smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1cc[nH+]c1-c1ccc(C(=O)NC[C@H]2CCC[N@H+](Cc3ccco3)C2)cc1 ZINC000426382960 231210992 /nfs/dbraw/zinc/21/09/92/231210992.db2.gz BDSABGNNBIVPBM-QGZVFWFLSA-N 2 2 378.476 3.322 50 0 GGAALP Cn1cc[nH+]c1-c1ccc(C(=O)NC[C@H]2CCC[N@@H+](Cc3ccco3)C2)cc1 ZINC000426382960 231210995 /nfs/dbraw/zinc/21/09/95/231210995.db2.gz BDSABGNNBIVPBM-QGZVFWFLSA-N 2 2 378.476 3.322 50 0 GGAALP Cn1cc[nH+]c1-c1ccc(C(=O)NC[C@@H]2CCC[N@H+](Cc3ccco3)C2)cc1 ZINC000426382953 231211186 /nfs/dbraw/zinc/21/11/86/231211186.db2.gz BDSABGNNBIVPBM-KRWDZBQOSA-N 2 2 378.476 3.322 50 0 GGAALP Cn1cc[nH+]c1-c1ccc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccco3)C2)cc1 ZINC000426382953 231211189 /nfs/dbraw/zinc/21/11/89/231211189.db2.gz BDSABGNNBIVPBM-KRWDZBQOSA-N 2 2 378.476 3.322 50 0 GGAALP Cn1c(C[NH+]2CCCC2)nnc1[C@@H]1CCC[N@H+](Cc2cc3ccccc3[nH]2)C1 ZINC000426493090 231228488 /nfs/dbraw/zinc/22/84/88/231228488.db2.gz VVIKZTWMLBLPHG-GOSISDBHSA-N 2 2 378.524 3.272 50 0 GGAALP Cn1c(C[NH+]2CCCC2)nnc1[C@@H]1CCC[N@@H+](Cc2cc3ccccc3[nH]2)C1 ZINC000426493090 231228491 /nfs/dbraw/zinc/22/84/91/231228491.db2.gz VVIKZTWMLBLPHG-GOSISDBHSA-N 2 2 378.524 3.272 50 0 GGAALP Cc1ccc(-c2cccc(C(=O)N3CCC[C@H](Cn4cc[nH+]c4)C3)c2)c(N)[nH+]1 ZINC000426544281 231238063 /nfs/dbraw/zinc/23/80/63/231238063.db2.gz CWKUDJPZRBUYSL-QGZVFWFLSA-N 2 2 375.476 3.388 50 0 GGAALP CCc1ccc(C[N@@H+]2CCc3c(C(=O)N(C)[C@@H]4CC[NH+](C)C4)csc3C2)nc1 ZINC000426487427 529642474 /nfs/dbraw/zinc/64/24/74/529642474.db2.gz PNJLZVXOIKPALT-GOSISDBHSA-N 2 2 398.576 3.040 50 0 GGAALP CCc1ccc(C[N@H+]2CCc3c(C(=O)N(C)[C@@H]4CC[NH+](C)C4)csc3C2)nc1 ZINC000426487427 529642477 /nfs/dbraw/zinc/64/24/77/529642477.db2.gz PNJLZVXOIKPALT-GOSISDBHSA-N 2 2 398.576 3.040 50 0 GGAALP CCc1ccc(C[NH+]2CCc3c(C(=O)N(C)[C@@H]4CC[N@H+](C)C4)csc3C2)nc1 ZINC000426487427 529642479 /nfs/dbraw/zinc/64/24/79/529642479.db2.gz PNJLZVXOIKPALT-GOSISDBHSA-N 2 2 398.576 3.040 50 0 GGAALP CCc1ccc(C[NH+]2CCc3c(C(=O)N(C)[C@@H]4CC[N@@H+](C)C4)csc3C2)nc1 ZINC000426487427 529642483 /nfs/dbraw/zinc/64/24/83/529642483.db2.gz PNJLZVXOIKPALT-GOSISDBHSA-N 2 2 398.576 3.040 50 0 GGAALP CCc1ccc(C[N@H+]2CCc3c(C(=O)N4CC[NH+](CC)CC4)csc3C2)nc1 ZINC000426575160 529642912 /nfs/dbraw/zinc/64/29/12/529642912.db2.gz UAXVRDLBCFDSKC-UHFFFAOYSA-N 2 2 398.576 3.042 50 0 GGAALP CCc1ccc(C[N@@H+]2CCc3c(C(=O)N4CC[NH+](CC)CC4)csc3C2)nc1 ZINC000426575160 529642915 /nfs/dbraw/zinc/64/29/15/529642915.db2.gz UAXVRDLBCFDSKC-UHFFFAOYSA-N 2 2 398.576 3.042 50 0 GGAALP CCc1ccc(C[N@@H+]2CCc3c(C(=O)N4CCC[NH+](C)CC4)csc3C2)nc1 ZINC000426667335 529643142 /nfs/dbraw/zinc/64/31/42/529643142.db2.gz HMMLITZENGDWSS-UHFFFAOYSA-N 2 2 398.576 3.042 50 0 GGAALP CCc1ccc(C[N@H+]2CCc3c(C(=O)N4CCC[NH+](C)CC4)csc3C2)nc1 ZINC000426667335 529643143 /nfs/dbraw/zinc/64/31/43/529643143.db2.gz HMMLITZENGDWSS-UHFFFAOYSA-N 2 2 398.576 3.042 50 0 GGAALP CCc1ccc(C[NH+]2CCc3c(C(=O)N4CCC[N@H+](C)CC4)csc3C2)nc1 ZINC000426667335 529643145 /nfs/dbraw/zinc/64/31/45/529643145.db2.gz HMMLITZENGDWSS-UHFFFAOYSA-N 2 2 398.576 3.042 50 0 GGAALP CCc1ccc(C[NH+]2CCc3c(C(=O)N4CCC[N@@H+](C)CC4)csc3C2)nc1 ZINC000426667335 529643147 /nfs/dbraw/zinc/64/31/47/529643147.db2.gz HMMLITZENGDWSS-UHFFFAOYSA-N 2 2 398.576 3.042 50 0 GGAALP CCc1ccc(C[NH+]2CCc3c(C(=O)N[C@H]4CC[N@@H+](CC)C4)csc3C2)nc1 ZINC000426515471 529644409 /nfs/dbraw/zinc/64/44/09/529644409.db2.gz CWDPCNXNZUTWCP-SFHVURJKSA-N 2 2 398.576 3.088 50 0 GGAALP CCc1ccc(C[NH+]2CCc3c(C(=O)N[C@H]4CC[N@H+](CC)C4)csc3C2)nc1 ZINC000426515471 529644410 /nfs/dbraw/zinc/64/44/10/529644410.db2.gz CWDPCNXNZUTWCP-SFHVURJKSA-N 2 2 398.576 3.088 50 0 GGAALP CCc1ccc(C[N@H+]2CCc3c(C(=O)N[C@H]4CC[NH+](CC)C4)csc3C2)nc1 ZINC000426515471 529644412 /nfs/dbraw/zinc/64/44/12/529644412.db2.gz CWDPCNXNZUTWCP-SFHVURJKSA-N 2 2 398.576 3.088 50 0 GGAALP CCc1ccc(C[N@@H+]2CCc3c(C(=O)N[C@H]4CC[NH+](CC)C4)csc3C2)nc1 ZINC000426515471 529644414 /nfs/dbraw/zinc/64/44/14/529644414.db2.gz CWDPCNXNZUTWCP-SFHVURJKSA-N 2 2 398.576 3.088 50 0 GGAALP CN(Cc1c[nH+]c2ccccn12)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000426523289 530016351 /nfs/dbraw/zinc/01/63/51/530016351.db2.gz ZAZSGIWXNJRMJZ-LJQANCHMSA-N 2 2 377.492 3.140 50 0 GGAALP CN(Cc1c[nH+]c2ccccn12)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000426523289 530016352 /nfs/dbraw/zinc/01/63/52/530016352.db2.gz ZAZSGIWXNJRMJZ-LJQANCHMSA-N 2 2 377.492 3.140 50 0 GGAALP CC1(C)[NH+]=C(N)NC(=[NH2+])N1OCCCOc1cc(Cl)c(Cl)cc1Cl ZINC000003581056 204014219 /nfs/dbraw/zinc/01/42/19/204014219.db2.gz MJZJYWCQPMNPRM-UHFFFAOYSA-N 2 2 394.690 3.028 50 0 world GGAALP CC[NH+](CC)CCn1c[nH+]c2cc(NS(=O)(=O)c3ccc(F)cc3)ccc21 ZINC000004707944 204066074 /nfs/dbraw/zinc/06/60/74/204066074.db2.gz DFABQUSTOKTHRD-UHFFFAOYSA-N 2 2 390.484 3.318 50 0 GGAALP COc1ccc([C@H](O)Cn2c3ccccc3n(CC[NH+]3CCCCC3)c2=[NH2+])cc1 ZINC000004793837 204077148 /nfs/dbraw/zinc/07/71/48/204077148.db2.gz REWRNKZOHJNJGC-JOCHJYFZSA-N 2 2 394.519 3.150 50 0 GGAALP CC1(C)CC(N2C[N@@H+](C3CC(C)(C)[NH2+]C(C)(C)C3)CCC2=O)CC(C)(C)[NH2+]1 ZINC000004872760 204084738 /nfs/dbraw/zinc/08/47/38/204084738.db2.gz HXYMPEFUVKOMEX-UHFFFAOYSA-N 3 2 378.605 3.097 50 0 GGAALP CC1(C)CC(N2C[N@H+](C3CC(C)(C)[NH2+]C(C)(C)C3)CCC2=O)CC(C)(C)[NH2+]1 ZINC000004872760 204084741 /nfs/dbraw/zinc/08/47/41/204084741.db2.gz HXYMPEFUVKOMEX-UHFFFAOYSA-N 3 2 378.605 3.097 50 0 GGAALP COc1cc(C[NH2+]CCC[NH+]2CCOCC2)ccc1OCc1cccs1 ZINC000004488589 204046569 /nfs/dbraw/zinc/04/65/69/204046569.db2.gz NNRCURIZBRSUHI-UHFFFAOYSA-N 2 2 376.522 3.148 50 0 GGAALP COc1cc(C[NH2+]CCC[NH+]2CCOCC2)ccc1OCc1cccc(C)c1 ZINC000005019794 204103035 /nfs/dbraw/zinc/10/30/35/204103035.db2.gz JXMLOUFHORDYGL-UHFFFAOYSA-N 2 2 384.520 3.395 50 0 GGAALP COc1cc(C[NH2+]CCC[NH+]2CCOCC2)ccc1OCc1ccc(C)cc1 ZINC000005019799 204104013 /nfs/dbraw/zinc/10/40/13/204104013.db2.gz DRUIXDAPIHSUGN-UHFFFAOYSA-N 2 2 384.520 3.395 50 0 GGAALP Fc1ccccc1C[NH+]1CCC(C[N@@H+](Cc2c[nH]cn2)C[C@H]2CCCO2)CC1 ZINC000011661371 204347838 /nfs/dbraw/zinc/34/78/38/204347838.db2.gz OBKQBYHQGTVHHL-OAQYLSRUSA-N 2 2 386.515 3.442 50 0 GGAALP Fc1ccccc1C[NH+]1CCC(C[N@H+](Cc2c[nH]cn2)C[C@H]2CCCO2)CC1 ZINC000011661371 204347840 /nfs/dbraw/zinc/34/78/40/204347840.db2.gz OBKQBYHQGTVHHL-OAQYLSRUSA-N 2 2 386.515 3.442 50 0 GGAALP CCOc1ccccc1C[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)NC3CC3)C2)CC1 ZINC000011761106 204353204 /nfs/dbraw/zinc/35/32/04/204353204.db2.gz GDILQTLVSRQJSW-LJQANCHMSA-N 2 2 385.552 3.040 50 0 GGAALP CCOc1ccccc1C[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)NC3CC3)C2)CC1 ZINC000011761106 204353209 /nfs/dbraw/zinc/35/32/09/204353209.db2.gz GDILQTLVSRQJSW-LJQANCHMSA-N 2 2 385.552 3.040 50 0 GGAALP CCCC[C@H]1C[N@H+](CCNC(=O)CCn2cc[nH+]c2CC)Cc2ccccc2O1 ZINC000012155750 204377305 /nfs/dbraw/zinc/37/73/05/204377305.db2.gz JQKWYRLDBPQLSM-FQEVSTJZSA-N 2 2 398.551 3.405 50 0 GGAALP CCCC[C@H]1C[N@@H+](CCNC(=O)CCn2cc[nH+]c2CC)Cc2ccccc2O1 ZINC000012155750 204377309 /nfs/dbraw/zinc/37/73/09/204377309.db2.gz JQKWYRLDBPQLSM-FQEVSTJZSA-N 2 2 398.551 3.405 50 0 GGAALP Cn1cnnc1Sc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](CC2CC2)C3)o1 ZINC000055061207 205141544 /nfs/dbraw/zinc/14/15/44/205141544.db2.gz MGLIJXUKCLFXBA-FQEVSTJZSA-N 2 2 387.553 3.257 50 0 GGAALP Cn1cnnc1Sc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](CC2CC2)C3)o1 ZINC000055061207 205141548 /nfs/dbraw/zinc/14/15/48/205141548.db2.gz MGLIJXUKCLFXBA-FQEVSTJZSA-N 2 2 387.553 3.257 50 0 GGAALP Cn1cnnc1Sc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](CC2CC2)C3)o1 ZINC000055061207 205141550 /nfs/dbraw/zinc/14/15/50/205141550.db2.gz MGLIJXUKCLFXBA-FQEVSTJZSA-N 2 2 387.553 3.257 50 0 GGAALP Cn1cnnc1Sc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](CC2CC2)C3)o1 ZINC000055061207 205141555 /nfs/dbraw/zinc/14/15/55/205141555.db2.gz MGLIJXUKCLFXBA-FQEVSTJZSA-N 2 2 387.553 3.257 50 0 GGAALP CCOc1ccc(C[NH+]2CCC([NH+]3CCC(C(=O)NC(C)C)CC3)CC2)cc1 ZINC000055054128 205142288 /nfs/dbraw/zinc/14/22/88/205142288.db2.gz CBAZNIXJMXOPAU-UHFFFAOYSA-N 2 2 387.568 3.286 50 0 GGAALP Cn1cnnc1Sc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](CC2CC2)C3)o1 ZINC000055061208 205142368 /nfs/dbraw/zinc/14/23/68/205142368.db2.gz MGLIJXUKCLFXBA-HXUWFJFHSA-N 2 2 387.553 3.257 50 0 GGAALP Cn1cnnc1Sc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](CC2CC2)C3)o1 ZINC000055061208 205142371 /nfs/dbraw/zinc/14/23/71/205142371.db2.gz MGLIJXUKCLFXBA-HXUWFJFHSA-N 2 2 387.553 3.257 50 0 GGAALP Cn1cnnc1Sc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](CC2CC2)C3)o1 ZINC000055061208 205142375 /nfs/dbraw/zinc/14/23/75/205142375.db2.gz MGLIJXUKCLFXBA-HXUWFJFHSA-N 2 2 387.553 3.257 50 0 GGAALP Cn1cnnc1Sc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](CC2CC2)C3)o1 ZINC000055061208 205142377 /nfs/dbraw/zinc/14/23/77/205142377.db2.gz MGLIJXUKCLFXBA-HXUWFJFHSA-N 2 2 387.553 3.257 50 0 GGAALP CCCCc1[nH]c(C[NH+]2CCC(CCC(=O)NC[C@@H]3CCCO3)CC2)c[nH+]1 ZINC000055254360 205146248 /nfs/dbraw/zinc/14/62/48/205146248.db2.gz HHUUGSKPZUWMHX-IBGZPJMESA-N 2 2 376.545 3.040 50 0 GGAALP O=C(c1ccccc1)N1CCC([NH2+]CC[N@@H+]2CC[C@H](c3ccccc3)C2)CC1 ZINC000065371077 205231606 /nfs/dbraw/zinc/23/16/06/205231606.db2.gz YVUPTDPUAIFGQD-QFIPXVFZSA-N 2 2 377.532 3.370 50 0 GGAALP O=C(c1ccccc1)N1CCC([NH2+]CC[N@H+]2CC[C@H](c3ccccc3)C2)CC1 ZINC000065371077 205231609 /nfs/dbraw/zinc/23/16/09/205231609.db2.gz YVUPTDPUAIFGQD-QFIPXVFZSA-N 2 2 377.532 3.370 50 0 GGAALP Cc1[nH+]ccn1-c1cc(NCCNC(=O)Nc2ccc(C)cc2C)[nH+]c(C)n1 ZINC000067613318 205250688 /nfs/dbraw/zinc/25/06/88/205250688.db2.gz KRCIXDBTRIYNRT-UHFFFAOYSA-N 2 2 379.468 3.130 50 0 GGAALP CC(C)N(CC1CC1)C(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000071440504 205284937 /nfs/dbraw/zinc/28/49/37/205284937.db2.gz UKRHJXDCIWRFJY-QFIPXVFZSA-N 2 2 398.595 3.405 50 0 GGAALP CC(C)N(CC1CC1)C(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000071440504 205284941 /nfs/dbraw/zinc/28/49/41/205284941.db2.gz UKRHJXDCIWRFJY-QFIPXVFZSA-N 2 2 398.595 3.405 50 0 GGAALP O=C([C@H]1CCC[N@@H+](C2CC[NH+](C/C=C/c3ccccc3)CC2)C1)N1CCCC1 ZINC000071721526 205288004 /nfs/dbraw/zinc/28/80/04/205288004.db2.gz UMAGKMJHFSTCPG-FLVSMNSFSA-N 2 2 381.564 3.499 50 0 GGAALP O=C([C@H]1CCC[N@H+](C2CC[NH+](C/C=C/c3ccccc3)CC2)C1)N1CCCC1 ZINC000071721526 205288009 /nfs/dbraw/zinc/28/80/09/205288009.db2.gz UMAGKMJHFSTCPG-FLVSMNSFSA-N 2 2 381.564 3.499 50 0 GGAALP CCc1cccc(NC(=O)NCCNc2cc(-n3c[nH+]c(C)c3C)nc[nH+]2)c1 ZINC000072119400 205304555 /nfs/dbraw/zinc/30/45/55/205304555.db2.gz KIIUTHCDPPSUDF-UHFFFAOYSA-N 2 2 379.468 3.075 50 0 GGAALP CN(Cc1ccoc1)C(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000071747057 205290080 /nfs/dbraw/zinc/29/00/80/205290080.db2.gz JCELQUQFDMPRSJ-OAQYLSRUSA-N 2 2 396.535 3.010 50 0 GGAALP CN(Cc1ccoc1)C(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000071747057 205290085 /nfs/dbraw/zinc/29/00/85/205290085.db2.gz JCELQUQFDMPRSJ-OAQYLSRUSA-N 2 2 396.535 3.010 50 0 GGAALP O=C(NCc1cccnc1)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000071750950 205290485 /nfs/dbraw/zinc/29/04/85/205290485.db2.gz ZUNMKPBMWYTVOJ-FQEVSTJZSA-N 2 2 398.576 3.136 50 0 GGAALP O=C(NCc1cccnc1)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000071750950 205290490 /nfs/dbraw/zinc/29/04/90/205290490.db2.gz ZUNMKPBMWYTVOJ-FQEVSTJZSA-N 2 2 398.576 3.136 50 0 GGAALP O=C(NCc1cccnc1)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000071750949 205291284 /nfs/dbraw/zinc/29/12/84/205291284.db2.gz ZUNMKPBMWYTVOJ-HXUWFJFHSA-N 2 2 398.576 3.136 50 0 GGAALP O=C(NCc1cccnc1)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000071750949 205291289 /nfs/dbraw/zinc/29/12/89/205291289.db2.gz ZUNMKPBMWYTVOJ-HXUWFJFHSA-N 2 2 398.576 3.136 50 0 GGAALP O=C(NC1CC1)[C@@H]1CCC[N@@H+](C2CCN(c3cc(C(F)(F)F)cc[nH+]3)CC2)C1 ZINC000071752733 205291781 /nfs/dbraw/zinc/29/17/81/205291781.db2.gz UGYNPDTVHKHABI-CQSZACIVSA-N 2 2 396.457 3.060 50 0 GGAALP O=C(NC1CC1)[C@@H]1CCC[N@H+](C2CCN(c3cc(C(F)(F)F)cc[nH+]3)CC2)C1 ZINC000071752733 205291786 /nfs/dbraw/zinc/29/17/86/205291786.db2.gz UGYNPDTVHKHABI-CQSZACIVSA-N 2 2 396.457 3.060 50 0 GGAALP COc1cccc(C[N@@H+]2CCO[C@H](c3ccc(F)cc3)C2)c1OCC[NH+](C)C ZINC000071762404 205293060 /nfs/dbraw/zinc/29/30/60/205293060.db2.gz IXIXIZCLWDTXSQ-NRFANRHFSA-N 2 2 388.483 3.348 50 0 GGAALP COc1cccc(C[N@H+]2CCO[C@H](c3ccc(F)cc3)C2)c1OCC[NH+](C)C ZINC000071762404 205293063 /nfs/dbraw/zinc/29/30/63/205293063.db2.gz IXIXIZCLWDTXSQ-NRFANRHFSA-N 2 2 388.483 3.348 50 0 GGAALP CN(Cc1ccco1)C(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000071774948 205296641 /nfs/dbraw/zinc/29/66/41/205296641.db2.gz KGXUPFUBFBPSJI-HXUWFJFHSA-N 2 2 396.535 3.010 50 0 GGAALP CN(Cc1ccco1)C(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000071774948 205296645 /nfs/dbraw/zinc/29/66/45/205296645.db2.gz KGXUPFUBFBPSJI-HXUWFJFHSA-N 2 2 396.535 3.010 50 0 GGAALP Cc1[nH+]cn(-c2cc(NCCNC(=O)Nc3ccc(C)cc3Cl)[nH+]cn2)c1C ZINC000072115476 205305916 /nfs/dbraw/zinc/30/59/16/205305916.db2.gz HJEAUPHLJPZCEJ-UHFFFAOYSA-N 2 2 399.886 3.475 50 0 GGAALP C/C=C/C[N@@H+]1CCCn2nc(C[NH+](C)Cc3ccc4nsnc4c3)cc2C1 ZINC000072143586 205310103 /nfs/dbraw/zinc/31/01/03/205310103.db2.gz WWRPEBQEHXPURV-ONEGZZNKSA-N 2 2 382.537 3.302 50 0 GGAALP C/C=C/C[N@H+]1CCCn2nc(C[NH+](C)Cc3ccc4nsnc4c3)cc2C1 ZINC000072143586 205310108 /nfs/dbraw/zinc/31/01/08/205310108.db2.gz WWRPEBQEHXPURV-ONEGZZNKSA-N 2 2 382.537 3.302 50 0 GGAALP C/C=C/C[NH+]1CCCn2nc(C[N@H+](C)Cc3ccc4nsnc4c3)cc2C1 ZINC000072143586 205310113 /nfs/dbraw/zinc/31/01/13/205310113.db2.gz WWRPEBQEHXPURV-ONEGZZNKSA-N 2 2 382.537 3.302 50 0 GGAALP C/C=C/C[NH+]1CCCn2nc(C[N@@H+](C)Cc3ccc4nsnc4c3)cc2C1 ZINC000072143586 205310114 /nfs/dbraw/zinc/31/01/14/205310114.db2.gz WWRPEBQEHXPURV-ONEGZZNKSA-N 2 2 382.537 3.302 50 0 GGAALP O=C1CC[C@H]2C[N@H+](Cc3ccc4occc4c3)CC[C@H]2N1CCc1c[nH+]c[nH]1 ZINC000072462629 205352252 /nfs/dbraw/zinc/35/22/52/205352252.db2.gz LHWJEVKYGQBARA-AZUAARDMSA-N 2 2 378.476 3.212 50 0 GGAALP O=C1CC[C@H]2C[N@@H+](Cc3ccc4occc4c3)CC[C@H]2N1CCc1c[nH+]c[nH]1 ZINC000072462629 205352256 /nfs/dbraw/zinc/35/22/56/205352256.db2.gz LHWJEVKYGQBARA-AZUAARDMSA-N 2 2 378.476 3.212 50 0 GGAALP O=C1CC[C@H]2C[N@H+](Cc3ccc4occc4c3)CC[C@H]2N1CCc1c[nH]c[nH+]1 ZINC000072462629 205352260 /nfs/dbraw/zinc/35/22/60/205352260.db2.gz LHWJEVKYGQBARA-AZUAARDMSA-N 2 2 378.476 3.212 50 0 GGAALP O=C1CC[C@H]2C[N@@H+](Cc3ccc4occc4c3)CC[C@H]2N1CCc1c[nH]c[nH+]1 ZINC000072462629 205352264 /nfs/dbraw/zinc/35/22/64/205352264.db2.gz LHWJEVKYGQBARA-AZUAARDMSA-N 2 2 378.476 3.212 50 0 GGAALP O[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccc(OCc4ccccn4)cc3)CC2)C1 ZINC000072473437 205354113 /nfs/dbraw/zinc/35/41/13/205354113.db2.gz WZEAGMDLUGZTBU-QFIPXVFZSA-N 2 2 381.520 3.082 50 0 GGAALP O[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccc(OCc4ccccn4)cc3)CC2)C1 ZINC000072473437 205354117 /nfs/dbraw/zinc/35/41/17/205354117.db2.gz WZEAGMDLUGZTBU-QFIPXVFZSA-N 2 2 381.520 3.082 50 0 GGAALP COc1ccc(-c2ccccc2)cc1N1C(=O)[C@@H]2C[C@H]1C[N@H+]2CCn1cc[nH+]c1 ZINC000077322984 205359543 /nfs/dbraw/zinc/35/95/43/205359543.db2.gz GIEIPTMYWOBZGT-FPOVZHCZSA-N 2 2 388.471 3.048 50 0 GGAALP COc1ccc(-c2ccccc2)cc1N1C(=O)[C@@H]2C[C@H]1C[N@@H+]2CCn1cc[nH+]c1 ZINC000077322984 205359546 /nfs/dbraw/zinc/35/95/46/205359546.db2.gz GIEIPTMYWOBZGT-FPOVZHCZSA-N 2 2 388.471 3.048 50 0 GGAALP O=C([C@@H]1CCC[N@@H+]1Cc1ccccc1)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000072412394 205347834 /nfs/dbraw/zinc/34/78/34/205347834.db2.gz OIEJBFBJUUOISD-QFIPXVFZSA-N 2 2 381.495 3.135 50 0 GGAALP O=C([C@@H]1CCC[N@H+]1Cc1ccccc1)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000072412394 205347839 /nfs/dbraw/zinc/34/78/39/205347839.db2.gz OIEJBFBJUUOISD-QFIPXVFZSA-N 2 2 381.495 3.135 50 0 GGAALP O=C(NCC1CCCCC1)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000082087706 205385495 /nfs/dbraw/zinc/38/54/95/205385495.db2.gz DURSMJIPSSMSEB-QFIPXVFZSA-N 2 2 398.595 3.455 50 0 GGAALP O=C(NCC1CCCCC1)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000082087706 205385499 /nfs/dbraw/zinc/38/54/99/205385499.db2.gz DURSMJIPSSMSEB-QFIPXVFZSA-N 2 2 398.595 3.455 50 0 GGAALP CC1(C)CCCN1C(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000082087589 205385758 /nfs/dbraw/zinc/38/57/58/205385758.db2.gz JWYDBBOTQNUITQ-FQEVSTJZSA-N 2 2 384.568 3.159 50 0 GGAALP CC1(C)CCCN1C(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000082087589 205385762 /nfs/dbraw/zinc/38/57/62/205385762.db2.gz JWYDBBOTQNUITQ-FQEVSTJZSA-N 2 2 384.568 3.159 50 0 GGAALP CC(C)C1(CNC(=O)[C@@H]2CCC[N@@H+](C3CC[NH+](Cc4cccnc4)CC3)C2)CC1 ZINC000082128023 205387012 /nfs/dbraw/zinc/38/70/12/205387012.db2.gz JTVORVRRMAEZQW-OAQYLSRUSA-N 2 2 398.595 3.310 50 0 GGAALP CC(C)C1(CNC(=O)[C@@H]2CCC[N@H+](C3CC[NH+](Cc4cccnc4)CC3)C2)CC1 ZINC000082128023 205387017 /nfs/dbraw/zinc/38/70/17/205387017.db2.gz JTVORVRRMAEZQW-OAQYLSRUSA-N 2 2 398.595 3.310 50 0 GGAALP CN(CC(C)(C)C)C(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000082121708 205388213 /nfs/dbraw/zinc/38/82/13/205388213.db2.gz AXQKDOYZZVOGRS-FQEVSTJZSA-N 2 2 386.584 3.263 50 0 GGAALP CN(CC(C)(C)C)C(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000082121708 205388218 /nfs/dbraw/zinc/38/82/18/205388218.db2.gz AXQKDOYZZVOGRS-FQEVSTJZSA-N 2 2 386.584 3.263 50 0 GGAALP O=C(NCCC1CCCC1)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000082107769 205388335 /nfs/dbraw/zinc/38/83/35/205388335.db2.gz STFJEKKYUJIBQL-JOCHJYFZSA-N 2 2 398.595 3.455 50 0 GGAALP O=C(NCCC1CCCC1)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000082107769 205388338 /nfs/dbraw/zinc/38/83/38/205388338.db2.gz STFJEKKYUJIBQL-JOCHJYFZSA-N 2 2 398.595 3.455 50 0 GGAALP C[N@@H+]1CC[C@H](C(=O)N2CC[NH+](C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)C1 ZINC000082157442 205388968 /nfs/dbraw/zinc/38/89/68/205388968.db2.gz NEVMYYPOQNWVLY-IBGZPJMESA-N 2 2 399.485 3.150 50 0 GGAALP C[N@H+]1CC[C@H](C(=O)N2CC[NH+](C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)C1 ZINC000082157442 205388973 /nfs/dbraw/zinc/38/89/73/205388973.db2.gz NEVMYYPOQNWVLY-IBGZPJMESA-N 2 2 399.485 3.150 50 0 GGAALP Cc1[nH+]ccn1CCC(=O)N1CCC(c2[nH+]ccn2Cc2ccccc2)CC1 ZINC000082171150 205389697 /nfs/dbraw/zinc/38/96/97/205389697.db2.gz WVSOENKNIANTDC-UHFFFAOYSA-N 2 2 377.492 3.233 50 0 GGAALP Cc1[nH+]cn(-c2cc(NCCNC(=O)c3ccc(C)cc3C)[nH+]c(C)n2)c1C ZINC000082230614 205390405 /nfs/dbraw/zinc/39/04/05/205390405.db2.gz BMRVRMKXHIRNKN-UHFFFAOYSA-N 2 2 378.480 3.046 50 0 GGAALP CCc1ccccc1C[NH+]1CCC(c2nnc(Cn3cc[nH+]c3)n2CC)CC1 ZINC000096162321 205538549 /nfs/dbraw/zinc/53/85/49/205538549.db2.gz KVPKFJMNKZTTJU-UHFFFAOYSA-N 2 2 378.524 3.485 50 0 GGAALP COc1ccc(NC(=O)C[NH+]2CCC(Cn3cc[nH+]c3C)CC2)cc1Cl ZINC000244646881 206129607 /nfs/dbraw/zinc/12/96/07/206129607.db2.gz GQUKQRUPPHZEPT-UHFFFAOYSA-N 2 2 376.888 3.204 50 0 GGAALP CCCCc1[nH]c(C[NH+]2CCC3(CC[C@H](CNC(=O)C(C)C)O3)CC2)c[nH+]1 ZINC000299754962 206184182 /nfs/dbraw/zinc/18/41/82/206184182.db2.gz AFYMSDMFBAAGHR-GOSISDBHSA-N 2 2 376.545 3.038 50 0 GGAALP Cc1ccn2cc(CN3C(=O)CC[C@@H]3CC[NH2+]Cc3ccccc3F)[nH+]c2c1 ZINC000299758877 206185669 /nfs/dbraw/zinc/18/56/69/206185669.db2.gz DWRKHLHPUGANCT-LJQANCHMSA-N 2 2 380.467 3.453 50 0 GGAALP O=C([C@H]1CC12CC[NH+](CC1CC1)CC2)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000299759525 206186232 /nfs/dbraw/zinc/18/62/32/206186232.db2.gz UAFFQUZNZULPMR-KURNWNDPSA-N 2 2 393.575 3.356 50 0 GGAALP c1cn(-c2ccc(N3CCC([NH2+]C[C@H]4COc5ccccc5O4)CC3)cc2)c[nH+]1 ZINC000063872108 136156584 /nfs/dbraw/zinc/15/65/84/136156584.db2.gz NZYSHJAALNXONO-NRFANRHFSA-N 2 2 390.487 3.271 50 0 GGAALP CCC[NH+]1CCC([NH+]2CCN(c3nc4c(C)cccc4cc3CO)CC2)CC1 ZINC000067790776 136165039 /nfs/dbraw/zinc/16/50/39/136165039.db2.gz GVMAFGSZCNLNMS-UHFFFAOYSA-N 2 2 382.552 3.032 50 0 GGAALP Cc1ccc2[nH+]ccc(N3CCC[C@@H](c4nnc(Cn5cc[nH+]c5)n4C)C3)c2c1 ZINC000095385043 136178733 /nfs/dbraw/zinc/17/87/33/136178733.db2.gz DXJBBZBKAUMPGC-QGZVFWFLSA-N 2 2 387.491 3.301 50 0 GGAALP Cc1nnc([C@@H](C)[NH2+]C2CCN(c3cc(C)[nH+]c(-c4ccccc4)n3)CC2)[nH]1 ZINC000095497317 136179754 /nfs/dbraw/zinc/17/97/54/136179754.db2.gz AXHDLABWSZSRDP-OAHLLOKOSA-N 2 2 377.496 3.198 50 0 GGAALP O=C(Nc1ccccc1C[NH+]1CCCCC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000095526443 136181363 /nfs/dbraw/zinc/18/13/63/136181363.db2.gz QJHNYAGVMLNDKN-UHFFFAOYSA-N 2 2 379.508 3.422 50 0 GGAALP Cc1cc(C[NH2+]C2CCN(c3cc(C)[nH+]c(-c4ccccc4)n3)CC2)n(C)n1 ZINC000096150697 136184541 /nfs/dbraw/zinc/18/45/41/136184541.db2.gz FOHHFYQOVVQWBU-UHFFFAOYSA-N 2 2 376.508 3.253 50 0 GGAALP O=c1occ(C[NH+]2CCCCCC2)c(O)c1C[NH+]1CCN(c2ccccc2)CC1 ZINC000101411158 136189800 /nfs/dbraw/zinc/18/98/00/136189800.db2.gz DLDONWMYJUCBHU-UHFFFAOYSA-N 2 2 397.519 3.044 50 0 GGAALP Cc1ccc(C[NH2+]Cc2cccnc2N2CCN(c3cccc[nH+]3)CC2)s1 ZINC000019223389 136202585 /nfs/dbraw/zinc/20/25/85/136202585.db2.gz XYLJOKGPLVVPEA-UHFFFAOYSA-N 2 2 379.533 3.463 50 0 GGAALP CC(C)c1ccc(C[N@@H+]2CCC[C@@]3(CC[NH+](Cc4cc(=O)[nH]c(=O)[nH]4)C3)C2)cc1 ZINC000426529309 528093134 /nfs/dbraw/zinc/09/31/34/528093134.db2.gz NAEYQJBIZPXVOI-HSZRJFAPSA-N 2 2 396.535 3.499 50 0 GGAALP CC(C)c1ccc(C[N@H+]2CCC[C@@]3(CC[NH+](Cc4cc(=O)[nH]c(=O)[nH]4)C3)C2)cc1 ZINC000426529309 528093140 /nfs/dbraw/zinc/09/31/40/528093140.db2.gz NAEYQJBIZPXVOI-HSZRJFAPSA-N 2 2 396.535 3.499 50 0 GGAALP CC(C)c1ccc(C[NH+]2CCC[C@@]3(CC[N@H+](Cc4cc(=O)[nH]c(=O)[nH]4)C3)C2)cc1 ZINC000426529309 528093147 /nfs/dbraw/zinc/09/31/47/528093147.db2.gz NAEYQJBIZPXVOI-HSZRJFAPSA-N 2 2 396.535 3.499 50 0 GGAALP CC(C)c1ccc(C[NH+]2CCC[C@@]3(CC[N@@H+](Cc4cc(=O)[nH]c(=O)[nH]4)C3)C2)cc1 ZINC000426529309 528093151 /nfs/dbraw/zinc/09/31/51/528093151.db2.gz NAEYQJBIZPXVOI-HSZRJFAPSA-N 2 2 396.535 3.499 50 0 GGAALP CC(C)N(C)C(=O)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc(F)c(F)c1)C2 ZINC000426423680 528797954 /nfs/dbraw/zinc/79/79/54/528797954.db2.gz PKLMYWPLKVIYDK-NRFANRHFSA-N 2 2 379.495 3.120 50 0 GGAALP CC(C)N(C)C(=O)C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc(F)c(F)c1)C2 ZINC000426423680 528797959 /nfs/dbraw/zinc/79/79/59/528797959.db2.gz PKLMYWPLKVIYDK-NRFANRHFSA-N 2 2 379.495 3.120 50 0 GGAALP CC(C)N(C)C(=O)C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccc(F)c(F)c1)C2 ZINC000426423680 528797964 /nfs/dbraw/zinc/79/79/64/528797964.db2.gz PKLMYWPLKVIYDK-NRFANRHFSA-N 2 2 379.495 3.120 50 0 GGAALP CC(C)N(C)C(=O)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc(F)c(F)c1)C2 ZINC000426423680 528797967 /nfs/dbraw/zinc/79/79/67/528797967.db2.gz PKLMYWPLKVIYDK-NRFANRHFSA-N 2 2 379.495 3.120 50 0 GGAALP CC(C)NC(=O)CC[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1cccc(F)c1F)C2 ZINC000426419801 529120577 /nfs/dbraw/zinc/12/05/77/529120577.db2.gz PPPPCGKFPBTCNR-NRFANRHFSA-N 2 2 379.495 3.167 50 0 GGAALP CC(C)NC(=O)CC[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1cccc(F)c1F)C2 ZINC000426419801 529120578 /nfs/dbraw/zinc/12/05/78/529120578.db2.gz PPPPCGKFPBTCNR-NRFANRHFSA-N 2 2 379.495 3.167 50 0 GGAALP CC(C)NC(=O)CC[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1cccc(F)c1F)C2 ZINC000426419801 529120580 /nfs/dbraw/zinc/12/05/80/529120580.db2.gz PPPPCGKFPBTCNR-NRFANRHFSA-N 2 2 379.495 3.167 50 0 GGAALP CC(C)NC(=O)CC[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1cccc(F)c1F)C2 ZINC000426419801 529120584 /nfs/dbraw/zinc/12/05/84/529120584.db2.gz PPPPCGKFPBTCNR-NRFANRHFSA-N 2 2 379.495 3.167 50 0 GGAALP CCc1c[nH+]c(C)nc1N1CCC([NH2+]Cc2c(F)ccc(OC)c2F)CC1 ZINC000096163000 536019741 /nfs/dbraw/zinc/01/97/41/536019741.db2.gz NKFXDDZVPMEQMQ-UHFFFAOYSA-N 2 2 376.451 3.393 50 0 GGAALP CCc1c[nH+]c(C)nc1N1CCC([NH2+]Cc2cc(-c3ccccn3)no2)CC1 ZINC000095527662 536019755 /nfs/dbraw/zinc/01/97/55/536019755.db2.gz OOQRILFVZCCQAJ-UHFFFAOYSA-N 2 2 378.480 3.156 50 0 GGAALP CCc1c(C)[nH+]c(C)nc1N1CCC2(CC1)c1[nH]cnc1CC[N@H+]2CC(C)C ZINC000095506100 536069809 /nfs/dbraw/zinc/06/98/09/536069809.db2.gz GNQVKVJTGVPARQ-UHFFFAOYSA-N 2 2 382.556 3.389 50 0 GGAALP CCc1c(C)[nH+]c(C)nc1N1CCC2(CC1)c1[nH]cnc1CC[N@@H+]2CC(C)C ZINC000095506100 536069813 /nfs/dbraw/zinc/06/98/13/536069813.db2.gz GNQVKVJTGVPARQ-UHFFFAOYSA-N 2 2 382.556 3.389 50 0 GGAALP CCc1cc(N2CCC([NH+]3CC(Oc4ccccc4OC)C3)CC2)nc(C)[nH+]1 ZINC000096163291 536144127 /nfs/dbraw/zinc/14/41/27/536144127.db2.gz XQWINWQPZDBCES-UHFFFAOYSA-N 2 2 382.508 3.088 50 0 GGAALP CC[N@@H+]1C[C@@H](c2ccccc2)CC2(CC[NH+](Cc3noc(COC)n3)CC2)C1 ZINC000096132375 570211526 /nfs/dbraw/zinc/21/15/26/570211526.db2.gz UEHATTVUEHKHCK-IBGZPJMESA-N 2 2 384.524 3.308 50 0 GGAALP CC[N@H+]1C[C@@H](c2ccccc2)CC2(CC[NH+](Cc3noc(COC)n3)CC2)C1 ZINC000096132375 570211529 /nfs/dbraw/zinc/21/15/29/570211529.db2.gz UEHATTVUEHKHCK-IBGZPJMESA-N 2 2 384.524 3.308 50 0 GGAALP CCn1c(C[NH+](C)C)nnc1C1CC[NH+](Cc2cc3ccccc3n2C)CC1 ZINC000096139932 570212836 /nfs/dbraw/zinc/21/28/36/570212836.db2.gz DTJUIDWRAUWIPX-UHFFFAOYSA-N 2 2 380.540 3.231 50 0 GGAALP CCn1c(Cn2cc[nH+]c2)nnc1C1CC[NH+](Cc2ccc(C)c(F)c2)CC1 ZINC000096153437 570216260 /nfs/dbraw/zinc/21/62/60/570216260.db2.gz XBZBWBXFBVQQOQ-UHFFFAOYSA-N 2 2 382.487 3.370 50 0 GGAALP CC(C)(CNC(=O)CCc1cn2ccccc2[nH+]1)[N@@H+]1CCc2ccccc2C1 ZINC000097638034 570248024 /nfs/dbraw/zinc/24/80/24/570248024.db2.gz IBHALZPZSUSAET-UHFFFAOYSA-N 2 2 376.504 3.220 50 0 GGAALP CC(C)(CNC(=O)CCc1cn2ccccc2[nH+]1)[N@H+]1CCc2ccccc2C1 ZINC000097638034 570248027 /nfs/dbraw/zinc/24/80/27/570248027.db2.gz IBHALZPZSUSAET-UHFFFAOYSA-N 2 2 376.504 3.220 50 0 GGAALP COc1ccc(Nc2[nH+]cnc3c2c(C)c(C)n3CC[NH+]2CCOCC2)cc1 ZINC000020573771 570268906 /nfs/dbraw/zinc/26/89/06/570268906.db2.gz AHBZKFVGNKJNML-UHFFFAOYSA-N 2 2 381.480 3.133 50 0 GGAALP Cc1ccc(C[N@@H+]2CCC[C@H](N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)C2)o1 ZINC000020995707 570286354 /nfs/dbraw/zinc/28/63/54/570286354.db2.gz YGXJQIBOWATFGF-FQEVSTJZSA-N 2 2 397.519 3.099 50 0 GGAALP Cc1ccc(C[N@H+]2CCC[C@H](N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)C2)o1 ZINC000020995707 570286357 /nfs/dbraw/zinc/28/63/57/570286357.db2.gz YGXJQIBOWATFGF-FQEVSTJZSA-N 2 2 397.519 3.099 50 0 GGAALP c1ccc(OCC[NH+]2CCOCC2)c(C[NH+]2CCC(c3ccncc3)CC2)c1 ZINC000216336958 570299292 /nfs/dbraw/zinc/29/92/92/570299292.db2.gz XGVWKSSPRQSBOP-UHFFFAOYSA-N 2 2 381.520 3.172 50 0 GGAALP Cc1ccc(-n2cc[nH+]c2N2CC[NH+](CC(=O)Nc3cccc(C)c3)CC2)cc1 ZINC000011695757 570344090 /nfs/dbraw/zinc/34/40/90/570344090.db2.gz QTBDVULQFZZPAZ-UHFFFAOYSA-N 2 2 389.503 3.250 50 0 GGAALP Cc1ccc(-c2noc(CCC[NH+]3CCN(c4cc(C)[nH+]c(C)n4)CC3)n2)cc1 ZINC000032923447 570396966 /nfs/dbraw/zinc/39/69/66/570396966.db2.gz FZEWXDHUNPWSHV-UHFFFAOYSA-N 2 2 392.507 3.207 50 0 GGAALP O=C(NC1CC[NH+](CCc2ccccc2)CC1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000263972783 570545139 /nfs/dbraw/zinc/54/51/39/570545139.db2.gz XNRUDWSFTQMMMK-LJQANCHMSA-N 2 2 381.524 3.006 50 0 GGAALP Cc1[nH+]ccn1-c1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3cnc(C)nc3)C2)cc1 ZINC000036382364 570564818 /nfs/dbraw/zinc/56/48/18/570564818.db2.gz BFAXEXRADMZPMP-IBGZPJMESA-N 2 2 390.491 3.130 50 0 GGAALP Cc1[nH+]ccn1-c1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3cnc(C)nc3)C2)cc1 ZINC000036382364 570564823 /nfs/dbraw/zinc/56/48/23/570564823.db2.gz BFAXEXRADMZPMP-IBGZPJMESA-N 2 2 390.491 3.130 50 0 GGAALP CC(=O)c1cnn(-c2cc(NCCC[NH+](C)C)[nH+]c(-c3ccccc3)n2)c1C ZINC000005425756 570590238 /nfs/dbraw/zinc/59/02/38/570590238.db2.gz XWLXUCIZQAYVKY-UHFFFAOYSA-N 2 2 378.480 3.204 50 0 GGAALP O=c1c(C[NH2+]CCn2cc[nH+]c2)cc2ccc(F)cc2n1CCc1ccccc1 ZINC000012055295 570601906 /nfs/dbraw/zinc/60/19/06/570601906.db2.gz ZXWFQRMGGXORSY-UHFFFAOYSA-N 2 2 390.462 3.370 50 0 GGAALP C[N@H+](CCc1ccccc1)[C@H]1CCCN(C(=O)CCc2cn3ccccc3[nH+]2)C1 ZINC000012446875 570666947 /nfs/dbraw/zinc/66/69/47/570666947.db2.gz FCHOPHDQSROZBX-QFIPXVFZSA-N 2 2 390.531 3.432 50 0 GGAALP C[N@@H+](CCc1ccccc1)[C@H]1CCCN(C(=O)CCc2cn3ccccc3[nH+]2)C1 ZINC000012446875 570666949 /nfs/dbraw/zinc/66/69/49/570666949.db2.gz FCHOPHDQSROZBX-QFIPXVFZSA-N 2 2 390.531 3.432 50 0 GGAALP Cc1c[nH]c(CNC(=O)c2cc(C[NH+]3CCC(Cc4ccccc4)CC3)on2)[nH+]1 ZINC000011817112 570799138 /nfs/dbraw/zinc/79/91/38/570799138.db2.gz APNNWGSJGFSMFQ-UHFFFAOYSA-N 2 2 393.491 3.091 50 0 GGAALP O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000015074686 570878416 /nfs/dbraw/zinc/87/84/16/570878416.db2.gz LIYUMUSICVHZEI-LJQANCHMSA-N 2 2 378.451 3.406 50 0 GGAALP O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2F)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000015074686 570878417 /nfs/dbraw/zinc/87/84/17/570878417.db2.gz LIYUMUSICVHZEI-LJQANCHMSA-N 2 2 378.451 3.406 50 0 GGAALP O=C(NC1CC1)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000019222315 570963435 /nfs/dbraw/zinc/96/34/35/570963435.db2.gz WOCKBVHYUTUALB-QGZVFWFLSA-N 2 2 375.944 3.295 50 0 GGAALP O=C(NC1CC1)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000019222315 570963438 /nfs/dbraw/zinc/96/34/38/570963438.db2.gz WOCKBVHYUTUALB-QGZVFWFLSA-N 2 2 375.944 3.295 50 0 GGAALP O=C(NC1CC1)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000019222319 570963506 /nfs/dbraw/zinc/96/35/06/570963506.db2.gz WOCKBVHYUTUALB-KRWDZBQOSA-N 2 2 375.944 3.295 50 0 GGAALP O=C(NC1CC1)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000019222319 570963509 /nfs/dbraw/zinc/96/35/09/570963509.db2.gz WOCKBVHYUTUALB-KRWDZBQOSA-N 2 2 375.944 3.295 50 0 GGAALP COc1cc(-c2[nH]c3ccc(N4CC[NH+](C)CC4)cc3[nH+]2)cc(OC)c1OC ZINC000001390266 570978007 /nfs/dbraw/zinc/97/80/07/570978007.db2.gz MDRZBFNKPZFCGE-UHFFFAOYSA-N 2 2 382.464 3.008 50 0 GGAALP O=C(Cn1cc[nH+]c1-c1ccccc1)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000091390672 571005863 /nfs/dbraw/zinc/00/58/63/571005863.db2.gz LXYZVLXYEWDSNQ-UHFFFAOYSA-N 2 2 380.517 3.346 50 0 GGAALP O=C(Cn1cc[nH+]c1-c1ccccc1)N1CCC[N@@H+](Cc2cccs2)CC1 ZINC000091390672 571005864 /nfs/dbraw/zinc/00/58/64/571005864.db2.gz LXYZVLXYEWDSNQ-UHFFFAOYSA-N 2 2 380.517 3.346 50 0 GGAALP CCN1CCc2[nH+]c[nH]c2C12CC[NH+](Cc1ccc3c(c1)CC(C)(C)O3)CC2 ZINC000091724427 571027995 /nfs/dbraw/zinc/02/79/95/571027995.db2.gz NNNFQYLGULSWQF-UHFFFAOYSA-N 2 2 380.536 3.493 50 0 GGAALP CCCCn1cc[nH+]c1C1CC[NH+](Cc2ccc(S(C)(=O)=O)cc2)CC1 ZINC000091746907 571029257 /nfs/dbraw/zinc/02/92/57/571029257.db2.gz PANBQEVSFXQUAQ-UHFFFAOYSA-N 2 2 375.538 3.466 50 0 GGAALP Cc1nc2ccc(C(=O)N3CCC(c4[nH+]ccn4CCC[NH+](C)C)CC3)cc2o1 ZINC000095353458 571051071 /nfs/dbraw/zinc/05/10/71/571051071.db2.gz JYZGMUDOZDOFHK-UHFFFAOYSA-N 2 2 395.507 3.304 50 0 GGAALP C[NH+](C)CCCn1cc[nH+]c1C1CCN(C(=O)c2c(F)cccc2F)CC1 ZINC000095354475 571051660 /nfs/dbraw/zinc/05/16/60/571051660.db2.gz HPPUUEICZZBTSY-UHFFFAOYSA-N 2 2 376.451 3.133 50 0 GGAALP COc1cccc(F)c1C(=O)N1CCC(c2[nH+]ccn2CCC[NH+](C)C)CC1 ZINC000095355977 571052043 /nfs/dbraw/zinc/05/20/43/571052043.db2.gz SMJQACKCXHBNKE-UHFFFAOYSA-N 2 2 388.487 3.002 50 0 GGAALP C[NH+](C)CCCn1cc[nH+]c1[C@H]1CCCN(C(=O)c2ccc(F)cc2F)C1 ZINC000095368998 571059832 /nfs/dbraw/zinc/05/98/32/571059832.db2.gz LRINSXUXQCFRSZ-HNNXBMFYSA-N 2 2 376.451 3.133 50 0 GGAALP CCC[NH+]1CCC(N2C[C@@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CC[NH+]3CC2)CC1 ZINC000095369637 571060351 /nfs/dbraw/zinc/06/03/51/571060351.db2.gz AOTVWDBMGJVQHU-TUACAJSNSA-N 2 2 397.563 3.152 50 0 GGAALP CC(=O)c1ccc(C(=O)N2CCC(c3[nH+]ccn3CCC[NH+](C)C)CC2)s1 ZINC000095375417 571064366 /nfs/dbraw/zinc/06/43/66/571064366.db2.gz HNMMQSWGSDBLDD-UHFFFAOYSA-N 2 2 388.537 3.119 50 0 GGAALP O=C(c1cccc([C@H]2CCC[NH2+]C2)c1)N1CC[NH+](Cc2ccccc2F)CC1 ZINC000095386186 571070414 /nfs/dbraw/zinc/07/04/14/571070414.db2.gz UQGUGASORMEPHV-FQEVSTJZSA-N 2 2 381.495 3.251 50 0 GGAALP O=C(CC[N@H+]1C[C@H]2CC[C@H](C[NH+]2Cc2ccccc2)C1)NCc1cccs1 ZINC000095388614 571071524 /nfs/dbraw/zinc/07/15/24/571071524.db2.gz FZTNAYXGAYFBGL-VQTJNVASSA-N 2 2 383.561 3.351 50 0 GGAALP O=C(CC[N@@H+]1C[C@H]2CC[C@H](C[NH+]2Cc2ccccc2)C1)NCc1cccs1 ZINC000095388614 571071526 /nfs/dbraw/zinc/07/15/26/571071526.db2.gz FZTNAYXGAYFBGL-VQTJNVASSA-N 2 2 383.561 3.351 50 0 GGAALP O=C(CC[NH+]1C[C@H]2CC[C@H](C[N@H+]2Cc2ccccc2)C1)NCc1cccs1 ZINC000095388614 571071528 /nfs/dbraw/zinc/07/15/28/571071528.db2.gz FZTNAYXGAYFBGL-VQTJNVASSA-N 2 2 383.561 3.351 50 0 GGAALP O=C(CC[NH+]1C[C@H]2CC[C@H](C[N@@H+]2Cc2ccccc2)C1)NCc1cccs1 ZINC000095388614 571071530 /nfs/dbraw/zinc/07/15/30/571071530.db2.gz FZTNAYXGAYFBGL-VQTJNVASSA-N 2 2 383.561 3.351 50 0 GGAALP Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@@H](c1cccnc1)[NH+]1CCCC1 ZINC000095391111 571072716 /nfs/dbraw/zinc/07/27/16/571072716.db2.gz SMVAPDMFHUAVTM-OAQYLSRUSA-N 2 2 375.476 3.029 50 0 GGAALP C[NH+](C)CCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)Cc2c(F)cccc2F)C1 ZINC000095496947 571074446 /nfs/dbraw/zinc/07/44/46/571074446.db2.gz UTHBGPYLMFXJLI-MRXNPFEDSA-N 2 2 390.478 3.062 50 0 GGAALP COc1ccccc1NC(=O)N1CCC[C@@H](c2[nH+]ccn2CCC[NH+](C)C)C1 ZINC000095497278 571074549 /nfs/dbraw/zinc/07/45/49/571074549.db2.gz YQSMDRNNIZERJO-QGZVFWFLSA-N 2 2 385.512 3.255 50 0 GGAALP C[NH+](C)CCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2cc3ccccc3[nH]2)C1 ZINC000095498712 571075333 /nfs/dbraw/zinc/07/53/33/571075333.db2.gz RFBXYILOLZHHAJ-GOSISDBHSA-N 2 2 379.508 3.336 50 0 GGAALP C[NH+](C)CCn1cc[nH+]c1C1CCN(C(=O)c2ccc(Cl)cc2F)CC1 ZINC000095500948 571076285 /nfs/dbraw/zinc/07/62/85/571076285.db2.gz UFJOKBCAEKXSEU-UHFFFAOYSA-N 2 2 378.879 3.257 50 0 GGAALP Cc1ccc(CNC(=O)N2CCC[C@@H](c3[nH+]ccn3CCC[NH+](C)C)C2)cc1 ZINC000095502248 571076742 /nfs/dbraw/zinc/07/67/42/571076742.db2.gz CFYYWBAPFCRXKC-HXUWFJFHSA-N 2 2 383.540 3.232 50 0 GGAALP CCc1[nH+]ccn1CC(=O)N1CCC(c2[nH+]ccn2Cc2ccccc2)CC1 ZINC000095504440 571077934 /nfs/dbraw/zinc/07/79/34/571077934.db2.gz YPMIWMBYENCBFF-UHFFFAOYSA-N 2 2 377.492 3.097 50 0 GGAALP C[NH+](C)CCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2cccc(F)c2F)C1 ZINC000095511418 571082501 /nfs/dbraw/zinc/08/25/01/571082501.db2.gz LMGHSBWQCYZBEK-OAHLLOKOSA-N 2 2 376.451 3.133 50 0 GGAALP C[NH+](C)CCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)NCc2ccccc2F)C1 ZINC000095512999 571083448 /nfs/dbraw/zinc/08/34/48/571083448.db2.gz VCDXKCAHHFKKPX-GOSISDBHSA-N 2 2 387.503 3.063 50 0 GGAALP C[NH+](C)CCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2ccc3cc[nH]c3c2)C1 ZINC000095521960 571087459 /nfs/dbraw/zinc/08/74/59/571087459.db2.gz PBZVDKBZWLASJK-LJQANCHMSA-N 2 2 379.508 3.336 50 0 GGAALP O=C1CC2(CN1Cc1cc(F)cc(F)c1)CC[NH+](CCCn1cc[nH+]c1)CC2 ZINC000095522674 571088251 /nfs/dbraw/zinc/08/82/51/571088251.db2.gz RTESTQWEURCKLU-UHFFFAOYSA-N 2 2 388.462 3.066 50 0 GGAALP CC(C)/C=C/C[NH+]1CCC([NH+]2CCC(C(=O)NCc3ccccn3)CC2)CC1 ZINC000012308594 1399038498 /nfs/dbraw/zinc/03/84/98/1399038498.db2.gz FLHPCKYOZVBWJQ-AATRIKPKSA-N 2 2 384.568 3.086 50 0 GGAALP CC(C)c1csc(C[N@@H+]2CCC[C@@H](CCC(=O)N3CC[NH+](C)CC3)C2)n1 ZINC000012584740 1399049064 /nfs/dbraw/zinc/04/90/64/1399049064.db2.gz HAFTXSMHZBIYIR-KRWDZBQOSA-N 2 2 378.586 3.033 50 0 GGAALP CC(C)c1csc(C[N@H+]2CCC[C@@H](CCC(=O)N3CC[NH+](C)CC3)C2)n1 ZINC000012584740 1399049069 /nfs/dbraw/zinc/04/90/69/1399049069.db2.gz HAFTXSMHZBIYIR-KRWDZBQOSA-N 2 2 378.586 3.033 50 0 GGAALP CCOC(=O)c1cnn(-c2ccccc2Cl)c1C[NH2+]CCCn1cc[nH+]c1 ZINC000014984587 1399130410 /nfs/dbraw/zinc/13/04/10/1399130410.db2.gz VTHDGCRUWSGNKU-UHFFFAOYSA-N 2 2 387.871 3.079 50 0 GGAALP COc1cccc(C[N@@H+]2CCC[C@]3(CC[NH+](Cc4cnn(C)c4C)C3)C2)c1OC ZINC000015074420 1399136833 /nfs/dbraw/zinc/13/68/33/1399136833.db2.gz AWBSNXLYHWCNNK-QHCPKHFHSA-N 2 2 398.551 3.234 50 0 GGAALP COc1cccc(C[N@H+]2CCC[C@]3(CC[NH+](Cc4cnn(C)c4C)C3)C2)c1OC ZINC000015074420 1399136840 /nfs/dbraw/zinc/13/68/40/1399136840.db2.gz AWBSNXLYHWCNNK-QHCPKHFHSA-N 2 2 398.551 3.234 50 0 GGAALP COc1cccc(C[NH+]2CCC[C@]3(CC[N@H+](Cc4cnn(C)c4C)C3)C2)c1OC ZINC000015074420 1399136848 /nfs/dbraw/zinc/13/68/48/1399136848.db2.gz AWBSNXLYHWCNNK-QHCPKHFHSA-N 2 2 398.551 3.234 50 0 GGAALP COc1cccc(C[NH+]2CCC[C@]3(CC[N@@H+](Cc4cnn(C)c4C)C3)C2)c1OC ZINC000015074420 1399136851 /nfs/dbraw/zinc/13/68/51/1399136851.db2.gz AWBSNXLYHWCNNK-QHCPKHFHSA-N 2 2 398.551 3.234 50 0 GGAALP CCCc1cc(=O)[nH]c(-c2ccc(C[NH+]3CCC([NH+]4CCCC4)CC3)cc2)n1 ZINC000020995651 1399360353 /nfs/dbraw/zinc/36/03/53/1399360353.db2.gz TYFYRVUUOBNQGQ-UHFFFAOYSA-N 2 2 380.536 3.450 50 0 GGAALP CN(CC[NH+](C)C)[C@@H]1CCC[N@H+](Cc2nc(-c3ccc(F)cc3)cs2)C1 ZINC000022919003 1399517828 /nfs/dbraw/zinc/51/78/28/1399517828.db2.gz FURXCVMTIPSCDD-GOSISDBHSA-N 2 2 376.545 3.407 50 0 GGAALP CN(CC[NH+](C)C)[C@@H]1CCC[N@@H+](Cc2nc(-c3ccc(F)cc3)cs2)C1 ZINC000022919003 1399517833 /nfs/dbraw/zinc/51/78/33/1399517833.db2.gz FURXCVMTIPSCDD-GOSISDBHSA-N 2 2 376.545 3.407 50 0 GGAALP Cc1nc([C@H](C)[N@H+](C)Cc2ccc(-c3nc(CC[NH3+])cc(=O)[nH]3)cc2)c(C)s1 ZINC000023505962 1399566309 /nfs/dbraw/zinc/56/63/09/1399566309.db2.gz FZSZXYRYKAGHSE-ZDUSSCGKSA-N 2 2 397.548 3.204 50 0 GGAALP Cc1nc([C@H](C)[N@@H+](C)Cc2ccc(-c3nc(CC[NH3+])cc(=O)[nH]3)cc2)c(C)s1 ZINC000023505962 1399566316 /nfs/dbraw/zinc/56/63/16/1399566316.db2.gz FZSZXYRYKAGHSE-ZDUSSCGKSA-N 2 2 397.548 3.204 50 0 GGAALP O=C([C@H]1CCCN(c2cccc[nH+]2)C1)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000047832710 1404967590 /nfs/dbraw/zinc/96/75/90/1404967590.db2.gz QVFSFTSFNWBAHW-SFHVURJKSA-N 2 2 384.549 3.094 50 0 GGAALP O=C([C@H]1CCCN(c2cccc[nH+]2)C1)N1CCC[N@@H+](Cc2cccs2)CC1 ZINC000047832710 1404967599 /nfs/dbraw/zinc/96/75/99/1404967599.db2.gz QVFSFTSFNWBAHW-SFHVURJKSA-N 2 2 384.549 3.094 50 0 GGAALP O=c1[nH]c(-c2ccc(C[N@@H+]3CCC[C@@H]3c3nccs3)cc2)nc2c1C[NH2+]CC2 ZINC000096879111 1410337314 /nfs/dbraw/zinc/33/73/14/1410337314.db2.gz NJBTXVUDSNWIJH-GOSISDBHSA-N 2 2 393.516 3.289 50 0 GGAALP O=c1[nH]c(-c2ccc(C[N@H+]3CCC[C@@H]3c3nccs3)cc2)nc2c1C[NH2+]CC2 ZINC000096879111 1410337323 /nfs/dbraw/zinc/33/73/23/1410337323.db2.gz NJBTXVUDSNWIJH-GOSISDBHSA-N 2 2 393.516 3.289 50 0 GGAALP CCOc1ccccc1C[N@@H+]1CCC[C@@H](c2nnc(C[NH+]3CCCC3)n2C)C1 ZINC000426431741 231221238 /nfs/dbraw/zinc/22/12/38/231221238.db2.gz FRCBBYUNXHLZDU-LJQANCHMSA-N 2 2 383.540 3.189 50 0 GGAALP CCOc1ccccc1C[N@H+]1CCC[C@@H](c2nnc(C[NH+]3CCCC3)n2C)C1 ZINC000426431741 231221242 /nfs/dbraw/zinc/22/12/42/231221242.db2.gz FRCBBYUNXHLZDU-LJQANCHMSA-N 2 2 383.540 3.189 50 0 GGAALP Cc1c[nH+]ccc1N1CCN(C(=O)c2ccc(-c3c[nH+]c(N)c(C)c3)cc2)CC1 ZINC000426503181 231231368 /nfs/dbraw/zinc/23/13/68/231231368.db2.gz LUSAWKHKMOFSEB-UHFFFAOYSA-N 2 2 387.487 3.135 50 0 GGAALP Cn1c(C[NH+]2CCCC2)nnc1[C@H]1CCC[N@H+](C/C=C/c2ccc(F)cc2)C1 ZINC000426551957 231240949 /nfs/dbraw/zinc/24/09/49/231240949.db2.gz IYNUTPAIPYOTDB-OQBYNLHGSA-N 2 2 383.515 3.443 50 0 GGAALP Cn1c(C[NH+]2CCCC2)nnc1[C@H]1CCC[N@@H+](C/C=C/c2ccc(F)cc2)C1 ZINC000426551957 231240951 /nfs/dbraw/zinc/24/09/51/231240951.db2.gz IYNUTPAIPYOTDB-OQBYNLHGSA-N 2 2 383.515 3.443 50 0 GGAALP CCc1ccc(C[N@@H+]2CCc3c(C(=O)N4CCC[C@@H](C[NH3+])C4)csc3C2)nc1 ZINC000426386981 529643745 /nfs/dbraw/zinc/64/37/45/529643745.db2.gz AOSXXXJPWQUPGB-KRWDZBQOSA-N 2 2 398.576 3.075 50 0 GGAALP CCc1ccc(C[N@H+]2CCc3c(C(=O)N4CCC[C@@H](C[NH3+])C4)csc3C2)nc1 ZINC000426386981 529643747 /nfs/dbraw/zinc/64/37/47/529643747.db2.gz AOSXXXJPWQUPGB-KRWDZBQOSA-N 2 2 398.576 3.075 50 0 GGAALP CCc1ccc(C[N@@H+]2CCc3c(C(=O)N4CCCC[C@@H]4C[NH3+])csc3C2)nc1 ZINC000426574855 529643796 /nfs/dbraw/zinc/64/37/96/529643796.db2.gz VYDSVSXXRCVYGG-GOSISDBHSA-N 2 2 398.576 3.217 50 0 GGAALP CCc1ccc(C[N@H+]2CCc3c(C(=O)N4CCCC[C@@H]4C[NH3+])csc3C2)nc1 ZINC000426574855 529643797 /nfs/dbraw/zinc/64/37/97/529643797.db2.gz VYDSVSXXRCVYGG-GOSISDBHSA-N 2 2 398.576 3.217 50 0 GGAALP CCc1ccc(C[N@@H+]2CCc3c(C(=O)N4CCCC[C@H]4C[NH3+])csc3C2)nc1 ZINC000426574859 529643833 /nfs/dbraw/zinc/64/38/33/529643833.db2.gz VYDSVSXXRCVYGG-SFHVURJKSA-N 2 2 398.576 3.217 50 0 GGAALP CCc1ccc(C[N@H+]2CCc3c(C(=O)N4CCCC[C@H]4C[NH3+])csc3C2)nc1 ZINC000426574859 529643836 /nfs/dbraw/zinc/64/38/36/529643836.db2.gz VYDSVSXXRCVYGG-SFHVURJKSA-N 2 2 398.576 3.217 50 0 GGAALP COc1ccc([C@@H]2[NH2+]CCc3c4ccccc4[nH]c32)cc1C[NH+]1CCOCC1 ZINC000002100916 206398135 /nfs/dbraw/zinc/39/81/35/206398135.db2.gz ATYLIZXFQMGDRD-QFIPXVFZSA-N 2 2 377.488 3.244 50 0 biogenic GGAALP C[NH+](C)C[C@@](C)(O)c1ccc2c(c1)C[N@@H+](Cc1ccc(F)cc1F)CCO2 ZINC000014992797 207039099 /nfs/dbraw/zinc/03/90/99/207039099.db2.gz CXABZHZSDLCGCZ-OAQYLSRUSA-N 2 2 376.447 3.129 50 0 GGAALP C[NH+](C)C[C@@](C)(O)c1ccc2c(c1)C[N@H+](Cc1ccc(F)cc1F)CCO2 ZINC000014992797 207039106 /nfs/dbraw/zinc/03/91/06/207039106.db2.gz CXABZHZSDLCGCZ-OAQYLSRUSA-N 2 2 376.447 3.129 50 0 GGAALP CCn1cc(C[N@H+](CCOC)C[C@H]2CCC[NH+](C3Cc4ccccc4C3)C2)cn1 ZINC000015074557 207046965 /nfs/dbraw/zinc/04/69/65/207046965.db2.gz BWTVJSRSLXVGIB-HXUWFJFHSA-N 2 2 396.579 3.231 50 0 GGAALP CCn1cc(C[N@@H+](CCOC)C[C@H]2CCC[NH+](C3Cc4ccccc4C3)C2)cn1 ZINC000015074557 207046969 /nfs/dbraw/zinc/04/69/69/207046969.db2.gz BWTVJSRSLXVGIB-HXUWFJFHSA-N 2 2 396.579 3.231 50 0 GGAALP CCn1cc(C[NH+](CCOC)C[C@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)cn1 ZINC000015074557 207046972 /nfs/dbraw/zinc/04/69/72/207046972.db2.gz BWTVJSRSLXVGIB-HXUWFJFHSA-N 2 2 396.579 3.231 50 0 GGAALP CCn1cc(C[NH+](CCOC)C[C@H]2CCC[N@H+](C3Cc4ccccc4C3)C2)cn1 ZINC000015074557 207046976 /nfs/dbraw/zinc/04/69/76/207046976.db2.gz BWTVJSRSLXVGIB-HXUWFJFHSA-N 2 2 396.579 3.231 50 0 GGAALP C[C@@H]1CCC(=O)N1c1ccc(N2CCC([N@@H+]3CC[C@@H](n4cc[nH+]c4)C3)CC2)cc1 ZINC000019300499 207114398 /nfs/dbraw/zinc/11/43/98/207114398.db2.gz KWCSLOJBJUSRCR-XMSQKQJNSA-N 2 2 393.535 3.314 50 0 GGAALP C[C@@H]1CCC(=O)N1c1ccc(N2CCC([N@H+]3CC[C@@H](n4cc[nH+]c4)C3)CC2)cc1 ZINC000019300499 207114403 /nfs/dbraw/zinc/11/44/03/207114403.db2.gz KWCSLOJBJUSRCR-XMSQKQJNSA-N 2 2 393.535 3.314 50 0 GGAALP c1ccc(C[NH+]2CCC(N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)CC2)cc1 ZINC000019636571 207143860 /nfs/dbraw/zinc/14/38/60/207143860.db2.gz ZEQLSMXBCVKDBU-UHFFFAOYSA-N 2 2 393.531 3.198 50 0 GGAALP c1ccc(C[NH+]2CCC([NH+]3CCN(Cc4ccc5c(c4)OCO5)CC3)CC2)cc1 ZINC000019636571 207143865 /nfs/dbraw/zinc/14/38/65/207143865.db2.gz ZEQLSMXBCVKDBU-UHFFFAOYSA-N 2 2 393.531 3.198 50 0 GGAALP CC(C)[NH+]1CCC(N2CC[N@H+](Cc3ccc(Cl)cc3)C[C@@H]2CCO)CC1 ZINC000019782135 207161807 /nfs/dbraw/zinc/16/18/07/207161807.db2.gz MDLWSWSDMXURMD-NRFANRHFSA-N 2 2 379.976 3.081 50 0 GGAALP CC(C)[NH+]1CCC(N2CC[N@@H+](Cc3ccc(Cl)cc3)C[C@@H]2CCO)CC1 ZINC000019782135 207161812 /nfs/dbraw/zinc/16/18/12/207161812.db2.gz MDLWSWSDMXURMD-NRFANRHFSA-N 2 2 379.976 3.081 50 0 GGAALP CC(C)[NH+]1CCC([N@@H+]2CCN(Cc3ccc(Cl)cc3)C[C@@H]2CCO)CC1 ZINC000019782135 207161814 /nfs/dbraw/zinc/16/18/14/207161814.db2.gz MDLWSWSDMXURMD-NRFANRHFSA-N 2 2 379.976 3.081 50 0 GGAALP CC(C)[NH+]1CCC([N@H+]2CCN(Cc3ccc(Cl)cc3)C[C@@H]2CCO)CC1 ZINC000019782135 207161818 /nfs/dbraw/zinc/16/18/18/207161818.db2.gz MDLWSWSDMXURMD-NRFANRHFSA-N 2 2 379.976 3.081 50 0 GGAALP Cc1nn(C(C)C)c(C)c1C[NH2+]C[C@H]1C[C@@H](CO)[N@H+](C)[C@H]1c1ccccc1F ZINC000020209178 207184276 /nfs/dbraw/zinc/18/42/76/207184276.db2.gz CSBWIWMEDWOQPU-KGVIQGDOSA-N 2 2 388.531 3.363 50 0 GGAALP Cc1nn(C(C)C)c(C)c1C[NH2+]C[C@H]1C[C@@H](CO)[N@@H+](C)[C@H]1c1ccccc1F ZINC000020209178 207184279 /nfs/dbraw/zinc/18/42/79/207184279.db2.gz CSBWIWMEDWOQPU-KGVIQGDOSA-N 2 2 388.531 3.363 50 0 GGAALP CCn1cc[nH+]c1CN1CCC[C@@H]([N@H+](C)CCc2ccc(OC)c(OC)c2)C1 ZINC000023373379 207276013 /nfs/dbraw/zinc/27/60/13/207276013.db2.gz XPTIYWRWNCKLBW-LJQANCHMSA-N 2 2 386.540 3.059 50 0 GGAALP CCn1cc[nH+]c1CN1CCC[C@@H]([N@@H+](C)CCc2ccc(OC)c(OC)c2)C1 ZINC000023373379 207276015 /nfs/dbraw/zinc/27/60/15/207276015.db2.gz XPTIYWRWNCKLBW-LJQANCHMSA-N 2 2 386.540 3.059 50 0 GGAALP C[NH2+]C1CC[NH+](Cc2cccc(-c3nc(-c4cc(C)oc4C)cc(=O)[nH]3)c2)CC1 ZINC000023379746 207276724 /nfs/dbraw/zinc/27/67/24/207276724.db2.gz VHMCEQCXVHNPLU-UHFFFAOYSA-N 2 2 392.503 3.498 50 0 GGAALP CN(CC[NH+](C)C)[C@H]1CCC[N@H+](Cc2nc(-c3ccc(F)cc3)cs2)C1 ZINC000022919008 207265614 /nfs/dbraw/zinc/26/56/14/207265614.db2.gz FURXCVMTIPSCDD-SFHVURJKSA-N 2 2 376.545 3.407 50 0 GGAALP CN(CC[NH+](C)C)[C@H]1CCC[N@@H+](Cc2nc(-c3ccc(F)cc3)cs2)C1 ZINC000022919008 207265618 /nfs/dbraw/zinc/26/56/18/207265618.db2.gz FURXCVMTIPSCDD-SFHVURJKSA-N 2 2 376.545 3.407 50 0 GGAALP COCC[N@@H+]1CCC[C@]2(CC[NH+](Cc3c(C)nc4ccc(Cl)cn43)C2)C1 ZINC000012306390 207287833 /nfs/dbraw/zinc/28/78/33/207287833.db2.gz QKBXNNLXYRSJBR-FQEVSTJZSA-N 2 2 376.932 3.230 50 0 GGAALP COCC[N@H+]1CCC[C@]2(CC[NH+](Cc3c(C)nc4ccc(Cl)cn43)C2)C1 ZINC000012306390 207287837 /nfs/dbraw/zinc/28/78/37/207287837.db2.gz QKBXNNLXYRSJBR-FQEVSTJZSA-N 2 2 376.932 3.230 50 0 GGAALP COCC[NH+]1CCC[C@]2(CC[N@H+](Cc3c(C)nc4ccc(Cl)cn43)C2)C1 ZINC000012306390 207287841 /nfs/dbraw/zinc/28/78/41/207287841.db2.gz QKBXNNLXYRSJBR-FQEVSTJZSA-N 2 2 376.932 3.230 50 0 GGAALP COCC[NH+]1CCC[C@]2(CC[N@@H+](Cc3c(C)nc4ccc(Cl)cn43)C2)C1 ZINC000012306390 207287844 /nfs/dbraw/zinc/28/78/44/207287844.db2.gz QKBXNNLXYRSJBR-FQEVSTJZSA-N 2 2 376.932 3.230 50 0 GGAALP COCC[N@@H+]1CCC[C@]2(CCN(Cc3c(C)[nH+]c4ccc(Cl)cn43)C2)C1 ZINC000012306390 207287849 /nfs/dbraw/zinc/28/78/49/207287849.db2.gz QKBXNNLXYRSJBR-FQEVSTJZSA-N 2 2 376.932 3.230 50 0 GGAALP COCC[N@H+]1CCC[C@]2(CCN(Cc3c(C)[nH+]c4ccc(Cl)cn43)C2)C1 ZINC000012306390 207287853 /nfs/dbraw/zinc/28/78/53/207287853.db2.gz QKBXNNLXYRSJBR-FQEVSTJZSA-N 2 2 376.932 3.230 50 0 GGAALP C[NH+]1CCN(c2ccccc2C[N@@H+]2CCc3[nH]nc(C4CCCC4)c3C2)CC1 ZINC000023505891 207277632 /nfs/dbraw/zinc/27/76/32/207277632.db2.gz BHIUXVOFDRLNFI-UHFFFAOYSA-N 2 2 379.552 3.377 50 0 GGAALP C[NH+]1CCN(c2ccccc2C[N@H+]2CCc3[nH]nc(C4CCCC4)c3C2)CC1 ZINC000023505891 207277641 /nfs/dbraw/zinc/27/76/41/207277641.db2.gz BHIUXVOFDRLNFI-UHFFFAOYSA-N 2 2 379.552 3.377 50 0 GGAALP C[NH+]1CCN(c2ccccc2C[N@@H+]2CCc3n[nH]c(C4CCCC4)c3C2)CC1 ZINC000023505891 207277644 /nfs/dbraw/zinc/27/76/44/207277644.db2.gz BHIUXVOFDRLNFI-UHFFFAOYSA-N 2 2 379.552 3.377 50 0 GGAALP C[NH+]1CCN(c2ccccc2C[N@H+]2CCc3n[nH]c(C4CCCC4)c3C2)CC1 ZINC000023505891 207277648 /nfs/dbraw/zinc/27/76/48/207277648.db2.gz BHIUXVOFDRLNFI-UHFFFAOYSA-N 2 2 379.552 3.377 50 0 GGAALP O=C1CC[C@H]2C[N@H+](Cc3ccc(Cl)s3)CC[C@H]2N1CCc1c[nH+]c[nH]1 ZINC000072421081 208019636 /nfs/dbraw/zinc/01/96/36/208019636.db2.gz BCFNYRDLNNSFAN-XJKSGUPXSA-N 2 2 378.929 3.180 50 0 GGAALP O=C1CC[C@H]2C[N@@H+](Cc3ccc(Cl)s3)CC[C@H]2N1CCc1c[nH+]c[nH]1 ZINC000072421081 208019641 /nfs/dbraw/zinc/01/96/41/208019641.db2.gz BCFNYRDLNNSFAN-XJKSGUPXSA-N 2 2 378.929 3.180 50 0 GGAALP O=C1CC[C@H]2C[N@H+](Cc3ccc(Cl)s3)CC[C@H]2N1CCc1c[nH]c[nH+]1 ZINC000072421081 208019649 /nfs/dbraw/zinc/01/96/49/208019649.db2.gz BCFNYRDLNNSFAN-XJKSGUPXSA-N 2 2 378.929 3.180 50 0 GGAALP O=C1CC[C@H]2C[N@@H+](Cc3ccc(Cl)s3)CC[C@H]2N1CCc1c[nH]c[nH+]1 ZINC000072421081 208019655 /nfs/dbraw/zinc/01/96/55/208019655.db2.gz BCFNYRDLNNSFAN-XJKSGUPXSA-N 2 2 378.929 3.180 50 0 GGAALP c1cn(-c2ccc(N3CCCCCC3)[nH+]c2)c(-c2cc3n(n2)CCC[NH2+]C3)n1 ZINC000072410631 208020599 /nfs/dbraw/zinc/02/05/99/208020599.db2.gz NYDAJBCNIJKASK-UHFFFAOYSA-N 2 2 377.496 3.005 50 0 GGAALP 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379.468 3.075 50 0 GGAALP OC[C@@H]1C[C@H](C[NH+]2CCOCC2)C[N@H+](Cc2ccc(-c3ccccc3)cc2)C1 ZINC000091616393 208126863 /nfs/dbraw/zinc/12/68/63/208126863.db2.gz VQDWVRQKXABRLB-FGZHOGPDSA-N 2 2 380.532 3.116 50 0 GGAALP OC[C@@H]1C[C@H](C[NH+]2CCOCC2)C[N@@H+](Cc2ccc(-c3ccccc3)cc2)C1 ZINC000091616393 208126870 /nfs/dbraw/zinc/12/68/70/208126870.db2.gz VQDWVRQKXABRLB-FGZHOGPDSA-N 2 2 380.532 3.116 50 0 GGAALP O=C1CC[C@@]2(CCC[N@@H+](Cc3cc(F)ccc3F)C2)CN1CCc1c[nH+]c[nH]1 ZINC000091625484 208129295 /nfs/dbraw/zinc/12/92/95/208129295.db2.gz WYMHTTHCEMKFRS-OAQYLSRUSA-N 2 2 388.462 3.135 50 0 GGAALP O=C1CC[C@@]2(CCC[N@H+](Cc3cc(F)ccc3F)C2)CN1CCc1c[nH+]c[nH]1 ZINC000091625484 208129302 /nfs/dbraw/zinc/12/93/02/208129302.db2.gz WYMHTTHCEMKFRS-OAQYLSRUSA-N 2 2 388.462 3.135 50 0 GGAALP O=C1CC[C@@]2(CCC[N@@H+](Cc3cc(F)ccc3F)C2)CN1CCc1c[nH]c[nH+]1 ZINC000091625484 208129310 /nfs/dbraw/zinc/12/93/10/208129310.db2.gz WYMHTTHCEMKFRS-OAQYLSRUSA-N 2 2 388.462 3.135 50 0 GGAALP O=C1CC[C@@]2(CCC[N@H+](Cc3cc(F)ccc3F)C2)CN1CCc1c[nH]c[nH+]1 ZINC000091625484 208129313 /nfs/dbraw/zinc/12/93/13/208129313.db2.gz WYMHTTHCEMKFRS-OAQYLSRUSA-N 2 2 388.462 3.135 50 0 GGAALP OC[C@H]1C[N@H+](Cc2cnc(C3CCCCC3)nc2)C[C@H]1C[NH+]1CCCCCC1 ZINC000091321677 208114988 /nfs/dbraw/zinc/11/49/88/208114988.db2.gz XOUAYLZOBWJGPZ-FGZHOGPDSA-N 2 2 386.584 3.441 50 0 GGAALP OC[C@H]1C[N@@H+](Cc2cnc(C3CCCCC3)nc2)C[C@H]1C[NH+]1CCCCCC1 ZINC000091321677 208114993 /nfs/dbraw/zinc/11/49/93/208114993.db2.gz XOUAYLZOBWJGPZ-FGZHOGPDSA-N 2 2 386.584 3.441 50 0 GGAALP C[NH+](C)CCCn1cc[nH+]c1C1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000095352503 208157602 /nfs/dbraw/zinc/15/76/02/208157602.db2.gz FBEKQPWWFSHVMN-LEWJYISDSA-N 2 2 380.536 3.345 50 0 GGAALP Cc1ccc(C[N@H+]2CCC[C@@H](c3nnc(Cn4cc[nH+]c4)n3C)C2)c(F)c1F ZINC000095356230 208158375 /nfs/dbraw/zinc/15/83/75/208158375.db2.gz FAQQBWFTOCXGPQ-MRXNPFEDSA-N 2 2 386.450 3.026 50 0 GGAALP Cc1ccc(C[N@@H+]2CCC[C@@H](c3nnc(Cn4cc[nH+]c4)n3C)C2)c(F)c1F 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/nfs/dbraw/zinc/16/08/04/208160804.db2.gz LZPHLYWZIFSSAB-RBZQAINGSA-N 2 2 383.580 3.432 50 0 GGAALP O=C(c1ccc([C@H]2CCC[NH2+]C2)cc1)N1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000095365666 208165119 /nfs/dbraw/zinc/16/51/19/208165119.db2.gz KZUCCSNGWNQACH-NRFANRHFSA-N 2 2 381.495 3.251 50 0 GGAALP COc1cc(C(=O)N2CCC(c3[nH+]ccn3CCC[NH+](C)C)CC2)ccc1F ZINC000095390168 208175049 /nfs/dbraw/zinc/17/50/49/208175049.db2.gz STMBOCYJLKUHLN-UHFFFAOYSA-N 2 2 388.487 3.002 50 0 GGAALP Cn1c(Cn2cc[nH+]c2)nnc1[C@H]1CCC[N@H+](C/C=C/c2ccc(F)cc2)C1 ZINC000095383651 208172368 /nfs/dbraw/zinc/17/23/68/208172368.db2.gz QKULUAHJPQNOQI-BWDYHRDRSA-N 2 2 380.471 3.092 50 0 GGAALP Cn1c(Cn2cc[nH+]c2)nnc1[C@H]1CCC[N@@H+](C/C=C/c2ccc(F)cc2)C1 ZINC000095383651 208172375 /nfs/dbraw/zinc/17/23/75/208172375.db2.gz QKULUAHJPQNOQI-BWDYHRDRSA-N 2 2 380.471 3.092 50 0 GGAALP O=C(c1cccc(-c2[nH]cc[nH+]2)c1)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccn1)C2 ZINC000095384184 208172673 /nfs/dbraw/zinc/17/26/73/208172673.db2.gz NIOVYSFVBJSBHJ-LAUBAEHRSA-N 2 2 387.487 3.208 50 0 GGAALP O=C(c1cccc(-c2[nH]cc[nH+]2)c1)N1C[C@H]2CC[C@@H]1C[N@@H+](Cc1ccccn1)C2 ZINC000095384184 208172680 /nfs/dbraw/zinc/17/26/80/208172680.db2.gz NIOVYSFVBJSBHJ-LAUBAEHRSA-N 2 2 387.487 3.208 50 0 GGAALP Cc1cc(F)ccc1C[NH+]1CCC2(CCC(=O)N(CCc3c[nH+]c[nH]3)C2)CC1 ZINC000091988043 208143594 /nfs/dbraw/zinc/14/35/94/208143594.db2.gz YKRRRQBYVXMYRN-UHFFFAOYSA-N 2 2 384.499 3.305 50 0 GGAALP Cc1cc(F)ccc1C[NH+]1CCC2(CCC(=O)N(CCc3c[nH]c[nH+]3)C2)CC1 ZINC000091988043 208143598 /nfs/dbraw/zinc/14/35/98/208143598.db2.gz YKRRRQBYVXMYRN-UHFFFAOYSA-N 2 2 384.499 3.305 50 0 GGAALP COCCn1cc[nH+]c1C1CCN(C(=O)c2ccc([C@H]3CCC[NH2+]3)s2)CC1 ZINC000095509984 208210020 /nfs/dbraw/zinc/21/00/20/208210020.db2.gz MKECRSWZUWFMPN-MRXNPFEDSA-N 2 2 388.537 3.035 50 0 GGAALP Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@H](c1cccnc1)[NH+]1CCCC1 ZINC000095391112 208177601 /nfs/dbraw/zinc/17/76/01/208177601.db2.gz SMVAPDMFHUAVTM-NRFANRHFSA-N 2 2 375.476 3.029 50 0 GGAALP C[NH+](C)CCCn1cc[nH+]c1C1CCN(C(=O)c2ccc(O)c(Cl)c2)CC1 ZINC000095497800 208198076 /nfs/dbraw/zinc/19/80/76/208198076.db2.gz RIHRAQBMDUMRNU-UHFFFAOYSA-N 2 2 390.915 3.214 50 0 GGAALP CC(=O)c1ccc(C(=O)N2CCC[C@H](c3[nH+]ccn3CCC[NH+](C)C)C2)cc1 ZINC000095497142 208198211 /nfs/dbraw/zinc/19/82/11/208198211.db2.gz KGNQMYKXYSDGCC-FQEVSTJZSA-N 2 2 382.508 3.057 50 0 GGAALP Cc1ccc(CNC(=O)N2CCC[C@H](c3[nH+]ccn3CCC[NH+](C)C)C2)cc1 ZINC000095502247 208203643 /nfs/dbraw/zinc/20/36/43/208203643.db2.gz CFYYWBAPFCRXKC-FQEVSTJZSA-N 2 2 383.540 3.232 50 0 GGAALP C[NH+](C)CCCn1cc[nH+]c1[C@H]1CCCN(C(=O)CSc2ccccc2)C1 ZINC000095509836 208212038 /nfs/dbraw/zinc/21/20/38/208212038.db2.gz MAEHOKLBLOCLHQ-SFHVURJKSA-N 2 2 386.565 3.333 50 0 GGAALP CCCOc1ccc(C(=O)N2CCC(c3[nH+]ccn3CC[NH+](C)C)CC2)cc1 ZINC000095511474 208212308 /nfs/dbraw/zinc/21/23/08/208212308.db2.gz OWEQIUBNZXZTBA-UHFFFAOYSA-N 2 2 384.524 3.253 50 0 GGAALP C[NH+](C)CCCn1cc[nH+]c1[C@H]1CCCN(C(=O)NCC2CCCCC2)C1 ZINC000095526209 208225446 /nfs/dbraw/zinc/22/54/46/208225446.db2.gz FQGAWOSYZMMGBP-IBGZPJMESA-N 2 2 375.561 3.304 50 0 GGAALP COc1cccc(C[NH+]2CCC(c3nnc(C[NH+]4CCCCC4)n3C)CC2)c1 ZINC000096140894 208272164 /nfs/dbraw/zinc/27/21/64/208272164.db2.gz GSGXZFCWFGXKPB-UHFFFAOYSA-N 2 2 383.540 3.189 50 0 GGAALP CCCN1CCc2[nH+]c[nH]c2C12CC[NH+](Cc1cccc(-n3cccn3)c1)CC2 ZINC000096149222 208276414 /nfs/dbraw/zinc/27/64/14/208276414.db2.gz IYDIDFMPWXYPOQ-UHFFFAOYSA-N 2 2 390.535 3.355 50 0 GGAALP CCn1c(Cn2cc[nH+]c2)nnc1C1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000096132824 208269757 /nfs/dbraw/zinc/26/97/57/208269757.db2.gz KVOJCTILJGFGLC-RMKNXTFCSA-N 2 2 376.508 3.436 50 0 GGAALP CCn1c(Cn2cc[nH+]c2)nnc1C1CC[NH+](Cc2ccc(F)c(C)c2)CC1 ZINC000096165464 208280497 /nfs/dbraw/zinc/28/04/97/208280497.db2.gz DWBNLMXOLBVGJI-UHFFFAOYSA-N 2 2 382.487 3.370 50 0 GGAALP CCn1c(C[NH+]2CCCC2)nnc1C1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000096164956 208282412 /nfs/dbraw/zinc/28/24/12/208282412.db2.gz DTDGQEDWHFMPNV-UHFFFAOYSA-N 2 2 383.540 3.282 50 0 GGAALP Fc1ccc(C[NH+]2CCC(c3nnc(Cn4cc[nH+]c4)n3C3CC3)CC2)cc1 ZINC000096180443 208283064 /nfs/dbraw/zinc/28/30/64/208283064.db2.gz KHSLGFQKFMMWFN-UHFFFAOYSA-N 2 2 380.471 3.377 50 0 GGAALP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(Oc2nnnn2-c2ccccc2)cc1 ZINC000096319054 208305892 /nfs/dbraw/zinc/30/58/92/208305892.db2.gz YTNXCRLQDGIVCC-LJQANCHMSA-N 2 2 378.480 3.029 50 0 GGAALP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(Oc2nnnn2-c2ccccc2)cc1 ZINC000096319054 208305897 /nfs/dbraw/zinc/30/58/97/208305897.db2.gz YTNXCRLQDGIVCC-LJQANCHMSA-N 2 2 378.480 3.029 50 0 GGAALP Cc1ccc(C[NH+]2CCC(CNC(=O)CCc3cn4ccccc4[nH+]3)CC2)o1 ZINC000097619124 208359127 /nfs/dbraw/zinc/35/91/27/208359127.db2.gz XFVGYKXNFGDOSJ-UHFFFAOYSA-N 2 2 380.492 3.197 50 0 GGAALP Fc1ccc([C@H]2C[N@H+](CCN3CC[NH+](Cc4ccccc4)CC3)CCO2)cc1 ZINC000244748718 209024426 /nfs/dbraw/zinc/02/44/26/209024426.db2.gz ONBTZMWLZOTDEX-HSZRJFAPSA-N 2 2 383.511 3.017 50 0 GGAALP Fc1ccc([C@H]2C[N@@H+](CCN3CC[NH+](Cc4ccccc4)CC3)CCO2)cc1 ZINC000244748718 209024431 /nfs/dbraw/zinc/02/44/31/209024431.db2.gz ONBTZMWLZOTDEX-HSZRJFAPSA-N 2 2 383.511 3.017 50 0 GGAALP O[C@H]1CCCN(c2cc[nH+]c(NCc3ccc[nH+]c3N3CCCCCCC3)n2)C1 ZINC000067774273 136165020 /nfs/dbraw/zinc/16/50/20/136165020.db2.gz LPRWFDBNYPJUAJ-IBGZPJMESA-N 2 2 396.539 3.215 50 0 GGAALP Cc1ccc[nH+]c1N1CCN(C(=O)c2ccc([C@H](C)[NH+]3CCCCC3)o2)CC1 ZINC000091934115 136177369 /nfs/dbraw/zinc/17/73/69/136177369.db2.gz CZJPSDODVZRJSZ-SFHVURJKSA-N 2 2 382.508 3.492 50 0 GGAALP Cc1ccc[nH+]c1N1CCN(C(=O)c2ccc([C@@H](C)[NH+]3CCCCC3)o2)CC1 ZINC000091934113 136177441 /nfs/dbraw/zinc/17/74/41/136177441.db2.gz CZJPSDODVZRJSZ-GOSISDBHSA-N 2 2 382.508 3.492 50 0 GGAALP CC(C)=CCN1CC2(CC1=O)CCN(c1ccc(Cn3cc[nH+]c3)c[nH+]1)CC2 ZINC000091973975 136177450 /nfs/dbraw/zinc/17/74/50/136177450.db2.gz KAFXFYQVTNUQIB-UHFFFAOYSA-N 2 2 379.508 3.112 50 0 GGAALP CCCc1cc(N2CCC([NH2+]Cc3cn4ccc(C)cc4n3)CC2)nc(C)[nH+]1 ZINC000095506433 136180197 /nfs/dbraw/zinc/18/01/97/136180197.db2.gz JRGRPUODCBVJKF-UHFFFAOYSA-N 2 2 378.524 3.452 50 0 GGAALP CC(C)Nc1cc(N2CCC[C@@H](c3[nH+]ccn3Cc3cscn3)C2)nc[nH+]1 ZINC000095528152 136181602 /nfs/dbraw/zinc/18/16/02/136181602.db2.gz CSEHREINZFHDSH-OAHLLOKOSA-N 2 2 383.525 3.382 50 0 GGAALP CC(C)Nc1cc(N2CCC[C@H](c3[nH+]ccn3Cc3cscn3)C2)nc[nH+]1 ZINC000095528151 136181604 /nfs/dbraw/zinc/18/16/04/136181604.db2.gz CSEHREINZFHDSH-HNNXBMFYSA-N 2 2 383.525 3.382 50 0 GGAALP Cc1nc2sccc2c(N2CCC([NH2+][C@H]3Cc4ccccc4[C@@H]3[NH3+])CC2)n1 ZINC000096133416 136184114 /nfs/dbraw/zinc/18/41/14/136184114.db2.gz DYHVFAIFYVENJC-OALUTQOASA-N 2 2 379.533 3.183 50 0 GGAALP Cc1cc(N2CC[N@@H+](C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)nc2ccccc12 ZINC000106973161 136191566 /nfs/dbraw/zinc/19/15/66/136191566.db2.gz QWLMZZBGPQUACO-NRFANRHFSA-N 2 2 396.579 3.289 50 0 GGAALP Cc1cc(N2CC[N@H+](C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)nc2ccccc12 ZINC000106973161 136191567 /nfs/dbraw/zinc/19/15/67/136191567.db2.gz QWLMZZBGPQUACO-NRFANRHFSA-N 2 2 396.579 3.289 50 0 GGAALP C[NH+]1CCC(O)(c2ccc3c(c2)C[N@@H+](Cc2ccc(F)cc2F)CCO3)CC1 ZINC000299764881 209085122 /nfs/dbraw/zinc/08/51/22/209085122.db2.gz VFCPKXVQRATKPW-UHFFFAOYSA-N 2 2 388.458 3.273 50 0 GGAALP C[NH+]1CCC(O)(c2ccc3c(c2)C[N@H+](Cc2ccc(F)cc2F)CCO3)CC1 ZINC000299764881 209085127 /nfs/dbraw/zinc/08/51/27/209085127.db2.gz VFCPKXVQRATKPW-UHFFFAOYSA-N 2 2 388.458 3.273 50 0 GGAALP C[NH+](C)Cc1ccc(N2CCC[C@H](c3[nH+]ccn3Cc3ccncc3)C2)nc1 ZINC000091526687 536013106 /nfs/dbraw/zinc/01/31/06/536013106.db2.gz LXRBKYWBUCYOCC-FQEVSTJZSA-N 2 2 376.508 3.167 50 0 GGAALP CCc1c[nH+]c(C)nc1N1CCC([NH2+]Cc2cnn(-c3ccccc3)c2)CC1 ZINC000095501307 536020142 /nfs/dbraw/zinc/02/01/42/536020142.db2.gz SGWVJKRLAPRMAC-UHFFFAOYSA-N 2 2 376.508 3.292 50 0 GGAALP C[NH+]1CCC2(CC1)CN(C(=O)Cc1ccc(Cl)c(Cl)c1)CCC[N@@H+]2C ZINC000067773607 564798882 /nfs/dbraw/zinc/79/88/82/564798882.db2.gz WDFFGJDHHNGQBV-UHFFFAOYSA-N 2 2 384.351 3.164 50 0 GGAALP C[NH+]1CCC2(CC1)CN(C(=O)Cc1ccc(Cl)c(Cl)c1)CCC[N@H+]2C ZINC000067773607 564798885 /nfs/dbraw/zinc/79/88/85/564798885.db2.gz WDFFGJDHHNGQBV-UHFFFAOYSA-N 2 2 384.351 3.164 50 0 GGAALP CC(C)[NH+]1CCC([N@@H+]2CCN(Cc3c(F)cccc3Cl)C[C@H]2CCO)CC1 ZINC000104505922 570259183 /nfs/dbraw/zinc/25/91/83/570259183.db2.gz SAIYTMOPMHWBAE-GOSISDBHSA-N 2 2 397.966 3.221 50 0 GGAALP CC(C)[NH+]1CCC([N@H+]2CCN(Cc3c(F)cccc3Cl)C[C@H]2CCO)CC1 ZINC000104505922 570259186 /nfs/dbraw/zinc/25/91/86/570259186.db2.gz SAIYTMOPMHWBAE-GOSISDBHSA-N 2 2 397.966 3.221 50 0 GGAALP Cc1c[nH]c(CN(C)C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)[nH+]1 ZINC000584903374 570272485 /nfs/dbraw/zinc/27/24/85/570272485.db2.gz DHRXYBOJUKEQAA-UHFFFAOYSA-N 2 2 375.904 3.178 50 0 GGAALP Cc1c(C)n(CC[NH+]2CCOCC2)c2[nH+]c(C)c(Cc3ccccc3)c(N)c12 ZINC000012321634 570313528 /nfs/dbraw/zinc/31/35/28/570313528.db2.gz YBIJVLGAXHBASU-UHFFFAOYSA-N 2 2 378.520 3.467 50 0 GGAALP COc1cccc(C[NH+]2CCC([NH+]3CCN(c4ccccc4OC)CC3)CC2)c1 ZINC000004703449 570395192 /nfs/dbraw/zinc/39/51/92/570395192.db2.gz SZKXSUXAAMGZDD-UHFFFAOYSA-N 2 2 395.547 3.490 50 0 GGAALP COc1ccc(C[NH+]2CCC([NH+]3CCN(c4ccccc4)CC3)CC2)c(OC)c1 ZINC000004712105 570396896 /nfs/dbraw/zinc/39/68/96/570396896.db2.gz OUUWRNWSMROJQV-UHFFFAOYSA-N 2 2 395.547 3.490 50 0 GGAALP Cc1[nH+]ccn1-c1cc(NCCNC(=O)c2cccc3ccccc32)[nH+]c(C)n1 ZINC000035598070 570400768 /nfs/dbraw/zinc/40/07/68/570400768.db2.gz XQBYMIGTTYJNIY-UHFFFAOYSA-N 2 2 386.459 3.274 50 0 GGAALP COc1cc(C[NH2+]CCC[NH+]2CCOCC2)ccc1OCc1ccccc1F ZINC000005019629 570424272 /nfs/dbraw/zinc/42/42/72/570424272.db2.gz FLURCBUXYAFQAU-UHFFFAOYSA-N 2 2 388.483 3.225 50 0 GGAALP Cn1c2ccc(NS(=O)(=O)c3ccccc3)cc2[nH+]c1CC[NH+]1CCCCC1 ZINC000006467795 570442712 /nfs/dbraw/zinc/44/27/12/570442712.db2.gz ALWKXGOVQCHBGZ-UHFFFAOYSA-N 2 2 398.532 3.403 50 0 GGAALP Cn1c2ccc(NS(=O)(=O)c3ccccc3)cc2[nH+]c1CC[NH+]1CCCC1 ZINC000005207288 570506476 /nfs/dbraw/zinc/50/64/76/570506476.db2.gz VHWRNRAZZZBYNQ-UHFFFAOYSA-N 2 2 384.505 3.012 50 0 GGAALP COCC[N@@H+](Cc1cccnc1)C[C@H]1CCC[NH+](C2Cc3ccccc3C2)C1 ZINC000011667791 570579602 /nfs/dbraw/zinc/57/96/02/570579602.db2.gz IFSIYFOYSKGUSJ-OAQYLSRUSA-N 2 2 379.548 3.409 50 0 GGAALP COCC[N@H+](Cc1cccnc1)C[C@H]1CCC[NH+](C2Cc3ccccc3C2)C1 ZINC000011667791 570579604 /nfs/dbraw/zinc/57/96/04/570579604.db2.gz IFSIYFOYSKGUSJ-OAQYLSRUSA-N 2 2 379.548 3.409 50 0 GGAALP COCC[NH+](Cc1cccnc1)C[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000011667791 570579607 /nfs/dbraw/zinc/57/96/07/570579607.db2.gz IFSIYFOYSKGUSJ-OAQYLSRUSA-N 2 2 379.548 3.409 50 0 GGAALP COCC[NH+](Cc1cccnc1)C[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000011667791 570579609 /nfs/dbraw/zinc/57/96/09/570579609.db2.gz IFSIYFOYSKGUSJ-OAQYLSRUSA-N 2 2 379.548 3.409 50 0 GGAALP CCOc1ccccc1C[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)NC3CC3)C2)CC1 ZINC000011761100 570581366 /nfs/dbraw/zinc/58/13/66/570581366.db2.gz GDILQTLVSRQJSW-IBGZPJMESA-N 2 2 385.552 3.040 50 0 GGAALP CCOc1ccccc1C[NH+]1CCC([N@H+]2CCC[C@H](C(=O)NC3CC3)C2)CC1 ZINC000011761100 570581370 /nfs/dbraw/zinc/58/13/70/570581370.db2.gz GDILQTLVSRQJSW-IBGZPJMESA-N 2 2 385.552 3.040 50 0 GGAALP CC[C@H](C)CNC(=O)C1CC[NH+](C2CC[NH+](Cc3cccc(C)n3)CC2)CC1 ZINC000011821244 570586160 /nfs/dbraw/zinc/58/61/60/570586160.db2.gz JYKBEXYKQYFNIW-SFHVURJKSA-N 2 2 386.584 3.229 50 0 GGAALP COc1ccc(/C=C/C[NH2+]C[C@H]2C[C@@H](CO)[N@H+](C)[C@H]2c2ccccc2F)cc1 ZINC000011842419 570587260 /nfs/dbraw/zinc/58/72/60/570587260.db2.gz KDYWRKIDHSYQIM-WMANONNTSA-N 2 2 384.495 3.491 50 0 GGAALP COc1ccc(/C=C/C[NH2+]C[C@H]2C[C@@H](CO)[N@@H+](C)[C@H]2c2ccccc2F)cc1 ZINC000011842419 570587261 /nfs/dbraw/zinc/58/72/61/570587261.db2.gz KDYWRKIDHSYQIM-WMANONNTSA-N 2 2 384.495 3.491 50 0 GGAALP O=C(NC1CC1)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3cc4ccccc4o3)CC2)C1 ZINC000011873331 570589480 /nfs/dbraw/zinc/58/94/80/570589480.db2.gz WIXVHEZGXAAPRM-SFHVURJKSA-N 2 2 381.520 3.388 50 0 GGAALP O=C(NC1CC1)[C@H]1CCC[N@H+](C2CC[NH+](Cc3cc4ccccc4o3)CC2)C1 ZINC000011873331 570589484 /nfs/dbraw/zinc/58/94/84/570589484.db2.gz WIXVHEZGXAAPRM-SFHVURJKSA-N 2 2 381.520 3.388 50 0 GGAALP C[NH+]1CCC([N@@H+]2CCC[C@H](NC(=O)C3(c4ccc(Cl)cc4)CC3)C2)CC1 ZINC000011878581 570590424 /nfs/dbraw/zinc/59/04/24/570590424.db2.gz YJIZJIIIWZEXDQ-SFHVURJKSA-N 2 2 375.944 3.046 50 0 GGAALP C[NH+]1CCC([N@H+]2CCC[C@H](NC(=O)C3(c4ccc(Cl)cc4)CC3)C2)CC1 ZINC000011878581 570590427 /nfs/dbraw/zinc/59/04/27/570590427.db2.gz YJIZJIIIWZEXDQ-SFHVURJKSA-N 2 2 375.944 3.046 50 0 GGAALP COc1cccc(C[N@@H+]2CCC[C@@H](NC(=O)c3ccc(-n4cc[nH+]c4)cc3)C2)c1 ZINC000012306301 570639397 /nfs/dbraw/zinc/63/93/97/570639397.db2.gz HMMYUHJLYSVZCD-HXUWFJFHSA-N 2 2 390.487 3.275 50 0 GGAALP COc1cccc(C[N@H+]2CCC[C@@H](NC(=O)c3ccc(-n4cc[nH+]c4)cc3)C2)c1 ZINC000012306301 570639400 /nfs/dbraw/zinc/63/94/00/570639400.db2.gz HMMYUHJLYSVZCD-HXUWFJFHSA-N 2 2 390.487 3.275 50 0 GGAALP Cc1cccc(C[NH+]2CCC([NH+]3CCC(C(=O)N4CCCC[C@H]4C)CC3)CC2)n1 ZINC000012307410 570639901 /nfs/dbraw/zinc/63/99/01/570639901.db2.gz FDHHWDMYNQUOAA-HXUWFJFHSA-N 2 2 398.595 3.467 50 0 GGAALP O=C(NCc1ccccc1)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000012448434 570667306 /nfs/dbraw/zinc/66/73/06/570667306.db2.gz XQOAWEMROWEISY-JOCHJYFZSA-N 2 2 392.547 3.074 50 0 GGAALP O=C(NCc1ccccc1)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000012448434 570667307 /nfs/dbraw/zinc/66/73/07/570667307.db2.gz XQOAWEMROWEISY-JOCHJYFZSA-N 2 2 392.547 3.074 50 0 GGAALP CC(C)(C)C(=O)N1CC[NH+](Cc2ccccc2OCCCCn2cc[nH+]c2)CC1 ZINC000055308767 570690820 /nfs/dbraw/zinc/69/08/20/570690820.db2.gz ZUDHZIVUVWGDKY-UHFFFAOYSA-N 2 2 398.551 3.433 50 0 GGAALP Cc1[nH+]ccn1-c1cc(NCCNC(=O)Nc2cccc(C)c2C)[nH+]c(C)n1 ZINC000067602146 570782704 /nfs/dbraw/zinc/78/27/04/570782704.db2.gz LYSGHTZFVWGSPZ-UHFFFAOYSA-N 2 2 379.468 3.130 50 0 GGAALP CC[NH+](CC)Cc1cnc2c(C(=O)Nc3ccc(-n4cc[nH+]c4)cc3)cnn2c1 ZINC000067642019 570784253 /nfs/dbraw/zinc/78/42/53/570784253.db2.gz YFJQFSMKYVYGCN-UHFFFAOYSA-N 2 2 389.463 3.009 50 0 GGAALP O=C(NCc1ccccc1)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000067821323 570792942 /nfs/dbraw/zinc/79/29/42/570792942.db2.gz NJKHQNHSURJVLX-QFIPXVFZSA-N 2 2 392.547 3.074 50 0 GGAALP O=C(NCc1ccccc1)[C@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000067821323 570792949 /nfs/dbraw/zinc/79/29/49/570792949.db2.gz NJKHQNHSURJVLX-QFIPXVFZSA-N 2 2 392.547 3.074 50 0 GGAALP CC(C)CC1(NC(=O)[C@H]2CCC[N@@H+](C3CC[NH+](Cc4ccncc4)CC3)C2)CC1 ZINC000071754364 570847969 /nfs/dbraw/zinc/84/79/69/570847969.db2.gz YQKSUZHWIUZSTB-NRFANRHFSA-N 2 2 398.595 3.453 50 0 GGAALP CC(C)CC1(NC(=O)[C@H]2CCC[N@H+](C3CC[NH+](Cc4ccncc4)CC3)C2)CC1 ZINC000071754364 570847974 /nfs/dbraw/zinc/84/79/74/570847974.db2.gz YQKSUZHWIUZSTB-NRFANRHFSA-N 2 2 398.595 3.453 50 0 GGAALP CC(C)(C)CCNC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000071757184 570848353 /nfs/dbraw/zinc/84/83/53/570848353.db2.gz WBVNEHLYWATWTO-HXUWFJFHSA-N 2 2 386.584 3.310 50 0 GGAALP CC(C)(C)CCNC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000071757184 570848358 /nfs/dbraw/zinc/84/83/58/570848358.db2.gz WBVNEHLYWATWTO-HXUWFJFHSA-N 2 2 386.584 3.310 50 0 GGAALP CN(CC(C)(C)C)C(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000071763451 570851103 /nfs/dbraw/zinc/85/11/03/570851103.db2.gz DAQAPYANHINMQW-FQEVSTJZSA-N 2 2 386.584 3.263 50 0 GGAALP CN(CC(C)(C)C)C(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000071763451 570851106 /nfs/dbraw/zinc/85/11/06/570851106.db2.gz DAQAPYANHINMQW-FQEVSTJZSA-N 2 2 386.584 3.263 50 0 GGAALP O=C(NCc1ccsc1)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000071764618 570851475 /nfs/dbraw/zinc/85/14/75/570851475.db2.gz FWPBBWBKWMSJKU-HXUWFJFHSA-N 2 2 398.576 3.136 50 0 GGAALP O=C(NCc1ccsc1)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000071764618 570851477 /nfs/dbraw/zinc/85/14/77/570851477.db2.gz FWPBBWBKWMSJKU-HXUWFJFHSA-N 2 2 398.576 3.136 50 0 GGAALP O=C(NC1CC1)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccc4occc4c3)CC2)C1 ZINC000071775758 570853166 /nfs/dbraw/zinc/85/31/66/570853166.db2.gz JNYJSAJBGFRVFN-IBGZPJMESA-N 2 2 381.520 3.388 50 0 GGAALP O=C(NC1CC1)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccc4occc4c3)CC2)C1 ZINC000071775758 570853171 /nfs/dbraw/zinc/85/31/71/570853171.db2.gz JNYJSAJBGFRVFN-IBGZPJMESA-N 2 2 381.520 3.388 50 0 GGAALP Cc1[nH+]cn(-c2cc(NCCNC(=O)Nc3cccc(F)c3C)[nH+]c(C)n2)c1C ZINC000072115717 570866194 /nfs/dbraw/zinc/86/61/94/570866194.db2.gz XBVLQYWLYMIGFL-UHFFFAOYSA-N 2 2 397.458 3.269 50 0 GGAALP Cc1[nH+]cn(-c2cc(NCCNC(=O)Nc3cccc(C)c3C)[nH+]cn2)c1C ZINC000072117468 570866459 /nfs/dbraw/zinc/86/64/59/570866459.db2.gz LEPIEQQRJJSZEU-UHFFFAOYSA-N 2 2 379.468 3.130 50 0 GGAALP Cc1[nH+]cn(-c2cc(NCCNC(=O)Nc3cccc(C)c3)[nH+]c(C)n2)c1C ZINC000072117837 570866491 /nfs/dbraw/zinc/86/64/91/570866491.db2.gz SKJUVIRYEZRNGZ-UHFFFAOYSA-N 2 2 379.468 3.130 50 0 GGAALP O=C(c1ccccc1[C@@H]1CC[NH2+]C1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000072146628 570871992 /nfs/dbraw/zinc/87/19/92/570871992.db2.gz ZKLUYMFHZULSMI-VHTFYLNKSA-N 2 2 375.516 3.235 50 0 GGAALP Cc1[nH+]ccn1-c1ccc(Cn2cc[nH+]c2-c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000072156853 570874387 /nfs/dbraw/zinc/87/43/87/570874387.db2.gz PRVSLDMSQAZIOB-UHFFFAOYSA-N 2 2 392.484 3.496 50 0 GGAALP CNc1ccc(-c2cccc(C(=O)NCC[N@@H+]3CCc4ccccc4C3)c2)c[nH+]1 ZINC000534657509 570916450 /nfs/dbraw/zinc/91/64/50/570916450.db2.gz JVJJMOZPRPEZDP-UHFFFAOYSA-N 2 2 386.499 3.000 50 0 GGAALP CNc1ccc(-c2cccc(C(=O)NCC[N@H+]3CCc4ccccc4C3)c2)c[nH+]1 ZINC000534657509 570916453 /nfs/dbraw/zinc/91/64/53/570916453.db2.gz JVJJMOZPRPEZDP-UHFFFAOYSA-N 2 2 386.499 3.000 50 0 GGAALP CN(Cc1[nH]cc[nH+]1)C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+]1CCCCC1 ZINC000534649160 570917316 /nfs/dbraw/zinc/91/73/16/570917316.db2.gz SBBOZYGVDFWBNI-QGZVFWFLSA-N 2 2 375.904 3.432 50 0 GGAALP CCn1cc(C[N@@H+]2CCC[C@H]2C(=O)Nc2ccc(-n3cc[nH+]c3C)cc2)c(C)n1 ZINC000011817022 570980105 /nfs/dbraw/zinc/98/01/05/570980105.db2.gz GEBIAQIZUTULGH-NRFANRHFSA-N 2 2 392.507 3.309 50 0 GGAALP CCn1cc(C[N@H+]2CCC[C@H]2C(=O)Nc2ccc(-n3cc[nH+]c3C)cc2)c(C)n1 ZINC000011817022 570980108 /nfs/dbraw/zinc/98/01/08/570980108.db2.gz GEBIAQIZUTULGH-NRFANRHFSA-N 2 2 392.507 3.309 50 0 GGAALP C[NH+](C)CCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2ccc(F)c(F)c2)C1 ZINC000095516388 571083821 /nfs/dbraw/zinc/08/38/21/571083821.db2.gz ASGQQZLINLQGFY-MRXNPFEDSA-N 2 2 376.451 3.133 50 0 GGAALP Cc1[nH]c2ccc(CC(=O)N3C[C@@H](c4ccc(C)cc4)[C@H]([NH+](C)C)C3)cc2[nH+]1 ZINC000095523280 571088756 /nfs/dbraw/zinc/08/87/56/571088756.db2.gz OIKVNDABBSMWGR-SIKLNZKXSA-N 2 2 376.504 3.278 50 0 GGAALP Cc1[nH]c2cc(CC(=O)N3C[C@@H](c4ccc(C)cc4)[C@H]([NH+](C)C)C3)ccc2[nH+]1 ZINC000095523280 571088760 /nfs/dbraw/zinc/08/87/60/571088760.db2.gz OIKVNDABBSMWGR-SIKLNZKXSA-N 2 2 376.504 3.278 50 0 GGAALP COc1cccc(C[N@@H+]2CCC[C@]3(CCN(Cc4c[nH+]c(C)n4C)C3)C2)c1OC ZINC000011820228 1399014531 /nfs/dbraw/zinc/01/45/31/1399014531.db2.gz MCJUZYTZXJLJEM-QHCPKHFHSA-N 2 2 398.551 3.234 50 0 GGAALP COc1cccc(C[N@H+]2CCC[C@]3(CCN(Cc4c[nH+]c(C)n4C)C3)C2)c1OC ZINC000011820228 1399014539 /nfs/dbraw/zinc/01/45/39/1399014539.db2.gz MCJUZYTZXJLJEM-QHCPKHFHSA-N 2 2 398.551 3.234 50 0 GGAALP C[NH+]1CCC([N@@H+]2CCC[C@@H](NC(=O)C3(c4ccc(Cl)cc4)CCC3)C2)CC1 ZINC000012429558 1399041876 /nfs/dbraw/zinc/04/18/76/1399041876.db2.gz SWYUDNZJMUIXOT-LJQANCHMSA-N 2 2 389.971 3.437 50 0 GGAALP C[NH+]1CCC([N@H+]2CCC[C@@H](NC(=O)C3(c4ccc(Cl)cc4)CCC3)C2)CC1 ZINC000012429558 1399041878 /nfs/dbraw/zinc/04/18/78/1399041878.db2.gz SWYUDNZJMUIXOT-LJQANCHMSA-N 2 2 389.971 3.437 50 0 GGAALP C[NH+]1CCC([N@@H+]2CCC[C@H](NC(=O)C3(c4ccc(Cl)cc4)CCC3)C2)CC1 ZINC000012429559 1399042260 /nfs/dbraw/zinc/04/22/60/1399042260.db2.gz SWYUDNZJMUIXOT-IBGZPJMESA-N 2 2 389.971 3.437 50 0 GGAALP C[NH+]1CCC([N@H+]2CCC[C@H](NC(=O)C3(c4ccc(Cl)cc4)CCC3)C2)CC1 ZINC000012429559 1399042264 /nfs/dbraw/zinc/04/22/64/1399042264.db2.gz SWYUDNZJMUIXOT-IBGZPJMESA-N 2 2 389.971 3.437 50 0 GGAALP COCC[N@@H+]1CCC[C@]2(CC[NH+](Cc3cnc(-c4cccc(C)c4)nc3)C2)C1 ZINC000012456958 1399044089 /nfs/dbraw/zinc/04/40/89/1399044089.db2.gz OOQXVKFIIQKPFU-QHCPKHFHSA-N 2 2 380.536 3.386 50 0 GGAALP COCC[N@H+]1CCC[C@]2(CC[NH+](Cc3cnc(-c4cccc(C)c4)nc3)C2)C1 ZINC000012456958 1399044094 /nfs/dbraw/zinc/04/40/94/1399044094.db2.gz OOQXVKFIIQKPFU-QHCPKHFHSA-N 2 2 380.536 3.386 50 0 GGAALP COCC[NH+]1CCC[C@]2(CC[N@H+](Cc3cnc(-c4cccc(C)c4)nc3)C2)C1 ZINC000012456958 1399044097 /nfs/dbraw/zinc/04/40/97/1399044097.db2.gz OOQXVKFIIQKPFU-QHCPKHFHSA-N 2 2 380.536 3.386 50 0 GGAALP COCC[NH+]1CCC[C@]2(CC[N@@H+](Cc3cnc(-c4cccc(C)c4)nc3)C2)C1 ZINC000012456958 1399044100 /nfs/dbraw/zinc/04/41/00/1399044100.db2.gz OOQXVKFIIQKPFU-QHCPKHFHSA-N 2 2 380.536 3.386 50 0 GGAALP CC(C)c1csc(C[N@@H+]2CCC[C@H](CCC(=O)N3CC[NH+](C)CC3)C2)n1 ZINC000012584747 1399049147 /nfs/dbraw/zinc/04/91/47/1399049147.db2.gz HAFTXSMHZBIYIR-QGZVFWFLSA-N 2 2 378.586 3.033 50 0 GGAALP CC(C)c1csc(C[N@H+]2CCC[C@H](CCC(=O)N3CC[NH+](C)CC3)C2)n1 ZINC000012584747 1399049151 /nfs/dbraw/zinc/04/91/51/1399049151.db2.gz HAFTXSMHZBIYIR-QGZVFWFLSA-N 2 2 378.586 3.033 50 0 GGAALP C[NH+]1CCC([N@@H+]2CCC[C@@H](NC(=O)c3ccc4cccc(Cl)c4n3)C2)CC1 ZINC000020207469 1399343580 /nfs/dbraw/zinc/34/35/80/1399343580.db2.gz STTYNTMUXOKOMU-MRXNPFEDSA-N 2 2 386.927 3.177 50 0 GGAALP C[NH+]1CCC([N@H+]2CCC[C@@H](NC(=O)c3ccc4cccc(Cl)c4n3)C2)CC1 ZINC000020207469 1399343586 /nfs/dbraw/zinc/34/35/86/1399343586.db2.gz STTYNTMUXOKOMU-MRXNPFEDSA-N 2 2 386.927 3.177 50 0 GGAALP CC1(C)C[C@@H](C[NH2+]Cc2cccnc2N2CCN(c3cccc[nH+]3)CC2)CCO1 ZINC000020598456 1399349309 /nfs/dbraw/zinc/34/93/09/1399349309.db2.gz XLBUBIHOIKZQLQ-IBGZPJMESA-N 2 2 395.551 3.098 50 0 GGAALP O=C(c1ccc(C[C@H]2CCC[NH2+]C2)cc1)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000072162391 1409849353 /nfs/dbraw/zinc/84/93/53/1409849353.db2.gz ADLIHBXQTKFYNB-LJQANCHMSA-N 2 2 378.520 3.340 50 0 GGAALP C[C@H]1CCC(=O)N1c1ccc(N2CCC([N@@H+]3CC[C@@H](n4cc[nH+]c4)C3)CC2)cc1 ZINC000019300501 210239230 /nfs/dbraw/zinc/23/92/30/210239230.db2.gz KWCSLOJBJUSRCR-PGRDOPGGSA-N 2 2 393.535 3.314 50 0 GGAALP C[C@H]1CCC(=O)N1c1ccc(N2CCC([N@H+]3CC[C@@H](n4cc[nH+]c4)C3)CC2)cc1 ZINC000019300501 210239232 /nfs/dbraw/zinc/23/92/32/210239232.db2.gz KWCSLOJBJUSRCR-PGRDOPGGSA-N 2 2 393.535 3.314 50 0 GGAALP CCc1ccc(C[N@@H+]2CCc3c(C(=O)NCC[C@H]4CCC[NH2+]4)csc3C2)nc1 ZINC000426602590 529644543 /nfs/dbraw/zinc/64/45/43/529644543.db2.gz ZRTAEHJNVWFPEA-QGZVFWFLSA-N 2 2 398.576 3.136 50 0 GGAALP CCc1ccc(C[N@H+]2CCc3c(C(=O)NCC[C@H]4CCC[NH2+]4)csc3C2)nc1 ZINC000426602590 529644546 /nfs/dbraw/zinc/64/45/46/529644546.db2.gz ZRTAEHJNVWFPEA-QGZVFWFLSA-N 2 2 398.576 3.136 50 0 GGAALP CCc1ccc(C[N@@H+]2CCc3c(C(=O)N[C@@H]4CCC[NH+](C)C4)csc3C2)nc1 ZINC000426477242 529644801 /nfs/dbraw/zinc/64/48/01/529644801.db2.gz QAZSTKUGYBPIBJ-GOSISDBHSA-N 2 2 398.576 3.088 50 0 GGAALP CCc1ccc(C[N@H+]2CCc3c(C(=O)N[C@@H]4CCC[NH+](C)C4)csc3C2)nc1 ZINC000426477242 529644803 /nfs/dbraw/zinc/64/48/03/529644803.db2.gz QAZSTKUGYBPIBJ-GOSISDBHSA-N 2 2 398.576 3.088 50 0 GGAALP CCc1ccc(C[NH+]2CCc3c(C(=O)N[C@@H]4CCC[N@H+](C)C4)csc3C2)nc1 ZINC000426477242 529644805 /nfs/dbraw/zinc/64/48/05/529644805.db2.gz QAZSTKUGYBPIBJ-GOSISDBHSA-N 2 2 398.576 3.088 50 0 GGAALP CCc1ccc(C[NH+]2CCc3c(C(=O)N[C@@H]4CCC[N@@H+](C)C4)csc3C2)nc1 ZINC000426477242 529644807 /nfs/dbraw/zinc/64/48/07/529644807.db2.gz QAZSTKUGYBPIBJ-GOSISDBHSA-N 2 2 398.576 3.088 50 0 GGAALP C[C@@H](CNC(=O)c1ccco1)Oc1cccc(C[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000014994579 210141384 /nfs/dbraw/zinc/14/13/84/210141384.db2.gz GQBIPCKZJKVBMV-KRWDZBQOSA-N 2 2 385.508 3.003 50 0 GGAALP C[C@@H](CNC(=O)c1ccco1)Oc1cccc(C[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000014994579 210141385 /nfs/dbraw/zinc/14/13/85/210141385.db2.gz GQBIPCKZJKVBMV-KRWDZBQOSA-N 2 2 385.508 3.003 50 0 GGAALP C[NH+](C)C[C@](C)(O)c1ccc2c(c1)C[N@@H+](Cc1ccc(F)cc1F)CCO2 ZINC000014992798 210140303 /nfs/dbraw/zinc/14/03/03/210140303.db2.gz CXABZHZSDLCGCZ-NRFANRHFSA-N 2 2 376.447 3.129 50 0 GGAALP C[NH+](C)C[C@](C)(O)c1ccc2c(c1)C[N@H+](Cc1ccc(F)cc1F)CCO2 ZINC000014992798 210140307 /nfs/dbraw/zinc/14/03/07/210140307.db2.gz CXABZHZSDLCGCZ-NRFANRHFSA-N 2 2 376.447 3.129 50 0 GGAALP COc1ccc(/C=C/C[NH+]2CCC([NH+]3CCC(C(=O)NC4CC4)CC3)CC2)cc1 ZINC000012710147 209994962 /nfs/dbraw/zinc/99/49/62/209994962.db2.gz OTYCIWRYBLJHOE-NSCUHMNNSA-N 2 2 397.563 3.163 50 0 GGAALP CCCCN(C)C(=O)C1CC[NH+](C2CC[NH+](Cc3cccc(C)n3)CC2)CC1 ZINC000012199203 209919458 /nfs/dbraw/zinc/91/94/58/209919458.db2.gz XGAHRWAKALMVMG-UHFFFAOYSA-N 2 2 386.584 3.325 50 0 GGAALP CC[NH+](CC)CCn1c2ccccc2n(C[C@@H](O)COc2cccc(C)c2)c1=[NH2+] ZINC000001242629 209317933 /nfs/dbraw/zinc/31/79/33/209317933.db2.gz IJGSXXQMYBXCHB-LJQANCHMSA-N 2 2 396.535 3.012 50 0 GGAALP CCOc1ccccc1CNc1[nH+]c2ccccc2n1CC[NH+]1CCOCC1 ZINC000000809676 209267925 /nfs/dbraw/zinc/26/79/25/209267925.db2.gz DEYUNZCWKQXVLK-UHFFFAOYSA-N 2 2 380.492 3.379 50 0 GGAALP CCc1nccc(C[NH+]2CCC3(CC2)c2[nH]c[nH+]c2CCN3CC=C(C)C)n1 ZINC000097346822 211363187 /nfs/dbraw/zinc/36/31/87/211363187.db2.gz PUCQNJOEUCQWRP-UHFFFAOYSA-N 2 2 380.540 3.078 50 0 GGAALP O=C(NC[C@H](c1cccnc1)[NH+]1CCCCC1)c1ccccc1-c1[nH]cc[nH+]1 ZINC000097307492 211362629 /nfs/dbraw/zinc/36/26/29/211362629.db2.gz DVZBABPNCAZQRP-HXUWFJFHSA-N 2 2 375.476 3.429 50 0 GGAALP CCc1[nH]c2ccc(NC(=O)N[C@H]3CCC[N@H+](Cc4cccnc4)C3)cc2[nH+]1 ZINC000097288898 211362368 /nfs/dbraw/zinc/36/23/68/211362368.db2.gz BAMSECGSHNVLQT-KRWDZBQOSA-N 2 2 378.480 3.306 50 0 GGAALP CCc1[nH]c2ccc(NC(=O)N[C@H]3CCC[N@@H+](Cc4cccnc4)C3)cc2[nH+]1 ZINC000097288898 211362372 /nfs/dbraw/zinc/36/23/72/211362372.db2.gz BAMSECGSHNVLQT-KRWDZBQOSA-N 2 2 378.480 3.306 50 0 GGAALP Cc1cccn2c(CC(=O)NCC[N@@H+]3CCC[C@H](c4ccccc4)C3)c[nH+]c12 ZINC000097288772 211361983 /nfs/dbraw/zinc/36/19/83/211361983.db2.gz YVIMFLKOHWMNOJ-FQEVSTJZSA-N 2 2 376.504 3.181 50 0 GGAALP Cc1cccn2c(CC(=O)NCC[N@H+]3CCC[C@H](c4ccccc4)C3)c[nH+]c12 ZINC000097288772 211361987 /nfs/dbraw/zinc/36/19/87/211361987.db2.gz YVIMFLKOHWMNOJ-FQEVSTJZSA-N 2 2 376.504 3.181 50 0 GGAALP Fc1cccc(C[NH+]2CCC(c3nnc(Cn4cc[nH+]c4)n3C3CC3)CC2)c1 ZINC000096131897 211304716 /nfs/dbraw/zinc/30/47/16/211304716.db2.gz KRFQDUYPFIBOSY-UHFFFAOYSA-N 2 2 380.471 3.377 50 0 GGAALP CCn1c(Cn2cc[nH+]c2)nnc1C1CC[NH+](Cc2ccc(F)cc2F)CC1 ZINC000096136425 211306999 /nfs/dbraw/zinc/30/69/99/211306999.db2.gz CHEDEUJKBZYULL-UHFFFAOYSA-N 2 2 386.450 3.201 50 0 GGAALP O=C1CC2(CN1Cc1ccc(Cl)cc1)CC[NH+](CCCn1cc[nH+]c1)CC2 ZINC000095526353 211272684 /nfs/dbraw/zinc/27/26/84/211272684.db2.gz SCYXJPQKFLVHJZ-UHFFFAOYSA-N 2 2 386.927 3.441 50 0 GGAALP C[NH+](C)CCCn1cc[nH+]c1[C@H]1CCCN(C(=O)c2ccc3cc[nH]c3c2)C1 ZINC000095521961 211268367 /nfs/dbraw/zinc/26/83/67/211268367.db2.gz PBZVDKBZWLASJK-IBGZPJMESA-N 2 2 379.508 3.336 50 0 GGAALP C[NH+](C[C@@H](O)COc1ccccc1C[N@H+](C)Cc1cnccn1)C1CCCCC1 ZINC000095521120 211266095 /nfs/dbraw/zinc/26/60/95/211266095.db2.gz UEDWZEBFSGJXLH-JOCHJYFZSA-N 2 2 398.551 3.113 50 0 GGAALP C[NH+](C[C@@H](O)COc1ccccc1C[N@@H+](C)Cc1cnccn1)C1CCCCC1 ZINC000095521120 211266101 /nfs/dbraw/zinc/26/61/01/211266101.db2.gz UEDWZEBFSGJXLH-JOCHJYFZSA-N 2 2 398.551 3.113 50 0 GGAALP C[NH+](Cc1cnccn1)Cc1ccccc1OC[C@H](O)C[N@H+](C)C1CCCCC1 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ZINC000082092806 211160040 /nfs/dbraw/zinc/16/00/40/211160040.db2.gz KHPGMHBVZFAQEU-JOCHJYFZSA-N 2 2 398.595 3.455 50 0 GGAALP COc1ccc(C[NH+]2CCC(c3nnc(C[NH+](C)C)n3C3CC3)CC2)cc1C ZINC000082091635 211159426 /nfs/dbraw/zinc/15/94/26/211159426.db2.gz FYTBKTFPLSANSM-UHFFFAOYSA-N 2 2 383.540 3.371 50 0 GGAALP Cc1[nH+]cn(-c2cc(NCCNC(=O)c3ccc4ccccc4c3)[nH+]cn2)c1C ZINC000082230692 211164228 /nfs/dbraw/zinc/16/42/28/211164228.db2.gz BUPBHLSWBYSPBI-UHFFFAOYSA-N 2 2 386.459 3.274 50 0 GGAALP CC(C)CC1(NC(=O)[C@H]2CCC[N@@H+](C3CC[NH+](Cc4cccnc4)CC3)C2)CC1 ZINC000082107819 211162767 /nfs/dbraw/zinc/16/27/67/211162767.db2.gz QBQIAJBTTWYKKL-NRFANRHFSA-N 2 2 398.595 3.453 50 0 GGAALP CC(C)CC1(NC(=O)[C@H]2CCC[N@H+](C3CC[NH+](Cc4cccnc4)CC3)C2)CC1 ZINC000082107819 211162772 /nfs/dbraw/zinc/16/27/72/211162772.db2.gz QBQIAJBTTWYKKL-NRFANRHFSA-N 2 2 398.595 3.453 50 0 GGAALP Cc1[nH+]cn(-c2cc(NCCNC(=O)Nc3cccc(C)c3C)[nH+]c(C)n2)c1C ZINC000072437572 211120221 /nfs/dbraw/zinc/12/02/21/211120221.db2.gz 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O=C(NC1CC1)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccc4occc4c3)CC2)C1 ZINC000071775759 211063479 /nfs/dbraw/zinc/06/34/79/211063479.db2.gz JNYJSAJBGFRVFN-LJQANCHMSA-N 2 2 381.520 3.388 50 0 GGAALP O=C(NC1CC1)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccc4occc4c3)CC2)C1 ZINC000071775759 211063485 /nfs/dbraw/zinc/06/34/85/211063485.db2.gz JNYJSAJBGFRVFN-LJQANCHMSA-N 2 2 381.520 3.388 50 0 GGAALP CCC1(CNC(=O)[C@H]2CCC[N@@H+](C3CC[NH+](Cc4cccnc4)CC3)C2)CCC1 ZINC000071762579 211061087 /nfs/dbraw/zinc/06/10/87/211061087.db2.gz ZASAIIGFFPUSEB-NRFANRHFSA-N 2 2 398.595 3.455 50 0 GGAALP CCC1(CNC(=O)[C@H]2CCC[N@H+](C3CC[NH+](Cc4cccnc4)CC3)C2)CCC1 ZINC000071762579 211061095 /nfs/dbraw/zinc/06/10/95/211061095.db2.gz ZASAIIGFFPUSEB-NRFANRHFSA-N 2 2 398.595 3.455 50 0 GGAALP O=C([C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccncc3)CC2)C1)N1CCCCCC1 ZINC000071754339 211059027 /nfs/dbraw/zinc/05/90/27/211059027.db2.gz UYQJANOHAUPDAL-NRFANRHFSA-N 2 2 384.568 3.161 50 0 GGAALP O=C([C@H]1CCC[N@H+](C2CC[NH+](Cc3ccncc3)CC2)C1)N1CCCCCC1 ZINC000071754339 211059028 /nfs/dbraw/zinc/05/90/28/211059028.db2.gz UYQJANOHAUPDAL-NRFANRHFSA-N 2 2 384.568 3.161 50 0 GGAALP CC(C)CCN(C)C(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000071746647 211053684 /nfs/dbraw/zinc/05/36/84/211053684.db2.gz IPGAFOLOWFWJLK-OAQYLSRUSA-N 2 2 386.584 3.263 50 0 GGAALP CC(C)CCN(C)C(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000071746647 211053687 /nfs/dbraw/zinc/05/36/87/211053687.db2.gz IPGAFOLOWFWJLK-OAQYLSRUSA-N 2 2 386.584 3.263 50 0 GGAALP O=C(NCc1cccs1)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000071730372 211052449 /nfs/dbraw/zinc/05/24/49/211052449.db2.gz LAVXRUFMDNWASU-IBGZPJMESA-N 2 2 398.576 3.136 50 0 GGAALP O=C(NCc1cccs1)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000071730372 211052454 /nfs/dbraw/zinc/05/24/54/211052454.db2.gz LAVXRUFMDNWASU-IBGZPJMESA-N 2 2 398.576 3.136 50 0 GGAALP O=C(NC(C1CC1)C1CC1)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000071524344 211049593 /nfs/dbraw/zinc/04/95/93/211049593.db2.gz YKPHELCHQMBIKA-OAQYLSRUSA-N 2 2 396.579 3.063 50 0 GGAALP O=C(NC(C1CC1)C1CC1)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000071524344 211049596 /nfs/dbraw/zinc/04/95/96/211049596.db2.gz YKPHELCHQMBIKA-OAQYLSRUSA-N 2 2 396.579 3.063 50 0 GGAALP CC(C)C1(NC(=O)[C@@H]2CCC[N@@H+](C3CC[NH+](Cc4ccncc4)CC3)C2)CC1 ZINC000071498570 211049641 /nfs/dbraw/zinc/04/96/41/211049641.db2.gz XBRNTHMSTIITEV-HXUWFJFHSA-N 2 2 384.568 3.063 50 0 GGAALP CC(C)C1(NC(=O)[C@@H]2CCC[N@H+](C3CC[NH+](Cc4ccncc4)CC3)C2)CC1 ZINC000071498570 211049643 /nfs/dbraw/zinc/04/96/43/211049643.db2.gz XBRNTHMSTIITEV-HXUWFJFHSA-N 2 2 384.568 3.063 50 0 GGAALP CCOc1ccc(CN2CC[N@H+](C)C3(CC[NH+](C)CC3)C2)c(OCC)c1C ZINC000067975261 211030807 /nfs/dbraw/zinc/03/08/07/211030807.db2.gz OJUHWDSAQAFYBN-UHFFFAOYSA-N 2 2 375.557 3.004 50 0 GGAALP CCOc1ccc(CN2CC[N@@H+](C)C3(CC[NH+](C)CC3)C2)c(OCC)c1C ZINC000067975261 211030812 /nfs/dbraw/zinc/03/08/12/211030812.db2.gz OJUHWDSAQAFYBN-UHFFFAOYSA-N 2 2 375.557 3.004 50 0 GGAALP C[NH+]1CCC([N@@H+]2CCC[C@H](NC(=O)C(c3ccccc3)c3ccccc3)C2)CC1 ZINC000067676849 211015390 /nfs/dbraw/zinc/01/53/90/211015390.db2.gz RZYHWEVKBBPNSH-QFIPXVFZSA-N 2 2 391.559 3.493 50 0 GGAALP C[NH+]1CCC([N@H+]2CCC[C@H](NC(=O)C(c3ccccc3)c3ccccc3)C2)CC1 ZINC000067676849 211015393 /nfs/dbraw/zinc/01/53/93/211015393.db2.gz RZYHWEVKBBPNSH-QFIPXVFZSA-N 2 2 391.559 3.493 50 0 GGAALP CCCCn1cnc2sc3c(c2c1=O)CC[C@H]([NH2+]CC[NH+](CC)CC)C3 ZINC000020911140 210369598 /nfs/dbraw/zinc/36/95/98/210369598.db2.gz SNUVCRFRJLONES-HNNXBMFYSA-N 2 2 376.570 3.047 50 0 GGAALP O=C(CC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000020538900 210346710 /nfs/dbraw/zinc/34/67/10/210346710.db2.gz VWTRYPIDEXTHEY-QFIPXVFZSA-N 2 2 392.547 3.423 50 0 GGAALP O=C(CC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000020538900 210346714 /nfs/dbraw/zinc/34/67/14/210346714.db2.gz VWTRYPIDEXTHEY-QFIPXVFZSA-N 2 2 392.547 3.423 50 0 GGAALP CC[N@@H+]1[C@@H](c2ccc(Cl)cc2)[C@@H](C[NH2+]Cc2ccc(CO)o2)C[C@@]1(C)CO ZINC000020500647 210343434 /nfs/dbraw/zinc/34/34/34/210343434.db2.gz HTFJZRGUKAMCOD-CZAAIQMYSA-N 2 2 392.927 3.349 50 0 GGAALP CC[N@H+]1[C@@H](c2ccc(Cl)cc2)[C@@H](C[NH2+]Cc2ccc(CO)o2)C[C@@]1(C)CO ZINC000020500647 210343439 /nfs/dbraw/zinc/34/34/39/210343439.db2.gz HTFJZRGUKAMCOD-CZAAIQMYSA-N 2 2 392.927 3.349 50 0 GGAALP Cc1c(C)n(Cc2ccccc2)c2nc[nH+]c(NCCC[NH+]3CCOCC3)c12 ZINC000020547480 210344997 /nfs/dbraw/zinc/34/49/97/210344997.db2.gz IXFLZLRSXYEJOI-UHFFFAOYSA-N 2 2 379.508 3.231 50 0 GGAALP COc1ccccc1/C=C/C[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)NC3CC3)C2)CC1 ZINC000020455260 210335023 /nfs/dbraw/zinc/33/50/23/210335023.db2.gz XKEAQMDRQXDRJN-WWPOYFSUSA-N 2 2 397.563 3.163 50 0 GGAALP COc1ccccc1/C=C/C[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)NC3CC3)C2)CC1 ZINC000020455260 210335030 /nfs/dbraw/zinc/33/50/30/210335030.db2.gz XKEAQMDRQXDRJN-WWPOYFSUSA-N 2 2 397.563 3.163 50 0 GGAALP CC[NH+]1CCN(C2CC[NH+](Cc3cc(Br)ccc3OC)CC2)CC1 ZINC000019921046 210306562 /nfs/dbraw/zinc/30/65/62/210306562.db2.gz TZSCQMKKAPJHJY-UHFFFAOYSA-N 2 2 396.373 3.060 50 0 GGAALP Cc1cccc(-c2ncc(CN3CCC[C@@H]([N@@H+](C)CCC[NH+](C)C)C3)cn2)c1 ZINC000019633743 210277438 /nfs/dbraw/zinc/27/74/38/210277438.db2.gz GCRDYFDJQTWLKJ-JOCHJYFZSA-N 2 2 381.568 3.300 50 0 GGAALP Cc1cccc(-c2ncc(CN3CCC[C@@H]([N@H+](C)CCC[NH+](C)C)C3)cn2)c1 ZINC000019633743 210277444 /nfs/dbraw/zinc/27/74/44/210277444.db2.gz GCRDYFDJQTWLKJ-JOCHJYFZSA-N 2 2 381.568 3.300 50 0 GGAALP CCOc1cccc(C[NH+]2CCC([N@@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)c1 ZINC000011933104 221137736 /nfs/dbraw/zinc/13/77/36/221137736.db2.gz DZZPTTFYCYNJGQ-LJQANCHMSA-N 2 2 385.552 3.040 50 0 GGAALP CCOc1cccc(C[NH+]2CCC([N@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)c1 ZINC000011933104 221137739 /nfs/dbraw/zinc/13/77/39/221137739.db2.gz DZZPTTFYCYNJGQ-LJQANCHMSA-N 2 2 385.552 3.040 50 0 GGAALP C[C@H]1CCC(=O)N1c1ccc(N2CCC([N@@H+]3CC[C@H](n4cc[nH+]c4)C3)CC2)cc1 ZINC000039454733 132391504 /nfs/dbraw/zinc/39/15/04/132391504.db2.gz KWCSLOJBJUSRCR-AVRDEDQJSA-N 2 2 393.535 3.314 50 0 GGAALP C[C@H]1CCC(=O)N1c1ccc(N2CCC([N@H+]3CC[C@H](n4cc[nH+]c4)C3)CC2)cc1 ZINC000039454733 132391506 /nfs/dbraw/zinc/39/15/06/132391506.db2.gz KWCSLOJBJUSRCR-AVRDEDQJSA-N 2 2 393.535 3.314 50 0 GGAALP COc1cc(C[N@@H+]2CCCC23CCN(c2cccc[nH+]2)CC3)cc2c1OCO2 ZINC000072454238 136171027 /nfs/dbraw/zinc/17/10/27/136171027.db2.gz QYZDYNQFNXNYAA-UHFFFAOYSA-N 2 2 381.476 3.454 50 0 GGAALP COc1cc(C[N@H+]2CCCC23CCN(c2cccc[nH+]2)CC3)cc2c1OCO2 ZINC000072454238 136171028 /nfs/dbraw/zinc/17/10/28/136171028.db2.gz QYZDYNQFNXNYAA-UHFFFAOYSA-N 2 2 381.476 3.454 50 0 GGAALP Cc1cc(N2CCC([NH2+]Cc3noc(-c4ccco4)n3)CC2)nc(C(C)C)[nH+]1 ZINC000095501436 136179995 /nfs/dbraw/zinc/17/99/95/136179995.db2.gz GQZOIMYHBGIQCI-UHFFFAOYSA-N 2 2 382.468 3.310 50 0 GGAALP c1cn(Cc2cccnc2)c([C@H]2CCCN(c3cc(N4CCCC4)cn[nH+]3)C2)[nH+]1 ZINC000095504247 136180182 /nfs/dbraw/zinc/18/01/82/136180182.db2.gz ZBLIWSANNIBFFJ-IBGZPJMESA-N 2 2 389.507 3.101 50 0 GGAALP Cc1cc(N2CCC([N@@H+](C)Cc3cnn(C)c3)CC2)nc(-c2ccccc2)[nH+]1 ZINC000095521726 136181141 /nfs/dbraw/zinc/18/11/41/136181141.db2.gz OZCXLZRMRPROTA-UHFFFAOYSA-N 2 2 376.508 3.286 50 0 GGAALP Cc1cc(N2CCC([N@H+](C)Cc3cnn(C)c3)CC2)nc(-c2ccccc2)[nH+]1 ZINC000095521726 136181142 /nfs/dbraw/zinc/18/11/42/136181142.db2.gz OZCXLZRMRPROTA-UHFFFAOYSA-N 2 2 376.508 3.286 50 0 GGAALP Cc1cccc2cc(CO)c(N3CCC[C@@H](c4[nH+]ccn4CC[NH+](C)C)C3)nc12 ZINC000095526880 136181584 /nfs/dbraw/zinc/18/15/84/136181584.db2.gz RHGICLLQXQUPQI-LJQANCHMSA-N 2 2 393.535 3.178 50 0 GGAALP CCc1nnc(C[NH2+]C2CCN(c3cc(C)[nH+]c(-c4ccccc4)n3)CC2)o1 ZINC000096151669 136184481 /nfs/dbraw/zinc/18/44/81/136184481.db2.gz GYQAHJCJCZYWIT-UHFFFAOYSA-N 2 2 378.480 3.156 50 0 GGAALP CC(C)(C)NC(=O)C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1cccc(F)c1F)C2 ZINC000426475426 526307417 /nfs/dbraw/zinc/30/74/17/526307417.db2.gz LXOYXTHHJWQUAW-OAQYLSRUSA-N 2 2 379.495 3.167 50 0 GGAALP CC(C)(C)NC(=O)C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1cccc(F)c1F)C2 ZINC000426475426 526307425 /nfs/dbraw/zinc/30/74/25/526307425.db2.gz LXOYXTHHJWQUAW-OAQYLSRUSA-N 2 2 379.495 3.167 50 0 GGAALP CC(C)(C)NC(=O)C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1cccc(F)c1F)C2 ZINC000426475426 526307431 /nfs/dbraw/zinc/30/74/31/526307431.db2.gz LXOYXTHHJWQUAW-OAQYLSRUSA-N 2 2 379.495 3.167 50 0 GGAALP CC(C)(C)NC(=O)C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1cccc(F)c1F)C2 ZINC000426475426 526307438 /nfs/dbraw/zinc/30/74/38/526307438.db2.gz LXOYXTHHJWQUAW-OAQYLSRUSA-N 2 2 379.495 3.167 50 0 GGAALP CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000426606779 529011445 /nfs/dbraw/zinc/01/14/45/529011445.db2.gz RHOOIXXLKOIFAW-IBGZPJMESA-N 2 2 378.948 3.042 50 0 GGAALP CC[N@H+]1CCCC[C@H]1CNC(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000426606779 529011449 /nfs/dbraw/zinc/01/14/49/529011449.db2.gz RHOOIXXLKOIFAW-IBGZPJMESA-N 2 2 378.948 3.042 50 0 GGAALP CC(C)NC(=O)CC[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1cccc(F)c1F)C2 ZINC000426419803 529120469 /nfs/dbraw/zinc/12/04/69/529120469.db2.gz PPPPCGKFPBTCNR-OAQYLSRUSA-N 2 2 379.495 3.167 50 0 GGAALP CC(C)NC(=O)CC[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1cccc(F)c1F)C2 ZINC000426419803 529120470 /nfs/dbraw/zinc/12/04/70/529120470.db2.gz PPPPCGKFPBTCNR-OAQYLSRUSA-N 2 2 379.495 3.167 50 0 GGAALP CC(C)NC(=O)CC[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1cccc(F)c1F)C2 ZINC000426419803 529120473 /nfs/dbraw/zinc/12/04/73/529120473.db2.gz PPPPCGKFPBTCNR-OAQYLSRUSA-N 2 2 379.495 3.167 50 0 GGAALP CC(C)NC(=O)CC[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1cccc(F)c1F)C2 ZINC000426419803 529120476 /nfs/dbraw/zinc/12/04/76/529120476.db2.gz PPPPCGKFPBTCNR-OAQYLSRUSA-N 2 2 379.495 3.167 50 0 GGAALP CCc1c[nH+]c(C)nc1N1CCC([NH2+]Cc2ccc(-n3cccn3)cc2)CC1 ZINC000095511686 536019249 /nfs/dbraw/zinc/01/92/49/536019249.db2.gz PRPJDQIXJXRWCV-UHFFFAOYSA-N 2 2 376.508 3.292 50 0 GGAALP O=C(NC[C@H]1CCC[N@H+](Cc2ccco2)C1)N1CCC(Oc2cc[nH+]cc2)CC1 ZINC000584903559 570274002 /nfs/dbraw/zinc/27/40/02/570274002.db2.gz FVPUFDYGMOEPNI-GOSISDBHSA-N 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CCn1cc[nH+]c1CN1CCC[C@H]([N@H+](C)CCc2ccc(OC)c(OC)c2)C1 ZINC000023373381 570357742 /nfs/dbraw/zinc/35/77/42/570357742.db2.gz XPTIYWRWNCKLBW-IBGZPJMESA-N 2 2 386.540 3.059 50 0 GGAALP CCn1cc[nH+]c1CN1CCC[C@H]([N@@H+](C)CCc2ccc(OC)c(OC)c2)C1 ZINC000023373381 570357746 /nfs/dbraw/zinc/35/77/46/570357746.db2.gz XPTIYWRWNCKLBW-IBGZPJMESA-N 2 2 386.540 3.059 50 0 GGAALP O=C(C1CC[NH+](Cc2ccccc2F)CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000004700359 570394564 /nfs/dbraw/zinc/39/45/64/570394564.db2.gz JVBQSVVWIGIZEV-UHFFFAOYSA-N 2 2 395.522 3.382 50 0 GGAALP Cc1[nH+]ccn1-c1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3cnc(C)nc3)C2)cc1 ZINC000036382365 570564935 /nfs/dbraw/zinc/56/49/35/570564935.db2.gz BFAXEXRADMZPMP-LJQANCHMSA-N 2 2 390.491 3.130 50 0 GGAALP Cc1[nH+]ccn1-c1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3cnc(C)nc3)C2)cc1 ZINC000036382365 570564936 /nfs/dbraw/zinc/56/49/36/570564936.db2.gz BFAXEXRADMZPMP-LJQANCHMSA-N 2 2 390.491 3.130 50 0 GGAALP Fc1ccccc1C[NH+]1CCC(C[N@@H+](Cc2c[nH]cn2)C[C@@H]2CCCO2)CC1 ZINC000011661370 570576944 /nfs/dbraw/zinc/57/69/44/570576944.db2.gz OBKQBYHQGTVHHL-NRFANRHFSA-N 2 2 386.515 3.442 50 0 GGAALP Fc1ccccc1C[NH+]1CCC(C[N@H+](Cc2c[nH]cn2)C[C@@H]2CCCO2)CC1 ZINC000011661370 570576945 /nfs/dbraw/zinc/57/69/45/570576945.db2.gz OBKQBYHQGTVHHL-NRFANRHFSA-N 2 2 386.515 3.442 50 0 GGAALP COc1ccc(-c2n[nH]cc2C[NH+]2CCC([NH+]3CCSCC3)CC2)c(F)c1 ZINC000011664497 570578344 /nfs/dbraw/zinc/57/83/44/570578344.db2.gz OYHMANARAJSWKV-UHFFFAOYSA-N 2 2 390.528 3.238 50 0 GGAALP C[N@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)CCc2cn3ccccc3[nH+]2)C1 ZINC000011936452 570594147 /nfs/dbraw/zinc/59/41/47/570594147.db2.gz UCXBEGJWGFDOKY-OAQYLSRUSA-N 2 2 376.504 3.390 50 0 GGAALP C[N@@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)CCc2cn3ccccc3[nH+]2)C1 ZINC000011936452 570594152 /nfs/dbraw/zinc/59/41/52/570594152.db2.gz UCXBEGJWGFDOKY-OAQYLSRUSA-N 2 2 376.504 3.390 50 0 GGAALP O=C(NC1CC1)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccc4ccccc4n3)CC2)C1 ZINC000011938126 570594683 /nfs/dbraw/zinc/59/46/83/570594683.db2.gz ZWUAXGVSIZFOIE-IBGZPJMESA-N 2 2 392.547 3.190 50 0 GGAALP O=C(NC1CC1)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccc4ccccc4n3)CC2)C1 ZINC000011938126 570594686 /nfs/dbraw/zinc/59/46/86/570594686.db2.gz ZWUAXGVSIZFOIE-IBGZPJMESA-N 2 2 392.547 3.190 50 0 GGAALP Cc1[nH+]cc(C[N@@H+]2CCC[C@H]2C(=O)Nc2ccc(-c3cscn3)cc2)n1C ZINC000012302929 570637147 /nfs/dbraw/zinc/63/71/47/570637147.db2.gz DORGWZSFEIPNAE-IBGZPJMESA-N 2 2 381.505 3.455 50 0 GGAALP Cc1[nH+]cc(C[N@H+]2CCC[C@H]2C(=O)Nc2ccc(-c3cscn3)cc2)n1C ZINC000012302929 570637150 /nfs/dbraw/zinc/63/71/50/570637150.db2.gz DORGWZSFEIPNAE-IBGZPJMESA-N 2 2 381.505 3.455 50 0 GGAALP Cc1cccc(C[NH+]2CCC([NH+]3CCC(C(=O)N4CCCCC4)CC3)CC2)n1 ZINC000012306465 570639129 /nfs/dbraw/zinc/63/91/29/570639129.db2.gz DWKLZVGXMLNXPE-UHFFFAOYSA-N 2 2 384.568 3.079 50 0 GGAALP COc1cccc(C[N@@H+]2CCC[C@H](NC(=O)c3ccc(-n4cc[nH+]c4)cc3)C2)c1 ZINC000012306302 570639196 /nfs/dbraw/zinc/63/91/96/570639196.db2.gz HMMYUHJLYSVZCD-FQEVSTJZSA-N 2 2 390.487 3.275 50 0 GGAALP COc1cccc(C[N@H+]2CCC[C@H](NC(=O)c3ccc(-n4cc[nH+]c4)cc3)C2)c1 ZINC000012306302 570639198 /nfs/dbraw/zinc/63/91/98/570639198.db2.gz HMMYUHJLYSVZCD-FQEVSTJZSA-N 2 2 390.487 3.275 50 0 GGAALP c1nn(-c2ccccn2)c2c1[C@H]([NH2+]C1CC[NH+](Cc3ccccn3)CC1)CCC2 ZINC000012307100 570639427 /nfs/dbraw/zinc/63/94/27/570639427.db2.gz APNQLJRWKBRNGY-OAQYLSRUSA-N 2 2 388.519 3.294 50 0 GGAALP O=C(CC[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccn3)CC2)C1)N1CCCC1 ZINC000012436277 570662161 /nfs/dbraw/zinc/66/21/61/570662161.db2.gz MLLXLBOBEOLTOJ-HXUWFJFHSA-N 2 2 384.568 3.161 50 0 GGAALP O=C(CC[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccccn3)CC2)C1)N1CCCC1 ZINC000012436277 570662163 /nfs/dbraw/zinc/66/21/63/570662163.db2.gz MLLXLBOBEOLTOJ-HXUWFJFHSA-N 2 2 384.568 3.161 50 0 GGAALP O=C(NCc1ccccc1)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000012448435 570667293 /nfs/dbraw/zinc/66/72/93/570667293.db2.gz XQOAWEMROWEISY-QFIPXVFZSA-N 2 2 392.547 3.074 50 0 GGAALP O=C(NCc1ccccc1)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000012448435 570667296 /nfs/dbraw/zinc/66/72/96/570667296.db2.gz XQOAWEMROWEISY-QFIPXVFZSA-N 2 2 392.547 3.074 50 0 GGAALP Cc1cccc(C[NH+]2CCC([NH+]3CCC(C(=O)NC4CCCC4)CC3)CC2)n1 ZINC000055119789 570684009 /nfs/dbraw/zinc/68/40/09/570684009.db2.gz YMZASKZTWQETNW-UHFFFAOYSA-N 2 2 384.568 3.125 50 0 GGAALP COc1cccc(C[NH2+]Cc2cn3c(C)c(C)sc3n2)c1OCC[NH+](C)C ZINC000055307838 570690715 /nfs/dbraw/zinc/69/07/15/570690715.db2.gz RQUGZDDQTXKBQT-UHFFFAOYSA-N 2 2 388.537 3.251 50 0 GGAALP COc1cccc(C[N@@H+]2CCC[C@H]2c2nonc2C)c1OCCCn1cc[nH+]c1 ZINC000055385648 570693743 /nfs/dbraw/zinc/69/37/43/570693743.db2.gz ZBLOHVJBRMVQLE-SFHVURJKSA-N 2 2 397.479 3.389 50 0 GGAALP COc1cccc(C[N@H+]2CCC[C@H]2c2nonc2C)c1OCCCn1cc[nH+]c1 ZINC000055385648 570693746 /nfs/dbraw/zinc/69/37/46/570693746.db2.gz ZBLOHVJBRMVQLE-SFHVURJKSA-N 2 2 397.479 3.389 50 0 GGAALP COc1ccc(F)c(C[NH+]2CCC([C@@H](C)[NH+]3CCN(C)CC3)CC2)c1Cl ZINC000065374160 570762705 /nfs/dbraw/zinc/76/27/05/570762705.db2.gz LROPGSOQAASLJV-OAHLLOKOSA-N 2 2 383.939 3.336 50 0 GGAALP C[NH+](C)CCCn1cc[nH+]c1[C@H]1CCCN(C(=O)c2ccc(F)c(F)c2)C1 ZINC000095516389 571084028 /nfs/dbraw/zinc/08/40/28/571084028.db2.gz ASGQQZLINLQGFY-INIZCTEOSA-N 2 2 376.451 3.133 50 0 GGAALP COc1cccc(C[N@@H+]2CCC[C@]3(CC[NH+](CCCn4cccn4)C3)C2)c1OC ZINC000014959029 1399128570 /nfs/dbraw/zinc/12/85/70/1399128570.db2.gz CNTJKPVSUWLLDK-HSZRJFAPSA-N 2 2 398.551 3.279 50 0 GGAALP COc1cccc(C[N@H+]2CCC[C@]3(CC[NH+](CCCn4cccn4)C3)C2)c1OC ZINC000014959029 1399128576 /nfs/dbraw/zinc/12/85/76/1399128576.db2.gz CNTJKPVSUWLLDK-HSZRJFAPSA-N 2 2 398.551 3.279 50 0 GGAALP COc1cccc(C[NH+]2CCC[C@]3(CC[N@H+](CCCn4cccn4)C3)C2)c1OC ZINC000014959029 1399128579 /nfs/dbraw/zinc/12/85/79/1399128579.db2.gz CNTJKPVSUWLLDK-HSZRJFAPSA-N 2 2 398.551 3.279 50 0 GGAALP COc1cccc(C[NH+]2CCC[C@]3(CC[N@@H+](CCCn4cccn4)C3)C2)c1OC ZINC000014959029 1399128590 /nfs/dbraw/zinc/12/85/90/1399128590.db2.gz CNTJKPVSUWLLDK-HSZRJFAPSA-N 2 2 398.551 3.279 50 0 GGAALP C[N@@H+]1CCCN(C(=O)c2ccc([C@@H]3CCC[NH+]3Cc3ccncc3)s2)CC1 ZINC000020776602 1399352796 /nfs/dbraw/zinc/35/27/96/1399352796.db2.gz HBTYQBJYTWHVQE-SFHVURJKSA-N 2 2 384.549 3.258 50 0 GGAALP C[N@H+]1CCCN(C(=O)c2ccc([C@@H]3CCC[NH+]3Cc3ccncc3)s2)CC1 ZINC000020776602 1399352807 /nfs/dbraw/zinc/35/28/07/1399352807.db2.gz HBTYQBJYTWHVQE-SFHVURJKSA-N 2 2 384.549 3.258 50 0 GGAALP C[NH+]1CCCN(C(=O)c2ccc([C@@H]3CCC[N@@H+]3Cc3ccncc3)s2)CC1 ZINC000020776602 1399352816 /nfs/dbraw/zinc/35/28/16/1399352816.db2.gz HBTYQBJYTWHVQE-SFHVURJKSA-N 2 2 384.549 3.258 50 0 GGAALP C[NH+]1CCCN(C(=O)c2ccc([C@@H]3CCC[N@H+]3Cc3ccncc3)s2)CC1 ZINC000020776602 1399352823 /nfs/dbraw/zinc/35/28/23/1399352823.db2.gz HBTYQBJYTWHVQE-SFHVURJKSA-N 2 2 384.549 3.258 50 0 GGAALP O=c1cc(-c2ccc(F)cc2)nc(-c2ccc(C[N@@H+]3CCC[NH2+]CC3)cc2)[nH]1 ZINC000023543237 1399569424 /nfs/dbraw/zinc/56/94/24/1399569424.db2.gz ZRWRDLXHNXTURC-UHFFFAOYSA-N 2 2 378.451 3.038 50 0 GGAALP O=c1cc(-c2ccc(F)cc2)nc(-c2ccc(C[N@H+]3CCC[NH2+]CC3)cc2)[nH]1 ZINC000023543237 1399569426 /nfs/dbraw/zinc/56/94/26/1399569426.db2.gz ZRWRDLXHNXTURC-UHFFFAOYSA-N 2 2 378.451 3.038 50 0 GGAALP Cn1c(C[NH+]2CCCC2)nnc1[C@@H]1CCC[N@H+](Cc2ccc3ncccc3c2)C1 ZINC000426739711 231256429 /nfs/dbraw/zinc/25/64/29/231256429.db2.gz JHBFVBJWYWRJOE-HXUWFJFHSA-N 2 2 390.535 3.339 50 0 GGAALP Cn1c(C[NH+]2CCCC2)nnc1[C@@H]1CCC[N@@H+](Cc2ccc3ncccc3c2)C1 ZINC000426739711 231256432 /nfs/dbraw/zinc/25/64/32/231256432.db2.gz JHBFVBJWYWRJOE-HXUWFJFHSA-N 2 2 390.535 3.339 50 0 GGAALP CCc1ccc(C[N@@H+]2CCc3c(C(=O)N4CC[C@H]([NH+](C)C)C4)csc3C2)nc1 ZINC000426370404 529643453 /nfs/dbraw/zinc/64/34/53/529643453.db2.gz YTLFDPGAWPSWET-SFHVURJKSA-N 2 2 398.576 3.040 50 0 GGAALP CCc1ccc(C[N@H+]2CCc3c(C(=O)N4CC[C@H]([NH+](C)C)C4)csc3C2)nc1 ZINC000426370404 529643454 /nfs/dbraw/zinc/64/34/54/529643454.db2.gz YTLFDPGAWPSWET-SFHVURJKSA-N 2 2 398.576 3.040 50 0 GGAALP CCc1ccc(C[N@@H+]2CCc3c(C(=O)N4CCC[C@H]([NH3+])CC4)csc3C2)nc1 ZINC000426378010 529643575 /nfs/dbraw/zinc/64/35/75/529643575.db2.gz OVODHTWQJZNAIQ-KRWDZBQOSA-N 2 2 398.576 3.217 50 0 GGAALP CCc1ccc(C[N@H+]2CCc3c(C(=O)N4CCC[C@H]([NH3+])CC4)csc3C2)nc1 ZINC000426378010 529643577 /nfs/dbraw/zinc/64/35/77/529643577.db2.gz OVODHTWQJZNAIQ-KRWDZBQOSA-N 2 2 398.576 3.217 50 0 GGAALP O=C(NC1CC1)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3cc4ccccc4o3)CC2)C1 ZINC000011873332 221133814 /nfs/dbraw/zinc/13/38/14/221133814.db2.gz WIXVHEZGXAAPRM-GOSISDBHSA-N 2 2 381.520 3.388 50 0 GGAALP O=C(NC1CC1)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3cc4ccccc4o3)CC2)C1 ZINC000011873332 221133816 /nfs/dbraw/zinc/13/38/16/221133816.db2.gz WIXVHEZGXAAPRM-GOSISDBHSA-N 2 2 381.520 3.388 50 0 GGAALP Cc1[nH+]cc(C[NH2+]Cc2cccnc2N2CCN(c3ccccc3C)CC2)n1C ZINC000011935125 221139822 /nfs/dbraw/zinc/13/98/22/221139822.db2.gz BYDNCIGREJCNNT-UHFFFAOYSA-N 2 2 390.535 3.048 50 0 GGAALP CC(C)/C=C/C[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000012303083 221177531 /nfs/dbraw/zinc/17/75/31/221177531.db2.gz QSOGISHIZIDIFE-LWQICCLCSA-N 2 2 384.568 3.086 50 0 GGAALP CC(C)/C=C/C[NH+]1CCC([N@H+]2CCC[C@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000012303083 221177534 /nfs/dbraw/zinc/17/75/34/221177534.db2.gz QSOGISHIZIDIFE-LWQICCLCSA-N 2 2 384.568 3.086 50 0 GGAALP c1nn(-c2ccccn2)c2c1[C@@H]([NH2+]C1CC[NH+](Cc3ccccn3)CC1)CCC2 ZINC000012307103 221178933 /nfs/dbraw/zinc/17/89/33/221178933.db2.gz APNQLJRWKBRNGY-NRFANRHFSA-N 2 2 388.519 3.294 50 0 GGAALP Cc1cccc(C[NH+]2CCC([NH+]3CCC(C(=O)N4CCCC[C@@H]4C)CC3)CC2)n1 ZINC000012307411 221179701 /nfs/dbraw/zinc/17/97/01/221179701.db2.gz FDHHWDMYNQUOAA-FQEVSTJZSA-N 2 2 398.595 3.467 50 0 GGAALP CSc1cccc(C[NH+]2CCC([N@@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)c1 ZINC000012587903 221212004 /nfs/dbraw/zinc/21/20/04/221212004.db2.gz ZFFPVENEISACNP-SFHVURJKSA-N 2 2 387.593 3.364 50 0 GGAALP CSc1cccc(C[NH+]2CCC([N@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)c1 ZINC000012587903 221212006 /nfs/dbraw/zinc/21/20/06/221212006.db2.gz ZFFPVENEISACNP-SFHVURJKSA-N 2 2 387.593 3.364 50 0 GGAALP C[NH+]1CCC([N@@H+]2CCC[C@@H](NC(=O)c3cc(C4CC4)nc4ccccc43)C2)CC1 ZINC000012713815 221221240 /nfs/dbraw/zinc/22/12/40/221221240.db2.gz PRYHZMPRUSUPFC-GOSISDBHSA-N 2 2 392.547 3.401 50 0 GGAALP C[NH+]1CCC([N@H+]2CCC[C@@H](NC(=O)c3cc(C4CC4)nc4ccccc43)C2)CC1 ZINC000012713815 221221242 /nfs/dbraw/zinc/22/12/42/221221242.db2.gz PRYHZMPRUSUPFC-GOSISDBHSA-N 2 2 392.547 3.401 50 0 GGAALP Fc1ccc(C[NH2+]Cc2cccnc2N2CCN(c3cccc[nH+]3)CC2)cc1F ZINC000015072585 221331978 /nfs/dbraw/zinc/33/19/78/221331978.db2.gz GBGKYBXGSMBJFN-UHFFFAOYSA-N 2 2 395.457 3.371 50 0 GGAALP O=C(NCc1ccccn1)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000015073145 221331396 /nfs/dbraw/zinc/33/13/96/221331396.db2.gz FCVHYCPYBBOBTN-IBGZPJMESA-N 2 2 398.576 3.136 50 0 GGAALP O=C(NCc1ccccn1)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000015073145 221331397 /nfs/dbraw/zinc/33/13/97/221331397.db2.gz FCVHYCPYBBOBTN-IBGZPJMESA-N 2 2 398.576 3.136 50 0 GGAALP Cc1[nH+]ccn1CC[N@@H+](C)Cc1cccc(-c2nc3c(c(=O)[nH]2)CCCCC3)c1 ZINC000019113591 221396543 /nfs/dbraw/zinc/39/65/43/221396543.db2.gz LBOBJFUNDJQRQR-UHFFFAOYSA-N 2 2 391.519 3.343 50 0 GGAALP Cc1[nH+]ccn1CC[N@H+](C)Cc1cccc(-c2nc3c(c(=O)[nH]2)CCCCC3)c1 ZINC000019113591 221396545 /nfs/dbraw/zinc/39/65/45/221396545.db2.gz LBOBJFUNDJQRQR-UHFFFAOYSA-N 2 2 391.519 3.343 50 0 GGAALP CCc1cc(N2CCC[C@@H]([NH+]3CCN(c4ccccc4C)CC3)C2)nc(C)[nH+]1 ZINC000072163882 136167347 /nfs/dbraw/zinc/16/73/47/136167347.db2.gz UQORHBUGEOOUOJ-OAQYLSRUSA-N 2 2 379.552 3.447 50 0 GGAALP Cc1cc(N2CC[N@@H+](C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)c2ccccc2[nH+]1 ZINC000072470347 136171079 /nfs/dbraw/zinc/17/10/79/136171079.db2.gz KVFIYTSVTKZKTQ-OAQYLSRUSA-N 3 2 396.579 3.289 50 0 GGAALP Cc1cc(N2CC[N@H+](C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)c2ccccc2[nH+]1 ZINC000072470347 136171080 /nfs/dbraw/zinc/17/10/80/136171080.db2.gz KVFIYTSVTKZKTQ-OAQYLSRUSA-N 3 2 396.579 3.289 50 0 GGAALP c1cn(Cc2ccc(N3CCN(c4nc5ccccc5s4)CC3)[nH+]c2)c[nH+]1 ZINC000077470522 136172247 /nfs/dbraw/zinc/17/22/47/136172247.db2.gz OBRKEFZZFPPOGL-UHFFFAOYSA-N 2 2 376.489 3.263 50 0 GGAALP Cc1cc(N2CCC3(CCC(=O)N(CCCn4cc[nH+]c4)C3)CC2)cc(C)[nH+]1 ZINC000095385293 136178724 /nfs/dbraw/zinc/17/87/24/136178724.db2.gz MKNRKKWWKLJCFH-UHFFFAOYSA-N 2 2 381.524 3.194 50 0 GGAALP Cc1nnc([C@H](C)[NH2+]C2CCN(c3cc(C)[nH+]c(-c4ccccc4)n3)CC2)[nH]1 ZINC000095497316 136179674 /nfs/dbraw/zinc/17/96/74/136179674.db2.gz AXHDLABWSZSRDP-HNNXBMFYSA-N 2 2 377.496 3.198 50 0 GGAALP COc1cccc2ccc(N3CCC(c4[nH+]ccn4CC[NH+](C)C)CC3)nc21 ZINC000095498342 136179731 /nfs/dbraw/zinc/17/97/31/136179731.db2.gz LQZALESCYPQAQN-UHFFFAOYSA-N 2 2 379.508 3.386 50 0 GGAALP Cc1cc(N2CCC([NH2+]CCCn3cc(Cl)cn3)CC2)nc(C(C)C)[nH+]1 ZINC000095516765 136180886 /nfs/dbraw/zinc/18/08/86/136180886.db2.gz JYRXOFVQZQDKQE-UHFFFAOYSA-N 2 2 376.936 3.407 50 0 GGAALP CCCc1cc(N2CCC([NH+]3CCC(Cn4cccn4)CC3)CC2)nc(C)[nH+]1 ZINC000095526770 136181539 /nfs/dbraw/zinc/18/15/39/136181539.db2.gz RGWAEZJRCAMBTC-UHFFFAOYSA-N 2 2 382.556 3.315 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PJVLFAPBKMWLCT-JOCHJYFZSA-N 2 2 398.595 3.455 50 0 GGAALP C[NH+](C)CCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2ccc3cccnc3c2)C1 ZINC000095519452 222347330 /nfs/dbraw/zinc/34/73/30/222347330.db2.gz MQEQIWXIOVUZFK-HXUWFJFHSA-N 2 2 391.519 3.403 50 0 GGAALP Cc1ccc([C@@H]2CN(C(=O)Cc3c[nH+]c4c(C)cccn34)C[C@H]2[NH+](C)C)cc1 ZINC000095527522 222351346 /nfs/dbraw/zinc/35/13/46/222351346.db2.gz DRLQNPNNNVETRE-LEWJYISDSA-N 2 2 376.504 3.050 50 0 GGAALP C[NH+](C)CCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)C2(c3ccccc3)CC2)C1 ZINC000095531508 222355578 /nfs/dbraw/zinc/35/55/78/222355578.db2.gz BXLFHBLBYQWBLJ-LJQANCHMSA-N 2 2 380.536 3.273 50 0 GGAALP COc1ccc(C[NH+]2CCC(c3nnc(C[NH+]4CCCCC4)n3C)CC2)cc1 ZINC000096142119 222388060 /nfs/dbraw/zinc/38/80/60/222388060.db2.gz PUACBMSKWBOHLO-UHFFFAOYSA-N 2 2 383.540 3.189 50 0 GGAALP CCc1ccc(C[NH+]2CCC(c3nnc(C[NH+]4CCCCC4)n3C)CC2)nc1 ZINC000096152751 222391077 /nfs/dbraw/zinc/39/10/77/222391077.db2.gz QNBDNPKSRXAWEB-UHFFFAOYSA-N 2 2 382.556 3.138 50 0 GGAALP CCCN1CCc2[nH+]c[nH]c2C12CC[NH+](Cc1ccc(-c3cc[nH]n3)o1)CC2 ZINC000096151559 222391740 /nfs/dbraw/zinc/39/17/40/222391740.db2.gz FHZAIJDCGVKKPF-UHFFFAOYSA-N 2 2 380.496 3.152 50 0 GGAALP Cn1c(C[NH+]2CCCC2)nnc1[C@H]1CCC[N@H+](Cc2ccc3ncccc3c2)C1 ZINC000426739707 534686843 /nfs/dbraw/zinc/68/68/43/534686843.db2.gz JHBFVBJWYWRJOE-FQEVSTJZSA-N 2 2 390.535 3.339 50 0 GGAALP Cn1c(C[NH+]2CCCC2)nnc1[C@H]1CCC[N@@H+](Cc2ccc3ncccc3c2)C1 ZINC000426739707 534686846 /nfs/dbraw/zinc/68/68/46/534686846.db2.gz JHBFVBJWYWRJOE-FQEVSTJZSA-N 2 2 390.535 3.339 50 0 GGAALP CCc1cc(N2CCC([NH+]3CCN(Cc4ccccc4)CC3)CC2)nc(C)[nH+]1 ZINC000095501607 536144692 /nfs/dbraw/zinc/14/46/92/536144692.db2.gz DWMUVVHHBDYYAK-UHFFFAOYSA-N 2 2 379.552 3.134 50 0 GGAALP CCc1cc(N2CCC(N3CC[NH+](Cc4ccccc4)CC3)CC2)nc(C)[nH+]1 ZINC000095501607 536144696 /nfs/dbraw/zinc/14/46/96/536144696.db2.gz DWMUVVHHBDYYAK-UHFFFAOYSA-N 2 2 379.552 3.134 50 0 GGAALP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(Oc2nnnn2-c2ccccc2)cc1 ZINC000096319055 570228813 /nfs/dbraw/zinc/22/88/13/570228813.db2.gz YTNXCRLQDGIVCC-IBGZPJMESA-N 2 2 378.480 3.029 50 0 GGAALP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(Oc2nnnn2-c2ccccc2)cc1 ZINC000096319055 570228814 /nfs/dbraw/zinc/22/88/14/570228814.db2.gz YTNXCRLQDGIVCC-IBGZPJMESA-N 2 2 378.480 3.029 50 0 GGAALP O=C(CCc1cn2ccccc2[nH+]1)NC[C@@H](c1cccnc1)[NH+]1CCCCC1 ZINC000097436763 570243801 /nfs/dbraw/zinc/24/38/01/570243801.db2.gz YYPPBIYUQPPTLF-FQEVSTJZSA-N 2 2 377.492 3.005 50 0 GGAALP COc1ccccc1/C=C/C[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)NC3CC3)C2)CC1 ZINC000020455262 570258615 /nfs/dbraw/zinc/25/86/15/570258615.db2.gz XKEAQMDRQXDRJN-PDGUBNMISA-N 2 2 397.563 3.163 50 0 GGAALP COc1ccccc1/C=C/C[NH+]1CCC([N@H+]2CCC[C@H](C(=O)NC3CC3)C2)CC1 ZINC000020455262 570258618 /nfs/dbraw/zinc/25/86/18/570258618.db2.gz XKEAQMDRQXDRJN-PDGUBNMISA-N 2 2 397.563 3.163 50 0 GGAALP c1c(-c2ccc3c(c2)OCO3)[nH+]c2n1c1ccccc1n2CC[NH+]1CCOCC1 ZINC000020463153 570261143 /nfs/dbraw/zinc/26/11/43/570261143.db2.gz PDQWGJRSNZPVJK-UHFFFAOYSA-N 2 2 390.443 3.017 50 0 GGAALP CC(C)(C[NH2+][C@@H]1CCCN(c2nc3ccccc3s2)C1)C[NH+]1CCOCC1 ZINC000020542569 570267310 /nfs/dbraw/zinc/26/73/10/570267310.db2.gz SLOLBYUIQPSPHX-QGZVFWFLSA-N 2 2 388.581 3.213 50 0 GGAALP Cc1cc(C)c(CNC(=O)N2CC[NH+]([C@@H]3CCc4ccccc4C3)CC2)c[nH+]1 ZINC000584901222 570270765 /nfs/dbraw/zinc/27/07/65/570270765.db2.gz SHPUKYMPSVQRHC-JOCHJYFZSA-N 2 2 378.520 3.083 50 0 GGAALP C[NH+]1CCC(N(CCc2ccccc2)C(=O)NCc2c[nH+]cn2C2CC2)CC1 ZINC000584901570 570271060 /nfs/dbraw/zinc/27/10/60/570271060.db2.gz STKPRRYCHXQPHI-UHFFFAOYSA-N 2 2 381.524 3.067 50 0 GGAALP O=C(NC[C@@H]1CCC[N@H+](Cc2ccco2)C1)N1CCC(Oc2cc[nH+]cc2)CC1 ZINC000584903560 570274025 /nfs/dbraw/zinc/27/40/25/570274025.db2.gz FVPUFDYGMOEPNI-SFHVURJKSA-N 2 2 398.507 3.140 50 0 GGAALP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccco2)C1)N1CCC(Oc2cc[nH+]cc2)CC1 ZINC000584903560 570274027 /nfs/dbraw/zinc/27/40/27/570274027.db2.gz FVPUFDYGMOEPNI-SFHVURJKSA-N 2 2 398.507 3.140 50 0 GGAALP C[N@@H+]1CCCC[C@H]1CC(=O)N1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000215831225 570292127 /nfs/dbraw/zinc/29/21/27/570292127.db2.gz KAIBUFNFJKRDJQ-SFHVURJKSA-N 2 2 383.458 3.224 50 0 GGAALP C[N@H+]1CCCC[C@H]1CC(=O)N1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000215831225 570292129 /nfs/dbraw/zinc/29/21/29/570292129.db2.gz KAIBUFNFJKRDJQ-SFHVURJKSA-N 2 2 383.458 3.224 50 0 GGAALP C[C@H]1CCCN(C(=O)c2cccc(OC3CC[NH+](C4CC[NH+](C)CC4)CC3)c2)C1 ZINC000023338201 570354972 /nfs/dbraw/zinc/35/49/72/570354972.db2.gz QKMOKKUSOWYASM-IBGZPJMESA-N 2 2 399.579 3.496 50 0 GGAALP C[C@@H]1CCCN(C(=O)c2cccc(OC3CC[NH+](C4CC[NH+](C)CC4)CC3)c2)C1 ZINC000023338199 570355006 /nfs/dbraw/zinc/35/50/06/570355006.db2.gz QKMOKKUSOWYASM-LJQANCHMSA-N 2 2 399.579 3.496 50 0 GGAALP Cc1[nH+]c[nH]c1C[N@@H+]1CCc2c(cnc(C)c2-c2noc(-c3ccncc3)n2)C1 ZINC000023582005 570366391 /nfs/dbraw/zinc/36/63/91/570366391.db2.gz SAHKBBCECKCNLC-UHFFFAOYSA-N 2 2 387.447 3.092 50 0 GGAALP Cc1[nH+]c[nH]c1C[N@H+]1CCc2c(cnc(C)c2-c2noc(-c3ccncc3)n2)C1 ZINC000023582005 570366392 /nfs/dbraw/zinc/36/63/92/570366392.db2.gz SAHKBBCECKCNLC-UHFFFAOYSA-N 2 2 387.447 3.092 50 0 GGAALP O=C(Cc1ccccc1)N1CC[NH+](C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000004700850 570394943 /nfs/dbraw/zinc/39/49/43/570394943.db2.gz FYFOPACQNSPZEH-UHFFFAOYSA-N 2 2 377.532 3.038 50 0 GGAALP COc1cccc(C[NH+]2CCC([NH+]3CCN(c4ccccc4)CC3)CC2)c1OC ZINC000004712109 570397251 /nfs/dbraw/zinc/39/72/51/570397251.db2.gz QBIPJDYJMHYOKH-UHFFFAOYSA-N 2 2 395.547 3.490 50 0 GGAALP COc1cc(C[NH2+]CCC[NH+]2CCOCC2)ccc1OCc1ccccc1C ZINC000005019802 570424400 /nfs/dbraw/zinc/42/44/00/570424400.db2.gz GCXZRSCRVVJFFB-UHFFFAOYSA-N 2 2 384.520 3.395 50 0 GGAALP COc1cc(C[NH2+]CCC[NH+]2CCOCC2)ccc1OCc1ccc(F)cc1 ZINC000005019624 570424471 /nfs/dbraw/zinc/42/44/71/570424471.db2.gz NDJKCVXSYNXXAR-UHFFFAOYSA-N 2 2 388.483 3.225 50 0 GGAALP CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)C[NH2+]CCC[NH+](C)C ZINC000001807243 570426658 /nfs/dbraw/zinc/42/66/58/570426658.db2.gz UOBYGYLBCYXLAU-UHFFFAOYSA-N 2 2 389.521 3.072 50 0 GGAALP Cc1nc(N(C)CC2CC[NH+](Cc3ccccc3)CC2)cc(C2CC(O)C2)[nH+]1 ZINC000223731895 570481848 /nfs/dbraw/zinc/48/18/48/570481848.db2.gz QZPYHOMKESREPE-UHFFFAOYSA-N 2 2 380.536 3.372 50 0 GGAALP O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000032823152 570514389 /nfs/dbraw/zinc/51/43/89/570514389.db2.gz OVAWHEIHJJIXNQ-UHFFFAOYSA-N 2 2 378.520 3.026 50 0 GGAALP Fc1ccc(C[NH+]2CCC(c3[nH]n4cnc5nncc-5c4[nH+]3)CC2)c(Cl)c1 ZINC000006828726 570626918 /nfs/dbraw/zinc/62/69/18/570626918.db2.gz VCHNSRKJTJQVIT-UHFFFAOYSA-N 2 2 385.834 3.173 50 0 GGAALP Cc1cc(C)c(NC(=O)C[NH+]2CCCCC2)cc1NC(=O)C[NH+]1CCCCC1 ZINC000003093294 570680329 /nfs/dbraw/zinc/68/03/29/570680329.db2.gz VHEBEHSPOITZIE-UHFFFAOYSA-N 2 2 386.540 3.152 50 0 GGAALP CC[NH+](CC)CCn1c2ccccc2n(C[C@@H](O)COc2ccccc2C)c1=[NH2+] ZINC000003653187 570881190 /nfs/dbraw/zinc/88/11/90/570881190.db2.gz QSXDXKQXUFBCJW-LJQANCHMSA-N 2 2 396.535 3.012 50 0 GGAALP COc1cccc(C[NH2+]CC[C@H]2CCC(=O)N2Cc2cn3ccc(C)cc3[nH+]2)c1 ZINC000299762227 570892857 /nfs/dbraw/zinc/89/28/57/570892857.db2.gz MMHADFQSZZDSNS-HXUWFJFHSA-N 2 2 392.503 3.322 50 0 GGAALP CN(Cc1[nH]cc[nH+]1)C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+]1CCCCC1 ZINC000534649159 570917393 /nfs/dbraw/zinc/91/73/93/570917393.db2.gz SBBOZYGVDFWBNI-KRWDZBQOSA-N 2 2 375.904 3.432 50 0 GGAALP CC[NH+]1CCC([N@@H+]2CCC[C@H](N3CCN(c4cccc(Cl)c4)CC3)C2)CC1 ZINC000019228861 570964363 /nfs/dbraw/zinc/96/43/63/570964363.db2.gz MKHGIGNYXPVHIR-QFIPXVFZSA-N 2 2 391.003 3.411 50 0 GGAALP CC[NH+]1CCC([N@H+]2CCC[C@H](N3CCN(c4cccc(Cl)c4)CC3)C2)CC1 ZINC000019228861 570964369 /nfs/dbraw/zinc/96/43/69/570964369.db2.gz MKHGIGNYXPVHIR-QFIPXVFZSA-N 2 2 391.003 3.411 50 0 GGAALP CCn1cc(C[N@@H+]2CCC[C@@H]2C(=O)Nc2ccc(-n3cc[nH+]c3C)cc2)c(C)n1 ZINC000011817021 570979951 /nfs/dbraw/zinc/97/99/51/570979951.db2.gz GEBIAQIZUTULGH-OAQYLSRUSA-N 2 2 392.507 3.309 50 0 GGAALP CCn1cc(C[N@H+]2CCC[C@@H]2C(=O)Nc2ccc(-n3cc[nH+]c3C)cc2)c(C)n1 ZINC000011817021 570979957 /nfs/dbraw/zinc/97/99/57/570979957.db2.gz GEBIAQIZUTULGH-OAQYLSRUSA-N 2 2 392.507 3.309 50 0 GGAALP Cc1cc(C[N@@H+]2CCC[C@]3(CCC(=O)N(CCc4c[nH+]c[nH]4)C3)C2)ccc1F ZINC000091364987 571004613 /nfs/dbraw/zinc/00/46/13/571004613.db2.gz CMYUCSDEGBGDCX-QFIPXVFZSA-N 2 2 384.499 3.305 50 0 GGAALP Cc1cc(C[N@H+]2CCC[C@]3(CCC(=O)N(CCc4c[nH+]c[nH]4)C3)C2)ccc1F ZINC000091364987 571004617 /nfs/dbraw/zinc/00/46/17/571004617.db2.gz CMYUCSDEGBGDCX-QFIPXVFZSA-N 2 2 384.499 3.305 50 0 GGAALP Cc1cc(C[N@@H+]2CCC[C@]3(CCC(=O)N(CCc4c[nH]c[nH+]4)C3)C2)ccc1F ZINC000091364987 571004621 /nfs/dbraw/zinc/00/46/21/571004621.db2.gz CMYUCSDEGBGDCX-QFIPXVFZSA-N 2 2 384.499 3.305 50 0 GGAALP Cc1cc(C[N@H+]2CCC[C@]3(CCC(=O)N(CCc4c[nH]c[nH+]4)C3)C2)ccc1F ZINC000091364987 571004624 /nfs/dbraw/zinc/00/46/24/571004624.db2.gz CMYUCSDEGBGDCX-QFIPXVFZSA-N 2 2 384.499 3.305 50 0 GGAALP C[C@H](C[NH+]1CCC2(CCC(=O)N(CCc3c[nH+]c[nH]3)C2)CC1)c1ccccc1 ZINC000091779653 571030165 /nfs/dbraw/zinc/03/01/65/571030165.db2.gz UWJQTSRLMFWEFO-LJQANCHMSA-N 2 2 380.536 3.461 50 0 GGAALP C[C@H](C[NH+]1CCC2(CCC(=O)N(CCc3c[nH]c[nH+]3)C2)CC1)c1ccccc1 ZINC000091779653 571030168 /nfs/dbraw/zinc/03/01/68/571030168.db2.gz UWJQTSRLMFWEFO-LJQANCHMSA-N 2 2 380.536 3.461 50 0 GGAALP C[C@@H](C[NH+]1CCC2(CCC(=O)N(CCc3c[nH+]c[nH]3)C2)CC1)c1ccccc1 ZINC000091779648 571030268 /nfs/dbraw/zinc/03/02/68/571030268.db2.gz UWJQTSRLMFWEFO-IBGZPJMESA-N 2 2 380.536 3.461 50 0 GGAALP C[C@@H](C[NH+]1CCC2(CCC(=O)N(CCc3c[nH]c[nH+]3)C2)CC1)c1ccccc1 ZINC000091779648 571030269 /nfs/dbraw/zinc/03/02/69/571030269.db2.gz UWJQTSRLMFWEFO-IBGZPJMESA-N 2 2 380.536 3.461 50 0 GGAALP CS[C@H](C)CC[NH+]1CCC2(CCC(=O)N(CCCn3cc[nH+]c3)C2)CC1 ZINC000092099272 571044861 /nfs/dbraw/zinc/04/48/61/571044861.db2.gz WSZDVHCVAJELHP-GOSISDBHSA-N 2 2 378.586 3.119 50 0 GGAALP Cn1c(Cn2cc[nH+]c2)nnc1[C@H]1CCC[N@H+](Cc2cc3ccccc3o2)C1 ZINC000095359517 571054264 /nfs/dbraw/zinc/05/42/64/571054264.db2.gz VFDKWCUDFONEEA-KRWDZBQOSA-N 2 2 376.464 3.186 50 0 GGAALP Cn1c(Cn2cc[nH+]c2)nnc1[C@H]1CCC[N@@H+](Cc2cc3ccccc3o2)C1 ZINC000095359517 571054266 /nfs/dbraw/zinc/05/42/66/571054266.db2.gz VFDKWCUDFONEEA-KRWDZBQOSA-N 2 2 376.464 3.186 50 0 GGAALP O=C(c1ccccc1)N1CCC([N@H+]2C[C@H]3CC[C@H](C[NH+]3CC3CCC3)C2)CC1 ZINC000095361509 571055715 /nfs/dbraw/zinc/05/57/15/571055715.db2.gz KARSKUCLGDZWLC-NFBKMPQASA-N 2 2 381.564 3.488 50 0 GGAALP O=C(c1ccccc1)N1CCC([N@@H+]2C[C@H]3CC[C@H](C[NH+]3CC3CCC3)C2)CC1 ZINC000095361509 571055717 /nfs/dbraw/zinc/05/57/17/571055717.db2.gz KARSKUCLGDZWLC-NFBKMPQASA-N 2 2 381.564 3.488 50 0 GGAALP O=C(c1ccccc1)N1CCC([NH+]2C[C@H]3CC[C@H](C[N@H+]3CC3CCC3)C2)CC1 ZINC000095361509 571055719 /nfs/dbraw/zinc/05/57/19/571055719.db2.gz KARSKUCLGDZWLC-NFBKMPQASA-N 2 2 381.564 3.488 50 0 GGAALP O=C(c1ccccc1)N1CCC([NH+]2C[C@H]3CC[C@H](C[N@@H+]3CC3CCC3)C2)CC1 ZINC000095361509 571055720 /nfs/dbraw/zinc/05/57/20/571055720.db2.gz KARSKUCLGDZWLC-NFBKMPQASA-N 2 2 381.564 3.488 50 0 GGAALP C[NH+](C)CCCn1cc[nH+]c1C1CCN(C(=O)c2cc3sccc3[nH]2)CC1 ZINC000095363100 571056542 /nfs/dbraw/zinc/05/65/42/571056542.db2.gz VAQFPRMWCPFBIH-UHFFFAOYSA-N 2 2 385.537 3.397 50 0 GGAALP C[C@@H](C[NH+]1CCC2(CCC(=O)N(CCCn3cc[nH+]c3)C2)CC1)C(F)(F)F ZINC000095377088 571065227 /nfs/dbraw/zinc/06/52/27/571065227.db2.gz BYAPQSMVHMCSHU-INIZCTEOSA-N 2 2 386.462 3.176 50 0 GGAALP O=C(Nc1ccc(-c2cscn2)cc1)[C@@H]1CCC[N@H+](CCc2[nH]cc[nH+]2)C1 ZINC000095509956 571081185 /nfs/dbraw/zinc/08/11/85/571081185.db2.gz OKONRWFPGQIYGV-MRXNPFEDSA-N 2 2 381.505 3.426 50 0 GGAALP O=C(Nc1ccc(-c2cscn2)cc1)[C@@H]1CCC[N@@H+](CCc2[nH]cc[nH+]2)C1 ZINC000095509956 571081188 /nfs/dbraw/zinc/08/11/88/571081188.db2.gz OKONRWFPGQIYGV-MRXNPFEDSA-N 2 2 381.505 3.426 50 0 GGAALP COc1cccc(C[N@@H+]2CCC[C@@]3(CCN(Cc4c[nH+]c(C)n4C)C3)C2)c1OC ZINC000011820227 1399014378 /nfs/dbraw/zinc/01/43/78/1399014378.db2.gz MCJUZYTZXJLJEM-HSZRJFAPSA-N 2 2 398.551 3.234 50 0 GGAALP COc1cccc(C[N@H+]2CCC[C@@]3(CCN(Cc4c[nH+]c(C)n4C)C3)C2)c1OC ZINC000011820227 1399014380 /nfs/dbraw/zinc/01/43/80/1399014380.db2.gz MCJUZYTZXJLJEM-HSZRJFAPSA-N 2 2 398.551 3.234 50 0 GGAALP COCC[N@@H+]1CCC[C@]2(CC[NH+](Cc3cnn(-c4ccc(Cl)cc4)c3)C2)C1 ZINC000012702025 1399053822 /nfs/dbraw/zinc/05/38/22/1399053822.db2.gz HGLOUMBKNWBSJR-NRFANRHFSA-N 2 2 388.943 3.460 50 0 GGAALP COCC[N@H+]1CCC[C@]2(CC[NH+](Cc3cnn(-c4ccc(Cl)cc4)c3)C2)C1 ZINC000012702025 1399053823 /nfs/dbraw/zinc/05/38/23/1399053823.db2.gz HGLOUMBKNWBSJR-NRFANRHFSA-N 2 2 388.943 3.460 50 0 GGAALP COCC[NH+]1CCC[C@]2(CC[N@H+](Cc3cnn(-c4ccc(Cl)cc4)c3)C2)C1 ZINC000012702025 1399053825 /nfs/dbraw/zinc/05/38/25/1399053825.db2.gz HGLOUMBKNWBSJR-NRFANRHFSA-N 2 2 388.943 3.460 50 0 GGAALP COCC[NH+]1CCC[C@]2(CC[N@@H+](Cc3cnn(-c4ccc(Cl)cc4)c3)C2)C1 ZINC000012702025 1399053830 /nfs/dbraw/zinc/05/38/30/1399053830.db2.gz HGLOUMBKNWBSJR-NRFANRHFSA-N 2 2 388.943 3.460 50 0 GGAALP O[C@H]1[C@H]([NH+]2CCSCC2)c2ccccc2C12CCN(c1cccc[nH+]1)CC2 ZINC000019147877 1399326549 /nfs/dbraw/zinc/32/65/49/1399326549.db2.gz QSMPNAGGSCKYRA-RTWAWAEBSA-N 2 2 381.545 3.084 50 0 GGAALP C[N@H+]1[C@@H](c2ccccc2F)[C@@H](C[NH2+]Cc2ccc(-n3cccn3)cc2)C[C@H]1CO ZINC000020454887 1399347312 /nfs/dbraw/zinc/34/73/12/1399347312.db2.gz LMNKUVDKDBJFFH-QMHWCDLVSA-N 2 2 394.494 3.155 50 0 GGAALP C[N@@H+]1[C@@H](c2ccccc2F)[C@@H](C[NH2+]Cc2ccc(-n3cccn3)cc2)C[C@H]1CO ZINC000020454887 1399347317 /nfs/dbraw/zinc/34/73/17/1399347317.db2.gz LMNKUVDKDBJFFH-QMHWCDLVSA-N 2 2 394.494 3.155 50 0 GGAALP c1cc(C[N@@H+]2CCC[C@@H](N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)C2)cs1 ZINC000022930634 1399518498 /nfs/dbraw/zinc/51/84/98/1399518498.db2.gz NNOYHYSFPZWVTJ-HXUWFJFHSA-N 2 2 399.560 3.259 50 0 GGAALP c1cc(C[N@H+]2CCC[C@@H](N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)C2)cs1 ZINC000022930634 1399518499 /nfs/dbraw/zinc/51/84/99/1399518499.db2.gz NNOYHYSFPZWVTJ-HXUWFJFHSA-N 2 2 399.560 3.259 50 0 GGAALP CCCc1cc(=O)[nH]c(-c2ccccc2C[N@H+](C2CC2)C2CC[NH+](C)CC2)n1 ZINC000048390812 1405176373 /nfs/dbraw/zinc/17/63/73/1405176373.db2.gz PNJGUQFNCUDKJJ-UHFFFAOYSA-N 2 2 380.536 3.448 50 0 GGAALP CCCc1cc(=O)[nH]c(-c2ccccc2C[N@@H+](C2CC2)C2CC[NH+](C)CC2)n1 ZINC000048390812 1405176385 /nfs/dbraw/zinc/17/63/85/1405176385.db2.gz PNJGUQFNCUDKJJ-UHFFFAOYSA-N 2 2 380.536 3.448 50 0 GGAALP O=c1[nH]c(-c2ccc(C[N@@H+]3CCC[C@H]3c3nccs3)cc2)nc2c1C[NH2+]CC2 ZINC000096879112 1410337200 /nfs/dbraw/zinc/33/72/00/1410337200.db2.gz NJBTXVUDSNWIJH-SFHVURJKSA-N 2 2 393.516 3.289 50 0 GGAALP O=c1[nH]c(-c2ccc(C[N@H+]3CCC[C@H]3c3nccs3)cc2)nc2c1C[NH2+]CC2 ZINC000096879112 1410337204 /nfs/dbraw/zinc/33/72/04/1410337204.db2.gz NJBTXVUDSNWIJH-SFHVURJKSA-N 2 2 393.516 3.289 50 0 GGAALP O=c1cc(C(F)F)nc(-c2ccccc2C[NH+]2CCC(Cn3cc[nH+]c3)CC2)[nH]1 ZINC000096879116 1410337254 /nfs/dbraw/zinc/33/72/54/1410337254.db2.gz LBZSYMINDBRDSI-UHFFFAOYSA-N 2 2 399.445 3.483 50 0 GGAALP CCc1ccc(C[NH+]2CCc3c(C(=O)N[C@@H]4CC[N@@H+](CC)C4)csc3C2)nc1 ZINC000426515470 529644263 /nfs/dbraw/zinc/64/42/63/529644263.db2.gz CWDPCNXNZUTWCP-GOSISDBHSA-N 2 2 398.576 3.088 50 0 GGAALP CCc1ccc(C[NH+]2CCc3c(C(=O)N[C@@H]4CC[N@H+](CC)C4)csc3C2)nc1 ZINC000426515470 529644266 /nfs/dbraw/zinc/64/42/66/529644266.db2.gz CWDPCNXNZUTWCP-GOSISDBHSA-N 2 2 398.576 3.088 50 0 GGAALP CCc1ccc(C[N@H+]2CCc3c(C(=O)N[C@@H]4CC[NH+](CC)C4)csc3C2)nc1 ZINC000426515470 529644269 /nfs/dbraw/zinc/64/42/69/529644269.db2.gz CWDPCNXNZUTWCP-GOSISDBHSA-N 2 2 398.576 3.088 50 0 GGAALP CCc1ccc(C[N@@H+]2CCc3c(C(=O)N[C@@H]4CC[NH+](CC)C4)csc3C2)nc1 ZINC000426515470 529644273 /nfs/dbraw/zinc/64/42/73/529644273.db2.gz CWDPCNXNZUTWCP-GOSISDBHSA-N 2 2 398.576 3.088 50 0 GGAALP CCc1ccc(C[N@@H+]2CCc3c(C(=O)N[C@H]4CCC[NH+](C)C4)csc3C2)nc1 ZINC000426477243 529644584 /nfs/dbraw/zinc/64/45/84/529644584.db2.gz QAZSTKUGYBPIBJ-SFHVURJKSA-N 2 2 398.576 3.088 50 0 GGAALP CCc1ccc(C[N@H+]2CCc3c(C(=O)N[C@H]4CCC[NH+](C)C4)csc3C2)nc1 ZINC000426477243 529644586 /nfs/dbraw/zinc/64/45/86/529644586.db2.gz QAZSTKUGYBPIBJ-SFHVURJKSA-N 2 2 398.576 3.088 50 0 GGAALP CCc1ccc(C[NH+]2CCc3c(C(=O)N[C@H]4CCC[N@H+](C)C4)csc3C2)nc1 ZINC000426477243 529644587 /nfs/dbraw/zinc/64/45/87/529644587.db2.gz QAZSTKUGYBPIBJ-SFHVURJKSA-N 2 2 398.576 3.088 50 0 GGAALP CCc1ccc(C[NH+]2CCc3c(C(=O)N[C@H]4CCC[N@@H+](C)C4)csc3C2)nc1 ZINC000426477243 529644589 /nfs/dbraw/zinc/64/45/89/529644589.db2.gz QAZSTKUGYBPIBJ-SFHVURJKSA-N 2 2 398.576 3.088 50 0 GGAALP CCc1ccc(C[N@@H+]2CCc3c(C(=O)NCC[NH+]4CCCC4)csc3C2)nc1 ZINC000426382876 529645032 /nfs/dbraw/zinc/64/50/32/529645032.db2.gz FZTTULHDDRWGNT-UHFFFAOYSA-N 2 2 398.576 3.089 50 0 GGAALP CCc1ccc(C[N@H+]2CCc3c(C(=O)NCC[NH+]4CCCC4)csc3C2)nc1 ZINC000426382876 529645036 /nfs/dbraw/zinc/64/50/36/529645036.db2.gz FZTTULHDDRWGNT-UHFFFAOYSA-N 2 2 398.576 3.089 50 0 GGAALP c1ccc(N2CC[NH+](C3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)CC2)cc1 ZINC000004199083 204032921 /nfs/dbraw/zinc/03/29/21/204032921.db2.gz QWDDEWJWJJNIPN-UHFFFAOYSA-N 2 2 379.504 3.202 50 0 GGAALP CCc1cccc(NC(=O)NCCNc2cc(-n3cc[nH+]c3C)nc(C)[nH+]2)c1 ZINC000035598139 204274742 /nfs/dbraw/zinc/27/47/42/204274742.db2.gz LDXYATQZOFYYHQ-UHFFFAOYSA-N 2 2 379.468 3.075 50 0 GGAALP O=C1CC[C@@H](CC[NH2+]Cc2cccc(C(F)(F)F)c2)N1CCCn1cc[nH+]c1 ZINC000011785027 204352842 /nfs/dbraw/zinc/35/28/42/204352842.db2.gz QACZAKUXQMCJGL-SFHVURJKSA-N 2 2 394.441 3.463 50 0 GGAALP CC[C@@H](C)CNC(=O)C1CC[NH+](C2CC[NH+](Cc3cccc(C)n3)CC2)CC1 ZINC000011821243 204355056 /nfs/dbraw/zinc/35/50/56/204355056.db2.gz JYKBEXYKQYFNIW-GOSISDBHSA-N 2 2 386.584 3.229 50 0 GGAALP C[NH+]1CCC([N@@H+]2CCC[C@@H](NC(=O)C3(c4ccc(Cl)cc4)CC3)C2)CC1 ZINC000011878580 204359119 /nfs/dbraw/zinc/35/91/19/204359119.db2.gz YJIZJIIIWZEXDQ-GOSISDBHSA-N 2 2 375.944 3.046 50 0 GGAALP C[NH+]1CCC([N@H+]2CCC[C@@H](NC(=O)C3(c4ccc(Cl)cc4)CC3)C2)CC1 ZINC000011878580 204359124 /nfs/dbraw/zinc/35/91/24/204359124.db2.gz YJIZJIIIWZEXDQ-GOSISDBHSA-N 2 2 375.944 3.046 50 0 GGAALP CCOc1cccc(C[NH+]2CCC([N@@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)c1 ZINC000011933105 204362879 /nfs/dbraw/zinc/36/28/79/204362879.db2.gz DZZPTTFYCYNJGQ-IBGZPJMESA-N 2 2 385.552 3.040 50 0 GGAALP CCOc1cccc(C[NH+]2CCC([N@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)c1 ZINC000011933105 204362882 /nfs/dbraw/zinc/36/28/82/204362882.db2.gz DZZPTTFYCYNJGQ-IBGZPJMESA-N 2 2 385.552 3.040 50 0 GGAALP COc1ccc(C2(C(=O)N[C@@H]3CCC[N@@H+](C4CC[NH+](C)CC4)C3)CCCC2)cc1 ZINC000011956794 204364462 /nfs/dbraw/zinc/36/44/62/204364462.db2.gz XAGKBHDLXGPFAH-HXUWFJFHSA-N 2 2 399.579 3.182 50 0 GGAALP COc1ccc(C2(C(=O)N[C@@H]3CCC[N@H+](C4CC[NH+](C)CC4)C3)CCCC2)cc1 ZINC000011956794 204364466 /nfs/dbraw/zinc/36/44/66/204364466.db2.gz XAGKBHDLXGPFAH-HXUWFJFHSA-N 2 2 399.579 3.182 50 0 GGAALP c1ccc(N2CCN(c3ncccc3C[NH2+]C3Cc4ccccc4C3)CC2)[nH+]c1 ZINC000012302603 204390372 /nfs/dbraw/zinc/39/03/72/204390372.db2.gz QHRZKSNJYZXWHY-UHFFFAOYSA-N 2 2 385.515 3.060 50 0 GGAALP O=C(NCc1cccnc1)C1CC[NH+](C2CC[NH+](Cc3ccsc3)CC2)CC1 ZINC000012303893 204393607 /nfs/dbraw/zinc/39/36/07/204393607.db2.gz NQVKLQCLEQUKHU-UHFFFAOYSA-N 2 2 398.576 3.136 50 0 GGAALP CC(C)[NH+]1CCC([N@@H+]2C[C@H]3OC(=O)N(CCc4cccc(Cl)c4)[C@H]3C2)CC1 ZINC000039532089 205042254 /nfs/dbraw/zinc/04/22/54/205042254.db2.gz WRLBQRYUXOOHMK-VQTJNVASSA-N 2 2 391.943 3.260 50 0 GGAALP CC(C)[NH+]1CCC([N@H+]2C[C@H]3OC(=O)N(CCc4cccc(Cl)c4)[C@H]3C2)CC1 ZINC000039532089 205042258 /nfs/dbraw/zinc/04/22/58/205042258.db2.gz WRLBQRYUXOOHMK-VQTJNVASSA-N 2 2 391.943 3.260 50 0 GGAALP Cc1[nH+]ccn1-c1cc(NCCNC(=O)Nc2cc(C)cc(C)c2)[nH+]c(C)n1 ZINC000065363274 205231946 /nfs/dbraw/zinc/23/19/46/205231946.db2.gz CXZHMJSGIBKIHD-UHFFFAOYSA-N 2 2 379.468 3.130 50 0 GGAALP O=C(NCc1ccccc1)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000067673809 205253617 /nfs/dbraw/zinc/25/36/17/205253617.db2.gz BZPYLAJBHIFOAT-OAQYLSRUSA-N 2 2 392.547 3.074 50 0 GGAALP O=C(NCc1ccccc1)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000067673809 205253619 /nfs/dbraw/zinc/25/36/19/205253619.db2.gz BZPYLAJBHIFOAT-OAQYLSRUSA-N 2 2 392.547 3.074 50 0 GGAALP C[N@@H+]1CCCNC(=O)C12CC[NH+](Cc1cccc(Oc3ccccc3)c1)CC2 ZINC000067675230 205254123 /nfs/dbraw/zinc/25/41/23/205254123.db2.gz 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BFZVDEYFWNMUQA-UHFFFAOYSA-N 2 2 382.556 3.440 50 0 GGAALP CCCc1cc(N2CCC([N@@H+](C)Cc3[nH]nc4c3CCCC4)CC2)nc(C)[nH+]1 ZINC000095498840 136179792 /nfs/dbraw/zinc/17/97/92/136179792.db2.gz BFZVDEYFWNMUQA-UHFFFAOYSA-N 2 2 382.556 3.440 50 0 GGAALP C[C@@H](c1ccc(-c2cc(N3CC[NH+](C)CC3)nc(N)[nH+]2)cc1)[NH+]1CCCCC1 ZINC000097766325 136188652 /nfs/dbraw/zinc/18/86/52/136188652.db2.gz XZMSHWUCWWBTAK-KRWDZBQOSA-N 3 2 380.540 3.025 50 0 GGAALP C[C@H](c1ccc(-c2cc(N3CC[NH+](C)CC3)nc(N)[nH+]2)cc1)[NH+]1CCCCC1 ZINC000097766327 136188693 /nfs/dbraw/zinc/18/86/93/136188693.db2.gz XZMSHWUCWWBTAK-QGZVFWFLSA-N 3 2 380.540 3.025 50 0 GGAALP Cc1noc(C)c1C[N@H+]1CCc2c(C(=O)NC[C@@H](C)n3cc[nH+]c3)csc2C1 ZINC000426379711 534360026 /nfs/dbraw/zinc/36/00/26/534360026.db2.gz LGIBDYCPRKHYKH-CYBMUJFWSA-N 2 2 399.520 3.099 50 0 GGAALP Cc1noc(C)c1C[N@@H+]1CCc2c(C(=O)NC[C@@H](C)n3cc[nH+]c3)csc2C1 ZINC000426379711 534360036 /nfs/dbraw/zinc/36/00/36/534360036.db2.gz LGIBDYCPRKHYKH-CYBMUJFWSA-N 2 2 399.520 3.099 50 0 GGAALP CCCCn1cc[nH+]c1C1CCN(c2ccc(C[NH+]3CCOCC3)cn2)CC1 ZINC000095512891 535154018 /nfs/dbraw/zinc/15/40/18/535154018.db2.gz FLYIJBLUANMSTG-UHFFFAOYSA-N 2 2 383.540 3.294 50 0 GGAALP C[NH+](C)Cc1ccc(N2CCC[C@@H](c3[nH+]ccn3Cc3cccnc3)C2)nc1 ZINC000091254861 536011913 /nfs/dbraw/zinc/01/19/13/536011913.db2.gz ONOBTPHHNTZAQT-HXUWFJFHSA-N 2 2 376.508 3.167 50 0 GGAALP C[NH+](C)Cc1ccc(N2CCC[C@@H](c3[nH+]ccn3Cc3ccncc3)C2)nc1 ZINC000091526688 536013745 /nfs/dbraw/zinc/01/37/45/536013745.db2.gz LXRBKYWBUCYOCC-HXUWFJFHSA-N 2 2 376.508 3.167 50 0 GGAALP CC[NH+]1CCN(C(=O)C2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000000819261 564181345 /nfs/dbraw/zinc/18/13/45/564181345.db2.gz PNTFQJSUTSSXNB-UHFFFAOYSA-N 2 2 384.351 3.370 50 0 GGAALP CCOc1ccccc1C[NH+]1CCC(c2nnc(C[NH+]3CCCC3)n2C)CC1 ZINC000096137754 570212252 /nfs/dbraw/zinc/21/22/52/570212252.db2.gz BNSDCFRGBMUVTE-UHFFFAOYSA-N 2 2 383.540 3.189 50 0 GGAALP CCn1c(C[NH+](C)C)nnc1C1CC[NH+](Cc2ccc(C)c(F)c2F)CC1 ZINC000096136187 570212276 /nfs/dbraw/zinc/21/22/76/570212276.db2.gz FWQVQHYLRFJQHU-UHFFFAOYSA-N 2 2 377.483 3.326 50 0 GGAALP CCn1c(Cn2cc[nH+]c2)nnc1C1CC[NH+](Cc2cccc(F)c2F)CC1 ZINC000096140334 570213097 /nfs/dbraw/zinc/21/30/97/570213097.db2.gz LSBLKTGGLWYUDZ-UHFFFAOYSA-N 2 2 386.450 3.201 50 0 GGAALP Cn1c(C[NH+](C)C)nnc1C1CC[NH+](Cc2nc(-c3ccccc3)cs2)CC1 ZINC000096150968 570215302 /nfs/dbraw/zinc/21/53/02/570215302.db2.gz BSSSNZYNFQAXNM-UHFFFAOYSA-N 2 2 396.564 3.380 50 0 GGAALP OC1(Cn2cc[nH+]c2)CC[NH+](Cc2ccc(OCc3ccccc3)cc2)CC1 ZINC000097805696 570256814 /nfs/dbraw/zinc/25/68/14/570256814.db2.gz PAJUULQPBAMWQV-UHFFFAOYSA-N 2 2 377.488 3.489 50 0 GGAALP Cc1c(C)n(CCc2ccccc2)c2nc[nH+]c(NCCC[NH+]3CCOCC3)c12 ZINC000020591275 570269236 /nfs/dbraw/zinc/26/92/36/570269236.db2.gz ZHVDUPQGWQTFOF-UHFFFAOYSA-N 2 2 393.535 3.425 50 0 GGAALP c1cnn(-c2cccc(N3CCC([NH2+]CCc4cn5ccccc5[nH+]4)CC3)c2)c1 ZINC000023367397 570357431 /nfs/dbraw/zinc/35/74/31/570357431.db2.gz VQDRPFWZENZEFL-UHFFFAOYSA-N 2 2 386.503 3.321 50 0 GGAALP c1[nH]c2ccccc2c1C[NH+]1CCC(n2cc(C[NH+]3CCSCC3)nn2)CC1 ZINC000023543292 570365266 /nfs/dbraw/zinc/36/52/66/570365266.db2.gz LOJIEDLCGHPIRC-UHFFFAOYSA-N 2 2 396.564 3.145 50 0 GGAALP O=c1[nH]c(-c2cccc(C[N@@H+]3CCC[C@@H]3Cn3cc[nH+]c3)c2)nc2c1CCCC2 ZINC000023580597 570365833 /nfs/dbraw/zinc/36/58/33/570365833.db2.gz RGOZMVJFMDRCSK-LJQANCHMSA-N 2 2 389.503 3.177 50 0 GGAALP O=c1[nH]c(-c2cccc(C[N@H+]3CCC[C@@H]3Cn3cc[nH+]c3)c2)nc2c1CCCC2 ZINC000023580597 570365835 /nfs/dbraw/zinc/36/58/35/570365835.db2.gz RGOZMVJFMDRCSK-LJQANCHMSA-N 2 2 389.503 3.177 50 0 GGAALP O=c1[nH]c(-c2cccc(C[N@@H+]3CCC[C@H]3Cn3cc[nH+]c3)c2)nc2c1CCCC2 ZINC000023580599 570365850 /nfs/dbraw/zinc/36/58/50/570365850.db2.gz RGOZMVJFMDRCSK-IBGZPJMESA-N 2 2 389.503 3.177 50 0 GGAALP O=c1[nH]c(-c2cccc(C[N@H+]3CCC[C@H]3Cn3cc[nH+]c3)c2)nc2c1CCCC2 ZINC000023580599 570365852 /nfs/dbraw/zinc/36/58/52/570365852.db2.gz RGOZMVJFMDRCSK-IBGZPJMESA-N 2 2 389.503 3.177 50 0 GGAALP Cc1cc(C[NH+]2CCC(C)CC2)c(C)c(C[N@@H+]2CCn3nc(CO)cc3C2)c1 ZINC000219739031 570374625 /nfs/dbraw/zinc/37/46/25/570374625.db2.gz DMDJIRATCUABOA-UHFFFAOYSA-N 2 2 382.552 3.240 50 0 GGAALP Cc1cc(C[NH+]2CCC(C)CC2)c(C)c(C[N@H+]2CCn3nc(CO)cc3C2)c1 ZINC000219739031 570374627 /nfs/dbraw/zinc/37/46/27/570374627.db2.gz DMDJIRATCUABOA-UHFFFAOYSA-N 2 2 382.552 3.240 50 0 GGAALP C[N@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)CCc2cn3ccccc3[nH+]2)C1 ZINC000011936453 570594016 /nfs/dbraw/zinc/59/40/16/570594016.db2.gz UCXBEGJWGFDOKY-NRFANRHFSA-N 2 2 376.504 3.390 50 0 GGAALP C[N@@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)CCc2cn3ccccc3[nH+]2)C1 ZINC000011936453 570594018 /nfs/dbraw/zinc/59/40/18/570594018.db2.gz UCXBEGJWGFDOKY-NRFANRHFSA-N 2 2 376.504 3.390 50 0 GGAALP C[N@H+](CCc1ccccc1)[C@@H]1CCCN(C(=O)CCc2cn3ccccc3[nH+]2)C1 ZINC000012446873 570666851 /nfs/dbraw/zinc/66/68/51/570666851.db2.gz FCHOPHDQSROZBX-JOCHJYFZSA-N 2 2 390.531 3.432 50 0 GGAALP C[N@@H+](CCc1ccccc1)[C@@H]1CCCN(C(=O)CCc2cn3ccccc3[nH+]2)C1 ZINC000012446873 570666855 /nfs/dbraw/zinc/66/68/55/570666855.db2.gz FCHOPHDQSROZBX-JOCHJYFZSA-N 2 2 390.531 3.432 50 0 GGAALP O=C(N[C@@H]1CCC[N@H+](CCc2ccccc2)C1)c1cnc(C[NH+]2CCCC2)s1 ZINC000012570612 570681100 /nfs/dbraw/zinc/68/11/00/570681100.db2.gz LLQARNXIKDNWRV-LJQANCHMSA-N 2 2 398.576 3.176 50 0 GGAALP O=C(N[C@@H]1CCC[N@@H+](CCc2ccccc2)C1)c1cnc(C[NH+]2CCCC2)s1 ZINC000012570612 570681104 /nfs/dbraw/zinc/68/11/04/570681104.db2.gz LLQARNXIKDNWRV-LJQANCHMSA-N 2 2 398.576 3.176 50 0 GGAALP CCOc1ccc(C[NH+]2CCC([N@@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)cc1 ZINC000012713603 570703425 /nfs/dbraw/zinc/70/34/25/570703425.db2.gz MDRPNYUAZOXWIS-IBGZPJMESA-N 2 2 385.552 3.040 50 0 GGAALP CCOc1ccc(C[NH+]2CCC([N@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)cc1 ZINC000012713603 570703427 /nfs/dbraw/zinc/70/34/27/570703427.db2.gz MDRPNYUAZOXWIS-IBGZPJMESA-N 2 2 385.552 3.040 50 0 GGAALP OC1CC[NH+]([C@@H]2CC[N@H+](Cc3cccc4c5ccccc5sc43)C[C@H]2O)CC1 ZINC000012750919 570709012 /nfs/dbraw/zinc/70/90/12/570709012.db2.gz QGZWQTUKNHUCLL-NHCUHLMSSA-N 2 2 396.556 3.446 50 0 GGAALP OC1CC[NH+]([C@@H]2CC[N@@H+](Cc3cccc4c5ccccc5sc43)C[C@H]2O)CC1 ZINC000012750919 570709013 /nfs/dbraw/zinc/70/90/13/570709013.db2.gz QGZWQTUKNHUCLL-NHCUHLMSSA-N 2 2 396.556 3.446 50 0 GGAALP O=C(NC1CC1)C1CC[NH+](C2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)CC1 ZINC000015073635 570877923 /nfs/dbraw/zinc/87/79/23/570877923.db2.gz OMWABKJHELMLCN-UHFFFAOYSA-N 2 2 380.536 3.123 50 0 GGAALP O=C(NCc1ccccn1)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000015073144 570877994 /nfs/dbraw/zinc/87/79/94/570877994.db2.gz FCVHYCPYBBOBTN-LJQANCHMSA-N 2 2 398.576 3.136 50 0 GGAALP O=C(NCc1ccccn1)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000015073144 570877998 /nfs/dbraw/zinc/87/79/98/570877998.db2.gz FCVHYCPYBBOBTN-LJQANCHMSA-N 2 2 398.576 3.136 50 0 GGAALP CCn1cc(C[N@H+](CCOC)C[C@@H]2CCC[NH+](C3Cc4ccccc4C3)C2)cn1 ZINC000015074556 570878335 /nfs/dbraw/zinc/87/83/35/570878335.db2.gz BWTVJSRSLXVGIB-FQEVSTJZSA-N 2 2 396.579 3.231 50 0 GGAALP CCn1cc(C[N@@H+](CCOC)C[C@@H]2CCC[NH+](C3Cc4ccccc4C3)C2)cn1 ZINC000015074556 570878336 /nfs/dbraw/zinc/87/83/36/570878336.db2.gz BWTVJSRSLXVGIB-FQEVSTJZSA-N 2 2 396.579 3.231 50 0 GGAALP CCn1cc(C[NH+](CCOC)C[C@@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)cn1 ZINC000015074556 570878337 /nfs/dbraw/zinc/87/83/37/570878337.db2.gz BWTVJSRSLXVGIB-FQEVSTJZSA-N 2 2 396.579 3.231 50 0 GGAALP CCn1cc(C[NH+](CCOC)C[C@@H]2CCC[N@H+](C3Cc4ccccc4C3)C2)cn1 ZINC000015074556 570878339 /nfs/dbraw/zinc/87/83/39/570878339.db2.gz BWTVJSRSLXVGIB-FQEVSTJZSA-N 2 2 396.579 3.231 50 0 GGAALP Cc1[nH+]ccn1C[C@@H](C)[NH+]1CCC2(CN(CCc3ccccc3)C(=O)O2)CC1 ZINC000072476882 570882372 /nfs/dbraw/zinc/88/23/72/570882372.db2.gz DSWUZADQTQMWMA-GOSISDBHSA-N 2 2 382.508 3.110 50 0 GGAALP Cc1c[nH]c(CN(C)C(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+]2CCCC2)[nH+]1 ZINC000534586385 570904759 /nfs/dbraw/zinc/90/47/59/570904759.db2.gz CDRCLXOSQVSFSH-KRWDZBQOSA-N 2 2 375.904 3.350 50 0 GGAALP O=C(NC1(C[NH+]2CCCCC2)CC1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000534656701 570916055 /nfs/dbraw/zinc/91/60/55/570916055.db2.gz WTWSKEJNPWHOPS-JXMROGBWSA-N 2 2 382.552 3.046 50 0 GGAALP COc1ccc(C[NH+]2CCC3(CCC(=O)N(CCc4c[nH+]c[nH]4)C3)CC2)cc1C ZINC000091350953 571003992 /nfs/dbraw/zinc/00/39/92/571003992.db2.gz XREHNFUQCJOHCL-UHFFFAOYSA-N 2 2 396.535 3.174 50 0 GGAALP COc1ccc(C[NH+]2CCC3(CCC(=O)N(CCc4c[nH]c[nH+]4)C3)CC2)cc1C ZINC000091350953 571003996 /nfs/dbraw/zinc/00/39/96/571003996.db2.gz XREHNFUQCJOHCL-UHFFFAOYSA-N 2 2 396.535 3.174 50 0 GGAALP COc1ccc(-c2cn3c4ccccc4n(CC[NH+]4CCOCC4)c3[nH+]2)cc1 ZINC000019558413 571004494 /nfs/dbraw/zinc/00/44/94/571004494.db2.gz YPWUWVZTUKTUMI-UHFFFAOYSA-N 2 2 376.460 3.297 50 0 GGAALP O=C1CCC2(CC[NH+](Cc3cccc(F)c3F)CC2)CN1CCc1c[nH+]c[nH]1 ZINC000091987430 571038892 /nfs/dbraw/zinc/03/88/92/571038892.db2.gz DFFVIFGZAMVSTQ-UHFFFAOYSA-N 2 2 388.462 3.135 50 0 GGAALP O=C1CCC2(CC[NH+](Cc3cccc(F)c3F)CC2)CN1CCc1c[nH]c[nH+]1 ZINC000091987430 571038894 /nfs/dbraw/zinc/03/88/94/571038894.db2.gz DFFVIFGZAMVSTQ-UHFFFAOYSA-N 2 2 388.462 3.135 50 0 GGAALP O=C(c1ccc(-n2cc[nH+]c2)cc1)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccn1)C2 ZINC000095363966 571057093 /nfs/dbraw/zinc/05/70/93/571057093.db2.gz SKFFYNCZNGIHBT-PGRDOPGGSA-N 2 2 387.487 3.004 50 0 GGAALP O=C(c1ccc(-n2cc[nH+]c2)cc1)N1C[C@H]2CC[C@@H]1C[N@@H+](Cc1ccccn1)C2 ZINC000095363966 571057096 /nfs/dbraw/zinc/05/70/96/571057096.db2.gz SKFFYNCZNGIHBT-PGRDOPGGSA-N 2 2 387.487 3.004 50 0 GGAALP COc1cccc(C)c1C(=O)N1CCC[C@@H](c2[nH+]ccn2CCC[NH+](C)C)C1 ZINC000095379326 571066431 /nfs/dbraw/zinc/06/64/31/571066431.db2.gz RVNHJPYVQRGBOK-GOSISDBHSA-N 2 2 384.524 3.172 50 0 GGAALP Cc1[nH+]c[nH]c1CN1C[C@H]2CC[C@H](C[N@H+]2Cc2cccc(Cn3cccn3)c2)C1 ZINC000095381208 571067606 /nfs/dbraw/zinc/06/76/06/571067606.db2.gz RGLJJHKJRFTYHR-FCHUYYIVSA-N 2 2 390.535 3.059 50 0 GGAALP Cc1[nH+]c[nH]c1CN1C[C@H]2CC[C@H](C[N@@H+]2Cc2cccc(Cn3cccn3)c2)C1 ZINC000095381208 571067608 /nfs/dbraw/zinc/06/76/08/571067608.db2.gz RGLJJHKJRFTYHR-FCHUYYIVSA-N 2 2 390.535 3.059 50 0 GGAALP C[NH+](C)CCCn1cc[nH+]c1C1CCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000095381894 571068174 /nfs/dbraw/zinc/06/81/74/571068174.db2.gz LAKZECNFZRBFFL-UHFFFAOYSA-N 2 2 376.451 3.133 50 0 GGAALP C[NH+](C)CCCn1cc[nH+]c1[C@H]1CCCN(C(=O)c2cc3ccccc3[nH]2)C1 ZINC000095498713 571075358 /nfs/dbraw/zinc/07/53/58/571075358.db2.gz RFBXYILOLZHHAJ-SFHVURJKSA-N 2 2 379.508 3.336 50 0 GGAALP C[NH+](C)CCn1cc[nH+]c1C1CCN(C(=O)c2ccc3ccccc3n2)CC1 ZINC000095502147 571076708 /nfs/dbraw/zinc/07/67/08/571076708.db2.gz VNJJSXWYIUQYCT-UHFFFAOYSA-N 2 2 377.492 3.013 50 0 GGAALP Cn1cc[nH+]c1[C@H]1CCCN(C(=O)CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000095507215 571079469 /nfs/dbraw/zinc/07/94/69/571079469.db2.gz MVEXSKJHPJJHKS-NRFANRHFSA-N 2 2 380.536 3.428 50 0 GGAALP COCCn1cc[nH+]c1C1CCN(C(=O)c2ccc([C@@H]3CCC[NH2+]3)s2)CC1 ZINC000095509983 571081608 /nfs/dbraw/zinc/08/16/08/571081608.db2.gz MKECRSWZUWFMPN-INIZCTEOSA-N 2 2 388.537 3.035 50 0 GGAALP Cc1ccccc1SCC(=O)N1CCC(c2[nH+]ccn2CC[NH+](C)C)CC1 ZINC000095509989 571081739 /nfs/dbraw/zinc/08/17/39/571081739.db2.gz XKCRTONUPYRQOX-UHFFFAOYSA-N 2 2 386.565 3.251 50 0 GGAALP COc1ccc(C(=O)N2CCC[C@@H](c3[nH+]ccn3CCC[NH+](C)C)C2)cc1C ZINC000095511073 571082109 /nfs/dbraw/zinc/08/21/09/571082109.db2.gz KENGRWNLFNSEFS-LJQANCHMSA-N 2 2 384.524 3.172 50 0 GGAALP COCC[N@@H+](Cc1ccncc1)C[C@@H]1CCC[NH+](C2Cc3ccccc3C2)C1 ZINC000095511136 571082179 /nfs/dbraw/zinc/08/21/79/571082179.db2.gz CLSYYERTPHMHPG-NRFANRHFSA-N 2 2 379.548 3.409 50 0 GGAALP COCC[N@H+](Cc1ccncc1)C[C@@H]1CCC[NH+](C2Cc3ccccc3C2)C1 ZINC000095511136 571082181 /nfs/dbraw/zinc/08/21/81/571082181.db2.gz CLSYYERTPHMHPG-NRFANRHFSA-N 2 2 379.548 3.409 50 0 GGAALP COCC[NH+](Cc1ccncc1)C[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000095511136 571082182 /nfs/dbraw/zinc/08/21/82/571082182.db2.gz CLSYYERTPHMHPG-NRFANRHFSA-N 2 2 379.548 3.409 50 0 GGAALP COCC[NH+](Cc1ccncc1)C[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000095511136 571082185 /nfs/dbraw/zinc/08/21/85/571082185.db2.gz CLSYYERTPHMHPG-NRFANRHFSA-N 2 2 379.548 3.409 50 0 GGAALP CCOc1cccc(C(=O)N2CCC[C@H](c3[nH+]ccn3CCC[NH+](C)C)C2)c1 ZINC000095521061 571086922 /nfs/dbraw/zinc/08/69/22/571086922.db2.gz UWWSXTGAQIBALD-IBGZPJMESA-N 2 2 384.524 3.253 50 0 GGAALP CC[C@@H](Cn1cc[nH+]c1)[NH2+]C1CCN(c2nnc(-c3ccccc3)s2)CC1 ZINC000095523599 571089116 /nfs/dbraw/zinc/08/91/16/571089116.db2.gz HDBBODYDWOGZHK-KRWDZBQOSA-N 2 2 382.537 3.439 50 0 GGAALP C[NH+]1CCC([N@@H+]2CCC[C@@H](NC(=O)CCCc3ccc(Cl)cc3)C2)CC1 ZINC000012573883 1399047328 /nfs/dbraw/zinc/04/73/28/1399047328.db2.gz LXKJDKSXQZQNKW-LJQANCHMSA-N 2 2 377.960 3.338 50 0 GGAALP C[NH+]1CCC([N@H+]2CCC[C@@H](NC(=O)CCCc3ccc(Cl)cc3)C2)CC1 ZINC000012573883 1399047333 /nfs/dbraw/zinc/04/73/33/1399047333.db2.gz LXKJDKSXQZQNKW-LJQANCHMSA-N 2 2 377.960 3.338 50 0 GGAALP C[NH+]1CCN(C(=O)CC[C@H]2CCC[N@H+](Cc3ccc(Cl)c(F)c3)C2)CC1 ZINC000012717863 1399055505 /nfs/dbraw/zinc/05/55/05/1399055505.db2.gz PMWAESIMQSLPFM-MRXNPFEDSA-N 2 2 381.923 3.245 50 0 GGAALP C[NH+]1CCN(C(=O)CC[C@H]2CCC[N@@H+](Cc3ccc(Cl)c(F)c3)C2)CC1 ZINC000012717863 1399055512 /nfs/dbraw/zinc/05/55/12/1399055512.db2.gz PMWAESIMQSLPFM-MRXNPFEDSA-N 2 2 381.923 3.245 50 0 GGAALP Cc1ccccc1-c1ccc(C[N@@H+]2CC[C@@H]([NH+]3CCC(O)CC3)[C@H](O)C2)cc1 ZINC000015066147 1399136134 /nfs/dbraw/zinc/13/61/34/1399136134.db2.gz HFEXNOKHAFUABC-DNQXCXABSA-N 2 2 380.532 3.054 50 0 GGAALP Cc1ccccc1-c1ccc(C[N@H+]2CC[C@@H]([NH+]3CCC(O)CC3)[C@H](O)C2)cc1 ZINC000015066147 1399136144 /nfs/dbraw/zinc/13/61/44/1399136144.db2.gz HFEXNOKHAFUABC-DNQXCXABSA-N 2 2 380.532 3.054 50 0 GGAALP COCCN(Cc1c[nH+]c(C)[nH]1)C[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000015079096 1399137494 /nfs/dbraw/zinc/13/74/94/1399137494.db2.gz VVZHKHWEHGYEFP-IBGZPJMESA-N 2 2 382.552 3.046 50 0 GGAALP COCCN(Cc1c[nH+]c(C)[nH]1)C[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000015079096 1399137497 /nfs/dbraw/zinc/13/74/97/1399137497.db2.gz VVZHKHWEHGYEFP-IBGZPJMESA-N 2 2 382.552 3.046 50 0 GGAALP Cc1cccc(-c2ncc(CN3CCC[C@H]([N@@H+](C)CCC[NH+](C)C)C3)cn2)c1 ZINC000019633746 1399333299 /nfs/dbraw/zinc/33/32/99/1399333299.db2.gz GCRDYFDJQTWLKJ-QFIPXVFZSA-N 2 2 381.568 3.300 50 0 GGAALP Cc1cccc(-c2ncc(CN3CCC[C@H]([N@H+](C)CCC[NH+](C)C)C3)cn2)c1 ZINC000019633746 1399333304 /nfs/dbraw/zinc/33/33/04/1399333304.db2.gz GCRDYFDJQTWLKJ-QFIPXVFZSA-N 2 2 381.568 3.300 50 0 GGAALP C[NH+]1CCC([NH+]2CCC(C[N@H+](Cc3ccncc3)Cc3ccccn3)CC2)CC1 ZINC000020208038 1399344616 /nfs/dbraw/zinc/34/46/16/1399344616.db2.gz BVFAUFIBLLMJQT-UHFFFAOYSA-N 3 2 393.579 3.285 50 0 GGAALP C[NH+]1CCC([NH+]2CCC(C[N@@H+](Cc3ccncc3)Cc3ccccn3)CC2)CC1 ZINC000020208038 1399344622 /nfs/dbraw/zinc/34/46/22/1399344622.db2.gz BVFAUFIBLLMJQT-UHFFFAOYSA-N 3 2 393.579 3.285 50 0 GGAALP Cc1ncc(C[NH+]2CCC3(CC2)c2ccccc2[C@@H](n2cc[nH+]c2)[C@@H]3O)s1 ZINC000020775027 1399353286 /nfs/dbraw/zinc/35/32/86/1399353286.db2.gz YXEARVNCHFGGJY-UXHICEINSA-N 2 2 380.517 3.146 50 0 GGAALP Cc1cc(F)ccc1C[N@@H+]1CCC[C@@]2(CCC(=O)N(CCc3c[nH]c[nH+]3)C2)C1 ZINC000091381401 1410073107 /nfs/dbraw/zinc/07/31/07/1410073107.db2.gz XQOUXHNUWWLKTA-JOCHJYFZSA-N 2 2 384.499 3.305 50 0 GGAALP Cc1cc(F)ccc1C[N@H+]1CCC[C@@]2(CCC(=O)N(CCc3c[nH]c[nH+]3)C2)C1 ZINC000091381401 1410073110 /nfs/dbraw/zinc/07/31/10/1410073110.db2.gz XQOUXHNUWWLKTA-JOCHJYFZSA-N 2 2 384.499 3.305 50 0 GGAALP Cc1cc(F)ccc1C[N@@H+]1CCC[C@@]2(CCC(=O)N(CCc3c[nH+]c[nH]3)C2)C1 ZINC000091381401 1410073116 /nfs/dbraw/zinc/07/31/16/1410073116.db2.gz XQOUXHNUWWLKTA-JOCHJYFZSA-N 2 2 384.499 3.305 50 0 GGAALP Cc1cc(F)ccc1C[N@H+]1CCC[C@@]2(CCC(=O)N(CCc3c[nH+]c[nH]3)C2)C1 ZINC000091381401 1410073120 /nfs/dbraw/zinc/07/31/20/1410073120.db2.gz XQOUXHNUWWLKTA-JOCHJYFZSA-N 2 2 384.499 3.305 50 0 GGAALP CCOc1ccccc1C[N@@H+]1CCC[C@H](c2nnc(C[NH+]3CCCC3)n2C)C1 ZINC000426431738 231220491 /nfs/dbraw/zinc/22/04/91/231220491.db2.gz FRCBBYUNXHLZDU-IBGZPJMESA-N 2 2 383.540 3.189 50 0 GGAALP CCOc1ccccc1C[N@H+]1CCC[C@H](c2nnc(C[NH+]3CCCC3)n2C)C1 ZINC000426431738 231220493 /nfs/dbraw/zinc/22/04/93/231220493.db2.gz FRCBBYUNXHLZDU-IBGZPJMESA-N 2 2 383.540 3.189 50 0 GGAALP Nc1ccc(-c2ccc(C(=O)NC3CC[NH+](Cc4ccco4)CC3)cc2)c[nH+]1 ZINC000426368380 231208022 /nfs/dbraw/zinc/20/80/22/231208022.db2.gz XKWDSUFCBHEPMD-UHFFFAOYSA-N 2 2 376.460 3.149 50 0 GGAALP COc1ccc(C[N@@H+]2CCC[C@@H](c3nnc(C[NH+]4CCCCC4)n3C)C2)cc1 ZINC000426397671 231213728 /nfs/dbraw/zinc/21/37/28/231213728.db2.gz YLMZYBDGAFDJJK-LJQANCHMSA-N 2 2 383.540 3.189 50 0 GGAALP COc1ccc(C[N@H+]2CCC[C@@H](c3nnc(C[NH+]4CCCCC4)n3C)C2)cc1 ZINC000426397671 231213730 /nfs/dbraw/zinc/21/37/30/231213730.db2.gz YLMZYBDGAFDJJK-LJQANCHMSA-N 2 2 383.540 3.189 50 0 GGAALP CCc1ccc(C[N@@H+]2CCc3c(C(=O)N4CC[C@@H]([NH+](C)C)C4)csc3C2)nc1 ZINC000426503640 529642851 /nfs/dbraw/zinc/64/28/51/529642851.db2.gz YTLFDPGAWPSWET-GOSISDBHSA-N 2 2 398.576 3.040 50 0 GGAALP CCc1ccc(C[N@H+]2CCc3c(C(=O)N4CC[C@@H]([NH+](C)C)C4)csc3C2)nc1 ZINC000426503640 529642855 /nfs/dbraw/zinc/64/28/55/529642855.db2.gz YTLFDPGAWPSWET-GOSISDBHSA-N 2 2 398.576 3.040 50 0 GGAALP CCc1ccc(C[N@@H+]2CCc3c(C(=O)N4CC[NH+](C)[C@H](C)C4)csc3C2)nc1 ZINC000426428262 529643608 /nfs/dbraw/zinc/64/36/08/529643608.db2.gz JCFAETQBPRAKGO-MRXNPFEDSA-N 2 2 398.576 3.040 50 0 GGAALP CCc1ccc(C[N@H+]2CCc3c(C(=O)N4CC[NH+](C)[C@H](C)C4)csc3C2)nc1 ZINC000426428262 529643609 /nfs/dbraw/zinc/64/36/09/529643609.db2.gz JCFAETQBPRAKGO-MRXNPFEDSA-N 2 2 398.576 3.040 50 0 GGAALP CCc1ccc(C[NH+]2CCc3c(C(=O)N4CC[N@H+](C)[C@H](C)C4)csc3C2)nc1 ZINC000426428262 529643612 /nfs/dbraw/zinc/64/36/12/529643612.db2.gz JCFAETQBPRAKGO-MRXNPFEDSA-N 2 2 398.576 3.040 50 0 GGAALP CCc1ccc(C[NH+]2CCc3c(C(=O)N4CC[N@@H+](C)[C@H](C)C4)csc3C2)nc1 ZINC000426428262 529643613 /nfs/dbraw/zinc/64/36/13/529643613.db2.gz JCFAETQBPRAKGO-MRXNPFEDSA-N 2 2 398.576 3.040 50 0 GGAALP CCc1ccc(C[N@@H+]2CCc3c(C(=O)N4CCC[C@@H]([NH3+])CC4)csc3C2)nc1 ZINC000426378011 529643730 /nfs/dbraw/zinc/64/37/30/529643730.db2.gz OVODHTWQJZNAIQ-QGZVFWFLSA-N 2 2 398.576 3.217 50 0 GGAALP CCc1ccc(C[N@H+]2CCc3c(C(=O)N4CCC[C@@H]([NH3+])CC4)csc3C2)nc1 ZINC000426378011 529643732 /nfs/dbraw/zinc/64/37/32/529643732.db2.gz OVODHTWQJZNAIQ-QGZVFWFLSA-N 2 2 398.576 3.217 50 0 GGAALP CC[NH+](CC)CCn1c2ccccc2n(C[C@H](O)COc2cccc(C)c2)c1=[NH2+] ZINC000001242628 206370838 /nfs/dbraw/zinc/37/08/38/206370838.db2.gz IJGSXXQMYBXCHB-IBGZPJMESA-N 2 2 396.535 3.012 50 0 GGAALP C/C(=C\c1ccco1)C[NH+]1CCC([NH+]2CCC(C(=O)N3CCCC3)CC2)CC1 ZINC000014965726 207035565 /nfs/dbraw/zinc/03/55/65/207035565.db2.gz BPSLSVRVOKVMNR-HTXNQAPBSA-N 2 2 385.552 3.482 50 0 GGAALP CC[NH+](CC)CCn1c2ccccc2n(CCOc2ccc(OC)cc2)c1=[NH2+] ZINC000020069487 207175976 /nfs/dbraw/zinc/17/59/76/207175976.db2.gz OSAMZMKWGPONSD-UHFFFAOYSA-N 2 2 382.508 3.352 50 0 GGAALP O=C(NCCCn1cc[nH+]c1)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000020100585 207177436 /nfs/dbraw/zinc/17/74/36/207177436.db2.gz JPVIEQRFNHVZFF-UHFFFAOYSA-N 2 2 378.879 3.094 50 0 GGAALP O=C(CC[C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000020538902 207201661 /nfs/dbraw/zinc/20/16/61/207201661.db2.gz VWTRYPIDEXTHEY-JOCHJYFZSA-N 2 2 392.547 3.423 50 0 GGAALP O=C(CC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000020538902 207201663 /nfs/dbraw/zinc/20/16/63/207201663.db2.gz VWTRYPIDEXTHEY-JOCHJYFZSA-N 2 2 392.547 3.423 50 0 GGAALP CC(C)c1csc(C[N@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)n1 ZINC000020543030 207203013 /nfs/dbraw/zinc/20/30/13/207203013.db2.gz HVHWVSYULVLTNU-IBGZPJMESA-N 2 2 394.629 3.008 50 0 GGAALP CC(C)c1csc(C[N@@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)n1 ZINC000020543030 207203016 /nfs/dbraw/zinc/20/30/16/207203016.db2.gz HVHWVSYULVLTNU-IBGZPJMESA-N 2 2 394.629 3.008 50 0 GGAALP COc1ccc(-n2c(C)c(C)c3c2nc[nH+]c3NCCC[NH+]2CCOCC2)cc1 ZINC000020546943 207203086 /nfs/dbraw/zinc/20/30/86/207203086.db2.gz BUWDOZUKKFZEDV-UHFFFAOYSA-N 2 2 395.507 3.180 50 0 GGAALP Cc1[nH+]ccn1[C@H](C)C(=O)NCc1ccc[nH+]c1N1CCc2ccccc2C1 ZINC000020913921 207219603 /nfs/dbraw/zinc/21/96/03/207219603.db2.gz FHMAIPUUTFKOTJ-MRXNPFEDSA-N 2 2 375.476 3.027 50 0 GGAALP CC(C)[NH+]1CCC(N2CC[N@H+](Cc3cccc(Cl)c3)C[C@@H]2CCO)CC1 ZINC000023373800 207276531 /nfs/dbraw/zinc/27/65/31/207276531.db2.gz JJSYPDJFZLCAIU-NRFANRHFSA-N 2 2 379.976 3.081 50 0 GGAALP CC(C)[NH+]1CCC(N2CC[N@@H+](Cc3cccc(Cl)c3)C[C@@H]2CCO)CC1 ZINC000023373800 207276535 /nfs/dbraw/zinc/27/65/35/207276535.db2.gz JJSYPDJFZLCAIU-NRFANRHFSA-N 2 2 379.976 3.081 50 0 GGAALP CC(C)[NH+]1CCC([N@@H+]2CCN(Cc3cccc(Cl)c3)C[C@@H]2CCO)CC1 ZINC000023373800 207276536 /nfs/dbraw/zinc/27/65/36/207276536.db2.gz JJSYPDJFZLCAIU-NRFANRHFSA-N 2 2 379.976 3.081 50 0 GGAALP CC(C)[NH+]1CCC([N@H+]2CCN(Cc3cccc(Cl)c3)C[C@@H]2CCO)CC1 ZINC000023373800 207276540 /nfs/dbraw/zinc/27/65/40/207276540.db2.gz JJSYPDJFZLCAIU-NRFANRHFSA-N 2 2 379.976 3.081 50 0 GGAALP COCC[N@@H+]1CCC[C@@]2(CC[NH+](Cc3c(C)nc4ccc(Cl)cn43)C2)C1 ZINC000012306388 207287089 /nfs/dbraw/zinc/28/70/89/207287089.db2.gz QKBXNNLXYRSJBR-HXUWFJFHSA-N 2 2 376.932 3.230 50 0 GGAALP COCC[N@H+]1CCC[C@@]2(CC[NH+](Cc3c(C)nc4ccc(Cl)cn43)C2)C1 ZINC000012306388 207287094 /nfs/dbraw/zinc/28/70/94/207287094.db2.gz QKBXNNLXYRSJBR-HXUWFJFHSA-N 2 2 376.932 3.230 50 0 GGAALP COCC[NH+]1CCC[C@@]2(CC[N@H+](Cc3c(C)nc4ccc(Cl)cn43)C2)C1 ZINC000012306388 207287096 /nfs/dbraw/zinc/28/70/96/207287096.db2.gz QKBXNNLXYRSJBR-HXUWFJFHSA-N 2 2 376.932 3.230 50 0 GGAALP COCC[NH+]1CCC[C@@]2(CC[N@@H+](Cc3c(C)nc4ccc(Cl)cn43)C2)C1 ZINC000012306388 207287099 /nfs/dbraw/zinc/28/70/99/207287099.db2.gz QKBXNNLXYRSJBR-HXUWFJFHSA-N 2 2 376.932 3.230 50 0 GGAALP COCC[N@@H+]1CCC[C@@]2(CCN(Cc3c(C)[nH+]c4ccc(Cl)cn43)C2)C1 ZINC000012306388 207287103 /nfs/dbraw/zinc/28/71/03/207287103.db2.gz QKBXNNLXYRSJBR-HXUWFJFHSA-N 2 2 376.932 3.230 50 0 GGAALP COCC[N@H+]1CCC[C@@]2(CCN(Cc3c(C)[nH+]c4ccc(Cl)cn43)C2)C1 ZINC000012306388 207287104 /nfs/dbraw/zinc/28/71/04/207287104.db2.gz QKBXNNLXYRSJBR-HXUWFJFHSA-N 2 2 376.932 3.230 50 0 GGAALP CC[N@H+](C)[C@@H]1c2ccccc2C2(CCN(c3[nH]c4ccccc4[nH+]3)CC2)[C@H]1O ZINC000023543893 207280067 /nfs/dbraw/zinc/28/00/67/207280067.db2.gz VVKWGOYMHKTTAI-RTWAWAEBSA-N 2 2 376.504 3.468 50 0 GGAALP CC[N@@H+](C)[C@@H]1c2ccccc2C2(CCN(c3[nH]c4ccccc4[nH+]3)CC2)[C@H]1O ZINC000023543893 207280073 /nfs/dbraw/zinc/28/00/73/207280073.db2.gz VVKWGOYMHKTTAI-RTWAWAEBSA-N 2 2 376.504 3.468 50 0 GGAALP Cc1[nH+]ccn1-c1cc(NCCNC(=O)c2ccc(C(C)(C)C)cc2)[nH+]cn1 ZINC000072434120 208024319 /nfs/dbraw/zinc/02/43/19/208024319.db2.gz SYPPMFOGULKSMQ-UHFFFAOYSA-N 2 2 378.480 3.110 50 0 GGAALP Cc1[nH+]cn(-c2cc(NCCNC(=O)Nc3ccc(C)cc3C)[nH+]cn2)c1C ZINC000072437220 208026750 /nfs/dbraw/zinc/02/67/50/208026750.db2.gz SGJNAWCTUBEBFV-UHFFFAOYSA-N 2 2 379.468 3.130 50 0 GGAALP CC1CCN(C(=O)[C@H]2CCC[N@@H+](C3CC[NH+](Cc4ccncc4)CC3)C2)CC1 ZINC000082092234 208076855 /nfs/dbraw/zinc/07/68/55/208076855.db2.gz RWOXRUQGIHZJMD-NRFANRHFSA-N 2 2 384.568 3.017 50 0 GGAALP CC1CCN(C(=O)[C@H]2CCC[N@H+](C3CC[NH+](Cc4ccncc4)CC3)C2)CC1 ZINC000082092234 208076859 /nfs/dbraw/zinc/07/68/59/208076859.db2.gz RWOXRUQGIHZJMD-NRFANRHFSA-N 2 2 384.568 3.017 50 0 GGAALP CC1CCN(C(=O)[C@@H]2CCC[N@@H+](C3CC[NH+](Cc4ccncc4)CC3)C2)CC1 ZINC000082092232 208078044 /nfs/dbraw/zinc/07/80/44/208078044.db2.gz RWOXRUQGIHZJMD-OAQYLSRUSA-N 2 2 384.568 3.017 50 0 GGAALP CC1CCN(C(=O)[C@@H]2CCC[N@H+](C3CC[NH+](Cc4ccncc4)CC3)C2)CC1 ZINC000082092232 208078050 /nfs/dbraw/zinc/07/80/50/208078050.db2.gz RWOXRUQGIHZJMD-OAQYLSRUSA-N 2 2 384.568 3.017 50 0 GGAALP CN(CC(C)(C)C)C(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000082121707 208079154 /nfs/dbraw/zinc/07/91/54/208079154.db2.gz AXQKDOYZZVOGRS-HXUWFJFHSA-N 2 2 386.584 3.263 50 0 GGAALP CN(CC(C)(C)C)C(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000082121707 208079159 /nfs/dbraw/zinc/07/91/59/208079159.db2.gz AXQKDOYZZVOGRS-HXUWFJFHSA-N 2 2 386.584 3.263 50 0 GGAALP CC1(C)CCCN1C(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000082106691 208080077 /nfs/dbraw/zinc/08/00/77/208080077.db2.gz YDJGOTUGNIFRCP-FQEVSTJZSA-N 2 2 384.568 3.159 50 0 GGAALP CC1(C)CCCN1C(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000082106691 208080083 /nfs/dbraw/zinc/08/00/83/208080083.db2.gz YDJGOTUGNIFRCP-FQEVSTJZSA-N 2 2 384.568 3.159 50 0 GGAALP CCCC1(NC(=O)[C@H]2CCC[N@@H+](C3CC[NH+](Cc4ccncc4)CC3)C2)CC1 ZINC000082121061 208080677 /nfs/dbraw/zinc/08/06/77/208080677.db2.gz FXXSZYOMBMPFMZ-FQEVSTJZSA-N 2 2 384.568 3.207 50 0 GGAALP CCCC1(NC(=O)[C@H]2CCC[N@H+](C3CC[NH+](Cc4ccncc4)CC3)C2)CC1 ZINC000082121061 208080686 /nfs/dbraw/zinc/08/06/86/208080686.db2.gz FXXSZYOMBMPFMZ-FQEVSTJZSA-N 2 2 384.568 3.207 50 0 GGAALP O=C([C@@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1)N1CCCCC12CC2 ZINC000082121179 208080818 /nfs/dbraw/zinc/08/08/18/208080818.db2.gz ZWJFPNSPANMJMX-OAQYLSRUSA-N 2 2 396.579 3.303 50 0 GGAALP O=C([C@@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1)N1CCCCC12CC2 ZINC000082121179 208080823 /nfs/dbraw/zinc/08/08/23/208080823.db2.gz ZWJFPNSPANMJMX-OAQYLSRUSA-N 2 2 396.579 3.303 50 0 GGAALP O=C(NCC1=CCCCC1)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000082139177 208081549 /nfs/dbraw/zinc/08/15/49/208081549.db2.gz MBDFXGATXUDIFN-QFIPXVFZSA-N 2 2 396.579 3.375 50 0 GGAALP O=C(NCC1=CCCCC1)[C@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000082139177 208081554 /nfs/dbraw/zinc/08/15/54/208081554.db2.gz MBDFXGATXUDIFN-QFIPXVFZSA-N 2 2 396.579 3.375 50 0 GGAALP Cc1[nH+]cn(-c2cc(NCCNC(=O)c3ccccc3Cl)[nH+]c(C)n2)c1C ZINC000082230399 208084716 /nfs/dbraw/zinc/08/47/16/208084716.db2.gz RPZSXKZNCMGIKH-UHFFFAOYSA-N 2 2 384.871 3.083 50 0 GGAALP Cc1[nH+]ccn1-c1cc(NCCNC(=O)c2ccc(-c3ccccc3)cc2)[nH+]cn1 ZINC000082230313 208085333 /nfs/dbraw/zinc/08/53/33/208085333.db2.gz PJOMHMNAFUIDRO-UHFFFAOYSA-N 2 2 398.470 3.480 50 0 GGAALP OC[C@@H]1C[C@H](C[NH+]2CCOCC2)C[N@H+](Cc2ccc(C3CCCC3)s2)C1 ZINC000091626415 208128409 /nfs/dbraw/zinc/12/84/09/208128409.db2.gz JQYHIUNIFMBBKX-QZTJIDSGSA-N 2 2 378.582 3.168 50 0 GGAALP OC[C@@H]1C[C@H](C[NH+]2CCOCC2)C[N@@H+](Cc2ccc(C3CCCC3)s2)C1 ZINC000091626415 208128414 /nfs/dbraw/zinc/12/84/14/208128414.db2.gz JQYHIUNIFMBBKX-QZTJIDSGSA-N 2 2 378.582 3.168 50 0 GGAALP Cc1ccccc1-c1cccc(C[N@@H+]2C[C@H](CO)[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000091636278 208129936 /nfs/dbraw/zinc/12/99/36/208129936.db2.gz WGKXFUBMBXAAKS-DHIUTWEWSA-N 2 2 380.532 3.035 50 0 GGAALP Cc1ccccc1-c1cccc(C[N@H+]2C[C@H](CO)[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000091636278 208129942 /nfs/dbraw/zinc/12/99/42/208129942.db2.gz WGKXFUBMBXAAKS-DHIUTWEWSA-N 2 2 380.532 3.035 50 0 GGAALP CCc1ccc(C[NH+]2CCC3(CCC(=O)N(CCCn4cc[nH+]c4)C3)CC2)nc1 ZINC000091724360 208136622 /nfs/dbraw/zinc/13/66/22/208136622.db2.gz PEYBMRVQHDYPIV-UHFFFAOYSA-N 2 2 395.551 3.135 50 0 GGAALP CC(C)[NH+]1CCC(N2C[C@@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CC[NH+]3CC2)CC1 ZINC000095362052 208160252 /nfs/dbraw/zinc/16/02/52/208160252.db2.gz CNMJFOIVCFOAHA-TUACAJSNSA-N 2 2 397.563 3.150 50 0 GGAALP C[NH+](C)CCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2ccc(F)cc2F)C1 ZINC000095368997 208165853 /nfs/dbraw/zinc/16/58/53/208165853.db2.gz LRINSXUXQCFRSZ-OAHLLOKOSA-N 2 2 376.451 3.133 50 0 GGAALP Cc1[nH+]c[nH]c1CN1C[C@H]2CC[C@H](C[N@H+]2Cc2cc(-c3ccccc3)no2)C1 ZINC000095383345 208173819 /nfs/dbraw/zinc/17/38/19/208173819.db2.gz SQUQMXSDKDXTMI-PKOBYXMFSA-N 2 2 377.492 3.470 50 0 GGAALP Cc1[nH+]c[nH]c1CN1C[C@H]2CC[C@H](C[N@@H+]2Cc2cc(-c3ccccc3)no2)C1 ZINC000095383345 208173825 /nfs/dbraw/zinc/17/38/25/208173825.db2.gz SQUQMXSDKDXTMI-PKOBYXMFSA-N 2 2 377.492 3.470 50 0 GGAALP O=C(c1cccc([C@@H]2CCC[NH2+]C2)c1)N1CC[NH+](Cc2ccccc2F)CC1 ZINC000095386185 208175352 /nfs/dbraw/zinc/17/53/52/208175352.db2.gz UQGUGASORMEPHV-HXUWFJFHSA-N 2 2 381.495 3.251 50 0 GGAALP Cc1ccc(C[N@H+]2CCC[C@H](c3nnc(Cn4cc[nH+]c4)n3C)C2)c(F)c1F ZINC000095356229 208156716 /nfs/dbraw/zinc/15/67/16/208156716.db2.gz FAQQBWFTOCXGPQ-INIZCTEOSA-N 2 2 386.450 3.026 50 0 GGAALP Cc1ccc(C[N@@H+]2CCC[C@H](c3nnc(Cn4cc[nH+]c4)n3C)C2)c(F)c1F ZINC000095356229 208156722 /nfs/dbraw/zinc/15/67/22/208156722.db2.gz FAQQBWFTOCXGPQ-INIZCTEOSA-N 2 2 386.450 3.026 50 0 GGAALP C[NH+](C)CCCn1cc[nH+]c1[C@H]1CCCN(C(=O)c2cc3sccc3[nH]2)C1 ZINC000095506754 208208278 /nfs/dbraw/zinc/20/82/78/208208278.db2.gz OGBNNWBGGPXVBX-HNNXBMFYSA-N 2 2 385.537 3.397 50 0 GGAALP CSc1ccc(C[N@@H+]2CCC[C@H](c3nnc(Cn4cc[nH+]c4)n3C)C2)cc1 ZINC000095390263 208176066 /nfs/dbraw/zinc/17/60/66/208176066.db2.gz LKCCQTDSTBXKSW-KRWDZBQOSA-N 2 2 382.537 3.161 50 0 GGAALP CSc1ccc(C[N@H+]2CCC[C@H](c3nnc(Cn4cc[nH+]c4)n3C)C2)cc1 ZINC000095390263 208176070 /nfs/dbraw/zinc/17/60/70/208176070.db2.gz LKCCQTDSTBXKSW-KRWDZBQOSA-N 2 2 382.537 3.161 50 0 GGAALP O=C(c1ccccc1-c1[nH]cc[nH+]1)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1cccnc1)C2 ZINC000095387826 208176265 /nfs/dbraw/zinc/17/62/65/208176265.db2.gz NHIHBGCUECHXJT-RBUKOAKNSA-N 2 2 387.487 3.208 50 0 GGAALP O=C(c1ccccc1-c1[nH]cc[nH+]1)N1C[C@H]2CC[C@@H]1C[N@@H+](Cc1cccnc1)C2 ZINC000095387826 208176267 /nfs/dbraw/zinc/17/62/67/208176267.db2.gz NHIHBGCUECHXJT-RBUKOAKNSA-N 2 2 387.487 3.208 50 0 GGAALP COc1ccc(C(=O)N2CCC[C@H](c3[nH+]ccn3CCC[NH+](C)C)C2)c(C)c1 ZINC000095497294 208197145 /nfs/dbraw/zinc/19/71/45/208197145.db2.gz VLPLRMVRZZZUHM-SFHVURJKSA-N 2 2 384.524 3.172 50 0 GGAALP Cc1nc(C[N@H+](C)CC2CC[NH+](CCc3ccc(Cl)cc3)CC2)n(C)n1 ZINC000095504800 208203858 /nfs/dbraw/zinc/20/38/58/208203858.db2.gz ZPLZHXKSBFVSID-UHFFFAOYSA-N 2 2 375.948 3.163 50 0 GGAALP Cc1nc(C[N@@H+](C)CC2CC[NH+](CCc3ccc(Cl)cc3)CC2)n(C)n1 ZINC000095504800 208203862 /nfs/dbraw/zinc/20/38/62/208203862.db2.gz ZPLZHXKSBFVSID-UHFFFAOYSA-N 2 2 375.948 3.163 50 0 GGAALP C[NH+](C)CCCn1cc[nH+]c1[C@H]1CCCN(C(=O)NCc2ccccc2F)C1 ZINC000095513000 208214147 /nfs/dbraw/zinc/21/41/47/208214147.db2.gz VCDXKCAHHFKKPX-SFHVURJKSA-N 2 2 387.503 3.063 50 0 GGAALP CCOc1cccc(C(=O)N2CCC[C@@H](c3[nH+]ccn3CCC[NH+](C)C)C2)c1 ZINC000095521062 208220449 /nfs/dbraw/zinc/22/04/49/208220449.db2.gz UWWSXTGAQIBALD-LJQANCHMSA-N 2 2 384.524 3.253 50 0 GGAALP CC(C)CN1CCc2[nH+]c[nH]c2C12CC[NH+](Cc1ccc3c(c1)OCO3)CC2 ZINC000095527000 208227936 /nfs/dbraw/zinc/22/79/36/208227936.db2.gz CWANITXFXDBJHN-UHFFFAOYSA-N 2 2 382.508 3.144 50 0 GGAALP O=C(NC[C@@H](c1cccnc1)[NH+]1CCCCC1)c1ccccc1-c1[nH]cc[nH+]1 ZINC000097307489 208342880 /nfs/dbraw/zinc/34/28/80/208342880.db2.gz DVZBABPNCAZQRP-FQEVSTJZSA-N 2 2 375.476 3.429 50 0 GGAALP Cc1cccn2c(CC(=O)NCC[N@@H+]3CCC[C@@H](c4ccccc4)C3)c[nH+]c12 ZINC000097288773 208343754 /nfs/dbraw/zinc/34/37/54/208343754.db2.gz YVIMFLKOHWMNOJ-HXUWFJFHSA-N 2 2 376.504 3.181 50 0 GGAALP Cc1cccn2c(CC(=O)NCC[N@H+]3CCC[C@@H](c4ccccc4)C3)c[nH+]c12 ZINC000097288773 208343758 /nfs/dbraw/zinc/34/37/58/208343758.db2.gz YVIMFLKOHWMNOJ-HXUWFJFHSA-N 2 2 376.504 3.181 50 0 GGAALP CCc1[nH]c2ccc(NC(=O)N[C@@H]3CCC[N@H+](Cc4cccnc4)C3)cc2[nH+]1 ZINC000097288897 208344136 /nfs/dbraw/zinc/34/41/36/208344136.db2.gz BAMSECGSHNVLQT-QGZVFWFLSA-N 2 2 378.480 3.306 50 0 GGAALP CCc1[nH]c2ccc(NC(=O)N[C@@H]3CCC[N@@H+](Cc4cccnc4)C3)cc2[nH+]1 ZINC000097288897 208344144 /nfs/dbraw/zinc/34/41/44/208344144.db2.gz BAMSECGSHNVLQT-QGZVFWFLSA-N 2 2 378.480 3.306 50 0 GGAALP O=C(CCc1cn2ccccc2[nH+]1)NC[C@H](c1cccnc1)[NH+]1CCCCC1 ZINC000097436764 208355146 /nfs/dbraw/zinc/35/51/46/208355146.db2.gz YYPPBIYUQPPTLF-HXUWFJFHSA-N 2 2 377.492 3.005 50 0 GGAALP c1cn(Cc2ccc(N3CCC(c4nnc5n4CCCCC5)CC3)[nH+]c2)c[nH+]1 ZINC000082097316 136173458 /nfs/dbraw/zinc/17/34/58/136173458.db2.gz SNMDGCQOBKTYHA-UHFFFAOYSA-N 2 2 377.496 3.028 50 0 GGAALP Cc1ccc2[nH+]ccc(N3CCC[C@H](c4nnc(Cn5cc[nH+]c5)n4C)C3)c2c1 ZINC000095385042 136178702 /nfs/dbraw/zinc/17/87/02/136178702.db2.gz DXJBBZBKAUMPGC-KRWDZBQOSA-N 2 2 387.491 3.301 50 0 GGAALP Cc1cccc2cc(CO)c(N3CCC[C@H](c4[nH+]ccn4CC[NH+](C)C)C3)nc12 ZINC000095526879 136181599 /nfs/dbraw/zinc/18/15/99/136181599.db2.gz RHGICLLQXQUPQI-IBGZPJMESA-N 2 2 393.535 3.178 50 0 GGAALP CCCc1cc(N2CCC([N@@H+]3CC[C@@H](n4nc(C)cc4C)C3)CC2)nc(C)[nH+]1 ZINC000096160106 136184653 /nfs/dbraw/zinc/18/46/53/136184653.db2.gz YWUJHPZXBJGSRT-OAQYLSRUSA-N 2 2 382.556 3.467 50 0 GGAALP CCCc1cc(N2CCC([N@H+]3CC[C@@H](n4nc(C)cc4C)C3)CC2)nc(C)[nH+]1 ZINC000096160106 136184654 /nfs/dbraw/zinc/18/46/54/136184654.db2.gz YWUJHPZXBJGSRT-OAQYLSRUSA-N 2 2 382.556 3.467 50 0 GGAALP O=c1occ(C[NH+]2CCN(c3ccccc3)CC2)c(O)c1C[NH+]1CCCCCC1 ZINC000101411855 136189794 /nfs/dbraw/zinc/18/97/94/136189794.db2.gz TZKALJOCJXPTJJ-UHFFFAOYSA-N 2 2 397.519 3.044 50 0 GGAALP O=C([C@@H]1CC12CC[NH+](CC1CC1)CC2)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000299759523 209081940 /nfs/dbraw/zinc/08/19/40/209081940.db2.gz UAFFQUZNZULPMR-ILHLOOHCSA-N 2 2 393.575 3.356 50 0 GGAALP Cc1ccc(-c2cccc(C(=O)N3CCC[C@@H](Cn4cc[nH+]c4)C3)c2)c(N)[nH+]1 ZINC000426544274 534187647 /nfs/dbraw/zinc/18/76/47/534187647.db2.gz CWKUDJPZRBUYSL-KRWDZBQOSA-N 2 2 375.476 3.388 50 0 GGAALP CC(C)(C)NC(=O)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1cccc(F)c1F)C2 ZINC000426475425 526306406 /nfs/dbraw/zinc/30/64/06/526306406.db2.gz LXOYXTHHJWQUAW-NRFANRHFSA-N 2 2 379.495 3.167 50 0 GGAALP CC(C)(C)NC(=O)C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1cccc(F)c1F)C2 ZINC000426475425 526306411 /nfs/dbraw/zinc/30/64/11/526306411.db2.gz LXOYXTHHJWQUAW-NRFANRHFSA-N 2 2 379.495 3.167 50 0 GGAALP CC(C)(C)NC(=O)C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1cccc(F)c1F)C2 ZINC000426475425 526306414 /nfs/dbraw/zinc/30/64/14/526306414.db2.gz LXOYXTHHJWQUAW-NRFANRHFSA-N 2 2 379.495 3.167 50 0 GGAALP CC(C)(C)NC(=O)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1cccc(F)c1F)C2 ZINC000426475425 526306421 /nfs/dbraw/zinc/30/64/21/526306421.db2.gz LXOYXTHHJWQUAW-NRFANRHFSA-N 2 2 379.495 3.167 50 0 GGAALP CCCc1c[nH+]c(C)nc1N1CCC([NH2+]CCc2nc3ccccc3[nH]2)CC1 ZINC000095510863 535436350 /nfs/dbraw/zinc/43/63/50/535436350.db2.gz VLVPMXROSJHHHB-UHFFFAOYSA-N 2 2 378.524 3.415 50 0 GGAALP CCc1cc(N2CCC([NH+]3CCN(Cc4cccs4)CC3)CC2)nc(C)[nH+]1 ZINC000095521582 536145459 /nfs/dbraw/zinc/14/54/59/536145459.db2.gz OKFLTKMOZURXQF-UHFFFAOYSA-N 2 2 385.581 3.196 50 0 GGAALP CCc1cc(N2CCC(N3CC[NH+](Cc4cccs4)CC3)CC2)nc(C)[nH+]1 ZINC000095521582 536145462 /nfs/dbraw/zinc/14/54/62/536145462.db2.gz OKFLTKMOZURXQF-UHFFFAOYSA-N 2 2 385.581 3.196 50 0 GGAALP Cc1cc(C)c(CNC(=O)N2CC[NH+]([C@H]3CCc4ccccc4C3)CC2)c[nH+]1 ZINC000584901223 570270855 /nfs/dbraw/zinc/27/08/55/570270855.db2.gz SHPUKYMPSVQRHC-QFIPXVFZSA-N 2 2 378.520 3.083 50 0 GGAALP COc1ccccc1N1CC[NH+](C2CC[NH+](C[C@H]3C[C@@H]4C=C[C@H]3C4)CC2)CC1 ZINC000004140871 570359469 /nfs/dbraw/zinc/35/94/69/570359469.db2.gz YDPTYMYWKPPRFW-QHAWAJNXSA-N 2 2 381.564 3.494 50 0 GGAALP O=C1CC[C@H](CC[NH2+]Cc2cccc(C(F)(F)F)c2)N1CCCn1cc[nH+]c1 ZINC000011785028 570582501 /nfs/dbraw/zinc/58/25/01/570582501.db2.gz QACZAKUXQMCJGL-GOSISDBHSA-N 2 2 394.441 3.463 50 0 GGAALP CCC[NH+]1CCC([N@@H+]2C[C@H]3OC(=O)N(CCc4cccc(Cl)c4)[C@H]3C2)CC1 ZINC000011878242 570589826 /nfs/dbraw/zinc/58/98/26/570589826.db2.gz AFBJDAVKLPFFLU-VQTJNVASSA-N 2 2 391.943 3.262 50 0 GGAALP CCC[NH+]1CCC([N@H+]2C[C@H]3OC(=O)N(CCc4cccc(Cl)c4)[C@H]3C2)CC1 ZINC000011878242 570589829 /nfs/dbraw/zinc/58/98/29/570589829.db2.gz AFBJDAVKLPFFLU-VQTJNVASSA-N 2 2 391.943 3.262 50 0 GGAALP O=C(NC1CC1)[C@H]1CCC[N@@H+](C2CC[NH+](C/C=C/c3ccc(F)cc3)CC2)C1 ZINC000011879371 570591312 /nfs/dbraw/zinc/59/13/12/570591312.db2.gz JBLYOORALHCRTA-UJXFUWLCSA-N 2 2 385.527 3.294 50 0 GGAALP O=C(NC1CC1)[C@H]1CCC[N@H+](C2CC[NH+](C/C=C/c3ccc(F)cc3)CC2)C1 ZINC000011879371 570591316 /nfs/dbraw/zinc/59/13/16/570591316.db2.gz JBLYOORALHCRTA-UJXFUWLCSA-N 2 2 385.527 3.294 50 0 GGAALP O=C(NC1CC1)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccc4ccccc4n3)CC2)C1 ZINC000011938125 570594787 /nfs/dbraw/zinc/59/47/87/570594787.db2.gz ZWUAXGVSIZFOIE-LJQANCHMSA-N 2 2 392.547 3.190 50 0 GGAALP O=C(NC1CC1)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccc4ccccc4n3)CC2)C1 ZINC000011938125 570594791 /nfs/dbraw/zinc/59/47/91/570594791.db2.gz ZWUAXGVSIZFOIE-LJQANCHMSA-N 2 2 392.547 3.190 50 0 GGAALP CCn1cc[nH+]c1CN(CCOC)C[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000012205583 570625889 /nfs/dbraw/zinc/62/58/89/570625889.db2.gz BTEZPEXCXAVDQJ-HXUWFJFHSA-N 2 2 396.579 3.231 50 0 GGAALP CCn1cc[nH+]c1CN(CCOC)C[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000012205583 570625892 /nfs/dbraw/zinc/62/58/92/570625892.db2.gz BTEZPEXCXAVDQJ-HXUWFJFHSA-N 2 2 396.579 3.231 50 0 GGAALP CCn1cc[nH+]c1CN(CCOC)C[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000012205574 570625988 /nfs/dbraw/zinc/62/59/88/570625988.db2.gz BTEZPEXCXAVDQJ-FQEVSTJZSA-N 2 2 396.579 3.231 50 0 GGAALP CCn1cc[nH+]c1CN(CCOC)C[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000012205574 570625992 /nfs/dbraw/zinc/62/59/92/570625992.db2.gz BTEZPEXCXAVDQJ-FQEVSTJZSA-N 2 2 396.579 3.231 50 0 GGAALP CC(C)/C=C/C[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000012303082 570637194 /nfs/dbraw/zinc/63/71/94/570637194.db2.gz QSOGISHIZIDIFE-KOXUSJRISA-N 2 2 384.568 3.086 50 0 GGAALP CC(C)/C=C/C[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000012303082 570637199 /nfs/dbraw/zinc/63/71/99/570637199.db2.gz QSOGISHIZIDIFE-KOXUSJRISA-N 2 2 384.568 3.086 50 0 GGAALP CN(Cc1c[nH+]c2ccccn12)C(=O)c1cc(C[N@H+](C)Cc2ccccc2)on1 ZINC000012306424 570639166 /nfs/dbraw/zinc/63/91/66/570639166.db2.gz JYGTUKRNHLVOLN-UHFFFAOYSA-N 2 2 389.459 3.227 50 0 GGAALP CN(Cc1c[nH+]c2ccccn12)C(=O)c1cc(C[N@@H+](C)Cc2ccccc2)on1 ZINC000012306424 570639168 /nfs/dbraw/zinc/63/91/68/570639168.db2.gz JYGTUKRNHLVOLN-UHFFFAOYSA-N 2 2 389.459 3.227 50 0 GGAALP CC(C)(C)C[NH+]1CCC(Oc2cccc(C(=O)NCCc3c[nH+]c[nH]3)c2)CC1 ZINC000012429281 570658142 /nfs/dbraw/zinc/65/81/42/570658142.db2.gz DULNECKIZSPWOO-UHFFFAOYSA-N 2 2 384.524 3.272 50 0 GGAALP CC(C)(C)C[NH+]1CCC(Oc2cccc(C(=O)NCCc3c[nH]c[nH+]3)c2)CC1 ZINC000012429281 570658145 /nfs/dbraw/zinc/65/81/45/570658145.db2.gz DULNECKIZSPWOO-UHFFFAOYSA-N 2 2 384.524 3.272 50 0 GGAALP CC(C)[NH+]1CCC([N@@H+]2CCC[C@@H]2C(=O)Nc2cccc(-n3cccn3)c2)CC1 ZINC000012597281 570690106 /nfs/dbraw/zinc/69/01/06/570690106.db2.gz HHCZJQIFYNJNGZ-OAQYLSRUSA-N 2 2 381.524 3.148 50 0 GGAALP CC(C)[NH+]1CCC([N@H+]2CCC[C@@H]2C(=O)Nc2cccc(-n3cccn3)c2)CC1 ZINC000012597281 570690111 /nfs/dbraw/zinc/69/01/11/570690111.db2.gz HHCZJQIFYNJNGZ-OAQYLSRUSA-N 2 2 381.524 3.148 50 0 GGAALP CC(C)[NH+]1CCC([N@@H+]2CCC[C@H]2C(=O)Nc2cccc(-n3cccn3)c2)CC1 ZINC000012597285 570690180 /nfs/dbraw/zinc/69/01/80/570690180.db2.gz HHCZJQIFYNJNGZ-NRFANRHFSA-N 2 2 381.524 3.148 50 0 GGAALP CC(C)[NH+]1CCC([N@H+]2CCC[C@H]2C(=O)Nc2cccc(-n3cccn3)c2)CC1 ZINC000012597285 570690183 /nfs/dbraw/zinc/69/01/83/570690183.db2.gz HHCZJQIFYNJNGZ-NRFANRHFSA-N 2 2 381.524 3.148 50 0 GGAALP CCOc1ccccc1C[NH+]1CCC([NH+]2CCC(C(=O)N3CCCC3)CC2)CC1 ZINC000012709066 570701650 /nfs/dbraw/zinc/70/16/50/570701650.db2.gz OXEKYYIEICTQIM-UHFFFAOYSA-N 2 2 399.579 3.384 50 0 GGAALP Cc1[nH+]ccn1-c1cc(NCCNC(=O)Nc2ccc(C)c(C)c2)[nH+]c(C)n1 ZINC000065363288 570760744 /nfs/dbraw/zinc/76/07/44/570760744.db2.gz OJPAFDAWXDFOQG-UHFFFAOYSA-N 2 2 379.468 3.130 50 0 GGAALP Cc1[nH+]ccn1-c1cc(NCCNC(=O)Nc2ccc(C)c(Cl)c2)[nH+]c(C)n1 ZINC000065365149 570761197 /nfs/dbraw/zinc/76/11/97/570761197.db2.gz JJFQYHLVZRHPDB-UHFFFAOYSA-N 2 2 399.886 3.475 50 0 GGAALP Cc1[nH+]ccn1-c1cc(NCCNC(=O)Nc2cccc(Cl)c2)[nH+]c(C)n1 ZINC000065364938 570761216 /nfs/dbraw/zinc/76/12/16/570761216.db2.gz ZWYOEXAUNPXMLP-UHFFFAOYSA-N 2 2 385.859 3.166 50 0 GGAALP COc1ccc(F)c(C[NH+]2CCC([C@H](C)[NH+]3CCN(C)CC3)CC2)c1Cl ZINC000065374159 570762529 /nfs/dbraw/zinc/76/25/29/570762529.db2.gz LROPGSOQAASLJV-HNNXBMFYSA-N 2 2 383.939 3.336 50 0 GGAALP Cc1[nH+]ccn1-c1cc(NCCNC(=O)Nc2ccc3ccccc3c2)[nH+]cn1 ZINC000067602217 570782765 /nfs/dbraw/zinc/78/27/65/570782765.db2.gz CTNYFNWFQOUVMJ-UHFFFAOYSA-N 2 2 387.447 3.358 50 0 GGAALP Cc1[nH+]ccn1-c1cc(NCCNC(=O)Nc2ccc(C)c(Cl)c2)[nH+]cn1 ZINC000067614007 570783862 /nfs/dbraw/zinc/78/38/62/570783862.db2.gz NGHWDLPUXGFRNP-UHFFFAOYSA-N 2 2 385.859 3.166 50 0 GGAALP CC[C@H](c1[nH]c2ccc(C)cc2[nH+]1)n1cnc2sc3c(c2c1=O)CC[NH2+]C3 ZINC000067787968 570791240 /nfs/dbraw/zinc/79/12/40/570791240.db2.gz GJVBJJBHOZWBRI-OAHLLOKOSA-N 2 2 379.489 3.288 50 0 GGAALP O=C(Nc1ccncc1)c1cccc(C[N@@H+]2CCC[C@@H](Cn3cc[nH+]c3)C2)c1 ZINC000067955521 570798318 /nfs/dbraw/zinc/79/83/18/570798318.db2.gz QALBDMYRZRWAMQ-LJQANCHMSA-N 2 2 375.476 3.443 50 0 GGAALP O=C(Nc1ccncc1)c1cccc(C[N@H+]2CCC[C@@H](Cn3cc[nH+]c3)C2)c1 ZINC000067955521 570798320 /nfs/dbraw/zinc/79/83/20/570798320.db2.gz QALBDMYRZRWAMQ-LJQANCHMSA-N 2 2 375.476 3.443 50 0 GGAALP O=C(NCc1cccnc1)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3cccs3)CC2)C1 ZINC000071388773 570832948 /nfs/dbraw/zinc/83/29/48/570832948.db2.gz CFMFYRCMCYRILC-IBGZPJMESA-N 2 2 398.576 3.136 50 0 GGAALP O=C(NCc1cccnc1)[C@H]1CCC[N@H+](C2CC[NH+](Cc3cccs3)CC2)C1 ZINC000071388773 570832950 /nfs/dbraw/zinc/83/29/50/570832950.db2.gz CFMFYRCMCYRILC-IBGZPJMESA-N 2 2 398.576 3.136 50 0 GGAALP CC(C)CCN(C)C(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000071498332 570838750 /nfs/dbraw/zinc/83/87/50/570838750.db2.gz ANIDMULLVBCXNW-OAQYLSRUSA-N 2 2 386.584 3.263 50 0 GGAALP CC(C)CCN(C)C(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000071498332 570838753 /nfs/dbraw/zinc/83/87/53/570838753.db2.gz ANIDMULLVBCXNW-OAQYLSRUSA-N 2 2 386.584 3.263 50 0 GGAALP CCC1CCN(C(=O)[C@H]2CCC[N@@H+](C3CC[NH+](Cc4cccnc4)CC3)C2)CC1 ZINC000071748894 570846227 /nfs/dbraw/zinc/84/62/27/570846227.db2.gz NKQJZVPCCKYCTJ-QFIPXVFZSA-N 2 2 398.595 3.407 50 0 GGAALP CCC1CCN(C(=O)[C@H]2CCC[N@H+](C3CC[NH+](Cc4cccnc4)CC3)C2)CC1 ZINC000071748894 570846231 /nfs/dbraw/zinc/84/62/31/570846231.db2.gz NKQJZVPCCKYCTJ-QFIPXVFZSA-N 2 2 398.595 3.407 50 0 GGAALP O=C([C@@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1)N1CCCCCC1 ZINC000071750650 570846830 /nfs/dbraw/zinc/84/68/30/570846830.db2.gz PFEFBXCYNKNCSU-OAQYLSRUSA-N 2 2 384.568 3.161 50 0 GGAALP O=C([C@@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1)N1CCCCCC1 ZINC000071750650 570846831 /nfs/dbraw/zinc/84/68/31/570846831.db2.gz PFEFBXCYNKNCSU-OAQYLSRUSA-N 2 2 384.568 3.161 50 0 GGAALP CN(CC1CCCC1)C(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000071757061 570848497 /nfs/dbraw/zinc/84/84/97/570848497.db2.gz ITODHWQVUBJKDQ-JOCHJYFZSA-N 2 2 398.595 3.407 50 0 GGAALP CN(CC1CCCC1)C(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000071757061 570848502 /nfs/dbraw/zinc/84/85/02/570848502.db2.gz ITODHWQVUBJKDQ-JOCHJYFZSA-N 2 2 398.595 3.407 50 0 GGAALP Cc1[nH+]cn(-c2cc(NCCNC(=O)c3cccc(Cl)c3)[nH+]c(C)n2)c1C ZINC000072117435 570866632 /nfs/dbraw/zinc/86/66/32/570866632.db2.gz CCDZAJMXITVNSZ-UHFFFAOYSA-N 2 2 384.871 3.083 50 0 GGAALP COc1ccccc1[C@@H]1CN(c2[nH+]cnc3[nH]ccc32)[C@H]2[C@@H]1[NH+]1CCC2CC1 ZINC000072156243 570874613 /nfs/dbraw/zinc/87/46/13/570874613.db2.gz HRZYHLMMGVWJAS-DFQSSKMNSA-N 2 2 375.476 3.033 50 0 GGAALP CC[NH+](CC)CCn1c2ccccc2n(C[C@H](O)COc2ccccc2C)c1=[NH2+] ZINC000003653185 570881390 /nfs/dbraw/zinc/88/13/90/570881390.db2.gz QSXDXKQXUFBCJW-IBGZPJMESA-N 2 2 396.535 3.012 50 0 GGAALP Cc1[nH+]ccn1CCN(C)C(=O)NC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000534582597 570903459 /nfs/dbraw/zinc/90/34/59/570903459.db2.gz BZUGLURBACPIET-UHFFFAOYSA-N 2 2 389.931 3.151 50 0 GGAALP Cc1cccn2c(CC(=O)NC3CC[NH+](Cc4ccccc4F)CC3)c[nH+]c12 ZINC000534648608 570917218 /nfs/dbraw/zinc/91/72/18/570917218.db2.gz QBQYHHACYAVJOS-UHFFFAOYSA-N 2 2 380.467 3.105 50 0 GGAALP CN(CCn1cc[nH+]c1)C(=O)c1cccc(-c2ccc(C[NH+]3CCCC3)cn2)c1 ZINC000534673911 570921555 /nfs/dbraw/zinc/92/15/55/570921555.db2.gz SOUYGEIBFPPVHQ-UHFFFAOYSA-N 2 2 389.503 3.313 50 0 GGAALP [NH3+]CCCNc1nc(NCC2CCCCC2)c(C(=O)NCc2ccccc2)c[nH+]1 ZINC000045319705 570989920 /nfs/dbraw/zinc/98/99/20/570989920.db2.gz AURURKIVWYCSDZ-UHFFFAOYSA-N 2 2 396.539 3.160 50 0 GGAALP NC(=O)CCn1cc(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)c2ccccc21 ZINC000055393389 1406947265 /nfs/dbraw/zinc/94/72/65/1406947265.db2.gz JTTWJTMKJRSNSH-NRFANRHFSA-N 2 2 387.487 3.244 50 0 GGAALP COCC[N@H+](CC1CC[NH+](Cc2ccccc2F)CC1)C1CC[NH+](C)CC1 ZINC000012072385 1399026479 /nfs/dbraw/zinc/02/64/79/1399026479.db2.gz DXSGCGDECMLQGC-UHFFFAOYSA-N 3 2 377.548 3.080 50 0 GGAALP COCC[N@@H+](CC1CC[NH+](Cc2ccccc2F)CC1)C1CC[NH+](C)CC1 ZINC000012072385 1399026485 /nfs/dbraw/zinc/02/64/85/1399026485.db2.gz DXSGCGDECMLQGC-UHFFFAOYSA-N 3 2 377.548 3.080 50 0 GGAALP COCC[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cnc(-c4cccc(C)c4)nc3)C2)C1 ZINC000012456955 1399044000 /nfs/dbraw/zinc/04/40/00/1399044000.db2.gz OOQXVKFIIQKPFU-HSZRJFAPSA-N 2 2 380.536 3.386 50 0 GGAALP COCC[N@H+]1CCC[C@@]2(CC[NH+](Cc3cnc(-c4cccc(C)c4)nc3)C2)C1 ZINC000012456955 1399044006 /nfs/dbraw/zinc/04/40/06/1399044006.db2.gz OOQXVKFIIQKPFU-HSZRJFAPSA-N 2 2 380.536 3.386 50 0 GGAALP COCC[NH+]1CCC[C@@]2(CC[N@H+](Cc3cnc(-c4cccc(C)c4)nc3)C2)C1 ZINC000012456955 1399044013 /nfs/dbraw/zinc/04/40/13/1399044013.db2.gz OOQXVKFIIQKPFU-HSZRJFAPSA-N 2 2 380.536 3.386 50 0 GGAALP COCC[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cnc(-c4cccc(C)c4)nc3)C2)C1 ZINC000012456955 1399044017 /nfs/dbraw/zinc/04/40/17/1399044017.db2.gz OOQXVKFIIQKPFU-HSZRJFAPSA-N 2 2 380.536 3.386 50 0 GGAALP COc1cccc(C[N@@H+]2CCC[C@@]3(CC[NH+](CCCn4cccn4)C3)C2)c1OC ZINC000014959025 1399128837 /nfs/dbraw/zinc/12/88/37/1399128837.db2.gz CNTJKPVSUWLLDK-QHCPKHFHSA-N 2 2 398.551 3.279 50 0 GGAALP COc1cccc(C[N@H+]2CCC[C@@]3(CC[NH+](CCCn4cccn4)C3)C2)c1OC ZINC000014959025 1399128841 /nfs/dbraw/zinc/12/88/41/1399128841.db2.gz CNTJKPVSUWLLDK-QHCPKHFHSA-N 2 2 398.551 3.279 50 0 GGAALP COc1cccc(C[NH+]2CCC[C@@]3(CC[N@H+](CCCn4cccn4)C3)C2)c1OC ZINC000014959025 1399128846 /nfs/dbraw/zinc/12/88/46/1399128846.db2.gz CNTJKPVSUWLLDK-QHCPKHFHSA-N 2 2 398.551 3.279 50 0 GGAALP COc1cccc(C[NH+]2CCC[C@@]3(CC[N@@H+](CCCn4cccn4)C3)C2)c1OC ZINC000014959025 1399128848 /nfs/dbraw/zinc/12/88/48/1399128848.db2.gz CNTJKPVSUWLLDK-QHCPKHFHSA-N 2 2 398.551 3.279 50 0 GGAALP CC1(C)C[C@H](C[NH2+]Cc2cccnc2N2CCN(c3cccc[nH+]3)CC2)CCO1 ZINC000020598457 1399349561 /nfs/dbraw/zinc/34/95/61/1399349561.db2.gz XLBUBIHOIKZQLQ-LJQANCHMSA-N 2 2 395.551 3.098 50 0 GGAALP C[N@@H+]1CCCN(C(=O)c2ccc([C@H]3CCC[NH+]3Cc3ccncc3)s2)CC1 ZINC000020776605 1399352575 /nfs/dbraw/zinc/35/25/75/1399352575.db2.gz HBTYQBJYTWHVQE-GOSISDBHSA-N 2 2 384.549 3.258 50 0 GGAALP C[N@H+]1CCCN(C(=O)c2ccc([C@H]3CCC[NH+]3Cc3ccncc3)s2)CC1 ZINC000020776605 1399352581 /nfs/dbraw/zinc/35/25/81/1399352581.db2.gz HBTYQBJYTWHVQE-GOSISDBHSA-N 2 2 384.549 3.258 50 0 GGAALP C[NH+]1CCCN(C(=O)c2ccc([C@H]3CCC[N@@H+]3Cc3ccncc3)s2)CC1 ZINC000020776605 1399352589 /nfs/dbraw/zinc/35/25/89/1399352589.db2.gz HBTYQBJYTWHVQE-GOSISDBHSA-N 2 2 384.549 3.258 50 0 GGAALP C[NH+]1CCCN(C(=O)c2ccc([C@H]3CCC[N@H+]3Cc3ccncc3)s2)CC1 ZINC000020776605 1399352595 /nfs/dbraw/zinc/35/25/95/1399352595.db2.gz HBTYQBJYTWHVQE-GOSISDBHSA-N 2 2 384.549 3.258 50 0 GGAALP c1cc(C[N@@H+]2CCC[C@H](N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)C2)cs1 ZINC000022930637 1399518515 /nfs/dbraw/zinc/51/85/15/1399518515.db2.gz NNOYHYSFPZWVTJ-FQEVSTJZSA-N 2 2 399.560 3.259 50 0 GGAALP c1cc(C[N@H+]2CCC[C@H](N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)C2)cs1 ZINC000022930637 1399518517 /nfs/dbraw/zinc/51/85/17/1399518517.db2.gz NNOYHYSFPZWVTJ-FQEVSTJZSA-N 2 2 399.560 3.259 50 0 GGAALP O=C([C@@H]1CCCN(c2cccc[nH+]2)C1)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000047832714 1404967785 /nfs/dbraw/zinc/96/77/85/1404967785.db2.gz QVFSFTSFNWBAHW-GOSISDBHSA-N 2 2 384.549 3.094 50 0 GGAALP O=C([C@@H]1CCCN(c2cccc[nH+]2)C1)N1CCC[N@@H+](Cc2cccs2)CC1 ZINC000047832714 1404967790 /nfs/dbraw/zinc/96/77/90/1404967790.db2.gz QVFSFTSFNWBAHW-GOSISDBHSA-N 2 2 384.549 3.094 50 0 GGAALP Cn1c(C[NH+]2CCCC2)nnc1[C@H]1CCC[N@H+](Cc2cc3ccccc3[nH]2)C1 ZINC000426493091 231229157 /nfs/dbraw/zinc/22/91/57/231229157.db2.gz VVIKZTWMLBLPHG-SFHVURJKSA-N 2 2 378.524 3.272 50 0 GGAALP Cn1c(C[NH+]2CCCC2)nnc1[C@H]1CCC[N@@H+](Cc2cc3ccccc3[nH]2)C1 ZINC000426493091 231229159 /nfs/dbraw/zinc/22/91/59/231229159.db2.gz VVIKZTWMLBLPHG-SFHVURJKSA-N 2 2 378.524 3.272 50 0 GGAALP Cc1c2[nH+]c[nH]c2cc(NC(=O)NC2CC[NH+](Cc3cccnc3)CC2)c1C ZINC000426465437 231223518 /nfs/dbraw/zinc/22/35/18/231223518.db2.gz JZGYHKFTXVQLRE-UHFFFAOYSA-N 2 2 378.480 3.361 50 0 GGAALP Cc1c2[nH]c[nH+]c2cc(NC(=O)NC2CC[NH+](Cc3cccnc3)CC2)c1C ZINC000426465437 231223522 /nfs/dbraw/zinc/22/35/22/231223522.db2.gz JZGYHKFTXVQLRE-UHFFFAOYSA-N 2 2 378.480 3.361 50 0 GGAALP CCc1ccc(C[N@@H+]2CCc3c(C(=O)N(C)[C@H]4CC[NH+](C)C4)csc3C2)nc1 ZINC000426487437 529642109 /nfs/dbraw/zinc/64/21/09/529642109.db2.gz PNJLZVXOIKPALT-SFHVURJKSA-N 2 2 398.576 3.040 50 0 GGAALP CCc1ccc(C[N@H+]2CCc3c(C(=O)N(C)[C@H]4CC[NH+](C)C4)csc3C2)nc1 ZINC000426487437 529642112 /nfs/dbraw/zinc/64/21/12/529642112.db2.gz PNJLZVXOIKPALT-SFHVURJKSA-N 2 2 398.576 3.040 50 0 GGAALP CCc1ccc(C[NH+]2CCc3c(C(=O)N(C)[C@H]4CC[N@H+](C)C4)csc3C2)nc1 ZINC000426487437 529642114 /nfs/dbraw/zinc/64/21/14/529642114.db2.gz PNJLZVXOIKPALT-SFHVURJKSA-N 2 2 398.576 3.040 50 0 GGAALP CCc1ccc(C[NH+]2CCc3c(C(=O)N(C)[C@H]4CC[N@@H+](C)C4)csc3C2)nc1 ZINC000426487437 529642115 /nfs/dbraw/zinc/64/21/15/529642115.db2.gz PNJLZVXOIKPALT-SFHVURJKSA-N 2 2 398.576 3.040 50 0 GGAALP CCc1ccc(C[N@@H+]2CCc3c(C(=O)NCC[C@@H]4CCC[NH2+]4)csc3C2)nc1 ZINC000426439139 529644385 /nfs/dbraw/zinc/64/43/85/529644385.db2.gz ZRTAEHJNVWFPEA-KRWDZBQOSA-N 2 2 398.576 3.136 50 0 GGAALP CCc1ccc(C[N@H+]2CCc3c(C(=O)NCC[C@@H]4CCC[NH2+]4)csc3C2)nc1 ZINC000426439139 529644388 /nfs/dbraw/zinc/64/43/88/529644388.db2.gz ZRTAEHJNVWFPEA-KRWDZBQOSA-N 2 2 398.576 3.136 50 0 GGAALP CC[NH+]1CCC([N@@H+]2CCC[C@@H](N3CCN(c4cccc(Cl)c4)CC3)C2)CC1 ZINC000019228859 210234289 /nfs/dbraw/zinc/23/42/89/210234289.db2.gz MKHGIGNYXPVHIR-JOCHJYFZSA-N 2 2 391.003 3.411 50 0 GGAALP CC[NH+]1CCC([N@H+]2CCC[C@@H](N3CCN(c4cccc(Cl)c4)CC3)C2)CC1 ZINC000019228859 210234295 /nfs/dbraw/zinc/23/42/95/210234295.db2.gz MKHGIGNYXPVHIR-JOCHJYFZSA-N 2 2 391.003 3.411 50 0 GGAALP CN(Cc1ccccc1C[NH+]1CCCC1)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000426707192 530001500 /nfs/dbraw/zinc/00/15/00/530001500.db2.gz KYOLTVXTFDKIJJ-UHFFFAOYSA-N 2 2 377.492 3.272 50 0 GGAALP O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2F)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000015074687 210150480 /nfs/dbraw/zinc/15/04/80/210150480.db2.gz LIYUMUSICVHZEI-IBGZPJMESA-N 2 2 378.451 3.406 50 0 GGAALP O=C(N[C@H]1CCC[N@H+](Cc2ccccc2F)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000015074687 210150484 /nfs/dbraw/zinc/15/04/84/210150484.db2.gz LIYUMUSICVHZEI-IBGZPJMESA-N 2 2 378.451 3.406 50 0 GGAALP CN(Cc1c[nH+]c2ccccn12)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000426523288 530016167 /nfs/dbraw/zinc/01/61/67/530016167.db2.gz ZAZSGIWXNJRMJZ-IBGZPJMESA-N 2 2 377.492 3.140 50 0 GGAALP CN(Cc1c[nH+]c2ccccn12)C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000426523288 530016168 /nfs/dbraw/zinc/01/61/68/530016168.db2.gz ZAZSGIWXNJRMJZ-IBGZPJMESA-N 2 2 377.492 3.140 50 0 GGAALP CC[NH+]1CCC([N@@H+]2C[C@H](Sc3ccc(F)cc3)C[C@H]2C(=O)NC2CC2)CC1 ZINC000014997658 210140920 /nfs/dbraw/zinc/14/09/20/210140920.db2.gz DGAYHSXASARMHX-UXHICEINSA-N 2 2 391.556 3.124 50 0 GGAALP CC[NH+]1CCC([N@H+]2C[C@H](Sc3ccc(F)cc3)C[C@H]2C(=O)NC2CC2)CC1 ZINC000014997658 210140925 /nfs/dbraw/zinc/14/09/25/210140925.db2.gz DGAYHSXASARMHX-UXHICEINSA-N 2 2 391.556 3.124 50 0 GGAALP C[N@H+](CCCC[NH+]1CCOCC1)Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000012757607 210003235 /nfs/dbraw/zinc/00/32/35/210003235.db2.gz XBSQOWWUQJJWID-UHFFFAOYSA-N 2 2 398.429 3.300 50 0 GGAALP C[N@@H+](CCCC[NH+]1CCOCC1)Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000012757607 210003240 /nfs/dbraw/zinc/00/32/40/210003240.db2.gz XBSQOWWUQJJWID-UHFFFAOYSA-N 2 2 398.429 3.300 50 0 GGAALP COc1ccc(C[NH+]2CCC([NH+]3CCN(c4ccccc4)CC3)CC2)cc1OC ZINC000001457371 209329461 /nfs/dbraw/zinc/32/94/61/209329461.db2.gz LQVDUQBBUPQPIU-UHFFFAOYSA-N 2 2 395.547 3.490 50 0 GGAALP COc1ccc2[nH]c(CCNC(=O)CCC[NH+]3Cc4ccccc4C3)[nH+]c2c1 ZINC000299767706 212033836 /nfs/dbraw/zinc/03/38/36/212033836.db2.gz NEPDKWOIJLQKMX-UHFFFAOYSA-N 2 2 378.476 3.026 50 0 GGAALP O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000299760913 212032819 /nfs/dbraw/zinc/03/28/19/212032819.db2.gz PZUZSCLAAMMRDF-UHFFFAOYSA-N 2 2 386.540 3.001 50 0 GGAALP O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000299760913 212032824 /nfs/dbraw/zinc/03/28/24/212032824.db2.gz PZUZSCLAAMMRDF-UHFFFAOYSA-N 2 2 386.540 3.001 50 0 GGAALP COc1cccc(C[NH2+]CC[C@@H]2CCC(=O)N2Cc2cn3ccc(C)cc3[nH+]2)c1 ZINC000299762225 212032373 /nfs/dbraw/zinc/03/23/73/212032373.db2.gz MMHADFQSZZDSNS-FQEVSTJZSA-N 2 2 392.503 3.322 50 0 GGAALP CC[C@H]1CN(C(=O)c2ccc(NCCc3cccc(C)[nH+]3)nc2)CC[N@@H+]1C(C)C ZINC000096836388 211346891 /nfs/dbraw/zinc/34/68/91/211346891.db2.gz BVJRFDKYCDMPMX-NRFANRHFSA-N 2 2 395.551 3.384 50 0 GGAALP CC[C@H]1CN(C(=O)c2ccc(NCCc3cccc(C)[nH+]3)nc2)CC[N@H+]1C(C)C ZINC000096836388 211346892 /nfs/dbraw/zinc/34/68/92/211346892.db2.gz BVJRFDKYCDMPMX-NRFANRHFSA-N 2 2 395.551 3.384 50 0 GGAALP CCn1c(C[NH+](C)C)nnc1C1CC[NH+](Cc2ccc3ccccc3n2)CC1 ZINC000096151133 211312374 /nfs/dbraw/zinc/31/23/74/211312374.db2.gz MABZGERXLWCSNS-UHFFFAOYSA-N 2 2 378.524 3.287 50 0 GGAALP Cc1[nH+]ccn1Cc1nnc(C2CC[NH+](Cc3c(F)cccc3F)CC2)n1C ZINC000096147970 211310568 /nfs/dbraw/zinc/31/05/68/211310568.db2.gz WXRVNCATWZIMRX-UHFFFAOYSA-N 2 2 386.450 3.026 50 0 GGAALP Fc1ccccc1C[NH+]1CCC(c2nnc(Cn3cc[nH+]c3)n2C2CC2)CC1 ZINC000096149162 211310372 /nfs/dbraw/zinc/31/03/72/211310372.db2.gz NWXKFROAPLVPOZ-UHFFFAOYSA-N 2 2 380.471 3.377 50 0 GGAALP CCc1ccc(C[NH+]2CCC(c3nnc(Cn4cc[nH+]c4)n3CC)CC2)cc1 ZINC000096147840 211310427 /nfs/dbraw/zinc/31/04/27/211310427.db2.gz JVPBZLHNYNEHRQ-UHFFFAOYSA-N 2 2 378.524 3.485 50 0 GGAALP C[NH+](C)CCCn1cc[nH+]c1[C@H]1CCCN(C(=O)C2(c3ccccc3)CC2)C1 ZINC000095531509 211275325 /nfs/dbraw/zinc/27/53/25/211275325.db2.gz BXLFHBLBYQWBLJ-IBGZPJMESA-N 2 2 380.536 3.273 50 0 GGAALP C[NH+](C)CCn1cc[nH+]c1C1CCN(C(=O)c2cc3c(s2)CCCC3)CC1 ZINC000095526702 211273058 /nfs/dbraw/zinc/27/30/58/211273058.db2.gz HFRVEDJENMKZRM-UHFFFAOYSA-N 2 2 386.565 3.405 50 0 GGAALP C[NH+](C)CCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)NCC2CCCCC2)C1 ZINC000095526208 211271887 /nfs/dbraw/zinc/27/18/87/211271887.db2.gz FQGAWOSYZMMGBP-LJQANCHMSA-N 2 2 375.561 3.304 50 0 GGAALP C[NH+]1CCC([NH+]2CCC(Oc3cccc(C(=O)N4CCCCC4)c3)CC2)CC1 ZINC000095525243 211270353 /nfs/dbraw/zinc/27/03/53/211270353.db2.gz KNGYKCSCJSTORX-UHFFFAOYSA-N 2 2 385.552 3.250 50 0 GGAALP CCc1[nH+]ccn1CCC(=O)N1CCC(c2[nH+]ccn2Cc2ccccc2)CC1 ZINC000095522174 211268162 /nfs/dbraw/zinc/26/81/62/211268162.db2.gz QYGOYCOSXLEMEJ-UHFFFAOYSA-N 2 2 391.519 3.487 50 0 GGAALP C[NH+](C[C@H](O)COc1ccccc1C[N@H+](C)Cc1cnccn1)C1CCCCC1 ZINC000095521121 211267557 /nfs/dbraw/zinc/26/75/57/211267557.db2.gz UEDWZEBFSGJXLH-QFIPXVFZSA-N 2 2 398.551 3.113 50 0 GGAALP C[NH+](C[C@H](O)COc1ccccc1C[N@@H+](C)Cc1cnccn1)C1CCCCC1 ZINC000095521121 211267561 /nfs/dbraw/zinc/26/75/61/211267561.db2.gz UEDWZEBFSGJXLH-QFIPXVFZSA-N 2 2 398.551 3.113 50 0 GGAALP C[NH+](Cc1cnccn1)Cc1ccccc1OC[C@@H](O)C[N@H+](C)C1CCCCC1 ZINC000095521121 211267564 /nfs/dbraw/zinc/26/75/64/211267564.db2.gz UEDWZEBFSGJXLH-QFIPXVFZSA-N 2 2 398.551 3.113 50 0 GGAALP C[NH+](Cc1cnccn1)Cc1ccccc1OC[C@@H](O)C[N@@H+](C)C1CCCCC1 ZINC000095521121 211267568 /nfs/dbraw/zinc/26/75/68/211267568.db2.gz UEDWZEBFSGJXLH-QFIPXVFZSA-N 2 2 398.551 3.113 50 0 GGAALP C[NH+](C)CCCn1cc[nH+]c1[C@H]1CCCN(C(=O)c2ccc3cccnc3c2)C1 ZINC000095519453 211267335 /nfs/dbraw/zinc/26/73/35/211267335.db2.gz MQEQIWXIOVUZFK-FQEVSTJZSA-N 2 2 391.519 3.403 50 0 GGAALP O[C@H](COc1ccc(C[NH+]2CC(Oc3ccccc3)C2)cc1)C[NH+]1CCCCC1 ZINC000095502082 211255877 /nfs/dbraw/zinc/25/58/77/211255877.db2.gz BWJXVUZUMNRUSQ-NRFANRHFSA-N 2 2 396.531 3.175 50 0 GGAALP Cn1c(Cn2cc[nH+]c2)nnc1[C@H]1CCC[N@H+](Cc2c(F)cccc2Cl)C1 ZINC000095361284 211224403 /nfs/dbraw/zinc/22/44/03/211224403.db2.gz OXBRVSATUBGPNX-AWEZNQCLSA-N 2 2 388.878 3.232 50 0 GGAALP Cn1c(Cn2cc[nH+]c2)nnc1[C@H]1CCC[N@@H+](Cc2c(F)cccc2Cl)C1 ZINC000095361284 211224405 /nfs/dbraw/zinc/22/44/05/211224405.db2.gz OXBRVSATUBGPNX-AWEZNQCLSA-N 2 2 388.878 3.232 50 0 GGAALP Cn1c(Cn2cc[nH+]c2)nnc1[C@@H]1CCC[N@H+](Cc2c(F)cccc2Cl)C1 ZINC000095361283 211223836 /nfs/dbraw/zinc/22/38/36/211223836.db2.gz OXBRVSATUBGPNX-CQSZACIVSA-N 2 2 388.878 3.232 50 0 GGAALP Cn1c(Cn2cc[nH+]c2)nnc1[C@@H]1CCC[N@@H+](Cc2c(F)cccc2Cl)C1 ZINC000095361283 211223840 /nfs/dbraw/zinc/22/38/40/211223840.db2.gz OXBRVSATUBGPNX-CQSZACIVSA-N 2 2 388.878 3.232 50 0 GGAALP CCc1cc(N2C[C@@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CC[NH+]3CC2)nc(C)[nH+]1 ZINC000095374778 211229427 /nfs/dbraw/zinc/22/94/27/211229427.db2.gz CBXFQINMGRNVNA-CDNPAEQRSA-N 2 2 392.503 3.143 50 0 GGAALP O=C(c1ccc([C@@H]2CCC[NH2+]C2)cc1)N1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000095365665 211225973 /nfs/dbraw/zinc/22/59/73/211225973.db2.gz KZUCCSNGWNQACH-OAQYLSRUSA-N 2 2 381.495 3.251 50 0 GGAALP COc1ccc(F)cc1C(=O)N1CCC(c2[nH+]ccn2CCC[NH+](C)C)CC1 ZINC000095358953 211224548 /nfs/dbraw/zinc/22/45/48/211224548.db2.gz SYLWCFOBGQPWIZ-UHFFFAOYSA-N 2 2 388.487 3.002 50 0 GGAALP CCOc1ccccc1C[NH+]1CCC2(CCC(=O)N(CCc3c[nH+]c[nH]3)C2)CC1 ZINC000091876457 211211002 /nfs/dbraw/zinc/21/10/02/211211002.db2.gz QPIZSBFREUPZQT-UHFFFAOYSA-N 2 2 396.535 3.256 50 0 GGAALP CCOc1ccccc1C[NH+]1CCC2(CCC(=O)N(CCc3c[nH]c[nH+]3)C2)CC1 ZINC000091876457 211211004 /nfs/dbraw/zinc/21/10/04/211211004.db2.gz QPIZSBFREUPZQT-UHFFFAOYSA-N 2 2 396.535 3.256 50 0 GGAALP CCOc1ccc(C[NH+]2CCC3(CCC(=O)N(CCc4c[nH+]c[nH]4)C3)CC2)cc1 ZINC000091893968 211210493 /nfs/dbraw/zinc/21/04/93/211210493.db2.gz UMHISQPLZASRIT-UHFFFAOYSA-N 2 2 396.535 3.256 50 0 GGAALP CCOc1ccc(C[NH+]2CCC3(CCC(=O)N(CCc4c[nH]c[nH+]4)C3)CC2)cc1 ZINC000091893968 211210496 /nfs/dbraw/zinc/21/04/96/211210496.db2.gz UMHISQPLZASRIT-UHFFFAOYSA-N 2 2 396.535 3.256 50 0 GGAALP Cc1ccc(C[NH+]2CCC3(CCC(=O)N(CCc4c[nH+]c[nH]4)C3)CC2)c(C)c1 ZINC000091780152 211204748 /nfs/dbraw/zinc/20/47/48/211204748.db2.gz QURODWGRQXAKOB-UHFFFAOYSA-N 2 2 380.536 3.474 50 0 GGAALP Cc1ccc(C[NH+]2CCC3(CCC(=O)N(CCc4c[nH]c[nH+]4)C3)CC2)c(C)c1 ZINC000091780152 211204753 /nfs/dbraw/zinc/20/47/53/211204753.db2.gz QURODWGRQXAKOB-UHFFFAOYSA-N 2 2 380.536 3.474 50 0 GGAALP COc1ccc([C@@H]2C[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C[C@H]2N(C)C)cc1 ZINC000091550803 211196298 /nfs/dbraw/zinc/19/62/98/211196298.db2.gz UPJFBTIWWSHPAK-XZOQPEGZSA-N 2 2 376.504 3.411 50 0 GGAALP COc1ccc([C@@H]2C[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C[C@H]2N(C)C)cc1 ZINC000091550803 211196300 /nfs/dbraw/zinc/19/63/00/211196300.db2.gz UPJFBTIWWSHPAK-XZOQPEGZSA-N 2 2 376.504 3.411 50 0 GGAALP CCCc1ccc(C[NH+]2CCC3(CCC(=O)N(CCc4c[nH+]c[nH]4)C3)CC2)o1 ZINC000091848070 211207708 /nfs/dbraw/zinc/20/77/08/211207708.db2.gz GFKUWTNJDHOQIJ-UHFFFAOYSA-N 2 2 384.524 3.403 50 0 GGAALP CCCc1ccc(C[NH+]2CCC3(CCC(=O)N(CCc4c[nH]c[nH+]4)C3)CC2)o1 ZINC000091848070 211207711 /nfs/dbraw/zinc/20/77/11/211207711.db2.gz GFKUWTNJDHOQIJ-UHFFFAOYSA-N 2 2 384.524 3.403 50 0 GGAALP Cc1cccc(-n2cc(C[N@H+]3C[C@H](CO)[C@H](C[NH+]4CCCCCC4)C3)cn2)c1 ZINC000091547722 211193804 /nfs/dbraw/zinc/19/38/04/211193804.db2.gz PEFMFAGWKQYVQN-FGZHOGPDSA-N 2 2 382.552 3.097 50 0 GGAALP Cc1cccc(-n2cc(C[N@@H+]3C[C@H](CO)[C@H](C[NH+]4CCCCCC4)C3)cn2)c1 ZINC000091547722 211193801 /nfs/dbraw/zinc/19/38/01/211193801.db2.gz PEFMFAGWKQYVQN-FGZHOGPDSA-N 2 2 382.552 3.097 50 0 GGAALP Cc1cn2cc(C(=O)NCC3CC[NH+](CCc4ccccc4)CC3)ccc2[nH+]1 ZINC000082139217 211161428 /nfs/dbraw/zinc/16/14/28/211161428.db2.gz IJADYSYQIYNROF-UHFFFAOYSA-N 2 2 376.504 3.327 50 0 GGAALP CCC(C)(CC)NC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000082106740 211159109 /nfs/dbraw/zinc/15/91/09/211159109.db2.gz NZKDWAZCCIJVEV-HXUWFJFHSA-N 2 2 386.584 3.453 50 0 GGAALP CCC(C)(CC)NC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000082106740 211159113 /nfs/dbraw/zinc/15/91/13/211159113.db2.gz NZKDWAZCCIJVEV-HXUWFJFHSA-N 2 2 386.584 3.453 50 0 GGAALP O=C(NCC1=CCCCC1)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000082137964 211162524 /nfs/dbraw/zinc/16/25/24/211162524.db2.gz PTCIHASOLGBUEI-QFIPXVFZSA-N 2 2 396.579 3.375 50 0 GGAALP O=C(NCC1=CCCCC1)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000082137964 211162529 /nfs/dbraw/zinc/16/25/29/211162529.db2.gz PTCIHASOLGBUEI-QFIPXVFZSA-N 2 2 396.579 3.375 50 0 GGAALP Cn1c(C[NH+](C)C)nnc1C1CC[NH+](Cc2ccccc2C(F)(F)F)CC1 ZINC000077471051 211134662 /nfs/dbraw/zinc/13/46/62/211134662.db2.gz RRZDHCVUMGXYGI-UHFFFAOYSA-N 2 2 381.446 3.275 50 0 GGAALP CN(Cc1c[nH+]c2ccccn12)C(=O)C1(Oc2ccc(Cl)cc2)CC[NH2+]CC1 ZINC000077284586 211128761 /nfs/dbraw/zinc/12/87/61/211128761.db2.gz PCMWBAKMCRZDHU-UHFFFAOYSA-N 2 2 398.894 3.147 50 0 GGAALP Cc1[nH+]cn(-c2cc(NCCNC(=O)Nc3ccccc3C)[nH+]c(C)n2)c1C ZINC000072436977 211120466 /nfs/dbraw/zinc/12/04/66/211120466.db2.gz HQGMKUCZPBCTOI-UHFFFAOYSA-N 2 2 379.468 3.130 50 0 GGAALP Cc1[nH+]cn(-c2cc(NCCNC(=O)Nc3ccc(Cl)cc3)[nH+]cn2)c1C ZINC000072446892 211120296 /nfs/dbraw/zinc/12/02/96/211120296.db2.gz LPBJCZYZUVWKTB-UHFFFAOYSA-N 2 2 385.859 3.166 50 0 GGAALP O=C([C@H]1CCC[N@@H+]1Cc1ccccc1)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000072412393 211113728 /nfs/dbraw/zinc/11/37/28/211113728.db2.gz OIEJBFBJUUOISD-JOCHJYFZSA-N 2 2 381.495 3.135 50 0 GGAALP O=C([C@H]1CCC[N@H+]1Cc1ccccc1)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000072412393 211113732 /nfs/dbraw/zinc/11/37/32/211113732.db2.gz OIEJBFBJUUOISD-JOCHJYFZSA-N 2 2 381.495 3.135 50 0 GGAALP COc1cccc([C@@H]2CN(c3[nH+]cnc4[nH]ccc43)[C@H]3[C@@H]2[NH+]2CCC3CC2)c1 ZINC000072152634 211077969 /nfs/dbraw/zinc/07/79/69/211077969.db2.gz RGXHDXDVXGSJMV-XUVXKRRUSA-N 2 2 375.476 3.033 50 0 GGAALP C[NH+]1CCC([NH+]2CCC(Nc3cc(-c4ccccc4)nc4ccnn43)CC2)CC1 ZINC000072154795 211077491 /nfs/dbraw/zinc/07/74/91/211077491.db2.gz LDSBJCHSNKDKCH-UHFFFAOYSA-N 2 2 390.535 3.367 50 0 GGAALP COCC[N@@H+]1CCCn2nc(C[NH+]3CC=C(c4ccc(F)cc4)CC3)cc2C1 ZINC000072137147 211073643 /nfs/dbraw/zinc/07/36/43/211073643.db2.gz AEDQEPUOTAVNEK-UHFFFAOYSA-N 2 2 384.499 3.164 50 0 GGAALP COCC[N@H+]1CCCn2nc(C[NH+]3CC=C(c4ccc(F)cc4)CC3)cc2C1 ZINC000072137147 211073645 /nfs/dbraw/zinc/07/36/45/211073645.db2.gz AEDQEPUOTAVNEK-UHFFFAOYSA-N 2 2 384.499 3.164 50 0 GGAALP COCC[NH+]1CCCn2nc(C[N@H+]3CC=C(c4ccc(F)cc4)CC3)cc2C1 ZINC000072137147 211073649 /nfs/dbraw/zinc/07/36/49/211073649.db2.gz AEDQEPUOTAVNEK-UHFFFAOYSA-N 2 2 384.499 3.164 50 0 GGAALP COCC[NH+]1CCCn2nc(C[N@@H+]3CC=C(c4ccc(F)cc4)CC3)cc2C1 ZINC000072137147 211073653 /nfs/dbraw/zinc/07/36/53/211073653.db2.gz AEDQEPUOTAVNEK-UHFFFAOYSA-N 2 2 384.499 3.164 50 0 GGAALP Cc1ccccc1N1CC[NH+]([C@@H]2CCCN(c3[nH+]cnc4[nH]ccc43)C2)CC1 ZINC000072135175 211073533 /nfs/dbraw/zinc/07/35/33/211073533.db2.gz MZUZZFCAUOBHMW-GOSISDBHSA-N 2 2 376.508 3.057 50 0 GGAALP CC(C)CN(C(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccncc3)CC2)C1)C1CC1 ZINC000071774999 211062063 /nfs/dbraw/zinc/06/20/63/211062063.db2.gz GYBMYBBUPKZCRQ-NRFANRHFSA-N 2 2 398.595 3.405 50 0 GGAALP CC(C)CN(C(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccncc3)CC2)C1)C1CC1 ZINC000071774999 211062059 /nfs/dbraw/zinc/06/20/59/211062059.db2.gz GYBMYBBUPKZCRQ-NRFANRHFSA-N 2 2 398.595 3.405 50 0 GGAALP CN(Cc1ccco1)C(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000071774949 211061684 /nfs/dbraw/zinc/06/16/84/211061684.db2.gz KGXUPFUBFBPSJI-FQEVSTJZSA-N 2 2 396.535 3.010 50 0 GGAALP CN(Cc1ccco1)C(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000071774949 211061688 /nfs/dbraw/zinc/06/16/88/211061688.db2.gz KGXUPFUBFBPSJI-FQEVSTJZSA-N 2 2 396.535 3.010 50 0 GGAALP COc1cccc(C[N@@H+]2CCO[C@@H](c3ccc(F)cc3)C2)c1OCC[NH+](C)C ZINC000071762405 211061057 /nfs/dbraw/zinc/06/10/57/211061057.db2.gz IXIXIZCLWDTXSQ-OAQYLSRUSA-N 2 2 388.483 3.348 50 0 GGAALP COc1cccc(C[N@H+]2CCO[C@@H](c3ccc(F)cc3)C2)c1OCC[NH+](C)C ZINC000071762405 211061059 /nfs/dbraw/zinc/06/10/59/211061059.db2.gz IXIXIZCLWDTXSQ-OAQYLSRUSA-N 2 2 388.483 3.348 50 0 GGAALP CCC1(CNC(=O)[C@@H]2CCC[N@@H+](C3CC[NH+](Cc4cccnc4)CC3)C2)CCC1 ZINC000071762578 211060035 /nfs/dbraw/zinc/06/00/35/211060035.db2.gz ZASAIIGFFPUSEB-OAQYLSRUSA-N 2 2 398.595 3.455 50 0 GGAALP CCC1(CNC(=O)[C@@H]2CCC[N@H+](C3CC[NH+](Cc4cccnc4)CC3)C2)CCC1 ZINC000071762578 211060040 /nfs/dbraw/zinc/06/00/40/211060040.db2.gz ZASAIIGFFPUSEB-OAQYLSRUSA-N 2 2 398.595 3.455 50 0 GGAALP CC(C)C1(CNC(=O)[C@@H]2CCC[N@@H+](C3CC[NH+](Cc4ccncc4)CC3)C2)CC1 ZINC000071762864 211059845 /nfs/dbraw/zinc/05/98/45/211059845.db2.gz SAJBGHGJGCEWHF-OAQYLSRUSA-N 2 2 398.595 3.310 50 0 GGAALP CC(C)C1(CNC(=O)[C@@H]2CCC[N@H+](C3CC[NH+](Cc4ccncc4)CC3)C2)CC1 ZINC000071762864 211059850 /nfs/dbraw/zinc/05/98/50/211059850.db2.gz SAJBGHGJGCEWHF-OAQYLSRUSA-N 2 2 398.595 3.310 50 0 GGAALP CCC(CC)N(C)C(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000071746377 211054383 /nfs/dbraw/zinc/05/43/83/211054383.db2.gz LKJBBFMWXRIRMR-HXUWFJFHSA-N 2 2 386.584 3.405 50 0 GGAALP CCC(CC)N(C)C(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000071746377 211054386 /nfs/dbraw/zinc/05/43/86/211054386.db2.gz LKJBBFMWXRIRMR-HXUWFJFHSA-N 2 2 386.584 3.405 50 0 GGAALP CCC1(CNC(=O)[C@H]2CCC[N@@H+](C3CC[NH+](Cc4cccnc4)CC3)C2)CC1 ZINC000071748311 211053017 /nfs/dbraw/zinc/05/30/17/211053017.db2.gz LBSXLBVJCDEBQM-FQEVSTJZSA-N 2 2 384.568 3.064 50 0 GGAALP CCC1(CNC(=O)[C@H]2CCC[N@H+](C3CC[NH+](Cc4cccnc4)CC3)C2)CC1 ZINC000071748311 211053022 /nfs/dbraw/zinc/05/30/22/211053022.db2.gz LBSXLBVJCDEBQM-FQEVSTJZSA-N 2 2 384.568 3.064 50 0 GGAALP O=C([C@@H]1CCC[N@@H+](C2CC[NH+](C/C=C/c3ccccc3)CC2)C1)N1CCCC1 ZINC000071721527 211051558 /nfs/dbraw/zinc/05/15/58/211051558.db2.gz UMAGKMJHFSTCPG-MOVYNIQHSA-N 2 2 381.564 3.499 50 0 GGAALP O=C([C@@H]1CCC[N@H+](C2CC[NH+](C/C=C/c3ccccc3)CC2)C1)N1CCCC1 ZINC000071721527 211051561 /nfs/dbraw/zinc/05/15/61/211051561.db2.gz UMAGKMJHFSTCPG-MOVYNIQHSA-N 2 2 381.564 3.499 50 0 GGAALP CC(C)[C@H]1C[N@@H+](C2CCN(C(=O)c3ccccn3)CC2)CCC[NH+]1CC1CC1 ZINC000071752077 211055516 /nfs/dbraw/zinc/05/55/16/211055516.db2.gz BVRFLXNYNDAOOG-JOCHJYFZSA-N 2 2 384.568 3.129 50 0 GGAALP CC(C)[C@H]1C[N@H+](C2CCN(C(=O)c3ccccn3)CC2)CCC[NH+]1CC1CC1 ZINC000071752077 211055518 /nfs/dbraw/zinc/05/55/18/211055518.db2.gz BVRFLXNYNDAOOG-JOCHJYFZSA-N 2 2 384.568 3.129 50 0 GGAALP CC(C)[C@H]1C[NH+](C2CCN(C(=O)c3ccccn3)CC2)CCC[N@@H+]1CC1CC1 ZINC000071752077 211055522 /nfs/dbraw/zinc/05/55/22/211055522.db2.gz BVRFLXNYNDAOOG-JOCHJYFZSA-N 2 2 384.568 3.129 50 0 GGAALP CC(C)[C@H]1C[NH+](C2CCN(C(=O)c3ccccn3)CC2)CCC[N@H+]1CC1CC1 ZINC000071752077 211055523 /nfs/dbraw/zinc/05/55/23/211055523.db2.gz BVRFLXNYNDAOOG-JOCHJYFZSA-N 2 2 384.568 3.129 50 0 GGAALP CC(C)N(CC1CC1)C(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000071440501 211049273 /nfs/dbraw/zinc/04/92/73/211049273.db2.gz UKRHJXDCIWRFJY-JOCHJYFZSA-N 2 2 398.595 3.405 50 0 GGAALP CC(C)N(CC1CC1)C(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000071440501 211049278 /nfs/dbraw/zinc/04/92/78/211049278.db2.gz UKRHJXDCIWRFJY-JOCHJYFZSA-N 2 2 398.595 3.405 50 0 GGAALP O=C(NCc1cccnc1)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3cccs3)CC2)C1 ZINC000071388772 211047194 /nfs/dbraw/zinc/04/71/94/211047194.db2.gz CFMFYRCMCYRILC-LJQANCHMSA-N 2 2 398.576 3.136 50 0 GGAALP O=C(NCc1cccnc1)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3cccs3)CC2)C1 ZINC000071388772 211047197 /nfs/dbraw/zinc/04/71/97/211047197.db2.gz CFMFYRCMCYRILC-LJQANCHMSA-N 2 2 398.576 3.136 50 0 GGAALP C[N@@H+]1CCCNC(=O)C12CC[NH+](Cc1cccc3c4ccccc4oc31)CC2 ZINC000067966995 211031790 /nfs/dbraw/zinc/03/17/90/211031790.db2.gz QQJKNCNUYZTKSW-UHFFFAOYSA-N 2 2 377.488 3.372 50 0 GGAALP C[N@H+]1CCCNC(=O)C12CC[NH+](Cc1cccc3c4ccccc4oc31)CC2 ZINC000067966995 211031791 /nfs/dbraw/zinc/03/17/91/211031791.db2.gz QQJKNCNUYZTKSW-UHFFFAOYSA-N 2 2 377.488 3.372 50 0 GGAALP Cc1ccc2cc(C[N@@H+](Cc3ccncc3)C3CC[NH+](C)CC3)c(=O)[nH]c2c1 ZINC000067785046 211020803 /nfs/dbraw/zinc/02/08/03/211020803.db2.gz DHBHLTXBFONHSP-UHFFFAOYSA-N 2 2 376.504 3.328 50 0 GGAALP Cc1ccc2cc(C[N@H+](Cc3ccncc3)C3CC[NH+](C)CC3)c(=O)[nH]c2c1 ZINC000067785046 211020808 /nfs/dbraw/zinc/02/08/08/211020808.db2.gz DHBHLTXBFONHSP-UHFFFAOYSA-N 2 2 376.504 3.328 50 0 GGAALP C[NH+]1CCC([N@@H+]2CCC[C@@H](NC(=O)C(c3ccccc3)c3ccccc3)C2)CC1 ZINC000067676850 211015816 /nfs/dbraw/zinc/01/58/16/211015816.db2.gz RZYHWEVKBBPNSH-JOCHJYFZSA-N 2 2 391.559 3.493 50 0 GGAALP C[NH+]1CCC([N@H+]2CCC[C@@H](NC(=O)C(c3ccccc3)c3ccccc3)C2)CC1 ZINC000067676850 211015820 /nfs/dbraw/zinc/01/58/20/211015820.db2.gz RZYHWEVKBBPNSH-JOCHJYFZSA-N 2 2 391.559 3.493 50 0 GGAALP Cc1ccc(C[N@@H+]2CCC[C@@H](N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)C2)o1 ZINC000020995704 210373486 /nfs/dbraw/zinc/37/34/86/210373486.db2.gz YGXJQIBOWATFGF-HXUWFJFHSA-N 2 2 397.519 3.099 50 0 GGAALP Cc1ccc(C[N@H+]2CCC[C@@H](N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)C2)o1 ZINC000020995704 210373490 /nfs/dbraw/zinc/37/34/90/210373490.db2.gz YGXJQIBOWATFGF-HXUWFJFHSA-N 2 2 397.519 3.099 50 0 GGAALP O=C(NC1CCCCC1)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000020540245 210346806 /nfs/dbraw/zinc/34/68/06/210346806.db2.gz SIIQZFJLLXWCKO-HXUWFJFHSA-N 2 2 384.568 3.207 50 0 GGAALP O=C(NC1CCCCC1)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000020540245 210346810 /nfs/dbraw/zinc/34/68/10/210346810.db2.gz SIIQZFJLLXWCKO-HXUWFJFHSA-N 2 2 384.568 3.207 50 0 GGAALP CC(C)[NH+]1CCC([N@@H+]2CCN(Cc3c(F)cccc3Cl)C[C@@H]2CCO)CC1 ZINC000020418593 210332932 /nfs/dbraw/zinc/33/29/32/210332932.db2.gz SAIYTMOPMHWBAE-SFHVURJKSA-N 2 2 397.966 3.221 50 0 GGAALP CC(C)[NH+]1CCC([N@H+]2CCN(Cc3c(F)cccc3Cl)C[C@@H]2CCO)CC1 ZINC000020418593 210332934 /nfs/dbraw/zinc/33/29/34/210332934.db2.gz SAIYTMOPMHWBAE-SFHVURJKSA-N 2 2 397.966 3.221 50 0 GGAALP O[C@H]1[C@H](n2cc[nH+]c2)c2ccccc2C12CC[NH+](C/C=C/c1ccco1)CC2 ZINC000020203127 210321753 /nfs/dbraw/zinc/32/17/53/210321753.db2.gz KRZLZPFBIDYHAK-IDZOVPKWSA-N 2 2 375.472 3.487 50 0 GGAALP CC[NH+](CC)CCn1c2ccccc2n(C[C@H](O)COc2ccc(C)cc2)c1=[NH2+] ZINC000020064473 210314814 /nfs/dbraw/zinc/31/48/14/210314814.db2.gz CHJWOVMZNMBIBB-IBGZPJMESA-N 2 2 396.535 3.012 50 0 GGAALP COc1ccc(C[N@@H+]2CCC[C@H](c3nnc(C[NH+]4CCCCC4)n3C)C2)cc1 ZINC000426397670 533558858 /nfs/dbraw/zinc/55/88/58/533558858.db2.gz YLMZYBDGAFDJJK-IBGZPJMESA-N 2 2 383.540 3.189 50 0 GGAALP COc1ccc(C[N@H+]2CCC[C@H](c3nnc(C[NH+]4CCCCC4)n3C)C2)cc1 ZINC000426397670 533558862 /nfs/dbraw/zinc/55/88/62/533558862.db2.gz YLMZYBDGAFDJJK-IBGZPJMESA-N 2 2 383.540 3.189 50 0 GGAALP Cc1[nH+]cc(C[NH+]2CCC3(CC2)Nc2ccccc2N(CC2CCC2)C3=O)n1C ZINC000063832587 136156464 /nfs/dbraw/zinc/15/64/64/136156464.db2.gz GJMIACRMERLQCP-UHFFFAOYSA-N 2 2 393.535 3.322 50 0 GGAALP c1cn(-c2ccc(N3CCC([NH2+]C[C@@H]4COc5ccccc5O4)CC3)cc2)c[nH+]1 ZINC000063872110 136156553 /nfs/dbraw/zinc/15/65/53/136156553.db2.gz NZYSHJAALNXONO-OAQYLSRUSA-N 2 2 390.487 3.271 50 0 GGAALP Cc1cc(N2CCC[C@]3(CCC(=O)N(CC[NH+](C)C)C3)C2)[nH+]c2cc(F)ccc12 ZINC000072408281 136169511 /nfs/dbraw/zinc/16/95/11/136169511.db2.gz QLKNAPRHCIQVDN-QHCPKHFHSA-N 2 2 398.526 3.453 50 0 GGAALP O=c1oc2ccccc2n1CC[N@@H+]1CCCC12CCN(c1cccc[nH+]1)CC2 ZINC000072429542 136170149 /nfs/dbraw/zinc/17/01/49/136170149.db2.gz IZHFYLIPPLPLQS-UHFFFAOYSA-N 2 2 378.476 3.125 50 0 GGAALP O=c1oc2ccccc2n1CC[N@H+]1CCCC12CCN(c1cccc[nH+]1)CC2 ZINC000072429542 136170150 /nfs/dbraw/zinc/17/01/50/136170150.db2.gz IZHFYLIPPLPLQS-UHFFFAOYSA-N 2 2 378.476 3.125 50 0 GGAALP Cc1noc([C@H](C)[NH2+]C2CCN(c3cc(C)[nH+]c(-c4ccccc4)n3)CC2)n1 ZINC000096141754 136184336 /nfs/dbraw/zinc/18/43/36/136184336.db2.gz ULFHNPMWKKMWIZ-HNNXBMFYSA-N 2 2 378.480 3.463 50 0 GGAALP Cc1noc([C@@H](C)[NH2+]C2CCN(c3cc(C)[nH+]c(-c4ccccc4)n3)CC2)n1 ZINC000096141755 136184387 /nfs/dbraw/zinc/18/43/87/136184387.db2.gz ULFHNPMWKKMWIZ-OAHLLOKOSA-N 2 2 378.480 3.463 50 0 GGAALP Cc1ccc(N2CCC([NH+]3CCC(c4nnc(C[NH+](C)C)n4C)CC3)CC2)cc1 ZINC000096166578 136184929 /nfs/dbraw/zinc/18/49/29/136184929.db2.gz CMJGFTPNMAZTMP-UHFFFAOYSA-N 2 2 396.583 3.034 50 0 GGAALP Cc1ccc2cc(C[NH+]3[C@@H]4CC[C@H]3C[N@H+](C)CC4)c(N3CCOCC3)nc2c1 ZINC000215114784 136202874 /nfs/dbraw/zinc/20/28/74/136202874.db2.gz CQXAHKAXHNTLOU-RTWAWAEBSA-N 2 2 380.536 3.048 50 0 GGAALP Cc1ccc2cc(C[NH+]3[C@@H]4CC[C@H]3C[N@@H+](C)CC4)c(N3CCOCC3)nc2c1 ZINC000215114784 136202875 /nfs/dbraw/zinc/20/28/75/136202875.db2.gz CQXAHKAXHNTLOU-RTWAWAEBSA-N 2 2 380.536 3.048 50 0 GGAALP Cc1ccc2cc(C[N@@H+]3[C@@H]4CC[C@H]3C[NH+](C)CC4)c(N3CCOCC3)nc2c1 ZINC000215114784 136202876 /nfs/dbraw/zinc/20/28/76/136202876.db2.gz CQXAHKAXHNTLOU-RTWAWAEBSA-N 2 2 380.536 3.048 50 0 GGAALP Cc1ccc2cc(C[N@H+]3[C@@H]4CC[C@H]3C[NH+](C)CC4)c(N3CCOCC3)nc2c1 ZINC000215114784 136202877 /nfs/dbraw/zinc/20/28/77/136202877.db2.gz CQXAHKAXHNTLOU-RTWAWAEBSA-N 2 2 380.536 3.048 50 0 GGAALP Cn1c(C[NH+]2CCCCCC2)cc(=O)c(O)c1C[N@@H+]1CCc2ccccc2C1 ZINC000079497386 527054946 /nfs/dbraw/zinc/05/49/46/527054946.db2.gz DPKQUILDFYCIAL-UHFFFAOYSA-N 2 2 381.520 3.025 50 0 GGAALP Cn1c(C[NH+]2CCCCCC2)cc(=O)c(O)c1C[N@H+]1CCc2ccccc2C1 ZINC000079497386 527054954 /nfs/dbraw/zinc/05/49/54/527054954.db2.gz DPKQUILDFYCIAL-UHFFFAOYSA-N 2 2 381.520 3.025 50 0 GGAALP CC(C)N(C)C(=O)C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc(F)c(F)c1)C2 ZINC000426423681 528797204 /nfs/dbraw/zinc/79/72/04/528797204.db2.gz PKLMYWPLKVIYDK-OAQYLSRUSA-N 2 2 379.495 3.120 50 0 GGAALP CC(C)N(C)C(=O)C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc(F)c(F)c1)C2 ZINC000426423681 528797208 /nfs/dbraw/zinc/79/72/08/528797208.db2.gz PKLMYWPLKVIYDK-OAQYLSRUSA-N 2 2 379.495 3.120 50 0 GGAALP CC(C)N(C)C(=O)C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccc(F)c(F)c1)C2 ZINC000426423681 528797216 /nfs/dbraw/zinc/79/72/16/528797216.db2.gz PKLMYWPLKVIYDK-OAQYLSRUSA-N 2 2 379.495 3.120 50 0 GGAALP CC(C)N(C)C(=O)C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccc(F)c(F)c1)C2 ZINC000426423681 528797220 /nfs/dbraw/zinc/79/72/20/528797220.db2.gz PKLMYWPLKVIYDK-OAQYLSRUSA-N 2 2 379.495 3.120 50 0 GGAALP C[NH+](C)Cc1ccc(N2CCC[C@H](c3[nH+]ccn3Cc3ccccn3)C2)nc1 ZINC000095500995 536013409 /nfs/dbraw/zinc/01/34/09/536013409.db2.gz LIKHLKYRJJFLOX-IBGZPJMESA-N 2 2 376.508 3.167 50 0 GGAALP C[NH+](C)Cc1ccc(N2CCC[C@H](c3[nH+]ccn3Cc3cccnc3)C2)nc1 ZINC000091254859 536013580 /nfs/dbraw/zinc/01/35/80/536013580.db2.gz ONOBTPHHNTZAQT-FQEVSTJZSA-N 2 2 376.508 3.167 50 0 GGAALP CC(C)[NH+]1CCC(N2CC[N@H+](Cc3ccccc3Cl)C[C@H]2CCO)CC1 ZINC000104416805 570258467 /nfs/dbraw/zinc/25/84/67/570258467.db2.gz FCQXGZXGMXTCGO-HXUWFJFHSA-N 2 2 379.976 3.081 50 0 GGAALP CC(C)[NH+]1CCC(N2CC[N@@H+](Cc3ccccc3Cl)C[C@H]2CCO)CC1 ZINC000104416805 570258469 /nfs/dbraw/zinc/25/84/69/570258469.db2.gz FCQXGZXGMXTCGO-HXUWFJFHSA-N 2 2 379.976 3.081 50 0 GGAALP CC(C)[NH+]1CCC([N@@H+]2CCN(Cc3ccccc3Cl)C[C@H]2CCO)CC1 ZINC000104416805 570258472 /nfs/dbraw/zinc/25/84/72/570258472.db2.gz FCQXGZXGMXTCGO-HXUWFJFHSA-N 2 2 379.976 3.081 50 0 GGAALP CC(C)[NH+]1CCC([N@H+]2CCN(Cc3ccccc3Cl)C[C@H]2CCO)CC1 ZINC000104416805 570258473 /nfs/dbraw/zinc/25/84/73/570258473.db2.gz FCQXGZXGMXTCGO-HXUWFJFHSA-N 2 2 379.976 3.081 50 0 GGAALP CC(C)[NH+]1CCC(N2CC[N@H+](Cc3ccc(Cl)cc3)C[C@H]2CCO)CC1 ZINC000104456386 570258617 /nfs/dbraw/zinc/25/86/17/570258617.db2.gz MDLWSWSDMXURMD-OAQYLSRUSA-N 2 2 379.976 3.081 50 0 GGAALP CC(C)[NH+]1CCC(N2CC[N@@H+](Cc3ccc(Cl)cc3)C[C@H]2CCO)CC1 ZINC000104456386 570258620 /nfs/dbraw/zinc/25/86/20/570258620.db2.gz MDLWSWSDMXURMD-OAQYLSRUSA-N 2 2 379.976 3.081 50 0 GGAALP CC(C)[NH+]1CCC([N@@H+]2CCN(Cc3ccc(Cl)cc3)C[C@H]2CCO)CC1 ZINC000104456386 570258624 /nfs/dbraw/zinc/25/86/24/570258624.db2.gz MDLWSWSDMXURMD-OAQYLSRUSA-N 2 2 379.976 3.081 50 0 GGAALP CC(C)[NH+]1CCC([N@H+]2CCN(Cc3ccc(Cl)cc3)C[C@H]2CCO)CC1 ZINC000104456386 570258625 /nfs/dbraw/zinc/25/86/25/570258625.db2.gz MDLWSWSDMXURMD-OAQYLSRUSA-N 2 2 379.976 3.081 50 0 GGAALP CC(C)[NH+]1CCC(N2CC[N@H+](Cc3cccc(Cl)c3)C[C@H]2CCO)CC1 ZINC000104536545 570259948 /nfs/dbraw/zinc/25/99/48/570259948.db2.gz JJSYPDJFZLCAIU-OAQYLSRUSA-N 2 2 379.976 3.081 50 0 GGAALP CC(C)[NH+]1CCC(N2CC[N@@H+](Cc3cccc(Cl)c3)C[C@H]2CCO)CC1 ZINC000104536545 570259953 /nfs/dbraw/zinc/25/99/53/570259953.db2.gz JJSYPDJFZLCAIU-OAQYLSRUSA-N 2 2 379.976 3.081 50 0 GGAALP CC(C)[NH+]1CCC([N@@H+]2CCN(Cc3cccc(Cl)c3)C[C@H]2CCO)CC1 ZINC000104536545 570259955 /nfs/dbraw/zinc/25/99/55/570259955.db2.gz JJSYPDJFZLCAIU-OAQYLSRUSA-N 2 2 379.976 3.081 50 0 GGAALP CC(C)[NH+]1CCC([N@H+]2CCN(Cc3cccc(Cl)c3)C[C@H]2CCO)CC1 ZINC000104536545 570259958 /nfs/dbraw/zinc/25/99/58/570259958.db2.gz JJSYPDJFZLCAIU-OAQYLSRUSA-N 2 2 379.976 3.081 50 0 GGAALP O=C(NCC1CC[NH+](Cc2ccccc2)CC1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000263937663 570261591 /nfs/dbraw/zinc/26/15/91/570261591.db2.gz FOKRPZGDGUPEMI-HXUWFJFHSA-N 2 2 381.524 3.211 50 0 GGAALP CC(C)[NH+]1CCC(N2CC[N@H+](Cc3ccccc3Cl)C[C@@H]2CCO)CC1 ZINC000022919927 570335685 /nfs/dbraw/zinc/33/56/85/570335685.db2.gz FCQXGZXGMXTCGO-FQEVSTJZSA-N 2 2 379.976 3.081 50 0 GGAALP CC(C)[NH+]1CCC(N2CC[N@@H+](Cc3ccccc3Cl)C[C@@H]2CCO)CC1 ZINC000022919927 570335687 /nfs/dbraw/zinc/33/56/87/570335687.db2.gz FCQXGZXGMXTCGO-FQEVSTJZSA-N 2 2 379.976 3.081 50 0 GGAALP CC(C)[NH+]1CCC([N@@H+]2CCN(Cc3ccccc3Cl)C[C@@H]2CCO)CC1 ZINC000022919927 570335689 /nfs/dbraw/zinc/33/56/89/570335689.db2.gz FCQXGZXGMXTCGO-FQEVSTJZSA-N 2 2 379.976 3.081 50 0 GGAALP CC(C)[NH+]1CCC([N@H+]2CCN(Cc3ccccc3Cl)C[C@@H]2CCO)CC1 ZINC000022919927 570335691 /nfs/dbraw/zinc/33/56/91/570335691.db2.gz FCQXGZXGMXTCGO-FQEVSTJZSA-N 2 2 379.976 3.081 50 0 GGAALP COc1ccccc1N1CC[NH+](C2CC[NH+](C[C@@H]3C[C@@H]4C=C[C@H]3C4)CC2)CC1 ZINC000004140870 570359313 /nfs/dbraw/zinc/35/93/13/570359313.db2.gz YDPTYMYWKPPRFW-HKBOAZHASA-N 2 2 381.564 3.494 50 0 GGAALP Cc1[nH+]ccn1-c1cc(NCCNC(=O)Nc2cccc(Cl)c2C)[nH+]c(C)n1 ZINC000035598117 570400536 /nfs/dbraw/zinc/40/05/36/570400536.db2.gz RYQIHIITDQVFDQ-UHFFFAOYSA-N 2 2 399.886 3.475 50 0 GGAALP Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)[nH+]c(CC[NH+]2CCCC2)n3C)cc1 ZINC000005207251 570506495 /nfs/dbraw/zinc/50/64/95/570506495.db2.gz XKEIWZJPPFBGCS-UHFFFAOYSA-N 2 2 398.532 3.321 50 0 GGAALP Cc1[nH+]ccn1-c1cc(NCCNC(=O)Nc2ccc(C)cc2Cl)[nH+]cn1 ZINC000035598130 570555873 /nfs/dbraw/zinc/55/58/73/570555873.db2.gz HPVKFZCQOUYUJA-UHFFFAOYSA-N 2 2 385.859 3.166 50 0 GGAALP O=C(NC1CC1)[C@@H]1CCC[N@@H+](C2CC[NH+](C/C=C/c3ccc(F)cc3)CC2)C1 ZINC000011879370 570591335 /nfs/dbraw/zinc/59/13/35/570591335.db2.gz JBLYOORALHCRTA-VUQTYRPGSA-N 2 2 385.527 3.294 50 0 GGAALP O=C(NC1CC1)[C@@H]1CCC[N@H+](C2CC[NH+](C/C=C/c3ccc(F)cc3)CC2)C1 ZINC000011879370 570591340 /nfs/dbraw/zinc/59/13/40/570591340.db2.gz JBLYOORALHCRTA-VUQTYRPGSA-N 2 2 385.527 3.294 50 0 GGAALP COc1ccc(C2(C(=O)N[C@H]3CCC[N@@H+](C4CC[NH+](C)CC4)C3)CCCC2)cc1 ZINC000011956799 570595831 /nfs/dbraw/zinc/59/58/31/570595831.db2.gz XAGKBHDLXGPFAH-FQEVSTJZSA-N 2 2 399.579 3.182 50 0 GGAALP COc1ccc(C2(C(=O)N[C@H]3CCC[N@H+](C4CC[NH+](C)CC4)C3)CCCC2)cc1 ZINC000011956799 570595832 /nfs/dbraw/zinc/59/58/32/570595832.db2.gz XAGKBHDLXGPFAH-FQEVSTJZSA-N 2 2 399.579 3.182 50 0 GGAALP Cc1nc(C[N@@H+](C)Cc2ccccc2OC[C@H](O)C[NH+]2CCCCC2)cs1 ZINC000012027442 570599427 /nfs/dbraw/zinc/59/94/27/570599427.db2.gz GCXHTRVBVPKQRN-HXUWFJFHSA-N 2 2 389.565 3.309 50 0 GGAALP Cc1nc(C[N@H+](C)Cc2ccccc2OC[C@H](O)C[NH+]2CCCCC2)cs1 ZINC000012027442 570599432 /nfs/dbraw/zinc/59/94/32/570599432.db2.gz GCXHTRVBVPKQRN-HXUWFJFHSA-N 2 2 389.565 3.309 50 0 GGAALP Cc1nc(C[N@@H+](C)Cc2ccccc2OC[C@@H](O)C[NH+]2CCCCC2)cs1 ZINC000012027436 570599568 /nfs/dbraw/zinc/59/95/68/570599568.db2.gz GCXHTRVBVPKQRN-FQEVSTJZSA-N 2 2 389.565 3.309 50 0 GGAALP Cc1nc(C[N@H+](C)Cc2ccccc2OC[C@@H](O)C[NH+]2CCCCC2)cs1 ZINC000012027436 570599569 /nfs/dbraw/zinc/59/95/69/570599569.db2.gz GCXHTRVBVPKQRN-FQEVSTJZSA-N 2 2 389.565 3.309 50 0 GGAALP Cc1[nH+]cc(C[N@@H+]2CCC[C@@H]2C(=O)Nc2ccc(-c3cscn3)cc2)n1C ZINC000012302926 570637237 /nfs/dbraw/zinc/63/72/37/570637237.db2.gz DORGWZSFEIPNAE-LJQANCHMSA-N 2 2 381.505 3.455 50 0 GGAALP Cc1[nH+]cc(C[N@H+]2CCC[C@@H]2C(=O)Nc2ccc(-c3cscn3)cc2)n1C ZINC000012302926 570637239 /nfs/dbraw/zinc/63/72/39/570637239.db2.gz DORGWZSFEIPNAE-LJQANCHMSA-N 2 2 381.505 3.455 50 0 GGAALP C[NH+](C)C[C@@](C)(O)c1ccc2c(c1)C[N@@H+](Cc1ccc(F)c(F)c1)CCO2 ZINC000055036349 570679753 /nfs/dbraw/zinc/67/97/53/570679753.db2.gz WQJTYYWMSZFEFH-OAQYLSRUSA-N 2 2 376.447 3.129 50 0 GGAALP C[NH+](C)C[C@@](C)(O)c1ccc2c(c1)C[N@H+](Cc1ccc(F)c(F)c1)CCO2 ZINC000055036349 570679754 /nfs/dbraw/zinc/67/97/54/570679754.db2.gz WQJTYYWMSZFEFH-OAQYLSRUSA-N 2 2 376.447 3.129 50 0 GGAALP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccccc1C=Cc1ccc2cccc(O)c2n1 ZINC000055100393 570682972 /nfs/dbraw/zinc/68/29/72/570682972.db2.gz BHRPSPLILKUKAO-RQMBKDMJSA-N 2 2 399.454 3.342 50 0 GGAALP CSc1cccc(C[NH+]2CCC([N@@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)c1 ZINC000012587900 570686100 /nfs/dbraw/zinc/68/61/00/570686100.db2.gz ZFFPVENEISACNP-GOSISDBHSA-N 2 2 387.593 3.364 50 0 GGAALP CSc1cccc(C[NH+]2CCC([N@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)c1 ZINC000012587900 570686103 /nfs/dbraw/zinc/68/61/03/570686103.db2.gz ZFFPVENEISACNP-GOSISDBHSA-N 2 2 387.593 3.364 50 0 GGAALP CCCCc1[nH]c(C[NH+]2CCC(CCC(=O)NC[C@H]3CCCO3)CC2)c[nH+]1 ZINC000055254361 570689392 /nfs/dbraw/zinc/68/93/92/570689392.db2.gz HHUUGSKPZUWMHX-LJQANCHMSA-N 2 2 376.545 3.040 50 0 GGAALP COc1cccc(C[N@@H+]2CCC[C@@H]2c2nonc2C)c1OCCCn1cc[nH+]c1 ZINC000055385653 570693829 /nfs/dbraw/zinc/69/38/29/570693829.db2.gz ZBLOHVJBRMVQLE-GOSISDBHSA-N 2 2 397.479 3.389 50 0 GGAALP COc1cccc(C[N@H+]2CCC[C@@H]2c2nonc2C)c1OCCCn1cc[nH+]c1 ZINC000055385653 570693833 /nfs/dbraw/zinc/69/38/33/570693833.db2.gz ZBLOHVJBRMVQLE-GOSISDBHSA-N 2 2 397.479 3.389 50 0 GGAALP O=C(C[NH+]1CCN(c2ccccc2)CC1)Nc1c2c([nH+]c3c1CCCC3)CCC2 ZINC000055436394 570695450 /nfs/dbraw/zinc/69/54/50/570695450.db2.gz ODFKPEKHFSQEDM-UHFFFAOYSA-N 2 2 390.531 3.210 50 0 GGAALP C[N@H+](Cc1nnc([C@H]2C[C@@H]([NH3+])C2)n1C1CC1)Cc1ccccc1C(F)(F)F ZINC000244734679 570695763 /nfs/dbraw/zinc/69/57/63/570695763.db2.gz NJVBELPZLCXQJB-OKILXGFUSA-N 2 2 379.430 3.469 50 0 GGAALP C[N@@H+](Cc1nnc([C@H]2C[C@@H]([NH3+])C2)n1C1CC1)Cc1ccccc1C(F)(F)F ZINC000244734679 570695767 /nfs/dbraw/zinc/69/57/67/570695767.db2.gz NJVBELPZLCXQJB-OKILXGFUSA-N 2 2 379.430 3.469 50 0 GGAALP CCN(CC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)CCC(=O)c1ccccc1 ZINC000012701841 570698958 /nfs/dbraw/zinc/69/89/58/570698958.db2.gz KZFHHZLZDDXBNE-UHFFFAOYSA-N 2 2 399.579 3.304 50 0 GGAALP Cc1[nH+]ccn1C[C@H](C)[NH+]1CCC2(CN(CCc3ccccc3)C(=O)O2)CC1 ZINC000072476883 570882412 /nfs/dbraw/zinc/88/24/12/570882412.db2.gz DSWUZADQTQMWMA-SFHVURJKSA-N 2 2 382.508 3.110 50 0 GGAALP Cc1c[nH]c(CN(C)C(=O)NC[C@H](c2ccc(Cl)cc2)[NH+]2CCCC2)[nH+]1 ZINC000534586386 570904783 /nfs/dbraw/zinc/90/47/83/570904783.db2.gz CDRCLXOSQVSFSH-QGZVFWFLSA-N 2 2 375.904 3.350 50 0 GGAALP CNc1ccc(-c2cccc(C(=O)N(C)Cc3ccc4c(c3)C[N@@H+](C)C4)c2)c[nH+]1 ZINC000534590870 570906473 /nfs/dbraw/zinc/90/64/73/570906473.db2.gz OPFMRJMKSGRKJP-UHFFFAOYSA-N 2 2 386.499 3.430 50 0 GGAALP CNc1ccc(-c2cccc(C(=O)N(C)Cc3ccc4c(c3)C[N@H+](C)C4)c2)c[nH+]1 ZINC000534590870 570906477 /nfs/dbraw/zinc/90/64/77/570906477.db2.gz OPFMRJMKSGRKJP-UHFFFAOYSA-N 2 2 386.499 3.430 50 0 GGAALP NC(=O)CCn1cc(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)c2ccccc21 ZINC000055393388 1406947005 /nfs/dbraw/zinc/94/70/05/1406947005.db2.gz JTTWJTMKJRSNSH-OAQYLSRUSA-N 2 2 387.487 3.244 50 0 GGAALP COCC[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cnn(-c4ccc(Cl)cc4)c3)C2)C1 ZINC000012702020 1399054136 /nfs/dbraw/zinc/05/41/36/1399054136.db2.gz HGLOUMBKNWBSJR-OAQYLSRUSA-N 2 2 388.943 3.460 50 0 GGAALP COCC[N@H+]1CCC[C@@]2(CC[NH+](Cc3cnn(-c4ccc(Cl)cc4)c3)C2)C1 ZINC000012702020 1399054141 /nfs/dbraw/zinc/05/41/41/1399054141.db2.gz HGLOUMBKNWBSJR-OAQYLSRUSA-N 2 2 388.943 3.460 50 0 GGAALP COCC[NH+]1CCC[C@@]2(CC[N@H+](Cc3cnn(-c4ccc(Cl)cc4)c3)C2)C1 ZINC000012702020 1399054148 /nfs/dbraw/zinc/05/41/48/1399054148.db2.gz HGLOUMBKNWBSJR-OAQYLSRUSA-N 2 2 388.943 3.460 50 0 GGAALP COCC[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cnn(-c4ccc(Cl)cc4)c3)C2)C1 ZINC000012702020 1399054150 /nfs/dbraw/zinc/05/41/50/1399054150.db2.gz HGLOUMBKNWBSJR-OAQYLSRUSA-N 2 2 388.943 3.460 50 0 GGAALP COc1cccc(C[N@@H+]2CCC[C@@]3(CC[NH+](Cc4cnn(C)c4C)C3)C2)c1OC ZINC000015074419 1399136660 /nfs/dbraw/zinc/13/66/60/1399136660.db2.gz AWBSNXLYHWCNNK-HSZRJFAPSA-N 2 2 398.551 3.234 50 0 GGAALP COc1cccc(C[N@H+]2CCC[C@@]3(CC[NH+](Cc4cnn(C)c4C)C3)C2)c1OC ZINC000015074419 1399136663 /nfs/dbraw/zinc/13/66/63/1399136663.db2.gz AWBSNXLYHWCNNK-HSZRJFAPSA-N 2 2 398.551 3.234 50 0 GGAALP COc1cccc(C[NH+]2CCC[C@@]3(CC[N@H+](Cc4cnn(C)c4C)C3)C2)c1OC ZINC000015074419 1399136666 /nfs/dbraw/zinc/13/66/66/1399136666.db2.gz AWBSNXLYHWCNNK-HSZRJFAPSA-N 2 2 398.551 3.234 50 0 GGAALP COc1cccc(C[NH+]2CCC[C@@]3(CC[N@@H+](Cc4cnn(C)c4C)C3)C2)c1OC ZINC000015074419 1399136669 /nfs/dbraw/zinc/13/66/69/1399136669.db2.gz AWBSNXLYHWCNNK-HSZRJFAPSA-N 2 2 398.551 3.234 50 0 GGAALP C[NH+]1CCC([N@@H+]2CCC[C@H](NC(=O)c3ccc4cccc(Cl)c4n3)C2)CC1 ZINC000020207473 1399343409 /nfs/dbraw/zinc/34/34/09/1399343409.db2.gz STTYNTMUXOKOMU-INIZCTEOSA-N 2 2 386.927 3.177 50 0 GGAALP C[NH+]1CCC([N@H+]2CCC[C@H](NC(=O)c3ccc4cccc(Cl)c4n3)C2)CC1 ZINC000020207473 1399343412 /nfs/dbraw/zinc/34/34/12/1399343412.db2.gz STTYNTMUXOKOMU-INIZCTEOSA-N 2 2 386.927 3.177 50 0 GGAALP Cn1c(C[NH+]2CCCC2)nnc1[C@@H]1CCC[N@H+](C/C=C/c2ccc(F)cc2)C1 ZINC000426551956 231241574 /nfs/dbraw/zinc/24/15/74/231241574.db2.gz IYNUTPAIPYOTDB-FHHGHWCOSA-N 2 2 383.515 3.443 50 0 GGAALP Cn1c(C[NH+]2CCCC2)nnc1[C@@H]1CCC[N@@H+](C/C=C/c2ccc(F)cc2)C1 ZINC000426551956 231241578 /nfs/dbraw/zinc/24/15/78/231241578.db2.gz IYNUTPAIPYOTDB-FHHGHWCOSA-N 2 2 383.515 3.443 50 0 GGAALP CCc1ccc(C[N@@H+]2CCc3c(C(=O)N4CCC[C@H](C[NH3+])C4)csc3C2)nc1 ZINC000426386982 529642940 /nfs/dbraw/zinc/64/29/40/529642940.db2.gz 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GGAALP CCc1ccc(C[N@H+]2CCc3c(C(=O)N4CC[NH2+][C@@H](CC)C4)csc3C2)nc1 ZINC000426403529 529643091 /nfs/dbraw/zinc/64/30/91/529643091.db2.gz PLIGNULGQZMIQK-KRWDZBQOSA-N 2 2 398.576 3.088 50 0 GGAALP CCc1ccc(C[N@@H+]2CCc3c(C(=O)N4CC[NH2+][C@@H](CC)C4)csc3C2)nc1 ZINC000426403529 529643092 /nfs/dbraw/zinc/64/30/92/529643092.db2.gz PLIGNULGQZMIQK-KRWDZBQOSA-N 2 2 398.576 3.088 50 0 GGAALP CCc1ccc(C[N@H+]2CCc3c(C(=O)N4CC[NH2+][C@H](CC)C4)csc3C2)nc1 ZINC000426403531 529643151 /nfs/dbraw/zinc/64/31/51/529643151.db2.gz PLIGNULGQZMIQK-QGZVFWFLSA-N 2 2 398.576 3.088 50 0 GGAALP CCc1ccc(C[N@@H+]2CCc3c(C(=O)N4CC[NH2+][C@H](CC)C4)csc3C2)nc1 ZINC000426403531 529643153 /nfs/dbraw/zinc/64/31/53/529643153.db2.gz PLIGNULGQZMIQK-QGZVFWFLSA-N 2 2 398.576 3.088 50 0 GGAALP CCc1ccc(C[N@@H+]2CCc3c(C(=O)NC4CC[NH+](C)CC4)csc3C2)nc1 ZINC000426435259 529643364 /nfs/dbraw/zinc/64/33/64/529643364.db2.gz CCJIHANUPOIIPO-UHFFFAOYSA-N 2 2 398.576 3.088 50 0 GGAALP CCc1ccc(C[N@H+]2CCc3c(C(=O)NC4CC[NH+](C)CC4)csc3C2)nc1 ZINC000426435259 529643366 /nfs/dbraw/zinc/64/33/66/529643366.db2.gz CCJIHANUPOIIPO-UHFFFAOYSA-N 2 2 398.576 3.088 50 0 GGAALP CCc1ccc(C[N@@H+]2CCc3c(C(=O)N4CCC(C[NH3+])CC4)csc3C2)nc1 ZINC000426597323 529643638 /nfs/dbraw/zinc/64/36/38/529643638.db2.gz ZONKHOOOJUALKP-UHFFFAOYSA-N 2 2 398.576 3.075 50 0 GGAALP CCc1ccc(C[N@H+]2CCc3c(C(=O)N4CCC(C[NH3+])CC4)csc3C2)nc1 ZINC000426597323 529643642 /nfs/dbraw/zinc/64/36/42/529643642.db2.gz ZONKHOOOJUALKP-UHFFFAOYSA-N 2 2 398.576 3.075 50 0 GGAALP CCOc1ccc(CNc2[nH+]c3ccccc3n2CC[NH+]2CCOCC2)cc1 ZINC000000809671 212184368 /nfs/dbraw/zinc/18/43/68/212184368.db2.gz IFRGGXQXBWGKPH-UHFFFAOYSA-N 2 2 380.492 3.379 50 0 GGAALP O=C(NCc1ccccn1)C1CC[NH+](C2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000011754063 212078547 /nfs/dbraw/zinc/07/85/47/212078547.db2.gz JNMFNFGDBLUXLR-UHFFFAOYSA-N 2 2 398.576 3.136 50 0 GGAALP COCC[N@@H+](Cc1ccccn1)C[C@H]1CCC[NH+](C2Cc3ccccc3C2)C1 ZINC000011662729 221118893 /nfs/dbraw/zinc/11/88/93/221118893.db2.gz XXEMMYISHJZQBA-HXUWFJFHSA-N 2 2 379.548 3.409 50 0 GGAALP COCC[N@H+](Cc1ccccn1)C[C@H]1CCC[NH+](C2Cc3ccccc3C2)C1 ZINC000011662729 221118896 /nfs/dbraw/zinc/11/88/96/221118896.db2.gz XXEMMYISHJZQBA-HXUWFJFHSA-N 2 2 379.548 3.409 50 0 GGAALP COCC[NH+](Cc1ccccn1)C[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000011662729 221118898 /nfs/dbraw/zinc/11/88/98/221118898.db2.gz XXEMMYISHJZQBA-HXUWFJFHSA-N 2 2 379.548 3.409 50 0 GGAALP COCC[NH+](Cc1ccccn1)C[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000011662729 221118901 /nfs/dbraw/zinc/11/89/01/221118901.db2.gz XXEMMYISHJZQBA-HXUWFJFHSA-N 2 2 379.548 3.409 50 0 GGAALP COCC[N@@H+](Cc1ccccn1)C[C@@H]1CCC[NH+](C2Cc3ccccc3C2)C1 ZINC000011662728 221118930 /nfs/dbraw/zinc/11/89/30/221118930.db2.gz XXEMMYISHJZQBA-FQEVSTJZSA-N 2 2 379.548 3.409 50 0 GGAALP COCC[N@H+](Cc1ccccn1)C[C@@H]1CCC[NH+](C2Cc3ccccc3C2)C1 ZINC000011662728 221118933 /nfs/dbraw/zinc/11/89/33/221118933.db2.gz XXEMMYISHJZQBA-FQEVSTJZSA-N 2 2 379.548 3.409 50 0 GGAALP COCC[NH+](Cc1ccccn1)C[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000011662728 221118935 /nfs/dbraw/zinc/11/89/35/221118935.db2.gz XXEMMYISHJZQBA-FQEVSTJZSA-N 2 2 379.548 3.409 50 0 GGAALP COCC[NH+](Cc1ccccn1)C[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000011662728 221118936 /nfs/dbraw/zinc/11/89/36/221118936.db2.gz XXEMMYISHJZQBA-FQEVSTJZSA-N 2 2 379.548 3.409 50 0 GGAALP COCC[N@@H+](Cc1cccnc1)C[C@@H]1CCC[NH+](C2Cc3ccccc3C2)C1 ZINC000011667790 221119779 /nfs/dbraw/zinc/11/97/79/221119779.db2.gz IFSIYFOYSKGUSJ-NRFANRHFSA-N 2 2 379.548 3.409 50 0 GGAALP COCC[N@H+](Cc1cccnc1)C[C@@H]1CCC[NH+](C2Cc3ccccc3C2)C1 ZINC000011667790 221119782 /nfs/dbraw/zinc/11/97/82/221119782.db2.gz IFSIYFOYSKGUSJ-NRFANRHFSA-N 2 2 379.548 3.409 50 0 GGAALP COCC[NH+](Cc1cccnc1)C[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000011667790 221119784 /nfs/dbraw/zinc/11/97/84/221119784.db2.gz IFSIYFOYSKGUSJ-NRFANRHFSA-N 2 2 379.548 3.409 50 0 GGAALP COCC[NH+](Cc1cccnc1)C[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000011667790 221119788 /nfs/dbraw/zinc/11/97/88/221119788.db2.gz IFSIYFOYSKGUSJ-NRFANRHFSA-N 2 2 379.548 3.409 50 0 GGAALP Cc1cccc(C[NH+]2CCC([NH+]3CCC(C(=O)N4CCC(C)CC4)CC3)CC2)n1 ZINC000011937999 221139809 /nfs/dbraw/zinc/13/98/09/221139809.db2.gz IHZRQQLBDCXBCC-UHFFFAOYSA-N 2 2 398.595 3.325 50 0 GGAALP CCCC[C@@H]1C[N@H+](CCNC(=O)CCn2cc[nH+]c2CC)Cc2ccccc2O1 ZINC000012155742 221160252 /nfs/dbraw/zinc/16/02/52/221160252.db2.gz JQKWYRLDBPQLSM-HXUWFJFHSA-N 2 2 398.551 3.405 50 0 GGAALP CCCC[C@@H]1C[N@@H+](CCNC(=O)CCn2cc[nH+]c2CC)Cc2ccccc2O1 ZINC000012155742 221160255 /nfs/dbraw/zinc/16/02/55/221160255.db2.gz JQKWYRLDBPQLSM-HXUWFJFHSA-N 2 2 398.551 3.405 50 0 GGAALP Cc1cc(NCc2ccc[nH+]c2N2CCN(c3ccccc3C)CC2)nc(N)[nH+]1 ZINC000012306825 221179848 /nfs/dbraw/zinc/17/98/48/221179848.db2.gz PHSMWAAHPNIMLA-UHFFFAOYSA-N 2 2 389.507 3.009 50 0 GGAALP O=C(CC[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccn3)CC2)C1)N1CCCC1 ZINC000012436276 221194157 /nfs/dbraw/zinc/19/41/57/221194157.db2.gz MLLXLBOBEOLTOJ-FQEVSTJZSA-N 2 2 384.568 3.161 50 0 GGAALP O=C(CC[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccccn3)CC2)C1)N1CCCC1 ZINC000012436276 221194159 /nfs/dbraw/zinc/19/41/59/221194159.db2.gz MLLXLBOBEOLTOJ-FQEVSTJZSA-N 2 2 384.568 3.161 50 0 GGAALP O=C(N[C@H]1CCC[N@H+](CCc2ccccc2)C1)c1cnc(C[NH+]2CCCC2)s1 ZINC000012570617 221207967 /nfs/dbraw/zinc/20/79/67/221207967.db2.gz LLQARNXIKDNWRV-IBGZPJMESA-N 2 2 398.576 3.176 50 0 GGAALP O=C(N[C@H]1CCC[N@@H+](CCc2ccccc2)C1)c1cnc(C[NH+]2CCCC2)s1 ZINC000012570617 221207970 /nfs/dbraw/zinc/20/79/70/221207970.db2.gz LLQARNXIKDNWRV-IBGZPJMESA-N 2 2 398.576 3.176 50 0 GGAALP CCOc1ccc(C[NH+]2CCC([NH+]3CCC(C(=O)N4CCCC4)CC3)CC2)cc1 ZINC000012713853 221220974 /nfs/dbraw/zinc/22/09/74/221220974.db2.gz RLUGGIHDPPVYNF-UHFFFAOYSA-N 2 2 399.579 3.384 50 0 GGAALP CCOc1ccc(C[NH+]2CCC([N@@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)cc1 ZINC000012713598 221221562 /nfs/dbraw/zinc/22/15/62/221221562.db2.gz MDRPNYUAZOXWIS-LJQANCHMSA-N 2 2 385.552 3.040 50 0 GGAALP CCOc1ccc(C[NH+]2CCC([N@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)cc1 ZINC000012713598 221221564 /nfs/dbraw/zinc/22/15/64/221221564.db2.gz MDRPNYUAZOXWIS-LJQANCHMSA-N 2 2 385.552 3.040 50 0 GGAALP C[NH+]1CCC([N@@H+]2CCC[C@H](NC(=O)c3cc(C4CC4)nc4ccccc43)C2)CC1 ZINC000012713819 221221821 /nfs/dbraw/zinc/22/18/21/221221821.db2.gz PRYHZMPRUSUPFC-SFHVURJKSA-N 2 2 392.547 3.401 50 0 GGAALP C[NH+]1CCC([N@H+]2CCC[C@H](NC(=O)c3cc(C4CC4)nc4ccccc43)C2)CC1 ZINC000012713819 221221825 /nfs/dbraw/zinc/22/18/25/221221825.db2.gz PRYHZMPRUSUPFC-SFHVURJKSA-N 2 2 392.547 3.401 50 0 GGAALP O=C(NCCc1ccccc1)C1CC[NH+](C2CC[NH+](Cc3ccco3)CC2)CC1 ZINC000012761249 221228481 /nfs/dbraw/zinc/22/84/81/221228481.db2.gz DJQCMKCJTAEDDF-UHFFFAOYSA-N 2 2 395.547 3.315 50 0 GGAALP COCCN(Cc1c[nH+]c(C)[nH]1)C[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000015079098 221333232 /nfs/dbraw/zinc/33/32/32/221333232.db2.gz VVZHKHWEHGYEFP-LJQANCHMSA-N 2 2 382.552 3.046 50 0 GGAALP COCCN(Cc1c[nH+]c(C)[nH]1)C[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000015079098 221333234 /nfs/dbraw/zinc/33/32/34/221333234.db2.gz VVZHKHWEHGYEFP-LJQANCHMSA-N 2 2 382.552 3.046 50 0 GGAALP COCCN(Cc1c[nH]c(C)[nH+]1)C[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000015079098 221333236 /nfs/dbraw/zinc/33/32/36/221333236.db2.gz VVZHKHWEHGYEFP-LJQANCHMSA-N 2 2 382.552 3.046 50 0 GGAALP COCCN(Cc1c[nH]c(C)[nH+]1)C[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000015079098 221333237 /nfs/dbraw/zinc/33/32/37/221333237.db2.gz VVZHKHWEHGYEFP-LJQANCHMSA-N 2 2 382.552 3.046 50 0 GGAALP C[C@H](CNC(=O)c1ccco1)Oc1cccc(C[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000014994581 221324656 /nfs/dbraw/zinc/32/46/56/221324656.db2.gz GQBIPCKZJKVBMV-QGZVFWFLSA-N 2 2 385.508 3.003 50 0 GGAALP C[C@H](CNC(=O)c1ccco1)Oc1cccc(C[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000014994581 221324658 /nfs/dbraw/zinc/32/46/58/221324658.db2.gz GQBIPCKZJKVBMV-QGZVFWFLSA-N 2 2 385.508 3.003 50 0 GGAALP O=C(CCc1cn2ccccc2[nH+]1)N[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000015074506 221331362 /nfs/dbraw/zinc/33/13/62/221331362.db2.gz HIJOCHLWBVIFJW-FQEVSTJZSA-N 2 2 376.504 3.090 50 0 GGAALP O=C(CCc1cn2ccccc2[nH+]1)N[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000015074506 221331366 /nfs/dbraw/zinc/33/13/66/221331366.db2.gz HIJOCHLWBVIFJW-FQEVSTJZSA-N 2 2 376.504 3.090 50 0 GGAALP O=C(CCc1cn2ccccc2[nH+]1)N[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000015074505 221331433 /nfs/dbraw/zinc/33/14/33/221331433.db2.gz HIJOCHLWBVIFJW-HXUWFJFHSA-N 2 2 376.504 3.090 50 0 GGAALP O=C(CCc1cn2ccccc2[nH+]1)N[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000015074505 221331435 /nfs/dbraw/zinc/33/14/35/221331435.db2.gz HIJOCHLWBVIFJW-HXUWFJFHSA-N 2 2 376.504 3.090 50 0 GGAALP C[C@@H]1CCC(=O)N1c1ccc(N2CCC([N@@H+]3CC[C@H](n4cc[nH+]c4)C3)CC2)cc1 ZINC000039454732 132391475 /nfs/dbraw/zinc/39/14/75/132391475.db2.gz KWCSLOJBJUSRCR-GCJKJVERSA-N 2 2 393.535 3.314 50 0 GGAALP C[C@@H]1CCC(=O)N1c1ccc(N2CCC([N@H+]3CC[C@H](n4cc[nH+]c4)C3)CC2)cc1 ZINC000039454732 132391476 /nfs/dbraw/zinc/39/14/76/132391476.db2.gz KWCSLOJBJUSRCR-GCJKJVERSA-N 2 2 393.535 3.314 50 0 GGAALP CC(C)Nc1cc[nH+]c(N2CCC[C@@H](c3[nH+]ccn3Cc3cccnc3)C2)n1 ZINC000091486185 136176578 /nfs/dbraw/zinc/17/65/78/136176578.db2.gz OUWSWIHMPJYPAM-GOSISDBHSA-N 2 2 377.496 3.321 50 0 GGAALP CC(C)Nc1cc[nH+]c(N2CCC[C@@H](c3[nH+]ccn3Cc3ccccn3)C2)n1 ZINC000095358566 136177983 /nfs/dbraw/zinc/17/79/83/136177983.db2.gz YGAYFAFWEZETEI-QGZVFWFLSA-N 2 2 377.496 3.321 50 0 GGAALP CC(C)Nc1cc[nH+]c(N2CCC[C@H](c3[nH+]ccn3Cc3ccccn3)C2)n1 ZINC000095358565 136178115 /nfs/dbraw/zinc/17/81/15/136178115.db2.gz YGAYFAFWEZETEI-KRWDZBQOSA-N 2 2 377.496 3.321 50 0 GGAALP c1cn(Cc2cccnc2)c([C@@H]2CCCN(c3cc(N4CCCC4)cn[nH+]3)C2)[nH+]1 ZINC000095504246 136180099 /nfs/dbraw/zinc/18/00/99/136180099.db2.gz ZBLIWSANNIBFFJ-LJQANCHMSA-N 2 2 389.507 3.101 50 0 GGAALP Cc1cc(N2CC[N@@H+](C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)c2ccccc2[nH+]1 ZINC000106994601 136191642 /nfs/dbraw/zinc/19/16/42/136191642.db2.gz KVFIYTSVTKZKTQ-NRFANRHFSA-N 3 2 396.579 3.289 50 0 GGAALP Cc1cc(N2CC[N@H+](C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)c2ccccc2[nH+]1 ZINC000106994601 136191643 /nfs/dbraw/zinc/19/16/43/136191643.db2.gz KVFIYTSVTKZKTQ-NRFANRHFSA-N 3 2 396.579 3.289 50 0 GGAALP CCCOc1ccc(C[NH+]2CCN(c3cc(C)[nH+]c(N)n3)CC2)cc1Cl ZINC000215583490 136203024 /nfs/dbraw/zinc/20/30/24/136203024.db2.gz TUVQCFUBZHNDLA-UHFFFAOYSA-N 2 2 375.904 3.132 50 0 GGAALP COCC[NH+]1CCC(C[N@H+](Cc2nc3ccccc3[nH]2)Cc2ccncc2)CC1 ZINC000053537270 222011326 /nfs/dbraw/zinc/01/13/26/222011326.db2.gz PXNNMVMLTXLKCR-UHFFFAOYSA-N 2 2 393.535 3.319 50 0 GGAALP COCC[NH+]1CCC(C[N@@H+](Cc2nc3ccccc3[nH]2)Cc2ccncc2)CC1 ZINC000053537270 222011331 /nfs/dbraw/zinc/01/13/31/222011331.db2.gz PXNNMVMLTXLKCR-UHFFFAOYSA-N 2 2 393.535 3.319 50 0 GGAALP CCc1ccc(NC(=O)NCCNc2cc(-n3cc[nH+]c3C)nc(C)[nH+]2)cc1 ZINC000065364494 222124726 /nfs/dbraw/zinc/12/47/26/222124726.db2.gz OXSAKMXPNHXYFA-UHFFFAOYSA-N 2 2 379.468 3.075 50 0 GGAALP CN(Cc1ccoc1)C(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000071747611 222189558 /nfs/dbraw/zinc/18/95/58/222189558.db2.gz RYAFKIMXOBDIPM-OAQYLSRUSA-N 2 2 396.535 3.010 50 0 GGAALP CN(Cc1ccoc1)C(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000071747611 222189561 /nfs/dbraw/zinc/18/95/61/222189561.db2.gz RYAFKIMXOBDIPM-OAQYLSRUSA-N 2 2 396.535 3.010 50 0 GGAALP CCC1(CNC(=O)[C@@H]2CCC[N@@H+](C3CC[NH+](Cc4cccnc4)CC3)C2)CC1 ZINC000071748310 222189883 /nfs/dbraw/zinc/18/98/83/222189883.db2.gz LBSXLBVJCDEBQM-HXUWFJFHSA-N 2 2 384.568 3.064 50 0 GGAALP CCC1(CNC(=O)[C@@H]2CCC[N@H+](C3CC[NH+](Cc4cccnc4)CC3)C2)CC1 ZINC000071748310 222189888 /nfs/dbraw/zinc/18/98/88/222189888.db2.gz LBSXLBVJCDEBQM-HXUWFJFHSA-N 2 2 384.568 3.064 50 0 GGAALP Cc1[nH+]ccn1-c1cc(NCCNC(=O)Nc2cccc(Cl)c2C)[nH+]cn1 ZINC000067613024 222151667 /nfs/dbraw/zinc/15/16/67/222151667.db2.gz QWAXDNUBKDUEQM-UHFFFAOYSA-N 2 2 385.859 3.166 50 0 GGAALP CN(Cc1ccoc1)C(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000071747612 222190425 /nfs/dbraw/zinc/19/04/25/222190425.db2.gz RYAFKIMXOBDIPM-NRFANRHFSA-N 2 2 396.535 3.010 50 0 GGAALP CN(Cc1ccoc1)C(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000071747612 222190430 /nfs/dbraw/zinc/19/04/30/222190430.db2.gz RYAFKIMXOBDIPM-NRFANRHFSA-N 2 2 396.535 3.010 50 0 GGAALP CC(C)C1(NC(=O)[C@H]2CCC[N@@H+](C3CC[NH+](Cc4ccncc4)CC3)C2)CC1 ZINC000071498575 222184939 /nfs/dbraw/zinc/18/49/39/222184939.db2.gz XBRNTHMSTIITEV-FQEVSTJZSA-N 2 2 384.568 3.063 50 0 GGAALP CC(C)C1(NC(=O)[C@H]2CCC[N@H+](C3CC[NH+](Cc4ccncc4)CC3)C2)CC1 ZINC000071498575 222184943 /nfs/dbraw/zinc/18/49/43/222184943.db2.gz XBRNTHMSTIITEV-FQEVSTJZSA-N 2 2 384.568 3.063 50 0 GGAALP CC(C)CCN(C)C(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000071498336 222185158 /nfs/dbraw/zinc/18/51/58/222185158.db2.gz ANIDMULLVBCXNW-NRFANRHFSA-N 2 2 386.584 3.263 50 0 GGAALP CC(C)CCN(C)C(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000071498336 222185162 /nfs/dbraw/zinc/18/51/62/222185162.db2.gz ANIDMULLVBCXNW-NRFANRHFSA-N 2 2 386.584 3.263 50 0 GGAALP O=C(NC(C1CC1)C1CC1)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000071524341 222186173 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O=C(NCCC1CCCC1)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000082107768 222308971 /nfs/dbraw/zinc/30/89/71/222308971.db2.gz STFJEKKYUJIBQL-QFIPXVFZSA-N 2 2 398.595 3.455 50 0 GGAALP O=C([C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccncc3)CC2)C1)N1CCCCC12CC2 ZINC000082121543 222309813 /nfs/dbraw/zinc/30/98/13/222309813.db2.gz OVFOIENRDQDUDH-OAQYLSRUSA-N 2 2 396.579 3.303 50 0 GGAALP O=C([C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccncc3)CC2)C1)N1CCCCC12CC2 ZINC000082121543 222309815 /nfs/dbraw/zinc/30/98/15/222309815.db2.gz OVFOIENRDQDUDH-OAQYLSRUSA-N 2 2 396.579 3.303 50 0 GGAALP CCc1ccc(C[N@@H+]2CCC[C@]3(CCC(=O)N(CCc4c[nH+]c[nH]4)C3)C2)cc1 ZINC000082121110 222310435 /nfs/dbraw/zinc/31/04/35/222310435.db2.gz FLMGAKKNVMITMF-QHCPKHFHSA-N 2 2 380.536 3.419 50 0 GGAALP CCc1ccc(C[N@H+]2CCC[C@]3(CCC(=O)N(CCc4c[nH+]c[nH]4)C3)C2)cc1 ZINC000082121110 222310438 /nfs/dbraw/zinc/31/04/38/222310438.db2.gz FLMGAKKNVMITMF-QHCPKHFHSA-N 2 2 380.536 3.419 50 0 GGAALP CCc1ccc(C[N@@H+]2CCC[C@]3(CCC(=O)N(CCc4c[nH]c[nH+]4)C3)C2)cc1 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/nfs/dbraw/zinc/31/06/59/222310659.db2.gz FLMGAKKNVMITMF-HSZRJFAPSA-N 2 2 380.536 3.419 50 0 GGAALP CCc1ccc(C[N@@H+]2CCC[C@@]3(CCC(=O)N(CCc4c[nH]c[nH+]4)C3)C2)cc1 ZINC000082121111 222310663 /nfs/dbraw/zinc/31/06/63/222310663.db2.gz FLMGAKKNVMITMF-HSZRJFAPSA-N 2 2 380.536 3.419 50 0 GGAALP CCc1ccc(C[N@H+]2CCC[C@@]3(CCC(=O)N(CCc4c[nH]c[nH+]4)C3)C2)cc1 ZINC000082121111 222310665 /nfs/dbraw/zinc/31/06/65/222310665.db2.gz FLMGAKKNVMITMF-HSZRJFAPSA-N 2 2 380.536 3.419 50 0 GGAALP CCCC1(NC(=O)[C@@H]2CCC[N@@H+](C3CC[NH+](Cc4ccncc4)CC3)C2)CC1 ZINC000082121060 222310771 /nfs/dbraw/zinc/31/07/71/222310771.db2.gz FXXSZYOMBMPFMZ-HXUWFJFHSA-N 2 2 384.568 3.207 50 0 GGAALP CCCC1(NC(=O)[C@@H]2CCC[N@H+](C3CC[NH+](Cc4ccncc4)CC3)C2)CC1 ZINC000082121060 222310773 /nfs/dbraw/zinc/31/07/73/222310773.db2.gz FXXSZYOMBMPFMZ-HXUWFJFHSA-N 2 2 384.568 3.207 50 0 GGAALP O=C([C@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1)N1CCCCC12CC2 ZINC000082121178 222311403 /nfs/dbraw/zinc/31/14/03/222311403.db2.gz ZWJFPNSPANMJMX-NRFANRHFSA-N 2 2 396.579 3.303 50 0 GGAALP O=C([C@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1)N1CCCCC12CC2 ZINC000082121178 222311408 /nfs/dbraw/zinc/31/14/08/222311408.db2.gz ZWJFPNSPANMJMX-NRFANRHFSA-N 2 2 396.579 3.303 50 0 GGAALP CC[C@H](Cn1cc[nH+]c1)[NH2+]C1CCN(c2nnc(-c3ccccc3)s2)CC1 ZINC000095523600 222347952 /nfs/dbraw/zinc/34/79/52/222347952.db2.gz HDBBODYDWOGZHK-QGZVFWFLSA-N 2 2 382.537 3.439 50 0 GGAALP Cn1c(C[NH+]2CCCC2)nnc1C1CC[NH+](Cc2cc(F)ccc2F)CC1 ZINC000096138801 222385681 /nfs/dbraw/zinc/38/56/81/222385681.db2.gz FSUFLOFNNXKQAE-UHFFFAOYSA-N 2 2 375.467 3.069 50 0 GGAALP Cn1c(C[NH+]2CCCC2)nnc1C1CC[NH+](Cc2ccc3[nH]ccc3c2)CC1 ZINC000096137255 222385905 /nfs/dbraw/zinc/38/59/05/222385905.db2.gz RLWZIBHAOJXIEX-UHFFFAOYSA-N 2 2 378.524 3.272 50 0 GGAALP Cn1c(C[NH+]2CCCC2)nnc1C1CC[NH+](Cc2ccnc3ccccc23)CC1 ZINC000096153354 222391539 /nfs/dbraw/zinc/39/15/39/222391539.db2.gz ZDHYOWYIVMHTDT-UHFFFAOYSA-N 2 2 390.535 3.339 50 0 GGAALP Cc1cc(N2CCCN(C(=O)c3cccc(-c4[nH+]ccn4C)c3)CC2)cc[nH+]1 ZINC000426425518 533892594 /nfs/dbraw/zinc/89/25/94/533892594.db2.gz WBKBGWXTBHJTLC-UHFFFAOYSA-N 2 2 375.476 3.143 50 0 GGAALP Cc1noc(C)c1C[N@H+]1CCc2c(C(=O)NC[C@H](C)n3cc[nH+]c3)csc2C1 ZINC000426379714 534362318 /nfs/dbraw/zinc/36/23/18/534362318.db2.gz LGIBDYCPRKHYKH-ZDUSSCGKSA-N 2 2 399.520 3.099 50 0 GGAALP Cc1noc(C)c1C[N@@H+]1CCc2c(C(=O)NC[C@H](C)n3cc[nH+]c3)csc2C1 ZINC000426379714 534362323 /nfs/dbraw/zinc/36/23/23/534362323.db2.gz LGIBDYCPRKHYKH-ZDUSSCGKSA-N 2 2 399.520 3.099 50 0 GGAALP CC[N@@H+]1C[C@H](c2ccccc2)CC2(CC[NH+](Cc3noc(COC)n3)CC2)C1 ZINC000096132374 527993339 /nfs/dbraw/zinc/99/33/39/527993339.db2.gz UEHATTVUEHKHCK-LJQANCHMSA-N 2 2 384.524 3.308 50 0 GGAALP CC[N@H+]1C[C@H](c2ccccc2)CC2(CC[NH+](Cc3noc(COC)n3)CC2)C1 ZINC000096132374 527993343 /nfs/dbraw/zinc/99/33/43/527993343.db2.gz UEHATTVUEHKHCK-LJQANCHMSA-N 2 2 384.524 3.308 50 0 GGAALP CC(C)c1ccc(C[N@@H+]2CCC[C@]3(CC[NH+](Cc4cc(=O)[nH]c(=O)[nH]4)C3)C2)cc1 ZINC000426529310 528093368 /nfs/dbraw/zinc/09/33/68/528093368.db2.gz NAEYQJBIZPXVOI-QHCPKHFHSA-N 2 2 396.535 3.499 50 0 GGAALP CC(C)c1ccc(C[N@H+]2CCC[C@]3(CC[NH+](Cc4cc(=O)[nH]c(=O)[nH]4)C3)C2)cc1 ZINC000426529310 528093373 /nfs/dbraw/zinc/09/33/73/528093373.db2.gz NAEYQJBIZPXVOI-QHCPKHFHSA-N 2 2 396.535 3.499 50 0 GGAALP CC(C)c1ccc(C[NH+]2CCC[C@]3(CC[N@H+](Cc4cc(=O)[nH]c(=O)[nH]4)C3)C2)cc1 ZINC000426529310 528093381 /nfs/dbraw/zinc/09/33/81/528093381.db2.gz NAEYQJBIZPXVOI-QHCPKHFHSA-N 2 2 396.535 3.499 50 0 GGAALP CC(C)c1ccc(C[NH+]2CCC[C@]3(CC[N@@H+](Cc4cc(=O)[nH]c(=O)[nH]4)C3)C2)cc1 ZINC000426529310 528093386 /nfs/dbraw/zinc/09/33/86/528093386.db2.gz NAEYQJBIZPXVOI-QHCPKHFHSA-N 2 2 396.535 3.499 50 0 GGAALP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000426606780 528999235 /nfs/dbraw/zinc/99/92/35/528999235.db2.gz RHOOIXXLKOIFAW-LJQANCHMSA-N 2 2 378.948 3.042 50 0 GGAALP CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000426606780 528999241 /nfs/dbraw/zinc/99/92/41/528999241.db2.gz RHOOIXXLKOIFAW-LJQANCHMSA-N 2 2 378.948 3.042 50 0 GGAALP CCCc1c[nH+]c(C)nc1N1CCC2(CC1)c1[nH]cnc1CC[N@H+]2CC(C)C ZINC000095518169 535436520 /nfs/dbraw/zinc/43/65/20/535436520.db2.gz QFHGCZDMPOQGCR-UHFFFAOYSA-N 2 2 382.556 3.470 50 0 GGAALP CCCc1c[nH+]c(C)nc1N1CCC2(CC1)c1[nH]cnc1CC[N@@H+]2CC(C)C ZINC000095518169 535436523 /nfs/dbraw/zinc/43/65/23/535436523.db2.gz QFHGCZDMPOQGCR-UHFFFAOYSA-N 2 2 382.556 3.470 50 0 GGAALP C[NH+](C)Cc1ccc(N2CCC[C@@H](c3[nH+]ccn3Cc3ccccn3)C2)nc1 ZINC000095500996 536011290 /nfs/dbraw/zinc/01/12/90/536011290.db2.gz LIKHLKYRJJFLOX-LJQANCHMSA-N 2 2 376.508 3.167 50 0 GGAALP CCc1c[nH+]c(C)nc1N1CCC([NH+]2CC(Oc3cccc(OC)c3)C2)CC1 ZINC000096131378 536020504 /nfs/dbraw/zinc/02/05/04/536020504.db2.gz WPMQNGZXQYZILW-UHFFFAOYSA-N 2 2 382.508 3.088 50 0 GGAALP CCn1c(Cn2cc[nH+]c2)nnc1C1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000096130327 570210302 /nfs/dbraw/zinc/21/03/02/570210302.db2.gz SOMUBQJXVXWYIR-UHFFFAOYSA-N 2 2 386.450 3.201 50 0 GGAALP COc1ccc(-c2cn3c4ccccc4[nH+]c3n2CC[NH+]2CCOCC2)cc1 ZINC000019721075 570211345 /nfs/dbraw/zinc/21/13/45/570211345.db2.gz JRAZNECHDIGTPK-UHFFFAOYSA-N 2 2 376.460 3.297 50 0 biogenic GGAALP CCn1c(Cn2cc[nH+]c2)nnc1C1CC[NH+](Cc2ccc(F)cc2C)CC1 ZINC000096131964 570211577 /nfs/dbraw/zinc/21/15/77/570211577.db2.gz PSBHUFOMNJFIGB-UHFFFAOYSA-N 2 2 382.487 3.370 50 0 GGAALP COc1ccc(-c2cn3c4ccccc4[nH+]c3n2CC[NH+]2CCN(C)CC2)cc1 ZINC000019879858 570227091 /nfs/dbraw/zinc/22/70/91/570227091.db2.gz XSGNTNVJFZVUKV-UHFFFAOYSA-N 2 2 389.503 3.212 50 0 GGAALP CC[C@@H]1CN(C(=O)c2ccc(NCCc3cccc(C)[nH+]3)nc2)CC[N@@H+]1C(C)C ZINC000096836387 570232218 /nfs/dbraw/zinc/23/22/18/570232218.db2.gz BVJRFDKYCDMPMX-OAQYLSRUSA-N 2 2 395.551 3.384 50 0 GGAALP CC[C@@H]1CN(C(=O)c2ccc(NCCc3cccc(C)[nH+]3)nc2)CC[N@H+]1C(C)C ZINC000096836387 570232223 /nfs/dbraw/zinc/23/22/23/570232223.db2.gz BVJRFDKYCDMPMX-OAQYLSRUSA-N 2 2 395.551 3.384 50 0 GGAALP CC[NH+](CC)CCn1c2ccccc2n(C[C@@H](O)COc2ccc(C)cc2)c1=[NH2+] ZINC000020064471 570238431 /nfs/dbraw/zinc/23/84/31/570238431.db2.gz CHJWOVMZNMBIBB-LJQANCHMSA-N 2 2 396.535 3.012 50 0 GGAALP O=C(NCC1CC[NH+](Cc2ccccc2)CC1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000263937662 570261783 /nfs/dbraw/zinc/26/17/83/570261783.db2.gz FOKRPZGDGUPEMI-FQEVSTJZSA-N 2 2 381.524 3.211 50 0 GGAALP O=C(NC1CCCCC1)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000020540247 570266644 /nfs/dbraw/zinc/26/66/44/570266644.db2.gz SIIQZFJLLXWCKO-FQEVSTJZSA-N 2 2 384.568 3.207 50 0 GGAALP O=C(NC1CCCCC1)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000020540247 570266645 /nfs/dbraw/zinc/26/66/45/570266645.db2.gz SIIQZFJLLXWCKO-FQEVSTJZSA-N 2 2 384.568 3.207 50 0 GGAALP CC(C)(C[NH2+][C@H]1CCCN(c2nc3ccccc3s2)C1)C[NH+]1CCOCC1 ZINC000020542571 570267041 /nfs/dbraw/zinc/26/70/41/570267041.db2.gz SLOLBYUIQPSPHX-KRWDZBQOSA-N 2 2 388.581 3.213 50 0 GGAALP CCCCn1cnc2sc3c(c2c1=O)CC[C@@H]([NH2+]CC[NH+](CC)CC)C3 ZINC000020911144 570284565 /nfs/dbraw/zinc/28/45/65/570284565.db2.gz SNUVCRFRJLONES-OAHLLOKOSA-N 2 2 376.570 3.047 50 0 GGAALP Cc1cccc(C[NH+]2CCC([NH+]3CCC(C(=O)N4CCCCCC4)CC3)CC2)n1 ZINC000020992492 570286414 /nfs/dbraw/zinc/28/64/14/570286414.db2.gz UTYXPXGGDIPVMD-UHFFFAOYSA-N 2 2 398.595 3.469 50 0 GGAALP COc1ccccc1C[NH+]1CCC([NH+]2CCN(c3ccccc3OC)CC2)CC1 ZINC000004703448 570395314 /nfs/dbraw/zinc/39/53/14/570395314.db2.gz JCGOGTNWZOGNLW-UHFFFAOYSA-N 2 2 395.547 3.490 50 0 GGAALP O=C(C[NH+]1CCCCC1)Nc1ccc(NC(=O)C[NH+]2CCCCC2)c(Cl)c1 ZINC000004724399 570397827 /nfs/dbraw/zinc/39/78/27/570397827.db2.gz PDPUOFINGQMZFJ-UHFFFAOYSA-N 2 2 392.931 3.189 50 0 GGAALP CSc1cccc(NC(=O)NCCNc2cc(-n3cc[nH+]c3C)nc(C)[nH+]2)c1 ZINC000035598147 570400725 /nfs/dbraw/zinc/40/07/25/570400725.db2.gz MVOSTKKNRMVUNA-UHFFFAOYSA-N 2 2 397.508 3.235 50 0 GGAALP COc1ccc([C@@H](O)Cn2c3ccccc3n(CC[NH+]3CCCCC3)c2=[NH2+])cc1 ZINC000004793844 570405951 /nfs/dbraw/zinc/40/59/51/570405951.db2.gz REWRNKZOHJNJGC-QFIPXVFZSA-N 2 2 394.519 3.150 50 0 GGAALP O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000028693836 570463078 /nfs/dbraw/zinc/46/30/78/570463078.db2.gz IYFGAWCSFIXRPI-UHFFFAOYSA-N 2 2 378.520 3.026 50 0 GGAALP O=C(NC1CC[NH+](CCc2ccccc2)CC1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000263972782 570545416 /nfs/dbraw/zinc/54/54/16/570545416.db2.gz XNRUDWSFTQMMMK-IBGZPJMESA-N 2 2 381.524 3.006 50 0 GGAALP CC(C)c1csc(C[N@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)n1 ZINC000039537129 570593394 /nfs/dbraw/zinc/59/33/94/570593394.db2.gz HVHWVSYULVLTNU-LJQANCHMSA-N 2 2 394.629 3.008 50 0 GGAALP CC(C)c1csc(C[N@@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)n1 ZINC000039537129 570593397 /nfs/dbraw/zinc/59/33/97/570593397.db2.gz HVHWVSYULVLTNU-LJQANCHMSA-N 2 2 394.629 3.008 50 0 GGAALP C[NH+](C)C[C@](C)(O)c1ccc2c(c1)C[N@@H+](Cc1ccc(F)c(F)c1)CCO2 ZINC000055036351 570679596 /nfs/dbraw/zinc/67/95/96/570679596.db2.gz WQJTYYWMSZFEFH-NRFANRHFSA-N 2 2 376.447 3.129 50 0 GGAALP C[NH+](C)C[C@](C)(O)c1ccc2c(c1)C[N@H+](Cc1ccc(F)c(F)c1)CCO2 ZINC000055036351 570679599 /nfs/dbraw/zinc/67/95/99/570679599.db2.gz WQJTYYWMSZFEFH-NRFANRHFSA-N 2 2 376.447 3.129 50 0 GGAALP O=C(c1ccccc1[C@H]1CC[NH2+]C1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000072146629 570872312 /nfs/dbraw/zinc/87/23/12/570872312.db2.gz ZKLUYMFHZULSMI-JLXBBBJOSA-N 2 2 375.516 3.235 50 0 GGAALP c1ccc([C@@H]2C[C@H](c3noc(CCC[NH+]4CCOCC4)n3)[C@H]3CCC[N@H+]32)cc1 ZINC000299756762 570891861 /nfs/dbraw/zinc/89/18/61/570891861.db2.gz FKAOFLMUYYXLJD-ZCNNSNEGSA-N 2 2 382.508 3.027 50 0 GGAALP c1ccc([C@@H]2C[C@H](c3noc(CCC[NH+]4CCOCC4)n3)[C@H]3CCC[N@@H+]32)cc1 ZINC000299756762 570891866 /nfs/dbraw/zinc/89/18/66/570891866.db2.gz FKAOFLMUYYXLJD-ZCNNSNEGSA-N 2 2 382.508 3.027 50 0 GGAALP COCCCNC(=O)CC[C@H]1C[N@H+](Cc2ccccc2Cl)CC[C@H]1[NH+](C)C ZINC000299767135 570893565 /nfs/dbraw/zinc/89/35/65/570893565.db2.gz FOQYLBFOGRQFOP-AZUAARDMSA-N 2 2 395.975 3.025 50 0 GGAALP COCCCNC(=O)CC[C@H]1C[N@@H+](Cc2ccccc2Cl)CC[C@H]1[NH+](C)C ZINC000299767135 570893568 /nfs/dbraw/zinc/89/35/68/570893568.db2.gz FOQYLBFOGRQFOP-AZUAARDMSA-N 2 2 395.975 3.025 50 0 GGAALP CC[NH+]1CCC(CNC(=O)N(Cc2ccc3[nH]ccc3c2)C2CC2)([NH+](C)C)CC1 ZINC000534637690 570912463 /nfs/dbraw/zinc/91/24/63/570912463.db2.gz YCOADRYECWSLAR-UHFFFAOYSA-N 2 2 397.567 3.258 50 0 GGAALP COc1ccc([C@H]2[NH2+]CCc3c4ccccc4[nH]c32)cc1C[NH+]1CCOCC1 ZINC000002100917 570942389 /nfs/dbraw/zinc/94/23/89/570942389.db2.gz ATYLIZXFQMGDRD-JOCHJYFZSA-N 2 2 377.488 3.244 50 0 biogenic GGAALP O=C1CC2(CN1C/C=C/c1ccccc1)CC[NH+](CCCn1cc[nH+]c1)CC2 ZINC000091440148 571008229 /nfs/dbraw/zinc/00/82/29/571008229.db2.gz SEXZXQZOCWWTAQ-XBXARRHUSA-N 2 2 378.520 3.301 50 0 GGAALP CCCCN1CCc2[nH+]c[nH]c2C12CC[NH+](Cc1ccc3c(c1)OCO3)CC2 ZINC000091563468 571014872 /nfs/dbraw/zinc/01/48/72/571014872.db2.gz LFHMMBUJRCXMFT-UHFFFAOYSA-N 2 2 382.508 3.288 50 0 GGAALP COc1ccc([C@H]2CN(c3nccc(-c4ccc(C)[nH+]c4C)n3)C[C@@H]2[NH3+])cc1 ZINC000091678757 571025567 /nfs/dbraw/zinc/02/55/67/571025567.db2.gz UTIWBQQVCVOSHI-UXHICEINSA-N 2 2 375.476 3.095 50 0 GGAALP C[NH+](C)[C@H]1CC[N@H+](Cc2cnc(-c3ccc(Cl)cc3)nc2)C[C@H]1CCCO ZINC000091952257 571037569 /nfs/dbraw/zinc/03/75/69/571037569.db2.gz YMQFLLGLKLDZQJ-QUCCMNQESA-N 2 2 388.943 3.322 50 0 GGAALP C[NH+](C)[C@H]1CC[N@@H+](Cc2cnc(-c3ccc(Cl)cc3)nc2)C[C@H]1CCCO ZINC000091952257 571037572 /nfs/dbraw/zinc/03/75/72/571037572.db2.gz YMQFLLGLKLDZQJ-QUCCMNQESA-N 2 2 388.943 3.322 50 0 GGAALP Cc1noc(C)c1C[N@@H+]1C[C@@H]2CC[C@H](C1)N(Cc1cn3cc(C)ccc3[nH+]1)C2 ZINC000092062080 571043025 /nfs/dbraw/zinc/04/30/25/571043025.db2.gz VHFBIBGGWWSMPB-AZUAARDMSA-N 2 2 379.508 3.344 50 0 GGAALP Cc1noc(C)c1C[N@H+]1C[C@@H]2CC[C@H](C1)N(Cc1cn3cc(C)ccc3[nH+]1)C2 ZINC000092062080 571043027 /nfs/dbraw/zinc/04/30/27/571043027.db2.gz VHFBIBGGWWSMPB-AZUAARDMSA-N 2 2 379.508 3.344 50 0 GGAALP CS[C@@H](C)CC[NH+]1CCC2(CCC(=O)N(CCCn3cc[nH+]c3)C2)CC1 ZINC000092099271 571044912 /nfs/dbraw/zinc/04/49/12/571044912.db2.gz WSZDVHCVAJELHP-SFHVURJKSA-N 2 2 378.586 3.119 50 0 GGAALP Cc1ccc(F)cc1CC(=O)N1CCC(c2[nH+]ccn2CCC[NH+](C)C)CC1 ZINC000095370503 571060871 /nfs/dbraw/zinc/06/08/71/571060871.db2.gz RBJFRGCNOSOZQF-UHFFFAOYSA-N 2 2 386.515 3.231 50 0 GGAALP C[NH+](C)CCCn1cc[nH+]c1C1CCN(C(=O)c2ccc3cc[nH]c3c2)CC1 ZINC000095373270 571062692 /nfs/dbraw/zinc/06/26/92/571062692.db2.gz HKOJMLHEUJPMDB-UHFFFAOYSA-N 2 2 379.508 3.336 50 0 GGAALP C[C@H](C[NH+]1CCC2(CCC(=O)N(CCCn3cc[nH+]c3)C2)CC1)C(F)(F)F ZINC000095377089 571065003 /nfs/dbraw/zinc/06/50/03/571065003.db2.gz BYAPQSMVHMCSHU-MRXNPFEDSA-N 2 2 386.462 3.176 50 0 GGAALP CC(=O)c1cc(C(=O)N2CCC(c3[nH+]ccn3CCC[NH+](C)C)CC2)cs1 ZINC000095378308 571065762 /nfs/dbraw/zinc/06/57/62/571065762.db2.gz XZWPMWIVTYNMON-UHFFFAOYSA-N 2 2 388.537 3.119 50 0 GGAALP COc1cccc(C)c1C(=O)N1CCC[C@H](c2[nH+]ccn2CCC[NH+](C)C)C1 ZINC000095379325 571066495 /nfs/dbraw/zinc/06/64/95/571066495.db2.gz RVNHJPYVQRGBOK-SFHVURJKSA-N 2 2 384.524 3.172 50 0 GGAALP C[NH+](C)CCCn1cc[nH+]c1C1CCN(C(=O)Cc2ccccc2Cl)CC1 ZINC000095383712 571069182 /nfs/dbraw/zinc/06/91/82/571069182.db2.gz NOQMYOAIXJWPKE-UHFFFAOYSA-N 2 2 388.943 3.437 50 0 GGAALP Cn1c(Cn2cc[nH+]c2)nnc1[C@@H]1CCC[N@H+](C/C=C/c2ccc(F)cc2)C1 ZINC000095383650 571069196 /nfs/dbraw/zinc/06/91/96/571069196.db2.gz QKULUAHJPQNOQI-ROVVAWJSSA-N 2 2 380.471 3.092 50 0 GGAALP Cn1c(Cn2cc[nH+]c2)nnc1[C@@H]1CCC[N@@H+](C/C=C/c2ccc(F)cc2)C1 ZINC000095383650 571069197 /nfs/dbraw/zinc/06/91/97/571069197.db2.gz QKULUAHJPQNOQI-ROVVAWJSSA-N 2 2 380.471 3.092 50 0 GGAALP CSc1ccc(C[N@@H+]2CCC[C@@H](c3nnc(Cn4cc[nH+]c4)n3C)C2)cc1 ZINC000095390262 571071999 /nfs/dbraw/zinc/07/19/99/571071999.db2.gz LKCCQTDSTBXKSW-QGZVFWFLSA-N 2 2 382.537 3.161 50 0 GGAALP CSc1ccc(C[N@H+]2CCC[C@@H](c3nnc(Cn4cc[nH+]c4)n3C)C2)cc1 ZINC000095390262 571072002 /nfs/dbraw/zinc/07/20/02/571072002.db2.gz LKCCQTDSTBXKSW-QGZVFWFLSA-N 2 2 382.537 3.161 50 0 GGAALP C[NH+](C)CCn1cc[nH+]c1C1CCN(c2nnc(-c3ccccc3)s2)CC1 ZINC000095509344 571080791 /nfs/dbraw/zinc/08/07/91/571080791.db2.gz BDGJNLOHGPHYSY-UHFFFAOYSA-N 2 2 382.537 3.347 50 0 GGAALP O=C(Nc1ccc(-c2cscn2)cc1)[C@H]1CCC[N@H+](CCc2[nH]cc[nH+]2)C1 ZINC000095509957 571081061 /nfs/dbraw/zinc/08/10/61/571081061.db2.gz OKONRWFPGQIYGV-INIZCTEOSA-N 2 2 381.505 3.426 50 0 GGAALP O=C(Nc1ccc(-c2cscn2)cc1)[C@H]1CCC[N@@H+](CCc2[nH]cc[nH+]2)C1 ZINC000095509957 571081062 /nfs/dbraw/zinc/08/10/62/571081062.db2.gz OKONRWFPGQIYGV-INIZCTEOSA-N 2 2 381.505 3.426 50 0 GGAALP C[NH+](C)CCCn1cc[nH+]c1[C@H]1CCCN(C(=O)c2cnc3c(c2)CCCC3)C1 ZINC000095510151 571081475 /nfs/dbraw/zinc/08/14/75/571081475.db2.gz KRHKFJZPFHSJHG-IBGZPJMESA-N 2 2 395.551 3.128 50 0 GGAALP C[NH+](C)CCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2cnc3c(c2)CCCC3)C1 ZINC000095510150 571081735 /nfs/dbraw/zinc/08/17/35/571081735.db2.gz KRHKFJZPFHSJHG-LJQANCHMSA-N 2 2 395.551 3.128 50 0 GGAALP C[NH+]1CCC([N@@H+]2CCC[C@H](NC(=O)CCCc3ccc(Cl)cc3)C2)CC1 ZINC000012573889 1399047305 /nfs/dbraw/zinc/04/73/05/1399047305.db2.gz LXKJDKSXQZQNKW-IBGZPJMESA-N 2 2 377.960 3.338 50 0 GGAALP C[NH+]1CCC([N@H+]2CCC[C@H](NC(=O)CCCc3ccc(Cl)cc3)C2)CC1 ZINC000012573889 1399047310 /nfs/dbraw/zinc/04/73/10/1399047310.db2.gz LXKJDKSXQZQNKW-IBGZPJMESA-N 2 2 377.960 3.338 50 0 GGAALP C[NH+]1CCN(C(=O)CC[C@@H]2CCC[N@H+](Cc3ccc(Cl)c(F)c3)C2)CC1 ZINC000012717861 1399055475 /nfs/dbraw/zinc/05/54/75/1399055475.db2.gz PMWAESIMQSLPFM-INIZCTEOSA-N 2 2 381.923 3.245 50 0 GGAALP C[NH+]1CCN(C(=O)CC[C@@H]2CCC[N@@H+](Cc3ccc(Cl)c(F)c3)C2)CC1 ZINC000012717861 1399055480 /nfs/dbraw/zinc/05/54/80/1399055480.db2.gz PMWAESIMQSLPFM-INIZCTEOSA-N 2 2 381.923 3.245 50 0 GGAALP Cc1cc(N2CCC3(CC2)c2ccccc2[C@@H]([NH+](C)C)[C@@H]3O)nc(C(C)C)[nH+]1 ZINC000019633224 1399333380 /nfs/dbraw/zinc/33/33/80/1399333380.db2.gz FPXAQWHVYCNWGD-RTWAWAEBSA-N 2 2 380.536 3.424 50 0 GGAALP Cc1cc2[nH]c(CCc3nc(-c4c(C)ncc5c4CC[NH2+]C5)no3)[nH+]c2cc1C ZINC000020541665 1399348752 /nfs/dbraw/zinc/34/87/52/1399348752.db2.gz RPTZCYLWZNTJTB-UHFFFAOYSA-N 2 2 388.475 3.364 50 0 GGAALP Cc1nc([C@@H](C)[N@H+](C)Cc2ccc(-c3nc(CC[NH3+])cc(=O)[nH]3)cc2)c(C)s1 ZINC000023505959 1399566392 /nfs/dbraw/zinc/56/63/92/1399566392.db2.gz FZSZXYRYKAGHSE-CYBMUJFWSA-N 2 2 397.548 3.204 50 0 GGAALP Cc1nc([C@@H](C)[N@@H+](C)Cc2ccc(-c3nc(CC[NH3+])cc(=O)[nH]3)cc2)c(C)s1 ZINC000023505959 1399566398 /nfs/dbraw/zinc/56/63/98/1399566398.db2.gz FZSZXYRYKAGHSE-CYBMUJFWSA-N 2 2 397.548 3.204 50 0 GGAALP