smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1nc(CO[C@@H]2CN(c3cc(OC4CC[NH+](C)CC4)cc[nH+]3)[C@H]3CCCO[C@@H]23)cs1	ZINC001164821775	720393076	/nfs/dbraw/zinc/39/30/76/720393076.db2.gz	IMKQLUQPAIDVJQ-QZNHQXDQSA-N	2	0	444.601	3.273	20	0		IGADRP
CCOC(=O)c1c[nH]c2cc(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)[nH+]cc21	ZINC001164840826	720592177	/nfs/dbraw/zinc/59/21/77/720592177.db2.gz	QYECULDINBRLIV-JBYIUTFZSA-N	2	0	436.560	3.314	20	0		IGADRP
Cc1nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)cc(N(C)C)[nH+]1	ZINC001164755897	720874438	/nfs/dbraw/zinc/87/44/38/720874438.db2.gz	ZSPCCOGSXQLGMT-RCZVLFRGSA-N	2	0	436.604	3.001	20	0		IGADRP
COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(Cl)nc3c1CC[NH2+]C3)CC2	ZINC001164789318	721464403	/nfs/dbraw/zinc/46/44/03/721464403.db2.gz	WWPTYPBSRPMGAD-LJQANCHMSA-N	2	0	449.039	3.115	20	0		IGADRP
CC[NH+](CC)C1CCN(c2nccc(NC(=O)C(C)(C)C)c2C[N@@H+]2CC[C@H](CO)C2)CC1	ZINC001165054126	722004721	/nfs/dbraw/zinc/00/47/21/722004721.db2.gz	ZYBPLKFNLIDCHE-IBGZPJMESA-N	2	0	445.652	3.191	20	0		IGADRP
COc1cc2cc[nH+]c(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2cc1OC	ZINC001164980563	722122803	/nfs/dbraw/zinc/12/28/03/722122803.db2.gz	RVMYKNUHCLZGSO-RDPSFJRHSA-N	2	0	434.540	3.374	20	0		IGADRP
CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)nc1	ZINC001165004488	722257589	/nfs/dbraw/zinc/25/75/89/722257589.db2.gz	SMBGHYYNDASCFG-QFIPXVFZSA-N	2	0	426.609	3.314	20	0		IGADRP
CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(c1ccc([C@@H]3CCCC[N@@H+]3CC)cn1)C2	ZINC001164432329	718970847	/nfs/dbraw/zinc/97/08/47/718970847.db2.gz	GICDXCGQQHIUHO-IOMROCGXSA-N	2	0	440.510	3.150	20	0		IGADRP
CC(C)[N@H+]1[C@@H]2CCN(c3nc(Cl)cc(C4CC[NH2+]CC4)n3)C[C@@H]2C[C@H]1Cn1cccn1	ZINC001164832805	720524589	/nfs/dbraw/zinc/52/45/89/720524589.db2.gz	BLALPCQGKDCGKM-IRFCIJBXSA-N	2	0	444.027	3.171	20	0		IGADRP
CCOC(=O)c1c[nH]c2cc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)[nH+]cc21	ZINC001164840830	720593976	/nfs/dbraw/zinc/59/39/76/720593976.db2.gz	QYECULDINBRLIV-NJNPRVFISA-N	2	0	436.560	3.314	20	0		IGADRP
c1nc2n(c1-c1cccnc1)CCN(c1ncccc1C[NH+]1CCCC1)C21CC[NH2+]CC1	ZINC001164843039	720743520	/nfs/dbraw/zinc/74/35/20/720743520.db2.gz	HJUJDNZBPOABIK-UHFFFAOYSA-N	2	0	429.572	3.035	20	0		IGADRP
C[NH+]1CCC(Oc2cc[nH+]c(N3CCC[C@@]4(C[C@H](OCc5ccccn5)CO4)C3)c2)CC1	ZINC001164761473	721032090	/nfs/dbraw/zinc/03/20/90/721032090.db2.gz	GFHXQBYCYKVQON-UKILVPOCSA-N	2	0	438.572	3.294	20	0		IGADRP
Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(N4CCCC4)cc[nH+]3)C2)C1	ZINC001164780060	721358768	/nfs/dbraw/zinc/35/87/68/721358768.db2.gz	CUMJQIVQNGKQKY-DEOSSOPVSA-N	2	0	425.577	3.406	20	0		IGADRP
COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(N3CCCC3)cc(C)[nH+]1)CC2	ZINC001164790336	721447971	/nfs/dbraw/zinc/44/79/71/721447971.db2.gz	YJWFMXVYFMOEGQ-JOCHJYFZSA-N	2	0	443.636	3.119	20	0		IGADRP
CCc1cc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)nc(N2CCOCC2)[nH+]1	ZINC001165025350	721817814	/nfs/dbraw/zinc/81/78/14/721817814.db2.gz	MRYDJIVJBJAURT-WWPVKYPJSA-N	2	0	436.604	3.008	20	0		IGADRP
CCOC(=O)c1c[nH]c2cc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)[nH+]cc21	ZINC001164961485	722059500	/nfs/dbraw/zinc/05/95/00/722059500.db2.gz	KTDVWGJSWOBYER-UHFFFAOYSA-N	2	0	449.555	3.254	20	0		IGADRP
CN(C)C(=O)N[C@H]1c2ccccc2[C@H]2CN(c3cc(OC4CC[NH+](C)CC4)cc[nH+]3)C[C@@H]12	ZINC001164985727	722098214	/nfs/dbraw/zinc/09/82/14/722098214.db2.gz	WJPWRAKKTDXXMB-AKFKNWHVSA-N	2	0	435.572	3.101	20	0		IGADRP
Cc1nc(C[N@@H+]2CCCC23CCN(c2ccc(OCC4CC[NH2+]CC4)nn2)CC3)cs1	ZINC001164692626	719815946	/nfs/dbraw/zinc/81/59/46/719815946.db2.gz	PODMPTXRUDGOFK-UHFFFAOYSA-N	2	0	442.633	3.255	20	0		IGADRP
CC(C)[N@H+]1[C@@H]2CCN(c3nc(Cl)cc(C4CC[NH2+]CC4)n3)C[C@H]2C[C@H]1Cn1cccn1	ZINC001164832808	720524535	/nfs/dbraw/zinc/52/45/35/720524535.db2.gz	BLALPCQGKDCGKM-SVFBPWRDSA-N	2	0	444.027	3.171	20	0		IGADRP
C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(F)(F)c2cnc(Cl)c(C3=CC[NH2+]CC3)c2)C1	ZINC001164735982	720535520	/nfs/dbraw/zinc/53/55/20/720535520.db2.gz	SYSVBYXKVYDJQW-OAHLLOKOSA-N	2	0	436.938	3.051	20	0		IGADRP
C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@@H]4O[C@H](COCc5ccccn5)CC[C@@H]43)c2)CC1	ZINC001164846185	720779338	/nfs/dbraw/zinc/77/93/38/720779338.db2.gz	IDZPUTQDVDKQQK-HJOGWXRNSA-N	2	0	438.572	3.293	20	0		IGADRP
C[NH+]1CCC(Oc2cc[nH+]c(N3CCC4(C3)CCN(C(=O)c3cccnc3)CC4)c2)CC1	ZINC001164855079	720894963	/nfs/dbraw/zinc/89/49/63/720894963.db2.gz	AFTQMYMTONEFOJ-UHFFFAOYSA-N	2	0	435.572	3.082	20	0		IGADRP
CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)nc1	ZINC001164892385	721446152	/nfs/dbraw/zinc/44/61/52/721446152.db2.gz	IKQGDOOJCGWGIE-MZKUHISZSA-N	2	0	441.664	3.394	20	0		IGADRP
CN1Cc2ccccc2CC2(CCN(c3cc(OC4CC[NH+](C)CC4)cc[nH+]3)CC2)C1=O	ZINC001164891638	721474093	/nfs/dbraw/zinc/47/40/93/721474093.db2.gz	DJSRTHQLTHCKDS-UHFFFAOYSA-N	2	0	434.584	3.356	20	0		IGADRP
Fc1cccc(O[C@H]2C[C@H]3CN(c4cccc(OCC[NH+]5CCCC5)n4)CC[N@@H+]3C2)c1	ZINC001164902639	721548331	/nfs/dbraw/zinc/54/83/31/721548331.db2.gz	ASGCJSUVCMDIOG-UNMCSNQZSA-N	2	0	426.536	3.037	20	0		IGADRP
COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cc(Cl)nc3c2CC[NH2+]C3)CC1	ZINC001165020242	721843138	/nfs/dbraw/zinc/84/31/38/721843138.db2.gz	ARSWNEATVMRBLJ-UHFFFAOYSA-N	2	0	430.980	3.499	20	0		IGADRP
O=C1OC2(CC[NH+](Cc3ccccc3)CC2)c2cnc(Cl)c(N3CC[C@H]4[NH2+]CC[C@@H]43)c21	ZINC001164410565	718875247	/nfs/dbraw/zinc/87/52/47/718875247.db2.gz	DCNNJKDOURDJGV-MOPGFXCFSA-N	2	0	438.959	3.337	20	0		IGADRP
COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(N3CCCC3)cc(C)[nH+]1)CC2	ZINC001164712718	720092412	/nfs/dbraw/zinc/09/24/12/720092412.db2.gz	YMXYFSJTJVLDKN-JOCHJYFZSA-N	2	0	436.604	3.288	20	0		IGADRP
Cc1nc(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2cc(OC3CC[NH+](C)CC3)cc[nH+]2)cs1	ZINC001164815137	720259700	/nfs/dbraw/zinc/25/97/00/720259700.db2.gz	BBIVACZEUAHEJV-NHCUHLMSSA-N	2	0	441.601	3.089	20	0		IGADRP
COc1cc2cc[nH+]c(N3CC[C@@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2cc1OC	ZINC001164831924	720321424	/nfs/dbraw/zinc/32/14/24/720321424.db2.gz	SEBZQSXAPXPRRI-NHCUHLMSSA-N	2	0	438.572	3.164	20	0		IGADRP
Cc1nc(CO[C@@H]2CN(c3cc(OC4CC[NH+](C)CC4)cc[nH+]3)[C@@H]3CCCO[C@H]23)cs1	ZINC001164821779	720392615	/nfs/dbraw/zinc/39/26/15/720392615.db2.gz	IMKQLUQPAIDVJQ-XPNTWCBSSA-N	2	0	444.601	3.273	20	0		IGADRP
c1nc2n(c1C[NH+]1CCCC1)CCN(c1ccc3c(n1)CC[N@@H+](Cc1ccccc1)C3)CC2	ZINC001164732630	720557930	/nfs/dbraw/zinc/55/79/30/720557930.db2.gz	AWBHAQOKZKULRX-UHFFFAOYSA-N	2	0	442.611	3.495	20	0		IGADRP
CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cc(OC4CC[NH+](C)CC4)ccn3)CC[C@@H]21	ZINC001164836001	720635444	/nfs/dbraw/zinc/63/54/44/720635444.db2.gz	DUZWKHZKTITARS-HFMPRLQTSA-N	2	0	438.620	3.129	20	0		IGADRP
C[N@H+](Cc1ccc(N2CCn3c(-c4cccnc4)cnc3C23CC[NH2+]CC3)nc1)C1CC1	ZINC001164844778	720743915	/nfs/dbraw/zinc/74/39/15/720743915.db2.gz	UBVJTLOFISSJJX-UHFFFAOYSA-N	2	0	429.572	3.033	20	0		IGADRP
C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@@H]4O[C@H](COCc5ccccn5)CC[C@H]43)c2)CC1	ZINC001164846191	720779591	/nfs/dbraw/zinc/77/95/91/720779591.db2.gz	IDZPUTQDVDKQQK-VXNXHJTFSA-N	2	0	438.572	3.293	20	0		IGADRP
Cc1ccc(C[NH+]2CCC3(CCN(c4ncccc4C(=O)N4CC[NH2+]CC4)CC3)CC2)cc1	ZINC001164759457	721044902	/nfs/dbraw/zinc/04/49/02/721044902.db2.gz	MOTCPWIISRZOFI-UHFFFAOYSA-N	2	0	447.627	3.318	20	0		IGADRP
COc1cc2cc[nH+]c(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2cc1OC	ZINC001164980561	722121978	/nfs/dbraw/zinc/12/19/78/722121978.db2.gz	RVMYKNUHCLZGSO-HYBUGGRVSA-N	2	0	434.540	3.374	20	0		IGADRP
CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(c1ccc([C@H]3CCCC[N@@H+]3CC)cn1)C2	ZINC001164432330	718970871	/nfs/dbraw/zinc/97/08/71/718970871.db2.gz	GICDXCGQQHIUHO-UIFIKXQLSA-N	2	0	440.510	3.150	20	0		IGADRP
C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc(Cl)nc3c1CC[NH2+]C3)CC2	ZINC001164840964	720669733	/nfs/dbraw/zinc/66/97/33/720669733.db2.gz	OJGMGNZGFSSPQX-GOSISDBHSA-N	2	0	427.980	3.036	20	0		IGADRP
c1cn(Cc2ccccc2)c2cc[nH+]c(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)c12	ZINC001164739264	720717210	/nfs/dbraw/zinc/71/72/10/720717210.db2.gz	MRCNMCPBPANZAS-NHCUHLMSSA-N	2	0	426.524	3.217	20	0		IGADRP
C[NH+]1CCC(Oc2cc[nH+]c(N3CCC4(CCN(C(=O)c5cscn5)C4)CC3)c2)CC1	ZINC001164873954	721329795	/nfs/dbraw/zinc/32/97/95/721329795.db2.gz	DXYWTHKAHVXZHY-UHFFFAOYSA-N	2	0	441.601	3.144	20	0		IGADRP
Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ncccc3C[NH+]3CCCC3)C2)C1	ZINC001164784600	721374466	/nfs/dbraw/zinc/37/44/66/721374466.db2.gz	QRWVDBGLQJSIAN-RUZDIDTESA-N	2	0	439.604	3.401	20	0		IGADRP
COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(C[NH+]3CCCC3)cn1)CC2	ZINC001164791322	721466966	/nfs/dbraw/zinc/46/69/66/721466966.db2.gz	WZJAZQSMCPUHHA-DEOSSOPVSA-N	2	0	442.648	3.411	20	0		IGADRP
COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(-n3ccnc3)cc[nH+]1)CC2	ZINC001164790626	721470113	/nfs/dbraw/zinc/47/01/13/721470113.db2.gz	SOOKOHTUMYFADG-QFIPXVFZSA-N	2	0	425.577	3.001	20	0		IGADRP
COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncccc1C[NH+]1CCCC1)CC2	ZINC001164787968	721473440	/nfs/dbraw/zinc/47/34/40/721473440.db2.gz	HDKSMNXBOKGOQD-DEOSSOPVSA-N	2	0	442.648	3.411	20	0		IGADRP
CC(=O)N1CC[C@@]2(c3ccccc3)CCN(c3cc(OC4CC[NH+](C)CC4)cc[nH+]3)C[C@H]12	ZINC001164947132	721967946	/nfs/dbraw/zinc/96/79/46/721967946.db2.gz	PQFUPJKKANZAGI-AZGAKELHSA-N	2	0	434.584	3.324	20	0		IGADRP
O=C1OC2(CC[NH+](Cc3ccccc3)CC2)c2cnc(Cl)c(N3CCC[C@@H]4[NH2+]C[C@@H]43)c21	ZINC001164450472	718998701	/nfs/dbraw/zinc/99/87/01/718998701.db2.gz	WRYHZQWATISJTJ-OALUTQOASA-N	2	0	438.959	3.337	20	0		IGADRP
C[N@H+](Cc1ccc(N([C@@H]2CCC23CC[NH2+]CC3)S(=O)(=O)c2ccccc2)nc1)C1CC1	ZINC001164688801	719591971	/nfs/dbraw/zinc/59/19/71/719591971.db2.gz	ZZBMLHKRMZTKCM-JOCHJYFZSA-N	2	0	440.613	3.403	20	0		IGADRP
Cc1nc(C[N@@H+]2CCCC23CCN(c2cccc(N4CCC([NH3+])CC4)[nH+]2)CC3)cs1	ZINC001164692928	719812823	/nfs/dbraw/zinc/81/28/23/719812823.db2.gz	SGIAYIVIGQHOTO-UHFFFAOYSA-N	3	0	426.634	3.409	20	0		IGADRP
C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cccc(N3CC[NH+](C)CC3)n1)CC2	ZINC001164842035	720698878	/nfs/dbraw/zinc/69/88/78/720698878.db2.gz	LFRMUJFHFLUBLB-HSZRJFAPSA-N	2	0	435.616	3.093	20	0		IGADRP
Cc1cccc(CN2CC[C@]3(CCN(c4cc(OC5CC[NH+](C)CC5)cc[nH+]4)C3)C2=O)c1	ZINC001164852397	720808672	/nfs/dbraw/zinc/80/86/72/720808672.db2.gz	NLNMPBOZIHLJPI-AREMUKBSSA-N	2	0	434.584	3.492	20	0		IGADRP
Fc1cccc(O[C@@H]2C[C@H]3CN(c4cccc(OCC[NH+]5CCCC5)n4)CC[N@@H+]3C2)c1	ZINC001164902637	721548438	/nfs/dbraw/zinc/54/84/38/721548438.db2.gz	ASGCJSUVCMDIOG-RBBKRZOGSA-N	2	0	426.536	3.037	20	0		IGADRP
C[NH+]1CCC(Oc2cc[nH+]c(N3CCO[C@@H]4[C@@H](COCc5nccs5)CC[C@@H]43)c2)CC1	ZINC001164918640	721811508	/nfs/dbraw/zinc/81/15/08/721811508.db2.gz	SKQLEPVJXVRSSB-DHJUGAMNSA-N	2	0	444.601	3.212	20	0		IGADRP
O=S(=O)(c1ccccc1)N(c1ccc(C[NH+]2CCCC2)cn1)[C@H]1CCC12CC[NH2+]CC2	ZINC001164688536	719592361	/nfs/dbraw/zinc/59/23/61/719592361.db2.gz	XJNOWYHJDWSKAO-QFIPXVFZSA-N	2	0	440.613	3.405	20	0		IGADRP
C[NH+]1CCC(Oc2cc[nH+]c(N3CCC[C@]4(C[C@H](OCc5ccccn5)CO4)C3)c2)CC1	ZINC001164761477	721032025	/nfs/dbraw/zinc/03/20/25/721032025.db2.gz	GFHXQBYCYKVQON-ZCYQVOJMSA-N	2	0	438.572	3.294	20	0		IGADRP
COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(N3CCCC3)[nH+]c(C)n1)CC2	ZINC001164786910	721452191	/nfs/dbraw/zinc/45/21/91/721452191.db2.gz	OQGHFRPSBKGVED-QFIPXVFZSA-N	2	0	443.636	3.119	20	0		IGADRP
C[NH+]1CCC(Oc2cc[nH+]c(N3CCC4(CC[C@@H](C(=O)NCC5CC5)C4)CC3)c2)CC1	ZINC001164975236	722091856	/nfs/dbraw/zinc/09/18/56/722091856.db2.gz	DZFSNSZUQMXGIQ-HXUWFJFHSA-N	2	0	426.605	3.468	20	0		IGADRP
COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(Cl)nc3c1CC[NH2+]C3)CC2	ZINC001164711737	720136688	/nfs/dbraw/zinc/13/66/88/720136688.db2.gz	JBWXISOBMJFTNW-LJQANCHMSA-N	2	0	442.007	3.283	20	0		IGADRP
Cc1nc(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2cc(OC3CC[NH+](C)CC3)cc[nH+]2)cs1	ZINC001164815139	720259823	/nfs/dbraw/zinc/25/98/23/720259823.db2.gz	BBIVACZEUAHEJV-SFTDATJTSA-N	2	0	441.601	3.089	20	0		IGADRP
C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cccc(N3CCC([NH3+])CC3)[nH+]1)CC2	ZINC001164842829	720706831	/nfs/dbraw/zinc/70/68/31/720706831.db2.gz	ZBZJLQOXSDXJLT-HSZRJFAPSA-N	3	0	435.616	3.269	20	0		IGADRP
Cc1cccc(CN2CC[C@@]3(CCN(c4cc(OC5CC[NH+](C)CC5)cc[nH+]4)C3)C2=O)c1	ZINC001164852398	720808380	/nfs/dbraw/zinc/80/83/80/720808380.db2.gz	NLNMPBOZIHLJPI-SANMLTNESA-N	2	0	434.584	3.492	20	0		IGADRP
c1cn(-c2cc[nH+]c(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2)cn1	ZINC001164750514	720926041	/nfs/dbraw/zinc/92/60/41/720926041.db2.gz	JSXHNHBSJUBZPE-ZEQKJWHPSA-N	2	0	444.583	3.417	20	0		IGADRP
Fc1cccc(O[C@H]2C[C@H]3CN(c4nc(Cl)cc(C5CC[NH2+]CC5)n4)CC[N@@H+]3C2)c1	ZINC001164900356	721524784	/nfs/dbraw/zinc/52/47/84/721524784.db2.gz	QYDWTBMVOUJLTK-HKUYNNGSSA-N	2	0	431.943	3.078	20	0		IGADRP
CN(C)C(=O)N[C@@H]1c2ccccc2[C@H]2CN(c3cc(OC4CC[NH+](C)CC4)cc[nH+]3)C[C@H]21	ZINC001164985734	722098198	/nfs/dbraw/zinc/09/81/98/722098198.db2.gz	WJPWRAKKTDXXMB-CQOQZXRMSA-N	2	0	435.572	3.101	20	0		IGADRP
O=C1OC2(CC[NH+](Cc3ccccc3)CC2)c2cnc(Cl)c(N3CC[C@@H]4[NH2+]CC[C@H]43)c21	ZINC001164410567	718875406	/nfs/dbraw/zinc/87/54/06/718875406.db2.gz	DCNNJKDOURDJGV-RBUKOAKNSA-N	2	0	438.959	3.337	20	0		IGADRP
C[NH+]1CCN(c2cccc(N(c3cccc(F)c3)[C@H]3CO[C@]4(C3)CCC[NH2+]C4)n2)CC1	ZINC001164646335	719297133	/nfs/dbraw/zinc/29/71/33/719297133.db2.gz	AJTMALHGVZLCFJ-QPPBQGQZSA-N	2	0	425.552	3.022	20	0		IGADRP
C[NH+]1CCN(c2cccc(N(c3cccc(F)c3)[C@H]3CO[C@@]4(C3)CCC[NH2+]C4)n2)CC1	ZINC001164646338	719297137	/nfs/dbraw/zinc/29/71/37/719297137.db2.gz	AJTMALHGVZLCFJ-ZJSXRUAMSA-N	2	0	425.552	3.022	20	0		IGADRP
C[NH+]1CCC(Oc2cc[nH+]c(N3CCO[C@]4(CCC[C@@H]4COc4ccccn4)C3)c2)CC1	ZINC001164734301	720541920	/nfs/dbraw/zinc/54/19/20/720541920.db2.gz	HSYIAHKMKHVPTN-CJFMBICVSA-N	2	0	438.572	3.404	20	0		IGADRP
CC(C)[N@H+]1[C@@H]2CCN(c3cc(OC4CC[NH+](C)CC4)ccn3)C[C@H]2C[C@H]1Cn1cccn1	ZINC001164836002	720635738	/nfs/dbraw/zinc/63/57/38/720635738.db2.gz	DUZWKHZKTITARS-ZFGGDYGUSA-N	2	0	438.620	3.129	20	0		IGADRP
CCC[N@@H+]1CCCC[C@@H]1c1ccc(-n2nc(C(=O)N3CCC[C@H]3C)c3c2CC[NH2+]C3)nc1	ZINC001164848015	720806460	/nfs/dbraw/zinc/80/64/60/720806460.db2.gz	BMSGRJARCMMUFF-WIYYLYMNSA-N	2	0	436.604	3.475	20	0		IGADRP
Cc1noc(C)c1C[NH+]1CCOC[C@@]2(CCCN(c3ccc(C[N@@H+](C)C4CC4)cn3)C2)C1	ZINC001164780762	721368463	/nfs/dbraw/zinc/36/84/63/721368463.db2.gz	HELOBKDNAWLPMP-VWLOTQADSA-N	2	0	439.604	3.400	20	0		IGADRP
C[NH+]1CCC(Oc2ccnc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)c2)CC1	ZINC001164907244	721563467	/nfs/dbraw/zinc/56/34/67/721563467.db2.gz	NAQTXXZHAJKHKS-CVDCTZTESA-N	2	0	426.536	3.036	20	0		IGADRP
CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)CC1	ZINC001165011935	721734582	/nfs/dbraw/zinc/73/45/82/721734582.db2.gz	YEABFMHLEJSIQZ-UHFFFAOYSA-N	2	0	447.627	3.163	20	0		IGADRP
C[NH+]1CCC(Oc2cc[nH+]c(N3CCCn4cnc(COc5cccnc5)c4C3)c2)CC1	ZINC001164953491	721998361	/nfs/dbraw/zinc/99/83/61/721998361.db2.gz	XZZRMCUSMPPGEV-UHFFFAOYSA-N	2	0	434.544	3.135	20	0		IGADRP
CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(c1ccc([C@H]3CCCC[N@@H+]3CC)cn1)C2	ZINC001164432328	718971202	/nfs/dbraw/zinc/97/12/02/718971202.db2.gz	GICDXCGQQHIUHO-DUXKGJEZSA-N	2	0	440.510	3.150	20	0		IGADRP
CN(C)c1cc[nH+]c(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c1	ZINC001164686867	719667986	/nfs/dbraw/zinc/66/79/86/719667986.db2.gz	YOALZIJYMZPBMS-HXUWFJFHSA-N	2	0	435.616	3.241	20	0		IGADRP
CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(Cl)cc(C4CC[NH2+]CC4)n3)CC[C@@H]21	ZINC001164832810	720524968	/nfs/dbraw/zinc/52/49/68/720524968.db2.gz	BLALPCQGKDCGKM-ZJOUEHCJSA-N	2	0	444.027	3.171	20	0		IGADRP
c1nc2n(c1-c1cccnc1)CCN(c1ccc(C[NH+]3CCCC3)cn1)C21CC[NH2+]CC1	ZINC001164842424	720742765	/nfs/dbraw/zinc/74/27/65/720742765.db2.gz	DRHSPRLIXWLDHN-UHFFFAOYSA-N	2	0	429.572	3.035	20	0		IGADRP
O=C1OC2(CC[NH+](Cc3ccccc3)CC2)c2cnc(Cl)c(N3CC[C@@H]4[NH2+]CC[C@@H]43)c21	ZINC001164410566	718875304	/nfs/dbraw/zinc/87/53/04/718875304.db2.gz	DCNNJKDOURDJGV-OALUTQOASA-N	2	0	438.959	3.337	20	0		IGADRP
C[NH+]1CCN(c2cccc(N(c3cccc(F)c3)[C@@H]3CO[C@]4(C3)CCC[NH2+]C4)n2)CC1	ZINC001164646336	719297020	/nfs/dbraw/zinc/29/70/20/719297020.db2.gz	AJTMALHGVZLCFJ-URXFXBBRSA-N	2	0	425.552	3.022	20	0		IGADRP
CCOC[C@@H]1CN(c2cc(OC3CC[NH+](C)CC3)cc[nH+]2)Cc2nn(CC3CC3)cc21	ZINC001164663239	719364292	/nfs/dbraw/zinc/36/42/92/719364292.db2.gz	IHKGCQXWYPWFRA-IBGZPJMESA-N	2	0	425.577	3.301	20	0		IGADRP
COc1cc2cc[nH+]c(N3CC[C@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2cc1OC	ZINC001164831926	720321959	/nfs/dbraw/zinc/32/19/59/720321959.db2.gz	SEBZQSXAPXPRRI-SFTDATJTSA-N	2	0	438.572	3.164	20	0		IGADRP
CC(C)[N@H+]1[C@@H]2CCN(c3cc(OC4CC[NH+](C)CC4)ccn3)C[C@@H]2C[C@H]1Cn1cccn1	ZINC001164835999	720636897	/nfs/dbraw/zinc/63/68/97/720636897.db2.gz	DUZWKHZKTITARS-AWRGLXIESA-N	2	0	438.620	3.129	20	0		IGADRP
C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@@H]4O[C@@H](COCc5ccccn5)CC[C@H]43)c2)CC1	ZINC001164846189	720780055	/nfs/dbraw/zinc/78/00/55/720780055.db2.gz	IDZPUTQDVDKQQK-SMIHKQSGSA-N	2	0	438.572	3.293	20	0		IGADRP
C[NH+]1CCC(Oc2cc[nH+]c(N3CCC[C@@]4(C[C@@H](OCc5ccccn5)CO4)C3)c2)CC1	ZINC001164761465	721031681	/nfs/dbraw/zinc/03/16/81/721031681.db2.gz	GFHXQBYCYKVQON-ILBGXUMGSA-N	2	0	438.572	3.294	20	0		IGADRP
COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cccc(N3CCC([NH3+])CC3)[nH+]2)CC1	ZINC001165022734	721843086	/nfs/dbraw/zinc/84/30/86/721843086.db2.gz	SYUIQVSCNOFGSB-UHFFFAOYSA-N	3	0	439.604	3.127	20	0		IGADRP
O=C1OC2(CC[NH+](Cc3ccccc3)CC2)c2cnc(Cl)c(N3CCC[C@H]4[NH2+]C[C@H]43)c21	ZINC001164450474	718998810	/nfs/dbraw/zinc/99/88/10/718998810.db2.gz	WRYHZQWATISJTJ-RTBURBONSA-N	2	0	438.959	3.337	20	0		IGADRP
Cc1nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)cc(N(C)C)[nH+]1	ZINC001164755900	720874186	/nfs/dbraw/zinc/87/41/86/720874186.db2.gz	ZSPCCOGSXQLGMT-RDGATRHJSA-N	2	0	436.604	3.001	20	0		IGADRP
Fc1cccc(O[C@@H]2C[C@@H]3CN(c4cccc(OCC[NH+]5CCCC5)n4)CC[N@@H+]3C2)c1	ZINC001164902633	721548316	/nfs/dbraw/zinc/54/83/16/721548316.db2.gz	ASGCJSUVCMDIOG-IFMALSPDSA-N	2	0	426.536	3.037	20	0		IGADRP
FC1(F)CCN(c2nccc(C3CC[NH2+]CC3)n2)C[C@]12CC[N@H+](Cc1ccccn1)C2	ZINC001164908927	721716061	/nfs/dbraw/zinc/71/60/61/721716061.db2.gz	ZNRQRQOZDOUTCE-JOCHJYFZSA-N	2	0	428.531	3.076	20	0		IGADRP
FC1(F)CCN(c2nccc(C3CC[NH2+]CC3)n2)C[C@@]12CC[N@H+](Cc1ccccn1)C2	ZINC001164908929	721716396	/nfs/dbraw/zinc/71/63/96/721716396.db2.gz	ZNRQRQOZDOUTCE-QFIPXVFZSA-N	2	0	428.531	3.076	20	0		IGADRP
CC(C)CNC(=O)c1nc2c(s1)CCN(c1cc(OC3CC[NH+](C)CC3)cc[nH+]1)CC2	ZINC001164965268	722066979	/nfs/dbraw/zinc/06/69/79/722066979.db2.gz	HATCCPAAPXEHFK-UHFFFAOYSA-N	2	0	443.617	3.002	20	0		IGADRP
COc1cc2cc[nH+]c(N3CC[C@@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2cc1OC	ZINC001164831923	720321488	/nfs/dbraw/zinc/32/14/88/720321488.db2.gz	SEBZQSXAPXPRRI-LEWJYISDSA-N	2	0	438.572	3.164	20	0		IGADRP
Cc1nc(CO[C@@H]2CN(c3cc(OC4CC[NH+](C)CC4)cc[nH+]3)[C@@H]3CCCO[C@@H]23)cs1	ZINC001164821767	720392777	/nfs/dbraw/zinc/39/27/77/720392777.db2.gz	IMKQLUQPAIDVJQ-MQSCRBSSSA-N	2	0	444.601	3.273	20	0		IGADRP
CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc(OC4CC[NH+](C)CC4)ccn3)CC[C@@H]21	ZINC001164836000	720636233	/nfs/dbraw/zinc/63/62/33/720636233.db2.gz	DUZWKHZKTITARS-DPLHUUCSSA-N	2	0	438.620	3.129	20	0		IGADRP
c1cn(-c2cc[nH+]c(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2)cn1	ZINC001164750507	720926089	/nfs/dbraw/zinc/92/60/89/720926089.db2.gz	JSXHNHBSJUBZPE-OZXSUGGESA-N	2	0	444.583	3.417	20	0		IGADRP
CC[N@@H+]1CCCC[C@@H]1c1ccc(N(Cc2ncn3c2C[NH2+]CCC3)c2ncccn2)nc1	ZINC001165014437	721766553	/nfs/dbraw/zinc/76/65/53/721766553.db2.gz	GDEXEPGUXGUBRF-OAQYLSRUSA-N	2	0	432.576	3.447	20	0		IGADRP
C[NH+]1CCC(Oc2cc[nH+]c(N3CCC(F)(F)[C@]4(CCN(c5cnccn5)C4)C3)c2)CC1	ZINC001164915338	721802992	/nfs/dbraw/zinc/80/29/92/721802992.db2.gz	ITPXBUGQXCPYQG-JOCHJYFZSA-N	2	0	444.530	3.087	20	0		IGADRP
CCN(CC)C(=O)c1nc2c(s1)CCN(c1cc(OC3CC[NH+](C)CC3)cc[nH+]1)CC2	ZINC001164663000	719360010	/nfs/dbraw/zinc/36/00/10/719360010.db2.gz	BPIXILDQWWOPAO-UHFFFAOYSA-N	2	0	443.617	3.098	20	0		IGADRP
CCOC[C@H]1CN(c2cc(OC3CC[NH+](C)CC3)cc[nH+]2)Cc2nn(CC3CC3)cc21	ZINC001164663242	719364097	/nfs/dbraw/zinc/36/40/97/719364097.db2.gz	IHKGCQXWYPWFRA-LJQANCHMSA-N	2	0	425.577	3.301	20	0		IGADRP
CCC[N@@H+]1CCCC[C@H]1c1ccc(-n2nc(C(=O)N3CCC[C@@H]3C)c3c2CC[NH2+]C3)nc1	ZINC001164848013	720806286	/nfs/dbraw/zinc/80/62/86/720806286.db2.gz	BMSGRJARCMMUFF-RXVVDRJESA-N	2	0	436.604	3.475	20	0		IGADRP
c1cn(-c2cc[nH+]c(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2)cn1	ZINC001164750500	720926111	/nfs/dbraw/zinc/92/61/11/720926111.db2.gz	JSXHNHBSJUBZPE-JYFHCDHNSA-N	2	0	444.583	3.417	20	0		IGADRP
Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ccc5c(n4)CC[NH+](Cc4ccccc4)C5)C[C@H]3C2)cn1	ZINC001164769926	721105256	/nfs/dbraw/zinc/10/52/56/721105256.db2.gz	QHBLZCMZGCLGTG-UKILVPOCSA-N	2	0	442.611	3.332	20	0		IGADRP
Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ccc5c(n4)CC[NH+](Cc4ccccc4)C5)C[C@@H]3C2)cn1	ZINC001164769925	721105947	/nfs/dbraw/zinc/10/59/47/721105947.db2.gz	QHBLZCMZGCLGTG-NOZRDPDXSA-N	2	0	442.611	3.332	20	0		IGADRP
COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(Cl)nc3c1CC[NH2+]C3)CC2	ZINC001164789317	721464727	/nfs/dbraw/zinc/46/47/27/721464727.db2.gz	WWPTYPBSRPMGAD-IBGZPJMESA-N	2	0	449.039	3.115	20	0		IGADRP
FC1(F)CCN(c2cccc(N3CCOCC3)[nH+]2)C[C@@]12CC[N@H+](Cc1ccccn1)C2	ZINC001164905581	721717184	/nfs/dbraw/zinc/71/71/84/721717184.db2.gz	HUFBWCFAOKQMNV-QFIPXVFZSA-N	2	0	429.515	3.051	20	0		IGADRP
C[NH+]1CCC(Oc2cc[nH+]c(N3CCO[C@@H]4[C@@H](COCc5nccs5)CC[C@H]43)c2)CC1	ZINC001164918641	721811356	/nfs/dbraw/zinc/81/13/56/721811356.db2.gz	SKQLEPVJXVRSSB-HCLVMJGWSA-N	2	0	444.601	3.212	20	0		IGADRP
CCc1cc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)nc(N2CCOCC2)[nH+]1	ZINC001165025346	721818150	/nfs/dbraw/zinc/81/81/50/721818150.db2.gz	MRYDJIVJBJAURT-PMOQBDJRSA-N	2	0	436.604	3.008	20	0		IGADRP
C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@@H]4O[C@@H](COCc5ccccn5)CC[C@@H]43)c2)CC1	ZINC001164846187	720780240	/nfs/dbraw/zinc/78/02/40/720780240.db2.gz	IDZPUTQDVDKQQK-SGNDLWITSA-N	2	0	438.572	3.293	20	0		IGADRP
COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(-n3ccnc3)cc[nH+]1)CC2	ZINC001164790625	721470181	/nfs/dbraw/zinc/47/01/81/721470181.db2.gz	SOOKOHTUMYFADG-JOCHJYFZSA-N	2	0	425.577	3.001	20	0		IGADRP
CCc1cc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)nc(N2CCOCC2)[nH+]1	ZINC001165025348	721818083	/nfs/dbraw/zinc/81/80/83/721818083.db2.gz	MRYDJIVJBJAURT-VJBMBRPKSA-N	2	0	436.604	3.008	20	0		IGADRP
C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3cc(C[NH+](C)C)ccn3)CC2)c2ccccc21	ZINC001164680385	719680689	/nfs/dbraw/zinc/68/06/89/719680689.db2.gz	DKUOPYCZEXHZCW-JOCHJYFZSA-N	2	0	449.643	3.237	20	0		IGADRP
Cc1nc(CO[C@@H]2CN(c3cc(OC4CC[NH+](C)CC4)cc[nH+]3)[C@H]3CCCO[C@H]23)cs1	ZINC001164821777	720392580	/nfs/dbraw/zinc/39/25/80/720392580.db2.gz	IMKQLUQPAIDVJQ-XJUOHMSHSA-N	2	0	444.601	3.273	20	0		IGADRP
C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cccc(N3CCC([NH3+])CC3)[nH+]1)CC2	ZINC001164842831	720706324	/nfs/dbraw/zinc/70/63/24/720706324.db2.gz	ZBZJLQOXSDXJLT-QHCPKHFHSA-N	3	0	435.616	3.269	20	0		IGADRP
c1cn(Cc2ccccc2)c2cc[nH+]c(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)c12	ZINC001164739262	720715126	/nfs/dbraw/zinc/71/51/26/720715126.db2.gz	MRCNMCPBPANZAS-LEWJYISDSA-N	2	0	426.524	3.217	20	0		IGADRP
CCC[N@@H+]1CCCC[C@H]1c1ccc(-n2nc(C(=O)N3CCC[C@H]3C)c3c2CC[NH2+]C3)nc1	ZINC001164848011	720806309	/nfs/dbraw/zinc/80/63/09/720806309.db2.gz	BMSGRJARCMMUFF-NQIIRXRSSA-N	2	0	436.604	3.475	20	0		IGADRP
COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(N3CCCC3)[nH+]c(C)n1)CC2	ZINC001164710323	720098127	/nfs/dbraw/zinc/09/81/27/720098127.db2.gz	IQMUEZJYMIIOCZ-QFIPXVFZSA-N	2	0	436.604	3.288	20	0		IGADRP
COc1cc2cc[nH+]c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2cc1OC	ZINC001164745573	720832310	/nfs/dbraw/zinc/83/23/10/720832310.db2.gz	WVNJZCOGBKSZTQ-TUNNFDKTSA-N	2	0	448.571	3.223	20	0		IGADRP
CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)nc1	ZINC001164892381	721446407	/nfs/dbraw/zinc/44/64/07/721446407.db2.gz	IKQGDOOJCGWGIE-BFLUCZKCSA-N	2	0	441.664	3.394	20	0		IGADRP
CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)nc1	ZINC001164892384	721446678	/nfs/dbraw/zinc/44/66/78/721446678.db2.gz	IKQGDOOJCGWGIE-GSLIJJQTSA-N	2	0	441.664	3.394	20	0		IGADRP
Clc1cc(C2CC[NH2+]CC2)nc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)n1	ZINC001164952921	722015008	/nfs/dbraw/zinc/01/50/08/722015008.db2.gz	OYRBFYZIZOVXRB-UHFFFAOYSA-N	2	0	426.996	3.485	20	0		IGADRP
CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)nc1	ZINC001165004487	722257736	/nfs/dbraw/zinc/25/77/36/722257736.db2.gz	SMBGHYYNDASCFG-JOCHJYFZSA-N	2	0	426.609	3.314	20	0		IGADRP
C[N@H+](Cc1ccc(N([C@H]2CCC23CC[NH2+]CC3)S(=O)(=O)c2ccccc2)nc1)C1CC1	ZINC001164688802	719592224	/nfs/dbraw/zinc/59/22/24/719592224.db2.gz	ZZBMLHKRMZTKCM-QFIPXVFZSA-N	2	0	440.613	3.403	20	0		IGADRP
c1csc(C[N@@H+]2CCOC3(CCN(c4ccc(OCC5CC[NH2+]CC5)cn4)CC3)C2)c1	ZINC001164705935	719906993	/nfs/dbraw/zinc/90/69/93/719906993.db2.gz	GADUMLAAIOGGCL-UHFFFAOYSA-N	2	0	442.629	3.393	20	0		IGADRP
Cc1nc(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2cc(OC3CC[NH+](C)CC3)cc[nH+]2)cs1	ZINC001164815138	720259391	/nfs/dbraw/zinc/25/93/91/720259391.db2.gz	BBIVACZEUAHEJV-RTWAWAEBSA-N	2	0	441.601	3.089	20	0		IGADRP
COc1cc2cc[nH+]c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2cc1OC	ZINC001164745570	720831451	/nfs/dbraw/zinc/83/14/51/720831451.db2.gz	WVNJZCOGBKSZTQ-JAXLGGSGSA-N	2	0	448.571	3.223	20	0		IGADRP
Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3cc(N4CCCC4)cc[nH+]3)C2)C1	ZINC001164780067	721359064	/nfs/dbraw/zinc/35/90/64/721359064.db2.gz	CUMJQIVQNGKQKY-XMMPIXPASA-N	2	0	425.577	3.406	20	0		IGADRP
COc1cc2cc[nH+]c(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2cc1OC	ZINC001164980565	722122414	/nfs/dbraw/zinc/12/24/14/722122414.db2.gz	RVMYKNUHCLZGSO-YKSBVNFPSA-N	2	0	434.540	3.374	20	0		IGADRP
CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(c1ccc([C@@H]3CCCC[N@@H+]3CC)cn1)C2	ZINC001164432331	718971153	/nfs/dbraw/zinc/97/11/53/718971153.db2.gz	GICDXCGQQHIUHO-WMQCIHAUSA-N	2	0	440.510	3.150	20	0		IGADRP
CCOC(=O)c1c[nH]c2cc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)[nH+]cc21	ZINC001164840833	720593372	/nfs/dbraw/zinc/59/33/72/720593372.db2.gz	QYECULDINBRLIV-NPPFBWRTSA-N	2	0	436.560	3.314	20	0		IGADRP
CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ccc(OCC4CC[NH2+]CC4)cn3)CC[C@@H]21	ZINC001164843216	720644554	/nfs/dbraw/zinc/64/45/54/720644554.db2.gz	VLOWJIGCGKJVTC-FIXSFTCYSA-N	2	0	438.620	3.034	20	0		IGADRP
Cc1nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)cc(N(C)C)[nH+]1	ZINC001164755904	720874551	/nfs/dbraw/zinc/87/45/51/720874551.db2.gz	ZSPCCOGSXQLGMT-WIOPSUGQSA-N	2	0	436.604	3.001	20	0		IGADRP
Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ccc(C[NH+]4CCCC4)cn3)C2)C1	ZINC001164784918	721365423	/nfs/dbraw/zinc/36/54/23/721365423.db2.gz	RNUJGCGWLDJVFN-RUZDIDTESA-N	2	0	439.604	3.401	20	0		IGADRP
Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ncccc3C[NH+]3CCCC3)C2)C1	ZINC001164784601	721374871	/nfs/dbraw/zinc/37/48/71/721374871.db2.gz	QRWVDBGLQJSIAN-VWLOTQADSA-N	2	0	439.604	3.401	20	0		IGADRP
[NH3+]C1CCN(c2cccc(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)[nH+]2)CC1	ZINC001164906955	721718403	/nfs/dbraw/zinc/71/84/03/721718403.db2.gz	PCJCIIYWLAMDPX-HSZRJFAPSA-N	3	0	442.558	3.142	20	0		IGADRP
CN(C)C(=O)N[C@H]1c2ccccc2[C@H]2CN(c3cc(OC4CC[NH+](C)CC4)cc[nH+]3)C[C@H]12	ZINC001164985737	722098245	/nfs/dbraw/zinc/09/82/45/722098245.db2.gz	WJPWRAKKTDXXMB-GPXNEJASSA-N	2	0	435.572	3.101	20	0		IGADRP
O=C1OC2(CC[NH+](Cc3ccccc3)CC2)c2cnc(Cl)c(N3CCC[C@@H]4[NH2+]C[C@H]43)c21	ZINC001164450473	718998753	/nfs/dbraw/zinc/99/87/53/718998753.db2.gz	WRYHZQWATISJTJ-RBUKOAKNSA-N	2	0	438.959	3.337	20	0		IGADRP
CN(C)c1cc[nH+]c(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c1	ZINC001164686866	719667818	/nfs/dbraw/zinc/66/78/18/719667818.db2.gz	YOALZIJYMZPBMS-FQEVSTJZSA-N	2	0	435.616	3.241	20	0		IGADRP
CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(Cl)cc(C4CC[NH2+]CC4)n3)CC[C@@H]21	ZINC001164832803	720524931	/nfs/dbraw/zinc/52/49/31/720524931.db2.gz	BLALPCQGKDCGKM-DYXWJJEUSA-N	2	0	444.027	3.171	20	0		IGADRP
COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(N3CCCC3)[nH+]c(C)n1)CC2	ZINC001164786903	721452241	/nfs/dbraw/zinc/45/22/41/721452241.db2.gz	OQGHFRPSBKGVED-JOCHJYFZSA-N	2	0	443.636	3.119	20	0		IGADRP
CC[N@@H+]1CCCC[C@H]1c1ccc(N(Cc2ncn3c2C[NH2+]CCC3)c2ncccn2)nc1	ZINC001165014436	721766855	/nfs/dbraw/zinc/76/68/55/721766855.db2.gz	GDEXEPGUXGUBRF-NRFANRHFSA-N	2	0	432.576	3.447	20	0		IGADRP
C[NH+]1CCN(c2cccc(N(c3cccc(F)c3)[C@@H]3CO[C@@]4(C3)CCC[NH2+]C4)n2)CC1	ZINC001164646337	719297263	/nfs/dbraw/zinc/29/72/63/719297263.db2.gz	AJTMALHGVZLCFJ-XUZZJYLKSA-N	2	0	425.552	3.022	20	0		IGADRP
COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(Cl)nc3c1CC[NH2+]C3)CC2	ZINC001164711736	720137271	/nfs/dbraw/zinc/13/72/71/720137271.db2.gz	JBWXISOBMJFTNW-IBGZPJMESA-N	2	0	442.007	3.283	20	0		IGADRP
C[NH+]1CCC(Oc2ccnc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)c2)CC1	ZINC001164907243	721563294	/nfs/dbraw/zinc/56/32/94/721563294.db2.gz	NAQTXXZHAJKHKS-AUSIDOKSSA-N	2	0	426.536	3.036	20	0		IGADRP
C[NH+]1CCC(Oc2cc[nH+]c(N3CCC(F)(F)[C@@]4(CCN(c5cnccn5)C4)C3)c2)CC1	ZINC001164915340	721802931	/nfs/dbraw/zinc/80/29/31/721802931.db2.gz	ITPXBUGQXCPYQG-QFIPXVFZSA-N	2	0	444.530	3.087	20	0		IGADRP
COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(N3CCCC3)[nH+]c(C)n1)CC2	ZINC001164710321	720098039	/nfs/dbraw/zinc/09/80/39/720098039.db2.gz	IQMUEZJYMIIOCZ-JOCHJYFZSA-N	2	0	436.604	3.288	20	0		IGADRP
C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc(Cl)nc3c1CC[NH2+]C3)CC2	ZINC001164840966	720671431	/nfs/dbraw/zinc/67/14/31/720671431.db2.gz	OJGMGNZGFSSPQX-SFHVURJKSA-N	2	0	427.980	3.036	20	0		IGADRP
C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cccc(N3CC[NH+](C)CC3)n1)CC2	ZINC001164842038	720699110	/nfs/dbraw/zinc/69/91/10/720699110.db2.gz	LFRMUJFHFLUBLB-QHCPKHFHSA-N	2	0	435.616	3.093	20	0		IGADRP
c1cn(Cc2ccccc2)c2cc[nH+]c(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c12	ZINC001164739266	720716339	/nfs/dbraw/zinc/71/63/39/720716339.db2.gz	MRCNMCPBPANZAS-RTWAWAEBSA-N	2	0	426.524	3.217	20	0		IGADRP
COc1cc2cc[nH+]c(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2cc1OC	ZINC001164745571	720831976	/nfs/dbraw/zinc/83/19/76/720831976.db2.gz	WVNJZCOGBKSZTQ-KCZVDYSFSA-N	2	0	448.571	3.223	20	0		IGADRP
C[NH+]1CCC(Oc2ccnc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)c2)CC1	ZINC001164907246	721563532	/nfs/dbraw/zinc/56/35/32/721563532.db2.gz	NAQTXXZHAJKHKS-XXBNENTESA-N	2	0	426.536	3.036	20	0		IGADRP
[NH3+]C1CCN(c2cccc(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)[nH+]2)CC1	ZINC001164906964	721718585	/nfs/dbraw/zinc/71/85/85/721718585.db2.gz	PCJCIIYWLAMDPX-QHCPKHFHSA-N	3	0	442.558	3.142	20	0		IGADRP
CN(Cc1ccco1)Cc1cncc2c1CCN(c1cccc(N3CCC([NH3+])CC3)[nH+]1)C2	ZINC001164911866	721758756	/nfs/dbraw/zinc/75/87/56/721758756.db2.gz	ZWZXWIKJQZUPBM-UHFFFAOYSA-N	2	0	432.572	3.192	20	0		IGADRP
CC(=O)N1CC[C@@]2(c3ccccc3)CCN(c3cc(OC4CC[NH+](C)CC4)cc[nH+]3)C[C@@H]12	ZINC001164947131	721968010	/nfs/dbraw/zinc/96/80/10/721968010.db2.gz	PQFUPJKKANZAGI-AOYPEHQESA-N	2	0	434.584	3.324	20	0		IGADRP
[NH3+][C@]12C[C@H]1CCN(c1c3c(cnc1Cl)C1(CC[NH+](Cc4ccccc4)CC1)OC3=O)C2	ZINC001164418870	718896017	/nfs/dbraw/zinc/89/60/17/718896017.db2.gz	FUFRRIVGKKAGEK-HXOBKFHXSA-N	2	0	438.959	3.324	20	0		IGADRP
C[NH+](C)Cc1ccnc(N(Cc2cccnc2)c2ccc3nc(C4CC[NH2+]CC4)nn3c2)c1	ZINC001164634537	719138865	/nfs/dbraw/zinc/13/88/65/719138865.db2.gz	VNEJXHFRDKKQEX-UHFFFAOYSA-N	2	0	442.571	3.386	20	0		IGADRP
CN(C)c1cccc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)[nH+]1	ZINC001164681439	719658489	/nfs/dbraw/zinc/65/84/89/719658489.db2.gz	OWEJKTWEYOKKSY-HXUWFJFHSA-N	2	0	435.616	3.241	20	0		IGADRP
COc1cc2cc[nH+]c(N3CC[C@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2cc1OC	ZINC001164831925	720321760	/nfs/dbraw/zinc/32/17/60/720321760.db2.gz	SEBZQSXAPXPRRI-RTWAWAEBSA-N	2	0	438.572	3.164	20	0		IGADRP
CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ccc(OCC4CC[NH2+]CC4)cn3)CC[C@@H]21	ZINC001164843217	720645712	/nfs/dbraw/zinc/64/57/12/720645712.db2.gz	VLOWJIGCGKJVTC-GPXNEJASSA-N	2	0	438.620	3.034	20	0		IGADRP
COc1cc2cc[nH+]c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2cc1OC	ZINC001164745572	720832134	/nfs/dbraw/zinc/83/21/34/720832134.db2.gz	WVNJZCOGBKSZTQ-RZUBCFFCSA-N	2	0	448.571	3.223	20	0		IGADRP
COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(C[NH+]3CCCC3)cn1)CC2	ZINC001164791323	721466256	/nfs/dbraw/zinc/46/62/56/721466256.db2.gz	WZJAZQSMCPUHHA-XMMPIXPASA-N	2	0	442.648	3.411	20	0		IGADRP
COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(C[NH+](C)C3CC3)cn1)CC2	ZINC001164786399	721468609	/nfs/dbraw/zinc/46/86/09/721468609.db2.gz	BDAQAWZVPQPBNA-DEOSSOPVSA-N	2	0	442.648	3.410	20	0		IGADRP
FC1(F)CCN(c2cccc(N3CCOCC3)[nH+]2)C[C@]12CC[N@H+](Cc1ccccn1)C2	ZINC001164905579	721718059	/nfs/dbraw/zinc/71/80/59/721718059.db2.gz	HUFBWCFAOKQMNV-JOCHJYFZSA-N	2	0	429.515	3.051	20	0		IGADRP
C[NH+]1CCC(Oc2cc[nH+]c(N3CCO[C@H]4[C@H]3CC[C@H]4COCc3nccs3)c2)CC1	ZINC001164918643	721811571	/nfs/dbraw/zinc/81/15/71/721811571.db2.gz	SKQLEPVJXVRSSB-XTQVGHSUSA-N	2	0	444.601	3.212	20	0		IGADRP
COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nccc(C3CC[NH2+]CC3)n2)CC1	ZINC001165021233	721842646	/nfs/dbraw/zinc/84/26/46/721842646.db2.gz	ITQGYYXHRBEACU-UHFFFAOYSA-N	2	0	425.577	3.062	20	0		IGADRP
COc1cc2cc[nH+]c(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2cc1OC	ZINC001164980559	722121925	/nfs/dbraw/zinc/12/19/25/722121925.db2.gz	RVMYKNUHCLZGSO-GBXCKJPGSA-N	2	0	434.540	3.374	20	0		IGADRP
[NH3+]C1CCN(c2cccc(N3CCC4(CC3)COCCN4Cc3ccc(F)cc3)[nH+]2)CC1	ZINC001164670279	719520224	/nfs/dbraw/zinc/52/02/24/719520224.db2.gz	CQFDUZBHYOEGGG-UHFFFAOYSA-N	2	0	439.579	3.020	20	0		IGADRP
C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3cc(C[NH+](C)C)ccn3)CC2)c2ccccc21	ZINC001164680386	719680974	/nfs/dbraw/zinc/68/09/74/719680974.db2.gz	DKUOPYCZEXHZCW-QFIPXVFZSA-N	2	0	449.643	3.237	20	0		IGADRP
C[NH+](C)C[C@H]1Cn2ccnc2CN(C(F)(F)c2cnc(Cl)c(C3=CC[NH2+]CC3)c2)C1	ZINC001164735981	720535656	/nfs/dbraw/zinc/53/56/56/720535656.db2.gz	SYSVBYXKVYDJQW-HNNXBMFYSA-N	2	0	436.938	3.051	20	0		IGADRP
c1cn(Cc2ccccc2)c2cc[nH+]c(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)c12	ZINC001164739268	720716040	/nfs/dbraw/zinc/71/60/40/720716040.db2.gz	MRCNMCPBPANZAS-SFTDATJTSA-N	2	0	426.524	3.217	20	0		IGADRP
Cc1nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)cc(N(C)C)[nH+]1	ZINC001164755894	720874207	/nfs/dbraw/zinc/87/42/07/720874207.db2.gz	ZSPCCOGSXQLGMT-DHLKQENFSA-N	2	0	436.604	3.001	20	0		IGADRP
Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc(C[NH+]4CCCC4)cn3)C2)C1	ZINC001164784925	721365559	/nfs/dbraw/zinc/36/55/59/721365559.db2.gz	RNUJGCGWLDJVFN-VWLOTQADSA-N	2	0	439.604	3.401	20	0		IGADRP
Cc1noc(C)c1C[NH+]1CCOC[C@]2(CCCN(c3ccc(C[N@@H+](C)C4CC4)cn3)C2)C1	ZINC001164780760	721369011	/nfs/dbraw/zinc/36/90/11/721369011.db2.gz	HELOBKDNAWLPMP-RUZDIDTESA-N	2	0	439.604	3.400	20	0		IGADRP
COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(N3CCCC3)cc(C)[nH+]1)CC2	ZINC001164712720	720092369	/nfs/dbraw/zinc/09/23/69/720092369.db2.gz	YMXYFSJTJVLDKN-QFIPXVFZSA-N	2	0	436.604	3.288	20	0		IGADRP
CCC[N@@H+]1CCCC[C@@H]1c1ccc(-n2nc(C(=O)N3CCC[C@@H]3C)c3c2CC[NH2+]C3)nc1	ZINC001164848008	720806322	/nfs/dbraw/zinc/80/63/22/720806322.db2.gz	BMSGRJARCMMUFF-GHTZIAJQSA-N	2	0	436.604	3.475	20	0		IGADRP
C[NH+]1CCC(Oc2cc[nH+]c(N3CCC[C@]4(C[C@@H](OCc5ccccn5)CO4)C3)c2)CC1	ZINC001164761469	721031902	/nfs/dbraw/zinc/03/19/02/721031902.db2.gz	GFHXQBYCYKVQON-NOZRDPDXSA-N	2	0	438.572	3.294	20	0		IGADRP
C[NH+]1CCC(Oc2cc[nH+]c(N3CCC4(C[C@H](Oc5ncccc5F)CO4)CC3)c2)CC1	ZINC001164775935	721327354	/nfs/dbraw/zinc/32/73/54/721327354.db2.gz	AVCLXWVIIQZPMU-FQEVSTJZSA-N	2	0	442.535	3.296	20	0		IGADRP
COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(N3CCCC3)cc[nH+]1)CC2	ZINC001164787468	721462983	/nfs/dbraw/zinc/46/29/83/721462983.db2.gz	QUTGQBNOTVFZDT-HSZRJFAPSA-N	2	0	428.621	3.416	20	0		IGADRP
COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(C[NH+](C)C3CC3)cn1)CC2	ZINC001164786404	721468682	/nfs/dbraw/zinc/46/86/82/721468682.db2.gz	BDAQAWZVPQPBNA-XMMPIXPASA-N	2	0	442.648	3.410	20	0		IGADRP
C[NH+]1CCC(Oc2cc[nH+]c(N3CCC4(CCC(=O)N4Cc4ccncc4)CC3)c2)CC1	ZINC001164900184	721507175	/nfs/dbraw/zinc/50/71/75/721507175.db2.gz	PALXFXAROJYQKD-UHFFFAOYSA-N	2	0	435.572	3.111	20	0		IGADRP
Fc1cccc(O[C@H]2C[C@@H]3CN(c4cccc(OCC[NH+]5CCCC5)n4)CC[N@@H+]3C2)c1	ZINC001164902635	721548619	/nfs/dbraw/zinc/54/86/19/721548619.db2.gz	ASGCJSUVCMDIOG-IRLDBZIGSA-N	2	0	426.536	3.037	20	0		IGADRP
Cc1ccc(C[N@@H+]2CCOC3(CCN(c4cccc(N5CCC([NH3+])CC5)[nH+]4)CC3)C2)cc1	ZINC001164940240	721929558	/nfs/dbraw/zinc/92/95/58/721929558.db2.gz	TXZGYLUQCXKPCC-UHFFFAOYSA-N	3	0	435.616	3.189	20	0		IGADRP
O=C1OC2(CC[NH+](Cc3ccccc3)CC2)c2cnc(Cl)c(N3CC[C@H]4[NH2+]CC[C@H]43)c21	ZINC001164410568	718875221	/nfs/dbraw/zinc/87/52/21/718875221.db2.gz	DCNNJKDOURDJGV-RTBURBONSA-N	2	0	438.959	3.337	20	0		IGADRP
Cc1ccc(C[NH+]2CCC3(CCN(c4ccc(N5CC[NH+](C)CC5)nn4)CC3)CC2)cc1	ZINC001164763721	721042158	/nfs/dbraw/zinc/04/21/58/721042158.db2.gz	KMOHALBMLAFYMF-UHFFFAOYSA-N	2	0	434.632	3.419	20	0		IGADRP
COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(N3CCCC3)cc(C)[nH+]1)CC2	ZINC001164790338	721447943	/nfs/dbraw/zinc/44/79/43/721447943.db2.gz	YJWFMXVYFMOEGQ-QFIPXVFZSA-N	2	0	443.636	3.119	20	0		IGADRP
C[NH+]1CCC(Oc2ccnc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)c2)CC1	ZINC001164907245	721563760	/nfs/dbraw/zinc/56/37/60/721563760.db2.gz	NAQTXXZHAJKHKS-WMZHIEFXSA-N	2	0	426.536	3.036	20	0		IGADRP
C[NH+]1CCC(Oc2cc[nH+]c(N3CCC4(CC[C@H](C(=O)NCC5CC5)C4)CC3)c2)CC1	ZINC001164975234	722091875	/nfs/dbraw/zinc/09/18/75/722091875.db2.gz	DZFSNSZUQMXGIQ-FQEVSTJZSA-N	2	0	426.605	3.468	20	0		IGADRP
Fc1cccc(C[N@@H+]2CC[C@]23CCCN(c2ccc(OCC4CC[NH2+]CC4)nn2)C3)c1	ZINC001164998801	722211556	/nfs/dbraw/zinc/21/15/56/722211556.db2.gz	XZSLSOJEYIHXIP-DEOSSOPVSA-N	2	0	425.552	3.239	20	0		IGADRP
CCOC(=O)C1CC[NH+](C2CCN(c3[nH+]ccc4cc(OC)c(OC)cc43)CC2)CC1	ZINC001164616351	719027420	/nfs/dbraw/zinc/02/74/20/719027420.db2.gz	BLICVPNBVLJBDY-UHFFFAOYSA-N	2	0	427.545	3.496	20	0		IGADRP
CCOC(=O)c1c[nH]c2cc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)[nH+]cc21	ZINC001164840828	720592944	/nfs/dbraw/zinc/59/29/44/720592944.db2.gz	QYECULDINBRLIV-KGVIQGDOSA-N	2	0	436.560	3.314	20	0		IGADRP
C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc(Cl)nc3c1C[NH2+]CC3)CC2	ZINC001164839957	720660611	/nfs/dbraw/zinc/66/06/11/720660611.db2.gz	LHVZKGGEAYXBNF-SFHVURJKSA-N	2	0	427.980	3.036	20	0		IGADRP
c1cn(-c2cc[nH+]c(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2)cn1	ZINC001164750187	720924803	/nfs/dbraw/zinc/92/48/03/720924803.db2.gz	JSXHNHBSJUBZPE-BVAGGSTKSA-N	2	0	444.583	3.417	20	0		IGADRP
CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)nc1	ZINC001164892383	721446495	/nfs/dbraw/zinc/44/64/95/721446495.db2.gz	IKQGDOOJCGWGIE-DGWZTRNLSA-N	2	0	441.664	3.394	20	0		IGADRP
Fc1cccc(O[C@@H]2C[C@H]3CN(c4nc(Cl)cc(C5CC[NH2+]CC5)n4)CC[N@@H+]3C2)c1	ZINC001164900423	721524556	/nfs/dbraw/zinc/52/45/56/721524556.db2.gz	QYDWTBMVOUJLTK-PKOBYXMFSA-N	2	0	431.943	3.078	20	0		IGADRP
Cc1ccc(N(c2cccc(N3CC[NH+](C)CC3)n2)c2ncnc3c2CC[NH2+]CC3)cc1	ZINC001164968184	722078579	/nfs/dbraw/zinc/07/85/79/722078579.db2.gz	VCYBSEWJHAKRFJ-UHFFFAOYSA-N	2	0	429.572	3.090	20	0		IGADRP
O=C1OC2(CC[NH+](Cc3ccccc3)CC2)c2cnc(Cl)c(N3CCC[C@H]4[NH2+]C[C@@H]43)c21	ZINC001164450471	718998512	/nfs/dbraw/zinc/99/85/12/718998512.db2.gz	WRYHZQWATISJTJ-MOPGFXCFSA-N	2	0	438.959	3.337	20	0		IGADRP
CC(C)[N@H+]1[C@@H]2CCN(c3ccc(OCC4CC[NH2+]CC4)cn3)C[C@H]2C[C@H]1Cn1cccn1	ZINC001164843215	720645088	/nfs/dbraw/zinc/64/50/88/720645088.db2.gz	VLOWJIGCGKJVTC-AOHZBQACSA-N	2	0	438.620	3.034	20	0		IGADRP
Cn1cnc2c1[C@H](COCc1cccnc1)N(c1cc(OC3CC[NH+](C)CC3)cc[nH+]1)CC2	ZINC001164780448	721442210	/nfs/dbraw/zinc/44/22/10/721442210.db2.gz	AJYGNBDZDIIRIO-QHCPKHFHSA-N	2	0	448.571	3.004	20	0		IGADRP
COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncccc1C[NH+]1CCCC1)CC2	ZINC001164787969	721472302	/nfs/dbraw/zinc/47/23/02/721472302.db2.gz	HDKSMNXBOKGOQD-XMMPIXPASA-N	2	0	442.648	3.411	20	0		IGADRP
CC(=O)N1CC[C@]2(c3ccccc3)CCN(c3cc(OC4CC[NH+](C)CC4)cc[nH+]3)C[C@H]12	ZINC001164947130	721968097	/nfs/dbraw/zinc/96/80/97/721968097.db2.gz	PQFUPJKKANZAGI-AHWVRZQESA-N	2	0	434.584	3.324	20	0		IGADRP
O=S(=O)(c1ccccc1)N(c1ccc(C[NH+]2CCCC2)cn1)[C@@H]1CCC12CC[NH2+]CC2	ZINC001164688534	719592434	/nfs/dbraw/zinc/59/24/34/719592434.db2.gz	XJNOWYHJDWSKAO-JOCHJYFZSA-N	2	0	440.613	3.405	20	0		IGADRP
C[NH+]1CCC(Oc2cc[nH+]c(N3CCO[C@]4(CCC[C@H]4COc4ccccn4)C3)c2)CC1	ZINC001164734309	720541634	/nfs/dbraw/zinc/54/16/34/720541634.db2.gz	HSYIAHKMKHVPTN-NBGIEHNGSA-N	2	0	438.572	3.404	20	0		IGADRP
CC(C)[N@H+]1[C@@H]2CCN(c3ccc(OCC4CC[NH2+]CC4)cn3)C[C@@H]2C[C@H]1Cn1cccn1	ZINC001164843218	720645290	/nfs/dbraw/zinc/64/52/90/720645290.db2.gz	VLOWJIGCGKJVTC-WPFOTENUSA-N	2	0	438.620	3.034	20	0		IGADRP
CCc1cc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)nc(N2CCOCC2)[nH+]1	ZINC001165025343	721817844	/nfs/dbraw/zinc/81/78/44/721817844.db2.gz	MRYDJIVJBJAURT-AJSBUHFISA-N	2	0	436.604	3.008	20	0		IGADRP
CC(=O)N1CC[C@]2(c3ccccc3)CCN(c3cc(OC4CC[NH+](C)CC4)cc[nH+]3)C[C@@H]12	ZINC001164947133	721968049	/nfs/dbraw/zinc/96/80/49/721968049.db2.gz	PQFUPJKKANZAGI-RSXGOPAZSA-N	2	0	434.584	3.324	20	0		IGADRP
c1csc(C[N@@H+]2CCOC3(CCN(c4cccc(OCC[NH+]5CCCC5)n4)CC3)C2)c1	ZINC001164698287	719897233	/nfs/dbraw/zinc/89/72/33/719897233.db2.gz	QVBGIMLHZGGQHJ-UHFFFAOYSA-N	2	0	442.629	3.489	20	0		IGADRP
C[NH+]1CCC(Oc2cc[nH+]c(N3CCO[C@@]4(CCC[C@H]4COc4ccccn4)C3)c2)CC1	ZINC001164734306	720541848	/nfs/dbraw/zinc/54/18/48/720541848.db2.gz	HSYIAHKMKHVPTN-CPJSRVTESA-N	2	0	438.572	3.404	20	0		IGADRP
Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ccc5c(n4)CC[NH+](Cc4ccccc4)C5)C[C@@H]3C2)cn1	ZINC001164769927	721104622	/nfs/dbraw/zinc/10/46/22/721104622.db2.gz	QHBLZCMZGCLGTG-ZCYQVOJMSA-N	2	0	442.611	3.332	20	0		IGADRP
Cn1cnc2c1[C@@H](COCc1cccnc1)N(c1cc(OC3CC[NH+](C)CC3)cc[nH+]1)CC2	ZINC001164780447	721442435	/nfs/dbraw/zinc/44/24/35/721442435.db2.gz	AJYGNBDZDIIRIO-HSZRJFAPSA-N	2	0	448.571	3.004	20	0		IGADRP
Fc1cccc(O[C@H]2C[C@@H]3CN(c4nc(Cl)cc(C5CC[NH2+]CC5)n4)CC[N@@H+]3C2)c1	ZINC001164900422	721524236	/nfs/dbraw/zinc/52/42/36/721524236.db2.gz	QYDWTBMVOUJLTK-MJGOQNOKSA-N	2	0	431.943	3.078	20	0		IGADRP
COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cccc(N3CCOCC3)[nH+]2)CC1	ZINC001165020404	721842719	/nfs/dbraw/zinc/84/27/19/721842719.db2.gz	DDYNIHJOSOBIKQ-UHFFFAOYSA-N	2	0	426.561	3.036	20	0		IGADRP
CC[NH+](CC)C1CCN(c2nccc(NC(=O)C(C)(C)C)c2C[N@@H+]2CC[C@@H](CO)C2)CC1	ZINC001165054127	722004641	/nfs/dbraw/zinc/00/46/41/722004641.db2.gz	ZYBPLKFNLIDCHE-LJQANCHMSA-N	2	0	445.652	3.191	20	0		IGADRP
CN(C)C(=O)N[C@@H]1c2ccccc2[C@H]2CN(c3cc(OC4CC[NH+](C)CC4)cc[nH+]3)C[C@@H]21	ZINC001164985730	722098218	/nfs/dbraw/zinc/09/82/18/722098218.db2.gz	WJPWRAKKTDXXMB-AOHZBQACSA-N	2	0	435.572	3.101	20	0		IGADRP
Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2ccc(OCC4CC[NH2+]CC4)nn2)C3)c1	ZINC001164998802	722211721	/nfs/dbraw/zinc/21/17/21/722211721.db2.gz	XZSLSOJEYIHXIP-XMMPIXPASA-N	2	0	425.552	3.239	20	0		IGADRP
[NH3+][C@@]12C[C@@H]1CCN(c1c3c(cnc1Cl)C1(CC[NH+](Cc4ccccc4)CC1)OC3=O)C2	ZINC001164418869	718896040	/nfs/dbraw/zinc/89/60/40/718896040.db2.gz	FUFRRIVGKKAGEK-GAJHUEQPSA-N	2	0	438.959	3.324	20	0		IGADRP
C[NH+]1CCC(Oc2cc[nH+]c(N3CCO[C@@]4(CCC[C@@H]4COc4ccccn4)C3)c2)CC1	ZINC001164734312	720542058	/nfs/dbraw/zinc/54/20/58/720542058.db2.gz	HSYIAHKMKHVPTN-NLFFAJNJSA-N	2	0	438.572	3.404	20	0		IGADRP
C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc(Cl)nc3c1C[NH2+]CC3)CC2	ZINC001164839956	720659905	/nfs/dbraw/zinc/65/99/05/720659905.db2.gz	LHVZKGGEAYXBNF-GOSISDBHSA-N	2	0	427.980	3.036	20	0		IGADRP
COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(N3CCCC3)cc[nH+]1)CC2	ZINC001164787471	721463024	/nfs/dbraw/zinc/46/30/24/721463024.db2.gz	QUTGQBNOTVFZDT-QHCPKHFHSA-N	2	0	428.621	3.416	20	0		IGADRP
C[NH+]1CCC(Oc2cc[nH+]c(N3CCCC[C@@]34CC(=O)N(Cc3cccnc3)C4)c2)CC1	ZINC001164893944	721476095	/nfs/dbraw/zinc/47/60/95/721476095.db2.gz	KLDLFVPDRZNVBQ-VWLOTQADSA-N	2	0	435.572	3.111	20	0		IGADRP
Fc1cccc(O[C@@H]2C[C@@H]3CN(c4nc(Cl)cc(C5CC[NH2+]CC5)n4)CC[N@@H+]3C2)c1	ZINC001164900357	721524479	/nfs/dbraw/zinc/52/44/79/721524479.db2.gz	QYDWTBMVOUJLTK-IEBWSBKVSA-N	2	0	431.943	3.078	20	0		IGADRP
C[NH+]1CCC(Oc2cc[nH+]c(N3CCO[C@@H]4[C@H](COCc5nccs5)CC[C@@H]43)c2)CC1	ZINC001164918642	721811405	/nfs/dbraw/zinc/81/14/05/721811405.db2.gz	SKQLEPVJXVRSSB-KPDCDPCYSA-N	2	0	444.601	3.212	20	0		IGADRP
CN(C)c1cccc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)[nH+]1	ZINC001164681438	719658314	/nfs/dbraw/zinc/65/83/14/719658314.db2.gz	OWEJKTWEYOKKSY-FQEVSTJZSA-N	2	0	435.616	3.241	20	0		IGADRP
Cc1nc(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cc(OC3CC[NH+](C)CC3)cc[nH+]2)cs1	ZINC001164815136	720258855	/nfs/dbraw/zinc/25/88/55/720258855.db2.gz	BBIVACZEUAHEJV-LEWJYISDSA-N	2	0	441.601	3.089	20	0		IGADRP
Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ccc5c(n4)CC[NH+](Cc4ccccc4)C5)C[C@H]3C2)cn1	ZINC001164769924	721105103	/nfs/dbraw/zinc/10/51/03/721105103.db2.gz	QHBLZCMZGCLGTG-ILBGXUMGSA-N	2	0	442.611	3.332	20	0		IGADRP
C[NH+]1CCC(Oc2cc[nH+]c(N3CCC4(C[C@@H](Oc5ncccc5F)CO4)CC3)c2)CC1	ZINC001164775939	721327647	/nfs/dbraw/zinc/32/76/47/721327647.db2.gz	AVCLXWVIIQZPMU-HXUWFJFHSA-N	2	0	442.535	3.296	20	0		IGADRP
C[NH+]1CCC(Oc2cc[nH+]c(N3CCCC[C@]34CC(=O)N(Cc3cccnc3)C4)c2)CC1	ZINC001164893943	721476068	/nfs/dbraw/zinc/47/60/68/721476068.db2.gz	KLDLFVPDRZNVBQ-RUZDIDTESA-N	2	0	435.572	3.111	20	0		IGADRP
C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccc(OCC3CC[NH2+]CC3)nn1)CC2	ZINC001164795714	721502053	/nfs/dbraw/zinc/50/20/53/721502053.db2.gz	KEQXBIBXVNAHMK-UHFFFAOYSA-N	2	0	436.604	3.131	20	0		IGADRP