smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(=O)oc2cc(NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@@H]([NH3+])CO)ccc12	ZINC000002517192	555785578	/nfs/dbraw/zinc/78/55/78/555785578.db2.gz	IZBGRBDFCWTGBH-ROUUACIJSA-N	1	0	425.441	0.793	40	0		ICABRO
NC(=[NH2+])NCCC[C@H](NC(=O)c1ccc2ccccc2c1O)C(=O)N1CCC[C@H]1C(N)=O	ZINC000003809190	557529658	/nfs/dbraw/zinc/52/96/58/557529658.db2.gz	SKYWIMYOGAWOMB-IRXDYDNUSA-N	1	0	440.504	0.383	40	0	in-vitro	ICABRO
COC(=O)[C@@H](C)NC(=O)[C@@H]1CN(C(=O)C2CC[NH2+]CC2)CCN1C(=O)C1CCCCC1	ZINC000005398575	291312284	/nfs/dbraw/zinc/31/22/84/291312284.db2.gz	GQWHQTITTVFAGJ-QAPCUYQASA-N	1	0	436.553	0.283	40	0	biogenic,in-vitro	ICABRO
COC(=O)[C@@H](C)NC(=O)[C@@H]1CN(C(=O)c2cccc(F)c2)CCN1C(=O)C1CC[NH2+]CC1	ZINC000005398634	291312299	/nfs/dbraw/zinc/31/22/99/291312299.db2.gz	MCMYSAGTAYTLQT-KDOFPFPSSA-N	1	0	448.495	0.156	40	0	biogenic,in-vitro	ICABRO
O[C@@H]1CO[C@](O)(C[NH2+]CCc2c[nH]c3ccc(OCc4ccccc4)cc23)[C@H](O)[C@@H]1O	ZINC000005567534	556059382	/nfs/dbraw/zinc/05/93/82/556059382.db2.gz	XFWFNYDQKQTQMO-SSGKUCQKSA-N	1	0	428.485	0.681	40	0		ICABRO
O[C@@H]1CO[C@@](O)(C[NH2+]CCc2c[nH]c3ccc(OCc4ccccc4)cc23)[C@H](O)[C@@H]1O	ZINC000005567539	556059435	/nfs/dbraw/zinc/05/94/35/556059435.db2.gz	XFWFNYDQKQTQMO-ODAXIHTASA-N	1	0	428.485	0.681	40	0		ICABRO
O[C@@H]1CO[C@](O)(C[NH2+]CCc2c[nH]c3ccc(OCc4ccccc4)cc23)[C@@H](O)[C@@H]1O	ZINC000005567542	556059391	/nfs/dbraw/zinc/05/93/91/556059391.db2.gz	XFWFNYDQKQTQMO-BXXSPATCSA-N	1	0	428.485	0.681	40	0		ICABRO
O[C@@H]1CO[C@@](O)(C[NH2+]CCc2c[nH]c3ccc(OCc4ccccc4)cc23)[C@@H](O)[C@@H]1O	ZINC000005567543	556059328	/nfs/dbraw/zinc/05/93/28/556059328.db2.gz	XFWFNYDQKQTQMO-LUKWVAJMSA-N	1	0	428.485	0.681	40	0		ICABRO
COc1ccccc1N1CCN(C(=O)[C@H]2C[N@@H+]3CC[C@@H]2C[C@@H]3Cn2cc(CO)nn2)CC1	ZINC000008254132	557050467	/nfs/dbraw/zinc/05/04/67/557050467.db2.gz	VHWUWEVIMLHHOD-RLLQIKCJSA-N	1	0	440.548	0.838	40	0	biogenic,in-vitro	ICABRO
COc1ccccc1N1CCN(C(=O)[C@H]2C[N@@H+]3CC[C@H]2C[C@@H]3Cn2cc(CO)nn2)CC1	ZINC000008254136	291314657	/nfs/dbraw/zinc/31/46/57/291314657.db2.gz	VHWUWEVIMLHHOD-SXLOBPIMSA-N	1	0	440.548	0.838	40	0	biogenic,in-vitro	ICABRO
COc1ccc(-c2cn(C[C@H]3C[C@@H]4CC[N@@H+]3C[C@@H]4C(=O)NCCNC(C)=O)nn2)cc1	ZINC000008299062	291313790	/nfs/dbraw/zinc/31/37/90/291313790.db2.gz	YKMWREQRRVZKRI-NSHGMRRFSA-N	1	0	426.521	0.916	40	0	biogenic,in-vitro	ICABRO
CC(=O)NCCNC(=O)[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2Cn1cc(COc2ccccc2)nn1	ZINC000008299073	291310588	/nfs/dbraw/zinc/31/05/88/291310588.db2.gz	MIPUQHSQWFNHOI-DSKINZAPSA-N	1	0	426.521	0.820	40	0	biogenic,in-vitro	ICABRO
O=C(C[C@@H]1O[C@H](C[NH2+]Cc2ccccn2)[C@@H](O)[C@H]1O)N1CCN(c2ccc(F)cc2)CC1	ZINC000008627144	291316274	/nfs/dbraw/zinc/31/62/74/291316274.db2.gz	OXEOFLGTCAURAK-PABCKOPISA-N	1	0	444.507	0.538	40	0	biogenic,in-vitro	ICABRO
COCCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@]1([NH2+][C@H]2CCC(N)=O)c2cc(Cl)ccc2NC1=O	ZINC000008970818	556237616	/nfs/dbraw/zinc/23/76/16/556237616.db2.gz	NUZGAAJRLNCEEO-XCGRYBKZSA-N	1	0	434.880	0.362	40	0		ICABRO
COCCCN1C(=O)[C@H]2[C@@H](CCC(N)=O)[NH2+][C@]3(c4cc(Cl)ccc4NC3=O)[C@@H]2C1=O	ZINC000008970822	556237573	/nfs/dbraw/zinc/23/75/73/556237573.db2.gz	NUZGAAJRLNCEEO-WJCADGGCSA-N	1	0	434.880	0.362	40	0		ICABRO
C[NH+](C)CCNC(=O)CN(c1ccc(I)cc1)S(C)(=O)=O	ZINC000010111594	569221120	/nfs/dbraw/zinc/22/11/20/569221120.db2.gz	SXUMFEDMWMTHOW-UHFFFAOYSA-N	1	0	425.292	0.735	40	0		ICABRO
COc1ccc2c(c1)C(=O)N[C@]1(CN(C(=O)[C@@H]3CCC[NH2+]C3)C[C@@H]1C(=O)N(C)C)CC2	ZINC000012125636	525509073	/nfs/dbraw/zinc/50/90/73/525509073.db2.gz	KUFILJFFLWNECK-HFXUHXBXSA-N	1	0	428.533	0.656	40	0		ICABRO
COc1ccc2c(c1)C(=O)N[C@]1(CN(C(=O)[C@H]3CCC[NH2+]C3)C[C@@H]1C(=O)N(C)C)CC2	ZINC000012125646	525509100	/nfs/dbraw/zinc/50/91/00/525509100.db2.gz	KUFILJFFLWNECK-QUZZAMIASA-N	1	0	428.533	0.656	40	0		ICABRO
COc1cc([C@@H]2NC(=[NH2+])NC(=N)N2c2ccc(S(N)(=O)=O)cc2)cc(OC)c1OC	ZINC000012410619	522929532	/nfs/dbraw/zinc/92/95/32/522929532.db2.gz	JMIQVZFZDDUZCH-MRXNPFEDSA-N	1	0	434.478	0.927	40	0		ICABRO
CC(=O)N1CCN([C@H]2[C@@H]3OC[C@@H](O3)[C@@H]([NH2+]Cc3ccc(OC(F)(F)F)cc3)[C@@H]2O)CC1	ZINC000012483096	519591270	/nfs/dbraw/zinc/59/12/70/519591270.db2.gz	PWNDBFKJQHJEAS-IEWDOMPSSA-N	1	0	445.438	0.692	40	0	biogenic,in-vitro	ICABRO
S=C(NCCN1CCOCC1)NC[C@H]1C[C@@H]2CCN1C[C@@H]2C[NH+]1CCSCC1	ZINC000012602648	291318416	/nfs/dbraw/zinc/31/84/16/291318416.db2.gz	FRVVNKGWOPAEBG-GBESFXJTSA-N	1	0	427.684	0.542	40	0	biogenic,in-vitro	ICABRO
CCN1C(=O)C[C@@H]([NH+]2CCC(C3CCN(S(=O)(=O)N4CCCC4)CC3)CC2)C1=O	ZINC000015084303	556501882	/nfs/dbraw/zinc/50/18/82/556501882.db2.gz	GNESNGOWWPNSGP-GOSISDBHSA-N	1	0	426.583	0.898	40	0		ICABRO
NC(=O)C1CCN(C(=O)[C@H]2C[N@@H+]3CC[C@H]2C[C@@H]3Cn2cc(-c3cccc(N)c3)nn2)CC1	ZINC000015672378	291316066	/nfs/dbraw/zinc/31/60/66/291316066.db2.gz	URPQZJAUJLTZMU-DBVUQKKJSA-N	1	0	437.548	0.962	40	0	biogenic,in-vitro	ICABRO
CCOc1cc(C[NH2+]CCNC(=O)c2nonc2N)ccc1OCC(=O)NC(C)(C)C	ZINC000016688911	556627042	/nfs/dbraw/zinc/62/70/42/556627042.db2.gz	OWKHSRLFZRJNPY-UHFFFAOYSA-N	1	0	434.497	0.864	40	0		ICABRO
C[C@@]1(C(=O)c2ccccc2N)[C@H](C(=O)N2CCOCC2)[C@@H]1C(=O)NCC[NH+]1CCCC1	ZINC000019575375	556814658	/nfs/dbraw/zinc/81/46/58/556814658.db2.gz	KZWWEQQLNYRYOS-MSYCTHLASA-N	1	0	428.533	0.775	40	0		ICABRO
CN(C)S(=O)(=O)N1CCc2nc([C@@H]3CCC[N@@H+](C4CCOCC4)C3)[nH]c(=O)c2C1	ZINC000019583759	556821417	/nfs/dbraw/zinc/82/14/17/556821417.db2.gz	YDSZUARSIWUSOJ-CQSZACIVSA-N	1	0	425.555	0.705	40	0		ICABRO
CN(C)S(=O)(=O)N1CCc2nc([C@H]3CCC[N@@H+](C4CCOCC4)C3)[nH]c(=O)c2C1	ZINC000019583761	556821342	/nfs/dbraw/zinc/82/13/42/556821342.db2.gz	YDSZUARSIWUSOJ-AWEZNQCLSA-N	1	0	425.555	0.705	40	0		ICABRO
CN(C)S(=O)(=O)N1CCc2nc([C@@H]3CCC[N@H+](CC4=CCCOC4)C3)[nH]c(=O)c2C1	ZINC000019583764	556821266	/nfs/dbraw/zinc/82/12/66/556821266.db2.gz	QSWOKVUMZCYIPC-MRXNPFEDSA-N	1	0	437.566	0.873	40	0		ICABRO
CN(C)S(=O)(=O)N1CCc2nc([C@H]3CCC[N@H+](CC4=CCCOC4)C3)[nH]c(=O)c2C1	ZINC000019583767	556821322	/nfs/dbraw/zinc/82/13/22/556821322.db2.gz	QSWOKVUMZCYIPC-INIZCTEOSA-N	1	0	437.566	0.873	40	0		ICABRO
CN(C)S(=O)(=O)N1CCc2nc([C@@H]3CCC[N@H+](Cc4cccnc4)C3)[nH]c(=O)c2C1	ZINC000019583796	556821244	/nfs/dbraw/zinc/82/12/44/556821244.db2.gz	DZYBDPVDLVCIPZ-MRXNPFEDSA-N	1	0	432.550	0.709	40	0		ICABRO
CN(C)S(=O)(=O)N1CCc2nc([C@H]3CCC[N@H+](Cc4cccnc4)C3)[nH]c(=O)c2C1	ZINC000019583799	556821421	/nfs/dbraw/zinc/82/14/21/556821421.db2.gz	DZYBDPVDLVCIPZ-INIZCTEOSA-N	1	0	432.550	0.709	40	0		ICABRO
CN(Cc1ccc(C[N@@H+]2CCc3nc(-c4cnccn4)[nH]c(=O)c3CC2)o1)S(C)(=O)=O	ZINC000019586439	556823189	/nfs/dbraw/zinc/82/31/89/556823189.db2.gz	BILHOGPDVSXSGL-UHFFFAOYSA-N	1	0	444.517	0.812	40	0		ICABRO
COc1ncc([C@]2(O)CC[C@H]3C[N@H+](Cc4cnc(N5CCOCC5)nc4)C[C@H]32)c(OC)n1	ZINC000019594865	556830257	/nfs/dbraw/zinc/83/02/57/556830257.db2.gz	BBLFNZDQLITSHA-AQOAWAETSA-N	1	0	442.520	0.850	40	0		ICABRO
CC1CC[NH+](CC(=O)NCCc2nc(N3CCOCC3)ncc2C(=O)N2CCCC2)CC1	ZINC000019697757	556855507	/nfs/dbraw/zinc/85/55/07/556855507.db2.gz	SCXDWYWUIORPMT-UHFFFAOYSA-N	1	0	444.580	0.940	40	0		ICABRO
C[C@H](C(=O)NCCc1nc(N2CCOCC2)ncc1C(=O)N1CCCC1)[NH+]1CCCC1	ZINC000019697766	556855482	/nfs/dbraw/zinc/85/54/82/556855482.db2.gz	BOLKMNPNYDTGST-QGZVFWFLSA-N	1	0	430.553	0.692	40	0		ICABRO
C[C@@H](C(=O)NCCc1nc(N2CCOCC2)ncc1C(=O)N1CCCC1)[NH+]1CCCC1	ZINC000019697767	556855519	/nfs/dbraw/zinc/85/55/19/556855519.db2.gz	BOLKMNPNYDTGST-KRWDZBQOSA-N	1	0	430.553	0.692	40	0		ICABRO
C[C@@H]1CCC[N@H+](CC(=O)NCCc2nc(N3CCOCC3)ncc2C(=O)N2CCCC2)C1	ZINC000019697814	556855771	/nfs/dbraw/zinc/85/57/71/556855771.db2.gz	NVBFOWBSCHVWDR-GOSISDBHSA-N	1	0	444.580	0.940	40	0		ICABRO
C[C@H]1CCC[N@H+](CC(=O)NCCc2nc(N3CCOCC3)ncc2C(=O)N2CCCC2)C1	ZINC000019697815	556855756	/nfs/dbraw/zinc/85/57/56/556855756.db2.gz	NVBFOWBSCHVWDR-SFHVURJKSA-N	1	0	444.580	0.940	40	0		ICABRO
CC[NH+](CC)CC(=O)N1CCC(N2C(=O)NC3(CCN(C(=O)C(C)C)CC3)C2=O)CC1	ZINC000019699381	556858594	/nfs/dbraw/zinc/85/85/94/556858594.db2.gz	GLSIEGUTSKWEBJ-UHFFFAOYSA-N	1	0	435.569	0.888	40	0		ICABRO
CC(=O)NCC(=O)N1CCC(N2C(=O)NC3(CC[NH+](Cc4ccccc4)CC3)C2=O)CC1	ZINC000019699460	569230626	/nfs/dbraw/zinc/23/06/26/569230626.db2.gz	PJGSSAYQOGNJFF-UHFFFAOYSA-N	1	0	441.532	0.700	40	0		ICABRO
CC[NH+](CC)CC(=O)N1CCC[C@@H](N2C(=O)NC3(CCN(C(=O)C(C)C)CC3)C2=O)C1	ZINC000019699590	556859115	/nfs/dbraw/zinc/85/91/15/556859115.db2.gz	JYFFIASDJMFDOE-QGZVFWFLSA-N	1	0	435.569	0.888	40	0		ICABRO
CC[NH+](CC)CC(=O)N1CCC[C@H](N2C(=O)NC3(CCN(C(=O)C(C)C)CC3)C2=O)C1	ZINC000019699591	556859137	/nfs/dbraw/zinc/85/91/37/556859137.db2.gz	JYFFIASDJMFDOE-KRWDZBQOSA-N	1	0	435.569	0.888	40	0		ICABRO
CC(=O)NCC(=O)N1CCC[C@@H](N2C(=O)NC3(CC[NH+](Cc4ccccc4)CC3)C2=O)C1	ZINC000019699884	569230900	/nfs/dbraw/zinc/23/09/00/569230900.db2.gz	BMWVROAAFJLFOJ-LJQANCHMSA-N	1	0	441.532	0.700	40	0		ICABRO
CC(=O)NCC(=O)N1CCC[C@H](N2C(=O)NC3(CC[NH+](Cc4ccccc4)CC3)C2=O)C1	ZINC000019699885	569230848	/nfs/dbraw/zinc/23/08/48/569230848.db2.gz	BMWVROAAFJLFOJ-IBGZPJMESA-N	1	0	441.532	0.700	40	0		ICABRO
CNc1nc(C2CC[NH+](CCC(=O)N3CCOCC3)CC2)nc2c1CCN(C(C)=O)C2	ZINC000019710955	556875138	/nfs/dbraw/zinc/87/51/38/556875138.db2.gz	VIWUICZZFCNNBM-UHFFFAOYSA-N	1	0	430.553	0.851	40	0		ICABRO
Cc1nc(C2CCN(C(=O)[C@@H]3CCC[N@H+](CCC(N)=O)C3)CC2)nc2c1CCC(=O)N2C	ZINC000019739304	556877214	/nfs/dbraw/zinc/87/72/14/556877214.db2.gz	FHKIZHYPAMGQCI-QGZVFWFLSA-N	1	0	442.564	0.987	40	0		ICABRO
Cc1nc(C2CCN(C(=O)[C@H]3CCC[N@H+](CCC(N)=O)C3)CC2)nc2c1CCC(=O)N2C	ZINC000019739305	556877231	/nfs/dbraw/zinc/87/72/31/556877231.db2.gz	FHKIZHYPAMGQCI-KRWDZBQOSA-N	1	0	442.564	0.987	40	0		ICABRO
COCCn1c(=O)n(C)c(=O)c2ccc(C3CCN(C(=O)C4CC[NH+](C)CC4)CC3)nc21	ZINC000019743003	556887017	/nfs/dbraw/zinc/88/70/17/556887017.db2.gz	AGZBLRAGGMYNCE-UHFFFAOYSA-N	1	0	443.548	0.789	40	0		ICABRO
CCOc1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)CN2CC[NH+](CC)CC2)cc1	ZINC000019818691	556921729	/nfs/dbraw/zinc/92/17/29/556921729.db2.gz	PYYZXBXPINGXCE-IBGZPJMESA-N	1	0	431.537	0.378	40	0		ICABRO
CCOc1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)CN2CC[NH+](CC)CC2)cc1	ZINC000019818692	556921762	/nfs/dbraw/zinc/92/17/62/556921762.db2.gz	PYYZXBXPINGXCE-LJQANCHMSA-N	1	0	431.537	0.378	40	0		ICABRO
CC[NH+]1CCN(CC(=O)N2CCNC(=O)[C@@H]2CC(=O)Nc2ccc(C)c(Cl)c2)CC1	ZINC000019818723	556921624	/nfs/dbraw/zinc/92/16/24/556921624.db2.gz	XAFOZODGXYIQNL-SFHVURJKSA-N	1	0	435.956	0.942	40	0		ICABRO
CC[NH+]1CCN(CC(=O)N2CCNC(=O)[C@H]2CC(=O)Nc2ccc(C)c(Cl)c2)CC1	ZINC000019818724	556921671	/nfs/dbraw/zinc/92/16/71/556921671.db2.gz	XAFOZODGXYIQNL-GOSISDBHSA-N	1	0	435.956	0.942	40	0		ICABRO
CC[NH+]1CCN([C@@H](c2nnnn2CCOC)c2cc3cc4c(cc3[nH]c2=O)OCO4)CC1	ZINC000019973380	557511660	/nfs/dbraw/zinc/51/16/60/557511660.db2.gz	RMZUKIIBACZYNK-LJQANCHMSA-N	1	0	441.492	0.617	40	0		ICABRO
CC[NH+]1CCN([C@H](c2nnnn2CCOC)c2cc3cc4c(cc3[nH]c2=O)OCO4)CC1	ZINC000019973381	557511691	/nfs/dbraw/zinc/51/16/91/557511691.db2.gz	RMZUKIIBACZYNK-IBGZPJMESA-N	1	0	441.492	0.617	40	0		ICABRO
COc1ccccc1N1CCN([C@H]2[C@@H]3OC[C@@H](O3)[C@@H]([NH2+]Cc3ccncc3)[C@@H]2O)CC1	ZINC000020463826	524562978	/nfs/dbraw/zinc/56/29/78/524562978.db2.gz	YRNLUHYQHIKWCG-FWKCKQQBSA-N	1	0	426.517	0.855	40	0	biogenic,in-vitro	ICABRO
NC(=O)C1CCN([C@H]2[C@@H]3OC[C@@H](O3)[C@@H]([NH2+]Cc3ccc(OC(F)(F)F)cc3)[C@@H]2O)CC1	ZINC000020463887	526857750	/nfs/dbraw/zinc/85/77/50/526857750.db2.gz	RSDKNTKBZFDGLT-ZQOJQMTGSA-N	1	0	445.438	0.725	40	0	biogenic,in-vitro	ICABRO
COc1ccc(C(=O)NC[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2N2CCN(c3ccccc3)CC2)cc1	ZINC000020464888	523710108	/nfs/dbraw/zinc/71/01/08/523710108.db2.gz	DSKYTSPXYITEET-WZYRSQIMSA-N	1	0	441.528	0.736	40	0	biogenic,in-vitro	ICABRO
COc1ccc(S(=O)(=O)NC[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2N2CCc3ccccc3C2)cc1	ZINC000020465225	525065394	/nfs/dbraw/zinc/06/53/94/525065394.db2.gz	CYHRNRNMXUXDSC-CLAROIROSA-N	1	0	448.541	0.521	40	0	biogenic,in-vitro	ICABRO
COc1ccc(C(=O)NC[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2N2CCN(c3ccccn3)CC2)cc1	ZINC000020465610	523709729	/nfs/dbraw/zinc/70/97/29/523709729.db2.gz	YDCIVLGBEYIGBY-XMGTWHOFSA-N	1	0	442.516	0.131	40	0	biogenic,in-vitro	ICABRO
C[N@H+](CCc1ccccc1)[C@H]1[C@@H](CNS(=O)(=O)c2ccc(F)cc2)O[C@@H](CO)[C@H]1O	ZINC000020465785	522956715	/nfs/dbraw/zinc/95/67/15/522956715.db2.gz	OAFVYMQCMWRKBG-IVAOSVALSA-N	1	0	438.521	0.768	40	0	biogenic,in-vitro	ICABRO
C[N@H+](CCc1ccccn1)[C@H]1[C@@H](CNS(=O)(=O)c2cccs2)O[C@@H](CO)[C@H]1O	ZINC000020465869	522965703	/nfs/dbraw/zinc/96/57/03/522965703.db2.gz	NOJWAJOEAMURLF-MXSMSXNCSA-N	1	0	427.548	0.085	40	0	biogenic,in-vitro	ICABRO
C[N@H+](CCc1ccccn1)[C@H]1[C@@H](CNS(=O)(=O)c2ccc(F)cc2)O[C@@H](CO)[C@H]1O	ZINC000020465875	522964747	/nfs/dbraw/zinc/96/47/47/522964747.db2.gz	RDUKKZYGMBRTNQ-FUMNGEBKSA-N	1	0	439.509	0.163	40	0	biogenic,in-vitro	ICABRO
Cc1ccc(S(=O)(=O)NC[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2[N@H+](C)CCc2ccccn2)cc1	ZINC000020465881	525577466	/nfs/dbraw/zinc/57/74/66/525577466.db2.gz	RYGWLXFEDYTBCQ-IVAOSVALSA-N	1	0	435.546	0.332	40	0	biogenic,in-vitro	ICABRO
COc1cccc(NC(=O)NC[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2[N@H+](C)CCc2ccccn2)c1	ZINC000020465903	526192037	/nfs/dbraw/zinc/19/20/37/526192037.db2.gz	QXJJUDAFIIQPOT-IVAOSVALSA-N	1	0	430.505	0.875	40	0	biogenic,in-vitro	ICABRO
O=C(C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(CN2CCOCC2)on1)NCCN1CCOCC1	ZINC000020504022	527125687	/nfs/dbraw/zinc/12/56/87/527125687.db2.gz	QDMKVVJKVYXNRH-OALUTQOASA-N	1	0	435.569	0.114	40	0	biogenic,in-vitro	ICABRO
Cc1cn2c(nc3c2c(=O)n(Cc2ccc(C)cc2)c(=O)n3C)n1CCN1CC[NH2+]CC1	ZINC000020816627	525943318	/nfs/dbraw/zinc/94/33/18/525943318.db2.gz	BTQDAWOPIDJLOC-UHFFFAOYSA-N	1	0	435.532	0.720	40	0		ICABRO
Cc1cn2c(nc3c2c(=O)n(Cc2ccccc2F)c(=O)n3C)n1CCN1CC[NH2+]CC1	ZINC000020816635	525942939	/nfs/dbraw/zinc/94/29/39/525942939.db2.gz	AXUMQEMXLKCQGJ-UHFFFAOYSA-N	1	0	439.495	0.550	40	0		ICABRO
Cc1cn2c(nc3c2c(=O)n(Cc2ccc(F)cc2)c(=O)n3C)n1CCN1CC[NH2+]CC1	ZINC000020816639	525944096	/nfs/dbraw/zinc/94/40/96/525944096.db2.gz	MHEBMGPSKLEZBW-UHFFFAOYSA-N	1	0	439.495	0.550	40	0		ICABRO
Cc1ccc(C)c(N(CC(=O)NCCCN2CC[NH+](C)CC2)S(=O)(=O)N(C)C)c1	ZINC000022511889	524117274	/nfs/dbraw/zinc/11/72/74/524117274.db2.gz	KADYQSWQWPSDJK-UHFFFAOYSA-N	1	0	425.599	0.670	40	0		ICABRO
C[NH+]1CCN(CCCNC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)CC1	ZINC000022525172	523897527	/nfs/dbraw/zinc/89/75/27/523897527.db2.gz	JNKMDFLZTPZELK-KRWDZBQOSA-N	1	0	430.958	0.621	40	0		ICABRO
C[NH+]1CCN(CCCNC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)CC1	ZINC000022525178	523896517	/nfs/dbraw/zinc/89/65/17/523896517.db2.gz	JNKMDFLZTPZELK-QGZVFWFLSA-N	1	0	430.958	0.621	40	0		ICABRO
COc1ccc(N(CC(=O)NCCCN2CC[NH+](C)CC2)S(C)(=O)=O)cc1Cl	ZINC000022829588	557271253	/nfs/dbraw/zinc/27/12/53/557271253.db2.gz	MYKMGXBXJWYXIC-UHFFFAOYSA-N	1	0	432.974	0.868	40	0		ICABRO
C[NH+]1CCN(CCCNC(=O)CN(c2ccccc2Br)S(C)(=O)=O)CC1	ZINC000022829597	557271086	/nfs/dbraw/zinc/27/10/86/557271086.db2.gz	DZXGBKBFJXXMDB-UHFFFAOYSA-N	1	0	447.399	0.969	40	0		ICABRO
COc1ccc(S(=O)(=O)NCCCN2CC[NH+](C)CC2)cc1C(=O)N1CCOCC1	ZINC000022829884	557271050	/nfs/dbraw/zinc/27/10/50/557271050.db2.gz	MWJJDRJSQNTMBW-UHFFFAOYSA-N	1	0	440.566	0.083	40	0		ICABRO
C[NH+]1CCN(CCCNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)CC1	ZINC000022829932	557271576	/nfs/dbraw/zinc/27/15/76/557271576.db2.gz	IITLHXDSEREZCO-UHFFFAOYSA-N	1	0	444.985	0.728	40	0		ICABRO
CCS(=O)(=O)N(CC(=O)NCCCN1CC[NH+](C)CC1)c1ccc2c(c1)OCCO2	ZINC000022829991	557271697	/nfs/dbraw/zinc/27/16/97/557271697.db2.gz	FKXGERFCJKQNIR-UHFFFAOYSA-N	1	0	440.566	0.368	40	0		ICABRO
COC[C@H]1CCCN1C(=O)CC[C@@H]1CNC(=O)[C@@H]2C[C@H]([NH2+]Cc3ccc(CO)o3)CN21	ZINC000022922353	556341286	/nfs/dbraw/zinc/34/12/86/556341286.db2.gz	JVIWVFOHASWUFU-XLSPSMHOSA-N	1	0	434.537	0.220	40	0	biogenic,in-vitro	ICABRO
Cc1ccc(CN2CC[C@@H]3[C@H]2C(=O)NC[C@H](CCC(=O)N2CCN(C)CC2)[N@H+]3C)cc1	ZINC000022923502	556341479	/nfs/dbraw/zinc/34/14/79/556341479.db2.gz	GIPWNCGSPMWBBI-XJUOHMSHSA-N	1	0	427.593	0.922	40	0	biogenic,in-vitro	ICABRO
COc1ccc(Cl)cc1N(CC(=O)NCCCN1CC[NH+](C)CC1)S(C)(=O)=O	ZINC000022933224	557051204	/nfs/dbraw/zinc/05/12/04/557051204.db2.gz	PZJRKIINLUXBAS-UHFFFAOYSA-N	1	0	432.974	0.868	40	0		ICABRO
CCS(=O)(=O)N(CC(=O)NCCCN1CC[NH+](C)CC1)c1ccc2c(c1)OCO2	ZINC000022933312	557051055	/nfs/dbraw/zinc/05/10/55/557051055.db2.gz	LVUHZWRFZFQIGM-UHFFFAOYSA-N	1	0	426.539	0.325	40	0		ICABRO
C[NH+]1CCN(CCCNC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)CC1	ZINC000022933457	557051336	/nfs/dbraw/zinc/05/13/36/557051336.db2.gz	QKTJXJKOKXRNBS-UHFFFAOYSA-N	1	0	447.399	0.969	40	0		ICABRO
COc1ccc(N(CC(=O)NCCCN2CC[NH+](C)CC2)S(C)(=O)=O)c(OC)c1	ZINC000022933905	557051606	/nfs/dbraw/zinc/05/16/06/557051606.db2.gz	MVJJAKXUKGZKAB-UHFFFAOYSA-N	1	0	428.555	0.224	40	0		ICABRO
COc1ccc(N(CC(=O)NCCCN2CC[NH+](C)CC2)S(C)(=O)=O)cc1OC	ZINC000022934581	557051935	/nfs/dbraw/zinc/05/19/35/557051935.db2.gz	FNTDDCDQWVSXEL-UHFFFAOYSA-N	1	0	428.555	0.224	40	0		ICABRO
C[NH+]1CCN(CCCNC(=O)CCCN(c2ccc3c(c2)OCO3)S(C)(=O)=O)CC1	ZINC000022934607	557052022	/nfs/dbraw/zinc/05/20/22/557052022.db2.gz	DVQWROGHLHFSBR-UHFFFAOYSA-N	1	0	440.566	0.715	40	0		ICABRO
COc1ccc(OC)c(N(CC(=O)NCCCN2CC[NH+](C)CC2)S(C)(=O)=O)c1	ZINC000022934714	557052205	/nfs/dbraw/zinc/05/22/05/557052205.db2.gz	FGZMTHDSSUWNQK-UHFFFAOYSA-N	1	0	428.555	0.224	40	0		ICABRO
C[NH+]1CCN(CCCNC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)CC1	ZINC000022934813	557052118	/nfs/dbraw/zinc/05/21/18/557052118.db2.gz	PDEZCIFEIJZLCX-UHFFFAOYSA-N	1	0	447.399	0.969	40	0		ICABRO
CCOc1ccc(N([C@@H](C)C(=O)NCCCN2CC[NH+](C)CC2)S(C)(=O)=O)cc1	ZINC000022934846	557052215	/nfs/dbraw/zinc/05/22/15/557052215.db2.gz	IROMEZYMEKBOPD-KRWDZBQOSA-N	1	0	426.583	0.994	40	0		ICABRO
CCOc1ccc(N([C@H](C)C(=O)NCCCN2CC[NH+](C)CC2)S(C)(=O)=O)cc1	ZINC000022934850	557052000	/nfs/dbraw/zinc/05/20/00/557052000.db2.gz	IROMEZYMEKBOPD-QGZVFWFLSA-N	1	0	426.583	0.994	40	0		ICABRO
C[C@H](C(=O)NCCCN1CC[NH+](C)CC1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O	ZINC000022934910	557052224	/nfs/dbraw/zinc/05/22/24/557052224.db2.gz	KOFSVQXQGZYNLF-MRXNPFEDSA-N	1	0	440.566	0.366	40	0		ICABRO
C[C@@H](C(=O)NCCCN1CC[NH+](C)CC1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O	ZINC000022934914	557052181	/nfs/dbraw/zinc/05/21/81/557052181.db2.gz	KOFSVQXQGZYNLF-INIZCTEOSA-N	1	0	440.566	0.366	40	0		ICABRO
COc1ccc(S(=O)(=O)NCCN2CC[NH+](C)CC2)cc1I	ZINC000022935042	557051968	/nfs/dbraw/zinc/05/19/68/557051968.db2.gz	ZXFTZOVGCHMGRQ-UHFFFAOYSA-N	1	0	439.319	0.826	40	0		ICABRO
COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCCCN1CC[NH+](C)CC1	ZINC000022935105	557052384	/nfs/dbraw/zinc/05/23/84/557052384.db2.gz	RCWZRWHZYGGGPT-UHFFFAOYSA-N	1	0	440.566	0.083	40	0		ICABRO
O=C(CC[C@@H]1CNC(=O)[C@@H]2C[C@H]([NH2+]Cc3ccc(CO)o3)CN21)NCc1ccccc1	ZINC000022936792	556449733	/nfs/dbraw/zinc/44/97/33/556449733.db2.gz	QDKSRJDHSCPBLQ-UEXGIBASSA-N	1	0	426.517	0.899	40	0	biogenic,in-vitro	ICABRO
COc1ccc(C[NH2+][C@H]2C[C@H]3C(=O)NC[C@@H](CCC(=O)N4CCC(O)CC4)N3C2)cc1	ZINC000022937006	556450140	/nfs/dbraw/zinc/45/01/40/556450140.db2.gz	ILCXZVGMXFUIJT-UEXGIBASSA-N	1	0	430.549	0.490	40	0	biogenic,in-vitro	ICABRO
NC(=O)CC[C@@H]1[NH2+][C@]2(C(=O)Nc3c2cccc3Cl)[C@H]2C(=O)N(C[C@@H]3CCCO3)C(=O)[C@H]12	ZINC000026816297	557508165	/nfs/dbraw/zinc/50/81/65/557508165.db2.gz	QLVGCLALYCJYMZ-BRTIUOKESA-N	1	0	446.891	0.505	40	0		ICABRO
NC(=O)CC[C@@H]1[NH2+][C@]2(C(=O)Nc3ccc(Cl)cc32)[C@H]2C(=O)N(C[C@@H]3CCCO3)C(=O)[C@H]12	ZINC000026816616	557508080	/nfs/dbraw/zinc/50/80/80/557508080.db2.gz	IHORFNLQKOWMTR-NHBSZSFCSA-N	1	0	446.891	0.505	40	0		ICABRO
COc1ccc(S(=O)(=O)NC[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2[N@H+](C)Cc2ccccc2)cc1	ZINC000030879700	291314258	/nfs/dbraw/zinc/31/42/58/291314258.db2.gz	RUTOXJIHETVKJC-IVAOSVALSA-N	1	0	436.530	0.595	40	0	biogenic,in-vitro	ICABRO
CC(C)[N@@H+]1CC[C@@H]2[C@H]1C(=O)NC[C@H](CCC(=O)N1CCN(c3ccccn3)CC1)N2C	ZINC000035442493	519688781	/nfs/dbraw/zinc/68/87/81/519688781.db2.gz	CJERDTNQWWEJBT-JQVVWYNYSA-N	1	0	428.581	0.792	40	0	biogenic,in-vitro	ICABRO
COc1ccc(CN2CC[C@@H]3[C@H]2C(=O)NC[C@H](CCC(=O)N2CCOCC2)[N@@H+]3C)cc1	ZINC000035442501	524037604	/nfs/dbraw/zinc/03/76/04/524037604.db2.gz	JQLGJSZODRLPFH-DWLFOUALSA-N	1	0	430.549	0.707	40	0	biogenic,in-vitro	ICABRO
CC[NH+]1CCN(c2ncc(-c3cc(=O)[nH]c(N4CCC(C(N)=O)CC4)n3)c(C)n2)CC1	ZINC000040389122	556636887	/nfs/dbraw/zinc/63/68/87/556636887.db2.gz	IWEJZAIJDDFIOS-UHFFFAOYSA-N	1	0	426.525	0.379	40	0		ICABRO
O=C(c1ccc2c(c1)nc1n(c2=O)CC[N@H+](Cc2ccccc2)CC1)N(CCO)CCO	ZINC000057761863	557261877	/nfs/dbraw/zinc/26/18/77/557261877.db2.gz	FEPUMNIAWZBJAT-UHFFFAOYSA-N	1	0	436.512	0.882	40	0		ICABRO
CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N1CCN(C(=O)CCn2ccc3ccncc32)CC1	ZINC000057773748	569441420	/nfs/dbraw/zinc/44/14/20/569441420.db2.gz	MINPRRZJGUNPCF-JXFKEZNVSA-N	1	0	428.537	0.585	40	0		ICABRO
CC(C)[C@@H]([NH3+])C(=O)N[C@@H](C)C(=O)N1CCN(C(=O)CCn2ccc3ccncc32)CC1	ZINC000057773751	569441472	/nfs/dbraw/zinc/44/14/72/569441472.db2.gz	MINPRRZJGUNPCF-OXJNMPFZSA-N	1	0	428.537	0.585	40	0		ICABRO
CC(C)[C@H]([NH3+])C(=O)N[C@H](C)C(=O)N1CCN(C(=O)CCn2ccc3ccncc32)CC1	ZINC000057773755	569441468	/nfs/dbraw/zinc/44/14/68/569441468.db2.gz	MINPRRZJGUNPCF-UZLBHIALSA-N	1	0	428.537	0.585	40	0		ICABRO
CC(C)[C@@H]([NH3+])C(=O)N[C@H](C)C(=O)N1CCN(C(=O)CCn2ccc3ccncc32)CC1	ZINC000057773762	569441465	/nfs/dbraw/zinc/44/14/65/569441465.db2.gz	MINPRRZJGUNPCF-OXQOHEQNSA-N	1	0	428.537	0.585	40	0		ICABRO
CC(C)NC(=O)[C@@H]1[C@@H]2C(=O)NN=C(c3ccccc3NC(=O)CN(C)CC[NH+](C)C)[C@]12C	ZINC000057774725	557264307	/nfs/dbraw/zinc/26/43/07/557264307.db2.gz	UZYIJQGRWSRXSH-YCRNBWNJSA-N	1	0	442.564	0.729	40	0		ICABRO
COCCNC(=S)NC[C@H]1C[C@@H]2CC[N@@H+]1C[C@@H]2CN1CCN(c2ncccn2)CC1	ZINC000067870884	291312638	/nfs/dbraw/zinc/31/26/38/291312638.db2.gz	DJXFIGZRSCBWTO-GBESFXJTSA-N	1	0	433.626	0.420	40	0	biogenic,in-vitro	ICABRO
CC[N@@H+]1C[C@]2(COC)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H]([C@H](OC)[C@@H]32)[C@@H]14	ZINC000070691758	291311357	/nfs/dbraw/zinc/31/13/57/291311357.db2.gz	XRARAKHBJHWUHW-SMCICNQZSA-N	1	0	437.577	0.502	40	0	biogenic,in-vitro	ICABRO
CC(C)N1CCN(S(=O)(=O)c2cncc(Br)c2N2CC[NH2+]CC2)CC1	ZINC000072210929	557341084	/nfs/dbraw/zinc/34/10/84/557341084.db2.gz	OCRWHBHJMRDYOK-UHFFFAOYSA-N	1	0	432.388	0.968	40	0		ICABRO
CC1CC[NH+](CCNC(=O)CN2CC[C@]3(CCC2=O)NC(=O)c2cccnc2N3)CC1	ZINC000072326238	556902979	/nfs/dbraw/zinc/90/29/79/556902979.db2.gz	CZCBWZIEQIYXIH-QFIPXVFZSA-N	1	0	428.537	0.794	40	0		ICABRO
CC1CC[NH+](CCNC(=O)CN2CC[C@@]3(CCC2=O)NC(=O)c2cccnc2N3)CC1	ZINC000072326240	556902900	/nfs/dbraw/zinc/90/29/00/556902900.db2.gz	CZCBWZIEQIYXIH-JOCHJYFZSA-N	1	0	428.537	0.794	40	0		ICABRO
CC[NH+]1CCN(CCC(=O)N2CCC([C@@H]3Nc4ccccc4S(=O)(=O)N3)CC2)CC1	ZINC000072338832	556911385	/nfs/dbraw/zinc/91/13/85/556911385.db2.gz	KNGUBNQWLXUXSD-OAQYLSRUSA-N	1	0	435.594	0.983	40	0		ICABRO
CC[NH+]1CCN(CCC(=O)N2CCC([C@H]3Nc4ccccc4S(=O)(=O)N3)CC2)CC1	ZINC000072338833	556911270	/nfs/dbraw/zinc/91/12/70/556911270.db2.gz	KNGUBNQWLXUXSD-NRFANRHFSA-N	1	0	435.594	0.983	40	0		ICABRO
Cc1ccc(=O)n(CC2(O)C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cnc(N3CCOCC3)nc2)n1	ZINC000072394808	556966146	/nfs/dbraw/zinc/96/61/46/556966146.db2.gz	XQFSXSABCFKOHI-QIDMFYOTSA-N	1	0	426.521	0.736	40	0		ICABRO
C[C@]12CN(C(=O)CNC(=O)[C@H]([NH3+])Cc3ccccc3)C[C@H]1NC(=O)c1ccccc1C2=O	ZINC000072395037	556966456	/nfs/dbraw/zinc/96/64/56/556966456.db2.gz	NKIRSFIYSLCVCG-IECBHUPTSA-N	1	0	434.496	0.516	40	0		ICABRO
C[C@]12CN(C(=O)CNC(=O)[C@@H]([NH3+])Cc3ccccc3)C[C@H]1NC(=O)c1ccccc1C2=O	ZINC000072395038	556966384	/nfs/dbraw/zinc/96/63/84/556966384.db2.gz	NKIRSFIYSLCVCG-GLDPYIMESA-N	1	0	434.496	0.516	40	0		ICABRO
CN(C)S(=O)(=O)N1CCc2nc(C3CC[NH+](Cc4cccnc4)CC3)[nH]c(=O)c2C1	ZINC000072399029	556971480	/nfs/dbraw/zinc/97/14/80/556971480.db2.gz	BBYPQHNNJDBEKS-UHFFFAOYSA-N	1	0	432.550	0.709	40	0		ICABRO
CN(C)S(=O)(=O)N1CCc2nc(C3CC[NH+](Cc4ccncc4)CC3)[nH]c(=O)c2C1	ZINC000072399030	556971416	/nfs/dbraw/zinc/97/14/16/556971416.db2.gz	OPUBRHSEPJXJFC-UHFFFAOYSA-N	1	0	432.550	0.709	40	0		ICABRO
CN(C)S(=O)(=O)N1CCc2nc(C3CC[NH+](Cc4ccccn4)CC3)[nH]c(=O)c2C1	ZINC000072399031	556971471	/nfs/dbraw/zinc/97/14/71/556971471.db2.gz	BPVUXLRUGJGTII-UHFFFAOYSA-N	1	0	432.550	0.709	40	0		ICABRO
CN(C)S(=O)(=O)N1CCc2nc(C3CC[NH+](CC4=CCCOC4)CC3)[nH]c(=O)c2C1	ZINC000072399035	556971411	/nfs/dbraw/zinc/97/14/11/556971411.db2.gz	CGPOPKRZGIPOCJ-UHFFFAOYSA-N	1	0	437.566	0.461	40	0		ICABRO
CC(=O)N1CCC([NH2+]C[C@H]2O[C@H](Cc3cc(CN4CCOCC4)on3)CC[C@@H]2O)CC1	ZINC000077263476	291310569	/nfs/dbraw/zinc/31/05/69/291310569.db2.gz	CCZGHFRBBDSFCM-ILWGZMRPSA-N	1	0	436.553	0.558	40	0	biogenic,in-vitro	ICABRO
COc1ccc(C(=O)NC[C@H]2O[C@H](Cc3cc(CN4CC[NH2+]CC4)on3)CC[C@@H]2O)cc1	ZINC000077263530	291314158	/nfs/dbraw/zinc/31/41/58/291314158.db2.gz	DPWDWNJLTUXVHM-ILWGZMRPSA-N	1	0	444.532	0.969	40	0	biogenic,in-vitro	ICABRO
O=C(COc1ccccc1)NC[C@H]1O[C@H](Cc2cc(CN3CC[NH2+]CC3)on2)CC[C@@H]1O	ZINC000077263554	291316277	/nfs/dbraw/zinc/31/62/77/291316277.db2.gz	FQXNENRWCKUATN-ILWGZMRPSA-N	1	0	444.532	0.726	40	0	biogenic,in-vitro	ICABRO
CS(=O)(=O)c1ccc(C[NH2+][C@@H]2CO[C@H](CNS(=O)(=O)c3ccccc3)[C@H]2O)cc1	ZINC000077264654	291314821	/nfs/dbraw/zinc/31/48/21/291314821.db2.gz	SVVMFTXVUYUDQL-QRVBRYPASA-N	1	0	440.543	0.287	40	0	biogenic,in-vitro	ICABRO
[NH3+]CCCOCCOCCOCCCNC(=O)CCCC[C@H]1SC[C@H]2NC(=O)N[C@@H]12	ZINC000079016669	557010634	/nfs/dbraw/zinc/01/06/34/557010634.db2.gz	XNGTVIOREZIKAE-ZHALLVOQSA-N	1	0	446.614	0.617	40	0	in-vitro	ICABRO
Cn1cc(C[N@@H+]2CCC[C@]3(C(=O)N4CCOCC4)CN(c4ncccn4)C[C@@H]3C2)cn1	ZINC000096056165	557167452	/nfs/dbraw/zinc/16/74/52/557167452.db2.gz	UNIIQMFYQZVRFY-UGKGYDQZSA-N	1	0	425.537	0.788	40	0		ICABRO
Cn1cc(CN2CCC[C@]3(C(=O)N4CCOCC4)C[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)cn1	ZINC000096056189	557167311	/nfs/dbraw/zinc/16/73/11/557167311.db2.gz	TTXCDUDVARTYIM-GMAHTHKFSA-N	1	0	441.580	0.727	40	0		ICABRO
COC(=O)CN1CC2(CCN(C(=O)C[NH+](C)C)CC2)COc2ccccc2S1(=O)=O	ZINC000096145233	557174391	/nfs/dbraw/zinc/17/43/91/557174391.db2.gz	CORUWBIRPULQFJ-UHFFFAOYSA-N	1	0	439.534	0.413	40	0		ICABRO
CN(C)C(=O)CN1[C@H]2CCN(C(=O)C[NH+](C)C)CC[C@@H]2Oc2ccccc2S1(=O)=O	ZINC000096145848	557175802	/nfs/dbraw/zinc/17/58/02/557175802.db2.gz	MXIPLLJAIPQTCO-HOTGVXAUSA-N	1	0	438.550	0.079	40	0		ICABRO
CN1CCN(c2ncccn2)C[C@@H]1c1nnc2ccc(C(=O)NCC[NH+]3CCCC3)cn21	ZINC000096156676	557181795	/nfs/dbraw/zinc/18/17/95/557181795.db2.gz	PJEUHSVIWYRVAG-GOSISDBHSA-N	1	0	435.536	0.838	40	0		ICABRO
COc1ncccc1C[NH+]1CCC2(CC1)O[C@H](C(=O)N1CCN(C)CC1)Cn1ccnc12	ZINC000096243747	557187525	/nfs/dbraw/zinc/18/75/25/557187525.db2.gz	BBGHKJHPBSYGIX-IBGZPJMESA-N	1	0	440.548	0.951	40	0		ICABRO
COc1ncccc1C[NH+]1CCC2(CC1)O[C@@H](C(=O)N1CCN(C)CC1)Cn1ccnc12	ZINC000096243748	557187561	/nfs/dbraw/zinc/18/75/61/557187561.db2.gz	BBGHKJHPBSYGIX-LJQANCHMSA-N	1	0	440.548	0.951	40	0		ICABRO
CC(C)NC(=O)N1CCC[C@]2(C(=O)N3CCOCC3)C[N@H+](Cc3cnn(C)c3)C[C@@H]2C1	ZINC000096251505	557189048	/nfs/dbraw/zinc/18/90/48/557189048.db2.gz	CNZVMWKXPARQTP-KNQAVFIVSA-N	1	0	432.569	0.911	40	0		ICABRO
CN(C)C(=O)N1CCN(C)[C@@H](c2nnc3ccc(C(=O)NCC[NH+]4CCCC4)cn32)C1	ZINC000096268051	557193430	/nfs/dbraw/zinc/19/34/30/557193430.db2.gz	IVNVZOVBKHLYGA-QGZVFWFLSA-N	1	0	428.541	0.525	40	0		ICABRO
CN(C)C(=O)N1CCN(C)[C@H](c2nnc3ccc(C(=O)NCC[NH+]4CCCC4)cn32)C1	ZINC000096268052	557193651	/nfs/dbraw/zinc/19/36/51/557193651.db2.gz	IVNVZOVBKHLYGA-KRWDZBQOSA-N	1	0	428.541	0.525	40	0		ICABRO
O=C(Cc1ccccc1)NC[C@H]1O[C@H](Cc2cc(CN3CC[NH2+]CC3)on2)CC[C@@H]1O	ZINC000096296055	291316621	/nfs/dbraw/zinc/31/66/21/291316621.db2.gz	GMINONGQGIZETJ-ILWGZMRPSA-N	1	0	428.533	0.890	40	0	biogenic,in-vitro	ICABRO
CC[NH+]1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CCSc2nccc(C)n2)CC1	ZINC000096306439	557195825	/nfs/dbraw/zinc/19/58/25/557195825.db2.gz	YFLQQZNUTLMFNH-UHFFFAOYSA-N	1	0	430.538	0.456	40	0		ICABRO
COc1ccc(CNC(=O)CC[C@H]2CNC(=O)[C@@H]3[C@@H](CCN3Cc3ncc[nH]3)[N@@H+]2C)cc1	ZINC000096536582	291314208	/nfs/dbraw/zinc/31/42/08/291314208.db2.gz	KXZMWVSWCNPQAZ-KPLVRAHFSA-N	1	0	440.548	0.888	40	0	biogenic,in-vitro	ICABRO
CCN1C(=O)C[C@H]([NH+]2CCC(C3CCN(S(=O)(=O)N4CCCC4)CC3)CC2)C1=O	ZINC000100237997	557254240	/nfs/dbraw/zinc/25/42/40/557254240.db2.gz	GNESNGOWWPNSGP-SFHVURJKSA-N	1	0	426.583	0.898	40	0		ICABRO
C[C@H](NC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1)C(=O)NCC[NH+](C)C	ZINC000101489368	568844493	/nfs/dbraw/zinc/84/44/93/568844493.db2.gz	MYDATDZTIWBKGD-OKZBNKHCSA-N	1	0	438.594	0.954	40	0		ICABRO
NC(=O)CC[C@@H]1[NH2+][C@@]2(C(=O)Nc3c2cccc3Cl)[C@H]2C(=O)N(C[C@@H]3CCCO3)C(=O)[C@H]12	ZINC000103516405	557138422	/nfs/dbraw/zinc/13/84/22/557138422.db2.gz	QLVGCLALYCJYMZ-JEFATFFCSA-N	1	0	446.891	0.505	40	0		ICABRO
NC(=O)CC[C@@H]1[NH2+][C@@]2(C(=O)Nc3c2cccc3Cl)[C@@H]2C(=O)N(C[C@@H]3CCCO3)C(=O)[C@@H]21	ZINC000103516407	557315943	/nfs/dbraw/zinc/31/59/43/557315943.db2.gz	QLVGCLALYCJYMZ-BVSASEHYSA-N	1	0	446.891	0.505	40	0		ICABRO
NC(=O)CC[C@@H]1[NH2+][C@@]2(C(=O)Nc3ccc(Cl)cc32)[C@H]2C(=O)N(C[C@@H]3CCCO3)C(=O)[C@H]12	ZINC000103516425	557138340	/nfs/dbraw/zinc/13/83/40/557138340.db2.gz	IHORFNLQKOWMTR-IKLLKDHHSA-N	1	0	446.891	0.505	40	0		ICABRO
NC(=O)CC[C@@H]1[NH2+][C@@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(C[C@@H]3CCCO3)C(=O)[C@@H]21	ZINC000103516427	557315987	/nfs/dbraw/zinc/31/59/87/557315987.db2.gz	IHORFNLQKOWMTR-LTFAXJHGSA-N	1	0	446.891	0.505	40	0		ICABRO
COCCN1Cc2c(C(=O)N3CC[C@@H]([NH+](C)C)C3)ncn2-c2ccccc2S1(=O)=O	ZINC000104800004	557328576	/nfs/dbraw/zinc/32/85/76/557328576.db2.gz	ALDXDRBOLJFORQ-OAHLLOKOSA-N	1	0	433.534	0.799	40	0		ICABRO
COCCN1Cc2c(C(=O)N3CC[C@H]([NH+](C)C)C3)ncn2-c2ccccc2S1(=O)=O	ZINC000104800009	557328481	/nfs/dbraw/zinc/32/84/81/557328481.db2.gz	ALDXDRBOLJFORQ-HNNXBMFYSA-N	1	0	433.534	0.799	40	0		ICABRO
O=S1(=O)NC[C@H](O)C[NH2+]C[C@@]2(C[C@@H](O)[C@@H](O)C2)COc2cc(-c3ccccc3)ccc21	ZINC000108318172	557542529	/nfs/dbraw/zinc/54/25/29/557542529.db2.gz	HMMLBELZCYXXQV-IWQHBPENSA-N	1	0	448.541	0.477	40	0		ICABRO
O=S1(=O)NC[C@H](O)C[NH2+]C[C@]2(C[C@@H](O)[C@@H](O)C2)COc2cc(-c3ccccc3)ccc21	ZINC000108318238	557542494	/nfs/dbraw/zinc/54/24/94/557542494.db2.gz	HMMLBELZCYXXQV-NXWNEQKCSA-N	1	0	448.541	0.477	40	0		ICABRO
COc1ccc(S(=O)(=O)N2CCN(c3cc(N4CCOCC4)cn[nH+]3)CC2)cc1OC	ZINC000224324616	568918425	/nfs/dbraw/zinc/91/84/25/568918425.db2.gz	CYSRWIPYTBUQPN-UHFFFAOYSA-N	1	0	449.533	0.841	40	0		ICABRO
CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3cc(N4CCOCC4)cn[nH+]3)CC2)cc1	ZINC000224325097	568918485	/nfs/dbraw/zinc/91/84/85/568918485.db2.gz	DEGPZWCZZTXRRO-UHFFFAOYSA-N	1	0	446.533	0.783	40	0		ICABRO
COc1ccc(OC)c(S(=O)(=O)N2CCN(c3cc(N4CCOCC4)cn[nH+]3)CC2)c1	ZINC000224325895	568918500	/nfs/dbraw/zinc/91/85/00/568918500.db2.gz	NWQNLWBIBWCASH-UHFFFAOYSA-N	1	0	449.533	0.841	40	0		ICABRO
O=S(=O)(c1ccc2c(c1)OCCO2)N1CCN(c2cc(N3CCOCC3)cn[nH+]2)CC1	ZINC000224326306	568918494	/nfs/dbraw/zinc/91/84/94/568918494.db2.gz	NPQWBNHRFPHKQY-UHFFFAOYSA-N	1	0	447.517	0.595	40	0		ICABRO
Cc1nc(C(=O)N2CCN(c3cc(N4CCOCC4)cn[nH+]3)CC2)cc(-n2cccn2)n1	ZINC000224327285	568918387	/nfs/dbraw/zinc/91/83/87/568918387.db2.gz	RGYOLBOBXUXILS-UHFFFAOYSA-N	1	0	435.492	0.560	40	0		ICABRO
CN(CC(=O)N1CCN(c2cc(N3CCOCC3)cn[nH+]2)CC1)C(=O)c1ccccc1F	ZINC000224327414	568918431	/nfs/dbraw/zinc/91/84/31/568918431.db2.gz	OOVMVZXAOWPZMZ-UHFFFAOYSA-N	1	0	442.495	0.873	40	0		ICABRO
CCCCS(=O)(=O)N(C)CC(=O)N1CCN(c2cc(N3CCOCC3)cn[nH+]2)CC1	ZINC000224327471	568918379	/nfs/dbraw/zinc/91/83/79/568918379.db2.gz	ACYSODPDKNIQFZ-UHFFFAOYSA-N	1	0	440.570	0.024	40	0		ICABRO
COc1ccc(S(=O)(=O)N2CCN(c3cn[nH+]c(N4CCOCC4)c3)CC2)cc1OC	ZINC000224332789	568921036	/nfs/dbraw/zinc/92/10/36/568921036.db2.gz	REPOOWJOCCRJEL-UHFFFAOYSA-N	1	0	449.533	0.841	40	0		ICABRO
CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3cn[nH+]c(N4CCOCC4)c3)CC2)cc1	ZINC000224333123	568920972	/nfs/dbraw/zinc/92/09/72/568920972.db2.gz	SFBIEFVAPTWTRJ-UHFFFAOYSA-N	1	0	446.533	0.783	40	0		ICABRO
COc1ccc(OC)c(S(=O)(=O)N2CCN(c3cn[nH+]c(N4CCOCC4)c3)CC2)c1	ZINC000224333674	568921069	/nfs/dbraw/zinc/92/10/69/568921069.db2.gz	QKGOORIQWZIAJU-UHFFFAOYSA-N	1	0	449.533	0.841	40	0		ICABRO
CCCCS(=O)(=O)N(C)CC(=O)N1CCN(c2cn[nH+]c(N3CCOCC3)c2)CC1	ZINC000224334749	568921097	/nfs/dbraw/zinc/92/10/97/568921097.db2.gz	IFNQZATWLVDIHX-UHFFFAOYSA-N	1	0	440.570	0.024	40	0		ICABRO
COc1ccc(CN2C(=O)[C@@H]3C[C@@H](O)CN3C3(CN(C4CC[NH+](C)CC4)C3)C2=O)cc1	ZINC000225388283	291314166	/nfs/dbraw/zinc/31/41/66/291314166.db2.gz	MWNNXNZNLWPOAA-QUCCMNQESA-N	1	0	428.533	0.148	40	0	biogenic,in-vitro	ICABRO
O=C1CCCN1CCCN1C(=O)[C@@H]2C[C@@H](O)CN2C2(C[NH+](CC3CCCCC3)C2)C1=O	ZINC000225393486	291317335	/nfs/dbraw/zinc/31/73/35/291317335.db2.gz	CZULRWOXJMJINY-MOPGFXCFSA-N	1	0	432.565	0.438	40	0	biogenic,in-vitro	ICABRO
COC(=O)c1ccc(CN2C(=O)[C@@H]3C[C@@H](O)CN3C3(C[NH+](C4CCCC4)C3)C2=O)cc1	ZINC000225395750	291312388	/nfs/dbraw/zinc/31/23/88/291312388.db2.gz	FAQHCNDHARHPKD-MOPGFXCFSA-N	1	0	427.501	0.774	40	0	biogenic,in-vitro	ICABRO
COC(=O)c1ccc(CN2C(=O)[C@@H]3C[C@@H](O)CN3C3(C[NH+](CCC(C)C)C3)C2=O)cc1	ZINC000225396116	291312629	/nfs/dbraw/zinc/31/26/29/291312629.db2.gz	ISSJRGBMKSOTIV-MOPGFXCFSA-N	1	0	429.517	0.878	40	0	biogenic,in-vitro	ICABRO
O=C(C[C@@H]1C[C@H]2O[C@H](C[NH2+]Cc3cnccc3C(F)(F)F)[C@@H](O)[C@H]2O1)N1CCOCC1	ZINC000225514173	291316279	/nfs/dbraw/zinc/31/62/79/291316279.db2.gz	IQOOFOJLTMVYEO-ZLJHSHKTSA-N	1	0	445.438	0.725	40	0	biogenic,in-vitro	ICABRO
COCCNC(=O)C[C@@H]1C[C@H]2O[C@H](C[NH2+]Cc3cnccc3C(F)(F)F)[C@@H](O)[C@H]2O1	ZINC000225515485	291312617	/nfs/dbraw/zinc/31/26/17/291312617.db2.gz	RMIGXOGQXYETRC-UUWMRLDISA-N	1	0	433.427	0.629	40	0	biogenic,in-vitro	ICABRO
Cn1cc(CNC(=O)C[C@@H]2C[C@H]3O[C@H](C[NH2+]Cc4cnccc4Cl)[C@@H](O)[C@H]3O2)cn1	ZINC000225516786	291315486	/nfs/dbraw/zinc/31/54/86/291315486.db2.gz	RKPFHSYNQKIFAN-UZKILMIQSA-N	1	0	435.912	0.550	40	0	biogenic,in-vitro	ICABRO
COc1ccccc1C[NH2+]C[C@H]1O[C@@H]2C[C@@H](CC(=O)NCc3cnn(C)c3)O[C@@H]2[C@@H]1O	ZINC000225517151	291314664	/nfs/dbraw/zinc/31/46/64/291314664.db2.gz	VTROAQOZFDPACB-ZNSCVOQBSA-N	1	0	430.505	0.511	40	0	biogenic,in-vitro	ICABRO
Cn1cc(CNC(=O)C[C@@H]2C[C@H]3O[C@H](C[NH2+]C4CCC(F)(F)CC4)[C@@H](O)[C@H]3O2)cn1	ZINC000225517228	291315519	/nfs/dbraw/zinc/31/55/19/291315519.db2.gz	SYJIWXBWHQVBKN-SGFSRKTBSA-N	1	0	428.480	0.880	40	0	biogenic,in-vitro	ICABRO
Cn1cc(CNC(=O)C[C@@H]2C[C@H]3O[C@H](C[NH2+]C4Cc5ccccc5C4)[C@@H](O)[C@H]3O2)cn1	ZINC000225517468	291315515	/nfs/dbraw/zinc/31/55/15/291315515.db2.gz	LJDPDTYKENNFMQ-XCWFNORRSA-N	1	0	426.517	0.469	40	0	biogenic,in-vitro	ICABRO
CC(=O)N1CCC([NH2+]C[C@H]2O[C@@H]3C[C@@H](CC(=O)N4CCC(F)(F)C4)O[C@@H]3[C@@H]2O)CC1	ZINC000225518959	291310584	/nfs/dbraw/zinc/31/05/84/291310584.db2.gz	UJXRJQDMKIHYLF-SGFSRKTBSA-N	1	0	431.480	0.130	40	0	biogenic,in-vitro	ICABRO
Cn1ccnc1CNC(=O)C[C@@H]1C[C@H]2O[C@H](C[NH2+]Cc3cnccc3Cl)[C@@H](O)[C@H]2O1	ZINC000225519769	291315816	/nfs/dbraw/zinc/31/58/16/291315816.db2.gz	BVAPASHHAKGHIK-AVQZXHFCSA-N	1	0	435.912	0.550	40	0	biogenic,in-vitro	ICABRO
COc1ccccc1C[NH2+]C[C@H]1O[C@@H]2C[C@@H](CC(=O)NCc3nccn3C)O[C@@H]2[C@@H]1O	ZINC000225520053	291314666	/nfs/dbraw/zinc/31/46/66/291314666.db2.gz	UXONSGDQELCSJU-QIFAKEJRSA-N	1	0	430.505	0.511	40	0	biogenic,in-vitro	ICABRO
Cn1ccnc1CNC(=O)C[C@@H]1C[C@H]2O[C@H](C[NH2+]C3CCC(F)(F)CC3)[C@@H](O)[C@H]2O1	ZINC000225520278	291315803	/nfs/dbraw/zinc/31/58/03/291315803.db2.gz	NJRLPVWYNTYVGX-HIBCTMLNSA-N	1	0	428.480	0.880	40	0	biogenic,in-vitro	ICABRO
Cn1ccnc1CNC(=O)C[C@@H]1C[C@H]2O[C@H](C[NH2+]C3Cc4ccccc4C3)[C@@H](O)[C@H]2O1	ZINC000225520599	291315823	/nfs/dbraw/zinc/31/58/23/291315823.db2.gz	AMLBVISKHOCEPO-SWBPKETKSA-N	1	0	426.517	0.469	40	0	biogenic,in-vitro	ICABRO
CC(C)CC[N@@H+]1C[C@@H](O)CNS(=O)(=O)c2ccccc2OC[C@@]2(C[C@@H](O)[C@@H](O)C2)C1	ZINC000253403210	569265117	/nfs/dbraw/zinc/26/51/17/569265117.db2.gz	PNXMDLKYELBSFP-UGNRZPKXSA-N	1	0	442.578	0.568	40	0		ICABRO
Nc1ncnc2c1ncn2[C@H]1CN(C(=O)c2ccc(OCC[NH+]3CCCC3)cc2)C[C@@H]1O	ZINC000257201312	568665810	/nfs/dbraw/zinc/66/58/10/568665810.db2.gz	AHCYYMITLVZUEA-ROUUACIJSA-N	1	0	437.504	0.941	40	0		ICABRO
CS(=O)(=O)NCC(=O)NC[C@]1(c2ccccc2)CC[C@H](O)[C@@H]([NH+]2CCOCC2)CC1	ZINC000257201651	556701012	/nfs/dbraw/zinc/70/10/12/556701012.db2.gz	AILDQCQRWNBSKB-IRFCIJBXSA-N	1	0	439.578	0.226	40	0		ICABRO
O=C(COc1ccc(C[NH2+]C[C@]2(O)CCCN(c3ncccn3)C2)cc1)N1CCOCC1	ZINC000257203179	556701261	/nfs/dbraw/zinc/70/12/61/556701261.db2.gz	AOYRFZCHOBVFSK-HSZRJFAPSA-N	1	0	441.532	0.835	40	0		ICABRO
O=C(COc1ccc(C[NH2+]C[C@@]2(O)CCCN(c3ncccn3)C2)cc1)N1CCOCC1	ZINC000257203180	556701317	/nfs/dbraw/zinc/70/13/17/556701317.db2.gz	AOYRFZCHOBVFSK-QHCPKHFHSA-N	1	0	441.532	0.835	40	0		ICABRO
C[NH+]1CCN(c2ccc(C(=O)N3CC[C@H](O)[C@@H](n4ccc(=O)[nH]c4=O)CC3)cc2)CC1	ZINC000257203828	568666941	/nfs/dbraw/zinc/66/69/41/568666941.db2.gz	ARVFCSJYXOFMBF-OALUTQOASA-N	1	0	427.505	0.539	40	0		ICABRO
Cc1cn([C@H]2CN(C(=O)c3ccc(OCC[NH+]4CCCC4)cc3)C[C@@H]2O)c(=O)[nH]c1=O	ZINC000257204798	568667381	/nfs/dbraw/zinc/66/73/81/568667381.db2.gz	AWHVSHBYGLFVER-OALUTQOASA-N	1	0	428.489	0.790	40	0		ICABRO
CC(C)(C)OC(=O)N[C@@H]1C[C@@H](O)C[N@H+](Cc2ccc(OCCOCCO)cc2)C[C@H]1O	ZINC000257205367	556701632	/nfs/dbraw/zinc/70/16/32/556701632.db2.gz	AYSAAJPGFLMDEE-MISYRCLQSA-N	1	0	440.537	0.895	40	0		ICABRO
CC(C)[C@@H]([NH3+])C(=O)N(Cc1ccccc1)C[C@@H]1C[C@@H](n2ccc(=O)[nH]c2=O)[C@@H](O)[C@@H]1O	ZINC000257212419	568671142	/nfs/dbraw/zinc/67/11/42/568671142.db2.gz	CDIAQVPCXBOLGT-APQLOABGSA-N	1	0	430.505	0.244	40	0		ICABRO
CC(C)[C@@H]([NH3+])C(=O)N(Cc1ccccc1)C[C@H]1C[C@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@H]1O	ZINC000257212420	568671150	/nfs/dbraw/zinc/67/11/50/568671150.db2.gz	CDIAQVPCXBOLGT-PPLKHSGQSA-N	1	0	430.505	0.244	40	0		ICABRO
CC(=O)N[C@H]1C[C@@H](C(=O)N(C)C)N(C(=O)CN2CC[NH+](C(C)C)CC2)[C@H]1c1ccccc1	ZINC000257212865	568671061	/nfs/dbraw/zinc/67/10/61/568671061.db2.gz	CFGNRDJSWUNSBM-FUDKSRODSA-N	1	0	443.592	0.948	40	0		ICABRO
CO[C@@H]1CN(CC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)C[C@]12CCCO2	ZINC000257215583	568672325	/nfs/dbraw/zinc/67/23/25/568672325.db2.gz	CQSSMWKYTNNJTQ-UYAOXDASSA-N	1	0	439.534	0.526	40	0		ICABRO
C[C@]1(O)COC2(CCN(C(=O)c3ccc(OCC[NH3+])cc3)CC2)C[C@@H]1NS(C)(=O)=O	ZINC000257218937	568673723	/nfs/dbraw/zinc/67/37/23/568673723.db2.gz	DEXONSDGZSYEGA-HKUYNNGSSA-N	1	0	441.550	0.088	40	0		ICABRO
C[NH2+]CCOc1cccc(C(=O)N(C)[C@@H]2CC[C@H](n3cnc4c3ncnc4N)[C@H]2O)c1	ZINC000257220529	568674742	/nfs/dbraw/zinc/67/47/42/568674742.db2.gz	DLCZOSAESVWEJA-RYRKJORJSA-N	1	0	425.493	0.843	40	0		ICABRO
C[N@H+](Cc1ccc(OCC(=O)N2CCOCC2)cc1)C[C@]1(O)CCN(c2ncccn2)C1	ZINC000257226046	556708555	/nfs/dbraw/zinc/70/85/55/556708555.db2.gz	FIXHAJYXKBVYIR-HSZRJFAPSA-N	1	0	441.532	0.787	40	0		ICABRO
C[N@H+](Cc1ccc(OCC(=O)N2CCOCC2)cc1)C[C@@]1(O)CCN(c2ncccn2)C1	ZINC000257226047	556708632	/nfs/dbraw/zinc/70/86/32/556708632.db2.gz	FIXHAJYXKBVYIR-QHCPKHFHSA-N	1	0	441.532	0.787	40	0		ICABRO
CNc1ncnc2c1ncn2[C@@H]1CC[C@@H](NC(=O)c2cccc(OCC[NH3+])c2)[C@@H](O)[C@@H]1O	ZINC000257226466	568677210	/nfs/dbraw/zinc/67/72/10/568677210.db2.gz	FKSMHFHXDWSNBB-JOCBIADPSA-N	1	0	441.492	0.061	40	0		ICABRO
Nc1nc2c(c(N)n1)C[C@@]1(CCCN(C(=O)CCCNC(=O)c3cncc(O)c3)CC1)O2	ZINC000257227396	568677608	/nfs/dbraw/zinc/67/76/08/568677608.db2.gz	FPBYYKZHMPQYDT-NRFANRHFSA-N	1	0	441.492	0.638	40	0		ICABRO
Nc1nc2c(c(N)n1)C[C@]1(CCCN(C(=O)CCCNC(=O)c3cncc(O)c3)CC1)O2	ZINC000257227397	568677667	/nfs/dbraw/zinc/67/76/67/568677667.db2.gz	FPBYYKZHMPQYDT-OAQYLSRUSA-N	1	0	441.492	0.638	40	0		ICABRO
CC(=O)N1CCN([C@H]2C[N@H+](Cc3ccc(OCCCN4CCCC4=O)cc3)C[C@@H]2O)CC1	ZINC000257227429	556708597	/nfs/dbraw/zinc/70/85/97/556708597.db2.gz	FPFUNTWAIYZPGZ-GOTSBHOMSA-N	1	0	444.576	0.787	40	0		ICABRO
CC(=O)N1CCN(C[C@]2(O)CC[N@H+](CC3(O)CCN(c4cccc(F)c4)CC3)C2)CC1	ZINC000257231100	568679453	/nfs/dbraw/zinc/67/94/53/568679453.db2.gz	GFFZUKOEOUWREF-HSZRJFAPSA-N	1	0	434.556	0.758	40	0		ICABRO
CC(=O)N1CCN(C[C@@]2(O)CC[N@H+](CC3(O)CCN(c4cccc(F)c4)CC3)C2)CC1	ZINC000257231101	568679342	/nfs/dbraw/zinc/67/93/42/568679342.db2.gz	GFFZUKOEOUWREF-QHCPKHFHSA-N	1	0	434.556	0.758	40	0		ICABRO
CN(C(=O)c1ccc(OCCC[NH3+])cc1)[C@@H]1CC[C@H](n2cnc3c2ncnc3N)[C@H]1O	ZINC000257236173	568681996	/nfs/dbraw/zinc/68/19/96/568681996.db2.gz	HBBMCDJTKPGRPU-RYRKJORJSA-N	1	0	425.493	0.973	40	0		ICABRO
C[C@@]1(O)CCN(C(=O)c2ccc(OCCC[NH3+])cc2)C[C@H]1n1cnc2c1ncnc2N	ZINC000257239824	568683653	/nfs/dbraw/zinc/68/36/53/568683653.db2.gz	HQYARXNWJMFGMU-IIBYNOLFSA-N	1	0	425.493	0.974	40	0		ICABRO
CN(C(=O)c1cccc(OCCC[NH3+])c1)[C@@H]1CC[C@H](n2cnc3c2ncnc3N)[C@H]1O	ZINC000257240898	568684160	/nfs/dbraw/zinc/68/41/60/568684160.db2.gz	HVQOBFRTYSSCFO-RYRKJORJSA-N	1	0	425.493	0.973	40	0		ICABRO
Nc1nc2c(ncn2[C@@H]2CCC[C@@H](NC(=O)c3cccc(OCC[NH3+])c3)[C@H]2O)c(N)n1	ZINC000257240986	568684193	/nfs/dbraw/zinc/68/41/93/568684193.db2.gz	HWCGRLLEMQYDMQ-IIAWOOMASA-N	1	0	426.481	0.213	40	0		ICABRO
C[C@]1(O)CC2(CCN(C(=O)CC[NH3+])CC2)OC[C@@H]1n1cc(Br)c(=O)[nH]c1=O	ZINC000257242173	568684667	/nfs/dbraw/zinc/68/46/67/568684667.db2.gz	IBKHDJQUFCEPDC-LRDDRELGSA-N	1	0	445.314	0.134	40	0		ICABRO
CNc1ncnc2c1ncn2[C@@H]1CC[C@@H](NC(=O)c2ccc(OCC[NH3+])cc2)[C@@H](O)[C@@H]1O	ZINC000257242674	568684956	/nfs/dbraw/zinc/68/49/56/568684956.db2.gz	IDPUQTBDEBVZKR-JOCBIADPSA-N	1	0	441.492	0.061	40	0		ICABRO
CNc1ncnc2c1ncn2[C@H]1C[C@@H](NC(=O)c2cccc(OCCC[NH3+])c2)[C@@H](O)[C@H]1O	ZINC000257243786	568685551	/nfs/dbraw/zinc/68/55/51/568685551.db2.gz	IINXENMVBACNCN-ATLSCFEFSA-N	1	0	441.492	0.061	40	0		ICABRO
Cc1cn(C[C@]2(O)CC[C@H](N(C)C(=O)c3cccc(OCC[NH3+])c3)C[C@H]2O)c(=O)[nH]c1=O	ZINC000257249283	568688099	/nfs/dbraw/zinc/68/80/99/568688099.db2.gz	JHNXWEMLMGXJEH-AQOAWAETSA-N	1	0	446.504	0.012	40	0		ICABRO
C[C@]1(O)CC2(CCN(C(=O)c3ccc(C[NH3+])cc3)CC2)OC[C@@H]1n1cc(F)c(=O)[nH]c1=O	ZINC000257251124	568689178	/nfs/dbraw/zinc/68/91/78/568689178.db2.gz	JPMCODPMGOAPOC-UWJYYQICSA-N	1	0	446.479	0.934	40	0		ICABRO
C[C@]1(O)CC2(CCN(C(=O)c3ccc(C[NH3+])cc3)CC2)OC[C@@H]1n1ccc(N)nc1=O	ZINC000257256084	568691352	/nfs/dbraw/zinc/69/13/52/568691352.db2.gz	KKAPDEXTTJNSFP-UWJYYQICSA-N	1	0	427.505	0.672	40	0		ICABRO
C[N@H+](Cc1cc(C(C)(C)C)ccc1OCC(N)=O)[C@@H]1CCC[C@@H](N2CCNC(=O)C2)[C@@H]1O	ZINC000257256305	568691397	/nfs/dbraw/zinc/69/13/97/568691397.db2.gz	KKWWTZCUQKQOOI-DNVFCKCGSA-N	1	0	446.592	0.994	40	0		ICABRO
CN(C(=O)c1ccc(C[NH3+])cc1)[C@H]1CC[C@@](O)(Cn2cnc3c2ncnc3N)[C@H](O)C1	ZINC000257256365	568691581	/nfs/dbraw/zinc/69/15/81/568691581.db2.gz	KLCMKXKBPNFQRP-GCKMJXCFSA-N	1	0	425.493	0.284	40	0		ICABRO
Cc1cn([C@H]2CCN(C(=O)c3ccc(N4CC[NH+](C)CC4)cc3)CC[C@@H]2O)c(=O)[nH]c1=O	ZINC000257258542	568692438	/nfs/dbraw/zinc/69/24/38/568692438.db2.gz	KULAFKQDUSVYDE-PMACEKPBSA-N	1	0	441.532	0.847	40	0		ICABRO
O=C(Cn1c2ccccc2nc1C(F)(F)F)N1CC[C@@H](O)[C@@H](O)[C@H](N2CCOCC2)C1	ZINC000257263790	568694954	/nfs/dbraw/zinc/69/49/54/568694954.db2.gz	LRMMFMGGRUYTRA-NUJGCVRESA-N	1	0	442.438	0.710	40	0		ICABRO
CNC(=O)[C@]1(c2ccccn2)CCCN(C(=O)C2(C)CCN(C(=O)C[NH+](C)C)CC2)C1	ZINC000257265527	568695527	/nfs/dbraw/zinc/69/55/27/568695527.db2.gz	LZAQNHLNQHWXPW-HSZRJFAPSA-N	1	0	429.565	0.878	40	0		ICABRO
CNC(=O)[C@@]1(c2ccccn2)CCCN(C(=O)C2(C)CCN(C(=O)C[NH+](C)C)CC2)C1	ZINC000257265528	568695587	/nfs/dbraw/zinc/69/55/87/568695587.db2.gz	LZAQNHLNQHWXPW-QHCPKHFHSA-N	1	0	429.565	0.878	40	0		ICABRO
CN(C)c1cc(N2CC[C@@](O)(C[NH2+]Cc3ccc(OCCOCCO)cc3)C2)ncn1	ZINC000257265955	556712929	/nfs/dbraw/zinc/71/29/29/556712929.db2.gz	MAZWCYRCXJDMLO-JOCHJYFZSA-N	1	0	431.537	0.661	40	0		ICABRO
CN(C)c1cc(N2CC[C@](O)(C[NH2+]Cc3ccc(OCCOCCO)cc3)C2)ncn1	ZINC000257265956	556712981	/nfs/dbraw/zinc/71/29/81/556712981.db2.gz	MAZWCYRCXJDMLO-QFIPXVFZSA-N	1	0	431.537	0.661	40	0		ICABRO
CC(=O)NCCCC[C@H]([NH3+])C(=O)NCC1(O)CCN(c2ccnc3ccncc32)CC1	ZINC000257266814	568696226	/nfs/dbraw/zinc/69/62/26/568696226.db2.gz	MEQDTODYYXZTCR-SFHVURJKSA-N	1	0	428.537	0.711	40	0		ICABRO
C[C@]1(O)COC2(CCN(C(=O)c3cccc(OCC[NH3+])c3)CC2)C[C@@H]1NS(C)(=O)=O	ZINC000257273883	568699418	/nfs/dbraw/zinc/69/94/18/568699418.db2.gz	NIPCGZIPZJVVOF-HKUYNNGSSA-N	1	0	441.550	0.088	40	0		ICABRO
CN(C(=O)c1ccc(OCC[NH+]2CCCC2)cc1)[C@@H]1CCC[C@@H](N2CCNC(=O)C2)[C@@H]1O	ZINC000257275710	568700202	/nfs/dbraw/zinc/70/02/02/568700202.db2.gz	NQOPGYMSUBHELC-MQSCRBSSSA-N	1	0	444.576	0.947	40	0		ICABRO
C[NH+]1CCC(Cc2cccc(F)c2)(C(=O)N2C[C@H](O)[C@@H](n3cc(F)c(=O)[nH]c3=O)C2)CC1	ZINC000257276647	568700592	/nfs/dbraw/zinc/70/05/92/568700592.db2.gz	NUOVVZZUFNDJCW-ROUUACIJSA-N	1	0	448.470	0.926	40	0		ICABRO
CC(=O)NC1CC[NH+](C[C@]2(O)CCN(Cc3ccc(OCCOCCO)cc3)C2)CC1	ZINC000257279523	556714517	/nfs/dbraw/zinc/71/45/17/556714517.db2.gz	OGZYBLZXBUKADZ-HSZRJFAPSA-N	1	0	435.565	0.612	40	0		ICABRO
CC(=O)NC1CC[NH+](C[C@@]2(O)CCN(Cc3ccc(OCCOCCO)cc3)C2)CC1	ZINC000257279524	556714910	/nfs/dbraw/zinc/71/49/10/556714910.db2.gz	OGZYBLZXBUKADZ-QHCPKHFHSA-N	1	0	435.565	0.612	40	0		ICABRO
CN1CCC[N@H+](C[C@@]2(O)CCCN(CC(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)CC2)CC1	ZINC000257281912	568702946	/nfs/dbraw/zinc/70/29/46/568702946.db2.gz	ORLFBJNXJPUSNA-JOCHJYFZSA-N	1	0	430.553	0.649	40	0		ICABRO
CN1CCC[N@H+](C[C@]2(O)CCCN(CC(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)CC2)CC1	ZINC000257281913	568703116	/nfs/dbraw/zinc/70/31/16/568703116.db2.gz	ORLFBJNXJPUSNA-QFIPXVFZSA-N	1	0	430.553	0.649	40	0		ICABRO
C[NH+]1CCN(c2ccc(C(=O)N3C[C@H](O)[C@@H](n4c(=O)[nH]c(=O)c5ccccc54)C3)cc2)CC1	ZINC000257282477	568703351	/nfs/dbraw/zinc/70/33/51/568703351.db2.gz	OTXGKIKDVDROCE-SFTDATJTSA-N	1	0	449.511	0.912	40	0		ICABRO
CN1CC[NH+]([C@H]2CC[C@](CNC(=O)CN3CCOCC3)(c3ccccc3)CC[C@@H]2O)CC1	ZINC000257283306	556715263	/nfs/dbraw/zinc/71/52/63/556715263.db2.gz	OXSSXFPSIGVYCF-LSQMVHIFSA-N	1	0	444.620	0.924	40	0		ICABRO
CC(=O)N1CC[C@@H](O)[C@H]2[C@H](c3ccccc3)CN(C(=O)C[NH+]3CCC(C(N)=O)CC3)[C@@H]2C1	ZINC000257283392	568703694	/nfs/dbraw/zinc/70/36/94/568703694.db2.gz	OYCNQDBHUMITFG-GNXKAVGDSA-N	1	0	442.560	0.408	40	0		ICABRO
CN(C(=O)c1ccc(OCCC[NH3+])cc1)[C@H]1CC[C@@](O)(Cn2ccc(=O)[nH]c2=O)[C@H](O)C1	ZINC000257283617	568703908	/nfs/dbraw/zinc/70/39/08/568703908.db2.gz	OZARIKRQBGPQNG-AQOAWAETSA-N	1	0	446.504	0.093	40	0		ICABRO
C[C@]1(O)COC2(CCN(C(=O)c3ccc(CC[NH3+])cc3)CC2)C[C@@H]1NS(C)(=O)=O	ZINC000257284271	568704134	/nfs/dbraw/zinc/70/41/34/568704134.db2.gz	PBZUJRPULLMWIQ-HKUYNNGSSA-N	1	0	425.551	0.252	40	0		ICABRO
O=C(c1ccc(OCC[NH+]2CCCCC2)cc1)N1C[C@H](O)[C@@H](n2ccc(=O)[nH]c2=O)C1	ZINC000257284435	568704258	/nfs/dbraw/zinc/70/42/58/568704258.db2.gz	PCRVEENCUYCAJO-OALUTQOASA-N	1	0	428.489	0.872	40	0		ICABRO
CN(C(=O)c1ccc(OCC[NH3+])cc1)[C@H]1CCC[C@H](n2cnc3c2ncnc3N)[C@H]1O	ZINC000257284992	568704458	/nfs/dbraw/zinc/70/44/58/568704458.db2.gz	PFEJJMWKQOLQBD-BQFCYCMXSA-N	1	0	425.493	0.973	40	0		ICABRO
C[C@]1(O)CC2(CCN(C(=O)c3ccc(C[NH3+])cc3)CC2)OC[C@@H]1n1ccc(=O)[nH]c1=O	ZINC000257285195	568704366	/nfs/dbraw/zinc/70/43/66/568704366.db2.gz	PGBJTBXCKXINIL-UWJYYQICSA-N	1	0	428.489	0.795	40	0		ICABRO
Nc1nc2c(ncn2[C@@H]2CCC[C@@H](NC(=O)c3ccc(OCCC[NH3+])cc3)[C@H]2O)c(N)n1	ZINC000257290564	568707053	/nfs/dbraw/zinc/70/70/53/568707053.db2.gz	QDLCHFUXEJOXSQ-BFYDXBDKSA-N	1	0	440.508	0.603	40	0		ICABRO
CNC(=O)[C@@H]1CN(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)CCN1Cc1ccccc1	ZINC000257291164	568707335	/nfs/dbraw/zinc/70/73/35/568707335.db2.gz	QFYHXZVWDYFJFQ-NRFANRHFSA-N	1	0	436.560	0.906	40	0		ICABRO
CNC(=O)[C@H]1CN(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)CCN1Cc1ccccc1	ZINC000257291165	568707401	/nfs/dbraw/zinc/70/74/01/568707401.db2.gz	QFYHXZVWDYFJFQ-OAQYLSRUSA-N	1	0	436.560	0.906	40	0		ICABRO
Cc1cc(N2CC[C@@](O)(C[NH2+]Cc3ccc(OCC(=O)N4CCOCC4)cc3)C2)ncn1	ZINC000257292193	556716396	/nfs/dbraw/zinc/71/63/96/556716396.db2.gz	QKKYIBWFQZNSBC-HSZRJFAPSA-N	1	0	441.532	0.754	40	0		ICABRO
Cc1cc(N2CC[C@](O)(C[NH2+]Cc3ccc(OCC(=O)N4CCOCC4)cc3)C2)ncn1	ZINC000257292194	556716365	/nfs/dbraw/zinc/71/63/65/556716365.db2.gz	QKKYIBWFQZNSBC-QHCPKHFHSA-N	1	0	441.532	0.754	40	0		ICABRO
O=C(CN1C(=O)CCC1=O)NC[C@]1(c2ccccc2)CC[C@H](O)[C@@H]([NH+]2CCOCC2)CC1	ZINC000257292569	568707920	/nfs/dbraw/zinc/70/79/20/568707920.db2.gz	QMDIREKYCOQJFE-MZLICYQSSA-N	1	0	443.544	0.825	40	0		ICABRO
O=C(CN1C(=O)CCC1=O)NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H]([NH+]2CCOCC2)CC1	ZINC000257292570	556716425	/nfs/dbraw/zinc/71/64/25/556716425.db2.gz	QMDIREKYCOQJFE-YOSAUDMPSA-N	1	0	443.544	0.825	40	0		ICABRO
CN(C(=O)c1cccc(OCC[NH3+])c1)[C@H]1CCC[C@H](n2cnc3c2ncnc3N)[C@H]1O	ZINC000257292895	568708208	/nfs/dbraw/zinc/70/82/08/568708208.db2.gz	QNJWQGJHICQVKL-BQFCYCMXSA-N	1	0	425.493	0.973	40	0		ICABRO
Nc1ncnc2c1ncn2[C@@H]1[C@@H](O)[C@@H](O)C[C@H]1CN(Cc1ccccc1)C(=O)CCC[NH3+]	ZINC000257302785	568712514	/nfs/dbraw/zinc/71/25/14/568712514.db2.gz	SEKDMLRODXHIID-FVCZOJIISA-N	1	0	439.520	0.459	40	0		ICABRO
Nc1nc2c(ncn2[C@@H]2CCC[C@@H](NC(=O)c3ccc(OCC[NH3+])cc3)[C@H]2O)c(N)n1	ZINC000257302905	568712473	/nfs/dbraw/zinc/71/24/73/568712473.db2.gz	SEXBETMDGVRVRH-IIAWOOMASA-N	1	0	426.481	0.213	40	0		ICABRO
CNc1ncnc2c1ncn2[C@H]1C[C@@H](NC(=O)c2ccc(OCCC[NH3+])cc2)[C@@H](O)[C@H]1O	ZINC000257303417	568712603	/nfs/dbraw/zinc/71/26/03/568712603.db2.gz	SHEMWOHOADMZQJ-ATLSCFEFSA-N	1	0	441.492	0.061	40	0		ICABRO
CNc1ncnc2c1ncn2[C@@H]1C[C@H](NC(=O)c2ccc(OCCC[NH3+])cc2)[C@H](O)[C@@H]1O	ZINC000257303418	568712826	/nfs/dbraw/zinc/71/28/26/568712826.db2.gz	SHEMWOHOADMZQJ-CIRFHOKZSA-N	1	0	441.492	0.061	40	0		ICABRO
[NH3+]CCOc1cccc(C(=O)N2C[C@H](O)[C@@H](n3cc(Br)c(=O)[nH]c3=O)C2)c1	ZINC000257305458	568713796	/nfs/dbraw/zinc/71/37/96/568713796.db2.gz	SQCOYSPOISXFIX-KBPBESRZSA-N	1	0	439.266	0.107	40	0		ICABRO
Nc1nc2c(ncn2[C@@H]2CCC[C@@H](NC(=O)c3cccc(OCCC[NH3+])c3)[C@H]2O)c(N)n1	ZINC000257305632	568713819	/nfs/dbraw/zinc/71/38/19/568713819.db2.gz	SQVOWDZDTDRPKV-BFYDXBDKSA-N	1	0	440.508	0.603	40	0		ICABRO
COc1cc(CN2CC[C@@](O)(CNC(=O)c3cnc[nH]3)[C@H](O)C2)ccc1OCC[NH+](C)C	ZINC000257310797	556718406	/nfs/dbraw/zinc/71/84/06/556718406.db2.gz	UGQCTRZZRYICCJ-IFMALSPDSA-N	1	0	447.536	0.086	40	0		ICABRO
Cn1ccnc1COc1ccc(C[N@@H+]2CC[C@@](O)(CNC(=O)c3cnc[nH]3)[C@H](O)C2)cc1	ZINC000257310847	556718547	/nfs/dbraw/zinc/71/85/47/556718547.db2.gz	UGXBGRPSDCMGQR-DENIHFKCSA-N	1	0	440.504	0.450	40	0		ICABRO
CN(C[C@]1(O)CCCN(c2ccnc3ccncc32)C1)C(=O)C[NH+]1CCC(C(N)=O)CC1	ZINC000257311179	568716064	/nfs/dbraw/zinc/71/60/64/568716064.db2.gz	UIHPJNYLZVUOFO-HSZRJFAPSA-N	1	0	440.548	0.617	40	0		ICABRO
CN(C[C@@]1(O)CCCN(c2ccnc3ccncc32)C1)C(=O)C[NH+]1CCC(C(N)=O)CC1	ZINC000257311180	568716020	/nfs/dbraw/zinc/71/60/20/568716020.db2.gz	UIHPJNYLZVUOFO-QHCPKHFHSA-N	1	0	440.548	0.617	40	0		ICABRO
C[C@@]1(O)CCN(C(=O)c2cccc(OCCC[NH3+])c2)C[C@H]1n1cnc2c1ncnc2N	ZINC000257315768	568718018	/nfs/dbraw/zinc/71/80/18/568718018.db2.gz	VCRSEFYPAWWUOJ-IIBYNOLFSA-N	1	0	425.493	0.974	40	0		ICABRO
[NH3+]CC(=O)N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1N1CCN(c2ccccc2)CC1	ZINC000257316976	568718502	/nfs/dbraw/zinc/71/85/02/568718502.db2.gz	VHURFKVHBMLLHI-SCPDWHHUSA-N	1	0	428.508	0.972	40	0		ICABRO
O=C(N[C@@H]1CCC[C@@H](N2CCNC(=O)C2)[C@@H]1O)c1ccc(OCC[NH+]2CCCC2)cc1	ZINC000257317563	568718866	/nfs/dbraw/zinc/71/88/66/568718866.db2.gz	VKGQXYWZQNZSRC-KCZVDYSFSA-N	1	0	430.549	0.605	40	0		ICABRO
O=C(COc1ccc(C[NH2+]C[C@]2(O)CCCN(c3cnccn3)C2)cc1)N1CCOCC1	ZINC000257319388	556704156	/nfs/dbraw/zinc/70/41/56/556704156.db2.gz	VSFPVMYNOIBOOA-HSZRJFAPSA-N	1	0	441.532	0.835	40	0		ICABRO
O=C(COc1ccc(C[NH2+]C[C@@]2(O)CCCN(c3cnccn3)C2)cc1)N1CCOCC1	ZINC000257319389	556704192	/nfs/dbraw/zinc/70/41/92/556704192.db2.gz	VSFPVMYNOIBOOA-QHCPKHFHSA-N	1	0	441.532	0.835	40	0		ICABRO
Cc1cn(C[C@]2(O)CC[C@H](N(C)C(=O)c3ccc(OCC[NH3+])cc3)C[C@H]2O)c(=O)[nH]c1=O	ZINC000257320354	568719952	/nfs/dbraw/zinc/71/99/52/568719952.db2.gz	VWLICCLVEAPUEN-AQOAWAETSA-N	1	0	446.504	0.012	40	0		ICABRO
C[C@]1(O)CC2(CCN(C(=O)CCCC[NH3+])CC2)OC[C@@H]1n1cc(Cl)c(=O)[nH]c1=O	ZINC000257322561	568721073	/nfs/dbraw/zinc/72/10/73/568721073.db2.gz	WGMMZFQGEQOHQX-KSSFIOAISA-N	1	0	428.917	0.805	40	0		ICABRO
O=C(COc1ccc(C[NH2+]C[C@]2(O)CCN(c3ncccn3)C2)cc1)N1CCOCC1	ZINC000257323892	556704895	/nfs/dbraw/zinc/70/48/95/556704895.db2.gz	WMHAZGOLNXCITF-JOCHJYFZSA-N	1	0	427.505	0.445	40	0		ICABRO
O=C(COc1ccc(C[NH2+]C[C@@]2(O)CCN(c3ncccn3)C2)cc1)N1CCOCC1	ZINC000257323893	556704780	/nfs/dbraw/zinc/70/47/80/556704780.db2.gz	WMHAZGOLNXCITF-QFIPXVFZSA-N	1	0	427.505	0.445	40	0		ICABRO
COc1cc(CN2C[C@@H](O)[C@H](NS(C)(=O)=O)C2)ccc1OCC[NH+]1CCC(C)CC1	ZINC000257325578	556704815	/nfs/dbraw/zinc/70/48/15/556704815.db2.gz	WTOYKOACMOFJSF-RTBURBONSA-N	1	0	441.594	0.900	40	0		ICABRO
C[NH+]1CCC(Cc2ccccc2)(C(=O)N2C[C@H](O)[C@@H](n3cc(F)c(=O)[nH]c3=O)C2)CC1	ZINC000257325755	568722867	/nfs/dbraw/zinc/72/28/67/568722867.db2.gz	WUGPHWXCEAUBPC-ROUUACIJSA-N	1	0	430.480	0.787	40	0		ICABRO
C[C@]1(O)COC2(CCN(C(=O)CCC[NH3+])CC2)C[C@@H]1n1c2ccccc2c(=O)[nH]c1=O	ZINC000257328290	568723681	/nfs/dbraw/zinc/72/36/81/568723681.db2.gz	XFALXLINBVTXMI-UWJYYQICSA-N	1	0	430.505	0.915	40	0		ICABRO
CC(=O)N1C[C@@H](c2ccccc2)[C@H]2[C@H]1CN(C(=O)[C@@H]1CCC[N@H+](CC(N)=O)C1)CC[C@H]2O	ZINC000257329593	568724024	/nfs/dbraw/zinc/72/40/24/568724024.db2.gz	XKRJNEYUGSQBDE-RRPPUSTOSA-N	1	0	442.560	0.408	40	0		ICABRO
CC(=O)N1C[C@@H](c2ccccc2)[C@H]2[C@H]1CN(C(=O)[C@H]1CCC[N@H+](CC(N)=O)C1)CC[C@H]2O	ZINC000257329594	568724230	/nfs/dbraw/zinc/72/42/30/568724230.db2.gz	XKRJNEYUGSQBDE-YDLBFBONSA-N	1	0	442.560	0.408	40	0		ICABRO
CC(=O)N1CC[NH+](C[C@]2(O)CCN(CC(=O)Nc3ccc4c(c3)OCCCO4)C2)CC1	ZINC000257329866	568724520	/nfs/dbraw/zinc/72/45/20/568724520.db2.gz	XLVGSPZQDYWCEY-JOCHJYFZSA-N	1	0	432.521	0.387	40	0		ICABRO
CC(=O)N1CC[NH+](C[C@@]2(O)CCN(CC(=O)Nc3ccc4c(c3)OCCCO4)C2)CC1	ZINC000257329867	568724500	/nfs/dbraw/zinc/72/45/00/568724500.db2.gz	XLVGSPZQDYWCEY-QFIPXVFZSA-N	1	0	432.521	0.387	40	0		ICABRO
CC(=O)N[C@@H](CCCC[NH3+])C(=O)NCC1(O)CCN(c2ccnc3ccncc32)CC1	ZINC000257333052	568725852	/nfs/dbraw/zinc/72/58/52/568725852.db2.gz	XZWXQTQQRNCATR-IBGZPJMESA-N	1	0	428.537	0.711	40	0		ICABRO
C[C@@]1(O)CN(C(=O)c2cccc(OCCC[NH3+])c2)CC[C@H]1n1cnc2c1ncnc2N	ZINC000257337920	568727846	/nfs/dbraw/zinc/72/78/46/568727846.db2.gz	YVAREMIWKPTZTF-IIBYNOLFSA-N	1	0	425.493	0.974	40	0		ICABRO
CN(C(=O)c1ccc(OCC[NH+]2CCCC2)cc1)[C@@H]1CC[C@@H](N2CCNC(=O)C2)[C@@H]1O	ZINC000257338080	568727866	/nfs/dbraw/zinc/72/78/66/568727866.db2.gz	YVSQOUZKSFCOLK-KCZVDYSFSA-N	1	0	430.549	0.557	40	0		ICABRO
CN1CCN(C[C@]2(O)CC[N@H+](Cc3ccc(OCC(=O)N4CCOCC4)cc3)C2)CC1	ZINC000257339906	556706978	/nfs/dbraw/zinc/70/69/78/556706978.db2.gz	ZDQKCIJOUMSIBO-HSZRJFAPSA-N	1	0	432.565	0.108	40	0		ICABRO
CN1CCN(C[C@@]2(O)CC[N@H+](Cc3ccc(OCC(=O)N4CCOCC4)cc3)C2)CC1	ZINC000257339907	556707153	/nfs/dbraw/zinc/70/71/53/556707153.db2.gz	ZDQKCIJOUMSIBO-QHCPKHFHSA-N	1	0	432.565	0.108	40	0		ICABRO
CC(=O)NC1CC[NH+](C[C@]2(O)CCN(CC(=O)Nc3ccc4c(c3)nc(C)n4C)C2)CC1	ZINC000257340771	568728879	/nfs/dbraw/zinc/72/88/79/568728879.db2.gz	ZHMVVBRGJKKSTE-HSZRJFAPSA-N	1	0	442.564	0.858	40	0		ICABRO
CC(=O)NC1CC[NH+](C[C@@]2(O)CCN(CC(=O)Nc3ccc4c(c3)nc(C)n4C)C2)CC1	ZINC000257340772	568728988	/nfs/dbraw/zinc/72/89/88/568728988.db2.gz	ZHMVVBRGJKKSTE-QHCPKHFHSA-N	1	0	442.564	0.858	40	0		ICABRO
Cc1cn([C@H]2CN(C(=O)c3cccc(OCCC[NH3+])c3)C[C@H](O)C[C@]2(C)O)c(=O)[nH]c1=O	ZINC000257342651	568729629	/nfs/dbraw/zinc/72/96/29/568729629.db2.gz	ZPNUYEDNXZZRBE-NRJQMVOHSA-N	1	0	446.504	0.184	40	0		ICABRO
CC(=O)N1CCN(C[C@]2(O)CC[N@H+](CC3(O)CCN(c4ccccc4F)CC3)C2)CC1	ZINC000257344452	568730569	/nfs/dbraw/zinc/73/05/69/568730569.db2.gz	ZXGAUBHWUZEMKZ-HSZRJFAPSA-N	1	0	434.556	0.758	40	0		ICABRO
CC(=O)N1CCN(C[C@@]2(O)CC[N@H+](CC3(O)CCN(c4ccccc4F)CC3)C2)CC1	ZINC000257344453	568730613	/nfs/dbraw/zinc/73/06/13/568730613.db2.gz	ZXGAUBHWUZEMKZ-QHCPKHFHSA-N	1	0	434.556	0.758	40	0		ICABRO
CS(=O)(=O)N1CCN(c2cnc3ccc(C(=O)NCC[NH+]4CCCCC4)cc3n2)CC1	ZINC000306123900	568763042	/nfs/dbraw/zinc/76/30/42/568763042.db2.gz	BAAXPEZEXWASNZ-UHFFFAOYSA-N	1	0	446.577	0.927	40	0		ICABRO
O=S(=O)(C1CC1)N1Cc2cnc(N3CCOCC3)nc2[C@]2(CC[N@H+](CC3CC3)C2)C1	ZINC000306127909	568764964	/nfs/dbraw/zinc/76/49/64/568764964.db2.gz	GKLSXPCWMWGGEO-NRFANRHFSA-N	1	0	433.578	0.975	40	0		ICABRO
O=S(=O)(C1CC1)N1Cc2cnc(N3CCOCC3)nc2[C@@]2(CC[N@H+](CC3CC3)C2)C1	ZINC000306127910	568764887	/nfs/dbraw/zinc/76/48/87/568764887.db2.gz	GKLSXPCWMWGGEO-OAQYLSRUSA-N	1	0	433.578	0.975	40	0		ICABRO
CS(=O)(=O)N1CCc2nc3n(c(=O)c2C1)CC1(C3)CC[NH+](Cc2cccnc2)CC1	ZINC000306132280	568767207	/nfs/dbraw/zinc/76/72/07/568767207.db2.gz	LDQTVJFTEWEDFX-UHFFFAOYSA-N	1	0	429.546	0.795	40	0		ICABRO
CN1CCN(c2ncccn2)C[C@H]1c1nnc2ccc(C(=O)NCC[NH+]3CCCC3)cn21	ZINC000306136103	568769217	/nfs/dbraw/zinc/76/92/17/568769217.db2.gz	PJEUHSVIWYRVAG-SFHVURJKSA-N	1	0	435.536	0.838	40	0		ICABRO
CC(=O)N1CCc2ncnc(-c3cnn(C)c3)c2C[C@@H](C(=O)N2CC[C@H]([NH+](C)C)C2)C1	ZINC000306138414	568770474	/nfs/dbraw/zinc/77/04/74/568770474.db2.gz	RXFJUAMBJOEUHU-AEFFLSMTSA-N	1	0	425.537	0.603	40	0		ICABRO
CC(=O)N1CCc2ncnc(-c3cnn(C)c3)c2C[C@H](C(=O)N2CC[C@@H]([NH+](C)C)C2)C1	ZINC000306138415	568770331	/nfs/dbraw/zinc/77/03/31/568770331.db2.gz	RXFJUAMBJOEUHU-FUHWJXTLSA-N	1	0	425.537	0.603	40	0		ICABRO
CC(=O)N1CCc2ncnc(-c3cnn(C)c3)c2C[C@@H](C(=O)N2CC[C@@H]([NH+](C)C)C2)C1	ZINC000306138416	568770350	/nfs/dbraw/zinc/77/03/50/568770350.db2.gz	RXFJUAMBJOEUHU-SJLPKXTDSA-N	1	0	425.537	0.603	40	0		ICABRO
CC(=O)N1CCc2ncnc(-c3cnn(C)c3)c2C[C@H](C(=O)N2CC[C@H]([NH+](C)C)C2)C1	ZINC000306138417	568770544	/nfs/dbraw/zinc/77/05/44/568770544.db2.gz	RXFJUAMBJOEUHU-WMZOPIPTSA-N	1	0	425.537	0.603	40	0		ICABRO
CS(=O)(=O)N1CCc2nc3n(c(=O)c2C1)CC1(C3)CC[NH+](Cc2ccccn2)CC1	ZINC000306139611	568771308	/nfs/dbraw/zinc/77/13/08/568771308.db2.gz	TVTDJBXWAWQIHC-UHFFFAOYSA-N	1	0	429.546	0.795	40	0		ICABRO
COCCN1Cc2c(C(=O)N3CC[C@H]([NH+](C)C)C3)cnn2-c2ccccc2S1(=O)=O	ZINC000306141682	568772436	/nfs/dbraw/zinc/77/24/36/568772436.db2.gz	WDTBPLHYHUKCMZ-HNNXBMFYSA-N	1	0	433.534	0.799	40	0		ICABRO
COCCN1Cc2c(C(=O)N3CC[C@@H]([NH+](C)C)C3)cnn2-c2ccccc2S1(=O)=O	ZINC000306141683	568772431	/nfs/dbraw/zinc/77/24/31/568772431.db2.gz	WDTBPLHYHUKCMZ-OAHLLOKOSA-N	1	0	433.534	0.799	40	0		ICABRO
C[NH+]1CCN(CCNc2cc(-c3cccc(OC(F)(F)F)c3)nc(NCCO)n2)CC1	ZINC000328985698	568808677	/nfs/dbraw/zinc/80/86/77/568808677.db2.gz	HUHQPYKLHJTBGC-UHFFFAOYSA-N	1	0	440.470	0.950	40	0		ICABRO
CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(nc2-1)CC[C@H](O)[C@H]3C[NH+](C)C	ZINC000584577191	568897570	/nfs/dbraw/zinc/89/75/70/568897570.db2.gz	DEBGLQIKYVLMIP-FAHJTYSBSA-N	1	0	425.485	0.879	40	0		ICABRO
CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(nc2-1)CC[C@@H](O)[C@@H]3C[NH+](C)C	ZINC000584577193	568897414	/nfs/dbraw/zinc/89/74/14/568897414.db2.gz	DEBGLQIKYVLMIP-FOZYCNAUSA-N	1	0	425.485	0.879	40	0		ICABRO
CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(nc2-1)CC[C@@H](O)[C@H]3C[NH+](C)C	ZINC000584577194	568897559	/nfs/dbraw/zinc/89/75/59/568897559.db2.gz	DEBGLQIKYVLMIP-HLNIAZEUSA-N	1	0	425.485	0.879	40	0		ICABRO
CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(nc2-1)CC[C@H](O)[C@@H]3C[NH+](C)C	ZINC000584577195	568897531	/nfs/dbraw/zinc/89/75/31/568897531.db2.gz	DEBGLQIKYVLMIP-OTURYTIQSA-N	1	0	425.485	0.879	40	0		ICABRO
O=C(NC1CS(=O)(=O)C1)[C@@H]1C[N@@H+](Cc2cccc(OCCO)c2)CC12CCOCC2	ZINC000585101981	557035484	/nfs/dbraw/zinc/03/54/84/557035484.db2.gz	PWBNPHGRVOGNPF-IBGZPJMESA-N	1	0	438.546	0.200	40	0		ICABRO
O=C(NC1CS(=O)(=O)C1)[C@H]1C[N@@H+](Cc2cccc(OCCO)c2)CC12CCOCC2	ZINC000585101982	557035778	/nfs/dbraw/zinc/03/57/78/557035778.db2.gz	PWBNPHGRVOGNPF-LJQANCHMSA-N	1	0	438.546	0.200	40	0		ICABRO
COCC(=O)NC[C@]1(O)CC[N@H+](Cc2ccc(OCCn3nc(C)cc3C)cc2)C[C@H]1O	ZINC000585270409	557214286	/nfs/dbraw/zinc/21/42/86/557214286.db2.gz	JGLYRAYITRQXOG-FYYLOGMGSA-N	1	0	446.548	0.639	40	0		ICABRO
O=C(NC[C@]1(O)C[N@@H+](Cc2ccc(OCCn3cccn3)cc2)C[C@H]1O)c1ccccn1	ZINC000585270414	557214241	/nfs/dbraw/zinc/21/42/41/557214241.db2.gz	JIARJAKJTDASLP-GGAORHGYSA-N	1	0	437.500	0.695	40	0		ICABRO
CC(=O)N1CCN([C@H]2C[N@H+](Cc3ccc(OCCN4CCCC4=O)cc3)C[C@@H]2O)CC1	ZINC000585270436	557213990	/nfs/dbraw/zinc/21/39/90/557213990.db2.gz	JYGXIQXLGMDLFW-VXKWHMMOSA-N	1	0	430.549	0.397	40	0		ICABRO
Cn1ccnc1COc1ccc(C[N@@H+]2C[C@@H](O)[C@](O)(CNC(=O)c3cscn3)C2)cc1	ZINC000585270503	568616732	/nfs/dbraw/zinc/61/67/32/568616732.db2.gz	LNESAGOLRVZUMA-NQIIRXRSSA-N	1	0	443.529	0.793	40	0		ICABRO
COCC(=O)NC[C@]1(O)C[N@H+](Cc2ccc(OCCn3nc(C)cc3C)cc2)C[C@H]1O	ZINC000585270579	568617008	/nfs/dbraw/zinc/61/70/08/568617008.db2.gz	MPRRDJFDMGQWRA-IRLDBZIGSA-N	1	0	432.521	0.249	40	0		ICABRO
O=C(NC[C@]1(O)C[N@@H+](Cc2ccc(OCCn3cccn3)cc2)C[C@H]1O)c1cscn1	ZINC000585270602	568617060	/nfs/dbraw/zinc/61/70/60/568617060.db2.gz	NEMAQEOPLNKRQG-CTNGQTDRSA-N	1	0	443.529	0.756	40	0		ICABRO
Cn1ccnc1COc1ccc(C[N@@H+]2C[C@@H](O)[C@](O)(CNC(=O)c3ccccn3)C2)cc1	ZINC000585270652	568617317	/nfs/dbraw/zinc/61/73/17/568617317.db2.gz	OEHRGUMQOHXALX-OFNKIYASSA-N	1	0	437.500	0.732	40	0		ICABRO
O=C(NC[C@]1(O)C[N@@H+](Cc2cccc(CN3CCOCC3)c2)C[C@H]1O)c1ccccn1	ZINC000585270741	568617257	/nfs/dbraw/zinc/61/72/57/568617257.db2.gz	ATTJRVISFWNJMS-GGAORHGYSA-N	1	0	426.517	0.251	40	0		ICABRO
COc1cc(C[NH2+]C[C@]2(O)CCN(c3ncccn3)C2)ccc1OCCN1CCOCC1	ZINC000585270746	568617154	/nfs/dbraw/zinc/61/71/54/568617154.db2.gz	AVJYUXVNXWDQBV-HSZRJFAPSA-N	1	0	443.548	0.927	40	0		ICABRO
COc1cc(C[NH2+]C[C@@]2(O)CCN(c3ncccn3)C2)ccc1OCCN1CCOCC1	ZINC000585270749	568617132	/nfs/dbraw/zinc/61/71/32/568617132.db2.gz	AVJYUXVNXWDQBV-QHCPKHFHSA-N	1	0	443.548	0.927	40	0		ICABRO
CCOc1cc(C[N@@H+]2C[C@H](O)[C@@H](N3CCOCC3)C2)ccc1OCCN1CCOCC1	ZINC000585270753	568617272	/nfs/dbraw/zinc/61/72/72/568617272.db2.gz	AXLPZAMBRSKRAB-SFTDATJTSA-N	1	0	435.565	0.674	40	0		ICABRO
COc1cc(C[N@@H+]2CC[C@@](O)(CN3CCOCC3)C2)ccc1OCCN1CCOCC1	ZINC000585271344	568618133	/nfs/dbraw/zinc/61/81/33/568618133.db2.gz	FKEYISIDKNVUHV-HSZRJFAPSA-N	1	0	435.565	0.675	40	0		ICABRO
COc1cc(C[N@@H+]2CC[C@](O)(CN3CCOCC3)C2)ccc1OCCN1CCOCC1	ZINC000585271345	568618180	/nfs/dbraw/zinc/61/81/80/568618180.db2.gz	FKEYISIDKNVUHV-QHCPKHFHSA-N	1	0	435.565	0.675	40	0		ICABRO
COCC(=O)NC[C@]1(O)CC[N@H+](Cc2ccc(OCCCN3CCCC3=O)cc2)C[C@H]1O	ZINC000585271524	557213385	/nfs/dbraw/zinc/21/33/85/557213385.db2.gz	ZOONULKXVTVQEE-NFBKMPQASA-N	1	0	449.548	0.138	40	0		ICABRO
CS(=O)(=O)NC[C@]1(O)CCN(Cc2cccc(OCC[NH+]3CCCCC3)c2)C[C@H]1O	ZINC000585273056	557215205	/nfs/dbraw/zinc/21/52/05/557215205.db2.gz	OYJYHMLAHLJNLF-NHCUHLMSSA-N	1	0	441.594	0.398	40	0		ICABRO
CC(=O)N1CCN([C@H]2C[N@H+](Cc3ccc(OCCN4CCOCC4)cc3)C[C@@H]2O)CC1	ZINC000585274196	557218536	/nfs/dbraw/zinc/21/85/36/557218536.db2.gz	UMQXWUMBOYQSBU-GOTSBHOMSA-N	1	0	432.565	0.107	40	0		ICABRO
O=C(NC[C@]1(O)C[N@@H+](Cc2cccc(CN3CCOCC3)c2)C[C@H]1O)c1cscn1	ZINC000585274459	568618425	/nfs/dbraw/zinc/61/84/25/568618425.db2.gz	XOKDZTZKFIDSRZ-CTNGQTDRSA-N	1	0	432.546	0.313	40	0		ICABRO
COc1cc(CN2C[C@@H](O)[C@](O)(CNC(=O)c3ccccn3)C2)ccc1OCC[NH+](C)C	ZINC000585274705	568618531	/nfs/dbraw/zinc/61/85/31/568618531.db2.gz	ZONRDKZOLFIPSP-GGAORHGYSA-N	1	0	444.532	0.368	40	0		ICABRO
CC(=O)N1CCC(O)(C[N@@H+]2CC[C@H](O)[C@@](O)(COc3cc(F)c(F)c(F)c3)C2)CC1	ZINC000585282452	557221679	/nfs/dbraw/zinc/22/16/79/557221679.db2.gz	KIDQXRNXZJGLRK-PXNSSMCTSA-N	1	0	432.439	0.654	40	0		ICABRO
COCC(=O)N1CC[N@@H+](C2CCN(C(C)=O)CC2)C[C@](O)(COc2cccc(F)c2)C1	ZINC000585282455	557221725	/nfs/dbraw/zinc/22/17/25/557221725.db2.gz	KIKWHZHQZYILPS-JOCHJYFZSA-N	1	0	437.512	0.737	40	0		ICABRO
COCC(=O)N1CC[N@@H+](C2CCN(C(C)=O)CC2)C[C@@](O)(COc2cccc(F)c2)C1	ZINC000585282457	557221742	/nfs/dbraw/zinc/22/17/42/557221742.db2.gz	KIKWHZHQZYILPS-QFIPXVFZSA-N	1	0	437.512	0.737	40	0		ICABRO
CNC(=O)[C@@H]1CN(S(C)(=O)=O)CC[N@H+](CC2(O)CCN(c3ccc(F)cc3)CC2)C1	ZINC000585282495	557221717	/nfs/dbraw/zinc/22/17/17/557221717.db2.gz	FDHLRZNSVZCATK-INIZCTEOSA-N	1	0	442.557	0.096	40	0		ICABRO
CNC(=O)[C@H]1CN(S(C)(=O)=O)CC[N@H+](CC2(O)CCN(c3ccc(F)cc3)CC2)C1	ZINC000585282498	557221673	/nfs/dbraw/zinc/22/16/73/557221673.db2.gz	FDHLRZNSVZCATK-MRXNPFEDSA-N	1	0	442.557	0.096	40	0		ICABRO
COCC(=O)N1CC[N@H+](CC2(O)CCOCC2)C[C@](O)(COc2ccc(C)c(C)c2)C1	ZINC000585283083	557222351	/nfs/dbraw/zinc/22/23/51/557222351.db2.gz	PPNHVFRTUVYUPH-HSZRJFAPSA-N	1	0	436.549	0.745	40	0		ICABRO
COCC(=O)N1CC[N@H+](CC2(O)CCOCC2)C[C@@](O)(COc2ccc(C)c(C)c2)C1	ZINC000585283088	557222397	/nfs/dbraw/zinc/22/23/97/557222397.db2.gz	PPNHVFRTUVYUPH-QHCPKHFHSA-N	1	0	436.549	0.745	40	0		ICABRO
CC(=O)N1CCC(O)(C[N@@H+]2CCN(C(C)=O)C[C@](O)(COc3ccc(C)c(C)c3)C2)CC1	ZINC000585283104	557222497	/nfs/dbraw/zinc/22/24/97/557222497.db2.gz	PTWYNEOHQZACAW-DEOSSOPVSA-N	1	0	447.576	0.951	40	0		ICABRO
CC(=O)N1CCC(O)(C[N@@H+]2CCN(C(C)=O)C[C@@](O)(COc3ccc(C)c(C)c3)C2)CC1	ZINC000585283107	557222341	/nfs/dbraw/zinc/22/23/41/557222341.db2.gz	PTWYNEOHQZACAW-XMMPIXPASA-N	1	0	447.576	0.951	40	0		ICABRO
CNC(=O)[C@H]1CN(S(C)(=O)=O)CC[N@H+](CC2(O)CCN(c3ccc(C)cc3)CC2)C1	ZINC000585283259	557222893	/nfs/dbraw/zinc/22/28/93/557222893.db2.gz	MOHHQXDTWNOOSV-GOSISDBHSA-N	1	0	438.594	0.266	40	0		ICABRO
CNC(=O)[C@@H]1CN(S(C)(=O)=O)CC[N@H+](CC2(O)CCN(c3ccc(C)cc3)CC2)C1	ZINC000585283261	557222868	/nfs/dbraw/zinc/22/28/68/557222868.db2.gz	MOHHQXDTWNOOSV-SFHVURJKSA-N	1	0	438.594	0.266	40	0		ICABRO
COCCN1CC[NH+](C[C@@]2(O)CCN(C(=O)Cc3ccc(Cl)cc3)C[C@@H]2O)CC1	ZINC000585283835	557223019	/nfs/dbraw/zinc/22/30/19/557223019.db2.gz	IAJYTXVNYRKLNA-FPOVZHCZSA-N	1	0	425.957	0.471	40	0		ICABRO
CNC(=O)[C@H]1CN(S(C)(=O)=O)CC[N@H+](CC2(O)CCN(c3cccc(C)c3)CC2)C1	ZINC000585283943	557223184	/nfs/dbraw/zinc/22/31/84/557223184.db2.gz	PTAGMXYEMPPSTD-GOSISDBHSA-N	1	0	438.594	0.266	40	0		ICABRO
CNC(=O)[C@@H]1CN(S(C)(=O)=O)CC[N@H+](CC2(O)CCN(c3cccc(C)c3)CC2)C1	ZINC000585283946	557223486	/nfs/dbraw/zinc/22/34/86/557223486.db2.gz	PTAGMXYEMPPSTD-SFHVURJKSA-N	1	0	438.594	0.266	40	0		ICABRO
CCOC(=O)N1CCC(O)(C[N@@H+]2CC[C@H](O)[C@@](O)(COc3ccc(F)cc3)C2)CC1	ZINC000585284112	557223381	/nfs/dbraw/zinc/22/33/81/557223381.db2.gz	VBAZPGQHEBXFMM-RXVVDRJESA-N	1	0	426.485	0.986	40	0		ICABRO
O=C(Cc1ccc(Cl)cc1)N1CC[C@](O)(C[NH2+]CCCN2CCOCC2)[C@@H](O)C1	ZINC000585284396	557224114	/nfs/dbraw/zinc/22/41/14/557224114.db2.gz	KUIPPDJGOYQSER-FPOVZHCZSA-N	1	0	425.957	0.519	40	0		ICABRO
CNC(=O)[C@@H]1CN(S(C)(=O)=O)CC[N@H+](CC2(O)CCN(c3ccccc3F)CC2)C1	ZINC000585284640	557224120	/nfs/dbraw/zinc/22/41/20/557224120.db2.gz	UIAMLFJXOBPSOA-INIZCTEOSA-N	1	0	442.557	0.096	40	0		ICABRO
CNC(=O)[C@H]1CN(S(C)(=O)=O)CC[N@H+](CC2(O)CCN(c3ccccc3F)CC2)C1	ZINC000585284642	557224243	/nfs/dbraw/zinc/22/42/43/557224243.db2.gz	UIAMLFJXOBPSOA-MRXNPFEDSA-N	1	0	442.557	0.096	40	0		ICABRO
C[C@@]1(O)CC2(CCN(C(=O)[C@H]3CCC[NH2+]C3)CC2)OC[C@H]1n1cnc2c1ncnc2N	ZINC000585285511	557224799	/nfs/dbraw/zinc/22/47/99/557224799.db2.gz	KHGGCFXRASCPGO-BXTJHSDWSA-N	1	0	429.525	0.482	40	0		ICABRO
C[C@@]1(O)CC2(CCN(C(=O)[C@@H]3CCC[NH2+]C3)CC2)OC[C@H]1n1cnc2c1ncnc2N	ZINC000585285518	557225011	/nfs/dbraw/zinc/22/50/11/557225011.db2.gz	KHGGCFXRASCPGO-STXHMFSFSA-N	1	0	429.525	0.482	40	0		ICABRO
COc1ccc(C[NH2+]C[C@@]2(O)CN(S(=O)(=O)c3ccccc3)CC[C@@H]2O)c(OC)c1	ZINC000585285614	557224777	/nfs/dbraw/zinc/22/47/77/557224777.db2.gz	RBACPQAJYVEYCB-LEWJYISDSA-N	1	0	436.530	0.980	40	0		ICABRO
C[C@@]1(O)CC2(CCN(C(=O)[C@@H]3CCCC[NH2+]3)CC2)OC[C@H]1n1cnc2c1ncnc2N	ZINC000585285726	568619086	/nfs/dbraw/zinc/61/90/86/568619086.db2.gz	MGVSDTVDWMYRFF-BXTJHSDWSA-N	1	0	429.525	0.624	40	0		ICABRO
COCC(=O)N1CC[N@H+](CC2(O)CCOCC2)C[C@@](O)(COc2cc(F)cc(F)c2)C1	ZINC000585285863	557224838	/nfs/dbraw/zinc/22/48/38/557224838.db2.gz	DKXNIRJSGDHOFW-NRFANRHFSA-N	1	0	444.475	0.407	40	0		ICABRO
COCC(=O)N1CC[N@H+](CC2(O)CCOCC2)C[C@](O)(COc2cc(F)cc(F)c2)C1	ZINC000585285870	557224823	/nfs/dbraw/zinc/22/48/23/557224823.db2.gz	DKXNIRJSGDHOFW-OAQYLSRUSA-N	1	0	444.475	0.407	40	0		ICABRO
CSCC[C@H]([NH3+])C(=O)N1CCC2(CC1)C[C@H](n1ccc(=O)[nH]c1=O)[C@@](C)(O)CO2	ZINC000585285900	568619088	/nfs/dbraw/zinc/61/90/88/568619088.db2.gz	NNRCFUVNAPNKJF-DEYYWGMASA-N	1	0	426.539	0.103	40	0		ICABRO
C[C@@]1(O)CC2(CCN(C(=O)C3CC[NH2+]CC3)CC2)OC[C@H]1n1cnc2c1ncnc2N	ZINC000585286113	557225213	/nfs/dbraw/zinc/22/52/13/557225213.db2.gz	NZFXRULBDMNUER-FOIQADDNSA-N	1	0	429.525	0.482	40	0		ICABRO
C[C@@]1(O)CC2(CCN(C(=O)CCCC[NH3+])CC2)OC[C@H]1n1cnc2c1nc(N)nc2N	ZINC000585286937	569585152	/nfs/dbraw/zinc/58/51/52/569585152.db2.gz	YDRUGEUYCJYMRF-BFUOFWGJSA-N	1	0	432.529	0.193	40	0		ICABRO
C[C@@]1(O)CC2(CCN(C(=O)[C@@H]3CCCC[NH2+]3)CC2)OC[C@H]1n1cnc2c1nc(N)nc2N	ZINC000585286951	569585104	/nfs/dbraw/zinc/58/51/04/569585104.db2.gz	YMVIFVHIUPTMLW-LRDNONRASA-N	1	0	444.540	0.206	40	0		ICABRO
CC(=O)N1CCC(O)(C[N@@H+]2CCN(C(C)=O)C[C@](O)(COc3cc(C)cc(C)c3)C2)CC1	ZINC000585287224	557225989	/nfs/dbraw/zinc/22/59/89/557225989.db2.gz	LBZMTVYQTPWZSY-DEOSSOPVSA-N	1	0	447.576	0.951	40	0		ICABRO
CC(=O)N1CCC(O)(C[N@@H+]2CCN(C(C)=O)C[C@@](O)(COc3cc(C)cc(C)c3)C2)CC1	ZINC000585287225	557226330	/nfs/dbraw/zinc/22/63/30/557226330.db2.gz	LBZMTVYQTPWZSY-XMMPIXPASA-N	1	0	447.576	0.951	40	0		ICABRO
CN(C)C(=O)[C@H]1CN(S(C)(=O)=O)CC[N@@H+]([C@H]2CCC[C@@H](Oc3ccccc3)[C@@H]2O)C1	ZINC000585288890	557226283	/nfs/dbraw/zinc/22/62/83/557226283.db2.gz	LBFHFIBOBFNVOO-GSEOLPGOSA-N	1	0	439.578	0.629	40	0		ICABRO
CN(C)C(=O)[C@@H]1CN(S(C)(=O)=O)CC[N@@H+]([C@H]2CCC[C@@H](Oc3ccccc3)[C@@H]2O)C1	ZINC000585288897	557226267	/nfs/dbraw/zinc/22/62/67/557226267.db2.gz	LBFHFIBOBFNVOO-IJXRJRJASA-N	1	0	439.578	0.629	40	0		ICABRO
O=S(=O)(c1ccccc1)N1C[C@@H](O)[C@](O)(C[NH2+]Cc2ccc3c(c2)OCCCO3)C1	ZINC000585288914	557226240	/nfs/dbraw/zinc/22/62/40/557226240.db2.gz	AOLFSYJUIDVDEA-RTWAWAEBSA-N	1	0	434.514	0.734	40	0		ICABRO
COc1ccc(CC[NH2+]C[C@]2(O)CN(S(=O)(=O)c3ccccc3)C[C@H]2O)cc1OC	ZINC000585289040	557226564	/nfs/dbraw/zinc/22/65/64/557226564.db2.gz	CFOSZSCZJOWSNF-RTWAWAEBSA-N	1	0	436.530	0.632	40	0		ICABRO
O=S(=O)(c1ccccc1)N1C[C@@H](O)[C@](O)(C[NH2+]CCCn2ccc(C(F)(F)F)n2)C1	ZINC000585289111	557226580	/nfs/dbraw/zinc/22/65/80/557226580.db2.gz	DZGHHWZLWHIAIO-SJORKVTESA-N	1	0	448.467	0.678	40	0		ICABRO
CNC(=O)[C@@H]1CN(S(C)(=O)=O)CC[N@@H+]([C@H]2CCC[C@@H](Oc3ccccc3)[C@@H]2O)C1	ZINC000585289142	557226590	/nfs/dbraw/zinc/22/65/90/557226590.db2.gz	MYWZWPMPFOXUAG-GDAAHCPNSA-N	1	0	425.551	0.287	40	0		ICABRO
CNC(=O)[C@H]1CN(S(C)(=O)=O)CC[N@@H+]([C@H]2CCC[C@@H](Oc3ccccc3)[C@@H]2O)C1	ZINC000585289148	557226690	/nfs/dbraw/zinc/22/66/90/557226690.db2.gz	MYWZWPMPFOXUAG-QXCFHYIPSA-N	1	0	425.551	0.287	40	0		ICABRO
COc1ccc(OCC[N@H+](C)C[C@]2(O)CN(S(=O)(=O)c3ccccc3)C[C@H]2O)cc1	ZINC000585289507	557226662	/nfs/dbraw/zinc/22/66/62/557226662.db2.gz	JKSNPTXZUAIFKP-RTWAWAEBSA-N	1	0	436.530	0.802	40	0		ICABRO
O=S(=O)(c1ccccc1)N1C[C@@H](O)[C@](O)(C[NH2+]CCc2ccc3c(c2)OCCO3)C1	ZINC000585290220	557227264	/nfs/dbraw/zinc/22/72/64/557227264.db2.gz	OWIBGZNYWKSDMI-RTWAWAEBSA-N	1	0	434.514	0.386	40	0		ICABRO
CCCC[C@@H]([NH3+])C(=O)N1CCC2(CC1)C[C@@](C)(O)[C@H](n1cnc3c1nc(N)nc3N)CO2	ZINC000585290272	569585139	/nfs/dbraw/zinc/58/51/39/569585139.db2.gz	AVNYVJPSWFEAQR-ARGWCVDVSA-N	1	0	446.556	0.582	40	0		ICABRO
Cc1ccnc(C2CC[NH+](C[C@]3(O)CN(S(=O)(=O)c4ccccc4)C[C@H]3O)CC2)n1	ZINC000585290595	557227911	/nfs/dbraw/zinc/22/79/11/557227911.db2.gz	DCHHWRBRRFKCSQ-CTNGQTDRSA-N	1	0	432.546	0.761	40	0		ICABRO
CNc1nccnc1C1CC[NH+](C[C@]2(O)CN(S(=O)(=O)c3ccccc3)C[C@H]2O)CC1	ZINC000585290610	557228034	/nfs/dbraw/zinc/22/80/34/557228034.db2.gz	DOTSEVFQADDLBA-NQIIRXRSSA-N	1	0	447.561	0.494	40	0		ICABRO
COc1ccc(C[NH2+]C[C@]2(O)CN(S(=O)(=O)c3ccccc3)CC[C@H]2O)cc1OC	ZINC000585290727	557227905	/nfs/dbraw/zinc/22/79/05/557227905.db2.gz	VUCYRJDIHUMUAF-RTWAWAEBSA-N	1	0	436.530	0.980	40	0		ICABRO
O=S(=O)(c1ccccc1)N1C[C@@H](O)[C@](O)(C[NH2+]CCc2cnn(-c3ccccc3)c2)C1	ZINC000585290888	557228373	/nfs/dbraw/zinc/22/83/73/557228373.db2.gz	GSSFFKNTPZEFGI-YADHBBJMSA-N	1	0	442.541	0.801	40	0		ICABRO
CNc1cncc(C2CC[NH+](C[C@]3(O)CN(S(=O)(=O)c4ccccc4)C[C@H]3O)CC2)n1	ZINC000585290933	557228297	/nfs/dbraw/zinc/22/82/97/557228297.db2.gz	HIRBDINBLJXEQA-CTNGQTDRSA-N	1	0	447.561	0.494	40	0		ICABRO
Cn1ccnc1CC1CC[NH+](C[C@]2(O)CN(S(=O)(=O)c3ccccc3)C[C@H]2O)CC1	ZINC000585291113	557228647	/nfs/dbraw/zinc/22/86/47/557228647.db2.gz	KSTHFBOJGASSAB-CTNGQTDRSA-N	1	0	434.562	0.471	40	0		ICABRO
Cn1c2ccccc2nc1CC[NH2+]C[C@]1(O)CN(S(=O)(=O)c2ccccc2)C[C@H]1O	ZINC000585291115	557228672	/nfs/dbraw/zinc/22/86/72/557228672.db2.gz	KUTSLXAPIUWKGC-CTNGQTDRSA-N	1	0	430.530	0.502	40	0		ICABRO
CCCC[C@H]([NH3+])C(=O)N1CCC2(CC1)C[C@@](C)(O)[C@H](n1cnc3c1ncnc3N)CO2	ZINC000585291147	557228705	/nfs/dbraw/zinc/22/87/05/557228705.db2.gz	LFQCKHCZIVDNTE-BXTJHSDWSA-N	1	0	431.541	1.000	40	0		ICABRO
O=S(=O)(c1ccccc1)N1C[C@@H](O)[C@](O)(C[NH2+]C2CCN(Cc3cccnc3)CC2)C1	ZINC000585291250	557228665	/nfs/dbraw/zinc/22/86/65/557228665.db2.gz	MFVPQRFGHXAXCQ-YADHBBJMSA-N	1	0	446.573	0.432	40	0		ICABRO
CNc1cc(C2CC[NH+](C[C@]3(O)CN(S(=O)(=O)c4ccccc4)C[C@H]3O)CC2)ccn1	ZINC000585291281	569583255	/nfs/dbraw/zinc/58/32/55/569583255.db2.gz	MRRAXLUSFLVCPP-IRLDBZIGSA-N	1	0	446.573	1.099	40	0		ICABRO
O=S(=O)(c1ccccc1)N1C[C@@H](O)[C@](O)(C[NH2+]Cc2cnn(-c3ccc(F)cc3)c2)C1	ZINC000585291284	557228762	/nfs/dbraw/zinc/22/87/62/557228762.db2.gz	MSGUNSXAPZMPMG-RTWAWAEBSA-N	1	0	446.504	0.898	40	0		ICABRO
Cc1cnc(N)nc1C1CC[NH+](C[C@]2(O)CN(S(=O)(=O)c3ccccc3)C[C@H]2O)CC1	ZINC000585291287	569585160	/nfs/dbraw/zinc/58/51/60/569585160.db2.gz	MWOQGGGKPJQDIF-NQIIRXRSSA-N	1	0	447.561	0.343	40	0		ICABRO
O=c1oc2ccccc2n1CCC[NH2+]C[C@]1(O)CN(S(=O)(=O)c2ccccc2)C[C@H]1O	ZINC000585291303	557228726	/nfs/dbraw/zinc/22/87/26/557228726.db2.gz	NELBDFQNWOIGNH-CTNGQTDRSA-N	1	0	447.513	0.371	40	0		ICABRO
O=S(=O)(c1ccccc1)N1C[C@@H](O)[C@](O)(C[NH2+]CCc2ccc3c(c2)OCCCO3)C1	ZINC000585291345	557228626	/nfs/dbraw/zinc/22/86/26/557228626.db2.gz	NWFHNPDMPHZNSH-YADHBBJMSA-N	1	0	448.541	0.777	40	0		ICABRO
CCn1c2ccccc2nc1C[NH2+]C[C@]1(O)CN(S(=O)(=O)c2ccccc2)C[C@H]1O	ZINC000585291371	557228737	/nfs/dbraw/zinc/22/87/37/557228737.db2.gz	OKMZKXFNFDNUKC-CTNGQTDRSA-N	1	0	430.530	0.942	40	0		ICABRO
Cc1cc(=O)[nH]c(C2CC[NH+](C[C@]3(O)CN(S(=O)(=O)c4ccccc4)C[C@H]3O)CC2)n1	ZINC000585291483	557228981	/nfs/dbraw/zinc/22/89/81/557228981.db2.gz	QPPYAVGJUVDXLU-NQIIRXRSSA-N	1	0	448.545	0.467	40	0		ICABRO
O=S(=O)(c1ccccc1)N1C[C@@H](O)[C@](O)(C[NH2+]CC2(O)C3CC4CC(C3)CC2C4)C1	ZINC000585291806	557229269	/nfs/dbraw/zinc/22/92/69/557229269.db2.gz	SVGRRXJRDNGGNI-WHWQQJPXSA-N	1	0	436.574	0.560	40	0		ICABRO
Cc1nccc(C2(C)CC[NH+](C[C@]3(O)CN(S(=O)(=O)c4ccccc4)C[C@H]3O)CC2)n1	ZINC000585291877	557227932	/nfs/dbraw/zinc/22/79/32/557227932.db2.gz	USIQTJVWRCWBAG-IRLDBZIGSA-N	1	0	446.573	0.935	40	0		ICABRO
Cc1noc(C2(C)CC[NH+](C[C@]3(O)CN(S(=O)(=O)c4ccccc4)C[C@H]3O)CC2)n1	ZINC000585291942	557230070	/nfs/dbraw/zinc/23/00/70/557230070.db2.gz	VWGXWYRMBUZFAE-XLIONFOSSA-N	1	0	436.534	0.528	40	0		ICABRO
CC(C)C[C@@H]([NH3+])C(=O)N1CCC2(CC1)C[C@@](C)(O)[C@H](n1cnc3c1nc(N)nc3N)CO2	ZINC000585291953	569585100	/nfs/dbraw/zinc/58/51/00/569585100.db2.gz	UDDVGSBOXNZDPA-ARGWCVDVSA-N	1	0	446.556	0.438	40	0		ICABRO
CCC[C@@H]([NH3+])C(=O)N1CCC2(CC1)C[C@@](C)(O)[C@H](n1cnc3c1nc(N)nc3N)CO2	ZINC000585292024	569585110	/nfs/dbraw/zinc/58/51/10/569585110.db2.gz	VNCLNQWYYAEKHZ-VLXJIEOASA-N	1	0	432.529	0.192	40	0		ICABRO
CC(C)C[C@H]([NH3+])C(=O)N1CCC2(CC1)C[C@@](C)(O)[C@H](n1cnc3c1ncnc3N)CO2	ZINC000585292321	557230346	/nfs/dbraw/zinc/23/03/46/557230346.db2.gz	ZZKJUQDZHSTQFY-BXTJHSDWSA-N	1	0	431.541	0.856	40	0		ICABRO
COc1ccc(CNC(=O)C[C@@H]2C[C@H]3O[C@H](C[NH2+]C4CCN(C)CC4)[C@@H](O)[C@H]3O2)cc1	ZINC000604381519	557236488	/nfs/dbraw/zinc/23/64/88/557236488.db2.gz	HFQVITORXYDXOS-XCWFNORRSA-N	1	0	433.549	0.671	40	0	biogenic,in-vitro	ICABRO
CC(=O)N1CCC([NH2+]C[C@H]2O[C@@H]3C[C@@H](CC(=O)NCc4ccc(F)cc4)O[C@@H]3[C@@H]2O)CC1	ZINC000604381847	557236454	/nfs/dbraw/zinc/23/64/54/557236454.db2.gz	RLOCHPAJAVYMCH-XCWFNORRSA-N	1	0	449.523	0.718	40	0	biogenic,in-vitro	ICABRO
COc1cccc(-c2ccc3c(c2)O[C@H]2C[NH2+]C[C@H]2N(C)C[C@@H](O)CNS3(=O)=O)c1	ZINC001534612819	1071431884	/nfs/dbraw/zinc/43/18/84/1071431884.db2.gz	LGPJRHXXXBXBLX-HQRMLTQVSA-N	1	0	433.530	0.666	40	0		ICABRO
CCC[N@H+]1C[C@@H]2[C@H](C1)Oc1cc(-c3cnn(C)c3)ccc1S(=O)(=O)NC[C@H](O)CN2C	ZINC001534613880	1071432893	/nfs/dbraw/zinc/43/28/93/1071432893.db2.gz	ZTTIAPJAPYCRTP-NSHGMRRFSA-N	1	0	449.577	0.513	40	0		ICABRO
COc1ccc(CN2[C@@H]3C[N@@H+](C4CCN(C(C)=O)CC4)C[C@@H]3OCCS2(=O)=O)cc1	ZINC001534645843	1071433746	/nfs/dbraw/zinc/43/37/46/1071433746.db2.gz	KJCGOGZKIPCTPC-RTWAWAEBSA-N	1	0	437.562	0.921	40	0		ICABRO
CN1CCc2c(Br)c3c(c(OCC(=O)NCC[NH+](C)C)c2C1=O)OCO3	ZINC001547138645	1072255969	/nfs/dbraw/zinc/25/59/69/1072255969.db2.gz	DQPJZIZBAFEGSL-UHFFFAOYSA-N	1	0	428.283	0.863	40	0		ICABRO
O=C1NC2(CC[NH+](CC3CC3)CC2)CCOc2ccccc2S(=O)(=O)N2C[C@H](O)C[C@@H]12	ZINC001548889494	1072461409	/nfs/dbraw/zinc/46/14/09/1072461409.db2.gz	HCLZMHHQFZQVTC-MSOLQXFVSA-N	1	0	449.573	0.954	40	0		ICABRO
CC(C)c1ccc2c(c1)OCCC1(CC[NH2+]CC1)NC(=O)[C@@H]1C[C@@H](O)CN1S2(=O)=O	ZINC001548889529	1072461366	/nfs/dbraw/zinc/46/13/66/1072461366.db2.gz	HGVJXINMSSDMNW-SJORKVTESA-N	1	0	437.562	0.955	40	0		ICABRO
CCC[NH+]1CCC2(CC1)CCOc1ccccc1S(=O)(=O)N1C[C@H](O)C[C@H]1C(=O)N2	ZINC001548891011	1072461330	/nfs/dbraw/zinc/46/13/30/1072461330.db2.gz	VQSZVXTZMJFQQI-SJORKVTESA-N	1	0	437.562	0.954	40	0		ICABRO
O[C@H]1CO[C@H](Cn2cc(CN3CCOCC3)nn2)[C@@H]1[NH2+]Cc1ccc(Cl)c(F)c1	ZINC001549162424	1072461943	/nfs/dbraw/zinc/46/19/43/1072461943.db2.gz	UXHZNNSLBDSNFW-IPMKNSEASA-N	1	0	425.892	0.821	40	0		ICABRO
O=c1ccc2ncc(=O)n3c2n1CC3CN1CCC([NH2+]Cc2cc3c(cn2)OCCC3)CC1	ZINC001560404569	1073292057	/nfs/dbraw/zinc/29/20/57/1073292057.db2.gz	FWELZUAQPPESDB-UHFFFAOYSA-N	1	0	447.519	0.926	40	0		ICABRO