COc1cc(C(=O)NC2CC[NH+](C)CC2)ccc1Nc1ncc(C(F)(F)F)c(O[C@H]2CCC[N@@H+](C)C2)n1	ZINC000148460756	562841437	/nfs/dbraw/zinc/84/14/37/562841437.db2.gz	JGBKEMZDTUHFHD-SFHVURJKSA-N	2	1	522.572	3.545	1	0		KHAFMP
CO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)cc(C)[nH+]2)C1	ZINC000150175249	562842923	/nfs/dbraw/zinc/84/29/23/562842923.db2.gz	BJBWQZIZKFLAPO-CTFQRZDPSA-N	2	1	522.612	3.541	1	0		KHAFMP
CCC[N@H+]1CC[C@H](NCc2ccc(SC)cc2)[C@@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC)C1	ZINC000169292216	562852001	/nfs/dbraw/zinc/85/20/01/562852001.db2.gz	INPOAGGWPPCRMS-ZEQRLZLVSA-N	2	1	594.704	3.667	1	0		KHAFMP
C[NH+](C)[C@@H]1CC[C@@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@@H]([NH2+]Cc2ccc3[nH]ccc3c2)C1	ZINC000169293179	562852058	/nfs/dbraw/zinc/85/20/58/562852058.db2.gz	RLHHXPKOCQVXFH-JRFVFWCSSA-N	2	1	515.580	3.674	1	0		KHAFMP
C[NH+](C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@@H]([NH2+]Cc2ccc3[nH]ccc3c2)C1	ZINC000169293181	562852063	/nfs/dbraw/zinc/85/20/63/562852063.db2.gz	RLHHXPKOCQVXFH-NHTMILBNSA-N	2	1	515.580	3.674	1	0		KHAFMP
CC[C@@]1(O)C[C@H]2C[NH+](C1)CCc1c3ccccc3[nH]c1[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@]34CC[N@H+]3CC=C[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC)C2	ZINC000169294003	562852203	/nfs/dbraw/zinc/85/22/03/562852203.db2.gz	JXLYSJRDGCGARV-FVUGNCAKSA-N	2	1	810.989	3.991	1	0		KHAFMP
CC[C@@]1(O)C[C@H]2C[NH+](C1)CCc1c3ccccc3[nH]c1[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@]34CC[N@@H+]3CC=C[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC)C2	ZINC000169294003	562852202	/nfs/dbraw/zinc/85/22/02/562852202.db2.gz	JXLYSJRDGCGARV-FVUGNCAKSA-N	2	1	810.989	3.991	1	0		KHAFMP
CC[C@@]1(O)C[C@H]2C[N@@H+](C1)CCc1c3ccccc3[nH]c1[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@]34CC[NH+]3CC=C[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC)C2	ZINC000169294003	562852201	/nfs/dbraw/zinc/85/22/01/562852201.db2.gz	JXLYSJRDGCGARV-FVUGNCAKSA-N	2	1	810.989	3.991	1	0		KHAFMP
CC[C@]12C=CC[N@@H+]3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@@H]7C[NH+](C[C@](O)(CC)C7)CCc7c8ccccc8[nH]c76)c(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)NC)[C@@H]1OC(C)=O)[C@@H]32	ZINC000169330048	562858623	/nfs/dbraw/zinc/85/86/23/562858623.db2.gz	QAFHWXIHGCZBNJ-XQKSVPLYSA-N	2	1	810.005	3.564	1	0		KHAFMP
CC[C@]12C=CC[N@H+]3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@@H]7C[NH+](C[C@](O)(CC)C7)CCc7c8ccccc8[nH]c76)c(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)NC)[C@@H]1OC(C)=O)[C@@H]32	ZINC000169330048	562858622	/nfs/dbraw/zinc/85/86/22/562858622.db2.gz	QAFHWXIHGCZBNJ-XQKSVPLYSA-N	2	1	810.005	3.564	1	0		KHAFMP
CC[C@]12C=CC[NH+]3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@@H]7C[N@@H+](C[C@](O)(CC)C7)CCc7c8ccccc8[nH]c76)c(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)NC)[C@@H]1OC(C)=O)[C@@H]32	ZINC000169330048	562858621	/nfs/dbraw/zinc/85/86/21/562858621.db2.gz	QAFHWXIHGCZBNJ-XQKSVPLYSA-N	2	1	810.005	3.564	1	0		KHAFMP
CC[C@]12C=CC[N@@H+]3CC[C@@]4(c5cc([C@@H]6/C=C(/c7ccccc7)CC[NH+]7C[C@H](C[C@@](O)(CC)C7)C6)c(OC)cc5N(C)[C@H]4[C@@](O)(C(N)=O)[C@@H]1O)[C@@H]32	ZINC000169337483	562860099	/nfs/dbraw/zinc/86/00/99/562860099.db2.gz	RRGVWMANSCEAFJ-GNCFKGGUSA-N	2	1	682.906	3.807	1	0		KHAFMP
CC[C@]12C=CC[N@H+]3CC[C@@]4(c5cc([C@@H]6/C=C(/c7ccccc7)CC[NH+]7C[C@H](C[C@@](O)(CC)C7)C6)c(OC)cc5N(C)[C@H]4[C@@](O)(C(N)=O)[C@@H]1O)[C@@H]32	ZINC000169337483	562860098	/nfs/dbraw/zinc/86/00/98/562860098.db2.gz	RRGVWMANSCEAFJ-GNCFKGGUSA-N	2	1	682.906	3.807	1	0		KHAFMP
CC[C@]12C=CC[NH+]3CC[C@@]4(c5cc([C@@H]6/C=C(/c7ccccc7)CC[N@H+]7C[C@H](C[C@@](O)(CC)C7)C6)c(OC)cc5N(C)[C@H]4[C@@](O)(C(N)=O)[C@@H]1O)[C@@H]32	ZINC000169337483	562860097	/nfs/dbraw/zinc/86/00/97/562860097.db2.gz	RRGVWMANSCEAFJ-GNCFKGGUSA-N	2	1	682.906	3.807	1	0		KHAFMP
CC[N@@H+](C)CCCN(CC[NH2+]CCc1ccc(O)c2[nH]c(=O)sc21)C(=O)CCOCCc1cccc(Cl)c1	ZINC000169346894	562861863	/nfs/dbraw/zinc/86/18/63/562861863.db2.gz	OPNCIJXMGWBLBB-UHFFFAOYSA-N	2	1	563.164	3.901	1	0		KHAFMP
CC[N@H+](C)CCCN(CC[NH2+]CCc1ccc(O)c2[nH]c(=O)sc21)C(=O)CCOCCc1cccc(Cl)c1	ZINC000169346894	562861862	/nfs/dbraw/zinc/86/18/62/562861862.db2.gz	OPNCIJXMGWBLBB-UHFFFAOYSA-N	2	1	563.164	3.901	1	0		KHAFMP
CC[N@@H+](C)CCCN(CC[NH2+]CCc1ccc([O-])c2[nH]c(=O)sc21)C(=O)CCOCCc1cccc(Cl)c1	ZINC000169346894	562861861	/nfs/dbraw/zinc/86/18/61/562861861.db2.gz	OPNCIJXMGWBLBB-UHFFFAOYSA-N	2	1	563.164	3.901	1	0		KHAFMP
COc1cc(/C=C/C(=O)NCCn2c(C[NH2+]C3CC[NH+](C)CC3)cc3ccccc32)cc(OC)c1OC	ZINC000169347568	562862024	/nfs/dbraw/zinc/86/20/24/562862024.db2.gz	YQWLFEMRUBKAEX-MDZDMXLPSA-N	2	1	506.647	3.681	1	0		KHAFMP
COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@@H]2COC2=C[C@@H]3[C@@H](C=C2)CCC[N@H+]3CCNC(C)=O)cc1	ZINC000169363151	562864323	/nfs/dbraw/zinc/86/43/23/562864323.db2.gz	DNDZDOQKOIGLKC-YCLCTBJKSA-N	2	1	618.775	3.673	1	0		KHAFMP
COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@@H]2COC2=C[C@@H]3[C@H](C=C2)CCC[N@H+]3CCNC(C)=O)cc1	ZINC000169363152	562864309	/nfs/dbraw/zinc/86/43/09/562864309.db2.gz	DNDZDOQKOIGLKC-LTXBTDFWSA-N	2	1	618.775	3.673	1	0		KHAFMP
C#[N+]c1cc2c(cc1OCCNS(=O)(=O)c1cn(C)cn1)[C@H](Cc1ccccc1)[C@@H]([N@H+]1C[C@@H]3C[C@@H]3C1)CC2	ZINC000169707482	562870000	/nfs/dbraw/zinc/87/00/00/562870000.db2.gz	BQSVHIBWPBMHRJ-STMVPXLDSA-N	2	1	531.682	3.921	1	0		KHAFMP
C#[N+]c1cc2c(cc1OCCNS(=O)(=O)c1cn(C)cn1)[C@H](Cc1ccccc1)[C@H]([N@H+]1C[C@@H]3C[C@@H]3C1)CC2	ZINC000169707484	562870020	/nfs/dbraw/zinc/87/00/20/562870020.db2.gz	BQSVHIBWPBMHRJ-ZCNKNRMMSA-N	2	1	531.682	3.921	1	0		KHAFMP
CCC1=CN2CCC3=c4ccccc4=[NH+]C3=C2C=C1C1=CN2c3ccccc3[C@]34CC[N@H+]5C/C(=C/CO)[C@H](C[C@H]53)[C@H]([C@H]24)[C@@H]1O	ZINC000205669184	562875658	/nfs/dbraw/zinc/87/56/58/562875658.db2.gz	QXXYTXDTJHCEMI-KQSYCOFHSA-N	2	1	582.748	3.649	1	0		KHAFMP
C[NH+]1CCN(C(=O)c2ccc(Nc3cc(-c4nc5ccsc5c(N[C@@H]5CC[NH2+]C5)n4)ccn3)cc2)CC1	ZINC000223695917	562880154	/nfs/dbraw/zinc/88/01/54/562880154.db2.gz	PTWVRMLTZHFAER-OAQYLSRUSA-N	2	1	514.659	3.658	1	0		KHAFMP
CC(C)C[C@H]1CNC(=S)N1C[C@H](Cc1ccccc1)[N@@H+](C)CCN1CCN(C[C@H](Cc2ccc(O)cc2)[NH+](C)C)C1=S	ZINC000299824006	562883138	/nfs/dbraw/zinc/88/31/38/562883138.db2.gz	ADAXCPMJPLKMTK-DTXPUJKBSA-N	2	1	610.938	3.915	1	0		KHAFMP
CCN1CCN(Cc2ccc(CN[C@@H]3c4cc5c(cc4[C@@H](c4cc(OC)c(OC)c(OC)c4)[C@H]4C(=O)OC[C@@H]43)OCO5)o2)CC1	ZINC000299829744	562884962	/nfs/dbraw/zinc/88/49/62/562884962.db2.gz	LCLUSFLTRWXBNK-QGWJVEIISA-N	2	1	619.715	3.937	1	0		KHAFMP
Nc1nc(-c2ccc(CCN3CC[NH+](CCCC[NH+]4CCN(c5ccccn5)CC4)CC3)cc2)cs1	ZINC000299829888	562885041	/nfs/dbraw/zinc/88/50/41/562885041.db2.gz	SSOGMQNMXCAUGZ-UHFFFAOYSA-N	2	1	505.736	3.550	1	0		KHAFMP
C[C@H](O)CNc1nccc(-n2ccnc2C(=O)c2cccc(NC(=O)c3cc(N4CCN(C)CC4)cc(C(F)(F)F)c3)c2)n1	ZINC000299837380	562887435	/nfs/dbraw/zinc/88/74/35/562887435.db2.gz	KBCHTDJMDCFYLL-IBGZPJMESA-N	2	1	608.625	3.709	1	0		KHAFMP
O=C([C@H]1CCC[NH+](Cc2ccccc2F)C1)N1CCN(C(=O)[C@H]2CCC[N@H+](Cc3ccccc3F)C2)CC1	ZINC000299850305	562890622	/nfs/dbraw/zinc/89/06/22/562890622.db2.gz	OZNOHGAKPUVTAK-UIOOFZCWSA-N	2	1	524.656	3.760	1	0		KHAFMP
CC[C@]12C=CC[N@@H+]3CC[C@@]4(c5cc([C@H]6/C=C(/c7ccccc7)CC[NH+]7C[C@H](C[C@@](O)(CC)C7)C6)c(OC)cc5N(C)[C@H]4[C@@](O)(C(N)=O)[C@@H]1O)[C@@H]32	ZINC000299850365	562890608	/nfs/dbraw/zinc/89/06/08/562890608.db2.gz	RRGVWMANSCEAFJ-MBIXMLMNSA-N	2	1	682.906	3.807	1	0		KHAFMP
CC[C@]12C=CC[N@H+]3CC[C@@]4(c5cc([C@H]6/C=C(/c7ccccc7)CC[NH+]7C[C@H](C[C@@](O)(CC)C7)C6)c(OC)cc5N(C)[C@H]4[C@@](O)(C(N)=O)[C@@H]1O)[C@@H]32	ZINC000299850365	562890607	/nfs/dbraw/zinc/89/06/07/562890607.db2.gz	RRGVWMANSCEAFJ-MBIXMLMNSA-N	2	1	682.906	3.807	1	0		KHAFMP
CC[C@]12C=CC[NH+]3CC[C@@]4(c5cc([C@H]6/C=C(/c7ccccc7)CC[N@H+]7C[C@H](C[C@@](O)(CC)C7)C6)c(OC)cc5N(C)[C@H]4[C@@](O)(C(N)=O)[C@@H]1O)[C@@H]32	ZINC000299850365	562890606	/nfs/dbraw/zinc/89/06/06/562890606.db2.gz	RRGVWMANSCEAFJ-MBIXMLMNSA-N	2	1	682.906	3.807	1	0		KHAFMP
C[NH+]1CCN(c2ccc(-c3n[nH]c4ccc(C(=O)NCC5([NH+]6CCOCC6)CCCCC5)cc43)cc2)CC1	ZINC000299861451	562893308	/nfs/dbraw/zinc/89/33/08/562893308.db2.gz	LKZXAQZZOSZHLE-UHFFFAOYSA-N	2	1	516.690	3.747	1	0		KHAFMP
COc1cc([C@@H]2c3cc4c(cc3[C@@H](NC(=O)CN3CC[NH+](CCCCCCCCCC[NH+]5CCNCC5)CC3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O	ZINC000473090844	562897621	/nfs/dbraw/zinc/89/76/21/562897621.db2.gz	AWAXXNITJSMXPD-FHKOVNTISA-N	2	1	749.950	3.874	1	0		KHAFMP
CCC[NH+](CCCNC(=O)CCC(=O)NCCC[N@H+](CCC)CCc1cccc2c1CC(=O)N2)CCc1cccc2c1CC(=O)N2	ZINC000473126419	562899749	/nfs/dbraw/zinc/89/97/49/562899749.db2.gz	SUQMUSUDBYIFKM-UHFFFAOYSA-N	2	1	632.850	3.678	1	0		KHAFMP
Cc1cc(C)c(CNC(=O)c2cc(-c3cnn(CC[NH+]4CCOCC4)c3)cc(N(C)[C@H]3CC[C@@H]([NH3+])CC3)c2C)c(=O)[nH]1	ZINC000473243796	562904722	/nfs/dbraw/zinc/90/47/22/562904722.db2.gz	BCZRVAOCBSUBRK-MKPDMIMOSA-N	2	1	575.758	3.544	1	0		KHAFMP
C[NH+]1CCN(CCCC[C@@H]2[C@H]3CCC[N@H+]4CCC[C@@H](CN2S(=O)(=O)c2cccc(C(F)(F)F)c2)[C@@H]34)CC1	ZINC000474604849	562905273	/nfs/dbraw/zinc/90/52/73/562905273.db2.gz	FLVBKGLENIPNOK-WSZJRCBQSA-N	2	1	542.712	3.987	1	0		KHAFMP
C[NH+]1CCN(CCCC[C@@H]2[C@H]3CCC[N@@H+]4CCC[C@@H](CN2S(=O)(=O)c2cccc(C(F)(F)F)c2)[C@@H]34)CC1	ZINC000474604849	562905272	/nfs/dbraw/zinc/90/52/72/562905272.db2.gz	FLVBKGLENIPNOK-WSZJRCBQSA-N	2	1	542.712	3.987	1	0		KHAFMP
CN1CC[NH+](CCCC[C@@H]2[C@H]3CCC[N@H+]4CCC[C@@H](CN2S(=O)(=O)c2cccc(C(F)(F)F)c2)[C@@H]34)CC1	ZINC000474604849	562905271	/nfs/dbraw/zinc/90/52/71/562905271.db2.gz	FLVBKGLENIPNOK-WSZJRCBQSA-N	2	1	542.712	3.987	1	0		KHAFMP
COCC[NH+]1CCN(c2nc3scc(-c4ccccc4)c3c(N3CCC(C[N@@H+](C)[C@@H]4CCN(C)C4)CC3)n2)CC1	ZINC000653680463	562906309	/nfs/dbraw/zinc/90/63/09/562906309.db2.gz	OLPNESUVOGBIBW-AREMUKBSSA-N	2	1	563.816	3.979	1	0		KHAFMP
COCC[NH+]1CCN(c2nc3scc(-c4ccccc4)c3c(N3CCC(C[N@H+](C)[C@@H]4CCN(C)C4)CC3)n2)CC1	ZINC000653680463	562906308	/nfs/dbraw/zinc/90/63/08/562906308.db2.gz	OLPNESUVOGBIBW-AREMUKBSSA-N	2	1	563.816	3.979	1	0		KHAFMP
COCC[NH+]1CCN(c2nc3scc(-c4ccccc4)c3c(N3CCC(C[N@@H+](C)[C@H]4CCN(C)C4)CC3)n2)CC1	ZINC000653680464	562906325	/nfs/dbraw/zinc/90/63/25/562906325.db2.gz	OLPNESUVOGBIBW-SANMLTNESA-N	2	1	563.816	3.979	1	0		KHAFMP
COCC[NH+]1CCN(c2nc3scc(-c4ccccc4)c3c(N3CCC(C[N@H+](C)[C@H]4CCN(C)C4)CC3)n2)CC1	ZINC000653680464	562906324	/nfs/dbraw/zinc/90/63/24/562906324.db2.gz	OLPNESUVOGBIBW-SANMLTNESA-N	2	1	563.816	3.979	1	0		KHAFMP
[NH3+]CCOCCOCCOCCOCC[NH+]1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1	ZINC000653704182	562907595	/nfs/dbraw/zinc/90/75/95/562907595.db2.gz	IHHQFBOSWSRNSV-UHFFFAOYSA-N	2	1	540.532	3.726	1	0		KHAFMP
Nc1[nH+]cnc2c1c(-c1ccc(F)c(OCC34CCC(CC3)O4)c1)cn2[C@H]1C[C@@H](CN2CCS(=O)CC2)C1	ZINC000653724576	562908954	/nfs/dbraw/zinc/90/89/54/562908954.db2.gz	AZQQNVIGOOLLIA-RMWMHFENSA-N	2	1	539.677	3.925	1	0		KHAFMP
CC(=O)N1CC[NH+]([C@H]2C[C@@H](n3cc(-c4cccc(OCC56CCC(CC5)O6)c4)c4c3nc[nH+]c4N)C2)CC1	ZINC000653729212	562909359	/nfs/dbraw/zinc/90/93/59/562909359.db2.gz	FMTQHAXNHBODDV-FYWDEPLMSA-N	2	1	516.646	3.639	1	0		KHAFMP
CC(=O)N1CC[NH+]([C@H]2C[C@@H](n3cc(-c4cccc(OCC56CCC(CC5)O6)c4F)c4c3nc[nH+]c4N)C2)CC1	ZINC000653733743	562909586	/nfs/dbraw/zinc/90/95/86/562909586.db2.gz	GDQNZUACBYERBG-NMHAHAAISA-N	2	1	534.636	3.778	1	0		KHAFMP
CC(=O)N1CC[NH+]([C@H]2C[C@@H](n3cc(-c4cc(OCC56CCC(CC5)O6)ccc4F)c4c3nc[nH+]c4N)C2)CC1	ZINC000653737780	562909875	/nfs/dbraw/zinc/90/98/75/562909875.db2.gz	YOTQLOMFEGZDSX-NMHAHAAISA-N	2	1	534.636	3.778	1	0		KHAFMP
CN1CC[C@@H]([N@@H+](C)CC2CCN(c3nc(N4CC[NH2+]CC4)nc4scc(-c5ccccc5)c43)CC2)C1	ZINC000653751529	562910685	/nfs/dbraw/zinc/91/06/85/562910685.db2.gz	IVYWBZWLYNTDJK-HSZRJFAPSA-N	2	1	505.736	3.620	1	0		KHAFMP
CN1CC[C@H]([N@@H+](C)CC2CCN(c3nc(N4CC[NH2+]CC4)nc4scc(-c5ccccc5)c43)CC2)C1	ZINC000653751530	562910675	/nfs/dbraw/zinc/91/06/75/562910675.db2.gz	IVYWBZWLYNTDJK-QHCPKHFHSA-N	2	1	505.736	3.620	1	0		KHAFMP
CN1CC[C@H]([N@@H+](C)CC2CCN(c3nc(N4CC[NH+](C)CC4)nc4scc(-c5ccccc5)c43)CC2)C1	ZINC000653775802	562911913	/nfs/dbraw/zinc/91/19/13/562911913.db2.gz	WGJRSLCQRLRDRN-DEOSSOPVSA-N	2	1	519.763	3.962	1	0		KHAFMP
CN1CC[C@H]([N@H+](C)CC2CCN(c3nc(N4CC[NH+](C)CC4)nc4scc(-c5ccccc5)c43)CC2)C1	ZINC000653775802	562911912	/nfs/dbraw/zinc/91/19/12/562911912.db2.gz	WGJRSLCQRLRDRN-DEOSSOPVSA-N	2	1	519.763	3.962	1	0		KHAFMP
CN1CC[C@@H]([N@@H+](C)CC2CCN(c3nc(N4CC[NH+](C)CC4)nc4scc(-c5ccccc5)c43)CC2)C1	ZINC000653775803	562911917	/nfs/dbraw/zinc/91/19/17/562911917.db2.gz	WGJRSLCQRLRDRN-XMMPIXPASA-N	2	1	519.763	3.962	1	0		KHAFMP
CN1CC[C@@H]([N@H+](C)CC2CCN(c3nc(N4CC[NH+](C)CC4)nc4scc(-c5ccccc5)c43)CC2)C1	ZINC000653775803	562911916	/nfs/dbraw/zinc/91/19/16/562911916.db2.gz	WGJRSLCQRLRDRN-XMMPIXPASA-N	2	1	519.763	3.962	1	0		KHAFMP
CN(Cc1ccc(Cl)cc1Cl)c1cc[nH+]c(N2CCC3(CCN(C(=O)[C@@H]4CCC[NH2+]4)C3)CC2)n1	ZINC000653848335	562915324	/nfs/dbraw/zinc/91/53/24/562915324.db2.gz	XJDIUCAMHVODIH-NRFANRHFSA-N	2	1	503.478	3.991	1	0		KHAFMP
CN(Cc1ccc(Cl)cc1Cl)c1cc[nH+]c(N2CCC3(CCN(C(=O)[C@H]4CCC[NH2+]4)C3)CC2)n1	ZINC000653848336	562915317	/nfs/dbraw/zinc/91/53/17/562915317.db2.gz	XJDIUCAMHVODIH-OAQYLSRUSA-N	2	1	503.478	3.991	1	0		KHAFMP
CN(C)C(=O)Oc1cccc(NC(=O)C2(C[NH+](C)C)CCN(c3[nH+]cnc4[nH]c5c(c43)CCCC5)CC2)c1	ZINC000653856163	562915723	/nfs/dbraw/zinc/91/57/23/562915723.db2.gz	AYRNUIDFFNFELA-UHFFFAOYSA-N	2	1	519.650	3.684	1	0		KHAFMP
CCOC(=O)N1CC[NH+](CCCOc2c(OC)ccc3cc4[n+](cc32)CCc2cc3c(cc2-4)OCO3)CC1	ZINC000653895420	562917352	/nfs/dbraw/zinc/91/73/52/562917352.db2.gz	HOLHPNVLGJYIAU-UHFFFAOYSA-N	2	1	520.606	3.631	1	0		KHAFMP
Oc1ccc2c3c1O[C@H]1c4[nH]c5c(c4C[C@]4(O)[C@@H](C2)[NH+](CC2CC2)CC[C@]314)C[C@@]1(O)[C@H]2Cc3ccc(O)c4c3[C@@]1(CC[N@@H+]2CC1CC1)[C@@H]5O4	ZINC000049771628	562678248	/nfs/dbraw/zinc/67/82/48/562678248.db2.gz	APSUXPSYBJVPPS-JEYCVXRYSA-N	2	1	661.799	3.824	3	0		KHAFMP
Oc1ccc2c3c1O[C@H]1c4[nH]c5c(c4C[C@]4(O)[C@@H](C2)[NH+](CC2CC2)CC[C@]314)C[C@@]1(O)[C@H]2Cc3ccc(O)c4c3[C@@]1(CC[N@H+]2CC1CC1)[C@@H]5O4	ZINC000049771628	562678247	/nfs/dbraw/zinc/67/82/47/562678247.db2.gz	APSUXPSYBJVPPS-JEYCVXRYSA-N	2	1	661.799	3.824	3	0		KHAFMP
Oc1ccc2c3c1O[C@H]1c4[nH]c5c(c4C[C@]4(O)[C@@H](C2)[N@@H+](CC2CC2)CC[C@]314)C[C@@]1(O)[C@H]2Cc3ccc(O)c4c3[C@@]1(CC[NH+]2CC1CC1)[C@@H]5O4	ZINC000049771628	562678246	/nfs/dbraw/zinc/67/82/46/562678246.db2.gz	APSUXPSYBJVPPS-JEYCVXRYSA-N	2	1	661.799	3.824	3	0		KHAFMP
CCc1[nH+]c2ccc(C(=O)Nc3cccc(NS(C)(=O)=O)c3)cn2c1N(CCC(C)C)CC[NH+](C)C	ZINC000061902966	562702976	/nfs/dbraw/zinc/70/29/76/562702976.db2.gz	POYARVSRAKTYAT-UHFFFAOYSA-N	2	1	514.696	3.935	3	0		KHAFMP
CCc1[nH+]c2ccc(C(=O)N3CCN(C(=O)c4ccco4)CC3)cn2c1N(CCC(C)C)CC[NH+](C)C	ZINC000061905349	562703031	/nfs/dbraw/zinc/70/30/31/562703031.db2.gz	OJQWRTSSYAJZMB-UHFFFAOYSA-N	2	1	508.667	3.502	3	0		KHAFMP
Oc1ccc2c3c1O[C@H]1c4[nH]c5c(c4C[C@]4(O)[C@@H](C2)[NH+](CC2CC2)CC[C@]314)C[C@@]1(O)[C@H]2Cc3ccc(O)c4c3[C@@]1(CC[N@@H+]2CC1CC1)[C@H]5O4	ZINC000072119073	562723779	/nfs/dbraw/zinc/72/37/79/562723779.db2.gz	APSUXPSYBJVPPS-UWKQMGJCSA-N	2	1	661.799	3.824	3	0		KHAFMP
Oc1ccc2c3c1O[C@H]1c4[nH]c5c(c4C[C@]4(O)[C@@H](C2)[NH+](CC2CC2)CC[C@]314)C[C@@]1(O)[C@H]2Cc3ccc(O)c4c3[C@@]1(CC[N@H+]2CC1CC1)[C@H]5O4	ZINC000072119073	562723778	/nfs/dbraw/zinc/72/37/78/562723778.db2.gz	APSUXPSYBJVPPS-UWKQMGJCSA-N	2	1	661.799	3.824	3	0		KHAFMP
Oc1ccc2c3c1O[C@H]1c4[nH]c5c(c4C[C@]4(O)[C@@H](C2)[N@@H+](CC2CC2)CC[C@]314)C[C@@]1(O)[C@H]2Cc3ccc(O)c4c3[C@@]1(CC[NH+]2CC1CC1)[C@H]5O4	ZINC000072119073	562723777	/nfs/dbraw/zinc/72/37/77/562723777.db2.gz	APSUXPSYBJVPPS-UWKQMGJCSA-N	2	1	661.799	3.824	3	0		KHAFMP
Oc1ccc2c3c1O[C@H]1c4[nH]c5c(c4C[C@]4(O)[C@@H](C2)[NH+](CC2CC2)CC[C@]314)C[C@]1(O)[C@H]2Cc3ccc(O)c4c3[C@@]1(CC[N@@H+]2CC1CC1)[C@H]5O4	ZINC000084475341	562743220	/nfs/dbraw/zinc/74/32/20/562743220.db2.gz	APSUXPSYBJVPPS-HJLGEKAPSA-N	2	1	661.799	3.824	3	0		KHAFMP