smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(-n2nc(-c3ccncc3)nc2[C@@H](C)C[NH+]2CCCC2)ccn1 ZINC000097631926 454442021 /nfs/dbraw/zinc/44/20/21/454442021.db2.gz KBYODJBZUGRXCM-HNNXBMFYSA-N 1 3 348.454 3.232 50 0 EGAAHO C[C@H](C1CC[NH+](Cc2ccnc3ccccc23)CC1)N1CCOCC1 ZINC000065508944 454580503 /nfs/dbraw/zinc/58/05/03/454580503.db2.gz INRXGXNEBAVSSF-QGZVFWFLSA-N 1 3 339.483 3.168 50 0 EGAAHO COc1cccc(OC)c1CN(C)[C@@H]1C[C@@H]2C[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001704352887 1416453413 /nfs/dbraw/zinc/45/34/13/1416453413.db2.gz LXXVKPDMZDMRIF-WNKDZCFJSA-N 1 3 332.488 3.254 50 0 EGAAHO OC1(C[NH+]2CCCC2)CCN(Cc2ccccc2-c2ccco2)CC1 ZINC000215720576 241140472 /nfs/dbraw/zinc/14/04/72/241140472.db2.gz NTOBMJYOABEOMZ-UHFFFAOYSA-N 1 3 340.467 3.369 50 0 EGAAHO C[NH+](C)C[C@H]1[C@@H]2CN(Cc3c(-c4ccccc4)nc4ccccn43)C[C@H]12 ZINC000101992978 204029211 /nfs/dbraw/zinc/02/92/11/204029211.db2.gz SZBYBVBZWVAAFV-LDLYASANSA-N 1 3 346.478 3.241 50 0 EGAAHO CC(C)CCN(C)C(=O)[C@@H]1CCCN(C2CC[NH+](C(C)C)CC2)C1 ZINC000012701720 453392898 /nfs/dbraw/zinc/39/28/98/453392898.db2.gz SVIJTTUWHFSSCW-GOSISDBHSA-N 1 3 337.552 3.076 50 0 EGAAHO c1cn(Cc2ccccc2)c(CNC2CCC3(CC[NH2+]CC3)CC2)n1 ZINC000067696622 453957777 /nfs/dbraw/zinc/95/77/77/453957777.db2.gz KZVDWCJRRIOKIE-UHFFFAOYSA-N 1 3 338.499 3.333 50 0 EGAAHO COC1CCN(Cc2cccc(OCC[NH+]3CCCCC3)c2)CC1 ZINC000215545066 241131654 /nfs/dbraw/zinc/13/16/54/241131654.db2.gz ZPLCIFLBAKWTIG-UHFFFAOYSA-N 1 3 332.488 3.162 50 0 EGAAHO C[C@@H](C1CCN(Cc2ccc3occc3c2)CC1)[NH+]1CCN(C)CC1 ZINC000077406410 203386606 /nfs/dbraw/zinc/38/66/06/203386606.db2.gz AZYGFMLTLDSQBA-KRWDZBQOSA-N 1 3 341.499 3.281 50 0 EGAAHO CC(C)Cc1ccc(CN2CCC(O)(C[NH+]3CCCC3)CC2)s1 ZINC000821459914 1320014693 /nfs/dbraw/zinc/01/46/93/1320014693.db2.gz NGYYXDKFWLVXFZ-UHFFFAOYSA-N 1 3 336.545 3.369 50 0 EGAAHO Cc1cc(N2CCCN(Cc3ccc(-n4cccn4)cc3)CC2)cc[nH+]1 ZINC000072151167 203173278 /nfs/dbraw/zinc/17/32/78/203173278.db2.gz OMBFGXMCTHBLAZ-UHFFFAOYSA-N 1 3 347.466 3.288 50 0 EGAAHO CSc1cccc(CN2CCC([C@@H](C)[NH+]3CCN(C)CC3)CC2)c1 ZINC000077406431 203385835 /nfs/dbraw/zinc/38/58/35/203385835.db2.gz DPLRSPXYHGWOPA-QGZVFWFLSA-N 1 3 347.572 3.256 50 0 EGAAHO CC(C)Oc1ccc(CNCC[C@]2(O)C[C@@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000004859447 452821677 /nfs/dbraw/zinc/82/16/77/452821677.db2.gz VTZLVAXMWLFFNO-HLIPFELVSA-N 1 3 334.504 3.045 50 0 EGAAHO CC(C)Oc1ccc(CNCC[C@]2(O)C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000004859447 452821685 /nfs/dbraw/zinc/82/16/85/452821685.db2.gz VTZLVAXMWLFFNO-HLIPFELVSA-N 1 3 334.504 3.045 50 0 EGAAHO CC(C)[NH+]1CCC(N2CCC[C@@H](C(=O)NC3CCCCC3)C2)CC1 ZINC000012386881 453359686 /nfs/dbraw/zinc/35/96/86/453359686.db2.gz HHNGTEZNMJRCMS-QGZVFWFLSA-N 1 3 335.536 3.020 50 0 EGAAHO Cc1ccc(CN2CCC([N@@H+](C)CCN(C)C)CC2)c2cccnc12 ZINC000097346784 454432150 /nfs/dbraw/zinc/43/21/50/454432150.db2.gz SOBSSSICDZZHRW-UHFFFAOYSA-N 1 3 340.515 3.001 50 0 EGAAHO Cc1ccc(CN2CCC([N@H+](C)CCN(C)C)CC2)c2cccnc12 ZINC000097346784 454432157 /nfs/dbraw/zinc/43/21/57/454432157.db2.gz SOBSSSICDZZHRW-UHFFFAOYSA-N 1 3 340.515 3.001 50 0 EGAAHO NCCC[NH2+]C1CCN(c2ccc(-c3cccc(F)c3)cc2)CC1 ZINC000063856369 454455946 /nfs/dbraw/zinc/45/59/46/454455946.db2.gz QLBFMPFWXLZSER-UHFFFAOYSA-N 1 3 327.447 3.400 50 0 EGAAHO Cc1cc(NC[C@H](c2ccc(F)cc2)N2CCCCC2)nc(N)[nH+]1 ZINC000091724631 454462048 /nfs/dbraw/zinc/46/20/48/454462048.db2.gz LWNNGERRCBLOOC-MRXNPFEDSA-N 1 3 329.423 3.145 50 0 EGAAHO Cc1ccc(-c2ccc(CN3CCC(CO)(C[NH+](C)C)CC3)cc2)o1 ZINC000215900731 241154623 /nfs/dbraw/zinc/15/46/23/241154623.db2.gz JJBVOTOFDFXSDM-UHFFFAOYSA-N 1 3 342.483 3.391 50 0 EGAAHO C[C@H](NC1CCC2(CC[NH2+]CC2)CC1)c1nc(-c2ccccn2)no1 ZINC000067804635 453967715 /nfs/dbraw/zinc/96/77/15/453967715.db2.gz IAHUGOIPLBYFBQ-AWEZNQCLSA-N 1 3 341.459 3.095 50 0 EGAAHO CCN1CC2(c3ccccc3)C[NH+](CC)CC(c3ccccc3)(C1)C2=O ZINC000085588042 454034224 /nfs/dbraw/zinc/03/42/24/454034224.db2.gz WXSAZPDUHAUUNA-UHFFFAOYSA-N 1 3 348.490 3.103 50 0 EGAAHO C[NH+](C)CCn1ccnc1[C@H]1CCCN(c2ccnc3ccccc32)C1 ZINC000095504811 454223949 /nfs/dbraw/zinc/22/39/49/454223949.db2.gz RGVUDIJCNXRGMP-KRWDZBQOSA-N 1 3 349.482 3.377 50 0 EGAAHO C[C@H](C1CC[NH+](C/C=C/c2ccc(F)cc2)CC1)N1CCOCC1 ZINC000072412427 203218104 /nfs/dbraw/zinc/21/81/04/203218104.db2.gz VNCADAUBZDBHLA-RCAFFNEUSA-N 1 3 332.463 3.272 50 0 EGAAHO CCc1oc2ccccc2c1CN1CCN(C)C2(CC[NH+](C)CC2)C1 ZINC000067677096 453955225 /nfs/dbraw/zinc/95/52/25/453955225.db2.gz VEBOGOIPVWQPKV-UHFFFAOYSA-N 1 3 341.499 3.207 50 0 EGAAHO CC(C)Cc1ccc(CN2CCC3(CC2)C[N@H+](C)CCN3C)s1 ZINC000067696487 453957538 /nfs/dbraw/zinc/95/75/38/453957538.db2.gz BUFVYTQZECILBK-UHFFFAOYSA-N 1 3 335.561 3.158 50 0 EGAAHO CC(C)Cc1ccc(CN2CCC3(CC2)C[N@@H+](C)CCN3C)s1 ZINC000067696487 453957542 /nfs/dbraw/zinc/95/75/42/453957542.db2.gz BUFVYTQZECILBK-UHFFFAOYSA-N 1 3 335.561 3.158 50 0 EGAAHO c1cn(C[C@@H]2CCC[N@H+](Cc3cc(CN4CCCC4)cs3)C2)cn1 ZINC000097730025 454445150 /nfs/dbraw/zinc/44/51/50/454445150.db2.gz LXCINOWOSVEDIR-QGZVFWFLSA-N 1 3 344.528 3.453 50 0 EGAAHO c1cn(C[C@@H]2CCC[N@@H+](Cc3cc(CN4CCCC4)cs3)C2)cn1 ZINC000097730025 454445153 /nfs/dbraw/zinc/44/51/53/454445153.db2.gz LXCINOWOSVEDIR-QGZVFWFLSA-N 1 3 344.528 3.453 50 0 EGAAHO N[C@@H](CCCC[NH3+])C(=O)Nc1cccc(-c2ccc(Cl)cc2)c1 ZINC000952985419 1334630903 /nfs/dbraw/zinc/63/09/03/1334630903.db2.gz SMNSTDYMCAWDGG-KRWDZBQOSA-N 1 3 331.847 3.402 50 0 EGAAHO c1ccc(CN2CC[C@H]([NH2+]C[C@@H]3CCCN4CCCC[C@H]34)C2)cc1 ZINC000055225757 453970578 /nfs/dbraw/zinc/97/05/78/453970578.db2.gz HPDSLGNUGMQSRL-PCCBWWKXSA-N 1 3 327.516 3.115 50 0 EGAAHO CN(C)Cc1csc(C[N@@H+]2C[C@@H]3CC[C@H](C2)N(CC2CC2)C3)c1 ZINC000095519167 454226861 /nfs/dbraw/zinc/22/68/61/454226861.db2.gz XDAONSBDICTFQU-FUHWJXTLSA-N 1 3 333.545 3.116 50 0 EGAAHO CN(C)Cc1csc(C[N@H+]2C[C@@H]3CC[C@H](C2)N(CC2CC2)C3)c1 ZINC000095519167 454226863 /nfs/dbraw/zinc/22/68/63/454226863.db2.gz XDAONSBDICTFQU-FUHWJXTLSA-N 1 3 333.545 3.116 50 0 EGAAHO CC(C)Oc1cccc(C[NH+]2CCC([C@@H](C)N3CCOCC3)CC2)c1 ZINC000072480338 216260621 /nfs/dbraw/zinc/26/06/21/216260621.db2.gz NAFVYOFYIXSUNS-GOSISDBHSA-N 1 3 346.515 3.407 50 0 EGAAHO C[C@H]1CCCC[N@@H+]1Cc1cccc(NC(=O)NCCN2CCCC2)c1 ZINC000095523853 454228194 /nfs/dbraw/zinc/22/81/94/454228194.db2.gz AGLPWZSJDDXOHQ-KRWDZBQOSA-N 1 3 344.503 3.278 50 0 EGAAHO C[C@H]1CCCC[N@H+]1Cc1cccc(NC(=O)NCCN2CCCC2)c1 ZINC000095523853 454228197 /nfs/dbraw/zinc/22/81/97/454228197.db2.gz AGLPWZSJDDXOHQ-KRWDZBQOSA-N 1 3 344.503 3.278 50 0 EGAAHO Cc1c[nH+]ccc1N1CCCN(Cc2ccc(-n3ccnc3)cc2)CC1 ZINC000067878550 215237477 /nfs/dbraw/zinc/23/74/77/215237477.db2.gz RKFUHZHPVRCGBD-UHFFFAOYSA-N 1 3 347.466 3.288 50 0 EGAAHO c1coc(C[N@H+]2CC[C@@H](C3CCN(Cc4cccnc4)CC3)C2)c1 ZINC000012304979 211338700 /nfs/dbraw/zinc/33/87/00/211338700.db2.gz FMBGBSMSEUKDJG-LJQANCHMSA-N 1 3 325.456 3.409 50 0 EGAAHO c1coc(C[N@@H+]2CC[C@@H](C3CCN(Cc4cccnc4)CC3)C2)c1 ZINC000012304979 211338703 /nfs/dbraw/zinc/33/87/03/211338703.db2.gz FMBGBSMSEUKDJG-LJQANCHMSA-N 1 3 325.456 3.409 50 0 EGAAHO CCN(Cc1ccncc1)Cc1ccc(OC2CC[NH2+]CC2)cc1 ZINC000299781879 258090600 /nfs/dbraw/zinc/09/06/00/258090600.db2.gz UZPABBUDBRLEBR-UHFFFAOYSA-N 1 3 325.456 3.235 50 0 EGAAHO NCCC[NH2+]C1CCN(c2cccc(-c3ccc(F)cc3)c2)CC1 ZINC000063870976 454457361 /nfs/dbraw/zinc/45/73/61/454457361.db2.gz UJABXASKQSPLJZ-UHFFFAOYSA-N 1 3 327.447 3.400 50 0 EGAAHO C[C@H]1CCC[N@H+](CCOc2ccccc2CN(C)CC2(C)COC2)C1 ZINC000823683721 1320197992 /nfs/dbraw/zinc/19/79/92/1320197992.db2.gz BLAPIFZGYHJBDL-SFHVURJKSA-N 1 3 346.515 3.266 50 0 EGAAHO C[C@H]1CCC[N@@H+](CCOc2ccccc2CN(C)CC2(C)COC2)C1 ZINC000823683721 1320197996 /nfs/dbraw/zinc/19/79/96/1320197996.db2.gz BLAPIFZGYHJBDL-SFHVURJKSA-N 1 3 346.515 3.266 50 0 EGAAHO COc1ccccc1OC1CC[NH+](CC[C@@H]2CCCCN2C)CC1 ZINC000020255941 212115030 /nfs/dbraw/zinc/11/50/30/212115030.db2.gz WFJDTRRGGJBRGL-KRWDZBQOSA-N 1 3 332.488 3.413 50 0 EGAAHO Cc1ccc2nccc(N3CCC([C@@H](C)[NH+]4CCOCC4)CC3)c2c1 ZINC000095391778 218323522 /nfs/dbraw/zinc/32/35/22/218323522.db2.gz PTHOHRYIQGKWNI-QGZVFWFLSA-N 1 3 339.483 3.480 50 0 EGAAHO C[C@H](c1cccc(CN2CCN(C3CCSCC3)CC2)c1)[NH+](C)C ZINC000216300257 290246460 /nfs/dbraw/zinc/24/64/60/290246460.db2.gz HXBXPLHOAXLRIC-QGZVFWFLSA-N 1 3 347.572 3.322 50 0 EGAAHO C=Cc1cccc([C@H]2[NH2+][C@](CO)(c3ccccc3)[C@H]3CN(C)C[C@H]32)c1 ZINC000065426920 454566224 /nfs/dbraw/zinc/56/62/24/454566224.db2.gz KIHLFSYUGJGAFS-CIAFKFPVSA-N 1 3 334.463 3.040 50 0 EGAAHO CC1(C)CC(N2CCC[C@@H](OCc3cccnc3)C2)CC(C)(C)[NH2+]1 ZINC000067965681 215262158 /nfs/dbraw/zinc/26/21/58/215262158.db2.gz LSLRTFMXGCNZLU-GOSISDBHSA-N 1 3 331.504 3.372 50 0 EGAAHO CC1(C)CC([N@@H+]2CCC[C@@H](OCc3cccnc3)C2)CC(C)(C)N1 ZINC000067965681 215262160 /nfs/dbraw/zinc/26/21/60/215262160.db2.gz LSLRTFMXGCNZLU-GOSISDBHSA-N 1 3 331.504 3.372 50 0 EGAAHO CC1(C)CC([N@H+]2CCC[C@@H](OCc3cccnc3)C2)CC(C)(C)N1 ZINC000067965681 215262164 /nfs/dbraw/zinc/26/21/64/215262164.db2.gz LSLRTFMXGCNZLU-GOSISDBHSA-N 1 3 331.504 3.372 50 0 EGAAHO CC(C)Oc1cccc(C[NH+]2CCC([C@H](C)N3CCOCC3)CC2)c1 ZINC000072480339 216260820 /nfs/dbraw/zinc/26/08/20/216260820.db2.gz NAFVYOFYIXSUNS-SFHVURJKSA-N 1 3 346.515 3.407 50 0 EGAAHO C[C@H](C1CCN(C/C=C/c2ccc(F)cc2)CC1)[NH+]1CCN(C)CC1 ZINC000077538171 454119464 /nfs/dbraw/zinc/11/94/64/454119464.db2.gz VIIVEBRMAPYYJR-OAJJDEHYSA-N 1 3 345.506 3.187 50 0 EGAAHO c1cn(C[C@H]2CCC[N@H+](Cc3cc(CN4CCCC4)cs3)C2)cn1 ZINC000097730026 219051737 /nfs/dbraw/zinc/05/17/37/219051737.db2.gz LXCINOWOSVEDIR-KRWDZBQOSA-N 1 3 344.528 3.453 50 0 EGAAHO c1cn(C[C@H]2CCC[N@@H+](Cc3cc(CN4CCCC4)cs3)C2)cn1 ZINC000097730026 219051740 /nfs/dbraw/zinc/05/17/40/219051740.db2.gz LXCINOWOSVEDIR-KRWDZBQOSA-N 1 3 344.528 3.453 50 0 EGAAHO Cc1nc2ccccn2c1CN1CCC([C@H](C)[NH+]2CCCC2)CC1 ZINC000072410801 216202977 /nfs/dbraw/zinc/20/29/77/216202977.db2.gz HVULPKCTIDCLRZ-KRWDZBQOSA-N 1 3 326.488 3.339 50 0 EGAAHO Cc1cc(C)n(CCCN2CC[C@@]3(C2)CCC[N@H+](CC2CCC2)C3)n1 ZINC000014957279 453549057 /nfs/dbraw/zinc/54/90/57/453549057.db2.gz NLIRDXXEGDWVRM-OAQYLSRUSA-N 1 3 344.547 3.478 50 0 EGAAHO Cc1cc(C)n(CCCN2CC[C@@]3(C2)CCC[N@@H+](CC2CCC2)C3)n1 ZINC000014957279 453549071 /nfs/dbraw/zinc/54/90/71/453549071.db2.gz NLIRDXXEGDWVRM-OAQYLSRUSA-N 1 3 344.547 3.478 50 0 EGAAHO Cc1cc(C)n(CCC[N@@H+]2CC[C@@]3(C2)CCCN(CC2CCC2)C3)n1 ZINC000014957279 453549077 /nfs/dbraw/zinc/54/90/77/453549077.db2.gz NLIRDXXEGDWVRM-OAQYLSRUSA-N 1 3 344.547 3.478 50 0 EGAAHO Cc1cc(C)n(CCC[N@H+]2CC[C@@]3(C2)CCCN(CC2CCC2)C3)n1 ZINC000014957279 453549079 /nfs/dbraw/zinc/54/90/79/453549079.db2.gz NLIRDXXEGDWVRM-OAQYLSRUSA-N 1 3 344.547 3.478 50 0 EGAAHO C[C@@H](C1CC[NH+](C/C=C/c2ccc(F)cc2)CC1)N1CCOCC1 ZINC000072412426 216205499 /nfs/dbraw/zinc/20/54/99/216205499.db2.gz VNCADAUBZDBHLA-YATRRXNKSA-N 1 3 332.463 3.272 50 0 EGAAHO C[C@@H](c1cccc(CN2CCC(c3nccn3C)CC2)c1)[NH+](C)C ZINC000215243809 241114209 /nfs/dbraw/zinc/11/42/09/241114209.db2.gz CGBYOASCWYRZAU-INIZCTEOSA-N 1 3 326.488 3.422 50 0 EGAAHO C[N@H+](C[C@@H](O)COc1ccccc1CNC1CCC1)C1CCCCC1 ZINC000012459526 211387985 /nfs/dbraw/zinc/38/79/85/211387985.db2.gz FKQWGJDMBUMQBA-HXUWFJFHSA-N 1 3 346.515 3.333 50 0 EGAAHO C[N@@H+](C[C@@H](O)COc1ccccc1CNC1CCC1)C1CCCCC1 ZINC000012459526 211387990 /nfs/dbraw/zinc/38/79/90/211387990.db2.gz FKQWGJDMBUMQBA-HXUWFJFHSA-N 1 3 346.515 3.333 50 0 EGAAHO CCN(C)Cc1cccc(OC[C@H](O)C[N@H+](C)C2CCCCC2)c1 ZINC000012574013 453375789 /nfs/dbraw/zinc/37/57/89/453375789.db2.gz TYEIQDOTVRJMIY-LJQANCHMSA-N 1 3 334.504 3.143 50 0 EGAAHO CCN(C)Cc1cccc(OC[C@H](O)C[N@@H+](C)C2CCCCC2)c1 ZINC000012574013 453375803 /nfs/dbraw/zinc/37/58/03/453375803.db2.gz TYEIQDOTVRJMIY-LJQANCHMSA-N 1 3 334.504 3.143 50 0 EGAAHO Cc1nc([C@H]2CCCN(Cc3ccco3)C2)n(-c2cc[nH+]c(C)c2)n1 ZINC000065499813 454578443 /nfs/dbraw/zinc/57/84/43/454578443.db2.gz DZJQHAIQILZYDO-INIZCTEOSA-N 1 3 337.427 3.252 50 0 EGAAHO CN(C)Cc1ccccc1CNC(=O)C1([NH+]2CCCC2)CCCCC1 ZINC000223946467 456063243 /nfs/dbraw/zinc/06/32/43/456063243.db2.gz JMEPRLPTIADTIZ-UHFFFAOYSA-N 1 3 343.515 3.163 50 0 EGAAHO Cc1ccc(C2(CN(C)Cc3cc(C)cc(C)n3)CC[NH2+]CC2)nc1 ZINC000067878524 215237752 /nfs/dbraw/zinc/23/77/52/215237752.db2.gz NMFLEWXPMNECPE-UHFFFAOYSA-N 1 3 338.499 3.155 50 0 EGAAHO COc1cc(CN2CCC3(CC2)CCC[N@H+](C)CC3)cc2c1OCO2 ZINC000067956241 215260266 /nfs/dbraw/zinc/26/02/66/215260266.db2.gz AIHJLKPDSVAESV-UHFFFAOYSA-N 1 3 346.471 3.122 50 0 EGAAHO COc1cc(CN2CCC3(CC2)CCC[N@@H+](C)CC3)cc2c1OCO2 ZINC000067956241 215260270 /nfs/dbraw/zinc/26/02/70/215260270.db2.gz AIHJLKPDSVAESV-UHFFFAOYSA-N 1 3 346.471 3.122 50 0 EGAAHO CN1CCC(C[N@@H+]2CC[C@@H](c3ccc4ccccc4c3)[C@H](O)C2)CC1 ZINC000067966603 215262081 /nfs/dbraw/zinc/26/20/81/215262081.db2.gz MLTCIMYQQALRDN-FCHUYYIVSA-N 1 3 338.495 3.332 50 0 EGAAHO CN1CCC(C[N@H+]2CC[C@@H](c3ccc4ccccc4c3)[C@H](O)C2)CC1 ZINC000067966603 215262084 /nfs/dbraw/zinc/26/20/84/215262084.db2.gz MLTCIMYQQALRDN-FCHUYYIVSA-N 1 3 338.495 3.332 50 0 EGAAHO CN(C)Cc1ccc(C(=O)NC2(C[NH+]3CCCC3)CCCCC2)cc1 ZINC000097334173 219012776 /nfs/dbraw/zinc/01/27/76/219012776.db2.gz OSBIPGIGUYEXAJ-UHFFFAOYSA-N 1 3 343.515 3.277 50 0 EGAAHO CCCCc1ccc(CN2CCC3(CC2)C[N@H+](C)CCN3C)s1 ZINC000067642470 215171994 /nfs/dbraw/zinc/17/19/94/215171994.db2.gz BSHZJKNLFRBMMQ-UHFFFAOYSA-N 1 3 335.561 3.303 50 0 EGAAHO CCCCc1ccc(CN2CCC3(CC2)C[N@@H+](C)CCN3C)s1 ZINC000067642470 215171996 /nfs/dbraw/zinc/17/19/96/215171996.db2.gz BSHZJKNLFRBMMQ-UHFFFAOYSA-N 1 3 335.561 3.303 50 0 EGAAHO C[NH+](C)C[C@@]1(O)CCCN(Cc2ccc(OC3CCCC3)cc2)CC1 ZINC000072134661 216023714 /nfs/dbraw/zinc/02/37/14/216023714.db2.gz JQDJUULYVWUMEM-OAQYLSRUSA-N 1 3 346.515 3.287 50 0 EGAAHO [NH3+]CCc1ccc(CN2CCC([C@H](O)Cc3ccccc3)CC2)cc1 ZINC000072477456 216255287 /nfs/dbraw/zinc/25/52/87/216255287.db2.gz CUHCXSGTMWTJLE-JOCHJYFZSA-N 1 3 338.495 3.003 50 0 EGAAHO COC(=O)CC[C@H]1C[N@H+](CC2=CC[C@H]3C[C@@H]2C3(C)C)CC[C@H]1N(C)C ZINC000014960432 453549133 /nfs/dbraw/zinc/54/91/33/453549133.db2.gz IENIYPZLXRDTIM-CADBVGFASA-N 1 3 348.531 3.184 50 0 EGAAHO COC(=O)CC[C@H]1C[N@@H+](CC2=CC[C@H]3C[C@@H]2C3(C)C)CC[C@H]1N(C)C ZINC000014960432 453549137 /nfs/dbraw/zinc/54/91/37/453549137.db2.gz IENIYPZLXRDTIM-CADBVGFASA-N 1 3 348.531 3.184 50 0 EGAAHO CN1CC[N@H+](C)C2(CCN(c3ccnc4cc(Cl)ccc43)CC2)C1 ZINC000067786466 453965841 /nfs/dbraw/zinc/96/58/41/453965841.db2.gz RSKYKWRWZIJRKI-UHFFFAOYSA-N 1 3 344.890 3.104 50 0 EGAAHO CN1CC[N@@H+](C)C2(CCN(c3ccnc4cc(Cl)ccc43)CC2)C1 ZINC000067786466 453965843 /nfs/dbraw/zinc/96/58/43/453965843.db2.gz RSKYKWRWZIJRKI-UHFFFAOYSA-N 1 3 344.890 3.104 50 0 EGAAHO CCc1ncc(CN(C)CC2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000215028174 241102460 /nfs/dbraw/zinc/10/24/60/241102460.db2.gz WAVACKKESPUFOH-UHFFFAOYSA-N 1 3 338.499 3.383 50 0 EGAAHO C[N@H+](C[C@H]1CCOC1)CC1CCN(CCc2cccc(F)c2)CC1 ZINC000012386107 211365304 /nfs/dbraw/zinc/36/53/04/211365304.db2.gz KOGFYCDIOQOHME-LJQANCHMSA-N 1 3 334.479 3.049 50 0 EGAAHO C[N@@H+](C[C@H]1CCOC1)CC1CCN(CCc2cccc(F)c2)CC1 ZINC000012386107 211365308 /nfs/dbraw/zinc/36/53/08/211365308.db2.gz KOGFYCDIOQOHME-LJQANCHMSA-N 1 3 334.479 3.049 50 0 EGAAHO COCCN1CCC2(CC1)C[C@@H](c1ccccc1)C[N@@H+](C1CC1)C2 ZINC000095376741 218308755 /nfs/dbraw/zinc/30/87/55/218308755.db2.gz GRFCDKVQFWJVKD-LJQANCHMSA-N 1 3 328.500 3.367 50 0 EGAAHO COCCN1CCC2(CC1)C[C@@H](c1ccccc1)C[N@H+](C1CC1)C2 ZINC000095376741 218308758 /nfs/dbraw/zinc/30/87/58/218308758.db2.gz GRFCDKVQFWJVKD-LJQANCHMSA-N 1 3 328.500 3.367 50 0 EGAAHO CCCN1CC[C@H](NC(=O)c2cccc(C[NH+]3CCCCCC3)c2)C1 ZINC000218862692 534956948 /nfs/dbraw/zinc/95/69/48/534956948.db2.gz ZXVPGERXZFEWML-FQEVSTJZSA-N 1 3 343.515 3.277 50 0 EGAAHO CC1(C)CC(N2CCC[C@H](OCc3cccnc3)C2)CC(C)(C)[NH2+]1 ZINC000067965680 215263133 /nfs/dbraw/zinc/26/31/33/215263133.db2.gz LSLRTFMXGCNZLU-SFHVURJKSA-N 1 3 331.504 3.372 50 0 EGAAHO CC1(C)CC([N@@H+]2CCC[C@H](OCc3cccnc3)C2)CC(C)(C)N1 ZINC000067965680 215263138 /nfs/dbraw/zinc/26/31/38/215263138.db2.gz LSLRTFMXGCNZLU-SFHVURJKSA-N 1 3 331.504 3.372 50 0 EGAAHO CC1(C)CC([N@H+]2CCC[C@H](OCc3cccnc3)C2)CC(C)(C)N1 ZINC000067965680 215263141 /nfs/dbraw/zinc/26/31/41/215263141.db2.gz LSLRTFMXGCNZLU-SFHVURJKSA-N 1 3 331.504 3.372 50 0 EGAAHO NC[C@H]1CC[N@@H+](C2CCN(c3ccc(-c4ccco4)cc3)CC2)C1 ZINC000019953426 453660548 /nfs/dbraw/zinc/66/05/48/453660548.db2.gz QBYGIQHUJDCEQF-MRXNPFEDSA-N 1 3 325.456 3.196 50 0 EGAAHO NC[C@H]1CC[N@H+](C2CCN(c3ccc(-c4ccco4)cc3)CC2)C1 ZINC000019953426 453660551 /nfs/dbraw/zinc/66/05/51/453660551.db2.gz QBYGIQHUJDCEQF-MRXNPFEDSA-N 1 3 325.456 3.196 50 0 EGAAHO FC(F)(F)c1ccc(C[NH2+]C[C@@H]2CCCN3CCCC[C@H]23)cn1 ZINC000055042302 214266506 /nfs/dbraw/zinc/26/65/06/214266506.db2.gz YASDNYAIVIAPFZ-LSDHHAIUSA-N 1 3 327.394 3.455 50 0 EGAAHO Cc1nc(-c2ccc([C@H]3CCC[NH2+]3)s2)n(-c2ccnc(C)c2)n1 ZINC000067846956 215228812 /nfs/dbraw/zinc/22/88/12/215228812.db2.gz KAVSYCICEUTQJO-CQSZACIVSA-N 1 3 325.441 3.432 50 0 EGAAHO OC[C@H]1C[N@H+](Cc2cc3ccccc3s2)C[C@H]1CN1CCCC1 ZINC000091985586 218098247 /nfs/dbraw/zinc/09/82/47/218098247.db2.gz QJQFWWAJCUDJFH-IAGOWNOFSA-N 1 3 330.497 3.037 50 0 EGAAHO OC[C@H]1C[N@@H+](Cc2cc3ccccc3s2)C[C@H]1CN1CCCC1 ZINC000091985586 218098248 /nfs/dbraw/zinc/09/82/48/218098248.db2.gz QJQFWWAJCUDJFH-IAGOWNOFSA-N 1 3 330.497 3.037 50 0 EGAAHO Cc1ccc(CN2CCC(C[NH2+]C3CSCCSC3)CC2)o1 ZINC000584903184 459821507 /nfs/dbraw/zinc/82/15/07/459821507.db2.gz GPJAQNCUEDWNSZ-UHFFFAOYSA-N 1 3 340.558 3.238 50 0 EGAAHO CCCN1CC[C@@H](NC(=O)c2cccc(C[NH+]3CCCCCC3)c2)C1 ZINC000218862619 534949601 /nfs/dbraw/zinc/94/96/01/534949601.db2.gz ZXVPGERXZFEWML-HXUWFJFHSA-N 1 3 343.515 3.277 50 0 EGAAHO [NH3+]CCc1ccc(CN2CCCN(c3ccc(F)cc3)CC2)cc1 ZINC000072134508 216023779 /nfs/dbraw/zinc/02/37/79/216023779.db2.gz GSUNOHZPWJULTL-UHFFFAOYSA-N 1 3 327.447 3.039 50 0 EGAAHO CCC[C@@H]1CN(Cc2cc(C[NH+]3CCCC3)cs2)C[C@H]1NC(C)=O ZINC000082100527 453923741 /nfs/dbraw/zinc/92/37/41/453923741.db2.gz UYHHXWKBBZSBDG-IEBWSBKVSA-N 1 3 349.544 3.081 50 0 EGAAHO C[C@@H](C[NH+]1CCCCC1)C(=O)Nc1ccccc1CN1CCCC1 ZINC000952861783 1334583346 /nfs/dbraw/zinc/58/33/46/1334583346.db2.gz KIVIRGAHJIHVAE-KRWDZBQOSA-N 1 3 329.488 3.343 50 0 EGAAHO CN(CCc1ccccn1)Cc1ccc(OC[C@@H]2CCC[NH2+]C2)cc1 ZINC000299796644 258101271 /nfs/dbraw/zinc/10/12/71/258101271.db2.gz NVROHKOKFFDYGI-LJQANCHMSA-N 1 3 339.483 3.135 50 0 EGAAHO [NH3+]C1CCN(C2CCN(c3ccc(-c4ccco4)cc3)CC2)CC1 ZINC000063881644 454457787 /nfs/dbraw/zinc/45/77/87/454457787.db2.gz JPMNNVYYXJTYQB-UHFFFAOYSA-N 1 3 325.456 3.339 50 0 EGAAHO C[C@@H](c1cccc(CN2CCN(C3CCSCC3)CC2)c1)[NH+](C)C ZINC000216300208 456029616 /nfs/dbraw/zinc/02/96/16/456029616.db2.gz HXBXPLHOAXLRIC-KRWDZBQOSA-N 1 3 347.572 3.322 50 0 EGAAHO Cc1c[nH+]ccc1NCCNCc1ccccc1OC1CCCC1 ZINC000952972137 1334627420 /nfs/dbraw/zinc/62/74/20/1334627420.db2.gz AZVFPZYTUZKYIP-UHFFFAOYSA-N 1 3 325.456 3.335 50 0 EGAAHO CC1(C)CC([N@@H+]2CC[C@H](CNC(=O)c3ccsc3)C2)CC(C)(C)N1 ZINC000067834375 215225114 /nfs/dbraw/zinc/22/51/14/215225114.db2.gz UBTPTXKOJPWCST-CQSZACIVSA-N 1 3 349.544 3.109 50 0 EGAAHO CC1(C)CC([N@H+]2CC[C@H](CNC(=O)c3ccsc3)C2)CC(C)(C)N1 ZINC000067834375 215225115 /nfs/dbraw/zinc/22/51/15/215225115.db2.gz UBTPTXKOJPWCST-CQSZACIVSA-N 1 3 349.544 3.109 50 0 EGAAHO C[C@H](c1cccc(CN2CCC(c3nccn3C)CC2)c1)[NH+](C)C ZINC000215243857 241113262 /nfs/dbraw/zinc/11/32/62/241113262.db2.gz CGBYOASCWYRZAU-MRXNPFEDSA-N 1 3 326.488 3.422 50 0 EGAAHO N[C@H](Cc1ccccc1)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000262672906 245111281 /nfs/dbraw/zinc/11/12/81/245111281.db2.gz RVXVEAVGNAPMQK-HXUWFJFHSA-N 1 3 337.467 3.181 50 0 EGAAHO COCC[N@H+](CC1CC1)CC1CCN(Cc2ccccc2F)CC1 ZINC000012073064 211286536 /nfs/dbraw/zinc/28/65/36/211286536.db2.gz IVXFYDQUZOVQJM-UHFFFAOYSA-N 1 3 334.479 3.396 50 0 EGAAHO COCC[N@@H+](CC1CC1)CC1CCN(Cc2ccccc2F)CC1 ZINC000012073064 211286537 /nfs/dbraw/zinc/28/65/37/211286537.db2.gz IVXFYDQUZOVQJM-UHFFFAOYSA-N 1 3 334.479 3.396 50 0 EGAAHO C[NH+](C)CCCOc1cccc(CN2CC[C@@]3(O)CCCC[C@H]3C2)c1 ZINC000097522643 219032232 /nfs/dbraw/zinc/03/22/32/219032232.db2.gz HSYIRWQSWBKVAO-FPOVZHCZSA-N 1 3 346.515 3.144 50 0 EGAAHO c1ccc(CCN2CCN(C[C@@H]3CCC[N@@H+]4CCCC[C@H]34)CC2)cc1 ZINC000299790437 258096348 /nfs/dbraw/zinc/09/63/48/258096348.db2.gz BORNTARIDQJJRS-FCHUYYIVSA-N 1 3 341.543 3.111 50 0 EGAAHO c1ccc(CCN2CCN(C[C@@H]3CCC[N@H+]4CCCC[C@H]34)CC2)cc1 ZINC000299790437 258096349 /nfs/dbraw/zinc/09/63/49/258096349.db2.gz BORNTARIDQJJRS-FCHUYYIVSA-N 1 3 341.543 3.111 50 0 EGAAHO c1ccc(CCN2CC[NH+](C[C@@H]3CCCN4CCCC[C@H]34)CC2)cc1 ZINC000299790437 258096351 /nfs/dbraw/zinc/09/63/51/258096351.db2.gz BORNTARIDQJJRS-FCHUYYIVSA-N 1 3 341.543 3.111 50 0 EGAAHO CC(C)CCN(C)C(=O)[C@H]1CCCN(C2CC[NH+](C(C)C)CC2)C1 ZINC000012701725 453392300 /nfs/dbraw/zinc/39/23/00/453392300.db2.gz SVIJTTUWHFSSCW-SFHVURJKSA-N 1 3 337.552 3.076 50 0 EGAAHO C[C@@H](C1CCN(C/C=C/c2ccc(F)cc2)CC1)[NH+]1CCN(C)CC1 ZINC000077538169 454119935 /nfs/dbraw/zinc/11/99/35/454119935.db2.gz VIIVEBRMAPYYJR-WHLIDYPQSA-N 1 3 345.506 3.187 50 0 EGAAHO CC(=O)Nc1ccc(CN2CCCN(c3cc[nH+]cc3C)CC2)cc1 ZINC000065530370 454585015 /nfs/dbraw/zinc/58/50/15/454585015.db2.gz MSHKGFPZQVOCAR-UHFFFAOYSA-N 1 3 338.455 3.061 50 0 EGAAHO CC1(C)CC([N@@H+]2CC[C@@H](CNC(=O)c3ccsc3)C2)CC(C)(C)N1 ZINC000067834376 215224407 /nfs/dbraw/zinc/22/44/07/215224407.db2.gz UBTPTXKOJPWCST-AWEZNQCLSA-N 1 3 349.544 3.109 50 0 EGAAHO CC1(C)CC([N@H+]2CC[C@@H](CNC(=O)c3ccsc3)C2)CC(C)(C)N1 ZINC000067834376 215224411 /nfs/dbraw/zinc/22/44/11/215224411.db2.gz UBTPTXKOJPWCST-AWEZNQCLSA-N 1 3 349.544 3.109 50 0 EGAAHO C[NH+](C)C[C@@]1(O)CCCN(Cc2ccc(-c3ccco3)cc2)CC1 ZINC000072152387 216041049 /nfs/dbraw/zinc/04/10/49/216041049.db2.gz GPAPYYIPRUMVQR-HXUWFJFHSA-N 1 3 328.456 3.225 50 0 EGAAHO Cc1ccc2ncccc2c1C[NH+]1CCC(OCCN(C)C)CC1 ZINC000215344679 241121290 /nfs/dbraw/zinc/12/12/90/241121290.db2.gz JGLZYPKYWJIMTF-UHFFFAOYSA-N 1 3 327.472 3.086 50 0 EGAAHO c1c[nH]c([C@H]2CCC[N@@H+](Cc3cc(CN4CCCC4)cs3)C2)n1 ZINC000244874238 243091691 /nfs/dbraw/zinc/09/16/91/243091691.db2.gz WXBXTJLKGCBEHJ-INIZCTEOSA-N 1 3 330.501 3.447 50 0 EGAAHO c1c[nH]c([C@H]2CCC[N@H+](Cc3cc(CN4CCCC4)cs3)C2)n1 ZINC000244874238 243091694 /nfs/dbraw/zinc/09/16/94/243091694.db2.gz WXBXTJLKGCBEHJ-INIZCTEOSA-N 1 3 330.501 3.447 50 0 EGAAHO C[N@H+](C[C@@H]1CCOC1)CC1CCN(CCc2cccc(F)c2)CC1 ZINC000012386106 211365483 /nfs/dbraw/zinc/36/54/83/211365483.db2.gz KOGFYCDIOQOHME-IBGZPJMESA-N 1 3 334.479 3.049 50 0 EGAAHO C[N@@H+](C[C@@H]1CCOC1)CC1CCN(CCc2cccc(F)c2)CC1 ZINC000012386106 211365485 /nfs/dbraw/zinc/36/54/85/211365485.db2.gz KOGFYCDIOQOHME-IBGZPJMESA-N 1 3 334.479 3.049 50 0 EGAAHO CC[N@H+](Cc1ccc(OC)c(CN2CCCC2)c1)C1CCOCC1 ZINC000097730259 285101245 /nfs/dbraw/zinc/10/12/45/285101245.db2.gz QOPPTWMBNOIDDZ-UHFFFAOYSA-N 1 3 332.488 3.292 50 0 EGAAHO CC[N@@H+](Cc1ccc(OC)c(CN2CCCC2)c1)C1CCOCC1 ZINC000097730259 285101248 /nfs/dbraw/zinc/10/12/48/285101248.db2.gz QOPPTWMBNOIDDZ-UHFFFAOYSA-N 1 3 332.488 3.292 50 0 EGAAHO CCC(CC)CN1CCOc2ccc([C@](C)(O)C[NH+](C)C)cc2C1 ZINC000011997068 453339241 /nfs/dbraw/zinc/33/92/41/453339241.db2.gz NYRMWBQOQUEFKV-HXUWFJFHSA-N 1 3 334.504 3.086 50 0 EGAAHO Cc1cccc(CN2CCC[C@]3(CC[N@@H+](C4CCN(C)CC4)C3)C2)c1 ZINC000012591908 453379278 /nfs/dbraw/zinc/37/92/78/453379278.db2.gz LVPGFQHGXRMEAV-QFIPXVFZSA-N 1 3 341.543 3.377 50 0 EGAAHO Cc1cccc(CN2CCC[C@]3(CC[N@H+](C4CCN(C)CC4)C3)C2)c1 ZINC000012591908 453379281 /nfs/dbraw/zinc/37/92/81/453379281.db2.gz LVPGFQHGXRMEAV-QFIPXVFZSA-N 1 3 341.543 3.377 50 0 EGAAHO C[C@@H](C1CC[NH+](Cc2ccnc3ccccc23)CC1)N1CCOCC1 ZINC000065508942 454580255 /nfs/dbraw/zinc/58/02/55/454580255.db2.gz INRXGXNEBAVSSF-KRWDZBQOSA-N 1 3 339.483 3.168 50 0 EGAAHO C[NH+](C)CCOc1ccccc1CN1CCC2(CCOCC2)CC1 ZINC000072137202 216025468 /nfs/dbraw/zinc/02/54/68/216025468.db2.gz GKEMKYHKJKGOGC-UHFFFAOYSA-N 1 3 332.488 3.020 50 0 EGAAHO CCC(CC)CN1CCOc2ccc([C@@](C)(O)C[NH+](C)C)cc2C1 ZINC000011997065 211277459 /nfs/dbraw/zinc/27/74/59/211277459.db2.gz NYRMWBQOQUEFKV-FQEVSTJZSA-N 1 3 334.504 3.086 50 0 EGAAHO Cc1ccc(CN2CCC(C[N@@H+](C)Cc3ccc(CO)o3)CC2)o1 ZINC000011814549 211249879 /nfs/dbraw/zinc/24/98/79/211249879.db2.gz YBUQCKFKTQGPIT-UHFFFAOYSA-N 1 3 332.444 3.017 50 0 EGAAHO Cc1ccc(CN2CCC(C[N@H+](C)Cc3ccc(CO)o3)CC2)o1 ZINC000011814549 211249884 /nfs/dbraw/zinc/24/98/84/211249884.db2.gz YBUQCKFKTQGPIT-UHFFFAOYSA-N 1 3 332.444 3.017 50 0 EGAAHO COc1ccc(CN2CCC[C@H]([NH+](C)C)CC2)cc1CN1CCCC1 ZINC000097547803 219034747 /nfs/dbraw/zinc/03/47/47/219034747.db2.gz ZEKKNJWZANNUCZ-FQEVSTJZSA-N 1 3 345.531 3.207 50 0 EGAAHO CN(C)C[C@H]1C[C@H](CO)C[N@H+](Cc2ccccc2-c2ccccc2)C1 ZINC000091461288 454438919 /nfs/dbraw/zinc/43/89/19/454438919.db2.gz AAIZVPCQHYTHAO-MOPGFXCFSA-N 1 3 338.495 3.346 50 0 EGAAHO CN(C)C[C@H]1C[C@H](CO)C[N@@H+](Cc2ccccc2-c2ccccc2)C1 ZINC000091461288 454438922 /nfs/dbraw/zinc/43/89/22/454438922.db2.gz AAIZVPCQHYTHAO-MOPGFXCFSA-N 1 3 338.495 3.346 50 0 EGAAHO C[NH+](C)C[C@H]1C[C@H](CO)CN(Cc2ccccc2-c2ccccc2)C1 ZINC000091461288 454438925 /nfs/dbraw/zinc/43/89/25/454438925.db2.gz AAIZVPCQHYTHAO-MOPGFXCFSA-N 1 3 338.495 3.346 50 0 EGAAHO C[N@@H+]1CCCC2(CCN(C3CCN(Cc4ccco4)CC3)CC2)CC1 ZINC000067654316 215174948 /nfs/dbraw/zinc/17/49/48/215174948.db2.gz FRRFUBAXAFJFEZ-UHFFFAOYSA-N 1 3 345.531 3.442 50 0 EGAAHO C[N@H+]1CCCC2(CCN(C3CCN(Cc4ccco4)CC3)CC2)CC1 ZINC000067654316 215174950 /nfs/dbraw/zinc/17/49/50/215174950.db2.gz FRRFUBAXAFJFEZ-UHFFFAOYSA-N 1 3 345.531 3.442 50 0 EGAAHO C[C@@H](NC1CCC2(CC[NH2+]CC2)CC1)c1nc(-c2ccccn2)no1 ZINC000067804636 215216206 /nfs/dbraw/zinc/21/62/06/215216206.db2.gz IAHUGOIPLBYFBQ-CQSZACIVSA-N 1 3 341.459 3.095 50 0 EGAAHO CCn1ccc2c1cccc2CN1CCC(O)(C[NH+]2CCCC2)CC1 ZINC000215093772 241105065 /nfs/dbraw/zinc/10/50/65/241105065.db2.gz LCUJRBIUBRTCGG-UHFFFAOYSA-N 1 3 341.499 3.084 50 0 EGAAHO Cc1cc(C)n(-c2ccccc2C[N@H+]2CCC[C@@H](N(C)C)CC2)n1 ZINC000244602002 243043643 /nfs/dbraw/zinc/04/36/43/243043643.db2.gz DVXGNXVLXBAWSB-LJQANCHMSA-N 1 3 326.488 3.405 50 0 EGAAHO Cc1cc(C)n(-c2ccccc2C[N@@H+]2CCC[C@@H](N(C)C)CC2)n1 ZINC000244602002 243043648 /nfs/dbraw/zinc/04/36/48/243043648.db2.gz DVXGNXVLXBAWSB-LJQANCHMSA-N 1 3 326.488 3.405 50 0 EGAAHO CSc1ccccc1CN1CCC([C@H](C)[NH+]2CCN(C)CC2)CC1 ZINC000077520715 454116859 /nfs/dbraw/zinc/11/68/59/454116859.db2.gz WWVURKRJSNVEMO-KRWDZBQOSA-N 1 3 347.572 3.256 50 0 EGAAHO Cc1ccc(C[NH+]2CCC([C@H](C)N3CCN(C)CC3)CC2)cc1C ZINC000065508249 454580813 /nfs/dbraw/zinc/58/08/13/454580813.db2.gz BKLPZSAKVBTDKG-IBGZPJMESA-N 1 3 329.532 3.151 50 0 EGAAHO Cc1ccc(CN2CCC([C@H](C)[NH+]3CCN(C)CC3)CC2)cc1C ZINC000065508249 454580816 /nfs/dbraw/zinc/58/08/16/454580816.db2.gz BKLPZSAKVBTDKG-IBGZPJMESA-N 1 3 329.532 3.151 50 0 EGAAHO Cc1cc(NC[C@@H](c2ccc(F)cc2)N2CCCCC2)nc(N)[nH+]1 ZINC000091724629 218053209 /nfs/dbraw/zinc/05/32/09/218053209.db2.gz LWNNGERRCBLOOC-INIZCTEOSA-N 1 3 329.423 3.145 50 0 EGAAHO CCCCc1ccc(CN2CCN(C)C3(CC[NH+](C)CC3)C2)s1 ZINC000067965255 453984677 /nfs/dbraw/zinc/98/46/77/453984677.db2.gz OBBNSLWJOHFMBZ-UHFFFAOYSA-N 1 3 335.561 3.303 50 0 EGAAHO CSc1cccc(CN2CCC([C@H](C)[NH+]3CCN(C)CC3)CC2)c1 ZINC000077406430 454102822 /nfs/dbraw/zinc/10/28/22/454102822.db2.gz DPLRSPXYHGWOPA-KRWDZBQOSA-N 1 3 347.572 3.256 50 0 EGAAHO Cc1ccc(C[NH+]2CCC([C@@H](C)N3CCN(C)CC3)CC2)cc1C ZINC000065508247 454580216 /nfs/dbraw/zinc/58/02/16/454580216.db2.gz BKLPZSAKVBTDKG-LJQANCHMSA-N 1 3 329.532 3.151 50 0 EGAAHO Cc1ccc(CN2CCC([C@@H](C)[NH+]3CCN(C)CC3)CC2)cc1C ZINC000065508247 454580221 /nfs/dbraw/zinc/58/02/21/454580221.db2.gz BKLPZSAKVBTDKG-LJQANCHMSA-N 1 3 329.532 3.151 50 0 EGAAHO COC[C@H]1CC[N@H+](Cc2ccccc2OCCN2CCCCC2)C1 ZINC000215799724 241148346 /nfs/dbraw/zinc/14/83/46/241148346.db2.gz SYKSKLMVLFEPPN-SFHVURJKSA-N 1 3 332.488 3.020 50 0 EGAAHO COC[C@H]1CC[N@@H+](Cc2ccccc2OCCN2CCCCC2)C1 ZINC000215799724 241148352 /nfs/dbraw/zinc/14/83/52/241148352.db2.gz SYKSKLMVLFEPPN-SFHVURJKSA-N 1 3 332.488 3.020 50 0 EGAAHO COc1ccc(CN2CCC[C@@H]([NH+](C)C)CC2)cc1CN1CCCC1 ZINC000097547801 219034151 /nfs/dbraw/zinc/03/41/51/219034151.db2.gz ZEKKNJWZANNUCZ-HXUWFJFHSA-N 1 3 345.531 3.207 50 0 EGAAHO Cc1cc(C)c2nccc(N3CCC4(CC3)C[N@@H+](C)CCN4C)c2c1 ZINC000067725180 453961100 /nfs/dbraw/zinc/96/11/00/453961100.db2.gz VOLRFKWBKROTMS-UHFFFAOYSA-N 1 3 338.499 3.068 50 0 EGAAHO Cc1cc(C)c2nccc(N3CCC4(CC3)C[N@H+](C)CCN4C)c2c1 ZINC000067725180 453961102 /nfs/dbraw/zinc/96/11/02/453961102.db2.gz VOLRFKWBKROTMS-UHFFFAOYSA-N 1 3 338.499 3.068 50 0 EGAAHO CC(C)C[N@@H+]1CCC[C@H](c2ccnc(SCCN3CCCC3)n2)C1 ZINC000011787934 211247534 /nfs/dbraw/zinc/24/75/34/211247534.db2.gz WOORULRDIGMUBI-KRWDZBQOSA-N 1 3 348.560 3.500 50 0 EGAAHO CC(C)C[N@H+]1CCC[C@H](c2ccnc(SCCN3CCCC3)n2)C1 ZINC000011787934 211247539 /nfs/dbraw/zinc/24/75/39/211247539.db2.gz WOORULRDIGMUBI-KRWDZBQOSA-N 1 3 348.560 3.500 50 0 EGAAHO CN(C)C[C@@H]1C[N@H+](Cc2ccc(Oc3ccccc3)cc2)C[C@@H]1CO ZINC000091474132 218011056 /nfs/dbraw/zinc/01/10/56/218011056.db2.gz RBEZXVSOFZROKE-RTBURBONSA-N 1 3 340.467 3.081 50 0 EGAAHO CN(C)C[C@@H]1C[N@@H+](Cc2ccc(Oc3ccccc3)cc2)C[C@@H]1CO ZINC000091474132 218011059 /nfs/dbraw/zinc/01/10/59/218011059.db2.gz RBEZXVSOFZROKE-RTBURBONSA-N 1 3 340.467 3.081 50 0 EGAAHO COc1ccc(CN2CC[C@](C)(O)C(C)(C)C2)cc1C[NH+]1CCCC1 ZINC000091965114 218096324 /nfs/dbraw/zinc/09/63/24/218096324.db2.gz HHNQVWHDTCVXNI-NRFANRHFSA-N 1 3 346.515 3.274 50 0 EGAAHO Cc1csc(-c2c(O)cn(C3CC(C)(C)[NH2+]C(C)(C)C3)c2N)n1 ZINC000102734841 219226851 /nfs/dbraw/zinc/22/68/51/219226851.db2.gz UZSUSTYLPRHVMH-UHFFFAOYSA-N 1 3 334.489 3.323 50 0 EGAAHO CC(C)N1CCN(CC[NH+]2CCC(c3ccccc3)CC2)C[C@@H]1C ZINC000020560677 212147930 /nfs/dbraw/zinc/14/79/30/212147930.db2.gz VMGXSAFRVRDTRG-IBGZPJMESA-N 1 3 329.532 3.281 50 0 EGAAHO CN(C(=O)CC[C@H]1CCC[N@H+](CC(C)(C)C)C1)C1CCN(C)CC1 ZINC000012028525 211281316 /nfs/dbraw/zinc/28/13/16/211281316.db2.gz OWOOHLJCWIWWID-QGZVFWFLSA-N 1 3 337.552 3.077 50 0 EGAAHO CN(C(=O)CC[C@H]1CCC[N@@H+](CC(C)(C)C)C1)C1CCN(C)CC1 ZINC000012028525 211281319 /nfs/dbraw/zinc/28/13/19/211281319.db2.gz OWOOHLJCWIWWID-QGZVFWFLSA-N 1 3 337.552 3.077 50 0 EGAAHO Cc1ccc2nccc(N3CCC([C@H](C)[NH+]4CCOCC4)CC3)c2c1 ZINC000095391779 218323806 /nfs/dbraw/zinc/32/38/06/218323806.db2.gz PTHOHRYIQGKWNI-KRWDZBQOSA-N 1 3 339.483 3.480 50 0 EGAAHO CC[C@@]1(O)CCC[N@H+](Cc2ccc(OC)c(CN3CCCC3)c2)C1 ZINC000215732820 456026689 /nfs/dbraw/zinc/02/66/89/456026689.db2.gz TYDBIMKCHZQPHE-HXUWFJFHSA-N 1 3 332.488 3.028 50 0 EGAAHO CC[C@@]1(O)CCC[N@@H+](Cc2ccc(OC)c(CN3CCCC3)c2)C1 ZINC000215732820 456026690 /nfs/dbraw/zinc/02/66/90/456026690.db2.gz TYDBIMKCHZQPHE-HXUWFJFHSA-N 1 3 332.488 3.028 50 0 EGAAHO C[N@@H+]1CCC2(C1)CCN(Cc1ccc(CCC(C)(C)O)cc1)CC2 ZINC000072409499 216201236 /nfs/dbraw/zinc/20/12/36/216201236.db2.gz KLWZWXLDHFHZTM-UHFFFAOYSA-N 1 3 330.516 3.308 50 0 EGAAHO C[N@H+]1CCC2(C1)CCN(Cc1ccc(CCC(C)(C)O)cc1)CC2 ZINC000072409499 216201238 /nfs/dbraw/zinc/20/12/38/216201238.db2.gz KLWZWXLDHFHZTM-UHFFFAOYSA-N 1 3 330.516 3.308 50 0 EGAAHO Cc1nccn1CCC[N@@H+](C)CCc1nc2ccc(Cl)cc2[nH]1 ZINC000244659684 243050279 /nfs/dbraw/zinc/05/02/79/243050279.db2.gz HHFFWCRHCMBCSM-UHFFFAOYSA-N 1 3 331.851 3.286 50 0 EGAAHO Cc1nccn1CCC[N@H+](C)CCc1nc2ccc(Cl)cc2[nH]1 ZINC000244659684 243050284 /nfs/dbraw/zinc/05/02/84/243050284.db2.gz HHFFWCRHCMBCSM-UHFFFAOYSA-N 1 3 331.851 3.286 50 0 EGAAHO CSc1cccc(CN2CCC[C@H](N(C)CCC[NH+](C)C)C2)c1 ZINC000020997387 202060837 /nfs/dbraw/zinc/06/08/37/202060837.db2.gz OGSQZKYKKRDDKY-SFHVURJKSA-N 1 3 335.561 3.256 50 0 EGAAHO CSc1cccc(CN2CCC[C@H]([N@H+](C)CCCN(C)C)C2)c1 ZINC000020997387 202060840 /nfs/dbraw/zinc/06/08/40/202060840.db2.gz OGSQZKYKKRDDKY-SFHVURJKSA-N 1 3 335.561 3.256 50 0 EGAAHO CSc1cccc(CN2CCC[C@H]([N@@H+](C)CCCN(C)C)C2)c1 ZINC000020997387 202060841 /nfs/dbraw/zinc/06/08/41/202060841.db2.gz OGSQZKYKKRDDKY-SFHVURJKSA-N 1 3 335.561 3.256 50 0 EGAAHO C[NH+](C)C[C@]1(O)CCCN(Cc2ccc(-c3ccco3)cc2)CC1 ZINC000072152386 203172794 /nfs/dbraw/zinc/17/27/94/203172794.db2.gz GPAPYYIPRUMVQR-FQEVSTJZSA-N 1 3 328.456 3.225 50 0 EGAAHO Cc1ccc2ccccc2c1C[N@@H+]1C[C@H](CO)[C@H](CN2CCCC2)C1 ZINC000091416431 454432929 /nfs/dbraw/zinc/43/29/29/454432929.db2.gz ISTQTPWUSLRZCH-WOJBJXKFSA-N 1 3 338.495 3.284 50 0 EGAAHO Cc1ccc2ccccc2c1C[N@H+]1C[C@H](CO)[C@H](CN2CCCC2)C1 ZINC000091416431 454432934 /nfs/dbraw/zinc/43/29/34/454432934.db2.gz ISTQTPWUSLRZCH-WOJBJXKFSA-N 1 3 338.495 3.284 50 0 EGAAHO Cc1ccc2ccccc2c1CN1C[C@H](CO)[C@H](C[NH+]2CCCC2)C1 ZINC000091416431 454432938 /nfs/dbraw/zinc/43/29/38/454432938.db2.gz ISTQTPWUSLRZCH-WOJBJXKFSA-N 1 3 338.495 3.284 50 0 EGAAHO CCN1CCC([NH2+][C@@H](CCn2ccnc2C)c2ccccc2)CC1 ZINC000670471489 548221348 /nfs/dbraw/zinc/22/13/48/548221348.db2.gz CHOKNSYTCIGECG-FQEVSTJZSA-N 1 3 326.488 3.397 50 0 EGAAHO CC[NH+]1CCC(N[C@@H](CCn2ccnc2C)c2ccccc2)CC1 ZINC000670471489 548221352 /nfs/dbraw/zinc/22/13/52/548221352.db2.gz CHOKNSYTCIGECG-FQEVSTJZSA-N 1 3 326.488 3.397 50 0 EGAAHO CCc1nccc(CN(C)CC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000216490173 241199332 /nfs/dbraw/zinc/19/93/32/241199332.db2.gz VEAYQACMQJDBEY-UHFFFAOYSA-N 1 3 338.499 3.383 50 0 EGAAHO COc1ccccc1OC1CCN(Cc2cccc(CC[NH3+])c2)CC1 ZINC000072424034 203220043 /nfs/dbraw/zinc/22/00/43/203220043.db2.gz JLKZBLVADTVMIK-UHFFFAOYSA-N 1 3 340.467 3.240 50 0 EGAAHO C[C@@H]1CCCC[N@@H+]1Cc1cccc(NC(=O)NCCN2CCCC2)c1 ZINC000095523852 287275787 /nfs/dbraw/zinc/27/57/87/287275787.db2.gz AGLPWZSJDDXOHQ-QGZVFWFLSA-N 1 3 344.503 3.278 50 0 EGAAHO C[C@@H]1CCCC[N@H+]1Cc1cccc(NC(=O)NCCN2CCCC2)c1 ZINC000095523852 287275790 /nfs/dbraw/zinc/27/57/90/287275790.db2.gz AGLPWZSJDDXOHQ-QGZVFWFLSA-N 1 3 344.503 3.278 50 0 EGAAHO Cc1ccc(NC(=O)CCN(C)C[C@H]2CC[N@H+](C)C2(C)C)cc1F ZINC000244811341 455277103 /nfs/dbraw/zinc/27/71/03/455277103.db2.gz SAURJMXVSSETMF-OAHLLOKOSA-N 1 3 335.467 3.125 50 0 EGAAHO Cc1ccc(NC(=O)CCN(C)C[C@H]2CC[N@@H+](C)C2(C)C)cc1F ZINC000244811341 455277105 /nfs/dbraw/zinc/27/71/05/455277105.db2.gz SAURJMXVSSETMF-OAHLLOKOSA-N 1 3 335.467 3.125 50 0 EGAAHO Cc1ccc(NC(=O)CC[N@@H+](C)C[C@H]2CCN(C)C2(C)C)cc1F ZINC000244811341 455277107 /nfs/dbraw/zinc/27/71/07/455277107.db2.gz SAURJMXVSSETMF-OAHLLOKOSA-N 1 3 335.467 3.125 50 0 EGAAHO Cc1ccc(NC(=O)CC[N@H+](C)C[C@H]2CCN(C)C2(C)C)cc1F ZINC000244811341 455277110 /nfs/dbraw/zinc/27/71/10/455277110.db2.gz SAURJMXVSSETMF-OAHLLOKOSA-N 1 3 335.467 3.125 50 0 EGAAHO Cc1cc(C)n(CCCN2CC[C@]3(C2)CCC[N@H+](CC2CCC2)C3)n1 ZINC000014957275 453549647 /nfs/dbraw/zinc/54/96/47/453549647.db2.gz NLIRDXXEGDWVRM-NRFANRHFSA-N 1 3 344.547 3.478 50 0 EGAAHO Cc1cc(C)n(CCCN2CC[C@]3(C2)CCC[N@@H+](CC2CCC2)C3)n1 ZINC000014957275 453549649 /nfs/dbraw/zinc/54/96/49/453549649.db2.gz NLIRDXXEGDWVRM-NRFANRHFSA-N 1 3 344.547 3.478 50 0 EGAAHO Cc1cc(C)n(CCC[N@@H+]2CC[C@]3(C2)CCCN(CC2CCC2)C3)n1 ZINC000014957275 453549652 /nfs/dbraw/zinc/54/96/52/453549652.db2.gz NLIRDXXEGDWVRM-NRFANRHFSA-N 1 3 344.547 3.478 50 0 EGAAHO Cc1cc(C)n(CCC[N@H+]2CC[C@]3(C2)CCCN(CC2CCC2)C3)n1 ZINC000014957275 453549654 /nfs/dbraw/zinc/54/96/54/453549654.db2.gz NLIRDXXEGDWVRM-NRFANRHFSA-N 1 3 344.547 3.478 50 0 EGAAHO COCC[N@@H+]1CCC[C@]2(CCN(Cc3cccc4cccnc43)C2)C1 ZINC000015069258 453554305 /nfs/dbraw/zinc/55/43/05/453554305.db2.gz SIWUTPCICILCTH-NRFANRHFSA-N 1 3 339.483 3.169 50 0 EGAAHO COCC[N@H+]1CCC[C@]2(CCN(Cc3cccc4cccnc43)C2)C1 ZINC000015069258 453554309 /nfs/dbraw/zinc/55/43/09/453554309.db2.gz SIWUTPCICILCTH-NRFANRHFSA-N 1 3 339.483 3.169 50 0 EGAAHO C[N@H+](C[C@H](O)COc1ccccc1CNC1CCC1)C1CCCCC1 ZINC000012459527 202145164 /nfs/dbraw/zinc/14/51/64/202145164.db2.gz FKQWGJDMBUMQBA-FQEVSTJZSA-N 1 3 346.515 3.333 50 0 EGAAHO C[N@@H+](C[C@H](O)COc1ccccc1CNC1CCC1)C1CCCCC1 ZINC000012459527 202145168 /nfs/dbraw/zinc/14/51/68/202145168.db2.gz FKQWGJDMBUMQBA-FQEVSTJZSA-N 1 3 346.515 3.333 50 0 EGAAHO COc1ccccc1OC1CCN(Cc2ccc(CC[NH3+])cc2)CC1 ZINC000072431022 203223277 /nfs/dbraw/zinc/22/32/77/203223277.db2.gz JZOVUUXYGKXAHK-UHFFFAOYSA-N 1 3 340.467 3.240 50 0 EGAAHO CC(C)Oc1ccc(CNCC[C@]2(O)C[C@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000004859448 452821326 /nfs/dbraw/zinc/82/13/26/452821326.db2.gz VTZLVAXMWLFFNO-UWVAXJGDSA-N 1 3 334.504 3.045 50 0 EGAAHO CC(C)Oc1ccc(CNCC[C@]2(O)C[C@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000004859448 452821332 /nfs/dbraw/zinc/82/13/32/452821332.db2.gz VTZLVAXMWLFFNO-UWVAXJGDSA-N 1 3 334.504 3.045 50 0 EGAAHO CO[C@H]1CCN(Cc2cccc(OCCC[NH+]3CCCCC3)c2)C1 ZINC000215764894 241144091 /nfs/dbraw/zinc/14/40/91/241144091.db2.gz MVFMMRSYILBNFH-FQEVSTJZSA-N 1 3 332.488 3.162 50 0 EGAAHO CCCCc1ncc(CN2CCCN(c3cc[nH+]cc3C)CC2)[nH]1 ZINC000077504942 203392351 /nfs/dbraw/zinc/39/23/51/203392351.db2.gz CCYWEJUJUPNJSY-UHFFFAOYSA-N 1 3 327.476 3.168 50 0 EGAAHO c1cc(OC2CCN(C[C@@H]3CCC[N@@H+]4CCCC[C@H]34)CC2)ccn1 ZINC000299788909 258094855 /nfs/dbraw/zinc/09/48/55/258094855.db2.gz XAZPHYKHNUXXTE-FXAWDEMLSA-N 1 3 329.488 3.189 50 0 EGAAHO c1cc(OC2CCN(C[C@@H]3CCC[N@H+]4CCCC[C@H]34)CC2)ccn1 ZINC000299788909 258094856 /nfs/dbraw/zinc/09/48/56/258094856.db2.gz XAZPHYKHNUXXTE-FXAWDEMLSA-N 1 3 329.488 3.189 50 0 EGAAHO CC(C)Oc1ccc(CNCC[C@]2(O)C[C@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000002277989 452692461 /nfs/dbraw/zinc/69/24/61/452692461.db2.gz VTZLVAXMWLFFNO-ZWOKBUDYSA-N 1 3 334.504 3.045 50 0 EGAAHO CC(C)Oc1ccc(CNCC[C@]2(O)C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000002277989 452692467 /nfs/dbraw/zinc/69/24/67/452692467.db2.gz VTZLVAXMWLFFNO-ZWOKBUDYSA-N 1 3 334.504 3.045 50 0 EGAAHO Cc1nc(-c2ccc([C@@H]3CCC[NH2+]3)s2)n(-c2ccnc(C)c2)n1 ZINC000067846955 453972176 /nfs/dbraw/zinc/97/21/76/453972176.db2.gz KAVSYCICEUTQJO-AWEZNQCLSA-N 1 3 325.441 3.432 50 0 EGAAHO Cn1nc(-c2ccccc2)cc1C[NH2+]C[C@@H]1CCCN2CCCC[C@H]12 ZINC000055414150 453983709 /nfs/dbraw/zinc/98/37/09/453983709.db2.gz TVJODEFNLDVVBF-GHTZIAJQSA-N 1 3 338.499 3.441 50 0 EGAAHO CC(C)C[N@@H+]1CCC[C@@H](c2ccnc(SCCN3CCCC3)n2)C1 ZINC000011787933 201815580 /nfs/dbraw/zinc/81/55/80/201815580.db2.gz WOORULRDIGMUBI-QGZVFWFLSA-N 1 3 348.560 3.500 50 0 EGAAHO CC(C)C[N@H+]1CCC[C@@H](c2ccnc(SCCN3CCCC3)n2)C1 ZINC000011787933 201815583 /nfs/dbraw/zinc/81/55/83/201815583.db2.gz WOORULRDIGMUBI-QGZVFWFLSA-N 1 3 348.560 3.500 50 0 EGAAHO Cc1cc(C)c(C[NH+]2CCC(n3cc(C(C)(C)N)nn3)CC2)c(C)c1 ZINC000023251438 202101134 /nfs/dbraw/zinc/10/11/34/202101134.db2.gz BNIOAWMSPWTAKT-UHFFFAOYSA-N 1 3 341.503 3.234 50 0 EGAAHO COc1ccccc1[C@@H]1CN(c2ccncc2)[C@H]2[C@@H]1[NH+]1CCC2CC1 ZINC000072156124 203174115 /nfs/dbraw/zinc/17/41/15/203174115.db2.gz GCDICYKGDPCTDI-CEWLAPEOSA-N 1 3 335.451 3.157 50 0 EGAAHO COc1cccc(OCCN(C)C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000072165926 203179545 /nfs/dbraw/zinc/17/95/45/203179545.db2.gz CDFRMIJQBQNBEJ-FXAWDEMLSA-N 1 3 332.488 3.270 50 0 EGAAHO COc1cccc(OCCN(C)C[C@@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000072165926 203179549 /nfs/dbraw/zinc/17/95/49/203179549.db2.gz CDFRMIJQBQNBEJ-FXAWDEMLSA-N 1 3 332.488 3.270 50 0 EGAAHO CC(C)Cc1ccc(C[NH+]2CCC3(CC2)CN(C)CCN3C)cc1 ZINC000067867871 453974071 /nfs/dbraw/zinc/97/40/71/453974071.db2.gz UEFSBHCFRWNPSH-UHFFFAOYSA-N 1 3 329.532 3.097 50 0 EGAAHO OC[C@H]1C[N@H+](Cc2ccc3ccccc3c2)C[C@H]1CN1CCCCC1 ZINC000091651263 454454897 /nfs/dbraw/zinc/45/48/97/454454897.db2.gz VLWSSQPCWCYDFC-FGZHOGPDSA-N 1 3 338.495 3.366 50 0 EGAAHO OC[C@H]1C[N@@H+](Cc2ccc3ccccc3c2)C[C@H]1CN1CCCCC1 ZINC000091651263 454454900 /nfs/dbraw/zinc/45/49/00/454454900.db2.gz VLWSSQPCWCYDFC-FGZHOGPDSA-N 1 3 338.495 3.366 50 0 EGAAHO Cc1ccc(NC(=O)CCN(C)C[C@H]2CC[N@H+](C)C2(C)C)c(C)c1 ZINC000244742240 243073231 /nfs/dbraw/zinc/07/32/31/243073231.db2.gz OEHUSVMCZFESDF-QGZVFWFLSA-N 1 3 331.504 3.294 50 0 EGAAHO Cc1ccc(NC(=O)CCN(C)C[C@H]2CC[N@@H+](C)C2(C)C)c(C)c1 ZINC000244742240 243073236 /nfs/dbraw/zinc/07/32/36/243073236.db2.gz OEHUSVMCZFESDF-QGZVFWFLSA-N 1 3 331.504 3.294 50 0 EGAAHO Cc1ccc(NC(=O)CC[N@@H+](C)C[C@H]2CCN(C)C2(C)C)c(C)c1 ZINC000244742240 243073241 /nfs/dbraw/zinc/07/32/41/243073241.db2.gz OEHUSVMCZFESDF-QGZVFWFLSA-N 1 3 331.504 3.294 50 0 EGAAHO Cc1ccc(NC(=O)CC[N@H+](C)C[C@H]2CCN(C)C2(C)C)c(C)c1 ZINC000244742240 243073245 /nfs/dbraw/zinc/07/32/45/243073245.db2.gz OEHUSVMCZFESDF-QGZVFWFLSA-N 1 3 331.504 3.294 50 0 EGAAHO COc1ccc2[nH]nc(CN3CCC(C4CC[NH+](C)CC4)CC3)c2c1 ZINC000072170200 203180496 /nfs/dbraw/zinc/18/04/96/203180496.db2.gz ROGSXZNFTNQLIZ-UHFFFAOYSA-N 1 3 342.487 3.125 50 0 EGAAHO COc1ccc2n[nH]c(CN3CCC(C4CC[NH+](C)CC4)CC3)c2c1 ZINC000072170200 203180498 /nfs/dbraw/zinc/18/04/98/203180498.db2.gz ROGSXZNFTNQLIZ-UHFFFAOYSA-N 1 3 342.487 3.125 50 0 EGAAHO CC(C)[NH+]1CCC(N2CCC[C@H](C(=O)NC3CCCCC3)C2)CC1 ZINC000012386882 453358275 /nfs/dbraw/zinc/35/82/75/453358275.db2.gz HHNGTEZNMJRCMS-KRWDZBQOSA-N 1 3 335.536 3.020 50 0 EGAAHO CC(C)(CN1CCCC1)C[NH+]1CCC([C@H](O)Cc2ccccc2)CC1 ZINC000215776019 241148028 /nfs/dbraw/zinc/14/80/28/241148028.db2.gz MCNGAHVDVXFPGN-OAQYLSRUSA-N 1 3 344.543 3.424 50 0 EGAAHO c1c[nH]c([C@@H]2CCC[N@@H+](Cc3cc(CN4CCCC4)cs3)C2)n1 ZINC000244874239 243091844 /nfs/dbraw/zinc/09/18/44/243091844.db2.gz WXBXTJLKGCBEHJ-MRXNPFEDSA-N 1 3 330.501 3.447 50 0 EGAAHO c1c[nH]c([C@@H]2CCC[N@H+](Cc3cc(CN4CCCC4)cs3)C2)n1 ZINC000244874239 243091846 /nfs/dbraw/zinc/09/18/46/243091846.db2.gz WXBXTJLKGCBEHJ-MRXNPFEDSA-N 1 3 330.501 3.447 50 0 EGAAHO Cc1ccc2c(c1)c(CNC1CCC3(CC[NH2+]CC3)CC1)nn2C ZINC000067981873 202951380 /nfs/dbraw/zinc/95/13/80/202951380.db2.gz IPLNYNFXLNCJOK-UHFFFAOYSA-N 1 3 326.488 3.284 50 0 EGAAHO C[C@@H](C1CCN(Cc2cnn(-c3cccc(F)c3)c2)CC1)[NH+](C)C ZINC000077302137 203378843 /nfs/dbraw/zinc/37/88/43/203378843.db2.gz PAIAFTULRFUBQS-HNNXBMFYSA-N 1 3 330.451 3.174 50 0 EGAAHO C[C@H](C1CCN(Cc2ccc3occc3c2)CC1)[NH+]1CCN(C)CC1 ZINC000077406411 203386484 /nfs/dbraw/zinc/38/64/84/203386484.db2.gz AZYGFMLTLDSQBA-QGZVFWFLSA-N 1 3 341.499 3.281 50 0 EGAAHO Cc1ccc(NC(=O)CCN(C)C[C@@H]2CC[N@H+](C)C2(C)C)cc1F ZINC000244811340 455276615 /nfs/dbraw/zinc/27/66/15/455276615.db2.gz SAURJMXVSSETMF-HNNXBMFYSA-N 1 3 335.467 3.125 50 0 EGAAHO Cc1ccc(NC(=O)CCN(C)C[C@@H]2CC[N@@H+](C)C2(C)C)cc1F ZINC000244811340 455276620 /nfs/dbraw/zinc/27/66/20/455276620.db2.gz SAURJMXVSSETMF-HNNXBMFYSA-N 1 3 335.467 3.125 50 0 EGAAHO Cc1ccc(NC(=O)CC[N@@H+](C)C[C@@H]2CCN(C)C2(C)C)cc1F ZINC000244811340 455276627 /nfs/dbraw/zinc/27/66/27/455276627.db2.gz SAURJMXVSSETMF-HNNXBMFYSA-N 1 3 335.467 3.125 50 0 EGAAHO Cc1ccc(NC(=O)CC[N@H+](C)C[C@@H]2CCN(C)C2(C)C)cc1F ZINC000244811340 455276632 /nfs/dbraw/zinc/27/66/32/455276632.db2.gz SAURJMXVSSETMF-HNNXBMFYSA-N 1 3 335.467 3.125 50 0 EGAAHO CC[C@H](C)Oc1cccc(CN2CCC3(CC2)C[N@H+](C)CCN3C)c1 ZINC000067514780 453937683 /nfs/dbraw/zinc/93/76/83/453937683.db2.gz LNCAPOWNMQDSDM-SFHVURJKSA-N 1 3 345.531 3.076 50 0 EGAAHO CC[C@H](C)Oc1cccc(CN2CCC3(CC2)C[N@@H+](C)CCN3C)c1 ZINC000067514780 453937687 /nfs/dbraw/zinc/93/76/87/453937687.db2.gz LNCAPOWNMQDSDM-SFHVURJKSA-N 1 3 345.531 3.076 50 0 EGAAHO CC[C@@H](C)Oc1cccc(CN2CCC3(CC2)C[N@H+](C)CCN3C)c1 ZINC000067514778 453937826 /nfs/dbraw/zinc/93/78/26/453937826.db2.gz LNCAPOWNMQDSDM-GOSISDBHSA-N 1 3 345.531 3.076 50 0 EGAAHO CC[C@@H](C)Oc1cccc(CN2CCC3(CC2)C[N@@H+](C)CCN3C)c1 ZINC000067514778 453937829 /nfs/dbraw/zinc/93/78/29/453937829.db2.gz LNCAPOWNMQDSDM-GOSISDBHSA-N 1 3 345.531 3.076 50 0 EGAAHO CCOc1cccc(CN(CCO)CC2CC[NH+](C(C)C)CC2)c1 ZINC000055413289 453983617 /nfs/dbraw/zinc/98/36/17/453983617.db2.gz NAZOZJAXSMIFKS-UHFFFAOYSA-N 1 3 334.504 3.000 50 0 EGAAHO CC[NH+](CC)[C@H]1CCN(C(=O)c2ccc(CN3CCCCC3)cc2)C1 ZINC000095379398 454200809 /nfs/dbraw/zinc/20/08/09/454200809.db2.gz MWARWUZIUDOAFQ-FQEVSTJZSA-N 1 3 343.515 3.229 50 0 EGAAHO Cc1ccc(-c2ccccc2C[N@@H+]2C[C@@H](CN(C)C)C[C@H](CO)C2)o1 ZINC000091563331 454446106 /nfs/dbraw/zinc/44/61/06/454446106.db2.gz PHBDLCXAEWPERF-MSOLQXFVSA-N 1 3 342.483 3.247 50 0 EGAAHO Cc1ccc(-c2ccccc2C[N@H+]2C[C@@H](CN(C)C)C[C@H](CO)C2)o1 ZINC000091563331 454446111 /nfs/dbraw/zinc/44/61/11/454446111.db2.gz PHBDLCXAEWPERF-MSOLQXFVSA-N 1 3 342.483 3.247 50 0 EGAAHO CCN1CCC([NH2+][C@H](CCn2ccnc2C)c2ccccc2)CC1 ZINC000670471490 548221623 /nfs/dbraw/zinc/22/16/23/548221623.db2.gz CHOKNSYTCIGECG-HXUWFJFHSA-N 1 3 326.488 3.397 50 0 EGAAHO CC[NH+]1CCC(N[C@H](CCn2ccnc2C)c2ccccc2)CC1 ZINC000670471490 548221629 /nfs/dbraw/zinc/22/16/29/548221629.db2.gz CHOKNSYTCIGECG-HXUWFJFHSA-N 1 3 326.488 3.397 50 0 EGAAHO COc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)[C@H]3OC)cc1CN1CCCC1 ZINC000101775278 204022859 /nfs/dbraw/zinc/02/28/59/204022859.db2.gz JCPJZAWMYFLZGX-WGMWDUQUSA-N 1 3 344.499 3.148 50 0 EGAAHO COc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)[C@H]3OC)cc1CN1CCCC1 ZINC000101775278 204022861 /nfs/dbraw/zinc/02/28/61/204022861.db2.gz JCPJZAWMYFLZGX-WGMWDUQUSA-N 1 3 344.499 3.148 50 0 EGAAHO COc1ccc2oc(CNC3CCC4(CC[NH2+]CC4)CC3)nc2c1 ZINC000067724578 453961113 /nfs/dbraw/zinc/96/11/13/453961113.db2.gz HGOHADWQCMACFU-UHFFFAOYSA-N 1 3 329.444 3.238 50 0 EGAAHO C[C@@H]1CCC[N@H+](CCOc2ccccc2CN(C)CC2(C)COC2)C1 ZINC000823683720 1320197983 /nfs/dbraw/zinc/19/79/83/1320197983.db2.gz BLAPIFZGYHJBDL-GOSISDBHSA-N 1 3 346.515 3.266 50 0 EGAAHO C[C@@H]1CCC[N@@H+](CCOc2ccccc2CN(C)CC2(C)COC2)C1 ZINC000823683720 1320197985 /nfs/dbraw/zinc/19/79/85/1320197985.db2.gz BLAPIFZGYHJBDL-GOSISDBHSA-N 1 3 346.515 3.266 50 0 EGAAHO Cc1nn(C)c(C)c1C[N@H+](C[C@@H]1CCCN2CCCC[C@H]12)C1CC1 ZINC000055131839 214277253 /nfs/dbraw/zinc/27/72/53/214277253.db2.gz YTKMKRFMJPYBJI-FXAWDEMLSA-N 1 3 330.520 3.266 50 0 EGAAHO Cc1nn(C)c(C)c1C[N@@H+](C[C@@H]1CCCN2CCCC[C@H]12)C1CC1 ZINC000055131839 214277255 /nfs/dbraw/zinc/27/72/55/214277255.db2.gz YTKMKRFMJPYBJI-FXAWDEMLSA-N 1 3 330.520 3.266 50 0 EGAAHO CC(C)(CN1CCCC1)C[NH+]1CCC([C@@H](O)Cc2ccccc2)CC1 ZINC000215776061 241145813 /nfs/dbraw/zinc/14/58/13/241145813.db2.gz MCNGAHVDVXFPGN-NRFANRHFSA-N 1 3 344.543 3.424 50 0 EGAAHO Cc1ccc(NC(=O)CCN(C)C[C@@H]2CC[N@H+](C)C2(C)C)c(C)c1 ZINC000244742239 243072093 /nfs/dbraw/zinc/07/20/93/243072093.db2.gz OEHUSVMCZFESDF-KRWDZBQOSA-N 1 3 331.504 3.294 50 0 EGAAHO Cc1ccc(NC(=O)CCN(C)C[C@@H]2CC[N@@H+](C)C2(C)C)c(C)c1 ZINC000244742239 243072098 /nfs/dbraw/zinc/07/20/98/243072098.db2.gz OEHUSVMCZFESDF-KRWDZBQOSA-N 1 3 331.504 3.294 50 0 EGAAHO Cc1ccc(NC(=O)CC[N@@H+](C)C[C@@H]2CCN(C)C2(C)C)c(C)c1 ZINC000244742239 243072104 /nfs/dbraw/zinc/07/21/04/243072104.db2.gz OEHUSVMCZFESDF-KRWDZBQOSA-N 1 3 331.504 3.294 50 0 EGAAHO Cc1ccc(NC(=O)CC[N@H+](C)C[C@@H]2CCN(C)C2(C)C)c(C)c1 ZINC000244742239 243072108 /nfs/dbraw/zinc/07/21/08/243072108.db2.gz OEHUSVMCZFESDF-KRWDZBQOSA-N 1 3 331.504 3.294 50 0 EGAAHO CCCCc1cn(C2CCN(C3CC[NH+](CCC)CC3)CC2)nn1 ZINC000048090855 454442761 /nfs/dbraw/zinc/44/27/61/454442761.db2.gz HGRQWYMYMRYHPV-UHFFFAOYSA-N 1 3 333.524 3.132 50 0 EGAAHO C[NH+](C)CCOC1CCN(Cc2ccc3cc(Cl)ccc3n2)CC1 ZINC000215146974 535892781 /nfs/dbraw/zinc/89/27/81/535892781.db2.gz XCBYWFIHRKLFML-UHFFFAOYSA-N 1 3 347.890 3.431 50 0 EGAAHO C[NH+](C)CCCOc1cccc(CN2CCC(c3ncc[nH]3)CC2)c1 ZINC000216417972 241192491 /nfs/dbraw/zinc/19/24/91/241192491.db2.gz YJJGMRJOSZKRKE-UHFFFAOYSA-N 1 3 342.487 3.120 50 0 EGAAHO COc1ccc(C[N@@H+]2CCC[C@@](C)(O)CC2)cc1CN1CCCC1 ZINC000215681181 241139294 /nfs/dbraw/zinc/13/92/94/241139294.db2.gz WCSPUXRUIKCLGP-HXUWFJFHSA-N 1 3 332.488 3.028 50 0 EGAAHO COc1ccc(C[N@H+]2CCC[C@@](C)(O)CC2)cc1CN1CCCC1 ZINC000215681181 241139299 /nfs/dbraw/zinc/13/92/99/241139299.db2.gz WCSPUXRUIKCLGP-HXUWFJFHSA-N 1 3 332.488 3.028 50 0 EGAAHO C[NH+](C)CC1(O)CCN(Cc2ccc(Oc3ccccc3)cc2)CC1 ZINC000215559932 241131312 /nfs/dbraw/zinc/13/13/12/241131312.db2.gz URXBWAITNWTOLX-UHFFFAOYSA-N 1 3 340.467 3.367 50 0 EGAAHO CN(C(=O)CC[C@@H]1CCC[N@H+](CC(C)(C)C)C1)C1CCN(C)CC1 ZINC000012028521 211281403 /nfs/dbraw/zinc/28/14/03/211281403.db2.gz OWOOHLJCWIWWID-KRWDZBQOSA-N 1 3 337.552 3.077 50 0 EGAAHO CN(C(=O)CC[C@@H]1CCC[N@@H+](CC(C)(C)C)C1)C1CCN(C)CC1 ZINC000012028521 211281409 /nfs/dbraw/zinc/28/14/09/211281409.db2.gz OWOOHLJCWIWWID-KRWDZBQOSA-N 1 3 337.552 3.077 50 0 EGAAHO Cc1nc2ccccn2c1CN1CCC([C@@H](C)[NH+]2CCCC2)CC1 ZINC000072410800 216202225 /nfs/dbraw/zinc/20/22/25/216202225.db2.gz HVULPKCTIDCLRZ-QGZVFWFLSA-N 1 3 326.488 3.339 50 0 EGAAHO COC[C@@H]1CC[N@H+](Cc2ccccc2OCCN2CCCCC2)C1 ZINC000215799680 241147592 /nfs/dbraw/zinc/14/75/92/241147592.db2.gz SYKSKLMVLFEPPN-GOSISDBHSA-N 1 3 332.488 3.020 50 0 EGAAHO COC[C@@H]1CC[N@@H+](Cc2ccccc2OCCN2CCCCC2)C1 ZINC000215799680 241147597 /nfs/dbraw/zinc/14/75/97/241147597.db2.gz SYKSKLMVLFEPPN-GOSISDBHSA-N 1 3 332.488 3.020 50 0 EGAAHO CN1CCC([N@H+](C)C[C@@H]2CCCN(CCc3ccc(F)cc3)C2)CC1 ZINC000020455704 212132065 /nfs/dbraw/zinc/13/20/65/212132065.db2.gz GXOKOLKJYROUPX-IBGZPJMESA-N 1 3 347.522 3.106 50 0 EGAAHO CN1CCC([N@@H+](C)C[C@@H]2CCCN(CCc3ccc(F)cc3)C2)CC1 ZINC000020455704 212132068 /nfs/dbraw/zinc/13/20/68/212132068.db2.gz GXOKOLKJYROUPX-IBGZPJMESA-N 1 3 347.522 3.106 50 0 EGAAHO Cc1nc([C@@H]2CCCN(Cc3ccco3)C2)n(-c2cc[nH+]c(C)c2)n1 ZINC000065499806 454578678 /nfs/dbraw/zinc/57/86/78/454578678.db2.gz DZJQHAIQILZYDO-MRXNPFEDSA-N 1 3 337.427 3.252 50 0 EGAAHO COCCCN(Cc1cc2ccccc2n1C)C1CC[NH+](C)CC1 ZINC000072476784 216254540 /nfs/dbraw/zinc/25/45/40/216254540.db2.gz SELLGACXXMNENU-UHFFFAOYSA-N 1 3 329.488 3.111 50 0 EGAAHO Cc1ccc(CN2CCC(C[N@H+](C)CCCn3cccn3)CC2)o1 ZINC000012031444 211282164 /nfs/dbraw/zinc/28/21/64/211282164.db2.gz NJXPWNLHAKAFBR-UHFFFAOYSA-N 1 3 330.476 3.019 50 0 EGAAHO Cc1ccc(CN2CCC(C[N@@H+](C)CCCn3cccn3)CC2)o1 ZINC000012031444 211282166 /nfs/dbraw/zinc/28/21/66/211282166.db2.gz NJXPWNLHAKAFBR-UHFFFAOYSA-N 1 3 330.476 3.019 50 0 EGAAHO CC(C)Oc1ccc(CNCC[C@]2(O)C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000013765785 453488274 /nfs/dbraw/zinc/48/82/74/453488274.db2.gz VTZLVAXMWLFFNO-QKLQHJQFSA-N 1 3 334.504 3.045 50 0 EGAAHO CC(C)Oc1ccc(CNCC[C@]2(O)C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000013765785 453488284 /nfs/dbraw/zinc/48/82/84/453488284.db2.gz VTZLVAXMWLFFNO-QKLQHJQFSA-N 1 3 334.504 3.045 50 0 EGAAHO C[C@H](C[NH+]1CCCCC1)C(=O)Nc1ccccc1CN1CCCC1 ZINC000952861785 1334583109 /nfs/dbraw/zinc/58/31/09/1334583109.db2.gz KIVIRGAHJIHVAE-QGZVFWFLSA-N 1 3 329.488 3.343 50 0 EGAAHO CSc1cccc(CN2CCC[C@@H](N(C)CCC[NH+](C)C)C2)c1 ZINC000020997385 212196323 /nfs/dbraw/zinc/19/63/23/212196323.db2.gz OGSQZKYKKRDDKY-GOSISDBHSA-N 1 3 335.561 3.256 50 0 EGAAHO CSc1cccc(CN2CCC[C@@H]([N@H+](C)CCCN(C)C)C2)c1 ZINC000020997385 212196325 /nfs/dbraw/zinc/19/63/25/212196325.db2.gz OGSQZKYKKRDDKY-GOSISDBHSA-N 1 3 335.561 3.256 50 0 EGAAHO CSc1cccc(CN2CCC[C@@H]([N@@H+](C)CCCN(C)C)C2)c1 ZINC000020997385 212196329 /nfs/dbraw/zinc/19/63/29/212196329.db2.gz OGSQZKYKKRDDKY-GOSISDBHSA-N 1 3 335.561 3.256 50 0 EGAAHO C[NH+]1CCC(Oc2ccc(NC(=O)[C@@H](N)C3CCCCC3)cc2)CC1 ZINC000952969983 1334626767 /nfs/dbraw/zinc/62/67/67/1334626767.db2.gz GTAKJNUQBRDMFJ-IBGZPJMESA-N 1 3 345.487 3.006 50 0 EGAAHO CC[C@]1(O)CCC[N@H+](Cc2ccc(OC)c(CN3CCCC3)c2)C1 ZINC000215732770 535957193 /nfs/dbraw/zinc/95/71/93/535957193.db2.gz TYDBIMKCHZQPHE-FQEVSTJZSA-N 1 3 332.488 3.028 50 0 EGAAHO CC[C@]1(O)CCC[N@@H+](Cc2ccc(OC)c(CN3CCCC3)c2)C1 ZINC000215732770 535957198 /nfs/dbraw/zinc/95/71/98/535957198.db2.gz TYDBIMKCHZQPHE-FQEVSTJZSA-N 1 3 332.488 3.028 50 0 EGAAHO COc1ccc(C[N@@H+]2CCC[C@](C)(O)CC2)cc1CN1CCCC1 ZINC000215681136 241139538 /nfs/dbraw/zinc/13/95/38/241139538.db2.gz WCSPUXRUIKCLGP-FQEVSTJZSA-N 1 3 332.488 3.028 50 0 EGAAHO COc1ccc(C[N@H+]2CCC[C@](C)(O)CC2)cc1CN1CCCC1 ZINC000215681136 241139541 /nfs/dbraw/zinc/13/95/41/241139541.db2.gz WCSPUXRUIKCLGP-FQEVSTJZSA-N 1 3 332.488 3.028 50 0 EGAAHO CCN(C)Cc1cccc(OC[C@@H](O)C[N@H+](C)C2CCCCC2)c1 ZINC000012574009 453376842 /nfs/dbraw/zinc/37/68/42/453376842.db2.gz TYEIQDOTVRJMIY-IBGZPJMESA-N 1 3 334.504 3.143 50 0 EGAAHO CCN(C)Cc1cccc(OC[C@@H](O)C[N@@H+](C)C2CCCCC2)c1 ZINC000012574009 453376850 /nfs/dbraw/zinc/37/68/50/453376850.db2.gz TYEIQDOTVRJMIY-IBGZPJMESA-N 1 3 334.504 3.143 50 0 EGAAHO Cc1cccc(CN2CCC[C@@]3(CC[N@@H+](C4CCN(C)CC4)C3)C2)c1 ZINC000012591903 453379348 /nfs/dbraw/zinc/37/93/48/453379348.db2.gz LVPGFQHGXRMEAV-JOCHJYFZSA-N 1 3 341.543 3.377 50 0 EGAAHO Cc1cccc(CN2CCC[C@@]3(CC[N@H+](C4CCN(C)CC4)C3)C2)c1 ZINC000012591903 453379351 /nfs/dbraw/zinc/37/93/51/453379351.db2.gz LVPGFQHGXRMEAV-JOCHJYFZSA-N 1 3 341.543 3.377 50 0 EGAAHO COCC[N@@H+]1CCC[C@@]2(CCN(Cc3cccc4cccnc43)C2)C1 ZINC000015069256 453554880 /nfs/dbraw/zinc/55/48/80/453554880.db2.gz SIWUTPCICILCTH-OAQYLSRUSA-N 1 3 339.483 3.169 50 0 EGAAHO COCC[N@H+]1CCC[C@@]2(CCN(Cc3cccc4cccnc43)C2)C1 ZINC000015069256 453554886 /nfs/dbraw/zinc/55/48/86/453554886.db2.gz SIWUTPCICILCTH-OAQYLSRUSA-N 1 3 339.483 3.169 50 0 EGAAHO COc1cccc(-c2ncc(CN3C[C@H]4[C@H](C[NH+](C)C)[C@H]4C3)s2)c1 ZINC000102594773 219212988 /nfs/dbraw/zinc/21/29/88/219212988.db2.gz OSKINTYFFNHGCM-NNZMDNLPSA-N 1 3 343.496 3.058 50 0 EGAAHO CN(Cc1cc(-c2ccccn2)no1)C1CCC2(CC[NH2+]CC2)CC1 ZINC000067852034 215232046 /nfs/dbraw/zinc/23/20/46/215232046.db2.gz VQELLXKRABQOES-UHFFFAOYSA-N 1 3 340.471 3.481 50 0 EGAAHO Cc1cc(C)n(-c2ccccc2C[N@H+]2CCC[C@H](N(C)C)CC2)n1 ZINC000244602001 243044485 /nfs/dbraw/zinc/04/44/85/243044485.db2.gz DVXGNXVLXBAWSB-IBGZPJMESA-N 1 3 326.488 3.405 50 0 EGAAHO Cc1cc(C)n(-c2ccccc2C[N@@H+]2CCC[C@H](N(C)C)CC2)n1 ZINC000244602001 243044490 /nfs/dbraw/zinc/04/44/90/243044490.db2.gz DVXGNXVLXBAWSB-IBGZPJMESA-N 1 3 326.488 3.405 50 0 EGAAHO c1coc(C[N@@H+]2CC[C@H](C3CCN(Cc4cccnc4)CC3)C2)c1 ZINC000012304981 211338887 /nfs/dbraw/zinc/33/88/87/211338887.db2.gz FMBGBSMSEUKDJG-IBGZPJMESA-N 1 3 325.456 3.409 50 0 EGAAHO c1coc(C[N@H+]2CC[C@H](C3CCN(Cc4cccnc4)CC3)C2)c1 ZINC000012304981 211338885 /nfs/dbraw/zinc/33/88/85/211338885.db2.gz FMBGBSMSEUKDJG-IBGZPJMESA-N 1 3 325.456 3.409 50 0 EGAAHO NC[C@@H]1CC[N@@H+](C2CCN(c3ccc(-c4ccco4)cc3)CC2)C1 ZINC000019953421 453660948 /nfs/dbraw/zinc/66/09/48/453660948.db2.gz QBYGIQHUJDCEQF-INIZCTEOSA-N 1 3 325.456 3.196 50 0 EGAAHO NC[C@@H]1CC[N@H+](C2CCN(c3ccc(-c4ccco4)cc3)CC2)C1 ZINC000019953421 453660952 /nfs/dbraw/zinc/66/09/52/453660952.db2.gz QBYGIQHUJDCEQF-INIZCTEOSA-N 1 3 325.456 3.196 50 0 EGAAHO c1cc(C[C@@H]2CC[C@H](C[NH+]3CCCC3)O2)ncc1CN1CCCCC1 ZINC000952854548 1334581703 /nfs/dbraw/zinc/58/17/03/1334581703.db2.gz RQGPRHULPGMNMD-LEWJYISDSA-N 1 3 343.515 3.253 50 0 EGAAHO Cc1ccc(F)cc1NC(=O)[C@H](C)NC1CCC2(CC[NH2+]CC2)CC1 ZINC000067725492 215195741 /nfs/dbraw/zinc/19/57/41/215195741.db2.gz XRZZJULJEQUIAG-HNNXBMFYSA-N 1 3 347.478 3.363 50 0 EGAAHO COCCN1CCC2(CC1)C[C@H](c1ccccc1)C[N@@H+](C1CC1)C2 ZINC000095376740 218308766 /nfs/dbraw/zinc/30/87/66/218308766.db2.gz GRFCDKVQFWJVKD-IBGZPJMESA-N 1 3 328.500 3.367 50 0 EGAAHO COCCN1CCC2(CC1)C[C@H](c1ccccc1)C[N@H+](C1CC1)C2 ZINC000095376740 218308768 /nfs/dbraw/zinc/30/87/68/218308768.db2.gz GRFCDKVQFWJVKD-IBGZPJMESA-N 1 3 328.500 3.367 50 0 EGAAHO Cc1ccc(F)cc1NC(=O)[C@@H](C)NC1CCC2(CC[NH2+]CC2)CC1 ZINC000067725488 215196295 /nfs/dbraw/zinc/19/62/95/215196295.db2.gz XRZZJULJEQUIAG-OAHLLOKOSA-N 1 3 347.478 3.363 50 0 EGAAHO CCN1CCCN(C(=O)c2ccc(C[NH+]3CCCCCC3)cc2)CC1 ZINC000244884114 279289237 /nfs/dbraw/zinc/28/92/37/279289237.db2.gz YFOMLPOOIUORCX-UHFFFAOYSA-N 1 3 343.515 3.230 50 0 EGAAHO Cc1cc(C)c(CN2CCN(c3cc[nH+]cc3)CC2)c(-n2cccn2)c1 ZINC000065383213 454557761 /nfs/dbraw/zinc/55/77/61/454557761.db2.gz MNWMIYPOPAXZNV-UHFFFAOYSA-N 1 3 347.466 3.206 50 0 EGAAHO CO[C@@H]1CC[NH2+]C[C@@H]1Nc1cc(C)nc2cc(C(F)(F)F)ccc21 ZINC001704308492 1416437049 /nfs/dbraw/zinc/43/70/49/1416437049.db2.gz SDFUMTFAJLGLAX-JKSUJKDBSA-N 1 3 339.361 3.351 50 0 EGAAHO CC(C)(C)OC(=O)[C@H]1CCN(C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000091696208 218050474 /nfs/dbraw/zinc/05/04/74/218050474.db2.gz UNWHCTMDYJWQSA-SFHVURJKSA-N 1 3 344.499 3.315 50 0 EGAAHO OC[C@H]1CN(CCCc2ccccc2)C[C@H]1C[NH+]1CCCCCC1 ZINC000091987546 218099964 /nfs/dbraw/zinc/09/99/64/218099964.db2.gz IHCCSRQHRMBFRI-NHCUHLMSSA-N 1 3 330.516 3.036 50 0 EGAAHO OC[C@H]1C[N@H+](CCCc2ccccc2)C[C@H]1CN1CCCCCC1 ZINC000091987546 218099966 /nfs/dbraw/zinc/09/99/66/218099966.db2.gz IHCCSRQHRMBFRI-NHCUHLMSSA-N 1 3 330.516 3.036 50 0 EGAAHO OC[C@H]1C[N@@H+](CCCc2ccccc2)C[C@H]1CN1CCCCCC1 ZINC000091987546 218099967 /nfs/dbraw/zinc/09/99/67/218099967.db2.gz IHCCSRQHRMBFRI-NHCUHLMSSA-N 1 3 330.516 3.036 50 0 EGAAHO COc1cccc([C@H]2CN(c3ccncc3)[C@H]3[C@@H]2[NH+]2CCC3CC2)c1 ZINC000095356021 218289587 /nfs/dbraw/zinc/28/95/87/218289587.db2.gz DJNPFPOAYLACRV-NJDAHSKKSA-N 1 3 335.451 3.157 50 0 EGAAHO CC(C)N1CCN(CC[NH+]2CCC(c3ccccc3)CC2)C[C@H]1C ZINC000039537221 213240026 /nfs/dbraw/zinc/24/00/26/213240026.db2.gz VMGXSAFRVRDTRG-LJQANCHMSA-N 1 3 329.532 3.281 50 0 EGAAHO [NH3+]CCc1ccc(CN2CCC([C@@H](O)Cc3ccccc3)CC2)cc1 ZINC000072477455 216255309 /nfs/dbraw/zinc/25/53/09/216255309.db2.gz CUHCXSGTMWTJLE-QFIPXVFZSA-N 1 3 338.495 3.003 50 0 EGAAHO CC(C)(C)c1cc(O)cc(C(C)(C)C)c1CN1CCN(CC[NH3+])CC1 ZINC000019367669 212022291 /nfs/dbraw/zinc/02/22/91/212022291.db2.gz YOCBJWKXNPRDLG-UHFFFAOYSA-N 1 3 347.547 3.064 50 0 EGAAHO CN1CCC(CC(=O)N[C@@H]2CCC[N@@H+](C3CCCCCC3)C2)CC1 ZINC000012429908 211377516 /nfs/dbraw/zinc/37/75/16/211377516.db2.gz DGINPQDJHXHVLV-GOSISDBHSA-N 1 3 335.536 3.022 50 0 EGAAHO CN1CCC(CC(=O)N[C@@H]2CCC[N@H+](C3CCCCCC3)C2)CC1 ZINC000012429908 211377520 /nfs/dbraw/zinc/37/75/20/211377520.db2.gz DGINPQDJHXHVLV-GOSISDBHSA-N 1 3 335.536 3.022 50 0 EGAAHO CN(CCc1ccccn1)Cc1ccc(OC[C@H]2CCC[NH2+]C2)cc1 ZINC000299796639 258101158 /nfs/dbraw/zinc/10/11/58/258101158.db2.gz NVROHKOKFFDYGI-IBGZPJMESA-N 1 3 339.483 3.135 50 0 EGAAHO CN(C)[C@H]1CCC[N@H+](Cc2ccc3c4c2cccc4C(=O)OC3)CC1 ZINC000244866567 455276862 /nfs/dbraw/zinc/27/68/62/455276862.db2.gz VYLBWTKCNRQVOZ-KRWDZBQOSA-N 1 3 338.451 3.426 50 0 EGAAHO CN(C)[C@H]1CCC[N@@H+](Cc2ccc3c4c2cccc4C(=O)OC3)CC1 ZINC000244866567 455276868 /nfs/dbraw/zinc/27/68/68/455276868.db2.gz VYLBWTKCNRQVOZ-KRWDZBQOSA-N 1 3 338.451 3.426 50 0 EGAAHO C[C@H](C1CCN(Cc2cnn(-c3cccc(F)c3)c2)CC1)[NH+](C)C ZINC000077302138 454087824 /nfs/dbraw/zinc/08/78/24/454087824.db2.gz PAIAFTULRFUBQS-OAHLLOKOSA-N 1 3 330.451 3.174 50 0 EGAAHO CN(Cc1ccccc1OCC[NH+]1CCCCC1)CC1(C)COC1 ZINC000670454128 548218534 /nfs/dbraw/zinc/21/85/34/548218534.db2.gz TZNPXSXNLOJXPW-UHFFFAOYSA-N 1 3 332.488 3.020 50 0 EGAAHO Cc1ccc(C(F)(F)F)cc1CN1CCC(CO)(C[NH+](C)C)CC1 ZINC001772710031 1441417061 /nfs/dbraw/zinc/41/70/61/1441417061.db2.gz UJJWNZSRRRDMAI-UHFFFAOYSA-N 1 3 344.421 3.150 50 0 EGAAHO C[C@H](C1CCN(CCSc2ccccc2)CC1)[NH+]1CCN(C)CC1 ZINC000077358136 454096310 /nfs/dbraw/zinc/09/63/10/454096310.db2.gz GDMLFHIDVCTZSU-GOSISDBHSA-N 1 3 347.572 3.127 50 0 EGAAHO C[C@@H](C1CCN(Cc2cnc(-c3cccs3)nc2)CC1)[NH+](C)C ZINC000077438558 454106442 /nfs/dbraw/zinc/10/64/42/454106442.db2.gz ZTCFLCQRXMQWMH-AWEZNQCLSA-N 1 3 330.501 3.367 50 0 EGAAHO CC1(C)CC(N2CC[C@@H](c3ccc(F)cc3)[C@H](O)C2)CC(C)(C)[NH2+]1 ZINC000065526474 454584112 /nfs/dbraw/zinc/58/41/12/454584112.db2.gz VZOPYUQAZWJULF-ZWKOTPCHSA-N 1 3 334.479 3.285 50 0 EGAAHO CC1(C)CC([N@@H+]2CC[C@@H](c3ccc(F)cc3)[C@H](O)C2)CC(C)(C)N1 ZINC000065526474 454584115 /nfs/dbraw/zinc/58/41/15/454584115.db2.gz VZOPYUQAZWJULF-ZWKOTPCHSA-N 1 3 334.479 3.285 50 0 EGAAHO CC1(C)CC([N@H+]2CC[C@@H](c3ccc(F)cc3)[C@H](O)C2)CC(C)(C)N1 ZINC000065526474 454584119 /nfs/dbraw/zinc/58/41/19/454584119.db2.gz VZOPYUQAZWJULF-ZWKOTPCHSA-N 1 3 334.479 3.285 50 0 EGAAHO Cc1cc(C)nc(N2CCC[C@H](c3nccn3CCC[NH+](C)C)C2)c1 ZINC000095523238 454227741 /nfs/dbraw/zinc/22/77/41/454227741.db2.gz TYSGJUYGZMILIW-SFHVURJKSA-N 1 3 341.503 3.231 50 0 EGAAHO CN(C)[C@@H]1CCC[N@H+](Cc2ccc3c4c2cccc4C(=O)OC3)CC1 ZINC000244866568 455277174 /nfs/dbraw/zinc/27/71/74/455277174.db2.gz VYLBWTKCNRQVOZ-QGZVFWFLSA-N 1 3 338.451 3.426 50 0 EGAAHO CN(C)[C@@H]1CCC[N@@H+](Cc2ccc3c4c2cccc4C(=O)OC3)CC1 ZINC000244866568 455277176 /nfs/dbraw/zinc/27/71/76/455277176.db2.gz VYLBWTKCNRQVOZ-QGZVFWFLSA-N 1 3 338.451 3.426 50 0 EGAAHO C[C@@H](C1CCN(CCSc2ccccc2)CC1)[NH+]1CCN(C)CC1 ZINC000077358134 454096955 /nfs/dbraw/zinc/09/69/55/454096955.db2.gz GDMLFHIDVCTZSU-SFHVURJKSA-N 1 3 347.572 3.127 50 0 EGAAHO Cc1c[nH+]ccc1N1CCCN(Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000077504824 454115404 /nfs/dbraw/zinc/11/54/04/454115404.db2.gz BBWPRFWMGQMFDF-UHFFFAOYSA-N 1 3 337.427 3.085 50 0 EGAAHO COc1ccccc1[C@H]1CN(c2ccncc2)[C@H]2[C@@H]1[NH+]1CCC2CC1 ZINC000072162209 216049885 /nfs/dbraw/zinc/04/98/85/216049885.db2.gz GCDICYKGDPCTDI-HMXCVIKNSA-N 1 3 335.451 3.157 50 0 EGAAHO Cc1cc(C)nc(N2CCC[C@@H](c3nccn3CCC[NH+](C)C)C2)c1 ZINC000095523239 291874073 /nfs/dbraw/zinc/87/40/73/291874073.db2.gz TYSGJUYGZMILIW-GOSISDBHSA-N 1 3 341.503 3.231 50 0 EGAAHO Cc1cc(-n2nc(-c3ccncc3)nc2[C@H](C)C[NH+]2CCCC2)ccn1 ZINC000097631927 278619523 /nfs/dbraw/zinc/61/95/23/278619523.db2.gz KBYODJBZUGRXCM-OAHLLOKOSA-N 1 3 348.454 3.232 50 0 EGAAHO C[NH+](C)CCn1ccnc1[C@@H]1CCCN(c2ccnc3ccccc32)C1 ZINC000095504810 454223898 /nfs/dbraw/zinc/22/38/98/454223898.db2.gz RGVUDIJCNXRGMP-QGZVFWFLSA-N 1 3 349.482 3.377 50 0 EGAAHO CN(Cc1cnn2cccnc12)CC1CC[NH+](Cc2ccccc2)CC1 ZINC000216518264 536485244 /nfs/dbraw/zinc/48/52/44/536485244.db2.gz YCNDRSMTYKPKAK-UHFFFAOYSA-N 1 3 349.482 3.073 50 0 EGAAHO C[NH+](C)C[C@]1(O)CCCN(Cc2ccc(OC3CCCC3)cc2)CC1 ZINC000072134660 216024076 /nfs/dbraw/zinc/02/40/76/216024076.db2.gz JQDJUULYVWUMEM-NRFANRHFSA-N 1 3 346.515 3.287 50 0 EGAAHO [NH3+]CCc1cccc(CN2CCC[C@H](C(=O)Cc3ccccc3)C2)c1 ZINC000072409173 216201644 /nfs/dbraw/zinc/20/16/44/216201644.db2.gz AIDABWMDVYPEMH-NRFANRHFSA-N 1 3 336.479 3.212 50 0 EGAAHO CN(C/C=C/c1ccccc1)[C@@H]1c2ccccc2C2(CC[NH2+]CC2)[C@H]1O ZINC000023192607 212359811 /nfs/dbraw/zinc/35/98/11/212359811.db2.gz OPESQIZQSYOBKF-ALQXMYAYSA-N 1 3 348.490 3.369 50 0 EGAAHO CN(C)[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000244774138 243080114 /nfs/dbraw/zinc/08/01/14/243080114.db2.gz POLTVZZTSVBYPQ-CQSZACIVSA-N 1 3 341.858 3.224 50 0 EGAAHO CN(C)[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000244774138 243080119 /nfs/dbraw/zinc/08/01/19/243080119.db2.gz POLTVZZTSVBYPQ-CQSZACIVSA-N 1 3 341.858 3.224 50 0 EGAAHO CC(C)(C)OC(=O)[C@@H]1CCN(C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000091696207 218050613 /nfs/dbraw/zinc/05/06/13/218050613.db2.gz UNWHCTMDYJWQSA-GOSISDBHSA-N 1 3 344.499 3.315 50 0 EGAAHO Cc1cc(N2CCCN(Cc3cccc4nccnc34)CC2)cc[nH+]1 ZINC000072121001 216013336 /nfs/dbraw/zinc/01/33/36/216013336.db2.gz HNXXQJWBGRDMQT-UHFFFAOYSA-N 1 3 333.439 3.046 50 0 EGAAHO [NH3+]CCc1cccc(CN2CCC[C@@H](C(=O)Cc3ccccc3)C2)c1 ZINC000072409172 216200610 /nfs/dbraw/zinc/20/06/10/216200610.db2.gz AIDABWMDVYPEMH-OAQYLSRUSA-N 1 3 336.479 3.212 50 0 EGAAHO CCN1CCN(CCOc2ccc(C[NH+]3CCCCCC3)cc2)CC1 ZINC000222408418 279357935 /nfs/dbraw/zinc/35/79/35/279357935.db2.gz RUHCJCXLQNYRST-UHFFFAOYSA-N 1 3 345.531 3.079 50 0 EGAAHO CSc1ccccc1CN1CCC([C@@H](C)[NH+]2CCN(C)CC2)CC1 ZINC000077520719 454117021 /nfs/dbraw/zinc/11/70/21/454117021.db2.gz WWVURKRJSNVEMO-QGZVFWFLSA-N 1 3 347.572 3.256 50 0 EGAAHO Cc1c[nH+]ccc1N1CCCN(Cc2nc3ccccc3nc2C)CC1 ZINC000077287121 454085807 /nfs/dbraw/zinc/08/58/07/454085807.db2.gz AILPEUIHHBVCGJ-UHFFFAOYSA-N 1 3 347.466 3.354 50 0 EGAAHO CN(C)[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000244774137 536138065 /nfs/dbraw/zinc/13/80/65/536138065.db2.gz POLTVZZTSVBYPQ-AWEZNQCLSA-N 1 3 341.858 3.224 50 0 EGAAHO CN(C)[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000244774137 536138068 /nfs/dbraw/zinc/13/80/68/536138068.db2.gz POLTVZZTSVBYPQ-AWEZNQCLSA-N 1 3 341.858 3.224 50 0 EGAAHO C[C@H](C1CCN(Cc2cnc(-c3cccs3)nc2)CC1)[NH+](C)C ZINC000077438559 454106494 /nfs/dbraw/zinc/10/64/94/454106494.db2.gz ZTCFLCQRXMQWMH-CQSZACIVSA-N 1 3 330.501 3.367 50 0 EGAAHO CN1CCC([N@H+](C)C[C@H]2CCCN(CCc3ccc(F)cc3)C2)CC1 ZINC000020455706 212132110 /nfs/dbraw/zinc/13/21/10/212132110.db2.gz GXOKOLKJYROUPX-LJQANCHMSA-N 1 3 347.522 3.106 50 0 EGAAHO CN1CCC([N@@H+](C)C[C@H]2CCCN(CCc3ccc(F)cc3)C2)CC1 ZINC000020455706 212132113 /nfs/dbraw/zinc/13/21/13/212132113.db2.gz GXOKOLKJYROUPX-LJQANCHMSA-N 1 3 347.522 3.106 50 0 EGAAHO COc1ccccc1OC1CC[NH+](CC[C@H]2CCCCN2C)CC1 ZINC000020255943 212114773 /nfs/dbraw/zinc/11/47/73/212114773.db2.gz WFJDTRRGGJBRGL-QGZVFWFLSA-N 1 3 332.488 3.413 50 0 EGAAHO CC[NH+](CC)[C@@H]1CCN(C(=O)c2ccc(CN3CCCCC3)cc2)C1 ZINC000095379397 218312784 /nfs/dbraw/zinc/31/27/84/218312784.db2.gz MWARWUZIUDOAFQ-HXUWFJFHSA-N 1 3 343.515 3.229 50 0 EGAAHO COc1cccc([C@@H]2CN(c3ccncc3)[C@H]3[C@@H]2[NH+]2CCC3CC2)c1 ZINC000072140463 216027667 /nfs/dbraw/zinc/02/76/67/216027667.db2.gz DJNPFPOAYLACRV-PWRODBHTSA-N 1 3 335.451 3.157 50 0 EGAAHO [NH3+]CCc1cccc(CN2CCC(Oc3cccc(F)c3)CC2)c1 ZINC000072429619 216222632 /nfs/dbraw/zinc/22/26/32/216222632.db2.gz QZKYOMUVZLEWQP-UHFFFAOYSA-N 1 3 328.431 3.370 50 0 EGAAHO CO[C@@H]1CCN(Cc2cccc(OCCC[NH+]3CCCCC3)c2)C1 ZINC000215764853 536686957 /nfs/dbraw/zinc/68/69/57/536686957.db2.gz MVFMMRSYILBNFH-HXUWFJFHSA-N 1 3 332.488 3.162 50 0 EGAAHO