smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=S1(=O)CC[C@H]([N@@H+](Cc2cccc(F)c2)C[C@H](O)COc2ccccc2)C1 ZINC000247349598 231041466 /nfs/dbraw/zinc/04/14/66/231041466.db2.gz VUGPSJAOWQXUAT-OALUTQOASA-N 1 2 393.480 2.255 50 0 GEAALO O=S1(=O)CC[C@H]([N@H+](Cc2cccc(F)c2)C[C@H](O)COc2ccccc2)C1 ZINC000247349598 231041469 /nfs/dbraw/zinc/04/14/69/231041469.db2.gz VUGPSJAOWQXUAT-OALUTQOASA-N 1 2 393.480 2.255 50 0 GEAALO COc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3csc(C)n3)C[C@H]2O)c(C)c1 ZINC000426359071 231207531 /nfs/dbraw/zinc/20/75/31/231207531.db2.gz NILYSVADCUEGTI-QZTJIDSGSA-N 1 2 375.494 2.134 50 0 GEAALO COc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3csc(C)n3)C[C@H]2O)c(C)c1 ZINC000426359071 231207533 /nfs/dbraw/zinc/20/75/33/231207533.db2.gz NILYSVADCUEGTI-QZTJIDSGSA-N 1 2 375.494 2.134 50 0 GEAALO CCc1oc2c(cccc2NC(=O)N2CC[NH+](CCOCCO)CC2)c1C ZINC000426548552 231239718 /nfs/dbraw/zinc/23/97/18/231239718.db2.gz RGHDDDWJEMJLDP-UHFFFAOYSA-N 1 2 375.469 2.462 50 0 GEAALO CCc1ccc(C[N@@H+]2CCc3c(C(=O)NCCNC(C)=O)csc3C2)nc1 ZINC000426615077 529645019 /nfs/dbraw/zinc/64/50/19/529645019.db2.gz HMMAPNCLAOKTEC-UHFFFAOYSA-N 1 2 386.521 2.130 50 0 GEAALO CCc1ccc(C[N@H+]2CCc3c(C(=O)NCCNC(C)=O)csc3C2)nc1 ZINC000426615077 529645023 /nfs/dbraw/zinc/64/50/23/529645023.db2.gz HMMAPNCLAOKTEC-UHFFFAOYSA-N 1 2 386.521 2.130 50 0 GEAALO CC1=C(C(N)=O)[C@@H](c2ccc(Cl)cc2Cl)N2NC(CCCO)=[NH+]C2=N1 ZINC000001795278 531503711 /nfs/dbraw/zinc/50/37/11/531503711.db2.gz LFZHKWRCVPPWKQ-CQSZACIVSA-N 1 2 382.251 2.155 50 0 GEAALO O=C(CCN1C(=O)SC(=Cc2cccs2)C1=O)NCCc1c[nH+]c[nH]1 ZINC000009187757 531549860 /nfs/dbraw/zinc/54/98/60/531549860.db2.gz UCASIENPLXWLND-JYRVWZFOSA-N 1 2 376.463 2.257 50 0 GEAALO O=C(CCN1C(=O)SC(=Cc2cccs2)C1=O)NCCc1c[nH]c[nH+]1 ZINC000009187757 531549866 /nfs/dbraw/zinc/54/98/66/531549866.db2.gz UCASIENPLXWLND-JYRVWZFOSA-N 1 2 376.463 2.257 50 0 GEAALO C[C@@H]1C[N@@H+](CCCNS(=O)(=O)c2ccc(C(F)(F)F)cc2)C[C@H](C)O1 ZINC000048279880 531728472 /nfs/dbraw/zinc/72/84/72/531728472.db2.gz WIHTUSLHABWTAD-BETUJISGSA-N 1 2 380.432 2.483 50 0 GEAALO C[C@@H]1C[N@H+](CCCNS(=O)(=O)c2ccc(C(F)(F)F)cc2)C[C@H](C)O1 ZINC000048279880 531728480 /nfs/dbraw/zinc/72/84/80/531728480.db2.gz WIHTUSLHABWTAD-BETUJISGSA-N 1 2 380.432 2.483 50 0 GEAALO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(Br)cc1)c1cccnc1 ZINC000057011237 531817574 /nfs/dbraw/zinc/81/75/74/531817574.db2.gz VQWLJPAXGIKSJB-HNNXBMFYSA-N 1 2 384.299 2.425 50 0 GEAALO CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)C[N@@H+]1CCCC[C@H]1C ZINC000003346950 204000442 /nfs/dbraw/zinc/00/04/42/204000442.db2.gz CJBCRECERLVMBS-LLVKDONJSA-N 1 2 381.498 2.406 50 0 GEAALO CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)C[N@H+]1CCCC[C@H]1C ZINC000003346950 204000446 /nfs/dbraw/zinc/00/04/46/204000446.db2.gz CJBCRECERLVMBS-LLVKDONJSA-N 1 2 381.498 2.406 50 0 GEAALO CCc1[nH+]c2ccccc2n1CC(=O)N([C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 ZINC000004005316 204022253 /nfs/dbraw/zinc/02/22/53/204022253.db2.gz IQEFMFZVQPFMHV-LSDHHAIUSA-N 1 2 377.510 2.413 50 0 GEAALO COc1ccc(/C=C/C(=O)N2CCN(c3cccc[nH+]3)CC2)c(OC)c1OC ZINC000004118624 204027596 /nfs/dbraw/zinc/02/75/96/204027596.db2.gz CSUGVQMKTCSLLH-CSKARUKUSA-N 1 2 383.448 2.469 50 0 GEAALO Cc1ccc(NC(=O)[C@@H]2CC(=O)NC(N3CCN(c4ccccc4)CC3)=[NH+]2)cc1 ZINC000005274244 204123180 /nfs/dbraw/zinc/12/31/80/204123180.db2.gz TWYYCEPQCDZFJO-IBGZPJMESA-N 1 2 391.475 2.000 50 0 GEAALO CC(C)CCn1c(C[N@H+](C)Cc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C ZINC000005789651 204151758 /nfs/dbraw/zinc/15/17/58/204151758.db2.gz IBEJBQLZSYSDCB-UHFFFAOYSA-N 1 2 383.496 2.112 50 0 GEAALO CC(C)CCn1c(C[N@@H+](C)Cc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C ZINC000005789651 204151763 /nfs/dbraw/zinc/15/17/63/204151763.db2.gz IBEJBQLZSYSDCB-UHFFFAOYSA-N 1 2 383.496 2.112 50 0 GEAALO Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)N3CC[NH+](C)CC3)c2)cc1 ZINC000006401217 204177583 /nfs/dbraw/zinc/17/75/83/204177583.db2.gz ATTJGZKZHLXGLR-UHFFFAOYSA-N 1 2 387.505 2.208 50 0 GEAALO O=C(C[N@@H+]1CCC[C@@H]1c1cccs1)NN1C(=O)NC2(CCCCC2)C1=O ZINC000007362661 204239915 /nfs/dbraw/zinc/23/99/15/204239915.db2.gz JDMVAVWKGGKFHC-CYBMUJFWSA-N 1 2 376.482 2.171 50 0 GEAALO O=C(C[N@H+]1CCC[C@@H]1c1cccs1)NN1C(=O)NC2(CCCCC2)C1=O ZINC000007362661 204239919 /nfs/dbraw/zinc/23/99/19/204239919.db2.gz JDMVAVWKGGKFHC-CYBMUJFWSA-N 1 2 376.482 2.171 50 0 GEAALO O=C(CSc1nnc(C2CC2)n1C1CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000007551045 204243058 /nfs/dbraw/zinc/24/30/58/204243058.db2.gz NSNHTCPJKNSJOC-UHFFFAOYSA-N 1 2 384.509 2.326 50 0 GEAALO C/C=C/Cn1c(=O)c2c(nc3n2cc(C)n3-c2ccc([NH+](C)C)cc2)n(C)c1=O ZINC000009421731 204311573 /nfs/dbraw/zinc/31/15/73/204311573.db2.gz AFNBOVSUEHEHPC-VOTSOKGWSA-N 1 2 392.463 2.089 50 0 GEAALO C[C@H](C(=O)NC1CC1)[NH+]1CCN(CC(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000036798014 204332048 /nfs/dbraw/zinc/33/20/48/204332048.db2.gz XCKUJRKAFVVLEJ-GFCCVEGCSA-N 1 2 399.322 2.217 50 0 GEAALO C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC(=O)Cn3cc[nH+]c3)cc2)C1 ZINC000010809811 204338865 /nfs/dbraw/zinc/33/88/65/204338865.db2.gz UKOQXUIKOQPDIW-HUUCEWRRSA-N 1 2 376.482 2.188 50 0 GEAALO COc1ccc(C[N@@H+]2CCNC(=O)[C@@H]2CC(=O)N(C)C(C2CC2)C2CC2)cc1C ZINC000011817622 204354412 /nfs/dbraw/zinc/35/44/12/204354412.db2.gz LSCIAYGPRNXLCZ-IBGZPJMESA-N 1 2 399.535 2.341 50 0 GEAALO COc1ccc(C[N@H+]2CCNC(=O)[C@@H]2CC(=O)N(C)C(C2CC2)C2CC2)cc1C ZINC000011817622 204354415 /nfs/dbraw/zinc/35/44/15/204354415.db2.gz LSCIAYGPRNXLCZ-IBGZPJMESA-N 1 2 399.535 2.341 50 0 GEAALO CC1CC[NH+](Cc2nnnn2CC(=O)N2CCCC[C@H]2c2ccccn2)CC1 ZINC000011821655 204356386 /nfs/dbraw/zinc/35/63/86/204356386.db2.gz OCSIDZYPKPTSIH-SFHVURJKSA-N 1 2 383.500 2.054 50 0 GEAALO CS(=O)(=O)NC1CC[NH+](CC(=O)N(c2ccccc2)C2CCCCC2)CC1 ZINC000011104811 204343062 /nfs/dbraw/zinc/34/30/62/204343062.db2.gz NKWZMECGWQUGJG-UHFFFAOYSA-N 1 2 393.553 2.366 50 0 GEAALO COC(=O)c1ccc(-c2noc(C[N@@H+]3CCCN(c4ncccn4)CC3)n2)cc1 ZINC000012202557 204382083 /nfs/dbraw/zinc/38/20/83/204382083.db2.gz GKXZARRQIBNBSK-UHFFFAOYSA-N 1 2 394.435 2.026 50 0 GEAALO COC(=O)c1ccc(-c2noc(C[N@H+]3CCCN(c4ncccn4)CC3)n2)cc1 ZINC000012202557 204382087 /nfs/dbraw/zinc/38/20/87/204382087.db2.gz GKXZARRQIBNBSK-UHFFFAOYSA-N 1 2 394.435 2.026 50 0 GEAALO CC(C)[N@H+](C)Cc1nnnn1CC(=O)N1CCC(c2nc3ccccc3o2)CC1 ZINC000012201949 204382626 /nfs/dbraw/zinc/38/26/26/204382626.db2.gz BVAAIZIDEKDQJJ-UHFFFAOYSA-N 1 2 397.483 2.061 50 0 GEAALO CC(C)[N@@H+](C)Cc1nnnn1CC(=O)N1CCC(c2nc3ccccc3o2)CC1 ZINC000012201949 204382628 /nfs/dbraw/zinc/38/26/28/204382628.db2.gz BVAAIZIDEKDQJJ-UHFFFAOYSA-N 1 2 397.483 2.061 50 0 GEAALO Cc1ncoc1C(=O)NCc1cccnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000012301841 204390363 /nfs/dbraw/zinc/39/03/63/204390363.db2.gz MBQTXYVBPMAROG-UHFFFAOYSA-N 1 2 378.436 2.030 50 0 GEAALO COc1ccc(C[N@@H+]2CCNC(=O)[C@@H]2CC(=O)NCc2ccccc2F)cc1C ZINC000012299408 204391966 /nfs/dbraw/zinc/39/19/66/204391966.db2.gz JCDDTFIXTUCLDV-IBGZPJMESA-N 1 2 399.466 2.150 50 0 GEAALO COc1ccc(C[N@H+]2CCNC(=O)[C@@H]2CC(=O)NCc2ccccc2F)cc1C ZINC000012299408 204391970 /nfs/dbraw/zinc/39/19/70/204391970.db2.gz JCDDTFIXTUCLDV-IBGZPJMESA-N 1 2 399.466 2.150 50 0 GEAALO CC(C)(CNC(=O)COc1ccc(F)cc1Br)[NH+]1CCOCC1 ZINC000014254219 204532568 /nfs/dbraw/zinc/53/25/68/204532568.db2.gz AYGYZGUCZYTELQ-UHFFFAOYSA-N 1 2 389.265 2.194 50 0 GEAALO CCCOc1cc(S(=O)(=O)N2CC[NH+](C)CC2)ccc1Br ZINC000016651749 204597602 /nfs/dbraw/zinc/59/76/02/204597602.db2.gz NHMYITQBBRMQII-UHFFFAOYSA-N 1 2 377.304 2.174 50 0 GEAALO O=C(NC1CC[NH+](CN2C(=O)c3ccccc3C2=O)CC1)c1ccc(F)cc1 ZINC000026649294 204846260 /nfs/dbraw/zinc/84/62/60/204846260.db2.gz GWHSLSDWPLWGCQ-UHFFFAOYSA-N 1 2 381.407 2.274 50 0 GEAALO CCNC(=O)N1CC[NH+]([C@H](C(=O)NCCc2ccccc2)C2CCCC2)CC1 ZINC000036310481 205010792 /nfs/dbraw/zinc/01/07/92/205010792.db2.gz WOFOGDGOUUWMEL-FQEVSTJZSA-N 1 2 386.540 2.251 50 0 GEAALO CC(=O)N[C@H](CC(=O)NCC(C)(C)[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000039977615 205044638 /nfs/dbraw/zinc/04/46/38/205044638.db2.gz FFQSXDQASMJSHF-QGZVFWFLSA-N 1 2 381.904 2.134 50 0 GEAALO C[C@@H](c1nnc(-c2cccs2)o1)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000040024832 205047354 /nfs/dbraw/zinc/04/73/54/205047354.db2.gz ZTCHTQFEBOONLW-STQMWFEESA-N 1 2 375.498 2.144 50 0 GEAALO COc1cc2c(cc1OC)C[N@H+](CCNC(=O)c1cn3ccc(C)cc3n1)CC2 ZINC000040150328 205058607 /nfs/dbraw/zinc/05/86/07/205058607.db2.gz KLXPDTHIERKEDF-UHFFFAOYSA-N 1 2 394.475 2.448 50 0 GEAALO COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)c1cn3ccc(C)cc3n1)CC2 ZINC000040150328 205058611 /nfs/dbraw/zinc/05/86/11/205058611.db2.gz KLXPDTHIERKEDF-UHFFFAOYSA-N 1 2 394.475 2.448 50 0 GEAALO CN(Cc1ccccc1)C(=O)COc1coc(C[NH+]2CCSCC2)cc1=O ZINC000040268685 205061764 /nfs/dbraw/zinc/06/17/64/205061764.db2.gz YHYKZTBORFHTFE-UHFFFAOYSA-N 1 2 388.489 2.226 50 0 GEAALO C[C@@H](C(=O)N1CCOCC1)[NH+]1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000048217383 205114625 /nfs/dbraw/zinc/11/46/25/205114625.db2.gz WNAQOPOEMHIBMD-HNNXBMFYSA-N 1 2 385.430 2.070 50 0 GEAALO Cc1nc(-c2cc(=O)[nH]c(-c3ccccc3C[N@H+]3CCN(C)C(=O)C3)n2)cs1 ZINC000048267902 205115843 /nfs/dbraw/zinc/11/58/43/205115843.db2.gz DPBAHQUSTJQAKO-UHFFFAOYSA-N 1 2 395.488 2.143 50 0 GEAALO Cc1nc(-c2cc(=O)[nH]c(-c3ccccc3C[N@@H+]3CCN(C)C(=O)C3)n2)cs1 ZINC000048267902 205115847 /nfs/dbraw/zinc/11/58/47/205115847.db2.gz DPBAHQUSTJQAKO-UHFFFAOYSA-N 1 2 395.488 2.143 50 0 GEAALO O=C(CCc1ccc2c(c1)OCO2)N1CC[N@H+](Cc2ccco2)[C@@H](CCO)C1 ZINC000055404419 205148608 /nfs/dbraw/zinc/14/86/08/205148608.db2.gz VJCNXGWZXHKMRM-KRWDZBQOSA-N 1 2 386.448 2.036 50 0 GEAALO O=C(CCc1ccc2c(c1)OCO2)N1CC[N@@H+](Cc2ccco2)[C@@H](CCO)C1 ZINC000055404419 205148612 /nfs/dbraw/zinc/14/86/12/205148612.db2.gz VJCNXGWZXHKMRM-KRWDZBQOSA-N 1 2 386.448 2.036 50 0 GEAALO COc1cc(OC)nc(NC(=O)C[N@@H+](Cc2cccs2)C[C@@H]2CCCO2)n1 ZINC000057604124 205159347 /nfs/dbraw/zinc/15/93/47/205159347.db2.gz QQENETMKJLNEMP-ZDUSSCGKSA-N 1 2 392.481 2.175 50 0 GEAALO COc1cc(OC)nc(NC(=O)C[N@H+](Cc2cccs2)C[C@@H]2CCCO2)n1 ZINC000057604124 205159352 /nfs/dbraw/zinc/15/93/52/205159352.db2.gz QQENETMKJLNEMP-ZDUSSCGKSA-N 1 2 392.481 2.175 50 0 GEAALO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(-c3cccc(Cl)c3)n[nH]2)CC1 ZINC000056925474 205153059 /nfs/dbraw/zinc/15/30/59/205153059.db2.gz REIIRFYBGSELJZ-UHFFFAOYSA-N 1 2 389.887 2.014 50 0 GEAALO CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(-c3cccc(Cl)c3)n[nH]2)CC1 ZINC000056925474 205153064 /nfs/dbraw/zinc/15/30/64/205153064.db2.gz REIIRFYBGSELJZ-UHFFFAOYSA-N 1 2 389.887 2.014 50 0 GEAALO CCC(=O)N[C@@H](CCSC)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000058223954 205169828 /nfs/dbraw/zinc/16/98/28/205169828.db2.gz HAHKAXPWZGRKQJ-HNNXBMFYSA-N 1 2 378.473 2.276 50 0 GEAALO Cc1ccc(F)cc1NC(=O)c1ccc2c(c1)nnn2CC[NH+]1CCOCC1 ZINC000065255166 205222880 /nfs/dbraw/zinc/22/28/80/205222880.db2.gz JYHWFMMIWINUSL-UHFFFAOYSA-N 1 2 383.427 2.463 50 0 GEAALO C[C@H]1C[NH+]=C2C(N3CCN(C(=O)Cc4c(F)cccc4Cl)CC3)=NC=CN21 ZINC000065261081 205225034 /nfs/dbraw/zinc/22/50/34/205225034.db2.gz KVKOXJQHUDVQGB-ZDUSSCGKSA-N 1 2 389.862 2.152 50 0 GEAALO O=C(CCC1CCN(c2cc(NC3CC3)[nH+]cn2)CC1)NCc1cnccn1 ZINC000065274175 205226717 /nfs/dbraw/zinc/22/67/17/205226717.db2.gz XJXDBSRPHJLWER-UHFFFAOYSA-N 1 2 381.484 2.154 50 0 GEAALO O=C(CCC1CCN(c2cc(NC3CC3)nc[nH+]2)CC1)NCc1cnccn1 ZINC000065274175 205226719 /nfs/dbraw/zinc/22/67/19/205226719.db2.gz XJXDBSRPHJLWER-UHFFFAOYSA-N 1 2 381.484 2.154 50 0 GEAALO O=C(NC1CCC(O)CC1)N1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000067004062 205240792 /nfs/dbraw/zinc/24/07/92/205240792.db2.gz FLEDBDLVDAPABP-UHFFFAOYSA-N 1 2 391.903 2.118 50 0 GEAALO O=C(NCc1cccnc1)N1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000067004011 205241779 /nfs/dbraw/zinc/24/17/79/205241779.db2.gz OMGWDXYIVWGDCE-UHFFFAOYSA-N 1 2 384.871 2.410 50 0 GEAALO Cc1ccc(C[N@@H+]2CCNC(=O)[C@@H]2Cc2nnc(CCc3ccccc3)[nH]2)cc1 ZINC000067713951 205256729 /nfs/dbraw/zinc/25/67/29/205256729.db2.gz CYSPUMYFBQJLCW-FQEVSTJZSA-N 1 2 389.503 2.441 50 0 GEAALO Cc1ccc(C[N@H+]2CCNC(=O)[C@@H]2Cc2nnc(CCc3ccccc3)[nH]2)cc1 ZINC000067713951 205256733 /nfs/dbraw/zinc/25/67/33/205256733.db2.gz CYSPUMYFBQJLCW-FQEVSTJZSA-N 1 2 389.503 2.441 50 0 GEAALO CC[C@H](C)S(=O)(=O)NCc1cccnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000067820449 205262459 /nfs/dbraw/zinc/26/24/59/205262459.db2.gz NHEZPXLHLZMIHO-INIZCTEOSA-N 1 2 389.525 2.021 50 0 GEAALO Cc1c[nH+]c(C)nc1N1CCC([C@]2(Cc3ccc(F)cc3)NC(=O)NC2=O)CC1 ZINC000067821437 205262470 /nfs/dbraw/zinc/26/24/70/205262470.db2.gz KTWXXNBBAVLYFN-NRFANRHFSA-N 1 2 397.454 2.270 50 0 GEAALO O=C(C[N@H+]1CCC[C@@H](O)C1)N1CCC(c2[nH]ncc2-c2cccc(F)c2)CC1 ZINC000067955738 205268830 /nfs/dbraw/zinc/26/88/30/205268830.db2.gz DZWOHJPVXHWQDJ-GOSISDBHSA-N 1 2 386.471 2.379 50 0 GEAALO O=C(C[N@@H+]1CCC[C@@H](O)C1)N1CCC(c2[nH]ncc2-c2cccc(F)c2)CC1 ZINC000067955738 205268833 /nfs/dbraw/zinc/26/88/33/205268833.db2.gz DZWOHJPVXHWQDJ-GOSISDBHSA-N 1 2 386.471 2.379 50 0 GEAALO Cc1cccnc1-n1cc(C2=CC[N@H+](CC(=O)Nc3cnccn3)CC2)cn1 ZINC000067982677 205270778 /nfs/dbraw/zinc/27/07/78/205270778.db2.gz INGBATMPOXLCES-UHFFFAOYSA-N 1 2 375.436 2.094 50 0 GEAALO Cc1cccnc1-n1cc(C2=CC[N@@H+](CC(=O)Nc3cnccn3)CC2)cn1 ZINC000067982677 205270783 /nfs/dbraw/zinc/27/07/83/205270783.db2.gz INGBATMPOXLCES-UHFFFAOYSA-N 1 2 375.436 2.094 50 0 GEAALO COc1ccc(F)c(CNc2nc(N(C)C)[nH+]c3c2CCN(C(C)=O)C3)c1F ZINC000071748925 205289154 /nfs/dbraw/zinc/28/91/54/205289154.db2.gz HLYYAEJLRLMBMW-UHFFFAOYSA-N 1 2 391.422 2.346 50 0 GEAALO O=S(=O)(Cc1ccc(F)cc1)N1CCN(Cc2c[nH+]c3ccccn23)CC1 ZINC000090609439 205275422 /nfs/dbraw/zinc/27/54/22/205275422.db2.gz GYRWPNHDHKKHGG-UHFFFAOYSA-N 1 2 388.468 2.121 50 0 GEAALO O=C1c2ccccc2C(=O)N1Cc1nn2c(C[NH+]3CCCCCC3)nnc2s1 ZINC000071260622 205279513 /nfs/dbraw/zinc/27/95/13/205279513.db2.gz ABOBXVFOJZYQLY-UHFFFAOYSA-N 1 2 396.476 2.358 50 0 GEAALO NC(=O)C[C@@H]1CCC[N@H+](CC(=O)Nc2cc3c(cc2Cl)OCCCO3)C1 ZINC000072309470 205323383 /nfs/dbraw/zinc/32/33/83/205323383.db2.gz CFABMAOXBLMIOE-LBPRGKRZSA-N 1 2 381.860 2.027 50 0 GEAALO NC(=O)C[C@@H]1CCC[N@@H+](CC(=O)Nc2cc3c(cc2Cl)OCCCO3)C1 ZINC000072309470 205323387 /nfs/dbraw/zinc/32/33/87/205323387.db2.gz CFABMAOXBLMIOE-LBPRGKRZSA-N 1 2 381.860 2.027 50 0 GEAALO O=C(c1ccc2scnc2c1)N1CCn2nc(C[N@H+]3CCC[C@@H](O)C3)cc2C1 ZINC000072430684 205351106 /nfs/dbraw/zinc/35/11/06/205351106.db2.gz QQWOCDBJEHGKQE-QGZVFWFLSA-N 1 2 397.504 2.106 50 0 GEAALO O=C(c1ccc2scnc2c1)N1CCn2nc(C[N@@H+]3CCC[C@@H](O)C3)cc2C1 ZINC000072430684 205351109 /nfs/dbraw/zinc/35/11/09/205351109.db2.gz QQWOCDBJEHGKQE-QGZVFWFLSA-N 1 2 397.504 2.106 50 0 GEAALO CCCCc1nc(Cl)c(CN2CC[N@H+](CCC)[C@@H]3CS(=O)(=O)C[C@@H]32)[nH]1 ZINC000072429080 205351812 /nfs/dbraw/zinc/35/18/12/205351812.db2.gz CNMQCMLSGONQAV-CABCVRRESA-N 1 2 388.965 2.099 50 0 GEAALO CCCCc1nc(Cl)c(CN2CC[N@@H+](CCC)[C@@H]3CS(=O)(=O)C[C@@H]32)[nH]1 ZINC000072429080 205351815 /nfs/dbraw/zinc/35/18/15/205351815.db2.gz CNMQCMLSGONQAV-CABCVRRESA-N 1 2 388.965 2.099 50 0 GEAALO CCn1ccnc1C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc(OC)cc2)C1 ZINC000077370097 205360765 /nfs/dbraw/zinc/36/07/65/205360765.db2.gz MAMOYBXAFGPJQQ-INIZCTEOSA-N 1 2 392.525 2.102 50 0 GEAALO CCn1ccnc1C[N@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc(OC)cc2)C1 ZINC000077370097 205360770 /nfs/dbraw/zinc/36/07/70/205360770.db2.gz MAMOYBXAFGPJQQ-INIZCTEOSA-N 1 2 392.525 2.102 50 0 GEAALO O=C(c1cc(C2CC2)n[nH]1)N1CCn2nc(C[NH+]3CCC(F)(F)CC3)cc2C1 ZINC000072424514 205349515 /nfs/dbraw/zinc/34/95/15/205349515.db2.gz TVGWYCQAXCNNGL-UHFFFAOYSA-N 1 2 390.438 2.371 50 0 GEAALO C[N@@H+]1CCc2n[nH]c(C(=O)N3CCC[C@H]3c3nc(-c4ccccc4)no3)c2C1 ZINC000077535573 205364877 /nfs/dbraw/zinc/36/48/77/205364877.db2.gz BJUKGOSULFHILZ-INIZCTEOSA-N 1 2 378.436 2.425 50 0 GEAALO C[N@H+]1CCc2n[nH]c(C(=O)N3CCC[C@H]3c3nc(-c4ccccc4)no3)c2C1 ZINC000077535573 205364879 /nfs/dbraw/zinc/36/48/79/205364879.db2.gz BJUKGOSULFHILZ-INIZCTEOSA-N 1 2 378.436 2.425 50 0 GEAALO C[NH+]1CCN(S(=O)(=O)c2ccc3c(ccn3C(=O)OC(C)(C)C)c2)CC1 ZINC000080444042 205384759 /nfs/dbraw/zinc/38/47/59/205384759.db2.gz AZTUCDDBRHLQSD-UHFFFAOYSA-N 1 2 379.482 2.361 50 0 GEAALO CN(C)c1cncc(O[C@@H]2CCN(C(=O)c3ccc(Cn4cc[nH+]c4)cc3)C2)n1 ZINC000225398500 206045221 /nfs/dbraw/zinc/04/52/21/206045221.db2.gz JRVORGXZQNEQRL-GOSISDBHSA-N 1 2 392.463 2.081 50 0 GEAALO COCC(=O)Nc1cccc(NC(=O)[C@H](C(C)C)[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000058332254 206100740 /nfs/dbraw/zinc/10/07/40/206100740.db2.gz UXACJPNOUHALFM-DOXZYTNZSA-N 1 2 377.485 2.344 50 0 GEAALO c1ccc([C@H]2NC3=[NH+]CN(C[C@H]4CCCO4)CN3c3nc4ccccc4n32)nc1 ZINC000230088526 206113046 /nfs/dbraw/zinc/11/30/46/206113046.db2.gz ZWEYEQXNLPEXDB-BEFAXECRSA-N 1 2 389.463 2.153 50 0 GEAALO O=C(CC[C@H]1NC(=O)N(c2cccc3ccccc32)C1=O)NCCc1c[nH+]c[nH]1 ZINC000252484392 206139070 /nfs/dbraw/zinc/13/90/70/206139070.db2.gz FVDVWBTZVRSWOF-QGZVFWFLSA-N 1 2 391.431 2.331 50 0 GEAALO O=C(CC[C@H]1NC(=O)N(c2cccc3ccccc32)C1=O)NCCc1c[nH]c[nH+]1 ZINC000252484392 206139076 /nfs/dbraw/zinc/13/90/76/206139076.db2.gz FVDVWBTZVRSWOF-QGZVFWFLSA-N 1 2 391.431 2.331 50 0 GEAALO CC(=O)N1CC[NH+](Cc2ccc3c(c2)CN(C(=O)c2ccoc2C)CCO3)CC1 ZINC000299755836 206184667 /nfs/dbraw/zinc/18/46/67/206184667.db2.gz DIWWRWBXCSNULX-UHFFFAOYSA-N 1 2 397.475 2.287 50 0 GEAALO COC(=O)[C@@H]1C[C@@H](NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)C[N@@H+]1C(C)C ZINC000299779510 206190403 /nfs/dbraw/zinc/19/04/03/206190403.db2.gz HPIDQHMIULKXJN-UXHICEINSA-N 1 2 398.507 2.302 50 0 GEAALO COC(=O)[C@@H]1C[C@@H](NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)C[N@H+]1C(C)C ZINC000299779510 206190408 /nfs/dbraw/zinc/19/04/08/206190408.db2.gz HPIDQHMIULKXJN-UXHICEINSA-N 1 2 398.507 2.302 50 0 GEAALO CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1Cc1cccc(Br)n1 ZINC000328593246 206194882 /nfs/dbraw/zinc/19/48/82/206194882.db2.gz DZVMCCLOAPFXND-CYBMUJFWSA-N 1 2 376.320 2.138 50 0 GEAALO CS(=O)(=O)NCC[C@H]1CCCC[N@H+]1Cc1cccc(Br)n1 ZINC000328593246 206194888 /nfs/dbraw/zinc/19/48/88/206194888.db2.gz DZVMCCLOAPFXND-CYBMUJFWSA-N 1 2 376.320 2.138 50 0 GEAALO COC(=O)c1csc(N2[NH2+]C3=C(COc4ccccc43)[C@]2(O)C(F)(F)F)n1 ZINC000005275040 206215926 /nfs/dbraw/zinc/21/59/26/206215926.db2.gz HCNVRRYNDYLIDJ-PSLIRLAXSA-N 1 2 399.350 2.414 50 0 GEAALO CSc1cccc(NC(=O)CNC(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000061718508 136155955 /nfs/dbraw/zinc/15/59/55/136155955.db2.gz LERDKYYXHDNXJV-UHFFFAOYSA-N 1 2 385.493 2.274 50 0 GEAALO Cn1nccc1-c1csc(S(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000065112364 136159207 /nfs/dbraw/zinc/15/92/07/136159207.db2.gz MLZVCACJFXVFDL-UHFFFAOYSA-N 1 2 389.506 2.055 50 0 GEAALO Nc1nc(N2CCN(c3cccc[nH+]3)CC2)ncc1C(=O)Nc1ccccc1 ZINC000065154639 136159658 /nfs/dbraw/zinc/15/96/58/136159658.db2.gz YGQOFQLPAZMPFY-UHFFFAOYSA-N 1 2 375.436 2.033 50 0 GEAALO Cc1cc(C)cc(NC(=O)c2cn(-c3cc(N4CCOCC4)[nH+]cn3)cn2)c1 ZINC000065239940 136161174 /nfs/dbraw/zinc/16/11/74/136161174.db2.gz BIIIWIKZFRREIR-UHFFFAOYSA-N 1 2 378.436 2.368 50 0 GEAALO COc1ccc(CC[N@H+](C)[C@H]2CCCN(c3ncccc3C(N)=O)C2)cc1OC ZINC000072156607 136167160 /nfs/dbraw/zinc/16/71/60/136167160.db2.gz WXSQJRPENBHUSF-KRWDZBQOSA-N 1 2 398.507 2.341 50 0 GEAALO COc1ccc(CC[N@@H+](C)[C@H]2CCCN(c3ncccc3C(N)=O)C2)cc1OC ZINC000072156607 136167161 /nfs/dbraw/zinc/16/71/61/136167161.db2.gz WXSQJRPENBHUSF-KRWDZBQOSA-N 1 2 398.507 2.341 50 0 GEAALO CC(=O)N1CC[NH+](Cc2cc3cc(C)ccc3nc2N2CCC[C@H](O)C2)CC1 ZINC000072469851 136171064 /nfs/dbraw/zinc/17/10/64/136171064.db2.gz SZIDWNSSFIANEO-FQEVSTJZSA-N 1 2 382.508 2.168 50 0 GEAALO Nc1cc(N2CCC3(CC(=O)N(Cc4ccc(Cl)cc4)C3)CC2)nc(N)[nH+]1 ZINC000077354778 136171983 /nfs/dbraw/zinc/17/19/83/136171983.db2.gz YDKRTJXEOZHQPJ-UHFFFAOYSA-N 1 2 386.887 2.314 50 0 GEAALO Nc1cc(N2CCC3(CC(=O)N(Cc4ccc(Cl)cc4)C3)CC2)[nH+]c(N)n1 ZINC000077354778 136171984 /nfs/dbraw/zinc/17/19/84/136171984.db2.gz YDKRTJXEOZHQPJ-UHFFFAOYSA-N 1 2 386.887 2.314 50 0 GEAALO CCCS(=O)(=O)N1CCN(c2cc(Nc3cc(C)ccn3)nc(C)[nH+]2)CC1 ZINC000090607973 136176136 /nfs/dbraw/zinc/17/61/36/136176136.db2.gz ZLCDKABHIFKKRX-UHFFFAOYSA-N 1 2 390.513 2.094 50 0 GEAALO CN(C)c1cc(N2CCC[C@]3(CCC(=O)N(Cc4cccnc4)C3)C2)nc[nH+]1 ZINC000091587058 136176725 /nfs/dbraw/zinc/17/67/25/136176725.db2.gz HYXSOUMXRIBEEZ-NRFANRHFSA-N 1 2 380.496 2.347 50 0 GEAALO CN(C)c1cc(N2CCC[C@]3(CCC(=O)N(Cc4cccnc4)C3)C2)[nH+]cn1 ZINC000091587058 136176726 /nfs/dbraw/zinc/17/67/26/136176726.db2.gz HYXSOUMXRIBEEZ-NRFANRHFSA-N 1 2 380.496 2.347 50 0 GEAALO O=C([O-])[C@@H](c1ccc(N2CCCCC2)nc1)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000095380617 136178646 /nfs/dbraw/zinc/17/86/46/136178646.db2.gz YPBPPPSVDIOIIV-HXUWFJFHSA-N 1 2 381.480 2.415 50 0 GEAALO COc1cccc2ncnc(N3CC[NH+](CC(=O)NCc4ccccc4)CC3)c21 ZINC000095467683 136179405 /nfs/dbraw/zinc/17/94/05/136179405.db2.gz VEOMXPXCTMNBSK-UHFFFAOYSA-N 1 2 391.475 2.077 50 0 GEAALO O=C(/C=C\c1cnn(-c2ccccc2)c1)NCc1ccc[nH+]c1N1CCOCC1 ZINC000097015909 136187971 /nfs/dbraw/zinc/18/79/71/136187971.db2.gz YYWLTSWOWYVXEZ-HJWRWDBZSA-N 1 2 389.459 2.434 50 0 GEAALO CC(=O)Oc1ccc(N2C(=O)C[C@H]([NH+]3CCN(c4ccccc4)CC3)C2=O)cc1 ZINC000100028681 136188909 /nfs/dbraw/zinc/18/89/09/136188909.db2.gz ZSUAGJQOXSSMDX-FQEVSTJZSA-N 1 2 393.443 2.066 50 0 GEAALO Cc1cccnc1C[NH+]1CCN(C(=O)COCc2nc3ccccc3[nH]2)CC1 ZINC000072475960 222265142 /nfs/dbraw/zinc/26/51/42/222265142.db2.gz XZSBXTIPQHXNDY-UHFFFAOYSA-N 1 2 379.464 2.127 50 0 GEAALO C[C@@H](Cc1cccnc1)NC(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000426597273 534254371 /nfs/dbraw/zinc/25/43/71/534254371.db2.gz SETZESHOXCNFBZ-INIZCTEOSA-N 1 2 382.464 2.269 50 0 GEAALO O=C(C[N@H+]1CCCC[C@@H]1[C@@H](O)C(F)(F)F)NC[C@H]1CCN(c2ccccc2)C1 ZINC000241383189 534528967 /nfs/dbraw/zinc/52/89/67/534528967.db2.gz MTDGLCYDHARZGY-SZVBFZGTSA-N 1 2 399.457 2.407 50 0 GEAALO O=C(C[N@@H+]1CCCC[C@@H]1[C@@H](O)C(F)(F)F)NC[C@H]1CCN(c2ccccc2)C1 ZINC000241383189 534528973 /nfs/dbraw/zinc/52/89/73/534528973.db2.gz MTDGLCYDHARZGY-SZVBFZGTSA-N 1 2 399.457 2.407 50 0 GEAALO Cn1c(C[NH+]2CCCCC2)nnc1[C@@H]1CCCN(C(=O)Cc2cccnc2)C1 ZINC000426640407 534686324 /nfs/dbraw/zinc/68/63/24/534686324.db2.gz PCFHMOGYVOHHGC-GOSISDBHSA-N 1 2 382.512 2.145 50 0 GEAALO CC(C)Oc1cccc(C(=O)N[C@@H]2CC[N@H+](Cc3cscn3)C[C@H]2O)c1 ZINC000426435037 528216743 /nfs/dbraw/zinc/21/67/43/528216743.db2.gz VKIXGBINDWULRA-QZTJIDSGSA-N 1 2 375.494 2.296 50 0 GEAALO CC(C)Oc1cccc(C(=O)N[C@@H]2CC[N@@H+](Cc3cscn3)C[C@H]2O)c1 ZINC000426435037 528216747 /nfs/dbraw/zinc/21/67/47/528216747.db2.gz VKIXGBINDWULRA-QZTJIDSGSA-N 1 2 375.494 2.296 50 0 GEAALO CCCn1ncnc1[C@H](C)NC(=O)c1ccc(-c2nc(NC)cc(C)[nH+]2)cc1 ZINC000426445651 528902519 /nfs/dbraw/zinc/90/25/19/528902519.db2.gz QUSZNZUTOVCHJX-AWEZNQCLSA-N 1 2 379.468 2.408 50 0 GEAALO Cn1c(C[NH+]2CCCC2)nnc1C1CCN(C(=O)CCc2ccncc2)CC1 ZINC000096164623 570217931 /nfs/dbraw/zinc/21/79/31/570217931.db2.gz OPIMJRAVAQQOSS-UHFFFAOYSA-N 1 2 382.512 2.145 50 0 GEAALO C[C@@H]1C[NH+](C[C@@H]2CCCN2S(=O)(=O)c2cccc3cnccc32)C[C@@H](C)O1 ZINC000048285952 570231599 /nfs/dbraw/zinc/23/15/99/570231599.db2.gz VHVDSXNRYPGZTM-NUJGCVRESA-N 1 2 389.521 2.497 50 0 GEAALO CCCCn1c(N)c(C(=O)NCC[NH+]2CCOCC2)c2nc3ccccc3nc21 ZINC000019939427 570232529 /nfs/dbraw/zinc/23/25/29/570232529.db2.gz UULVYDHBIHOGQV-UHFFFAOYSA-N 1 2 396.495 2.029 50 0 GEAALO CC(=O)O[C@H](C(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1)c1ccccc1 ZINC000019973666 570233949 /nfs/dbraw/zinc/23/39/49/570233949.db2.gz ZGVSTTZXYVOUFS-NRFANRHFSA-N 1 2 396.443 2.364 50 0 GEAALO COC(=O)c1ccc(S(=O)(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)cc1 ZINC000048332583 570237250 /nfs/dbraw/zinc/23/72/50/570237250.db2.gz STLRCJWADIQDLT-INIZCTEOSA-N 1 2 378.450 2.182 50 0 GEAALO CN(C)c1ccc(C(=O)N(Cc2ccccc2)[C@H](CO)Cc2c[nH+]c[nH]2)cn1 ZINC000097244209 570240122 /nfs/dbraw/zinc/24/01/22/570240122.db2.gz NWDIOHSCGCIAEG-IBGZPJMESA-N 1 2 379.464 2.117 50 0 GEAALO CN(C)c1ccc(C(=O)N(Cc2ccccc2)[C@H](CO)Cc2c[nH]c[nH+]2)cn1 ZINC000097244209 570240123 /nfs/dbraw/zinc/24/01/23/570240123.db2.gz NWDIOHSCGCIAEG-IBGZPJMESA-N 1 2 379.464 2.117 50 0 GEAALO CCc1[nH+]c2ccccc2n1CC(=O)Nc1nc(-c2ccccc2OC)n[nH]1 ZINC000048363890 570245250 /nfs/dbraw/zinc/24/52/50/570245250.db2.gz HJZIISHEMOKGFZ-UHFFFAOYSA-N 1 2 376.420 2.453 50 0 GEAALO CCOc1ccc(C[NH+]2CCC([N@@H+]3CCC[C@@H](C(=O)[O-])C3)CC2)cc1CO ZINC000097574962 570247019 /nfs/dbraw/zinc/24/70/19/570247019.db2.gz FKPCYWAOKBTXLK-QGZVFWFLSA-N 1 2 376.497 2.339 50 0 GEAALO CCOc1ccc(C[NH+]2CCC([N@H+]3CCC[C@@H](C(=O)[O-])C3)CC2)cc1CO ZINC000097574962 570247022 /nfs/dbraw/zinc/24/70/22/570247022.db2.gz FKPCYWAOKBTXLK-QGZVFWFLSA-N 1 2 376.497 2.339 50 0 GEAALO OCC[C@@H]1C[N@H+](Cc2cccn2-c2ncccn2)CCN1Cc1ccsc1 ZINC000020351537 570252495 /nfs/dbraw/zinc/25/24/95/570252495.db2.gz RQPAHRCAZLFCIX-GOSISDBHSA-N 1 2 383.521 2.398 50 0 GEAALO OCC[C@@H]1C[N@@H+](Cc2cccn2-c2ncccn2)CCN1Cc1ccsc1 ZINC000020351537 570252498 /nfs/dbraw/zinc/25/24/98/570252498.db2.gz RQPAHRCAZLFCIX-GOSISDBHSA-N 1 2 383.521 2.398 50 0 GEAALO O=C(N[C@H]1COc2ccccc2C1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000015787219 570253741 /nfs/dbraw/zinc/25/37/41/570253741.db2.gz VXDVVIYINWLZHA-GOSISDBHSA-N 1 2 395.459 2.246 50 0 GEAALO Cc1c(C(=O)N2CCCCC2)sc2ncnc(NCC[NH+]3CCOCC3)c12 ZINC000020448883 570255985 /nfs/dbraw/zinc/25/59/85/570255985.db2.gz LNNGSFRCAPBJFG-UHFFFAOYSA-N 1 2 389.525 2.370 50 0 GEAALO O=C1CN(Cc2[nH]cc[nH+]2)C[C@@H](OCc2cccnc2)CN1C1CCCCC1 ZINC000020455172 570258549 /nfs/dbraw/zinc/25/85/49/570258549.db2.gz XLQRBWXVIJHJBF-LJQANCHMSA-N 1 2 383.496 2.367 50 0 GEAALO O=C1C[C@H](c2cccc(Cl)c2)Cc2nc(N3CC[NH+](CCO)CC3)ncc21 ZINC000020478094 570261446 /nfs/dbraw/zinc/26/14/46/570261446.db2.gz NDSORMZQVSQKBW-OAHLLOKOSA-N 1 2 386.883 2.157 50 0 GEAALO O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CC(c2nc(-c3cnccn3)no2)C1 ZINC000049485011 570268231 /nfs/dbraw/zinc/26/82/31/570268231.db2.gz LQHAQFRUYUKWKJ-UHFFFAOYSA-N 1 2 387.403 2.011 50 0 GEAALO CCCOc1ccc(N2C(=O)C[C@H]([NH+]3CCC(C(=O)OCC)CC3)C2=O)cc1 ZINC000002221514 570279472 /nfs/dbraw/zinc/27/94/72/570279472.db2.gz WLRBRLHIZWBIQE-SFHVURJKSA-N 1 2 388.464 2.382 50 0 GEAALO Cc1cnc(CNC(=O)C2([N@H+]3C[C@@H](C)O[C@@H](C)C3)Cc3ccccc3C2)cn1 ZINC000020782658 570280266 /nfs/dbraw/zinc/28/02/66/570280266.db2.gz UEMWLYYCYGQLPY-CALCHBBNSA-N 1 2 380.492 2.048 50 0 GEAALO Cc1cnc(CNC(=O)C2([N@@H+]3C[C@@H](C)O[C@@H](C)C3)Cc3ccccc3C2)cn1 ZINC000020782658 570280269 /nfs/dbraw/zinc/28/02/69/570280269.db2.gz UEMWLYYCYGQLPY-CALCHBBNSA-N 1 2 380.492 2.048 50 0 GEAALO COc1cccc(C(=O)N2CC[NH+](Cc3cc(=O)c4ccccc4[nH]3)CC2)c1 ZINC000015865375 570280279 /nfs/dbraw/zinc/28/02/79/570280279.db2.gz DWGXHJMDYPANTO-UHFFFAOYSA-N 1 2 377.444 2.495 50 0 GEAALO CC(C)=CCN1CC2(CC1=O)CC[NH+](Cc1cc(=O)n3[nH]c(C)cc3n1)CC2 ZINC000102489126 570289560 /nfs/dbraw/zinc/28/95/60/570289560.db2.gz HCLJFPBRERFLON-UHFFFAOYSA-N 1 2 383.496 2.112 50 0 GEAALO CCOc1ccc2[nH]c(SCC(=O)NCC(C)(C)[NH+]3CCOCC3)nc2c1 ZINC000022132261 570306067 /nfs/dbraw/zinc/30/60/67/570306067.db2.gz DTKVXJQHJQSZJA-UHFFFAOYSA-N 1 2 392.525 2.281 50 0 GEAALO O=C(Cn1cnc2ccccc2c1=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000022238170 570309830 /nfs/dbraw/zinc/30/98/30/570309830.db2.gz DAPBWVRCRNAGAE-UHFFFAOYSA-N 1 2 383.477 2.478 50 0 GEAALO O=C(C[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1)N1CCc2ccccc2C1 ZINC000022773102 570326913 /nfs/dbraw/zinc/32/69/13/570326913.db2.gz WCOWCABTYZIPNX-UHFFFAOYSA-N 1 2 393.487 2.118 50 0 GEAALO O=C(CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1)N1CCc2ccccc2C1 ZINC000022773102 570326915 /nfs/dbraw/zinc/32/69/15/570326915.db2.gz WCOWCABTYZIPNX-UHFFFAOYSA-N 1 2 393.487 2.118 50 0 GEAALO Cc1cc(C)c(NC(=O)CN2CC[NH+](CC(=O)N3CCCC3)CC2)c(Cl)c1 ZINC000022913242 570334309 /nfs/dbraw/zinc/33/43/09/570334309.db2.gz BUCYNKHKVIRLRU-UHFFFAOYSA-N 1 2 392.931 2.135 50 0 GEAALO C[C@@H](C(=O)Nc1ccccc1F)N1CC[NH+](CC(=O)N2CCCCCC2)CC1 ZINC000022930348 570336805 /nfs/dbraw/zinc/33/68/05/570336805.db2.gz VQNNAROBVCLZFE-KRWDZBQOSA-N 1 2 390.503 2.173 50 0 GEAALO COC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000575614042 570339844 /nfs/dbraw/zinc/33/98/44/570339844.db2.gz VNAQQTBFJHPENQ-INIZCTEOSA-N 1 2 391.449 2.492 50 0 GEAALO O=C(NCc1ccccc1)N1CCC(n2cc(C[N@@H+]3CCCOCC3)nn2)CC1 ZINC000023128669 570345179 /nfs/dbraw/zinc/34/51/79/570345179.db2.gz XZNIYBXINAEWGV-UHFFFAOYSA-N 1 2 398.511 2.047 50 0 GEAALO O=C(NCc1ccccc1)N1CCC(n2cc(C[N@H+]3CCCOCC3)nn2)CC1 ZINC000023128669 570345183 /nfs/dbraw/zinc/34/51/83/570345183.db2.gz XZNIYBXINAEWGV-UHFFFAOYSA-N 1 2 398.511 2.047 50 0 GEAALO CCCCn1nc(C(=O)N[C@@H](c2[nH+]ccn2C)c2cccc(F)c2)ccc1=O ZINC000023780291 570372300 /nfs/dbraw/zinc/37/23/00/570372300.db2.gz AOHSPCXXYSGOKK-GOSISDBHSA-N 1 2 383.427 2.435 50 0 GEAALO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CN2C(=O)C(=O)N(CC(C)C)C2=O)c1 ZINC000023851991 570373633 /nfs/dbraw/zinc/37/36/33/570373633.db2.gz OVOAOKUMYMQSRK-INIZCTEOSA-N 1 2 389.452 2.245 50 0 GEAALO COc1ccc(OC)c([C@@H]2CCC[N@H+]2CN2C(=O)C(=O)N(CC(C)C)C2=O)c1 ZINC000023851991 570373635 /nfs/dbraw/zinc/37/36/35/570373635.db2.gz OVOAOKUMYMQSRK-INIZCTEOSA-N 1 2 389.452 2.245 50 0 GEAALO O=C(c1cc(=O)[nH]c2ccccc21)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000023872978 570374575 /nfs/dbraw/zinc/37/45/75/570374575.db2.gz QVMBTRIWLQHRLY-UHFFFAOYSA-N 1 2 389.455 2.421 50 0 GEAALO COCCNC(=O)NC(=O)C[N@@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000016384409 570377041 /nfs/dbraw/zinc/37/70/41/570377041.db2.gz SETNPHOGWPFMBO-INIZCTEOSA-N 1 2 379.507 2.229 50 0 GEAALO COCCNC(=O)NC(=O)C[N@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000016384409 570377044 /nfs/dbraw/zinc/37/70/44/570377044.db2.gz SETNPHOGWPFMBO-INIZCTEOSA-N 1 2 379.507 2.229 50 0 GEAALO CCOC(=O)c1c(C)c(CCC(=O)N2CCN(c3cccc[nH+]3)CC2)n(C)c1C ZINC000035509441 570379857 /nfs/dbraw/zinc/37/98/57/570379857.db2.gz CBNFHCSYQFVJBS-UHFFFAOYSA-N 1 2 398.507 2.495 50 0 GEAALO CN(C)c1cccc(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)c1 ZINC000024178583 570379967 /nfs/dbraw/zinc/37/99/67/570379967.db2.gz ONEIJQCLOJEJAE-UHFFFAOYSA-N 1 2 381.476 2.482 50 0 GEAALO COc1ccc(S(=O)(=O)NCc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000024193316 570380367 /nfs/dbraw/zinc/38/03/67/570380367.db2.gz BJQKSZBUFZSSSG-UHFFFAOYSA-N 1 2 376.478 2.006 50 0 GEAALO O=C(N[C@@H]1CCOC[C@H]1Oc1ccccn1)c1cnc(C[NH+]2CCCC2)s1 ZINC000220231441 570383924 /nfs/dbraw/zinc/38/39/24/570383924.db2.gz JFZRPZKAAUNHAU-HUUCEWRRSA-N 1 2 388.493 2.100 50 0 GEAALO CCS(=O)(=O)Nc1ccc(C(=O)N2CCC[C@@H](Cn3cc[nH+]c3)C2)cc1 ZINC000220468668 570386718 /nfs/dbraw/zinc/38/67/18/570386718.db2.gz CMHHTAZQRCDPRH-HNNXBMFYSA-N 1 2 376.482 2.197 50 0 GEAALO O=C(c1cnc2cc(Cl)ccc2c1O)N1CCC(O)(Cn2cc[nH+]c2)CC1 ZINC000220633875 570389847 /nfs/dbraw/zinc/38/98/47/570389847.db2.gz KCAXGVIOXONQHI-UHFFFAOYSA-N 1 2 386.839 2.458 50 0 GEAALO C[C@@H]1C[N@@H+](CCNC(=O)c2cnn(Cc3ccccc3Cl)c2)C[C@H](C)O1 ZINC000032903665 570396216 /nfs/dbraw/zinc/39/62/16/570396216.db2.gz BPDYPXRHGFHSBQ-GASCZTMLSA-N 1 2 376.888 2.424 50 0 GEAALO C[C@@H]1C[N@H+](CCNC(=O)c2cnn(Cc3ccccc3Cl)c2)C[C@H](C)O1 ZINC000032903665 570396217 /nfs/dbraw/zinc/39/62/17/570396217.db2.gz BPDYPXRHGFHSBQ-GASCZTMLSA-N 1 2 376.888 2.424 50 0 GEAALO CS(=O)(=O)Nc1cccc(C(=O)N2CC[NH+](Cc3ccsc3)CC2)c1 ZINC000025397388 570412785 /nfs/dbraw/zinc/41/27/85/570412785.db2.gz SNIRIHDGULAETP-UHFFFAOYSA-N 1 2 379.507 2.078 50 0 GEAALO COc1cccc(CN2CC[N@H+](Cc3cccc4c3OCO4)C[C@H]2CCO)c1 ZINC000036385809 570422570 /nfs/dbraw/zinc/42/25/70/570422570.db2.gz HUZQVYYNROYOQN-LJQANCHMSA-N 1 2 384.476 2.493 50 0 GEAALO COc1cccc(CN2CC[N@@H+](Cc3cccc4c3OCO4)C[C@H]2CCO)c1 ZINC000036385809 570422571 /nfs/dbraw/zinc/42/25/71/570422571.db2.gz HUZQVYYNROYOQN-LJQANCHMSA-N 1 2 384.476 2.493 50 0 GEAALO COc1ccc(C[N@H+](C)Cc2nn3c(nc(C)cc3=O)s2)c(OC)c1OC ZINC000026473190 570426013 /nfs/dbraw/zinc/42/60/13/570426013.db2.gz KRPQZBHHGKQMIO-UHFFFAOYSA-N 1 2 390.465 2.117 50 0 GEAALO COc1ccc(C[N@@H+](C)Cc2nn3c(nc(C)cc3=O)s2)c(OC)c1OC ZINC000026473190 570426014 /nfs/dbraw/zinc/42/60/14/570426014.db2.gz KRPQZBHHGKQMIO-UHFFFAOYSA-N 1 2 390.465 2.117 50 0 GEAALO CC1=[NH+]N(Cc2ccc(Cl)cc2)c2nc3c(c(=O)n(C)c(=O)n3C)n2[C@H]1C ZINC000005148021 570427367 /nfs/dbraw/zinc/42/73/67/570427367.db2.gz LORRXIIDNGABFO-NSHDSACASA-N 1 2 386.843 2.044 50 0 GEAALO CC1=[NH+]N(Cc2ccc(Cl)cc2)c2nc3c(c(=O)n(C)c(=O)n3C)n2[C@@H]1C ZINC000005148020 570427410 /nfs/dbraw/zinc/42/74/10/570427410.db2.gz LORRXIIDNGABFO-LLVKDONJSA-N 1 2 386.843 2.044 50 0 GEAALO C[C@@H](C(=O)Nc1ccc(Cl)cc1)N1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC000027376704 570433939 /nfs/dbraw/zinc/43/39/39/570433939.db2.gz SBJZWTMZEPTYFO-INIZCTEOSA-N 1 2 392.931 2.297 50 0 GEAALO Cc1ccc(-n2c(O)c([C@@H]3[NH2+]CCc4c5ccccc5[nH]c43)c(=O)[nH]c2=O)cc1 ZINC000100754588 570440568 /nfs/dbraw/zinc/44/05/68/570440568.db2.gz ACBZHHBZYQWZKB-IBGZPJMESA-N 1 2 388.427 2.256 50 0 GEAALO CC(C)(C)C1CCC2(CC1)NC(=O)N(C[NH+]1CCC3(CC1)OCCO3)C2=O ZINC000028066421 570450436 /nfs/dbraw/zinc/45/04/36/570450436.db2.gz LNCRBCHXZCZLLB-UHFFFAOYSA-N 1 2 379.501 2.310 50 0 GEAALO COc1cccc([C@@H](NC(=O)CCNC(=O)c2ccco2)c2[nH+]ccn2C)c1 ZINC000029091326 570468180 /nfs/dbraw/zinc/46/81/80/570468180.db2.gz WSDVFSHFRSLQSH-GOSISDBHSA-N 1 2 382.420 2.047 50 0 GEAALO Cn1cc[nH+]c1[C@@H](NC(=O)Cc1n[nH]c(=O)c2ccccc12)c1cccc(F)c1 ZINC000029080438 570468297 /nfs/dbraw/zinc/46/82/97/570468297.db2.gz GSEPAPJPTIXEQB-IBGZPJMESA-N 1 2 391.406 2.244 50 0 GEAALO C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(Cc2nc(-c3ccccc3)no2)CC1 ZINC000029678617 570478084 /nfs/dbraw/zinc/47/80/84/570478084.db2.gz FSKCHXQICTXGEB-QGZVFWFLSA-N 1 2 383.496 2.255 50 0 GEAALO CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)C[NH+]2CCC(C)CC2)c1 ZINC000330645145 570480716 /nfs/dbraw/zinc/48/07/16/570480716.db2.gz TUNCPSSEZMFVOD-UHFFFAOYSA-N 1 2 383.514 2.093 50 0 GEAALO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC000030216619 570486996 /nfs/dbraw/zinc/48/69/96/570486996.db2.gz HIYRJVFSOHWUJS-GOSISDBHSA-N 1 2 378.432 2.189 50 0 GEAALO C[NH+]1CCN(S(=O)(=O)c2ccc(SCc3ccccc3F)nc2)CC1 ZINC000034871962 570546291 /nfs/dbraw/zinc/54/62/91/570546291.db2.gz IPUSBNUYZQONDT-UHFFFAOYSA-N 1 2 381.498 2.449 50 0 GEAALO O=C(c1n[nH]nc1-c1ccccc1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000206650970 570659941 /nfs/dbraw/zinc/65/99/41/570659941.db2.gz QIHKYELICRPCPQ-UHFFFAOYSA-N 1 2 391.431 2.158 50 0 GEAALO CC(=O)N1CCN(c2[nH+]cccc2CNC(=O)CCc2cccc(F)c2)CC1 ZINC000012475794 570673722 /nfs/dbraw/zinc/67/37/22/570673722.db2.gz HAKGIUIRQDPKGU-UHFFFAOYSA-N 1 2 384.455 2.138 50 0 GEAALO C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(NC(=O)Cn3cc[nH+]c3)cc2)C1 ZINC000012627338 570692016 /nfs/dbraw/zinc/69/20/16/570692016.db2.gz UKOQXUIKOQPDIW-GASCZTMLSA-N 1 2 376.482 2.188 50 0 GEAALO COc1ccccc1C[N@@H+]1CCNC(=O)[C@H]1CC(=O)NCc1ccc(C)cc1 ZINC000012704398 570699942 /nfs/dbraw/zinc/69/99/42/570699942.db2.gz BYMCGHGBLDKMLY-LJQANCHMSA-N 1 2 381.476 2.011 50 0 GEAALO COc1ccccc1C[N@H+]1CCNC(=O)[C@H]1CC(=O)NCc1ccc(C)cc1 ZINC000012704398 570699947 /nfs/dbraw/zinc/69/99/47/570699947.db2.gz BYMCGHGBLDKMLY-LJQANCHMSA-N 1 2 381.476 2.011 50 0 GEAALO Cc1cccc(-n2c(O)c([C@@H]3[NH2+]CCc4c5ccccc5[nH]c43)c(=O)[nH]c2=O)c1 ZINC000017194529 570701668 /nfs/dbraw/zinc/70/16/68/570701668.db2.gz SIDDZCWUMCZWPZ-IBGZPJMESA-N 1 2 388.427 2.256 50 0 GEAALO COC(=O)c1ccc(S(=O)(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2)cc1 ZINC000017521652 570705696 /nfs/dbraw/zinc/70/56/96/570705696.db2.gz HLRKZCOCRJOVBG-KRWDZBQOSA-N 1 2 385.445 2.275 50 0 GEAALO CCCCOc1ccc(S(=O)(=O)N2CC[NH+](CCO)CC2)c2ccccc12 ZINC000012869924 570725569 /nfs/dbraw/zinc/72/55/69/570725569.db2.gz CYKXZVVRQIGPIG-UHFFFAOYSA-N 1 2 392.521 2.317 50 0 GEAALO Cn1c(CCc2[nH]c3ccccc3[nH+]2)nnc1SCC(=O)NCc1ccco1 ZINC000000929961 570726392 /nfs/dbraw/zinc/72/63/92/570726392.db2.gz GAQKLBRJHRNHCG-UHFFFAOYSA-N 1 2 396.476 2.478 50 0 GEAALO Cn1cc[nH+]c1[C@H](NS(=O)(=O)c1cccc2nsnc21)c1ccccc1 ZINC000019080123 570731100 /nfs/dbraw/zinc/73/11/00/570731100.db2.gz SHDSISJTXVWDSE-OAHLLOKOSA-N 1 2 385.474 2.493 50 0 GEAALO O=C(CCC(=O)c1ccc(F)cc1F)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000052517145 570752145 /nfs/dbraw/zinc/75/21/45/570752145.db2.gz ARKJCPIWMVUWQD-UHFFFAOYSA-N 1 2 389.402 2.476 50 0 GEAALO Cc1cc(N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)nc(C(C)C)[nH+]1 ZINC000032717218 570756146 /nfs/dbraw/zinc/75/61/46/570756146.db2.gz AODMOJRDOMTJSQ-GOSISDBHSA-N 1 2 382.464 2.397 50 0 GEAALO Cc1ccc(Cn2c(C[NH+]3CCC(C)CC3)nc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000013607539 570761955 /nfs/dbraw/zinc/76/19/55/570761955.db2.gz GMSXGIFOPLITKR-UHFFFAOYSA-N 1 2 395.507 2.022 50 0 GEAALO Cc1c2ccc(O)cc2oc(=O)c1CC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000013624656 570763435 /nfs/dbraw/zinc/76/34/35/570763435.db2.gz KHFABWOWDWCWOE-UHFFFAOYSA-N 1 2 379.416 2.093 50 0 GEAALO COc1cc(-c2n[nH]c(=S)n2CCC[NH+]2CCOCC2)cc(OC)c1OC ZINC000013692274 570776364 /nfs/dbraw/zinc/77/63/64/570776364.db2.gz KHHUUYXZKYOLLX-UHFFFAOYSA-N 1 2 394.497 2.356 50 0 GEAALO O=C(Nc1ccccc1)[C@@H]1CCCN(c2cc(N3CCC[C@@H]3CO)nc[nH+]2)C1 ZINC000169983611 570776968 /nfs/dbraw/zinc/77/69/68/570776968.db2.gz DOPAFZYRIPPEEL-SJLPKXTDSA-N 1 2 381.480 2.293 50 0 GEAALO O=C(Nc1ccccc1)[C@@H]1CCCN(c2cc(N3CCC[C@@H]3CO)[nH+]cn2)C1 ZINC000169983611 570776971 /nfs/dbraw/zinc/77/69/71/570776971.db2.gz DOPAFZYRIPPEEL-SJLPKXTDSA-N 1 2 381.480 2.293 50 0 GEAALO CC[N@H+](CCCNC(=O)[C@H]1CCCN(c2cnn(C)c(=O)c2)C1)c1ccccc1 ZINC000065314134 570796643 /nfs/dbraw/zinc/79/66/43/570796643.db2.gz LOBOXZJPAAKODO-SFHVURJKSA-N 1 2 397.523 2.030 50 0 GEAALO CC[N@@H+](CCCNC(=O)[C@H]1CCCN(c2cnn(C)c(=O)c2)C1)c1ccccc1 ZINC000065314134 570796647 /nfs/dbraw/zinc/79/66/47/570796647.db2.gz LOBOXZJPAAKODO-SFHVURJKSA-N 1 2 397.523 2.030 50 0 GEAALO COc1ccc(CCNC(=O)NCc2ccc(-n3cc[nH+]c3)nc2)cc1OC ZINC000012520090 570826664 /nfs/dbraw/zinc/82/66/64/570826664.db2.gz ISWZJYLBAPTJGC-UHFFFAOYSA-N 1 2 381.436 2.326 50 0 GEAALO CCc1[nH+]c2ccccc2n1CC(=O)O[C@@H](C)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000012541217 570841128 /nfs/dbraw/zinc/84/11/28/570841128.db2.gz IMVMLWYSXWPZNS-ZDUSSCGKSA-N 1 2 394.431 2.268 50 0 GEAALO COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)Cn1cc[nH+]c1 ZINC000012604226 570887737 /nfs/dbraw/zinc/88/77/37/570887737.db2.gz GAYODHUPXFGABU-UHFFFAOYSA-N 1 2 392.481 2.095 50 0 GEAALO COc1ccc2oc(CNC(=O)N3CC[NH+](Cc4cccnc4)CC3)nc2c1 ZINC000534580431 570902542 /nfs/dbraw/zinc/90/25/42/570902542.db2.gz NBOBBPKWMCZYHI-UHFFFAOYSA-N 1 2 381.436 2.259 50 0 GEAALO Cn1cc[nH+]c1CCNC(=O)c1cccc(-c2ccc(N3CCCC3)nn2)c1 ZINC000534654353 570915056 /nfs/dbraw/zinc/91/50/56/570915056.db2.gz HYBMUUNFRFTDGN-UHFFFAOYSA-N 1 2 376.464 2.450 50 0 GEAALO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC(c2nc3ccccc3n2C)CC1 ZINC000534666919 570919365 /nfs/dbraw/zinc/91/93/65/570919365.db2.gz PVGKYGBLMBXSOH-MRXNPFEDSA-N 1 2 385.512 2.183 50 0 GEAALO Cc1c(C(N)=O)sc(NC(=O)C[N@@H+]2CCC[C@H](C)C2)c1C(=O)OC(C)C ZINC000017078001 570939463 /nfs/dbraw/zinc/93/94/63/570939463.db2.gz RDMHPAWJSAVUCM-NSHDSACASA-N 1 2 381.498 2.391 50 0 GEAALO Cc1c(C(N)=O)sc(NC(=O)C[N@H+]2CCC[C@H](C)C2)c1C(=O)OC(C)C ZINC000017078001 570939466 /nfs/dbraw/zinc/93/94/66/570939466.db2.gz RDMHPAWJSAVUCM-NSHDSACASA-N 1 2 381.498 2.391 50 0 GEAALO COc1c2c(cc3c1[C@H](c1nnnn1Cc1ccccc1)[N@H+](C)CC3)OCO2 ZINC000002137753 570962634 /nfs/dbraw/zinc/96/26/34/570962634.db2.gz ZNQWAXLKHQOOCC-QGZVFWFLSA-N 1 2 379.420 2.036 50 0 GEAALO COc1c2c(cc3c1[C@H](c1nnnn1Cc1ccccc1)[N@@H+](C)CC3)OCO2 ZINC000002137753 570962639 /nfs/dbraw/zinc/96/26/39/570962639.db2.gz ZNQWAXLKHQOOCC-QGZVFWFLSA-N 1 2 379.420 2.036 50 0 GEAALO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1CC(=O)NCc1ccc(OC)c(OC)c1 ZINC000109043301 570995772 /nfs/dbraw/zinc/99/57/72/570995772.db2.gz MFVWQNXXWFAAPI-IKGGRYGDSA-N 1 2 390.480 2.126 50 0 GEAALO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1CC(=O)NCc1ccc(OC)c(OC)c1 ZINC000109043301 570995774 /nfs/dbraw/zinc/99/57/74/570995774.db2.gz MFVWQNXXWFAAPI-IKGGRYGDSA-N 1 2 390.480 2.126 50 0 GEAALO CCc1cc(C(=O)N2CCC3(CCC(=O)N(CCCn4cc[nH+]c4)C3)CC2)[nH]n1 ZINC000091547523 571013764 /nfs/dbraw/zinc/01/37/64/571013764.db2.gz FACHUNGSIDXEKP-UHFFFAOYSA-N 1 2 398.511 2.104 50 0 GEAALO CCc1cc(C(=O)N2CCC3(CCC(=O)N(CCCn4cc[nH+]c4)C3)CC2)n[nH]1 ZINC000091547523 571013768 /nfs/dbraw/zinc/01/37/68/571013768.db2.gz FACHUNGSIDXEKP-UHFFFAOYSA-N 1 2 398.511 2.104 50 0 GEAALO CCc1nnc(C[N@@H+]2CCC[C@]3(CCC(=O)N(Cc4cnc(C)cn4)C3)C2)o1 ZINC000091664957 571024748 /nfs/dbraw/zinc/02/47/48/571024748.db2.gz KOCNAWMYNMUNRB-FQEVSTJZSA-N 1 2 384.484 2.135 50 0 GEAALO CCc1nnc(C[N@H+]2CCC[C@]3(CCC(=O)N(Cc4cnc(C)cn4)C3)C2)o1 ZINC000091664957 571024750 /nfs/dbraw/zinc/02/47/50/571024750.db2.gz KOCNAWMYNMUNRB-FQEVSTJZSA-N 1 2 384.484 2.135 50 0 GEAALO O=C(c1cccc(O)c1)N1CCC2(CC1)c1[nH+]c[nH]c1CCN2C(=O)C1CCC1 ZINC000091707291 571026813 /nfs/dbraw/zinc/02/68/13/571026813.db2.gz OLLIRXIBEDFTMC-UHFFFAOYSA-N 1 2 394.475 2.432 50 0 GEAALO Cc1c(C(=O)N2CCC3(CCC(=O)N(CCCn4cc[nH+]c4)C3)CC2)ccn1C ZINC000091745475 571028457 /nfs/dbraw/zinc/02/84/57/571028457.db2.gz JSJDRSNNYIBVLI-UHFFFAOYSA-N 1 2 397.523 2.465 50 0 GEAALO CCn1nccc1C(=O)N1CCC2(CCC(=O)N(CCCn3cc[nH+]c3)C2)CC1 ZINC000091769458 571029870 /nfs/dbraw/zinc/02/98/70/571029870.db2.gz RYXLUMSXRDHALL-UHFFFAOYSA-N 1 2 398.511 2.035 50 0 GEAALO CC[C@H](Cn1cc[nH+]c1)NC(=O)c1coc(COc2ccc3c(c2)OCO3)n1 ZINC000091770432 571030230 /nfs/dbraw/zinc/03/02/30/571030230.db2.gz XDPLZQIVOAZVPA-CYBMUJFWSA-N 1 2 384.392 2.387 50 0 GEAALO CCCO[C@@H](C)C(=O)N1CCC2(CCC(=O)N(CCCn3cc[nH+]c3)C2)CC1 ZINC000091943708 571037152 /nfs/dbraw/zinc/03/71/52/571037152.db2.gz GZQSHCZSSCVTGZ-SFHVURJKSA-N 1 2 390.528 2.320 50 0 GEAALO O=C(NCc1cc2n(n1)CCC[N@H+](Cc1ccc3c(c1)OCO3)C2)C1CCC1 ZINC000091951889 571037410 /nfs/dbraw/zinc/03/74/10/571037410.db2.gz GSEWOTPDOHQPBF-UHFFFAOYSA-N 1 2 382.464 2.434 50 0 GEAALO O=C(NCc1cc2n(n1)CCC[N@@H+](Cc1ccc3c(c1)OCO3)C2)C1CCC1 ZINC000091951889 571037415 /nfs/dbraw/zinc/03/74/15/571037415.db2.gz GSEWOTPDOHQPBF-UHFFFAOYSA-N 1 2 382.464 2.434 50 0 GEAALO CC(=O)N1CCc2[nH]c[nH+]c2C12CCN(C(=O)c1cc3ccccc3[nH]1)CC2 ZINC000091988371 571038865 /nfs/dbraw/zinc/03/88/65/571038865.db2.gz UUXVUKYNELDVQD-UHFFFAOYSA-N 1 2 377.448 2.427 50 0 GEAALO Cc1noc(C)c1C(=O)N1CCC2(CCC(=O)N(CCCn3cc[nH+]c3)C2)CC1 ZINC000091997906 571039760 /nfs/dbraw/zinc/03/97/60/571039760.db2.gz WZEJIZGIQISWNE-UHFFFAOYSA-N 1 2 399.495 2.423 50 0 GEAALO Cn1cc[nH+]c1C1CCN(C(=O)CCCn2cnc3ccccc3c2=O)CC1 ZINC000092078634 571044312 /nfs/dbraw/zinc/04/43/12/571044312.db2.gz VWITVBOGSLRVDG-UHFFFAOYSA-N 1 2 379.464 2.316 50 0 GEAALO O=C(NCCCn1cc[nH+]c1)C1CCC(Cn2nnc3ccccc3c2=O)CC1 ZINC000009421467 571045421 /nfs/dbraw/zinc/04/54/21/571045421.db2.gz ZHNGMWVHPAEEKR-UHFFFAOYSA-N 1 2 394.479 2.001 50 0 GEAALO O=C(c1ccccc1-c1nn[nH]n1)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1cscn1)C2 ZINC000095358110 571053247 /nfs/dbraw/zinc/05/32/47/571053247.db2.gz UIYGOZWMYFFRIG-DZGCQCFKSA-N 1 2 395.492 2.060 50 0 GEAALO O=C(c1ccccc1-c1nn[nH]n1)N1C[C@H]2CC[C@@H]1C[N@@H+](Cc1cscn1)C2 ZINC000095358110 571053251 /nfs/dbraw/zinc/05/32/51/571053251.db2.gz UIYGOZWMYFFRIG-DZGCQCFKSA-N 1 2 395.492 2.060 50 0 GEAALO COc1ccc(C(=O)N2CCC[C@@H](c3nnc(Cn4cc[nH+]c4)n3C)C2)cc1 ZINC000095359126 571054188 /nfs/dbraw/zinc/05/41/88/571054188.db2.gz NGXMPIPCYCVMJM-MRXNPFEDSA-N 1 2 380.452 2.088 50 0 GEAALO CCCc1cc(C(=O)N2CCC[C@H](c3nnc(Cn4cc[nH+]c4)n3C)C2)no1 ZINC000095369911 571060374 /nfs/dbraw/zinc/06/03/74/571060374.db2.gz LYSFRIOANCIIJR-AWEZNQCLSA-N 1 2 383.456 2.020 50 0 GEAALO Cc1ccc(F)cc1[C@H](C(=O)[O-])[NH+]1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000095372726 571062294 /nfs/dbraw/zinc/06/22/94/571062294.db2.gz RXMXKNAYBPCIPC-QGZVFWFLSA-N 1 2 377.460 2.066 50 0 GEAALO COCc1noc(C[NH+]2CCC3(CCC(=O)N(CCc4ccccn4)C3)CC2)n1 ZINC000095384999 571070038 /nfs/dbraw/zinc/07/00/38/571070038.db2.gz YNNGGTCXDFWRJO-UHFFFAOYSA-N 1 2 399.495 2.058 50 0 GEAALO CCCc1cc(C(=O)N2CCC3(CC2)c2[nH+]c[nH]c2CCN3C(=O)C2CC2)no1 ZINC000095498650 571074971 /nfs/dbraw/zinc/07/49/71/571074971.db2.gz SSADGVOKZGHNOC-UHFFFAOYSA-N 1 2 397.479 2.276 50 0 GEAALO Cc1cc(C(=O)N2CCC[C@@H](c3[nH+]ccn3CC(N)=O)C2)c2ccccc2n1 ZINC000095499420 571075361 /nfs/dbraw/zinc/07/53/61/571075361.db2.gz BYEZWFQLNKLNLO-OAHLLOKOSA-N 1 2 377.448 2.245 50 0 GEAALO O=C(Cn1cc[nH+]c1)N1CCC[C@H](C(=O)Nc2ccc(-c3cc[nH]n3)cc2)C1 ZINC000095499813 571076001 /nfs/dbraw/zinc/07/60/01/571076001.db2.gz HNWHOCFDWSHNFM-INIZCTEOSA-N 1 2 378.436 2.151 50 0 GEAALO O=C(CCN1CCCC1=O)N1CCC[C@H](c2[nH+]ccn2Cc2cscn2)C1 ZINC000095508418 571079797 /nfs/dbraw/zinc/07/97/97/571079797.db2.gz RFLPDFLUEDINJV-HNNXBMFYSA-N 1 2 387.509 2.106 50 0 GEAALO O=C(CCN1CCCC1=O)N1CCC[C@@H](c2[nH+]ccn2Cc2cscn2)C1 ZINC000095508417 571079826 /nfs/dbraw/zinc/07/98/26/571079826.db2.gz RFLPDFLUEDINJV-OAHLLOKOSA-N 1 2 387.509 2.106 50 0 GEAALO Cn1ccnc1C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2cccc3cccnc32)C1 ZINC000095515143 571083415 /nfs/dbraw/zinc/08/34/15/571083415.db2.gz SZCYPJPCYDBFJH-INIZCTEOSA-N 1 2 399.520 2.159 50 0 GEAALO Cn1ccnc1C[N@H+]1CCC[C@@H](CNS(=O)(=O)c2cccc3cccnc32)C1 ZINC000095515143 571083416 /nfs/dbraw/zinc/08/34/16/571083416.db2.gz SZCYPJPCYDBFJH-INIZCTEOSA-N 1 2 399.520 2.159 50 0 GEAALO Cn1cc[nH+]c1CN1CCC[C@@H](CNS(=O)(=O)c2cccc3cccnc32)C1 ZINC000095515143 571083418 /nfs/dbraw/zinc/08/34/18/571083418.db2.gz SZCYPJPCYDBFJH-INIZCTEOSA-N 1 2 399.520 2.159 50 0 GEAALO O=C(CCN1CCCC1=O)N1CCC[C@H](c2[nH+]ccn2Cc2ccncc2)C1 ZINC000095516891 571084423 /nfs/dbraw/zinc/08/44/23/571084423.db2.gz VFWPKFQOUSYIEN-SFHVURJKSA-N 1 2 381.480 2.045 50 0 GEAALO CC(=O)N[C@@H]1CN(C(=O)Cc2c[nH+]c3c(C)cccn23)C[C@H]1c1ccc(C)o1 ZINC000095521101 571087174 /nfs/dbraw/zinc/08/71/74/571087174.db2.gz VUPBQEYXOIJMPL-QZTJIDSGSA-N 1 2 380.448 2.217 50 0 GEAALO Cn1cc(C(=O)N2CCC[C@H](c3[nH+]ccn3Cc3ccccn3)C2)ccc1=O ZINC000095525119 571090111 /nfs/dbraw/zinc/09/01/11/571090111.db2.gz CANVYOLUKDRKRX-INIZCTEOSA-N 1 2 377.448 2.045 50 0 GEAALO NC(=O)Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2ccc(C(F)(F)F)cc2)C1 ZINC000095526317 571090642 /nfs/dbraw/zinc/09/06/42/571090642.db2.gz BHJXIASJUQAJIE-ZDUSSCGKSA-N 1 2 380.370 2.407 50 0 GEAALO Cc1c(O)cccc1C(=O)N1CCC2(CC1)c1[nH+]c[nH]c1CCN2C(=O)C1CC1 ZINC000095526578 571090948 /nfs/dbraw/zinc/09/09/48/571090948.db2.gz ZBEDZPZQHPDZRN-UHFFFAOYSA-N 1 2 394.475 2.350 50 0 GEAALO O=C(N[C@@H]1CCCC[C@H]1c1ccccc1)N1CC[NH+](CCn2cncn2)CC1 ZINC000426501936 231229513 /nfs/dbraw/zinc/22/95/13/231229513.db2.gz VJMUCTIOKFDOIT-VQTJNVASSA-N 1 2 382.512 2.332 50 0 GEAALO CC(C)[C@H](CNS(=O)(=O)c1ccccc1Br)[NH+]1CCOCC1 ZINC000012768718 531552047 /nfs/dbraw/zinc/55/20/47/531552047.db2.gz OHMIBQIWNSBYSA-AWEZNQCLSA-N 1 2 391.331 2.084 50 0 GEAALO CN(C)C(=O)[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000012917001 531556265 /nfs/dbraw/zinc/55/62/65/531556265.db2.gz KIZIVWHAAGEDKH-GFCCVEGCSA-N 1 2 375.803 2.433 50 0 GEAALO CN(C)C(=O)[C@H]1CCC[N@H+]1CC(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000012917001 531556273 /nfs/dbraw/zinc/55/62/73/531556273.db2.gz KIZIVWHAAGEDKH-GFCCVEGCSA-N 1 2 375.803 2.433 50 0 GEAALO CC(C)c1ccc(OCC(=O)NCC[NH+]2CCOCC2)c(Br)c1 ZINC000019897185 531580462 /nfs/dbraw/zinc/58/04/62/531580462.db2.gz LCPQZZZBIQMLKA-UHFFFAOYSA-N 1 2 385.302 2.400 50 0 GEAALO CCOC(=O)c1sc2nc(SCC[NH+]3CCOCC3)nc(N)c2c1C ZINC000020591078 531582684 /nfs/dbraw/zinc/58/26/84/531582684.db2.gz TUFGLEBBWIGIQV-UHFFFAOYSA-N 1 2 382.511 2.183 50 0 GEAALO C[NH+]1CCN(C2=NC(=O)/C(=C/c3cc(Br)ccc3O)S2)CC1 ZINC000023115529 531594159 /nfs/dbraw/zinc/59/41/59/531594159.db2.gz MRVHXAKCDVGREZ-LCYFTJDESA-N 1 2 382.283 2.372 50 0 GEAALO Cc1c(C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)sc2ncn(C)c(=O)c12 ZINC000023609055 531598225 /nfs/dbraw/zinc/59/82/25/531598225.db2.gz ARZHWHKJQMOHCR-UHFFFAOYSA-N 1 2 375.479 2.000 50 0 GEAALO Cc1c(C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)sc2ncn(C)c(=O)c12 ZINC000023609055 531598232 /nfs/dbraw/zinc/59/82/32/531598232.db2.gz ARZHWHKJQMOHCR-UHFFFAOYSA-N 1 2 375.479 2.000 50 0 GEAALO O=S(=O)(c1cccc(Cl)c1)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000023466427 531598371 /nfs/dbraw/zinc/59/83/71/531598371.db2.gz QRCREWPWXZUXAR-GOSISDBHSA-N 1 2 380.897 2.380 50 0 GEAALO C[NH+]1CCN(c2nc(O)c(CC(=O)Nc3ccc(F)c(Cl)c3)s2)CC1 ZINC000023994714 531600533 /nfs/dbraw/zinc/60/05/33/531600533.db2.gz BRBRNZROXVWERE-ZDUSSCGKSA-N 1 2 384.864 2.053 50 0 GEAALO NC(=O)CSc1ccccc1C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000024394148 531603412 /nfs/dbraw/zinc/60/34/12/531603412.db2.gz MYNOEVAYRURGBQ-UHFFFAOYSA-N 1 2 375.519 2.284 50 0 GEAALO CS(=O)(=O)NC[C@@H]1CCCC[N@@H+]1Cc1nc(-c2cccc(Cl)c2)no1 ZINC000026173365 531617760 /nfs/dbraw/zinc/61/77/60/531617760.db2.gz DABSJQXYBNHLEG-AWEZNQCLSA-N 1 2 384.889 2.294 50 0 GEAALO CS(=O)(=O)NC[C@@H]1CCCC[N@H+]1Cc1nc(-c2cccc(Cl)c2)no1 ZINC000026173365 531617768 /nfs/dbraw/zinc/61/77/68/531617768.db2.gz DABSJQXYBNHLEG-AWEZNQCLSA-N 1 2 384.889 2.294 50 0 GEAALO Cn1ncc2c1nc(NCCc1c[nH]c3ccccc13)[nH+]c2N1CCOCC1 ZINC000004375084 204041505 /nfs/dbraw/zinc/04/15/05/204041505.db2.gz IQMMQBXFNFNXIC-UHFFFAOYSA-N 1 2 377.452 2.336 50 0 GEAALO CN1C(=O)C(=C2C[C@@H](c3ccccc3)N(c3ccccc3)[NH2+]2)C(=O)N(C)C1=O ZINC000005201022 204117242 /nfs/dbraw/zinc/11/72/42/204117242.db2.gz YHZRGNYFZYCZEE-KRWDZBQOSA-N 1 2 376.416 2.447 50 0 GEAALO Cc1ccc(NC(=O)C[N@@H+]2CCc3ccccc3C2)cc1S(=O)(=O)N(C)C ZINC000005603881 204143368 /nfs/dbraw/zinc/14/33/68/204143368.db2.gz MJXHSOYDCGEGQO-UHFFFAOYSA-N 1 2 387.505 2.242 50 0 GEAALO Cc1ccc(NC(=O)C[N@H+]2CCc3ccccc3C2)cc1S(=O)(=O)N(C)C ZINC000005603881 204143373 /nfs/dbraw/zinc/14/33/73/204143373.db2.gz MJXHSOYDCGEGQO-UHFFFAOYSA-N 1 2 387.505 2.242 50 0 GEAALO Cc1cc(=O)oc2cc(OCC(=O)N3CCN(c4cccc[nH+]4)CC3)ccc12 ZINC000007309056 204239116 /nfs/dbraw/zinc/23/91/16/204239116.db2.gz VAWJFAWBKLIIFS-UHFFFAOYSA-N 1 2 379.416 2.224 50 0 GEAALO Cn1ccnc1C(=O)[C@H]1CCC[N@H+](Cc2nc(-c3ccc4c(c3)OCO4)no2)C1 ZINC000011662914 204349658 /nfs/dbraw/zinc/34/96/58/204349658.db2.gz PSIOPHQNJKZDOF-AWEZNQCLSA-N 1 2 395.419 2.294 50 0 GEAALO Cn1ccnc1C(=O)[C@H]1CCC[N@@H+](Cc2nc(-c3ccc4c(c3)OCO4)no2)C1 ZINC000011662914 204349662 /nfs/dbraw/zinc/34/96/62/204349662.db2.gz PSIOPHQNJKZDOF-AWEZNQCLSA-N 1 2 395.419 2.294 50 0 GEAALO COc1ccc2nc(C(=O)NCc3ccc(N4CCOCC4)[nH+]c3)ccc2c1 ZINC000011153731 204342643 /nfs/dbraw/zinc/34/26/43/204342643.db2.gz SYBZWCKSNGIKPJ-UHFFFAOYSA-N 1 2 378.432 2.405 50 0 GEAALO COc1cccc(CNC(=O)C[C@H]2C(=O)NCC[N@H+]2Cc2ccccc2C)c1 ZINC000012206281 204382778 /nfs/dbraw/zinc/38/27/78/204382778.db2.gz DKBWDCVNKYHISA-FQEVSTJZSA-N 1 2 381.476 2.011 50 0 GEAALO COc1cccc(CNC(=O)C[C@H]2C(=O)NCC[N@@H+]2Cc2ccccc2C)c1 ZINC000012206281 204382783 /nfs/dbraw/zinc/38/27/83/204382783.db2.gz DKBWDCVNKYHISA-FQEVSTJZSA-N 1 2 381.476 2.011 50 0 GEAALO O=C(NCCCn1cc[nH+]c1)[C@@H]1CC(=O)N(CCc2c[nH]c3ccc(F)cc23)C1 ZINC000013944869 204518057 /nfs/dbraw/zinc/51/80/57/204518057.db2.gz IFGGORRXHGJGEZ-MRXNPFEDSA-N 1 2 397.454 2.101 50 0 GEAALO C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[NH+]1CCN(c2ccccc2F)CC1 ZINC000014914976 204546604 /nfs/dbraw/zinc/54/66/04/204546604.db2.gz VBHWPYOLRKBICX-CYBMUJFWSA-N 1 2 383.427 2.145 50 0 GEAALO CC[NH+]1CCN(CC(=O)N2CCC[C@@H](C(=O)c3ccc(SC)cc3)C2)CC1 ZINC000019837176 204688472 /nfs/dbraw/zinc/68/84/72/204688472.db2.gz VGXYIGQXJYNARK-GOSISDBHSA-N 1 2 389.565 2.467 50 0 GEAALO O=C(NCCC[NH+]1CCOCC1)c1nnc(Cc2ccc(Cl)cc2Cl)o1 ZINC000020851823 204740949 /nfs/dbraw/zinc/74/09/49/204740949.db2.gz AMCAOQUPGCHVGC-UHFFFAOYSA-N 1 2 399.278 2.419 50 0 GEAALO C[C@@H](C(=O)NC1CCCCC1)[NH+]1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000022932076 204794398 /nfs/dbraw/zinc/79/43/98/204794398.db2.gz GGFBDTNVBXELAX-INIZCTEOSA-N 1 2 390.503 2.219 50 0 GEAALO CC[C@@H](C)C(=O)N1CC[NH+]([C@H](C(=O)NCc2ccccn2)C2CCCC2)CC1 ZINC000036253547 205009157 /nfs/dbraw/zinc/00/91/57/205009157.db2.gz YYOKXBQMOLPDON-XLIONFOSSA-N 1 2 386.540 2.447 50 0 GEAALO CCn1ccnc1CN1CC[N@H+](Cc2ccc(OC)cc2F)[C@H](CCO)C1 ZINC000039557730 205042320 /nfs/dbraw/zinc/04/23/20/205042320.db2.gz QSAFDORSSFGAAI-QGZVFWFLSA-N 1 2 376.476 2.120 50 0 GEAALO CCn1ccnc1CN1CC[N@@H+](Cc2ccc(OC)cc2F)[C@H](CCO)C1 ZINC000039557730 205042324 /nfs/dbraw/zinc/04/23/24/205042324.db2.gz QSAFDORSSFGAAI-QGZVFWFLSA-N 1 2 376.476 2.120 50 0 GEAALO Nn1c(SCC[NH+]2CCOCC2)nc2scc(-c3cccs3)c2c1=O ZINC000036646112 205020546 /nfs/dbraw/zinc/02/05/46/205020546.db2.gz XWUMYLSRYSODCZ-UHFFFAOYSA-N 1 2 394.547 2.325 50 0 GEAALO O=C(CSc1ccc(-n2cc[nH+]c2)nn1)N1CCN(c2ccccc2)CC1 ZINC000070688587 205024782 /nfs/dbraw/zinc/02/47/82/205024782.db2.gz ZHYNEMJNIYWTJO-UHFFFAOYSA-N 1 2 380.477 2.103 50 0 GEAALO O=C(C[NH+]1CC(c2nc(-c3cccc(Cl)c3)no2)C1)NC[C@H]1CCCO1 ZINC000077190922 205034225 /nfs/dbraw/zinc/03/42/25/205034225.db2.gz KQMJUKVFUUXCFP-OAHLLOKOSA-N 1 2 376.844 2.084 50 0 GEAALO CC(C)(C)NC(=O)C[N@@H+]1CCCN(C(=O)CCCOc2ccccc2)CC1 ZINC000040039587 205047811 /nfs/dbraw/zinc/04/78/11/205047811.db2.gz YKUKGCPBGVINJR-UHFFFAOYSA-N 1 2 375.513 2.295 50 0 GEAALO CC(C)(C)NC(=O)C[N@H+]1CCCN(C(=O)CCCOc2ccccc2)CC1 ZINC000040039587 205047814 /nfs/dbraw/zinc/04/78/14/205047814.db2.gz YKUKGCPBGVINJR-UHFFFAOYSA-N 1 2 375.513 2.295 50 0 GEAALO COCC[NH+]1CCN(C(=O)c2csc(NC(=O)c3ccccc3C)n2)CC1 ZINC000040355416 205062819 /nfs/dbraw/zinc/06/28/19/205062819.db2.gz QYGDBRXYSWZHKU-UHFFFAOYSA-N 1 2 388.493 2.108 50 0 GEAALO CC(C)(C)NC(=O)c1cccc(NC(=O)NCC(C)(C)[NH+]2CCOCC2)c1 ZINC000047586367 205111287 /nfs/dbraw/zinc/11/12/87/205111287.db2.gz CYQOIIDZJYCSTR-UHFFFAOYSA-N 1 2 376.501 2.447 50 0 GEAALO Cc1cc(NC(=O)C[NH+]2CCC(C(=O)NCCc3ccccc3F)CC2)no1 ZINC000047936471 205112585 /nfs/dbraw/zinc/11/25/85/205112585.db2.gz DZONJEHUBYPQHM-UHFFFAOYSA-N 1 2 388.443 2.132 50 0 GEAALO Cc1cc(C(=O)N2CC[NH+](CCCc3nnnn3-c3ccccc3)CC2)c(C)o1 ZINC000048308533 205117680 /nfs/dbraw/zinc/11/76/80/205117680.db2.gz UMOJFNZWJTZLCJ-UHFFFAOYSA-N 1 2 394.479 2.263 50 0 GEAALO O=C(CN1CC[NH+](Cc2ccc(OCc3ccccn3)cc2)CC1)NC1CC1 ZINC000048302856 205117880 /nfs/dbraw/zinc/11/78/80/205117880.db2.gz GYSGSXFTSWERBB-UHFFFAOYSA-N 1 2 380.492 2.057 50 0 GEAALO C[C@@H](C[NH+]1CCOCC1)NC(=O)Cn1c2ccccc2n(C2=CCCCC2)c1=O ZINC000048345062 205119317 /nfs/dbraw/zinc/11/93/17/205119317.db2.gz ARGYOHSEOBZUOV-KRWDZBQOSA-N 1 2 398.507 2.055 50 0 GEAALO COc1cc(OC)c(C2=CC[N@@H+]([C@H](C)C(=O)N3CCOCC3)CC2)c(OC)c1 ZINC000048331516 205120110 /nfs/dbraw/zinc/12/01/10/205120110.db2.gz GFZMYBIRABQSIO-OAHLLOKOSA-N 1 2 390.480 2.049 50 0 GEAALO COc1cc(OC)c(C2=CC[N@H+]([C@H](C)C(=O)N3CCOCC3)CC2)c(OC)c1 ZINC000048331516 205120114 /nfs/dbraw/zinc/12/01/14/205120114.db2.gz GFZMYBIRABQSIO-OAHLLOKOSA-N 1 2 390.480 2.049 50 0 GEAALO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1CC(=O)Nc1ccccc1C(=O)NC1CC1 ZINC000048368417 205122932 /nfs/dbraw/zinc/12/29/32/205122932.db2.gz AYSOVQPLCMHWBC-JVPBZIDWSA-N 1 2 399.491 2.323 50 0 GEAALO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CC(=O)Nc1ccccc1C(=O)NC1CC1 ZINC000048368417 205122934 /nfs/dbraw/zinc/12/29/34/205122934.db2.gz AYSOVQPLCMHWBC-JVPBZIDWSA-N 1 2 399.491 2.323 50 0 GEAALO CCN(CC)C(=O)C[NH+]1CCN(C(=O)C2=Cc3cc(Cl)ccc3OC2)CC1 ZINC000053197251 205135255 /nfs/dbraw/zinc/13/52/55/205135255.db2.gz GWNDNYFBALDMOJ-UHFFFAOYSA-N 1 2 391.899 2.128 50 0 GEAALO CC1CCC2(CC1)NC(=O)N(C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1)C2=O ZINC000054548702 205140516 /nfs/dbraw/zinc/14/05/16/205140516.db2.gz UKQAJDSYYGJMKL-UHFFFAOYSA-N 1 2 394.516 2.434 50 0 GEAALO CCOC(=O)C1C(C[NH+]2CCCCC2)=NC(=O)N[C@H]1c1ccc2c(c1)OCO2 ZINC000054979051 205142276 /nfs/dbraw/zinc/14/22/76/205142276.db2.gz JHLUAITXEGGTQT-SFHVURJKSA-N 1 2 387.436 2.072 50 0 GEAALO COC(=O)[C@@H]1C[C@H](C(=O)NCCc2cccc(C)n2)[C@H](c2ccccc2F)[N@@H+]1C ZINC000055224838 205145614 /nfs/dbraw/zinc/14/56/14/205145614.db2.gz KCYMELCTLNCZHU-IHPCNDPISA-N 1 2 399.466 2.422 50 0 GEAALO COC(=O)[C@@H]1C[C@H](C(=O)NCCc2cccc(C)n2)[C@H](c2ccccc2F)[N@H+]1C ZINC000055224838 205145619 /nfs/dbraw/zinc/14/56/19/205145619.db2.gz KCYMELCTLNCZHU-IHPCNDPISA-N 1 2 399.466 2.422 50 0 GEAALO C[C@@H](c1nc(C2CC2)no1)N1CC[NH+](CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000051591322 205132780 /nfs/dbraw/zinc/13/27/80/205132780.db2.gz MZFQBOILEHQWEP-OAGGEKHMSA-N 1 2 375.517 2.130 50 0 GEAALO C[C@H](C(=O)N(C)Cc1cccc(F)c1)[N@@H+]1CCCN(C(=O)c2ccccn2)CC1 ZINC000058065445 205162906 /nfs/dbraw/zinc/16/29/06/205162906.db2.gz KMWAKWKEYIBWGH-QGZVFWFLSA-N 1 2 398.482 2.416 50 0 GEAALO C[C@H](C(=O)N(C)Cc1cccc(F)c1)[N@H+]1CCCN(C(=O)c2ccccn2)CC1 ZINC000058065445 205162907 /nfs/dbraw/zinc/16/29/07/205162907.db2.gz KMWAKWKEYIBWGH-QGZVFWFLSA-N 1 2 398.482 2.416 50 0 GEAALO COc1ccc(-c2cc(C(=O)NCC(C)(C)[NH+]3CCOCC3)no2)c(F)c1 ZINC000058296511 205172025 /nfs/dbraw/zinc/17/20/25/205172025.db2.gz ALJFFQJVTIMIGG-UHFFFAOYSA-N 1 2 377.416 2.330 50 0 GEAALO CCCC[NH+]1CCN(S(=O)(=O)c2cc(-c3nnc(C4CC4)o3)co2)CC1 ZINC000065246643 205222296 /nfs/dbraw/zinc/22/22/96/205222296.db2.gz KEBZUYZECQLNEH-UHFFFAOYSA-N 1 2 380.470 2.313 50 0 GEAALO O=C(CC[NH+]1CCN(c2nnc(C(F)(F)F)s2)CC1)Nc1cccnc1 ZINC000065431850 205234957 /nfs/dbraw/zinc/23/49/57/205234957.db2.gz VLMNBMWCDHEHBI-UHFFFAOYSA-N 1 2 386.403 2.103 50 0 GEAALO CCCOc1cc(=O)c(C(=O)N2CC[NH+](C(C)C)CC2)nn1-c1ccc(C)cc1 ZINC000065198309 205218731 /nfs/dbraw/zinc/21/87/31/205218731.db2.gz CLQRSFDTLSIIRS-UHFFFAOYSA-N 1 2 398.507 2.496 50 0 GEAALO COc1cccc(NC(=O)N2CCN(c3cc(-n4cc[nH+]c4)ncn3)CC2)c1 ZINC000067601905 205249896 /nfs/dbraw/zinc/24/98/96/205249896.db2.gz ZJHVVXPZOJSMKT-UHFFFAOYSA-N 1 2 379.424 2.025 50 0 GEAALO CN(c1[nH+]cccc1CNC(=O)c1cnc2c(c1)nnn2C)C1CCCCC1 ZINC000067770587 205258036 /nfs/dbraw/zinc/25/80/36/205258036.db2.gz ILCVDPUKBMBZTC-UHFFFAOYSA-N 1 2 379.468 2.457 50 0 GEAALO Cn1c2ccc(C(=O)Nc3c[nH+]c4n3CCCC4)cc2nc1N1CCOCC1 ZINC000067872522 205267311 /nfs/dbraw/zinc/26/73/11/205267311.db2.gz KVRJURUJDYVELG-UHFFFAOYSA-N 1 2 380.452 2.195 50 0 GEAALO COc1ccccc1N1CCN(c2[nH+]cccc2CNC(=O)[C@@H](O)C(C)C)CC1 ZINC000067967662 205269493 /nfs/dbraw/zinc/26/94/93/205269493.db2.gz ATSIDFBCWOSCQU-FQEVSTJZSA-N 1 2 398.507 2.050 50 0 GEAALO CCC[NH+]1CCN(C(=O)c2nn(-c3ccc(C)cc3)c(OCC)cc2=O)CC1 ZINC000067350171 205246248 /nfs/dbraw/zinc/24/62/48/205246248.db2.gz WPRWDHMPEDSAJG-UHFFFAOYSA-N 1 2 384.480 2.107 50 0 GEAALO CC(C)(C(N)=O)[NH+]1CCN(C(=O)CCCOc2cccc3ccccc32)CC1 ZINC000072311372 205322975 /nfs/dbraw/zinc/32/29/75/205322975.db2.gz YAUJWFVSTXHQQR-UHFFFAOYSA-N 1 2 383.492 2.407 50 0 GEAALO COC(=O)CCn1cc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cn1 ZINC000072121110 205305849 /nfs/dbraw/zinc/30/58/49/205305849.db2.gz XOJWAHATLJXXQQ-UHFFFAOYSA-N 1 2 376.888 2.417 50 0 GEAALO COC(=O)CCn1cc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cn1 ZINC000072121110 205305854 /nfs/dbraw/zinc/30/58/54/205305854.db2.gz XOJWAHATLJXXQQ-UHFFFAOYSA-N 1 2 376.888 2.417 50 0 GEAALO c1ccc2c(c1)ncnc2N1CC[NH+](Cc2cnc(N3CCCC3)nc2)CC1 ZINC000072137180 205308509 /nfs/dbraw/zinc/30/85/09/205308509.db2.gz OMUONGWQMRDCMX-UHFFFAOYSA-N 1 2 375.480 2.342 50 0 GEAALO COc1ccc2[nH]c(CCN(C)C(=O)c3cn(-c4ccccc4)nn3)[nH+]c2c1 ZINC000072174102 205317167 /nfs/dbraw/zinc/31/71/67/205317167.db2.gz BSHARGOGQIJUKS-UHFFFAOYSA-N 1 2 376.420 2.467 50 0 GEAALO COc1ccc(/C=C/CN2CC[N@H+](CC(C)C)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000072438860 205352907 /nfs/dbraw/zinc/35/29/07/205352907.db2.gz OCHUHMWTRKILHJ-IKLBINMZSA-N 1 2 378.538 2.148 50 0 GEAALO COc1ccc(/C=C/CN2CC[N@@H+](CC(C)C)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000072438860 205352910 /nfs/dbraw/zinc/35/29/10/205352910.db2.gz OCHUHMWTRKILHJ-IKLBINMZSA-N 1 2 378.538 2.148 50 0 GEAALO CCCS(=O)(=O)N1CCn2nc(C[N@H+](C)Cc3sccc3C)cc2C1 ZINC000072473664 205353582 /nfs/dbraw/zinc/35/35/82/205353582.db2.gz GGAWFRJXTMVYFT-UHFFFAOYSA-N 1 2 382.555 2.440 50 0 GEAALO CCCS(=O)(=O)N1CCn2nc(C[N@@H+](C)Cc3sccc3C)cc2C1 ZINC000072473664 205353586 /nfs/dbraw/zinc/35/35/86/205353586.db2.gz GGAWFRJXTMVYFT-UHFFFAOYSA-N 1 2 382.555 2.440 50 0 GEAALO CCc1nnc(C[NH+]2CCC3(CN(CCOc4ccccc4)C(=O)O3)CC2)o1 ZINC000077425530 205362190 /nfs/dbraw/zinc/36/21/90/205362190.db2.gz PHEYXMQFKQPDGZ-UHFFFAOYSA-N 1 2 386.452 2.498 50 0 GEAALO C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+](C)Cc1cc(Br)cn1C ZINC000079102658 205381402 /nfs/dbraw/zinc/38/14/02/205381402.db2.gz MIXMRTPZHJCOGI-LLVKDONJSA-N 1 2 393.285 2.346 50 0 GEAALO C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@@H+](C)Cc1cc(Br)cn1C ZINC000079102658 205381407 /nfs/dbraw/zinc/38/14/07/205381407.db2.gz MIXMRTPZHJCOGI-LLVKDONJSA-N 1 2 393.285 2.346 50 0 GEAALO CN(C)C(=O)NCc1cc2n(n1)CC[N@H+](Cc1cnc(-c3ccccc3)nc1)C2 ZINC000082134639 205386957 /nfs/dbraw/zinc/38/69/57/205386957.db2.gz NOFPRWFMTWPIQE-UHFFFAOYSA-N 1 2 391.479 2.127 50 0 GEAALO CN(C)C(=O)NCc1cc2n(n1)CC[N@@H+](Cc1cnc(-c3ccccc3)nc1)C2 ZINC000082134639 205386961 /nfs/dbraw/zinc/38/69/61/205386961.db2.gz NOFPRWFMTWPIQE-UHFFFAOYSA-N 1 2 391.479 2.127 50 0 GEAALO O=c1onc(-c2ccccc2)n1C[C@H](O)C[N@@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000084569313 205395228 /nfs/dbraw/zinc/39/52/28/205395228.db2.gz UHAXHMDIPUCLCE-MOPGFXCFSA-N 1 2 399.422 2.077 50 0 GEAALO O=c1onc(-c2ccccc2)n1C[C@H](O)C[N@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000084569313 205395232 /nfs/dbraw/zinc/39/52/32/205395232.db2.gz UHAXHMDIPUCLCE-MOPGFXCFSA-N 1 2 399.422 2.077 50 0 GEAALO O=C(/C=C/c1ccc2c(c1)OCO2)N1CC[NH+](C[C@H](O)c2cccs2)CC1 ZINC000049031311 205670200 /nfs/dbraw/zinc/67/02/00/205670200.db2.gz AVPZHJGKGRNSEM-NBUZRDOWSA-N 1 2 386.473 2.368 50 0 GEAALO COc1ccc(Br)c(C(=O)N2CC[NH+](CCn3cccn3)CC2)c1 ZINC000062021955 206104833 /nfs/dbraw/zinc/10/48/33/206104833.db2.gz OVOPCYQKFGTYCG-UHFFFAOYSA-N 1 2 393.285 2.112 50 0 GEAALO CCNC(=O)C[N@@H+]1CCCN(C(=O)/C=C/c2ccc(Br)cc2)CC1 ZINC000032818975 206092317 /nfs/dbraw/zinc/09/23/17/206092317.db2.gz XVONNBWKQFKRDO-RMKNXTFCSA-N 1 2 394.313 2.133 50 0 GEAALO CCNC(=O)C[N@H+]1CCCN(C(=O)/C=C/c2ccc(Br)cc2)CC1 ZINC000032818975 206092321 /nfs/dbraw/zinc/09/23/21/206092321.db2.gz XVONNBWKQFKRDO-RMKNXTFCSA-N 1 2 394.313 2.133 50 0 GEAALO CCN(Cc1c[nH+]c2ccccn12)S(=O)(=O)c1ccsc1C(=O)OC ZINC000096025097 206114170 /nfs/dbraw/zinc/11/41/70/206114170.db2.gz WEGHQRFGSKXYEV-UHFFFAOYSA-N 1 2 379.463 2.393 50 0 GEAALO COCc1nc([C@H]2C[C@@H](NC(=O)Cn3c(C)[nH+]c4ccccc43)C2)cc(=O)[nH]1 ZINC000253535211 206149112 /nfs/dbraw/zinc/14/91/12/206149112.db2.gz HJBZDXNPGCRSFY-OKILXGFUSA-N 1 2 381.436 2.049 50 0 GEAALO Cc1c[nH]c(C[N@@H+]2CCc3nc(-c4ccc(C(N)=O)cc4)[nH]c3C2)c(C)c1=O ZINC000253537319 206149752 /nfs/dbraw/zinc/14/97/52/206149752.db2.gz MJQOGDQOANLCGO-UHFFFAOYSA-N 1 2 377.448 2.451 50 0 GEAALO Cc1c[nH]c(C[N@H+]2CCc3nc(-c4ccc(C(N)=O)cc4)[nH]c3C2)c(C)c1=O ZINC000253537319 206149756 /nfs/dbraw/zinc/14/97/56/206149756.db2.gz MJQOGDQOANLCGO-UHFFFAOYSA-N 1 2 377.448 2.451 50 0 GEAALO COC(=O)c1csc(N2[NH2+]C3=C(COc4ccccc43)[C@@]2(O)C(F)(F)F)n1 ZINC000005275039 206216893 /nfs/dbraw/zinc/21/68/93/206216893.db2.gz HCNVRRYNDYLIDJ-RFAUZJTJSA-N 1 2 399.350 2.414 50 0 GEAALO CCOC(=O)[C@@H]1CCCCN1C(=O)C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000039987696 132392379 /nfs/dbraw/zinc/39/23/79/132392379.db2.gz PRVMTMKQPXBFMT-SFHVURJKSA-N 1 2 393.915 2.406 50 0 GEAALO O=C(CCN1C(=O)COc2ccccc21)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000058181345 136154819 /nfs/dbraw/zinc/15/48/19/136154819.db2.gz JSHLIZVJAOPTNC-UHFFFAOYSA-N 1 2 376.416 2.304 50 0 GEAALO COc1cccc(NC(=O)c2cn(-c3cc(N4CCSCC4)[nH+]cn3)cn2)c1 ZINC000065239978 136161051 /nfs/dbraw/zinc/16/10/51/136161051.db2.gz VVOZSGRWXYFSTD-UHFFFAOYSA-N 1 2 396.476 2.476 50 0 GEAALO Cc1ccc(NC(=O)c2cn(-c3cc(N4CCOCC4)[nH+]cn3)cn2)cc1F ZINC000065239950 136161121 /nfs/dbraw/zinc/16/11/21/136161121.db2.gz LGDGYZVWVZHPRB-UHFFFAOYSA-N 1 2 382.399 2.199 50 0 GEAALO O=C(COc1ccc(Cl)cc1)N1CCN(c2cc(-n3cc[nH+]c3)ncn2)CC1 ZINC000072437476 136170523 /nfs/dbraw/zinc/17/05/23/136170523.db2.gz HDAIRLLZTUZZPR-UHFFFAOYSA-N 1 2 398.854 2.043 50 0 GEAALO O=C(NCC[NH+]1CCN(c2ccccc2F)CC1)c1cc(-c2cccnc2)n[nH]1 ZINC000085690406 136175398 /nfs/dbraw/zinc/17/53/98/136175398.db2.gz NWGWLUJWGIHERO-UHFFFAOYSA-N 1 2 394.454 2.163 50 0 GEAALO O=C(C[NH+]1CCN(c2cccc(Cl)c2)CC1)N1CC(=O)Nc2ccccc21 ZINC000089865681 136175826 /nfs/dbraw/zinc/17/58/26/136175826.db2.gz SEAJLDWEJWHFAQ-UHFFFAOYSA-N 1 2 384.867 2.447 50 0 GEAALO COc1ccccc1N1CC[N@H+](CCC(=O)N(C)Cc2ccccc2)CC1=O ZINC000091254916 136176068 /nfs/dbraw/zinc/17/60/68/136176068.db2.gz PRADNHXQBVOFHI-UHFFFAOYSA-N 1 2 381.476 2.393 50 0 GEAALO COc1ccccc1N1CC[N@@H+](CCC(=O)N(C)Cc2ccccc2)CC1=O ZINC000091254916 136176069 /nfs/dbraw/zinc/17/60/69/136176069.db2.gz PRADNHXQBVOFHI-UHFFFAOYSA-N 1 2 381.476 2.393 50 0 GEAALO Cc1noc(C)c1CN1CC2(CC1=O)CCN(c1cc(N(C)C)[nH+]cn1)CC2 ZINC000095352132 136177812 /nfs/dbraw/zinc/17/78/12/136177812.db2.gz IXPVKTOPYPZFDR-UHFFFAOYSA-N 1 2 384.484 2.167 50 0 GEAALO Cc1noc(C)c1CN1CC2(CC1=O)CCN(c1cc(N(C)C)nc[nH+]1)CC2 ZINC000095352132 136177813 /nfs/dbraw/zinc/17/78/13/136177813.db2.gz IXPVKTOPYPZFDR-UHFFFAOYSA-N 1 2 384.484 2.167 50 0 GEAALO Cc1noc2ncnc(N3CC[N@H+](Cc4ccc(F)c(F)c4)[C@@H](CCO)C3)c12 ZINC000106974641 136191624 /nfs/dbraw/zinc/19/16/24/136191624.db2.gz OBROAQDODIUNEL-AWEZNQCLSA-N 1 2 389.406 2.278 50 0 GEAALO Cc1noc2ncnc(N3CC[N@@H+](Cc4ccc(F)c(F)c4)[C@@H](CCO)C3)c12 ZINC000106974641 136191625 /nfs/dbraw/zinc/19/16/25/136191625.db2.gz OBROAQDODIUNEL-AWEZNQCLSA-N 1 2 389.406 2.278 50 0 GEAALO c1ccc(N2CCN(c3nc(N4CCCC4)[nH+]c(N4CCCC4)n3)CC2)cc1 ZINC000022976856 136204523 /nfs/dbraw/zinc/20/45/23/136204523.db2.gz DCLDRXAGFGMEKY-UHFFFAOYSA-N 1 2 379.512 2.399 50 0 GEAALO c1ccc(N2CCN(c3nc(N4CCCC4)nc(N4CCCC4)[nH+]3)CC2)cc1 ZINC000022976856 136204524 /nfs/dbraw/zinc/20/45/24/136204524.db2.gz DCLDRXAGFGMEKY-UHFFFAOYSA-N 1 2 379.512 2.399 50 0 GEAALO CC(=O)N1CCc2[nH]c[nH+]c2C12CCN(c1nccc(C(F)(F)F)n1)CC2 ZINC000091657157 534817008 /nfs/dbraw/zinc/81/70/08/534817008.db2.gz VFSVMRBXNYPOJG-UHFFFAOYSA-N 1 2 380.374 2.119 50 0 GEAALO CCCc1cc(N2CCC[C@@H](c3nnc(Cn4ccnc4)n3C)C2)nc(C)[nH+]1 ZINC000095364512 535397658 /nfs/dbraw/zinc/39/76/58/535397658.db2.gz UJFSSBHBVATLSN-MRXNPFEDSA-N 1 2 380.500 2.495 50 0 GEAALO CCCc1cc(N2CCC[C@H](c3nnc(Cn4ccnc4)n3C)C2)nc(C)[nH+]1 ZINC000095364511 535398347 /nfs/dbraw/zinc/39/83/47/535398347.db2.gz UJFSSBHBVATLSN-INIZCTEOSA-N 1 2 380.500 2.495 50 0 GEAALO CCc1c(C)[nH+]c(C)nc1N1CCC[C@H](c2nnc(Cn3ccnc3)n2C)C1 ZINC000095380546 536070325 /nfs/dbraw/zinc/07/03/25/536070325.db2.gz HSPFZTVBZRSQME-INIZCTEOSA-N 1 2 380.500 2.413 50 0 GEAALO Cc1nnc(C[NH+]2CCC(c3nnc(Cn4cccn4)n3C3CC3)CC2)s1 ZINC000096140533 570213104 /nfs/dbraw/zinc/21/31/04/570213104.db2.gz ZTLQUWDZPRDJLH-UHFFFAOYSA-N 1 2 384.513 2.397 50 0 GEAALO Cn1nc(-c2ccccc2)cc1NC(=O)N1CCC(O)(Cn2cc[nH+]c2)CC1 ZINC000096162164 570216952 /nfs/dbraw/zinc/21/69/52/570216952.db2.gz BDFYGZWYQJLXEX-UHFFFAOYSA-N 1 2 380.452 2.343 50 0 GEAALO CN(C)c1ncc(C[N@@H+]2C[C@H]3C[NH+](C4CCCCC4)C[C@@]3(C(=O)[O-])C2)s1 ZINC000096163732 570217451 /nfs/dbraw/zinc/21/74/51/570217451.db2.gz QBWHFDXRGXBJNB-LIRRHRJNSA-N 1 2 378.542 2.360 50 0 GEAALO CN(C)c1ncc(C[N@H+]2C[C@H]3C[NH+](C4CCCCC4)C[C@@]3(C(=O)[O-])C2)s1 ZINC000096163732 570217452 /nfs/dbraw/zinc/21/74/52/570217452.db2.gz QBWHFDXRGXBJNB-LIRRHRJNSA-N 1 2 378.542 2.360 50 0 GEAALO CN(C)c1ncc(C[NH+]2C[C@H]3C[N@@H+](C4CCCCC4)C[C@@]3(C(=O)[O-])C2)s1 ZINC000096163732 570217453 /nfs/dbraw/zinc/21/74/53/570217453.db2.gz QBWHFDXRGXBJNB-LIRRHRJNSA-N 1 2 378.542 2.360 50 0 GEAALO CN(C)c1ncc(C[NH+]2C[C@H]3C[N@H+](C4CCCCC4)C[C@@]3(C(=O)[O-])C2)s1 ZINC000096163732 570217454 /nfs/dbraw/zinc/21/74/54/570217454.db2.gz QBWHFDXRGXBJNB-LIRRHRJNSA-N 1 2 378.542 2.360 50 0 GEAALO CCn1c2ccccc2n(CC(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2)c1=O ZINC000048253033 570227198 /nfs/dbraw/zinc/22/71/98/570227198.db2.gz SPUDRZXGSXSQSY-HXUWFJFHSA-N 1 2 389.459 2.462 50 0 GEAALO O=C(NCC[NH+]1CCOCC1)c1ccccc1NC(=O)c1cccnc1Cl ZINC000019897323 570228414 /nfs/dbraw/zinc/22/84/14/570228414.db2.gz MYLLHVGAEBFFMR-UHFFFAOYSA-N 1 2 388.855 2.049 50 0 GEAALO C[C@H]1CC(=O)c2cnc(N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)nc2C1 ZINC000019899678 570228847 /nfs/dbraw/zinc/22/88/47/570228847.db2.gz FWRRIXPJVYDZPU-CQSZACIVSA-N 1 2 380.448 2.293 50 0 GEAALO CC(=O)N1c2ccccc2C[C@@H]1C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000015773425 570241197 /nfs/dbraw/zinc/24/11/97/570241197.db2.gz XRLIROACNXYGKC-OAQYLSRUSA-N 1 2 379.460 2.435 50 0 GEAALO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1CC(=O)Nc1ccccc1C(=O)NC1CC1 ZINC000247808055 570249024 /nfs/dbraw/zinc/24/90/24/570249024.db2.gz AYSOVQPLCMHWBC-KYNGSXCRSA-N 1 2 399.491 2.323 50 0 GEAALO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CC(=O)Nc1ccccc1C(=O)NC1CC1 ZINC000247808055 570249027 /nfs/dbraw/zinc/24/90/27/570249027.db2.gz AYSOVQPLCMHWBC-KYNGSXCRSA-N 1 2 399.491 2.323 50 0 GEAALO COC(=O)c1ccc(-c2noc(CN3CC[NH+](Cc4cccnc4)CC3)n2)cc1 ZINC000020451418 570257302 /nfs/dbraw/zinc/25/73/02/570257302.db2.gz QPFPCTHDMGQDSH-UHFFFAOYSA-N 1 2 393.447 2.236 50 0 GEAALO c1cc(-c2ccn(Cc3cscn3)n2)oc1C[NH2+]Cc1nnc2n1CCC2 ZINC000020543420 570267148 /nfs/dbraw/zinc/26/71/48/570267148.db2.gz KRDMRYFLKOKHRT-UHFFFAOYSA-N 1 2 381.465 2.475 50 0 GEAALO C[C@H](NC(=O)C[NH+]1CCN(c2ncccn2)CC1)c1ccc2c(c1)CCCC2 ZINC000012860918 570267964 /nfs/dbraw/zinc/26/79/64/570267964.db2.gz NGHXIFHNOODJSI-KRWDZBQOSA-N 1 2 379.508 2.355 50 0 GEAALO Cc1cccc2c(=O)n(CC(=O)NCc3ccc(N4CCCC4)[nH+]c3)cnc12 ZINC000012948141 570317399 /nfs/dbraw/zinc/31/73/99/570317399.db2.gz OAQRXRMMKKJVIK-UHFFFAOYSA-N 1 2 377.448 2.017 50 0 GEAALO COc1ccc(CC(=O)N2CCc3[nH+]c(N4CCCC4)nc(N(C)C)c3C2)cc1 ZINC000034756285 570332786 /nfs/dbraw/zinc/33/27/86/570332786.db2.gz HFPZSFXJHIIHLP-UHFFFAOYSA-N 1 2 395.507 2.279 50 0 GEAALO C[NH+](C)Cc1cn(C2CCN(C(=O)[C@@H]3Cc4cc(Cl)ccc4N3)CC2)nn1 ZINC000023338991 570355353 /nfs/dbraw/zinc/35/53/53/570355353.db2.gz SWWZSWMPPQYTDO-SFHVURJKSA-N 1 2 388.903 2.193 50 0 GEAALO Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000023641783 570367499 /nfs/dbraw/zinc/36/74/99/570367499.db2.gz NGAINVYVNDBOJD-LJQANCHMSA-N 1 2 389.540 2.367 50 0 GEAALO O=C(CCN1C(=O)COc2ccccc21)N1CC[NH+](Cc2cccs2)CC1 ZINC000023736599 570370890 /nfs/dbraw/zinc/37/08/90/570370890.db2.gz NSOBMIBERDURCW-UHFFFAOYSA-N 1 2 385.489 2.208 50 0 GEAALO CCCc1cc(N2CCCn3nc([C@H](O)c4ccnn4C)cc3C2)nc(C)[nH+]1 ZINC000219926798 570378303 /nfs/dbraw/zinc/37/83/03/570378303.db2.gz HVSAGMIGNNATQJ-FQEVSTJZSA-N 1 2 381.484 2.160 50 0 GEAALO CCS(=O)(=O)Nc1ccc(C(=O)N2CCC[C@H](Cn3cc[nH+]c3)C2)cc1 ZINC000220468749 570386633 /nfs/dbraw/zinc/38/66/33/570386633.db2.gz CMHHTAZQRCDPRH-OAHLLOKOSA-N 1 2 376.482 2.197 50 0 GEAALO CC(C)(CNC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2)[NH+]1CCOCC1 ZINC000024925191 570398379 /nfs/dbraw/zinc/39/83/79/570398379.db2.gz OELUZBQBKXRAAF-UHFFFAOYSA-N 1 2 386.471 2.341 50 0 GEAALO C[C@@H](C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)n1c2ccccc2oc1=O ZINC000012987498 570407543 /nfs/dbraw/zinc/40/75/43/570407543.db2.gz IEHLJVIAMVOWHO-FUHWJXTLSA-N 1 2 395.459 2.173 50 0 GEAALO C[C@@H](C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)n1c2ccccc2oc1=O ZINC000012987498 570407546 /nfs/dbraw/zinc/40/75/46/570407546.db2.gz IEHLJVIAMVOWHO-FUHWJXTLSA-N 1 2 395.459 2.173 50 0 GEAALO O=C(NC1CC[NH+](CN2C(=O)NC3(CCCCC3)C2=O)CC1)c1ccccc1 ZINC000013000084 570413976 /nfs/dbraw/zinc/41/39/76/570413976.db2.gz CVKDVKUPFPSSIP-UHFFFAOYSA-N 1 2 384.480 2.093 50 0 GEAALO O=S(=O)(Cc1ccc(F)cc1)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000026232334 570423772 /nfs/dbraw/zinc/42/37/72/570423772.db2.gz KOUYYQOOSHECSW-LJQANCHMSA-N 1 2 378.469 2.146 50 0 GEAALO O=S(=O)(Cc1ccc(F)cc1)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000026232334 570423775 /nfs/dbraw/zinc/42/37/75/570423775.db2.gz KOUYYQOOSHECSW-LJQANCHMSA-N 1 2 378.469 2.146 50 0 GEAALO CC(C)c1noc([C@@H](C)N2CC[NH+](Cc3cc(=O)n4ccccc4n3)CC2)n1 ZINC000029523390 570475769 /nfs/dbraw/zinc/47/57/69/570475769.db2.gz SRROJAJJUGMOSF-OAHLLOKOSA-N 1 2 382.468 2.080 50 0 GEAALO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)[C@@H]1CCCN(c2cnccn2)C1 ZINC000029764540 570479406 /nfs/dbraw/zinc/47/94/06/570479406.db2.gz DPRLSSQJGIKCFF-LJQANCHMSA-N 1 2 376.464 2.254 50 0 GEAALO COc1ccc(CNC(=O)c2ccc(SCC[NH+]3CCOCC3)nc2)cc1 ZINC000033115233 570520579 /nfs/dbraw/zinc/52/05/79/570520579.db2.gz QASDOFFTYIFXEQ-UHFFFAOYSA-N 1 2 387.505 2.445 50 0 GEAALO Cc1[nH]c2ccc(NC(=O)CC[C@H]3NC(=O)c4ccccc4NC3=O)cc2[nH+]1 ZINC000206229712 570535153 /nfs/dbraw/zinc/53/51/53/570535153.db2.gz XSVCBQCMVGTCBL-MRXNPFEDSA-N 1 2 377.404 2.341 50 0 GEAALO C[NH+]1CCN(S(=O)(=O)c2cc(Br)ccc2Br)CC1 ZINC000035392030 570552024 /nfs/dbraw/zinc/55/20/24/570552024.db2.gz PSZRCUGNKXNXEF-UHFFFAOYSA-N 1 2 398.120 2.148 50 0 GEAALO Cc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000035360224 570552208 /nfs/dbraw/zinc/55/22/08/570552208.db2.gz UCHIRUBFOVVTBL-UHFFFAOYSA-N 1 2 387.505 2.492 50 0 GEAALO CCc1nc2n(n1)C(=O)C([C@H](c1ccccc1)[NH+]1CCC(C(N)=O)CC1)S2 ZINC000022853704 570556839 /nfs/dbraw/zinc/55/68/39/570556839.db2.gz YEBGOUMFTSLURE-HNNXBMFYSA-N 1 2 385.493 2.346 50 0 GEAALO CCc1nc2n(n1)C(=O)C([C@@H](c1ccccc1)[NH+]1CCC(C(N)=O)CC1)S2 ZINC000022853708 570556922 /nfs/dbraw/zinc/55/69/22/570556922.db2.gz YEBGOUMFTSLURE-OAHLLOKOSA-N 1 2 385.493 2.346 50 0 GEAALO COC(=O)COc1ccc(C(=O)Cn2c3ccccc3[nH+]c2NCCCO)cc1 ZINC000005386619 570571718 /nfs/dbraw/zinc/57/17/18/570571718.db2.gz HUXFERPJNNZRHK-UHFFFAOYSA-N 1 2 397.431 2.265 50 0 GEAALO O=C1C(=O)N(c2ccc(F)cc2)C[C@@H]1N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000210972604 570723845 /nfs/dbraw/zinc/72/38/45/570723845.db2.gz UNPHQJDSFXXXTP-PAKAJVGYSA-N 1 2 393.462 2.441 50 0 GEAALO Cc1ccc(NC(=O)CN2CC[NH+]([C@H](C)C(=O)NC3CCCCC3)CC2)cc1 ZINC000022932331 570732296 /nfs/dbraw/zinc/73/22/96/570732296.db2.gz OWZYQOKQUWVWMQ-GOSISDBHSA-N 1 2 386.540 2.389 50 0 GEAALO NC(=O)c1ccsc1NC(=O)C[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000012989420 570738038 /nfs/dbraw/zinc/73/80/38/570738038.db2.gz BMFZYGZNTWWUQX-CYBMUJFWSA-N 1 2 386.477 2.136 50 0 GEAALO NC(=O)c1ccsc1NC(=O)C[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000012989420 570738039 /nfs/dbraw/zinc/73/80/39/570738039.db2.gz BMFZYGZNTWWUQX-CYBMUJFWSA-N 1 2 386.477 2.136 50 0 GEAALO NC(=O)c1ccsc1NC(=O)C[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000012989424 570738124 /nfs/dbraw/zinc/73/81/24/570738124.db2.gz BMFZYGZNTWWUQX-ZDUSSCGKSA-N 1 2 386.477 2.136 50 0 GEAALO NC(=O)c1ccsc1NC(=O)C[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000012989424 570738129 /nfs/dbraw/zinc/73/81/29/570738129.db2.gz BMFZYGZNTWWUQX-ZDUSSCGKSA-N 1 2 386.477 2.136 50 0 GEAALO NS(=O)(=O)c1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2)cc1 ZINC000025442972 570752062 /nfs/dbraw/zinc/75/20/62/570752062.db2.gz PGFPJMYBRWKZPS-QGZVFWFLSA-N 1 2 377.441 2.249 50 0 GEAALO NS(=O)(=O)c1ccc(NC(=O)C[N@H+]2CCC[C@@H]2c2ccc(F)cc2)cc1 ZINC000025442972 570752064 /nfs/dbraw/zinc/75/20/64/570752064.db2.gz PGFPJMYBRWKZPS-QGZVFWFLSA-N 1 2 377.441 2.249 50 0 GEAALO COc1ccc(C(=O)N2CCC[N@@H+]([C@@H]3CCN(CC4CC4)C3=O)CC2)c(C)c1 ZINC000097945176 570756160 /nfs/dbraw/zinc/75/61/60/570756160.db2.gz ZHRSVFPMWRRWOV-HXUWFJFHSA-N 1 2 385.508 2.162 50 0 GEAALO COc1ccc(C(=O)N2CCC[N@H+]([C@@H]3CCN(CC4CC4)C3=O)CC2)c(C)c1 ZINC000097945176 570756162 /nfs/dbraw/zinc/75/61/62/570756162.db2.gz ZHRSVFPMWRRWOV-HXUWFJFHSA-N 1 2 385.508 2.162 50 0 GEAALO COCCCN1C[NH+]=C2N[C@H](c3ccccn3)n3c4ccccc4nc3N2C1 ZINC000013549745 570757499 /nfs/dbraw/zinc/75/74/99/570757499.db2.gz ODWVRGVCWSGMNO-SFHVURJKSA-N 1 2 377.452 2.011 50 0 GEAALO C[C@H](NC(=O)Nc1ccccc1)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000024379322 570792374 /nfs/dbraw/zinc/79/23/74/570792374.db2.gz HIOUNXSVBRKGHS-KRWDZBQOSA-N 1 2 396.491 2.345 50 0 GEAALO CNC(=O)c1ccc(S(=O)(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000012535098 570835352 /nfs/dbraw/zinc/83/53/52/570835352.db2.gz VFZQPALHBDORPL-AWEZNQCLSA-N 1 2 384.461 2.271 50 0 GEAALO O=C(C[NH+]1CCN(c2ccccc2)CC1)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000051129396 570837491 /nfs/dbraw/zinc/83/74/91/570837491.db2.gz YFZKFYBWMHCSPI-FQEVSTJZSA-N 1 2 378.520 2.451 50 0 GEAALO Cc1ccc(NC(=O)CN2CC[NH+]([C@@H](C)C(=O)N3CCCCCC3)CC2)cc1 ZINC000022934431 570843090 /nfs/dbraw/zinc/84/30/90/570843090.db2.gz BEIONDZPDBDERH-IBGZPJMESA-N 1 2 386.540 2.342 50 0 GEAALO Cc1ccc(NC(=O)CN2CC[NH+]([C@H](C)C(=O)N3CCCCCC3)CC2)cc1 ZINC000022934426 570843095 /nfs/dbraw/zinc/84/30/95/570843095.db2.gz BEIONDZPDBDERH-LJQANCHMSA-N 1 2 386.540 2.342 50 0 GEAALO COc1cccc(C[N@@H+]2CCN3C(=O)[C@H](CC4CCCCC4)NC(=O)[C@H]3C2)c1 ZINC000014532980 570847773 /nfs/dbraw/zinc/84/77/73/570847773.db2.gz QUDYNNXJAYPWKP-VQTJNVASSA-N 1 2 385.508 2.177 50 0 GEAALO COc1cccc(C[N@H+]2CCN3C(=O)[C@H](CC4CCCCC4)NC(=O)[C@H]3C2)c1 ZINC000014532980 570847774 /nfs/dbraw/zinc/84/77/74/570847774.db2.gz QUDYNNXJAYPWKP-VQTJNVASSA-N 1 2 385.508 2.177 50 0 GEAALO O=C(c1nn(Cc2ccccc2)c2c1CN(Cc1[nH]cc[nH+]1)CC2)N1CCCC1 ZINC000014535586 570848215 /nfs/dbraw/zinc/84/82/15/570848215.db2.gz OQCVFLPSVOJKTF-UHFFFAOYSA-N 1 2 390.491 2.449 50 0 GEAALO Cn1cc(C[N@H+]2CC(=O)N(C3CCCCC3)C[C@H](OCc3cccnc3)C2)cn1 ZINC000014543550 570849681 /nfs/dbraw/zinc/84/96/81/570849681.db2.gz IYHKIXRCJWOGNL-OAQYLSRUSA-N 1 2 397.523 2.377 50 0 GEAALO Cn1cc(C[N@@H+]2CC(=O)N(C3CCCCC3)C[C@H](OCc3cccnc3)C2)cn1 ZINC000014543550 570849684 /nfs/dbraw/zinc/84/96/84/570849684.db2.gz IYHKIXRCJWOGNL-OAQYLSRUSA-N 1 2 397.523 2.377 50 0 GEAALO CSc1cccc(C[N@@H+]2CCN3C(=O)[C@H](Cc4ccccc4)NC(=O)[C@H]3C2)c1 ZINC000014743313 570858453 /nfs/dbraw/zinc/85/84/53/570858453.db2.gz QCSMFKAGGSDDIZ-VQTJNVASSA-N 1 2 395.528 2.162 50 0 GEAALO CSc1cccc(C[N@H+]2CCN3C(=O)[C@H](Cc4ccccc4)NC(=O)[C@H]3C2)c1 ZINC000014743313 570858455 /nfs/dbraw/zinc/85/84/55/570858455.db2.gz QCSMFKAGGSDDIZ-VQTJNVASSA-N 1 2 395.528 2.162 50 0 GEAALO CCN(C(=O)C[NH+]1CCC(NS(C)(=O)=O)CC1)c1cccc2ccccc21 ZINC000032865298 570862737 /nfs/dbraw/zinc/86/27/37/570862737.db2.gz IYFHVDAKWPPOBZ-UHFFFAOYSA-N 1 2 389.521 2.206 50 0 GEAALO C[C@H](NC(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000102835348 570866721 /nfs/dbraw/zinc/86/67/21/570866721.db2.gz POHJUTVUVRZQLJ-JCGIZDLHSA-N 1 2 380.448 2.225 50 0 GEAALO CCOc1ccccc1C[N@@H+]1CCNC(=O)[C@@H]1CC(=O)N(C)Cc1ccc(C)o1 ZINC000014975623 570868490 /nfs/dbraw/zinc/86/84/90/570868490.db2.gz JXMLKMIDVSNYRX-IBGZPJMESA-N 1 2 399.491 2.336 50 0 GEAALO CCOc1ccccc1C[N@H+]1CCNC(=O)[C@@H]1CC(=O)N(C)Cc1ccc(C)o1 ZINC000014975623 570868493 /nfs/dbraw/zinc/86/84/93/570868493.db2.gz JXMLKMIDVSNYRX-IBGZPJMESA-N 1 2 399.491 2.336 50 0 GEAALO O=C1N(CC2CCCCC2)CCC[C@@]1(O)C[NH2+]Cc1nnc(-c2ccccc2)[nH]1 ZINC000015062074 570874522 /nfs/dbraw/zinc/87/45/22/570874522.db2.gz DHJQNQHLJGPYEG-JOCHJYFZSA-N 1 2 397.523 2.495 50 0 GEAALO O=C1N(CC2CCCCC2)CCC[C@@]1(O)C[NH2+]Cc1nc(-c2ccccc2)n[nH]1 ZINC000015062074 570874524 /nfs/dbraw/zinc/87/45/24/570874524.db2.gz DHJQNQHLJGPYEG-JOCHJYFZSA-N 1 2 397.523 2.495 50 0 GEAALO Cn1c2ccccc2[nH+]c1CCNc1nc2nonc2nc1N1CCSCC1 ZINC000015074910 570878347 /nfs/dbraw/zinc/87/83/47/570878347.db2.gz MMDXTWGBUUGPJP-UHFFFAOYSA-N 1 2 396.480 2.107 50 0 GEAALO COc1ccccc1N1CCN(c2[nH+]cccc2CNC(=O)[C@@H]2CCCO2)CC1 ZINC000015075304 570878484 /nfs/dbraw/zinc/87/84/84/570878484.db2.gz SNCXADXGOIDSHA-FQEVSTJZSA-N 1 2 396.491 2.212 50 0 GEAALO CC(C)[N@H+](C)Cc1nnnn1CC(=O)NCC(c1ccccc1)c1ccccc1 ZINC000015076964 570879054 /nfs/dbraw/zinc/87/90/54/570879054.db2.gz CEMCIALJQVOQLM-UHFFFAOYSA-N 1 2 392.507 2.462 50 0 GEAALO CC(C)[N@@H+](C)Cc1nnnn1CC(=O)NCC(c1ccccc1)c1ccccc1 ZINC000015076964 570879055 /nfs/dbraw/zinc/87/90/55/570879055.db2.gz CEMCIALJQVOQLM-UHFFFAOYSA-N 1 2 392.507 2.462 50 0 GEAALO C[N@H+](Cc1cnn(Cc2ccccc2)c1)[C@H](C(=O)NC(N)=O)c1ccccc1 ZINC000015508965 570895767 /nfs/dbraw/zinc/89/57/67/570895767.db2.gz BQUJZPNLEQVUIF-IBGZPJMESA-N 1 2 377.448 2.299 50 0 GEAALO C[N@@H+](Cc1cnn(Cc2ccccc2)c1)[C@H](C(=O)NC(N)=O)c1ccccc1 ZINC000015508965 570895769 /nfs/dbraw/zinc/89/57/69/570895769.db2.gz BQUJZPNLEQVUIF-IBGZPJMESA-N 1 2 377.448 2.299 50 0 GEAALO CCOC(=O)N1CCN(C(=O)c2cccc(-c3[nH+]cnc4[nH]ccc43)c2)CC1 ZINC000534578884 570902113 /nfs/dbraw/zinc/90/21/13/570902113.db2.gz GCQSRZJDBIDBER-UHFFFAOYSA-N 1 2 379.420 2.491 50 0 GEAALO O=C(NCc1ccc(-n2cc[nH+]c2)nc1)[C@@H]1CCCN1c1ncnc2ccccc21 ZINC000089872920 570917708 /nfs/dbraw/zinc/91/77/08/570917708.db2.gz DWHAZKZSTITAOA-IBGZPJMESA-N 1 2 399.458 2.496 50 0 GEAALO COc1ccc([C@H](NC(=O)c2ccc(S(C)(=O)=O)cc2)c2[nH+]ccn2C)cc1 ZINC000016474466 570925666 /nfs/dbraw/zinc/92/56/66/570925666.db2.gz HVYAVVSKNQRITN-SFHVURJKSA-N 1 2 399.472 2.352 50 0 GEAALO O=C(NCC[NH+]1CCOCC1)C1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000016884656 570934470 /nfs/dbraw/zinc/93/44/70/570934470.db2.gz SLUDGBLEOOAWQW-UHFFFAOYSA-N 1 2 395.503 2.140 50 0 GEAALO Cc1c(C[N@@H+](C)CC(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)cnn1C ZINC000017079534 570940435 /nfs/dbraw/zinc/94/04/35/570940435.db2.gz GNANIPXQWULNMO-NSHDSACASA-N 1 2 389.525 2.084 50 0 GEAALO Cc1c(C[N@H+](C)CC(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)cnn1C ZINC000017079534 570940436 /nfs/dbraw/zinc/94/04/36/570940436.db2.gz GNANIPXQWULNMO-NSHDSACASA-N 1 2 389.525 2.084 50 0 GEAALO Cc1cc(C)c(C)c(S(=O)(=O)NC2CC[NH+](CC(=O)NC(C)C)CC2)c1C ZINC000032934619 570946918 /nfs/dbraw/zinc/94/69/18/570946918.db2.gz JXVFJIILEFSEFZ-UHFFFAOYSA-N 1 2 395.569 2.188 50 0 GEAALO COc1ccccc1N1CC[NH+]([C@H]2CC(=O)N(c3cccc(C)c3)C2=O)CC1 ZINC000018249515 570952195 /nfs/dbraw/zinc/95/21/95/570952195.db2.gz MAUHQJOYYXPURL-IBGZPJMESA-N 1 2 379.460 2.458 50 0 GEAALO O=C1C[C@@H]([NH+]2CCN(c3ccc(F)cc3)CC2)C(=O)N1CCc1ccccc1 ZINC000018276225 570952767 /nfs/dbraw/zinc/95/27/67/570952767.db2.gz BMMYEJAJPZXXPN-HXUWFJFHSA-N 1 2 381.451 2.318 50 0 GEAALO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)Nc1cc(Cl)ccc1F ZINC000047376425 570954365 /nfs/dbraw/zinc/95/43/65/570954365.db2.gz GHQBUBZHMUXWDM-UHFFFAOYSA-N 1 2 378.839 2.213 50 0 GEAALO c1ccc(N2CCN(c3ncncc3-c3nc(-c4cccnc4)no3)CC2)[nH+]c1 ZINC000263616985 570954892 /nfs/dbraw/zinc/95/48/92/570954892.db2.gz LMWXBULLEKGKSC-UHFFFAOYSA-N 1 2 386.419 2.310 50 0 GEAALO O=C(c1cn(CC[NH+]2CCOCC2)nn1)N1CCCC[C@@H]1c1cccc(F)c1 ZINC000019299750 570973469 /nfs/dbraw/zinc/97/34/69/570973469.db2.gz WNNKFBLLFVPWFV-LJQANCHMSA-N 1 2 387.459 2.117 50 0 GEAALO COc1cccc(NC(=O)N2CC[N@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)c1 ZINC000084240596 571010025 /nfs/dbraw/zinc/01/00/25/571010025.db2.gz MRKJBCGHPQWXAU-HNNXBMFYSA-N 1 2 378.473 2.368 50 0 GEAALO COc1cccc(NC(=O)N2CC[N@@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)c1 ZINC000084240596 571010027 /nfs/dbraw/zinc/01/00/27/571010027.db2.gz MRKJBCGHPQWXAU-HNNXBMFYSA-N 1 2 378.473 2.368 50 0 GEAALO O=C(C[N@@H+]1C[C@H]2CC[C@@H]1CN(Cc1ccccn1)C2)NCCc1ccccc1 ZINC000091551884 571014347 /nfs/dbraw/zinc/01/43/47/571014347.db2.gz NNPDGIJHIMBCJK-RBBKRZOGSA-N 1 2 378.520 2.337 50 0 GEAALO O=C(C[N@H+]1C[C@H]2CC[C@@H]1CN(Cc1ccccn1)C2)NCCc1ccccc1 ZINC000091551884 571014348 /nfs/dbraw/zinc/01/43/48/571014348.db2.gz NNPDGIJHIMBCJK-RBBKRZOGSA-N 1 2 378.520 2.337 50 0 GEAALO Cn1cc(CCNc2ccc(C(=O)N3CCC[C@H](Cn4cc[nH+]c4)C3)cn2)cn1 ZINC000019635284 571022310 /nfs/dbraw/zinc/02/23/10/571022310.db2.gz KVJLZRSIYLCMQA-GOSISDBHSA-N 1 2 393.495 2.219 50 0 GEAALO O=C(Cn1cc[nH+]c1-c1ccccc1)NC[C@H](c1ccccn1)N1CCOCC1 ZINC000091755233 571029369 /nfs/dbraw/zinc/02/93/69/571029369.db2.gz BLFIWBYIYFUZJW-HXUWFJFHSA-N 1 2 391.475 2.135 50 0 GEAALO CN(Cc1c[nH+]c2ccccn12)S(=O)(=O)c1ccc(C(=O)NC2CC2)cc1 ZINC000091849136 571033080 /nfs/dbraw/zinc/03/30/80/571033080.db2.gz OUFFIVZHFMXILO-UHFFFAOYSA-N 1 2 384.461 2.047 50 0 GEAALO O=C(c1ccc(O)cc1)N1CCC[C@]2(CCC(=O)N(CCc3c[nH+]c[nH]3)C2)C1 ZINC000092019747 571041097 /nfs/dbraw/zinc/04/10/97/571041097.db2.gz PLGQSYGYWZLQEX-OAQYLSRUSA-N 1 2 382.464 2.203 50 0 GEAALO O=C(c1ccc(O)cc1)N1CCC[C@]2(CCC(=O)N(CCc3c[nH]c[nH+]3)C2)C1 ZINC000092019747 571041099 /nfs/dbraw/zinc/04/10/99/571041099.db2.gz PLGQSYGYWZLQEX-OAQYLSRUSA-N 1 2 382.464 2.203 50 0 GEAALO Cn1c(Cn2cc[nH+]c2)nnc1[C@@H]1CCC[N@H+](Cc2ccccc2C(=O)[O-])C1 ZINC000095376672 571064834 /nfs/dbraw/zinc/06/48/34/571064834.db2.gz MIWCVDGOZZFZOB-MRXNPFEDSA-N 1 2 380.452 2.138 50 0 GEAALO Cn1c(Cn2cc[nH+]c2)nnc1[C@@H]1CCC[N@@H+](Cc2ccccc2C(=O)[O-])C1 ZINC000095376672 571064835 /nfs/dbraw/zinc/06/48/35/571064835.db2.gz MIWCVDGOZZFZOB-MRXNPFEDSA-N 1 2 380.452 2.138 50 0 GEAALO O=C(c1cc2ncccn2n1)N1CCC[C@@H](c2[nH+]ccn2Cc2cccnc2)C1 ZINC000095380906 571067719 /nfs/dbraw/zinc/06/77/19/571067719.db2.gz APJNETPYWDRRLX-QGZVFWFLSA-N 1 2 387.447 2.389 50 0 GEAALO Cc1nc(C(=O)N2CCC[C@@]3(CCC(=O)N(CCc4c[nH+]c[nH]4)C3)C2)cs1 ZINC000095497066 571074374 /nfs/dbraw/zinc/07/43/74/571074374.db2.gz QMPJIVHQNABYEE-IBGZPJMESA-N 1 2 387.509 2.262 50 0 GEAALO Cc1nc(C(=O)N2CCC[C@@]3(CCC(=O)N(CCc4c[nH]c[nH+]4)C3)C2)cs1 ZINC000095497066 571074375 /nfs/dbraw/zinc/07/43/75/571074375.db2.gz QMPJIVHQNABYEE-IBGZPJMESA-N 1 2 387.509 2.262 50 0 GEAALO CCC(=O)N1CCc2[nH]c[nH+]c2C12CCN(C(=O)CCc1ccc(O)cc1)CC2 ZINC000095499299 571075437 /nfs/dbraw/zinc/07/54/37/571075437.db2.gz QJPXWRNMZFQPRZ-UHFFFAOYSA-N 1 2 396.491 2.361 50 0 GEAALO O=C(Nc1cc(F)cc2c1NC(=O)CC2)N1CC[NH+](Cc2ccccn2)CC1 ZINC000095503708 571077497 /nfs/dbraw/zinc/07/74/97/571077497.db2.gz YMKYYQTVHRIEET-UHFFFAOYSA-N 1 2 383.427 2.455 50 0 GEAALO Cn1cc(C(=O)N2CCC[C@@H](c3[nH+]ccn3Cc3ccncc3)C2)ccc1=O ZINC000095506068 571079001 /nfs/dbraw/zinc/07/90/01/571079001.db2.gz ZFGXRGVZYFTGOU-QGZVFWFLSA-N 1 2 377.448 2.045 50 0 GEAALO COCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2cc(-c3ccncc3)n[nH]2)C1 ZINC000095509771 571081175 /nfs/dbraw/zinc/08/11/75/571081175.db2.gz TYSAKQFEVVRFBY-MRXNPFEDSA-N 1 2 380.452 2.334 50 0 GEAALO Cc1nnc(CCC(=O)N2CCC[C@@H](c3[nH+]ccn3Cc3cscn3)C2)[nH]1 ZINC000095509963 571081216 /nfs/dbraw/zinc/08/12/16/571081216.db2.gz GKSZMRGQGBGMSF-CQSZACIVSA-N 1 2 385.497 2.153 50 0 GEAALO O=C(CCC1CCN(C(=O)c2ccc3[nH+]ccn3c2)CC1)NC[C@@H]1CCCO1 ZINC000095512643 571082881 /nfs/dbraw/zinc/08/28/81/571082881.db2.gz TZKAFKCNSVCKRQ-SFHVURJKSA-N 1 2 384.480 2.262 50 0 GEAALO Cn1cc(C(=O)N2CCC[C@H](c3[nH+]ccn3Cc3cscn3)C2)ccc1=O ZINC000095517530 571084773 /nfs/dbraw/zinc/08/47/73/571084773.db2.gz CXSPZPFILZHEPY-AWEZNQCLSA-N 1 2 383.477 2.106 50 0 GEAALO COCC(=O)N1CCc2[nH]c[nH+]c2C12CCN(C(=O)c1c(C)cccc1C)CC2 ZINC000095519206 571085573 /nfs/dbraw/zinc/08/55/73/571085573.db2.gz UURHWEOLOVJEPL-UHFFFAOYSA-N 1 2 396.491 2.189 50 0 GEAALO Cc1ccc(C(=O)N2CCC(c3[nH+]ccn3Cc3cccnc3)CC2)c(=O)[nH]1 ZINC000095519375 571086087 /nfs/dbraw/zinc/08/60/87/571086087.db2.gz RSJWKVXLNZNLIK-UHFFFAOYSA-N 1 2 377.448 2.343 50 0 GEAALO O=C(c1cnc2sccn2c1=O)N1CCC[C@@H](c2[nH+]ccn2CC2CC2)C1 ZINC000095522106 571087692 /nfs/dbraw/zinc/08/76/92/571087692.db2.gz POXLKRUGSXDNOZ-CQSZACIVSA-N 1 2 383.477 2.382 50 0 GEAALO CC(C)n1cc[nH+]c1[C@@H]1CCCN(C(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)C1 ZINC000095524557 571089682 /nfs/dbraw/zinc/08/96/82/571089682.db2.gz YRKLGJQUGZUGEU-CQSZACIVSA-N 1 2 381.436 2.014 50 0 GEAALO O=C(CCCn1cncn1)N1CCC(c2[nH+]ccn2Cc2cscn2)CC1 ZINC000095525206 571090251 /nfs/dbraw/zinc/09/02/51/571090251.db2.gz OPKNJWHDDNCLFV-UHFFFAOYSA-N 1 2 385.497 2.166 50 0 GEAALO COCC(=O)N1CCc2[nH]c[nH+]c2C12CCN(C(=O)c1cc(C)ccc1C)CC2 ZINC000095526180 571090799 /nfs/dbraw/zinc/09/07/99/571090799.db2.gz XOEDARMQSGCRHB-UHFFFAOYSA-N 1 2 396.491 2.189 50 0 GEAALO COc1cccc(-c2cccc(NC(=O)NCCC[N@@H+]3CCNC(=O)C3)c2)c1 ZINC000095530848 571092881 /nfs/dbraw/zinc/09/28/81/571092881.db2.gz MEFGVMYQFVFXMR-UHFFFAOYSA-N 1 2 382.464 2.306 50 0 GEAALO COc1cccc(-c2cccc(NC(=O)NCCC[N@H+]3CCNC(=O)C3)c2)c1 ZINC000095530848 571092882 /nfs/dbraw/zinc/09/28/82/571092882.db2.gz MEFGVMYQFVFXMR-UHFFFAOYSA-N 1 2 382.464 2.306 50 0 GEAALO O=C(NCCCOc1ccccc1)N1CC[NH+](Cc2ccccc2CO)CC1 ZINC000426612653 231246461 /nfs/dbraw/zinc/24/64/61/231246461.db2.gz JNAJMQVOPMXJFE-UHFFFAOYSA-N 1 2 383.492 2.475 50 0 GEAALO CCc1ccc(C[N@@H+]2CCc3c(C(=O)NCc4nc[nH]n4)csc3C2)nc1 ZINC000426643050 529644700 /nfs/dbraw/zinc/64/47/00/529644700.db2.gz URQNFSIDJJCFMD-UHFFFAOYSA-N 1 2 382.493 2.312 50 0 GEAALO CCc1ccc(C[N@H+]2CCc3c(C(=O)NCc4nc[nH]n4)csc3C2)nc1 ZINC000426643050 529644703 /nfs/dbraw/zinc/64/47/03/529644703.db2.gz URQNFSIDJJCFMD-UHFFFAOYSA-N 1 2 382.493 2.312 50 0 GEAALO CNc1ccnc(-c2ccc(C(=O)N3CCC[C@@H](Cn4cc[nH+]c4)C3)cc2)n1 ZINC000426386306 529834712 /nfs/dbraw/zinc/83/47/12/529834712.db2.gz LFTFNZOHGZUWLF-INIZCTEOSA-N 1 2 376.464 2.356 50 0 GEAALO CCN(C(=O)[C@H](C)[N@H+](C)Cc1ccc(SC)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000012795413 531555071 /nfs/dbraw/zinc/55/50/71/531555071.db2.gz HPVMOMKZFOGECM-GOEBONIOSA-N 1 2 384.567 2.264 50 0 GEAALO CCN(C(=O)[C@H](C)[N@@H+](C)Cc1ccc(SC)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000012795413 531555084 /nfs/dbraw/zinc/55/50/84/531555084.db2.gz HPVMOMKZFOGECM-GOEBONIOSA-N 1 2 384.567 2.264 50 0 GEAALO O=S(=O)(NCc1ccc(N2CCOCC2)[nH+]c1)c1ccc(Cl)cc1F ZINC000012935453 531556059 /nfs/dbraw/zinc/55/60/59/531556059.db2.gz DYVCQKYCGBPVRE-UHFFFAOYSA-N 1 2 385.848 2.189 50 0 GEAALO CC[NH+]1CCN([C@@H](C)CS(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000019826892 531581089 /nfs/dbraw/zinc/58/10/89/531581089.db2.gz QXNAALRTYDCOJY-ZDUSSCGKSA-N 1 2 375.332 2.249 50 0 GEAALO CC(C)Nc1nc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)nc(N2CCCC2)[nH+]1 ZINC000004581206 204056246 /nfs/dbraw/zinc/05/62/46/204056246.db2.gz OHEWBSSEJMAYOU-CVEARBPZSA-N 1 2 395.511 2.078 50 0 GEAALO CC(C)Nc1nc(N2CCCC2)nc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)[nH+]1 ZINC000004581206 204056248 /nfs/dbraw/zinc/05/62/48/204056248.db2.gz OHEWBSSEJMAYOU-CVEARBPZSA-N 1 2 395.511 2.078 50 0 GEAALO CCOc1ccc(N2C[C@H](C(=O)N3CCN(c4cccc[nH+]4)CC3)CC2=O)cc1 ZINC000005062522 204109004 /nfs/dbraw/zinc/10/90/04/204109004.db2.gz RQBGSINDPVDKQJ-QGZVFWFLSA-N 1 2 394.475 2.182 50 0 GEAALO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[NH+]1CCC2(CC1)OCCO2 ZINC000006742639 204198235 /nfs/dbraw/zinc/19/82/35/204198235.db2.gz MCIRRHRRKUEDND-UHFFFAOYSA-N 1 2 382.482 2.319 50 0 GEAALO CCOC(=O)C1CC[NH+]([C@@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)CC1 ZINC000007224866 204236862 /nfs/dbraw/zinc/23/68/62/204236862.db2.gz QCSPQHKZFRKNKX-INIZCTEOSA-N 1 2 389.496 2.125 50 0 GEAALO C[C@@H](NC(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000008707922 204284581 /nfs/dbraw/zinc/28/45/81/204284581.db2.gz KTLMLQTZESHIHV-LZQZEXGQSA-N 1 2 392.459 2.391 50 0 GEAALO Cc1[nH+]c2ccccc2n1CCNC(=O)CN1c2ccccc2OCCC1=O ZINC000008135635 204262707 /nfs/dbraw/zinc/26/27/07/204262707.db2.gz BMFMGNNYVKATQU-UHFFFAOYSA-N 1 2 378.432 2.277 50 0 GEAALO COc1ccc([C@@H](NC(=O)[C@@H]2COc3ccccc3O2)c2[nH+]ccn2C)cc1 ZINC000009154354 204301439 /nfs/dbraw/zinc/30/14/39/204301439.db2.gz GLTPHHDYAIAIIZ-RBUKOAKNSA-N 1 2 379.416 2.474 50 0 GEAALO Cn1ccnc1[C@H](O)C1CC[NH+](Cc2nc(-c3ccc4c(c3)OCO4)no2)CC1 ZINC000011819379 204355616 /nfs/dbraw/zinc/35/56/16/204355616.db2.gz PNPWXNBRWMSYJC-GOSISDBHSA-N 1 2 397.435 2.144 50 0 GEAALO CSCC(=O)N1CCC[C@H](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000011874809 204359425 /nfs/dbraw/zinc/35/94/25/204359425.db2.gz BBLVMQKOUNTXOS-QGZVFWFLSA-N 1 2 390.553 2.112 50 0 GEAALO COc1cc(OC)cc([C@@H](NC(=O)c2cc(C(C)=O)c[nH]2)c2[nH+]ccn2C)c1 ZINC000011007591 204341893 /nfs/dbraw/zinc/34/18/93/204341893.db2.gz DOGPNKDEWVKVFH-GOSISDBHSA-N 1 2 382.420 2.487 50 0 GEAALO O=C(CCc1nc(-c2ccsc2)no1)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000012225155 204384889 /nfs/dbraw/zinc/38/48/89/204384889.db2.gz QQNPUUWCQFFIGL-UHFFFAOYSA-N 1 2 399.476 2.279 50 0 GEAALO Cc1[nH+]c2ccccc2n1Cc1cc(C(=O)NCCOc2cccnc2)[nH]n1 ZINC000012302797 204391718 /nfs/dbraw/zinc/39/17/18/204391718.db2.gz TZWXVSGYXRMQMS-UHFFFAOYSA-N 1 2 376.420 2.320 50 0 GEAALO COc1cc(C(C)=O)ccc1OCc1cc(C(=O)N(C)Cc2[nH+]ccn2C)no1 ZINC000012305710 204392475 /nfs/dbraw/zinc/39/24/75/204392475.db2.gz JFYSGALEOGDQKV-UHFFFAOYSA-N 1 2 398.419 2.471 50 0 GEAALO O=C(C[NH+]1CCC(C(=O)N2CCCC2)CC1)Nc1cc2c(cc1Cl)OCO2 ZINC000012870785 204457960 /nfs/dbraw/zinc/45/79/60/204457960.db2.gz QWDPGNZXVRJNMO-UHFFFAOYSA-N 1 2 393.871 2.342 50 0 GEAALO CC[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)[C@H]3CC=CCC3)cc2)CC1 ZINC000013012412 204478372 /nfs/dbraw/zinc/47/83/72/204478372.db2.gz GNSSQJWDVLALLP-INIZCTEOSA-N 1 2 377.510 2.308 50 0 GEAALO COc1ccc(C[NH+]2CCN([C@H](C)C(=O)NCC(F)(F)F)CC2)cc1F ZINC000022781227 204787573 /nfs/dbraw/zinc/78/75/73/204787573.db2.gz OUCODBRGWQWKIZ-GFCCVEGCSA-N 1 2 377.382 2.019 50 0 GEAALO C[C@@H](CNS(=O)(=O)N(C)C1CCCCC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000032440780 204911598 /nfs/dbraw/zinc/91/15/98/204911598.db2.gz FKTDWPGFDJPJNS-SFHVURJKSA-N 1 2 394.585 2.296 50 0 GEAALO CC[C@H](C)[C@H]1[NH2+]C2(CCN(S(=O)(=O)c3ccc(F)cc3)CC2)N(CC)C1=O ZINC000036029113 205002055 /nfs/dbraw/zinc/00/20/55/205002055.db2.gz UCGGZSIHAXXCJC-WMLDXEAASA-N 1 2 397.516 2.173 50 0 GEAALO CC[NH+]1CCN(S(=O)(=O)c2cc(Br)c(C)cc2OC)CC1 ZINC000036051300 205003479 /nfs/dbraw/zinc/00/34/79/205003479.db2.gz QAWCSBGPCQEZNU-UHFFFAOYSA-N 1 2 377.304 2.092 50 0 GEAALO Cc1cc(C)n(-c2cc(N3CCN(C(=O)Cc4ccccc4)CC3)[nH+]c(C)n2)n1 ZINC000035597276 204994513 /nfs/dbraw/zinc/99/45/13/204994513.db2.gz CUSRZURADKUBCP-UHFFFAOYSA-N 1 2 390.491 2.479 50 0 GEAALO C[C@@H](c1nc(C(C)(C)C)no1)N1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000036392066 205016869 /nfs/dbraw/zinc/01/68/69/205016869.db2.gz OJVYNDJWBWGFFZ-HOTGVXAUSA-N 1 2 377.533 2.447 50 0 GEAALO Cc1cccc(O[C@H](C)C(=O)N2CCN(c3ccc(-n4cc[nH+]c4)nn3)CC2)c1 ZINC000070641071 205022786 /nfs/dbraw/zinc/02/27/86/205022786.db2.gz FIKDSGNESGZUPL-QGZVFWFLSA-N 1 2 392.463 2.087 50 0 GEAALO Cc1cccc(NC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)c1C ZINC000038528114 205037934 /nfs/dbraw/zinc/03/79/34/205037934.db2.gz XNGFGKJFJKSDFG-UHFFFAOYSA-N 1 2 396.495 2.284 50 0 GEAALO Cc1cccc(NC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)c1C ZINC000038528114 205037937 /nfs/dbraw/zinc/03/79/37/205037937.db2.gz XNGFGKJFJKSDFG-UHFFFAOYSA-N 1 2 396.495 2.284 50 0 GEAALO Cc1ccc(CCC(=O)N2CC[NH+](CC(=O)N3CCCC3)CC2)cc1Cl ZINC000040018246 205045945 /nfs/dbraw/zinc/04/59/45/205045945.db2.gz BBJFHGFOGOSONZ-UHFFFAOYSA-N 1 2 377.916 2.348 50 0 GEAALO O=C(c1ccc(-n2ccnc2)nc1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000040043293 205046671 /nfs/dbraw/zinc/04/66/71/205046671.db2.gz UCCYOLSQKCPBOB-UHFFFAOYSA-N 1 2 377.448 2.104 50 0 GEAALO COc1cccc(NC(=O)CN2CCN(Cc3cn4ccccc4[nH+]3)CC2)c1 ZINC000040025097 205047370 /nfs/dbraw/zinc/04/73/70/205047370.db2.gz ACJZDTZNJNEFLW-UHFFFAOYSA-N 1 2 379.464 2.099 50 0 GEAALO COC(=O)c1cc(C[N@H+](C)Cc2ccc(S(=O)(=O)N3CCCC3)o2)oc1C ZINC000040119897 205054490 /nfs/dbraw/zinc/05/44/90/205054490.db2.gz WRSWSZBDWVXORH-UHFFFAOYSA-N 1 2 396.465 2.384 50 0 GEAALO COC(=O)c1cc(C[N@@H+](C)Cc2ccc(S(=O)(=O)N3CCCC3)o2)oc1C ZINC000040119897 205054495 /nfs/dbraw/zinc/05/44/95/205054495.db2.gz WRSWSZBDWVXORH-UHFFFAOYSA-N 1 2 396.465 2.384 50 0 GEAALO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(Cc2nc3cc(Cl)ccc3n2C)CC1 ZINC000043272961 205082574 /nfs/dbraw/zinc/08/25/74/205082574.db2.gz OCEQCYQNSSQLLM-ZDUSSCGKSA-N 1 2 375.904 2.011 50 0 GEAALO CN(c1ccc(C(=O)NCc2ccccc2-n2cc[nH+]c2)cc1)S(C)(=O)=O ZINC000044838647 205087149 /nfs/dbraw/zinc/08/71/49/205087149.db2.gz NFFLNXVTGHXZSI-UHFFFAOYSA-N 1 2 384.461 2.198 50 0 GEAALO O=C(COc1coc(C[NH+]2CCSCC2)cc1=O)Nc1c(F)cccc1F ZINC000044904072 205089185 /nfs/dbraw/zinc/08/91/85/205089185.db2.gz CXJILQVDCROKBE-UHFFFAOYSA-N 1 2 396.415 2.484 50 0 GEAALO O=C(COc1coc(C[NH+]2CCSCC2)cc1=O)Nc1ccc(F)cc1 ZINC000044901085 205090083 /nfs/dbraw/zinc/09/00/83/205090083.db2.gz WDVORSXJSXWXQS-UHFFFAOYSA-N 1 2 378.425 2.345 50 0 GEAALO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC000048128751 205113599 /nfs/dbraw/zinc/11/35/99/205113599.db2.gz MNEFEPUBWFISPQ-UKRRQHHQSA-N 1 2 394.397 2.455 50 0 GEAALO O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000048236870 205114669 /nfs/dbraw/zinc/11/46/69/205114669.db2.gz MIWWMWWJMGRLCF-HNNXBMFYSA-N 1 2 398.429 2.489 50 0 GEAALO O=C(Cn1cnc2ccccc2c1=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000048355018 205121768 /nfs/dbraw/zinc/12/17/68/205121768.db2.gz VWRJIFCSUBZQLG-UHFFFAOYSA-N 1 2 391.475 2.488 50 0 GEAALO COc1c(C)c[nH+]c(CN(C)C(=O)CNC(=O)c2cc(F)cc(F)c2)c1C ZINC000057557946 205159505 /nfs/dbraw/zinc/15/95/05/205159505.db2.gz YWORGCDKYFBJGO-UHFFFAOYSA-N 1 2 377.391 2.374 50 0 GEAALO O=C(C[N@@H+]1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)c1ccc2c(c1)OCCCO2 ZINC000085878260 205130351 /nfs/dbraw/zinc/13/03/51/205130351.db2.gz ILXDFGUYCYBLSB-WBVHZDCISA-N 1 2 380.444 2.312 50 0 GEAALO O=C(C[N@H+]1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)c1ccc2c(c1)OCCCO2 ZINC000085878260 205130355 /nfs/dbraw/zinc/13/03/55/205130355.db2.gz ILXDFGUYCYBLSB-WBVHZDCISA-N 1 2 380.444 2.312 50 0 GEAALO Cc1cc2[nH+]cn(C[C@H](O)CN3C(=O)N[C@](C)(c4ccccc4)C3=O)c2cc1C ZINC000051127364 205132554 /nfs/dbraw/zinc/13/25/54/205132554.db2.gz ZCFSHFRHTLRPLK-HTAPYJJXSA-N 1 2 392.459 2.481 50 0 GEAALO O=C(C[C@H]1C(=O)NCC[N@H+]1C/C=C/c1ccccc1)NCCc1cccs1 ZINC000064006628 205188454 /nfs/dbraw/zinc/18/84/54/205188454.db2.gz KMXPFSMSIFHLPF-AMGQUURNSA-N 1 2 383.517 2.311 50 0 GEAALO O=C(C[C@H]1C(=O)NCC[N@@H+]1C/C=C/c1ccccc1)NCCc1cccs1 ZINC000064006628 205188459 /nfs/dbraw/zinc/18/84/59/205188459.db2.gz KMXPFSMSIFHLPF-AMGQUURNSA-N 1 2 383.517 2.311 50 0 GEAALO CC(C)C[NH+]1CCN(S(=O)(=O)c2ccc(-c3nnc(C(C)C)o3)o2)CC1 ZINC000065246319 205222447 /nfs/dbraw/zinc/22/24/47/205222447.db2.gz BCLCWOCRDLWOBT-UHFFFAOYSA-N 1 2 382.486 2.415 50 0 GEAALO CC(C)C[NH+]1CCN(S(=O)(=O)c2ccc(-c3nnc(C4CC4)o3)o2)CC1 ZINC000065246383 205222705 /nfs/dbraw/zinc/22/27/05/205222705.db2.gz RYXURKYGWJVDNN-UHFFFAOYSA-N 1 2 380.470 2.169 50 0 GEAALO CCc1nn(C)c(NC(=O)c2ccc(C[N@@H+]3CCNC(=O)[C@H]3C)cc2)c1CC ZINC000065456695 205234851 /nfs/dbraw/zinc/23/48/51/205234851.db2.gz WNYWXRLSXOWHTK-CQSZACIVSA-N 1 2 383.496 2.118 50 0 GEAALO CCc1nn(C)c(NC(=O)c2ccc(C[N@H+]3CCNC(=O)[C@H]3C)cc2)c1CC ZINC000065456695 205234854 /nfs/dbraw/zinc/23/48/54/205234854.db2.gz WNYWXRLSXOWHTK-CQSZACIVSA-N 1 2 383.496 2.118 50 0 GEAALO CC(C)NC(=O)CSc1nc2c(c(=O)[nH]1)C[N@H+](Cc1ccc(F)cc1)CC2 ZINC000067291575 205243735 /nfs/dbraw/zinc/24/37/35/205243735.db2.gz MQAMGBAMALWOMI-UHFFFAOYSA-N 1 2 390.484 2.496 50 0 GEAALO CC(C)NC(=O)CSc1nc2c(c(=O)[nH]1)C[N@@H+](Cc1ccc(F)cc1)CC2 ZINC000067291575 205243740 /nfs/dbraw/zinc/24/37/40/205243740.db2.gz MQAMGBAMALWOMI-UHFFFAOYSA-N 1 2 390.484 2.496 50 0 GEAALO O=C(C[NH+]1CCC(O)CC1)N1CCC(c2[nH]ncc2-c2cccc(F)c2)CC1 ZINC000067740679 205258854 /nfs/dbraw/zinc/25/88/54/205258854.db2.gz NJCYHKQTSLQEQV-UHFFFAOYSA-N 1 2 386.471 2.379 50 0 GEAALO Cc1c[nH+]c(C)nc1N1CCC([C@]2(Cc3ccccc3)NC(=O)NC2=O)CC1 ZINC000067867449 205264759 /nfs/dbraw/zinc/26/47/59/205264759.db2.gz DFDWDPDRIIVIEB-NRFANRHFSA-N 1 2 379.464 2.131 50 0 GEAALO Cc1c(-c2cn(Cc3c[nH+]cn3C3CC3)nn2)c(=O)n(-c2ccccc2)n1C ZINC000067895194 205266587 /nfs/dbraw/zinc/26/65/87/205266587.db2.gz LJACDFVDXOXUJI-UHFFFAOYSA-N 1 2 375.436 2.323 50 0 GEAALO Cc1noc2nc(C)cc(C(=O)NCc3ccc[nH+]c3N3CCC[C@H](O)C3)c12 ZINC000067954723 205267540 /nfs/dbraw/zinc/26/75/40/205267540.db2.gz FITZYUCQYFUPHW-HNNXBMFYSA-N 1 2 381.436 2.126 50 0 GEAALO Cc1cc(C(=O)N2CCC3(CC2)C(=O)NCC[N@H+]3C)c2ccc(C)c(C)c2n1 ZINC000067967719 205270905 /nfs/dbraw/zinc/27/09/05/205270905.db2.gz OMPYRRQZXNHOTO-UHFFFAOYSA-N 1 2 380.492 2.196 50 0 GEAALO Cc1cc(C(=O)N2CCC3(CC2)C(=O)NCC[N@@H+]3C)c2ccc(C)c(C)c2n1 ZINC000067967719 205270907 /nfs/dbraw/zinc/27/09/07/205270907.db2.gz OMPYRRQZXNHOTO-UHFFFAOYSA-N 1 2 380.492 2.196 50 0 GEAALO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1c(C(=O)N2CCCCCC2)nc2cc(C)ccn21 ZINC000071730643 205287697 /nfs/dbraw/zinc/28/76/97/205287697.db2.gz LSGFSIPDIWRRDC-KRWDZBQOSA-N 1 2 397.523 2.369 50 0 GEAALO CNC(=O)[C@@H]1CCC[N@H+]1Cc1c(C(=O)N2CCCCCC2)nc2cc(C)ccn21 ZINC000071730643 205287702 /nfs/dbraw/zinc/28/77/02/205287702.db2.gz LSGFSIPDIWRRDC-KRWDZBQOSA-N 1 2 397.523 2.369 50 0 GEAALO CC[C@@H](Oc1ccccc1)C(=O)N1CCc2c([nH+]c(N(C)C)nc2N(C)C)C1 ZINC000071757275 205293451 /nfs/dbraw/zinc/29/34/51/205293451.db2.gz MILFKLYJZZBIHG-GOSISDBHSA-N 1 2 383.496 2.351 50 0 GEAALO CC(C)=CC[N@@H+]1CCNC(=O)[C@@H]1CC(=O)N1CCc2c3ccccc3[nH]c2C1 ZINC000072142971 205308692 /nfs/dbraw/zinc/30/86/92/205308692.db2.gz NLIOKFNPFFGFBH-FQEVSTJZSA-N 1 2 380.492 2.209 50 0 GEAALO CC(C)=CC[N@H+]1CCNC(=O)[C@@H]1CC(=O)N1CCc2c3ccccc3[nH]c2C1 ZINC000072142971 205308695 /nfs/dbraw/zinc/30/86/95/205308695.db2.gz NLIOKFNPFFGFBH-FQEVSTJZSA-N 1 2 380.492 2.209 50 0 GEAALO CCC[C@H](C)N1CC2(CCN(C(=O)C(C)(C)[NH+]3CCOCC3)CC2)OC1=O ZINC000077427473 205362150 /nfs/dbraw/zinc/36/21/50/205362150.db2.gz ARSVUHAWZDAHOX-INIZCTEOSA-N 1 2 381.517 2.099 50 0 GEAALO C[C@H](NC(=O)c1cccc2c1CN(CCc1cn(C)c[nH+]1)C2=O)C(F)(F)F ZINC000072418613 205347820 /nfs/dbraw/zinc/34/78/20/205347820.db2.gz WUTRAIZHJKPOJB-NSHDSACASA-N 1 2 380.370 2.299 50 0 GEAALO c1[nH]cc(CCn2nc(-c3ccccc3)nc2[C@@H]2CCCCn3nnnc32)[nH+]1 ZINC000097819615 205597760 /nfs/dbraw/zinc/59/77/60/205597760.db2.gz IBBJTHIFMFLXHU-INIZCTEOSA-N 1 2 375.440 2.213 50 0 GEAALO c1[nH]c(CCn2nc(-c3ccccc3)nc2[C@@H]2CCCCn3nnnc32)c[nH+]1 ZINC000097819615 205597764 /nfs/dbraw/zinc/59/77/64/205597764.db2.gz IBBJTHIFMFLXHU-INIZCTEOSA-N 1 2 375.440 2.213 50 0 GEAALO CCCN1[NH+]=C(C)[C@H](C)n2c3c(nc21)n(C)c(=O)n(Cc1ccccc1F)c3=O ZINC000008706205 205797404 /nfs/dbraw/zinc/79/74/04/205797404.db2.gz IQQRXTMOFZDGNZ-ZDUSSCGKSA-N 1 2 398.442 2.251 50 0 GEAALO O[C@H](COc1ccc(Br)cc1Br)C[NH+]1CCOCC1 ZINC000020818973 205928555 /nfs/dbraw/zinc/92/85/55/205928555.db2.gz MBNICKCRMPSOST-NSHDSACASA-N 1 2 395.091 2.284 50 0 GEAALO CN(C)c1nc(N(C)C)c(NC(=O)c2ccc(Oc3ncccn3)cc2)c[nH+]1 ZINC000096098767 206114137 /nfs/dbraw/zinc/11/41/37/206114137.db2.gz QILLTJXGFRQMHJ-UHFFFAOYSA-N 1 2 379.424 2.443 50 0 GEAALO Cc1ccc(CNC(=O)C2CC[NH+]([C@H](C)C(=O)Nc3nncs3)CC2)cc1 ZINC000244626823 206128454 /nfs/dbraw/zinc/12/84/54/206128454.db2.gz FTJHHIAICYTGLZ-CQSZACIVSA-N 1 2 387.509 2.202 50 0 GEAALO Cc1nc(NCCn2nc(-c3ccccc3)ccc2=O)cc([C@H]2C[C@@H](O)C2)[nH+]1 ZINC000244873430 206131404 /nfs/dbraw/zinc/13/14/04/206131404.db2.gz WQFLTJOONWGEOT-CALCHBBNSA-N 1 2 377.448 2.359 50 0 GEAALO CC[C@H]1C(=O)NCC[N@H+]1Cc1ccc2c(c1)CN(Cc1nccs1)CCO2 ZINC000299769287 206187548 /nfs/dbraw/zinc/18/75/48/206187548.db2.gz LOADRVDFFKSULT-KRWDZBQOSA-N 1 2 386.521 2.248 50 0 GEAALO CC[C@H]1C(=O)NCC[N@@H+]1Cc1ccc2c(c1)CN(Cc1nccs1)CCO2 ZINC000299769287 206187550 /nfs/dbraw/zinc/18/75/50/206187550.db2.gz LOADRVDFFKSULT-KRWDZBQOSA-N 1 2 386.521 2.248 50 0 GEAALO O=C(C[C@@H]1C(=O)NCC[N@H+]1Cc1ccccc1)NCCc1c[nH]c2ccccc12 ZINC000011813095 221126533 /nfs/dbraw/zinc/12/65/33/221126533.db2.gz RDHYTIQHCFSXHD-OAQYLSRUSA-N 1 2 390.487 2.217 50 0 GEAALO O=C(C[C@@H]1C(=O)NCC[N@@H+]1Cc1ccccc1)NCCc1c[nH]c2ccccc12 ZINC000011813095 221126537 /nfs/dbraw/zinc/12/65/37/221126537.db2.gz RDHYTIQHCFSXHD-OAQYLSRUSA-N 1 2 390.487 2.217 50 0 GEAALO Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)c2ccc(NC(N)=O)cc2)cc1 ZINC000012796495 221232244 /nfs/dbraw/zinc/23/22/44/221232244.db2.gz PWDMVROFGFCMPV-LJQANCHMSA-N 1 2 382.464 2.289 50 0 GEAALO COCCNC(=O)C[NH2+][C@H](C(=O)Nc1cc(C)ccc1OC)c1ccccc1 ZINC000014023496 221297154 /nfs/dbraw/zinc/29/71/54/221297154.db2.gz JILGJMPPVRQHJW-FQEVSTJZSA-N 1 2 385.464 2.036 50 0 GEAALO CNc1snc(C)c1C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000058194902 136155002 /nfs/dbraw/zinc/15/50/02/136155002.db2.gz VIYSKTZZXZPGKA-RYUDHWBXSA-N 1 2 375.498 2.432 50 0 GEAALO O=C1C[C@H](c2ccc[nH+]c2N2CCOCC2)c2c(n[nH]c2-c2ccccn2)N1 ZINC000065398175 136163844 /nfs/dbraw/zinc/16/38/44/136163844.db2.gz AYNXQORQHMOSMV-CQSZACIVSA-N 1 2 376.420 2.177 50 0 GEAALO Cc1cccc2[nH+]c(CNC(=O)C(=O)Nc3cccnc3N3CCCCC3)cn21 ZINC000069562700 136165211 /nfs/dbraw/zinc/16/52/11/136165211.db2.gz LPJLXSHYENIDCL-UHFFFAOYSA-N 1 2 392.463 2.283 50 0 GEAALO CC[NH+]1CCN(c2ncc(S(=O)(=O)c3ccc(C(C)C)cc3)c(N)n2)CC1 ZINC000071771669 136166528 /nfs/dbraw/zinc/16/65/28/136166528.db2.gz GVRZRGMSIHFVDA-UHFFFAOYSA-N 1 2 389.525 2.157 50 0 GEAALO Cc1cccc2[nH+]c([C@H]3CCCN(c4ccnc(C(=O)NCCO)c4)C3)[nH]c21 ZINC000072157000 136167053 /nfs/dbraw/zinc/16/70/53/136167053.db2.gz UVMQIBHPHNRGHA-HNNXBMFYSA-N 1 2 379.464 2.372 50 0 GEAALO Cc1cccc2[nH]c([C@H]3CCCN(c4ccnc(C(=O)NCCO)c4)C3)[nH+]c21 ZINC000072157000 136167054 /nfs/dbraw/zinc/16/70/54/136167054.db2.gz UVMQIBHPHNRGHA-HNNXBMFYSA-N 1 2 379.464 2.372 50 0 GEAALO O=C(/C=C\c1nc2ccccc2o1)OCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000096931236 136188006 /nfs/dbraw/zinc/18/80/06/136188006.db2.gz QLYGOJPZTCCBKK-HJWRWDBZSA-N 1 2 392.415 2.128 50 0 GEAALO CCOc1ccc(N2C(=O)C[C@H]([NH+]3CCN(c4ccccc4O)CC3)C2=O)cc1 ZINC000100637694 136189138 /nfs/dbraw/zinc/18/91/38/136189138.db2.gz FLFXMSNPNWWFEC-IBGZPJMESA-N 1 2 395.459 2.245 50 0 GEAALO O=c1c(Cl)c(Cl)cnn1CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000022794500 518203267 /nfs/dbraw/zinc/20/32/67/518203267.db2.gz SBGHYLYFPZGPCE-UHFFFAOYSA-N 1 2 397.262 2.054 50 0 GEAALO CN(C)S(=O)(=O)c1cc(NC(=O)C[N@H+](C)Cc2ccco2)ccc1Cl ZINC000006548519 521972367 /nfs/dbraw/zinc/97/23/67/521972367.db2.gz JGUZGBOVNPAFCZ-UHFFFAOYSA-N 1 2 385.873 2.254 50 0 GEAALO CN(C)S(=O)(=O)c1cc(NC(=O)C[N@@H+](C)Cc2ccco2)ccc1Cl ZINC000006548519 521972375 /nfs/dbraw/zinc/97/23/75/521972375.db2.gz JGUZGBOVNPAFCZ-UHFFFAOYSA-N 1 2 385.873 2.254 50 0 GEAALO CCc1noc(C)c1C(=O)N1CCC2(CC1)c1[nH+]c[nH]c1CCN2C(=O)C1CC1 ZINC000095496760 522826540 /nfs/dbraw/zinc/82/65/40/522826540.db2.gz PPCINBDYNBJEKZ-UHFFFAOYSA-N 1 2 397.479 2.195 50 0 GEAALO CCOc1ccnc(N2CC[NH+](Cc3cnn(Cc4ccccc4)c3)CC2)n1 ZINC000089272229 535557965 /nfs/dbraw/zinc/55/79/65/535557965.db2.gz RTDXEMMSCNATRG-UHFFFAOYSA-N 1 2 378.480 2.442 50 0 GEAALO CN(C)C(=O)c1cc2c(s1)CC[C@@H](C(=O)N1CCN(c3cccc[nH+]3)CC1)C2 ZINC000096398256 536099092 /nfs/dbraw/zinc/09/90/92/536099092.db2.gz QZHLZGNRKBBJJZ-OAHLLOKOSA-N 1 2 398.532 2.299 50 0 GEAALO CN(C)c1cc(N[C@@H]2CC(C)(C)Cc3nc(N4CCC(O)CC4)ncc32)[nH+]cn1 ZINC000092080790 536145539 /nfs/dbraw/zinc/14/55/39/536145539.db2.gz JOIBWZOTTNLCNP-MRXNPFEDSA-N 1 2 397.527 2.419 50 0 GEAALO CN(C)c1cc(N[C@@H]2CC(C)(C)Cc3nc(N4CCC(O)CC4)ncc32)nc[nH+]1 ZINC000092080790 536145541 /nfs/dbraw/zinc/14/55/41/536145541.db2.gz JOIBWZOTTNLCNP-MRXNPFEDSA-N 1 2 397.527 2.419 50 0 GEAALO COc1ccc(N2C(=O)C[C@@H]([NH+]3CCN(c4ccccc4OC)CC3)C2=O)cc1 ZINC000100313936 536661872 /nfs/dbraw/zinc/66/18/72/536661872.db2.gz AWUXVWBWGKFJSV-LJQANCHMSA-N 1 2 395.459 2.158 50 0 GEAALO COc1ccc(C(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)cc1N1CCOCC1 ZINC000095530793 536722931 /nfs/dbraw/zinc/72/29/31/536722931.db2.gz BCIDKSDSAAEGQU-KRWDZBQOSA-N 1 2 384.480 2.285 50 0 GEAALO Cc1ccc(-n2nc(COc3ccccc3)nc2[C@H]2C[NH2+]CC(=O)N2)c(C)c1 ZINC000096131633 570211161 /nfs/dbraw/zinc/21/11/61/570211161.db2.gz GIVXBUVMUWEIHX-QGZVFWFLSA-N 1 2 377.448 2.224 50 0 GEAALO Cn1c(C[NH+]2CCCCC2)nnc1C1CCN(C(=O)Cc2ccncc2)CC1 ZINC000096141141 570213117 /nfs/dbraw/zinc/21/31/17/570213117.db2.gz KUJDWXFOYQXGSM-UHFFFAOYSA-N 1 2 382.512 2.145 50 0 GEAALO NC(=O)Cn1cc[nH+]c1C1CCN(C(=O)c2cc(-c3ccccc3)on2)CC1 ZINC000096154124 570216167 /nfs/dbraw/zinc/21/61/67/570216167.db2.gz UHXNCJZSCPOYMT-UHFFFAOYSA-N 1 2 379.420 2.043 50 0 GEAALO CCNC(=O)c1ccc(NC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)c(C)c1 ZINC000096180737 570218626 /nfs/dbraw/zinc/21/86/26/570218626.db2.gz LZXFXJBPRUZVBJ-GOSISDBHSA-N 1 2 388.512 2.463 50 0 GEAALO CC(=O)Nc1ccc(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000019863508 570226478 /nfs/dbraw/zinc/22/64/78/570226478.db2.gz XKVUMAIILIGDCK-UHFFFAOYSA-N 1 2 381.432 2.332 50 0 GEAALO O=C(NCCC[NH+]1CCOCC1)c1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000019932883 570231215 /nfs/dbraw/zinc/23/12/15/570231215.db2.gz GJIPCJYHEKWCSQ-UHFFFAOYSA-N 1 2 384.358 2.208 50 0 GEAALO CCc1nnc(CN(C)C(=O)Nc2cc3c(cc2-n2cc[nH+]c2)OCCO3)o1 ZINC000097272400 570240451 /nfs/dbraw/zinc/24/04/51/570240451.db2.gz MIHIKAQVINKJKU-UHFFFAOYSA-N 1 2 384.396 2.253 50 0 GEAALO O=C([C@H]1CCN(c2ccc(Cl)cc2)C1=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000015782657 570245335 /nfs/dbraw/zinc/24/53/35/570245335.db2.gz ZILBBQJFNMCGIJ-QGZVFWFLSA-N 1 2 384.867 2.437 50 0 GEAALO Cc1cn(-c2ccc(SCC(=O)NCc3ccc4c(c3)OCO4)nn2)c[nH+]1 ZINC000049401159 570263849 /nfs/dbraw/zinc/26/38/49/570263849.db2.gz PSPPTGPLPXNDGG-UHFFFAOYSA-N 1 2 383.433 2.108 50 0 GEAALO C[C@@H](O)CNc1nc2nnnn2c2sc3c(c21)CC[N@@H+](Cc1ccccc1)C3 ZINC000020517603 570265090 /nfs/dbraw/zinc/26/50/90/570265090.db2.gz APFGNGMSDHXFON-GFCCVEGCSA-N 1 2 395.492 2.085 50 0 GEAALO C[C@@H](O)CNc1nc2nnnn2c2sc3c(c21)CC[N@H+](Cc1ccccc1)C3 ZINC000020517603 570265091 /nfs/dbraw/zinc/26/50/91/570265091.db2.gz APFGNGMSDHXFON-GFCCVEGCSA-N 1 2 395.492 2.085 50 0 GEAALO CCN(Cc1ccc(OC)c(F)c1)C(=O)C[NH+]1CCN(c2nccs2)CC1 ZINC000012856614 570267473 /nfs/dbraw/zinc/26/74/73/570267473.db2.gz GDIGCEWJHBETNV-UHFFFAOYSA-N 1 2 392.500 2.462 50 0 GEAALO O=C(C[N@@H+](Cc1ccccc1F)C1CC1)N1CCN(C(=O)c2ccco2)CC1 ZINC000012862083 570268118 /nfs/dbraw/zinc/26/81/18/570268118.db2.gz PDPZUAIHGNIQND-UHFFFAOYSA-N 1 2 385.439 2.368 50 0 GEAALO O=C(C[N@H+](Cc1ccccc1F)C1CC1)N1CCN(C(=O)c2ccco2)CC1 ZINC000012862083 570268120 /nfs/dbraw/zinc/26/81/20/570268120.db2.gz PDPZUAIHGNIQND-UHFFFAOYSA-N 1 2 385.439 2.368 50 0 GEAALO O=C(CCn1cnc2ccccc2c1=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000020623087 570272837 /nfs/dbraw/zinc/27/28/37/570272837.db2.gz ISJFPFMMDQISDK-UHFFFAOYSA-N 1 2 392.459 2.258 50 0 GEAALO CCOC(=O)CN1CCC[C@H]1c1ccc(C(=O)NCCCn2cc[nH+]c2)s1 ZINC000020864817 570282666 /nfs/dbraw/zinc/28/26/66/570282666.db2.gz KKCUEPVHBVESJA-HNNXBMFYSA-N 1 2 390.509 2.465 50 0 GEAALO CN(C)C(=O)c1ccc(NC(=O)C[N@H+](C)Cc2ccc3c(c2)OCCO3)cc1 ZINC000012884740 570284814 /nfs/dbraw/zinc/28/48/14/570284814.db2.gz IGPBJBFIHNLWDW-UHFFFAOYSA-N 1 2 383.448 2.230 50 0 GEAALO CN(C)C(=O)c1ccc(NC(=O)C[N@@H+](C)Cc2ccc3c(c2)OCCO3)cc1 ZINC000012884740 570284815 /nfs/dbraw/zinc/28/48/15/570284815.db2.gz IGPBJBFIHNLWDW-UHFFFAOYSA-N 1 2 383.448 2.230 50 0 GEAALO O=C(CSc1nccc(C(F)(F)F)n1)N1CCN(c2cccc[nH+]2)CC1 ZINC000012908250 570290824 /nfs/dbraw/zinc/29/08/24/570290824.db2.gz WJIMQOIXOJEFJS-UHFFFAOYSA-N 1 2 383.399 2.331 50 0 GEAALO Cc1cc(C)cc(OCC[N@@H+](C)Cc2nc3ccccc3c(=O)n2CC(N)=O)c1 ZINC000012913577 570291645 /nfs/dbraw/zinc/29/16/45/570291645.db2.gz JSTHLJXDTHYNHW-UHFFFAOYSA-N 1 2 394.475 2.009 50 0 GEAALO Cc1cc(C)cc(OCC[N@H+](C)Cc2nc3ccccc3c(=O)n2CC(N)=O)c1 ZINC000012913577 570291651 /nfs/dbraw/zinc/29/16/51/570291651.db2.gz JSTHLJXDTHYNHW-UHFFFAOYSA-N 1 2 394.475 2.009 50 0 GEAALO O=C(C[NH+]1CCN(Cc2cc(Cl)c3c(c2)OCCCO3)CC1)N1CCCC1 ZINC000021583110 570292728 /nfs/dbraw/zinc/29/27/28/570292728.db2.gz QHQDDVLTZHHYGL-UHFFFAOYSA-N 1 2 393.915 2.241 50 0 GEAALO CS(=O)(=O)N1CCC[N@H+](CC(=O)Nc2ccccc2-c2ccccc2)CC1 ZINC000012917960 570293475 /nfs/dbraw/zinc/29/34/75/570293475.db2.gz GXOUQNZOOMNFBN-UHFFFAOYSA-N 1 2 387.505 2.259 50 0 GEAALO CS(=O)(=O)N1CCC[N@@H+](CC(=O)Nc2ccccc2-c2ccccc2)CC1 ZINC000012917960 570293477 /nfs/dbraw/zinc/29/34/77/570293477.db2.gz GXOUQNZOOMNFBN-UHFFFAOYSA-N 1 2 387.505 2.259 50 0 GEAALO Cc1c(Cl)c(C(F)(F)F)nn1[C@@H](C)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000022363032 570314393 /nfs/dbraw/zinc/31/43/93/570314393.db2.gz NCOMFOYYIDWEAR-ONGXEEELSA-N 1 2 382.814 2.262 50 0 GEAALO CC[NH+](CC)CCNC(C)=C1C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000100191228 570324758 /nfs/dbraw/zinc/32/47/58/570324758.db2.gz PAFYCEJJDLJWBT-QINSGFPZSA-N 1 2 378.860 2.128 50 0 GEAALO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1CC(=O)Nc1ccc(OC)cc1OC ZINC000247862965 570326416 /nfs/dbraw/zinc/32/64/16/570326416.db2.gz WOUFJCHHVRANKN-XYPHTWIQSA-N 1 2 376.453 2.448 50 0 GEAALO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1CC(=O)Nc1ccc(OC)cc1OC ZINC000247862965 570326417 /nfs/dbraw/zinc/32/64/17/570326417.db2.gz WOUFJCHHVRANKN-XYPHTWIQSA-N 1 2 376.453 2.448 50 0 GEAALO O=C1NC2(CCCCCC2)C(=O)N1CN1CC[NH+](Cc2ccsc2)CC1 ZINC000022777971 570327059 /nfs/dbraw/zinc/32/70/59/570327059.db2.gz IAAALXGALGDPEU-UHFFFAOYSA-N 1 2 376.526 2.468 50 0 GEAALO O=C(CN1CC[NH+](CC(=O)N2CCCC2)CC1)Nc1c(Cl)cccc1Cl ZINC000022912329 570333773 /nfs/dbraw/zinc/33/37/73/570333773.db2.gz UNZNMUOJXSHGJD-UHFFFAOYSA-N 1 2 399.322 2.172 50 0 GEAALO Cc1cccc(NC(=O)CN2CC[NH+](CC(=O)N3C[C@@H](C)C[C@H](C)C3)CC2)c1 ZINC000022929479 570336620 /nfs/dbraw/zinc/33/66/20/570336620.db2.gz SGGGZNAPLIATQW-OALUTQOASA-N 1 2 386.540 2.056 50 0 GEAALO C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)N1CC[NH+](CC(=O)NC2CC2)CC1 ZINC000022931867 570337213 /nfs/dbraw/zinc/33/72/13/570337213.db2.gz VRWBSFIABRTCDU-GFCCVEGCSA-N 1 2 399.322 2.217 50 0 GEAALO Cc1c(Cl)cccc1NC(=O)[C@@H](C)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000022934926 570338055 /nfs/dbraw/zinc/33/80/55/570338055.db2.gz RQCHJDDQXIPUER-MRXNPFEDSA-N 1 2 392.931 2.215 50 0 GEAALO Cc1c(Cl)cccc1NC(=O)[C@H](C)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000022934931 570338327 /nfs/dbraw/zinc/33/83/27/570338327.db2.gz RQCHJDDQXIPUER-INIZCTEOSA-N 1 2 392.931 2.215 50 0 GEAALO CCc1ccc([C@H]2CCc3nc(C(=O)NCC[NH+]4CCOCC4)cn3C2)cc1 ZINC000034899392 570343251 /nfs/dbraw/zinc/34/32/51/570343251.db2.gz LMMCMNQODWQMQS-IBGZPJMESA-N 1 2 382.508 2.238 50 0 GEAALO O=C(c1c[nH]c2ccccc12)[C@H](O)[C@@H](c1ccccc1)[NH+]1CCN(CCO)CC1 ZINC000023116740 570344707 /nfs/dbraw/zinc/34/47/07/570344707.db2.gz RLFLSDRDEWMTOT-FYYLOGMGSA-N 1 2 393.487 2.063 50 0 GEAALO O=C(c1c[nH]c2ccccc12)[C@H](O)[C@@H](c1ccccc1)N1CC[NH+](CCO)CC1 ZINC000023116740 570344710 /nfs/dbraw/zinc/34/47/10/570344710.db2.gz RLFLSDRDEWMTOT-FYYLOGMGSA-N 1 2 393.487 2.063 50 0 GEAALO COC(=O)C[C@@H](c1ccc(O)cc1)c1c(O)cc(C)n(CCc2c[nH+]c[nH]2)c1=O ZINC000604405027 570361801 /nfs/dbraw/zinc/36/18/01/570361801.db2.gz UOFHTTHVPNIODV-KRWDZBQOSA-N 1 2 397.431 2.229 50 0 GEAALO COC(=O)C[C@@H](c1ccc(O)cc1)c1c(O)cc(C)n(CCc2c[nH]c[nH+]2)c1=O ZINC000604405027 570361804 /nfs/dbraw/zinc/36/18/04/570361804.db2.gz UOFHTTHVPNIODV-KRWDZBQOSA-N 1 2 397.431 2.229 50 0 GEAALO Cn1cc[nH+]c1[C@@H](NC(=O)C[C@@H](NC(N)=O)c1ccccc1)c1ccccc1 ZINC000023775932 570372261 /nfs/dbraw/zinc/37/22/61/570372261.db2.gz AVEOLUIXYOBIHE-MJGOQNOKSA-N 1 2 377.448 2.425 50 0 GEAALO COC(=O)c1cccc(S(=O)(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2)c1 ZINC000024363509 570382911 /nfs/dbraw/zinc/38/29/11/570382911.db2.gz AGPMBLFGCQTNJA-QGZVFWFLSA-N 1 2 385.445 2.275 50 0 GEAALO Cc1[nH+]c2ccccc2n1CCNC(=O)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000024498674 570384819 /nfs/dbraw/zinc/38/48/19/570384819.db2.gz OALJQWLKKIUIHI-UHFFFAOYSA-N 1 2 398.488 2.315 50 0 GEAALO COc1ccc(S(=O)(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cc1OC ZINC000024687682 570389836 /nfs/dbraw/zinc/38/98/36/570389836.db2.gz MDIAVBCKYWCQTC-UHFFFAOYSA-N 1 2 387.461 2.427 50 0 GEAALO O=C(CCn1cnc2ccccc21)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000032239206 570391562 /nfs/dbraw/zinc/39/15/62/570391562.db2.gz VJLVCTRKTYUYEK-LJQANCHMSA-N 1 2 378.476 2.444 50 0 GEAALO O=C(CCn1cnc2ccccc21)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000032239206 570391566 /nfs/dbraw/zinc/39/15/66/570391566.db2.gz VJLVCTRKTYUYEK-LJQANCHMSA-N 1 2 378.476 2.444 50 0 GEAALO C[C@@H](NC(=O)NCc1cc[nH+]c(N2CCOCC2)c1)c1ccc2c(c1)OCO2 ZINC000012984136 570408036 /nfs/dbraw/zinc/40/80/36/570408036.db2.gz LFDHBWISQZQGFY-CQSZACIVSA-N 1 2 384.436 2.207 50 0 GEAALO COC(=O)[C@H](CCSC)NC(=O)N1CC[NH+](/C=C/c2ccccc2)CC1 ZINC000049677918 570411139 /nfs/dbraw/zinc/41/11/39/570411139.db2.gz IVCPTKPLRINHHD-VMSUTVGLSA-N 1 2 377.510 2.279 50 0 GEAALO O=C(NCc1cc[nH+]c(N2CCOCC2)c1)Nc1ccc2c(c1)OCCCO2 ZINC000043493428 570415343 /nfs/dbraw/zinc/41/53/43/570415343.db2.gz GCWVWLIOZNIGSF-UHFFFAOYSA-N 1 2 384.436 2.401 50 0 GEAALO O=C(C[C@@H]1OC(=O)c2ccccc21)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000025784650 570419444 /nfs/dbraw/zinc/41/94/44/570419444.db2.gz ACZQHUBULISSCZ-IBGZPJMESA-N 1 2 394.427 2.361 50 0 GEAALO COc1ccc(S(=O)(=O)NCc2ccc(N3CCCC3)[nH+]c2)cc1OC ZINC000028041031 570450071 /nfs/dbraw/zinc/45/00/71/570450071.db2.gz BARLGRKPHXEUAS-UHFFFAOYSA-N 1 2 377.466 2.178 50 0 GEAALO O=S(=O)(NCc1cc[nH+]c(N2CCOCC2)c1)c1ccc2c(c1)CCCC2 ZINC000028054049 570450377 /nfs/dbraw/zinc/45/03/77/570450377.db2.gz QLCYGEFJHZPVPE-UHFFFAOYSA-N 1 2 387.505 2.276 50 0 GEAALO Cn1cc[nH+]c1[C@@H](NC(=O)c1n[nH]c(=O)c2ccccc12)c1cccc(F)c1 ZINC000029081112 570468153 /nfs/dbraw/zinc/46/81/53/570468153.db2.gz VAJBHQFVMGREBN-INIZCTEOSA-N 1 2 377.379 2.315 50 0 GEAALO Cc1cc2[nH+]cn(CC(=O)N(CC(C)C)[C@H]3CCS(=O)(=O)C3)c2cc1C ZINC000035870803 570468489 /nfs/dbraw/zinc/46/84/89/570468489.db2.gz LZDSPHJLQYOBKS-INIZCTEOSA-N 1 2 377.510 2.325 50 0 GEAALO O=C(NCc1ccc(-n2cc[nH+]c2)nc1)C1CCN(C(=O)c2cccs2)CC1 ZINC000029219861 570470488 /nfs/dbraw/zinc/47/04/88/570470488.db2.gz ARJROSRQOKEJIG-UHFFFAOYSA-N 1 2 395.488 2.497 50 0 GEAALO Cc1cc(C(=O)NCc2ccc[nH+]c2N(C)CCc2ccccn2)nc(C)n1 ZINC000012448804 570667783 /nfs/dbraw/zinc/66/77/83/570667783.db2.gz XVLFDPFXYKGENB-UHFFFAOYSA-N 1 2 376.464 2.492 50 0 GEAALO CCOC(=O)CNC(=O)CSc1[nH+]cnc2c1cnn2-c1ccc(C)cc1C ZINC000004341752 570676566 /nfs/dbraw/zinc/67/65/66/570676566.db2.gz GWFQJJIYMXCEAJ-UHFFFAOYSA-N 1 2 399.476 2.204 50 0 GEAALO COc1ccccc1C[N@@H+]1CCNC(=O)[C@@H]1CC(=O)NCc1ccc(C)cc1 ZINC000012704393 570700152 /nfs/dbraw/zinc/70/01/52/570700152.db2.gz BYMCGHGBLDKMLY-IBGZPJMESA-N 1 2 381.476 2.011 50 0 GEAALO COc1ccccc1C[N@H+]1CCNC(=O)[C@@H]1CC(=O)NCc1ccc(C)cc1 ZINC000012704393 570700154 /nfs/dbraw/zinc/70/01/54/570700154.db2.gz BYMCGHGBLDKMLY-IBGZPJMESA-N 1 2 381.476 2.011 50 0 GEAALO COCC[NH+]=C1Nc2ccccc2N[C@]12CCCN(C(=O)c1ccccn1)C2 ZINC000065259891 570761816 /nfs/dbraw/zinc/76/18/16/570761816.db2.gz UDBBKSGPDDPDIZ-NRFANRHFSA-N 1 2 379.464 2.448 50 0 GEAALO Cn1cc[nH+]c1[C@@H](NC(=O)Cn1cnc2ccccc2c1=O)c1cccc(F)c1 ZINC000012507595 570823059 /nfs/dbraw/zinc/82/30/59/570823059.db2.gz SPGWECCKIUVYHK-IBGZPJMESA-N 1 2 391.406 2.175 50 0 GEAALO C[NH+]1CCN(S(=O)(=O)c2ccc(Sc3ccc(F)cc3F)nc2)CC1 ZINC000012508781 570824277 /nfs/dbraw/zinc/82/42/77/570824277.db2.gz VREIKLFSQKEWFJ-UHFFFAOYSA-N 1 2 385.461 2.447 50 0 GEAALO CCc1ccccc1N1C[C@@H](C(=O)N2CCN(c3cccc[nH+]3)CC2)CC1=O ZINC000014165171 570825770 /nfs/dbraw/zinc/82/57/70/570825770.db2.gz SEZKBIKDDNXKEJ-SFHVURJKSA-N 1 2 378.476 2.346 50 0 GEAALO CCC[C@H]1NC(=O)N(C[N@@H+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)C1=O ZINC000014198111 570829018 /nfs/dbraw/zinc/82/90/18/570829018.db2.gz YOJULGMYFLHZRE-CQSZACIVSA-N 1 2 399.417 2.291 50 0 GEAALO CCC[C@H]1NC(=O)N(C[N@H+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)C1=O ZINC000014198111 570829023 /nfs/dbraw/zinc/82/90/23/570829023.db2.gz YOJULGMYFLHZRE-CQSZACIVSA-N 1 2 399.417 2.291 50 0 GEAALO Cc1cc(C(=O)Nc2cccc(CC[N@@H+](C)C3CC3)c2)[nH]c2nc(=O)[nH]c(=O)c1-2 ZINC000170591747 570850351 /nfs/dbraw/zinc/85/03/51/570850351.db2.gz VXANENPYZJVJAW-UHFFFAOYSA-N 1 2 393.447 2.221 50 0 GEAALO Cc1cc(C(=O)Nc2cccc(CC[N@H+](C)C3CC3)c2)[nH]c2nc(=O)[nH]c(=O)c1-2 ZINC000170591747 570850352 /nfs/dbraw/zinc/85/03/52/570850352.db2.gz VXANENPYZJVJAW-UHFFFAOYSA-N 1 2 393.447 2.221 50 0 GEAALO CC[N@@H+](Cc1cc(=O)n2cc(C)ccc2n1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000007487183 570850808 /nfs/dbraw/zinc/85/08/08/570850808.db2.gz GIVKIVLMRKYANE-UHFFFAOYSA-N 1 2 375.432 2.262 50 0 GEAALO CC[N@H+](Cc1cc(=O)n2cc(C)ccc2n1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000007487183 570850809 /nfs/dbraw/zinc/85/08/09/570850809.db2.gz GIVKIVLMRKYANE-UHFFFAOYSA-N 1 2 375.432 2.262 50 0 GEAALO COc1ccccc1[C@@H](NC(=O)[C@@H]1COc2ccccc2O1)c1[nH+]ccn1C ZINC000032842361 570851010 /nfs/dbraw/zinc/85/10/10/570851010.db2.gz PIDVVAGQFBYWCC-RBUKOAKNSA-N 1 2 379.416 2.474 50 0 GEAALO COc1ccc(C[N@@H+]2CCN3C(=O)[C@H](CC4CCCCC4)NC(=O)[C@H]3C2)cc1 ZINC000014751099 570858847 /nfs/dbraw/zinc/85/88/47/570858847.db2.gz JFQRPHIBMPXELE-VQTJNVASSA-N 1 2 385.508 2.177 50 0 GEAALO COc1ccc(C[N@H+]2CCN3C(=O)[C@H](CC4CCCCC4)NC(=O)[C@H]3C2)cc1 ZINC000014751099 570858851 /nfs/dbraw/zinc/85/88/51/570858851.db2.gz JFQRPHIBMPXELE-VQTJNVASSA-N 1 2 385.508 2.177 50 0 GEAALO COc1ccc(C(=O)C2CC[NH+](CC(=O)Nc3ccc(C(N)=O)cc3)CC2)cc1 ZINC000014809327 570861073 /nfs/dbraw/zinc/86/10/73/570861073.db2.gz HKKMMIWEIYSSOQ-UHFFFAOYSA-N 1 2 395.459 2.328 50 0 GEAALO CC(=O)N1CCN(c2ncccc2C[NH2+]Cc2c(F)ccc(F)c2F)CC1 ZINC000014954415 570865705 /nfs/dbraw/zinc/86/57/05/570865705.db2.gz QMCAXEQTBKKALV-UHFFFAOYSA-N 1 2 378.398 2.457 50 0 GEAALO COCCCC1CCN(C(=O)C[C@@H]2C(=O)NCC[N@H+]2Cc2cccs2)CC1 ZINC000014970294 570867182 /nfs/dbraw/zinc/86/71/82/570867182.db2.gz UIYINJMILGJQOD-GOSISDBHSA-N 1 2 393.553 2.104 50 0 GEAALO COCCCC1CCN(C(=O)C[C@@H]2C(=O)NCC[N@@H+]2Cc2cccs2)CC1 ZINC000014970294 570867185 /nfs/dbraw/zinc/86/71/85/570867185.db2.gz UIYINJMILGJQOD-GOSISDBHSA-N 1 2 393.553 2.104 50 0 GEAALO COCCCC1CCN(C(=O)C[C@H]2C(=O)NCC[N@H+]2Cc2cccs2)CC1 ZINC000014970289 570867597 /nfs/dbraw/zinc/86/75/97/570867597.db2.gz UIYINJMILGJQOD-SFHVURJKSA-N 1 2 393.553 2.104 50 0 GEAALO COCCCC1CCN(C(=O)C[C@H]2C(=O)NCC[N@@H+]2Cc2cccs2)CC1 ZINC000014970289 570867599 /nfs/dbraw/zinc/86/75/99/570867599.db2.gz UIYINJMILGJQOD-SFHVURJKSA-N 1 2 393.553 2.104 50 0 GEAALO O=C(NCc1ccc[nH+]c1N1CCOCC1)Nc1cccc(Cn2cccn2)c1 ZINC000044247737 570873326 /nfs/dbraw/zinc/87/33/26/570873326.db2.gz OCYSGMSVMUMTHM-UHFFFAOYSA-N 1 2 392.463 2.485 50 0 GEAALO O=C(CN1CC[NH+](Cc2ccco2)CC1)NCCOc1ccc(Cl)cc1 ZINC000170619174 570876390 /nfs/dbraw/zinc/87/63/90/570876390.db2.gz JMEWLZUMCZSTLY-UHFFFAOYSA-N 1 2 377.872 2.246 50 0 GEAALO COCc1ccc(C[N@@H+]2CCCC[C@@H]2C(=O)Nc2ccc(-n3cnnn3)cc2)o1 ZINC000015073169 570877907 /nfs/dbraw/zinc/87/79/07/570877907.db2.gz OMJMHDDJRHGENN-LJQANCHMSA-N 1 2 396.451 2.395 50 0 GEAALO COCc1ccc(C[N@H+]2CCCC[C@@H]2C(=O)Nc2ccc(-n3cnnn3)cc2)o1 ZINC000015073169 570877909 /nfs/dbraw/zinc/87/79/09/570877909.db2.gz OMJMHDDJRHGENN-LJQANCHMSA-N 1 2 396.451 2.395 50 0 GEAALO O=C(NCc1ccccc1Cn1cc[nH+]c1)c1cccnc1N1CCOCC1 ZINC000032882549 570883811 /nfs/dbraw/zinc/88/38/11/570883811.db2.gz PTHZFAMWGNEGOR-UHFFFAOYSA-N 1 2 377.448 2.093 50 0 GEAALO CC[C@@](C)(O)C[NH+]1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000097102875 570894348 /nfs/dbraw/zinc/89/43/48/570894348.db2.gz QDAUPPSQCVRCDT-OAHLLOKOSA-N 1 2 381.325 2.461 50 0 GEAALO O=C(CSc1[nH+]cnc2c1cnn2-c1ccc(F)cc1)NC(=O)NC1CC1 ZINC000013295797 570894771 /nfs/dbraw/zinc/89/47/71/570894771.db2.gz NFAIZEYUUWIZBL-UHFFFAOYSA-N 1 2 386.412 2.035 50 0 GEAALO CCOC(=O)CCNC(=O)N1CC[NH+](Cc2ccc(OC(C)C)cc2)CC1 ZINC000013328202 570895551 /nfs/dbraw/zinc/89/55/51/570895551.db2.gz GZIBVHIMCVDKBD-UHFFFAOYSA-N 1 2 377.485 2.254 50 0 GEAALO O=C(NC[C@H](O)C[NH+]1CCOCC1)c1cc2ccccc2n1Cc1ccccc1 ZINC000089840999 570916800 /nfs/dbraw/zinc/91/68/00/570916800.db2.gz VYUCQDMCUWPCPH-FQEVSTJZSA-N 1 2 393.487 2.113 50 0 GEAALO C[C@H]1CN(c2ccc(CNC(=O)Cc3cn4ccsc4n3)c[nH+]2)C[C@H](C)O1 ZINC000032930458 570943577 /nfs/dbraw/zinc/94/35/77/570943577.db2.gz POBUNXBNYYBRHF-KBPBESRZSA-N 1 2 385.493 2.263 50 0 GEAALO CC(C)[C@H](C(=O)NCC(=O)Nc1ccc(F)c(F)c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000106142581 570948900 /nfs/dbraw/zinc/94/89/00/570948900.db2.gz AUKJYJCEDXWWQN-FHSNZYRGSA-N 1 2 383.439 2.153 50 0 GEAALO CC(C)[C@H](C(=O)NCC(=O)Nc1ccc(F)c(F)c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000106142581 570948901 /nfs/dbraw/zinc/94/89/01/570948901.db2.gz AUKJYJCEDXWWQN-FHSNZYRGSA-N 1 2 383.439 2.153 50 0 GEAALO CC(=O)Nc1ccc(N2C(=O)C[C@H]([NH+]3CCN(c4ccccc4)CC3)C2=O)cc1 ZINC000018115098 570950529 /nfs/dbraw/zinc/95/05/29/570950529.db2.gz APPSQVWORMEOGI-FQEVSTJZSA-N 1 2 392.459 2.099 50 0 GEAALO Cc1cccc(N2C[C@H](C(=O)N3CC[NH+](Cc4ccncc4)CC3)CC2=O)c1C ZINC000012734341 570976730 /nfs/dbraw/zinc/97/67/30/570976730.db2.gz LCKCTBDSABNTOJ-HXUWFJFHSA-N 1 2 392.503 2.396 50 0 GEAALO O=C(Nc1ccccc1)[C@@H]1CCCN(c2cc(N3CCC[C@H]3CO)nc[nH+]2)C1 ZINC000252514770 570983147 /nfs/dbraw/zinc/98/31/47/570983147.db2.gz DOPAFZYRIPPEEL-AEFFLSMTSA-N 1 2 381.480 2.293 50 0 GEAALO O=C(Nc1ccccc1)[C@@H]1CCCN(c2cc(N3CCC[C@H]3CO)[nH+]cn2)C1 ZINC000252514770 570983152 /nfs/dbraw/zinc/98/31/52/570983152.db2.gz DOPAFZYRIPPEEL-AEFFLSMTSA-N 1 2 381.480 2.293 50 0 GEAALO CC(=O)N1CC[NH+](CCC(=O)Nc2ccccc2C(=O)c2ccccc2)CC1 ZINC000012743506 570986979 /nfs/dbraw/zinc/98/69/79/570986979.db2.gz MFMNHSJOCALNRX-UHFFFAOYSA-N 1 2 379.460 2.410 50 0 GEAALO O=C(c1ccc(Cn2cncn2)cc1)N1CC[NH+](Cc2ccccc2F)CC1 ZINC000023233414 570990342 /nfs/dbraw/zinc/99/03/42/570990342.db2.gz AIXIQWFAMBAXRV-UHFFFAOYSA-N 1 2 379.439 2.424 50 0 GEAALO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1CC(=O)NC(=O)Nc1ccc(OC)cc1 ZINC000109043312 570995630 /nfs/dbraw/zinc/99/56/30/570995630.db2.gz RZSKKDQEEDTKAH-JQFCIGGWSA-N 1 2 389.452 2.149 50 0 GEAALO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CC(=O)NC(=O)Nc1ccc(OC)cc1 ZINC000109043312 570995632 /nfs/dbraw/zinc/99/56/32/570995632.db2.gz RZSKKDQEEDTKAH-JQFCIGGWSA-N 1 2 389.452 2.149 50 0 GEAALO CCCc1cc(C(=O)N2CCC3(CCC(=O)N(CCc4c[nH+]c[nH]4)C3)CC2)no1 ZINC000091270201 571001785 /nfs/dbraw/zinc/00/17/85/571001785.db2.gz IFSHPSQQAAXVDE-UHFFFAOYSA-N 1 2 399.495 2.438 50 0 GEAALO CCCc1cc(C(=O)N2CCC3(CCC(=O)N(CCc4c[nH]c[nH+]4)C3)CC2)no1 ZINC000091270201 571001788 /nfs/dbraw/zinc/00/17/88/571001788.db2.gz IFSHPSQQAAXVDE-UHFFFAOYSA-N 1 2 399.495 2.438 50 0 GEAALO Cc1ccncc1C(=O)N1CCC[C@]2(CCC(=O)N(CCc3c[nH+]c[nH]3)C2)C1 ZINC000091410152 571006609 /nfs/dbraw/zinc/00/66/09/571006609.db2.gz BTXVACNMMOGKES-OAQYLSRUSA-N 1 2 381.480 2.201 50 0 GEAALO Cc1ccncc1C(=O)N1CCC[C@]2(CCC(=O)N(CCc3c[nH]c[nH+]3)C2)C1 ZINC000091410152 571006613 /nfs/dbraw/zinc/00/66/13/571006613.db2.gz BTXVACNMMOGKES-OAQYLSRUSA-N 1 2 381.480 2.201 50 0 GEAALO CSCCC(=O)N1CCC2(CC1)c1[nH+]c[nH]c1CCN2C(=O)C1CCC1 ZINC000091474371 571009869 /nfs/dbraw/zinc/00/98/69/571009869.db2.gz RZFXEAHXOPCFIV-UHFFFAOYSA-N 1 2 376.526 2.165 50 0 GEAALO C[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1cc(=O)c3ccccc3o1)CC2 ZINC000091536703 571013121 /nfs/dbraw/zinc/01/31/21/571013121.db2.gz KEJHBSFSGFWMNR-UHFFFAOYSA-N 1 2 378.432 2.136 50 0 GEAALO C[N@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1cc(=O)c3ccccc3o1)CC2 ZINC000091536703 571013126 /nfs/dbraw/zinc/01/31/26/571013126.db2.gz KEJHBSFSGFWMNR-UHFFFAOYSA-N 1 2 378.432 2.136 50 0 GEAALO O=C(c1ccccc1-n1cccn1)N1CC[NH+](Cc2ccccc2CO)CC1 ZINC000019608181 571021824 /nfs/dbraw/zinc/02/18/24/571021824.db2.gz GVKNNDPRCHBRGF-UHFFFAOYSA-N 1 2 376.460 2.323 50 0 GEAALO COCCc1noc(C[NH+]2CCC3(CCC(=O)N(Cc4ccccn4)C3)CC2)n1 ZINC000091724645 571027909 /nfs/dbraw/zinc/02/79/09/571027909.db2.gz BFZIHWSRSBXGIC-UHFFFAOYSA-N 1 2 399.495 2.058 50 0 GEAALO CC(=O)N1CCc2[nH]cnc2C12CC[NH+](Cc1nc3ccccc3n1C)CC2 ZINC000091769283 571029773 /nfs/dbraw/zinc/02/97/73/571029773.db2.gz AXVPHWRDZMBYNH-UHFFFAOYSA-N 1 2 378.480 2.192 50 0 GEAALO CC(=O)N1CCc2nc[nH]c2C12CC[NH+](Cc1nc3ccccc3n1C)CC2 ZINC000091769283 571029776 /nfs/dbraw/zinc/02/97/76/571029776.db2.gz AXVPHWRDZMBYNH-UHFFFAOYSA-N 1 2 378.480 2.192 50 0 GEAALO O=C(C[C@H]1C=CS(=O)(=O)C1)N1CCC(c2[nH+]ccn2CC2CCC2)CC1 ZINC000091779458 571030127 /nfs/dbraw/zinc/03/01/27/571030127.db2.gz IODMKMRWUYMPRY-MRXNPFEDSA-N 1 2 377.510 2.338 50 0 GEAALO O=C(C[C@@H]1C=CS(=O)(=O)C1)N1CCC(c2[nH+]ccn2CC2CCC2)CC1 ZINC000091779462 571030309 /nfs/dbraw/zinc/03/03/09/571030309.db2.gz IODMKMRWUYMPRY-INIZCTEOSA-N 1 2 377.510 2.338 50 0 GEAALO Cc1cc(C(=O)N2CCC3(CC2)c2[nH+]c[nH]c2CCN3C(=O)C2CCC2)on1 ZINC000091830009 571032182 /nfs/dbraw/zinc/03/21/82/571032182.db2.gz VRLIYDSAHFKQPI-UHFFFAOYSA-N 1 2 383.452 2.022 50 0 GEAALO CCn1cc[nH+]c1CN(C)C(=O)[C@@H]1CCC(=O)N(Cc2cccc(OC)c2)C1 ZINC000091871733 571034270 /nfs/dbraw/zinc/03/42/70/571034270.db2.gz QMFQXSPZWVXCSB-QGZVFWFLSA-N 1 2 384.480 2.309 50 0 GEAALO O=C(Cn1cc[nH+]c1)N1CCC[C@]2(CCC(=O)N(CCc3ccccc3)C2)C1 ZINC000091906970 571035630 /nfs/dbraw/zinc/03/56/30/571035630.db2.gz DIVIGRHKAZESIC-QFIPXVFZSA-N 1 2 380.492 2.357 50 0 GEAALO O=C(c1ccc(F)cc1)N1CCC2(CC1)c1[nH+]c[nH]c1CCN2C(=O)C1CC1 ZINC000092066400 571043789 /nfs/dbraw/zinc/04/37/89/571043789.db2.gz ACMOKICSHRLRQQ-UHFFFAOYSA-N 1 2 382.439 2.475 50 0 GEAALO O=C(c1ccc(Cn2cccn2)o1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000095353119 571050473 /nfs/dbraw/zinc/05/04/73/571050473.db2.gz MOYKROGUQGQIJZ-UHFFFAOYSA-N 1 2 380.448 2.361 50 0 GEAALO O=C(NCCS(=O)(=O)c1ccc(F)cc1)C1CC[NH+](Cc2ccco2)CC1 ZINC000095376457 571064622 /nfs/dbraw/zinc/06/46/22/571064622.db2.gz PTHXQCDUZUMDJC-UHFFFAOYSA-N 1 2 394.468 2.221 50 0 GEAALO CC(C)n1cccc1C(=O)N1CCC[C@@H](c2nnc(Cn3cc[nH+]c3)n2C)C1 ZINC000095381138 571067727 /nfs/dbraw/zinc/06/77/27/571067727.db2.gz FCAJIFDTOHKTME-MRXNPFEDSA-N 1 2 381.484 2.462 50 0 GEAALO CC(C)SCC(=O)N1CCC[C@]2(CCC(=O)N(CCc3c[nH+]c[nH]3)C2)C1 ZINC000095497468 571074503 /nfs/dbraw/zinc/07/45/03/571074503.db2.gz MVMKGRVNUFWOLS-IBGZPJMESA-N 1 2 378.542 2.325 50 0 GEAALO CC(C)SCC(=O)N1CCC[C@]2(CCC(=O)N(CCc3c[nH]c[nH+]3)C2)C1 ZINC000095497468 571074504 /nfs/dbraw/zinc/07/45/04/571074504.db2.gz MVMKGRVNUFWOLS-IBGZPJMESA-N 1 2 378.542 2.325 50 0 GEAALO O=C(c1cccc(F)c1)N1CCC2(CC1)c1[nH+]c[nH]c1CCN2C(=O)C1CC1 ZINC000095496976 571074563 /nfs/dbraw/zinc/07/45/63/571074563.db2.gz TUTKRMAETJBBFZ-UHFFFAOYSA-N 1 2 382.439 2.475 50 0 GEAALO COc1cc(C(=O)NCc2[nH]c[nH+]c2C)ccc1OC1CCN(C(C)=O)CC1 ZINC000095498485 571074862 /nfs/dbraw/zinc/07/48/62/571074862.db2.gz AKKNIUCPADWSQL-UHFFFAOYSA-N 1 2 386.452 2.046 50 0 GEAALO O=C([C@H]1CCOc2ccccc2C1)N1CC[NH+](Cc2ccccc2CO)CC1 ZINC000095510393 571081694 /nfs/dbraw/zinc/08/16/94/571081694.db2.gz YDFFAVLJQIRZDY-IBGZPJMESA-N 1 2 380.488 2.465 50 0 GEAALO O=C(c1cn2cccnc2n1)N1CCC[C@@H](c2[nH+]ccn2Cc2ccccn2)C1 ZINC000095517382 571084241 /nfs/dbraw/zinc/08/42/41/571084241.db2.gz ALFJVQOVNOKGGR-MRXNPFEDSA-N 1 2 387.447 2.389 50 0 GEAALO Cc1nc(C[N@H+]2CCC[C@H](CCC(=O)N(C)CCc3ccccn3)C2)n(C)n1 ZINC000095521238 571087109 /nfs/dbraw/zinc/08/71/09/571087109.db2.gz HZMRVKCKDRUILY-GOSISDBHSA-N 1 2 384.528 2.212 50 0 GEAALO Cc1nc(C[N@@H+]2CCC[C@H](CCC(=O)N(C)CCc3ccccn3)C2)n(C)n1 ZINC000095521238 571087111 /nfs/dbraw/zinc/08/71/11/571087111.db2.gz HZMRVKCKDRUILY-GOSISDBHSA-N 1 2 384.528 2.212 50 0 GEAALO COc1cc(Cl)ccc1C(=O)N1CCC[C@@H](c2[nH+]ccn2CC(N)=O)C1 ZINC000095522237 571087711 /nfs/dbraw/zinc/08/77/11/571087711.db2.gz XLMIWUJLWGJPLO-GFCCVEGCSA-N 1 2 376.844 2.050 50 0 GEAALO CCc1ccc(C[N@@H+]2CCc3c(C(=O)N(C)CC(=O)NC)csc3C2)nc1 ZINC000426435389 529642669 /nfs/dbraw/zinc/64/26/69/529642669.db2.gz KAOJUQDLVJXTDT-UHFFFAOYSA-N 1 2 386.521 2.082 50 0 GEAALO CCc1ccc(C[N@H+]2CCc3c(C(=O)N(C)CC(=O)NC)csc3C2)nc1 ZINC000426435389 529642671 /nfs/dbraw/zinc/64/26/71/529642671.db2.gz KAOJUQDLVJXTDT-UHFFFAOYSA-N 1 2 386.521 2.082 50 0 GEAALO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000012916997 531554996 /nfs/dbraw/zinc/55/49/96/531554996.db2.gz KIZIVWHAAGEDKH-LBPRGKRZSA-N 1 2 375.803 2.433 50 0 GEAALO CN(C)C(=O)[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000012916997 531555008 /nfs/dbraw/zinc/55/50/08/531555008.db2.gz KIZIVWHAAGEDKH-LBPRGKRZSA-N 1 2 375.803 2.433 50 0 GEAALO O=C(CCN1C(=O)SC(=Cc2cccs2)C1=O)NCCc1c[nH+]c[nH]1 ZINC000013570139 531560504 /nfs/dbraw/zinc/56/05/04/531560504.db2.gz UCASIENPLXWLND-MDWZMJQESA-N 1 2 376.463 2.257 50 0 GEAALO O=C(CCN1C(=O)SC(=Cc2cccs2)C1=O)NCCc1c[nH]c[nH+]1 ZINC000013570139 531560515 /nfs/dbraw/zinc/56/05/15/531560515.db2.gz UCASIENPLXWLND-MDWZMJQESA-N 1 2 376.463 2.257 50 0 GEAALO COC(=O)c1sccc1S(=O)(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020130149 531579072 /nfs/dbraw/zinc/57/90/72/531579072.db2.gz MDHLWOSGBLCRLY-UHFFFAOYSA-N 1 2 380.491 2.041 50 0 GEAALO CCOC(=O)[C@@H]([NH3+])CS[C@H]1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O ZINC000019782485 531580566 /nfs/dbraw/zinc/58/05/66/531580566.db2.gz CVIWUXKMJRDRKW-RYUDHWBXSA-N 1 2 391.276 2.249 50 0 GEAALO NC(=O)[C@H]1CCC[N@H+](CC(=O)N(CC(F)(F)F)c2ccc(Cl)cc2)C1 ZINC000024948977 531611557 /nfs/dbraw/zinc/61/15/57/531611557.db2.gz NBWKQDDLDAIYTC-NSHDSACASA-N 1 2 377.794 2.433 50 0 GEAALO NC(=O)[C@H]1CCC[N@@H+](CC(=O)N(CC(F)(F)F)c2ccc(Cl)cc2)C1 ZINC000024948977 531611563 /nfs/dbraw/zinc/61/15/63/531611563.db2.gz NBWKQDDLDAIYTC-NSHDSACASA-N 1 2 377.794 2.433 50 0 GEAALO CC1=[NH+]N(Cc2ccccc2Cl)c2nc3c(c(=O)n(C)c(=O)n3C)n2[C@H]1C ZINC000005148014 204115815 /nfs/dbraw/zinc/11/58/15/204115815.db2.gz IQLBEGKUUYWDNM-NSHDSACASA-N 1 2 386.843 2.044 50 0 GEAALO N=c1c2c(ncn1CC[NH+]1CCOCC1)Oc1cc(O)ccc1[C@@H]2c1ccco1 ZINC000005346636 204126784 /nfs/dbraw/zinc/12/67/84/204126784.db2.gz VFYOGXCOZKNEPM-GOSISDBHSA-N 1 2 394.431 2.279 50 0 GEAALO C[C@@H]1CN(C(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)c2ccccc2O1 ZINC000006798223 204207351 /nfs/dbraw/zinc/20/73/51/204207351.db2.gz RISWRZUZQFBYBB-QGZVFWFLSA-N 1 2 394.475 2.325 50 0 GEAALO Cc1cccn2cc(CN3C(=O)N[C@@](C)(c4ccc5c(c4)OCO5)C3=O)[nH+]c12 ZINC000006590392 204186138 /nfs/dbraw/zinc/18/61/38/204186138.db2.gz SQRSSTZFWPZJAE-FQEVSTJZSA-N 1 2 378.388 2.339 50 0 GEAALO COc1cccc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1OC ZINC000008533820 204279276 /nfs/dbraw/zinc/27/92/76/204279276.db2.gz DGEKODHFRPEARL-LBPRGKRZSA-N 1 2 384.436 2.332 50 0 GEAALO COc1cccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1OC ZINC000008533820 204279280 /nfs/dbraw/zinc/27/92/80/204279280.db2.gz DGEKODHFRPEARL-LBPRGKRZSA-N 1 2 384.436 2.332 50 0 GEAALO COc1ccc(CC(=O)NCCNc2cc(-n3nc(C)cc3C)nc[nH+]2)cc1 ZINC000036705474 204324974 /nfs/dbraw/zinc/32/49/74/204324974.db2.gz KRKNCGRHUKCWEH-UHFFFAOYSA-N 1 2 380.452 2.059 50 0 GEAALO O=C(C[C@H]1C(=O)NCC[N@H+]1Cc1ccc2ccccc2c1)NCc1ccccn1 ZINC000011665371 204349647 /nfs/dbraw/zinc/34/96/47/204349647.db2.gz RLKJSLLRUAKUDL-NRFANRHFSA-N 1 2 388.471 2.242 50 0 GEAALO O=C(C[C@H]1C(=O)NCC[N@@H+]1Cc1ccc2ccccc2c1)NCc1ccccn1 ZINC000011665371 204349651 /nfs/dbraw/zinc/34/96/51/204349651.db2.gz RLKJSLLRUAKUDL-NRFANRHFSA-N 1 2 388.471 2.242 50 0 GEAALO COc1ccccc1N1CCN(c2[nH+]cccc2CNC(=O)c2cnc[nH]2)CC1 ZINC000011816793 204353971 /nfs/dbraw/zinc/35/39/71/204353971.db2.gz RAZFEQFQBWHPSJ-UHFFFAOYSA-N 1 2 392.463 2.070 50 0 GEAALO CC[C@@H]1C[N@H+](CC(=O)N2CCC(C(=O)OC)CC2)Cc2cc(OC)ccc2O1 ZINC000012326456 204398519 /nfs/dbraw/zinc/39/85/19/204398519.db2.gz APJUFTMHAYCKHT-QGZVFWFLSA-N 1 2 390.480 2.080 50 0 GEAALO CC[C@@H]1C[N@@H+](CC(=O)N2CCC(C(=O)OC)CC2)Cc2cc(OC)ccc2O1 ZINC000012326456 204398521 /nfs/dbraw/zinc/39/85/21/204398521.db2.gz APJUFTMHAYCKHT-QGZVFWFLSA-N 1 2 390.480 2.080 50 0 GEAALO Cc1nn(C)cc1CNc1ccc(C(=O)N2CCC[C@@H](Cn3cc[nH+]c3)C2)cn1 ZINC000019782279 204682687 /nfs/dbraw/zinc/68/26/87/204682687.db2.gz HZKSYNSDCNDGRD-KRWDZBQOSA-N 1 2 393.495 2.485 50 0 GEAALO C[C@H](NC(=O)COc1ccccc1)C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000023774283 204813600 /nfs/dbraw/zinc/81/36/00/204813600.db2.gz YWOMOPIGDCEIDE-JXFKEZNVSA-N 1 2 392.459 2.209 50 0 GEAALO C[C@@H](CNS(=O)(=O)c1ccc(F)cc1)[NH+]1CCN(c2ccccc2)CC1 ZINC000032440570 204912336 /nfs/dbraw/zinc/91/23/36/204912336.db2.gz UFOZABOOFQQMQN-INIZCTEOSA-N 1 2 377.485 2.315 50 0 GEAALO COc1cccc(OC)c1OCc1nc(C(=O)N2CC[NH+](C)CC2)cs1 ZINC000036084723 205003996 /nfs/dbraw/zinc/00/39/96/205003996.db2.gz PZHPILUJESTDEX-UHFFFAOYSA-N 1 2 377.466 2.127 50 0 GEAALO CC[N@@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C[C@H](O)COC(C)C ZINC000036160868 205007477 /nfs/dbraw/zinc/00/74/77/205007477.db2.gz UQVWOPMQDQKMOL-ZDUSSCGKSA-N 1 2 379.526 2.471 50 0 GEAALO CC[N@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C[C@H](O)COC(C)C ZINC000036160868 205007478 /nfs/dbraw/zinc/00/74/78/205007478.db2.gz UQVWOPMQDQKMOL-ZDUSSCGKSA-N 1 2 379.526 2.471 50 0 GEAALO O=C(c1c(F)cccc1Cl)N1CCN(c2ccc(-n3cc[nH+]c3)nn2)CC1 ZINC000070641045 205023674 /nfs/dbraw/zinc/02/36/74/205023674.db2.gz KFABTLONCIFATD-UHFFFAOYSA-N 1 2 386.818 2.417 50 0 GEAALO Cn1nc(C2CC[NH+](CC(=O)Nc3cc(F)ccc3F)CC2)n(C2CC2)c1=O ZINC000077154484 205033933 /nfs/dbraw/zinc/03/39/33/205033933.db2.gz IEHIUTBDXJPLFP-UHFFFAOYSA-N 1 2 391.422 2.013 50 0 GEAALO O=S(=O)(c1cccs1)N1CCN(c2cc(N3CCCCC3)[nH+]cn2)CC1 ZINC000038530897 205036710 /nfs/dbraw/zinc/03/67/10/205036710.db2.gz ZQYIDSVMXYJRKI-UHFFFAOYSA-N 1 2 393.538 2.039 50 0 GEAALO O=S(=O)(c1cccs1)N1CCN(c2cc(N3CCCCC3)nc[nH+]2)CC1 ZINC000038530897 205036712 /nfs/dbraw/zinc/03/67/12/205036712.db2.gz ZQYIDSVMXYJRKI-UHFFFAOYSA-N 1 2 393.538 2.039 50 0 GEAALO COc1ccccc1C(=O)N1CCN(c2cc(N3CCCCC3)[nH+]cn2)CC1 ZINC000038528468 205036906 /nfs/dbraw/zinc/03/69/06/205036906.db2.gz AGDZXRYCRCTKDT-UHFFFAOYSA-N 1 2 381.480 2.438 50 0 GEAALO COc1ccccc1C(=O)N1CCN(c2cc(N3CCCCC3)nc[nH+]2)CC1 ZINC000038528468 205036909 /nfs/dbraw/zinc/03/69/09/205036909.db2.gz AGDZXRYCRCTKDT-UHFFFAOYSA-N 1 2 381.480 2.438 50 0 GEAALO O=C([C@@H]1CCCN(C(=O)N2CCCC2)C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000042385930 205079332 /nfs/dbraw/zinc/07/93/32/205079332.db2.gz IMZQNMKLNORZMI-GOSISDBHSA-N 1 2 390.553 2.320 50 0 GEAALO CC(C)C(=O)NCCNC(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000043312785 205083114 /nfs/dbraw/zinc/08/31/14/205083114.db2.gz CTDLGWJVRWEPQP-HOTGVXAUSA-N 1 2 376.501 2.190 50 0 GEAALO COc1ccc(-n2cc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)nn2)cc1 ZINC000044167839 205084680 /nfs/dbraw/zinc/08/46/80/205084680.db2.gz ODJCAXPDADHLHS-UHFFFAOYSA-N 1 2 377.448 2.234 50 0 GEAALO C[C@H]1C(=O)N(C)CC[N@H+]1Cc1ccc(-c2nc(-c3ccncc3)cc(=O)[nH]2)cc1 ZINC000048155871 205114427 /nfs/dbraw/zinc/11/44/27/205114427.db2.gz NJPGXYRUQSSVAG-HNNXBMFYSA-N 1 2 389.459 2.161 50 0 GEAALO C[C@H]1C(=O)N(C)CC[N@@H+]1Cc1ccc(-c2nc(-c3ccncc3)cc(=O)[nH]2)cc1 ZINC000048155871 205114429 /nfs/dbraw/zinc/11/44/29/205114429.db2.gz NJPGXYRUQSSVAG-HNNXBMFYSA-N 1 2 389.459 2.161 50 0 GEAALO CC(C)[C@@H](C(=O)NCC(=O)Nc1ccc(F)c(F)c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000048300812 205118093 /nfs/dbraw/zinc/11/80/93/205118093.db2.gz AUKJYJCEDXWWQN-JCGVRSQUSA-N 1 2 383.439 2.153 50 0 GEAALO CC(C)[C@@H](C(=O)NCC(=O)Nc1ccc(F)c(F)c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000048300812 205118096 /nfs/dbraw/zinc/11/80/96/205118096.db2.gz AUKJYJCEDXWWQN-JCGVRSQUSA-N 1 2 383.439 2.153 50 0 GEAALO Cc1ccc(OCC(=O)N2CCC[N@H+](CC(=O)NC(C)(C)C)CC2)cc1C ZINC000048331537 205120150 /nfs/dbraw/zinc/12/01/50/205120150.db2.gz ZHLTVNXAJQNAMH-UHFFFAOYSA-N 1 2 375.513 2.131 50 0 GEAALO Cc1ccc(OCC(=O)N2CCC[N@@H+](CC(=O)NC(C)(C)C)CC2)cc1C ZINC000048331537 205120152 /nfs/dbraw/zinc/12/01/52/205120152.db2.gz ZHLTVNXAJQNAMH-UHFFFAOYSA-N 1 2 375.513 2.131 50 0 GEAALO CCCn1c2nc(C(C)C)nc(SCc3[nH+]ccn3C)c2c(=O)n(C)c1=O ZINC000048355489 205121512 /nfs/dbraw/zinc/12/15/12/205121512.db2.gz IXJZBYDPWJVLLU-UHFFFAOYSA-N 1 2 388.497 2.049 50 0 GEAALO COCCn1nc(C(=O)Nc2ccc3c(c2)[nH+]c2n3CCCCC2)ccc1=O ZINC000049574933 205129073 /nfs/dbraw/zinc/12/90/73/205129073.db2.gz DDZLFLMQNZUGKG-UHFFFAOYSA-N 1 2 381.436 2.218 50 0 GEAALO COC(=O)C1C(C[NH+]2CCSCC2)=NC(=O)N[C@@H]1c1cccc(Cl)c1 ZINC000057415054 205156323 /nfs/dbraw/zinc/15/63/23/205156323.db2.gz PEQABFUUVMVKDA-OAHLLOKOSA-N 1 2 381.885 2.170 50 0 GEAALO COc1c(C)c[nH+]c(CN(C)C(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1C ZINC000058132759 205163572 /nfs/dbraw/zinc/16/35/72/205163572.db2.gz ZOJVCWKZAJAIPN-UHFFFAOYSA-N 1 2 391.493 2.230 50 0 GEAALO CCN(CC)c1[nH+]cnc2c1cnn2CC(=O)NCc1ccc(OC)c(OC)c1 ZINC000065295989 205228033 /nfs/dbraw/zinc/22/80/33/205228033.db2.gz RFLCJEXEHBRGNW-UHFFFAOYSA-N 1 2 398.467 2.006 50 0 GEAALO CCN(CC)c1[nH+]cnc2c1cnn2CC(=O)NCc1ccc(OC)cc1OC ZINC000065295991 205228316 /nfs/dbraw/zinc/22/83/16/205228316.db2.gz ADNONTIZVKAXTL-UHFFFAOYSA-N 1 2 398.467 2.006 50 0 GEAALO Cc1nc(-n2cccn2)cc(N2CCN(C(=O)c3c(F)cccc3F)CC2)[nH+]1 ZINC000067603985 205250891 /nfs/dbraw/zinc/25/08/91/205250891.db2.gz QQZMPAGHGIEIMY-UHFFFAOYSA-N 1 2 384.390 2.211 50 0 GEAALO Cc1nc(C)c(C(=O)N2CCN(c3cc(-n4cccn4)nc(C)[nH+]3)CC2)s1 ZINC000067613918 205250928 /nfs/dbraw/zinc/25/09/28/205250928.db2.gz MGAWCLJXZUMBPN-UHFFFAOYSA-N 1 2 383.481 2.006 50 0 GEAALO CCc1noc(C[N@H+](C)C[C@@]2(O)CCCN(CCC3CCCCC3)C2=O)n1 ZINC000067755756 205259235 /nfs/dbraw/zinc/25/92/35/205259235.db2.gz ZJAFVGCXQHAFIK-FQEVSTJZSA-N 1 2 378.517 2.388 50 0 GEAALO CCc1noc(C[N@@H+](C)C[C@@]2(O)CCCN(CCC3CCCCC3)C2=O)n1 ZINC000067755756 205259240 /nfs/dbraw/zinc/25/92/40/205259240.db2.gz ZJAFVGCXQHAFIK-FQEVSTJZSA-N 1 2 378.517 2.388 50 0 GEAALO CCn1ncnc1C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)COc1ccccc1)C2 ZINC000067817357 205262159 /nfs/dbraw/zinc/26/21/59/205262159.db2.gz UJMJJFAZEIISDS-OAQYLSRUSA-N 1 2 383.496 2.192 50 0 GEAALO CCn1ncnc1C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)COc1ccccc1)C2 ZINC000067817357 205262165 /nfs/dbraw/zinc/26/21/65/205262165.db2.gz UJMJJFAZEIISDS-OAQYLSRUSA-N 1 2 383.496 2.192 50 0 GEAALO COc1ccccc1N1CCN(c2[nH+]cccc2CNC(=O)[C@H](O)C(C)C)CC1 ZINC000067967664 205270989 /nfs/dbraw/zinc/27/09/89/205270989.db2.gz ATSIDFBCWOSCQU-HXUWFJFHSA-N 1 2 398.507 2.050 50 0 GEAALO COC(=O)N=c1[nH]c2c(s1)C[N@H+](CC(=O)NCc1ccc(F)cc1)CC2 ZINC000090582560 205273536 /nfs/dbraw/zinc/27/35/36/205273536.db2.gz WNWWOQMTNRGFIV-UHFFFAOYSA-N 1 2 378.429 2.135 50 0 GEAALO COC(=O)N=c1[nH]c2c(s1)C[N@@H+](CC(=O)NCc1ccc(F)cc1)CC2 ZINC000090582560 205273539 /nfs/dbraw/zinc/27/35/39/205273539.db2.gz WNWWOQMTNRGFIV-UHFFFAOYSA-N 1 2 378.429 2.135 50 0 GEAALO O=C(C[N@H+]1CCC[C@@H](O)C1)N1CCC(c2[nH]ncc2Cc2ccccc2)CC1 ZINC000067432447 205246634 /nfs/dbraw/zinc/24/66/34/205246634.db2.gz LNYPFGXAIZHFOO-HXUWFJFHSA-N 1 2 382.508 2.163 50 0 GEAALO O=C(C[N@@H+]1CCC[C@@H](O)C1)N1CCC(c2[nH]ncc2Cc2ccccc2)CC1 ZINC000067432447 205246639 /nfs/dbraw/zinc/24/66/39/205246639.db2.gz LNYPFGXAIZHFOO-HXUWFJFHSA-N 1 2 382.508 2.163 50 0 GEAALO O=C(NCc1ccc[nH+]c1N1CCC[C@H](O)C1)c1ccccc1-c1ncc[nH]1 ZINC000071419422 205283742 /nfs/dbraw/zinc/28/37/42/205283742.db2.gz QDAGBIMBXBKKMN-INIZCTEOSA-N 1 2 377.448 2.363 50 0 GEAALO CCc1[nH+]c2ccccc2n1CCC(=O)N1CCc2c(ncnc2N(C)C)C1 ZINC000071759151 205292574 /nfs/dbraw/zinc/29/25/74/205292574.db2.gz XYXVFDZTMMCMTJ-UHFFFAOYSA-N 1 2 378.480 2.430 50 0 GEAALO O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)c1ccnc(Cl)c1 ZINC000069948027 205276355 /nfs/dbraw/zinc/27/63/55/205276355.db2.gz LRAOTCNTFMSOQE-UHFFFAOYSA-N 1 2 375.856 2.376 50 0 GEAALO CCn1cnc(S(=O)(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)c1 ZINC000072310246 205323274 /nfs/dbraw/zinc/32/32/74/205323274.db2.gz IHZMHNJAUVCHMZ-UHFFFAOYSA-N 1 2 384.452 2.124 50 0 GEAALO Cc1cccnc1C[NH+]1CCN(C(=O)CCN2Cc3ccccc3C2=O)CC1 ZINC000072433479 205351471 /nfs/dbraw/zinc/35/14/71/205351471.db2.gz GVOJSRLETIDPDQ-UHFFFAOYSA-N 1 2 378.476 2.080 50 0 GEAALO CNC(=O)CC[N@@H+]1C[C@@H]2C[C@H]1C(=O)N2c1cc(-c2ccccc2)ccc1OC ZINC000077320221 205359568 /nfs/dbraw/zinc/35/95/68/205359568.db2.gz CCPFNKWBJDEXHF-HKUYNNGSSA-N 1 2 379.460 2.288 50 0 GEAALO CNC(=O)CC[N@H+]1C[C@@H]2C[C@H]1C(=O)N2c1cc(-c2ccccc2)ccc1OC ZINC000077320221 205359574 /nfs/dbraw/zinc/35/95/74/205359574.db2.gz CCPFNKWBJDEXHF-HKUYNNGSSA-N 1 2 379.460 2.288 50 0 GEAALO COc1cc(F)c(C(=O)N2CCC(c3nnc(C[NH+](C)C)n3C)CC2)c(F)c1 ZINC000077378731 205361477 /nfs/dbraw/zinc/36/14/77/205361477.db2.gz REJGFWINHKVHFO-UHFFFAOYSA-N 1 2 393.438 2.183 50 0 GEAALO COC(=O)c1ccc(-c2[nH+]ccn2C[C@@H]2CCCN(S(C)(=O)=O)C2)cc1 ZINC000077506176 205363500 /nfs/dbraw/zinc/36/35/00/205363500.db2.gz QJOMCZPYHUIBIQ-AWEZNQCLSA-N 1 2 377.466 2.008 50 0 GEAALO Cc1nc(NC(=O)COc2coc(C[NH+]3CCSCC3)cc2=O)sc1C ZINC000072400759 205344233 /nfs/dbraw/zinc/34/42/33/205344233.db2.gz WIJPXAYEVXXKOQ-UHFFFAOYSA-N 1 2 395.506 2.279 50 0 GEAALO Cc1cc(NC(=O)C[N@@H+]2CCSC[C@H]2CCO)n(-c2ccc(F)cc2)n1 ZINC000079075132 205381487 /nfs/dbraw/zinc/38/14/87/205381487.db2.gz XCLVMKQWJXINPX-MRXNPFEDSA-N 1 2 378.473 2.058 50 0 GEAALO Cc1cc(NC(=O)C[N@H+]2CCSC[C@H]2CCO)n(-c2ccc(F)cc2)n1 ZINC000079075132 205381492 /nfs/dbraw/zinc/38/14/92/205381492.db2.gz XCLVMKQWJXINPX-MRXNPFEDSA-N 1 2 378.473 2.058 50 0 GEAALO Cn1cccc1C(=O)C(=O)N1CCC(c2[nH+]ccn2Cc2cccnc2)CC1 ZINC000095504009 205474554 /nfs/dbraw/zinc/47/45/54/205474554.db2.gz RVNBBDJJINVNMI-UHFFFAOYSA-N 1 2 377.448 2.254 50 0 GEAALO COc1ccc(Cl)cc1C(=O)N1CCC[C@@H](c2[nH+]ccn2CC(N)=O)C1 ZINC000095510674 205482554 /nfs/dbraw/zinc/48/25/54/205482554.db2.gz YUDXMWAZVRINNH-GFCCVEGCSA-N 1 2 376.844 2.050 50 0 GEAALO Cc1cc(=O)n(CC(=O)N2CCC[C@H](c3[nH+]ccn3CC3CCC3)C2)nc1C ZINC000095516850 205483253 /nfs/dbraw/zinc/48/32/53/205483253.db2.gz VVGGLXYPRCOFMH-SFHVURJKSA-N 1 2 383.496 2.263 50 0 GEAALO COc1cccc(OC[C@H]2C[N@H+](C[C@H](O)COCc3ccccc3)CCO2)c1 ZINC000096280493 205555859 /nfs/dbraw/zinc/55/58/59/205555859.db2.gz PPCQSLRROUGQPQ-SIKLNZKXSA-N 1 2 387.476 2.353 50 0 GEAALO COc1cccc(OC[C@H]2C[N@@H+](C[C@H](O)COCc3ccccc3)CCO2)c1 ZINC000096280493 205555863 /nfs/dbraw/zinc/55/58/63/205555863.db2.gz PPCQSLRROUGQPQ-SIKLNZKXSA-N 1 2 387.476 2.353 50 0 GEAALO O=C(NCC[NH+]1CCN(C(=O)NCc2cccs2)CC1)c1ccsc1 ZINC000042383322 205651071 /nfs/dbraw/zinc/65/10/71/205651071.db2.gz QWRDWPJTVWSIKE-UHFFFAOYSA-N 1 2 378.523 2.067 50 0 GEAALO CCOC(=O)c1c(C)[nH]c(C(=O)C(=O)N2CC[NH+](C)CC2)c1-c1ccccc1 ZINC000022998032 205966917 /nfs/dbraw/zinc/96/69/17/205966917.db2.gz RVQLGEBDHYTSEX-UHFFFAOYSA-N 1 2 383.448 2.124 50 0 GEAALO O=C(CC[NH+]1CCN(C(=O)c2ccco2)CC1)NCc1ccccc1Cl ZINC000030146686 206071418 /nfs/dbraw/zinc/07/14/18/206071418.db2.gz FSIWAASMKPZQJZ-UHFFFAOYSA-N 1 2 375.856 2.397 50 0 GEAALO COC(=O)c1ccc(NC(=O)C(=O)NC[C@H](c2ccsc2)[NH+]2CCC2)cc1 ZINC000225595266 206059957 /nfs/dbraw/zinc/05/99/57/206059957.db2.gz HUCAKBWPBIPFDG-MRXNPFEDSA-N 1 2 387.461 2.036 50 0 GEAALO COCC(=O)Nc1ccc(NC(=O)[C@H](C(C)C)[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000058203408 206100334 /nfs/dbraw/zinc/10/03/34/206100334.db2.gz JNHAMSUQFVTHTO-CLCXKQKWSA-N 1 2 377.485 2.344 50 0 GEAALO COc1ccc(C(=O)N/C(=C/c2ccco2)C(=O)NCCCn2cc[nH+]c2)cc1 ZINC000033909715 206101239 /nfs/dbraw/zinc/10/12/39/206101239.db2.gz BYYVYSBXXMEQDK-XMHGGMMESA-N 1 2 394.431 2.462 50 0 GEAALO COc1cccc(N2C[C@H](C(=O)N3CCC(Cn4cc[nH+]c4)CC3)CC2=O)c1 ZINC000062017541 206104639 /nfs/dbraw/zinc/10/46/39/206104639.db2.gz OQUHGHSAZUFXMA-QGZVFWFLSA-N 1 2 382.464 2.183 50 0 GEAALO Cn1cc[nH+]c1[C@@H](NC(=O)CNC(=O)c1ccccc1F)c1ccccc1F ZINC000032842338 206092103 /nfs/dbraw/zinc/09/21/03/206092103.db2.gz SYNCMRKXKJFTBA-SFHVURJKSA-N 1 2 384.386 2.334 50 0 GEAALO Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)C[NH2+][C@@H](C)c1nnnn1C ZINC000240551638 206126631 /nfs/dbraw/zinc/12/66/31/206126631.db2.gz GVBKMRQXWCMPQE-AWEZNQCLSA-N 1 2 393.451 2.060 50 0 GEAALO Cc1cc(N2CCN(c3nc(C(F)(F)F)nc4[nH]cnc43)CC2)nc(C)[nH+]1 ZINC000242324379 206129884 /nfs/dbraw/zinc/12/98/84/206129884.db2.gz ZATUKWVNTISNQB-UHFFFAOYSA-N 1 2 378.362 2.105 50 0 GEAALO COc1cncc([C@H](NC(=O)Cc2ccc3[nH]c(C)[nH+]c3c2)[C@H]2C[C@@H](O)C2)c1 ZINC000244724554 206131942 /nfs/dbraw/zinc/13/19/42/206131942.db2.gz MWGMHXDOVPBSJK-IVZHQMGZSA-N 1 2 380.448 2.446 50 0 GEAALO COc1cncc([C@H](NC(=O)Cc2ccc3[nH+]c(C)[nH]c3c2)[C@H]2C[C@@H](O)C2)c1 ZINC000244724554 206131947 /nfs/dbraw/zinc/13/19/47/206131947.db2.gz MWGMHXDOVPBSJK-IVZHQMGZSA-N 1 2 380.448 2.446 50 0 GEAALO NC(=O)c1ccccc1NCc1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000253430829 206147966 /nfs/dbraw/zinc/14/79/66/206147966.db2.gz OKOLDBKBLATZQH-UHFFFAOYSA-N 1 2 393.447 2.280 50 0 GEAALO CC(C)c1c(C(=O)N2CC[NH+](C)CC2)cnn1-c1nccc(-c2ccco2)n1 ZINC000299777857 206188612 /nfs/dbraw/zinc/18/86/12/206188612.db2.gz RCQNBCFGCNMBRT-UHFFFAOYSA-N 1 2 380.452 2.433 50 0 GEAALO COc1cccc(C[N@@H+]2CC[C@@H]([NH+]3CCOCC3)[C@@H](CCC(=O)[O-])C2)c1OC ZINC000299798082 206191576 /nfs/dbraw/zinc/19/15/76/206191576.db2.gz PCLGGCMCPZXREU-FUHWJXTLSA-N 1 2 392.496 2.091 50 0 GEAALO COc1cccc(C[N@H+]2CC[C@@H]([NH+]3CCOCC3)[C@@H](CCC(=O)[O-])C2)c1OC ZINC000299798082 206191579 /nfs/dbraw/zinc/19/15/79/206191579.db2.gz PCLGGCMCPZXREU-FUHWJXTLSA-N 1 2 392.496 2.091 50 0 GEAALO Cc1ccc2[nH]c(CCC(=O)N3CC[C@H]4OCc5cnnn5[C@H]4C3)[nH+]c2c1C ZINC000299791177 206191718 /nfs/dbraw/zinc/19/17/18/206191718.db2.gz DJSNCEKRRJUYSP-DLBZAZTESA-N 1 2 380.452 2.076 50 0 GEAALO Nc1cc(C(=O)NCCCn2cc[nH+]c2)cc(S(=O)(=O)Nc2ccccc2)c1 ZINC000299800408 206193512 /nfs/dbraw/zinc/19/35/12/206193512.db2.gz VKAVUNHEFXOWNW-UHFFFAOYSA-N 1 2 399.476 2.086 50 0 GEAALO CC(=O)N1CCN(C(=O)Cn2c3ccccc3[nH+]c2NCc2ccccc2)CC1 ZINC000007987831 221020008 /nfs/dbraw/zinc/02/00/08/221020008.db2.gz GOBZQPDYCAEJPX-UHFFFAOYSA-N 1 2 391.475 2.339 50 0 GEAALO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc2c(c1)C(=O)N(C)C2=O)c1ccc(F)cc1 ZINC000014406154 221310052 /nfs/dbraw/zinc/31/00/52/221310052.db2.gz QYQDQGPLQJXAOE-QGZVFWFLSA-N 1 2 392.390 2.304 50 0 GEAALO CC(=O)N1C[C@@H](C(=O)NCc2ccccc2Cn2cc[nH+]c2)Oc2ccccc21 ZINC000040023585 132392454 /nfs/dbraw/zinc/39/24/54/132392454.db2.gz BJUMTJSCQJFWMI-NRFANRHFSA-N 1 2 390.443 2.362 50 0 GEAALO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc(N2CCOCC2)nc1)c1ccccc1 ZINC000040033877 132392809 /nfs/dbraw/zinc/39/28/09/132392809.db2.gz DZOQAJIVFHXXFM-IBGZPJMESA-N 1 2 377.448 2.171 50 0 GEAALO CNc1snc(C)c1C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1 ZINC000058194899 136155024 /nfs/dbraw/zinc/15/50/24/136155024.db2.gz VIYSKTZZXZPGKA-VXGBXAGGSA-N 1 2 375.498 2.432 50 0 GEAALO O=C(c1c(F)cccc1Cl)N1CCN(c2cc(-n3cc[nH+]c3)ncn2)CC1 ZINC000062012568 136156188 /nfs/dbraw/zinc/15/61/88/136156188.db2.gz XYJKBCABFJOHMC-UHFFFAOYSA-N 1 2 386.818 2.417 50 0 GEAALO COc1ccc(CNC(=O)Cn2ncc3c2nc[nH+]c3N2CCC(C)CC2)cc1 ZINC000065295535 136162857 /nfs/dbraw/zinc/16/28/57/136162857.db2.gz BPZWTQIGZRPRIC-UHFFFAOYSA-N 1 2 394.479 2.388 50 0 GEAALO Cc1nc(Nc2ccc(NC(=O)c3ncccn3)cc2)cc(N2CCOCC2)[nH+]1 ZINC000072437818 136170682 /nfs/dbraw/zinc/17/06/82/136170682.db2.gz URCPXMSPWJCXGS-UHFFFAOYSA-N 1 2 391.435 2.408 50 0 GEAALO COc1ccccc1N1CCN(C(=O)Cc2c[nH+]c3c(C)cccn23)CC1=O ZINC000082107236 136173654 /nfs/dbraw/zinc/17/36/54/136173654.db2.gz YNVHZVYKWSVBFG-UHFFFAOYSA-N 1 2 378.432 2.069 50 0 GEAALO O=C(CC[C@@H]1CCCN(C(=O)c2cnco2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000095504097 136180176 /nfs/dbraw/zinc/18/01/76/136180176.db2.gz WDCOAURZPNUJQN-KRWDZBQOSA-N 1 2 397.479 2.051 50 0 GEAALO Cc1ccc(N2CN(CC[NH+]3CCOCC3)Cn3c(=O)c(C)c(C)nc32)c(C)c1 ZINC000096305503 136186144 /nfs/dbraw/zinc/18/61/44/136186144.db2.gz RXMFPZAWKDGPAX-UHFFFAOYSA-N 1 2 397.523 2.178 50 0 GEAALO CCc1[nH+]c(C)nc(N2CCN(C(=O)COC)CC2)c1Cc1cccc(OC)c1 ZINC000096317566 136186438 /nfs/dbraw/zinc/18/64/38/136186438.db2.gz NOGWJTKVRYPUHJ-UHFFFAOYSA-N 1 2 398.507 2.242 50 0 GEAALO COc1cccc(N2C(=O)C[C@@H]([NH+]3CCN(c4ccc(F)cc4)CC3)C2=O)c1 ZINC000100453728 136189136 /nfs/dbraw/zinc/18/91/36/136189136.db2.gz VLVLSVBURIHAPW-LJQANCHMSA-N 1 2 383.423 2.288 50 0 GEAALO Cc1cc2cc(C(=O)NCC[NH+]3CCN(c4ncccn4)CC3)oc2cc1C ZINC000173608189 136199577 /nfs/dbraw/zinc/19/95/77/136199577.db2.gz PPTXMSPAVMTLHG-UHFFFAOYSA-N 1 2 379.464 2.392 50 0 GEAALO CC[C@H]1c2ccsc2CC[N@H+]1CC(=O)N1C[C@@H](C(N)=O)Oc2ccccc21 ZINC000012861905 136202696 /nfs/dbraw/zinc/20/26/96/136202696.db2.gz JJZZVMOFGRIBRW-YOEHRIQHSA-N 1 2 385.489 2.337 50 0 GEAALO CC[C@H]1c2ccsc2CC[N@@H+]1CC(=O)N1C[C@@H](C(N)=O)Oc2ccccc21 ZINC000012861905 136202697 /nfs/dbraw/zinc/20/26/97/136202697.db2.gz JJZZVMOFGRIBRW-YOEHRIQHSA-N 1 2 385.489 2.337 50 0 GEAALO Cc1noc(C)c1C[N@H+]1CCc2c(C(=O)N(C)[C@H](C)CC(N)=O)csc2C1 ZINC000426368323 534361919 /nfs/dbraw/zinc/36/19/19/534361919.db2.gz QAUOTYAFQVEXND-LLVKDONJSA-N 1 2 390.509 2.247 50 0 GEAALO Cc1noc(C)c1C[N@@H+]1CCc2c(C(=O)N(C)[C@H](C)CC(N)=O)csc2C1 ZINC000426368323 534361923 /nfs/dbraw/zinc/36/19/23/534361923.db2.gz QAUOTYAFQVEXND-LLVKDONJSA-N 1 2 390.509 2.247 50 0 GEAALO CCC(=O)NCCNC(=O)c1csc2c1CC[N@H+](Cc1c(C)noc1C)C2 ZINC000426358666 528392618 /nfs/dbraw/zinc/39/26/18/528392618.db2.gz SSMWNAGJCILHSM-UHFFFAOYSA-N 1 2 390.509 2.167 50 0 GEAALO CCC(=O)NCCNC(=O)c1csc2c1CC[N@@H+](Cc1c(C)noc1C)C2 ZINC000426358666 528392622 /nfs/dbraw/zinc/39/26/22/528392622.db2.gz SSMWNAGJCILHSM-UHFFFAOYSA-N 1 2 390.509 2.167 50 0 GEAALO CC(C)n1cnnc1CCNC(=O)N(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000426633865 528633125 /nfs/dbraw/zinc/63/31/25/528633125.db2.gz JVJGVVGRXDAUSE-UHFFFAOYSA-N 1 2 381.484 2.488 50 0 GEAALO CCOc1ccccc1C(=O)N[C@@H]1CC[N@H+](Cc2csc(C)n2)C[C@H]1O ZINC000426604246 528711192 /nfs/dbraw/zinc/71/11/92/528711192.db2.gz GUBBNDUVNJYKRG-IAGOWNOFSA-N 1 2 375.494 2.215 50 0 GEAALO CCOc1ccccc1C(=O)N[C@@H]1CC[N@@H+](Cc2csc(C)n2)C[C@H]1O ZINC000426604246 528711193 /nfs/dbraw/zinc/71/11/93/528711193.db2.gz GUBBNDUVNJYKRG-IAGOWNOFSA-N 1 2 375.494 2.215 50 0 GEAALO CCc1c(C)[nH+]c(C)nc1N1CCC[C@@H](c2nnc(Cn3ccnc3)n2C)C1 ZINC000095380547 536069865 /nfs/dbraw/zinc/06/98/65/536069865.db2.gz HSPFZTVBZRSQME-MRXNPFEDSA-N 1 2 380.500 2.413 50 0 GEAALO CCc1cc(C(=O)N2CCC(c3nnc(C[NH+]4CCCC4)n3CC)CC2)[nH]n1 ZINC000096152830 570215730 /nfs/dbraw/zinc/21/57/30/570215730.db2.gz WDWHYTAEUVPZTC-UHFFFAOYSA-N 1 2 385.516 2.199 50 0 GEAALO CCc1cc(C(=O)N2CCC(c3nnc(C[NH+]4CCCC4)n3CC)CC2)n[nH]1 ZINC000096152830 570215733 /nfs/dbraw/zinc/21/57/33/570215733.db2.gz WDWHYTAEUVPZTC-UHFFFAOYSA-N 1 2 385.516 2.199 50 0 GEAALO Cn1cc(C(=O)N2CCC(c3nnc(C[NH+](C)C)n3C)CC2)c2ccccc21 ZINC000096163949 570217270 /nfs/dbraw/zinc/21/72/70/570217270.db2.gz WIMPDFKVZFJOCJ-UHFFFAOYSA-N 1 2 380.496 2.388 50 0 GEAALO C[N@H+](CC(=O)NC[C@H]1COc2ccccc2O1)Cc1cnn(-c2ccccc2)c1 ZINC000012808056 570222102 /nfs/dbraw/zinc/22/21/02/570222102.db2.gz MDHQBNKQYRZYCK-IBGZPJMESA-N 1 2 392.459 2.260 50 0 GEAALO C[N@@H+](CC(=O)NC[C@H]1COc2ccccc2O1)Cc1cnn(-c2ccccc2)c1 ZINC000012808056 570222106 /nfs/dbraw/zinc/22/21/06/570222106.db2.gz MDHQBNKQYRZYCK-IBGZPJMESA-N 1 2 392.459 2.260 50 0 GEAALO COC(=O)c1ccc2c(c1)nc(C[N@H+](C)C[C@@H]1COc3ccccc3O1)[nH]c2=O ZINC000012818057 570231571 /nfs/dbraw/zinc/23/15/71/570231571.db2.gz VELWKFYIRAAURN-CQSZACIVSA-N 1 2 395.415 2.394 50 0 GEAALO COC(=O)c1ccc2c(c1)nc(C[N@@H+](C)C[C@@H]1COc3ccccc3O1)[nH]c2=O ZINC000012818057 570231576 /nfs/dbraw/zinc/23/15/76/570231576.db2.gz VELWKFYIRAAURN-CQSZACIVSA-N 1 2 395.415 2.394 50 0 GEAALO O=C(NCc1ccc[nH+]c1N1CCOCC1)Nc1cccc(-c2nnco2)c1 ZINC000044085784 570236379 /nfs/dbraw/zinc/23/63/79/570236379.db2.gz NLLMNCHCURMEOU-UHFFFAOYSA-N 1 2 380.408 2.290 50 0 GEAALO CCCNC(=O)c1cccc(S(=O)(=O)N[C@@H](c2[nH+]ccn2C)C(C)C)c1 ZINC000097346709 570242401 /nfs/dbraw/zinc/24/24/01/570242401.db2.gz ISBBLWVJYWWDSI-MRXNPFEDSA-N 1 2 378.498 2.236 50 0 GEAALO CCCNC(=O)c1cccc(S(=O)(=O)N[C@H](c2[nH+]ccn2C)C(C)C)c1 ZINC000097346711 570242733 /nfs/dbraw/zinc/24/27/33/570242733.db2.gz ISBBLWVJYWWDSI-INIZCTEOSA-N 1 2 378.498 2.236 50 0 GEAALO CC(=O)NC[C@@H]1CCC2(CCN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)CC2)O1 ZINC000097546453 570245746 /nfs/dbraw/zinc/24/57/46/570245746.db2.gz CLGLCEUAADBFBS-IBGZPJMESA-N 1 2 382.464 2.162 50 0 GEAALO CC(NCC[NH+]1CCCCC1)=C1C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000020267687 570250619 /nfs/dbraw/zinc/25/06/19/570250619.db2.gz ZIAPJOFBLGZJFN-DTQAZKPQSA-N 1 2 390.871 2.272 50 0 GEAALO C=C1c2ccccc2C(=O)N1CC(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000012824299 570254130 /nfs/dbraw/zinc/25/41/30/570254130.db2.gz ROWSNGJKNDZXFF-OAQYLSRUSA-N 1 2 391.471 2.303 50 0 GEAALO O=C(c1ccc(Cl)cc1)N1CC[NH+](Cc2cc(=O)n3ccccc3n2)CC1 ZINC000015787095 570254296 /nfs/dbraw/zinc/25/42/96/570254296.db2.gz MSPBJPNVLBCRME-UHFFFAOYSA-N 1 2 382.851 2.306 50 0 GEAALO Cc1ccc(C(=O)C[C@@]2(O)c3ccccc3N(CN3CC[NH+](C)CC3)C2=O)cc1 ZINC000020414327 570254779 /nfs/dbraw/zinc/25/47/79/570254779.db2.gz XJVVHIGEKBTSJV-HSZRJFAPSA-N 1 2 393.487 2.007 50 0 GEAALO Cc1noc(/C=C/[NH+](C)C)c1S(=O)(=O)N1CCN(c2ccccc2F)CC1 ZINC000049539860 570268375 /nfs/dbraw/zinc/26/83/75/570268375.db2.gz BAJIZTVPVMWULR-CMDGGOBGSA-N 1 2 394.472 2.165 50 0 GEAALO CN(CC[NH+]1CCOCC1)C(=O)NC[C@H]1CCN(c2cccc(Cl)c2)C1 ZINC000584902662 570272146 /nfs/dbraw/zinc/27/21/46/570272146.db2.gz QPQVWRDPASMCOM-MRXNPFEDSA-N 1 2 380.920 2.140 50 0 GEAALO Cc1nc(-c2cccc(C(=O)N3CC[NH+](Cc4ccccn4)CC3)c2)n(C)n1 ZINC000584903444 570272340 /nfs/dbraw/zinc/27/23/40/570272340.db2.gz HMQBWCUISSGJGR-UHFFFAOYSA-N 1 2 376.464 2.144 50 0 GEAALO Cn1cc[nH+]c1[C@@H](NS(=O)(=O)c1cccc(C(=O)N2CCCC2)c1)C1CC1 ZINC000215438803 570289068 /nfs/dbraw/zinc/28/90/68/570289068.db2.gz HSSJZACAGACKBI-KRWDZBQOSA-N 1 2 388.493 2.086 50 0 GEAALO NC(=O)[C@H]1Cc2ccccc2CN1Cc1ccc(OCCn2cc[nH+]c2)cc1 ZINC000215961806 570294005 /nfs/dbraw/zinc/29/40/05/570294005.db2.gz ARQBFFBUHZOEKJ-OAQYLSRUSA-N 1 2 376.460 2.374 50 0 GEAALO O=C(CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1)Nc1cc(F)ccc1F ZINC000021847615 570297753 /nfs/dbraw/zinc/29/77/53/570297753.db2.gz WFHFTIDZLMITBG-UHFFFAOYSA-N 1 2 389.402 2.450 50 0 GEAALO CCOC(=O)C1CCN(C(=O)C[NH+]2CCN(c3ccc(Cl)cc3)CC2)CC1 ZINC000034685337 570301875 /nfs/dbraw/zinc/30/18/75/570301875.db2.gz IZHPLIOLKVBMBK-UHFFFAOYSA-N 1 2 393.915 2.264 50 0 GEAALO CNC(=O)[C@@H]1C[C@@H](NCc2c(F)cccc2F)C[N@@H+]1C1Cc2ccccc2C1 ZINC000023338105 570321317 /nfs/dbraw/zinc/32/13/17/570321317.db2.gz AEGUVVRRGWTCAD-IERDGZPVSA-N 1 2 385.458 2.411 50 0 GEAALO CNC(=O)[C@@H]1C[C@@H](NCc2c(F)cccc2F)C[N@H+]1C1Cc2ccccc2C1 ZINC000023338105 570321319 /nfs/dbraw/zinc/32/13/19/570321319.db2.gz AEGUVVRRGWTCAD-IERDGZPVSA-N 1 2 385.458 2.411 50 0 GEAALO O=C(NC1CC[NH+]([C@H]2CCS(=O)(=O)C2)CC1)c1cc(Cl)sc1Cl ZINC000575609306 570332379 /nfs/dbraw/zinc/33/23/79/570332379.db2.gz VIMQCOZEVLANAW-JTQLQIEISA-N 1 2 397.349 2.436 50 0 GEAALO Cc1ccc(NC(=O)N2CCc3[nH+]c(N4CCOCC4)nc(N(C)C)c3C2)cc1 ZINC000034756596 570332692 /nfs/dbraw/zinc/33/26/92/570332692.db2.gz OIOQTNFPZJBLDO-UHFFFAOYSA-N 1 2 396.495 2.278 50 0 GEAALO C[C@@H](C(=O)Nc1ccc(Cl)cc1F)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000022912833 570333620 /nfs/dbraw/zinc/33/36/20/570333620.db2.gz VCXSELRXQHZTJM-AWEZNQCLSA-N 1 2 396.894 2.046 50 0 GEAALO C[C@@H](C(=O)N1CCCCC1)[NH+]1CCN(CC(=O)Nc2ccccc2Cl)CC1 ZINC000022915974 570335065 /nfs/dbraw/zinc/33/50/65/570335065.db2.gz GEPMXAALAVOLSL-INIZCTEOSA-N 1 2 392.931 2.297 50 0 GEAALO CC(=O)c1ccc(-c2ccc3nc(C(=O)NCC[NH+]4CCOCC4)cn3c2)cc1 ZINC000034831101 570335062 /nfs/dbraw/zinc/33/50/62/570335062.db2.gz ALLHWSKPMFHKRB-UHFFFAOYSA-N 1 2 392.459 2.266 50 0 GEAALO Cc1ccc(NC(=O)[C@H](C)N2CC[NH+](CC(=O)N3CCCCC3)CC2)cc1F ZINC000022931526 570336958 /nfs/dbraw/zinc/33/69/58/570336958.db2.gz PBSMFEVWEXULAU-KRWDZBQOSA-N 1 2 390.503 2.091 50 0 GEAALO Cc1cccc2c(C(=O)N(C)CC[NH+]3CCOCC3)cc(-c3cnn(C)c3)nc12 ZINC000023543560 570365156 /nfs/dbraw/zinc/36/51/56/570365156.db2.gz QODFGKNJUBLUJG-UHFFFAOYSA-N 1 2 393.491 2.348 50 0 GEAALO O=C(CCS(=O)(=O)c1ccccc1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000023652933 570368275 /nfs/dbraw/zinc/36/82/75/570368275.db2.gz QRACMFJFYJUDIV-UHFFFAOYSA-N 1 2 394.537 2.002 50 0 GEAALO Cn1c(SCC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)nnc1C1CC1 ZINC000023731414 570370363 /nfs/dbraw/zinc/37/03/63/570370363.db2.gz WBEMYNJDWAMJOJ-UHFFFAOYSA-N 1 2 387.509 2.256 50 0 GEAALO COc1cc(OC)cc([C@H](NC(=O)Cc2c(C)noc2C)c2[nH+]ccn2C)c1 ZINC000024023124 570377319 /nfs/dbraw/zinc/37/73/19/570377319.db2.gz KKYIVCCQTFTZEE-IBGZPJMESA-N 1 2 384.436 2.490 50 0 GEAALO C[C@H](NC(=O)CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000241231270 570431553 /nfs/dbraw/zinc/43/15/53/570431553.db2.gz KTLMLQTZESHIHV-KFKAGJAMSA-N 1 2 392.459 2.391 50 0 GEAALO Cc1c[nH]c(CN(C)C(=O)c2ccc3c(c2)[nH]c(=O)n3[C@H]2CC[C@H](O)CC2)[nH+]1 ZINC000248095578 570440905 /nfs/dbraw/zinc/44/09/05/570440905.db2.gz GNCXFJZLAWDVFZ-SHTZXODSSA-N 1 2 383.452 2.109 50 0 GEAALO C[C@H](C(=O)N1CCCCCC1)[NH+]1CCN(CC(=O)Nc2cccc(F)c2)CC1 ZINC000089420138 570452453 /nfs/dbraw/zinc/45/24/53/570452453.db2.gz XYGBTEZLAQWKSH-QGZVFWFLSA-N 1 2 390.503 2.173 50 0 GEAALO O=C(c1ccc(=O)[nH]n1)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000030126809 570486306 /nfs/dbraw/zinc/48/63/06/570486306.db2.gz BXJYIMIOLZZSHV-UHFFFAOYSA-N 1 2 382.342 2.039 50 0 GEAALO C[NH+]1CCN(S(=O)(=O)c2ccc(NC(=S)Nc3ccccc3)cc2)CC1 ZINC000032561942 570574278 /nfs/dbraw/zinc/57/42/78/570574278.db2.gz OKXLHFBWTUKBRG-UHFFFAOYSA-N 1 2 390.534 2.432 50 0 GEAALO CC(=O)Nc1ccc(NC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000040283020 570597567 /nfs/dbraw/zinc/59/75/67/570597567.db2.gz LQENTOXTFMMVLI-UHFFFAOYSA-N 1 2 395.463 2.108 50 0 GEAALO Cc1ccc(-n2ncc3c2nc[nH+]c3SCC(=O)N2CCOCC2)c(C)c1 ZINC000004341732 570676556 /nfs/dbraw/zinc/67/65/56/570676556.db2.gz YRXSBSKPYCEVFZ-UHFFFAOYSA-N 1 2 383.477 2.383 50 0 GEAALO COC(=O)c1cccc(NC(=O)C[NH+]2CCN(c3ccccc3OC)CC2)c1 ZINC000055558833 570696836 /nfs/dbraw/zinc/69/68/36/570696836.db2.gz CEMFZZRRYAIUIO-UHFFFAOYSA-N 1 2 383.448 2.243 50 0 GEAALO O=C(C[NH+]1CCN(c2nc(C(F)(F)F)nc3ccccc32)CC1)N1CCCC1 ZINC000012764252 570711099 /nfs/dbraw/zinc/71/10/99/570711099.db2.gz AFHMGHAGCSEFEI-UHFFFAOYSA-N 1 2 393.413 2.393 50 0 GEAALO FC(F)(F)c1nnc2ccc(NC[C@@H]3C[N@H+](Cc4ccccc4)CCO3)nn21 ZINC000012792699 570714824 /nfs/dbraw/zinc/71/48/24/570714824.db2.gz IOFHGGIDUOTARK-CQSZACIVSA-N 1 2 392.385 2.456 50 0 GEAALO FC(F)(F)c1nnc2ccc(NC[C@@H]3C[N@@H+](Cc4ccccc4)CCO3)nn21 ZINC000012792699 570714827 /nfs/dbraw/zinc/71/48/27/570714827.db2.gz IOFHGGIDUOTARK-CQSZACIVSA-N 1 2 392.385 2.456 50 0 GEAALO Cc1nn(C)c2nc(C)cc(C(=O)NCc3ccccc3C[NH+]3CCOCC3)c12 ZINC000012799958 570717512 /nfs/dbraw/zinc/71/75/12/570717512.db2.gz HBEZPACATLDHRJ-UHFFFAOYSA-N 1 2 393.491 2.347 50 0 GEAALO CC[NH+]1CCN(S(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(=O)C2CCC2)CC1 ZINC000085572205 570725021 /nfs/dbraw/zinc/72/50/21/570725021.db2.gz MWLQIGHBJNCFCZ-HNNXBMFYSA-N 1 2 391.537 2.091 50 0 GEAALO C[C@H](NC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000018048317 570798273 /nfs/dbraw/zinc/79/82/73/570798273.db2.gz POHJUTVUVRZQLJ-WBAXXEDZSA-N 1 2 380.448 2.225 50 0 GEAALO CN(C)S(=O)(=O)c1cccc(C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)c1 ZINC000018232288 570811465 /nfs/dbraw/zinc/81/14/65/570811465.db2.gz FHTPZOLTSAOQFC-IBGZPJMESA-N 1 2 387.505 2.066 50 0 GEAALO CN(C)S(=O)(=O)c1cccc(C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)c1 ZINC000018232288 570811468 /nfs/dbraw/zinc/81/14/68/570811468.db2.gz FHTPZOLTSAOQFC-IBGZPJMESA-N 1 2 387.505 2.066 50 0 GEAALO COc1ccccc1[C@H](NC(=O)NCc1cccnc1OC)c1[nH+]ccn1C ZINC000032802517 570821002 /nfs/dbraw/zinc/82/10/02/570821002.db2.gz JKTGPKBDHRFAFM-KRWDZBQOSA-N 1 2 381.436 2.421 50 0 GEAALO COc1ccc(CC(=O)N2CC[NH+](CCOc3ccc(OC)cc3)CC2)cc1 ZINC000014129315 570824324 /nfs/dbraw/zinc/82/43/24/570824324.db2.gz MSDGLGAMJCOXKW-UHFFFAOYSA-N 1 2 384.476 2.470 50 0 GEAALO COc1ccccc1N1C[C@@H](C(=O)N2CC[NH+](Cc3cccs3)CC2)CC1=O ZINC000014139684 570825146 /nfs/dbraw/zinc/82/51/46/570825146.db2.gz NNRZERYYKLSZDQ-INIZCTEOSA-N 1 2 399.516 2.454 50 0 GEAALO CN1C(=O)c2ccc(NC(=O)NCc3ccc(Cn4cc[nH+]c4)cc3)cc2C1=O ZINC000012535879 570835894 /nfs/dbraw/zinc/83/58/94/570835894.db2.gz LDSOLXUFBWJTOT-UHFFFAOYSA-N 1 2 389.415 2.479 50 0 GEAALO O=C1C[N@H+](Cc2cnc(-c3ccccc3)s2)C[C@H](O)CN1Cc1cccnc1 ZINC000014532659 570847659 /nfs/dbraw/zinc/84/76/59/570847659.db2.gz CCKZMGZPSOFION-SFHVURJKSA-N 1 2 394.500 2.410 50 0 GEAALO O=C1C[N@@H+](Cc2cnc(-c3ccccc3)s2)C[C@H](O)CN1Cc1cccnc1 ZINC000014532659 570847662 /nfs/dbraw/zinc/84/76/62/570847662.db2.gz CCKZMGZPSOFION-SFHVURJKSA-N 1 2 394.500 2.410 50 0 GEAALO COc1ccc(OC)c(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c1 ZINC000032898000 570887686 /nfs/dbraw/zinc/88/76/86/570887686.db2.gz BASANDDGHQFQGD-UHFFFAOYSA-N 1 2 384.432 2.391 50 0 GEAALO CO[C@]12CCN(C(=O)c3ccccc3-c3[nH]cc[nH+]3)[C@H]1C[C@H](NC(C)=O)CC2 ZINC000534631750 570909984 /nfs/dbraw/zinc/90/99/84/570909984.db2.gz JCWPRSCQOZKKRC-FYINFDKHSA-N 1 2 382.464 2.365 50 0 GEAALO O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000016093652 570913801 /nfs/dbraw/zinc/91/38/01/570913801.db2.gz SDHKVHHSAWRZEV-UHFFFAOYSA-N 1 2 387.383 2.491 50 0 GEAALO CCN(C(=O)c1ccc(-c2[nH+]cnc3[nH]ccc32)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000534662776 570922760 /nfs/dbraw/zinc/92/27/60/570922760.db2.gz WJLLXGYPOOUEON-HNNXBMFYSA-N 1 2 384.461 2.274 50 0 GEAALO COc1ccc([C@@H](NC(=O)Cn2c(=O)oc3ccccc32)c2[nH+]ccn2C)cc1 ZINC000016474531 570925433 /nfs/dbraw/zinc/92/54/33/570925433.db2.gz ZISSOFJOHMIXIF-LJQANCHMSA-N 1 2 392.415 2.242 50 0 GEAALO CC(C)c1ccc(S(=O)(=O)NC2CC[NH+](CC(=O)N3CCCC3)CC2)cc1 ZINC000032934632 570946793 /nfs/dbraw/zinc/94/67/93/570946793.db2.gz BJKXKDZFNGKVOT-UHFFFAOYSA-N 1 2 393.553 2.175 50 0 GEAALO O=C(NCC[NH+]1CCOCC1)c1ccc(-c2nc(-c3ccccc3)no2)cc1 ZINC000033278917 570953477 /nfs/dbraw/zinc/95/34/77/570953477.db2.gz LNWBOJXMYHCMDV-UHFFFAOYSA-N 1 2 378.432 2.466 50 0 GEAALO O=C(c1ccco1)N1CCC[C@H](N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000019217624 570962358 /nfs/dbraw/zinc/96/23/58/570962358.db2.gz BLBQAVZEDVHBEG-SFHVURJKSA-N 1 2 397.475 2.431 50 0 GEAALO COc1ccc(CNC(=O)C[NH+]2CCN(c3ccccc3F)CC2)cc1OC ZINC000054530190 570966849 /nfs/dbraw/zinc/96/68/49/570966849.db2.gz ULAJQUAYEZRJJY-UHFFFAOYSA-N 1 2 387.455 2.281 50 0 GEAALO COCC(=O)Nc1ccc(NC(=O)[C@@H](C(C)C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000109048532 570995565 /nfs/dbraw/zinc/99/55/65/570995565.db2.gz JNHAMSUQFVTHTO-ZRGWGRIASA-N 1 2 377.485 2.344 50 0 GEAALO COCC(=O)Nc1ccc(NC(=O)[C@@H](C(C)C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000109048532 570995568 /nfs/dbraw/zinc/99/55/68/570995568.db2.gz JNHAMSUQFVTHTO-ZRGWGRIASA-N 1 2 377.485 2.344 50 0 GEAALO CCc1cc(C(=O)N2CCC[C@@]3(CCC(=O)N(CCc4c[nH+]c[nH]4)C3)C2)on1 ZINC000091269636 571001724 /nfs/dbraw/zinc/00/17/24/571001724.db2.gz DWUHUWAWONBYIE-FQEVSTJZSA-N 1 2 385.468 2.048 50 0 GEAALO CCc1cc(C(=O)N2CCC[C@@]3(CCC(=O)N(CCc4c[nH]c[nH+]4)C3)C2)on1 ZINC000091269636 571001726 /nfs/dbraw/zinc/00/17/26/571001726.db2.gz DWUHUWAWONBYIE-FQEVSTJZSA-N 1 2 385.468 2.048 50 0 GEAALO CCCCOCC(=O)N1CCC[C@]2(CCC(=O)N(CCc3c[nH+]c[nH]3)C2)C1 ZINC000091288688 571002240 /nfs/dbraw/zinc/00/22/40/571002240.db2.gz FUXFVSHHOANZDU-FQEVSTJZSA-N 1 2 376.501 2.000 50 0 GEAALO CCCCOCC(=O)N1CCC[C@]2(CCC(=O)N(CCc3c[nH]c[nH+]3)C2)C1 ZINC000091288688 571002243 /nfs/dbraw/zinc/00/22/43/571002243.db2.gz FUXFVSHHOANZDU-FQEVSTJZSA-N 1 2 376.501 2.000 50 0 GEAALO O=C(CCNC(=O)c1ccccc1)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000012752634 571006190 /nfs/dbraw/zinc/00/61/90/571006190.db2.gz OKCAYZZRXMEVEF-KRWDZBQOSA-N 1 2 387.505 2.058 50 0 GEAALO CC(=O)N1CCc2[nH]c[nH+]c2C12CCN(C(=O)[C@H](C)Oc1ccccc1)CC2 ZINC000091468880 571009725 /nfs/dbraw/zinc/00/97/25/571009725.db2.gz NFAITFTXEYYPHL-HNNXBMFYSA-N 1 2 382.464 2.100 50 0 GEAALO CCc1ocnc1C(=O)N1CCC2(CCC(=O)N(CCc3c[nH+]c[nH]3)C2)CC1 ZINC000091505291 571011336 /nfs/dbraw/zinc/01/13/36/571011336.db2.gz KJAOYQCKCUFYMT-UHFFFAOYSA-N 1 2 385.468 2.048 50 0 GEAALO CCc1ocnc1C(=O)N1CCC2(CCC(=O)N(CCc3c[nH]c[nH+]3)C2)CC1 ZINC000091505291 571011337 /nfs/dbraw/zinc/01/13/37/571011337.db2.gz KJAOYQCKCUFYMT-UHFFFAOYSA-N 1 2 385.468 2.048 50 0 GEAALO CS[C@H](C)C(=O)N1CCC2(CC1)c1[nH+]c[nH]c1CCN2C(=O)C1CCC1 ZINC000091548719 571013875 /nfs/dbraw/zinc/01/38/75/571013875.db2.gz QIMJUTOHBWKIGK-CYBMUJFWSA-N 1 2 376.526 2.164 50 0 GEAALO COc1cc(C[N@@H+]2CCN(Cc3cccc(C)n3)C[C@@H]2CCO)cc(OC)c1 ZINC000019608534 571021642 /nfs/dbraw/zinc/02/16/42/571021642.db2.gz VWAQXOLNEGRISL-FQEVSTJZSA-N 1 2 385.508 2.476 50 0 GEAALO COc1cc(C[N@H+]2CCN(Cc3cccc(C)n3)C[C@@H]2CCO)cc(OC)c1 ZINC000019608534 571021645 /nfs/dbraw/zinc/02/16/45/571021645.db2.gz VWAQXOLNEGRISL-FQEVSTJZSA-N 1 2 385.508 2.476 50 0 GEAALO C[C@]1(NC(=O)C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)CCS(=O)(=O)C1 ZINC000012775079 571028194 /nfs/dbraw/zinc/02/81/94/571028194.db2.gz OXOOTRSPZNARNO-FQEVSTJZSA-N 1 2 389.521 2.041 50 0 GEAALO Cc1nc(C)c(C(=O)N2CCC[C@@H](c3nnc(Cn4cc[nH+]c4)n3C)C2)s1 ZINC000095360346 571054606 /nfs/dbraw/zinc/05/46/06/571054606.db2.gz RCIICWHTDAJTOQ-CQSZACIVSA-N 1 2 385.497 2.153 50 0 GEAALO O=C(c1ccc(Cn2cnnn2)cc1)N1CCC(c2[nH+]ccn2CC2CC2)CC1 ZINC000095360521 571055092 /nfs/dbraw/zinc/05/50/92/571055092.db2.gz NGYCCONTUYZHMJ-UHFFFAOYSA-N 1 2 391.479 2.348 50 0 GEAALO Cn1c(Cn2cc[nH+]c2)nnc1[C@H]1CCCN(C(=O)c2cncc(Cl)c2)C1 ZINC000095386362 571070207 /nfs/dbraw/zinc/07/02/07/571070207.db2.gz LJHCVUHOICEBKX-ZDUSSCGKSA-N 1 2 385.859 2.128 50 0 GEAALO Cn1c(Cn2cc[nH+]c2)nnc1[C@H]1CCCN(C(=O)CCc2cccs2)C1 ZINC000095391828 571073072 /nfs/dbraw/zinc/07/30/72/571073072.db2.gz SKJOMTYNZTUDPQ-HNNXBMFYSA-N 1 2 384.509 2.460 50 0 GEAALO COCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2cc(CC(C)C)nc(N)n2)C1 ZINC000095505759 571078462 /nfs/dbraw/zinc/07/84/62/571078462.db2.gz BWDSSQXUSATGPP-OAHLLOKOSA-N 1 2 386.500 2.120 50 0 GEAALO O=C(NCCC[N@@H+]1CCNC(=O)C1)Nc1ccc(SC(F)(F)F)cc1 ZINC000095509219 571080726 /nfs/dbraw/zinc/08/07/26/571080726.db2.gz XDYDQNAGCMTSBT-UHFFFAOYSA-N 1 2 376.404 2.242 50 0 GEAALO O=C(NCCC[N@H+]1CCNC(=O)C1)Nc1ccc(SC(F)(F)F)cc1 ZINC000095509219 571080727 /nfs/dbraw/zinc/08/07/27/571080727.db2.gz XDYDQNAGCMTSBT-UHFFFAOYSA-N 1 2 376.404 2.242 50 0 GEAALO COc1ccc(Cl)cc1C(=O)N1CCC[C@H](c2[nH+]ccn2CC(N)=O)C1 ZINC000095510673 571082211 /nfs/dbraw/zinc/08/22/11/571082211.db2.gz YUDXMWAZVRINNH-LBPRGKRZSA-N 1 2 376.844 2.050 50 0 GEAALO COCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)CCN2CCCCCC2=O)C1 ZINC000095517981 571085051 /nfs/dbraw/zinc/08/50/51/571085051.db2.gz KEMBWNSXGDYPQC-QGZVFWFLSA-N 1 2 376.501 2.028 50 0 GEAALO Cc1nn(C)c(C)c1-c1cc(C(=O)N2CCC(c3[nH+]ccn3C)CC2)n(C)n1 ZINC000095520026 571085937 /nfs/dbraw/zinc/08/59/37/571085937.db2.gz OKAAGHCSDIXWDO-UHFFFAOYSA-N 1 2 381.484 2.191 50 0 GEAALO Cn1cc(CCC(=O)N2CCC(c3[nH+]ccn3Cc3ccncc3)CC2)cn1 ZINC000095519421 571086092 /nfs/dbraw/zinc/08/60/92/571086092.db2.gz BLXRSSNKDXQMJX-UHFFFAOYSA-N 1 2 378.480 2.399 50 0 GEAALO COCCn1cc[nH+]c1C1CCN(C(=O)CSc2nnc(C)s2)CC1 ZINC000095524912 571090132 /nfs/dbraw/zinc/09/01/32/571090132.db2.gz PZAJOANYJGSSOU-UHFFFAOYSA-N 1 2 381.527 2.188 50 0 GEAALO O=C([C@H]1CCS(=O)(=O)C1)N1CCC(c2[nH+]ccn2Cc2ccccc2)CC1 ZINC000095526989 571091027 /nfs/dbraw/zinc/09/10/27/571091027.db2.gz HBBYOIDHZGEKKC-SFHVURJKSA-N 1 2 387.505 2.072 50 0 GEAALO CC(C)n1cc(C(=O)N2CCC3(CC2)c2[nH+]c[nH]c2CCN3C(=O)C2CC2)cn1 ZINC000095528514 571091935 /nfs/dbraw/zinc/09/19/35/571091935.db2.gz DPUASVBZRVJCNX-UHFFFAOYSA-N 1 2 396.495 2.113 50 0 GEAALO C[C@H](CCNC(=O)C1(c2ccc(S(C)(=O)=O)cc2)CCC1)n1cc[nH+]c1 ZINC000219230032 222592899 /nfs/dbraw/zinc/59/28/99/222592899.db2.gz ZCQLSBMWRRTOFD-OAHLLOKOSA-N 1 2 375.494 2.476 50 0 GEAALO O=C(Cn1nc(Cc2ccccc2)c2ccccc2c1=O)NCCc1c[nH+]c[nH]1 ZINC000426471070 231225271 /nfs/dbraw/zinc/22/52/71/231225271.db2.gz WWLYTWPNGLPWJA-UHFFFAOYSA-N 1 2 387.443 2.069 50 0 GEAALO O=C(Cn1nc(Cc2ccccc2)c2ccccc2c1=O)NCCc1c[nH]c[nH+]1 ZINC000426471070 231225274 /nfs/dbraw/zinc/22/52/74/231225274.db2.gz WWLYTWPNGLPWJA-UHFFFAOYSA-N 1 2 387.443 2.069 50 0 GEAALO C[C@@H]([NH2+][C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1cccs1)c1ccccc1 ZINC000013371099 531561170 /nfs/dbraw/zinc/56/11/70/531561170.db2.gz PGTJNPLCXXAJNY-SNPRPXQTSA-N 1 2 385.532 2.038 50 0 GEAALO NC(=O)Cn1c2ccccc2n(CCOc2ccc(Br)cc2)c1=[NH2+] ZINC000020057878 531580597 /nfs/dbraw/zinc/58/05/97/531580597.db2.gz NTYYACJYKSTYIH-UHFFFAOYSA-N 1 2 389.253 2.249 50 0 GEAALO O[C@@H](COc1ccc(Br)cc1Br)C[NH+]1CCOCC1 ZINC000020818969 531584265 /nfs/dbraw/zinc/58/42/65/531584265.db2.gz MBNICKCRMPSOST-LLVKDONJSA-N 1 2 395.091 2.284 50 0 GEAALO O=S(=O)(c1cccc(Cl)c1)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000023466426 531597456 /nfs/dbraw/zinc/59/74/56/531597456.db2.gz QRCREWPWXZUXAR-SFHVURJKSA-N 1 2 380.897 2.380 50 0 GEAALO CCc1[nH+]c(SCC(=O)NC(=O)NC)nc(N)c1-c1ccc(Cl)cc1 ZINC000025048816 531610557 /nfs/dbraw/zinc/61/05/57/531610557.db2.gz BKZMHWRFUVDEFG-UHFFFAOYSA-N 1 2 379.873 2.489 50 0 GEAALO NC(=O)[C@@H]1CCC[N@H+](Cc2cc(Br)cc(Br)c2N)C1 ZINC000170596330 531883418 /nfs/dbraw/zinc/88/34/18/531883418.db2.gz IBQLWLCPOHEZBW-MRVPVSSYSA-N 1 2 391.107 2.491 50 0 GEAALO NC(=O)[C@@H]1CCC[N@@H+](Cc2cc(Br)cc(Br)c2N)C1 ZINC000170596330 531883422 /nfs/dbraw/zinc/88/34/22/531883422.db2.gz IBQLWLCPOHEZBW-MRVPVSSYSA-N 1 2 391.107 2.491 50 0 GEAALO COc1ccc([C@H]2CC(=O)c3cnc(N4CC[NH+](C)CC4)nc3C2)c(OC)c1 ZINC000004988721 204099432 /nfs/dbraw/zinc/09/94/32/204099432.db2.gz MNZRHUFUIIYSOH-CQSZACIVSA-N 1 2 382.464 2.158 50 0 GEAALO O=C(Cn1ncc2c1-c1ccccc1OC2)N1CCN(c2cccc[nH+]2)CC1 ZINC000005055171 204108107 /nfs/dbraw/zinc/10/81/07/204108107.db2.gz AAJJHYDKLWTJCD-UHFFFAOYSA-N 1 2 375.432 2.186 50 0 GEAALO C[C@H](Oc1ccc2c3c(c(=O)oc2c1)CCC3)C(=O)NCCCn1cc[nH+]c1 ZINC000006660164 204188697 /nfs/dbraw/zinc/18/86/97/204188697.db2.gz YQLOIKCTLJJKPE-AWEZNQCLSA-N 1 2 381.432 2.452 50 0 GEAALO O=S(=O)(c1cccc(Cl)c1)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000007285620 204239004 /nfs/dbraw/zinc/23/90/04/204239004.db2.gz LYDSVVCTKVBKID-UHFFFAOYSA-N 1 2 390.896 2.494 50 0 GEAALO COCCCNC(=O)C[NH+]1CCN(c2cc(C)c3cc(C)cc(C)c3n2)CC1 ZINC000007735885 204248576 /nfs/dbraw/zinc/24/85/76/204248576.db2.gz GBZAGBNAZSPVQS-UHFFFAOYSA-N 1 2 384.524 2.435 50 0 GEAALO C[N@H+](CC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)Cc1ccsc1 ZINC000007806314 204251019 /nfs/dbraw/zinc/25/10/19/204251019.db2.gz PHOYKSVESQQYRD-UHFFFAOYSA-N 1 2 387.505 2.253 50 0 GEAALO C[N@@H+](CC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)Cc1ccsc1 ZINC000007806314 204251023 /nfs/dbraw/zinc/25/10/23/204251023.db2.gz PHOYKSVESQQYRD-UHFFFAOYSA-N 1 2 387.505 2.253 50 0 GEAALO C[C@H](NC(=O)CCN1C(=O)NC2(CCCC2)C1=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000008706437 204285029 /nfs/dbraw/zinc/28/50/29/204285029.db2.gz IQWVRVXTCAZHGO-HNNXBMFYSA-N 1 2 395.463 2.304 50 0 GEAALO COCCCNC(=O)CSc1[nH+]cnc2c1cnn2-c1ccc(F)cc1 ZINC000008754707 204288999 /nfs/dbraw/zinc/28/89/99/204288999.db2.gz AGPMDWGRVKAQQV-UHFFFAOYSA-N 1 2 375.429 2.199 50 0 GEAALO Cn1cc[nH+]c1[C@@H](NC(=O)c1nn(C)c(=O)c2ccccc12)c1ccc(F)cc1 ZINC000008216009 204265870 /nfs/dbraw/zinc/26/58/70/204265870.db2.gz BJVCCBKPHRTQQF-KRWDZBQOSA-N 1 2 391.406 2.326 50 0 GEAALO C[C@@H](NC(=O)CSc1nnc(C[NH+]2CCCC2)o1)c1ccc2c(c1)OCO2 ZINC000008231154 204266538 /nfs/dbraw/zinc/26/65/38/204266538.db2.gz VSETZXJDOXOPLS-GFCCVEGCSA-N 1 2 390.465 2.364 50 0 GEAALO CCOc1ccc(C(=O)N2CCN(c3cc(-n4cc[nH+]c4)ncn3)CC2)cc1 ZINC000035598074 204274048 /nfs/dbraw/zinc/27/40/48/204274048.db2.gz IRLWBJOAGADCEQ-UHFFFAOYSA-N 1 2 378.436 2.023 50 0 GEAALO Cc1ccc(NC(=O)C[NH+]2CCC3(CC2)N=C(c2ccccc2)C(=O)N3)cc1 ZINC000009526725 204314137 /nfs/dbraw/zinc/31/41/37/204314137.db2.gz HOPCGRLVVXPEHC-UHFFFAOYSA-N 1 2 376.460 2.345 50 0 GEAALO O=C(C[NH+]1CCC(C(=O)N2CCCCCC2)CC1)N1CC(=O)Nc2ccccc21 ZINC000009076657 204298987 /nfs/dbraw/zinc/29/89/87/204298987.db2.gz MBEFZAIWHAJRGJ-UHFFFAOYSA-N 1 2 398.507 2.086 50 0 GEAALO CC(C)N(Cc1[nH+]ccn1C)C(=O)[C@@H]1CCC(=O)N(CCc2ccccn2)C1 ZINC000011820246 204356142 /nfs/dbraw/zinc/35/61/42/204356142.db2.gz AYWHMBWGJKLWFQ-QGZVFWFLSA-N 1 2 383.496 2.033 50 0 GEAALO O=C(Cn1nnnc1C[NH+]1CCCCCC1)N1CC[C@@H](c2ccc(F)cc2)C1 ZINC000011841064 204357988 /nfs/dbraw/zinc/35/79/88/204357988.db2.gz OHSHMDISSDPJOA-QGZVFWFLSA-N 1 2 386.475 2.204 50 0 GEAALO CCN1C[C@H](CN(C)C(=O)c2cc(Cn3c(C)[nH+]c4ccccc43)n[nH]2)CC1=O ZINC000011936128 204365057 /nfs/dbraw/zinc/36/50/57/204365057.db2.gz PRPFMZMHFCGUKG-HNNXBMFYSA-N 1 2 394.479 2.057 50 0 GEAALO Cc1nn(C(F)F)cc1S(=O)(=O)N1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC000036614844 205019363 /nfs/dbraw/zinc/01/93/63/205019363.db2.gz KBOXBGNLEJAJHG-UHFFFAOYSA-N 1 2 384.452 2.402 50 0 GEAALO Cc1cc(=O)c(C(=O)NCc2ccc[nH+]c2N(C)CCc2ccccn2)c[nH]1 ZINC000039536879 205042018 /nfs/dbraw/zinc/04/20/18/205042018.db2.gz KBSZELLIFWTIFD-UHFFFAOYSA-N 1 2 377.448 2.082 50 0 GEAALO C[C@@H](Oc1ccccc1)C(=O)N1CCN(c2cc(N3CCCC3)[nH+]cn2)CC1 ZINC000038528271 205037149 /nfs/dbraw/zinc/03/71/49/205037149.db2.gz WOLYJNGOKHTHBT-QGZVFWFLSA-N 1 2 381.480 2.193 50 0 GEAALO C[C@@H](Oc1ccccc1)C(=O)N1CCN(c2cc(N3CCCC3)nc[nH+]2)CC1 ZINC000038528271 205037153 /nfs/dbraw/zinc/03/71/53/205037153.db2.gz WOLYJNGOKHTHBT-QGZVFWFLSA-N 1 2 381.480 2.193 50 0 GEAALO CCn1ncc(C[N@@H+]2CCN(Cc3ccc(OC)cc3F)[C@H](CCO)C2)c1C ZINC000039543667 205042659 /nfs/dbraw/zinc/04/26/59/205042659.db2.gz FOIRQHXIJTZWLE-LJQANCHMSA-N 1 2 390.503 2.428 50 0 GEAALO CCn1ncc(C[N@H+]2CCN(Cc3ccc(OC)cc3F)[C@H](CCO)C2)c1C ZINC000039543667 205042663 /nfs/dbraw/zinc/04/26/63/205042663.db2.gz FOIRQHXIJTZWLE-LJQANCHMSA-N 1 2 390.503 2.428 50 0 GEAALO CCn1ncc(CN2CC[N@H+](Cc3ccc(OC)cc3F)[C@H](CCO)C2)c1C ZINC000039543667 205042668 /nfs/dbraw/zinc/04/26/68/205042668.db2.gz FOIRQHXIJTZWLE-LJQANCHMSA-N 1 2 390.503 2.428 50 0 GEAALO CCn1ncc(CN2CC[N@@H+](Cc3ccc(OC)cc3F)[C@H](CCO)C2)c1C ZINC000039543667 205042670 /nfs/dbraw/zinc/04/26/70/205042670.db2.gz FOIRQHXIJTZWLE-LJQANCHMSA-N 1 2 390.503 2.428 50 0 GEAALO Cn1cc[nH+]c1[C@H](NC(=O)c1cnc2sccn2c1=O)c1ccc(F)cc1 ZINC000040017353 205045875 /nfs/dbraw/zinc/04/58/75/205045875.db2.gz XVXILGJJDFQGQO-CQSZACIVSA-N 1 2 383.408 2.148 50 0 GEAALO COc1ccc(C)cc1C[NH+]1CCN(c2nn3c(nc(C)cc3=O)s2)CC1 ZINC000040050779 205048022 /nfs/dbraw/zinc/04/80/22/205048022.db2.gz PCXDMRWMMPESRS-UHFFFAOYSA-N 1 2 385.493 2.099 50 0 GEAALO Cc1ccc2c(=O)c(C(=O)N3CC[NH+](Cc4ccccc4C)CC3)c[n-]c2[nH+]1 ZINC000040122808 205055607 /nfs/dbraw/zinc/05/56/07/205055607.db2.gz YAGQUFYTSSYLIS-UHFFFAOYSA-N 1 2 376.460 2.498 50 0 GEAALO C[NH+]1CCN(C(=O)c2csc(NC(=O)Cc3ccc(Cl)cc3)n2)CC1 ZINC000040355696 205062788 /nfs/dbraw/zinc/06/27/88/205062788.db2.gz HVRZNDPPYCZHND-UHFFFAOYSA-N 1 2 378.885 2.365 50 0 GEAALO O=C(NCCn1cc[nH+]c1)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC000048141939 205113912 /nfs/dbraw/zinc/11/39/12/205113912.db2.gz YIDGSSGWXVOTAF-CQSZACIVSA-N 1 2 380.370 2.067 50 0 GEAALO COc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)[C@@H]2Cc3ccccc3O2)cc1 ZINC000048303332 205118502 /nfs/dbraw/zinc/11/85/02/205118502.db2.gz JZLZAEWQLXEISS-CTNGQTDRSA-N 1 2 382.460 2.188 50 0 GEAALO COc1ccccc1N(CCC(N)=O)C(=O)C[N@@H+]1CCC[C@H]1c1cc(C)no1 ZINC000048303739 205118992 /nfs/dbraw/zinc/11/89/92/205118992.db2.gz QMTTWJYLPIZMEZ-HNNXBMFYSA-N 1 2 386.452 2.037 50 0 GEAALO COc1ccccc1N(CCC(N)=O)C(=O)C[N@H+]1CCC[C@H]1c1cc(C)no1 ZINC000048303739 205118995 /nfs/dbraw/zinc/11/89/95/205118995.db2.gz QMTTWJYLPIZMEZ-HNNXBMFYSA-N 1 2 386.452 2.037 50 0 GEAALO CC(C)CN(Cc1ccccn1)C(=O)C[C@H]1C(=O)NCC[N@H+]1Cc1ccccc1 ZINC000055306727 205147411 /nfs/dbraw/zinc/14/74/11/205147411.db2.gz FDPLBFQYQJCMPA-NRFANRHFSA-N 1 2 394.519 2.457 50 0 GEAALO CC(C)CN(Cc1ccccn1)C(=O)C[C@H]1C(=O)NCC[N@@H+]1Cc1ccccc1 ZINC000055306727 205147417 /nfs/dbraw/zinc/14/74/17/205147417.db2.gz FDPLBFQYQJCMPA-NRFANRHFSA-N 1 2 394.519 2.457 50 0 GEAALO CCOC(=O)N1CC[NH+]([C@@H]2CCCN(C(=O)c3cccc(N(C)C)c3)C2)CC1 ZINC000055575604 205148446 /nfs/dbraw/zinc/14/84/46/205148446.db2.gz ZEBLHEUSESTYLX-LJQANCHMSA-N 1 2 388.512 2.131 50 0 GEAALO Cc1ccc(C[NH2+][C@H]2CS(=O)(=O)C[C@@H]2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000055408289 205148563 /nfs/dbraw/zinc/14/85/63/205148563.db2.gz RMHFCDZEOHWHRM-OALUTQOASA-N 1 2 393.530 2.033 50 0 GEAALO CN(C)c1[nH+]cccc1CNC(=O)N1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000056399732 205151762 /nfs/dbraw/zinc/15/17/62/205151762.db2.gz XQMOGHUPSDAZGM-HNNXBMFYSA-N 1 2 377.489 2.346 50 0 GEAALO CCOC(=O)C1=C(C[NH+]2CCSCC2)NC(=O)N[C@@H]1c1cccc(F)c1 ZINC000057415629 205156878 /nfs/dbraw/zinc/15/68/78/205156878.db2.gz NCDOVPAQBQVUQF-MRXNPFEDSA-N 1 2 379.457 2.046 50 0 GEAALO CS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc3[nH]c(C4CCC4)[nH+]c3c2)C1 ZINC000058208476 205168484 /nfs/dbraw/zinc/16/84/84/205168484.db2.gz VVLSMPVPGPJKNL-ZDUSSCGKSA-N 1 2 376.482 2.441 50 0 GEAALO O=C(N[C@@H]1CS(=O)(=O)C[C@H]1[NH+]1CCCCC1)c1cccc(Cl)c1Cl ZINC000060364019 205181202 /nfs/dbraw/zinc/18/12/02/205181202.db2.gz NQJHLSIYNHKHRP-ZIAGYGMSSA-N 1 2 391.320 2.375 50 0 GEAALO O=C(Nc1cc(F)ccc1F)c1ccc2c(c1)nnn2CC[NH+]1CCOCC1 ZINC000065255173 205223173 /nfs/dbraw/zinc/22/31/73/205223173.db2.gz CJFXSMNXYCTATQ-UHFFFAOYSA-N 1 2 387.390 2.294 50 0 GEAALO O=C(c1cc2n(n1)CCN(Cc1ccccc1)C2)N1CC[C@@H](n2cc[nH+]c2)C1 ZINC000065407633 205233679 /nfs/dbraw/zinc/23/36/79/205233679.db2.gz QJRAFSDFGMGSCS-GOSISDBHSA-N 1 2 376.464 2.183 50 0 GEAALO CN(C)C(=O)C[N@H+](C)Cc1cccc(C(=O)Nc2ccc3nccnc3c2)c1 ZINC000065425882 205234883 /nfs/dbraw/zinc/23/48/83/205234883.db2.gz VEZVXOIFZWOXHO-UHFFFAOYSA-N 1 2 377.448 2.402 50 0 GEAALO CN(C)C(=O)C[N@@H+](C)Cc1cccc(C(=O)Nc2ccc3nccnc3c2)c1 ZINC000065425882 205234888 /nfs/dbraw/zinc/23/48/88/205234888.db2.gz VEZVXOIFZWOXHO-UHFFFAOYSA-N 1 2 377.448 2.402 50 0 GEAALO Cc1nc(C[NH2+]CC(=O)Nc2nnc([C@@H]3CCCO3)s2)nc2c1CCCC2 ZINC000065417280 205235173 /nfs/dbraw/zinc/23/51/73/205235173.db2.gz HAABDIUXMFZGGA-AWEZNQCLSA-N 1 2 388.497 2.095 50 0 GEAALO O=C(Nc1ccc2c(c1)OCCO2)c1cn(-c2cc(N3CCCC3)[nH+]cn2)cn1 ZINC000065239834 205221085 /nfs/dbraw/zinc/22/10/85/205221085.db2.gz SKBZCUPOLKVKKJ-UHFFFAOYSA-N 1 2 392.419 2.286 50 0 GEAALO Cc1ccnc(-n2cc(C3=CC[N@H+](CC(=O)Nc4ccn(C)n4)CC3)cn2)c1 ZINC000067641970 205252096 /nfs/dbraw/zinc/25/20/96/205252096.db2.gz SVXVMEAIFBKSHN-UHFFFAOYSA-N 1 2 377.452 2.037 50 0 GEAALO Cc1ccnc(-n2cc(C3=CC[N@@H+](CC(=O)Nc4ccn(C)n4)CC3)cn2)c1 ZINC000067641970 205252097 /nfs/dbraw/zinc/25/20/97/205252097.db2.gz SVXVMEAIFBKSHN-UHFFFAOYSA-N 1 2 377.452 2.037 50 0 GEAALO O=C(c1cc(C[NH+]2CCC(O)CC2)on1)N1CCCC[C@@H]1c1nccs1 ZINC000067679348 205254022 /nfs/dbraw/zinc/25/40/22/205254022.db2.gz POCIYHFZRRAKCJ-MRXNPFEDSA-N 1 2 376.482 2.455 50 0 GEAALO Cc1noc(C[N@@H+](C)C[C@@]2(O)CCCN(Cc3ccc(C(C)C)cc3)C2=O)n1 ZINC000067725479 205256780 /nfs/dbraw/zinc/25/67/80/205256780.db2.gz NRXTWDXDBJMPQM-NRFANRHFSA-N 1 2 386.496 2.487 50 0 GEAALO Cc1noc(C[N@H+](C)C[C@@]2(O)CCCN(Cc3ccc(C(C)C)cc3)C2=O)n1 ZINC000067725479 205256783 /nfs/dbraw/zinc/25/67/83/205256783.db2.gz NRXTWDXDBJMPQM-NRFANRHFSA-N 1 2 386.496 2.487 50 0 GEAALO O=S(=O)(/C=C/c1ccccc1)N1CCCSC[C@H]1C[NH+]1CCOCC1 ZINC000090609259 205274593 /nfs/dbraw/zinc/27/45/93/205274593.db2.gz BGIKRACXWYNYLC-GAVDFCLNSA-N 1 2 382.551 2.127 50 0 GEAALO CC1=C(C(=O)NCc2ccccc2-n2cc[nH+]c2)[C@@H](c2cccnc2)NC(=O)N1 ZINC000067954468 205268006 /nfs/dbraw/zinc/26/80/06/205268006.db2.gz DNDSDDMEGBBASA-LJQANCHMSA-N 1 2 388.431 2.212 50 0 GEAALO Cc1ccc(C2(O)CCN(C(=O)[C@@H](Cc3c[nH+]c[nH]3)n3cccc3)CC2)nc1 ZINC000067964786 205269877 /nfs/dbraw/zinc/26/98/77/205269877.db2.gz IVJOAYHTKAVYON-GOSISDBHSA-N 1 2 379.464 2.209 50 0 GEAALO Cc1ccc(C2(O)CCN(C(=O)[C@@H](Cc3c[nH]c[nH+]3)n3cccc3)CC2)nc1 ZINC000067964786 205269881 /nfs/dbraw/zinc/26/98/81/205269881.db2.gz IVJOAYHTKAVYON-GOSISDBHSA-N 1 2 379.464 2.209 50 0 GEAALO Cc1ccc(-c2[nH]c(CNC(=O)[C@H]3COCC[NH2+]3)nc2-c2ccccn2)cc1 ZINC000067446557 205247164 /nfs/dbraw/zinc/24/71/64/205247164.db2.gz VCSJGNZFYLCCQQ-QGZVFWFLSA-N 1 2 377.448 2.052 50 0 GEAALO Cc1[nH+]cn(-c2cc(N3CCN(C(=O)c4ccc(F)cc4)CC3)ncn2)c1C ZINC000072117404 205305162 /nfs/dbraw/zinc/30/51/62/205305162.db2.gz RZKAAQCMZQSQMK-UHFFFAOYSA-N 1 2 380.427 2.381 50 0 GEAALO O=S(=O)(N[C@H]1CCC[N@H+](Cc2ccccn2)C1)c1ccc(-n2cccn2)cc1 ZINC000072157902 205312715 /nfs/dbraw/zinc/31/27/15/205312715.db2.gz MFDUQXSCTIPPCC-SFHVURJKSA-N 1 2 397.504 2.210 50 0 GEAALO O=S(=O)(N[C@H]1CCC[N@@H+](Cc2ccccn2)C1)c1ccc(-n2cccn2)cc1 ZINC000072157902 205312722 /nfs/dbraw/zinc/31/27/22/205312722.db2.gz MFDUQXSCTIPPCC-SFHVURJKSA-N 1 2 397.504 2.210 50 0 GEAALO NC(=O)c1cccc(C[C@H]2CCN(C(=O)CCc3cn4ccccc4[nH+]3)C2)c1 ZINC000072173815 205316944 /nfs/dbraw/zinc/31/69/44/205316944.db2.gz JYFFUNPJQMBALA-QGZVFWFLSA-N 1 2 376.460 2.457 50 0 GEAALO Cc1cccc(C[N@@H+]2CCN(C(=O)c3cn4c(cccc4C)n3)C[C@H]2CCO)n1 ZINC000072433258 205350307 /nfs/dbraw/zinc/35/03/07/205350307.db2.gz ORWAJUSKEKZMFP-LJQANCHMSA-N 1 2 393.491 2.055 50 0 GEAALO Cc1cccc(C[N@H+]2CCN(C(=O)c3cn4c(cccc4C)n3)C[C@H]2CCO)n1 ZINC000072433258 205350311 /nfs/dbraw/zinc/35/03/11/205350311.db2.gz ORWAJUSKEKZMFP-LJQANCHMSA-N 1 2 393.491 2.055 50 0 GEAALO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2cscn2)C[C@H]1CCO ZINC000072419498 205347194 /nfs/dbraw/zinc/34/71/94/205347194.db2.gz WNPTVEPWLRVVKI-MRXNPFEDSA-N 1 2 375.494 2.251 50 0 GEAALO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2cscn2)C[C@H]1CCO ZINC000072419498 205347197 /nfs/dbraw/zinc/34/71/97/205347197.db2.gz WNPTVEPWLRVVKI-MRXNPFEDSA-N 1 2 375.494 2.251 50 0 GEAALO Cn1c2cc(C(=O)NCc3[nH]cc[nH+]3)ccc2n(CCc2ccccc2)c1=O ZINC000077470542 205364482 /nfs/dbraw/zinc/36/44/82/205364482.db2.gz RMRYDKHQSYJSSS-UHFFFAOYSA-N 1 2 375.432 2.236 50 0 GEAALO Cc1ccc(C)c(NC(=O)[C@H](C)N2CC[NH+](CC(=O)N3CCCCC3)CC2)c1 ZINC000095946690 205505952 /nfs/dbraw/zinc/50/59/52/205505952.db2.gz SQNONQHHWBBOLD-IBGZPJMESA-N 1 2 386.540 2.261 50 0 GEAALO Cc1cc(N)nc(SCC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)[nH+]1 ZINC000007048796 205784268 /nfs/dbraw/zinc/78/42/68/205784268.db2.gz OFYXNZIMSJKIJQ-UHFFFAOYSA-N 1 2 375.498 2.254 50 0 GEAALO CCCN1CCCN(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)CC1=O ZINC000252498138 206139996 /nfs/dbraw/zinc/13/99/96/206139996.db2.gz QUUSKVLPAUGYKV-UHFFFAOYSA-N 1 2 385.468 2.438 50 0 GEAALO COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(Oc3cccnc3)cc2)C1 ZINC000241837514 206128947 /nfs/dbraw/zinc/12/89/47/206128947.db2.gz SKTMQLICSISWNG-MRXNPFEDSA-N 1 2 383.448 2.489 50 0 GEAALO COC(=O)C[N@H+]1CCC[C@H](CNC(=O)c2ccc(Oc3cccnc3)cc2)C1 ZINC000241837514 206128952 /nfs/dbraw/zinc/12/89/52/206128952.db2.gz SKTMQLICSISWNG-MRXNPFEDSA-N 1 2 383.448 2.489 50 0 GEAALO COc1ccc([C@H](NC(=O)C[N@@H+]2CCc3ccccc3C2)[C@H]2C[C@@H](O)C2)cn1 ZINC000244608494 206129554 /nfs/dbraw/zinc/12/95/54/206129554.db2.gz FDSDYCHZIRONAM-JQVVWYNYSA-N 1 2 381.476 2.077 50 0 GEAALO COc1ccc([C@H](NC(=O)C[N@H+]2CCc3ccccc3C2)[C@H]2C[C@@H](O)C2)cn1 ZINC000244608494 206129557 /nfs/dbraw/zinc/12/95/57/206129557.db2.gz FDSDYCHZIRONAM-JQVVWYNYSA-N 1 2 381.476 2.077 50 0 GEAALO COc1cncc([C@@H](NC(=O)Cc2ccc3[nH]c(C)[nH+]c3c2)[C@H]2C[C@@H](O)C2)c1 ZINC000244724555 206131680 /nfs/dbraw/zinc/13/16/80/206131680.db2.gz MWGMHXDOVPBSJK-PXARDIRTSA-N 1 2 380.448 2.446 50 0 GEAALO COc1cncc([C@@H](NC(=O)Cc2ccc3[nH+]c(C)[nH]c3c2)[C@H]2C[C@@H](O)C2)c1 ZINC000244724555 206131684 /nfs/dbraw/zinc/13/16/84/206131684.db2.gz MWGMHXDOVPBSJK-PXARDIRTSA-N 1 2 380.448 2.446 50 0 GEAALO CCn1cc(-c2cccc(C(=O)N3CCN(Cc4[nH+]ccn4C)CC3)c2)cn1 ZINC000299764781 206186924 /nfs/dbraw/zinc/18/69/24/206186924.db2.gz FJCRCZCDCNTICK-UHFFFAOYSA-N 1 2 378.480 2.262 50 0 GEAALO CN(C)C(=O)c1cc2cc(NC(=O)NCC[NH+]3CCOCC3)ccc2s1 ZINC000299799066 206191963 /nfs/dbraw/zinc/19/19/63/206191963.db2.gz UKAUUVOWOBVBBO-UHFFFAOYSA-N 1 2 376.482 2.057 50 0 GEAALO Cc1ccc(N2CCN(C3=[NH+][C@@H](C(=O)Nc4ccccc4)CC(=O)N3)CC2)cc1 ZINC000008758075 206223785 /nfs/dbraw/zinc/22/37/85/206223785.db2.gz LSVBGXSPMZMEPS-LJQANCHMSA-N 1 2 391.475 2.000 50 0 GEAALO CC(NCCc1c[nH]c[nH+]1)=C1C(=O)NC(=O)N(c2ccc(C(C)C)cc2)C1=O ZINC000006907246 206219893 /nfs/dbraw/zinc/21/98/93/206219893.db2.gz WQCKIBTYWJNLRL-GHRIWEEISA-N 1 2 381.436 2.222 50 0 GEAALO CCOc1ccc(C[N@@H+]2CCNC(=O)[C@H]2CC(=O)NCc2cccc(F)c2)cc1 ZINC000012073076 221146482 /nfs/dbraw/zinc/14/64/82/221146482.db2.gz AAEYJUBZEVKNIV-HXUWFJFHSA-N 1 2 399.466 2.231 50 0 GEAALO CCOc1ccc(C[N@H+]2CCNC(=O)[C@H]2CC(=O)NCc2cccc(F)c2)cc1 ZINC000012073076 221146486 /nfs/dbraw/zinc/14/64/86/221146486.db2.gz AAEYJUBZEVKNIV-HXUWFJFHSA-N 1 2 399.466 2.231 50 0 GEAALO O=C(C[NH+]1CCN(c2ccccc2O)CC1)Nc1ccccc1C(=O)NC1CC1 ZINC000057888842 136154092 /nfs/dbraw/zinc/15/40/92/136154092.db2.gz XFIFICIKDKELRU-UHFFFAOYSA-N 1 2 394.475 2.045 50 0 GEAALO O=C(C1CN(c2nc3ccccc3s2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000062023108 136156413 /nfs/dbraw/zinc/15/64/13/136156413.db2.gz JMVJPLDLCUOFQL-UHFFFAOYSA-N 1 2 379.489 2.476 50 0 GEAALO Cc1cc(C)n(-c2cc[nH+]c(N3CCC(C(=O)N4CCSCC4)CC3)n2)n1 ZINC000065240376 136161089 /nfs/dbraw/zinc/16/10/89/136161089.db2.gz KTCZQUQLUZYVSB-UHFFFAOYSA-N 1 2 386.525 2.071 50 0 GEAALO Cc1nc(N2CCn3nc(C(=O)NCc4ccccn4)cc3C2)cc(C(C)C)[nH+]1 ZINC000065373998 136163695 /nfs/dbraw/zinc/16/36/95/136163695.db2.gz HHVIDQVZTUNTNS-UHFFFAOYSA-N 1 2 391.479 2.450 50 0 GEAALO Cc1ccc(Cl)c(CN2CCN(c3cc(NCCO)[nH+]cn3)CC2)c1F ZINC000065382962 136163882 /nfs/dbraw/zinc/16/38/82/136163882.db2.gz DRIZQSFTOYJPCH-UHFFFAOYSA-N 1 2 379.867 2.304 50 0 GEAALO Fc1cccc(CN2CCC[N@H+](Cc3cnc(N4CCOCC4)nc3)CC2)c1 ZINC000072481256 136171394 /nfs/dbraw/zinc/17/13/94/136171394.db2.gz LMRJUGHBLKHEHM-UHFFFAOYSA-N 1 2 385.487 2.160 50 0 GEAALO Fc1cccc(CN2CCC[N@@H+](Cc3cnc(N4CCOCC4)nc3)CC2)c1 ZINC000072481256 136171395 /nfs/dbraw/zinc/17/13/95/136171395.db2.gz LMRJUGHBLKHEHM-UHFFFAOYSA-N 1 2 385.487 2.160 50 0 GEAALO Cc1cnc(C)c(N2CCC3(CC2)c2[nH+]c[nH]c2CCN3C(=O)C2CCC2)n1 ZINC000091441702 136176582 /nfs/dbraw/zinc/17/65/82/136176582.db2.gz SQXSCLDPJWYXLF-UHFFFAOYSA-N 1 2 380.496 2.497 50 0 GEAALO CC(C)n1cccc1C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000121908278 136192459 /nfs/dbraw/zinc/19/24/59/136192459.db2.gz PNFZKMYCOKJODG-QGZVFWFLSA-N 1 2 398.511 2.094 50 0 GEAALO CC(C)n1cccc1C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000121908278 136192460 /nfs/dbraw/zinc/19/24/60/136192460.db2.gz PNFZKMYCOKJODG-QGZVFWFLSA-N 1 2 398.511 2.094 50 0 GEAALO O=S(=O)(Cc1ccccc1)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000011900702 136199814 /nfs/dbraw/zinc/19/98/14/136199814.db2.gz JHMYCTLOWFWWIA-UHFFFAOYSA-N 1 2 377.485 2.067 50 0 GEAALO Cn1c(CCNC(=O)N2CC[NH+](Cc3cccnc3)CC2)nc2ccccc21 ZINC000426370518 534682586 /nfs/dbraw/zinc/68/25/86/534682586.db2.gz QLFCKXZFRFVRQH-UHFFFAOYSA-N 1 2 378.480 2.038 50 0 GEAALO Cc1ccc(-n2nc(COc3ccccc3)nc2[C@@H]2C[NH2+]CC(=O)N2)c(C)c1 ZINC000096131632 570211195 /nfs/dbraw/zinc/21/11/95/570211195.db2.gz GIVXBUVMUWEIHX-KRWDZBQOSA-N 1 2 377.448 2.224 50 0 GEAALO Cn1c(C[NH+](C)C)nnc1C1CCN(C(=O)c2c[nH]nc2-c2ccccc2)CC1 ZINC000096138745 570212819 /nfs/dbraw/zinc/21/28/19/570212819.db2.gz PISROHJTPYNCAZ-UHFFFAOYSA-N 1 2 393.495 2.287 50 0 GEAALO O=C(NCc1cc[nH+]c(N2CCOCC2)c1)Nc1nnc(-c2ccccn2)s1 ZINC000047790765 570215463 /nfs/dbraw/zinc/21/54/63/570215463.db2.gz FAMRDEQCMWOEMR-UHFFFAOYSA-N 1 2 397.464 2.153 50 0 GEAALO CC(C)[N@@H+]1CCNC(=O)[C@H]1Cc1nc(-c2ccccc2)nn1-c1ccccn1 ZINC000096153349 570216180 /nfs/dbraw/zinc/21/61/80/570216180.db2.gz XDPJKRMYKRQVNU-QGZVFWFLSA-N 1 2 376.464 2.081 50 0 GEAALO CC(C)[N@H+]1CCNC(=O)[C@H]1Cc1nc(-c2ccccc2)nn1-c1ccccn1 ZINC000096153349 570216182 /nfs/dbraw/zinc/21/61/82/570216182.db2.gz XDPJKRMYKRQVNU-QGZVFWFLSA-N 1 2 376.464 2.081 50 0 GEAALO C[C@@H]1C[N@H+](C2(C(=O)NCCc3cscn3)Cc3ccccc3C2)C[C@H](C)O1 ZINC000019771243 570218074 /nfs/dbraw/zinc/21/80/74/570218074.db2.gz VTAUZHCGPMRTNH-IYBDPMFKSA-N 1 2 385.533 2.449 50 0 GEAALO C[C@@H]1C[N@@H+](C2(C(=O)NCCc3cscn3)Cc3ccccc3C2)C[C@H](C)O1 ZINC000019771243 570218075 /nfs/dbraw/zinc/21/80/75/570218075.db2.gz VTAUZHCGPMRTNH-IYBDPMFKSA-N 1 2 385.533 2.449 50 0 GEAALO C[C@@H]1C[N@H+](C2(C(=O)NCc3[nH]nc4c3CCC4)Cc3ccccc3C2)C[C@H](C)O1 ZINC000019836999 570224026 /nfs/dbraw/zinc/22/40/26/570224026.db2.gz YUNQBYJEWUVJBX-IYBDPMFKSA-N 1 2 394.519 2.161 50 0 GEAALO C[C@@H]1C[N@@H+](C2(C(=O)NCc3[nH]nc4c3CCC4)Cc3ccccc3C2)C[C@H](C)O1 ZINC000019836999 570224027 /nfs/dbraw/zinc/22/40/27/570224027.db2.gz YUNQBYJEWUVJBX-IYBDPMFKSA-N 1 2 394.519 2.161 50 0 GEAALO Cc1ccc(C(=O)N/C(=C\c2ccccc2)C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000019866087 570226486 /nfs/dbraw/zinc/22/64/86/570226486.db2.gz YDHBMJPZDLAYAD-FXBPSFAMSA-N 1 2 393.487 2.214 50 0 GEAALO CCOC(=O)N1CC[NH+]([C@H]2CCCN(C(=O)c3cc(C(C)C)no3)C2)CC1 ZINC000096791707 570232402 /nfs/dbraw/zinc/23/24/02/570232402.db2.gz DWJFGUQBZFSWHB-HNNXBMFYSA-N 1 2 378.473 2.177 50 0 GEAALO COc1ccc(-c2cncc(C(=O)N3CC[NH+](C)CC3)n2)c2ccc(C)nc12 ZINC000097468652 570244533 /nfs/dbraw/zinc/24/45/33/570244533.db2.gz BJUNNXLKBVKXLN-UHFFFAOYSA-N 1 2 377.448 2.396 50 0 GEAALO C[N@@H+]1CCc2c(sc3nc(SCC(=O)NCc4ccco4)nc(N)c32)C1 ZINC000020393812 570253859 /nfs/dbraw/zinc/25/38/59/570253859.db2.gz FSDNTRDQHPAWDL-UHFFFAOYSA-N 1 2 389.506 2.263 50 0 GEAALO C[N@H+]1CCc2c(sc3nc(SCC(=O)NCc4ccco4)nc(N)c32)C1 ZINC000020393812 570253862 /nfs/dbraw/zinc/25/38/62/570253862.db2.gz FSDNTRDQHPAWDL-UHFFFAOYSA-N 1 2 389.506 2.263 50 0 GEAALO C[NH+]1CCC(N2CC[N@H+](Cc3ccc(OC(F)F)cc3)C[C@H]2CCO)CC1 ZINC000104512031 570259496 /nfs/dbraw/zinc/25/94/96/570259496.db2.gz LDOSKCAAKASYPQ-GOSISDBHSA-N 1 2 383.483 2.251 50 0 GEAALO C[NH+]1CCC(N2CC[N@@H+](Cc3ccc(OC(F)F)cc3)C[C@H]2CCO)CC1 ZINC000104512031 570259498 /nfs/dbraw/zinc/25/94/98/570259498.db2.gz LDOSKCAAKASYPQ-GOSISDBHSA-N 1 2 383.483 2.251 50 0 GEAALO O=C(CN1CCN(c2ccc(Cl)cc2)C1=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000049026254 570259589 /nfs/dbraw/zinc/25/95/89/570259589.db2.gz VBLFUDBQQHJBBY-UHFFFAOYSA-N 1 2 399.882 2.326 50 0 GEAALO O=C(CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1)Nc1ccc(Cl)cn1 ZINC000020493972 570263795 /nfs/dbraw/zinc/26/37/95/570263795.db2.gz QZABWHVNBUFASE-UHFFFAOYSA-N 1 2 388.855 2.220 50 0 GEAALO CCOC(=O)CN1CCC[C@H]1c1ccc(C(=O)NCCn2cc[nH+]c2)s1 ZINC000020538923 570266383 /nfs/dbraw/zinc/26/63/83/570266383.db2.gz LXBCIZSDYQNSKQ-AWEZNQCLSA-N 1 2 376.482 2.075 50 0 GEAALO C[NH+]1CCN(C(=O)COc2cc(O)c3c(=O)cc(-c4ccccc4)oc3c2)CC1 ZINC000020648287 570274151 /nfs/dbraw/zinc/27/41/51/570274151.db2.gz ROKLFTMRHLRDHW-UHFFFAOYSA-N 1 2 394.427 2.318 50 0 GEAALO CCN1CC[NH+](C2(C(=O)N[C@H](C)Cc3ccccn3)Cc3ccccc3C2)CC1 ZINC000020912614 570284507 /nfs/dbraw/zinc/28/45/07/570284507.db2.gz FVBIWDUBBFUNKA-LJQANCHMSA-N 1 2 392.547 2.304 50 0 GEAALO COc1ccc(-c2cc3nc(C)cc(NCC[NH+]4CCOCC4)n3n2)cc1OC ZINC000021150283 570288684 /nfs/dbraw/zinc/28/86/84/570288684.db2.gz MANMLAVTIXFFRT-UHFFFAOYSA-N 1 2 397.479 2.466 50 0 GEAALO CCS(=O)(=O)N1CCN(c2nc(C)[nH+]c(C)c2Cc2ccc(C)cc2)CC1 ZINC000000694971 570292757 /nfs/dbraw/zinc/29/27/57/570292757.db2.gz HRVFKASESDJOID-UHFFFAOYSA-N 1 2 388.537 2.464 50 0 GEAALO CCOC(=O)C1CCN(C(=O)[C@H](C)[NH+]2CCN(c3ccccc3F)CC2)CC1 ZINC000034668461 570293013 /nfs/dbraw/zinc/29/30/13/570293013.db2.gz OVMBHTNVDDRANQ-INIZCTEOSA-N 1 2 391.487 2.138 50 0 GEAALO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1CC(=O)Nc1ccc(OC)cc1OC ZINC000247862964 570326533 /nfs/dbraw/zinc/32/65/33/570326533.db2.gz WOUFJCHHVRANKN-XKQJLSEDSA-N 1 2 376.453 2.448 50 0 GEAALO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CC(=O)Nc1ccc(OC)cc1OC ZINC000247862964 570326535 /nfs/dbraw/zinc/32/65/35/570326535.db2.gz WOUFJCHHVRANKN-XKQJLSEDSA-N 1 2 376.453 2.448 50 0 GEAALO CCN1CC[NH+](C2(C(=O)N(C)CC3CCOCC3)Cc3ccccc3C2)CC1 ZINC000022913428 570334095 /nfs/dbraw/zinc/33/40/95/570334095.db2.gz ZGKZLBCFECFCND-UHFFFAOYSA-N 1 2 385.552 2.047 50 0 GEAALO COc1ccc(OC)c(C[NH+]2CCN(Cc3nc4ccccc4c(=O)[nH]3)CC2)c1 ZINC000022914087 570334544 /nfs/dbraw/zinc/33/45/44/570334544.db2.gz YCARZYUREIIJQM-UHFFFAOYSA-N 1 2 394.475 2.258 50 0 GEAALO COc1ccc(CN2CC[NH+](CC(=O)N3CCCC[C@@H]3C)CC2)cc1OC ZINC000022930971 570336838 /nfs/dbraw/zinc/33/68/38/570336838.db2.gz DZNIXWUPLAQDIU-KRWDZBQOSA-N 1 2 375.513 2.222 50 0 GEAALO COc1ccc(C[NH+]2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)cc1OC ZINC000022930971 570336840 /nfs/dbraw/zinc/33/68/40/570336840.db2.gz DZNIXWUPLAQDIU-KRWDZBQOSA-N 1 2 375.513 2.222 50 0 GEAALO C[C@H](C(=O)NC1CCCCC1)[NH+]1CCN(CC(=O)Nc2cccc(F)c2)CC1 ZINC000022932337 570337194 /nfs/dbraw/zinc/33/71/94/570337194.db2.gz RNNIRFPPOXAZTG-MRXNPFEDSA-N 1 2 390.503 2.219 50 0 GEAALO COc1ccc(C[NH+]2CCN(C(=O)c3ccc(Cn4cncn4)cc3)CC2)cc1 ZINC000022980500 570339517 /nfs/dbraw/zinc/33/95/17/570339517.db2.gz XPTXDUYHLZBEOW-UHFFFAOYSA-N 1 2 391.475 2.293 50 0 GEAALO CCOC(=O)c1nnsc1NC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000033436136 570349491 /nfs/dbraw/zinc/34/94/91/570349491.db2.gz AQHRPYWGMMTSNR-UHFFFAOYSA-N 1 2 375.454 2.065 50 0 GEAALO O=C(C[N@H+]1CC=C(c2cnn(-c3ccc(F)cc3)c2)CC1)NC[C@@H]1CCCO1 ZINC000035404427 570351194 /nfs/dbraw/zinc/35/11/94/570351194.db2.gz HKDTYTJWYMQLPP-FQEVSTJZSA-N 1 2 384.455 2.396 50 0 GEAALO O=C(C[N@@H+]1CC=C(c2cnn(-c3ccc(F)cc3)c2)CC1)NC[C@@H]1CCCO1 ZINC000035404427 570351200 /nfs/dbraw/zinc/35/12/00/570351200.db2.gz HKDTYTJWYMQLPP-FQEVSTJZSA-N 1 2 384.455 2.396 50 0 GEAALO Cc1ccc(NC(=O)NC(=O)C[NH+]2CCN(c3ccc(O)cc3)CC2)c(C)c1 ZINC000035436327 570358817 /nfs/dbraw/zinc/35/88/17/570358817.db2.gz SLTCKAKYLMVBJE-UHFFFAOYSA-N 1 2 382.464 2.479 50 0 GEAALO O=C(Cc1ccccc1)NCC(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000023640074 570367507 /nfs/dbraw/zinc/36/75/07/570367507.db2.gz YRWYGRISEXNXCG-UHFFFAOYSA-N 1 2 385.895 2.343 50 0 GEAALO C[C@@]1(c2ccc3c(c2)OCO3)NC(=O)N(C[N@@H+]2CCc3ccccc3C2)C1=O ZINC000023763785 570372360 /nfs/dbraw/zinc/37/23/60/570372360.db2.gz PYKNAJJTXMAKIN-NRFANRHFSA-N 1 2 379.416 2.198 50 0 GEAALO C[C@@]1(c2ccc3c(c2)OCO3)NC(=O)N(C[N@H+]2CCc3ccccc3C2)C1=O ZINC000023763785 570372362 /nfs/dbraw/zinc/37/23/62/570372362.db2.gz PYKNAJJTXMAKIN-NRFANRHFSA-N 1 2 379.416 2.198 50 0 GEAALO COc1cc(OC)cc([C@@H](NC(=O)Cc2c(C)noc2C)c2[nH+]ccn2C)c1 ZINC000024023121 570377267 /nfs/dbraw/zinc/37/72/67/570377267.db2.gz KKYIVCCQTFTZEE-LJQANCHMSA-N 1 2 384.436 2.490 50 0 GEAALO CCOC(=O)c1c(C)c(CCC(=O)N2CCN(c3cccc[nH+]3)CC2)c(C)n1C ZINC000035510254 570383642 /nfs/dbraw/zinc/38/36/42/570383642.db2.gz DDAQIPDYARHIAM-UHFFFAOYSA-N 1 2 398.507 2.495 50 0 GEAALO CC(=O)N1c2ccc(S(=O)(=O)NCCc3cn4ccccc4[nH+]3)cc2C[C@H]1C ZINC000024471811 570384484 /nfs/dbraw/zinc/38/44/84/570384484.db2.gz STEJNNFZUSEDBX-CQSZACIVSA-N 1 2 398.488 2.153 50 0 GEAALO Nc1cc(CCCNC(=O)c2ccc(-n3cc[nH+]c3)nc2)nn1-c1ccccc1 ZINC000024794285 570393566 /nfs/dbraw/zinc/39/35/66/570393566.db2.gz MYQXOZHKEIGBCJ-UHFFFAOYSA-N 1 2 387.447 2.398 50 0 GEAALO O=C(NCCc1c[nH]c2ccccc12)NCc1ccc[nH+]c1N1CCOCC1 ZINC000012985230 570408390 /nfs/dbraw/zinc/40/83/90/570408390.db2.gz OHPMNBWRXANRLB-UHFFFAOYSA-N 1 2 379.464 2.441 50 0 GEAALO Cc1cc(C[NH+]2CCN([C@@H](C)c3nc(N)nc(Nc4ccccc4)n3)CC2)on1 ZINC000027563054 570435703 /nfs/dbraw/zinc/43/57/03/570435703.db2.gz NVISPHCYRBWOLW-HNNXBMFYSA-N 1 2 394.483 2.373 50 0 GEAALO COC(=O)c1ccc(C)c(S(=O)(=O)NCc2ccc(N3CCCC3)[nH+]c2)c1 ZINC000028040850 570450159 /nfs/dbraw/zinc/45/01/59/570450159.db2.gz BBNCNBNWXASZTO-UHFFFAOYSA-N 1 2 389.477 2.255 50 0 GEAALO O=C(C[N@@H+]1CCNC(=O)CC1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000054257162 570459016 /nfs/dbraw/zinc/45/90/16/570459016.db2.gz OAIKHSJIFMZJOQ-UHFFFAOYSA-N 1 2 383.292 2.485 50 0 GEAALO O=C(C[N@H+]1CCNC(=O)CC1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000054257162 570459018 /nfs/dbraw/zinc/45/90/18/570459018.db2.gz OAIKHSJIFMZJOQ-UHFFFAOYSA-N 1 2 383.292 2.485 50 0 GEAALO COc1cc2c(cc1OC)C[N@@H+]([C@H]1CC(=O)N(Cc3ccccc3)C1=O)CC2 ZINC000022609257 570478682 /nfs/dbraw/zinc/47/86/82/570478682.db2.gz PRBRYQMICQQBFS-SFHVURJKSA-N 1 2 380.444 2.390 50 0 GEAALO COc1cc2c(cc1OC)C[N@H+]([C@H]1CC(=O)N(Cc3ccccc3)C1=O)CC2 ZINC000022609257 570478684 /nfs/dbraw/zinc/47/86/84/570478684.db2.gz PRBRYQMICQQBFS-SFHVURJKSA-N 1 2 380.444 2.390 50 0 GEAALO Cn1cc[nH+]c1[C@H](NC(=O)c1cccc(-n2cnnn2)c1)c1ccccc1F ZINC000029999376 570483917 /nfs/dbraw/zinc/48/39/17/570483917.db2.gz XQKJDVQDVNGBGD-QGZVFWFLSA-N 1 2 377.383 2.054 50 0 GEAALO CC[N@H+](CCCNC(=O)CCn1c(=O)[nH]c2ccccc2c1=O)c1ccccc1 ZINC000002952132 570523337 /nfs/dbraw/zinc/52/33/37/570523337.db2.gz DGVRUFQUIMAWMW-UHFFFAOYSA-N 1 2 394.475 2.113 50 0 GEAALO CC[N@@H+](CCCNC(=O)CCn1c(=O)[nH]c2ccccc2c1=O)c1ccccc1 ZINC000002952132 570523342 /nfs/dbraw/zinc/52/33/42/570523342.db2.gz DGVRUFQUIMAWMW-UHFFFAOYSA-N 1 2 394.475 2.113 50 0 GEAALO CCCOc1cccc(CCNC(=O)N2CCN(Cc3[nH+]ccn3C)CC2)c1 ZINC000154779361 570543516 /nfs/dbraw/zinc/54/35/16/570543516.db2.gz UPPHEIPFTQQAAM-UHFFFAOYSA-N 1 2 385.512 2.279 50 0 GEAALO Cc1nn(Cc2ccccc2)c(C)c1C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000032987877 570575070 /nfs/dbraw/zinc/57/50/70/570575070.db2.gz AHSSNYXFIYTWRX-FQEVSTJZSA-N 1 2 382.508 2.485 50 0 GEAALO COCCCC1CCN(C(=O)C[C@H]2C(=O)NCC[N@H+]2Cc2ccccc2)CC1 ZINC000012058420 570603387 /nfs/dbraw/zinc/60/33/87/570603387.db2.gz CBIWHLDNTBNOKI-FQEVSTJZSA-N 1 2 387.524 2.042 50 0 GEAALO COCCCC1CCN(C(=O)C[C@H]2C(=O)NCC[N@@H+]2Cc2ccccc2)CC1 ZINC000012058420 570603394 /nfs/dbraw/zinc/60/33/94/570603394.db2.gz CBIWHLDNTBNOKI-FQEVSTJZSA-N 1 2 387.524 2.042 50 0 GEAALO COc1ccc2[nH]c(CCNC(=O)c3cn(CCc4ccccc4)nn3)[nH+]c2c1 ZINC000012433635 570661138 /nfs/dbraw/zinc/66/11/38/570661138.db2.gz QPXJZMYJCUGQGY-UHFFFAOYSA-N 1 2 390.447 2.378 50 0 GEAALO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc(S(C)(=O)=O)cc1)c1ccc(F)cc1 ZINC000012629868 570692704 /nfs/dbraw/zinc/69/27/04/570692704.db2.gz JOEPCODSYIHCFD-QGZVFWFLSA-N 1 2 387.436 2.482 50 0 GEAALO CCCCCn1c(C[N@@H+]2CCc3ccccc3C2)nc2c1c(=O)n(C)c(=O)n2C ZINC000013540308 570757071 /nfs/dbraw/zinc/75/70/71/570757071.db2.gz DVRNUIFYOZDFNR-UHFFFAOYSA-N 1 2 395.507 2.182 50 0 GEAALO CCCCCn1c(C[N@H+]2CCc3ccccc3C2)nc2c1c(=O)n(C)c(=O)n2C ZINC000013540308 570757073 /nfs/dbraw/zinc/75/70/73/570757073.db2.gz DVRNUIFYOZDFNR-UHFFFAOYSA-N 1 2 395.507 2.182 50 0 GEAALO COCCN=C1Nc2ccccc2C[NH2+][C@@]12CCN(C(=O)c1ccsc1)C2 ZINC000065265783 570768770 /nfs/dbraw/zinc/76/87/70/570768770.db2.gz IHCPCIJFQOJJAB-HXUWFJFHSA-N 1 2 384.505 2.402 50 0 GEAALO C[C@@H](c1ccccc1)N1C[C@@H](C(=O)N2CC[NH+](Cc3ccncc3)CC2)CC1=O ZINC000012533585 570834775 /nfs/dbraw/zinc/83/47/75/570834775.db2.gz GYMSNQPYBQGWGV-RXVVDRJESA-N 1 2 392.503 2.336 50 0 GEAALO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc2c(c1)NC(=O)CO2)c1ccc(F)cc1 ZINC000032830721 570844614 /nfs/dbraw/zinc/84/46/14/570844614.db2.gz ZVBRKKRILOEZRX-GOSISDBHSA-N 1 2 380.379 2.410 50 0 GEAALO COc1ccccc1[C@H](NC(=O)[C@H]1COc2ccccc2O1)c1[nH+]ccn1C ZINC000032842366 570851173 /nfs/dbraw/zinc/85/11/73/570851173.db2.gz PIDVVAGQFBYWCC-MOPGFXCFSA-N 1 2 379.416 2.474 50 0 GEAALO CCCC[N@@H+]1CCOC[C@H]1C(=O)NCc1ccc(Cn2ccccc2=O)cc1 ZINC000170597826 570856154 /nfs/dbraw/zinc/85/61/54/570856154.db2.gz JUUZIGKRXMHJHW-FQEVSTJZSA-N 1 2 383.492 2.014 50 0 GEAALO CCCC[N@H+]1CCOC[C@H]1C(=O)NCc1ccc(Cn2ccccc2=O)cc1 ZINC000170597826 570856158 /nfs/dbraw/zinc/85/61/58/570856158.db2.gz JUUZIGKRXMHJHW-FQEVSTJZSA-N 1 2 383.492 2.014 50 0 GEAALO COc1cccc(N2CC[NH+](CC(=O)Nc3ccc4nsnc4c3)CC2)c1 ZINC000013324580 570895307 /nfs/dbraw/zinc/89/53/07/570895307.db2.gz AJRZPZQGCCEDHA-UHFFFAOYSA-N 1 2 383.477 2.461 50 0 GEAALO NC(=O)[C@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccccc1 ZINC000032903019 570901540 /nfs/dbraw/zinc/90/15/40/570901540.db2.gz PSPJSIRXZGRRHO-LJQANCHMSA-N 1 2 387.505 2.177 50 0 GEAALO O=C(c1ccc(-c2cc3ccccc3[nH]c2=O)cc1)N1CC[NH+](CCO)CC1 ZINC000534653753 570914786 /nfs/dbraw/zinc/91/47/86/570914786.db2.gz RDIDKHLKDIIJSK-UHFFFAOYSA-N 1 2 377.444 2.358 50 0 GEAALO COc1cccc(C(=O)NCCNc2cc(-n3nc(C)cc3C)nc[nH+]2)c1OC ZINC000023144420 570918686 /nfs/dbraw/zinc/91/86/86/570918686.db2.gz ZOIZXIJJFFANOL-UHFFFAOYSA-N 1 2 396.451 2.138 50 0 GEAALO Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000032934645 570947173 /nfs/dbraw/zinc/94/71/73/570947173.db2.gz ZWCMDLFJFKMMNX-CYBMUJFWSA-N 1 2 379.873 2.183 50 0 GEAALO Cn1c(=O)[nH]n(CN2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)c1=S ZINC000032935493 570947892 /nfs/dbraw/zinc/94/78/92/570947892.db2.gz MAWXGXKVRMBOGO-UHFFFAOYSA-N 1 2 387.431 2.038 50 0 GEAALO COc1ccc([C@@H](NC(=O)C(=O)c2cnn(C(C)(C)C)c2)c2[nH+]ccn2C)cc1 ZINC000032936142 570948644 /nfs/dbraw/zinc/94/86/44/570948644.db2.gz CEQIBRLJQVNWLD-QGZVFWFLSA-N 1 2 395.463 2.469 50 0 GEAALO C[N@@H+]1CCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)[C@@H](c2ccccc2)C1 ZINC000012688655 570949367 /nfs/dbraw/zinc/94/93/67/570949367.db2.gz QOCCHSBNCYNNPE-HXUWFJFHSA-N 1 2 399.516 2.491 50 0 GEAALO C[N@H+]1CCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)[C@@H](c2ccccc2)C1 ZINC000012688655 570949369 /nfs/dbraw/zinc/94/93/69/570949369.db2.gz QOCCHSBNCYNNPE-HXUWFJFHSA-N 1 2 399.516 2.491 50 0 GEAALO COc1ccccc1/C=C\C(=O)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000107124385 570971298 /nfs/dbraw/zinc/97/12/98/570971298.db2.gz XDTCHYYIXIOVML-DUQGCJEPSA-N 1 2 396.487 2.293 50 0 GEAALO O=C(Nc1cccc(Oc2cc[nH+]cc2)c1)C(=O)N[C@@H]1CCc2c[nH]nc2C1 ZINC000252535893 570991064 /nfs/dbraw/zinc/99/10/64/570991064.db2.gz HCEITFYOXIYZSF-OAHLLOKOSA-N 1 2 377.404 2.209 50 0 GEAALO CCCOc1ccc(N2C(=O)C[C@@H]([NH+]3CCC(C(=O)OCC)CC3)C2=O)cc1 ZINC000019503873 570993722 /nfs/dbraw/zinc/99/37/22/570993722.db2.gz WLRBRLHIZWBIQE-GOSISDBHSA-N 1 2 388.464 2.382 50 0 GEAALO CC[NH+]1CCN(S(=O)(=O)c2ccc3c(c2)C(=C2CCCC2)C(=O)N3C)CC1 ZINC000045895200 570999023 /nfs/dbraw/zinc/99/90/23/570999023.db2.gz ODCVRUCBKNWPAF-UHFFFAOYSA-N 1 2 389.521 2.317 50 0 GEAALO O=C(c1ccc(Cn2cc[nH+]c2)o1)N1CCN(CCOc2ccccc2)CC1 ZINC000091254644 571001138 /nfs/dbraw/zinc/00/11/38/571001138.db2.gz CDAVTQYUKBQZHF-UHFFFAOYSA-N 1 2 380.448 2.361 50 0 GEAALO COc1ccc(OCC(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000019556784 571003382 /nfs/dbraw/zinc/00/33/82/571003382.db2.gz OMGLRAXQYCMXBA-UHFFFAOYSA-N 1 2 384.432 2.147 50 0 GEAALO O=C(c1cccc(O)c1)N1CCC[C@@]2(CCC(=O)N(CCc3c[nH+]c[nH]3)C2)C1 ZINC000091321691 571003476 /nfs/dbraw/zinc/00/34/76/571003476.db2.gz GCHXZWBNDNLUPQ-NRFANRHFSA-N 1 2 382.464 2.203 50 0 GEAALO O=C(c1cccc(O)c1)N1CCC[C@@]2(CCC(=O)N(CCc3c[nH]c[nH+]3)C2)C1 ZINC000091321691 571003480 /nfs/dbraw/zinc/00/34/80/571003480.db2.gz GCHXZWBNDNLUPQ-NRFANRHFSA-N 1 2 382.464 2.203 50 0 GEAALO O=C(CN1c2ccccc2OCCC1=O)N1CC[NH+](Cc2ccccc2F)CC1 ZINC000012761519 571012014 /nfs/dbraw/zinc/01/20/14/571012014.db2.gz ACPWITQQWKVTAB-UHFFFAOYSA-N 1 2 397.450 2.286 50 0 GEAALO O=C(CCCn1cncn1)N1CCC[C@H](c2[nH+]ccn2Cc2ccncc2)C1 ZINC000091585742 571015369 /nfs/dbraw/zinc/01/53/69/571015369.db2.gz CGZUTBGGSKQEEQ-SFHVURJKSA-N 1 2 379.468 2.104 50 0 GEAALO CC[NH+]1CCN(S(=O)(=O)c2ccc3c(c2)C(=C2CCCC2)C(=O)N3)CC1 ZINC000046053995 571016199 /nfs/dbraw/zinc/01/61/99/571016199.db2.gz ORPIPWMZALYZNC-UHFFFAOYSA-N 1 2 375.494 2.293 50 0 GEAALO Cc1nc2sc3c(c2c(N2CC[NH+](CC(=O)N(C)C)CC2)n1)CC[C@@H](C)C3 ZINC000012768717 571020645 /nfs/dbraw/zinc/02/06/45/571020645.db2.gz AZLCDBZAXDYSPE-CYBMUJFWSA-N 1 2 387.553 2.335 50 0 GEAALO CCc1noc(C[N@@H+]2CCC[C@@]3(CCC(=O)N(Cc4cnc(C)cn4)C3)C2)n1 ZINC000091932071 571036475 /nfs/dbraw/zinc/03/64/75/571036475.db2.gz DVKOFTRRCXUSJI-HXUWFJFHSA-N 1 2 384.484 2.135 50 0 GEAALO CCc1noc(C[N@H+]2CCC[C@@]3(CCC(=O)N(Cc4cnc(C)cn4)C3)C2)n1 ZINC000091932071 571036478 /nfs/dbraw/zinc/03/64/78/571036478.db2.gz DVKOFTRRCXUSJI-HXUWFJFHSA-N 1 2 384.484 2.135 50 0 GEAALO O=C(c1ccc(O)cc1)N1CCC2(CC1)c1[nH+]c[nH]c1CCN2C(=O)C1CC1 ZINC000091986302 571038939 /nfs/dbraw/zinc/03/89/39/571038939.db2.gz ABBLTWAGIZDVQG-UHFFFAOYSA-N 1 2 380.448 2.042 50 0 GEAALO O=C(c1ccncc1)N1CCC2(CCC(=O)N(CCCn3cc[nH+]c3)C2)CC1 ZINC000095355598 571051828 /nfs/dbraw/zinc/05/18/28/571051828.db2.gz CJWXRKQYHQLXFY-UHFFFAOYSA-N 1 2 381.480 2.213 50 0 GEAALO Cc1nnc(CCC(=O)N2CCC[C@@H](c3[nH+]ccn3Cc3cccnc3)C2)[nH]1 ZINC000095366719 571058922 /nfs/dbraw/zinc/05/89/22/571058922.db2.gz GHOYDFCJTKEHNC-QGZVFWFLSA-N 1 2 379.468 2.092 50 0 GEAALO Cc1cccc(Nc2nc(N)nc(C[NH+]3CCC4(CC3)OCCC[C@H]4O)n2)c1 ZINC000095370303 571060689 /nfs/dbraw/zinc/06/06/89/571060689.db2.gz WJVSROWASLELOF-MRXNPFEDSA-N 1 2 384.484 2.012 50 0 GEAALO CC(C)c1cc(C(=O)N2CCC[C@@H](c3nnc(Cn4cc[nH+]c4)n3C)C2)on1 ZINC000095378834 571066088 /nfs/dbraw/zinc/06/60/88/571066088.db2.gz SFJBRYHWJSGSSS-CQSZACIVSA-N 1 2 383.456 2.191 50 0 GEAALO O=S(=O)(CCN1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccn1)C2)c1ccccc1 ZINC000095391913 571073050 /nfs/dbraw/zinc/07/30/50/571073050.db2.gz SPYHAFLNZHCNDY-AZUAARDMSA-N 1 2 385.533 2.452 50 0 GEAALO O=S(=O)(CCN1C[C@H]2CC[C@@H]1C[N@@H+](Cc1ccccn1)C2)c1ccccc1 ZINC000095391913 571073053 /nfs/dbraw/zinc/07/30/53/571073053.db2.gz SPYHAFLNZHCNDY-AZUAARDMSA-N 1 2 385.533 2.452 50 0 GEAALO O=S(=O)(CC[N@@H+]1C[C@H]2CC[C@@H]1CN(Cc1ccccn1)C2)c1ccccc1 ZINC000095391913 571073055 /nfs/dbraw/zinc/07/30/55/571073055.db2.gz SPYHAFLNZHCNDY-AZUAARDMSA-N 1 2 385.533 2.452 50 0 GEAALO O=S(=O)(CC[N@H+]1C[C@H]2CC[C@@H]1CN(Cc1ccccn1)C2)c1ccccc1 ZINC000095391913 571073057 /nfs/dbraw/zinc/07/30/57/571073057.db2.gz SPYHAFLNZHCNDY-AZUAARDMSA-N 1 2 385.533 2.452 50 0 GEAALO CC(=O)N[C@@H]1C[N@@H+](Cc2nc(N)nc(Nc3cccc(C)c3)n2)C[C@H]1C(C)C ZINC000095506821 571079364 /nfs/dbraw/zinc/07/93/64/571079364.db2.gz KUQSIKPZNUJEBD-DLBZAZTESA-N 1 2 383.500 2.098 50 0 GEAALO CC(=O)N[C@@H]1C[N@H+](Cc2nc(N)nc(Nc3cccc(C)c3)n2)C[C@H]1C(C)C ZINC000095506821 571079369 /nfs/dbraw/zinc/07/93/69/571079369.db2.gz KUQSIKPZNUJEBD-DLBZAZTESA-N 1 2 383.500 2.098 50 0 GEAALO CC1CC[NH+](Cc2nnnn2CCCC(=O)N(C)C2CCSCC2)CC1 ZINC000095510754 571082193 /nfs/dbraw/zinc/08/21/93/571082193.db2.gz IQQRUQGPEMMMDF-UHFFFAOYSA-N 1 2 380.562 2.039 50 0 GEAALO Cc1cccc(C(=O)N2CCC3(CC2)c2[nH+]c[nH]c2CCN3C(=O)C2CC2)c1O ZINC000095512940 571083028 /nfs/dbraw/zinc/08/30/28/571083028.db2.gz PUAJRNFWCBUHKC-UHFFFAOYSA-N 1 2 394.475 2.350 50 0 GEAALO NC(=O)Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)CCc2c[nH]c3ccccc23)C1 ZINC000095520667 571086451 /nfs/dbraw/zinc/08/64/51/571086451.db2.gz GHMXTXSPVWOISF-MRXNPFEDSA-N 1 2 379.464 2.189 50 0 GEAALO O=C(c1cn2cccnc2n1)N1CCC(c2[nH+]ccn2Cc2ccccn2)CC1 ZINC000095524286 571089735 /nfs/dbraw/zinc/08/97/35/571089735.db2.gz MVVWZIRQUDELIX-UHFFFAOYSA-N 1 2 387.447 2.389 50 0 GEAALO Cn1cnnc1C[N@@H+]1CCC[C@H](CNC(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000095530010 571092494 /nfs/dbraw/zinc/09/24/94/571092494.db2.gz SCUBOTMZBWYHEI-CYBMUJFWSA-N 1 2 381.402 2.476 50 0 GEAALO Cn1cnnc1C[N@H+]1CCC[C@H](CNC(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000095530010 571092495 /nfs/dbraw/zinc/09/24/95/571092495.db2.gz SCUBOTMZBWYHEI-CYBMUJFWSA-N 1 2 381.402 2.476 50 0 GEAALO O=C(NCCc1c[nH+]c[nH]1)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1 ZINC000095531355 571093218 /nfs/dbraw/zinc/09/32/18/571093218.db2.gz RFJNDCOLGHMHGP-UHFFFAOYSA-N 1 2 382.464 2.162 50 0 GEAALO O=C(NCCc1c[nH]c[nH+]1)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1 ZINC000095531355 571093220 /nfs/dbraw/zinc/09/32/20/571093220.db2.gz RFJNDCOLGHMHGP-UHFFFAOYSA-N 1 2 382.464 2.162 50 0 GEAALO O=C(Nc1cccc(OCC[NH+]2CCOCC2)c1)c1cc(-c2cccnc2)[nH]n1 ZINC000409414558 231204217 /nfs/dbraw/zinc/20/42/17/231204217.db2.gz MOZHKWSHKADSLL-UHFFFAOYSA-N 1 2 393.447 2.435 50 0 GEAALO CC[C@H](C(N)=O)N(C)C(=O)c1csc2c1CC[N@H+](Cc1c(C)noc1C)C2 ZINC000426487999 529628069 /nfs/dbraw/zinc/62/80/69/529628069.db2.gz MJVBIQYNQNJWAL-MRXNPFEDSA-N 1 2 390.509 2.247 50 0 GEAALO CC[C@H](C(N)=O)N(C)C(=O)c1csc2c1CC[N@@H+](Cc1c(C)noc1C)C2 ZINC000426487999 529628071 /nfs/dbraw/zinc/62/80/71/529628071.db2.gz MJVBIQYNQNJWAL-MRXNPFEDSA-N 1 2 390.509 2.247 50 0 GEAALO CCc1ccc(C[N@@H+]2CCc3c(C(=O)N4CCCNC(=O)C4)csc3C2)nc1 ZINC000426700049 529642922 /nfs/dbraw/zinc/64/29/22/529642922.db2.gz NSZHODLLBAGOES-UHFFFAOYSA-N 1 2 398.532 2.226 50 0 GEAALO CCc1ccc(C[N@H+]2CCc3c(C(=O)N4CCCNC(=O)C4)csc3C2)nc1 ZINC000426700049 529642923 /nfs/dbraw/zinc/64/29/23/529642923.db2.gz NSZHODLLBAGOES-UHFFFAOYSA-N 1 2 398.532 2.226 50 0 GEAALO CN(Cc1cc(-c2cccs2)n[nH]1)C(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000426712242 529975081 /nfs/dbraw/zinc/97/50/81/529975081.db2.gz VWDJRUGUAPQJIR-UHFFFAOYSA-N 1 2 377.514 2.390 50 0 GEAALO Cc1noc(C)c1S(=O)(=O)N1CCC[N@H+](C[C@@H]2CC2(Cl)Cl)CC1 ZINC000012862121 531555587 /nfs/dbraw/zinc/55/55/87/531555587.db2.gz VIQNYHDYMXHINA-LBPRGKRZSA-N 1 2 382.313 2.182 50 0 GEAALO Cc1noc(C)c1S(=O)(=O)N1CCC[N@@H+](C[C@@H]2CC2(Cl)Cl)CC1 ZINC000012862121 531555593 /nfs/dbraw/zinc/55/55/93/531555593.db2.gz VIQNYHDYMXHINA-LBPRGKRZSA-N 1 2 382.313 2.182 50 0 GEAALO CCOC(=O)[C@@H]([NH3+])CS[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O ZINC000019939869 531580327 /nfs/dbraw/zinc/58/03/27/531580327.db2.gz JPLJLTKJJCDXKY-RYUDHWBXSA-N 1 2 391.276 2.249 50 0 GEAALO S=C(NCC[NH+]1CCOCC1)Nc1cnn(Cc2cccc(Cl)c2)c1 ZINC000020608537 531583190 /nfs/dbraw/zinc/58/31/90/531583190.db2.gz IVVRFRPXGMMGMX-UHFFFAOYSA-N 1 2 379.917 2.203 50 0 GEAALO COc1ccc(C(=O)N2CC[NH+](Cc3ccco3)CC2)nc1Br ZINC000096005981 531934106 /nfs/dbraw/zinc/93/41/06/531934106.db2.gz FCGILKZZDBVIJK-UHFFFAOYSA-N 1 2 380.242 2.404 50 0 GEAALO CCOC(=O)C1CC[NH+](CC(=O)Nc2c3ccccc3[nH]c2C(=O)OC)CC1 ZINC000004337831 204039818 /nfs/dbraw/zinc/03/98/18/204039818.db2.gz OTGSVURBZRBELN-UHFFFAOYSA-N 1 2 387.436 2.168 50 0 GEAALO COc1ccc([C@H](CNC(=O)c2ccc(S(C)(=O)=O)cc2)[NH+](C)C)cc1 ZINC000003414518 204005871 /nfs/dbraw/zinc/00/58/71/204005871.db2.gz QOOADMZILVVSLS-SFHVURJKSA-N 1 2 376.478 2.131 50 0 GEAALO O=C(NCCCn1cc[nH+]c1)[C@@H]1CC(c2cccc(Br)c2)=NO1 ZINC000004014086 204023838 /nfs/dbraw/zinc/02/38/38/204023838.db2.gz ISJDIZYBKRIQSN-HNNXBMFYSA-N 1 2 377.242 2.345 50 0 GEAALO Cc1[nH+]c2ccccc2n1CCNS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000007674685 204246713 /nfs/dbraw/zinc/24/67/13/204246713.db2.gz SVHRZCGEDGRODI-UHFFFAOYSA-N 1 2 387.461 2.485 50 0 GEAALO CC[N@H+](CC(=O)Nc1ccc(OC)cc1)[C@@H](C)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000007904368 204253565 /nfs/dbraw/zinc/25/35/65/204253565.db2.gz OZCDJOVFCYKTCB-AWEZNQCLSA-N 1 2 398.463 2.082 50 0 GEAALO CC[N@@H+](CC(=O)Nc1ccc(OC)cc1)[C@@H](C)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000007904368 204253569 /nfs/dbraw/zinc/25/35/69/204253569.db2.gz OZCDJOVFCYKTCB-AWEZNQCLSA-N 1 2 398.463 2.082 50 0 GEAALO C[C@H](NC(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000008707921 204284489 /nfs/dbraw/zinc/28/44/89/204284489.db2.gz KTLMLQTZESHIHV-ZYSHUDEJSA-N 1 2 392.459 2.391 50 0 GEAALO Cn1c2cc(S(=O)(=O)Nc3ccc(Cn4cc[nH+]c4)cc3)ccc2oc1=O ZINC000008783454 204289816 /nfs/dbraw/zinc/28/98/16/204289816.db2.gz QQAXQWYXMXCRGP-UHFFFAOYSA-N 1 2 384.417 2.177 50 0 GEAALO O=C(C[NH+]1CCC(n2c(=O)[nH]c3ccccc32)CC1)NCCc1cccs1 ZINC000008981717 204295842 /nfs/dbraw/zinc/29/58/42/204295842.db2.gz JNNJEEKWHPTRHJ-UHFFFAOYSA-N 1 2 384.505 2.387 50 0 GEAALO O=C(/C=C/c1ccc(-n2cc[nH+]c2)cc1)N1CCN(C(=O)c2ccco2)CC1 ZINC000008346072 204272933 /nfs/dbraw/zinc/27/29/33/204272933.db2.gz ULECAFJCVWFHSA-VMPITWQZSA-N 1 2 376.416 2.463 50 0 GEAALO Cc1cc(N2CCOCC2)nc(Nc2ccc(NC(=O)[C@@H]3CCCO3)cc2)[nH+]1 ZINC000009573364 204314906 /nfs/dbraw/zinc/31/49/06/204314906.db2.gz UAQPCJYLVXMEMO-KRWDZBQOSA-N 1 2 383.452 2.483 50 0 GEAALO Cc1cc(N2CCOCC2)nc(Nc2ccc(NC(=O)[C@H]3CCCO3)cc2)[nH+]1 ZINC000009573365 204315707 /nfs/dbraw/zinc/31/57/07/204315707.db2.gz UAQPCJYLVXMEMO-QGZVFWFLSA-N 1 2 383.452 2.483 50 0 GEAALO CC[N@H+](CCCNC(=O)c1c(O)nc2ccccn2c1=O)c1cccc(C)c1 ZINC000009882086 204325663 /nfs/dbraw/zinc/32/56/63/204325663.db2.gz JZPXZMCKDNBSPJ-UHFFFAOYSA-N 1 2 380.448 2.355 50 0 GEAALO CC[N@@H+](CCCNC(=O)c1c(O)nc2ccccn2c1=O)c1cccc(C)c1 ZINC000009882086 204325669 /nfs/dbraw/zinc/32/56/69/204325669.db2.gz JZPXZMCKDNBSPJ-UHFFFAOYSA-N 1 2 380.448 2.355 50 0 GEAALO O=C(C[C@@H]1C(=O)NCC[N@H+]1Cc1ccccc1)NC1C2CC3CC(C2)CC1C3 ZINC000011772536 204352014 /nfs/dbraw/zinc/35/20/14/204352014.db2.gz OEIVNFLCPDTIAS-SPTPYCMISA-N 1 2 381.520 2.318 50 0 GEAALO O=C(C[C@@H]1C(=O)NCC[N@@H+]1Cc1ccccc1)NC1C2CC3CC(C2)CC1C3 ZINC000011772536 204352018 /nfs/dbraw/zinc/35/20/18/204352018.db2.gz OEIVNFLCPDTIAS-SPTPYCMISA-N 1 2 381.520 2.318 50 0 GEAALO CCOC(=O)c1cnn(-c2ccc(C)cc2C)c1C[NH+]1CCC(C(N)=O)CC1 ZINC000012041806 204368626 /nfs/dbraw/zinc/36/86/26/204368626.db2.gz POQUICLSROWXIV-UHFFFAOYSA-N 1 2 384.480 2.363 50 0 GEAALO CC[C@H]1C[N@H+](CC(=O)NCCc2nnc(C)[nH]2)Cc2ccc(Cl)cc2O1 ZINC000012279457 204389216 /nfs/dbraw/zinc/38/92/16/204389216.db2.gz DWPQDHNQHYCFRW-HNNXBMFYSA-N 1 2 377.876 2.098 50 0 GEAALO CC[C@H]1C[N@@H+](CC(=O)NCCc2nnc(C)[nH]2)Cc2ccc(Cl)cc2O1 ZINC000012279457 204389220 /nfs/dbraw/zinc/38/92/20/204389220.db2.gz DWPQDHNQHYCFRW-HNNXBMFYSA-N 1 2 377.876 2.098 50 0 GEAALO CC(C)(CNC(=O)COc1ccc(Br)cc1F)[NH+]1CCOCC1 ZINC000024985313 204827568 /nfs/dbraw/zinc/82/75/68/204827568.db2.gz QLVKWLHSYZCSHL-UHFFFAOYSA-N 1 2 389.265 2.194 50 0 GEAALO CC[C@H](C)[C@@H]1[NH2+]C2(CCN(C(=O)c3ccc4c(c3)OCO4)CC2)N(C2CC2)C1=O ZINC000036028704 205002732 /nfs/dbraw/zinc/00/27/32/205002732.db2.gz CWVZHFAHJITWPO-LIRRHRJNSA-N 1 2 399.491 2.357 50 0 GEAALO Cc1nc(-n2cccn2)cc(N2CCN(C(=O)[C@H](C)Oc3ccccc3)CC2)[nH+]1 ZINC000036705448 205019951 /nfs/dbraw/zinc/01/99/51/205019951.db2.gz BPEMDVGERQJFCM-INIZCTEOSA-N 1 2 392.463 2.087 50 0 GEAALO C[C@@H](CNC(=O)CCS(=O)(=O)C1CCCC1)[N@@H+]1CCc2sccc2C1 ZINC000048188538 205114726 /nfs/dbraw/zinc/11/47/26/205114726.db2.gz RRLPQHKISATJON-AWEZNQCLSA-N 1 2 384.567 2.358 50 0 GEAALO C[C@@H](CNC(=O)CCS(=O)(=O)C1CCCC1)[N@H+]1CCc2sccc2C1 ZINC000048188538 205114730 /nfs/dbraw/zinc/11/47/30/205114730.db2.gz RRLPQHKISATJON-AWEZNQCLSA-N 1 2 384.567 2.358 50 0 GEAALO O=C(NCc1ccccc1Cn1cc[nH+]c1)[C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000048253972 205117367 /nfs/dbraw/zinc/11/73/67/205117367.db2.gz USYKESJIVIIHRG-HXUWFJFHSA-N 1 2 395.507 2.475 50 0 GEAALO COc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)[C@H]2Cc3ccccc3O2)cc1 ZINC000048303334 205117852 /nfs/dbraw/zinc/11/78/52/205117852.db2.gz JZLZAEWQLXEISS-TZIWHRDSSA-N 1 2 382.460 2.188 50 0 GEAALO O=C(C[C@H]1C(=O)NCC[N@H+]1C/C=C/c1ccccc1)NC1Cc2ccccc2C1 ZINC000055211370 205144848 /nfs/dbraw/zinc/14/48/48/205144848.db2.gz IZVZITRXLWHMCM-OUZREKFBSA-N 1 2 389.499 2.174 50 0 GEAALO O=C(C[C@H]1C(=O)NCC[N@@H+]1C/C=C/c1ccccc1)NC1Cc2ccccc2C1 ZINC000055211370 205144853 /nfs/dbraw/zinc/14/48/53/205144853.db2.gz IZVZITRXLWHMCM-OUZREKFBSA-N 1 2 389.499 2.174 50 0 GEAALO COc1ccc(OCCSCC(=O)NCC(C)(C)[NH+]2CCOCC2)cc1 ZINC000050248624 205130204 /nfs/dbraw/zinc/13/02/04/205130204.db2.gz UNPBMWSRBUGGOU-UHFFFAOYSA-N 1 2 382.526 2.034 50 0 GEAALO COc1cc2nc(C[N@H+](C)Cc3ccc4c(c3)OCO4)[nH]c(=O)c2cc1OC ZINC000057754814 205160929 /nfs/dbraw/zinc/16/09/29/205160929.db2.gz LSVMABNJIBGENV-UHFFFAOYSA-N 1 2 383.404 2.301 50 0 GEAALO COc1cc2nc(C[N@@H+](C)Cc3ccc4c(c3)OCO4)[nH]c(=O)c2cc1OC ZINC000057754814 205160934 /nfs/dbraw/zinc/16/09/34/205160934.db2.gz LSVMABNJIBGENV-UHFFFAOYSA-N 1 2 383.404 2.301 50 0 GEAALO CSCc1nc2ccccc2n1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000058338851 205173309 /nfs/dbraw/zinc/17/33/09/205173309.db2.gz ZHYQAEVZAWSPEN-UHFFFAOYSA-N 1 2 376.526 2.126 50 0 GEAALO CS(=O)(=O)NC[C@@H]1CCCC[N@@H+]1Cc1nnc(-c2ccccc2Cl)o1 ZINC000059385087 205177827 /nfs/dbraw/zinc/17/78/27/205177827.db2.gz CLCBGJBRLIBBRY-LBPRGKRZSA-N 1 2 384.889 2.294 50 0 GEAALO CS(=O)(=O)NC[C@@H]1CCCC[N@H+]1Cc1nnc(-c2ccccc2Cl)o1 ZINC000059385087 205177830 /nfs/dbraw/zinc/17/78/30/205177830.db2.gz CLCBGJBRLIBBRY-LBPRGKRZSA-N 1 2 384.889 2.294 50 0 GEAALO Cc1ccc(CN(C)C(=O)C[C@@H]2C(=O)NCC[N@H+]2Cc2cccc(F)c2)cc1 ZINC000064626025 205191794 /nfs/dbraw/zinc/19/17/94/205191794.db2.gz RTUCHIOWFTWFHD-HXUWFJFHSA-N 1 2 383.467 2.483 50 0 GEAALO Cc1ccc(CN(C)C(=O)C[C@@H]2C(=O)NCC[N@@H+]2Cc2cccc(F)c2)cc1 ZINC000064626025 205191798 /nfs/dbraw/zinc/19/17/98/205191798.db2.gz RTUCHIOWFTWFHD-HXUWFJFHSA-N 1 2 383.467 2.483 50 0 GEAALO Cc1ccc(CN(C)C(=O)C[C@H]2C(=O)NCC[N@H+]2Cc2cccc(F)c2)cc1 ZINC000064626027 205192848 /nfs/dbraw/zinc/19/28/48/205192848.db2.gz RTUCHIOWFTWFHD-FQEVSTJZSA-N 1 2 383.467 2.483 50 0 GEAALO Cc1ccc(CN(C)C(=O)C[C@H]2C(=O)NCC[N@@H+]2Cc2cccc(F)c2)cc1 ZINC000064626027 205192851 /nfs/dbraw/zinc/19/28/51/205192851.db2.gz RTUCHIOWFTWFHD-FQEVSTJZSA-N 1 2 383.467 2.483 50 0 GEAALO CC(C)C[NH+]1CCN(S(=O)(=O)c2cc(-c3nnc(C4CC4)o3)co2)CC1 ZINC000065246644 205222520 /nfs/dbraw/zinc/22/25/20/205222520.db2.gz VREKQKHBHZAULJ-UHFFFAOYSA-N 1 2 380.470 2.169 50 0 GEAALO CCN(CC)c1[nH+]cnc2c1cnn2CC(=O)NCc1cc(OC)ccc1OC ZINC000065295993 205227728 /nfs/dbraw/zinc/22/77/28/205227728.db2.gz JHLPLMWPNMNJKM-UHFFFAOYSA-N 1 2 398.467 2.006 50 0 GEAALO CCc1n[nH]cc1C(=O)NCc1cccnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000067561248 205249352 /nfs/dbraw/zinc/24/93/52/205249352.db2.gz PNPFYODAAXZSOP-UHFFFAOYSA-N 1 2 391.479 2.019 50 0 GEAALO CCC(=O)C(=O)NCc1ccc[nH+]c1N1CCN(c2ccccc2OC)CC1 ZINC000067654571 205251817 /nfs/dbraw/zinc/25/18/17/205251817.db2.gz CVEKCJGMDBVCMA-UHFFFAOYSA-N 1 2 382.464 2.012 50 0 GEAALO C[N@H+](Cc1cc(C(=O)NCc2cnn3cccnc23)no1)Cc1ccccc1 ZINC000067713978 205257436 /nfs/dbraw/zinc/25/74/36/205257436.db2.gz MQMYSZNFDGIGTH-UHFFFAOYSA-N 1 2 376.420 2.279 50 0 GEAALO C[N@@H+](Cc1cc(C(=O)NCc2cnn3cccnc23)no1)Cc1ccccc1 ZINC000067713978 205257442 /nfs/dbraw/zinc/25/74/42/205257442.db2.gz MQMYSZNFDGIGTH-UHFFFAOYSA-N 1 2 376.420 2.279 50 0 GEAALO CCc1c[nH+]c(C)nc1N1CCC[C@@H](n2cc(C(=O)NC3CCCC3)nn2)C1 ZINC000067851954 205264338 /nfs/dbraw/zinc/26/43/38/205264338.db2.gz UHYDLSWITWTYTA-QGZVFWFLSA-N 1 2 383.500 2.453 50 0 GEAALO O=C(C[NH+]1CCN(Cc2cscn2)CC1)NC[C@H]1CCCc2ccccc21 ZINC000068333726 205272419 /nfs/dbraw/zinc/27/24/19/205272419.db2.gz YRMFGXKXMVBJHJ-GOSISDBHSA-N 1 2 384.549 2.497 50 0 GEAALO COc1c(C)c[nH+]c(Cn2cccc(-c3nc(-c4cnccn4)no3)c2=O)c1C ZINC000090592139 205273781 /nfs/dbraw/zinc/27/37/81/205273781.db2.gz OIUCYRYZBPXKPP-UHFFFAOYSA-N 1 2 390.403 2.424 50 0 GEAALO O=C(C[N@H+]1CCC[C@H](O)C1)N1CCC(c2[nH]ncc2Cc2ccccc2)CC1 ZINC000067432442 205247312 /nfs/dbraw/zinc/24/73/12/205247312.db2.gz LNYPFGXAIZHFOO-FQEVSTJZSA-N 1 2 382.508 2.163 50 0 GEAALO O=C(C[N@@H+]1CCC[C@H](O)C1)N1CCC(c2[nH]ncc2Cc2ccccc2)CC1 ZINC000067432442 205247314 /nfs/dbraw/zinc/24/73/14/205247314.db2.gz LNYPFGXAIZHFOO-FQEVSTJZSA-N 1 2 382.508 2.163 50 0 GEAALO Cc1nnnn1-c1cccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c1 ZINC000071285231 205280913 /nfs/dbraw/zinc/28/09/13/205280913.db2.gz ULZBPTAFHQAVTB-RMKNXTFCSA-N 1 2 388.475 2.442 50 0 GEAALO CN(C)c1nc(N(C)C)c2c([nH+]1)CN(C(=O)c1ccc(Cl)cc1O)CC2 ZINC000071765462 205294559 /nfs/dbraw/zinc/29/45/59/205294559.db2.gz ZPJNEEQZNKAQLG-UHFFFAOYSA-N 1 2 375.860 2.166 50 0 GEAALO CCC[C@H](NC(=O)Cc1ccccc1)C(=O)NCCc1[nH+]ccn1C(F)F ZINC000069701032 205276156 /nfs/dbraw/zinc/27/61/56/205276156.db2.gz CKOGSBBLRXGAQS-HNNXBMFYSA-N 1 2 378.423 2.465 50 0 GEAALO CCc1ccc(NC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)cc1 ZINC000072116096 205304364 /nfs/dbraw/zinc/30/43/64/205304364.db2.gz OLYJQDAKLWTHEM-UHFFFAOYSA-N 1 2 396.495 2.230 50 0 GEAALO CCc1ccc(NC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)cc1 ZINC000072116096 205304367 /nfs/dbraw/zinc/30/43/67/205304367.db2.gz OLYJQDAKLWTHEM-UHFFFAOYSA-N 1 2 396.495 2.230 50 0 GEAALO COc1ccc(C(=O)N2CCOC[C@@]3(C[N@H+](Cc4ccoc4)CCO3)C2)cc1 ZINC000072146159 205311998 /nfs/dbraw/zinc/31/19/98/205311998.db2.gz JNIRVEXFHSELAW-OAQYLSRUSA-N 1 2 386.448 2.032 50 0 GEAALO COc1ccc(C(=O)N2CCOC[C@@]3(C[N@@H+](Cc4ccoc4)CCO3)C2)cc1 ZINC000072146159 205312000 /nfs/dbraw/zinc/31/20/00/205312000.db2.gz JNIRVEXFHSELAW-OAQYLSRUSA-N 1 2 386.448 2.032 50 0 GEAALO CCC[N@@H+]1CCN(Cc2cccc3c(C)c(C)[nH]c32)[C@H]2CS(=O)(=O)C[C@H]21 ZINC000072435508 205350407 /nfs/dbraw/zinc/35/04/07/205350407.db2.gz KDGFTAACTCVEKV-MOPGFXCFSA-N 1 2 375.538 2.478 50 0 GEAALO CCC[N@H+]1CCN(Cc2cccc3c(C)c(C)[nH]c32)[C@H]2CS(=O)(=O)C[C@H]21 ZINC000072435508 205350410 /nfs/dbraw/zinc/35/04/10/205350410.db2.gz KDGFTAACTCVEKV-MOPGFXCFSA-N 1 2 375.538 2.478 50 0 GEAALO O=C(Nc1ccccc1)[C@H]1C[N@H+](Cc2cnc(-c3ccccn3)nc2)CCO1 ZINC000072420281 205346888 /nfs/dbraw/zinc/34/68/88/205346888.db2.gz PMLREMKFPFHCRH-LJQANCHMSA-N 1 2 375.432 2.378 50 0 GEAALO O=C(Nc1ccccc1)[C@H]1C[N@@H+](Cc2cnc(-c3ccccn3)nc2)CCO1 ZINC000072420281 205346893 /nfs/dbraw/zinc/34/68/93/205346893.db2.gz PMLREMKFPFHCRH-LJQANCHMSA-N 1 2 375.432 2.378 50 0 GEAALO O=C(c1cccc(-n2cnnc2)c1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000082100133 205387612 /nfs/dbraw/zinc/38/76/12/205387612.db2.gz LQYSFDQVKVLQAI-UHFFFAOYSA-N 1 2 377.448 2.104 50 0 GEAALO CCCCCCN1CC2(CCN(C(=O)[C@H](C)[NH+]3CCN(C)CC3)CC2)OC1=O ZINC000077488923 205364397 /nfs/dbraw/zinc/36/43/97/205364397.db2.gz UREPBDHGFUDGPP-SFHVURJKSA-N 1 2 394.560 2.016 50 0 GEAALO O=c1onc(-c2ccccc2)n1C[C@@H](O)C[N@@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000084569314 205395475 /nfs/dbraw/zinc/39/54/75/205395475.db2.gz UHAXHMDIPUCLCE-OALUTQOASA-N 1 2 399.422 2.077 50 0 GEAALO O=c1onc(-c2ccccc2)n1C[C@@H](O)C[N@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000084569314 205395479 /nfs/dbraw/zinc/39/54/79/205395479.db2.gz UHAXHMDIPUCLCE-OALUTQOASA-N 1 2 399.422 2.077 50 0 GEAALO O=C(CC1=CSC2=[NH+]CCCN12)N1CC[C@]2(C1)CCCN(CC1CC1)C2=O ZINC000102074823 205628338 /nfs/dbraw/zinc/62/83/38/205628338.db2.gz OVYHRMMOVXVUPD-FQEVSTJZSA-N 1 2 388.537 2.278 50 0 GEAALO CC(C)S(=O)(=O)c1ccc(CC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000181071183 205824869 /nfs/dbraw/zinc/82/48/69/205824869.db2.gz JXHHMYWIFFTGFV-KRWDZBQOSA-N 1 2 387.505 2.201 50 0 GEAALO CCO[C@H]1C[N@H+](Cc2ccccc2CS(=O)(=O)c2ccccc2)C[C@@H]1O ZINC000223792693 206005422 /nfs/dbraw/zinc/00/54/22/206005422.db2.gz XXPCVGATIPSWDF-PMACEKPBSA-N 1 2 375.490 2.242 50 0 GEAALO CCO[C@H]1C[N@@H+](Cc2ccccc2CS(=O)(=O)c2ccccc2)C[C@@H]1O ZINC000223792693 206005427 /nfs/dbraw/zinc/00/54/27/206005427.db2.gz XXPCVGATIPSWDF-PMACEKPBSA-N 1 2 375.490 2.242 50 0 GEAALO CC(=O)N1CCc2cc([C@@H](O)C[NH+]3CCN(C(=O)OC(C)(C)C)CC3)ccc21 ZINC000094993295 206112894 /nfs/dbraw/zinc/11/28/94/206112894.db2.gz GVVOADBWBCWMJP-IBGZPJMESA-N 1 2 389.496 2.182 50 0 GEAALO COC[C@H](c1ccccn1)[N@H+](C)Cc1cc(=O)n2nc(SC)sc2n1 ZINC000240203805 206127222 /nfs/dbraw/zinc/12/72/22/206127222.db2.gz JTOXEJULUIEFJL-CYBMUJFWSA-N 1 2 377.495 2.087 50 0 GEAALO COC[C@H](c1ccccn1)[N@@H+](C)Cc1cc(=O)n2nc(SC)sc2n1 ZINC000240203805 206127226 /nfs/dbraw/zinc/12/72/26/206127226.db2.gz JTOXEJULUIEFJL-CYBMUJFWSA-N 1 2 377.495 2.087 50 0 GEAALO C[C@H](C[NH+]1CCOCC1)NC(=O)C[C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000240668032 206126667 /nfs/dbraw/zinc/12/66/67/206126667.db2.gz HMAWEWRJQIJFBJ-IAGOWNOFSA-N 1 2 397.560 2.497 50 0 GEAALO CC(=O)N1CCc2cc([C@H](O)C[NH+]3CCN(C(=O)OC(C)(C)C)CC3)ccc21 ZINC000094993294 206112730 /nfs/dbraw/zinc/11/27/30/206112730.db2.gz GVVOADBWBCWMJP-LJQANCHMSA-N 1 2 389.496 2.182 50 0 GEAALO O=C(Nc1ccc(Oc2cc[nH+]cc2)cc1)C(=O)N[C@@H]1CCc2c[nH]nc2C1 ZINC000252537603 206143899 /nfs/dbraw/zinc/14/38/99/206143899.db2.gz LSLBPYXNSCWRFT-OAHLLOKOSA-N 1 2 377.404 2.209 50 0 GEAALO COc1ccc(NC(=O)C[N@@H+]2CCc3nc(C)[nH]c(=O)c3CC2)cc1Cl ZINC000253537317 206149475 /nfs/dbraw/zinc/14/94/75/206149475.db2.gz LZPZLEMSYDBPPI-UHFFFAOYSA-N 1 2 376.844 2.192 50 0 GEAALO COc1ccc(NC(=O)C[N@H+]2CCc3nc(C)[nH]c(=O)c3CC2)cc1Cl ZINC000253537317 206149478 /nfs/dbraw/zinc/14/94/78/206149478.db2.gz LZPZLEMSYDBPPI-UHFFFAOYSA-N 1 2 376.844 2.192 50 0 GEAALO O=C(C[NH+]1CCC(C(=O)NCc2ccccn2)CC1)Nc1ccc(Cl)cn1 ZINC000299776069 206188656 /nfs/dbraw/zinc/18/86/56/206188656.db2.gz KHFZBZNUPCRPJO-UHFFFAOYSA-N 1 2 387.871 2.097 50 0 GEAALO c1nn(-c2ccccc2)cc1C[N@H+]1CCn2nc(CNc3ncccn3)cc2C1 ZINC000299795217 206192643 /nfs/dbraw/zinc/19/26/43/206192643.db2.gz KVYYEMUEEOHEJN-UHFFFAOYSA-N 1 2 386.463 2.487 50 0 GEAALO c1nn(-c2ccccc2)cc1C[N@@H+]1CCn2nc(CNc3ncccn3)cc2C1 ZINC000299795217 206192647 /nfs/dbraw/zinc/19/26/47/206192647.db2.gz KVYYEMUEEOHEJN-UHFFFAOYSA-N 1 2 386.463 2.487 50 0 GEAALO O=C(C[NH+]1CCN(c2ncccn2)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000057693087 136153868 /nfs/dbraw/zinc/15/38/68/136153868.db2.gz WWZZWQQDYLCURQ-UHFFFAOYSA-N 1 2 379.508 2.080 50 0 GEAALO O=C(C[NH+]1CCN(c2ccccc2O)CC1)Nc1ccc2c(c1)OCCCO2 ZINC000058160578 136154668 /nfs/dbraw/zinc/15/46/68/136154668.db2.gz AUTVSIGKZXXQSS-UHFFFAOYSA-N 1 2 383.448 2.314 50 0 GEAALO Cc1nc(NC(=O)[C@H](C)NC(=O)N2CCN(c3cccc[nH+]3)CC2)sc1C ZINC000061717724 136155979 /nfs/dbraw/zinc/15/59/79/136155979.db2.gz ORMFYCSSZCFPGR-ZDUSSCGKSA-N 1 2 388.497 2.014 50 0 GEAALO Cc1sc2c(ncn(C3CC3)c2=O)c1C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000065297545 136162864 /nfs/dbraw/zinc/16/28/64/136162864.db2.gz OXOLZNNTFSJNEU-UHFFFAOYSA-N 1 2 395.488 2.459 50 0 GEAALO Cc1cc(C)n2nc3c(c2n1)[C@@H](c1ccc[nH+]c1N1CCOCC1)CC(=O)N3 ZINC000065406598 136163884 /nfs/dbraw/zinc/16/38/84/136163884.db2.gz SEBLRZTUJILAMB-OAHLLOKOSA-N 1 2 378.436 2.052 50 0 GEAALO COCCn1cc(C(=O)N2CCN(c3cccc[nH+]3)CC2)c2ccccc2c1=O ZINC000072401597 136169321 /nfs/dbraw/zinc/16/93/21/136169321.db2.gz HFPCBTPFHDJDJY-UHFFFAOYSA-N 1 2 392.459 2.005 50 0 GEAALO Cc1c(C[N@@H+]2CCN(c3ccccc3)C(=O)C2)c(=O)n(-c2ccccc2)n1C ZINC000082160416 136174218 /nfs/dbraw/zinc/17/42/18/136174218.db2.gz VTIAHZHUKJKCQW-UHFFFAOYSA-N 1 2 376.460 2.333 50 0 GEAALO Cc1c(C[N@H+]2CCN(c3ccccc3)C(=O)C2)c(=O)n(-c2ccccc2)n1C ZINC000082160416 136174219 /nfs/dbraw/zinc/17/42/19/136174219.db2.gz VTIAHZHUKJKCQW-UHFFFAOYSA-N 1 2 376.460 2.333 50 0 GEAALO NC(=O)Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2ccc(N3CCCCC3)cc2)C1 ZINC000095530775 136182039 /nfs/dbraw/zinc/18/20/39/136182039.db2.gz LSZYTODJJUICQL-SFHVURJKSA-N 1 2 395.507 2.379 50 0 GEAALO CN(C)c1nc(N2CCOCC2)[nH+]cc1NC(=O)COc1ccc(Cl)cc1 ZINC000207982774 136201021 /nfs/dbraw/zinc/20/10/21/136201021.db2.gz QAOWBOTYIQJKKL-UHFFFAOYSA-N 1 2 391.859 2.050 50 0 GEAALO C[C@@H](NC(=O)N1CCN(c2cccc[nH+]2)CC1)C(=O)NCCC1=CCCCC1 ZINC000071328988 222181683 /nfs/dbraw/zinc/18/16/83/222181683.db2.gz VKRNMOTXAJBSJP-QGZVFWFLSA-N 1 2 385.512 2.308 50 0 GEAALO Cc1nc(C[N@H+]2CC[C@@H](NC(=O)c3cn(C)c4ccccc34)[C@H](O)C2)cs1 ZINC000426425200 534364009 /nfs/dbraw/zinc/36/40/09/534364009.db2.gz IGRSSVHPRJVMBI-IEBWSBKVSA-N 1 2 384.505 2.308 50 0 GEAALO Cc1nc(C[N@@H+]2CC[C@@H](NC(=O)c3cn(C)c4ccccc34)[C@H](O)C2)cs1 ZINC000426425200 534364014 /nfs/dbraw/zinc/36/40/14/534364014.db2.gz IGRSSVHPRJVMBI-IEBWSBKVSA-N 1 2 384.505 2.308 50 0 GEAALO Cc1cccc(-n2nnnc2S[C@H](C)C(=O)NCc2c[nH+]cn2C2CC2)c1 ZINC000426368329 534570473 /nfs/dbraw/zinc/57/04/73/534570473.db2.gz QTOJQBGWXQFRDK-CYBMUJFWSA-N 1 2 383.481 2.299 50 0 GEAALO COc1ccc(-c2nnc(CC(=O)N3CCN(c4cccc[nH+]4)CC3)o2)cc1 ZINC000062007221 536527858 /nfs/dbraw/zinc/52/78/58/536527858.db2.gz CBFCRBUUSQLFHM-UHFFFAOYSA-N 1 2 379.420 2.032 50 0 GEAALO COc1cccc(N2CC[NH+]([C@@H]3CC(=O)N(c4ccc(C)cc4)C3=O)CC2)c1 ZINC000096299672 537125026 /nfs/dbraw/zinc/12/50/26/537125026.db2.gz KMVITPHXOAQOEX-HXUWFJFHSA-N 1 2 379.460 2.458 50 0 GEAALO CCn1c(Cn2cc[nH+]c2)nnc1C1CCN(C(=O)c2ccc(OC)o2)CC1 ZINC000096133005 570211483 /nfs/dbraw/zinc/21/14/83/570211483.db2.gz QMAHEYMPRSKFFS-UHFFFAOYSA-N 1 2 384.440 2.164 50 0 GEAALO COc1ccc(OC)c(N2C(=O)C[C@@H]([NH+]3CCN(c4ccccc4)CC3)C2=O)c1 ZINC000019808014 570220759 /nfs/dbraw/zinc/22/07/59/570220759.db2.gz AHYCSVMVFKPRAI-LJQANCHMSA-N 1 2 395.459 2.158 50 0 GEAALO Cc1nc(N2CCc3c(cnc(C)c3-c3noc([C@@H]4CCC(=O)N4)n3)C2)cc[nH+]1 ZINC000019811493 570221293 /nfs/dbraw/zinc/22/12/93/570221293.db2.gz DBWWOMLWDHTDKW-HNNXBMFYSA-N 1 2 391.435 2.052 50 0 GEAALO O=C(NCc1cc[nH+]c(N2CCOCC2)c1)Nc1cccc(N2CCOC2=O)c1 ZINC000048290389 570228765 /nfs/dbraw/zinc/22/87/65/570228765.db2.gz UTJWUWYGQZKDJZ-UHFFFAOYSA-N 1 2 397.435 2.197 50 0 GEAALO COc1cc(C(C)=O)ccc1OC[C@H](O)C[NH+]1CCN(c2ccccc2)CC1 ZINC000019908874 570229291 /nfs/dbraw/zinc/22/92/91/570229291.db2.gz SOYWLRJXLFYDKT-HXUWFJFHSA-N 1 2 384.476 2.460 50 0 GEAALO Cc1ccc(C)n1CC[NH+]1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000019924618 570229766 /nfs/dbraw/zinc/22/97/66/570229766.db2.gz AIPMYKZIXJGOCN-UHFFFAOYSA-N 1 2 383.464 2.390 50 0 GEAALO COC(=O)c1ccc2c(c1)nc(C[N@H+](C)C[C@H]1COc3ccccc3O1)[nH]c2=O ZINC000012818060 570231695 /nfs/dbraw/zinc/23/16/95/570231695.db2.gz VELWKFYIRAAURN-AWEZNQCLSA-N 1 2 395.415 2.394 50 0 GEAALO COC(=O)c1ccc2c(c1)nc(C[N@@H+](C)C[C@H]1COc3ccccc3O1)[nH]c2=O ZINC000012818060 570231698 /nfs/dbraw/zinc/23/16/98/570231698.db2.gz VELWKFYIRAAURN-AWEZNQCLSA-N 1 2 395.415 2.394 50 0 GEAALO CCC(NCCC[NH+]1CCCCC1)=C1C(=O)NC(=O)N(c2ccccc2)C1=O ZINC000020265949 570250643 /nfs/dbraw/zinc/25/06/43/570250643.db2.gz DSORMAIDPKTADA-ISLYRVAYSA-N 1 2 384.480 2.399 50 0 GEAALO O=C(Nc1ccc2c(c1)OCO2)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000020405084 570254403 /nfs/dbraw/zinc/25/44/03/570254403.db2.gz LFCWCQBWNIGBBL-UHFFFAOYSA-N 1 2 383.404 2.494 50 0 GEAALO CCOC(=O)N1CC[NH+](C[C@@H](O)COc2ccc(OC(F)(F)F)cc2)CC1 ZINC000020405945 570254437 /nfs/dbraw/zinc/25/44/37/570254437.db2.gz MPJMPFWQZBTNQB-CYBMUJFWSA-N 1 2 392.374 2.099 50 0 GEAALO Cc1ccc(C(=O)C[C@]2(O)C(=O)N(CN3CC[NH+](C)CC3)c3ccccc32)s1 ZINC000020414385 570254617 /nfs/dbraw/zinc/25/46/17/570254617.db2.gz YQYIXOORMOXMBU-OAQYLSRUSA-N 1 2 399.516 2.069 50 0 GEAALO CCn1cc(C[N@@H+]2C[C@H]3OC(=O)N(CCc4ccc(OC)cc4)[C@H]3C2)c(C)n1 ZINC000020598321 570269227 /nfs/dbraw/zinc/26/92/27/570269227.db2.gz IIVMLXPHLUSTSO-VQTJNVASSA-N 1 2 384.480 2.468 50 0 GEAALO CCn1cc(C[N@H+]2C[C@H]3OC(=O)N(CCc4ccc(OC)cc4)[C@H]3C2)c(C)n1 ZINC000020598321 570269229 /nfs/dbraw/zinc/26/92/29/570269229.db2.gz IIVMLXPHLUSTSO-VQTJNVASSA-N 1 2 384.480 2.468 50 0 GEAALO CC[C@@H](NC(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1)c1nc(C)no1 ZINC000584902745 570272040 /nfs/dbraw/zinc/27/20/40/570272040.db2.gz OXMJXYHOQXCJKT-OAHLLOKOSA-N 1 2 387.440 2.085 50 0 GEAALO C[NH+]1CCN(S(=O)(=O)c2cccc(C(=O)Oc3ccccc3Cl)c2)CC1 ZINC000012898960 570287322 /nfs/dbraw/zinc/28/73/22/570287322.db2.gz YMZOASLOKQSZMQ-UHFFFAOYSA-N 1 2 394.880 2.495 50 0 GEAALO C[N@H+](Cc1noc2c1CCCC2)Cc1ccc(OCC(=O)N2CCOCC2)cc1 ZINC000216008948 570294696 /nfs/dbraw/zinc/29/46/96/570294696.db2.gz QJTIOWQVSHZIIK-UHFFFAOYSA-N 1 2 399.491 2.423 50 0 GEAALO C[N@@H+](Cc1noc2c1CCCC2)Cc1ccc(OCC(=O)N2CCOCC2)cc1 ZINC000216008948 570294697 /nfs/dbraw/zinc/29/46/97/570294697.db2.gz QJTIOWQVSHZIIK-UHFFFAOYSA-N 1 2 399.491 2.423 50 0 GEAALO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 ZINC000012949257 570317699 /nfs/dbraw/zinc/31/76/99/570317699.db2.gz IBFAOTKFMYFRMN-UHFFFAOYSA-N 1 2 390.369 2.345 50 0 GEAALO Cc1ccc(C)c(S(=O)(=O)CC[NH+]2CCC(C(=O)N3CCCC3)CC2)c1 ZINC000012332600 570319242 /nfs/dbraw/zinc/31/92/42/570319242.db2.gz WNWXJYLCZXCFPU-UHFFFAOYSA-N 1 2 378.538 2.412 50 0 GEAALO C[C@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CN1CC[NH+](Cc3ccncc3)CC1)C2=O ZINC000022799106 570328719 /nfs/dbraw/zinc/32/87/19/570328719.db2.gz IZEMNWBWEYKXEP-VGSWGCGISA-N 1 2 399.539 2.294 50 0 GEAALO O=C(CN1CC[NH+](CC(=O)N2CCCC2)CC1)Nc1ccc(Cl)cc1Cl ZINC000022916173 570335171 /nfs/dbraw/zinc/33/51/71/570335171.db2.gz MUGGAOIHEGTNHR-UHFFFAOYSA-N 1 2 399.322 2.172 50 0 GEAALO C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)N1CC[NH+](CC(=O)NC2CC2)CC1 ZINC000022934281 570337604 /nfs/dbraw/zinc/33/76/04/570337604.db2.gz VOTWIGZOACSNAW-GFCCVEGCSA-N 1 2 399.322 2.217 50 0 GEAALO CSc1ncc(CN2CC[N@H+](Cc3ccccc3F)[C@@H](CCO)C2)cn1 ZINC000023146013 570346911 /nfs/dbraw/zinc/34/69/11/570346911.db2.gz FSFXXJZAGZCNAJ-KRWDZBQOSA-N 1 2 376.501 2.406 50 0 GEAALO CSc1ncc(CN2CC[N@@H+](Cc3ccccc3F)[C@@H](CCO)C2)cn1 ZINC000023146013 570346914 /nfs/dbraw/zinc/34/69/14/570346914.db2.gz FSFXXJZAGZCNAJ-KRWDZBQOSA-N 1 2 376.501 2.406 50 0 GEAALO Cc1cnc(NC[C@@H](c2cccnc2)[NH+]2CCOCC2)nc1-c1cnn(C)c1 ZINC000023543322 570365290 /nfs/dbraw/zinc/36/52/90/570365290.db2.gz FQHLLKDPZUONMV-SFHVURJKSA-N 1 2 379.468 2.066 50 0 GEAALO COc1ccc(S(=O)(=O)NCC2([NH+]3CCOCC3)CCCCC2)cc1OC ZINC000023674518 570368882 /nfs/dbraw/zinc/36/88/82/570368882.db2.gz OXOGLSORDASHBK-UHFFFAOYSA-N 1 2 398.525 2.017 50 0 GEAALO O=C(CCn1c(=O)oc2ccccc21)NCc1ccccc1C[NH+]1CCOCC1 ZINC000023732760 570370865 /nfs/dbraw/zinc/37/08/65/570370865.db2.gz MQEMZUUOCZZDDS-UHFFFAOYSA-N 1 2 395.459 2.133 50 0 GEAALO O=C(NCC[NH+]1CCOCC1)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O ZINC000023761326 570371531 /nfs/dbraw/zinc/37/15/31/570371531.db2.gz JCZSVTYBXILODH-FQEVSTJZSA-N 1 2 380.444 2.203 50 0 GEAALO O=C1NC(Cc2ccccc2)(Cc2ccccc2)C(=O)N1C[N@H+]1CCC[C@H](O)C1 ZINC000023763322 570372025 /nfs/dbraw/zinc/37/20/25/570372025.db2.gz HZQNZGPVXNYLFZ-FQEVSTJZSA-N 1 2 393.487 2.177 50 0 GEAALO O=C1NC(Cc2ccccc2)(Cc2ccccc2)C(=O)N1C[N@@H+]1CCC[C@H](O)C1 ZINC000023763322 570372027 /nfs/dbraw/zinc/37/20/27/570372027.db2.gz HZQNZGPVXNYLFZ-FQEVSTJZSA-N 1 2 393.487 2.177 50 0 GEAALO Cn1cc[nH+]c1[C@@H](NC(=O)C[C@H](NC(N)=O)c1ccccc1)c1ccccc1 ZINC000023775939 570372336 /nfs/dbraw/zinc/37/23/36/570372336.db2.gz AVEOLUIXYOBIHE-HKUYNNGSSA-N 1 2 377.448 2.425 50 0 GEAALO COc1cccc([C@H](NC(=O)c2n[nH]c(=O)c3ccccc32)c2[nH+]ccn2C)c1 ZINC000024016976 570376917 /nfs/dbraw/zinc/37/69/17/570376917.db2.gz BQJZHFHVEGOLKX-KRWDZBQOSA-N 1 2 389.415 2.185 50 0 GEAALO Cc1nn(-c2ccccc2)c(C)c1CNC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000032809095 570394416 /nfs/dbraw/zinc/39/44/16/570394416.db2.gz DCTLKGOIQCDDAJ-UHFFFAOYSA-N 1 2 385.512 2.399 50 0 GEAALO COc1ccc(C[NH+]2CCN(Cc3csc(NC(C)=O)n3)CC2)cc1OC ZINC000024971707 570400608 /nfs/dbraw/zinc/40/06/08/570400608.db2.gz PJQMFEOAXWUNFK-UHFFFAOYSA-N 1 2 390.509 2.437 50 0 GEAALO C[C@@H](C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)n1c2ccccc2oc1=O ZINC000012987502 570407707 /nfs/dbraw/zinc/40/77/07/570407707.db2.gz IEHLJVIAMVOWHO-WMZOPIPTSA-N 1 2 395.459 2.173 50 0 GEAALO C[C@@H](C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)n1c2ccccc2oc1=O ZINC000012987502 570407708 /nfs/dbraw/zinc/40/77/08/570407708.db2.gz IEHLJVIAMVOWHO-WMZOPIPTSA-N 1 2 395.459 2.173 50 0 GEAALO O=C(CCN1C(=O)COc2ccccc21)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000012984381 570408234 /nfs/dbraw/zinc/40/82/34/570408234.db2.gz QTUOMNCJBUKPQO-UHFFFAOYSA-N 1 2 380.448 2.114 50 0 GEAALO O=C(NCCCn1cc[nH+]c1)/C(=C/c1cccnc1)NC(=O)c1ccccc1F ZINC000033432223 570408239 /nfs/dbraw/zinc/40/82/39/570408239.db2.gz CMVHMMYYOUBPJG-UYRXBGFRSA-N 1 2 393.422 2.395 50 0 GEAALO O=C(c1cn(CCc2ccccc2)nn1)N1CCC[N@H+](Cc2ccccn2)CC1 ZINC000012448970 570418873 /nfs/dbraw/zinc/41/88/73/570418873.db2.gz ITQWTBBMZAQSRE-UHFFFAOYSA-N 1 2 390.491 2.264 50 0 GEAALO O=C(c1cn(CCc2ccccc2)nn1)N1CCC[N@@H+](Cc2ccccn2)CC1 ZINC000012448970 570418874 /nfs/dbraw/zinc/41/88/74/570418874.db2.gz ITQWTBBMZAQSRE-UHFFFAOYSA-N 1 2 390.491 2.264 50 0 GEAALO COc1ccc(OC)c(C[NH+]2CCN(C(=O)c3ccc(NC(N)=O)cc3)CC2)c1 ZINC000025784824 570419788 /nfs/dbraw/zinc/41/97/88/570419788.db2.gz QGKVTMCEOSHDBA-UHFFFAOYSA-N 1 2 398.463 2.152 50 0 GEAALO CCN1c2ccc(S(=O)(=O)NCCCn3cc[nH+]c3)c3cccc(c23)C1=O ZINC000001795043 570424989 /nfs/dbraw/zinc/42/49/89/570424989.db2.gz PTKSAYXJEVGKJZ-UHFFFAOYSA-N 1 2 384.461 2.385 50 0 GEAALO Cc1ccc(S(=O)(=O)CCC(=O)N2CCC[C@@H](Cn3cc[nH+]c3)C2)cc1 ZINC000222781853 570425595 /nfs/dbraw/zinc/42/55/95/570425595.db2.gz IHMLHOSUHILCMH-KRWDZBQOSA-N 1 2 375.494 2.294 50 0 GEAALO Cc1ccc(-n2c(O)c([C@H]3[NH2+]CCc4c5ccccc5[nH]c43)c(=O)[nH]c2=O)cc1 ZINC000100754585 570440525 /nfs/dbraw/zinc/44/05/25/570440525.db2.gz ACBZHHBZYQWZKB-LJQANCHMSA-N 1 2 388.427 2.256 50 0 GEAALO CCOC(=O)C1=C(C[N@H+](C)CCOc2ccccc2Cl)NC(=O)N[C@H]1C ZINC000029154112 570469196 /nfs/dbraw/zinc/46/91/96/570469196.db2.gz BOZSSMWWRLURMO-LBPRGKRZSA-N 1 2 381.860 2.169 50 0 GEAALO CCOC(=O)C1=C(C[N@@H+](C)CCOc2ccccc2Cl)NC(=O)N[C@H]1C ZINC000029154112 570469200 /nfs/dbraw/zinc/46/92/00/570469200.db2.gz BOZSSMWWRLURMO-LBPRGKRZSA-N 1 2 381.860 2.169 50 0 GEAALO C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(CC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000029675772 570477684 /nfs/dbraw/zinc/47/76/84/570477684.db2.gz UMZFTSQXMLDITC-MRXNPFEDSA-N 1 2 392.931 2.297 50 0 GEAALO C[C@H]1CCCCN1C(=O)C[NH+]1CCN(Cc2nc(-c3ccccc3)no2)CC1 ZINC000029678622 570478194 /nfs/dbraw/zinc/47/81/94/570478194.db2.gz FSKCHXQICTXGEB-KRWDZBQOSA-N 1 2 383.496 2.255 50 0 GEAALO Cc1cc(C)n(-c2ccc(N3CC[NH+]([C@H](C(N)=O)c4ccccc4)CC3)nc2)n1 ZINC000072307797 570525688 /nfs/dbraw/zinc/52/56/88/570525688.db2.gz XHDDQCPHXLSGQQ-NRFANRHFSA-N 1 2 390.491 2.233 50 0 GEAALO O=C(NCc1ccccc1CO)Nc1cnn(Cc2cn3ccccc3[nH+]2)c1 ZINC000072309720 570533081 /nfs/dbraw/zinc/53/30/81/570533081.db2.gz QSWOSFSBOJVLFA-UHFFFAOYSA-N 1 2 376.420 2.393 50 0 GEAALO Cc1ccc(Cl)c(NC(=O)CN2CC[NH+](CC(=O)NC3CC3)CC2)c1Cl ZINC000022912132 570570851 /nfs/dbraw/zinc/57/08/51/570570851.db2.gz KRXJQUXJGNWIQD-UHFFFAOYSA-N 1 2 399.322 2.137 50 0 GEAALO Cc1ccc(OCC[N@H+]2CCn3nc([C@H](O)c4ccnn4C)cc3C2)cc1C ZINC000230500737 570668980 /nfs/dbraw/zinc/66/89/80/570668980.db2.gz NVIZKNCVVGLKFQ-NRFANRHFSA-N 1 2 381.480 2.210 50 0 GEAALO Cc1ccc(OCC[N@@H+]2CCn3nc([C@H](O)c4ccnn4C)cc3C2)cc1C ZINC000230500737 570668984 /nfs/dbraw/zinc/66/89/84/570668984.db2.gz NVIZKNCVVGLKFQ-NRFANRHFSA-N 1 2 381.480 2.210 50 0 GEAALO COc1ccc2cc([C@@H](C)NC(=O)Cn3nnnc3C[NH+]3CCCC3)ccc2c1 ZINC000012704597 570700085 /nfs/dbraw/zinc/70/00/85/570700085.db2.gz KFRZBJUFLPBDCG-OAHLLOKOSA-N 1 2 394.479 2.308 50 0 GEAALO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)Nc2nc3ccccc3s2)CC1 ZINC000012794301 570715224 /nfs/dbraw/zinc/71/52/24/570715224.db2.gz KFWCJCXQKBZSGB-UHFFFAOYSA-N 1 2 394.464 2.327 50 0 GEAALO COc1ccc(C[N@@H+]2CCNC(=O)[C@@H]2CC(=O)NCc2ccc(C)cc2)cc1C ZINC000015071347 570723808 /nfs/dbraw/zinc/72/38/08/570723808.db2.gz KTFAMDSHVNVXFM-FQEVSTJZSA-N 1 2 395.503 2.319 50 0 GEAALO COc1ccc(C[N@H+]2CCNC(=O)[C@@H]2CC(=O)NCc2ccc(C)cc2)cc1C ZINC000015071347 570723809 /nfs/dbraw/zinc/72/38/09/570723809.db2.gz KTFAMDSHVNVXFM-FQEVSTJZSA-N 1 2 395.503 2.319 50 0 GEAALO CCNS(=O)(=O)c1cccc(C(=O)Nc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000025172375 570739688 /nfs/dbraw/zinc/73/96/88/570739688.db2.gz BZENSLXAXMHMFX-UHFFFAOYSA-N 1 2 384.461 2.482 50 0 GEAALO NS(=O)(=O)c1ccc(NC(=O)C[N@@H+]2CCC[C@H]2c2ccc(F)cc2)cc1 ZINC000025442976 570752204 /nfs/dbraw/zinc/75/22/04/570752204.db2.gz PGFPJMYBRWKZPS-KRWDZBQOSA-N 1 2 377.441 2.249 50 0 GEAALO NS(=O)(=O)c1ccc(NC(=O)C[N@H+]2CCC[C@H]2c2ccc(F)cc2)cc1 ZINC000025442976 570752208 /nfs/dbraw/zinc/75/22/08/570752208.db2.gz PGFPJMYBRWKZPS-KRWDZBQOSA-N 1 2 377.441 2.249 50 0 GEAALO COc1cccc(CN(CCC[NH+]2CCOCC2)C(=S)NC2CC2)c1OC ZINC000013693222 570776295 /nfs/dbraw/zinc/77/62/95/570776295.db2.gz GWIMUYPRJMIMFN-UHFFFAOYSA-N 1 2 393.553 2.265 50 0 GEAALO CC[C@]1([NH+]2CCN(C(=O)c3ccc(Cl)s3)CC2)CCN(C(=O)NC)C1 ZINC000065292057 570784805 /nfs/dbraw/zinc/78/48/05/570784805.db2.gz FWYVFVRUGISCKX-KRWDZBQOSA-N 1 2 384.933 2.353 50 0 GEAALO COCCNC(=O)C[NH2+][C@@H](C(=O)Nc1cc(C)ccc1OC)c1ccccc1 ZINC000014023493 570815499 /nfs/dbraw/zinc/81/54/99/570815499.db2.gz JILGJMPPVRQHJW-HXUWFJFHSA-N 1 2 385.464 2.036 50 0 GEAALO Cc1ccc2[nH+]c(CN3C(=O)N[C@@](C)(c4ccc5c(c4)OCCO5)C3=O)cn2c1 ZINC000012507067 570822624 /nfs/dbraw/zinc/82/26/24/570822624.db2.gz WQQGPQCQPMZDOD-NRFANRHFSA-N 1 2 392.415 2.381 50 0 GEAALO C[NH+]1CCN(S(=O)(=O)c2ccc(Sc3ccc(F)c(F)c3)nc2)CC1 ZINC000012509211 570824393 /nfs/dbraw/zinc/82/43/93/570824393.db2.gz KPVVWITWGVZKDZ-UHFFFAOYSA-N 1 2 385.461 2.447 50 0 GEAALO CCc1ccccc1N1C[C@H](C(=O)N2CCN(c3cccc[nH+]3)CC2)CC1=O ZINC000014165175 570825674 /nfs/dbraw/zinc/82/56/74/570825674.db2.gz SEZKBIKDDNXKEJ-GOSISDBHSA-N 1 2 378.476 2.346 50 0 GEAALO CC(=O)Nc1cccc(NC(=O)C(=O)NCC2CCN(c3cccc[nH+]3)CC2)c1 ZINC000043941398 570842443 /nfs/dbraw/zinc/84/24/43/570842443.db2.gz HCMNNWSUDRDPHC-UHFFFAOYSA-N 1 2 395.463 2.011 50 0 GEAALO O=C(CN1CC[NH+](CC(=O)N2CCCC2)CC1)Nc1cccc(Cl)c1Cl ZINC000022934439 570843168 /nfs/dbraw/zinc/84/31/68/570843168.db2.gz JJVRPEZVOWHASS-UHFFFAOYSA-N 1 2 399.322 2.172 50 0 GEAALO C[C@H](NC(=O)CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000102835366 570866701 /nfs/dbraw/zinc/86/67/01/570866701.db2.gz KTLMLQTZESHIHV-SNRMKQJTSA-N 1 2 392.459 2.391 50 0 GEAALO Cn1cc[nH+]c1[C@H](NC(=O)c1cnc2ccccn2c1=O)c1ccc(F)cc1 ZINC000032900274 570894170 /nfs/dbraw/zinc/89/41/70/570894170.db2.gz CRLXHPLGAKFJQA-QGZVFWFLSA-N 1 2 377.379 2.087 50 0 GEAALO C[C@@H]1C[NH+](CCNC(=O)c2cnn(Cc3ccccc3Cl)c2)C[C@@H](C)O1 ZINC000032903664 570900287 /nfs/dbraw/zinc/90/02/87/570900287.db2.gz BPDYPXRHGFHSBQ-HUUCEWRRSA-N 1 2 376.888 2.424 50 0 GEAALO Cc1ccc(-c2noc([C@H](C)N3CC[NH+](CCc4nnc(N)s4)CC3)n2)cc1 ZINC000089642547 570907905 /nfs/dbraw/zinc/90/79/05/570907905.db2.gz PYVBFMIRLFOIEC-AWEZNQCLSA-N 1 2 399.524 2.400 50 0 GEAALO Cc1ccc(-c2noc([C@@H](C)N3CC[NH+](CCc4nnc(N)s4)CC3)n2)cc1 ZINC000089642546 570907948 /nfs/dbraw/zinc/90/79/48/570907948.db2.gz PYVBFMIRLFOIEC-CQSZACIVSA-N 1 2 399.524 2.400 50 0 GEAALO Cn1nc(-c2cccc(C(=O)NCC[NH+]3CCOCC3)c2)c2cc(F)ccc21 ZINC000534656745 570915860 /nfs/dbraw/zinc/91/58/60/570915860.db2.gz SHDNQLOIGRDIDL-UHFFFAOYSA-N 1 2 382.439 2.441 50 0 GEAALO C[C@H](C[NH+]1CCOCC1)NC(=O)N(CCCO)Cc1cccc2ccccc21 ZINC000534649310 570917815 /nfs/dbraw/zinc/91/78/15/570917815.db2.gz LRIKURURQFTHMB-GOSISDBHSA-N 1 2 385.508 2.455 50 0 GEAALO C[C@@H]1CN(CC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)NC(=O)OC(C)(C)C)C[C@H](C)O1 ZINC000076093269 570920863 /nfs/dbraw/zinc/92/08/63/570920863.db2.gz NKZJNMBPSKWRBZ-WNKDZCFJSA-N 1 2 385.549 2.098 50 0 GEAALO C[C@@H]1CN(CC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)NC(=O)OC(C)(C)C)C[C@H](C)O1 ZINC000076093269 570920867 /nfs/dbraw/zinc/92/08/67/570920867.db2.gz NKZJNMBPSKWRBZ-WNKDZCFJSA-N 1 2 385.549 2.098 50 0 GEAALO O=C(NCCn1cc[nH+]c1)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000032916046 570927312 /nfs/dbraw/zinc/92/73/12/570927312.db2.gz HEEJQBNMFKUFTQ-UHFFFAOYSA-N 1 2 388.424 2.253 50 0 GEAALO COc1cccc(N2C(=O)C[C@H]([NH+]3CCN(c4ccc(F)cc4)CC3)C2=O)c1 ZINC000018250393 570951991 /nfs/dbraw/zinc/95/19/91/570951991.db2.gz VLVLSVBURIHAPW-IBGZPJMESA-N 1 2 383.423 2.288 50 0 GEAALO O=C(c1cn(CC[NH+]2CCOCC2)nn1)N1CCCC[C@H]1c1cccc(F)c1 ZINC000019299749 570973719 /nfs/dbraw/zinc/97/37/19/570973719.db2.gz WNNKFBLLFVPWFV-IBGZPJMESA-N 1 2 387.459 2.117 50 0 GEAALO O=C(C[NH+]1CCC(N2CC(=O)N(CC(F)(F)F)C2=O)CC1)c1ccccc1 ZINC000585148548 570982226 /nfs/dbraw/zinc/98/22/26/570982226.db2.gz ZBMCLAVVOUHQBO-UHFFFAOYSA-N 1 2 383.370 2.160 50 0 GEAALO CCC(=O)N1CCc2[nH]c[nH+]c2C12CCN(C(=O)c1cccn1C1CC1)CC2 ZINC000091320783 571003604 /nfs/dbraw/zinc/00/36/04/571003604.db2.gz LCGGOVYCTLZNKI-UHFFFAOYSA-N 1 2 381.480 2.472 50 0 GEAALO COc1ccc(C)cc1C(=O)N1CCC2(CC1)c1[nH+]c[nH]c1CCN2C(C)=O ZINC000091364441 571004646 /nfs/dbraw/zinc/00/46/46/571004646.db2.gz BJDNWKAKLAGXOZ-UHFFFAOYSA-N 1 2 382.464 2.263 50 0 GEAALO Cn1cc(CCC(=O)N2CCC[C@H](c3[nH+]ccn3Cc3cccnc3)C2)cn1 ZINC000091441239 571008330 /nfs/dbraw/zinc/00/83/30/571008330.db2.gz CDZOBHUZFFHZIU-IBGZPJMESA-N 1 2 378.480 2.399 50 0 GEAALO CCc1ocnc1C(=O)N1CCC[C@]2(CCC(=O)N(CCc3c[nH+]c[nH]3)C2)C1 ZINC000091468232 571009713 /nfs/dbraw/zinc/00/97/13/571009713.db2.gz LIJSODDRUOFJEK-HXUWFJFHSA-N 1 2 385.468 2.048 50 0 GEAALO CCc1ocnc1C(=O)N1CCC[C@]2(CCC(=O)N(CCc3c[nH]c[nH+]3)C2)C1 ZINC000091468232 571009714 /nfs/dbraw/zinc/00/97/14/571009714.db2.gz LIJSODDRUOFJEK-HXUWFJFHSA-N 1 2 385.468 2.048 50 0 GEAALO CS[C@@H](C)C(=O)N1CCC2(CC1)c1[nH+]c[nH]c1CCN2C(=O)C1CCC1 ZINC000091548717 571013790 /nfs/dbraw/zinc/01/37/90/571013790.db2.gz QIMJUTOHBWKIGK-ZDUSSCGKSA-N 1 2 376.526 2.164 50 0 GEAALO CCS[C@H](C)C(=O)N1CCC2(CC1)c1[nH+]c[nH]c1CCN2C(=O)C1CC1 ZINC000091563202 571014992 /nfs/dbraw/zinc/01/49/92/571014992.db2.gz ATVHKRHJUOYCSG-CYBMUJFWSA-N 1 2 376.526 2.164 50 0 GEAALO Cc1ccc(C(=O)N2CCC[C@@]3(CCC(=O)N(CCc4c[nH+]c[nH]4)C3)C2)cn1 ZINC000091643384 571020854 /nfs/dbraw/zinc/02/08/54/571020854.db2.gz CZVVUWDZQHTFDH-NRFANRHFSA-N 1 2 381.480 2.201 50 0 GEAALO Cc1ccc(C(=O)N2CCC[C@@]3(CCC(=O)N(CCc4c[nH]c[nH+]4)C3)C2)cn1 ZINC000091643384 571020857 /nfs/dbraw/zinc/02/08/57/571020857.db2.gz CZVVUWDZQHTFDH-NRFANRHFSA-N 1 2 381.480 2.201 50 0 GEAALO CCN(CCc1[nH]c2ccc(OC)cc2[nH+]1)C(=O)[C@H]1CCC(=O)N(C2CC2)C1 ZINC000091829141 571032407 /nfs/dbraw/zinc/03/24/07/571032407.db2.gz LYJFNQDGTKVXAE-AWEZNQCLSA-N 1 2 384.480 2.364 50 0 GEAALO CCCSCC(=O)N1CCC[C@]2(CCC(=O)N(CCc3c[nH+]c[nH]3)C2)C1 ZINC000091846994 571033341 /nfs/dbraw/zinc/03/33/41/571033341.db2.gz XRYXPKWXYDQYCW-IBGZPJMESA-N 1 2 378.542 2.327 50 0 GEAALO CCCSCC(=O)N1CCC[C@]2(CCC(=O)N(CCc3c[nH]c[nH+]3)C2)C1 ZINC000091846994 571033344 /nfs/dbraw/zinc/03/33/44/571033344.db2.gz XRYXPKWXYDQYCW-IBGZPJMESA-N 1 2 378.542 2.327 50 0 GEAALO CC(C)SCC(=O)N1CCC2(CC1)c1[nH+]c[nH]c1CCN2C(=O)C1CC1 ZINC000091951024 571037520 /nfs/dbraw/zinc/03/75/20/571037520.db2.gz GOXUODUKDBUYEH-UHFFFAOYSA-N 1 2 376.526 2.164 50 0 GEAALO Cn1nc(C(=O)N2CCN(c3cccc[nH+]3)CC2)c2c1-c1ccccc1OC2 ZINC000015674139 571041291 /nfs/dbraw/zinc/04/12/91/571041291.db2.gz ZJLIZEPWMMKZAZ-UHFFFAOYSA-N 1 2 375.432 2.337 50 0 GEAALO Cc1nc(C)c(C(=O)N2CCC[C@H](c3nnc(Cn4cc[nH+]c4)n3C)C2)s1 ZINC000095360345 571054568 /nfs/dbraw/zinc/05/45/68/571054568.db2.gz RCIICWHTDAJTOQ-AWEZNQCLSA-N 1 2 385.497 2.153 50 0 GEAALO O=C([O-])[C@H](c1ccc2c(c1)OCCO2)[NH+]1CCC([NH+]2CCSCC2)CC1 ZINC000095388057 571071207 /nfs/dbraw/zinc/07/12/07/571071207.db2.gz PVKZYFBJPLUVLC-SFHVURJKSA-N 1 2 378.494 2.097 50 0 GEAALO CC(C)=CCN1C(=O)[C@H]2CC[C@@H]1C[N@@H+](CCS(=O)(=O)c1ccccc1)C2 ZINC000095389273 571072075 /nfs/dbraw/zinc/07/20/75/571072075.db2.gz FAIFIYDVZHXRDJ-ZWKOTPCHSA-N 1 2 376.522 2.349 50 0 GEAALO CC(C)=CCN1C(=O)[C@H]2CC[C@@H]1C[N@H+](CCS(=O)(=O)c1ccccc1)C2 ZINC000095389273 571072078 /nfs/dbraw/zinc/07/20/78/571072078.db2.gz FAIFIYDVZHXRDJ-ZWKOTPCHSA-N 1 2 376.522 2.349 50 0 GEAALO COc1ccc(S(=O)(=O)NC[C@H]2CCC[N@H+](Cc3nccs3)C2)cc1 ZINC000095500429 571076007 /nfs/dbraw/zinc/07/60/07/571076007.db2.gz NATABWVHLQYWBA-CQSZACIVSA-N 1 2 381.523 2.342 50 0 GEAALO COc1ccc(S(=O)(=O)NC[C@H]2CCC[N@@H+](Cc3nccs3)C2)cc1 ZINC000095500429 571076009 /nfs/dbraw/zinc/07/60/09/571076009.db2.gz NATABWVHLQYWBA-CQSZACIVSA-N 1 2 381.523 2.342 50 0 GEAALO COc1ccc(C(=O)N2CCC3(CC2)c2[nH+]c[nH]c2CCN3C(=O)C2CC2)cc1 ZINC000095501468 571076832 /nfs/dbraw/zinc/07/68/32/571076832.db2.gz LKKWXCAOQOJLBY-UHFFFAOYSA-N 1 2 394.475 2.345 50 0 GEAALO CC(C)n1cc[nH+]c1[C@@H]1CCCN(C(=O)c2ccc(-n3cnnn3)cc2O)C1 ZINC000095512065 571082584 /nfs/dbraw/zinc/08/25/84/571082584.db2.gz NYAOUPYQCSWCQS-CQSZACIVSA-N 1 2 381.440 2.165 50 0 GEAALO Cn1cc(CCC(=O)N2CCC[C@@H](c3[nH+]ccn3Cc3cscn3)C2)cn1 ZINC000095512490 571082888 /nfs/dbraw/zinc/08/28/88/571082888.db2.gz TZEHRRCFZBGVQV-MRXNPFEDSA-N 1 2 384.509 2.460 50 0 GEAALO O=C(CCCn1cncn1)N1CCC[C@H](c2[nH+]ccn2Cc2ccccn2)C1 ZINC000095512528 571083006 /nfs/dbraw/zinc/08/30/06/571083006.db2.gz MKLJZXAKBWKLNV-KRWDZBQOSA-N 1 2 379.468 2.104 50 0 GEAALO O=C(NC[C@@H]1CCC[N@H+](Cc2nc3ncccn3n2)C1)c1cc2ccccc2[nH]1 ZINC000095516515 571084039 /nfs/dbraw/zinc/08/40/39/571084039.db2.gz XTJLYWJYTVCHEJ-HNNXBMFYSA-N 1 2 389.463 2.248 50 0 GEAALO O=C(NC[C@@H]1CCC[N@@H+](Cc2nc3ncccn3n2)C1)c1cc2ccccc2[nH]1 ZINC000095516515 571084042 /nfs/dbraw/zinc/08/40/42/571084042.db2.gz XTJLYWJYTVCHEJ-HNNXBMFYSA-N 1 2 389.463 2.248 50 0 GEAALO Cc1cc(NC(=O)N2CCN(CC[NH+]3CCOCC3)CC2)c(Cl)cc1F ZINC000095519018 571085693 /nfs/dbraw/zinc/08/56/93/571085693.db2.gz NHVMHGJYAIPUKV-UHFFFAOYSA-N 1 2 384.883 2.269 50 0 GEAALO Cc1cc(NC(=O)N2CC[NH+](CCN3CCOCC3)CC2)c(Cl)cc1F ZINC000095519018 571085694 /nfs/dbraw/zinc/08/56/94/571085694.db2.gz NHVMHGJYAIPUKV-UHFFFAOYSA-N 1 2 384.883 2.269 50 0 GEAALO O=C(NCCC[N@@H+]1CCNC(=O)C1)c1ccc(-c2cccc3cc[nH]c32)cc1 ZINC000426552385 231241171 /nfs/dbraw/zinc/24/11/71/231241171.db2.gz VGSKUQZZQVPTIP-UHFFFAOYSA-N 1 2 376.460 2.387 50 0 GEAALO O=C(NCCC[N@H+]1CCNC(=O)C1)c1ccc(-c2cccc3cc[nH]c32)cc1 ZINC000426552385 231241174 /nfs/dbraw/zinc/24/11/74/231241174.db2.gz VGSKUQZZQVPTIP-UHFFFAOYSA-N 1 2 376.460 2.387 50 0 GEAALO COCc1cc(CNC(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)n[nH]1 ZINC000426589949 231243627 /nfs/dbraw/zinc/24/36/27/231243627.db2.gz ITLJOISGMLSRHM-UHFFFAOYSA-N 1 2 375.448 2.113 50 0 GEAALO COCc1cc(CNC(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)n[nH]1 ZINC000426589949 231243628 /nfs/dbraw/zinc/24/36/28/231243628.db2.gz ITLJOISGMLSRHM-UHFFFAOYSA-N 1 2 375.448 2.113 50 0 GEAALO CCc1ccc(C[N@@H+]2CCc3c(C(=O)N4CCC[C@H]4C(N)=O)csc3C2)nc1 ZINC000426510118 529643203 /nfs/dbraw/zinc/64/32/03/529643203.db2.gz KMYFIFDCBHCIDK-SFHVURJKSA-N 1 2 398.532 2.354 50 0 GEAALO CCc1ccc(C[N@H+]2CCc3c(C(=O)N4CCC[C@H]4C(N)=O)csc3C2)nc1 ZINC000426510118 529643207 /nfs/dbraw/zinc/64/32/07/529643207.db2.gz KMYFIFDCBHCIDK-SFHVURJKSA-N 1 2 398.532 2.354 50 0 GEAALO CCc1ccc(C[N@@H+]2CCc3c(C(=O)NC[C@H](O)COC)csc3C2)nc1 ZINC000426517947 529644158 /nfs/dbraw/zinc/64/41/58/529644158.db2.gz OLIYDQPENMPUMS-INIZCTEOSA-N 1 2 389.521 2.001 50 0 GEAALO CCc1ccc(C[N@H+]2CCc3c(C(=O)NC[C@H](O)COC)csc3C2)nc1 ZINC000426517947 529644160 /nfs/dbraw/zinc/64/41/60/529644160.db2.gz OLIYDQPENMPUMS-INIZCTEOSA-N 1 2 389.521 2.001 50 0 GEAALO CCc1ccc(C[N@@H+]2CCc3c(C(=O)NCCn4cncn4)csc3C2)nc1 ZINC000426669005 529645057 /nfs/dbraw/zinc/64/50/57/529645057.db2.gz LDXGBEISJRMOBZ-UHFFFAOYSA-N 1 2 396.520 2.285 50 0 GEAALO CCc1ccc(C[N@H+]2CCc3c(C(=O)NCCn4cncn4)csc3C2)nc1 ZINC000426669005 529645059 /nfs/dbraw/zinc/64/50/59/529645059.db2.gz LDXGBEISJRMOBZ-UHFFFAOYSA-N 1 2 396.520 2.285 50 0 GEAALO CC[NH+]1CCN([C@H](C)CS(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000019826893 531581240 /nfs/dbraw/zinc/58/12/40/531581240.db2.gz QXNAALRTYDCOJY-CYBMUJFWSA-N 1 2 375.332 2.249 50 0 GEAALO COC(=O)[C@@H]1C[C@H](Oc2ccc(Br)cc2Br)C[NH2+]1 ZINC000042783169 531672477 /nfs/dbraw/zinc/67/24/77/531672477.db2.gz JYPNDUGYDTUNBQ-WPRPVWTQSA-N 1 2 379.048 2.494 50 0 GEAALO Cc1ccc(S(=O)(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)s1 ZINC000056997572 531817248 /nfs/dbraw/zinc/81/72/48/531817248.db2.gz HIQOXASARZHIRK-UHFFFAOYSA-N 1 2 383.514 2.296 50 0 GEAALO Cn1c2ccccc2nc1-n1ncc(NCCCn2cc[nH+]c2)c(Cl)c1=O ZINC000005452477 204133429 /nfs/dbraw/zinc/13/34/29/204133429.db2.gz JQAYYBCEQCKYBH-UHFFFAOYSA-N 1 2 383.843 2.471 50 0 GEAALO CC[N@H+](CCCNC(=O)Cn1nc(C)n2cccc2c1=O)c1cccc(C)c1 ZINC000006780700 204204346 /nfs/dbraw/zinc/20/43/46/204204346.db2.gz KKSBNYODKGVJLL-UHFFFAOYSA-N 1 2 381.480 2.146 50 0 GEAALO CC[N@@H+](CCCNC(=O)Cn1nc(C)n2cccc2c1=O)c1cccc(C)c1 ZINC000006780700 204204350 /nfs/dbraw/zinc/20/43/50/204204350.db2.gz KKSBNYODKGVJLL-UHFFFAOYSA-N 1 2 381.480 2.146 50 0 GEAALO C[C@@H](Oc1ccc2c3c(c(=O)oc2c1)CCC3)C(=O)NCCCn1cc[nH+]c1 ZINC000006660165 204188785 /nfs/dbraw/zinc/18/87/85/204188785.db2.gz YQLOIKCTLJJKPE-CQSZACIVSA-N 1 2 381.432 2.452 50 0 GEAALO O=C(COc1ccc2c(c1)oc(=O)c1c2CCCC1)NCCCn1cc[nH+]c1 ZINC000006659691 204189051 /nfs/dbraw/zinc/18/90/51/204189051.db2.gz DCHWNTMHTJGZDE-UHFFFAOYSA-N 1 2 381.432 2.454 50 0 GEAALO COC(=O)c1c(NC(=O)C[NH+]2CCC3(CC2)OCCO3)sc2c1CCCC2 ZINC000006726001 204195752 /nfs/dbraw/zinc/19/57/52/204195752.db2.gz UFUCBNJHDFQOHB-UHFFFAOYSA-N 1 2 394.493 2.191 50 0 GEAALO O=c1cc(-c2ccccc2)nc(N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)[nH]1 ZINC000008619708 204281773 /nfs/dbraw/zinc/28/17/73/204281773.db2.gz NTHYBWJROXDHMN-UHFFFAOYSA-N 1 2 390.443 2.488 50 0 GEAALO O=C(Cn1c2ccccc2[nH+]c1NCCO)Nc1ccc2c(c1)OCCCO2 ZINC000008012935 204259233 /nfs/dbraw/zinc/25/92/33/204259233.db2.gz CGVRETDXQHJRKS-UHFFFAOYSA-N 1 2 382.420 2.241 50 0 GEAALO O=C(C[NH+]1CCN(Cc2nc3ccccc3[nH]2)CC1)NCc1ccc(F)cc1 ZINC000035598315 204273918 /nfs/dbraw/zinc/27/39/18/204273918.db2.gz BUVMETRGCVJOSB-UHFFFAOYSA-N 1 2 381.455 2.136 50 0 GEAALO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(CC(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000036798012 204331470 /nfs/dbraw/zinc/33/14/70/204331470.db2.gz XCKUJRKAFVVLEJ-LBPRGKRZSA-N 1 2 399.322 2.217 50 0 GEAALO O=S(=O)(NC[C@@H]1CCC[N@H+](Cc2cc[nH]n2)C1)c1cccc2cccnc21 ZINC000011753781 204352713 /nfs/dbraw/zinc/35/27/13/204352713.db2.gz SBVBGRQUXSVVHJ-HNNXBMFYSA-N 1 2 385.493 2.148 50 0 GEAALO O=S(=O)(NC[C@@H]1CCC[N@@H+](Cc2cc[nH]n2)C1)c1cccc2cccnc21 ZINC000011753781 204352716 /nfs/dbraw/zinc/35/27/16/204352716.db2.gz SBVBGRQUXSVVHJ-HNNXBMFYSA-N 1 2 385.493 2.148 50 0 GEAALO COc1ccc(C(=O)NC2CC2)cc1OC1CC[NH+](Cc2nccn2C)CC1 ZINC000011819582 204354938 /nfs/dbraw/zinc/35/49/38/204354938.db2.gz FSIKDQDGAHQDAT-UHFFFAOYSA-N 1 2 384.480 2.364 50 0 GEAALO COc1ccccc1NC(=O)NCc1ccc[nH+]c1N1CCN(C(C)=O)CC1 ZINC000011955618 204364184 /nfs/dbraw/zinc/36/41/84/204364184.db2.gz CAMWEMSGGBXIPR-UHFFFAOYSA-N 1 2 383.452 2.080 50 0 GEAALO COc1ccc(CC(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1F ZINC000014119457 204523308 /nfs/dbraw/zinc/52/33/08/204523308.db2.gz FEAATZVWCYERHH-UHFFFAOYSA-N 1 2 386.423 2.450 50 0 GEAALO CC[C@H](C)[C@H]1[NH2+]C2(CCN(C(=O)c3ccc4c(c3)OCO4)CC2)N(C2CC2)C1=O ZINC000036028702 205002642 /nfs/dbraw/zinc/00/26/42/205002642.db2.gz CWVZHFAHJITWPO-IFXJQAMLSA-N 1 2 399.491 2.357 50 0 GEAALO CCn1cc(C[N@@H+]2CCN(Cc3ccc(OC)cc3F)[C@H](CCO)C2)cn1 ZINC000039420750 205041756 /nfs/dbraw/zinc/04/17/56/205041756.db2.gz QIPKKKSLVFBLEZ-GOSISDBHSA-N 1 2 376.476 2.120 50 0 GEAALO CCn1cc(C[N@H+]2CCN(Cc3ccc(OC)cc3F)[C@H](CCO)C2)cn1 ZINC000039420750 205041760 /nfs/dbraw/zinc/04/17/60/205041760.db2.gz QIPKKKSLVFBLEZ-GOSISDBHSA-N 1 2 376.476 2.120 50 0 GEAALO C[C@H](c1nc(C(C)(C)C)no1)N1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1 ZINC000036392067 205016262 /nfs/dbraw/zinc/01/62/62/205016262.db2.gz OJVYNDJWBWGFFZ-HZPDHXFCSA-N 1 2 377.533 2.447 50 0 GEAALO CCn1cc(CN2CC[N@H+](Cc3ccc(OC)cc3F)[C@H](CCO)C2)cn1 ZINC000039420750 205041763 /nfs/dbraw/zinc/04/17/63/205041763.db2.gz QIPKKKSLVFBLEZ-GOSISDBHSA-N 1 2 376.476 2.120 50 0 GEAALO CCn1cc(CN2CC[N@@H+](Cc3ccc(OC)cc3F)[C@H](CCO)C2)cn1 ZINC000039420750 205041767 /nfs/dbraw/zinc/04/17/67/205041767.db2.gz QIPKKKSLVFBLEZ-GOSISDBHSA-N 1 2 376.476 2.120 50 0 GEAALO Cc1cccc(Oc2cc(N3CCN(CC[NH+]4CCOCC4)CC3)ncn2)c1 ZINC000037623496 205029235 /nfs/dbraw/zinc/02/92/35/205029235.db2.gz FWRZHLLEWAADEW-UHFFFAOYSA-N 1 2 383.496 2.032 50 0 GEAALO COc1ccccc1NC(=O)N1CCN(c2cc(N3CCCC3)[nH+]cn2)CC1 ZINC000038528329 205038032 /nfs/dbraw/zinc/03/80/32/205038032.db2.gz ODDCHJIDLIGDHI-UHFFFAOYSA-N 1 2 382.468 2.440 50 0 GEAALO COc1ccccc1NC(=O)N1CCN(c2cc(N3CCCC3)nc[nH+]2)CC1 ZINC000038528329 205038036 /nfs/dbraw/zinc/03/80/36/205038036.db2.gz ODDCHJIDLIGDHI-UHFFFAOYSA-N 1 2 382.468 2.440 50 0 GEAALO O=C(NCc1cc[nH+]c(N2CCCC2)c1)[C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000042494312 205079283 /nfs/dbraw/zinc/07/92/83/205079283.db2.gz GTLYUWXYNQTSMD-GOSISDBHSA-N 1 2 385.512 2.226 50 0 GEAALO CCOC(=O)N1CC[NH+]([C@H]2CCCN(C(=O)c3ccccc3N(C)C)C2)CC1 ZINC000055197553 205144816 /nfs/dbraw/zinc/14/48/16/205144816.db2.gz AHUMLFKMFGPCHM-KRWDZBQOSA-N 1 2 388.512 2.131 50 0 GEAALO CC1CCN(S(=O)(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)CC1 ZINC000056121388 205152246 /nfs/dbraw/zinc/15/22/46/205152246.db2.gz KRERCYNILPOUMC-UHFFFAOYSA-N 1 2 387.496 2.496 50 0 GEAALO COC(=O)C1C(C[NH+]2CCSCC2)=NC(=O)N[C@H]1c1cccc(Cl)c1 ZINC000057415056 205157114 /nfs/dbraw/zinc/15/71/14/205157114.db2.gz PEQABFUUVMVKDA-HNNXBMFYSA-N 1 2 381.885 2.170 50 0 GEAALO CSc1ccc([C@@H]2NC(=O)NC3=C2C(=O)N(CCCn2cc[nH+]c2)C3)cc1 ZINC000057531483 205160161 /nfs/dbraw/zinc/16/01/61/205160161.db2.gz APWSQVJSRVSEFU-KRWDZBQOSA-N 1 2 383.477 2.146 50 0 GEAALO CN(C)S(=O)(=O)CCCSc1[nH+]cnc2c1cnn2-c1ccc(F)cc1 ZINC000057747122 205161032 /nfs/dbraw/zinc/16/10/32/205161032.db2.gz NLSXYVSMOLTKPJ-UHFFFAOYSA-N 1 2 395.485 2.328 50 0 GEAALO O=C(c1ccc[nH]c1=O)N1CCC[N@H+](Cn2c3ccccc3oc2=S)CC1 ZINC000058438164 205177515 /nfs/dbraw/zinc/17/75/15/205177515.db2.gz HLNGYAXVXPCLFM-UHFFFAOYSA-N 1 2 384.461 2.458 50 0 GEAALO O=C(c1ccc[nH]c1=O)N1CCC[N@@H+](Cn2c3ccccc3oc2=S)CC1 ZINC000058438164 205177519 /nfs/dbraw/zinc/17/75/19/205177519.db2.gz HLNGYAXVXPCLFM-UHFFFAOYSA-N 1 2 384.461 2.458 50 0 GEAALO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)CC1 ZINC000060093177 205179921 /nfs/dbraw/zinc/17/99/21/205179921.db2.gz UJPGDBPGKVIKHY-QGZVFWFLSA-N 1 2 389.540 2.422 50 0 GEAALO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)CC1 ZINC000060093177 205179925 /nfs/dbraw/zinc/17/99/25/205179925.db2.gz UJPGDBPGKVIKHY-QGZVFWFLSA-N 1 2 389.540 2.422 50 0 GEAALO Cc1ccc(CNC(=O)c2ccc3c(c2)nnn3CC[NH+]2CCOCC2)cc1 ZINC000065255174 205223238 /nfs/dbraw/zinc/22/32/38/205223238.db2.gz DIVUZHRVYFFVKZ-UHFFFAOYSA-N 1 2 379.464 2.002 50 0 GEAALO COc1ccc(Cl)cc1C(=O)N1CCN(C2=NC=CN3C[C@H](C)[NH+]=C23)CC1 ZINC000065265312 205225311 /nfs/dbraw/zinc/22/53/11/205225311.db2.gz SPYPMMGFHPBNSN-ZDUSSCGKSA-N 1 2 387.871 2.092 50 0 GEAALO O=C(C[NH+]1CCN(Cc2cscn2)CC1)NC[C@@H]1CCCc2ccccc21 ZINC000065952543 205239148 /nfs/dbraw/zinc/23/91/48/205239148.db2.gz YRMFGXKXMVBJHJ-SFHVURJKSA-N 1 2 384.549 2.497 50 0 GEAALO CCOC(=O)C1=C(C[NH+]2CCSCC2)NC(=O)N[C@H]1c1ccc(F)c(F)c1 ZINC000067285990 205244226 /nfs/dbraw/zinc/24/42/26/205244226.db2.gz ARXLXWPKHQUBCY-INIZCTEOSA-N 1 2 397.447 2.185 50 0 GEAALO Cc1ccccc1N1CCN(c2[nH+]cccc2CNC(=O)[C@@H](O)C(C)C)CC1 ZINC000067561149 205249218 /nfs/dbraw/zinc/24/92/18/205249218.db2.gz WYWVPJKZWOVSGX-FQEVSTJZSA-N 1 2 382.508 2.350 50 0 GEAALO CC[N@H+](Cc1cccc(C(=O)Nc2nccs2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000067641765 205252544 /nfs/dbraw/zinc/25/25/44/205252544.db2.gz UESMUYUHPZWRSY-OAHLLOKOSA-N 1 2 379.507 2.404 50 0 GEAALO CC[N@@H+](Cc1cccc(C(=O)Nc2nccs2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000067641765 205252548 /nfs/dbraw/zinc/25/25/48/205252548.db2.gz UESMUYUHPZWRSY-OAHLLOKOSA-N 1 2 379.507 2.404 50 0 GEAALO Cc1nn2c(nc(C[N@@H+]3CCc4[nH]nc(-c5ccccc5F)c4C3)cc2=O)[nH]1 ZINC000067743543 205259450 /nfs/dbraw/zinc/25/94/50/205259450.db2.gz BZIAYYJRDKDMOU-UHFFFAOYSA-N 1 2 379.399 2.226 50 0 GEAALO Cc1nn2c(nc(C[N@H+]3CCc4[nH]nc(-c5ccccc5F)c4C3)cc2=O)[nH]1 ZINC000067743543 205259454 /nfs/dbraw/zinc/25/94/54/205259454.db2.gz BZIAYYJRDKDMOU-UHFFFAOYSA-N 1 2 379.399 2.226 50 0 GEAALO Cc1cc2[nH+]cn(Cc3cc(C(=O)N[C@@H](C)c4nncn4C)[nH]n3)c2cc1C ZINC000067908158 205267043 /nfs/dbraw/zinc/26/70/43/205267043.db2.gz XXYNZZLIRYBRHD-ZDUSSCGKSA-N 1 2 378.440 2.044 50 0 GEAALO O=C(NCCCc1ccccc1)N1CCCSC[C@H]1C[NH+]1CCOCC1 ZINC000090609207 205275280 /nfs/dbraw/zinc/27/52/80/205275280.db2.gz NCALSIUIYFIWEV-LJQANCHMSA-N 1 2 377.554 2.469 50 0 GEAALO O=C(N[C@H]1CCC[N@H+](Cc2ccccn2)C1)c1cc(=O)c2cccc(F)c2[nH]1 ZINC000072134528 205308280 /nfs/dbraw/zinc/30/82/80/205308280.db2.gz IFDXFPYWOZBYBV-HNNXBMFYSA-N 1 2 380.423 2.457 50 0 GEAALO O=C(N[C@H]1CCC[N@@H+](Cc2ccccn2)C1)c1cc(=O)c2cccc(F)c2[nH]1 ZINC000072134528 205308285 /nfs/dbraw/zinc/30/82/85/205308285.db2.gz IFDXFPYWOZBYBV-HNNXBMFYSA-N 1 2 380.423 2.457 50 0 GEAALO O=C(Nc1cc(F)cc(F)c1)N1CCN(c2cc(-n3cc[nH+]c3)ncn2)CC1 ZINC000072139290 205309482 /nfs/dbraw/zinc/30/94/82/205309482.db2.gz BTQDWXGRQRPJMU-UHFFFAOYSA-N 1 2 385.378 2.295 50 0 GEAALO C/C=C/CC(=O)N1CCn2nc(C[N@H+](C)Cc3ccc4nonc4c3)cc2C1 ZINC000072432843 205350792 /nfs/dbraw/zinc/35/07/92/205350792.db2.gz TXISZYDXLGKANP-ONEGZZNKSA-N 1 2 380.452 2.360 50 0 GEAALO C/C=C/CC(=O)N1CCn2nc(C[N@@H+](C)Cc3ccc4nonc4c3)cc2C1 ZINC000072432843 205350796 /nfs/dbraw/zinc/35/07/96/205350796.db2.gz TXISZYDXLGKANP-ONEGZZNKSA-N 1 2 380.452 2.360 50 0 GEAALO CCn1ccnc1C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(OC)cc2)C1 ZINC000077370093 205360675 /nfs/dbraw/zinc/36/06/75/205360675.db2.gz MAMOYBXAFGPJQQ-MRXNPFEDSA-N 1 2 392.525 2.102 50 0 GEAALO CCn1ccnc1C[N@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(OC)cc2)C1 ZINC000077370093 205360679 /nfs/dbraw/zinc/36/06/79/205360679.db2.gz MAMOYBXAFGPJQQ-MRXNPFEDSA-N 1 2 392.525 2.102 50 0 GEAALO CCC[C@@H](C)N1CC2(CCN(C(=O)C(C)(C)[NH+]3CCOCC3)CC2)OC1=O ZINC000077427470 205362942 /nfs/dbraw/zinc/36/29/42/205362942.db2.gz ARSVUHAWZDAHOX-MRXNPFEDSA-N 1 2 381.517 2.099 50 0 GEAALO COc1ccc(C[N@@H+]2CCO[C@H](C(=O)NC3Cc4ccccc4C3)C2)cc1C ZINC000072420411 205349224 /nfs/dbraw/zinc/34/92/24/205349224.db2.gz RSMXMVRAZLTXRI-QFIPXVFZSA-N 1 2 380.488 2.488 50 0 GEAALO COc1ccc(C[N@H+]2CCO[C@H](C(=O)NC3Cc4ccccc4C3)C2)cc1C ZINC000072420411 205349228 /nfs/dbraw/zinc/34/92/28/205349228.db2.gz RSMXMVRAZLTXRI-QFIPXVFZSA-N 1 2 380.488 2.488 50 0 GEAALO O=C(c1ccco1)N1CC[NH+](C[C@@H](O)COCc2ccc(Cl)cc2)CC1 ZINC000084429439 205393865 /nfs/dbraw/zinc/39/38/65/205393865.db2.gz MRWMOTYUFQPHAB-QGZVFWFLSA-N 1 2 378.856 2.269 50 0 GEAALO O=S(=O)(c1cccc(-n2cnnn2)c1)N(Cc1ccccc1)c1cc[nH+]cc1 ZINC000079110923 205382428 /nfs/dbraw/zinc/38/24/28/205382428.db2.gz YQOVILLNUWZOFD-UHFFFAOYSA-N 1 2 392.444 2.453 50 0 GEAALO C[C@H]1C[N@H+](Cc2ccccn2)CCN1C(=O)c1cn(Cc2cccc(F)c2)nn1 ZINC000225384448 206045668 /nfs/dbraw/zinc/04/56/68/206045668.db2.gz MWLYFCRRZSUJLF-INIZCTEOSA-N 1 2 394.454 2.207 50 0 GEAALO C[C@H]1C[N@@H+](Cc2ccccn2)CCN1C(=O)c1cn(Cc2cccc(F)c2)nn1 ZINC000225384448 206045673 /nfs/dbraw/zinc/04/56/73/206045673.db2.gz MWLYFCRRZSUJLF-INIZCTEOSA-N 1 2 394.454 2.207 50 0 GEAALO O=C(NCCc1c[nH+]c[nH]1)c1nnn(-c2ccccc2F)c1-c1ccncc1 ZINC000225584624 206058215 /nfs/dbraw/zinc/05/82/15/206058215.db2.gz OWYOKCBNZJMDRY-UHFFFAOYSA-N 1 2 377.383 2.164 50 0 GEAALO O=C(NCCc1c[nH]c[nH+]1)c1nnn(-c2ccccc2F)c1-c1ccncc1 ZINC000225584624 206058220 /nfs/dbraw/zinc/05/82/20/206058220.db2.gz OWYOKCBNZJMDRY-UHFFFAOYSA-N 1 2 377.383 2.164 50 0 GEAALO COc1c2c(c(NS(=O)(=O)c3ccccc3)c3c1C[N@H+](C)CC3)OCO2 ZINC000032123873 206089734 /nfs/dbraw/zinc/08/97/34/206089734.db2.gz GYLKAUCGYCOWSY-UHFFFAOYSA-N 1 2 376.434 2.213 50 0 GEAALO COc1c2c(c(NS(=O)(=O)c3ccccc3)c3c1C[N@@H+](C)CC3)OCO2 ZINC000032123873 206089737 /nfs/dbraw/zinc/08/97/37/206089737.db2.gz GYLKAUCGYCOWSY-UHFFFAOYSA-N 1 2 376.434 2.213 50 0 GEAALO C[C@H](C(=O)Nc1ccccc1)N1CC[NH+](CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000229702099 206107286 /nfs/dbraw/zinc/10/72/86/206107286.db2.gz ZTPDAUIPLYYBIG-GUDVDZBRSA-N 1 2 386.540 2.136 50 0 GEAALO C[C@H](CC(=O)N[C@@H](C)C[NH+]1CCOCC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000240668037 206126577 /nfs/dbraw/zinc/12/65/77/206126577.db2.gz HMAWEWRJQIJFBJ-SJORKVTESA-N 1 2 397.560 2.497 50 0 GEAALO O=C(NCCc1c[nH+]c[nH]1)[C@H]1CC(=O)N(c2ccc(OC(F)(F)F)cc2)C1 ZINC000253413454 206144833 /nfs/dbraw/zinc/14/48/33/206144833.db2.gz UUXZKKAJOPDXBB-NSHDSACASA-N 1 2 382.342 2.020 50 0 GEAALO O=C(NCCc1c[nH]c[nH+]1)[C@H]1CC(=O)N(c2ccc(OC(F)(F)F)cc2)C1 ZINC000253413454 206144838 /nfs/dbraw/zinc/14/48/38/206144838.db2.gz UUXZKKAJOPDXBB-NSHDSACASA-N 1 2 382.342 2.020 50 0 GEAALO Cc1nc2cc(C(=O)N[C@H]3C[C@H](c4nnc(C[NH+](C)C)n4C)C3)ccc2s1 ZINC000244659506 206129492 /nfs/dbraw/zinc/12/94/92/206129492.db2.gz HDXNHEPMBKWRFK-HDJSIYSDSA-N 1 2 384.509 2.471 50 0 GEAALO Cc1ccc(C[N@@H+]2CCNC(=O)[C@@H]2CC(=O)NCc2ccc3cc[nH]c3c2)o1 ZINC000252479920 206137387 /nfs/dbraw/zinc/13/73/87/206137387.db2.gz BPYWWLXALCQGJA-IBGZPJMESA-N 1 2 380.448 2.076 50 0 GEAALO Cc1ccc(C[N@H+]2CCNC(=O)[C@@H]2CC(=O)NCc2ccc3cc[nH]c3c2)o1 ZINC000252479920 206137392 /nfs/dbraw/zinc/13/73/92/206137392.db2.gz BPYWWLXALCQGJA-IBGZPJMESA-N 1 2 380.448 2.076 50 0 GEAALO COc1cccc([C@H](O)CNc2[nH+]cnc3c2c(Br)nn3C)c1 ZINC000253420209 206148223 /nfs/dbraw/zinc/14/82/23/206148223.db2.gz XVVABLUMJKTKIA-LLVKDONJSA-N 1 2 378.230 2.280 50 0 GEAALO COc1ccc(Cl)cc1NC(=O)N1CCCO[C@H](C[NH+]2CCOCC2)C1 ZINC000299758033 206184798 /nfs/dbraw/zinc/18/47/98/206184798.db2.gz KHTRFLUHPOUTGW-OAHLLOKOSA-N 1 2 383.876 2.304 50 0 GEAALO CS(=O)(=O)c1ccc(C2(C(=O)NCCn3cc[nH+]c3)CCCCC2)cc1 ZINC000299762808 206187098 /nfs/dbraw/zinc/18/70/98/206187098.db2.gz YKAOMDIWZDUQRH-UHFFFAOYSA-N 1 2 375.494 2.305 50 0 GEAALO COc1cccc(CC2=NO[C@H](C(=O)N3CCN(c4cccc[nH+]4)CC3)C2)c1 ZINC000299801401 206193893 /nfs/dbraw/zinc/19/38/93/206193893.db2.gz YCEZYZXXCDRVLJ-IBGZPJMESA-N 1 2 380.448 2.126 50 0 GEAALO Cc1ccccc1N1CC[NH+](CC(=O)NC[C@@H]2COc3ccccc3O2)CC1 ZINC000057798791 136153980 /nfs/dbraw/zinc/15/39/80/136153980.db2.gz KRERAUQVPXXWMW-GOSISDBHSA-N 1 2 381.476 2.073 50 0 GEAALO COc1ccccc1NC(=O)c1cn(-c2cc(N3CCSCC3)[nH+]cn2)cn1 ZINC000065239977 136161159 /nfs/dbraw/zinc/16/11/59/136161159.db2.gz LQVSBQGWRNGFAX-UHFFFAOYSA-N 1 2 396.476 2.476 50 0 GEAALO Cc1ccc(-c2cn(CC(=O)N3CCN(c4cccc[nH+]4)CC3)c(=O)o2)cc1 ZINC000065255547 136161882 /nfs/dbraw/zinc/16/18/82/136161882.db2.gz QUVOHAFEJWLVOE-UHFFFAOYSA-N 1 2 378.432 2.161 50 0 GEAALO Cc1nn(C)c(C)c1CCCN(C)C(=O)CCc1cc[nH+]c(N2CCOCC2)c1 ZINC000065269849 136162218 /nfs/dbraw/zinc/16/22/18/136162218.db2.gz SJPVFMNBYJXABU-UHFFFAOYSA-N 1 2 399.539 2.292 50 0 GEAALO Cc1[nH+]cn(-c2cc(N3CCN(C(=O)c4cccc(F)c4)CC3)ncn2)c1C ZINC000072437475 136170689 /nfs/dbraw/zinc/17/06/89/136170689.db2.gz YOWXXAWWSGCOLD-UHFFFAOYSA-N 1 2 380.427 2.381 50 0 GEAALO Cc1[nH+]cn(-c2cc(N3CCN(C(=O)c4ccccc4F)CC3)ncn2)c1C ZINC000072441313 136170989 /nfs/dbraw/zinc/17/09/89/136170989.db2.gz OISXVEUCDRJTIG-UHFFFAOYSA-N 1 2 380.427 2.381 50 0 GEAALO O=C(NCCNc1cc(N2CCOCC2)nc[nH+]1)c1cccc(C(F)(F)F)c1 ZINC000082230559 136174498 /nfs/dbraw/zinc/17/44/98/136174498.db2.gz QEJGTCRKUVTGAF-UHFFFAOYSA-N 1 2 395.385 2.174 50 0 GEAALO O=C(NCCNc1cc(N2CCOCC2)[nH+]cn1)c1cccc(C(F)(F)F)c1 ZINC000082230559 136174499 /nfs/dbraw/zinc/17/44/99/136174499.db2.gz QEJGTCRKUVTGAF-UHFFFAOYSA-N 1 2 395.385 2.174 50 0 GEAALO Cc1ccc(-c2ncc(C(=O)N3CCN(c4cccc[nH+]4)CC3)c(=O)[nH]2)cc1 ZINC000091859449 136177316 /nfs/dbraw/zinc/17/73/16/136177316.db2.gz OOYJGHGXNXGFHY-UHFFFAOYSA-N 1 2 375.432 2.103 50 0 GEAALO O=c1[nH]nc(C[NH2+]C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)[nH]1 ZINC000095391699 136179005 /nfs/dbraw/zinc/17/90/05/136179005.db2.gz VSIHBQWTAAUUAD-UHFFFAOYSA-N 1 2 376.770 2.336 50 0 GEAALO C[C@H]1Oc2ccc(NC(=O)N3CC[NH+](Cc4ccco4)CC3)cc2N(C)C1=O ZINC000096148389 136184578 /nfs/dbraw/zinc/18/45/78/136184578.db2.gz MONPRRLGGDUIAE-CQSZACIVSA-N 1 2 384.436 2.373 50 0 GEAALO Cc1noc(C)c1C[NH+]1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 ZINC000097054117 136188091 /nfs/dbraw/zinc/18/80/91/136188091.db2.gz CCHLZHFVQMPTNE-UHFFFAOYSA-N 1 2 381.362 2.070 50 0 GEAALO C[C@@H]1CN(c2[nH+]cnc3c2cnn3CCNC(=O)c2ccc(F)cc2)C[C@@H](C)O1 ZINC000011665952 136199664 /nfs/dbraw/zinc/19/96/64/136199664.db2.gz SDAOSCGRYBGPHD-ZIAGYGMSSA-N 1 2 398.442 2.009 50 0 GEAALO O=C1C[C@@H]([NH+]2CCN(c3ccccc3F)CC2)C(=O)N1CCc1ccccc1 ZINC000025461598 221630351 /nfs/dbraw/zinc/63/03/51/221630351.db2.gz HAPHJWCJLGTMHB-HXUWFJFHSA-N 1 2 381.451 2.318 50 0 GEAALO COc1ccc(C)c(N2C(=O)C[C@H]([NH+]3CCN(c4ccccc4)CC3)C2=O)c1 ZINC000000780012 523796487 /nfs/dbraw/zinc/79/64/87/523796487.db2.gz SVOKXHPRLRJHSM-FQEVSTJZSA-N 1 2 379.460 2.458 50 0 GEAALO CC(=O)Nc1cccc2c1ccn2CC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000096116632 534763640 /nfs/dbraw/zinc/76/36/40/534763640.db2.gz LEUVLKLSJIJLBE-UHFFFAOYSA-N 1 2 377.448 2.344 50 0 GEAALO Cc1ccc(Cn2ncc3c2nc(C)cc3C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000040009456 524776363 /nfs/dbraw/zinc/77/63/63/524776363.db2.gz HDHLKBXFXBZFSS-UHFFFAOYSA-N 1 2 393.491 2.158 50 0 GEAALO CC(C)c1[nH+]c2ccccc2n1CC(=O)N1CCC[C@H](CS(C)(=O)=O)C1 ZINC000426381832 528329894 /nfs/dbraw/zinc/32/98/94/528329894.db2.gz XSBGSJYLJSXGNR-HNNXBMFYSA-N 1 2 377.510 2.443 50 0 GEAALO O=C(c1ccccn1)N1CCC(c2nnc(Cn3cc[nH+]c3)n2C2CC2)CC1 ZINC000096135748 570211851 /nfs/dbraw/zinc/21/18/51/570211851.db2.gz DLJSXIOBCITCCV-UHFFFAOYSA-N 1 2 377.452 2.273 50 0 GEAALO C[NH+]1CCN(c2nc(=O)c3c4c(sc3[nH]2)CN(Cc2ccccc2)CC4)CC1 ZINC000000634206 570212432 /nfs/dbraw/zinc/21/24/32/570212432.db2.gz IKIXLYCSYBBGMI-UHFFFAOYSA-N 1 2 395.532 2.295 50 0 GEAALO O=C(NCc1ccc[nH+]c1N1CCOCC1)Nc1ccc(N2CCCC2)nc1 ZINC000048084442 570218543 /nfs/dbraw/zinc/21/85/43/570218543.db2.gz NTEFKWZNDLWTCO-UHFFFAOYSA-N 1 2 382.468 2.235 50 0 GEAALO O=C(NCc1cc[nH+]c(N2CCOCC2)c1)Nc1cccc(-n2cccn2)c1 ZINC000048290102 570228948 /nfs/dbraw/zinc/22/89/48/570228948.db2.gz KMXTVQSHIPTFCG-UHFFFAOYSA-N 1 2 378.436 2.426 50 0 GEAALO COc1cc([C@@H]2C(C(N)=O)=C(C)[NH+]=C3N=CNN32)ccc1OCc1ccccc1 ZINC000000956651 570231535 /nfs/dbraw/zinc/23/15/35/570231535.db2.gz JDYOKVUCPKLNTK-LJQANCHMSA-N 1 2 391.431 2.293 50 0 GEAALO C[N@H+](CCc1ccccc1)Cc1cnc(S(C)(=O)=O)n1C[C@H]1CCCO1 ZINC000020166633 570245538 /nfs/dbraw/zinc/24/55/38/570245538.db2.gz HGLYSCFBAPGHTB-GOSISDBHSA-N 1 2 377.510 2.140 50 0 GEAALO C[N@@H+](CCc1ccccc1)Cc1cnc(S(C)(=O)=O)n1C[C@H]1CCCO1 ZINC000020166633 570245540 /nfs/dbraw/zinc/24/55/40/570245540.db2.gz HGLYSCFBAPGHTB-GOSISDBHSA-N 1 2 377.510 2.140 50 0 GEAALO COc1cc(-n2cnnn2)ccc1NC(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000097716920 570251307 /nfs/dbraw/zinc/25/13/07/570251307.db2.gz AWVFTNLEJGITEJ-INIZCTEOSA-N 1 2 384.444 2.104 50 0 GEAALO C[NH+]1CCN(C2(CNC(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)CCCCC2)CC1 ZINC000020412648 570254805 /nfs/dbraw/zinc/25/48/05/570254805.db2.gz GGVIQCRHQGEBKH-LJQANCHMSA-N 1 2 398.551 2.106 50 0 GEAALO O=C(NCC1CCC(c2[nH]c3ccccc3[nH+]2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000097775408 570255254 /nfs/dbraw/zinc/25/52/54/570255254.db2.gz ONGRTGGQOKMFBQ-YMAMQOFZSA-N 1 2 375.494 2.388 50 0 GEAALO O=C(NCCC[NH+]1CCOCC1)c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000020668319 570255388 /nfs/dbraw/zinc/25/53/88/570255388.db2.gz QHPZAYAQXNPQCW-UHFFFAOYSA-N 1 2 384.358 2.208 50 0 GEAALO CC1(C)CC(=O)c2c(nc(N3CC[NH+](CCO)CC3)nc2Nc2ccccc2)C1 ZINC000020503107 570264724 /nfs/dbraw/zinc/26/47/24/570264724.db2.gz ZINRFOXVEGQARQ-UHFFFAOYSA-N 1 2 395.507 2.490 50 0 GEAALO C[C@H](O)CNc1nc2nnnn2c2sc3c(c21)CC[N@@H+](Cc1ccccc1)C3 ZINC000020517605 570264825 /nfs/dbraw/zinc/26/48/25/570264825.db2.gz APFGNGMSDHXFON-LBPRGKRZSA-N 1 2 395.492 2.085 50 0 GEAALO C[C@H](O)CNc1nc2nnnn2c2sc3c(c21)CC[N@H+](Cc1ccccc1)C3 ZINC000020517605 570264827 /nfs/dbraw/zinc/26/48/27/570264827.db2.gz APFGNGMSDHXFON-LBPRGKRZSA-N 1 2 395.492 2.085 50 0 GEAALO O=C(CNC(=O)N1CCN(c2cccc[nH+]2)CC1)Nc1ccc2[nH]ccc2c1 ZINC000049551254 570269614 /nfs/dbraw/zinc/26/96/14/570269614.db2.gz HKGNVGGLOFVFIJ-UHFFFAOYSA-N 1 2 378.436 2.033 50 0 GEAALO Cc1ccc(C)n1-c1nc2ccc(C(=O)N3CC[NH+](CCO)CC3)cc2s1 ZINC000020649421 570274103 /nfs/dbraw/zinc/27/41/03/570274103.db2.gz SCBGLIQSEFXSFY-UHFFFAOYSA-N 1 2 384.505 2.454 50 0 GEAALO CCCCCn1c(C[N@H+](C)Cc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C ZINC000002361205 570284295 /nfs/dbraw/zinc/28/42/95/570284295.db2.gz YNXOANJOXGHSBS-UHFFFAOYSA-N 1 2 383.496 2.256 50 0 GEAALO CCCCCn1c(C[N@@H+](C)Cc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C ZINC000002361205 570284296 /nfs/dbraw/zinc/28/42/96/570284296.db2.gz YNXOANJOXGHSBS-UHFFFAOYSA-N 1 2 383.496 2.256 50 0 GEAALO Cc1ccc2c(=O)cc(C(=O)N3CC[NH+](CCc4ccccn4)CC3)oc2c1 ZINC000021659713 570293859 /nfs/dbraw/zinc/29/38/59/570293859.db2.gz CTFWCIACGCJEIH-UHFFFAOYSA-N 1 2 377.444 2.497 50 0 GEAALO CCOC(=O)C1=C(C[N@H+](C)CCOc2ccc(C)cc2)NC(=O)N[C@@H]1CC ZINC000021672960 570294101 /nfs/dbraw/zinc/29/41/01/570294101.db2.gz RCQPFAUOLBUASS-MRXNPFEDSA-N 1 2 375.469 2.214 50 0 GEAALO CCOC(=O)C1=C(C[N@@H+](C)CCOc2ccc(C)cc2)NC(=O)N[C@@H]1CC ZINC000021672960 570294103 /nfs/dbraw/zinc/29/41/03/570294103.db2.gz RCQPFAUOLBUASS-MRXNPFEDSA-N 1 2 375.469 2.214 50 0 GEAALO COc1ccccc1C[NH+]1CCN(Cc2nc(C(=O)NCC3CC3)co2)CC1 ZINC000034678228 570294576 /nfs/dbraw/zinc/29/45/76/570294576.db2.gz XNLGKRUJZJNDPY-UHFFFAOYSA-N 1 2 384.480 2.141 50 0 GEAALO COC(=O)c1c2c(sc1NC(=S)NN1CC[NH+](C)CC1)C[C@@H](C)CC2 ZINC000002858938 570310780 /nfs/dbraw/zinc/31/07/80/570310780.db2.gz FPUGRWXWXIKFML-NSHDSACASA-N 1 2 382.555 2.108 50 0 GEAALO Cc1c(Cl)c(C(F)(F)F)nn1[C@H](C)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000022363027 570314342 /nfs/dbraw/zinc/31/43/42/570314342.db2.gz NCOMFOYYIDWEAR-GXSJLCMTSA-N 1 2 382.814 2.262 50 0 GEAALO CCc1ccccc1NC(=O)CN1CC[NH+](CC(=O)N2CCC(C)CC2)CC1 ZINC000022786791 570327434 /nfs/dbraw/zinc/32/74/34/570327434.db2.gz HIRZDUOCIJWNNH-UHFFFAOYSA-N 1 2 386.540 2.064 50 0 GEAALO C[C@@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(CN1CC[NH+](Cc3ccncc3)CC1)C2=O ZINC000022799129 570328692 /nfs/dbraw/zinc/32/86/92/570328692.db2.gz IZEMNWBWEYKXEP-HTAPYJJXSA-N 1 2 399.539 2.294 50 0 GEAALO COc1ccc(NC(=O)CN2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)cc1 ZINC000022805173 570329596 /nfs/dbraw/zinc/32/95/96/570329596.db2.gz SYOSTFPWTYINDR-UHFFFAOYSA-N 1 2 381.476 2.386 50 0 GEAALO O=c1c(=O)c(-c2ccccc2)c1NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000023719839 570330564 /nfs/dbraw/zinc/33/05/64/570330564.db2.gz NBSAZEOJQGEANQ-UHFFFAOYSA-N 1 2 375.472 2.179 50 0 GEAALO CC[NH+]1CCN(C(=O)[C@@H](C)Sc2nnc(-c3ccc(OC)cc3)n2C)CC1 ZINC000023761528 570332897 /nfs/dbraw/zinc/33/28/97/570332897.db2.gz PWHJCYSOGIDOLH-CQSZACIVSA-N 1 2 389.525 2.135 50 0 GEAALO COc1ccccc1[C@@H]1SCC(=O)N1CC[NH+]1CCN(C(=O)C(C)C)CC1 ZINC000034854839 570341365 /nfs/dbraw/zinc/34/13/65/570341365.db2.gz UGOQVUMLQWUHES-FQEVSTJZSA-N 1 2 391.537 2.069 50 0 GEAALO O=C(c1c[nH]c2ccccc12)[C@H](O)[C@H](c1ccccc1)[NH+]1CCN(CCO)CC1 ZINC000023116741 570344724 /nfs/dbraw/zinc/34/47/24/570344724.db2.gz RLFLSDRDEWMTOT-JTHBVZDNSA-N 1 2 393.487 2.063 50 0 GEAALO O=C(c1c[nH]c2ccccc12)[C@H](O)[C@H](c1ccccc1)N1CC[NH+](CCO)CC1 ZINC000023116741 570344725 /nfs/dbraw/zinc/34/47/25/570344725.db2.gz RLFLSDRDEWMTOT-JTHBVZDNSA-N 1 2 393.487 2.063 50 0 GEAALO O=C1N[C@@]2(CCc3ccccc3C2)C(=O)N1C[NH+]1CCN(c2ccccc2)CC1 ZINC000023408752 570361380 /nfs/dbraw/zinc/36/13/80/570361380.db2.gz QIKSFQNGPSUQJU-HSZRJFAPSA-N 1 2 390.487 2.246 50 0 GEAALO COc1ccnc(N2CCC3(CC2)c2ccccc2[C@@H](n2cc[nH+]c2)[C@@H]3O)n1 ZINC000023542609 570365233 /nfs/dbraw/zinc/36/52/33/570365233.db2.gz QAMDBZXGLBDAIL-MOPGFXCFSA-N 1 2 377.448 2.184 50 0 GEAALO CCCCN1C(=O)C(=O)N(C[N@@H+]2CCC[C@H]2c2ccc(OC)cc2OC)C1=O ZINC000023852228 570373752 /nfs/dbraw/zinc/37/37/52/570373752.db2.gz YARBFGXQKVMASL-INIZCTEOSA-N 1 2 389.452 2.389 50 0 GEAALO CCCCN1C(=O)C(=O)N(C[N@H+]2CCC[C@H]2c2ccc(OC)cc2OC)C1=O ZINC000023852228 570373756 /nfs/dbraw/zinc/37/37/56/570373756.db2.gz YARBFGXQKVMASL-INIZCTEOSA-N 1 2 389.452 2.389 50 0 GEAALO O=S1(=O)CC[C@H]([N@H+](Cc2ccco2)C[C@@H](O)COc2ccc(Cl)cc2)C1 ZINC000226776252 570375564 /nfs/dbraw/zinc/37/55/64/570375564.db2.gz QIRXQZKRLNYWBK-JKSUJKDBSA-N 1 2 399.896 2.362 50 0 GEAALO O=S1(=O)CC[C@H]([N@@H+](Cc2ccco2)C[C@@H](O)COc2ccc(Cl)cc2)C1 ZINC000226776252 570375561 /nfs/dbraw/zinc/37/55/61/570375561.db2.gz QIRXQZKRLNYWBK-JKSUJKDBSA-N 1 2 399.896 2.362 50 0 GEAALO Cc1ccc(CNC(=O)NCC(=O)N2CC[NH+](Cc3ccccc3F)CC2)cc1 ZINC000023995485 570376536 /nfs/dbraw/zinc/37/65/36/570376536.db2.gz CVMYABVUVOMWIP-UHFFFAOYSA-N 1 2 398.482 2.278 50 0 GEAALO O=C(CCNC(=O)c1ccccc1)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000024135092 570379129 /nfs/dbraw/zinc/37/91/29/570379129.db2.gz HIRJTIWVAGZKOA-UHFFFAOYSA-N 1 2 393.487 2.086 50 0 GEAALO Cc1[nH+]c2ccccc2n1CC(=O)N1CCCn2nc([C@H](O)C3CC3)cc2C1 ZINC000221208996 570391957 /nfs/dbraw/zinc/39/19/57/570391957.db2.gz YWZRETYWVJUZCA-OAQYLSRUSA-N 1 2 379.464 2.417 50 0 GEAALO CNc1[nH+]c(C)ccc1C(=O)OCC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000032928556 570396893 /nfs/dbraw/zinc/39/68/93/570396893.db2.gz HHGDIBBHGLMKCD-UHFFFAOYSA-N 1 2 384.436 2.064 50 0 GEAALO COc1ccc(OC)c(CN2CC[NH+]([C@@H](C)C(=O)NC3CCCC3)CC2)c1 ZINC000025607923 570416613 /nfs/dbraw/zinc/41/66/13/570416613.db2.gz AIDDUUFRYXZCTA-INIZCTEOSA-N 1 2 375.513 2.269 50 0 GEAALO COc1ccc(OC)c(C[NH+]2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)c1 ZINC000025607923 570416616 /nfs/dbraw/zinc/41/66/16/570416616.db2.gz AIDDUUFRYXZCTA-INIZCTEOSA-N 1 2 375.513 2.269 50 0 GEAALO CC1=[NH+]N(Cc2cccc(Cl)c2)c2nc3c(c(=O)n(C)c(=O)n3C)n2[C@H]1C ZINC000005148018 570427389 /nfs/dbraw/zinc/42/73/89/570427389.db2.gz WJLJRHVCXBCCDI-NSHDSACASA-N 1 2 386.843 2.044 50 0 GEAALO O=C(NCCCn1cc[nH+]c1)[C@H]1CC[C@H](Cn2nnc3ccccc3c2=O)CC1 ZINC000238950679 570427749 /nfs/dbraw/zinc/42/77/49/570427749.db2.gz ZHNGMWVHPAEEKR-QAQDUYKDSA-N 1 2 394.479 2.001 50 0 GEAALO C[NH+]1CCN(S(=O)(=O)c2cccc(C(=O)Nc3ccccc3F)c2)CC1 ZINC000014494435 570457374 /nfs/dbraw/zinc/45/73/74/570457374.db2.gz FQOQNMNRNSQFFF-UHFFFAOYSA-N 1 2 377.441 2.014 50 0 GEAALO COc1ccc([C@@H]2CCCCC[N@@H+]2CC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000029155778 570469352 /nfs/dbraw/zinc/46/93/52/570469352.db2.gz PKWZZPGFVPLFEX-MJGOQNOKSA-N 1 2 394.537 2.258 50 0 GEAALO COc1ccc([C@@H]2CCCCC[N@H+]2CC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000029155778 570469353 /nfs/dbraw/zinc/46/93/53/570469353.db2.gz PKWZZPGFVPLFEX-MJGOQNOKSA-N 1 2 394.537 2.258 50 0 GEAALO c1nc(C2OCCO2)sc1CN1CC[NH+](CCOc2ccccc2)CC1 ZINC000253427603 570483265 /nfs/dbraw/zinc/48/32/65/570483265.db2.gz GHOUUKXKSKELSS-UHFFFAOYSA-N 1 2 375.494 2.385 50 0 GEAALO CCC[C@H](C(=O)N(C)CCCC(=O)OC)[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000078971871 570510156 /nfs/dbraw/zinc/51/01/56/570510156.db2.gz LLGFVAMMVNJACK-MRXNPFEDSA-N 1 2 399.532 2.119 50 0 GEAALO COc1ccc(OC)c([C@@H]2CCCN2C(=O)NC[C@H](C)[NH+]2CCOCC2)c1 ZINC000046264839 570550856 /nfs/dbraw/zinc/55/08/56/570550856.db2.gz CTKXICNVDIXQOW-YJBOKZPZSA-N 1 2 377.485 2.271 50 0 GEAALO COc1ccc2c(c1)N1CCN(c3cccc[nH+]3)C[C@@H]1[C@H](C(=O)NC(C)C)C2 ZINC000035911094 570558689 /nfs/dbraw/zinc/55/86/89/570558689.db2.gz VXBSZBILJCVHRE-UYAOXDASSA-N 1 2 380.492 2.482 50 0 GEAALO COc1cccc(OC[C@H]2C[N@H+](C[C@@H](O)COCc3ccccc3)CCO2)c1 ZINC000169681510 570602179 /nfs/dbraw/zinc/60/21/79/570602179.db2.gz PPCQSLRROUGQPQ-DENIHFKCSA-N 1 2 387.476 2.353 50 0 GEAALO COc1cccc(OC[C@H]2C[N@@H+](C[C@@H](O)COCc3ccccc3)CCO2)c1 ZINC000169681510 570602180 /nfs/dbraw/zinc/60/21/80/570602180.db2.gz PPCQSLRROUGQPQ-DENIHFKCSA-N 1 2 387.476 2.353 50 0 GEAALO Cc1cccc(C(=O)N2CC[NH+](CCN3C(=O)c4ccccc4C3=O)CC2)c1 ZINC000012462726 570670742 /nfs/dbraw/zinc/67/07/42/570670742.db2.gz AUGLACZKHHZMFN-UHFFFAOYSA-N 1 2 377.444 2.049 50 0 GEAALO O=C(NCc1ccc(OC(F)(F)F)cc1)c1cc(C[N@H+]2CCC[C@H](O)C2)on1 ZINC000012579422 570683484 /nfs/dbraw/zinc/68/34/84/570683484.db2.gz MKXQVVILSKLHKN-ZDUSSCGKSA-N 1 2 399.369 2.460 50 0 GEAALO O=C(NCc1ccc(OC(F)(F)F)cc1)c1cc(C[N@@H+]2CCC[C@H](O)C2)on1 ZINC000012579422 570683488 /nfs/dbraw/zinc/68/34/88/570683488.db2.gz MKXQVVILSKLHKN-ZDUSSCGKSA-N 1 2 399.369 2.460 50 0 GEAALO CC(C)[N@H+](C)Cc1nnnn1CC(=O)N1CC[C@@H](c2ccccc2Cl)C1 ZINC000012585569 570684972 /nfs/dbraw/zinc/68/49/72/570684972.db2.gz BAUFENKCJDYIIY-CQSZACIVSA-N 1 2 376.892 2.183 50 0 GEAALO CC(C)[N@@H+](C)Cc1nnnn1CC(=O)N1CC[C@@H](c2ccccc2Cl)C1 ZINC000012585569 570684974 /nfs/dbraw/zinc/68/49/74/570684974.db2.gz BAUFENKCJDYIIY-CQSZACIVSA-N 1 2 376.892 2.183 50 0 GEAALO C[C@H]1CC(=O)N[NH+]=C1c1ccc(N2CCN(C(=O)Cc3ccccc3)CC2)cc1 ZINC000000968629 570742078 /nfs/dbraw/zinc/74/20/78/570742078.db2.gz BKSVCUXTOGGKCO-KRWDZBQOSA-N 1 2 390.487 2.438 50 0 GEAALO CCc1nc(CSc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cn2)cs1 ZINC000025452363 570753106 /nfs/dbraw/zinc/75/31/06/570753106.db2.gz MREADKZRGKJTCF-UHFFFAOYSA-N 1 2 398.579 2.329 50 0 GEAALO O=C(c1cccs1)N1CC[NH+](C[C@H](O)COCc2ccccc2F)CC1 ZINC000032721130 570760906 /nfs/dbraw/zinc/76/09/06/570760906.db2.gz AVYKPLTWYAOUEB-INIZCTEOSA-N 1 2 378.469 2.223 50 0 GEAALO Cc1ccc(S(=O)(=O)Nc2cc(C(=O)N3CC[NH+](C)CC3)ccc2C)cc1 ZINC000013682617 570773284 /nfs/dbraw/zinc/77/32/84/570773284.db2.gz BDJPDAVOAJLFSC-UHFFFAOYSA-N 1 2 387.505 2.492 50 0 GEAALO COc1ccccc1[C@@H](NC(=O)NCc1cccnc1OC)c1[nH+]ccn1C ZINC000032802515 570821202 /nfs/dbraw/zinc/82/12/02/570821202.db2.gz JKTGPKBDHRFAFM-QGZVFWFLSA-N 1 2 381.436 2.421 50 0 GEAALO O=C(C[NH+]1CCN(c2nc(C(F)(F)F)nc3ccccc32)CC1)NC1CC1 ZINC000014158358 570825776 /nfs/dbraw/zinc/82/57/76/570825776.db2.gz LGODLFJKGOZCBR-UHFFFAOYSA-N 1 2 379.386 2.049 50 0 GEAALO CCc1ccc(CN(C)c2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cn2)cc1 ZINC000014199395 570829043 /nfs/dbraw/zinc/82/90/43/570829043.db2.gz DWRFYHLKYBZPDH-UHFFFAOYSA-N 1 2 388.537 2.217 50 0 GEAALO CC(=O)NCc1ccc(S(=O)(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)cc1 ZINC000014228844 570833105 /nfs/dbraw/zinc/83/31/05/570833105.db2.gz ZORKOQHNHYBYSF-HXUWFJFHSA-N 1 2 387.505 2.000 50 0 GEAALO CC(=O)NCc1ccc(S(=O)(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)cc1 ZINC000014228844 570833108 /nfs/dbraw/zinc/83/31/08/570833108.db2.gz ZORKOQHNHYBYSF-HXUWFJFHSA-N 1 2 387.505 2.000 50 0 GEAALO Cn1cc[nH+]c1[C@H](NC(=O)Cn1cnc2sccc2c1=O)c1ccccc1 ZINC000032830663 570844686 /nfs/dbraw/zinc/84/46/86/570844686.db2.gz BABVHDPPEWCCIN-MRXNPFEDSA-N 1 2 379.445 2.097 50 0 GEAALO COc1ccccc1[C@H](NC(=O)[C@@H]1COc2ccccc2O1)c1[nH+]ccn1C ZINC000032842362 570851152 /nfs/dbraw/zinc/85/11/52/570851152.db2.gz PIDVVAGQFBYWCC-OALUTQOASA-N 1 2 379.416 2.474 50 0 GEAALO CC(C)[C@H](NC(=O)c1cccs1)C(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000170619965 570876511 /nfs/dbraw/zinc/87/65/11/570876511.db2.gz DCIUXSZRVPMRGI-KRWDZBQOSA-N 1 2 375.494 2.440 50 0 GEAALO CCNS(=O)(=O)c1ccc(C(=O)NCc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000032904445 570901867 /nfs/dbraw/zinc/90/18/67/570901867.db2.gz RXUUHCCMBRRZKR-UHFFFAOYSA-N 1 2 398.488 2.160 50 0 GEAALO Cc1cccnc1C[NH+]1CCN(C(=O)N[C@@H](CC(C)C)c2ncnn2C)CC1 ZINC000534666247 570919459 /nfs/dbraw/zinc/91/94/59/570919459.db2.gz SODMMXSTIYUNDU-KRWDZBQOSA-N 1 2 385.516 2.133 50 0 GEAALO COC[C@@H](NC(=O)N(C)Cc1[nH+]ccn1Cc1ccccc1)c1ccnn1C ZINC000534670100 570920462 /nfs/dbraw/zinc/92/04/62/570920462.db2.gz KGSGPKQZOYNCPV-QGZVFWFLSA-N 1 2 382.468 2.194 50 0 GEAALO COC(=O)c1ccc(C)c(NC(=O)C[N@H+](C)C[C@H]2COc3ccccc3O2)c1 ZINC000016628304 570929278 /nfs/dbraw/zinc/92/92/78/570929278.db2.gz GBAUIAANPCYZNN-INIZCTEOSA-N 1 2 384.432 2.492 50 0 GEAALO COC(=O)c1ccc(C)c(NC(=O)C[N@@H+](C)C[C@H]2COc3ccccc3O2)c1 ZINC000016628304 570929280 /nfs/dbraw/zinc/92/92/80/570929280.db2.gz GBAUIAANPCYZNN-INIZCTEOSA-N 1 2 384.432 2.492 50 0 GEAALO O=C(C[NH+]1CCC(NC(=O)[C@H]2COc3ccccc3O2)CC1)Nc1ccccc1 ZINC000012736932 570979663 /nfs/dbraw/zinc/97/96/63/570979663.db2.gz KEGWQWHFEDGCQG-HXUWFJFHSA-N 1 2 395.459 2.046 50 0 GEAALO COc1cccc2c1CCN(C(=O)C1CC[NH+](Cc3nccn3C)CC1)CC2 ZINC000193773145 570983305 /nfs/dbraw/zinc/98/33/05/570983305.db2.gz DWPPLWKOJLSQTQ-UHFFFAOYSA-N 1 2 382.508 2.268 50 0 GEAALO COc1ccc(OC)c(C[NH+]2CCN(CC(=O)NCc3ccccc3)CC2)c1 ZINC000023248576 570996797 /nfs/dbraw/zinc/99/67/97/570996797.db2.gz ZDEIRUVZIBCRAC-UHFFFAOYSA-N 1 2 383.492 2.138 50 0 GEAALO COc1ccc(OC)c(CN2CC[NH+](CC(=O)NCc3ccccc3)CC2)c1 ZINC000023248576 570996800 /nfs/dbraw/zinc/99/68/00/570996800.db2.gz ZDEIRUVZIBCRAC-UHFFFAOYSA-N 1 2 383.492 2.138 50 0 GEAALO COc1ccc(-c2cc(C(=O)N3CC[NH+](Cc4ccncc4)CC3)[nH]n2)cc1 ZINC000091254308 571001184 /nfs/dbraw/zinc/00/11/84/571001184.db2.gz VMRZIDIPDNYVNY-UHFFFAOYSA-N 1 2 377.448 2.438 50 0 GEAALO COc1ccc(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1OC ZINC000019559852 571004992 /nfs/dbraw/zinc/00/49/92/571004992.db2.gz SRMWEICMIYRXQV-UHFFFAOYSA-N 1 2 384.432 2.391 50 0 GEAALO COc1cccc(NC(=O)N2CC[N@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)c1 ZINC000084240593 571010041 /nfs/dbraw/zinc/01/00/41/571010041.db2.gz MRKJBCGHPQWXAU-OAHLLOKOSA-N 1 2 378.473 2.368 50 0 GEAALO COc1cccc(NC(=O)N2CC[N@@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)c1 ZINC000084240593 571010044 /nfs/dbraw/zinc/01/00/44/571010044.db2.gz MRKJBCGHPQWXAU-OAHLLOKOSA-N 1 2 378.473 2.368 50 0 GEAALO COc1ccc(C(=O)N2CCC[C@@]3(CCC(=O)N(CCc4c[nH+]c[nH]4)C3)C2)o1 ZINC000091505629 571011494 /nfs/dbraw/zinc/01/14/94/571011494.db2.gz DNHGXRLWTVONJT-FQEVSTJZSA-N 1 2 386.452 2.099 50 0 GEAALO COc1ccc(C(=O)N2CCC[C@@]3(CCC(=O)N(CCc4c[nH]c[nH+]4)C3)C2)o1 ZINC000091505629 571011499 /nfs/dbraw/zinc/01/14/99/571011499.db2.gz DNHGXRLWTVONJT-FQEVSTJZSA-N 1 2 386.452 2.099 50 0 GEAALO O=C(Cc1c[nH+]c2ccccn12)N1CCC2(CC1)Nc1ccccc1NC2=O ZINC000091755671 571029431 /nfs/dbraw/zinc/02/94/31/571029431.db2.gz KJUOMBWUVKVNPW-UHFFFAOYSA-N 1 2 375.432 2.302 50 0 GEAALO Cc1nc[nH]c1C[N@@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)c1scc3c1OCCO3)C2 ZINC000095359047 571054019 /nfs/dbraw/zinc/05/40/19/571054019.db2.gz PZHMEEKAPPYELU-UONOGXRCSA-N 1 2 388.493 2.287 50 0 GEAALO Cc1nc[nH]c1C[N@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)c1scc3c1OCCO3)C2 ZINC000095359047 571054023 /nfs/dbraw/zinc/05/40/23/571054023.db2.gz PZHMEEKAPPYELU-UONOGXRCSA-N 1 2 388.493 2.287 50 0 GEAALO COc1ccc(Cl)cc1[C@@H](C(=O)[O-])N1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000095379876 571066592 /nfs/dbraw/zinc/06/65/92/571066592.db2.gz VIGIPHYMMOVLRD-SFHVURJKSA-N 1 2 381.904 2.186 50 0 GEAALO COc1ccccc1[C@H]1CNC(=O)c2[nH]c(C3(Cn4cc[nH+]c4)CC3)nc2C1 ZINC000095389467 571072302 /nfs/dbraw/zinc/07/23/02/571072302.db2.gz NGFCYBNQYGGUHL-CQSZACIVSA-N 1 2 377.448 2.416 50 0 GEAALO CC(C)n1cc[nH+]c1[C@H]1CCCN(C(=O)c2sccc2S(N)(=O)=O)C1 ZINC000095498567 571074918 /nfs/dbraw/zinc/07/49/18/571074918.db2.gz MJTOENWAGGUMSF-LBPRGKRZSA-N 1 2 382.511 2.193 50 0 GEAALO CC(=O)N1CCC(C(=O)N2CCC(c3[nH+]ccn3Cc3ccccn3)CC2)CC1 ZINC000095506745 571078852 /nfs/dbraw/zinc/07/88/52/571078852.db2.gz SRWGECSTNRQXNE-UHFFFAOYSA-N 1 2 395.507 2.291 50 0 GEAALO COc1ccc(OC2CCN(C(C)=O)CC2)c(C(=O)NCc2[nH]c[nH+]c2C)c1 ZINC000095508453 571080341 /nfs/dbraw/zinc/08/03/41/571080341.db2.gz POMLYKTZGPJKEI-UHFFFAOYSA-N 1 2 386.452 2.046 50 0 GEAALO Cc1c(CC(=O)NCc2[nH+]ccn2C)c2c(n1C[C@@H]1CCCO1)CCCC2=O ZINC000095511481 571082521 /nfs/dbraw/zinc/08/25/21/571082521.db2.gz XVLAUAWBMSPMIZ-HNNXBMFYSA-N 1 2 384.480 2.087 50 0 GEAALO Cn1cc(CCC(=O)N2CCC[C@H](c3[nH+]ccn3Cc3cscn3)C2)cn1 ZINC000095512489 571082904 /nfs/dbraw/zinc/08/29/04/571082904.db2.gz TZEHRRCFZBGVQV-INIZCTEOSA-N 1 2 384.509 2.460 50 0 GEAALO CC(C)=CCN1CC[N@H+](CCc2c[nH]c3ccccc23)[C@H]2CS(=O)(=O)C[C@H]21 ZINC000095516445 571083983 /nfs/dbraw/zinc/08/39/83/571083983.db2.gz HTHNCXPPPCAUFB-RTWAWAEBSA-N 1 2 387.549 2.460 50 0 GEAALO CC(C)=CCN1CC[N@@H+](CCc2c[nH]c3ccccc23)[C@H]2CS(=O)(=O)C[C@H]21 ZINC000095516445 571083985 /nfs/dbraw/zinc/08/39/85/571083985.db2.gz HTHNCXPPPCAUFB-RTWAWAEBSA-N 1 2 387.549 2.460 50 0 GEAALO Cc1cc(C(=O)N2CCC3(CC2)c2[nH+]c[nH]c2CCN3C(=O)C2CC2)ccc1O ZINC000095519341 571086161 /nfs/dbraw/zinc/08/61/61/571086161.db2.gz FKPQEZOFWLXDAD-UHFFFAOYSA-N 1 2 394.475 2.350 50 0 GEAALO CC(C)n1ccnc1C[NH+]1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1 ZINC000095523469 571089336 /nfs/dbraw/zinc/08/93/36/571089336.db2.gz HBLGCSGEGXKADY-UHFFFAOYSA-N 1 2 382.512 2.473 50 0 GEAALO COCC(=O)N1CCc2[nH]c[nH+]c2C12CCN(C(=O)CC1CCCCC1)CC2 ZINC000095526901 571091064 /nfs/dbraw/zinc/09/10/64/571091064.db2.gz MQTMBHAYBFJOCP-UHFFFAOYSA-N 1 2 388.512 2.229 50 0 GEAALO CC(=O)c1cc(C[NH+]2CCC3(CC2)c2nc[nH]c2CCN3C(=O)C2CC2)n(C)c1 ZINC000095526824 571091247 /nfs/dbraw/zinc/09/12/47/571091247.db2.gz OCVRPVIYGYGTEY-UHFFFAOYSA-N 1 2 395.507 2.237 50 0 GEAALO CC(=O)c1cc(C[NH+]2CCC3(CC2)c2[nH]cnc2CCN3C(=O)C2CC2)n(C)c1 ZINC000095526824 571091248 /nfs/dbraw/zinc/09/12/48/571091248.db2.gz OCVRPVIYGYGTEY-UHFFFAOYSA-N 1 2 395.507 2.237 50 0 GEAALO Cc1ncc(C(=O)N2CCC(c3[nH+]ccn3Cc3ccccc3)CC2)c(=O)[nH]1 ZINC000095527238 571091336 /nfs/dbraw/zinc/09/13/36/571091336.db2.gz HCRLETCCZISNNQ-UHFFFAOYSA-N 1 2 377.448 2.343 50 0 GEAALO Cn1cnnc1C[NH+]1CCC(Oc2ccccc2C(=O)N2CCCCC2)CC1 ZINC000095527465 571091549 /nfs/dbraw/zinc/09/15/49/571091549.db2.gz HECXXPBYHMGTRA-UHFFFAOYSA-N 1 2 383.496 2.485 50 0 GEAALO COCCc1noc([C@@H]2CCCN2C(=O)NCc2cn3cc(C)ccc3[nH+]2)n1 ZINC000426492794 231228510 /nfs/dbraw/zinc/22/85/10/231228510.db2.gz KPQIYCVBZYMSFC-HNNXBMFYSA-N 1 2 384.440 2.261 50 0 GEAALO CCc1ccc(C[N@@H+]2CCc3c(C(=O)N(C)[C@@H](C)C(N)=O)csc3C2)nc1 ZINC000426538290 529642692 /nfs/dbraw/zinc/64/26/92/529642692.db2.gz DNVJAJFEGHMEHU-ZDUSSCGKSA-N 1 2 386.521 2.210 50 0 GEAALO CCc1ccc(C[N@H+]2CCc3c(C(=O)N(C)[C@@H](C)C(N)=O)csc3C2)nc1 ZINC000426538290 529642695 /nfs/dbraw/zinc/64/26/95/529642695.db2.gz DNVJAJFEGHMEHU-ZDUSSCGKSA-N 1 2 386.521 2.210 50 0 GEAALO C[C@H]1CCc2nc(NC(=O)CSC(=S)N3CC[NH+](C)CC3)sc2C1 ZINC000019808999 531580725 /nfs/dbraw/zinc/58/07/25/531580725.db2.gz CTKWBKPGLCGLMZ-NSHDSACASA-N 1 2 384.596 2.472 50 0 GEAALO CN(C)S(=O)(=O)N1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000028037275 531629975 /nfs/dbraw/zinc/62/99/75/531629975.db2.gz ABHFIUNMUOJADP-UHFFFAOYSA-N 1 2 383.514 2.478 50 0 GEAALO CC[N@H+](CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)CC)C1)c1cccc(C)c1 ZINC000004034463 204024396 /nfs/dbraw/zinc/02/43/96/204024396.db2.gz TWMTXWNEIMSPJR-GOSISDBHSA-N 1 2 395.569 2.389 50 0 GEAALO CC[N@@H+](CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)CC)C1)c1cccc(C)c1 ZINC000004034463 204024399 /nfs/dbraw/zinc/02/43/99/204024399.db2.gz TWMTXWNEIMSPJR-GOSISDBHSA-N 1 2 395.569 2.389 50 0 GEAALO O=C1C[C@@H]([NH+]2CCN(c3ccccc3O)CC2)C(=O)N1c1ccc(Cl)cc1 ZINC000004450906 204045456 /nfs/dbraw/zinc/04/54/56/204045456.db2.gz VCYACVNCGPMGMJ-QGZVFWFLSA-N 1 2 385.851 2.500 50 0 GEAALO CCCCc1c(C)nc(N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)[nH]c1=O ZINC000005210404 204119271 /nfs/dbraw/zinc/11/92/71/204119271.db2.gz UUYIFKMQFXJHNN-UHFFFAOYSA-N 1 2 384.480 2.472 50 0 GEAALO O=C(C[N@@H+]1CCc2ccccc2C1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000005903901 204157551 /nfs/dbraw/zinc/15/75/51/204157551.db2.gz VECAPVHKCPMZCF-UHFFFAOYSA-N 1 2 399.516 2.468 50 0 GEAALO O=C(C[N@H+]1CCc2ccccc2C1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000005903901 204157553 /nfs/dbraw/zinc/15/75/53/204157553.db2.gz VECAPVHKCPMZCF-UHFFFAOYSA-N 1 2 399.516 2.468 50 0 GEAALO CCS(=O)(=O)N1CCN(c2nc(C)[nH+]c(C)c2Cc2ccccc2F)CC1 ZINC000006833011 204213594 /nfs/dbraw/zinc/21/35/94/204213594.db2.gz HBZVAHHJOSWLJI-UHFFFAOYSA-N 1 2 392.500 2.295 50 0 GEAALO NC(=O)Cn1c(C[NH+]2CCC(Cc3ccccc3)CC2)nc2ccccc2c1=O ZINC000007061076 204232900 /nfs/dbraw/zinc/23/29/00/204232900.db2.gz AKZWMZMXJHNRBX-UHFFFAOYSA-N 1 2 390.487 2.337 50 0 GEAALO CCC[N@H+](CC(=O)NC(=O)NCC(F)(F)F)CC(=O)Nc1ccccc1C ZINC000007696500 204246783 /nfs/dbraw/zinc/24/67/83/204246783.db2.gz ZICZCWLFCXQTAQ-UHFFFAOYSA-N 1 2 388.390 2.034 50 0 GEAALO CCC[N@@H+](CC(=O)NC(=O)NCC(F)(F)F)CC(=O)Nc1ccccc1C ZINC000007696500 204246787 /nfs/dbraw/zinc/24/67/87/204246787.db2.gz ZICZCWLFCXQTAQ-UHFFFAOYSA-N 1 2 388.390 2.034 50 0 GEAALO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CC(=O)NC(=O)NCc2ccco2)c1 ZINC000007718403 204247280 /nfs/dbraw/zinc/24/72/80/204247280.db2.gz NAJLGFPYYPTLLL-KRWDZBQOSA-N 1 2 387.436 2.460 50 0 GEAALO COc1ccc(OC)c([C@@H]2CCC[N@H+]2CC(=O)NC(=O)NCc2ccco2)c1 ZINC000007718403 204247284 /nfs/dbraw/zinc/24/72/84/204247284.db2.gz NAJLGFPYYPTLLL-KRWDZBQOSA-N 1 2 387.436 2.460 50 0 GEAALO COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C[NH+]1CCCCC1 ZINC000007780912 204250125 /nfs/dbraw/zinc/25/01/25/204250125.db2.gz KEWFVXZOQDYYOF-UHFFFAOYSA-N 1 2 395.525 2.294 50 0 GEAALO Cc1ccc(-c2nnn(CC(=O)N[C@@H](c3[nH+]ccn3C)c3ccccc3)n2)cc1 ZINC000008746475 204287473 /nfs/dbraw/zinc/28/74/73/204287473.db2.gz UOYWKYSOWKRNSS-LJQANCHMSA-N 1 2 387.447 2.288 50 0 GEAALO COc1cccc([C@@H](NC(=O)[C@@H]2COc3ccccc3O2)c2[nH+]ccn2C)c1 ZINC000008746428 204287654 /nfs/dbraw/zinc/28/76/54/204287654.db2.gz DFTKPMDLOQOESN-RBUKOAKNSA-N 1 2 379.416 2.474 50 0 GEAALO Cc1cc(N)nc(S[C@@H](C)C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)[nH+]1 ZINC000009337826 204307148 /nfs/dbraw/zinc/30/71/48/204307148.db2.gz MAIGVMXUFOMXIX-QMMMGPOBSA-N 1 2 399.398 2.020 50 0 GEAALO COC(=O)[C@H]1CN(C(=O)C[N@H+](C)Cc2cc(C)ccc2OC)c2ccccc2O1 ZINC000011439808 204347060 /nfs/dbraw/zinc/34/70/60/204347060.db2.gz TVDKGAPMDFBZSF-HXUWFJFHSA-N 1 2 398.459 2.403 50 0 GEAALO COC(=O)[C@H]1CN(C(=O)C[N@@H+](C)Cc2cc(C)ccc2OC)c2ccccc2O1 ZINC000011439808 204347063 /nfs/dbraw/zinc/34/70/63/204347063.db2.gz TVDKGAPMDFBZSF-HXUWFJFHSA-N 1 2 398.459 2.403 50 0 GEAALO COc1cccc(C[N@@H+]2CCNC(=O)[C@@H]2CC(=O)N(C)CCc2ccccc2)c1 ZINC000011952283 204364578 /nfs/dbraw/zinc/36/45/78/204364578.db2.gz UDNYLHUNIDINDL-NRFANRHFSA-N 1 2 395.503 2.087 50 0 GEAALO COc1cccc(C[N@H+]2CCNC(=O)[C@@H]2CC(=O)N(C)CCc2ccccc2)c1 ZINC000011952283 204364583 /nfs/dbraw/zinc/36/45/83/204364583.db2.gz UDNYLHUNIDINDL-NRFANRHFSA-N 1 2 395.503 2.087 50 0 GEAALO Cc1ccc2oc(C(=O)NCc3ccc(N4CCOCC4)[nH+]c3)cc(=O)c2c1 ZINC000011116527 204343035 /nfs/dbraw/zinc/34/30/35/204343035.db2.gz PCDNSEVYXAHNCT-UHFFFAOYSA-N 1 2 379.416 2.263 50 0 GEAALO COC(=O)c1ccccc1N(C)C(=O)C[N@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000011231829 204344375 /nfs/dbraw/zinc/34/43/75/204344375.db2.gz YZJCIIGLGLHWDD-UHFFFAOYSA-N 1 2 384.432 2.339 50 0 GEAALO COC(=O)c1ccccc1N(C)C(=O)C[N@@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000011231829 204344379 /nfs/dbraw/zinc/34/43/79/204344379.db2.gz YZJCIIGLGLHWDD-UHFFFAOYSA-N 1 2 384.432 2.339 50 0 GEAALO C[N@@H+](Cc1cnc(S(C)(=O)=O)n1Cc1ccccc1F)CC1CCOCC1 ZINC000012301562 204391617 /nfs/dbraw/zinc/39/16/17/204391617.db2.gz FQVZSCAGPUQDSC-UHFFFAOYSA-N 1 2 395.500 2.332 50 0 GEAALO C[N@H+](Cc1cnc(S(C)(=O)=O)n1Cc1ccccc1F)CC1CCOCC1 ZINC000012301562 204391622 /nfs/dbraw/zinc/39/16/22/204391622.db2.gz FQVZSCAGPUQDSC-UHFFFAOYSA-N 1 2 395.500 2.332 50 0 GEAALO C[NH+]1CCN(S(=O)(=O)c2cccc(C(=O)N[C@@H]3CCc4ccccc43)c2)CC1 ZINC000016471750 204595778 /nfs/dbraw/zinc/59/57/78/204595778.db2.gz DYPWEWLVSYZRBW-HXUWFJFHSA-N 1 2 399.516 2.040 50 0 GEAALO CC[C@@H](C)[C@@H]1[NH2+]C2(CCN(S(=O)(=O)c3ccccc3)CC2)N(CC)C1=O ZINC000036029106 205002394 /nfs/dbraw/zinc/00/23/94/205002394.db2.gz QDRCHFOUHFSAMP-WBVHZDCISA-N 1 2 379.526 2.034 50 0 GEAALO CC[C@@H](C)C(=O)N1CC[NH+]([C@@H](C(=O)NCc2ccccn2)C2CCCC2)CC1 ZINC000036253552 205009935 /nfs/dbraw/zinc/00/99/35/205009935.db2.gz YYOKXBQMOLPDON-YLJYHZDGSA-N 1 2 386.540 2.447 50 0 GEAALO CC(C)NC(=O)N1CC[NH+]([C@H](C(=O)NCc2ccco2)C2CCCC2)CC1 ZINC000036310378 205011163 /nfs/dbraw/zinc/01/11/63/205011163.db2.gz JYORZOPIDCAWKD-SFHVURJKSA-N 1 2 376.501 2.190 50 0 GEAALO COC(=O)COc1coc(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)cc1=O ZINC000036366204 205015142 /nfs/dbraw/zinc/01/51/42/205015142.db2.gz BHGKOVIJGMLEOB-UHFFFAOYSA-N 1 2 392.839 2.167 50 0 GEAALO COc1ccc(/C=C/C(=O)N2CCN(c3ccc(-n4cc[nH+]c4)nn3)CC2)cc1 ZINC000070641056 205022994 /nfs/dbraw/zinc/02/29/94/205022994.db2.gz XHOMDYYZDRLTSE-RUDMXATFSA-N 1 2 390.447 2.033 50 0 GEAALO COc1c2c(c(S(=O)(=O)NC3CCCCC3)c3c1C[N@H+](C)CC3)OCO2 ZINC000040313253 205029461 /nfs/dbraw/zinc/02/94/61/205029461.db2.gz FOAULNOCZBAQAC-UHFFFAOYSA-N 1 2 382.482 2.023 50 0 GEAALO COc1c2c(c(S(=O)(=O)NC3CCCCC3)c3c1C[N@@H+](C)CC3)OCO2 ZINC000040313253 205029466 /nfs/dbraw/zinc/02/94/66/205029466.db2.gz FOAULNOCZBAQAC-UHFFFAOYSA-N 1 2 382.482 2.023 50 0 GEAALO O=C(c1ccc2c(c1)OCO2)N1CCN(c2cc(N3CCCCC3)[nH+]cn2)CC1 ZINC000038528396 205036741 /nfs/dbraw/zinc/03/67/41/205036741.db2.gz MKIUZAKBEGUQFD-UHFFFAOYSA-N 1 2 395.463 2.158 50 0 GEAALO O=C(c1ccc2c(c1)OCO2)N1CCN(c2cc(N3CCCCC3)nc[nH+]2)CC1 ZINC000038528396 205036745 /nfs/dbraw/zinc/03/67/45/205036745.db2.gz MKIUZAKBEGUQFD-UHFFFAOYSA-N 1 2 395.463 2.158 50 0 GEAALO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc(CNC(N)=O)cc1)c1ccccc1F ZINC000040013268 205045255 /nfs/dbraw/zinc/04/52/55/205045255.db2.gz RAGMTMMUIGPGQU-KRWDZBQOSA-N 1 2 381.411 2.247 50 0 GEAALO NC(=O)N[C@@H](CC(=O)NCc1cc[nH+]c(N2CCCC2)c1)c1ccccc1F ZINC000040069885 205049388 /nfs/dbraw/zinc/04/93/88/205049388.db2.gz VBCUBZSPRRLZFF-KRWDZBQOSA-N 1 2 385.443 2.237 50 0 GEAALO NC(=O)N[C@H](CC(=O)NCc1cc[nH+]c(N2CCCC2)c1)c1ccccc1F ZINC000040069884 205050048 /nfs/dbraw/zinc/05/00/48/205050048.db2.gz VBCUBZSPRRLZFF-QGZVFWFLSA-N 1 2 385.443 2.237 50 0 GEAALO O=C(NCc1ccccc1CN1CCCC1=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000040153071 205059271 /nfs/dbraw/zinc/05/92/71/205059271.db2.gz QIHXIXUZRRDSLS-UHFFFAOYSA-N 1 2 375.432 2.320 50 0 GEAALO COc1cccc(CN2CC[N@H+](Cc3cnc(N(C)C)s3)C[C@H]2CCO)c1 ZINC000039543646 205042533 /nfs/dbraw/zinc/04/25/33/205042533.db2.gz SRJVSXDOHSNJPY-QGZVFWFLSA-N 1 2 390.553 2.287 50 0 GEAALO COc1cccc(CN2CC[N@@H+](Cc3cnc(N(C)C)s3)C[C@H]2CCO)c1 ZINC000039543646 205042538 /nfs/dbraw/zinc/04/25/38/205042538.db2.gz SRJVSXDOHSNJPY-QGZVFWFLSA-N 1 2 390.553 2.287 50 0 GEAALO O=C(NCc1cc[nH+]c(N2CCCC2)c1)[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000042494314 205079655 /nfs/dbraw/zinc/07/96/55/205079655.db2.gz GTLYUWXYNQTSMD-SFHVURJKSA-N 1 2 385.512 2.226 50 0 GEAALO Cc1noc(C)c1C[NH+]1CCN(C(=O)CCc2nc(C(C)(C)C)no2)CC1 ZINC000048313856 205119299 /nfs/dbraw/zinc/11/92/99/205119299.db2.gz NFBXASCWVINHKN-UHFFFAOYSA-N 1 2 375.473 2.249 50 0 GEAALO O=C(CCNC(=O)c1ccc(F)cc1)N1CC[NH+](Cc2ccccc2F)CC1 ZINC000052960562 205135584 /nfs/dbraw/zinc/13/55/84/205135584.db2.gz SLUAXMJDXPWYEX-UHFFFAOYSA-N 1 2 387.430 2.429 50 0 GEAALO CS(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(F)c(Br)c2)C1 ZINC000054174949 205139776 /nfs/dbraw/zinc/13/97/76/205139776.db2.gz JEOFDIBPXKAXCX-LBPRGKRZSA-N 1 2 379.295 2.349 50 0 GEAALO CS(=O)(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(F)c(Br)c2)C1 ZINC000054174949 205139781 /nfs/dbraw/zinc/13/97/81/205139781.db2.gz JEOFDIBPXKAXCX-LBPRGKRZSA-N 1 2 379.295 2.349 50 0 GEAALO C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[N@@H+]1CCCN(C(=O)c2ccccn2)CC1 ZINC000058065441 205162993 /nfs/dbraw/zinc/16/29/93/205162993.db2.gz KMWAKWKEYIBWGH-KRWDZBQOSA-N 1 2 398.482 2.416 50 0 GEAALO C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[N@H+]1CCCN(C(=O)c2ccccn2)CC1 ZINC000058065441 205162997 /nfs/dbraw/zinc/16/29/97/205162997.db2.gz KMWAKWKEYIBWGH-KRWDZBQOSA-N 1 2 398.482 2.416 50 0 GEAALO O=C(CCCn1c(=O)oc2ccccc21)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000058014184 205163007 /nfs/dbraw/zinc/16/30/07/205163007.db2.gz FUVPCKCRFNJHEE-UHFFFAOYSA-N 1 2 377.404 2.272 50 0 GEAALO C[C@@H]1C[NH+]=C2C(N3CCN(C(=O)Cc4c(F)cccc4Cl)CC3)=NC=CN21 ZINC000065261079 205224188 /nfs/dbraw/zinc/22/41/88/205224188.db2.gz KVKOXJQHUDVQGB-CYBMUJFWSA-N 1 2 389.862 2.152 50 0 GEAALO COc1ccc(Cl)cc1C(=O)N1CCN(C2=NC=CN3C[C@@H](C)[NH+]=C23)CC1 ZINC000065265311 205224249 /nfs/dbraw/zinc/22/42/49/205224249.db2.gz SPYPMMGFHPBNSN-CYBMUJFWSA-N 1 2 387.871 2.092 50 0 GEAALO C[C@H]1C[NH+]=C2C(N3CCN(C(=O)c4ccccc4C(F)(F)F)CC3)=NC=CN21 ZINC000065261073 205224439 /nfs/dbraw/zinc/22/44/39/205224439.db2.gz BOADUKGQRXLIHH-ZDUSSCGKSA-N 1 2 391.397 2.449 50 0 GEAALO O=C(NCC[NH+]1CCOCC1)[C@H]1CN(C(=O)c2ccccc2)CC12CCCCC2 ZINC000065266073 205225045 /nfs/dbraw/zinc/22/50/45/205225045.db2.gz JXFAIHDBPDICOO-HXUWFJFHSA-N 1 2 399.535 2.158 50 0 GEAALO CCCNc1cc(N2CCC(CCC(=O)NCc3cnccn3)CC2)nc[nH+]1 ZINC000065274206 205225838 /nfs/dbraw/zinc/22/58/38/205225838.db2.gz OGNJWKQZVPASGV-UHFFFAOYSA-N 1 2 383.500 2.402 50 0 GEAALO CCCNc1cc(N2CCC(CCC(=O)NCc3cnccn3)CC2)[nH+]cn1 ZINC000065274206 205225845 /nfs/dbraw/zinc/22/58/45/205225845.db2.gz OGNJWKQZVPASGV-UHFFFAOYSA-N 1 2 383.500 2.402 50 0 GEAALO COc1cccc(C[NH+]2CCN(c3nc4ccccc4n3CCO)CC2)c1F ZINC000065431174 205235011 /nfs/dbraw/zinc/23/50/11/205235011.db2.gz LENZMFOJEQHLGB-UHFFFAOYSA-N 1 2 384.455 2.499 50 0 GEAALO CC(=O)N1CCc2cc(S(=O)(=O)NCc3ccc(-n4cc[nH+]c4)cc3)ccc21 ZINC000066871749 205241509 /nfs/dbraw/zinc/24/15/09/205241509.db2.gz GAGUTGWCEQLXGB-UHFFFAOYSA-N 1 2 396.472 2.260 50 0 GEAALO CCc1nnc(C[N@H+](C)C[C@]2(O)CCCN(CCC3CCCCC3)C2=O)o1 ZINC000067603944 205251028 /nfs/dbraw/zinc/25/10/28/205251028.db2.gz PNCCQGAXXHNLHR-HXUWFJFHSA-N 1 2 378.517 2.388 50 0 GEAALO CCc1nnc(C[N@@H+](C)C[C@]2(O)CCCN(CCC3CCCCC3)C2=O)o1 ZINC000067603944 205251033 /nfs/dbraw/zinc/25/10/33/205251033.db2.gz PNCCQGAXXHNLHR-HXUWFJFHSA-N 1 2 378.517 2.388 50 0 GEAALO CC(=O)Nc1ccccc1NC(=O)C[NH+]1CCC(O)(c2ccc(C)cn2)CC1 ZINC000067712595 205255805 /nfs/dbraw/zinc/25/58/05/205255805.db2.gz PENPZOZKDWXMRD-UHFFFAOYSA-N 1 2 382.464 2.271 50 0 GEAALO COc1ncccc1C(=O)NCc1ccc[nH+]c1N(C)CCc1ccccn1 ZINC000067867985 205264911 /nfs/dbraw/zinc/26/49/11/205264911.db2.gz PREPNKWWJGSNCC-UHFFFAOYSA-N 1 2 377.448 2.489 50 0 GEAALO O=C(C[N@@H+]1CCc2onc(-c3ccc4c(c3)OCO4)c2C1)NCc1ccccn1 ZINC000067894663 205267183 /nfs/dbraw/zinc/26/71/83/205267183.db2.gz MWEHEKKMWLRINS-UHFFFAOYSA-N 1 2 392.415 2.140 50 0 GEAALO O=C(C[N@H+]1CCc2onc(-c3ccc4c(c3)OCO4)c2C1)NCc1ccccn1 ZINC000067894663 205267186 /nfs/dbraw/zinc/26/71/86/205267186.db2.gz MWEHEKKMWLRINS-UHFFFAOYSA-N 1 2 392.415 2.140 50 0 GEAALO Cc1ccc(C2(O)CCN(C(=O)[C@H](Cc3c[nH+]c[nH]3)n3cccc3)CC2)nc1 ZINC000067964789 205270764 /nfs/dbraw/zinc/27/07/64/205270764.db2.gz IVJOAYHTKAVYON-SFHVURJKSA-N 1 2 379.464 2.209 50 0 GEAALO Cc1ccc(C2(O)CCN(C(=O)[C@H](Cc3c[nH]c[nH+]3)n3cccc3)CC2)nc1 ZINC000067964789 205270769 /nfs/dbraw/zinc/27/07/69/205270769.db2.gz IVJOAYHTKAVYON-SFHVURJKSA-N 1 2 379.464 2.209 50 0 GEAALO Cc1nnnn1-c1ccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC000071285246 205281011 /nfs/dbraw/zinc/28/10/11/205281011.db2.gz LERXPVXRWGKNPM-VMPITWQZSA-N 1 2 388.475 2.442 50 0 GEAALO COc1ccc(NC(=O)N2CCCSC[C@@H]2C[NH+]2CCOCC2)cc1OC ZINC000090609179 205275377 /nfs/dbraw/zinc/27/53/77/205275377.db2.gz YYGWYONOBJWEJU-INIZCTEOSA-N 1 2 395.525 2.375 50 0 GEAALO Cc1cccc(CN2CC[N@H+](Cc3ccc(N4CCNC4=O)cc3)CC2=O)c1 ZINC000072147370 205309841 /nfs/dbraw/zinc/30/98/41/205309841.db2.gz VUVXLMHCONFYIH-UHFFFAOYSA-N 1 2 378.476 2.369 50 0 GEAALO Cc1cccc(CN2CC[N@@H+](Cc3ccc(N4CCNC4=O)cc3)CC2=O)c1 ZINC000072147370 205309844 /nfs/dbraw/zinc/30/98/44/205309844.db2.gz VUVXLMHCONFYIH-UHFFFAOYSA-N 1 2 378.476 2.369 50 0 GEAALO NC(=O)c1cccc(C[C@@H]2CCN(C(=O)CCc3cn4ccccc4[nH+]3)C2)c1 ZINC000072173816 205317198 /nfs/dbraw/zinc/31/71/98/205317198.db2.gz JYFFUNPJQMBALA-KRWDZBQOSA-N 1 2 376.460 2.457 50 0 GEAALO COc1cccc(N2C[C@@H](C(=O)N3CCC(Cn4cc[nH+]c4)CC3)CC2=O)c1 ZINC000062017546 206104160 /nfs/dbraw/zinc/10/41/60/206104160.db2.gz OQUHGHSAZUFXMA-KRWDZBQOSA-N 1 2 382.464 2.183 50 0 GEAALO O=C(C[NH+]1CC(c2nc(-c3ccco3)no2)C1)Nc1ccc2c(c1)OCCO2 ZINC000096024277 206114765 /nfs/dbraw/zinc/11/47/65/206114765.db2.gz QVNVEFRAHRDERH-UHFFFAOYSA-N 1 2 382.376 2.139 50 0 GEAALO COc1cc(Br)c(C[NH+]2CCC(c3nc(=O)[nH][nH]3)CC2)c(OC)c1 ZINC000239667908 206127142 /nfs/dbraw/zinc/12/71/42/206127142.db2.gz BRXRCKPFECPAFM-UHFFFAOYSA-N 1 2 397.273 2.257 50 0 GEAALO CCOc1ccccc1C(=O)N[C@H]1C[C@H](c2nnc(Cn3cc[nH+]c3)n2C)C1 ZINC000244795438 206130786 /nfs/dbraw/zinc/13/07/86/206130786.db2.gz RGJIGSSDSMELCH-SHTZXODSSA-N 1 2 380.452 2.135 50 0 GEAALO Cn1c(C[NH+](C)C)nnc1[C@H]1C[C@@H](NC(=O)c2conc2-c2ccccc2)C1 ZINC000244852900 206131977 /nfs/dbraw/zinc/13/19/77/206131977.db2.gz VBHWHPHKTXTJHB-GASCZTMLSA-N 1 2 380.452 2.208 50 0 GEAALO CCc1cc(N2CC[NH+](Cc3cc(=O)n4cc(Cl)ccc4n3)CC2)ncn1 ZINC000299766466 206187057 /nfs/dbraw/zinc/18/70/57/206187057.db2.gz JDVYXVVXZKSORI-UHFFFAOYSA-N 1 2 384.871 2.023 50 0 GEAALO CC[C@@H]1C(=O)NCC[N@H+]1Cc1ccc2c(c1)CN(Cc1nccs1)CCO2 ZINC000299769288 206189071 /nfs/dbraw/zinc/18/90/71/206189071.db2.gz LOADRVDFFKSULT-QGZVFWFLSA-N 1 2 386.521 2.248 50 0 GEAALO CC[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc2c(c1)CN(Cc1nccs1)CCO2 ZINC000299769288 206189076 /nfs/dbraw/zinc/18/90/76/206189076.db2.gz LOADRVDFFKSULT-QGZVFWFLSA-N 1 2 386.521 2.248 50 0 GEAALO Cc1ccc(C)c(OC(=O)c2cccc(S(=O)(=O)N3CC[NH+](C)CC3)c2)c1 ZINC000012904736 221243731 /nfs/dbraw/zinc/24/37/31/221243731.db2.gz OEWITSHJNHWRLX-UHFFFAOYSA-N 1 2 388.489 2.459 50 0 GEAALO CCc1ccccc1NC(=O)CN(C)C(=O)C[NH+]1CCN(c2ccccc2)CC1 ZINC000057449612 132452376 /nfs/dbraw/zinc/45/23/76/132452376.db2.gz IZYCJVVVYCKACI-UHFFFAOYSA-N 1 2 394.519 2.468 50 0 GEAALO O=C(NCCC[NH+]1CCOCC1)c1nc(-c2ccc(N3CCCCC3)cc2)no1 ZINC000064746323 136157581 /nfs/dbraw/zinc/15/75/81/136157581.db2.gz RFPLFKCJGFLUOH-UHFFFAOYSA-N 1 2 399.495 2.179 50 0 GEAALO COc1ccccc1NC(=O)N1CCN(c2cc(-n3cccn3)nc(C)[nH+]2)CC1 ZINC000065364806 136163639 /nfs/dbraw/zinc/16/36/39/136163639.db2.gz XYDNYEAFGQJOGT-UHFFFAOYSA-N 1 2 393.451 2.333 50 0 GEAALO Cc1nc(-n2cccn2)cc(N2CC[C@@H](c3ccc4c(c3)OCO4)[C@H](O)C2)[nH+]1 ZINC000067790076 136164888 /nfs/dbraw/zinc/16/48/88/136164888.db2.gz ZIONXMAFTCNAFZ-JKSUJKDBSA-N 1 2 379.420 2.054 50 0 GEAALO O=C1[C@@H]([NH+]2CCN(c3nccc(C(F)(F)F)n3)CC2)CCN1c1ccccc1 ZINC000068828459 136165123 /nfs/dbraw/zinc/16/51/23/136165123.db2.gz PRGIRJZBQRSIAA-HNNXBMFYSA-N 1 2 391.397 2.423 50 0 GEAALO O=C(N1CCC[C@@H]([NH+]2CCN(c3ccc(F)cc3)CC2)C1)C1(O)CCCC1 ZINC000072157939 136166960 /nfs/dbraw/zinc/16/69/60/136166960.db2.gz FBYBBURAYIJSPZ-LJQANCHMSA-N 1 2 375.488 2.244 50 0 GEAALO COc1cccc(C(=O)N2CCN(c3cc(-n4c[nH+]c(C)c4C)ncn3)CC2)c1 ZINC000072437975 136170493 /nfs/dbraw/zinc/17/04/93/136170493.db2.gz DFVRYINNOOWIDA-UHFFFAOYSA-N 1 2 392.463 2.250 50 0 GEAALO Cc1ccccc1N1CCN(C(=O)[C@@H](c2cccnc2)[NH+]2CCCC2)CC1=O ZINC000082134280 136173991 /nfs/dbraw/zinc/17/39/91/136173991.db2.gz GNVCPHQEFQCURP-OAQYLSRUSA-N 1 2 378.476 2.402 50 0 GEAALO CC(C)=CCN1CC2(CC1=O)CCN(c1cc(N3CCCC3)[nH+]c(N)n1)CC2 ZINC000091691198 136177034 /nfs/dbraw/zinc/17/70/34/136177034.db2.gz VXHQZYJODDBAIY-UHFFFAOYSA-N 1 2 384.528 2.444 50 0 GEAALO CC(C)=CCN1CC2(CC1=O)CCN(c1cc(N3CCCC3)nc(N)[nH+]1)CC2 ZINC000091691198 136177035 /nfs/dbraw/zinc/17/70/35/136177035.db2.gz VXHQZYJODDBAIY-UHFFFAOYSA-N 1 2 384.528 2.444 50 0 GEAALO CC(=O)c1ccc(N2CCC3(CCC(=O)N(CCc4c[nH+]c[nH]4)C3)CC2)nc1 ZINC000092107382 136177541 /nfs/dbraw/zinc/17/75/41/136177541.db2.gz PCNHKMALHDKNPE-UHFFFAOYSA-N 1 2 381.480 2.459 50 0 GEAALO CC(=O)c1ccc(N2CCC3(CCC(=O)N(CCc4c[nH]c[nH+]4)C3)CC2)nc1 ZINC000092107382 136177542 /nfs/dbraw/zinc/17/75/42/136177542.db2.gz PCNHKMALHDKNPE-UHFFFAOYSA-N 1 2 381.480 2.459 50 0 GEAALO Cc1noc(CCC[NH+]2CCN([C@@H]3CCCN(c4ccccc4)C3=O)CC2)n1 ZINC000095999697 136183125 /nfs/dbraw/zinc/18/31/25/136183125.db2.gz NOKLLPQHWKGNPV-LJQANCHMSA-N 1 2 383.496 2.124 50 0 GEAALO Cc1noc(CCCN2CC[NH+]([C@@H]3CCCN(c4ccccc4)C3=O)CC2)n1 ZINC000095999697 136183126 /nfs/dbraw/zinc/18/31/26/136183126.db2.gz NOKLLPQHWKGNPV-LJQANCHMSA-N 1 2 383.496 2.124 50 0 GEAALO COc1ccc(-c2nnc(N3CC[NH+](Cc4ccccc4)CC3)[nH]c2=O)cc1 ZINC000019689580 136202342 /nfs/dbraw/zinc/20/23/42/136202342.db2.gz PGUBIZODMDZNAR-UHFFFAOYSA-N 1 2 377.448 2.163 50 0 GEAALO COc1ccccc1N1CC[NH+](C[C@H](O)COc2ccccc2C(C)=O)CC1 ZINC000022608522 136204205 /nfs/dbraw/zinc/20/42/05/136204205.db2.gz LUKBTGVFHUVGRT-SFHVURJKSA-N 1 2 384.476 2.460 50 0 GEAALO COc1cccc(-c2cc(CNC(=O)c3cc4n(n3)CCC[N@H+](C)C4)no2)c1 ZINC000065435257 222129441 /nfs/dbraw/zinc/12/94/41/222129441.db2.gz CFOPQXHHLAZKLN-UHFFFAOYSA-N 1 2 381.436 2.312 50 0 GEAALO COc1cccc(-c2cc(CNC(=O)c3cc4n(n3)CCC[N@@H+](C)C4)no2)c1 ZINC000065435257 222129443 /nfs/dbraw/zinc/12/94/43/222129443.db2.gz CFOPQXHHLAZKLN-UHFFFAOYSA-N 1 2 381.436 2.312 50 0 GEAALO Cc1ccc(-c2cc(C(=O)N3CCC[C@@H](c4nnc(C[NH+](C)C)n4C)C3)[nH]n2)o1 ZINC000426571749 534170887 /nfs/dbraw/zinc/17/08/87/534170887.db2.gz ZPWCJPAWCJBCGA-CQSZACIVSA-N 1 2 397.483 2.188 50 0 GEAALO Cc1ccn2cc(CNC(=O)N3CCCN(C(=O)c4ccco4)CC3)[nH+]c2c1 ZINC000426359449 534360992 /nfs/dbraw/zinc/36/09/92/534360992.db2.gz FFOZOOBEINNGBR-UHFFFAOYSA-N 1 2 381.436 2.293 50 0 GEAALO O=C(Cn1cc[nH+]c1)N1CCC[C@H]1c1ccc(C(=O)N2CCCOCC2)s1 ZINC000023505465 527391575 /nfs/dbraw/zinc/39/15/75/527391575.db2.gz XFLQQLGBVKEFPZ-HNNXBMFYSA-N 1 2 388.493 2.171 50 0 GEAALO COc1ccccc1N1CC[NH+]([C@@H]2CC(=O)N(c3ccc(C)cc3)C2=O)CC1 ZINC000022358471 537068917 /nfs/dbraw/zinc/06/89/17/537068917.db2.gz HRFLDVDPISRLBM-LJQANCHMSA-N 1 2 379.460 2.458 50 0 GEAALO CN1CC[NH+]([C@H]2CN(C(=O)Nc3ccccc3-c3ccccc3)C[C@@H]2O)CC1 ZINC000096137317 570212181 /nfs/dbraw/zinc/21/21/81/570212181.db2.gz NXIWGQYEDAKOPI-SFTDATJTSA-N 1 2 380.492 2.178 50 0 GEAALO O=C(c1cccnc1)N1CCC(c2nnc(Cn3cc[nH+]c3)n2C2CC2)CC1 ZINC000096136314 570212343 /nfs/dbraw/zinc/21/23/43/570212343.db2.gz ALXRCKBMFXNOCZ-UHFFFAOYSA-N 1 2 377.452 2.273 50 0 GEAALO CCn1c(C[NH+]2CCCC2)nnc1C1CCN(C(=O)c2ncccc2O)CC1 ZINC000096148100 570214556 /nfs/dbraw/zinc/21/45/56/570214556.db2.gz CMLJVQVZHWKIEU-UHFFFAOYSA-N 1 2 384.484 2.014 50 0 GEAALO CCc1[nH+]c(C)ccc1OCc1nc(C2CC2)nn1[C@@H]1CCS(=O)(=O)C1 ZINC000096166446 570218412 /nfs/dbraw/zinc/21/84/12/570218412.db2.gz GZIOZZTVHIYLPM-CQSZACIVSA-N 1 2 376.482 2.360 50 0 GEAALO O=C(CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1)Nc1ccc(F)cc1F ZINC000019873611 570226568 /nfs/dbraw/zinc/22/65/68/570226568.db2.gz SMVXFJKNMOPVAF-UHFFFAOYSA-N 1 2 389.402 2.450 50 0 GEAALO Cc1nc2n(n1)C(=O)C([C@@H](c1cccc(C)c1)[NH+]1CCC(C(N)=O)CC1)S2 ZINC000022627542 570228677 /nfs/dbraw/zinc/22/86/77/570228677.db2.gz IOQUMQJJLGIYJF-OAHLLOKOSA-N 1 2 385.493 2.400 50 0 GEAALO Cc1c(CNc2ccc(C(=O)N3CCC[C@H](Cn4cc[nH+]c4)C3)cn2)cnn1C ZINC000019939028 570232322 /nfs/dbraw/zinc/23/23/22/570232322.db2.gz YPCMPCXMQLCRSR-QGZVFWFLSA-N 1 2 393.495 2.485 50 0 GEAALO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1CC(=O)Nc1ccccc1C(=O)NC1CC1 ZINC000247808062 570249064 /nfs/dbraw/zinc/24/90/64/570249064.db2.gz AYSOVQPLCMHWBC-ZMYBRWDISA-N 1 2 399.491 2.323 50 0 GEAALO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1CC(=O)Nc1ccccc1C(=O)NC1CC1 ZINC000247808062 570249066 /nfs/dbraw/zinc/24/90/66/570249066.db2.gz AYSOVQPLCMHWBC-ZMYBRWDISA-N 1 2 399.491 2.323 50 0 GEAALO Cn1nc2cccc(NC(=O)N3CC[NH+](CCOc4ccccc4)CC3)c2n1 ZINC000097711703 570250397 /nfs/dbraw/zinc/25/03/97/570250397.db2.gz ZWLVRTUCSPISDZ-UHFFFAOYSA-N 1 2 380.452 2.197 50 0 GEAALO COc1cc(C[N@@H+]2CCN(Cc3nccs3)C[C@H]2CCO)cc(OC)c1 ZINC000104489859 570259394 /nfs/dbraw/zinc/25/93/94/570259394.db2.gz BZHQXAJZKGUJEL-MRXNPFEDSA-N 1 2 377.510 2.229 50 0 GEAALO COc1cc(C[N@H+]2CCN(Cc3nccs3)C[C@H]2CCO)cc(OC)c1 ZINC000104489859 570259395 /nfs/dbraw/zinc/25/93/95/570259395.db2.gz BZHQXAJZKGUJEL-MRXNPFEDSA-N 1 2 377.510 2.229 50 0 GEAALO COc1cc(C[N@@H+]2CCN(Cc3ccc(O)cc3)C[C@H]2CCO)cc(OC)c1 ZINC000104503415 570259514 /nfs/dbraw/zinc/25/95/14/570259514.db2.gz MJTQXMIWGSCQIV-LJQANCHMSA-N 1 2 386.492 2.478 50 0 GEAALO COc1cc(C[N@H+]2CCN(Cc3ccc(O)cc3)C[C@H]2CCO)cc(OC)c1 ZINC000104503415 570259518 /nfs/dbraw/zinc/25/95/18/570259518.db2.gz MJTQXMIWGSCQIV-LJQANCHMSA-N 1 2 386.492 2.478 50 0 GEAALO CCN1CC[NH+](C2(C(=O)N3CCC[C@@H](COC)C3)Cc3ccccc3C2)CC1 ZINC000020536148 570266225 /nfs/dbraw/zinc/26/62/25/570266225.db2.gz VJHHAKMCPYXKTD-LJQANCHMSA-N 1 2 385.552 2.047 50 0 GEAALO C[C@@H](NC(=O)N1CC[NH+](Cc2cccnc2)CC1)c1ccc2c(c1)OCCO2 ZINC000043481679 570276714 /nfs/dbraw/zinc/27/67/14/570276714.db2.gz JHJFCZCGLGQHPZ-MRXNPFEDSA-N 1 2 382.464 2.441 50 0 GEAALO O=C(C[C@H](c1ccccc1)c1ccc2c(c1)OCO2)NCC[NH+]1CCOCC1 ZINC000020999103 570286700 /nfs/dbraw/zinc/28/67/00/570286700.db2.gz DBIKFJGHURDIJH-LJQANCHMSA-N 1 2 382.460 2.386 50 0 GEAALO COC(=O)c1ccc(CNC(=O)NCc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000012907327 570289850 /nfs/dbraw/zinc/28/98/50/570289850.db2.gz STDHUKRGYPEZTI-UHFFFAOYSA-N 1 2 397.475 2.305 50 0 GEAALO Cn1cc(C[N@H+](C)CC(=O)N2c3ccccc3NC(=O)C[C@H]2C(F)(F)F)cn1 ZINC000021308604 570289889 /nfs/dbraw/zinc/28/98/89/570289889.db2.gz HLAMKNRYNNHBLL-HNNXBMFYSA-N 1 2 395.385 2.158 50 0 GEAALO Cn1cc(C[N@@H+](C)CC(=O)N2c3ccccc3NC(=O)C[C@H]2C(F)(F)F)cn1 ZINC000021308604 570289890 /nfs/dbraw/zinc/28/98/90/570289890.db2.gz HLAMKNRYNNHBLL-HNNXBMFYSA-N 1 2 395.385 2.158 50 0 GEAALO O=C(NC1CCCCC1)c1coc(CN2CC[NH+](Cc3ccccn3)CC2)n1 ZINC000034678122 570294569 /nfs/dbraw/zinc/29/45/69/570294569.db2.gz GSWNTJRTBCVZNZ-UHFFFAOYSA-N 1 2 383.496 2.450 50 0 GEAALO O=S(=O)(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccccc1Br ZINC000159294710 570296781 /nfs/dbraw/zinc/29/67/81/570296781.db2.gz DFUANHUFIJZEOZ-GFCCVEGCSA-N 1 2 382.283 2.401 50 0 GEAALO CC1=C[C@H]([NH+]2CCN(c3ccccc3)CC2)[C@H](C2C(=O)OC(C)(C)OC2=O)C1=O ZINC000000715811 570303134 /nfs/dbraw/zinc/30/31/34/570303134.db2.gz RAJNCSVIONOROJ-DLBZAZTESA-N 1 2 398.459 2.402 50 0 GEAALO C[C@H](C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)n1nc2c(cc1=O)CCC2 ZINC000575609258 570332425 /nfs/dbraw/zinc/33/24/25/570332425.db2.gz SVRHPIDVFGHBMB-AHKGRUIUSA-N 1 2 392.503 2.151 50 0 GEAALO C[C@H](C(=O)Nc1ccc(Cl)cc1F)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000022912830 570333732 /nfs/dbraw/zinc/33/37/32/570333732.db2.gz VCXSELRXQHZTJM-CQSZACIVSA-N 1 2 396.894 2.046 50 0 GEAALO COC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000575614043 570339946 /nfs/dbraw/zinc/33/99/46/570339946.db2.gz VNAQQTBFJHPENQ-MRXNPFEDSA-N 1 2 391.449 2.492 50 0 GEAALO O=C(COc1ccccc1)NC(=S)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000022388049 570342361 /nfs/dbraw/zinc/34/23/61/570342361.db2.gz KWRWAGFSPQSGHN-UHFFFAOYSA-N 1 2 385.489 2.411 50 0 GEAALO O=C(C[N@H+]1CC=C(c2cnn(-c3ccc(F)cc3)c2)CC1)NC[C@H]1CCCO1 ZINC000035404430 570351184 /nfs/dbraw/zinc/35/11/84/570351184.db2.gz HKDTYTJWYMQLPP-HXUWFJFHSA-N 1 2 384.455 2.396 50 0 GEAALO O=C(C[N@@H+]1CC=C(c2cnn(-c3ccc(F)cc3)c2)CC1)NC[C@H]1CCCO1 ZINC000035404430 570351188 /nfs/dbraw/zinc/35/11/88/570351188.db2.gz HKDTYTJWYMQLPP-HXUWFJFHSA-N 1 2 384.455 2.396 50 0 GEAALO COc1ccc(OC)c(S(=O)(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)c1 ZINC000035413615 570353542 /nfs/dbraw/zinc/35/35/42/570353542.db2.gz MGDDIYMFSYJRIU-KRWDZBQOSA-N 1 2 376.478 2.381 50 0 GEAALO COc1ccc(OC)c(S(=O)(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)c1 ZINC000035413615 570353546 /nfs/dbraw/zinc/35/35/46/570353546.db2.gz MGDDIYMFSYJRIU-KRWDZBQOSA-N 1 2 376.478 2.381 50 0 GEAALO O=C1N[C@]2(CCc3ccccc3C2)C(=O)N1C[NH+]1CCN(c2ccccc2)CC1 ZINC000023408755 570361238 /nfs/dbraw/zinc/36/12/38/570361238.db2.gz QIKSFQNGPSUQJU-QHCPKHFHSA-N 1 2 390.487 2.246 50 0 GEAALO CCCN(C(=O)C[NH+]1CCN(c2ncnc3c2cnn3C)CC1)C1=CCCCC1 ZINC000023662256 570368755 /nfs/dbraw/zinc/36/87/55/570368755.db2.gz BOMQJWJAXKPPRB-UHFFFAOYSA-N 1 2 397.527 2.182 50 0 GEAALO Cc1ccccc1C(=O)NCCC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000024275988 570381402 /nfs/dbraw/zinc/38/14/02/570381402.db2.gz VXCBRXFTOXNHHE-UHFFFAOYSA-N 1 2 395.503 2.264 50 0 GEAALO COC(=O)c1cccc(S(=O)(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2)c1 ZINC000024363505 570382884 /nfs/dbraw/zinc/38/28/84/570382884.db2.gz AGPMBLFGCQTNJA-KRWDZBQOSA-N 1 2 385.445 2.275 50 0 GEAALO CCOC(=O)[C@H]([NH3+])CS[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O ZINC000100570397 570400355 /nfs/dbraw/zinc/40/03/55/570400355.db2.gz JPLJLTKJJCDXKY-NEPJUHHUSA-N 1 2 391.276 2.249 50 0 GEAALO COC(=O)c1ccc2c(c1)nc(C[N@H+](C)Cc1ccc3c(c1)OCO3)[nH]c2=O ZINC000024983599 570401437 /nfs/dbraw/zinc/40/14/37/570401437.db2.gz VBGYSIOXSWJBLN-UHFFFAOYSA-N 1 2 381.388 2.483 50 0 GEAALO COC(=O)c1ccc2c(c1)nc(C[N@@H+](C)Cc1ccc3c(c1)OCO3)[nH]c2=O ZINC000024983599 570401442 /nfs/dbraw/zinc/40/14/42/570401442.db2.gz VBGYSIOXSWJBLN-UHFFFAOYSA-N 1 2 381.388 2.483 50 0 GEAALO O=C(CCn1cnc2sccc2c1=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000025397533 570412830 /nfs/dbraw/zinc/41/28/30/570412830.db2.gz AZGVBNCQTDNOSH-UHFFFAOYSA-N 1 2 388.518 2.254 50 0 GEAALO COc1ccc([C@H](CNc2nnnn2-c2ccccc2)[NH+]2CCOCC2)cc1 ZINC000025784702 570419803 /nfs/dbraw/zinc/41/98/03/570419803.db2.gz BUWHUGQJQADDET-IBGZPJMESA-N 1 2 380.452 2.156 50 0 GEAALO O=C(NCc1cc[nH+]c(N2CCOCC2)c1)Nc1cccc(Cn2cccn2)c1 ZINC000044247752 570432395 /nfs/dbraw/zinc/43/23/95/570432395.db2.gz RJIXLERSXCBBMR-UHFFFAOYSA-N 1 2 392.463 2.485 50 0 GEAALO O=C(C[NH+]1CCC(NC(=O)c2ccc(F)cc2)CC1)NCc1cccs1 ZINC000027436146 570434564 /nfs/dbraw/zinc/43/45/64/570434564.db2.gz HFCTZUUODZTQMK-UHFFFAOYSA-N 1 2 375.469 2.398 50 0 GEAALO COc1ccc([C@@H](CNS(=O)(=O)c2ncn(C)c2Cl)[NH+]2CCCC2)cc1 ZINC000027946812 570445289 /nfs/dbraw/zinc/44/52/89/570445289.db2.gz FXGHIRPHHTVDNZ-OAHLLOKOSA-N 1 2 398.916 2.198 50 0 GEAALO COc1ccccc1C[N@H+](C)CC(=O)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000016563757 570447337 /nfs/dbraw/zinc/44/73/37/570447337.db2.gz BETCFNYJZPXCLR-UHFFFAOYSA-N 1 2 385.420 2.247 50 0 GEAALO COc1ccccc1C[N@@H+](C)CC(=O)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000016563757 570447343 /nfs/dbraw/zinc/44/73/43/570447343.db2.gz BETCFNYJZPXCLR-UHFFFAOYSA-N 1 2 385.420 2.247 50 0 GEAALO Cc1ccc(CN(C)C(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)nc1 ZINC000252483110 570474702 /nfs/dbraw/zinc/47/47/02/570474702.db2.gz DVGOZJMFYOHANB-UHFFFAOYSA-N 1 2 398.507 2.443 50 0 GEAALO COc1ccccc1N1C(=O)C[C@@H]([N@@H+]2CCc3cc(OC)c(OC)cc3C2)C1=O ZINC000022609160 570478611 /nfs/dbraw/zinc/47/86/11/570478611.db2.gz PTJBROLSWPRGPA-QGZVFWFLSA-N 1 2 396.443 2.403 50 0 GEAALO COc1ccccc1N1C(=O)C[C@@H]([N@H+]2CCc3cc(OC)c(OC)cc3C2)C1=O ZINC000022609160 570478617 /nfs/dbraw/zinc/47/86/17/570478617.db2.gz PTJBROLSWPRGPA-QGZVFWFLSA-N 1 2 396.443 2.403 50 0 GEAALO COc1ccc(C[NH+]2CCN(C(=O)CCNC(=O)c3ccccc3C)CC2)cc1 ZINC000030536071 570490390 /nfs/dbraw/zinc/49/03/90/570490390.db2.gz WNFKAQJTMMXEPU-UHFFFAOYSA-N 1 2 395.503 2.468 50 0 GEAALO Cc1cccc2c(=O)n(CC(=O)OCc3ccc(-n4cc[nH+]c4)nc3)cnc12 ZINC000072314109 570653150 /nfs/dbraw/zinc/65/31/50/570653150.db2.gz ZYQKGQRPMGZYKR-UHFFFAOYSA-N 1 2 375.388 2.029 50 0 GEAALO Cc1cccc([C@@H]2CC(=O)c3c(C)nc(N4CC[NH+](CCO)CC4)nc3C2)c1 ZINC000012653529 570695624 /nfs/dbraw/zinc/69/56/24/570695624.db2.gz DCAATVPWQXFWQE-SFHVURJKSA-N 1 2 380.492 2.120 50 0 GEAALO O=C(CC[C@@H]1CCCN(C(=O)Nc2ccccc2)C1)NCC[NH+]1CCOCC1 ZINC000065136832 570707914 /nfs/dbraw/zinc/70/79/14/570707914.db2.gz MCJUUQDOKHQGSJ-SFHVURJKSA-N 1 2 388.512 2.159 50 0 GEAALO O=S(=O)(c1ccc2c(c1)CCC2)N1CC[NH+](Cn2cnc3ccccc32)CC1 ZINC000018897232 570711947 /nfs/dbraw/zinc/71/19/47/570711947.db2.gz PCULKUSLFRIVPJ-UHFFFAOYSA-N 1 2 396.516 2.489 50 0 GEAALO Cn1cc[nH+]c1[C@@H](NS(=O)(=O)c1cccc2nsnc21)c1ccccc1 ZINC000019080119 570731242 /nfs/dbraw/zinc/73/12/42/570731242.db2.gz SHDSISJTXVWDSE-HNNXBMFYSA-N 1 2 385.474 2.493 50 0 GEAALO O=C(CC[C@@H]1CCCN(c2ncccn2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000013636686 570765304 /nfs/dbraw/zinc/76/53/04/570765304.db2.gz UCVQZMSQCWVVEB-SFHVURJKSA-N 1 2 380.496 2.217 50 0 GEAALO Cc1nn(-c2ccccc2)nc1C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000032741141 570786666 /nfs/dbraw/zinc/78/66/66/570786666.db2.gz CQNHETUGGYLQJW-UHFFFAOYSA-N 1 2 391.475 2.338 50 0 GEAALO Cn1ccnc1[C@@H](NC(=O)NCC(C)(C)[NH+]1CCOCC1)c1ccccc1F ZINC000032809091 570823498 /nfs/dbraw/zinc/82/34/98/570823498.db2.gz LUGNFONQBVJYPT-KRWDZBQOSA-N 1 2 389.475 2.059 50 0 GEAALO Cc1ccccc1NC(=O)C[NH+]1CCC(NS(=O)(=O)c2ccccc2)CC1 ZINC000014141053 570825287 /nfs/dbraw/zinc/82/52/87/570825287.db2.gz QUHUYQRGHXELKL-UHFFFAOYSA-N 1 2 387.505 2.376 50 0 GEAALO O=c1c(=O)c(N2CC[NH+](Cc3ccccc3)CC2)c1NCCc1ccccc1 ZINC000101695510 570829115 /nfs/dbraw/zinc/82/91/15/570829115.db2.gz OMJMFGBJLYJANN-UHFFFAOYSA-N 1 2 375.472 2.259 50 0 GEAALO C[N@H+](CC(=O)NCc1ccco1)CC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000014247945 570837633 /nfs/dbraw/zinc/83/76/33/570837633.db2.gz BSSMKCFZVKMNPK-UHFFFAOYSA-N 1 2 383.492 2.309 50 0 GEAALO C[N@@H+](CC(=O)NCc1ccco1)CC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000014247945 570837635 /nfs/dbraw/zinc/83/76/35/570837635.db2.gz BSSMKCFZVKMNPK-UHFFFAOYSA-N 1 2 383.492 2.309 50 0 GEAALO CCN1C[C@@H](C[N@H+](C)CN2C(=O)NC3(CCCCC3)C2=O)Oc2ccccc21 ZINC000012543965 570844069 /nfs/dbraw/zinc/84/40/69/570844069.db2.gz IUJXZHOTRBJYOY-MRXNPFEDSA-N 1 2 386.496 2.418 50 0 GEAALO CCN1C[C@@H](C[N@@H+](C)CN2C(=O)NC3(CCCCC3)C2=O)Oc2ccccc21 ZINC000012543965 570844070 /nfs/dbraw/zinc/84/40/70/570844070.db2.gz IUJXZHOTRBJYOY-MRXNPFEDSA-N 1 2 386.496 2.418 50 0 GEAALO CSc1cccc(C[N@@H+]2CCN3C(=O)[C@@H](Cc4ccccc4)NC(=O)[C@H]3C2)c1 ZINC000014530454 570847242 /nfs/dbraw/zinc/84/72/42/570847242.db2.gz QCSMFKAGGSDDIZ-WOJBJXKFSA-N 1 2 395.528 2.162 50 0 GEAALO CSc1cccc(C[N@H+]2CCN3C(=O)[C@@H](Cc4ccccc4)NC(=O)[C@H]3C2)c1 ZINC000014530454 570847246 /nfs/dbraw/zinc/84/72/46/570847246.db2.gz QCSMFKAGGSDDIZ-WOJBJXKFSA-N 1 2 395.528 2.162 50 0 GEAALO CN(CC(=O)Nc1cccc(Cl)c1)C(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000170600645 570858707 /nfs/dbraw/zinc/85/87/07/570858707.db2.gz YXDJTDTYARMJGJ-QGZVFWFLSA-N 1 2 379.888 2.238 50 0 GEAALO CN(CC(=O)Nc1cccc(Cl)c1)C(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000170600645 570858708 /nfs/dbraw/zinc/85/87/08/570858708.db2.gz YXDJTDTYARMJGJ-QGZVFWFLSA-N 1 2 379.888 2.238 50 0 GEAALO COC(=O)N1CC[NH+](CCNC(=O)C2c3ccccc3Oc3ccccc32)CC1 ZINC000044227079 570872479 /nfs/dbraw/zinc/87/24/79/570872479.db2.gz OXKSROXQBBMYAF-UHFFFAOYSA-N 1 2 395.459 2.424 50 0 GEAALO Cc1ccc(S(=O)(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)s1 ZINC000024472059 570874425 /nfs/dbraw/zinc/87/44/25/570874425.db2.gz GUHVLYVKXCTVGV-UHFFFAOYSA-N 1 2 393.534 2.438 50 0 GEAALO COCc1ccc(C[N@@H+]2CCCC[C@H]2C(=O)Nc2ccc(-n3cnnn3)cc2)o1 ZINC000015073170 570878009 /nfs/dbraw/zinc/87/80/09/570878009.db2.gz OMJMHDDJRHGENN-IBGZPJMESA-N 1 2 396.451 2.395 50 0 GEAALO COCc1ccc(C[N@H+]2CCCC[C@H]2C(=O)Nc2ccc(-n3cnnn3)cc2)o1 ZINC000015073170 570878010 /nfs/dbraw/zinc/87/80/10/570878010.db2.gz OMJMHDDJRHGENN-IBGZPJMESA-N 1 2 396.451 2.395 50 0 GEAALO COc1ccc([C@@H](NC(=O)C2CCN(C(=O)C3CC3)CC2)c2[nH+]ccn2C)cc1 ZINC000016475004 570926027 /nfs/dbraw/zinc/92/60/27/570926027.db2.gz OZKYSZUEKGBGCK-LJQANCHMSA-N 1 2 396.491 2.283 50 0 GEAALO C[C@@H]1CN(c2ccc(CNC(=O)Cc3cn4ccsc4n3)c[nH+]2)C[C@@H](C)O1 ZINC000032930456 570943718 /nfs/dbraw/zinc/94/37/18/570943718.db2.gz POBUNXBNYYBRHF-ZIAGYGMSSA-N 1 2 385.493 2.263 50 0 GEAALO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1CC(=O)NC(=O)Nc1ccc(OC)cc1 ZINC000109043309 570995829 /nfs/dbraw/zinc/99/58/29/570995829.db2.gz RZSKKDQEEDTKAH-COXVUDFISA-N 1 2 389.452 2.149 50 0 GEAALO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1CC(=O)NC(=O)Nc1ccc(OC)cc1 ZINC000109043309 570995833 /nfs/dbraw/zinc/99/58/33/570995833.db2.gz RZSKKDQEEDTKAH-COXVUDFISA-N 1 2 389.452 2.149 50 0 GEAALO O=C(c1cccc(O)c1)N1CCC[C@]2(CCC(=O)N(CCc3c[nH+]c[nH]3)C2)C1 ZINC000091321689 571003629 /nfs/dbraw/zinc/00/36/29/571003629.db2.gz GCHXZWBNDNLUPQ-OAQYLSRUSA-N 1 2 382.464 2.203 50 0 GEAALO O=C(c1cccc(O)c1)N1CCC[C@]2(CCC(=O)N(CCc3c[nH]c[nH+]3)C2)C1 ZINC000091321689 571003631 /nfs/dbraw/zinc/00/36/31/571003631.db2.gz GCHXZWBNDNLUPQ-OAQYLSRUSA-N 1 2 382.464 2.203 50 0 GEAALO O=C(c1ccccn1)N1CCC2(CC1)c1[nH+]c[nH]c1CCN2C(=O)C1CCC1 ZINC000091350606 571004191 /nfs/dbraw/zinc/00/41/91/571004191.db2.gz LUNAQYSCSPNXJJ-UHFFFAOYSA-N 1 2 379.464 2.121 50 0 GEAALO O=C(CCCn1cc[nH+]c1)N1CCC2(CCC(=O)N(Cc3ccncc3)C2)CC1 ZINC000091416848 571006693 /nfs/dbraw/zinc/00/66/93/571006693.db2.gz DYVMENZFSBTLNJ-UHFFFAOYSA-N 1 2 395.507 2.490 50 0 GEAALO CCc1cc(C(=O)N2CCC[C@@]3(CCC(=O)N(CCc4c[nH+]c[nH]4)C3)C2)no1 ZINC000091441568 571008215 /nfs/dbraw/zinc/00/82/15/571008215.db2.gz KDCZKFUUVWXQMT-FQEVSTJZSA-N 1 2 385.468 2.048 50 0 GEAALO CCc1cc(C(=O)N2CCC[C@@]3(CCC(=O)N(CCc4c[nH]c[nH+]4)C3)C2)no1 ZINC000091441568 571008217 /nfs/dbraw/zinc/00/82/17/571008217.db2.gz KDCZKFUUVWXQMT-FQEVSTJZSA-N 1 2 385.468 2.048 50 0 GEAALO Cn1cc(CCC(=O)N2CCC[C@@H](c3[nH+]ccn3Cc3cccnc3)C2)cn1 ZINC000091441241 571008255 /nfs/dbraw/zinc/00/82/55/571008255.db2.gz CDZOBHUZFFHZIU-LJQANCHMSA-N 1 2 378.480 2.399 50 0 GEAALO Cc1cccc(C(=O)N2CCC3(CCC(=O)N(CCc4c[nH+]c[nH]4)C3)CC2)n1 ZINC000091444895 571008632 /nfs/dbraw/zinc/00/86/32/571008632.db2.gz NOLORIGQCOSCRJ-UHFFFAOYSA-N 1 2 381.480 2.201 50 0 GEAALO Cc1cccc(C(=O)N2CCC3(CCC(=O)N(CCc4c[nH]c[nH+]4)C3)CC2)n1 ZINC000091444895 571008638 /nfs/dbraw/zinc/00/86/38/571008638.db2.gz NOLORIGQCOSCRJ-UHFFFAOYSA-N 1 2 381.480 2.201 50 0 GEAALO O=C(Cn1cc[nH+]c1-c1ccccc1)N1CCNC(=O)[C@@H]1c1cccc(F)c1 ZINC000091468547 571009704 /nfs/dbraw/zinc/00/97/04/571009704.db2.gz LCICRZUOPLAVKA-IBGZPJMESA-N 1 2 378.407 2.389 50 0 GEAALO CCc1cc(C(=O)N2CCC3(CCC(=O)N(CCc4c[nH+]c[nH]4)C3)CC2)ccn1 ZINC000091626288 571020182 /nfs/dbraw/zinc/02/01/82/571020182.db2.gz IGHWCUBSRTVUSY-UHFFFAOYSA-N 1 2 395.507 2.455 50 0 GEAALO CCc1cc(C(=O)N2CCC3(CCC(=O)N(CCc4c[nH]c[nH+]4)C3)CC2)ccn1 ZINC000091626288 571020184 /nfs/dbraw/zinc/02/01/84/571020184.db2.gz IGHWCUBSRTVUSY-UHFFFAOYSA-N 1 2 395.507 2.455 50 0 GEAALO Cc1nc2sc3c(c2c(N2CC[NH+](CC(=O)N(C)C)CC2)n1)CC[C@H](C)C3 ZINC000012768721 571020726 /nfs/dbraw/zinc/02/07/26/571020726.db2.gz AZLCDBZAXDYSPE-ZDUSSCGKSA-N 1 2 387.553 2.335 50 0 GEAALO CCOC(=O)N1CC[NH+]([C@H]2CCCN(Cc3c(C)nc4sccn34)C2)CC1 ZINC000019639028 571022069 /nfs/dbraw/zinc/02/20/69/571022069.db2.gz AXTRYXSXSQUXII-INIZCTEOSA-N 1 2 391.541 2.443 50 0 GEAALO CCn1cc[nH+]c1CN(C)C(=O)[C@H]1CCC(=O)N(Cc2cccc(OC)c2)C1 ZINC000091871735 571034204 /nfs/dbraw/zinc/03/42/04/571034204.db2.gz QMFQXSPZWVXCSB-KRWDZBQOSA-N 1 2 384.480 2.309 50 0 GEAALO Cc1nc2ccccc2nc1C[N@@H+]1CC[C@H]([NH+]2CCOCC2)[C@H](CCC(=O)[O-])C1 ZINC000091943923 571037013 /nfs/dbraw/zinc/03/70/13/571037013.db2.gz GSBFOYWSVRDBJD-UTKZUKDTSA-N 1 2 398.507 2.326 50 0 GEAALO Cc1nc2ccccc2nc1C[N@H+]1CC[C@H]([NH+]2CCOCC2)[C@H](CCC(=O)[O-])C1 ZINC000091943923 571037015 /nfs/dbraw/zinc/03/70/15/571037015.db2.gz GSBFOYWSVRDBJD-UTKZUKDTSA-N 1 2 398.507 2.326 50 0 GEAALO Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)c2cnn3c2nc(C)cc3C)cc1 ZINC000032424075 571039775 /nfs/dbraw/zinc/03/97/75/571039775.db2.gz HWYCYTKQZKOYMV-FQEVSTJZSA-N 1 2 393.491 2.458 50 0 GEAALO O=c1cc(CN2CC[NH+](Cc3ccccc3CO)CC2)[nH]c2c(F)cccc12 ZINC000092003524 571040458 /nfs/dbraw/zinc/04/04/58/571040458.db2.gz HFSNYKXCWALULG-UHFFFAOYSA-N 1 2 381.451 2.477 50 0 GEAALO CC[C@@H](C)NC(=O)N1CCC2(CCC(=O)N(CCCn3cc[nH+]c3)C2)CC1 ZINC000092077611 571043941 /nfs/dbraw/zinc/04/39/41/571043941.db2.gz JBORAYVIFSHPPD-QGZVFWFLSA-N 1 2 375.517 2.486 50 0 GEAALO Cc1ccc(OCC(=O)N2CCC[C@@H](c3nnc(Cn4cc[nH+]c4)n3C)C2)cc1 ZINC000095360289 571054509 /nfs/dbraw/zinc/05/45/09/571054509.db2.gz CKBJGWKBDJLMID-QGZVFWFLSA-N 1 2 394.479 2.153 50 0 GEAALO O=C(NCCc1nc(-c2cccnc2)n[nH]1)C1CC[NH+](Cc2ccco2)CC1 ZINC000095364390 571057574 /nfs/dbraw/zinc/05/75/74/571057574.db2.gz KPGULFOSDRIQDF-UHFFFAOYSA-N 1 2 380.452 2.031 50 0 GEAALO O=C(NCCc1n[nH]c(-c2cccnc2)n1)C1CC[NH+](Cc2ccco2)CC1 ZINC000095364390 571057576 /nfs/dbraw/zinc/05/75/76/571057576.db2.gz KPGULFOSDRIQDF-UHFFFAOYSA-N 1 2 380.452 2.031 50 0 GEAALO Cc1nnc(CCC(=O)N2CCC[C@H](c3[nH+]ccn3Cc3cccnc3)C2)[nH]1 ZINC000095366718 571059034 /nfs/dbraw/zinc/05/90/34/571059034.db2.gz GHOYDFCJTKEHNC-KRWDZBQOSA-N 1 2 379.468 2.092 50 0 GEAALO CCn1c[nH+]cc1CNS(=O)(=O)c1cccc(C(=O)NC2CCCC2)c1 ZINC000095374699 571063864 /nfs/dbraw/zinc/06/38/64/571063864.db2.gz GRBFHYRGTMTBSX-UHFFFAOYSA-N 1 2 376.482 2.054 50 0 GEAALO CC(C)n1cccc1C(=O)N1CCC[C@H](c2nnc(Cn3cc[nH+]c3)n2C)C1 ZINC000095381137 571067622 /nfs/dbraw/zinc/06/76/22/571067622.db2.gz FCAJIFDTOHKTME-INIZCTEOSA-N 1 2 381.484 2.462 50 0 GEAALO O=C([C@@H]1CCCCO1)N1CCC2(CCC(=O)N(CCCn3cc[nH+]c3)C2)CC1 ZINC000095382886 571068741 /nfs/dbraw/zinc/06/87/41/571068741.db2.gz YCMCCXRUFLSAFN-SFHVURJKSA-N 1 2 388.512 2.074 50 0 GEAALO COc1cc(C(=O)N2CCC[C@H](c3nnc(Cn4cc[nH+]c4)n3C)C2)ccc1C ZINC000095387422 571070805 /nfs/dbraw/zinc/07/08/05/571070805.db2.gz UGHAPCQKGXLFOF-KRWDZBQOSA-N 1 2 394.479 2.397 50 0 GEAALO O=C([O-])[C@@H](c1ccc2c(c1)OCCO2)[NH+]1CCC([NH+]2CCSCC2)CC1 ZINC000095388058 571071263 /nfs/dbraw/zinc/07/12/63/571071263.db2.gz PVKZYFBJPLUVLC-GOSISDBHSA-N 1 2 378.494 2.097 50 0 GEAALO CCC(=O)N1CCc2[nH]c[nH+]c2C12CCN(C(=O)c1ccc3c(c1)CCO3)CC2 ZINC000095497799 571074838 /nfs/dbraw/zinc/07/48/38/571074838.db2.gz BLKIPGYCRXCXRN-UHFFFAOYSA-N 1 2 394.475 2.271 50 0 GEAALO COCCn1cc[nH+]c1C1CCN(C(=O)c2cc3nc(C)cc(C)n3n2)CC1 ZINC000095499501 571075409 /nfs/dbraw/zinc/07/54/09/571075409.db2.gz GHBDVVXWKZUGTO-UHFFFAOYSA-N 1 2 382.468 2.209 50 0 GEAALO O=C(Cn1cc[nH+]c1)N1CCC[C@@H](C(=O)Nc2ccc(-c3cc[nH]n3)cc2)C1 ZINC000095499812 571075735 /nfs/dbraw/zinc/07/57/35/571075735.db2.gz HNWHOCFDWSHNFM-MRXNPFEDSA-N 1 2 378.436 2.151 50 0 GEAALO CCC(=O)N1CCc2[nH]c[nH+]c2C12CCN(C(=O)c1ccc(COC)o1)CC2 ZINC000095501056 571076395 /nfs/dbraw/zinc/07/63/95/571076395.db2.gz YDYLCSKVNBHCBU-UHFFFAOYSA-N 1 2 386.452 2.075 50 0 GEAALO O=C(CSCC1CC1)N1CCC2(CC1)c1[nH+]c[nH]c1CCN2C(=O)C1CC1 ZINC000095501647 571076676 /nfs/dbraw/zinc/07/66/76/571076676.db2.gz YWSMNYNPCZFEPO-UHFFFAOYSA-N 1 2 388.537 2.165 50 0 GEAALO CCS(=O)(=O)Nc1ccc(C(=O)N2CCC(c3[nH+]ccn3C)CC2)cc1 ZINC000095503585 571077548 /nfs/dbraw/zinc/07/75/48/571077548.db2.gz IBZXRSJWESLMMA-UHFFFAOYSA-N 1 2 376.482 2.202 50 0 GEAALO CCC(=O)N1CCc2[nH]c[nH+]c2C12CCN(C(=O)COc1ccccc1C)CC2 ZINC000095507184 571079318 /nfs/dbraw/zinc/07/93/18/571079318.db2.gz QIRTWOCSYLUNHZ-UHFFFAOYSA-N 1 2 396.491 2.410 50 0 GEAALO Cc1ccc(SCCNC(=O)Cn2nnnc2C[NH+]2CCCCCC2)cc1 ZINC000095509115 571080323 /nfs/dbraw/zinc/08/03/23/571080323.db2.gz MFDYCUCZPZFQCM-UHFFFAOYSA-N 1 2 388.541 2.266 50 0 GEAALO CCC(=O)N1CCc2[nH]c[nH+]c2C12CCN(C(=O)c1cccc(O)c1C)CC2 ZINC000095511597 571082651 /nfs/dbraw/zinc/08/26/51/571082651.db2.gz VGDXONRUUMEFLG-UHFFFAOYSA-N 1 2 382.464 2.350 50 0 GEAALO Cc1nnc(CCC(=O)N2CCC[C@@H](c3[nH+]ccn3Cc3ccncc3)C2)[nH]1 ZINC000095511510 571082653 /nfs/dbraw/zinc/08/26/53/571082653.db2.gz LOXAELZRKWSZBT-QGZVFWFLSA-N 1 2 379.468 2.092 50 0 GEAALO Cn1cc(CCC(=O)N2CCC(c3[nH+]ccn3Cc3ccccn3)CC2)cn1 ZINC000095512210 571082979 /nfs/dbraw/zinc/08/29/79/571082979.db2.gz XJXJIQMUIUXIRN-UHFFFAOYSA-N 1 2 378.480 2.399 50 0 GEAALO Cc1cc(=O)n(CC(=O)N2CCC[C@@H](c3[nH+]ccn3CC3CCC3)C2)nc1C ZINC000095516851 571084401 /nfs/dbraw/zinc/08/44/01/571084401.db2.gz VVGGLXYPRCOFMH-GOSISDBHSA-N 1 2 383.496 2.263 50 0 GEAALO COCC(=O)N1CCc2[nH]c[nH+]c2C12CCN(C(=O)c1ccc(C)cc1C)CC2 ZINC000095520552 571086530 /nfs/dbraw/zinc/08/65/30/571086530.db2.gz DPOJBFGXYXEJKG-UHFFFAOYSA-N 1 2 396.491 2.189 50 0 GEAALO Cc1nc(C[N@H+]2CCC[C@@H](CCC(=O)N(C)CCc3ccccn3)C2)n(C)n1 ZINC000095521239 571087145 /nfs/dbraw/zinc/08/71/45/571087145.db2.gz HZMRVKCKDRUILY-SFHVURJKSA-N 1 2 384.528 2.212 50 0 GEAALO Cc1nc(C[N@@H+]2CCC[C@@H](CCC(=O)N(C)CCc3ccccn3)C2)n(C)n1 ZINC000095521239 571087147 /nfs/dbraw/zinc/08/71/47/571087147.db2.gz HZMRVKCKDRUILY-SFHVURJKSA-N 1 2 384.528 2.212 50 0 GEAALO O=C(c1cnc2sccn2c1=O)N1CCC[C@H](c2[nH+]ccn2CC2CC2)C1 ZINC000095522107 571087779 /nfs/dbraw/zinc/08/77/79/571087779.db2.gz POXLKRUGSXDNOZ-AWEZNQCLSA-N 1 2 383.477 2.382 50 0 GEAALO Ic1ccccc1OCCOCC[NH+]1CCOCC1 ZINC000019639704 642398193 /nfs/dbraw/zinc/39/81/93/642398193.db2.gz LQIRVNIUGOZHBU-UHFFFAOYSA-N 1 2 377.222 2.019 50 0 GEAALO Cn1c2ccccc2[nH+]c1N1CCN(C(=O)NCc2ccc3c(c2)OCO3)CC1 ZINC000409414801 231204351 /nfs/dbraw/zinc/20/43/51/231204351.db2.gz XCUJOJQITDCEOA-UHFFFAOYSA-N 1 2 393.447 2.334 50 0 GEAALO CCn1cc(C(=O)N2CCC[C@H](c3nnc(C[NH+]4CCCCC4)n3C)C2)cn1 ZINC000426526107 231235295 /nfs/dbraw/zinc/23/52/95/231235295.db2.gz MIZSIAJZIVULAI-INIZCTEOSA-N 1 2 385.516 2.037 50 0 GEAALO CCC[N@H+](CC(=O)NC(=O)NCC)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000009388650 531551225 /nfs/dbraw/zinc/55/12/25/531551225.db2.gz FICUOZGHSQXQRS-UHFFFAOYSA-N 1 2 389.283 2.490 50 0 GEAALO CCC[N@@H+](CC(=O)NC(=O)NCC)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000009388650 531551235 /nfs/dbraw/zinc/55/12/35/531551235.db2.gz FICUOZGHSQXQRS-UHFFFAOYSA-N 1 2 389.283 2.490 50 0 GEAALO NC(=O)CCS(=O)(=O)CC[N@@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000012771757 531553799 /nfs/dbraw/zinc/55/37/99/531553799.db2.gz LFKCSHWRIVRTAW-MRXNPFEDSA-N 1 2 384.548 2.047 50 0 GEAALO NC(=O)CCS(=O)(=O)CC[N@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000012771757 531553805 /nfs/dbraw/zinc/55/38/05/531553805.db2.gz LFKCSHWRIVRTAW-MRXNPFEDSA-N 1 2 384.548 2.047 50 0 GEAALO O=C(CCCNC(=O)C1CC1)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000058201773 531828424 /nfs/dbraw/zinc/82/84/24/531828424.db2.gz HLLZHOCHAFDOMM-UHFFFAOYSA-N 1 2 379.258 2.019 50 0 GEAALO O=S(=O)(c1ccc(Cl)cc1)N1CCCSC[C@@H]1C[NH+]1CCOCC1 ZINC000090609223 531924243 /nfs/dbraw/zinc/92/42/43/531924243.db2.gz YPABNPDIKXHBIA-HNNXBMFYSA-N 1 2 390.958 2.168 50 0 GEAALO COc1cc2c(cc1OC)C[N@@H+]([C@@H]1CC(=O)N(Cc3ccccc3)C1=O)CC2 ZINC000096834554 206302168 /nfs/dbraw/zinc/30/21/68/206302168.db2.gz PRBRYQMICQQBFS-GOSISDBHSA-N 1 2 380.444 2.390 50 0 GEAALO COc1cc2c(cc1OC)C[N@H+]([C@@H]1CC(=O)N(Cc3ccccc3)C1=O)CC2 ZINC000096834554 206302171 /nfs/dbraw/zinc/30/21/71/206302171.db2.gz PRBRYQMICQQBFS-GOSISDBHSA-N 1 2 380.444 2.390 50 0 GEAALO CCN1C(=O)NC2(CC[NH+](CC(=O)Nc3ccc(C(F)(F)F)cc3)CC2)C1=O ZINC000009660768 206334691 /nfs/dbraw/zinc/33/46/91/206334691.db2.gz DUHXLGMLVFTRHK-UHFFFAOYSA-N 1 2 398.385 2.050 50 0 GEAALO C[C@@H](NC(=O)CCN1C(=O)NC2(CCCC2)C1=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000008706438 206760279 /nfs/dbraw/zinc/76/02/79/206760279.db2.gz IQWVRVXTCAZHGO-OAHLLOKOSA-N 1 2 395.463 2.304 50 0 GEAALO O=C(CS[C@@H]1CCc2ccccc2NC1=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000012407227 206893658 /nfs/dbraw/zinc/89/36/58/206893658.db2.gz AUNJNCZVMZVMNZ-GOSISDBHSA-N 1 2 396.516 2.417 50 0 GEAALO CC(C)(CNc1cnn(Cc2ccccc2)c(=O)c1Cl)[NH+]1CCOCC1 ZINC000014135639 207012790 /nfs/dbraw/zinc/01/27/90/207012790.db2.gz OBUWUDMGENHGDR-UHFFFAOYSA-N 1 2 376.888 2.468 50 0 GEAALO O=C(c1ccc(-n2cncn2)cc1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000014245739 207017860 /nfs/dbraw/zinc/01/78/60/207017860.db2.gz SUHFBIRDZGCSOG-UHFFFAOYSA-N 1 2 377.448 2.104 50 0 GEAALO Cn1cc[nH+]c1[C@@H](NC(=O)c1n[nH]c(=O)c2ccccc12)c1ccc(F)cc1 ZINC000014401223 207021024 /nfs/dbraw/zinc/02/10/24/207021024.db2.gz BKMHHQKBTPPPPB-INIZCTEOSA-N 1 2 377.379 2.315 50 0 GEAALO O=C1N[C@@H](Cc2ccccc2)C(=O)N2CC[N@@H+](Cc3cccc(Cl)c3)C[C@H]12 ZINC000014733359 207027405 /nfs/dbraw/zinc/02/74/05/207027405.db2.gz KVMVDNNYHVCATC-RBUKOAKNSA-N 1 2 383.879 2.094 50 0 GEAALO O=C1N[C@@H](Cc2ccccc2)C(=O)N2CC[N@H+](Cc3cccc(Cl)c3)C[C@H]12 ZINC000014733359 207027409 /nfs/dbraw/zinc/02/74/09/207027409.db2.gz KVMVDNNYHVCATC-RBUKOAKNSA-N 1 2 383.879 2.094 50 0 GEAALO O=C1N[C@H](Cc2ccccc2)C(=O)N2CC[N@@H+](Cc3cccc(Cl)c3)C[C@H]12 ZINC000014743805 207028336 /nfs/dbraw/zinc/02/83/36/207028336.db2.gz KVMVDNNYHVCATC-RTBURBONSA-N 1 2 383.879 2.094 50 0 GEAALO O=C1N[C@H](Cc2ccccc2)C(=O)N2CC[N@H+](Cc3cccc(Cl)c3)C[C@H]12 ZINC000014743805 207028340 /nfs/dbraw/zinc/02/83/40/207028340.db2.gz KVMVDNNYHVCATC-RTBURBONSA-N 1 2 383.879 2.094 50 0 GEAALO O=C1N[C@H](Cc2ccccc2)C(=O)N2CC[N@@H+](Cc3ccc(Cl)cc3)C[C@H]12 ZINC000014755669 207029160 /nfs/dbraw/zinc/02/91/60/207029160.db2.gz BQUMFQMKSMJWJP-RTBURBONSA-N 1 2 383.879 2.094 50 0 GEAALO O=C1N[C@H](Cc2ccccc2)C(=O)N2CC[N@H+](Cc3ccc(Cl)cc3)C[C@H]12 ZINC000014755669 207029164 /nfs/dbraw/zinc/02/91/64/207029164.db2.gz BQUMFQMKSMJWJP-RTBURBONSA-N 1 2 383.879 2.094 50 0 GEAALO CCOc1ccc(C[N@@H+]2CCNC(=O)[C@H]2CC(=O)NCc2cccc(C)c2)cc1 ZINC000014980295 207036829 /nfs/dbraw/zinc/03/68/29/207036829.db2.gz YBOSBTATUUAAIU-OAQYLSRUSA-N 1 2 395.503 2.401 50 0 GEAALO CCOc1ccc(C[N@H+]2CCNC(=O)[C@H]2CC(=O)NCc2cccc(C)c2)cc1 ZINC000014980295 207036831 /nfs/dbraw/zinc/03/68/31/207036831.db2.gz YBOSBTATUUAAIU-OAQYLSRUSA-N 1 2 395.503 2.401 50 0 GEAALO COc1ccccc1C(=O)NCC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000015940387 207069121 /nfs/dbraw/zinc/06/91/21/207069121.db2.gz CPPINFAXTJOCRY-HNNXBMFYSA-N 1 2 378.432 2.488 50 0 GEAALO Cc1ccc(C(=O)NCC(=O)N[C@H](C[NH+]2CCOCC2)c2ccc(C)cc2)cc1 ZINC000016786846 207078288 /nfs/dbraw/zinc/07/82/88/207078288.db2.gz CKDAYOPRVMTFFB-OAQYLSRUSA-N 1 2 395.503 2.223 50 0 GEAALO CCOC(=O)c1sc(NC(=O)C[N@H+](C)Cc2c(C)nn(C)c2C)nc1C ZINC000017077610 207082334 /nfs/dbraw/zinc/08/23/34/207082334.db2.gz MFPFOMMOBGLCRM-UHFFFAOYSA-N 1 2 379.486 2.049 50 0 GEAALO CCOC(=O)c1sc(NC(=O)C[N@@H+](C)Cc2c(C)nn(C)c2C)nc1C ZINC000017077610 207082338 /nfs/dbraw/zinc/08/23/38/207082338.db2.gz MFPFOMMOBGLCRM-UHFFFAOYSA-N 1 2 379.486 2.049 50 0 GEAALO COc1ccc(N2C(=O)C[C@H]([NH+]3CCN(c4ccccc4OC)CC3)C2=O)cc1 ZINC000018284678 207098238 /nfs/dbraw/zinc/09/82/38/207098238.db2.gz AWUXVWBWGKFJSV-IBGZPJMESA-N 1 2 395.459 2.158 50 0 GEAALO CC(=O)Nc1ccc(S(=O)(=O)N2CC[NH+](Cc3ccc(C)cc3)CC2)cc1 ZINC000019210294 207105953 /nfs/dbraw/zinc/10/59/53/207105953.db2.gz GPYBEIQBNCVQCX-UHFFFAOYSA-N 1 2 387.505 2.460 50 0 GEAALO CCCOc1cc(C)c(Cl)cc1S(=O)(=O)NCCC[NH+]1CCOCC1 ZINC000019619474 207143556 /nfs/dbraw/zinc/14/35/56/207143556.db2.gz KBXCVCPORUPBPK-UHFFFAOYSA-N 1 2 390.933 2.438 50 0 GEAALO CCS(=O)(=O)c1ncc(CN2CC[NH+](C)CC2)n1CCCc1ccccc1 ZINC000019841263 207165627 /nfs/dbraw/zinc/16/56/27/207165627.db2.gz IETKSCSQJNFLAV-UHFFFAOYSA-N 1 2 390.553 2.057 50 0 GEAALO Cn1cc(Cl)c(C(=O)Nc2nc3ccccc3n2CC[NH+]2CCOCC2)n1 ZINC000020046159 207175956 /nfs/dbraw/zinc/17/59/56/207175956.db2.gz IZCLFECBCYHNIC-UHFFFAOYSA-N 1 2 388.859 2.008 50 0 GEAALO O=C(NCC[NH+]1CCOCC1)/C(=C\c1ccc(F)cc1)NC(=O)c1ccccc1 ZINC000020103076 207177533 /nfs/dbraw/zinc/17/75/33/207177533.db2.gz DLCROQIDGOANGO-CAPFRKAQSA-N 1 2 397.450 2.045 50 0 GEAALO CC(=O)c1ccc(NC(=O)CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000020310804 207186996 /nfs/dbraw/zinc/18/69/96/207186996.db2.gz HQYLGKDCMSBADN-UHFFFAOYSA-N 1 2 395.459 2.374 50 0 GEAALO O=C(NCCn1cc[nH+]c1)c1ccc(-c2ccccc2)nc1N1CCOCC1 ZINC000020453031 207195514 /nfs/dbraw/zinc/19/55/14/207195514.db2.gz DZCQADVFCUBHNE-UHFFFAOYSA-N 1 2 377.448 2.212 50 0 GEAALO Cn1c(C[NH+]2CCN(c3ccc(NS(C)(=O)=O)cc3)CC2)nc2ccccc21 ZINC000020623253 207208294 /nfs/dbraw/zinc/20/82/94/207208294.db2.gz VSRUJSOSIOJSIM-UHFFFAOYSA-N 1 2 399.520 2.267 50 0 GEAALO CC1(C)Cc2nc3oc4c(ncnc4NCC[NH+]4CCOCC4)c3cc2CO1 ZINC000020533221 207200966 /nfs/dbraw/zinc/20/09/66/207200966.db2.gz RCPHELSIICRELR-UHFFFAOYSA-N 1 2 383.452 2.366 50 0 GEAALO CC(C)c1csc(CN2C[C@H](O)[C@@H]([NH+]3CCN(c4ccccn4)CC3)C2)n1 ZINC000020908742 207219876 /nfs/dbraw/zinc/21/98/76/207219876.db2.gz PFJQKCKMOATNHP-ROUUACIJSA-N 1 2 387.553 2.029 50 0 GEAALO CC(C)c1csc(C[N@@H+]2C[C@H](O)[C@@H](N3CCN(c4ccccn4)CC3)C2)n1 ZINC000020908742 207219881 /nfs/dbraw/zinc/21/98/81/207219881.db2.gz PFJQKCKMOATNHP-ROUUACIJSA-N 1 2 387.553 2.029 50 0 GEAALO CC(C)c1csc(C[N@H+]2C[C@H](O)[C@@H](N3CCN(c4ccccn4)CC3)C2)n1 ZINC000020908742 207219886 /nfs/dbraw/zinc/21/98/86/207219886.db2.gz PFJQKCKMOATNHP-ROUUACIJSA-N 1 2 387.553 2.029 50 0 GEAALO CC(C)[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)N1Cc2ccccc2C1=O ZINC000020721676 207210554 /nfs/dbraw/zinc/21/05/54/207210554.db2.gz HDWNAJRAQQXMSD-FQEVSTJZSA-N 1 2 378.476 2.411 50 0 GEAALO C[C@@H]1CCc2onc(C(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c2C1 ZINC000020940816 207221707 /nfs/dbraw/zinc/22/17/07/207221707.db2.gz NJEKDSUJWHVAHY-CQSZACIVSA-N 1 2 383.448 2.486 50 0 GEAALO Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000022130534 207248161 /nfs/dbraw/zinc/24/81/61/207248161.db2.gz KAUPAMGMGKZGDR-CYVLTUHYSA-N 1 2 399.516 2.276 50 0 GEAALO Cc1ccc(NC(=O)C[N@H+](Cc2ccco2)C2CC2)cc1S(=O)(=O)N(C)C ZINC000023146345 207269599 /nfs/dbraw/zinc/26/95/99/207269599.db2.gz LBYJXBUPJDBDBR-UHFFFAOYSA-N 1 2 391.493 2.441 50 0 GEAALO Cc1ccc(NC(=O)C[N@@H+](Cc2ccco2)C2CC2)cc1S(=O)(=O)N(C)C ZINC000023146345 207269603 /nfs/dbraw/zinc/26/96/03/207269603.db2.gz LBYJXBUPJDBDBR-UHFFFAOYSA-N 1 2 391.493 2.441 50 0 GEAALO Cc1ccc(C(=O)N2CCC(Cn3cc(C[N@@H+]4CC[C@@H](O)C4)nn3)CC2)c(C)c1 ZINC000023251383 207272349 /nfs/dbraw/zinc/27/23/49/207272349.db2.gz IIVXXEZWARWCRW-HXUWFJFHSA-N 1 2 397.523 2.014 50 0 GEAALO Cc1ccc(C(=O)N2CCC(Cn3cc(C[N@H+]4CC[C@@H](O)C4)nn3)CC2)c(C)c1 ZINC000023251383 207272354 /nfs/dbraw/zinc/27/23/54/207272354.db2.gz IIVXXEZWARWCRW-HXUWFJFHSA-N 1 2 397.523 2.014 50 0 GEAALO OCC[NH+]1CCN(C[C@@H](O)Cn2c3c(c4cccc(Cl)c42)CCCC3)CC1 ZINC000022918330 207265937 /nfs/dbraw/zinc/26/59/37/207265937.db2.gz RQIWTGQGNVXPKC-MRXNPFEDSA-N 1 2 391.943 2.144 50 0 GEAALO C[C@H](NC(=O)COc1ccccc1)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000023774288 207282913 /nfs/dbraw/zinc/28/29/13/207282913.db2.gz YWOMOPIGDCEIDE-OXJNMPFZSA-N 1 2 392.459 2.209 50 0 GEAALO O=C(NCc1ccccc1C[NH+]1CCOCC1)c1ccc(-n2cncn2)cc1 ZINC000023845749 207283246 /nfs/dbraw/zinc/28/32/46/207283246.db2.gz IRVVMNOETAHBPY-UHFFFAOYSA-N 1 2 377.448 2.030 50 0 GEAALO O=C(Cc1cn2ccsc2n1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000023846335 207283319 /nfs/dbraw/zinc/28/33/19/207283319.db2.gz QUWHOBCUVIUAGC-UHFFFAOYSA-N 1 2 384.461 2.011 50 0 GEAALO Cn1cnnc1C[N@H+](C)Cc1ccccc1-c1nc([C@H]2CCCO2)cc(=O)[nH]1 ZINC000023580978 207279344 /nfs/dbraw/zinc/27/93/44/207279344.db2.gz NPHASAWXFCORNO-QGZVFWFLSA-N 1 2 380.452 2.049 50 0 GEAALO Cn1cnnc1C[N@@H+](C)Cc1ccccc1-c1nc([C@H]2CCCO2)cc(=O)[nH]1 ZINC000023580978 207279348 /nfs/dbraw/zinc/27/93/48/207279348.db2.gz NPHASAWXFCORNO-QGZVFWFLSA-N 1 2 380.452 2.049 50 0 GEAALO COc1ccc(OCC[NH+]2CCN(C(=O)c3n[nH]c4ccccc43)CC2)cc1 ZINC000023641555 207280174 /nfs/dbraw/zinc/28/01/74/207280174.db2.gz PIONCKJFWXPVIB-UHFFFAOYSA-N 1 2 380.448 2.408 50 0 GEAALO NC(=O)[C@@H]1CCC[N@H+](CC(=O)N(CC(F)(F)F)c2ccc(Cl)cc2)C1 ZINC000024948973 207297603 /nfs/dbraw/zinc/29/76/03/207297603.db2.gz NBWKQDDLDAIYTC-LLVKDONJSA-N 1 2 377.794 2.433 50 0 GEAALO NC(=O)[C@@H]1CCC[N@@H+](CC(=O)N(CC(F)(F)F)c2ccc(Cl)cc2)C1 ZINC000024948973 207297605 /nfs/dbraw/zinc/29/76/05/207297605.db2.gz NBWKQDDLDAIYTC-LLVKDONJSA-N 1 2 377.794 2.433 50 0 GEAALO COc1ccc(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)c(OC)c1 ZINC000024178575 207288767 /nfs/dbraw/zinc/28/87/67/207288767.db2.gz DSMRVQRQFQHOLE-UHFFFAOYSA-N 1 2 398.459 2.433 50 0 GEAALO O=C(c1n[nH]c2ccccc21)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000024180242 207289030 /nfs/dbraw/zinc/28/90/30/207289030.db2.gz HNSKFGNHAYOCDL-UHFFFAOYSA-N 1 2 378.432 2.292 50 0 GEAALO O=C(Cc1noc2ccccc21)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000024768945 207294888 /nfs/dbraw/zinc/29/48/88/207294888.db2.gz NTOVZMLOKNJRDC-UHFFFAOYSA-N 1 2 379.416 2.443 50 0 GEAALO O=C(c1cnc2ccccn2c1=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000025167760 207301919 /nfs/dbraw/zinc/30/19/19/207301919.db2.gz QBYKMBDFWQMHIH-UHFFFAOYSA-N 1 2 382.851 2.306 50 0 GEAALO CCC(=O)c1ccc(OC[C@H](O)C[NH+]2CCN(c3nccs3)CC2)cc1 ZINC000025306776 207303008 /nfs/dbraw/zinc/30/30/08/207303008.db2.gz BRSSLSJHCGUHJG-MRXNPFEDSA-N 1 2 375.494 2.298 50 0 GEAALO COc1ccccc1N1CC[NH+](CCNC(=O)c2ccc3nsnc3c2)CC1 ZINC000038589494 207311831 /nfs/dbraw/zinc/31/18/31/207311831.db2.gz LMJXLHJBUFPHGX-UHFFFAOYSA-N 1 2 397.504 2.252 50 0 GEAALO Cc1nc2ncnn2c(C)c1CCC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000029068725 207355333 /nfs/dbraw/zinc/35/53/33/207355333.db2.gz XJEWJJPNTTWIMB-LJQANCHMSA-N 1 2 389.463 2.313 50 0 GEAALO Cn1cc[nH+]c1[C@H](NC(=O)c1n[nH]c(=O)c2ccccc12)c1cccc(F)c1 ZINC000029081116 207355556 /nfs/dbraw/zinc/35/55/56/207355556.db2.gz VAJBHQFVMGREBN-MRXNPFEDSA-N 1 2 377.379 2.315 50 0 GEAALO Cc1cccc([C@@H](CNC(=O)c2cnn(C)c2-n2cccc2)[NH+]2CCOCC2)c1 ZINC000029420959 207363255 /nfs/dbraw/zinc/36/32/55/207363255.db2.gz FRSFTMFXZDFNOS-HXUWFJFHSA-N 1 2 393.491 2.323 50 0 GEAALO CN(C1CCCCC1)S(=O)(=O)c1ccc(SCC[NH+]2CCOCC2)nc1 ZINC000031752276 207383523 /nfs/dbraw/zinc/38/35/23/207383523.db2.gz HUJCZYRJGLXZAO-UHFFFAOYSA-N 1 2 399.582 2.459 50 0 GEAALO CN1C(=O)N(CC(=O)Nc2cccc(Cn3cc[nH+]c3)c2)C(=O)C12CCCCC2 ZINC000031803729 207385841 /nfs/dbraw/zinc/38/58/41/207385841.db2.gz HJHDKVZBTKJKMJ-UHFFFAOYSA-N 1 2 395.463 2.467 50 0 GEAALO CC[C@H](C)C(=O)N1CC[NH+]([C@H](C(=O)NCc2ccccn2)C2CCCC2)CC1 ZINC000036253550 207519020 /nfs/dbraw/zinc/51/90/20/207519020.db2.gz YYOKXBQMOLPDON-PXNSSMCTSA-N 1 2 386.540 2.447 50 0 GEAALO CNS(=O)(=O)c1ccc(C[N@@H+]2CCO[C@H](Cc3cccc(F)c3)C2)cc1 ZINC000071479565 207940494 /nfs/dbraw/zinc/94/04/94/207940494.db2.gz KIZGQGCDEZFFDX-GOSISDBHSA-N 1 2 378.469 2.177 50 0 GEAALO CNS(=O)(=O)c1ccc(C[N@H+]2CCO[C@H](Cc3cccc(F)c3)C2)cc1 ZINC000071479565 207940500 /nfs/dbraw/zinc/94/05/00/207940500.db2.gz KIZGQGCDEZFFDX-GOSISDBHSA-N 1 2 378.469 2.177 50 0 GEAALO CC[NH+](CC)CCN(CC(C)C)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000071894797 207963506 /nfs/dbraw/zinc/96/35/06/207963506.db2.gz ANDZGEAPSPHBIX-UHFFFAOYSA-N 1 2 390.571 2.079 50 0 GEAALO CCCc1nc2c(cnn2C)c(NC[C@H](c2ccccn2)[NH+]2CCOCC2)n1 ZINC000072427322 208021357 /nfs/dbraw/zinc/02/13/57/208021357.db2.gz UZOIRPAQICPSDN-QGZVFWFLSA-N 1 2 381.484 2.196 50 0 GEAALO Cc1cc2c(cc1-c1[nH+]ccn1C[C@@H]1CCCN(S(C)(=O)=O)C1)OCO2 ZINC000077320899 208039822 /nfs/dbraw/zinc/03/98/22/208039822.db2.gz IKMBZFQBBHNOOC-AWEZNQCLSA-N 1 2 377.466 2.259 50 0 GEAALO CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)C[N@@H+]1C[C@H]2CCC[C@@H]21 ZINC000079051898 208070121 /nfs/dbraw/zinc/07/01/21/208070121.db2.gz FRUKEBIQSDHFAT-NEPJUHHUSA-N 1 2 379.482 2.016 50 0 GEAALO CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)C[N@H+]1C[C@H]2CCC[C@@H]21 ZINC000079051898 208070127 /nfs/dbraw/zinc/07/01/27/208070127.db2.gz FRUKEBIQSDHFAT-NEPJUHHUSA-N 1 2 379.482 2.016 50 0 GEAALO COc1ccc(C[N@@H+]2CCCn3nc(CNC(=O)C4CCC4)cc3C2)cc1O ZINC000082109461 208080140 /nfs/dbraw/zinc/08/01/40/208080140.db2.gz MOGMVFBDWSGAAM-UHFFFAOYSA-N 1 2 384.480 2.420 50 0 GEAALO COc1ccc(C[N@H+]2CCCn3nc(CNC(=O)C4CCC4)cc3C2)cc1O ZINC000082109461 208080147 /nfs/dbraw/zinc/08/01/47/208080147.db2.gz MOGMVFBDWSGAAM-UHFFFAOYSA-N 1 2 384.480 2.420 50 0 GEAALO NC(=O)c1ccsc1NC(=O)CN1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000084367730 208090060 /nfs/dbraw/zinc/09/00/60/208090060.db2.gz AZWYCZPXYBDXCL-UHFFFAOYSA-N 1 2 392.912 2.257 50 0 GEAALO COc1ccccc1-n1cc(C(=O)N2CC[NH+](Cc3ccccn3)CC2)cn1 ZINC000091845970 208139442 /nfs/dbraw/zinc/13/94/42/208139442.db2.gz NNXYFUYSTYSMSU-UHFFFAOYSA-N 1 2 377.448 2.234 50 0 GEAALO Cc1ccc(C(=O)N2CCC[C@]3(CCC(=O)N(CCc4c[nH+]c[nH]4)C3)C2)cn1 ZINC000091643383 208129605 /nfs/dbraw/zinc/12/96/05/208129605.db2.gz CZVVUWDZQHTFDH-OAQYLSRUSA-N 1 2 381.480 2.201 50 0 GEAALO Cc1ccc(C(=O)N2CCC[C@]3(CCC(=O)N(CCc4c[nH]c[nH+]4)C3)C2)cn1 ZINC000091643383 208129611 /nfs/dbraw/zinc/12/96/11/208129611.db2.gz CZVVUWDZQHTFDH-OAQYLSRUSA-N 1 2 381.480 2.201 50 0 GEAALO CC(=O)N1CCc2[nH]c[nH+]c2C12CCN(C(=O)c1ccc3c(c1)CCC3)CC2 ZINC000091644767 208129736 /nfs/dbraw/zinc/12/97/36/208129736.db2.gz OTIOETCWXDKKBM-UHFFFAOYSA-N 1 2 378.476 2.435 50 0 GEAALO CCc1nnc(C[N@@H+]2CCC[C@@]3(CCC(=O)N(Cc4cnc(C)cn4)C3)C2)o1 ZINC000091664958 208132871 /nfs/dbraw/zinc/13/28/71/208132871.db2.gz KOCNAWMYNMUNRB-HXUWFJFHSA-N 1 2 384.484 2.135 50 0 GEAALO CCc1nnc(C[N@H+]2CCC[C@@]3(CCC(=O)N(Cc4cnc(C)cn4)C3)C2)o1 ZINC000091664958 208132874 /nfs/dbraw/zinc/13/28/74/208132874.db2.gz KOCNAWMYNMUNRB-HXUWFJFHSA-N 1 2 384.484 2.135 50 0 GEAALO CN(Cc1ccccc1)C(=O)N1CCN(C(=O)c2ccn3cc[nH+]c3c2)CC1 ZINC000089361325 208105672 /nfs/dbraw/zinc/10/56/72/208105672.db2.gz NNNMGBXCCRGDDT-UHFFFAOYSA-N 1 2 377.448 2.344 50 0 GEAALO Cc1[nH+]c2ccccc2n1CCSc1nnc([C@@H]2CCS(=O)(=O)C2)n1C ZINC000089729993 208107891 /nfs/dbraw/zinc/10/78/91/208107891.db2.gz BXPDEAOBFDCRMO-CYBMUJFWSA-N 1 2 391.522 2.168 50 0 GEAALO CN(C)C(=O)NCc1cc2n(n1)CC[N@H+](Cc1c[nH]nc1-c1ccccc1)C2 ZINC000091254923 208114771 /nfs/dbraw/zinc/11/47/71/208114771.db2.gz CLKWVRKSANROOA-UHFFFAOYSA-N 1 2 379.468 2.060 50 0 GEAALO CN(C)C(=O)NCc1cc2n(n1)CC[N@@H+](Cc1c[nH]nc1-c1ccccc1)C2 ZINC000091254923 208114778 /nfs/dbraw/zinc/11/47/78/208114778.db2.gz CLKWVRKSANROOA-UHFFFAOYSA-N 1 2 379.468 2.060 50 0 GEAALO NC(=O)c1cccc(C[C@H]2CCN(C(=O)C[N@@H+]3CCOc4ccccc4C3)C2)c1 ZINC000091321278 208114862 /nfs/dbraw/zinc/11/48/62/208114862.db2.gz FIEJMPWPZGEWBZ-GOSISDBHSA-N 1 2 393.487 2.071 50 0 GEAALO NC(=O)c1cccc(C[C@H]2CCN(C(=O)C[N@H+]3CCOc4ccccc4C3)C2)c1 ZINC000091321278 208114867 /nfs/dbraw/zinc/11/48/67/208114867.db2.gz FIEJMPWPZGEWBZ-GOSISDBHSA-N 1 2 393.487 2.071 50 0 GEAALO CCc1cc(C(=O)N2CCC[C@]3(CCC(=O)N(CCc4c[nH+]c[nH]4)C3)C2)on1 ZINC000091269635 208115419 /nfs/dbraw/zinc/11/54/19/208115419.db2.gz DWUHUWAWONBYIE-HXUWFJFHSA-N 1 2 385.468 2.048 50 0 GEAALO CCc1cc(C(=O)N2CCC[C@]3(CCC(=O)N(CCc4c[nH]c[nH+]4)C3)C2)on1 ZINC000091269635 208115426 /nfs/dbraw/zinc/11/54/26/208115426.db2.gz DWUHUWAWONBYIE-HXUWFJFHSA-N 1 2 385.468 2.048 50 0 GEAALO CCCc1n[nH]cc1C(=O)N1CCC2(CC1)c1[nH+]c[nH]c1CCN2C(=O)CC ZINC000091445037 208119177 /nfs/dbraw/zinc/11/91/77/208119177.db2.gz ARLDRXJNRQNTEK-UHFFFAOYSA-N 1 2 384.484 2.012 50 0 GEAALO CC(=O)N1CCc2[nH]c[nH+]c2C12CCN(C(=O)c1ccc3[nH]ccc3c1)CC2 ZINC000091452065 208120480 /nfs/dbraw/zinc/12/04/80/208120480.db2.gz LJWWGKCJGNFJRJ-UHFFFAOYSA-N 1 2 377.448 2.427 50 0 GEAALO C[N@H+](CC(=O)N1CC[C@]2(C1)CCCN(C1CCCC1)C2=O)Cc1ccccn1 ZINC000095357707 208161253 /nfs/dbraw/zinc/16/12/53/208161253.db2.gz GPYLMBJYCUTLQR-QFIPXVFZSA-N 1 2 384.524 2.297 50 0 GEAALO C[N@@H+](CC(=O)N1CC[C@]2(C1)CCCN(C1CCCC1)C2=O)Cc1ccccn1 ZINC000095357707 208161259 /nfs/dbraw/zinc/16/12/59/208161259.db2.gz GPYLMBJYCUTLQR-QFIPXVFZSA-N 1 2 384.524 2.297 50 0 GEAALO CCNC(=O)[C@@H]1C[C@@H](NC(=O)C2CCC2)C[N@@H+]1Cc1ccc(SC)cc1 ZINC000092028459 208147528 /nfs/dbraw/zinc/14/75/28/208147528.db2.gz JIZAWRCSZKQOHD-AEFFLSMTSA-N 1 2 375.538 2.404 50 0 GEAALO CCNC(=O)[C@@H]1C[C@@H](NC(=O)C2CCC2)C[N@H+]1Cc1ccc(SC)cc1 ZINC000092028459 208147534 /nfs/dbraw/zinc/14/75/34/208147534.db2.gz JIZAWRCSZKQOHD-AEFFLSMTSA-N 1 2 375.538 2.404 50 0 GEAALO Cc1nc(C(=O)N2CCC3(CC2)c2[nH+]c[nH]c2CCN3C(=O)C2CC2)cs1 ZINC000095501123 208200267 /nfs/dbraw/zinc/20/02/67/208200267.db2.gz RFJIGQDDGJOQLM-UHFFFAOYSA-N 1 2 385.493 2.101 50 0 GEAALO Cc1cc(C)n(-c2ccc(NC(=O)[C@H]3CCCC[N@H+]3CC(=O)N(C)C)cc2)n1 ZINC000095500077 208201142 /nfs/dbraw/zinc/20/11/42/208201142.db2.gz GXGLVMQVJSMEAH-LJQANCHMSA-N 1 2 383.496 2.370 50 0 GEAALO Cc1cc(C)n(-c2ccc(NC(=O)[C@H]3CCCC[N@@H+]3CC(=O)N(C)C)cc2)n1 ZINC000095500077 208201145 /nfs/dbraw/zinc/20/11/45/208201145.db2.gz GXGLVMQVJSMEAH-LJQANCHMSA-N 1 2 383.496 2.370 50 0 GEAALO C[C@H](c1nnc(-c2cccs2)o1)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000095956278 208245045 /nfs/dbraw/zinc/24/50/45/208245045.db2.gz PDZWOLIOYDHVFF-CQSZACIVSA-N 1 2 375.498 2.099 50 0 GEAALO Cn1ccnc1C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2cccc3cccnc32)C1 ZINC000095515142 208212962 /nfs/dbraw/zinc/21/29/62/208212962.db2.gz SZCYPJPCYDBFJH-MRXNPFEDSA-N 1 2 399.520 2.159 50 0 GEAALO Cn1ccnc1C[N@H+]1CCC[C@H](CNS(=O)(=O)c2cccc3cccnc32)C1 ZINC000095515142 208212966 /nfs/dbraw/zinc/21/29/66/208212966.db2.gz SZCYPJPCYDBFJH-MRXNPFEDSA-N 1 2 399.520 2.159 50 0 GEAALO Cn1cc[nH+]c1CN1CCC[C@H](CNS(=O)(=O)c2cccc3cccnc32)C1 ZINC000095515142 208212970 /nfs/dbraw/zinc/21/29/70/208212970.db2.gz SZCYPJPCYDBFJH-MRXNPFEDSA-N 1 2 399.520 2.159 50 0 GEAALO Cn1cccc1C(=O)C(=O)N1CCC(c2[nH+]ccn2Cc2ccccn2)CC1 ZINC000095512894 208213230 /nfs/dbraw/zinc/21/32/30/208213230.db2.gz NQLKKCUJPCNFNB-UHFFFAOYSA-N 1 2 377.448 2.254 50 0 GEAALO O=C(c1cn2cccnc2n1)N1CCC[C@H](c2[nH+]ccn2Cc2ccncc2)C1 ZINC000095519073 208215626 /nfs/dbraw/zinc/21/56/26/208215626.db2.gz ZHJORGVPCYRKME-KRWDZBQOSA-N 1 2 387.447 2.389 50 0 GEAALO O=C(c1cncc(Cl)c1)N1CCC2(CC1)c1[nH+]c[nH]c1CCN2C(=O)C1CC1 ZINC000095519524 208215990 /nfs/dbraw/zinc/21/59/90/208215990.db2.gz RVDFNWMDTNZVIE-UHFFFAOYSA-N 1 2 399.882 2.384 50 0 GEAALO O=C(c1cn2cccnc2n1)N1CCC[C@@H](c2[nH+]ccn2Cc2ccncc2)C1 ZINC000095519074 208217959 /nfs/dbraw/zinc/21/79/59/208217959.db2.gz ZHJORGVPCYRKME-QGZVFWFLSA-N 1 2 387.447 2.389 50 0 GEAALO CCn1cc[nH+]c1[C@@H]1CCCN(C(=O)CCn2cnc3ccccc3c2=O)C1 ZINC000095517745 208218264 /nfs/dbraw/zinc/21/82/64/208218264.db2.gz PDCHDADKOGGWBM-MRXNPFEDSA-N 1 2 379.464 2.409 50 0 GEAALO Cc1ccc(O)c(C(=O)N2CCC3(CC2)c2[nH+]c[nH]c2CCN3C(=O)C2CC2)c1 ZINC000095519414 208218310 /nfs/dbraw/zinc/21/83/10/208218310.db2.gz VUORVICDOAMASM-UHFFFAOYSA-N 1 2 394.475 2.350 50 0 GEAALO C[C@@H](C(=O)N1CCC(c2[nH+]ccn2Cc2cccnc2)CC1)N1CCCC1=O ZINC000095525009 208224234 /nfs/dbraw/zinc/22/42/34/208224234.db2.gz PWFJFLHJXYGZCQ-INIZCTEOSA-N 1 2 381.480 2.043 50 0 GEAALO NC(=O)Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2ccc(C(F)(F)F)cc2)C1 ZINC000095526318 208226853 /nfs/dbraw/zinc/22/68/53/208226853.db2.gz BHJXIASJUQAJIE-CYBMUJFWSA-N 1 2 380.370 2.407 50 0 GEAALO CC(C)[C@H](C)NS(=O)(=O)c1ccc(S(=O)(=O)Nc2cc[nH+]cc2)cc1 ZINC000095944798 208239932 /nfs/dbraw/zinc/23/99/32/208239932.db2.gz DCRPBTVZDACYOM-ZDUSSCGKSA-N 1 2 383.495 2.205 50 0 GEAALO Cc1cc(NC(=O)CN(C)C(=O)c2c3ccccc3nc3c2C[N@H+](C)CC3)no1 ZINC000095939478 208240531 /nfs/dbraw/zinc/24/05/31/208240531.db2.gz KMHCYRYLUZECDQ-UHFFFAOYSA-N 1 2 393.447 2.230 50 0 GEAALO Cc1cc(NC(=O)CN(C)C(=O)c2c3ccccc3nc3c2C[N@@H+](C)CC3)no1 ZINC000095939478 208240536 /nfs/dbraw/zinc/24/05/36/208240536.db2.gz KMHCYRYLUZECDQ-UHFFFAOYSA-N 1 2 393.447 2.230 50 0 GEAALO CCn1c(Cn2cc[nH+]c2)nnc1C1CCN(C(=O)c2cnc(C)s2)CC1 ZINC000096151518 208275345 /nfs/dbraw/zinc/27/53/45/208275345.db2.gz MJSZVKNRQHEEGZ-UHFFFAOYSA-N 1 2 385.497 2.328 50 0 GEAALO CCc1ccccc1NC(=O)CN(C)C(=O)[C@H](C)[NH+]1CCC(c2nc[nH]n2)CC1 ZINC000095964371 208247191 /nfs/dbraw/zinc/24/71/91/208247191.db2.gz HSLBSJCLXZEKFU-HNNXBMFYSA-N 1 2 398.511 2.032 50 0 GEAALO O=C(NCCOC(=O)[C@@H]1CCn2c(c[nH+]c2-c2ccccc2)C1)c1cccnc1 ZINC000096013430 208252950 /nfs/dbraw/zinc/25/29/50/208252950.db2.gz QBMXNJWGIKUNPN-QGZVFWFLSA-N 1 2 390.443 2.481 50 0 GEAALO NC(=O)Cn1cc[nH+]c1C1CCN(C(=O)CCSCc2ccccc2)CC1 ZINC000096165180 208281185 /nfs/dbraw/zinc/28/11/85/208281185.db2.gz IVARQWPNWBCLEC-UHFFFAOYSA-N 1 2 386.521 2.398 50 0 GEAALO CC[C@](C)(O)C[NH+]1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000097102874 208336105 /nfs/dbraw/zinc/33/61/05/208336105.db2.gz QDAUPPSQCVRCDT-HNNXBMFYSA-N 1 2 381.325 2.461 50 0 GEAALO C[C@@H]1Oc2ccc(NC(=O)c3ccccc3C[NH+]3CCOCC3)cc2NC1=O ZINC000097212587 208343091 /nfs/dbraw/zinc/34/30/91/208343091.db2.gz PGBILDALLTXLFT-AWEZNQCLSA-N 1 2 381.432 2.491 50 0 GEAALO CN(C)c1ccc(C(=O)N(Cc2ccccc2)[C@@H](CO)Cc2c[nH+]c[nH]2)cn1 ZINC000097244212 208343919 /nfs/dbraw/zinc/34/39/19/208343919.db2.gz NWDIOHSCGCIAEG-LJQANCHMSA-N 1 2 379.464 2.117 50 0 GEAALO CN(C)c1ccc(C(=O)N(Cc2ccccc2)[C@@H](CO)Cc2c[nH]c[nH+]2)cn1 ZINC000097244212 208343925 /nfs/dbraw/zinc/34/39/25/208343925.db2.gz NWDIOHSCGCIAEG-LJQANCHMSA-N 1 2 379.464 2.117 50 0 GEAALO CC(=O)NC[C@H]1CCC2(CCN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)CC2)O1 ZINC000097546454 208356649 /nfs/dbraw/zinc/35/66/49/208356649.db2.gz CLGLCEUAADBFBS-LJQANCHMSA-N 1 2 382.464 2.162 50 0 GEAALO O=C(c1ccncc1)N1CC[NH+](CCNc2cc(=O)oc3ccccc23)CC1 ZINC000101663642 208395027 /nfs/dbraw/zinc/39/50/27/208395027.db2.gz DOMSTSSPLZYRJT-UHFFFAOYSA-N 1 2 378.432 2.058 50 0 GEAALO O=C(CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000103032537 208713216 /nfs/dbraw/zinc/71/32/16/208713216.db2.gz IOFMOBSEHLQXCC-GASCZTMLSA-N 1 2 390.509 2.243 50 0 GEAALO CCOc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3csc(C)n3)C[C@H]2O)cc1 ZINC000299798438 209091075 /nfs/dbraw/zinc/09/10/75/209091075.db2.gz SAXYNGONOPAAJR-QZTJIDSGSA-N 1 2 375.494 2.215 50 0 GEAALO CCOc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3csc(C)n3)C[C@H]2O)cc1 ZINC000299798438 209091078 /nfs/dbraw/zinc/09/10/78/209091078.db2.gz SAXYNGONOPAAJR-QZTJIDSGSA-N 1 2 375.494 2.215 50 0 GEAALO COC[C@@H](c1ccccn1)[N@H+](C)Cc1cc(=O)n2nc(SC)sc2n1 ZINC000240203807 209018206 /nfs/dbraw/zinc/01/82/06/209018206.db2.gz JTOXEJULUIEFJL-ZDUSSCGKSA-N 1 2 377.495 2.087 50 0 GEAALO COC[C@@H](c1ccccn1)[N@@H+](C)Cc1cc(=O)n2nc(SC)sc2n1 ZINC000240203807 209018208 /nfs/dbraw/zinc/01/82/08/209018208.db2.gz JTOXEJULUIEFJL-ZDUSSCGKSA-N 1 2 377.495 2.087 50 0 GEAALO C[N@H+](CCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)Cc1nc2ccc(F)cc2[nH]1 ZINC000244601723 209021352 /nfs/dbraw/zinc/02/13/52/209021352.db2.gz DQZCJJQOOCFCBT-UHFFFAOYSA-N 1 2 382.399 2.332 50 0 GEAALO C[N@@H+](CCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)Cc1nc2ccc(F)cc2[nH]1 ZINC000244601723 209021356 /nfs/dbraw/zinc/02/13/56/209021356.db2.gz DQZCJJQOOCFCBT-UHFFFAOYSA-N 1 2 382.399 2.332 50 0 GEAALO C[NH+]1CCN(S(=O)(=O)c2cccc(C(=O)N[C@H]3CCc4ccccc43)c2)CC1 ZINC000016471751 221364075 /nfs/dbraw/zinc/36/40/75/221364075.db2.gz DYPWEWLVSYZRBW-FQEVSTJZSA-N 1 2 399.516 2.040 50 0 GEAALO C[C@@H]1CN(c2ccc(CNC(=O)[C@H]3Oc4ccccc4O[C@H]3C)c[nH+]2)CCO1 ZINC000040112402 132396800 /nfs/dbraw/zinc/39/68/00/132396800.db2.gz JKOYUJCDAJKQPJ-SIFCLUCFSA-N 1 2 383.448 2.151 50 0 GEAALO COc1ccccc1N1CC[NH+](CC(=O)Nc2ccc3c(c2)OCCO3)CC1 ZINC000058139247 136154581 /nfs/dbraw/zinc/15/45/81/136154581.db2.gz FUAAWFFGYJOXMV-UHFFFAOYSA-N 1 2 383.448 2.227 50 0 GEAALO CN1CC(=O)Nc2cc(C(=O)NCc3ccc(-n4cc[nH+]c4)c(F)c3)ccc21 ZINC000058201926 136155040 /nfs/dbraw/zinc/15/50/40/136155040.db2.gz RQUPNWGUFMKCAC-UHFFFAOYSA-N 1 2 379.395 2.330 50 0 GEAALO O=C(NCC[NH+]1CCN(c2ccccc2F)CC1)[C@@H]1COc2ccccc2C1 ZINC000059560445 136155695 /nfs/dbraw/zinc/15/56/95/136155695.db2.gz IQJMQGVUTQNZIA-SFHVURJKSA-N 1 2 383.467 2.315 50 0 GEAALO C[C@H](NC(=O)CCCc1ccccc1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000065212754 136160157 /nfs/dbraw/zinc/16/01/57/136160157.db2.gz MHBOMEMQGUBQFU-SFHVURJKSA-N 1 2 380.492 2.258 50 0 GEAALO O=C(CCc1cc[nH+]c(N2CCOCC2)c1)N1CCN(c2ccccc2F)CC1 ZINC000065269824 136162273 /nfs/dbraw/zinc/16/22/73/136162273.db2.gz IVOUHVFOEBYXRM-UHFFFAOYSA-N 1 2 398.482 2.339 50 0 GEAALO COC(=O)c1ccc(N2CCN(c3ccc(Cn4cc[nH+]c4)cn3)CC2)cc1 ZINC000077391725 136172107 /nfs/dbraw/zinc/17/21/07/136172107.db2.gz ALPCTGPHHYTPFP-UHFFFAOYSA-N 1 2 377.448 2.440 50 0 GEAALO O=C(CC[C@H]1CCCN(C(=O)c2cnco2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000095504098 136180167 /nfs/dbraw/zinc/18/01/67/136180167.db2.gz WDCOAURZPNUJQN-QGZVFWFLSA-N 1 2 397.479 2.051 50 0 GEAALO C[NH+]1CCN(C(=O)c2cncc(N3CCC[C@@](C)(c4ccccc4)C3)n2)CC1 ZINC000095529525 136181582 /nfs/dbraw/zinc/18/15/82/136181582.db2.gz XWQFJEICUFIELG-JOCHJYFZSA-N 1 2 379.508 2.422 50 0 GEAALO CN(C(=O)OC(C)(C)C)[C@H]1CCCN(c2cc(N3CCC[C@@H]3CO)nc[nH+]2)C1 ZINC000097212454 136188363 /nfs/dbraw/zinc/18/83/63/136188363.db2.gz VUXQMXOUQHYFDC-JKSUJKDBSA-N 1 2 391.516 2.273 50 0 GEAALO CN(C(=O)OC(C)(C)C)[C@H]1CCCN(c2cc(N3CCC[C@@H]3CO)[nH+]cn2)C1 ZINC000097212454 136188364 /nfs/dbraw/zinc/18/83/64/136188364.db2.gz VUXQMXOUQHYFDC-JKSUJKDBSA-N 1 2 391.516 2.273 50 0 GEAALO OC[C@H](O)c1cc2n(n1)CC[N@@H+](C1CCN(c3ccccc3Cl)CC1)C2 ZINC000219933353 136204614 /nfs/dbraw/zinc/20/46/14/136204614.db2.gz WCFATXSWJMYFQH-IBGZPJMESA-N 1 2 376.888 2.047 50 0 GEAALO OC[C@H](O)c1cc2n(n1)CC[N@H+](C1CCN(c3ccccc3Cl)CC1)C2 ZINC000219933353 136204615 /nfs/dbraw/zinc/20/46/15/136204615.db2.gz WCFATXSWJMYFQH-IBGZPJMESA-N 1 2 376.888 2.047 50 0 GEAALO Cc1cccc(CN2CC[N@H+](Cc3cccn3-c3ncccn3)C[C@@H]2CCO)n1 ZINC000019219881 524400714 /nfs/dbraw/zinc/40/07/14/524400714.db2.gz AMFKXQQEVUPVCN-FQEVSTJZSA-N 1 2 392.507 2.040 50 0 GEAALO Cc1cccc(CN2CC[N@@H+](Cc3cccn3-c3ncccn3)C[C@@H]2CCO)n1 ZINC000019219881 524400728 /nfs/dbraw/zinc/40/07/28/524400728.db2.gz AMFKXQQEVUPVCN-FQEVSTJZSA-N 1 2 392.507 2.040 50 0 GEAALO CCNC(=O)[C@@H](C)NC(=O)c1csc2c1CC[N@H+](Cc1c(C)noc1C)C2 ZINC000426425141 528195245 /nfs/dbraw/zinc/19/52/45/528195245.db2.gz FOJDFRLAVKGNFM-GFCCVEGCSA-N 1 2 390.509 2.166 50 0 GEAALO CCNC(=O)[C@@H](C)NC(=O)c1csc2c1CC[N@@H+](Cc1c(C)noc1C)C2 ZINC000426425141 528195253 /nfs/dbraw/zinc/19/52/53/528195253.db2.gz FOJDFRLAVKGNFM-GFCCVEGCSA-N 1 2 390.509 2.166 50 0 GEAALO CCOCC[NH+]1CCN(C(=O)c2ccc(-c3ccccc3C(N)=O)cc2)CC1 ZINC000426598807 528746069 /nfs/dbraw/zinc/74/60/69/528746069.db2.gz CURNXESRUFCMJV-UHFFFAOYSA-N 1 2 381.476 2.247 50 0 GEAALO CC[C@@H]1c2ccsc2CC[N@H+]1CC(=O)N1C[C@@H](C(N)=O)Oc2ccccc21 ZINC000012861912 535966506 /nfs/dbraw/zinc/96/65/06/535966506.db2.gz JJZZVMOFGRIBRW-PBHICJAKSA-N 1 2 385.489 2.337 50 0 GEAALO CC[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)N1C[C@@H](C(N)=O)Oc2ccccc21 ZINC000012861912 535966512 /nfs/dbraw/zinc/96/65/12/535966512.db2.gz JJZZVMOFGRIBRW-PBHICJAKSA-N 1 2 385.489 2.337 50 0 GEAALO O=C(NCCCNc1cccc[nH+]1)Nc1cccc(Cn2cccnc2=O)c1 ZINC000047734753 570214627 /nfs/dbraw/zinc/21/46/27/570214627.db2.gz LJVOWRGCNVPKPC-UHFFFAOYSA-N 1 2 378.436 2.310 50 0 GEAALO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC000048128755 570219120 /nfs/dbraw/zinc/21/91/20/570219120.db2.gz MNEFEPUBWFISPQ-HIFRSBDPSA-N 1 2 394.397 2.455 50 0 GEAALO O=C(NCc1cc[nH+]c(N2CCOCC2)c1)Nc1cccnc1N1CCCC1 ZINC000048171467 570219772 /nfs/dbraw/zinc/21/97/72/570219772.db2.gz PCSLBMOIJDNMAJ-UHFFFAOYSA-N 1 2 382.468 2.235 50 0 GEAALO Cn1cc[nH+]c1[C@@H](NC(=O)c1cnc2sccn2c1=O)c1ccccc1F ZINC000048231434 570223762 /nfs/dbraw/zinc/22/37/62/570223762.db2.gz IXBXCFRXLPJWIO-AWEZNQCLSA-N 1 2 383.408 2.148 50 0 GEAALO CC(C)[C@@H](C(=O)NCC(=O)Nc1ccc(F)c(F)c1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000048300816 570234219 /nfs/dbraw/zinc/23/42/19/570234219.db2.gz AUKJYJCEDXWWQN-VFVRVIDISA-N 1 2 383.439 2.153 50 0 GEAALO Cc1cccc(CN2CC[N@H+](Cc3cccn3-c3ncccn3)C[C@H]2CCO)n1 ZINC000104422436 570258336 /nfs/dbraw/zinc/25/83/36/570258336.db2.gz AMFKXQQEVUPVCN-HXUWFJFHSA-N 1 2 392.507 2.040 50 0 GEAALO Cc1cccc(CN2CC[N@@H+](Cc3cccn3-c3ncccn3)C[C@H]2CCO)n1 ZINC000104422436 570258338 /nfs/dbraw/zinc/25/83/38/570258338.db2.gz AMFKXQQEVUPVCN-HXUWFJFHSA-N 1 2 392.507 2.040 50 0 GEAALO C[N@@H+](CC(=O)c1c[nH]c(C(=O)N2CCCC2)c1)C[C@@H]1COc2ccccc2O1 ZINC000012901860 570288839 /nfs/dbraw/zinc/28/88/39/570288839.db2.gz GNOSBINMBDNBPL-MRXNPFEDSA-N 1 2 383.448 2.205 50 0 GEAALO C[N@H+](CC(=O)c1c[nH]c(C(=O)N2CCCC2)c1)C[C@@H]1COc2ccccc2O1 ZINC000012901860 570288844 /nfs/dbraw/zinc/28/88/44/570288844.db2.gz GNOSBINMBDNBPL-MRXNPFEDSA-N 1 2 383.448 2.205 50 0 GEAALO COc1ccc(C[NH+]2CCN(C(=O)CCNC(=O)c3ccccc3)CC2)cc1F ZINC000012906786 570290222 /nfs/dbraw/zinc/29/02/22/570290222.db2.gz LCTJKKLKYATYEU-UHFFFAOYSA-N 1 2 399.466 2.299 50 0 GEAALO COCCN(C[C@H]1C[N@H+](Cc2ccco2)CCO1)C(=O)c1ccc(F)cc1 ZINC000034667134 570292605 /nfs/dbraw/zinc/29/26/05/570292605.db2.gz AECGHXYIIOIVKT-LJQANCHMSA-N 1 2 376.428 2.408 50 0 GEAALO COCCN(C[C@H]1C[N@@H+](Cc2ccco2)CCO1)C(=O)c1ccc(F)cc1 ZINC000034667134 570292606 /nfs/dbraw/zinc/29/26/06/570292606.db2.gz AECGHXYIIOIVKT-LJQANCHMSA-N 1 2 376.428 2.408 50 0 GEAALO COc1ccc(C[NH+]2CCN(Cc3nc(C(=O)NCC(C)C)co3)CC2)cc1 ZINC000034677914 570294511 /nfs/dbraw/zinc/29/45/11/570294511.db2.gz LCLMAKLVPNSXKB-UHFFFAOYSA-N 1 2 386.496 2.387 50 0 GEAALO C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(NC(=O)Cn3cc[nH+]c3)cc2)C1 ZINC000010809810 570301112 /nfs/dbraw/zinc/30/11/12/570301112.db2.gz UKOQXUIKOQPDIW-GJZGRUSLSA-N 1 2 376.482 2.188 50 0 GEAALO CC(C)C(=O)NCCNC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000043312783 570316790 /nfs/dbraw/zinc/31/67/90/570316790.db2.gz CTDLGWJVRWEPQP-IYBDPMFKSA-N 1 2 376.501 2.190 50 0 GEAALO CC(C)C(=O)NCCNC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000043312783 570316791 /nfs/dbraw/zinc/31/67/91/570316791.db2.gz CTDLGWJVRWEPQP-IYBDPMFKSA-N 1 2 376.501 2.190 50 0 GEAALO CC[C@@H](C)[N@H+](CC(=O)[O-])CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1 ZINC000237075069 570327029 /nfs/dbraw/zinc/32/70/29/570327029.db2.gz UWUBJOGWANLAHX-GOSISDBHSA-N 1 2 375.513 2.214 50 0 GEAALO CC[C@@H](C)[N@@H+](CC(=O)[O-])CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1 ZINC000237075069 570327032 /nfs/dbraw/zinc/32/70/32/570327032.db2.gz UWUBJOGWANLAHX-GOSISDBHSA-N 1 2 375.513 2.214 50 0 GEAALO CC[C@@H](C)[NH+](CC(=O)[O-])CC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1 ZINC000237075069 570327034 /nfs/dbraw/zinc/32/70/34/570327034.db2.gz UWUBJOGWANLAHX-GOSISDBHSA-N 1 2 375.513 2.214 50 0 GEAALO CC[C@@H](C)[NH+](CC(=O)[O-])CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000237075069 570327036 /nfs/dbraw/zinc/32/70/36/570327036.db2.gz UWUBJOGWANLAHX-GOSISDBHSA-N 1 2 375.513 2.214 50 0 GEAALO C[C@H](NC(=O)c1ccco1)C(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000023639397 570328916 /nfs/dbraw/zinc/32/89/16/570328916.db2.gz QDBKLVNPIQHWLP-AWEZNQCLSA-N 1 2 375.856 2.396 50 0 GEAALO COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCCCn2cc[nH+]c2)cc1 ZINC000004870581 570351934 /nfs/dbraw/zinc/35/19/34/570351934.db2.gz BYYVYSBXXMEQDK-RGEXLXHISA-N 1 2 394.431 2.462 50 0 GEAALO C[C@H](C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)n1c2ccccc2oc1=O ZINC000012987500 570407588 /nfs/dbraw/zinc/40/75/88/570407588.db2.gz IEHLJVIAMVOWHO-SJLPKXTDSA-N 1 2 395.459 2.173 50 0 GEAALO C[C@H](C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)n1c2ccccc2oc1=O ZINC000012987500 570407593 /nfs/dbraw/zinc/40/75/93/570407593.db2.gz IEHLJVIAMVOWHO-SJLPKXTDSA-N 1 2 395.459 2.173 50 0 GEAALO COc1cc2nc(C[N@H+](C)C[C@@H]3COc4ccccc4O3)[nH]c(=O)c2cc1OC ZINC000016628457 570455641 /nfs/dbraw/zinc/45/56/41/570455641.db2.gz SJYQIGWVIRTLLW-CYBMUJFWSA-N 1 2 397.431 2.212 50 0 GEAALO COc1cc2nc(C[N@@H+](C)C[C@@H]3COc4ccccc4O3)[nH]c(=O)c2cc1OC ZINC000016628457 570455642 /nfs/dbraw/zinc/45/56/42/570455642.db2.gz SJYQIGWVIRTLLW-CYBMUJFWSA-N 1 2 397.431 2.212 50 0 GEAALO O=C(N1CC[C@@H]([NH+]2CCOCC2)C1)C1(c2ccc(Br)cc2)CC1 ZINC000072297655 570504086 /nfs/dbraw/zinc/50/40/86/570504086.db2.gz WVWSTLOIZBBBSJ-MRXNPFEDSA-N 1 2 379.298 2.414 50 0 GEAALO CC(C)(C)OC(=O)Nc1cccc(C(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)c1 ZINC000072306482 570524569 /nfs/dbraw/zinc/52/45/69/570524569.db2.gz DFHHTRZHWDWXKK-UHFFFAOYSA-N 1 2 390.484 2.055 50 0 GEAALO O=C(Nc1ccccc1)[C@H]1CCCN(c2cc(N3CCC[C@H]3CO)nc[nH+]2)C1 ZINC000225419601 570572107 /nfs/dbraw/zinc/57/21/07/570572107.db2.gz DOPAFZYRIPPEEL-WMZOPIPTSA-N 1 2 381.480 2.293 50 0 GEAALO O=C(Nc1ccccc1)[C@H]1CCCN(c2cc(N3CCC[C@H]3CO)[nH+]cn2)C1 ZINC000225419601 570572109 /nfs/dbraw/zinc/57/21/09/570572109.db2.gz DOPAFZYRIPPEEL-WMZOPIPTSA-N 1 2 381.480 2.293 50 0 GEAALO CC(=O)N1CCC(Oc2ccc(Cl)cc2C(=O)NCc2[nH]cc[nH+]2)CC1 ZINC000011663696 570578029 /nfs/dbraw/zinc/57/80/29/570578029.db2.gz UQPYHCXDCMZORR-UHFFFAOYSA-N 1 2 376.844 2.383 50 0 GEAALO O=C(CC[C@@H]1CCCN(c2cnccn2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000012005008 570598328 /nfs/dbraw/zinc/59/83/28/570598328.db2.gz CEFIVRKLSALNEC-SFHVURJKSA-N 1 2 380.496 2.217 50 0 GEAALO C[N@H+](Cc1ccccc1Cl)[C@H]1CN(S(=O)(=O)c2ccccc2)C[C@@H]1O ZINC000012028099 570599301 /nfs/dbraw/zinc/59/93/01/570599301.db2.gz MHRSGKQMHUDLQV-ROUUACIJSA-N 1 2 380.897 2.206 50 0 GEAALO C[N@@H+](Cc1ccccc1Cl)[C@H]1CN(S(=O)(=O)c2ccccc2)C[C@@H]1O ZINC000012028099 570599307 /nfs/dbraw/zinc/59/93/07/570599307.db2.gz MHRSGKQMHUDLQV-ROUUACIJSA-N 1 2 380.897 2.206 50 0 GEAALO CCS(=O)(=O)N1CCN(c2nc(C)[nH+]c(C)c2Cc2ccccc2C)CC1 ZINC000006801627 570604139 /nfs/dbraw/zinc/60/41/39/570604139.db2.gz LPYQUJOBQOJEOK-UHFFFAOYSA-N 1 2 388.537 2.464 50 0 GEAALO CC(=O)Nc1ccc(NC(=O)[C@H](C2CCCC2)[NH+]2CCN(C(C)=O)CC2)cc1 ZINC000036311979 570610231 /nfs/dbraw/zinc/61/02/31/570610231.db2.gz KDEZSKIMEJPNCO-FQEVSTJZSA-N 1 2 386.496 2.306 50 0 GEAALO Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C(C)C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000229691186 570666361 /nfs/dbraw/zinc/66/63/61/570666361.db2.gz ANVWQEZFTKMBQK-ZWOKBUDYSA-N 1 2 375.513 2.492 50 0 GEAALO C[C@@H]1Sc2ccc(C(=O)NCc3ccc(N4CCOCC4)[nH+]c3)cc2NC1=O ZINC000011128695 570668139 /nfs/dbraw/zinc/66/81/39/570668139.db2.gz APQIQLIABPPTKZ-ZDUSSCGKSA-N 1 2 398.488 2.281 50 0 GEAALO CCCc1c[nH+]c(C)nc1N1CCCn2nc([C@H](O)c3ccnn3C)cc2C1 ZINC000230502823 570668925 /nfs/dbraw/zinc/66/89/25/570668925.db2.gz XHJBKOCBUUKRLX-IBGZPJMESA-N 1 2 381.484 2.160 50 0 GEAALO C[C@H](c1nc(C(C)(C)C)no1)N1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000036392068 570675377 /nfs/dbraw/zinc/67/53/77/570675377.db2.gz OJVYNDJWBWGFFZ-JKSUJKDBSA-N 1 2 377.533 2.447 50 0 GEAALO O=C(CSc1[nH+]cnc2c1cnn2-c1ccc(F)cc1)NC[C@H]1CCCO1 ZINC000004341571 570676397 /nfs/dbraw/zinc/67/63/97/570676397.db2.gz ABDLIIONBBQBGV-CQSZACIVSA-N 1 2 387.440 2.342 50 0 GEAALO CCCCNC(=O)NC(=O)C[N@@H+](Cc1ccccc1OC)C[C@H]1CCCO1 ZINC000036394347 570677272 /nfs/dbraw/zinc/67/72/72/570677272.db2.gz JTVFIFROWGCMOM-QGZVFWFLSA-N 1 2 377.485 2.302 50 0 GEAALO CCCCNC(=O)NC(=O)C[N@H+](Cc1ccccc1OC)C[C@H]1CCCO1 ZINC000036394347 570677276 /nfs/dbraw/zinc/67/72/76/570677276.db2.gz JTVFIFROWGCMOM-QGZVFWFLSA-N 1 2 377.485 2.302 50 0 GEAALO CCCCNC(=O)NC(=O)C[N@@H+](Cc1ccccc1OC)C[C@@H]1CCCO1 ZINC000036394346 570677451 /nfs/dbraw/zinc/67/74/51/570677451.db2.gz JTVFIFROWGCMOM-KRWDZBQOSA-N 1 2 377.485 2.302 50 0 GEAALO CCCCNC(=O)NC(=O)C[N@H+](Cc1ccccc1OC)C[C@@H]1CCCO1 ZINC000036394346 570677453 /nfs/dbraw/zinc/67/74/53/570677453.db2.gz JTVFIFROWGCMOM-KRWDZBQOSA-N 1 2 377.485 2.302 50 0 GEAALO CCOC(=O)N1CC[NH+]([C@@H]2CCCN(C(=O)c3ccccc3N(C)C)C2)CC1 ZINC000055197551 570686966 /nfs/dbraw/zinc/68/69/66/570686966.db2.gz AHUMLFKMFGPCHM-QGZVFWFLSA-N 1 2 388.512 2.131 50 0 GEAALO COc1ccc(CNC(=O)COC(=O)Cn2c(C)[nH+]c3ccccc32)cc1OC ZINC000012659123 570696002 /nfs/dbraw/zinc/69/60/02/570696002.db2.gz ZWLXTQPLDFOIJK-UHFFFAOYSA-N 1 2 397.431 2.222 50 0 GEAALO Cc1nc(C[NH2+]Cc2cnc3c(c2)c(C)nn3[C@H]2CCS(=O)(=O)C2)cs1 ZINC000058141221 570710694 /nfs/dbraw/zinc/71/06/94/570710694.db2.gz XPQXACKWHOWUIB-HNNXBMFYSA-N 1 2 391.522 2.154 50 0 GEAALO CCCCn1c(C[NH+]2CCC3(CC2)NC(N(C)C)=NC3=O)nc2ccccc21 ZINC000063847818 570751360 /nfs/dbraw/zinc/75/13/60/570751360.db2.gz VLJBQDIECOEKCG-UHFFFAOYSA-N 1 2 382.512 2.218 50 0 GEAALO Cc1ccc(CNC(=O)c2ccc3c(c2)nnn3CC[NH+]2CCOCC2)cc1C ZINC000065255178 570753273 /nfs/dbraw/zinc/75/32/73/570753273.db2.gz LPGZAWMHMABKOD-UHFFFAOYSA-N 1 2 393.491 2.310 50 0 GEAALO COc1cccc(-c2nc(C(=O)N3CC[NH+](C)CC3)nn2-c2ccccc2)c1 ZINC000013519536 570756606 /nfs/dbraw/zinc/75/66/06/570756606.db2.gz DLUZXYQIIDQPHN-UHFFFAOYSA-N 1 2 377.448 2.331 50 0 GEAALO O=C(Cc1n[nH]c(=O)c2ccccc12)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000013571117 570759294 /nfs/dbraw/zinc/75/92/94/570759294.db2.gz OAODJGWAPMTQDP-RMKNXTFCSA-N 1 2 388.471 2.323 50 0 GEAALO CCN(CC)c1cc(CCC(=O)N2CCN(C(=O)c3ccco3)CC2)cc[nH+]1 ZINC000065269935 570772788 /nfs/dbraw/zinc/77/27/88/570772788.db2.gz QGGMINHWQQRDJQ-UHFFFAOYSA-N 1 2 384.480 2.438 50 0 GEAALO CC(C)(CNC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)[NH+]1CCOCC1 ZINC000022019030 570777329 /nfs/dbraw/zinc/77/73/29/570777329.db2.gz HISXXNHHYISXKZ-UHFFFAOYSA-N 1 2 388.512 2.158 50 0 GEAALO O=C(Nc1ccc(F)cc1F)N1CCN(c2cc(-n3cc[nH+]c3)ncn2)CC1 ZINC000067603448 570782681 /nfs/dbraw/zinc/78/26/81/570782681.db2.gz WSUVOPFDXSAWIO-UHFFFAOYSA-N 1 2 385.378 2.295 50 0 GEAALO Cc1nc(Nc2ccc(NC(=O)[C@H]3CCCO3)cc2)cc(N2CCOCC2)[nH+]1 ZINC000067601803 570782694 /nfs/dbraw/zinc/78/26/94/570782694.db2.gz RBJFVVTYWYUGHH-QGZVFWFLSA-N 1 2 383.452 2.483 50 0 GEAALO Cc1ccc(NC(=O)N2CCN(c3cc(-n4cc[nH+]c4)ncn3)CC2)cc1F ZINC000067613182 570783874 /nfs/dbraw/zinc/78/38/74/570783874.db2.gz MEAYJLBYCKLXPF-UHFFFAOYSA-N 1 2 381.415 2.464 50 0 GEAALO CNc1nc(N2CCN(Cc3c(C)nn(C)c3Cl)CC2)[nH+]c2c1CCC2 ZINC000067723692 570787727 /nfs/dbraw/zinc/78/77/27/570787727.db2.gz QPRVKGQHWDPPQT-UHFFFAOYSA-N 1 2 375.908 2.025 50 0 GEAALO C[N@@H+]1[C@@H](c2ccc(Cl)cc2)[C@@H](C(=O)NCCc2c[nH+]c[nH]2)C[C@@]1(C)C(=O)[O-] ZINC000067742760 570789743 /nfs/dbraw/zinc/78/97/43/570789743.db2.gz JSBLWCLVQGCNFQ-BXWFABGCSA-N 1 2 390.871 2.258 50 0 GEAALO C[N@H+]1[C@@H](c2ccc(Cl)cc2)[C@@H](C(=O)NCCc2c[nH+]c[nH]2)C[C@@]1(C)C(=O)[O-] ZINC000067742760 570789745 /nfs/dbraw/zinc/78/97/45/570789745.db2.gz JSBLWCLVQGCNFQ-BXWFABGCSA-N 1 2 390.871 2.258 50 0 GEAALO C[N@@H+]1[C@@H](c2ccc(Cl)cc2)[C@@H](C(=O)NCCc2c[nH]c[nH+]2)C[C@@]1(C)C(=O)[O-] ZINC000067742760 570789746 /nfs/dbraw/zinc/78/97/46/570789746.db2.gz JSBLWCLVQGCNFQ-BXWFABGCSA-N 1 2 390.871 2.258 50 0 GEAALO C[N@H+]1[C@@H](c2ccc(Cl)cc2)[C@@H](C(=O)NCCc2c[nH]c[nH+]2)C[C@@]1(C)C(=O)[O-] ZINC000067742760 570789748 /nfs/dbraw/zinc/78/97/48/570789748.db2.gz JSBLWCLVQGCNFQ-BXWFABGCSA-N 1 2 390.871 2.258 50 0 GEAALO COc1c(C)c[nH+]c(CNC(=O)C2=C(C)NC(=O)N[C@@H]2c2cccnc2)c1C ZINC000067907936 570796864 /nfs/dbraw/zinc/79/68/64/570796864.db2.gz QHIAYCIPIPXJSS-QGZVFWFLSA-N 1 2 381.436 2.046 50 0 GEAALO Cc1ccc(C[NH+]2CCN(c3cncc(C(=O)N4CCCC4)n3)CC2)cc1F ZINC000067919991 570797430 /nfs/dbraw/zinc/79/74/30/570797430.db2.gz LKZXRMSPKJVDPU-UHFFFAOYSA-N 1 2 383.471 2.482 50 0 GEAALO Cc1ccc(-n2c(O)c([C@@H]3[NH2+]CCc4c5ccccc5[nH]c43)c(=O)[nH]c2=O)cc1 ZINC000018207570 570810388 /nfs/dbraw/zinc/81/03/88/570810388.db2.gz BXSUVJQQQZQDDJ-IBGZPJMESA-N 1 2 388.427 2.256 50 0 GEAALO Cn1cc[nH+]c1[C@@H](NC(=O)c1cccc(S(C)(=O)=O)c1)c1cccc(F)c1 ZINC000012506906 570822774 /nfs/dbraw/zinc/82/27/74/570822774.db2.gz YHRFADVEQPORJX-KRWDZBQOSA-N 1 2 387.436 2.482 50 0 GEAALO CC(=O)Nc1ccc(S(=O)(=O)NCC2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000043955260 570844345 /nfs/dbraw/zinc/84/43/45/570844345.db2.gz ICZSUKGRAYVRPG-UHFFFAOYSA-N 1 2 388.493 2.235 50 0 GEAALO CC(C)(CNC(=O)CSc1nccn1-c1cccc(F)c1)[NH+]1CCOCC1 ZINC000012547904 570849835 /nfs/dbraw/zinc/84/98/35/570849835.db2.gz YHAVAPUBMGYNGA-UHFFFAOYSA-N 1 2 392.500 2.331 50 0 GEAALO C[C@H](NC(=O)Cn1nnc(-c2cccs2)n1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000012547383 570850312 /nfs/dbraw/zinc/85/03/12/570850312.db2.gz HOJVVDUXJNLCSY-ZDUSSCGKSA-N 1 2 379.449 2.465 50 0 GEAALO Cc1cccn2c(C[N@@H+]3CCCC[C@@H]3C(N)=O)c(C(=O)N3CCCCC3)nc12 ZINC000071764806 570851505 /nfs/dbraw/zinc/85/15/05/570851505.db2.gz DSHZGKCTVOLFLG-MRXNPFEDSA-N 1 2 383.496 2.109 50 0 GEAALO Cc1cccn2c(C[N@H+]3CCCC[C@@H]3C(N)=O)c(C(=O)N3CCCCC3)nc12 ZINC000071764806 570851507 /nfs/dbraw/zinc/85/15/07/570851507.db2.gz DSHZGKCTVOLFLG-MRXNPFEDSA-N 1 2 383.496 2.109 50 0 GEAALO Cc1cc(C[NH+]2CCN(Cc3nc(N)nc(Nc4ccccc4C)n3)CC2)on1 ZINC000032845002 570852470 /nfs/dbraw/zinc/85/24/70/570852470.db2.gz QJNZTATVFAAFKB-UHFFFAOYSA-N 1 2 394.483 2.120 50 0 GEAALO NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NS(=O)(=O)c2cccc(F)c2F)c1 ZINC000170609140 570865633 /nfs/dbraw/zinc/86/56/33/570865633.db2.gz CQVCSVIWCOWBNN-OAHLLOKOSA-N 1 2 395.431 2.215 50 0 GEAALO NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NS(=O)(=O)c2cccc(F)c2F)c1 ZINC000170609140 570865635 /nfs/dbraw/zinc/86/56/35/570865635.db2.gz CQVCSVIWCOWBNN-OAHLLOKOSA-N 1 2 395.431 2.215 50 0 GEAALO Cc1cc(N2CCN(CC(=O)Nc3ccc4c(c3)OCO4)CC2)nc(C(C)C)[nH+]1 ZINC000015032366 570873053 /nfs/dbraw/zinc/87/30/53/570873053.db2.gz GTDKAZWCKQNZIV-UHFFFAOYSA-N 1 2 397.479 2.398 50 0 GEAALO CC[N@H+](CCCNC(=O)c1ccc(OCC(N)=O)c(OC)c1)c1ccccc1 ZINC000032879729 570882099 /nfs/dbraw/zinc/88/20/99/570882099.db2.gz NXGQMSOINTYVRL-UHFFFAOYSA-N 1 2 385.464 2.206 50 0 GEAALO CC[N@@H+](CCCNC(=O)c1ccc(OCC(N)=O)c(OC)c1)c1ccccc1 ZINC000032879729 570882100 /nfs/dbraw/zinc/88/21/00/570882100.db2.gz NXGQMSOINTYVRL-UHFFFAOYSA-N 1 2 385.464 2.206 50 0 GEAALO Cn1cc[nH+]c1[C@@H](NC(=O)c1cnc2ccccn2c1=O)c1ccc(F)cc1 ZINC000032900273 570894191 /nfs/dbraw/zinc/89/41/91/570894191.db2.gz CRLXHPLGAKFJQA-KRWDZBQOSA-N 1 2 377.379 2.087 50 0 GEAALO C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCC(c2nc3ccccc3n2C)CC1 ZINC000534666918 570919378 /nfs/dbraw/zinc/91/93/78/570919378.db2.gz PVGKYGBLMBXSOH-INIZCTEOSA-N 1 2 385.512 2.183 50 0 GEAALO COc1ccc(CCC2CC[NH+](Cn3nc(-n4cncn4)ccc3=O)CC2)cc1 ZINC000032936785 570948587 /nfs/dbraw/zinc/94/85/87/570948587.db2.gz RBOQEDOAFQCROT-UHFFFAOYSA-N 1 2 394.479 2.135 50 0 GEAALO COc1cccc(OCC[NH+]2CCN(C(=O)NCc3cscn3)CC2)c1 ZINC000138066392 570962356 /nfs/dbraw/zinc/96/23/56/570962356.db2.gz WXNLUSRGCYXVNO-UHFFFAOYSA-N 1 2 376.482 2.058 50 0 GEAALO C[C@H](NC(=O)CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000248380022 570966246 /nfs/dbraw/zinc/96/62/46/570966246.db2.gz ORRNVKXYSGREIG-BMGDILEWSA-N 1 2 378.432 2.001 50 0 GEAALO O=C(CN1CC[NH+](C/C=C/c2ccc(Cl)cc2)CC1)Nc1nncs1 ZINC000252536376 645566203 /nfs/dbraw/zinc/56/62/03/645566203.db2.gz IIDHKUJFFUOAPL-OWOJBTEDSA-N 1 2 377.901 2.461 50 0 GEAALO Cc1cccn2cc(CNC(=O)N3CCC[C@H](C(=O)c4nccn4C)C3)[nH+]c12 ZINC000426515791 231234465 /nfs/dbraw/zinc/23/44/65/231234465.db2.gz UXNFISPZQAAOEI-HNNXBMFYSA-N 1 2 380.452 2.181 50 0 GEAALO CCc1ccc(C[N@@H+]2CCc3c(C(=O)NC(C)(C)C(N)=O)csc3C2)nc1 ZINC000426712819 529643009 /nfs/dbraw/zinc/64/30/09/529643009.db2.gz VBYFOOAOVIZTKF-UHFFFAOYSA-N 1 2 386.521 2.258 50 0 GEAALO CCc1ccc(C[N@H+]2CCc3c(C(=O)NC(C)(C)C(N)=O)csc3C2)nc1 ZINC000426712819 529643011 /nfs/dbraw/zinc/64/30/11/529643011.db2.gz VBYFOOAOVIZTKF-UHFFFAOYSA-N 1 2 386.521 2.258 50 0 GEAALO CC1=C(C(N)=O)[C@H](c2ccc(Cl)cc2Cl)N2NC(CCCO)=[NH+]C2=N1 ZINC000004294228 531512815 /nfs/dbraw/zinc/51/28/15/531512815.db2.gz LFZHKWRCVPPWKQ-AWEZNQCLSA-N 1 2 382.251 2.155 50 0 GEAALO O=S(=O)(/C=C/c1ccccc1)N1CCCSC[C@@H]1C[NH+]1CCOCC1 ZINC000090609257 531924120 /nfs/dbraw/zinc/92/41/20/531924120.db2.gz BGIKRACXWYNYLC-XPUDNMOSSA-N 1 2 382.551 2.127 50 0 GEAALO O=C(NCCC1=CCCCC1)C(=O)NC[C@H](c1ccoc1)[NH+]1CCSCC1 ZINC000244933315 206280427 /nfs/dbraw/zinc/28/04/27/206280427.db2.gz CLWRVJRHJWLNMN-GOSISDBHSA-N 1 2 391.537 2.492 50 0 GEAALO COC(=O)c1cccc(C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)c1 ZINC000010291739 206383124 /nfs/dbraw/zinc/38/31/24/206383124.db2.gz QUDZFONVHMGKHC-UHFFFAOYSA-N 1 2 381.432 2.113 50 0 GEAALO CCOC(=O)N1CCN(c2[nH+]cnc3c2cnn3-c2ccc(OC)cc2)CC1 ZINC000001254390 206370290 /nfs/dbraw/zinc/37/02/90/206370290.db2.gz JRYBFEGKVUDFPO-UHFFFAOYSA-N 1 2 382.424 2.103 50 0 aggregator GEAALO Cc1nn(C)cc1S(=O)(=O)N1CCN(c2cc(C)c3ccccc3[nH+]2)CC1 ZINC000012446583 206900024 /nfs/dbraw/zinc/90/00/24/206900024.db2.gz DYUXXAIHHBWRNQ-UHFFFAOYSA-N 1 2 385.493 2.096 50 0 GEAALO C[C@@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCC(NS(=O)(=O)c2ccccc2)CC1 ZINC000014086142 207009591 /nfs/dbraw/zinc/00/95/91/207009591.db2.gz DETFNWWBHRTHKP-APWZRJJASA-N 1 2 393.553 2.124 50 0 GEAALO COc1ccc(C[N@@H+]2CCNC(=O)[C@@H]2CC(=O)NCc2ccc(F)cc2)cc1C ZINC000014956523 207032091 /nfs/dbraw/zinc/03/20/91/207032091.db2.gz NURAFGHXJCROLH-IBGZPJMESA-N 1 2 399.466 2.150 50 0 GEAALO COc1ccc(C[N@H+]2CCNC(=O)[C@@H]2CC(=O)NCc2ccc(F)cc2)cc1C ZINC000014956523 207032094 /nfs/dbraw/zinc/03/20/94/207032094.db2.gz NURAFGHXJCROLH-IBGZPJMESA-N 1 2 399.466 2.150 50 0 GEAALO COc1ccc(C[N@@H+]2CCNC(=O)[C@@H]2CC(=O)NC2CCCCC2)c(C)c1C ZINC000014949959 207033581 /nfs/dbraw/zinc/03/35/81/207033581.db2.gz SOEASYLXIUIJMJ-IBGZPJMESA-N 1 2 387.524 2.451 50 0 GEAALO COc1ccc(C[N@H+]2CCNC(=O)[C@@H]2CC(=O)NC2CCCCC2)c(C)c1C ZINC000014949959 207033585 /nfs/dbraw/zinc/03/35/85/207033585.db2.gz SOEASYLXIUIJMJ-IBGZPJMESA-N 1 2 387.524 2.451 50 0 GEAALO COc1ccc(CNC(=O)C[C@@H]2C(=O)NCC[N@H+]2Cc2ccccc2C)cc1 ZINC000015074662 207045756 /nfs/dbraw/zinc/04/57/56/207045756.db2.gz VLNCLHVOBIBQQL-HXUWFJFHSA-N 1 2 381.476 2.011 50 0 GEAALO COc1ccc(CNC(=O)C[C@@H]2C(=O)NCC[N@@H+]2Cc2ccccc2C)cc1 ZINC000015074662 207045758 /nfs/dbraw/zinc/04/57/58/207045758.db2.gz VLNCLHVOBIBQQL-HXUWFJFHSA-N 1 2 381.476 2.011 50 0 GEAALO COc1ccccc1N1CCN(c2[nH+]cccc2CNC(=O)[C@H]2CCCO2)CC1 ZINC000015075305 207046134 /nfs/dbraw/zinc/04/61/34/207046134.db2.gz SNCXADXGOIDSHA-HXUWFJFHSA-N 1 2 396.491 2.212 50 0 GEAALO COc1ccccc1C(=O)NCC(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000015940389 207069484 /nfs/dbraw/zinc/06/94/84/207069484.db2.gz CPPINFAXTJOCRY-OAHLLOKOSA-N 1 2 378.432 2.488 50 0 GEAALO O=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)N1CCN(c2cccc[nH+]2)CC1 ZINC000016638329 207075286 /nfs/dbraw/zinc/07/52/86/207075286.db2.gz HZOBYYGTSYPFTB-UHFFFAOYSA-N 1 2 396.535 2.453 50 0 GEAALO CC[NH+]1CCN(c2ccc(S(=O)(=O)Cc3ccc(Cl)cc3)nn2)CC1 ZINC000016843694 207080103 /nfs/dbraw/zinc/08/01/03/207080103.db2.gz RPYPNOFAQWMZRJ-UHFFFAOYSA-N 1 2 380.901 2.246 50 0 GEAALO CC1CCC2(CC1)NC(=O)N(C[NH+]1CCC(c3nnc4ccccn43)CC1)C2=O ZINC000016873617 207080197 /nfs/dbraw/zinc/08/01/97/207080197.db2.gz MWISCLFPFNSVCD-UHFFFAOYSA-N 1 2 396.495 2.367 50 0 GEAALO COc1cccc(N2CC[NH+]([C@H]3CC(=O)N(c4cccc(C)c4)C3=O)CC2)c1 ZINC000018249976 207097265 /nfs/dbraw/zinc/09/72/65/207097265.db2.gz SZMHPDJSHUWISB-FQEVSTJZSA-N 1 2 379.460 2.458 50 0 GEAALO CCOc1cccc(N2C(=O)C[C@H]([NH+]3CCN(c4ccc(O)cc4)CC3)C2=O)c1 ZINC000018286380 207097682 /nfs/dbraw/zinc/09/76/82/207097682.db2.gz QFRGJQMQTFWRDK-FQEVSTJZSA-N 1 2 395.459 2.245 50 0 GEAALO CCCOc1ccc(N2C(=O)C[C@H]([NH+]3CCN(c4ccccn4)CC3)C2=O)cc1 ZINC000018276309 207097744 /nfs/dbraw/zinc/09/77/44/207097744.db2.gz ADYXELHEIIOOPY-IBGZPJMESA-N 1 2 394.475 2.325 50 0 GEAALO CCOc1ccc(N2C(=O)C[C@@H]([NH+]3CCN(c4ccccc4O)CC3)C2=O)cc1 ZINC000019533473 207131069 /nfs/dbraw/zinc/13/10/69/207131069.db2.gz FLFXMSNPNWWFEC-LJQANCHMSA-N 1 2 395.459 2.245 50 0 GEAALO CCOC(=O)N1CC[NH+]([C@@H]2CCCN(Cc3c(C)nc4sccn34)C2)CC1 ZINC000019639024 207143514 /nfs/dbraw/zinc/14/35/14/207143514.db2.gz AXTRYXSXSQUXII-MRXNPFEDSA-N 1 2 391.541 2.443 50 0 GEAALO O=C(NCCc1nnc2n1CC[N@@H+](Cc1c(F)cccc1F)CC2)C1CCC1 ZINC000019739762 207157643 /nfs/dbraw/zinc/15/76/43/207157643.db2.gz RYICNBFXFPJTFU-UHFFFAOYSA-N 1 2 389.450 2.073 50 0 GEAALO O=C(NCCc1nnc2n1CC[N@H+](Cc1c(F)cccc1F)CC2)C1CCC1 ZINC000019739762 207157646 /nfs/dbraw/zinc/15/76/46/207157646.db2.gz RYICNBFXFPJTFU-UHFFFAOYSA-N 1 2 389.450 2.073 50 0 GEAALO COc1ccccc1N1CCN(C(=O)c2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000019850437 207166221 /nfs/dbraw/zinc/16/62/21/207166221.db2.gz IAHSTZNKVYXBKK-UHFFFAOYSA-N 1 2 395.503 2.490 50 0 GEAALO COC(=O)c1cc(C)sc1NC(=O)CN1CC[NH+](Cc2ccco2)CC1 ZINC000020344856 207188014 /nfs/dbraw/zinc/18/80/14/207188014.db2.gz MOJDXBNAXZHDFH-UHFFFAOYSA-N 1 2 377.466 2.192 50 0 GEAALO CCOCC(=O)N1CCC[C@@H]1c1ccc(C(=O)NCCc2c[nH+]c[nH]2)s1 ZINC000020449942 207192949 /nfs/dbraw/zinc/19/29/49/207192949.db2.gz PMMCZLVVIKWZPT-CQSZACIVSA-N 1 2 376.482 2.144 50 0 GEAALO CCOCC(=O)N1CCC[C@@H]1c1ccc(C(=O)NCCc2c[nH]c[nH+]2)s1 ZINC000020449942 207192952 /nfs/dbraw/zinc/19/29/52/207192952.db2.gz PMMCZLVVIKWZPT-CQSZACIVSA-N 1 2 376.482 2.144 50 0 GEAALO O=c1[nH]c(=O)n(Cc2ccccc2)c2c1C[N@@H+](CCCc1ccccc1)CN2 ZINC000020522048 207200392 /nfs/dbraw/zinc/20/03/92/207200392.db2.gz MJUSFYARNRIXAA-UHFFFAOYSA-N 1 2 376.460 2.403 50 0 GEAALO O=c1[nH]c(=O)n(Cc2ccccc2)c2c1C[N@H+](CCCc1ccccc1)CN2 ZINC000020522048 207200396 /nfs/dbraw/zinc/20/03/96/207200396.db2.gz MJUSFYARNRIXAA-UHFFFAOYSA-N 1 2 376.460 2.403 50 0 GEAALO O=c1oc2cc(OCC[NH+]3CCN(CCO)CC3)ccc2cc1-c1ccccc1 ZINC000020591909 207205296 /nfs/dbraw/zinc/20/52/96/207205296.db2.gz REXSEIWCEQRXCL-UHFFFAOYSA-N 1 2 394.471 2.449 50 0 GEAALO O=C(CCC(=O)N1CCC(c2ccccc2)=N1)NCCc1cn2ccccc2[nH+]1 ZINC000021135906 207226865 /nfs/dbraw/zinc/22/68/65/207226865.db2.gz DYVMYAXZSBCQLM-UHFFFAOYSA-N 1 2 389.459 2.410 50 0 GEAALO O=C(CCc1nc2ccccc2c(=O)[nH]1)N1CC[NH+](Cc2cccs2)CC1 ZINC000021673249 207235297 /nfs/dbraw/zinc/23/52/97/207235297.db2.gz WBJOGGKJLPSTPA-UHFFFAOYSA-N 1 2 382.489 2.262 50 0 GEAALO CC[NH+]1CCN(C(=O)[C@@H](C)Sc2nnc(-c3cccc(OC)c3)n2C)CC1 ZINC000022137497 207248931 /nfs/dbraw/zinc/24/89/31/207248931.db2.gz YALRCSATUKWTNJ-CQSZACIVSA-N 1 2 389.525 2.135 50 0 GEAALO Cn1cc[nH+]c1[C@H](NC(=O)COC(=O)c1ccc(F)cc1N)c1ccccc1 ZINC000022202519 207250065 /nfs/dbraw/zinc/25/00/65/207250065.db2.gz HHHXQBVTUNGMJV-GOSISDBHSA-N 1 2 382.395 2.204 50 0 GEAALO C[C@H](C(=O)NCc1ccccc1)[NH+]1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000022913134 207263895 /nfs/dbraw/zinc/26/38/95/207263895.db2.gz REFKLYSWIGYBQL-QGZVFWFLSA-N 1 2 398.482 2.087 50 0 GEAALO Cc1cccc(NC(=O)CN2CC[NH+](CC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)c1 ZINC000022929470 207264331 /nfs/dbraw/zinc/26/43/31/207264331.db2.gz SGGGZNAPLIATQW-RTBURBONSA-N 1 2 386.540 2.056 50 0 GEAALO C[C@H](c1nc2ccccc2c(=O)[nH]1)N1CC[NH+](CC(=O)N2CCCCCC2)CC1 ZINC000022800313 207260471 /nfs/dbraw/zinc/26/04/71/207260471.db2.gz FDCDPQQBURFWJF-QGZVFWFLSA-N 1 2 397.523 2.004 50 0 GEAALO Cc1csc2nc(CN3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)cc(=O)n12 ZINC000022806599 207261458 /nfs/dbraw/zinc/26/14/58/207261458.db2.gz DASZZCZVYSWTFI-UHFFFAOYSA-N 1 2 398.488 2.111 50 0 GEAALO COc1ccc(C[NH+]2CCN(CC(=O)N3CCc4ccccc43)CC2)cc1OC ZINC000022784830 207262076 /nfs/dbraw/zinc/26/20/76/207262076.db2.gz YMUWOQFOSFVTRF-UHFFFAOYSA-N 1 2 395.503 2.411 50 0 GEAALO O=C(Cn1cccc(C(F)(F)F)c1=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000023101676 207269118 /nfs/dbraw/zinc/26/91/18/207269118.db2.gz MGFHVEWOEMLQPS-UHFFFAOYSA-N 1 2 380.370 2.179 50 0 GEAALO C[C@H](C(=O)Nc1c(Cl)cccc1Cl)N1CC[NH+](CC(=O)NC2CC2)CC1 ZINC000023248890 207271642 /nfs/dbraw/zinc/27/16/42/207271642.db2.gz STYMNJHVUNECST-GFCCVEGCSA-N 1 2 399.322 2.217 50 0 GEAALO C[C@@H](C(=O)Nc1ccccc1)N1CC[NH+](CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000023370949 207274995 /nfs/dbraw/zinc/27/49/95/207274995.db2.gz ZTPDAUIPLYYBIG-QRVBRYPASA-N 1 2 386.540 2.136 50 0 GEAALO C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(CC(=O)Nc2ccccc2Cl)CC1 ZINC000022929711 207265134 /nfs/dbraw/zinc/26/51/34/207265134.db2.gz IEYVUBCRHUXWTA-MRXNPFEDSA-N 1 2 392.931 2.297 50 0 GEAALO O=C(CN1c2ccccc2OCCC1=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000023736857 207283170 /nfs/dbraw/zinc/28/31/70/207283170.db2.gz BPHWFKOPCNPJII-UHFFFAOYSA-N 1 2 385.489 2.208 50 0 GEAALO O=S(=O)(NCc1ccccc1C[NH+]1CCOCC1)c1cc(F)ccc1F ZINC000024193326 207289209 /nfs/dbraw/zinc/28/92/09/207289209.db2.gz JEXOFZIRDNEEII-UHFFFAOYSA-N 1 2 382.432 2.276 50 0 GEAALO COc1ccc(C)cc1C[NH+]1CCN(C(=O)C2CCN(C(=O)C3CC3)CC2)CC1 ZINC000024291868 207290652 /nfs/dbraw/zinc/29/06/52/207290652.db2.gz LWKZLCKFNCVSPU-UHFFFAOYSA-N 1 2 399.535 2.296 50 0 GEAALO CCN(CC(=O)Nc1cccc(OC)c1)C(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000025087409 207300563 /nfs/dbraw/zinc/30/05/63/207300563.db2.gz HWYGGXJJZKSUFO-UHFFFAOYSA-N 1 2 379.420 2.377 50 0 GEAALO C[C@H](C(=O)Nc1ccc(Cl)cc1)N1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC000027376702 207323593 /nfs/dbraw/zinc/32/35/93/207323593.db2.gz SBJZWTMZEPTYFO-MRXNPFEDSA-N 1 2 392.931 2.297 50 0 GEAALO Cn1nnnc1SCC(=O)NCC1CCC(c2[nH+]c3ccccc3n2C)CC1 ZINC000038671709 207314838 /nfs/dbraw/zinc/31/48/38/207314838.db2.gz GEDLBQFONAAYHE-UHFFFAOYSA-N 1 2 399.524 2.279 50 0 GEAALO COc1ccc(OC)c(NC(=O)C[N@H+](Cc2ccc(C(N)=O)cc2)C2CC2)c1 ZINC000027907378 207331791 /nfs/dbraw/zinc/33/17/91/207331791.db2.gz NXCMWLJNAQDYKY-UHFFFAOYSA-N 1 2 383.448 2.406 50 0 GEAALO COc1ccc(OC)c(NC(=O)C[N@@H+](Cc2ccc(C(N)=O)cc2)C2CC2)c1 ZINC000027907378 207331796 /nfs/dbraw/zinc/33/17/96/207331796.db2.gz NXCMWLJNAQDYKY-UHFFFAOYSA-N 1 2 383.448 2.406 50 0 GEAALO COc1ccc([C@H](CNS(=O)(=O)c2ncn(C)c2Cl)[NH+]2CCCC2)cc1 ZINC000027946817 207333993 /nfs/dbraw/zinc/33/39/93/207333993.db2.gz FXGHIRPHHTVDNZ-HNNXBMFYSA-N 1 2 398.916 2.198 50 0 GEAALO Cc1cnc2c(cccc2S(=O)(=O)NCc2ccc[nH+]c2N2CCOCC2)c1 ZINC000028042274 207334862 /nfs/dbraw/zinc/33/48/62/207334862.db2.gz HLXZANQHYZZHRR-UHFFFAOYSA-N 1 2 398.488 2.253 50 0 GEAALO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(Cc2nnc(-c3ccccc3Cl)o2)CC1 ZINC000040024836 207336282 /nfs/dbraw/zinc/33/62/82/207336282.db2.gz ZXQJQZAHDOAESI-ZDUSSCGKSA-N 1 2 389.887 2.175 50 0 GEAALO COc1ccccc1N1CCN(c2nc(NCCO)c3ccccc3[nH+]2)CC1 ZINC000029078361 207355599 /nfs/dbraw/zinc/35/55/99/207355599.db2.gz OYUNPXTWPUFKJA-UHFFFAOYSA-N 1 2 379.464 2.369 50 0 GEAALO COc1ccc(C(=O)CC[NH2+]c2ccc(-n3cnnn3)cc2OC)cc1OC ZINC000030947891 207378169 /nfs/dbraw/zinc/37/81/69/207378169.db2.gz RLANUNHZXJPSOP-UHFFFAOYSA-N 1 2 383.408 2.373 50 0 GEAALO CC[C@@H](C)S(=O)(=O)NCc1cccnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000067820448 207910652 /nfs/dbraw/zinc/91/06/52/207910652.db2.gz NHEZPXLHLZMIHO-MRXNPFEDSA-N 1 2 389.525 2.021 50 0 GEAALO CC(=O)N1CCc2c([nH+]c(N(C)C)nc2NCc2[nH]nc3c2CCCCC3)C1 ZINC000077457579 208047632 /nfs/dbraw/zinc/04/76/32/208047632.db2.gz JPZUJSWMPJCMLD-UHFFFAOYSA-N 1 2 383.500 2.051 50 0 GEAALO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)N(C[C@H]1CCCO1)C1CCCC1 ZINC000084335661 208088927 /nfs/dbraw/zinc/08/89/27/208088927.db2.gz LWTGLPYYKJULOF-LJQANCHMSA-N 1 2 391.516 2.171 50 0 GEAALO COCC(=O)NCc1cc2n(n1)CCC[N@H+](Cc1ccc(C)c(F)c1F)C2 ZINC000091526884 208123410 /nfs/dbraw/zinc/12/34/10/208123410.db2.gz UVHFDTAEBCQBFV-UHFFFAOYSA-N 1 2 378.423 2.138 50 0 GEAALO COCC(=O)NCc1cc2n(n1)CCC[N@@H+](Cc1ccc(C)c(F)c1F)C2 ZINC000091526884 208123416 /nfs/dbraw/zinc/12/34/16/208123416.db2.gz UVHFDTAEBCQBFV-UHFFFAOYSA-N 1 2 378.423 2.138 50 0 GEAALO CCc1[nH+]c(C)ccc1OCC(=O)N1C[C@@H](C(C)C)[C@H](NC(=O)N(C)C)C1 ZINC000091644998 208130338 /nfs/dbraw/zinc/13/03/38/208130338.db2.gz BJVLPZNZCFUFOB-DOTOQJQBSA-N 1 2 376.501 2.085 50 0 GEAALO CCC(=O)N1CCc2[nH]c[nH+]c2C12CCN(C(=O)C(C)(C)n1cccc1)CC2 ZINC000091706909 208132857 /nfs/dbraw/zinc/13/28/57/208132857.db2.gz FMHWQVAEXCBISQ-UHFFFAOYSA-N 1 2 383.496 2.259 50 0 GEAALO CC(=O)N1CCc2[nH]c[nH+]c2C12CCN(C(=O)CCOc1ccccc1)CC2 ZINC000091779991 208139739 /nfs/dbraw/zinc/13/97/39/208139739.db2.gz XHQBLVMCESDDDF-UHFFFAOYSA-N 1 2 382.464 2.101 50 0 GEAALO O=C(c1ccncc1)N1CCC2(CC1)c1[nH+]c[nH]c1CCN2C(=O)C1CCC1 ZINC000091707763 208134523 /nfs/dbraw/zinc/13/45/23/208134523.db2.gz SJLIPECLDGEANY-UHFFFAOYSA-N 1 2 379.464 2.121 50 0 GEAALO O=C(c1cnc(-c2cccnc2)[nH]c1=O)N1CCCC[C@H]1CCn1cc[nH+]c1 ZINC000091747071 208135797 /nfs/dbraw/zinc/13/57/97/208135797.db2.gz SZFLFPANPLHNBL-INIZCTEOSA-N 1 2 378.436 2.113 50 0 GEAALO O=C(c1ccccc1F)N1CCC2(CC1)c1[nH+]c[nH]c1CCN2C(=O)C1CC1 ZINC000091736867 208136547 /nfs/dbraw/zinc/13/65/47/208136547.db2.gz GKAYTKKJLDHGLH-UHFFFAOYSA-N 1 2 382.439 2.475 50 0 GEAALO Cc1nc(C(=O)N2CCC3(CCC(=O)N(CCc4c[nH+]c[nH]4)C3)CC2)cs1 ZINC000091830269 208137859 /nfs/dbraw/zinc/13/78/59/208137859.db2.gz XBZZGRZZSAQAEF-UHFFFAOYSA-N 1 2 387.509 2.262 50 0 GEAALO Cc1nc(C(=O)N2CCC3(CCC(=O)N(CCc4c[nH]c[nH+]4)C3)CC2)cs1 ZINC000091830269 208137868 /nfs/dbraw/zinc/13/78/68/208137868.db2.gz XBZZGRZZSAQAEF-UHFFFAOYSA-N 1 2 387.509 2.262 50 0 GEAALO C[C@@H](C(=O)N1CCCCCC1)[NH+]1CCN(CC(=O)Nc2cccc(F)c2)CC1 ZINC000089420137 208104467 /nfs/dbraw/zinc/10/44/67/208104467.db2.gz XYGBTEZLAQWKSH-KRWDZBQOSA-N 1 2 390.503 2.173 50 0 GEAALO CCc1nnc(C[N@@H+]2CCC[C@]3(CCC(=O)N(CCc4ccccn4)C3)C2)o1 ZINC000091326824 208114615 /nfs/dbraw/zinc/11/46/15/208114615.db2.gz QTQBQYNUHFETQA-NRFANRHFSA-N 1 2 383.496 2.474 50 0 GEAALO CCc1nnc(C[N@H+]2CCC[C@]3(CCC(=O)N(CCc4ccccn4)C3)C2)o1 ZINC000091326824 208114621 /nfs/dbraw/zinc/11/46/21/208114621.db2.gz QTQBQYNUHFETQA-NRFANRHFSA-N 1 2 383.496 2.474 50 0 GEAALO Cc1cc(NCc2nc(-c3cnccn3)n[nH]2)nc(Nc2cccc(O)c2)[nH+]1 ZINC000095355608 208159308 /nfs/dbraw/zinc/15/93/08/208159308.db2.gz QDZWWXJQLTTYGI-UHFFFAOYSA-N 1 2 375.396 2.421 50 0 GEAALO CCCN(Cc1[nH+]ccn1C)C(=O)c1ccc2c(c1)nc(N1CCOCC1)n2C ZINC000095362447 208162147 /nfs/dbraw/zinc/16/21/47/208162147.db2.gz DQHFIVSXNTYLTN-UHFFFAOYSA-N 1 2 396.495 2.196 50 0 GEAALO Cc1[nH+]c[nH]c1CNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](C)C2)c1 ZINC000095379881 208171596 /nfs/dbraw/zinc/17/15/96/208171596.db2.gz QDYURVCKHBKAJR-CYBMUJFWSA-N 1 2 376.482 2.069 50 0 GEAALO CN(Cc1ccccc1)C(=O)C[NH+]1CCN(CC(=O)Nc2cccc(F)c2)CC1 ZINC000095381670 208173064 /nfs/dbraw/zinc/17/30/64/208173064.db2.gz TTYRDGNIWFIFOR-UHFFFAOYSA-N 1 2 398.482 2.040 50 0 GEAALO CC(C)c1cc(C(=O)N2CCC[C@H](c3nnc(Cn4cc[nH+]c4)n3C)C2)on1 ZINC000095378833 208173185 /nfs/dbraw/zinc/17/31/85/208173185.db2.gz SFJBRYHWJSGSSS-AWEZNQCLSA-N 1 2 383.456 2.191 50 0 GEAALO Cn1c(Cn2cc[nH+]c2)nnc1[C@H]1CCCN(C(=O)c2c(F)cccc2F)C1 ZINC000095380436 208173392 /nfs/dbraw/zinc/17/33/92/208173392.db2.gz KSQRMTSSJCMVSA-ZDUSSCGKSA-N 1 2 386.406 2.358 50 0 GEAALO Cc1ncsc1C(=O)N1CCC2(CCC(=O)N(CCc3c[nH+]c[nH]3)C2)CC1 ZINC000091964732 208144594 /nfs/dbraw/zinc/14/45/94/208144594.db2.gz IGEDIVOPRVTZKV-UHFFFAOYSA-N 1 2 387.509 2.262 50 0 GEAALO Cc1ncsc1C(=O)N1CCC2(CCC(=O)N(CCc3c[nH]c[nH+]3)C2)CC1 ZINC000091964732 208144599 /nfs/dbraw/zinc/14/45/99/208144599.db2.gz IGEDIVOPRVTZKV-UHFFFAOYSA-N 1 2 387.509 2.262 50 0 GEAALO CCC(=O)N1CCc2[nH]c[nH+]c2C12CCN(C(=O)c1ccccc1N(C)C)CC2 ZINC000095507078 208206571 /nfs/dbraw/zinc/20/65/71/208206571.db2.gz SLRRFUAHEYCDFQ-UHFFFAOYSA-N 1 2 395.507 2.402 50 0 GEAALO NC(=O)Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2c(O)ccc3ccccc32)C1 ZINC000095506289 208207529 /nfs/dbraw/zinc/20/75/29/208207529.db2.gz UTGMCTPMSKKYLZ-OAHLLOKOSA-N 1 2 378.432 2.247 50 0 GEAALO CCc1nc(C[N@@H+]2CC[C@@]3(O)CCN(C(=O)N4CCCC4)C[C@H]3C2)cs1 ZINC000095386908 208176277 /nfs/dbraw/zinc/17/62/77/208176277.db2.gz HUSPGADHWNQKLU-DNVCBOLYSA-N 1 2 378.542 2.180 50 0 GEAALO CCc1nc(C[N@H+]2CC[C@@]3(O)CCN(C(=O)N4CCCC4)C[C@H]3C2)cs1 ZINC000095386908 208176283 /nfs/dbraw/zinc/17/62/83/208176283.db2.gz HUSPGADHWNQKLU-DNVCBOLYSA-N 1 2 378.542 2.180 50 0 GEAALO CCc1nc(C)sc1C[N@@H+]1CC[C@H]([NH+]2CCOCC2)[C@H](CCC(=O)[O-])C1 ZINC000095392089 208179382 /nfs/dbraw/zinc/17/93/82/208179382.db2.gz BOMIMADBFBXLKG-WBVHZDCISA-N 1 2 381.542 2.401 50 0 GEAALO CCc1nc(C)sc1C[N@H+]1CC[C@H]([NH+]2CCOCC2)[C@H](CCC(=O)[O-])C1 ZINC000095392089 208179388 /nfs/dbraw/zinc/17/93/88/208179388.db2.gz BOMIMADBFBXLKG-WBVHZDCISA-N 1 2 381.542 2.401 50 0 GEAALO CCOc1ccc(C(F)(F)F)cc1NC(=O)NCCC[N@@H+]1CCNC(=O)C1 ZINC000095498825 208198843 /nfs/dbraw/zinc/19/88/43/208198843.db2.gz NNNQYSOOFSOECZ-UHFFFAOYSA-N 1 2 388.390 2.048 50 0 GEAALO CCOc1ccc(C(F)(F)F)cc1NC(=O)NCCC[N@H+]1CCNC(=O)C1 ZINC000095498825 208198852 /nfs/dbraw/zinc/19/88/52/208198852.db2.gz NNNQYSOOFSOECZ-UHFFFAOYSA-N 1 2 388.390 2.048 50 0 GEAALO Cc1nc(C(=O)N2CCC[C@]3(CCC(=O)N(CCc4c[nH+]c[nH]4)C3)C2)cs1 ZINC000095497065 208199124 /nfs/dbraw/zinc/19/91/24/208199124.db2.gz QMPJIVHQNABYEE-LJQANCHMSA-N 1 2 387.509 2.262 50 0 GEAALO Cc1nc(C(=O)N2CCC[C@]3(CCC(=O)N(CCc4c[nH]c[nH+]4)C3)C2)cs1 ZINC000095497065 208199128 /nfs/dbraw/zinc/19/91/28/208199128.db2.gz QMPJIVHQNABYEE-LJQANCHMSA-N 1 2 387.509 2.262 50 0 GEAALO CC(C)n1cc[nH+]c1[C@@H]1CCCN(C(=O)c2sccc2S(N)(=O)=O)C1 ZINC000095498566 208199532 /nfs/dbraw/zinc/19/95/32/208199532.db2.gz MJTOENWAGGUMSF-GFCCVEGCSA-N 1 2 382.511 2.193 50 0 GEAALO CCn1cc[nH+]c1C1CCN(C(=O)CCc2nc3ccccc3[nH]c2=O)CC1 ZINC000095504301 208205474 /nfs/dbraw/zinc/20/54/74/208205474.db2.gz LAQCYMVMGSZZGK-UHFFFAOYSA-N 1 2 379.464 2.478 50 0 GEAALO CCn1ccc2cc(C(=O)N3CCC(c4[nH+]ccn4CC(N)=O)CC3)ccc21 ZINC000095512119 208213618 /nfs/dbraw/zinc/21/36/18/208213618.db2.gz XSGGJABQCWWACK-UHFFFAOYSA-N 1 2 379.464 2.363 50 0 GEAALO Cn1cc(CCC(=O)N2CCC[C@H](c3[nH+]ccn3Cc3ccncc3)C2)cn1 ZINC000095518635 208215748 /nfs/dbraw/zinc/21/57/48/208215748.db2.gz WATJIICARUBVGE-IBGZPJMESA-N 1 2 378.480 2.399 50 0 GEAALO CCn1cc[nH+]c1[C@@H]1CCCN(C(=O)Cn2nnc(-c3ccc(F)cc3)n2)C1 ZINC000095526969 208225967 /nfs/dbraw/zinc/22/59/67/208225967.db2.gz RORHWTSFLXGYFU-OAHLLOKOSA-N 1 2 383.431 2.102 50 0 GEAALO Cn1cc[nH+]c1CCNC(=O)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1 ZINC000095528349 208227342 /nfs/dbraw/zinc/22/73/42/208227342.db2.gz MAIQNSHZVHMHFS-UHFFFAOYSA-N 1 2 396.491 2.172 50 0 GEAALO CC(C)[N@@H+]1CCNC(=O)[C@@H]1Cc1nc(-c2ccccc2)nn1-c1ccccn1 ZINC000096153348 208275256 /nfs/dbraw/zinc/27/52/56/208275256.db2.gz XDPJKRMYKRQVNU-KRWDZBQOSA-N 1 2 376.464 2.081 50 0 GEAALO CC(C)[N@H+]1CCNC(=O)[C@@H]1Cc1nc(-c2ccccc2)nn1-c1ccccn1 ZINC000096153348 208275260 /nfs/dbraw/zinc/27/52/60/208275260.db2.gz XDPJKRMYKRQVNU-KRWDZBQOSA-N 1 2 376.464 2.081 50 0 GEAALO CCNC(=O)[C@@H]1C[C@H](NC(=O)c2ccsc2)C[N@@H+]1Cc1scnc1C ZINC000096149098 208276860 /nfs/dbraw/zinc/27/68/60/208276860.db2.gz FGPZHTHMLGWUEQ-KBPBESRZSA-N 1 2 378.523 2.022 50 0 GEAALO CCNC(=O)[C@@H]1C[C@H](NC(=O)c2ccsc2)C[N@H+]1Cc1scnc1C ZINC000096149098 208276866 /nfs/dbraw/zinc/27/68/66/208276866.db2.gz FGPZHTHMLGWUEQ-KBPBESRZSA-N 1 2 378.523 2.022 50 0 GEAALO CCn1c(C[NH+](C)C)nnc1C1CCN(C(=O)CCc2[nH]nc(C)c2C)CC1 ZINC000096135912 208268837 /nfs/dbraw/zinc/26/88/37/208268837.db2.gz SVAVGZDENOHORS-UHFFFAOYSA-N 1 2 387.532 2.038 50 0 GEAALO CCC(CC)NS(=O)(=O)c1cccc(S(=O)(=O)Nc2cc[nH+]cc2)c1 ZINC000097165301 208339696 /nfs/dbraw/zinc/33/96/96/208339696.db2.gz QYKLXWVBVUNQTI-UHFFFAOYSA-N 1 2 383.495 2.349 50 0 GEAALO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccc(CS(C)(=O)=O)o1 ZINC000097142625 208339832 /nfs/dbraw/zinc/33/98/32/208339832.db2.gz QQAXJQJSDKUCMC-PBHICJAKSA-N 1 2 376.478 2.075 50 0 GEAALO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccc(CS(C)(=O)=O)o1 ZINC000097142625 208339839 /nfs/dbraw/zinc/33/98/39/208339839.db2.gz QQAXJQJSDKUCMC-PBHICJAKSA-N 1 2 376.478 2.075 50 0 GEAALO O=C(NCC1CCC(c2[nH]c3ccccc3[nH+]2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000097775410 208361611 /nfs/dbraw/zinc/36/16/11/208361611.db2.gz ONGRTGGQOKMFBQ-NRXISQOPSA-N 1 2 375.494 2.388 50 0 GEAALO c1[nH]cc(CCn2nc(-c3ccccc3)nc2[C@H]2CCCCn3nnnc32)[nH+]1 ZINC000097819616 208363689 /nfs/dbraw/zinc/36/36/89/208363689.db2.gz IBBJTHIFMFLXHU-MRXNPFEDSA-N 1 2 375.440 2.213 50 0 GEAALO c1[nH]c(CCn2nc(-c3ccccc3)nc2[C@H]2CCCCn3nnnc32)c[nH+]1 ZINC000097819616 208363697 /nfs/dbraw/zinc/36/36/97/208363697.db2.gz IBBJTHIFMFLXHU-MRXNPFEDSA-N 1 2 375.440 2.213 50 0 GEAALO Cn1cc[nH+]c1[C@H](NC(=O)CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)c1ccccc1 ZINC000101861240 208399130 /nfs/dbraw/zinc/39/91/30/208399130.db2.gz IFOOIYJJIZRSKX-ZIFCJYIRSA-N 1 2 394.475 2.191 50 0 GEAALO CCOc1ccc(NC(=O)CSc2nnc(N3CC[NH+](C)CC3)s2)cc1 ZINC000023139770 208864909 /nfs/dbraw/zinc/86/49/09/208864909.db2.gz RFHXCTJEBNHHFV-UHFFFAOYSA-N 1 2 393.538 2.419 50 0 GEAALO CC[C@@H]1C[C@@H](C(=O)N2CC[NH+]([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)CCO1 ZINC000239653769 209017810 /nfs/dbraw/zinc/01/78/10/209017810.db2.gz BLHIDBVJJPYBQS-OKZBNKHCSA-N 1 2 395.544 2.345 50 0 GEAALO Cc1noc(C)c1S(=O)(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000012853433 221238452 /nfs/dbraw/zinc/23/84/52/221238452.db2.gz BLTCPEPZYRKGFB-UHFFFAOYSA-N 1 2 379.486 2.024 50 0 GEAALO CCOC(=O)[C@H]1CCCCN1C(=O)C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000039987697 132392326 /nfs/dbraw/zinc/39/23/26/132392326.db2.gz PRVMTMKQPXBFMT-GOSISDBHSA-N 1 2 393.915 2.406 50 0 GEAALO C[S@](=O)Cc1cccc(C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000040087025 132394592 /nfs/dbraw/zinc/39/45/92/132394592.db2.gz FUJLFVSCYGOAOR-HHHXNRCGSA-N 1 2 385.533 2.117 50 0 GEAALO C[S@@](=O)Cc1cccc(C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000040087024 132394662 /nfs/dbraw/zinc/39/46/62/132394662.db2.gz FUJLFVSCYGOAOR-MHZLTWQESA-N 1 2 385.533 2.117 50 0 GEAALO NC(=O)c1ccccc1NC(=O)C1CCN(c2cc(N3CCCC3)[nH+]cn2)CC1 ZINC000065237000 136160830 /nfs/dbraw/zinc/16/08/30/136160830.db2.gz OZRIZWOZMPUSJY-UHFFFAOYSA-N 1 2 394.479 2.031 50 0 GEAALO NC(=O)c1ccccc1NC(=O)C1CCN(c2cc(N3CCCC3)nc[nH+]2)CC1 ZINC000065237000 136160831 /nfs/dbraw/zinc/16/08/31/136160831.db2.gz OZRIZWOZMPUSJY-UHFFFAOYSA-N 1 2 394.479 2.031 50 0 GEAALO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(c2cc(=O)[nH]nc2-c2ccccc2)CC1 ZINC000065380315 136163718 /nfs/dbraw/zinc/16/37/18/136163718.db2.gz XBDXAIUDAFUYJX-MRXNPFEDSA-N 1 2 395.507 2.006 50 0 GEAALO Cc1cc(C)n2nc3c(c2n1)[C@H](c1ccc[nH+]c1N1CCOCC1)CC(=O)N3 ZINC000065406599 136163864 /nfs/dbraw/zinc/16/38/64/136163864.db2.gz SEBLRZTUJILAMB-HNNXBMFYSA-N 1 2 378.436 2.052 50 0 GEAALO O=C(C1CCN(c2ccc(Cl)nn2)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000071285871 136165554 /nfs/dbraw/zinc/16/55/54/136165554.db2.gz ALQDQQCOWMEWRY-UHFFFAOYSA-N 1 2 386.887 2.090 50 0 GEAALO CN(C)c1nc(N2CCOCC2)[nH+]cc1NC(=O)Nc1ccc(F)cc1F ZINC000096121425 136183809 /nfs/dbraw/zinc/18/38/09/136183809.db2.gz GSVPIIKBDUFGIR-UHFFFAOYSA-N 1 2 378.383 2.301 50 0 GEAALO CCN(CC)c1ncc2c(n1)CC[C@H](C(=O)N1CCN(c3cccc[nH+]3)CC1)C2 ZINC000096310480 136186308 /nfs/dbraw/zinc/18/63/08/136186308.db2.gz VDBISGBAFURSRY-KRWDZBQOSA-N 1 2 394.523 2.172 50 0 GEAALO O=C1C[C@@H]([NH+]2CCN(c3ccccc3O)CC2)C(=O)N1Cc1ccc(Cl)cc1 ZINC000100199348 136188985 /nfs/dbraw/zinc/18/89/85/136188985.db2.gz JZROZEMTKORMFS-GOSISDBHSA-N 1 2 399.878 2.495 50 0 GEAALO O=S(=O)(Cc1ccc(F)cc1)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000011900708 136199817 /nfs/dbraw/zinc/19/98/17/136199817.db2.gz ZPDRBNPTAPLTRG-UHFFFAOYSA-N 1 2 395.475 2.206 50 0 GEAALO OC[C@@H](O)c1cc2n(n1)CC[N@@H+](C1CCN(c3ccccc3Cl)CC1)C2 ZINC000219933319 136204548 /nfs/dbraw/zinc/20/45/48/136204548.db2.gz WCFATXSWJMYFQH-LJQANCHMSA-N 1 2 376.888 2.047 50 0 GEAALO OC[C@@H](O)c1cc2n(n1)CC[N@H+](C1CCN(c3ccccc3Cl)CC1)C2 ZINC000219933319 136204549 /nfs/dbraw/zinc/20/45/49/136204549.db2.gz WCFATXSWJMYFQH-LJQANCHMSA-N 1 2 376.888 2.047 50 0 GEAALO C[C@@H](NC(=O)C1([NH+]2CCOCC2)CCCCC1)c1nc(-c2ccncc2)no1 ZINC000299774043 209086963 /nfs/dbraw/zinc/08/69/63/209086963.db2.gz FEQRZHXLBZMSTH-OAHLLOKOSA-N 1 2 385.468 2.344 50 0 GEAALO O=C(C[N@H+]1CCC[C@H]1c1cccc(Br)c1)NCC(=O)N1CCCC1 ZINC000053280356 222009644 /nfs/dbraw/zinc/00/96/44/222009644.db2.gz MHGFIXJXLXDSRW-INIZCTEOSA-N 1 2 394.313 2.325 50 0 GEAALO O=C(C[N@@H+]1CCC[C@H]1c1cccc(Br)c1)NCC(=O)N1CCCC1 ZINC000053280356 222009648 /nfs/dbraw/zinc/00/96/48/222009648.db2.gz MHGFIXJXLXDSRW-INIZCTEOSA-N 1 2 394.313 2.325 50 0 GEAALO CCn1c2cc(C)c(C)cc2nc(C(=O)N2CCN(c3cccc[nH+]3)CC2)c1=O ZINC000033269572 523257241 /nfs/dbraw/zinc/25/72/41/523257241.db2.gz GUBGLAQSNBJZCD-UHFFFAOYSA-N 1 2 391.475 2.391 50 0 GEAALO CCc1c(C)[nH+]c(C)nc1N1CC[C@H]([NH+]2CCOCC2)[C@H](CCC(=O)[O-])C1 ZINC000091410169 536070159 /nfs/dbraw/zinc/07/01/59/536070159.db2.gz GIWHEQSTERSOGM-AEFFLSMTSA-N 1 2 376.501 2.048 50 0 GEAALO COc1ccccc1N1CC[NH+]([C@@H]2CCCN(C(=O)c3ncccc3O)C2)CC1 ZINC000072163587 537069144 /nfs/dbraw/zinc/06/91/44/537069144.db2.gz LVLWFCRGTBSYHU-QGZVFWFLSA-N 1 2 396.491 2.223 50 0 GEAALO CCn1c2ccccc2n(CC(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2)c1=O ZINC000048253031 570227168 /nfs/dbraw/zinc/22/71/68/570227168.db2.gz SPUDRZXGSXSQSY-FQEVSTJZSA-N 1 2 389.459 2.462 50 0 GEAALO CSc1nnnn1-c1cccc(NC(=O)NCCCNc2cccc[nH+]2)c1 ZINC000048344999 570240751 /nfs/dbraw/zinc/24/07/51/570240751.db2.gz YSDDKYHRUUOPGL-UHFFFAOYSA-N 1 2 384.469 2.403 50 0 GEAALO COC(=O)c1c(C)[nH]c(C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)c1C ZINC000048355950 570244557 /nfs/dbraw/zinc/24/45/57/570244557.db2.gz BQUZKLULBWIUQA-UHFFFAOYSA-N 1 2 384.480 2.418 50 0 GEAALO O=C(NCCCn1cc[nH+]c1)[C@H]1CCC(=O)N1Cc1ccc(OC(F)F)cc1 ZINC000223418849 570245290 /nfs/dbraw/zinc/24/52/90/570245290.db2.gz WSHSYYRTUDQWDW-MRXNPFEDSA-N 1 2 392.406 2.182 50 0 GEAALO O=C(NCCCn1cc[nH+]c1)/C(=C\c1cccnc1)NC(=O)c1ccccc1F ZINC000001820454 570269060 /nfs/dbraw/zinc/26/90/60/570269060.db2.gz CMVHMMYYOUBPJG-CPNJWEJPSA-N 1 2 393.422 2.395 50 0 GEAALO Cc1cccc(NC(=O)[C@@H]2CC(=O)NC(N3CCN(c4ccccc4)CC3)=[NH+]2)c1 ZINC000002226217 570279748 /nfs/dbraw/zinc/27/97/48/570279748.db2.gz GFALDNRODODCAF-IBGZPJMESA-N 1 2 391.475 2.000 50 0 GEAALO CCN1C[C@]2(CCCN(C(=O)CC3=CSC4=[NH+]CCCN34)C2)CCC1=O ZINC000102426839 570289013 /nfs/dbraw/zinc/28/90/13/570289013.db2.gz OSXOCUSJKMIZSX-IBGZPJMESA-N 1 2 376.526 2.278 50 0 GEAALO O=C(NCC1=CSC2=[NH+]CCN12)[C@H]1CCC(=O)N(CC2CCCCC2)C1 ZINC000102793479 570292462 /nfs/dbraw/zinc/29/24/62/570292462.db2.gz GEZRELRSLLEZJA-HNNXBMFYSA-N 1 2 376.526 2.181 50 0 GEAALO COCCN(C[C@@H]1C[N@H+](Cc2ccco2)CCO1)C(=O)c1ccc(F)cc1 ZINC000034667133 570292570 /nfs/dbraw/zinc/29/25/70/570292570.db2.gz AECGHXYIIOIVKT-IBGZPJMESA-N 1 2 376.428 2.408 50 0 GEAALO COCCN(C[C@@H]1C[N@@H+](Cc2ccco2)CCO1)C(=O)c1ccc(F)cc1 ZINC000034667133 570292571 /nfs/dbraw/zinc/29/25/71/570292571.db2.gz AECGHXYIIOIVKT-IBGZPJMESA-N 1 2 376.428 2.408 50 0 GEAALO CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)Cn2cc[nH+]c2)cc1 ZINC000010809787 570301132 /nfs/dbraw/zinc/30/11/32/570301132.db2.gz AUERPTZKBHKSGO-UHFFFAOYSA-N 1 2 376.482 2.475 50 0 GEAALO COc1ccc(S(=O)(=O)N2CC[NH+](Cn3cnc4ccccc43)CC2)cc1 ZINC000023383085 570359770 /nfs/dbraw/zinc/35/97/70/570359770.db2.gz KVKLNGWWIQZONQ-UHFFFAOYSA-N 1 2 386.477 2.009 50 0 GEAALO C[C@H](C(=O)NCCCn1cc[nH+]c1)N1c2cccc3cccc(c23)S1(=O)=O ZINC000004912594 570365168 /nfs/dbraw/zinc/36/51/68/570365168.db2.gz XWHJZGRARCRLPD-CQSZACIVSA-N 1 2 384.461 2.140 50 0 GEAALO Cc1ccc(Cn2c(C[N@H+]3CCC[C@H](C)C3)nc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000004930205 570371946 /nfs/dbraw/zinc/37/19/46/570371946.db2.gz BGXMKEJLRDITFI-INIZCTEOSA-N 1 2 395.507 2.022 50 0 GEAALO Cc1ccc(Cn2c(C[N@@H+]3CCC[C@H](C)C3)nc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000004930205 570371947 /nfs/dbraw/zinc/37/19/47/570371947.db2.gz BGXMKEJLRDITFI-INIZCTEOSA-N 1 2 395.507 2.022 50 0 GEAALO Cc1ccc(-c2nn(C)c(=O)c3ccccc32)cc1CNC(=O)Cn1cc[nH+]c1 ZINC000005053930 570408792 /nfs/dbraw/zinc/40/87/92/570408792.db2.gz SSLDDXQHOIJBSQ-UHFFFAOYSA-N 1 2 387.443 2.422 50 0 GEAALO CC[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)[C@@H]3CC=CCC3)cc2)CC1 ZINC000013012413 570417781 /nfs/dbraw/zinc/41/77/81/570417781.db2.gz GNSSQJWDVLALLP-MRXNPFEDSA-N 1 2 377.510 2.308 50 0 GEAALO Cc1ccc(OCC[N@H+]2CCn3nc([C@@H](O)c4ccnn4C)cc3C2)cc1C ZINC000222839320 570428472 /nfs/dbraw/zinc/42/84/72/570428472.db2.gz NVIZKNCVVGLKFQ-OAQYLSRUSA-N 1 2 381.480 2.210 50 0 GEAALO Cc1ccc(OCC[N@@H+]2CCn3nc([C@@H](O)c4ccnn4C)cc3C2)cc1C ZINC000222839320 570428473 /nfs/dbraw/zinc/42/84/73/570428473.db2.gz NVIZKNCVVGLKFQ-OAQYLSRUSA-N 1 2 381.480 2.210 50 0 GEAALO CCCOc1ccc(N2C(=O)C[C@@H]([NH+]3CCN(c4ccccn4)CC3)C2=O)cc1 ZINC000005853280 570459308 /nfs/dbraw/zinc/45/93/08/570459308.db2.gz ADYXELHEIIOOPY-LJQANCHMSA-N 1 2 394.475 2.325 50 0 GEAALO CS(=O)(=O)NCC[N@H+](Cc1cccc(C(=O)Nc2ccccc2)c1)C1CC1 ZINC000252500437 570476766 /nfs/dbraw/zinc/47/67/66/570476766.db2.gz SVRJAJAXGKXXPM-UHFFFAOYSA-N 1 2 387.505 2.453 50 0 GEAALO CS(=O)(=O)NCC[N@@H+](Cc1cccc(C(=O)Nc2ccccc2)c1)C1CC1 ZINC000252500437 570476768 /nfs/dbraw/zinc/47/67/68/570476768.db2.gz SVRJAJAXGKXXPM-UHFFFAOYSA-N 1 2 387.505 2.453 50 0 GEAALO Cc1ccc2c(C[NH+]3CCN(c4ccnc(N(C)C)n4)CC3)cc(=O)oc2c1 ZINC000072292473 570493469 /nfs/dbraw/zinc/49/34/69/570493469.db2.gz GHNJTEZJFCBUEK-UHFFFAOYSA-N 1 2 379.464 2.280 50 0 GEAALO CN(C[C@H](O)COc1ccc(C(F)(F)F)cc1)c1[nH+]cnc2c1cnn2C ZINC000054389171 570503252 /nfs/dbraw/zinc/50/32/52/570503252.db2.gz IGSOAJXHSUCQJZ-LBPRGKRZSA-N 1 2 381.358 2.258 50 0 GEAALO COc1ccc2c(C)c(CC(=O)NCCCn3cc[nH+]c3)c(=O)oc2c1OC ZINC000005208977 570506962 /nfs/dbraw/zinc/50/69/62/570506962.db2.gz DDKXFAMHIZJKCG-UHFFFAOYSA-N 1 2 385.420 2.064 50 0 GEAALO CNS(=O)(=O)c1cccc(C(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000005267777 570534253 /nfs/dbraw/zinc/53/42/53/570534253.db2.gz GMPAUNIFEDBCIJ-CQSZACIVSA-N 1 2 384.461 2.271 50 0 GEAALO C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3Oc4ccccc4O[C@H]3C)c[nH+]2)CCO1 ZINC000206246000 570535730 /nfs/dbraw/zinc/53/57/30/570535730.db2.gz JKOYUJCDAJKQPJ-QEEYODRMSA-N 1 2 383.448 2.151 50 0 GEAALO COc1cccc([C@H](NC(=O)[C@@H]2COc3ccccc3O2)c2[nH+]ccn2C)c1 ZINC000008746429 570540304 /nfs/dbraw/zinc/54/03/04/570540304.db2.gz DFTKPMDLOQOESN-OALUTQOASA-N 1 2 379.416 2.474 50 0 GEAALO O=c1[nH]c(N2CC[NH+](Cc3ccccc3)CC2)nc(O)c1Cc1ccccc1 ZINC000009108732 570549544 /nfs/dbraw/zinc/54/95/44/570549544.db2.gz VJWDFYHLSQFQQB-UHFFFAOYSA-N 1 2 376.460 2.389 50 0 GEAALO COc1ccc(S(=O)(=O)N2CC[NH+](CCc3ccccc3)CC2)c(OC)c1 ZINC000035802752 570558108 /nfs/dbraw/zinc/55/81/08/570558108.db2.gz IKQRUNJCNLAWLM-UHFFFAOYSA-N 1 2 390.505 2.253 50 0 GEAALO CC[N@H+](CCCNC(=O)c1c(O)nc2cc(C)ccn2c1=O)c1ccccc1 ZINC000009830186 570561487 /nfs/dbraw/zinc/56/14/87/570561487.db2.gz WWPUBQAYOVKRNN-UHFFFAOYSA-N 1 2 380.448 2.355 50 0 GEAALO CC[N@@H+](CCCNC(=O)c1c(O)nc2cc(C)ccn2c1=O)c1ccccc1 ZINC000009830186 570561494 /nfs/dbraw/zinc/56/14/94/570561494.db2.gz WWPUBQAYOVKRNN-UHFFFAOYSA-N 1 2 380.448 2.355 50 0 GEAALO O=C(Cc1c[nH]c2ccccc12)N1CCN(c2cc(-n3cc[nH+]c3)ncn2)CC1 ZINC000036705834 570568132 /nfs/dbraw/zinc/56/81/32/570568132.db2.gz FTBNYUNAMXPTGW-UHFFFAOYSA-N 1 2 387.447 2.035 50 0 GEAALO COc1ccc(C(=O)NC2CC2)c(OC2CC[NH+](Cc3nccn3C)CC2)c1 ZINC000011663432 570577951 /nfs/dbraw/zinc/57/79/51/570577951.db2.gz SAHICPJPEYNMNU-UHFFFAOYSA-N 1 2 384.480 2.364 50 0 GEAALO O=C(CCCN1C(=O)CSc2ncccc21)N1CCN(c2cccc[nH+]2)CC1 ZINC000006802602 570604368 /nfs/dbraw/zinc/60/43/68/570604368.db2.gz IPYYDVKWWNLCAR-UHFFFAOYSA-N 1 2 397.504 2.044 50 0 GEAALO CCC[N@H+](CC(=O)Nc1ccc(C(N)=O)cc1)CC(=O)Nc1ccccc1C ZINC000003403489 570606854 /nfs/dbraw/zinc/60/68/54/570606854.db2.gz HRBOJGRWNSVKLG-UHFFFAOYSA-N 1 2 382.464 2.383 50 0 GEAALO CCC[N@@H+](CC(=O)Nc1ccc(C(N)=O)cc1)CC(=O)Nc1ccccc1C ZINC000003403489 570606856 /nfs/dbraw/zinc/60/68/56/570606856.db2.gz HRBOJGRWNSVKLG-UHFFFAOYSA-N 1 2 382.464 2.383 50 0 GEAALO CC(C)CNC(=O)COc1coc(C[NH+]2CCN(c3ccccc3)CC2)cc1=O ZINC000036366927 570645497 /nfs/dbraw/zinc/64/54/97/570645497.db2.gz QNFZJOUTKPNLFY-UHFFFAOYSA-N 1 2 399.491 2.113 50 0 GEAALO O=C(NCc1ccc(N2CCOCC2)[nH+]c1)c1cc(Br)ccc1O ZINC000011115592 570647184 /nfs/dbraw/zinc/64/71/84/570647184.db2.gz UMFMIBYZSJCGRN-UHFFFAOYSA-N 1 2 392.253 2.316 50 0 GEAALO Cc1cc(C(=O)NCc2cccnc2N2CCN(c3cccc[nH+]3)CC2)no1 ZINC000012437601 570662651 /nfs/dbraw/zinc/66/26/51/570662651.db2.gz VOSHHZQITAYDSV-UHFFFAOYSA-N 1 2 378.436 2.030 50 0 GEAALO COc1ccc([C@H](NC(=O)CCCNC(=O)c2ccco2)c2[nH+]ccn2C)cc1 ZINC000012627597 570691866 /nfs/dbraw/zinc/69/18/66/570691866.db2.gz KSRXTOWIJMEIJV-IBGZPJMESA-N 1 2 396.447 2.438 50 0 GEAALO CN(C)S(=O)(=O)c1ccccc1C[NH2+]Cc1csc(-c2ncccn2)n1 ZINC000057992848 570706023 /nfs/dbraw/zinc/70/60/23/570706023.db2.gz GEIWHPUSKOZENV-UHFFFAOYSA-N 1 2 389.506 2.140 50 0 GEAALO Cc1cc(C(=O)Nc2cccc(S(=O)(=O)N3CC[NH+](C)CC3)c2)c(C)o1 ZINC000058192239 570717828 /nfs/dbraw/zinc/71/78/28/570717828.db2.gz NYHMOLWBKJEBRU-UHFFFAOYSA-N 1 2 377.466 2.085 50 0 GEAALO O=S(=O)(NCc1ccccc1C[NH+]1CCOCC1)c1ccc(F)cc1F ZINC000012806307 570719011 /nfs/dbraw/zinc/71/90/11/570719011.db2.gz RRSLVBVATJOBPY-UHFFFAOYSA-N 1 2 382.432 2.276 50 0 GEAALO Cc1nn(C(F)F)c(C)c1S(=O)(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000036614910 570750785 /nfs/dbraw/zinc/75/07/85/570750785.db2.gz SGCRYTFCXLIMTM-UHFFFAOYSA-N 1 2 384.452 2.402 50 0 GEAALO O=C(NCc1cccc(Cl)c1)c1ccc2c(c1)nnn2CC[NH+]1CCOCC1 ZINC000065255176 570753294 /nfs/dbraw/zinc/75/32/94/570753294.db2.gz WGUXIRCHNVPSSL-UHFFFAOYSA-N 1 2 399.882 2.347 50 0 GEAALO COCCn1cnnc1Cn1c[nH+]c(-c2ccccc2)c1CCn1cccn1 ZINC000065369806 570761408 /nfs/dbraw/zinc/76/14/08/570761408.db2.gz VWGNLRZGGPRRRT-UHFFFAOYSA-N 1 2 377.452 2.276 50 0 GEAALO CCOC(=O)[C@@H]1C[C@@H]1C[N@@H+]1CCn2nc(-c3nc4ccccc4n3C)cc2C1 ZINC000065526109 570771794 /nfs/dbraw/zinc/77/17/94/570771794.db2.gz QAARKECQYKZEAW-GDBMZVCRSA-N 1 2 379.464 2.452 50 0 GEAALO CCOC(=O)[C@@H]1C[C@@H]1C[N@H+]1CCn2nc(-c3nc4ccccc4n3C)cc2C1 ZINC000065526109 570771797 /nfs/dbraw/zinc/77/17/97/570771797.db2.gz QAARKECQYKZEAW-GDBMZVCRSA-N 1 2 379.464 2.452 50 0 GEAALO CN(c1ccccc1F)S(=O)(=O)c1cccc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000067339069 570779328 /nfs/dbraw/zinc/77/93/28/570779328.db2.gz NJKXITZMBCMNLT-UHFFFAOYSA-N 1 2 391.468 2.038 50 0 GEAALO CC[C@@]1([NH+]2CCN(C(=O)c3ccc(Cl)s3)CC2)CCN(C(=O)NC)C1 ZINC000065292058 570784883 /nfs/dbraw/zinc/78/48/83/570784883.db2.gz FWYVFVRUGISCKX-QGZVFWFLSA-N 1 2 384.933 2.353 50 0 GEAALO Cc1oc2ncn(CC(C)C)c(=O)c2c1C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000065329629 570800968 /nfs/dbraw/zinc/80/09/68/570800968.db2.gz UXQOHOZVVFYHJF-UHFFFAOYSA-N 1 2 395.463 2.311 50 0 GEAALO CCc1c(C)sc(NC(=O)C[NH+]2CCC3(CC2)OCCO3)c1C(=O)OC ZINC000006698363 570801646 /nfs/dbraw/zinc/80/16/46/570801646.db2.gz OVGSKDUFLUJCIB-UHFFFAOYSA-N 1 2 382.482 2.183 50 0 GEAALO Cc1ccc(NC(=O)CN2CC[NH+](CC(=O)N3CCCCC3)CC2)cc1Cl ZINC000022933929 570817891 /nfs/dbraw/zinc/81/78/91/570817891.db2.gz SYEOTOSHHITRBB-UHFFFAOYSA-N 1 2 392.931 2.217 50 0 GEAALO CC1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CC[NH+](C)CC3)c2)CC1 ZINC000071754815 570848579 /nfs/dbraw/zinc/84/85/79/570848579.db2.gz PUMAAKQUYKGOGF-UHFFFAOYSA-N 1 2 399.944 2.148 50 0 GEAALO CCc1[nH]c2c(cc(F)cc2CNC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(C)=O)c1C ZINC000071760240 570849510 /nfs/dbraw/zinc/84/95/10/570849510.db2.gz XYZIVAVRGACHPF-SFHVURJKSA-N 1 2 385.443 2.265 50 0 GEAALO CCc1[nH]c2c(cc(F)cc2CNC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(C)=O)c1C ZINC000071760240 570849513 /nfs/dbraw/zinc/84/95/13/570849513.db2.gz XYZIVAVRGACHPF-SFHVURJKSA-N 1 2 385.443 2.265 50 0 GEAALO COC(=O)c1ccc(NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)nc1OC ZINC000170598803 570857311 /nfs/dbraw/zinc/85/73/11/570857311.db2.gz JVHLISCUDRJFCZ-UHFFFAOYSA-N 1 2 398.463 2.392 50 0 GEAALO Cc1cccn2cc(COc3ccccc3C(=O)NCc3nnc(N)o3)[nH+]c12 ZINC000170601730 570859822 /nfs/dbraw/zinc/85/98/22/570859822.db2.gz IVGUKGZYUJYREM-UHFFFAOYSA-N 1 2 378.392 2.117 50 0 GEAALO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc(S(C)(=O)=O)cc1)c1cccc(F)c1 ZINC000012559041 570860915 /nfs/dbraw/zinc/86/09/15/570860915.db2.gz GLGUIBPJYMWWSU-QGZVFWFLSA-N 1 2 387.436 2.482 50 0 GEAALO O=C(NCCNc1cc(N2CCOCC2)nc[nH+]1)Nc1cccc(Cl)c1 ZINC000072119172 570866648 /nfs/dbraw/zinc/86/66/48/570866648.db2.gz NTQJHETVMQUYCV-UHFFFAOYSA-N 1 2 376.848 2.200 50 0 GEAALO O=C(NCCNc1cc(N2CCOCC2)[nH+]cn1)Nc1cccc(Cl)c1 ZINC000072119172 570866650 /nfs/dbraw/zinc/86/66/50/570866650.db2.gz NTQJHETVMQUYCV-UHFFFAOYSA-N 1 2 376.848 2.200 50 0 GEAALO Cc1cccn2c(CC(=O)N3CC[C@H](Cc4cccc(C(N)=O)c4)C3)c[nH+]c12 ZINC000072158263 570875178 /nfs/dbraw/zinc/87/51/78/570875178.db2.gz SZCYSEDFDNMZAO-QGZVFWFLSA-N 1 2 376.460 2.375 50 0 GEAALO Cc1nn(C)c2nc(C)c(CCC(=O)NCC(C)(C)[NH+]3CCOCC3)c(C)c12 ZINC000032902399 570898472 /nfs/dbraw/zinc/89/84/72/570898472.db2.gz CQYLWZWTZPAOBN-UHFFFAOYSA-N 1 2 387.528 2.053 50 0 GEAALO COc1ccc(CC(=O)NC[C@@H](c2cccs2)[NH+]2CCOCC2)cc1OC ZINC000023105701 570904397 /nfs/dbraw/zinc/90/43/97/570904397.db2.gz HCWLZIITLGCFSP-INIZCTEOSA-N 1 2 390.505 2.498 50 0 GEAALO Cc1ccc(C)c(-c2nn(C[C@H](O)C[NH+]3CCOCC3)c(=O)c3ccccc32)c1 ZINC000032907286 570907116 /nfs/dbraw/zinc/90/71/16/570907116.db2.gz RNJZTZDRIYKGSR-GOSISDBHSA-N 1 2 393.487 2.373 50 0 GEAALO Cc1ccc(C)c(-c2nn(C[C@@H](O)C[NH+]3CCOCC3)c(=O)c3ccccc32)c1 ZINC000032907285 570907139 /nfs/dbraw/zinc/90/71/39/570907139.db2.gz RNJZTZDRIYKGSR-SFHVURJKSA-N 1 2 393.487 2.373 50 0 GEAALO CC[N@H+](CCCNC(=O)[C@H]1CCCN(S(=O)(=O)CC)C1)c1cccc(C)c1 ZINC000004034464 570923278 /nfs/dbraw/zinc/92/32/78/570923278.db2.gz TWMTXWNEIMSPJR-SFHVURJKSA-N 1 2 395.569 2.389 50 0 GEAALO CC[N@@H+](CCCNC(=O)[C@H]1CCCN(S(=O)(=O)CC)C1)c1cccc(C)c1 ZINC000004034464 570923280 /nfs/dbraw/zinc/92/32/80/570923280.db2.gz TWMTXWNEIMSPJR-SFHVURJKSA-N 1 2 395.569 2.389 50 0 GEAALO CCOC(=O)[C@@H]1CCCN(S(=O)(=O)NCCC[N@H+](CC)c2ccccc2)C1 ZINC000105667109 570931088 /nfs/dbraw/zinc/93/10/88/570931088.db2.gz POFMHQHBZIHUPV-QGZVFWFLSA-N 1 2 397.541 2.013 50 0 GEAALO CCOC(=O)[C@@H]1CCCN(S(=O)(=O)NCCC[N@@H+](CC)c2ccccc2)C1 ZINC000105667109 570931092 /nfs/dbraw/zinc/93/10/92/570931092.db2.gz POFMHQHBZIHUPV-QGZVFWFLSA-N 1 2 397.541 2.013 50 0 GEAALO O=C(CSc1[nH+]cnc2c1cnn2-c1ccc(Cl)cc1)N1CCOCC1 ZINC000001346679 570959247 /nfs/dbraw/zinc/95/92/47/570959247.db2.gz JFBMYGSVLMZUQB-UHFFFAOYSA-N 1 2 389.868 2.420 50 0 GEAALO Cc1ccc(CNC(=O)C2CC[NH+](Cn3ncn(C)c3=S)CC2)cc1F ZINC000054515856 570962164 /nfs/dbraw/zinc/96/21/64/570962164.db2.gz HLLSOUSDDOTRQP-UHFFFAOYSA-N 1 2 377.489 2.385 50 0 GEAALO CC[NH+](CC)CCNC(C)=C1C(=O)NC(=O)N(c2c(C)cc(C)cc2C)C1=O ZINC000025175605 570962291 /nfs/dbraw/zinc/96/22/91/570962291.db2.gz QLUONFTZTCHPQD-MSUUIHNZSA-N 1 2 386.496 2.400 50 0 GEAALO O=C(c1ccccc1)N1CCC[C@H](C(=O)N2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000108769318 570991330 /nfs/dbraw/zinc/99/13/30/570991330.db2.gz FWHHPDYVFJCADV-FQEVSTJZSA-N 1 2 392.503 2.278 50 0 GEAALO CN(Cc1[nH+]ccn1C)C(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O ZINC000007738464 571028882 /nfs/dbraw/zinc/02/88/82/571028882.db2.gz DMQZKLQREYNHKD-UHFFFAOYSA-N 1 2 395.440 2.070 50 0 GEAALO OCCOCCCNc1[nH+]cnc2c1cnn2-c1cccc(Br)c1 ZINC000864234954 653730211 /nfs/dbraw/zinc/73/02/11/653730211.db2.gz AKOGCVNSVOIYEB-UHFFFAOYSA-N 1 2 392.257 2.389 50 0 GEAALO O=C(NCCC[N@@H+]1CCNC(=O)C1)c1cccc(-c2cccc3[nH]ccc32)c1 ZINC000426371110 231209731 /nfs/dbraw/zinc/20/97/31/231209731.db2.gz OYRVOCNPTPPMIL-UHFFFAOYSA-N 1 2 376.460 2.387 50 0 GEAALO O=C(NCCC[N@H+]1CCNC(=O)C1)c1cccc(-c2cccc3[nH]ccc32)c1 ZINC000426371110 231209734 /nfs/dbraw/zinc/20/97/34/231209734.db2.gz OYRVOCNPTPPMIL-UHFFFAOYSA-N 1 2 376.460 2.387 50 0 GEAALO CCc1ccc(C[N@@H+]2CCc3c(C(=O)N4CCC[C@@H]4C(N)=O)csc3C2)nc1 ZINC000426545044 529642881 /nfs/dbraw/zinc/64/28/81/529642881.db2.gz KMYFIFDCBHCIDK-GOSISDBHSA-N 1 2 398.532 2.354 50 0 GEAALO CCc1ccc(C[N@H+]2CCc3c(C(=O)N4CCC[C@@H]4C(N)=O)csc3C2)nc1 ZINC000426545044 529642882 /nfs/dbraw/zinc/64/28/82/529642882.db2.gz KMYFIFDCBHCIDK-GOSISDBHSA-N 1 2 398.532 2.354 50 0 GEAALO Cn1c(CCC(N)=O)nn(C[N@H+](C)Cc2ccc(Br)cc2)c1=S ZINC000012933403 531555616 /nfs/dbraw/zinc/55/56/16/531555616.db2.gz GJWNRRAQXDGQKV-UHFFFAOYSA-N 1 2 398.330 2.221 50 0 GEAALO Cn1c(CCC(N)=O)nn(C[N@@H+](C)Cc2ccc(Br)cc2)c1=S ZINC000012933403 531555624 /nfs/dbraw/zinc/55/56/24/531555624.db2.gz GJWNRRAQXDGQKV-UHFFFAOYSA-N 1 2 398.330 2.221 50 0 GEAALO C[C@@H](Oc1ccc(Br)cc1)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000013022179 531558637 /nfs/dbraw/zinc/55/86/37/531558637.db2.gz IHWNEKWILIWTOP-CYBMUJFWSA-N 1 2 385.302 2.443 50 0 GEAALO C[C@H](Oc1ccc(Br)cc1)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000013022181 531558983 /nfs/dbraw/zinc/55/89/83/531558983.db2.gz IHWNEKWILIWTOP-ZDUSSCGKSA-N 1 2 385.302 2.443 50 0 GEAALO O=S(=O)(c1ccc(Cl)cc1)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000023387985 531598957 /nfs/dbraw/zinc/59/89/57/531598957.db2.gz XVMHNAZSTCWADK-GOSISDBHSA-N 1 2 380.897 2.380 50 0 GEAALO CS(=O)(=O)NC[C@H]1CCC[N@H+](Cc2ccc(F)c(Br)c2)C1 ZINC000054174950 531772968 /nfs/dbraw/zinc/77/29/68/531772968.db2.gz JEOFDIBPXKAXCX-GFCCVEGCSA-N 1 2 379.295 2.349 50 0 GEAALO CS(=O)(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(F)c(Br)c2)C1 ZINC000054174950 531772975 /nfs/dbraw/zinc/77/29/75/531772975.db2.gz JEOFDIBPXKAXCX-GFCCVEGCSA-N 1 2 379.295 2.349 50 0 GEAALO O=C(NCc1cn2cc(Br)ccc2[nH+]1)c1cnc2nccnc2c1 ZINC000170595130 531884795 /nfs/dbraw/zinc/88/47/95/531884795.db2.gz PCXWNRKBDCNNEE-UHFFFAOYSA-N 1 2 383.209 2.365 50 0 GEAALO Cc1ccc(C)c(S(=O)(=O)N2CCCSC[C@H]2C[NH+]2CCOCC2)c1 ZINC000090609239 531923098 /nfs/dbraw/zinc/92/30/98/531923098.db2.gz BGUCAWOMYAWHBG-QGZVFWFLSA-N 1 2 384.567 2.132 50 0 GEAALO O=S(=O)(c1ccc(Cl)cc1)N1CCCSC[C@H]1C[NH+]1CCOCC1 ZINC000090609224 531923658 /nfs/dbraw/zinc/92/36/58/531923658.db2.gz YPABNPDIKXHBIA-OAHLLOKOSA-N 1 2 390.958 2.168 50 0 GEAALO O=S1(=O)CC[C@H]([N@@H+](Cc2cccc(F)c2)C[C@@H](O)COc2ccccc2)C1 ZINC000229683465 206260761 /nfs/dbraw/zinc/26/07/61/206260761.db2.gz VUGPSJAOWQXUAT-RBUKOAKNSA-N 1 2 393.480 2.255 50 0 GEAALO O=S1(=O)CC[C@H]([N@H+](Cc2cccc(F)c2)C[C@@H](O)COc2ccccc2)C1 ZINC000229683465 206260766 /nfs/dbraw/zinc/26/07/66/206260766.db2.gz VUGPSJAOWQXUAT-RBUKOAKNSA-N 1 2 393.480 2.255 50 0 GEAALO Cc1ccc(N2CCN(CC(=O)N3CC[C@@H](Oc4cc[nH+]cc4)C3)C2=O)cc1 ZINC000240122545 206280562 /nfs/dbraw/zinc/28/05/62/206280562.db2.gz WCFRFKGXONFRHK-LJQANCHMSA-N 1 2 380.448 2.312 50 0 GEAALO COc1ccc(N2C(=O)C[C@H]([N@@H+]3CCc4cc(OC)c(OC)cc4C3)C2=O)cc1 ZINC000022609151 206298293 /nfs/dbraw/zinc/29/82/93/206298293.db2.gz QJWIGCRNPRIDQQ-SFHVURJKSA-N 1 2 396.443 2.403 50 0 GEAALO COc1ccc(N2C(=O)C[C@H]([N@H+]3CCc4cc(OC)c(OC)cc4C3)C2=O)cc1 ZINC000022609151 206298295 /nfs/dbraw/zinc/29/82/95/206298295.db2.gz QJWIGCRNPRIDQQ-SFHVURJKSA-N 1 2 396.443 2.403 50 0 GEAALO O=C(c1cn(Cc2ccccc2Cl)nn1)N1CCN(c2cccc[nH+]2)CC1 ZINC000012209041 206872072 /nfs/dbraw/zinc/87/20/72/206872072.db2.gz USOZTUGPJJBYHM-UHFFFAOYSA-N 1 2 382.855 2.337 50 0 GEAALO C[NH+]1CCN(c2nc(O)c(CC(=O)Nc3cccc4ccccc43)s2)CC1 ZINC000014111187 207010623 /nfs/dbraw/zinc/01/06/23/207010623.db2.gz ONZYWCRJCIUCRB-KRWDZBQOSA-N 1 2 382.489 2.414 50 0 GEAALO CN(CC(=O)Nc1ccc(OC(F)(F)F)cc1)c1[nH+]cnc2c1cnn2C ZINC000014216733 207016228 /nfs/dbraw/zinc/01/62/28/207016228.db2.gz NSJOBUNYBBAZAG-UHFFFAOYSA-N 1 2 380.330 2.337 50 0 GEAALO C[C@H](C1CC1)N(CC(F)(F)F)C(=O)C[N@H+](C)CC(=O)NCc1ccco1 ZINC000014247194 207017530 /nfs/dbraw/zinc/01/75/30/207017530.db2.gz QRQZCRJUNQBODW-GFCCVEGCSA-N 1 2 375.391 2.017 50 0 GEAALO C[C@H](C1CC1)N(CC(F)(F)F)C(=O)C[N@@H+](C)CC(=O)NCc1ccco1 ZINC000014247194 207017533 /nfs/dbraw/zinc/01/75/33/207017533.db2.gz QRQZCRJUNQBODW-GFCCVEGCSA-N 1 2 375.391 2.017 50 0 GEAALO COc1ccccc1C[N@@H+]1CCN2C(=O)[C@H](CC3CCCCC3)NC(=O)[C@H]2C1 ZINC000014745578 207027490 /nfs/dbraw/zinc/02/74/90/207027490.db2.gz BESNPQZKAIHTNZ-RBUKOAKNSA-N 1 2 385.508 2.177 50 0 GEAALO COc1ccccc1C[N@H+]1CCN2C(=O)[C@H](CC3CCCCC3)NC(=O)[C@H]2C1 ZINC000014745578 207027494 /nfs/dbraw/zinc/02/74/94/207027494.db2.gz BESNPQZKAIHTNZ-RBUKOAKNSA-N 1 2 385.508 2.177 50 0 GEAALO CCOc1ccc(C[N@@H+]2CCNC(=O)[C@@H]2CC(=O)NCc2cccc(C)c2)cc1 ZINC000014980291 207037014 /nfs/dbraw/zinc/03/70/14/207037014.db2.gz YBOSBTATUUAAIU-NRFANRHFSA-N 1 2 395.503 2.401 50 0 GEAALO CCOc1ccc(C[N@H+]2CCNC(=O)[C@@H]2CC(=O)NCc2cccc(C)c2)cc1 ZINC000014980291 207037019 /nfs/dbraw/zinc/03/70/19/207037019.db2.gz YBOSBTATUUAAIU-NRFANRHFSA-N 1 2 395.503 2.401 50 0 GEAALO CC(=O)N1CCN(c2[nH+]cccc2CNC(=O)CCCc2cccs2)CC1 ZINC000015070524 207045368 /nfs/dbraw/zinc/04/53/68/207045368.db2.gz DSVBAEDZFJYHBI-UHFFFAOYSA-N 1 2 386.521 2.451 50 0 GEAALO CCOCCCNC(=O)C[C@H]1C(=O)NCC[N@H+]1Cc1ccc2ccccc2c1 ZINC000015066819 207042921 /nfs/dbraw/zinc/04/29/21/207042921.db2.gz SARCIXQWGXXMFG-FQEVSTJZSA-N 1 2 383.492 2.073 50 0 GEAALO CCOCCCNC(=O)C[C@H]1C(=O)NCC[N@@H+]1Cc1ccc2ccccc2c1 ZINC000015066819 207042924 /nfs/dbraw/zinc/04/29/24/207042924.db2.gz SARCIXQWGXXMFG-FQEVSTJZSA-N 1 2 383.492 2.073 50 0 GEAALO O=C(COc1ccc(F)cc1)N1CC[NH+](Cc2cc(=O)c3ccccc3[nH]2)CC1 ZINC000015865372 207065131 /nfs/dbraw/zinc/06/51/31/207065131.db2.gz NGDOGHUMXOVQSD-UHFFFAOYSA-N 1 2 395.434 2.390 50 0 GEAALO CC(=O)N1c2ccccc2C[C@H]1C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000015773426 207060046 /nfs/dbraw/zinc/06/00/46/207060046.db2.gz XRLIROACNXYGKC-NRFANRHFSA-N 1 2 379.460 2.435 50 0 GEAALO C[C@H](NC(=O)CN1C(=O)COc2ccccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000018047929 207092177 /nfs/dbraw/zinc/09/21/77/207092177.db2.gz WKNGNJDNELKVBT-HNNXBMFYSA-N 1 2 376.416 2.475 50 0 GEAALO COc1cccc(N2CC[NH+]([C@H]3CC(=O)N(c4ccc(C)cc4)C3=O)CC2)c1 ZINC000018180256 207093464 /nfs/dbraw/zinc/09/34/64/207093464.db2.gz KMVITPHXOAQOEX-FQEVSTJZSA-N 1 2 379.460 2.458 50 0 GEAALO COc1ccc2[nH]c(SCC(=O)N3CCN(c4cccc[nH+]4)CC3)nc2c1 ZINC000018475632 207098206 /nfs/dbraw/zinc/09/82/06/207098206.db2.gz IWYGZOPKCSWDHF-UHFFFAOYSA-N 1 2 383.477 2.407 50 0 GEAALO Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCC[NH+]2CCOCC2)cc1C ZINC000019889957 207168788 /nfs/dbraw/zinc/16/87/88/207168788.db2.gz AJFDUWMVDSHQMZ-HKWRFOASSA-N 1 2 397.475 2.116 50 0 GEAALO Cc1ccc(Nc2nc(N3CC[NH+](CCO)CC3)nc3c2C(=O)CCC3)cc1 ZINC000020102325 207177845 /nfs/dbraw/zinc/17/78/45/207177845.db2.gz QNHSBEBSBMEKMA-UHFFFAOYSA-N 1 2 381.480 2.162 50 0 GEAALO COC(=O)C1C(C[NH+]2CCSCC2)=NC(=O)N[C@@H]1c1cc(C)ccc1C ZINC000020512060 207199270 /nfs/dbraw/zinc/19/92/70/207199270.db2.gz HFTJLBFOGHACBY-QGZVFWFLSA-N 1 2 375.494 2.133 50 0 GEAALO Cc1nc2cc(-c3ccccc3)nn2c(C)c1CC(=O)NCC[NH+]1CCOCC1 ZINC000020437137 207190863 /nfs/dbraw/zinc/19/08/63/207190863.db2.gz KHLMDVRUYBTERE-UHFFFAOYSA-N 1 2 393.491 2.004 50 0 GEAALO CCOC(=O)C1C(C[NH+]2CCSCC2)=NC(=O)N[C@@H]1c1ccc(C)cc1 ZINC000020529209 207200838 /nfs/dbraw/zinc/20/08/38/207200838.db2.gz CCNNQNKOFHLGOW-QGZVFWFLSA-N 1 2 375.494 2.215 50 0 GEAALO CCOC(=O)c1c2c(sc1NC(=O)NCC[NH+]1CCOCC1)CCCC2 ZINC000020589236 207204079 /nfs/dbraw/zinc/20/40/79/207204079.db2.gz APUBEWKAAIMLCN-UHFFFAOYSA-N 1 2 381.498 2.257 50 0 GEAALO COc1cccc(C[NH+]2CCN(C(=O)[C@H]3CCN(c4ccccc4)C3=O)CC2)c1 ZINC000020906875 207219513 /nfs/dbraw/zinc/21/95/13/207219513.db2.gz ZWVBRICNOZFASZ-OAQYLSRUSA-N 1 2 393.487 2.393 50 0 GEAALO O=C(NCC[NH+]1CCOCC1)c1ccc(/C=C2\Oc3ccccc3NC2=O)cc1 ZINC000020730426 207211401 /nfs/dbraw/zinc/21/14/01/207211401.db2.gz BSIHMOGRIMELAO-HKWRFOASSA-N 1 2 393.443 2.121 50 0 GEAALO O=C(NCC[NH+]1CCOCC1)c1ccccc1Cc1cc2ccccc2c(=O)o1 ZINC000020724691 207212391 /nfs/dbraw/zinc/21/23/91/207212391.db2.gz LAOYTCLAENNWCL-UHFFFAOYSA-N 1 2 392.455 2.446 50 0 GEAALO O=C(c1ccc2c(c1)NC(=O)[C@H]1CCCCN21)N1CCN(c2cccc[nH+]2)CC1 ZINC000021646820 207234157 /nfs/dbraw/zinc/23/41/57/207234157.db2.gz QBJNVKQCAFYCJF-LJQANCHMSA-N 1 2 391.475 2.355 50 0 GEAALO Cn1ncc2c1nc[nH+]c2SCc1nnc(C(=O)NCc2ccccc2)s1 ZINC000021754967 207237080 /nfs/dbraw/zinc/23/70/80/207237080.db2.gz KYQMUDZTUIYINZ-UHFFFAOYSA-N 1 2 397.489 2.437 50 0 GEAALO O=C(CN1CC[NH+](Cc2ccccn2)CC1)Nc1ccccc1OC(F)F ZINC000022134210 207248655 /nfs/dbraw/zinc/24/86/55/207248655.db2.gz PMDXXUCTSBFQLT-UHFFFAOYSA-N 1 2 376.407 2.439 50 0 GEAALO CC(C)CCc1cc(=O)[nH]c(N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)n1 ZINC000022448925 207253928 /nfs/dbraw/zinc/25/39/28/207253928.db2.gz NBRBKQIHSFYQKD-UHFFFAOYSA-N 1 2 384.480 2.409 50 0 GEAALO O=C(C[NH+]1CCN(Cc2nc(-c3cccs3)no2)CC1)N1CCCCCC1 ZINC000023248575 207272654 /nfs/dbraw/zinc/27/26/54/207272654.db2.gz VOIFPMDBVYSRSJ-UHFFFAOYSA-N 1 2 389.525 2.318 50 0 GEAALO CN(C)C(=O)C[NH+]1CCN(Cc2c(-c3ccccc3)nc3sccn23)CC1 ZINC000022927287 207264965 /nfs/dbraw/zinc/26/49/65/207264965.db2.gz CAWLDPBGJXABAM-UHFFFAOYSA-N 1 2 383.521 2.269 50 0 GEAALO CN(C)C(=O)CN1CC[NH+](Cc2c(-c3ccccc3)nc3sccn23)CC1 ZINC000022927287 207264970 /nfs/dbraw/zinc/26/49/70/207264970.db2.gz CAWLDPBGJXABAM-UHFFFAOYSA-N 1 2 383.521 2.269 50 0 GEAALO C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)N1CC[NH+](CC(=O)NC2CC2)CC1 ZINC000022934289 207265794 /nfs/dbraw/zinc/26/57/94/207265794.db2.gz VOTWIGZOACSNAW-LBPRGKRZSA-N 1 2 399.322 2.217 50 0 GEAALO Cc1ccc(S(=O)(=O)N2CCC[N@@H+]([C@H](C)C(=O)NC3CCCC3)CC2)cc1 ZINC000023039994 207267254 /nfs/dbraw/zinc/26/72/54/207267254.db2.gz AZLAARUWNRGGMJ-QGZVFWFLSA-N 1 2 393.553 2.139 50 0 GEAALO Cc1ccc(S(=O)(=O)N2CCC[N@H+]([C@H](C)C(=O)NC3CCCC3)CC2)cc1 ZINC000023039994 207267259 /nfs/dbraw/zinc/26/72/59/207267259.db2.gz AZLAARUWNRGGMJ-QGZVFWFLSA-N 1 2 393.553 2.139 50 0 GEAALO COc1ccc(OC)c([C@H]2CCC[N@@H+]2CN2C(=O)C(=O)N(CC(C)C)C2=O)c1 ZINC000023851993 207282483 /nfs/dbraw/zinc/28/24/83/207282483.db2.gz OVOAOKUMYMQSRK-MRXNPFEDSA-N 1 2 389.452 2.245 50 0 GEAALO COc1ccc(OC)c([C@H]2CCC[N@H+]2CN2C(=O)C(=O)N(CC(C)C)C2=O)c1 ZINC000023851993 207282487 /nfs/dbraw/zinc/28/24/87/207282487.db2.gz OVOAOKUMYMQSRK-MRXNPFEDSA-N 1 2 389.452 2.245 50 0 GEAALO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc2c(c1)OCC(=O)N2)c1cccc(F)c1 ZINC000024015071 207286380 /nfs/dbraw/zinc/28/63/80/207286380.db2.gz FFDQTBGLWRSJAE-SFHVURJKSA-N 1 2 380.379 2.410 50 0 GEAALO O=C(CCc1nnc(-c2ccsc2)o1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000023478785 207277862 /nfs/dbraw/zinc/27/78/62/207277862.db2.gz NOHXNMGFLXLSSR-UHFFFAOYSA-N 1 2 383.477 2.470 50 0 GEAALO O=C(NCCCn1cc[nH+]c1)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1 ZINC000024828511 207295660 /nfs/dbraw/zinc/29/56/60/207295660.db2.gz UAKFNLHXHPYADH-UHFFFAOYSA-N 1 2 388.427 2.499 50 0 GEAALO O=C(CCCNC(=O)c1ccc(F)cc1F)NCCc1cn2ccccc2[nH+]1 ZINC000025527635 207304352 /nfs/dbraw/zinc/30/43/52/207304352.db2.gz KXPZIHNNXITBRG-UHFFFAOYSA-N 1 2 386.402 2.481 50 0 GEAALO O=S(=O)(NCc1ccccc1C[NH+]1CCOCC1)c1ccc2c(c1)CCC2 ZINC000026358095 207313765 /nfs/dbraw/zinc/31/37/65/207313765.db2.gz KLCDULFUIHGKLW-UHFFFAOYSA-N 1 2 386.517 2.486 50 0 GEAALO Cn1cc[nH+]c1[C@@H](NC(=O)c1n[nH]c(=O)c2ccccc12)c1ccccc1F ZINC000029086258 207354606 /nfs/dbraw/zinc/35/46/06/207354606.db2.gz FXYWUWPGTJJXAT-INIZCTEOSA-N 1 2 377.379 2.315 50 0 GEAALO Cc1cc(C(=O)N2CC[NH+](Cc3ccc(Cl)cc3)CC2)c2c(=O)[nH]n(C)c2n1 ZINC000031781728 207385864 /nfs/dbraw/zinc/38/58/64/207385864.db2.gz GQZOKFZKMXMPAZ-UHFFFAOYSA-N 1 2 399.882 2.181 50 0 GEAALO C[C@H](CNS(=O)(=O)c1ccc(F)cc1F)[NH+]1CCN(c2ccccc2)CC1 ZINC000032440573 207395499 /nfs/dbraw/zinc/39/54/99/207395499.db2.gz OAGAOQCWMXIJEK-OAHLLOKOSA-N 1 2 395.475 2.454 50 0 GEAALO COc1ccc(C[N@@H+]2CCO[C@@H](C(=O)NC3Cc4ccccc4C3)C2)cc1C ZINC000072420412 208019873 /nfs/dbraw/zinc/01/98/73/208019873.db2.gz RSMXMVRAZLTXRI-JOCHJYFZSA-N 1 2 380.488 2.488 50 0 GEAALO COc1ccc(C[N@H+]2CCO[C@@H](C(=O)NC3Cc4ccccc4C3)C2)cc1C ZINC000072420412 208019881 /nfs/dbraw/zinc/01/98/81/208019881.db2.gz RSMXMVRAZLTXRI-JOCHJYFZSA-N 1 2 380.488 2.488 50 0 GEAALO O=C(c1[nH]nc2ccccc21)N1CC[N@H+](CCc2ccccc2)[C@H](CCO)C1 ZINC000072434494 208023700 /nfs/dbraw/zinc/02/37/00/208023700.db2.gz CKDRWFNSROSUHN-GOSISDBHSA-N 1 2 378.476 2.314 50 0 GEAALO O=C(c1[nH]nc2ccccc21)N1CC[N@@H+](CCc2ccccc2)[C@H](CCO)C1 ZINC000072434494 208023703 /nfs/dbraw/zinc/02/37/03/208023703.db2.gz CKDRWFNSROSUHN-GOSISDBHSA-N 1 2 378.476 2.314 50 0 GEAALO C[N@H+](Cc1cc2n(n1)CCN(C(=O)CCn1cccc1)C2)Cc1cccnc1 ZINC000072453878 208026894 /nfs/dbraw/zinc/02/68/94/208026894.db2.gz DRZWMUAFCOAMLI-UHFFFAOYSA-N 1 2 378.480 2.144 50 0 GEAALO C[N@@H+](Cc1cc2n(n1)CCN(C(=O)CCn1cccc1)C2)Cc1cccnc1 ZINC000072453878 208026900 /nfs/dbraw/zinc/02/69/00/208026900.db2.gz DRZWMUAFCOAMLI-UHFFFAOYSA-N 1 2 378.480 2.144 50 0 GEAALO Cc1cc(-c2cn3cc(C(=O)N[C@H](C)c4[nH]cc[nH+]4)nc3c(=O)n2C)c(C)o1 ZINC000072479367 208032888 /nfs/dbraw/zinc/03/28/88/208032888.db2.gz KGDGYFWFKKARTO-LLVKDONJSA-N 1 2 380.408 2.124 50 0 GEAALO C[N@H+](CC(=O)N1CCC[C@@]2(CCC(=O)N(CC3CC3)C2)C1)Cc1ccncc1 ZINC000077378606 208040791 /nfs/dbraw/zinc/04/07/91/208040791.db2.gz MOOXTHYYFNGTII-JOCHJYFZSA-N 1 2 384.524 2.155 50 0 GEAALO C[N@@H+](CC(=O)N1CCC[C@@]2(CCC(=O)N(CC3CC3)C2)C1)Cc1ccncc1 ZINC000077378606 208040797 /nfs/dbraw/zinc/04/07/97/208040797.db2.gz MOOXTHYYFNGTII-JOCHJYFZSA-N 1 2 384.524 2.155 50 0 GEAALO O=C1Nc2ccccc2NC12CC[NH+](CCS(=O)(=O)c1ccccc1)CC2 ZINC000077427492 208043184 /nfs/dbraw/zinc/04/31/84/208043184.db2.gz UZZVAPARJNOLHI-UHFFFAOYSA-N 1 2 385.489 2.359 50 0 GEAALO O=C(CN1c2cc(-c3cccc(Cl)c3)nn2CCC1=O)NCCc1c[nH+]c[nH]1 ZINC000085580927 208100895 /nfs/dbraw/zinc/10/08/95/208100895.db2.gz PYOPYQWATRTEEF-UHFFFAOYSA-N 1 2 398.854 2.022 50 0 GEAALO O=C(CN1c2cc(-c3cccc(Cl)c3)nn2CCC1=O)NCCc1c[nH]c[nH+]1 ZINC000085580927 208100899 /nfs/dbraw/zinc/10/08/99/208100899.db2.gz PYOPYQWATRTEEF-UHFFFAOYSA-N 1 2 398.854 2.022 50 0 GEAALO O=C(NCc1ccco1)N1CCC[C@]2(CCC(=O)N(CCc3c[nH+]c[nH]3)C2)C1 ZINC000082121753 208079922 /nfs/dbraw/zinc/07/99/22/208079922.db2.gz PQEHQKBUYUKNBB-HXUWFJFHSA-N 1 2 385.468 2.160 50 0 GEAALO O=C(NCc1ccco1)N1CCC[C@]2(CCC(=O)N(CCc3c[nH]c[nH+]3)C2)C1 ZINC000082121753 208079928 /nfs/dbraw/zinc/07/99/28/208079928.db2.gz PQEHQKBUYUKNBB-HXUWFJFHSA-N 1 2 385.468 2.160 50 0 GEAALO CCOc1ccc(C(=O)N2CCC[N@@H+]([C@H]3CCN(CC4CC4)C3=O)CC2)cc1 ZINC000085824382 208103122 /nfs/dbraw/zinc/10/31/22/208103122.db2.gz BBSIHQFSZRDIEC-FQEVSTJZSA-N 1 2 385.508 2.244 50 0 GEAALO CCOc1ccc(C(=O)N2CCC[N@H+]([C@H]3CCN(CC4CC4)C3=O)CC2)cc1 ZINC000085824382 208103128 /nfs/dbraw/zinc/10/31/28/208103128.db2.gz BBSIHQFSZRDIEC-FQEVSTJZSA-N 1 2 385.508 2.244 50 0 GEAALO CCc1cc(C(=O)N2CCC(c3nnc(Cn4cc[nH+]c4)n3C)CC2)ccn1 ZINC000091536408 208124399 /nfs/dbraw/zinc/12/43/99/208124399.db2.gz DDGAIPIRXWXVSF-UHFFFAOYSA-N 1 2 379.468 2.037 50 0 GEAALO CNC(=O)[C@@H](NC(=O)C[NH+]1CCC(=Cc2cc(C)on2)CC1)c1ccccc1 ZINC000089600993 208108121 /nfs/dbraw/zinc/10/81/21/208108121.db2.gz XNCIHJLMEMOSOB-FQEVSTJZSA-N 1 2 382.464 2.066 50 0 GEAALO Cc1c(C(=O)N2CCC3(CCC(=O)N(CCc4c[nH+]c[nH]4)C3)CC2)ccn1C ZINC000091486561 208119905 /nfs/dbraw/zinc/11/99/05/208119905.db2.gz BLAXCPTUVIYVGP-UHFFFAOYSA-N 1 2 383.496 2.144 50 0 GEAALO Cc1c(C(=O)N2CCC3(CCC(=O)N(CCc4c[nH]c[nH+]4)C3)CC2)ccn1C ZINC000091486561 208119912 /nfs/dbraw/zinc/11/99/12/208119912.db2.gz BLAXCPTUVIYVGP-UHFFFAOYSA-N 1 2 383.496 2.144 50 0 GEAALO Cc1cccc(Nc2nc(N)nc(C[NH+]3CCC4(CC3)OCCC[C@@H]4O)n2)c1 ZINC000095370304 208166994 /nfs/dbraw/zinc/16/69/94/208166994.db2.gz WJVSROWASLELOF-INIZCTEOSA-N 1 2 384.484 2.012 50 0 GEAALO Cc1ccc(F)cc1[C@@H](C(=O)[O-])[NH+]1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000095372725 208167932 /nfs/dbraw/zinc/16/79/32/208167932.db2.gz RXMXKNAYBPCIPC-KRWDZBQOSA-N 1 2 377.460 2.066 50 0 GEAALO COc1coc(C(=O)N2CCC[C@@H](c3[nH+]ccn3Cc3ccccn3)C2)cc1=O ZINC000092045541 208147358 /nfs/dbraw/zinc/14/73/58/208147358.db2.gz OTNBGYMAXRMRFH-OAHLLOKOSA-N 1 2 394.431 2.308 50 0 GEAALO O=C(Cc1cccs1)N1CCC2(CC1)c1[nH+]c[nH]c1CCN2C(=O)C1CC1 ZINC000095506336 208205990 /nfs/dbraw/zinc/20/59/90/208205990.db2.gz DKHTVOMVXGFBQI-UHFFFAOYSA-N 1 2 384.505 2.326 50 0 GEAALO C[C@H]1C[NH+](Cc2ccccc2NC(=O)NCc2ccnc(N(C)C)n2)C[C@H](C)O1 ZINC000095463354 208187720 /nfs/dbraw/zinc/18/77/20/208187720.db2.gz BOFPCXUGQFDABE-HOTGVXAUSA-N 1 2 398.511 2.474 50 0 GEAALO O=C(Nc1nc(-c2cccnc2)cs1)NC1CC[NH+]([C@H]2CCOC2=O)CC1 ZINC000095467235 208191383 /nfs/dbraw/zinc/19/13/83/208191383.db2.gz VBFQBXQSKLPFOE-HNNXBMFYSA-N 1 2 387.465 2.107 50 0 GEAALO Cc1ncsc1C(=O)N1CCC2(CC1)c1[nH+]c[nH]c1CCN2C(=O)C1CC1 ZINC000095502073 208204365 /nfs/dbraw/zinc/20/43/65/208204365.db2.gz CKBPTOJOLUHQSD-UHFFFAOYSA-N 1 2 385.493 2.101 50 0 GEAALO CCC(=O)N1CCc2[nH]c[nH+]c2C12CCN(C(=O)c1ccc3c(c1)OCO3)CC2 ZINC000095522079 208219770 /nfs/dbraw/zinc/21/97/70/208219770.db2.gz AWUXBXQHFWVYTN-UHFFFAOYSA-N 1 2 396.447 2.065 50 0 GEAALO COc1cc(Cl)ccc1C(=O)N1CCC[C@H](c2[nH+]ccn2CC(N)=O)C1 ZINC000095522236 208219813 /nfs/dbraw/zinc/21/98/13/208219813.db2.gz XLMIWUJLWGJPLO-LBPRGKRZSA-N 1 2 376.844 2.050 50 0 GEAALO COCCn1cc[nH+]c1[C@H]1CCCN(C(=O)c2cccc(-n3cnnc3)c2)C1 ZINC000095522009 208220282 /nfs/dbraw/zinc/22/02/82/208220282.db2.gz XCVQISSIWWWMNE-KRWDZBQOSA-N 1 2 380.452 2.130 50 0 GEAALO CC(C)CCN1C[C@@]2(CCCN(C(=O)C(C)(C)[NH+]3CCOCC3)C2)CCC1=O ZINC000095524343 208223679 /nfs/dbraw/zinc/22/36/79/208223679.db2.gz FRYIJTOBCXLHLK-JOCHJYFZSA-N 1 2 393.572 2.375 50 0 GEAALO C[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(Cl)nc3)C[C@H]2CCC(=O)[O-])CC1 ZINC000095527570 208227379 /nfs/dbraw/zinc/22/73/79/208227379.db2.gz PFKXEAFPFSSVEJ-SJORKVTESA-N 1 2 380.920 2.038 50 0 GEAALO C[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(Cl)nc3)C[C@H]2CCC(=O)[O-])CC1 ZINC000095527570 208227385 /nfs/dbraw/zinc/22/73/85/208227385.db2.gz PFKXEAFPFSSVEJ-SJORKVTESA-N 1 2 380.920 2.038 50 0 GEAALO CCOC(=O)[C@@H]([NH3+])CS[C@@H]1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O ZINC000095531917 208228647 /nfs/dbraw/zinc/22/86/47/208228647.db2.gz CVIWUXKMJRDRKW-NWDGAFQWSA-N 1 2 391.276 2.249 50 0 GEAALO O=S(=O)(c1cnn(-c2ccccc2F)c1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000095961645 208245825 /nfs/dbraw/zinc/24/58/25/208245825.db2.gz QASMLVQUFCVFOL-CQSZACIVSA-N 1 2 375.429 2.061 50 0 GEAALO CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)[NH+]1CCC(c2nc[nH]n2)CC1 ZINC000095964370 208246968 /nfs/dbraw/zinc/24/69/68/208246968.db2.gz HSLBSJCLXZEKFU-OAHLLOKOSA-N 1 2 398.511 2.032 50 0 GEAALO O=C(NC[C@@H](c1cccc(F)c1)N1CCOCC1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000095983441 208249279 /nfs/dbraw/zinc/24/92/79/208249279.db2.gz OBYJQCSJDAWNEX-FQEVSTJZSA-N 1 2 395.438 2.210 50 0 GEAALO COc1ccccc1-n1nc(CC(N)=O)nc1Cc1ccc2[nH]c(C)[nH+]c2c1 ZINC000096132101 208265457 /nfs/dbraw/zinc/26/54/57/208265457.db2.gz LFVJPWQXSXDWGE-UHFFFAOYSA-N 1 2 376.420 2.079 50 0 GEAALO COc1ccccc1-n1nc(CC(N)=O)nc1Cc1ccc2[nH+]c(C)[nH]c2c1 ZINC000096132101 208265468 /nfs/dbraw/zinc/26/54/68/208265468.db2.gz LFVJPWQXSXDWGE-UHFFFAOYSA-N 1 2 376.420 2.079 50 0 GEAALO CCc1cc(C(=O)N2CCC(c3nnc(Cn4cc[nH+]c4)n3CC)CC2)no1 ZINC000096137707 208268880 /nfs/dbraw/zinc/26/88/80/208268880.db2.gz VCQOJWCDIOQBMS-UHFFFAOYSA-N 1 2 383.456 2.113 50 0 GEAALO CCn1c(Cn2cc[nH+]c2)nnc1C1CCN(C(=O)c2cncc(F)c2)CC1 ZINC000096162804 208281837 /nfs/dbraw/zinc/28/18/37/208281837.db2.gz VVZLJMGLVSMHDN-UHFFFAOYSA-N 1 2 383.431 2.097 50 0 GEAALO CCn1c(C[NH+]2CCCC2)nnc1C1CCN(C(=O)c2cncnc2C)CC1 ZINC000096166169 208284496 /nfs/dbraw/zinc/28/44/96/208284496.db2.gz JRXNFIKZBFXPGO-UHFFFAOYSA-N 1 2 383.500 2.012 50 0 GEAALO COCCCNC(=O)[C@H](C1CCCC1)[NH+]1CCN(C(=O)C2CCCC2)CC1 ZINC000096280281 208301596 /nfs/dbraw/zinc/30/15/96/208301596.db2.gz LJCGSZIMWQOUKZ-IBGZPJMESA-N 1 2 379.545 2.032 50 0 GEAALO CCNC(=O)C[NH+]1CCN([C@H](C)c2nnn(-c3cccc(Cl)c3)c2C)CC1 ZINC000097102055 208337107 /nfs/dbraw/zinc/33/71/07/208337107.db2.gz TWGGXQCYZLPXPO-CQSZACIVSA-N 1 2 390.919 2.044 50 0 GEAALO CCSc1ccccc1NC(=O)N1CCN(CC[NH+]2CCOCC2)CC1 ZINC000097743082 208361313 /nfs/dbraw/zinc/36/13/13/208361313.db2.gz PGUPXQVOYTUANF-UHFFFAOYSA-N 1 2 378.542 2.280 50 0 GEAALO CCSc1ccccc1NC(=O)N1CC[NH+](CCN2CCOCC2)CC1 ZINC000097743082 208361319 /nfs/dbraw/zinc/36/13/19/208361319.db2.gz PGUPXQVOYTUANF-UHFFFAOYSA-N 1 2 378.542 2.280 50 0 GEAALO C[NH+](C)c1ccc(N[C@H]2CC(=O)N(c3ccc(N4CCOCC4)cc3)C2=O)cc1 ZINC000101129480 208387495 /nfs/dbraw/zinc/38/74/95/208387495.db2.gz YVGJFWWFKFMIQK-FQEVSTJZSA-N 1 2 394.475 2.333 50 0 GEAALO CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)C[N@@H+]1C[C@@H]2CCC[C@H]21 ZINC000230172180 209005585 /nfs/dbraw/zinc/00/55/85/209005585.db2.gz FRUKEBIQSDHFAT-NWDGAFQWSA-N 1 2 379.482 2.016 50 0 GEAALO CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)C[N@H+]1C[C@@H]2CCC[C@H]21 ZINC000230172180 209005588 /nfs/dbraw/zinc/00/55/88/209005588.db2.gz FRUKEBIQSDHFAT-NWDGAFQWSA-N 1 2 379.482 2.016 50 0 GEAALO CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1Cc1cccc(Br)n1 ZINC000328593247 209094968 /nfs/dbraw/zinc/09/49/68/209094968.db2.gz DZVMCCLOAPFXND-ZDUSSCGKSA-N 1 2 376.320 2.138 50 0 GEAALO CS(=O)(=O)NCC[C@@H]1CCCC[N@H+]1Cc1cccc(Br)n1 ZINC000328593247 209094973 /nfs/dbraw/zinc/09/49/73/209094973.db2.gz DZVMCCLOAPFXND-ZDUSSCGKSA-N 1 2 376.320 2.138 50 0 GEAALO COc1ccc([C@@H](NC(=O)c2ccc(S(C)(=O)=O)cc2)c2[nH+]ccn2C)cc1 ZINC000016474463 221363637 /nfs/dbraw/zinc/36/36/37/221363637.db2.gz HVYAVVSKNQRITN-GOSISDBHSA-N 1 2 399.472 2.352 50 0 GEAALO O=C(Nc1nc(C(=O)N2CCN(c3cccc[nH+]3)CC2)co1)c1ccccc1 ZINC000062023006 136156417 /nfs/dbraw/zinc/15/64/17/136156417.db2.gz NUNKZXQEOMSKLI-UHFFFAOYSA-N 1 2 377.404 2.284 50 0 GEAALO O=C(Nc1ccsc1C(=O)N1CCN(c2cccc[nH+]2)CC1)c1cnccn1 ZINC000067335840 136164703 /nfs/dbraw/zinc/16/47/03/136164703.db2.gz QPGHXZGYOARHMS-UHFFFAOYSA-N 1 2 394.460 2.148 50 0 GEAALO COc1cccc2sc(N(C)CC(=O)N3CCN(c4cccc[nH+]4)CC3)nc21 ZINC000070973417 136165298 /nfs/dbraw/zinc/16/52/98/136165298.db2.gz QYRLHWSJGGMZBJ-UHFFFAOYSA-N 1 2 397.504 2.485 50 0 GEAALO Cc1ccc(N2CCN(C(=O)[C@@H]3CCCN(c4cccc[nH+]4)C3)CC2=O)cc1 ZINC000082137367 136174046 /nfs/dbraw/zinc/17/40/46/136174046.db2.gz CEWJEQSEFXEDOA-GOSISDBHSA-N 1 2 378.476 2.482 50 0 GEAALO O=C1C[C@@H]([NH+]2CCN(c3ccccc3O)CC2)C(=O)N1c1cccc(Cl)c1 ZINC000085959521 136175420 /nfs/dbraw/zinc/17/54/20/136175420.db2.gz FQWAEFIWHHTROB-QGZVFWFLSA-N 1 2 385.851 2.500 50 0 GEAALO C[C@@H]1CN(c2[nH+]cnc3c2cnn3CCNC(=O)c2ccc(F)cc2)C[C@H](C)O1 ZINC000013037074 136200834 /nfs/dbraw/zinc/20/08/34/136200834.db2.gz SDAOSCGRYBGPHD-OKILXGFUSA-N 1 2 398.442 2.009 50 0 GEAALO C[C@H](NC(=O)C1([NH+]2CCOCC2)CCCCC1)c1nc(-c2ccncc2)no1 ZINC000299774042 209086925 /nfs/dbraw/zinc/08/69/25/209086925.db2.gz FEQRZHXLBZMSTH-HNNXBMFYSA-N 1 2 385.468 2.344 50 0 GEAALO C[C@H](C(=O)Nc1cc(Cl)ccc1F)[NH+]1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000072308911 222223103 /nfs/dbraw/zinc/22/31/03/222223103.db2.gz LPVAEIYQCVKCLW-MLCYQJTMSA-N 1 2 396.850 2.116 50 0 GEAALO Cc1cc(Cl)ccc1OCC[NH+]1CCN(C(=O)NCc2ncc[nH]2)CC1 ZINC000426612671 533791914 /nfs/dbraw/zinc/79/19/14/533791914.db2.gz KVXKCZOMYMGPTH-UHFFFAOYSA-N 1 2 377.876 2.278 50 0 GEAALO Cc1nc(N2CCC(C(=O)NCc3ccccn3)CC2)cc([C@@H]2CCOC2)[nH+]1 ZINC000426613594 534581653 /nfs/dbraw/zinc/58/16/53/534581653.db2.gz HQRKHFNIOOPAPT-QGZVFWFLSA-N 1 2 381.480 2.217 50 0 GEAALO CC(C)N1C[C@@H](CNC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)CC1=O ZINC000426716233 529092593 /nfs/dbraw/zinc/09/25/93/529092593.db2.gz XFCBEUMHYZZCFZ-AQDCRGGLSA-N 1 2 384.524 2.284 50 0 GEAALO CC(C)N1C[C@H](CNC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)CC1=O ZINC000426716235 529098957 /nfs/dbraw/zinc/09/89/57/529098957.db2.gz XFCBEUMHYZZCFZ-ZGBFETHSSA-N 1 2 384.524 2.284 50 0 GEAALO COc1ccccc1N1CC[NH+]([C@@H]2CC(=O)N(c3ccc(F)cc3)C2=O)CC1 ZINC000084700020 537069270 /nfs/dbraw/zinc/06/92/70/537069270.db2.gz BKRZKHSGHOUBDR-GOSISDBHSA-N 1 2 383.423 2.288 50 0 GEAALO Cc1cccc2c(=O)n(CC(=O)Nc3cccc(C[NH+]4CCOCC4)c3)cnc12 ZINC000048302679 570234903 /nfs/dbraw/zinc/23/49/03/570234903.db2.gz NRCWKSZVNGBGPR-UHFFFAOYSA-N 1 2 392.459 2.176 50 0 GEAALO CCCCCCN(CC[NH+]1CCOCC1)C(=O)CNC(=O)Cc1ccccc1 ZINC000048325538 570236094 /nfs/dbraw/zinc/23/60/94/570236094.db2.gz CTJXRTDTMORENP-UHFFFAOYSA-N 1 2 389.540 2.086 50 0 GEAALO CCOC(=O)c1c(=O)[nH]c2cc(Cl)ccc2c1NCC[NH+]1CCOCC1 ZINC000049001528 570255964 /nfs/dbraw/zinc/25/59/64/570255964.db2.gz WKAKNKOIRJLKGI-UHFFFAOYSA-N 1 2 379.844 2.102 50 0 GEAALO Cc1[nH]c2ccccc2c1CCNC(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000106338101 570261266 /nfs/dbraw/zinc/26/12/66/570261266.db2.gz IWQMRAYBEQSMQJ-UHFFFAOYSA-N 1 2 380.496 2.280 50 0 GEAALO COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CC[N@H+]1CC(=O)NC1CCCC1 ZINC000049092824 570262480 /nfs/dbraw/zinc/26/24/80/570262480.db2.gz QNKDJFVIIBJBQL-KRWDZBQOSA-N 1 2 390.480 2.225 50 0 GEAALO COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1CC(=O)NC1CCCC1 ZINC000049092824 570262482 /nfs/dbraw/zinc/26/24/82/570262482.db2.gz QNKDJFVIIBJBQL-KRWDZBQOSA-N 1 2 390.480 2.225 50 0 GEAALO C[C@@H](NC(=O)C[NH+]1CCN(c2ncccn2)CC1)c1ccc2c(c1)CCCC2 ZINC000012860911 570267947 /nfs/dbraw/zinc/26/79/47/570267947.db2.gz NGHXIFHNOODJSI-QGZVFWFLSA-N 1 2 379.508 2.355 50 0 GEAALO CN(C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1)C1CCS(=O)(=O)CC1 ZINC000584903613 570274268 /nfs/dbraw/zinc/27/42/68/570274268.db2.gz CKTGJZBRYGGRSE-KRWDZBQOSA-N 1 2 397.516 2.009 50 0 GEAALO CN(C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1)C1CCS(=O)(=O)CC1 ZINC000584903613 570274270 /nfs/dbraw/zinc/27/42/70/570274270.db2.gz CKTGJZBRYGGRSE-KRWDZBQOSA-N 1 2 397.516 2.009 50 0 GEAALO COc1ccc(CCC(=O)NCCn2ncc3c2nc[nH+]c3N2CCCC2)cc1 ZINC000011665996 570284496 /nfs/dbraw/zinc/28/44/96/570284496.db2.gz CPVWNZCWMJUCRH-UHFFFAOYSA-N 1 2 394.479 2.184 50 0 GEAALO c1c(C[NH+]2CC(N3CCOCC3)C2)c(-c2ccncc2)nn1-c1ccccc1 ZINC000215294852 570286851 /nfs/dbraw/zinc/28/68/51/570286851.db2.gz ABXCOJJGIXJMSB-UHFFFAOYSA-N 1 2 375.476 2.451 50 0 GEAALO CC[N@H+](CC(=O)NCc1ccc(F)cc1)CC(=O)Nc1ccc2c(c1)OCO2 ZINC000014242880 570303786 /nfs/dbraw/zinc/30/37/86/570303786.db2.gz JICAFADEEXTDHV-UHFFFAOYSA-N 1 2 387.411 2.131 50 0 GEAALO CC[N@@H+](CC(=O)NCc1ccc(F)cc1)CC(=O)Nc1ccc2c(c1)OCO2 ZINC000014242880 570303788 /nfs/dbraw/zinc/30/37/88/570303788.db2.gz JICAFADEEXTDHV-UHFFFAOYSA-N 1 2 387.411 2.131 50 0 GEAALO O=C(C[NH+]1CCN(c2ccccc2F)CC1)Nc1ccc(N2CCOCC2)cc1 ZINC000055564302 570351529 /nfs/dbraw/zinc/35/15/29/570351529.db2.gz BKZFNLVCGXHLJM-UHFFFAOYSA-N 1 2 398.482 2.423 50 0 GEAALO Cc1onc(-c2cccc(Br)c2)c1C(=O)NCC[NH+]1CCOCC1 ZINC000035536460 570390637 /nfs/dbraw/zinc/39/06/37/570390637.db2.gz URPXLYUPOGNFGI-UHFFFAOYSA-N 1 2 394.269 2.475 50 0 GEAALO CC1=[NH+]N(Cc2cccc(Cl)c2)c2nc3c(c(=O)n(C)c(=O)n3C)n2[C@@H]1C ZINC000005148016 570427341 /nfs/dbraw/zinc/42/73/41/570427341.db2.gz WJLJRHVCXBCCDI-LLVKDONJSA-N 1 2 386.843 2.044 50 0 GEAALO C[C@@H]1CN(c2ccc(CNC(=O)[C@H]3Oc4ccccc4O[C@@H]3C)c[nH+]2)CCO1 ZINC000248012443 570435063 /nfs/dbraw/zinc/43/50/63/570435063.db2.gz JKOYUJCDAJKQPJ-SXGZJXTBSA-N 1 2 383.448 2.151 50 0 GEAALO CS(=O)(=O)NC1CC[NH+]([C@H](C(=O)Nc2ccccc2)c2ccccc2)CC1 ZINC000054146590 570450408 /nfs/dbraw/zinc/45/04/08/570450408.db2.gz VMIHFUKJFVNPEJ-IBGZPJMESA-N 1 2 387.505 2.380 50 0 GEAALO COc1cc2nc(C[N@H+](C)C[C@H]3COc4ccccc4O3)[nH]c(=O)c2cc1OC ZINC000016628459 570455450 /nfs/dbraw/zinc/45/54/50/570455450.db2.gz SJYQIGWVIRTLLW-ZDUSSCGKSA-N 1 2 397.431 2.212 50 0 GEAALO COc1cc2nc(C[N@@H+](C)C[C@H]3COc4ccccc4O3)[nH]c(=O)c2cc1OC ZINC000016628459 570455453 /nfs/dbraw/zinc/45/54/53/570455453.db2.gz SJYQIGWVIRTLLW-ZDUSSCGKSA-N 1 2 397.431 2.212 50 0 GEAALO O=C(NCC[NH+]1CCN(c2ncnc3sc4c(c32)CCC4)CC1)c1ccco1 ZINC000006585169 570485624 /nfs/dbraw/zinc/48/56/24/570485624.db2.gz ZDHSIRISRVXVHJ-UHFFFAOYSA-N 1 2 397.504 2.325 50 0 GEAALO CCOC(=O)C1C(=O)C(=O)N(CCCn2cc[nH+]c2)[C@@H]1c1ccc(OC)cc1 ZINC000006693693 570538201 /nfs/dbraw/zinc/53/82/01/570538201.db2.gz QWOZSMMXCMQCTJ-QGZVFWFLSA-N 1 2 385.420 2.241 50 0 GEAALO C[NH+]1CCN(S(=O)(=O)c2ccc(SCc3ccc(F)cc3)nc2)CC1 ZINC000034886344 570546165 /nfs/dbraw/zinc/54/61/65/570546165.db2.gz NZIQVUVVDSEWFE-UHFFFAOYSA-N 1 2 381.498 2.449 50 0 GEAALO C[C@H]1CCCc2sc3nc(SCC[NH+]4CCOCC4)n(N)c(=O)c3c21 ZINC000036646180 570567628 /nfs/dbraw/zinc/56/76/28/570567628.db2.gz HAAINQLXPPJNMP-NSHDSACASA-N 1 2 380.539 2.036 50 0 GEAALO COc1ccc(C(=O)N2CCN(c3cc(N4CCCC4)[nH+]cn3)CC2)cc1OC ZINC000038528188 570579948 /nfs/dbraw/zinc/57/99/48/570579948.db2.gz MWVBVQSWJFDJGR-UHFFFAOYSA-N 1 2 397.479 2.056 50 0 GEAALO COc1ccc(C(=O)N2CCN(c3cc(N4CCCC4)nc[nH+]3)CC2)cc1OC ZINC000038528188 570579952 /nfs/dbraw/zinc/57/99/52/570579952.db2.gz MWVBVQSWJFDJGR-UHFFFAOYSA-N 1 2 397.479 2.056 50 0 GEAALO O=C(C[C@H]1C(=O)NCC[N@H+]1Cc1ccccc1)NC1C2CC3CC(C2)CC1C3 ZINC000011772532 570582070 /nfs/dbraw/zinc/58/20/70/570582070.db2.gz OEIVNFLCPDTIAS-BSLXTEBSSA-N 1 2 381.520 2.318 50 0 GEAALO O=C(C[C@H]1C(=O)NCC[N@@H+]1Cc1ccccc1)NC1C2CC3CC(C2)CC1C3 ZINC000011772532 570582071 /nfs/dbraw/zinc/58/20/71/570582071.db2.gz OEIVNFLCPDTIAS-BSLXTEBSSA-N 1 2 381.520 2.318 50 0 GEAALO OCCOc1cccc(C[N@@H+]2CCN(Cc3cccs3)[C@H](CCO)C2)c1 ZINC000039442017 570591515 /nfs/dbraw/zinc/59/15/15/570591515.db2.gz QOQBWOCOOISTOJ-GOSISDBHSA-N 1 2 376.522 2.188 50 0 GEAALO OCCOc1cccc(C[N@H+]2CCN(Cc3cccs3)[C@H](CCO)C2)c1 ZINC000039442017 570591518 /nfs/dbraw/zinc/59/15/18/570591518.db2.gz QOQBWOCOOISTOJ-GOSISDBHSA-N 1 2 376.522 2.188 50 0 GEAALO CCS(=O)(=O)c1ncc(CN(C)Cc2[nH]cc(C)[nH+]2)n1Cc1ccccc1 ZINC000012434244 570661601 /nfs/dbraw/zinc/66/16/01/570661601.db2.gz AHOLKRSIRGUVMJ-UHFFFAOYSA-N 1 2 387.509 2.389 50 0 GEAALO O=C(C[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(-c2ccccc2)cc1)N1CCCO1 ZINC000012593550 570688233 /nfs/dbraw/zinc/68/82/33/570688233.db2.gz OUMGIKCKRYTCHX-HXUWFJFHSA-N 1 2 379.460 2.208 50 0 GEAALO O=C(C[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(-c2ccccc2)cc1)N1CCCO1 ZINC000012593550 570688238 /nfs/dbraw/zinc/68/82/38/570688238.db2.gz OUMGIKCKRYTCHX-HXUWFJFHSA-N 1 2 379.460 2.208 50 0 GEAALO O=C(CCS(=O)(=O)C1CCCC1)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000058179977 570716955 /nfs/dbraw/zinc/71/69/55/570716955.db2.gz AAFGDMMWTYHCEM-UHFFFAOYSA-N 1 2 379.457 2.375 50 0 GEAALO CCNC(=O)C[N@@H+]1CCCN(C(=O)COc2cc(Cl)ccc2Cl)CC1 ZINC000060093139 570740428 /nfs/dbraw/zinc/74/04/28/570740428.db2.gz QFHBRPOOTMYGBJ-UHFFFAOYSA-N 1 2 388.295 2.043 50 0 GEAALO CCNC(=O)C[N@H+]1CCCN(C(=O)COc2cc(Cl)ccc2Cl)CC1 ZINC000060093139 570740429 /nfs/dbraw/zinc/74/04/29/570740429.db2.gz QFHBRPOOTMYGBJ-UHFFFAOYSA-N 1 2 388.295 2.043 50 0 GEAALO Cc1c(S(=O)(=O)N2CC[NH+](Cc3ccc(C)cc3)CC2)cnn1C(F)F ZINC000036614470 570758519 /nfs/dbraw/zinc/75/85/19/570758519.db2.gz DRYBAMPDLPGBCD-UHFFFAOYSA-N 1 2 384.452 2.402 50 0 GEAALO Cc1nc(CN(C)C(=O)c2cc3n(n2)CCC[N@H+](Cc2ccccc2)C3)no1 ZINC000065534590 570772748 /nfs/dbraw/zinc/77/27/48/570772748.db2.gz AIFJFIUXVAQHNO-UHFFFAOYSA-N 1 2 380.452 2.253 50 0 GEAALO Cc1nc(CN(C)C(=O)c2cc3n(n2)CCC[N@@H+](Cc2ccccc2)C3)no1 ZINC000065534590 570772752 /nfs/dbraw/zinc/77/27/52/570772752.db2.gz AIFJFIUXVAQHNO-UHFFFAOYSA-N 1 2 380.452 2.253 50 0 GEAALO Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2C)cc1 ZINC000013682169 570773622 /nfs/dbraw/zinc/77/36/22/570773622.db2.gz YAGBKGTVYCYXKQ-UHFFFAOYSA-N 1 2 387.505 2.492 50 0 GEAALO O=C(Cc1ccc(Cl)cc1)N1CCN(c2cc(-n3cc[nH+]c3)ncn2)CC1 ZINC000067603574 570782686 /nfs/dbraw/zinc/78/26/86/570782686.db2.gz CHHGQKLDZOXGLX-UHFFFAOYSA-N 1 2 382.855 2.207 50 0 GEAALO CCN(Cc1[nH+]ccn1C)C(=O)c1ccc(N(C)Cc2cnn(C)c2C)nc1 ZINC000067642756 570784287 /nfs/dbraw/zinc/78/42/87/570784287.db2.gz GTPOALYLQMICSN-UHFFFAOYSA-N 1 2 381.484 2.156 50 0 GEAALO COc1ccc(Cn2ncc3c2NC(=O)C[C@H]3c2[nH]c[nH+]c2C)c(OC)c1OC ZINC000067755322 570789765 /nfs/dbraw/zinc/78/97/65/570789765.db2.gz JUVVAYZAJXOMDA-CYBMUJFWSA-N 1 2 397.435 2.463 50 0 GEAALO CN(Cc1ccoc1)C(=O)[C@@H]1C[C@H](NC(=O)Cc2ccc(Cl)cc2)C[N@@H+]1C ZINC000067789960 570791154 /nfs/dbraw/zinc/79/11/54/570791154.db2.gz WNUKBVMPCDGEOV-ROUUACIJSA-N 1 2 389.883 2.323 50 0 GEAALO CN(Cc1ccoc1)C(=O)[C@@H]1C[C@H](NC(=O)Cc2ccc(Cl)cc2)C[N@H+]1C ZINC000067789960 570791157 /nfs/dbraw/zinc/79/11/57/570791157.db2.gz WNUKBVMPCDGEOV-ROUUACIJSA-N 1 2 389.883 2.323 50 0 GEAALO COc1ccc(OCc2cc(C(=O)NCCc3c[nH+]c[nH]3)[nH]n2)c(Cl)c1 ZINC000067947300 570798069 /nfs/dbraw/zinc/79/80/69/570798069.db2.gz LFCGINWJLQGJHY-UHFFFAOYSA-N 1 2 375.816 2.346 50 0 GEAALO COc1ccc(OCc2cc(C(=O)NCCc3c[nH]c[nH+]3)[nH]n2)c(Cl)c1 ZINC000067947300 570798074 /nfs/dbraw/zinc/79/80/74/570798074.db2.gz LFCGINWJLQGJHY-UHFFFAOYSA-N 1 2 375.816 2.346 50 0 GEAALO CCc1ccc2oc(=O)cc(CN3CC[NH+](CC(=O)N4CCCCC4)CC3)c2c1 ZINC000033088049 570807285 /nfs/dbraw/zinc/80/72/85/570807285.db2.gz YTAIGSXMUGFIHB-UHFFFAOYSA-N 1 2 397.519 2.486 50 0 GEAALO CCc1ccc2oc(=O)cc(C[NH+]3CCN(CC(=O)N4CCCCC4)CC3)c2c1 ZINC000033088049 570807287 /nfs/dbraw/zinc/80/72/87/570807287.db2.gz YTAIGSXMUGFIHB-UHFFFAOYSA-N 1 2 397.519 2.486 50 0 GEAALO Cc1ccc2[nH+]c(CN3C(=O)N[C@](C)(c4ccc5c(c4)OCCO5)C3=O)cn2c1 ZINC000012507068 570822740 /nfs/dbraw/zinc/82/27/40/570822740.db2.gz WQQGPQCQPMZDOD-OAQYLSRUSA-N 1 2 392.415 2.381 50 0 GEAALO CC[C@@H]1C[N@H+](Cc2cc(=O)n3[nH]c(C)cc3n2)CCC(=O)N1Cc1ccccc1 ZINC000071575288 570840869 /nfs/dbraw/zinc/84/08/69/570840869.db2.gz LFUHJEIPBZDLFL-LJQANCHMSA-N 1 2 393.491 2.344 50 0 GEAALO CC[C@@H]1C[N@@H+](Cc2cc(=O)n3[nH]c(C)cc3n2)CCC(=O)N1Cc1ccccc1 ZINC000071575288 570840871 /nfs/dbraw/zinc/84/08/71/570840871.db2.gz LFUHJEIPBZDLFL-LJQANCHMSA-N 1 2 393.491 2.344 50 0 GEAALO COc1ccc(C)cc1NC(=O)C(=O)NCC1CCN(c2cccc[nH+]2)CC1 ZINC000043941382 570842052 /nfs/dbraw/zinc/84/20/52/570842052.db2.gz QDUUBBZLMPHONW-UHFFFAOYSA-N 1 2 382.464 2.370 50 0 GEAALO COCCNc1[nH+]c2cc(C(=O)N3CCO[C@@H](C(F)(F)F)C3)ccc2n1C ZINC000071757157 570848618 /nfs/dbraw/zinc/84/86/18/570848618.db2.gz YBBQYWZZBHIADF-CQSZACIVSA-N 1 2 386.374 2.035 50 0 GEAALO O=C(N[C@@H](C[NH+]1CCOCC1)c1ccccc1)c1ccc2c(c1)CCC(=O)N2 ZINC000032842959 570851188 /nfs/dbraw/zinc/85/11/88/570851188.db2.gz WPVDWMLTVZJDNX-FQEVSTJZSA-N 1 2 379.460 2.375 50 0 GEAALO CC(C)[N@@H+]1CCO[C@H](COC(=O)CCC(=O)c2ccc3c(c2)OCCO3)C1 ZINC000170600097 570858643 /nfs/dbraw/zinc/85/86/43/570858643.db2.gz UYQZXHKFXKIITJ-INIZCTEOSA-N 1 2 377.437 2.073 50 0 GEAALO CC(C)[N@H+]1CCO[C@H](COC(=O)CCC(=O)c2ccc3c(c2)OCCO3)C1 ZINC000170600097 570858646 /nfs/dbraw/zinc/85/86/46/570858646.db2.gz UYQZXHKFXKIITJ-INIZCTEOSA-N 1 2 377.437 2.073 50 0 GEAALO CN(C(=O)C[NH+]1CCC(NS(=O)(=O)c2cccs2)CC1)c1ccccc1 ZINC000032865323 570862487 /nfs/dbraw/zinc/86/24/87/570862487.db2.gz CKQNWLDDNCPEDH-UHFFFAOYSA-N 1 2 393.534 2.154 50 0 GEAALO CC[NH+]1CCN(C(=O)c2nc(-c3ccnc(N4CCCCCC4)c3)no2)CC1 ZINC000065246046 570863957 /nfs/dbraw/zinc/86/39/57/570863957.db2.gz CPARLZPTZFRIQK-UHFFFAOYSA-N 1 2 384.484 2.290 50 0 GEAALO CC(C)N(Cc1cccnc1)C(=O)C[C@@H]1C(=O)NCC[N@H+]1Cc1ccccc1 ZINC000072129349 570868159 /nfs/dbraw/zinc/86/81/59/570868159.db2.gz HKPDTJRNLUFBJH-HXUWFJFHSA-N 1 2 380.492 2.209 50 0 GEAALO CC(C)N(Cc1cccnc1)C(=O)C[C@@H]1C(=O)NCC[N@@H+]1Cc1ccccc1 ZINC000072129349 570868162 /nfs/dbraw/zinc/86/81/62/570868162.db2.gz HKPDTJRNLUFBJH-HXUWFJFHSA-N 1 2 380.492 2.209 50 0 GEAALO COc1cccc(NC(=O)N2CCN(c3cc(-n4cccn4)nc(C)[nH+]3)CC2)c1 ZINC000072139239 570869768 /nfs/dbraw/zinc/86/97/68/570869768.db2.gz FJCUHYIVNPVHCR-UHFFFAOYSA-N 1 2 393.451 2.333 50 0 GEAALO CNS(=O)(=O)c1ccc(CN2CC[NH+](Cc3cccc(F)c3)CC2)cc1 ZINC000072156219 570874342 /nfs/dbraw/zinc/87/43/42/570874342.db2.gz BDWWYAROFRLXKF-UHFFFAOYSA-N 1 2 377.485 2.052 50 0 GEAALO CNS(=O)(=O)c1ccc(C[NH+]2CCN(Cc3cccc(F)c3)CC2)cc1 ZINC000072156219 570874344 /nfs/dbraw/zinc/87/43/44/570874344.db2.gz BDWWYAROFRLXKF-UHFFFAOYSA-N 1 2 377.485 2.052 50 0 GEAALO CC(C)[C@@H]1CN(C(=O)c2csc(C[NH+](C)C)n2)CCC(=O)N1CC1CC1 ZINC000072154730 570874579 /nfs/dbraw/zinc/87/45/79/570874579.db2.gz FDICPWKCNSIKGC-INIZCTEOSA-N 1 2 378.542 2.314 50 0 GEAALO O=C1N(CC2CCCCC2)CCC[C@]1(O)C[NH2+]Cc1nnc(-c2ccccc2)[nH]1 ZINC000015062075 570874738 /nfs/dbraw/zinc/87/47/38/570874738.db2.gz DHJQNQHLJGPYEG-QFIPXVFZSA-N 1 2 397.523 2.495 50 0 GEAALO O=C1N(CC2CCCCC2)CCC[C@]1(O)C[NH2+]Cc1nc(-c2ccccc2)n[nH]1 ZINC000015062075 570874741 /nfs/dbraw/zinc/87/47/41/570874741.db2.gz DHJQNQHLJGPYEG-QFIPXVFZSA-N 1 2 397.523 2.495 50 0 GEAALO COc1ccc(C[N@@H+]2CCN(C(=O)c3ccc(O)cc3)C[C@H]2CCO)c(F)c1 ZINC000072476886 570882278 /nfs/dbraw/zinc/88/22/78/570882278.db2.gz ARRZQMWMEYDEIZ-QGZVFWFLSA-N 1 2 388.439 2.249 50 0 GEAALO COc1ccc(C[N@H+]2CCN(C(=O)c3ccc(O)cc3)C[C@H]2CCO)c(F)c1 ZINC000072476886 570882279 /nfs/dbraw/zinc/88/22/79/570882279.db2.gz ARRZQMWMEYDEIZ-QGZVFWFLSA-N 1 2 388.439 2.249 50 0 GEAALO O=C(CCOc1ccccc1)N1CCC[C@@H](C(=O)NCCCn2cc[nH+]c2)C1 ZINC000072272872 570914365 /nfs/dbraw/zinc/91/43/65/570914365.db2.gz ITSQZZADZXSRNP-GOSISDBHSA-N 1 2 384.480 2.097 50 0 GEAALO CCCC[C@@H](CC)CNC(=O)COCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000004739546 570953784 /nfs/dbraw/zinc/95/37/84/570953784.db2.gz QZEXSPKTMARNNL-GOSISDBHSA-N 1 2 390.528 2.079 50 0 GEAALO O=C(c1ccco1)N1CCC[N@@H+]([C@@H]2CCN(Cc3ccc(F)cc3)C2=O)CC1 ZINC000065293279 570959392 /nfs/dbraw/zinc/95/93/92/570959392.db2.gz FDOVOAAGRODEQA-GOSISDBHSA-N 1 2 385.439 2.368 50 0 GEAALO O=C(c1ccco1)N1CCC[N@H+]([C@@H]2CCN(Cc3ccc(F)cc3)C2=O)CC1 ZINC000065293279 570959393 /nfs/dbraw/zinc/95/93/93/570959393.db2.gz FDOVOAAGRODEQA-GOSISDBHSA-N 1 2 385.439 2.368 50 0 GEAALO Cc1cc(S(=O)(=O)N2CC[NH+](C[C@H](O)Cc3ccccc3)CC2)c(C)s1 ZINC000195137007 570963100 /nfs/dbraw/zinc/96/31/00/570963100.db2.gz PXDKMSQEBGOSPG-GOSISDBHSA-N 1 2 394.562 2.275 50 0 GEAALO C[C@H](c1nc(C2CC2)no1)N1CC[NH+](CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000106627174 570966449 /nfs/dbraw/zinc/96/64/49/570966449.db2.gz MZFQBOILEHQWEP-BZUAXINKSA-N 1 2 375.517 2.130 50 0 GEAALO Cc1ccc(S(=O)(=O)N2CC[N@@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)c(C)c1 ZINC000107154384 570971771 /nfs/dbraw/zinc/97/17/71/570971771.db2.gz ZDVYKUAWQXPUNH-MRXNPFEDSA-N 1 2 397.541 2.133 50 0 GEAALO Cc1ccc(S(=O)(=O)N2CC[N@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)c(C)c1 ZINC000107154384 570971775 /nfs/dbraw/zinc/97/17/75/570971775.db2.gz ZDVYKUAWQXPUNH-MRXNPFEDSA-N 1 2 397.541 2.133 50 0 GEAALO COc1cc2c(c(OC)c1OC)CC[N@H+](CC(=O)N(C)c1nccs1)CC2 ZINC000083869863 570974190 /nfs/dbraw/zinc/97/41/90/570974190.db2.gz JSEDWPOZJVVXGR-UHFFFAOYSA-N 1 2 391.493 2.233 50 0 GEAALO COc1cc2c(c(OC)c1OC)CC[N@@H+](CC(=O)N(C)c1nccs1)CC2 ZINC000083869863 570974191 /nfs/dbraw/zinc/97/41/91/570974191.db2.gz JSEDWPOZJVVXGR-UHFFFAOYSA-N 1 2 391.493 2.233 50 0 GEAALO O=C(c1ccccc1C[NH+]1CCOCC1)N1CCC(OC[C@H]2CCCO2)CC1 ZINC000170656005 571000672 /nfs/dbraw/zinc/00/06/72/571000672.db2.gz QXIZVEAERSHFOS-HXUWFJFHSA-N 1 2 388.508 2.319 50 0 GEAALO O=C(C[NH+]1CCC(NC(=O)c2ccc3c(c2)OCCO3)CC1)Nc1ccccc1 ZINC000012759922 571008642 /nfs/dbraw/zinc/00/86/42/571008642.db2.gz MDXUPCXKSQAKGG-UHFFFAOYSA-N 1 2 395.459 2.291 50 0 GEAALO O=C(C[N@@H+]1CCCN(C(=O)c2ccncc2)CC1)N(Cc1cccs1)C1CC1 ZINC000084442224 571018259 /nfs/dbraw/zinc/01/82/59/571018259.db2.gz XTDOLZUUPCWEGQ-UHFFFAOYSA-N 1 2 398.532 2.482 50 0 GEAALO O=C(C[N@H+]1CCCN(C(=O)c2ccncc2)CC1)N(Cc1cccs1)C1CC1 ZINC000084442224 571018262 /nfs/dbraw/zinc/01/82/62/571018262.db2.gz XTDOLZUUPCWEGQ-UHFFFAOYSA-N 1 2 398.532 2.482 50 0 GEAALO COc1ccc(S(=O)(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)cc1 ZINC000012768451 571020570 /nfs/dbraw/zinc/02/05/70/571020570.db2.gz HJIXJCNUVJWZJD-UHFFFAOYSA-N 1 2 388.489 2.137 50 0 GEAALO O=S(=O)(c1ccc2oc(=S)n(C[NH+]3CCCC3)c2c1)N1CCOCC1 ZINC000003369228 642322188 /nfs/dbraw/zinc/32/21/88/642322188.db2.gz FCMOHENOXKRCEB-UHFFFAOYSA-N 1 2 383.495 2.038 50 0 GEAALO Cc1ccc(OCC(=O)NCC(C)(C)[NH+]2CCOCC2)c(Br)c1 ZINC000039984927 642519828 /nfs/dbraw/zinc/51/98/28/642519828.db2.gz UUEWPTCLZUOMQK-UHFFFAOYSA-N 1 2 385.302 2.363 50 0 GEAALO COc1ccc(Br)cc1CN1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000039987608 642519901 /nfs/dbraw/zinc/51/99/01/642519901.db2.gz OWMWVWJDMOGEFC-UHFFFAOYSA-N 1 2 396.329 2.198 50 0 GEAALO O=C(NCc1cc(Br)c2c(c1)OCCO2)[C@H]1CCn2c[nH+]cc2C1 ZINC000095972830 643089541 /nfs/dbraw/zinc/08/95/41/643089541.db2.gz WERCBIKPUHHBLQ-LBPRGKRZSA-N 1 2 392.253 2.296 50 0 GEAALO Cc1cccc2[nH+]c(CNC(=O)N3CCC([C@@H](O)c4nccn4C)CC3)cn21 ZINC000158699492 231026510 /nfs/dbraw/zinc/02/65/10/231026510.db2.gz DBKRNXRSHVAKMG-GOSISDBHSA-N 1 2 382.468 2.031 50 0 GEAALO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccc(CS(C)(=O)=O)o1 ZINC000241719837 231038664 /nfs/dbraw/zinc/03/86/64/231038664.db2.gz QQAXJQJSDKUCMC-RHSMWYFYSA-N 1 2 376.478 2.075 50 0 GEAALO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccc(CS(C)(=O)=O)o1 ZINC000241719837 231038668 /nfs/dbraw/zinc/03/86/68/231038668.db2.gz QQAXJQJSDKUCMC-RHSMWYFYSA-N 1 2 376.478 2.075 50 0 GEAALO Cc1cccnc1C[NH+]1CCN(C(=O)NCCc2cn3ccsc3n2)CC1 ZINC000426658225 231249250 /nfs/dbraw/zinc/24/92/50/231249250.db2.gz LVUDILSUALHZPZ-UHFFFAOYSA-N 1 2 384.509 2.169 50 0 GEAALO O=C(CCc1cccc(Cl)c1)NC1CC[NH+]([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000390832530 532706507 /nfs/dbraw/zinc/70/65/07/532706507.db2.gz ZZTUWOSGAYGCTA-QGZVFWFLSA-N 1 2 384.929 2.040 50 0 GEAALO O=C(c1cnc(O[C@H]2CCOC2)c(Cl)c1)N1CCN(c2cccc[nH+]2)CC1 ZINC000253403009 206282668 /nfs/dbraw/zinc/28/26/68/206282668.db2.gz PGTXEPQFCSYEBH-HNNXBMFYSA-N 1 2 388.855 2.260 50 0 GEAALO COc1ccc(N2C(=O)C[C@@H]([N@@H+]3CCc4cc(OC)c(OC)cc4C3)C2=O)cc1 ZINC000007266003 206295561 /nfs/dbraw/zinc/29/55/61/206295561.db2.gz QJWIGCRNPRIDQQ-GOSISDBHSA-N 1 2 396.443 2.403 50 0 GEAALO COc1ccc(N2C(=O)C[C@@H]([N@H+]3CCc4cc(OC)c(OC)cc4C3)C2=O)cc1 ZINC000007266003 206295565 /nfs/dbraw/zinc/29/55/65/206295565.db2.gz QJWIGCRNPRIDQQ-GOSISDBHSA-N 1 2 396.443 2.403 50 0 GEAALO O=C1C[C@H]([NH+]2CCN(c3ccc(O)cc3)CC2)C(=O)N1c1ccc(Cl)cc1 ZINC000005034352 206585885 /nfs/dbraw/zinc/58/58/85/206585885.db2.gz VJVRJUHWOWKTHB-SFHVURJKSA-N 1 2 385.851 2.500 50 0 GEAALO Cc1ccc2c(c1)N(C(=O)CCC(=O)N1CCN(c3cccc[nH+]3)CC1)CCO2 ZINC000006798061 206678305 /nfs/dbraw/zinc/67/83/05/206678305.db2.gz MDPSGTKKFXJHCG-UHFFFAOYSA-N 1 2 394.475 2.244 50 0 GEAALO COc1cc(OC)cc([C@H](NC(=O)c2cc(C(C)=O)c[nH]2)c2[nH+]ccn2C)c1 ZINC000011007589 206820557 /nfs/dbraw/zinc/82/05/57/206820557.db2.gz DOGPNKDEWVKVFH-SFHVURJKSA-N 1 2 382.420 2.487 50 0 GEAALO CN(Cc1ccccc1)c1[nH+]cccc1CNC(=O)C[C@@H]1CCS(=O)(=O)C1 ZINC000011753442 206831048 /nfs/dbraw/zinc/83/10/48/206831048.db2.gz FSUSEBUSXPGQFP-KRWDZBQOSA-N 1 2 387.505 2.159 50 0 GEAALO O=C1C[N@H+](Cc2ccc(OC(F)(F)F)cc2)C[C@@H](O)CN1Cc1cccnc1 ZINC000014535212 207023104 /nfs/dbraw/zinc/02/31/04/207023104.db2.gz HREGIFZXSUOGSN-MRXNPFEDSA-N 1 2 395.381 2.186 50 0 GEAALO O=C1C[N@@H+](Cc2ccc(OC(F)(F)F)cc2)C[C@@H](O)CN1Cc1cccnc1 ZINC000014535212 207023109 /nfs/dbraw/zinc/02/31/09/207023109.db2.gz HREGIFZXSUOGSN-MRXNPFEDSA-N 1 2 395.381 2.186 50 0 GEAALO CCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CC[NH+](Cc1ncc[nH]1)CC2 ZINC000014540047 207023316 /nfs/dbraw/zinc/02/33/16/207023316.db2.gz JZJWENQCQWTHEN-UHFFFAOYSA-N 1 2 393.491 2.196 50 0 GEAALO CCOc1ccccc1C[N@@H+]1CCNC(=O)[C@H]1CC(=O)N(C)Cc1ccc(C)o1 ZINC000014975626 207037664 /nfs/dbraw/zinc/03/76/64/207037664.db2.gz JXMLKMIDVSNYRX-LJQANCHMSA-N 1 2 399.491 2.336 50 0 GEAALO CCOc1ccccc1C[N@H+]1CCNC(=O)[C@H]1CC(=O)N(C)Cc1ccc(C)o1 ZINC000014975626 207037669 /nfs/dbraw/zinc/03/76/69/207037669.db2.gz JXMLKMIDVSNYRX-LJQANCHMSA-N 1 2 399.491 2.336 50 0 GEAALO O=C(NCC[NH+]1CCN(c2ccccc2F)CC1)N[C@H]1COc2ccccc2C1 ZINC000015787285 207062797 /nfs/dbraw/zinc/06/27/97/207062797.db2.gz PFMQISLAPNXWIZ-GOSISDBHSA-N 1 2 398.482 2.251 50 0 GEAALO COc1ccc(N2C(=O)C[C@H]([NH+]3CCN(c4ccc(F)cc4)CC3)C2=O)cc1 ZINC000018142964 207093882 /nfs/dbraw/zinc/09/38/82/207093882.db2.gz HMEPRFZFRXKMLI-IBGZPJMESA-N 1 2 383.423 2.288 50 0 GEAALO O=S(=O)(c1cccc2nsnc21)N1CC[NH+](Cc2cccs2)CC1 ZINC000019079171 207101602 /nfs/dbraw/zinc/10/16/02/207101602.db2.gz CIEQHWVACHIHHR-UHFFFAOYSA-N 1 2 380.520 2.259 50 0 GEAALO C[C@H](C(=O)Nc1ccc(F)cc1Cl)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000019670456 207149202 /nfs/dbraw/zinc/14/92/02/207149202.db2.gz UDBDBRJNRTVQPX-CQSZACIVSA-N 1 2 396.894 2.046 50 0 GEAALO Cn1cc(CCNc2ccc(C(=O)N3CCC[C@@H](Cn4cc[nH+]c4)C3)cn2)cn1 ZINC000019635280 207144070 /nfs/dbraw/zinc/14/40/70/207144070.db2.gz KVJLZRSIYLCMQA-SFHVURJKSA-N 1 2 393.495 2.219 50 0 GEAALO O=c1nncc(N2CC[NH+](C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)[nH]1 ZINC000019795452 207162680 /nfs/dbraw/zinc/16/26/80/207162680.db2.gz KBBBLITXEVOMTL-UHFFFAOYSA-N 1 2 383.402 2.355 50 0 GEAALO c1cncc(C[NH+]2CCN(Cc3nc(-c4ccc5c(c4)OCO5)no3)CC2)c1 ZINC000020109608 207177271 /nfs/dbraw/zinc/17/72/71/207177271.db2.gz DBBHZTHBWBGNAA-UHFFFAOYSA-N 1 2 379.420 2.178 50 0 GEAALO Cc1c(NS(C)(=O)=O)cccc1C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000019934526 207171419 /nfs/dbraw/zinc/17/14/19/207171419.db2.gz XPYUFSKDUBYAKH-UHFFFAOYSA-N 1 2 384.461 2.482 50 0 GEAALO O=C1O[C@@H]2C[N@H+](Cc3cccn3-c3cccnc3)C[C@@H]2N1Cc1ccccn1 ZINC000020542988 207202746 /nfs/dbraw/zinc/20/27/46/207202746.db2.gz JFZMBQDZXHPMBP-VQTJNVASSA-N 1 2 375.432 2.473 50 0 GEAALO O=C1O[C@@H]2C[N@@H+](Cc3cccn3-c3cccnc3)C[C@@H]2N1Cc1ccccn1 ZINC000020542988 207202749 /nfs/dbraw/zinc/20/27/49/207202749.db2.gz JFZMBQDZXHPMBP-VQTJNVASSA-N 1 2 375.432 2.473 50 0 GEAALO CCN1CC[NH+]([C@H](c2ccccc2)c2c(O)cc(C)n(CCOC)c2=O)CC1 ZINC000020604612 207206113 /nfs/dbraw/zinc/20/61/13/207206113.db2.gz CHQOTWUXBUXVQV-OAQYLSRUSA-N 1 2 385.508 2.236 50 0 GEAALO COc1cccc(CN2CC[N@H+](Cc3cccc4c3OCO4)C[C@@H]2CCO)c1 ZINC000020909699 207219500 /nfs/dbraw/zinc/21/95/00/207219500.db2.gz HUZQVYYNROYOQN-IBGZPJMESA-N 1 2 384.476 2.493 50 0 GEAALO COc1cccc(CN2CC[N@@H+](Cc3cccc4c3OCO4)C[C@@H]2CCO)c1 ZINC000020909699 207219503 /nfs/dbraw/zinc/21/95/03/207219503.db2.gz HUZQVYYNROYOQN-IBGZPJMESA-N 1 2 384.476 2.493 50 0 GEAALO C[C@H](NC(=O)CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1)c1ccccc1 ZINC000020661440 207209393 /nfs/dbraw/zinc/20/93/93/207209393.db2.gz YYYJPSZEHOWNAK-KRWDZBQOSA-N 1 2 381.476 2.410 50 0 GEAALO COc1ccccc1-n1cnc2cc(C(=O)NCC[NH+]3CCOCC3)ccc21 ZINC000020757722 207213393 /nfs/dbraw/zinc/21/33/93/207213393.db2.gz XHEGTXHVOUKYTQ-UHFFFAOYSA-N 1 2 380.448 2.096 50 0 GEAALO Cc1ccc(NC(=O)CN2CC[NH+]([C@@H](C)C(=O)N3CCC(C)CC3)CC2)cc1 ZINC000022912860 207263472 /nfs/dbraw/zinc/26/34/72/207263472.db2.gz SSGCXVZYCKJECZ-IBGZPJMESA-N 1 2 386.540 2.198 50 0 GEAALO OCC[NH+]1CCN(C[C@H](O)Cn2c3c(c4cccc(Cl)c42)CCCC3)CC1 ZINC000022918333 207264278 /nfs/dbraw/zinc/26/42/78/207264278.db2.gz RQIWTGQGNVXPKC-INIZCTEOSA-N 1 2 391.943 2.144 50 0 GEAALO CCc1ccccc1NC(=O)CN1CC[NH+](CC(=O)N2CCC[C@@H](C)C2)CC1 ZINC000022786786 207261956 /nfs/dbraw/zinc/26/19/56/207261956.db2.gz CEBQUMDSYZEIER-GOSISDBHSA-N 1 2 386.540 2.064 50 0 GEAALO Cc1ccc(NC(=O)CN2CC[NH+]([C@H](C)C(=O)N3CCC(C)CC3)CC2)cc1 ZINC000022912857 207262352 /nfs/dbraw/zinc/26/23/52/207262352.db2.gz SSGCXVZYCKJECZ-LJQANCHMSA-N 1 2 386.540 2.198 50 0 GEAALO O=C(NCc1ccc(N2CCCC2)[nH+]c1)[C@H]1CCCN(C(=O)c2ccco2)C1 ZINC000023101612 207268775 /nfs/dbraw/zinc/26/87/75/207268775.db2.gz ZVQMTKALMIJNNE-KRWDZBQOSA-N 1 2 382.464 2.443 50 0 GEAALO CCOc1ccc(N2C(=O)C[C@@H]([NH2+]Cc3nncn3-c3ccccc3)C2=O)cc1 ZINC000023157137 207270995 /nfs/dbraw/zinc/27/09/95/207270995.db2.gz GWAPWXVERSSKSF-GOSISDBHSA-N 1 2 391.431 2.088 50 0 GEAALO Cc1ccc(NC(=O)[C@@H](C)N2CC[NH+](CC(=O)N3CCCCC3)CC2)cc1F ZINC000022931522 207265459 /nfs/dbraw/zinc/26/54/59/207265459.db2.gz PBSMFEVWEXULAU-QGZVFWFLSA-N 1 2 390.503 2.091 50 0 GEAALO O=C(Cn1c(=O)cnc2ccccc21)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000023718858 207281392 /nfs/dbraw/zinc/28/13/92/207281392.db2.gz BEJVPNQJGNISQO-RMKNXTFCSA-N 1 2 388.471 2.254 50 0 GEAALO Cn1cc[nH+]c1[C@H](NC(=O)c1cccc(-n2cnnn2)c1)c1ccc(F)cc1 ZINC000023776816 207282307 /nfs/dbraw/zinc/28/23/07/207282307.db2.gz VKVZGAHLTIBEGY-QGZVFWFLSA-N 1 2 377.383 2.054 50 0 GEAALO COc1ccc(C[NH+]2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)cc1OC ZINC000023740317 207283212 /nfs/dbraw/zinc/28/32/12/207283212.db2.gz CMBZNFMWCRMRCV-UHFFFAOYSA-N 1 2 384.432 2.391 50 0 GEAALO CS(=O)(=O)Nc1cccc(C(=O)N2CC[NH+](Cc3cccs3)CC2)c1 ZINC000023737237 207283566 /nfs/dbraw/zinc/28/35/66/207283566.db2.gz LDTSXTXCICWQFS-UHFFFAOYSA-N 1 2 379.507 2.078 50 0 GEAALO CC(C)(CNC(=O)Cn1c2ccccc2nc1-c1cscn1)[NH+]1CCOCC1 ZINC000023881149 207284694 /nfs/dbraw/zinc/28/46/94/207284694.db2.gz QPOCAOXNTDIIHM-UHFFFAOYSA-N 1 2 399.520 2.387 50 0 GEAALO Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)Cc2cn3ccsc3n2)cc1 ZINC000023864637 207284789 /nfs/dbraw/zinc/28/47/89/207284789.db2.gz NUFAZGMFYOFSHJ-GOSISDBHSA-N 1 2 384.505 2.436 50 0 GEAALO CCCCn1nc(C(=O)NCC(C)(C)[NH+]2CCOCC2)c2ccccc2c1=O ZINC000023995140 207286186 /nfs/dbraw/zinc/28/61/86/207286186.db2.gz SHTLZUBRUXIXGK-UHFFFAOYSA-N 1 2 386.496 2.037 50 0 GEAALO Cc1ccccc1C[N@@H+]1CCNC(=O)[C@H]1CC(=O)N(C)Cc1ccncc1C ZINC000012308481 207287112 /nfs/dbraw/zinc/28/71/12/207287112.db2.gz VHMFSUBQEQTOIY-HXUWFJFHSA-N 1 2 380.492 2.048 50 0 GEAALO Cc1ccccc1C[N@H+]1CCNC(=O)[C@H]1CC(=O)N(C)Cc1ccncc1C ZINC000012308481 207287113 /nfs/dbraw/zinc/28/71/13/207287113.db2.gz VHMFSUBQEQTOIY-HXUWFJFHSA-N 1 2 380.492 2.048 50 0 GEAALO Cc1cnc2c(cccc2S(=O)(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)c1 ZINC000024865223 207297782 /nfs/dbraw/zinc/29/77/82/207297782.db2.gz ASPVMHZQKARDAV-KRWDZBQOSA-N 1 2 377.510 2.178 50 0 GEAALO COc1ccc(OC)c(CN2CC[NH+]([C@H](C)C(=O)NC3CCCC3)CC2)c1 ZINC000025607934 207304314 /nfs/dbraw/zinc/30/43/14/207304314.db2.gz AIDDUUFRYXZCTA-MRXNPFEDSA-N 1 2 375.513 2.269 50 0 GEAALO COc1ccc(OC)c(C[NH+]2CCN([C@H](C)C(=O)NC3CCCC3)CC2)c1 ZINC000025607934 207304319 /nfs/dbraw/zinc/30/43/19/207304319.db2.gz AIDDUUFRYXZCTA-MRXNPFEDSA-N 1 2 375.513 2.269 50 0 GEAALO Cc1cc(=O)c(C(=O)N2CC[NH+](Cc3ccccc3)CC2)nn1-c1ccccc1 ZINC000029630222 207365327 /nfs/dbraw/zinc/36/53/27/207365327.db2.gz RCPZZLRRMMDXQY-UHFFFAOYSA-N 1 2 388.471 2.499 50 0 GEAALO O=C(c1cccs1)N1CC[NH+](C[C@@H](O)COCc2ccccc2F)CC1 ZINC000032721129 207401258 /nfs/dbraw/zinc/40/12/58/207401258.db2.gz AVYKPLTWYAOUEB-MRXNPFEDSA-N 1 2 378.469 2.223 50 0 GEAALO COc1cccc(C(=O)N2CCc3[nH+]c(N4CCCC4)nc(N(C)C)c3C2)c1 ZINC000034678674 207467908 /nfs/dbraw/zinc/46/79/08/207467908.db2.gz NCEGSVVCQBXKEQ-UHFFFAOYSA-N 1 2 381.480 2.350 50 0 GEAALO CC[NH+]1CCN(C(=O)c2cc(COc3ccc(C(C)=O)cc3OC)on2)CC1 ZINC000059924879 207784123 /nfs/dbraw/zinc/78/41/23/207784123.db2.gz ZSZCAMOUPLDHQB-UHFFFAOYSA-N 1 2 387.436 2.243 50 0 GEAALO Cc1ccc(C[N@@H+]2CCN(C(=O)c3n[nH]c4ccc(C)cc43)C[C@H]2CCO)o1 ZINC000072423082 208022060 /nfs/dbraw/zinc/02/20/60/208022060.db2.gz GHEDJANCQSOBCQ-MRXNPFEDSA-N 1 2 382.464 2.482 50 0 GEAALO Cc1ccc(C[N@H+]2CCN(C(=O)c3n[nH]c4ccc(C)cc43)C[C@H]2CCO)o1 ZINC000072423082 208022068 /nfs/dbraw/zinc/02/20/68/208022068.db2.gz GHEDJANCQSOBCQ-MRXNPFEDSA-N 1 2 382.464 2.482 50 0 GEAALO Cc1cccc(C[N@@H+]2CCN(C(=O)c3cn4c(cccc4C)n3)C[C@@H]2CCO)n1 ZINC000072433257 208025021 /nfs/dbraw/zinc/02/50/21/208025021.db2.gz ORWAJUSKEKZMFP-IBGZPJMESA-N 1 2 393.491 2.055 50 0 GEAALO Cc1cccc(C[N@H+]2CCN(C(=O)c3cn4c(cccc4C)n3)C[C@@H]2CCO)n1 ZINC000072433257 208025027 /nfs/dbraw/zinc/02/50/27/208025027.db2.gz ORWAJUSKEKZMFP-IBGZPJMESA-N 1 2 393.491 2.055 50 0 GEAALO COc1ccc2c(ccn2CC(=O)N2CC[NH+](CCc3ccccn3)CC2)c1 ZINC000079464560 208074825 /nfs/dbraw/zinc/07/48/25/208074825.db2.gz WYBZHBBGWFDEJG-UHFFFAOYSA-N 1 2 378.476 2.432 50 0 GEAALO Cn1cc[nH+]c1CCNS(=O)(=O)c1ccc(Br)cc1Cl ZINC000040640826 208078282 /nfs/dbraw/zinc/07/82/82/208078282.db2.gz HVGFJEFASSKTBF-UHFFFAOYSA-N 1 2 378.679 2.357 50 0 GEAALO Cc1noc(C)c1C(=O)N1CCC[C@]2(CCC(=O)N(CCc3c[nH+]c[nH]3)C2)C1 ZINC000091603916 208126563 /nfs/dbraw/zinc/12/65/63/208126563.db2.gz RXZMCNWWWGKZQR-HXUWFJFHSA-N 1 2 385.468 2.102 50 0 GEAALO Cc1noc(C)c1C(=O)N1CCC[C@]2(CCC(=O)N(CCc3c[nH]c[nH+]3)C2)C1 ZINC000091603916 208126570 /nfs/dbraw/zinc/12/65/70/208126570.db2.gz RXZMCNWWWGKZQR-HXUWFJFHSA-N 1 2 385.468 2.102 50 0 GEAALO O=C(c1ccc(-c2cc[nH]n2)cc1)N1CC[N@H+](Cc2ccoc2)[C@H](CCO)C1 ZINC000091645881 208130311 /nfs/dbraw/zinc/13/03/11/208130311.db2.gz DGNKEZSVCLLPSJ-LJQANCHMSA-N 1 2 380.448 2.379 50 0 GEAALO O=C(c1ccc(-c2cc[nH]n2)cc1)N1CC[N@@H+](Cc2ccoc2)[C@H](CCO)C1 ZINC000091645881 208130318 /nfs/dbraw/zinc/13/03/18/208130318.db2.gz DGNKEZSVCLLPSJ-LJQANCHMSA-N 1 2 380.448 2.379 50 0 GEAALO O=C(NCc1[nH]cc[nH+]1)c1cnc(Cc2c(Cl)cccc2Cl)[nH]c1=O ZINC000091724760 208135466 /nfs/dbraw/zinc/13/54/66/208135466.db2.gz WRGGPZCLGKUSIS-UHFFFAOYSA-N 1 2 378.219 2.321 50 0 GEAALO O=C(c1cnc(Nc2ccccc2)nc1)N1CCC(O)(Cn2cc[nH+]c2)CC1 ZINC000091845667 208138246 /nfs/dbraw/zinc/13/82/46/208138246.db2.gz LQMNOVPVYQOZFK-UHFFFAOYSA-N 1 2 378.436 2.084 50 0 GEAALO CN(Cc1[nH+]ccn1C)C(=O)c1cnc(C23CC4CC(CC(C4)C2)C3)[nH]c1=O ZINC000091270293 208114025 /nfs/dbraw/zinc/11/40/25/208114025.db2.gz JCDBGWYGBXXEIJ-UHFFFAOYSA-N 1 2 381.480 2.243 50 0 GEAALO COc1ccccc1CCC(=O)N1CCC2(CC1)c1[nH+]c[nH]c1CCN2C(C)=O ZINC000091818588 208139131 /nfs/dbraw/zinc/13/91/31/208139131.db2.gz PJDHCTNVARDIEZ-UHFFFAOYSA-N 1 2 396.491 2.273 50 0 GEAALO C[N@H+](CC(=O)N1CC[C@@]2(C1)CCCN(C1CCCC1)C2=O)Cc1ccccn1 ZINC000095357706 208160483 /nfs/dbraw/zinc/16/04/83/208160483.db2.gz GPYLMBJYCUTLQR-JOCHJYFZSA-N 1 2 384.524 2.297 50 0 GEAALO C[N@@H+](CC(=O)N1CC[C@@]2(C1)CCCN(C1CCCC1)C2=O)Cc1ccccn1 ZINC000095357706 208160489 /nfs/dbraw/zinc/16/04/89/208160489.db2.gz GPYLMBJYCUTLQR-JOCHJYFZSA-N 1 2 384.524 2.297 50 0 GEAALO Cn1cc[nH+]c1CN1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1 ZINC000091985889 208145195 /nfs/dbraw/zinc/14/51/95/208145195.db2.gz FWZLZACYMWXDTC-UHFFFAOYSA-N 1 2 383.279 2.450 50 0 GEAALO Cc1[nH]c2c(cccc2F)c1CC(=O)N1CCCO[C@H](C[NH+]2CCOCC2)C1 ZINC000092004289 208147628 /nfs/dbraw/zinc/14/76/28/208147628.db2.gz BPWCLNTVYYUWTE-MRXNPFEDSA-N 1 2 389.471 2.108 50 0 GEAALO CC(=O)N1CCc2[nH]c[nH+]c2C12CCN(C(=O)c1ccc(N(C)C)cc1)CC2 ZINC000092066359 208151242 /nfs/dbraw/zinc/15/12/42/208151242.db2.gz WUAYPWLPZQRVFA-UHFFFAOYSA-N 1 2 381.480 2.012 50 0 GEAALO CCC(=O)N1CCc2[nH]c[nH+]c2C12CCN(C(=O)c1c(C)onc1CC)CC2 ZINC000095505583 208208467 /nfs/dbraw/zinc/20/84/67/208208467.db2.gz RAQONEHNHSDFTB-UHFFFAOYSA-N 1 2 385.468 2.195 50 0 GEAALO CCn1cnnc1C[NH+]1CCC2(CCC(=O)N(CCc3ccccn3)C2)CC1 ZINC000095391210 208179784 /nfs/dbraw/zinc/17/97/84/208179784.db2.gz SCQWRCOKYMBQNU-UHFFFAOYSA-N 1 2 382.512 2.140 50 0 GEAALO O=C(c1cccc(O)c1)N1CCC2(CC1)c1[nH+]c[nH]c1CCN2C(=O)C1CC1 ZINC000095500852 208201544 /nfs/dbraw/zinc/20/15/44/208201544.db2.gz OACIWHYPTMOGER-UHFFFAOYSA-N 1 2 380.448 2.042 50 0 GEAALO CCn1cc[nH+]c1C1CCN(C(=O)Cc2ccc(S(C)(=O)=O)cc2)CC1 ZINC000095500982 208201863 /nfs/dbraw/zinc/20/18/63/208201863.db2.gz MOJDZJOEZWINAQ-UHFFFAOYSA-N 1 2 375.494 2.255 50 0 GEAALO Cc1cc(=O)c(C(=O)N2CCC[C@@H](c3[nH+]ccn3Cc3cscn3)C2)c[nH]1 ZINC000095511524 208212465 /nfs/dbraw/zinc/21/24/65/208212465.db2.gz RTHLMJZEIFFBEU-CQSZACIVSA-N 1 2 383.477 2.404 50 0 GEAALO O=C(CCCn1cncn1)N1CCC[C@@H](c2[nH+]ccn2Cc2ccccn2)C1 ZINC000095512527 208213164 /nfs/dbraw/zinc/21/31/64/208213164.db2.gz MKLJZXAKBWKLNV-QGZVFWFLSA-N 1 2 379.468 2.104 50 0 GEAALO COc1cc(C[NH+]2Cc3ccccc3C2)ccc1OC[C@@H](O)CN1CCOCC1 ZINC000095517335 208216343 /nfs/dbraw/zinc/21/63/43/208216343.db2.gz HIFXLQSBIIOKIX-NRFANRHFSA-N 1 2 398.503 2.283 50 0 GEAALO Cc1nc2cc(C(=O)N3CCC[C@@H](c4[nH+]ccn4CC(N)=O)C3)ccc2s1 ZINC000095529804 208230310 /nfs/dbraw/zinc/23/03/10/208230310.db2.gz KJKOQKSJTQNBHY-CQSZACIVSA-N 1 2 383.477 2.306 50 0 GEAALO CCOC(=O)[C@H]([NH3+])CS[C@H]1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O ZINC000095531918 208231015 /nfs/dbraw/zinc/23/10/15/208231015.db2.gz CVIWUXKMJRDRKW-NEPJUHHUSA-N 1 2 391.276 2.249 50 0 GEAALO CCn1cc(C[N@H+](C)CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)cn1 ZINC000095959505 208244699 /nfs/dbraw/zinc/24/46/99/208244699.db2.gz JEURCUXISZRAEC-GOSISDBHSA-N 1 2 384.480 2.470 50 0 GEAALO CCn1cc(C[N@@H+](C)CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)cn1 ZINC000095959505 208244702 /nfs/dbraw/zinc/24/47/02/208244702.db2.gz JEURCUXISZRAEC-GOSISDBHSA-N 1 2 384.480 2.470 50 0 GEAALO CCc1ocnc1C(=O)N1CCC(c2nnc(Cn3cc[nH+]c3)n2CC)CC1 ZINC000096149508 208275494 /nfs/dbraw/zinc/27/54/94/208275494.db2.gz MXZSRKYCLFAUGT-UHFFFAOYSA-N 1 2 383.456 2.113 50 0 GEAALO COC(=O)c1cccc(NC(=O)N2CC[N@H+](Cc3ccoc3)[C@H](CCO)C2)c1 ZINC000096150435 208276152 /nfs/dbraw/zinc/27/61/52/208276152.db2.gz JZNMVUZAQSFMTL-GOSISDBHSA-N 1 2 387.436 2.167 50 0 GEAALO COC(=O)c1cccc(NC(=O)N2CC[N@@H+](Cc3ccoc3)[C@H](CCO)C2)c1 ZINC000096150435 208276161 /nfs/dbraw/zinc/27/61/61/208276161.db2.gz JZNMVUZAQSFMTL-GOSISDBHSA-N 1 2 387.436 2.167 50 0 GEAALO CN(C)c1cc(COC(=O)Cn2cnc3c4ccccc4oc3c2=O)cc[nH+]1 ZINC000096014213 208253466 /nfs/dbraw/zinc/25/34/66/208253466.db2.gz MUBUXIHQQIXZAV-UHFFFAOYSA-N 1 2 378.388 2.347 50 0 GEAALO CCn1c(Cn2cc[nH+]c2)nnc1C1CCN(C(=O)CSC(C)C)CC1 ZINC000096132343 208267302 /nfs/dbraw/zinc/26/73/02/208267302.db2.gz PHGXNMOFEKHEKE-UHFFFAOYSA-N 1 2 376.530 2.390 50 0 GEAALO CCNC(=O)[C@@H]1C[C@H](NC(=O)CCc2cccs2)C[N@@H+]1Cc1ccoc1 ZINC000096139954 208270830 /nfs/dbraw/zinc/27/08/30/208270830.db2.gz LUVKMSFDMYEJRX-RDJZCZTQSA-N 1 2 375.494 2.169 50 0 GEAALO CCNC(=O)[C@@H]1C[C@H](NC(=O)CCc2cccs2)C[N@H+]1Cc1ccoc1 ZINC000096139954 208270836 /nfs/dbraw/zinc/27/08/36/208270836.db2.gz LUVKMSFDMYEJRX-RDJZCZTQSA-N 1 2 375.494 2.169 50 0 GEAALO CCn1c(C(=O)NCC[NH+]2CCOCC2)cc2cc(NC(=O)C3CC3)ccc21 ZINC000096276542 208299389 /nfs/dbraw/zinc/29/93/89/208299389.db2.gz ARQLMNHZTPNUBX-UHFFFAOYSA-N 1 2 384.480 2.072 50 0 GEAALO COc1cccc(C[NH+]2CCN(C(=O)c3c[nH]c(=O)c4ccccc34)CC2)c1 ZINC000097173231 208343388 /nfs/dbraw/zinc/34/33/88/208343388.db2.gz JTHBNQGALOJCNV-UHFFFAOYSA-N 1 2 377.444 2.495 50 0 GEAALO Cc1c(Br)c(C(F)(F)F)nn1CC(=O)NCCCn1cc[nH+]c1 ZINC000100666097 208378205 /nfs/dbraw/zinc/37/82/05/208378205.db2.gz CENWOLFYXIFERL-UHFFFAOYSA-N 1 2 394.195 2.376 50 0 GEAALO CS(=O)(=O)Nc1ccc(C(=O)N2CC[NH+](Cc3ccccc3F)CC2)cc1 ZINC000023233445 208865702 /nfs/dbraw/zinc/86/57/02/208865702.db2.gz WMMDAKJXTIAZQQ-UHFFFAOYSA-N 1 2 391.468 2.155 50 0 GEAALO CC[C@@H]1C[C@H](C(=O)N2CC[NH+]([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)CCO1 ZINC000239653764 209018213 /nfs/dbraw/zinc/01/82/13/209018213.db2.gz BLHIDBVJJPYBQS-FGTMMUONSA-N 1 2 395.544 2.345 50 0 GEAALO O=C(NC[C@@H](c1ccccc1)[NH+]1CCOCC1)c1cnn(CC(F)(F)F)c1 ZINC000241161364 209019585 /nfs/dbraw/zinc/01/95/85/209019585.db2.gz KAFZVXNDJWNLPE-INIZCTEOSA-N 1 2 382.386 2.249 50 0 GEAALO Cc1ccc(CNC(=O)C2CC[NH+]([C@@H](C)C(=O)Nc3nncs3)CC2)cc1 ZINC000244626822 209021383 /nfs/dbraw/zinc/02/13/83/209021383.db2.gz FTJHHIAICYTGLZ-AWEZNQCLSA-N 1 2 387.509 2.202 50 0 GEAALO CCCc1nnc(NC(=O)C[NH+]2CCC(c3nnc4ccccn43)CC2)s1 ZINC000243914945 209022000 /nfs/dbraw/zinc/02/20/00/209022000.db2.gz BLAUSOHZAXSDHT-UHFFFAOYSA-N 1 2 385.497 2.351 50 0 GEAALO COc1cccc([C@@H](O)CNc2[nH+]cnc3c2c(Br)nn3C)c1 ZINC000253420213 209040658 /nfs/dbraw/zinc/04/06/58/209040658.db2.gz XVVABLUMJKTKIA-NSHDSACASA-N 1 2 378.230 2.280 50 0 GEAALO O=C(CN1C(=O)COc2ccccc21)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000007989928 221021594 /nfs/dbraw/zinc/02/15/94/221021594.db2.gz QIAJDLUOOMBESJ-UHFFFAOYSA-N 1 2 386.477 2.493 50 0 GEAALO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)c2cccc(-n3cccc3)c2)CC1 ZINC000012554087 221205597 /nfs/dbraw/zinc/20/55/97/221205597.db2.gz NKYMSARCDNBGGL-UHFFFAOYSA-N 1 2 387.447 2.116 50 0 GEAALO O=S(=O)(c1ccccc1)[C@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC000013371262 221267780 /nfs/dbraw/zinc/26/77/80/221267780.db2.gz FPWHAAKQPDGAJC-IRXDYDNUSA-N 1 2 399.921 2.069 50 0 GEAALO COc1cccc(C[NH+]2CCN(C(=O)N[C@H](C)Cn3nc(C)cc3C)CC2)c1 ZINC000426690252 533478762 /nfs/dbraw/zinc/47/87/62/533478762.db2.gz HIGDJTFRNAFRFR-QGZVFWFLSA-N 1 2 385.512 2.424 50 0 GEAALO O=C(NCc1ccc[nH+]c1N1CCOCC1)Nc1ccc2c(c1)OCCCO2 ZINC000058227014 136155143 /nfs/dbraw/zinc/15/51/43/136155143.db2.gz JYTLWMULCCFJSQ-UHFFFAOYSA-N 1 2 384.436 2.401 50 0 GEAALO C[C@H](NC(=O)N1CCN(c2cccc[nH+]2)CC1)C(=O)Nc1ccc2[nH]ccc2c1 ZINC000061720851 136156074 /nfs/dbraw/zinc/15/60/74/136156074.db2.gz LWBXWMMBWZWPAE-HNNXBMFYSA-N 1 2 392.463 2.422 50 0 GEAALO Cc1ccc(-c2ccnc(N3CCO[C@@H](C(=O)N(C)CC(C)C)C3)n2)c(C)[nH+]1 ZINC000072422004 136169917 /nfs/dbraw/zinc/16/99/17/136169917.db2.gz KMEVNCZDSBSUIL-LJQANCHMSA-N 1 2 383.496 2.475 50 0 GEAALO Cc1[nH+]cn(-c2cc(N3CCN(C(=O)COc4ccccc4)CC3)ncn2)c1C ZINC000072446847 136170969 /nfs/dbraw/zinc/17/09/69/136170969.db2.gz YZGMPNMXZLIOPQ-UHFFFAOYSA-N 1 2 392.463 2.007 50 0 GEAALO O=C([O-])[C@H](c1ccc(N2CCCCC2)nc1)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000095380616 136178642 /nfs/dbraw/zinc/17/86/42/136178642.db2.gz YPBPPPSVDIOIIV-FQEVSTJZSA-N 1 2 381.480 2.415 50 0 GEAALO Cc1cc(N2CC[NH+]([C@@H](C(=O)[O-])c3ccc4c(c3)OCCO4)CC2)cc(C)[nH+]1 ZINC000095385086 136178698 /nfs/dbraw/zinc/17/86/98/136178698.db2.gz FZSYPYUFPTUCDP-HXUWFJFHSA-N 1 2 383.448 2.418 50 0 GEAALO CC(C)n1cccc1C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000121908409 136192448 /nfs/dbraw/zinc/19/24/48/136192448.db2.gz PNFZKMYCOKJODG-KRWDZBQOSA-N 1 2 398.511 2.094 50 0 GEAALO CC(C)n1cccc1C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000121908409 136192449 /nfs/dbraw/zinc/19/24/49/136192449.db2.gz PNFZKMYCOKJODG-KRWDZBQOSA-N 1 2 398.511 2.094 50 0 GEAALO COc1ccccc1C[NH+]1CCN(C(=O)NCc2ccc3nonc3c2)CC1 ZINC000426518613 534080294 /nfs/dbraw/zinc/08/02/94/534080294.db2.gz AFUXPTIDXHPKJV-UHFFFAOYSA-N 1 2 381.436 2.259 50 0 GEAALO Cc1noc(C)c1C[N@H+]1CCc2c(C(=O)N(C)[C@@H](C)CC(N)=O)csc2C1 ZINC000426368324 534358076 /nfs/dbraw/zinc/35/80/76/534358076.db2.gz QAUOTYAFQVEXND-NSHDSACASA-N 1 2 390.509 2.247 50 0 GEAALO Cc1noc(C)c1C[N@@H+]1CCc2c(C(=O)N(C)[C@@H](C)CC(N)=O)csc2C1 ZINC000426368324 534358080 /nfs/dbraw/zinc/35/80/80/534358080.db2.gz QAUOTYAFQVEXND-NSHDSACASA-N 1 2 390.509 2.247 50 0 GEAALO O=C(NCCc1nc2ccccc2c(=O)[nH]1)N1CCC[C@H](Cn2cc[nH+]c2)C1 ZINC000426684362 534503857 /nfs/dbraw/zinc/50/38/57/534503857.db2.gz FAKVUQHMVLAVPK-OAHLLOKOSA-N 1 2 380.452 2.196 50 0 GEAALO C[C@H](CNC(=O)CCS(=O)(=O)C1CCCC1)[N@@H+]1CCc2sccc2C1 ZINC000048188541 570220535 /nfs/dbraw/zinc/22/05/35/570220535.db2.gz RRLPQHKISATJON-CQSZACIVSA-N 1 2 384.567 2.358 50 0 GEAALO C[C@H](CNC(=O)CCS(=O)(=O)C1CCCC1)[N@H+]1CCc2sccc2C1 ZINC000048188541 570220540 /nfs/dbraw/zinc/22/05/40/570220540.db2.gz RRLPQHKISATJON-CQSZACIVSA-N 1 2 384.567 2.358 50 0 GEAALO O=C(CCS(=O)(=O)C1CCCC1)NCc1ccccc1Cn1cc[nH+]c1 ZINC000048262017 570224613 /nfs/dbraw/zinc/22/46/13/570224613.db2.gz HKBVEGDXKPZNAT-UHFFFAOYSA-N 1 2 375.494 2.295 50 0 GEAALO COc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)[C@@H]2Cc3ccccc3O2)cc1 ZINC000048303333 570232011 /nfs/dbraw/zinc/23/20/11/570232011.db2.gz JZLZAEWQLXEISS-FPOVZHCZSA-N 1 2 382.460 2.188 50 0 GEAALO CC1=NN(c2ccc(C(=O)NC[C@@]3([NH+]4CCOCC4)CCSC3)cc2)CC1 ZINC000048333662 570237643 /nfs/dbraw/zinc/23/76/43/570237643.db2.gz LZWAZXKUGSQBQM-FQEVSTJZSA-N 1 2 388.537 2.210 50 0 GEAALO Cc1ccc(O[C@@H](C)C(=O)N2CCC[N@H+](CC(=O)NC(C)(C)C)CC2)cc1 ZINC000048331613 570238344 /nfs/dbraw/zinc/23/83/44/570238344.db2.gz QMYREWQHUKLBTO-KRWDZBQOSA-N 1 2 375.513 2.211 50 0 GEAALO Cc1ccc(O[C@@H](C)C(=O)N2CCC[N@@H+](CC(=O)NC(C)(C)C)CC2)cc1 ZINC000048331613 570238346 /nfs/dbraw/zinc/23/83/46/570238346.db2.gz QMYREWQHUKLBTO-KRWDZBQOSA-N 1 2 375.513 2.211 50 0 GEAALO CCCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000048341683 570239552 /nfs/dbraw/zinc/23/95/52/570239552.db2.gz KZXJKQGZOINBKF-QGZVFWFLSA-N 1 2 390.509 2.322 50 0 GEAALO O=C(COc1coc(C[NH+]2CCSCC2)cc1=O)NCc1cccc(F)c1 ZINC000049548981 570269319 /nfs/dbraw/zinc/26/93/19/570269319.db2.gz JGUDPJNZUSZECA-UHFFFAOYSA-N 1 2 392.452 2.023 50 0 GEAALO Cc1oc(C(=O)Nc2ccc[nH+]c2N(C)C)cc1S(=O)(=O)N1CCCC1 ZINC000049728893 570272232 /nfs/dbraw/zinc/27/22/32/570272232.db2.gz LHZHRXVRCMYAEE-UHFFFAOYSA-N 1 2 378.454 2.086 50 0 GEAALO CN(C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1)C1CCS(=O)(=O)CC1 ZINC000584903614 570274252 /nfs/dbraw/zinc/27/42/52/570274252.db2.gz CKTGJZBRYGGRSE-QGZVFWFLSA-N 1 2 397.516 2.009 50 0 GEAALO CN(C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1)C1CCS(=O)(=O)CC1 ZINC000584903614 570274253 /nfs/dbraw/zinc/27/42/53/570274253.db2.gz CKTGJZBRYGGRSE-QGZVFWFLSA-N 1 2 397.516 2.009 50 0 GEAALO C[N@@H+](CC(=O)c1c[nH]c(C(=O)N2CCCC2)c1)C[C@H]1COc2ccccc2O1 ZINC000012901866 570288870 /nfs/dbraw/zinc/28/88/70/570288870.db2.gz GNOSBINMBDNBPL-INIZCTEOSA-N 1 2 383.448 2.205 50 0 GEAALO C[N@H+](CC(=O)c1c[nH]c(C(=O)N2CCCC2)c1)C[C@H]1COc2ccccc2O1 ZINC000012901866 570288873 /nfs/dbraw/zinc/28/88/73/570288873.db2.gz GNOSBINMBDNBPL-INIZCTEOSA-N 1 2 383.448 2.205 50 0 GEAALO NC(=O)[C@@H]1Cc2ccccc2CN1Cc1ccc(OCCn2cc[nH+]c2)cc1 ZINC000215961858 570293911 /nfs/dbraw/zinc/29/39/11/570293911.db2.gz ARQBFFBUHZOEKJ-NRFANRHFSA-N 1 2 376.460 2.374 50 0 GEAALO O=C(c1cccs1)N1CCc2[nH+]c(N3CCOCC3)nc(N3CCCC3)c2C1 ZINC000034679191 570295214 /nfs/dbraw/zinc/29/52/14/570295214.db2.gz VOGDXOFVLVMMLC-UHFFFAOYSA-N 1 2 399.520 2.173 50 0 GEAALO Cc1cccc(NS(=O)(=O)c2cc(C(=O)N3CC[NH+](C)CC3)ccc2C)c1 ZINC000002884482 570316236 /nfs/dbraw/zinc/31/62/36/570316236.db2.gz DXDCURVOAIXQOB-UHFFFAOYSA-N 1 2 387.505 2.492 50 0 GEAALO Cc1cc(C)c(S(=O)(=O)NCc2ccc(N3CCOCC3)[nH+]c2)c(C)c1 ZINC000012944392 570316611 /nfs/dbraw/zinc/31/66/11/570316611.db2.gz OMSRYWZCMADZJF-UHFFFAOYSA-N 1 2 375.494 2.322 50 0 GEAALO COc1ccc(CCNC(=O)N2CCCSC[C@H]2C[NH+]2CCOCC2)cc1 ZINC000090609194 570385086 /nfs/dbraw/zinc/38/50/86/570385086.db2.gz HPKWRHVUAZAMKW-GOSISDBHSA-N 1 2 393.553 2.087 50 0 GEAALO COc1ccc(Cl)cc1C(=O)N1CCN(c2cc(-n3cc[nH+]c3)ncn2)CC1 ZINC000035598077 570400701 /nfs/dbraw/zinc/40/07/01/570400701.db2.gz GALXHUMQPKNPFF-UHFFFAOYSA-N 1 2 398.854 2.287 50 0 GEAALO CCOc1ccc(N2C[C@@H](C(=O)N3CCN(c4cccc[nH+]4)CC3)CC2=O)cc1 ZINC000005062523 570409565 /nfs/dbraw/zinc/40/95/65/570409565.db2.gz RQBGSINDPVDKQJ-KRWDZBQOSA-N 1 2 394.475 2.182 50 0 GEAALO Cc1ccc(S(=O)(=O)CCC(=O)N2CCC[C@H](Cn3cc[nH+]c3)C2)cc1 ZINC000222781899 570425604 /nfs/dbraw/zinc/42/56/04/570425604.db2.gz IHMLHOSUHILCMH-QGZVFWFLSA-N 1 2 375.494 2.294 50 0 GEAALO CC[C@@H](C)[C@@H]1[NH2+]C2(CCN(C(=O)c3ccc4c(c3)OCO4)CC2)N(C2CC2)C1=O ZINC000036028703 570513835 /nfs/dbraw/zinc/51/38/35/570513835.db2.gz CWVZHFAHJITWPO-KUHUBIRLSA-N 1 2 399.491 2.357 50 0 GEAALO CC[C@@H](C)[C@H]1[NH2+]C2(CCN(S(=O)(=O)c3ccccc3)CC2)N(CC)C1=O ZINC000036029104 570513984 /nfs/dbraw/zinc/51/39/84/570513984.db2.gz QDRCHFOUHFSAMP-NVXWUHKLSA-N 1 2 379.526 2.034 50 0 GEAALO CCc1cc(C(=O)NCC[NH+]2CCOCC2)nc2cc(-c3cccs3)nn21 ZINC000064760265 570537493 /nfs/dbraw/zinc/53/74/93/570537493.db2.gz HGPHSEFLQDCREK-UHFFFAOYSA-N 1 2 385.493 2.082 50 0 GEAALO CCOC(=O)N1CCC(Nc2nc(N3CCCC3)[nH+]c(N3CCCC3)n2)CC1 ZINC000004223031 570540034 /nfs/dbraw/zinc/54/00/34/570540034.db2.gz BTMVSGCJMYYDCI-UHFFFAOYSA-N 1 2 389.504 2.105 50 0 GEAALO COC(=O)C1CC[NH+]([C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)CC1 ZINC000100633456 570542036 /nfs/dbraw/zinc/54/20/36/570542036.db2.gz JFWWOVYLHMRNMA-AWEZNQCLSA-N 1 2 384.354 2.222 50 0 GEAALO CCc1ccccc1NC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000036708248 570568139 /nfs/dbraw/zinc/56/81/39/570568139.db2.gz QCVZZUGSTKBTLV-UHFFFAOYSA-N 1 2 396.495 2.230 50 0 GEAALO CCc1ccccc1NC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000036708248 570568140 /nfs/dbraw/zinc/56/81/40/570568140.db2.gz QCVZZUGSTKBTLV-UHFFFAOYSA-N 1 2 396.495 2.230 50 0 GEAALO Cc1ccc(NC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)c(C)c1 ZINC000038528121 570579645 /nfs/dbraw/zinc/57/96/45/570579645.db2.gz PTCXLCHINKCXFY-UHFFFAOYSA-N 1 2 396.495 2.284 50 0 GEAALO Cc1ccc(NC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)c(C)c1 ZINC000038528121 570579649 /nfs/dbraw/zinc/57/96/49/570579649.db2.gz PTCXLCHINKCXFY-UHFFFAOYSA-N 1 2 396.495 2.284 50 0 GEAALO O=C(Cc1c[nH]c2ccccc12)N1CCN(c2cc(N3CCCC3)[nH+]cn2)CC1 ZINC000038528266 570579661 /nfs/dbraw/zinc/57/96/61/570579661.db2.gz JWPPAJOGAGHXCM-UHFFFAOYSA-N 1 2 390.491 2.449 50 0 GEAALO O=C(Cc1c[nH]c2ccccc12)N1CCN(c2cc(N3CCCC3)nc[nH+]2)CC1 ZINC000038528266 570579664 /nfs/dbraw/zinc/57/96/64/570579664.db2.gz JWPPAJOGAGHXCM-UHFFFAOYSA-N 1 2 390.491 2.449 50 0 GEAALO CCc1ccc(N2CN(CC[NH+]3CCOCC3)Cn3c(=O)c(C)c(C)nc32)cc1 ZINC000038829902 570584751 /nfs/dbraw/zinc/58/47/51/570584751.db2.gz YRFIVHMMNYSASC-UHFFFAOYSA-N 1 2 397.523 2.123 50 0 GEAALO O=C(NCc1ccccn1)[C@@H](C1CCCC1)[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000036253361 570587428 /nfs/dbraw/zinc/58/74/28/570587428.db2.gz NWPNCESMLILGRJ-HXUWFJFHSA-N 1 2 384.524 2.201 50 0 GEAALO Cc1ccc(C[N@@H+]2CCNC(=O)[C@@H]2CC(=O)N(C)CCc2ccccc2)cc1 ZINC000011880084 570591132 /nfs/dbraw/zinc/59/11/32/570591132.db2.gz RCRISMWMBXHKKZ-NRFANRHFSA-N 1 2 379.504 2.387 50 0 GEAALO Cc1ccc(C[N@H+]2CCNC(=O)[C@@H]2CC(=O)N(C)CCc2ccccc2)cc1 ZINC000011880084 570591135 /nfs/dbraw/zinc/59/11/35/570591135.db2.gz RCRISMWMBXHKKZ-NRFANRHFSA-N 1 2 379.504 2.387 50 0 GEAALO CCS(=O)(=O)c1ncc(CN2CC[N@H+](C)[C@H](C)C2)n1CCc1ccccc1 ZINC000039500884 570592660 /nfs/dbraw/zinc/59/26/60/570592660.db2.gz ZDRJQYMDEQGBLU-QGZVFWFLSA-N 1 2 390.553 2.055 50 0 GEAALO CCS(=O)(=O)c1ncc(CN2CC[N@@H+](C)[C@H](C)C2)n1CCc1ccccc1 ZINC000039500884 570592663 /nfs/dbraw/zinc/59/26/63/570592663.db2.gz ZDRJQYMDEQGBLU-QGZVFWFLSA-N 1 2 390.553 2.055 50 0 GEAALO CCOC(=O)c1n[nH]cc1C[N@@H+]1CCC[C@H](Nc2ccc3c(c2)OCCO3)C1 ZINC000011936567 570593869 /nfs/dbraw/zinc/59/38/69/570593869.db2.gz IADFZLXLFAVGNA-INIZCTEOSA-N 1 2 386.452 2.434 50 0 GEAALO CCOC(=O)c1n[nH]cc1C[N@H+]1CCC[C@H](Nc2ccc3c(c2)OCCO3)C1 ZINC000011936567 570593875 /nfs/dbraw/zinc/59/38/75/570593875.db2.gz IADFZLXLFAVGNA-INIZCTEOSA-N 1 2 386.452 2.434 50 0 GEAALO CC(=O)c1cccc(NC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000040266993 570597083 /nfs/dbraw/zinc/59/70/83/570597083.db2.gz DPSCOCSAZKTXJO-UHFFFAOYSA-N 1 2 380.448 2.352 50 0 GEAALO O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)Nc1nc2c(s1)CCCC2 ZINC000040268758 570597085 /nfs/dbraw/zinc/59/70/85/570597085.db2.gz HXKAAUZZKCEMQA-UHFFFAOYSA-N 1 2 399.520 2.484 50 0 GEAALO CC(C)NC(=O)N1CC[NH+]([C@@H](C(=O)NCc2ccco2)C2CCCC2)CC1 ZINC000036310380 570608712 /nfs/dbraw/zinc/60/87/12/570608712.db2.gz JYORZOPIDCAWKD-GOSISDBHSA-N 1 2 376.501 2.190 50 0 GEAALO Cc1cc(C)nc(N2CCN(c3nc(NCCCO)c4ccccc4[nH+]3)CC2)n1 ZINC000041150412 570615363 /nfs/dbraw/zinc/61/53/63/570615363.db2.gz QJEWDAXYEDXGCE-UHFFFAOYSA-N 1 2 393.495 2.158 50 0 GEAALO CC(C)(C)CNC(=O)c1[nH]cnc1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000033003826 570618075 /nfs/dbraw/zinc/61/80/75/570618075.db2.gz RQTUWYAQNNZLFK-UHFFFAOYSA-N 1 2 383.496 2.144 50 0 GEAALO O=C(Cn1ncc2ccccc2c1=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000044597669 570633625 /nfs/dbraw/zinc/63/36/25/570633625.db2.gz DJQHYWHNGSWTOI-RMKNXTFCSA-N 1 2 388.471 2.254 50 0 GEAALO C[C@@H](c1nc(C(C)(C)C)no1)N1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1 ZINC000036392065 570675116 /nfs/dbraw/zinc/67/51/16/570675116.db2.gz OJVYNDJWBWGFFZ-CVEARBPZSA-N 1 2 377.533 2.447 50 0 GEAALO O=C(NCc1ccc(OC(F)(F)F)cc1)c1cc(C[N@H+]2CCC[C@@H](O)C2)on1 ZINC000012579414 570683426 /nfs/dbraw/zinc/68/34/26/570683426.db2.gz MKXQVVILSKLHKN-CYBMUJFWSA-N 1 2 399.369 2.460 50 0 GEAALO O=C(NCc1ccc(OC(F)(F)F)cc1)c1cc(C[N@@H+]2CCC[C@@H](O)C2)on1 ZINC000012579414 570683428 /nfs/dbraw/zinc/68/34/28/570683428.db2.gz MKXQVVILSKLHKN-CYBMUJFWSA-N 1 2 399.369 2.460 50 0 GEAALO O=C(C[C@H]1C(=O)NCC[N@H+]1C/C=C/c1ccccc1)NCCCc1cccnc1 ZINC000055384696 570693449 /nfs/dbraw/zinc/69/34/49/570693449.db2.gz IOOMRHDVKBRHAE-LTSKSLEPSA-N 1 2 392.503 2.034 50 0 GEAALO O=C(C[C@H]1C(=O)NCC[N@@H+]1C/C=C/c1ccccc1)NCCCc1cccnc1 ZINC000055384696 570693451 /nfs/dbraw/zinc/69/34/51/570693451.db2.gz IOOMRHDVKBRHAE-LTSKSLEPSA-N 1 2 392.503 2.034 50 0 GEAALO O=C(CCc1ccc2c(c1)OCO2)N1CC[N@H+](Cc2ccco2)[C@H](CCO)C1 ZINC000055404421 570695003 /nfs/dbraw/zinc/69/50/03/570695003.db2.gz VJCNXGWZXHKMRM-QGZVFWFLSA-N 1 2 386.448 2.036 50 0 GEAALO O=C(CCc1ccc2c(c1)OCO2)N1CC[N@@H+](Cc2ccco2)[C@H](CCO)C1 ZINC000055404421 570695006 /nfs/dbraw/zinc/69/50/06/570695006.db2.gz VJCNXGWZXHKMRM-QGZVFWFLSA-N 1 2 386.448 2.036 50 0 GEAALO Cc1cc(C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)c2cnn(C(C)C)c2n1 ZINC000011153664 570707834 /nfs/dbraw/zinc/70/78/34/570707834.db2.gz UVKVWMONABXZIT-UHFFFAOYSA-N 1 2 394.479 2.482 50 0 GEAALO O=C(NCc1cc[nH+]c(N2CCOCC2)c1)Nc1ccn(Cc2ccccc2)n1 ZINC000058309924 570725995 /nfs/dbraw/zinc/72/59/95/570725995.db2.gz LUUIUUUGPXHXSS-UHFFFAOYSA-N 1 2 392.463 2.485 50 0 GEAALO C[NH+]1CCN(S(=O)(=O)c2cccc(C(=O)NCCC3=CCCCC3)c2)CC1 ZINC000012884794 570726053 /nfs/dbraw/zinc/72/60/53/570726053.db2.gz HFYIXHNDNVYUFE-UHFFFAOYSA-N 1 2 391.537 2.243 50 0 GEAALO Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C[N@H+](C)Cc1ccccc1F ZINC000013058021 570744394 /nfs/dbraw/zinc/74/43/94/570744394.db2.gz GKKCIJASLZFMME-UHFFFAOYSA-N 1 2 393.484 2.455 50 0 GEAALO Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C[N@@H+](C)Cc1ccccc1F ZINC000013058021 570744396 /nfs/dbraw/zinc/74/43/96/570744396.db2.gz GKKCIJASLZFMME-UHFFFAOYSA-N 1 2 393.484 2.455 50 0 GEAALO O=C(Nc1cc(F)cc(F)c1)c1ccc2c(c1)nnn2CC[NH+]1CCOCC1 ZINC000065255165 570753263 /nfs/dbraw/zinc/75/32/63/570753263.db2.gz TUQKQEYCQVHRON-UHFFFAOYSA-N 1 2 387.390 2.294 50 0 GEAALO COCC[NH+]=C1Nc2ccccc2N[C@@]12CCCN(C(=O)c1ccncc1)C2 ZINC000065259874 570761804 /nfs/dbraw/zinc/76/18/04/570761804.db2.gz VUANKCWHXKXDTA-OAQYLSRUSA-N 1 2 379.464 2.448 50 0 GEAALO CCn1nc(C)c(NC(=O)C[N@@H+]2CCC[C@H]2c2ccc(C(N)=O)s2)c1C ZINC000065419415 570767477 /nfs/dbraw/zinc/76/74/77/570767477.db2.gz OUJIXWMAOPLVCZ-ZDUSSCGKSA-N 1 2 375.498 2.456 50 0 GEAALO CCn1nc(C)c(NC(=O)C[N@H+]2CCC[C@H]2c2ccc(C(N)=O)s2)c1C ZINC000065419415 570767481 /nfs/dbraw/zinc/76/74/81/570767481.db2.gz OUJIXWMAOPLVCZ-ZDUSSCGKSA-N 1 2 375.498 2.456 50 0 GEAALO CN(CCc1ccccn1)c1[nH+]cccc1CNC(=O)c1cnn2cccnc12 ZINC000067589008 570782562 /nfs/dbraw/zinc/78/25/62/570782562.db2.gz KCPMRCDEAMLFGY-UHFFFAOYSA-N 1 2 387.447 2.128 50 0 GEAALO Cc1cccc(N2CC[N@@H+](CC(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)C[C@@H]2C)c1 ZINC000052688918 570784473 /nfs/dbraw/zinc/78/44/73/570784473.db2.gz HFQFCRXJTSXWKR-HNNXBMFYSA-N 1 2 379.464 2.314 50 0 GEAALO Cc1cccc(N2CC[N@H+](CC(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)C[C@@H]2C)c1 ZINC000052688918 570784475 /nfs/dbraw/zinc/78/44/75/570784475.db2.gz HFQFCRXJTSXWKR-HNNXBMFYSA-N 1 2 379.464 2.314 50 0 GEAALO Nc1cc(N2CCC(n3nccc3NC(=O)c3cccc(F)c3)CC2)[nH+]cn1 ZINC000067740731 570789042 /nfs/dbraw/zinc/78/90/42/570789042.db2.gz RHSHYWKRIODVSY-UHFFFAOYSA-N 1 2 381.415 2.488 50 0 GEAALO CS(=O)(=O)NC[C@H]1CCC[N@H+](Cc2csc(Cc3ccccc3)n2)C1 ZINC000052695703 570790445 /nfs/dbraw/zinc/79/04/45/570790445.db2.gz OGICNFRQBQGVBG-MRXNPFEDSA-N 1 2 379.551 2.495 50 0 GEAALO CS(=O)(=O)NC[C@H]1CCC[N@@H+](Cc2csc(Cc3ccccc3)n2)C1 ZINC000052695703 570790457 /nfs/dbraw/zinc/79/04/57/570790457.db2.gz OGICNFRQBQGVBG-MRXNPFEDSA-N 1 2 379.551 2.495 50 0 GEAALO CCOC(=O)c1cnn(-c2ccc(C(=O)N[C@H](C)Cn3cc[nH+]c3)cc2)c1C ZINC000052749927 570793982 /nfs/dbraw/zinc/79/39/82/570793982.db2.gz LTRPTZZMNCMNHI-CQSZACIVSA-N 1 2 381.436 2.372 50 0 GEAALO O=c1[nH]c(=O)n(-c2ccc(F)cc2)c(O)c1[C@H]1[NH2+]CCc2c3ccccc3[nH]c21 ZINC000018169455 570807275 /nfs/dbraw/zinc/80/72/75/570807275.db2.gz IZBQSHVWJYDKNF-GOSISDBHSA-N 1 2 392.390 2.087 50 0 GEAALO Cc1nc(NS(=O)(=O)c2ccccc2)sc1NC(=O)OCC[NH+](C)C ZINC000005684122 570808034 /nfs/dbraw/zinc/80/80/34/570808034.db2.gz RVEVCSXOSZADLD-UHFFFAOYSA-N 1 2 384.483 2.362 50 0 GEAALO Cc1n[nH]c(SCC(=O)N2C[C@H](c3ccccc3)[C@@H]3[C@H]2C2CC[NH+]3CC2)n1 ZINC000071439976 570835305 /nfs/dbraw/zinc/83/53/05/570835305.db2.gz HWXIQTADTXRGTA-BHIYHBOVSA-N 1 2 383.521 2.294 50 0 GEAALO CC[C@H]1C[N@H+](Cc2cc(=O)n3[nH]c(C)cc3n2)CCC(=O)N1Cc1ccccc1 ZINC000071575291 570840969 /nfs/dbraw/zinc/84/09/69/570840969.db2.gz LFUHJEIPBZDLFL-IBGZPJMESA-N 1 2 393.491 2.344 50 0 GEAALO CC[C@H]1C[N@@H+](Cc2cc(=O)n3[nH]c(C)cc3n2)CCC(=O)N1Cc1ccccc1 ZINC000071575291 570840970 /nfs/dbraw/zinc/84/09/70/570840970.db2.gz LFUHJEIPBZDLFL-IBGZPJMESA-N 1 2 393.491 2.344 50 0 GEAALO CO[C@H](CNc1nc(N(C)C)[nH+]c2c1CCN(C(C)=O)C2)c1cccs1 ZINC000071589532 570841216 /nfs/dbraw/zinc/84/12/16/570841216.db2.gz MSQILXCKXCRFHI-OAHLLOKOSA-N 1 2 375.498 2.308 50 0 GEAALO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2ccc(C(=O)OC(C)C)cc2)C1 ZINC000007436820 570843434 /nfs/dbraw/zinc/84/34/34/570843434.db2.gz VWSXKXLWWRFMIJ-INIZCTEOSA-N 1 2 376.453 2.465 50 0 GEAALO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(C(=O)OC(C)C)cc2)C1 ZINC000007436820 570843437 /nfs/dbraw/zinc/84/34/37/570843437.db2.gz VWSXKXLWWRFMIJ-INIZCTEOSA-N 1 2 376.453 2.465 50 0 GEAALO Cc1ccn2c(c1)nc(C(=O)N1CCCCCC1)c2C[N@@H+]1CCC[C@H]1C(N)=O ZINC000071765425 570851370 /nfs/dbraw/zinc/85/13/70/570851370.db2.gz KRWDIURWRGDQAE-INIZCTEOSA-N 1 2 383.496 2.109 50 0 GEAALO Cc1ccn2c(c1)nc(C(=O)N1CCCCCC1)c2C[N@H+]1CCC[C@H]1C(N)=O ZINC000071765425 570851371 /nfs/dbraw/zinc/85/13/71/570851371.db2.gz KRWDIURWRGDQAE-INIZCTEOSA-N 1 2 383.496 2.109 50 0 GEAALO CC(C)Cc1[nH+]c2ccccc2n1[C@H](C)C(=O)N1CCc2c(nc[nH]c2=O)C1 ZINC000071776978 570853443 /nfs/dbraw/zinc/85/34/43/570853443.db2.gz AXLQFCKCEXMMIG-CQSZACIVSA-N 1 2 379.464 2.464 50 0 GEAALO O=C(c1ccc(O)cn1)N1CCC[C@H]([NH+]2CCN(c3ccccc3F)CC2)C1 ZINC000072124252 570867640 /nfs/dbraw/zinc/86/76/40/570867640.db2.gz XVZJGBULMWPPLN-INIZCTEOSA-N 1 2 384.455 2.353 50 0 GEAALO O=C(N[C@@H]1CCC[N@H+](Cc2ccccn2)C1)c1cc(=O)c2cccc(F)c2[nH]1 ZINC000072134529 570869416 /nfs/dbraw/zinc/86/94/16/570869416.db2.gz IFDXFPYWOZBYBV-OAHLLOKOSA-N 1 2 380.423 2.457 50 0 GEAALO O=C(N[C@@H]1CCC[N@@H+](Cc2ccccn2)C1)c1cc(=O)c2cccc(F)c2[nH]1 ZINC000072134529 570869418 /nfs/dbraw/zinc/86/94/18/570869418.db2.gz IFDXFPYWOZBYBV-OAHLLOKOSA-N 1 2 380.423 2.457 50 0 GEAALO COc1ccc(C(=O)N2CCOC[C@]3(C[N@H+](Cc4ccoc4)CCO3)C2)cc1 ZINC000072146158 570871589 /nfs/dbraw/zinc/87/15/89/570871589.db2.gz JNIRVEXFHSELAW-NRFANRHFSA-N 1 2 386.448 2.032 50 0 GEAALO COc1ccc(C(=O)N2CCOC[C@]3(C[N@@H+](Cc4ccoc4)CCO3)C2)cc1 ZINC000072146158 570871591 /nfs/dbraw/zinc/87/15/91/570871591.db2.gz JNIRVEXFHSELAW-NRFANRHFSA-N 1 2 386.448 2.032 50 0 GEAALO CC(C)=CC[N@@H+]1CCNC(=O)[C@@H]1CC(=O)N(C)Cc1csc(C(C)C)n1 ZINC000072152771 570873845 /nfs/dbraw/zinc/87/38/45/570873845.db2.gz JSSANRKQEOXRET-INIZCTEOSA-N 1 2 378.542 2.382 50 0 GEAALO CC(C)=CC[N@H+]1CCNC(=O)[C@@H]1CC(=O)N(C)Cc1csc(C(C)C)n1 ZINC000072152771 570873848 /nfs/dbraw/zinc/87/38/48/570873848.db2.gz JSSANRKQEOXRET-INIZCTEOSA-N 1 2 378.542 2.382 50 0 GEAALO Cn1cc[nH+]c1[C@H](NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)c1ccccc1 ZINC000012582659 570879495 /nfs/dbraw/zinc/87/94/95/570879495.db2.gz XMTFXQLSVNQBDU-LJQANCHMSA-N 1 2 396.472 2.373 50 0 GEAALO COC[C@H](NC(=O)N(C)Cc1[nH+]ccn1Cc1ccccc1)c1ccnn1C ZINC000534670099 570920424 /nfs/dbraw/zinc/92/04/24/570920424.db2.gz KGSGPKQZOYNCPV-KRWDZBQOSA-N 1 2 382.468 2.194 50 0 GEAALO COc1ccc(CCC(=O)NCc2ccc(N3CCOCC3)[nH+]c2)cc1OC ZINC000012173115 570960729 /nfs/dbraw/zinc/96/07/29/570960729.db2.gz RLCLZWVBDDTWQD-UHFFFAOYSA-N 1 2 385.464 2.184 50 0 GEAALO Cn1ccnc1COc1ccc(C(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000047517323 570961784 /nfs/dbraw/zinc/96/17/84/570961784.db2.gz YLPKJEVHYHPTOS-UHFFFAOYSA-N 1 2 377.448 2.357 50 0 GEAALO CC(C)NC(=O)C[NH+]1CCN(c2cc(Oc3ccc(F)c(F)c3)ncn2)CC1 ZINC000037377193 570964732 /nfs/dbraw/zinc/96/47/32/570964732.db2.gz AGGSTHXVMAJUCW-UHFFFAOYSA-N 1 2 391.422 2.194 50 0 GEAALO O=C(NCC(F)(F)F)[C@H]1CCCN1C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000045844649 570998068 /nfs/dbraw/zinc/99/80/68/570998068.db2.gz WTEPZWXPJHYBDW-CQSZACIVSA-N 1 2 399.417 2.034 50 0 GEAALO O=C(NCC(F)(F)F)[C@@H]1CCCN1C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000045844650 570998131 /nfs/dbraw/zinc/99/81/31/570998131.db2.gz WTEPZWXPJHYBDW-AWEZNQCLSA-N 1 2 399.417 2.034 50 0 GEAALO COCc1cccc(C(=O)N2CC[N@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)c1 ZINC000084240603 571010109 /nfs/dbraw/zinc/01/01/09/571010109.db2.gz HQOWYGAOYBGQFL-KRWDZBQOSA-N 1 2 377.485 2.114 50 0 GEAALO COCc1cccc(C(=O)N2CC[N@@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)c1 ZINC000084240603 571010113 /nfs/dbraw/zinc/01/01/13/571010113.db2.gz HQOWYGAOYBGQFL-KRWDZBQOSA-N 1 2 377.485 2.114 50 0 GEAALO CC(C)=C1c2cc(S(=O)(=O)N3CCN(c4cccc[nH+]4)CC3)ccc2NC1=O ZINC000046053849 571015558 /nfs/dbraw/zinc/01/55/58/571015558.db2.gz QKJZGBAIWZDOEY-UHFFFAOYSA-N 1 2 398.488 2.338 50 0 GEAALO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)[C@@H]3CC(=O)N(c4cn[nH]c4)C3)n2)C1 ZINC000084697527 571030959 /nfs/dbraw/zinc/03/09/59/571030959.db2.gz JMIQBSWOSORLLG-CHWSQXEVSA-N 1 2 388.497 2.090 50 0 GEAALO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@@H]3CC(=O)N(c4cn[nH]c4)C3)n2)C1 ZINC000084697527 571030963 /nfs/dbraw/zinc/03/09/63/571030963.db2.gz JMIQBSWOSORLLG-CHWSQXEVSA-N 1 2 388.497 2.090 50 0 GEAALO COC(=O)[C@@H]1CN(C(=O)C[N@H+](C)Cc2cc(C)ccc2OC)c2ccccc2O1 ZINC000011439814 571046102 /nfs/dbraw/zinc/04/61/02/571046102.db2.gz TVDKGAPMDFBZSF-FQEVSTJZSA-N 1 2 398.459 2.403 50 0 GEAALO COC(=O)[C@@H]1CN(C(=O)C[N@@H+](C)Cc2cc(C)ccc2OC)c2ccccc2O1 ZINC000011439814 571046104 /nfs/dbraw/zinc/04/61/04/571046104.db2.gz TVDKGAPMDFBZSF-FQEVSTJZSA-N 1 2 398.459 2.403 50 0 GEAALO CCn1cc(C(=O)N2CCC[C@@H](c3nnc(C[NH+]4CCCCC4)n3C)C2)cn1 ZINC000426526109 231235804 /nfs/dbraw/zinc/23/58/04/231235804.db2.gz MIZSIAJZIVULAI-MRXNPFEDSA-N 1 2 385.516 2.037 50 0 GEAALO O=C(NCCCn1ncc2ccccc21)N1CC[NH+](Cc2cccnc2)CC1 ZINC000426612568 231247155 /nfs/dbraw/zinc/24/71/55/231247155.db2.gz POMSHKNMBWYXOZ-UHFFFAOYSA-N 1 2 378.480 2.349 50 0 GEAALO Cc1noc(-c2csc(S(=O)(=O)NCCC[NH+]3CCOCC3)c2)c1C ZINC000044890947 531687686 /nfs/dbraw/zinc/68/76/86/531687686.db2.gz BDPQFPWEEIUUDC-UHFFFAOYSA-N 1 2 385.511 2.021 50 0 GEAALO CC[NH+]1CCN(S(=O)(=O)c2c(C)nn(-c3ccc(Cl)cc3)c2C)CC1 ZINC000064946995 531873037 /nfs/dbraw/zinc/87/30/37/531873037.db2.gz GWNGIWAKAZDPBA-UHFFFAOYSA-N 1 2 382.917 2.469 50 0 GEAALO NC(=O)[C@H]1CCC[N@H+](Cc2cc(Br)cc(Br)c2N)C1 ZINC000170596329 531883433 /nfs/dbraw/zinc/88/34/33/531883433.db2.gz IBQLWLCPOHEZBW-QMMMGPOBSA-N 1 2 391.107 2.491 50 0 GEAALO NC(=O)[C@H]1CCC[N@@H+](Cc2cc(Br)cc(Br)c2N)C1 ZINC000170596329 531883439 /nfs/dbraw/zinc/88/34/39/531883439.db2.gz IBQLWLCPOHEZBW-QMMMGPOBSA-N 1 2 391.107 2.491 50 0 GEAALO O=S(=O)(c1ccccc1C(F)(F)F)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000173752386 532030581 /nfs/dbraw/zinc/03/05/81/532030581.db2.gz HNOSGEWUDJVHPU-CYBMUJFWSA-N 1 2 378.416 2.191 50 0 GEAALO Cc1cc2nc(C[N@@H+]3CCC[C@@H](Nc4ccc5c(c4)OCO5)C3)cc(=O)n2[nH]1 ZINC000072172888 209110264 /nfs/dbraw/zinc/11/02/64/209110264.db2.gz AWLVHSVNICHCTI-OAHLLOKOSA-N 1 2 381.436 2.136 50 0 GEAALO Cc1cc2nc(C[N@H+]3CCC[C@@H](Nc4ccc5c(c4)OCO5)C3)cc(=O)n2[nH]1 ZINC000072172888 209110268 /nfs/dbraw/zinc/11/02/68/209110268.db2.gz AWLVHSVNICHCTI-OAHLLOKOSA-N 1 2 381.436 2.136 50 0 GEAALO O=S(=O)(N[C@H]1CCN(c2cccc[nH+]2)C1)c1ccccc1Br ZINC000159294813 206305480 /nfs/dbraw/zinc/30/54/80/206305480.db2.gz DFUANHUFIJZEOZ-LBPRGKRZSA-N 1 2 382.283 2.401 50 0 GEAALO CC(=O)N1CCN(c2[nH+]cccc2CNC(=O)c2ccc(Cl)c(F)c2)CC1 ZINC000012300133 206880109 /nfs/dbraw/zinc/88/01/09/206880109.db2.gz OFWOZXTUIBOXNI-UHFFFAOYSA-N 1 2 390.846 2.473 50 0 GEAALO Cc1ccc(NC(=O)C[NH+]2CCC(NS(=O)(=O)c3ccccc3)CC2)cc1 ZINC000014095215 207009807 /nfs/dbraw/zinc/00/98/07/207009807.db2.gz AXBMQACDLMBJJW-UHFFFAOYSA-N 1 2 387.505 2.376 50 0 GEAALO Cc1nn(-c2ccccc2)c(C)c1S(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000013947408 207006499 /nfs/dbraw/zinc/00/64/99/207006499.db2.gz QLHDKTBDIBIEHA-UHFFFAOYSA-N 1 2 397.504 2.395 50 0 GEAALO COc1ccc(C[N@@H+]2CCNC(=O)[C@H]2CC(=O)NCc2ccc(C)cc2)cc1C ZINC000015071349 207044121 /nfs/dbraw/zinc/04/41/21/207044121.db2.gz KTFAMDSHVNVXFM-HXUWFJFHSA-N 1 2 395.503 2.319 50 0 GEAALO COc1ccc(C[N@H+]2CCNC(=O)[C@H]2CC(=O)NCc2ccc(C)cc2)cc1C ZINC000015071349 207044126 /nfs/dbraw/zinc/04/41/26/207044126.db2.gz KTFAMDSHVNVXFM-HXUWFJFHSA-N 1 2 395.503 2.319 50 0 GEAALO O=C1C[C@@H]([NH+]2CCN(c3ccc(O)cc3)CC2)C(=O)N1c1ccc(Cl)cc1 ZINC000018116225 207093631 /nfs/dbraw/zinc/09/36/31/207093631.db2.gz VJVRJUHWOWKTHB-GOSISDBHSA-N 1 2 385.851 2.500 50 0 GEAALO O=C(CN1C(=O)c2ccccc2C1=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000019314400 207114518 /nfs/dbraw/zinc/11/45/18/207114518.db2.gz ATDADNWATXMHDF-RMKNXTFCSA-N 1 2 389.455 2.140 50 0 GEAALO OCCOc1cccc(CN2CC[N@H+](Cc3ccc(F)cc3)[C@@H](CCO)C2)c1 ZINC000019595390 207143299 /nfs/dbraw/zinc/14/32/99/207143299.db2.gz DAGJCTQKCNBBTD-NRFANRHFSA-N 1 2 388.483 2.266 50 0 GEAALO OCCOc1cccc(CN2CC[N@@H+](Cc3ccc(F)cc3)[C@@H](CCO)C2)c1 ZINC000019595390 207143304 /nfs/dbraw/zinc/14/33/04/207143304.db2.gz DAGJCTQKCNBBTD-NRFANRHFSA-N 1 2 388.483 2.266 50 0 GEAALO Cc1nc(N2CCc3c(cnc(C)c3-c3noc([C@H]4CCC(=O)N4)n3)C2)cc[nH+]1 ZINC000019811496 207163477 /nfs/dbraw/zinc/16/34/77/207163477.db2.gz DBWWOMLWDHTDKW-OAHLLOKOSA-N 1 2 391.435 2.052 50 0 GEAALO C[C@@H](C[NH+]1CCOCC1)OC(=O)c1ccccc1I ZINC000020058140 207175661 /nfs/dbraw/zinc/17/56/61/207175661.db2.gz PSXNZDXGTJSVTM-NSHDSACASA-N 1 2 375.206 2.169 50 0 GEAALO O=C1C[C@H](/C=C/c2ccccc2)Cc2nc(N3CC[NH+](CCO)CC3)ncc21 ZINC000020064271 207176366 /nfs/dbraw/zinc/17/63/66/207176366.db2.gz JQUQTCVBILIRCA-IPLHWJFFSA-N 1 2 378.476 2.049 50 0 GEAALO COc1ccc(S(=O)(=O)NCCC[NH+]2CCOCC2)c(Cl)c1Cl ZINC000020052213 207176440 /nfs/dbraw/zinc/17/64/40/207176440.db2.gz UXWNZZZERBUGTK-UHFFFAOYSA-N 1 2 383.297 2.003 50 0 GEAALO Cc1cc(Br)c(S(=O)(=O)NCCC[NH+]2CCOCC2)cc1C ZINC000019898259 207169974 /nfs/dbraw/zinc/16/99/74/207169974.db2.gz KMGMYMOZFPQWCA-UHFFFAOYSA-N 1 2 391.331 2.067 50 0 GEAALO CCOC(=O)c1c2c(sc1NC(=O)CC[NH+]1CCOCC1)COC(C)(C)C2 ZINC000019907386 207170338 /nfs/dbraw/zinc/17/03/38/207170338.db2.gz SYBKPKIDJKMCKV-UHFFFAOYSA-N 1 2 396.509 2.437 50 0 GEAALO COc1ccccc1NC(=O)CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000019928555 207170507 /nfs/dbraw/zinc/17/05/07/207170507.db2.gz HTRHRRDTPDRCPL-UHFFFAOYSA-N 1 2 383.448 2.180 50 0 GEAALO Cc1ccc(C)c(N2CC[NH+](CC(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)CC2)c1 ZINC000020177086 207183278 /nfs/dbraw/zinc/18/32/78/207183278.db2.gz SYHDNMCZVNDWEW-UHFFFAOYSA-N 1 2 379.464 2.234 50 0 GEAALO Cc1c[nH]c(C(=O)N2CCC3(CC2)c2ccccc2[C@@H](n2cc[nH+]c2)[C@@H]3O)n1 ZINC000020907640 207219582 /nfs/dbraw/zinc/21/95/82/207219582.db2.gz MVRRDPUCMGBGGC-MSOLQXFVSA-N 1 2 377.448 2.053 50 0 GEAALO O=C([C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000020727422 207212367 /nfs/dbraw/zinc/21/23/67/207212367.db2.gz CHDCJDKQEYKCCP-HNNXBMFYSA-N 1 2 384.867 2.437 50 0 GEAALO CC[C@H](C)C(=O)NCc1nnc2n1CC[N@@H+](Cc1cccc(F)c1F)CC2 ZINC000020994670 207223714 /nfs/dbraw/zinc/22/37/14/207223714.db2.gz PHBMHFAUZMKNGB-ZDUSSCGKSA-N 1 2 377.439 2.277 50 0 GEAALO CC[C@H](C)C(=O)NCc1nnc2n1CC[N@H+](Cc1cccc(F)c1F)CC2 ZINC000020994670 207223719 /nfs/dbraw/zinc/22/37/19/207223719.db2.gz PHBMHFAUZMKNGB-ZDUSSCGKSA-N 1 2 377.439 2.277 50 0 GEAALO O=C(c1ccc2c(c1)NC(=O)[C@@H]1CCCCN21)N1CCN(c2cccc[nH+]2)CC1 ZINC000021646825 207234086 /nfs/dbraw/zinc/23/40/86/207234086.db2.gz QBJNVKQCAFYCJF-IBGZPJMESA-N 1 2 391.475 2.355 50 0 GEAALO CCS(=O)(=O)N1CCN(c2cc(Nc3ccc(C)cc3)nc(C)[nH+]2)CC1 ZINC000021794751 207238503 /nfs/dbraw/zinc/23/85/03/207238503.db2.gz ZBUHQXKDWDIOOU-UHFFFAOYSA-N 1 2 375.498 2.309 50 0 GEAALO CC[NH+]1CCN(C(=O)[C@H](C)Sc2nnnn2-c2ccc(C(C)C)cc2)CC1 ZINC000022309861 207251809 /nfs/dbraw/zinc/25/18/09/207251809.db2.gz JTNKDIKTZKLCIL-HNNXBMFYSA-N 1 2 388.541 2.430 50 0 GEAALO O=C(CN1CC[NH+](C/C=C/c2ccccc2)CC1)Nc1cccc2nonc21 ZINC000022752036 207260217 /nfs/dbraw/zinc/26/02/17/207260217.db2.gz KTHDETWTQNIOEK-VMPITWQZSA-N 1 2 377.448 2.492 50 0 GEAALO C[C@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(CN1CC[NH+](Cc3ccncc3)CC1)C2=O ZINC000022799119 207261482 /nfs/dbraw/zinc/26/14/82/207261482.db2.gz IZEMNWBWEYKXEP-VGOFRKELSA-N 1 2 399.539 2.294 50 0 GEAALO CN(Cc1ccccc1)C(=O)CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000022773084 207261679 /nfs/dbraw/zinc/26/16/79/207261679.db2.gz OKHMCLYELBMHPB-UHFFFAOYSA-N 1 2 381.476 2.192 50 0 GEAALO CN(Cc1ccccc1)C(=O)C[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000022773084 207261685 /nfs/dbraw/zinc/26/16/85/207261685.db2.gz OKHMCLYELBMHPB-UHFFFAOYSA-N 1 2 381.476 2.192 50 0 GEAALO CCn1cc(NC(=O)Cn2cc(-c3ccc(Cn4cc[nH+]c4)cc3)cn2)nn1 ZINC000023158378 207271060 /nfs/dbraw/zinc/27/10/60/207271060.db2.gz FGBPMLSEVQRQOA-UHFFFAOYSA-N 1 2 376.424 2.045 50 0 GEAALO C[C@@H](C(=O)Nc1c(Cl)cccc1Cl)N1CC[NH+](CC(=O)NC2CC2)CC1 ZINC000023248891 207271622 /nfs/dbraw/zinc/27/16/22/207271622.db2.gz STYMNJHVUNECST-LBPRGKRZSA-N 1 2 399.322 2.217 50 0 GEAALO COc1cc(C)c(C[NH+]2CCN(CC(=O)N3CCC(C)CC3)CC2)cc1OC ZINC000023257364 207272373 /nfs/dbraw/zinc/27/23/73/207272373.db2.gz VSOBIMDXBVSONB-UHFFFAOYSA-N 1 2 389.540 2.388 50 0 GEAALO COc1cc(C)c(CN2CC[NH+](CC(=O)N3CCC(C)CC3)CC2)cc1OC ZINC000023257364 207272377 /nfs/dbraw/zinc/27/23/77/207272377.db2.gz VSOBIMDXBVSONB-UHFFFAOYSA-N 1 2 389.540 2.388 50 0 GEAALO CCN1CC[NH+](C2(C(=O)NCC[C@@H]3CCCCO3)Cc3ccccc3C2)CC1 ZINC000023374749 207276645 /nfs/dbraw/zinc/27/66/45/207276645.db2.gz WAJWBAZXEALFPA-NRFANRHFSA-N 1 2 385.552 2.237 50 0 GEAALO COc1cccc(CN2CC[N@H+](Cc3cnc(N(C)C)s3)C[C@@H]2CCO)c1 ZINC000023374244 207277002 /nfs/dbraw/zinc/27/70/02/207277002.db2.gz SRJVSXDOHSNJPY-KRWDZBQOSA-N 1 2 390.553 2.287 50 0 GEAALO COc1cccc(CN2CC[N@@H+](Cc3cnc(N(C)C)s3)C[C@@H]2CCO)c1 ZINC000023374244 207277007 /nfs/dbraw/zinc/27/70/07/207277007.db2.gz SRJVSXDOHSNJPY-KRWDZBQOSA-N 1 2 390.553 2.287 50 0 GEAALO C[C@@H](c1nc(C(C)(C)C)no1)N1CC[NH+](Cc2cc(=O)n3ccccc3n2)CC1 ZINC000022914907 207265202 /nfs/dbraw/zinc/26/52/02/207265202.db2.gz MTXBKEVIJWCZQZ-HNNXBMFYSA-N 1 2 396.495 2.254 50 0 GEAALO Cc1ccc(S(=O)(=O)N2CCC[N@@H+]([C@@H](C)C(=O)NC3CCCC3)CC2)cc1 ZINC000023039995 207266666 /nfs/dbraw/zinc/26/66/66/207266666.db2.gz AZLAARUWNRGGMJ-KRWDZBQOSA-N 1 2 393.553 2.139 50 0 GEAALO Cc1ccc(S(=O)(=O)N2CCC[N@H+]([C@@H](C)C(=O)NC3CCCC3)CC2)cc1 ZINC000023039995 207266671 /nfs/dbraw/zinc/26/66/71/207266671.db2.gz AZLAARUWNRGGMJ-KRWDZBQOSA-N 1 2 393.553 2.139 50 0 GEAALO O=C(CCNC(=O)Nc1ccccc1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000023675455 207281484 /nfs/dbraw/zinc/28/14/84/207281484.db2.gz NWRABSCSKIPHNQ-UHFFFAOYSA-N 1 2 396.491 2.421 50 0 GEAALO O=C(CN1CCN(c2ccccc2)CC1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000023694100 207281496 /nfs/dbraw/zinc/28/14/96/207281496.db2.gz SKZBNUNFBCIVBU-UHFFFAOYSA-N 1 2 394.519 2.280 50 0 GEAALO O=C(c1cccs1)N1CCC[C@H]1C(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000023995060 207285483 /nfs/dbraw/zinc/28/54/83/207285483.db2.gz VSVGQQXIYVZPKZ-KRWDZBQOSA-N 1 2 384.505 2.092 50 0 GEAALO COc1cccc([C@@H](NC(=O)c2n[nH]c(=O)c3ccccc32)c2[nH+]ccn2C)c1 ZINC000024016973 207285999 /nfs/dbraw/zinc/28/59/99/207285999.db2.gz BQJZHFHVEGOLKX-QGZVFWFLSA-N 1 2 389.415 2.185 50 0 GEAALO CCOc1ccc(S(=O)(=O)N2CC[NH+](C[C@H](O)c3ccccc3)CC2)cc1 ZINC000023466416 207277995 /nfs/dbraw/zinc/27/79/95/207277995.db2.gz ZIVMIODCRRJSCV-FQEVSTJZSA-N 1 2 390.505 2.125 50 0 GEAALO Cc1c[nH]c(CNC(=O)c2ccc(OC3CCN(C(=O)C4CC4)CC3)cc2)[nH+]1 ZINC000023619016 207280055 /nfs/dbraw/zinc/28/00/55/207280055.db2.gz AUCHYCXILRWLQE-UHFFFAOYSA-N 1 2 382.464 2.428 50 0 GEAALO CN(Cc1cnn(-c2ccccc2)c1)C(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000024572587 207292342 /nfs/dbraw/zinc/29/23/42/207292342.db2.gz OCBCAQPHNQEDOJ-UHFFFAOYSA-N 1 2 390.491 2.048 50 0 GEAALO COc1ccc(OC)c(C[N@H+](CC(=O)NC(=O)NCc2ccco2)C2CC2)c1 ZINC000027603463 207329421 /nfs/dbraw/zinc/32/94/21/207329421.db2.gz VPOMCOOHFDZELQ-UHFFFAOYSA-N 1 2 387.436 2.287 50 0 GEAALO COc1ccc(OC)c(C[N@@H+](CC(=O)NC(=O)NCc2ccco2)C2CC2)c1 ZINC000027603463 207329425 /nfs/dbraw/zinc/32/94/25/207329425.db2.gz VPOMCOOHFDZELQ-UHFFFAOYSA-N 1 2 387.436 2.287 50 0 GEAALO Cn1cc[nH+]c1[C@H](NC(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)c1ccccc1 ZINC000027415804 207325075 /nfs/dbraw/zinc/32/50/75/207325075.db2.gz IFOOIYJJIZRSKX-JENIJYKNSA-N 1 2 394.475 2.191 50 0 GEAALO Cn1cc[nH+]c1[C@@H](NC(=O)CCn1c2ccccc2n(C)c1=O)c1ccccc1 ZINC000040033879 207336816 /nfs/dbraw/zinc/33/68/16/207336816.db2.gz RNDGIGYQKXAGNV-FQEVSTJZSA-N 1 2 389.459 2.369 50 0 GEAALO Cn1cc[nH+]c1[C@@H](NC(=O)CCn1cnc2ccccc2c1=O)c1ccccc1 ZINC000032493664 207396626 /nfs/dbraw/zinc/39/66/26/207396626.db2.gz UEDJYHYQJSTKSJ-FQEVSTJZSA-N 1 2 387.443 2.426 50 0 GEAALO CC[C@H](Oc1ccccc1)C(=O)N1CCc2c([nH+]c(N(C)C)nc2N(C)C)C1 ZINC000071757274 207954585 /nfs/dbraw/zinc/95/45/85/207954585.db2.gz MILFKLYJZZBIHG-SFHVURJKSA-N 1 2 383.496 2.351 50 0 GEAALO C[N@@H+]1CCc2n[nH]c(C(=O)N3CCC[C@@H]3c3nc(-c4ccccc4)no3)c2C1 ZINC000077535568 208049979 /nfs/dbraw/zinc/04/99/79/208049979.db2.gz BJUKGOSULFHILZ-MRXNPFEDSA-N 1 2 378.436 2.425 50 0 GEAALO C[N@H+]1CCc2n[nH]c(C(=O)N3CCC[C@@H]3c3nc(-c4ccccc4)no3)c2C1 ZINC000077535568 208049984 /nfs/dbraw/zinc/04/99/84/208049984.db2.gz BJUKGOSULFHILZ-MRXNPFEDSA-N 1 2 378.436 2.425 50 0 GEAALO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2cscn2)C[C@@H]1CCO ZINC000072419497 208018569 /nfs/dbraw/zinc/01/85/69/208018569.db2.gz WNPTVEPWLRVVKI-INIZCTEOSA-N 1 2 375.494 2.251 50 0 GEAALO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2cscn2)C[C@@H]1CCO ZINC000072419497 208018575 /nfs/dbraw/zinc/01/85/75/208018575.db2.gz WNPTVEPWLRVVKI-INIZCTEOSA-N 1 2 375.494 2.251 50 0 GEAALO COc1cc(C)ccc1CN1CC[N@H+](CCC(C)C)[C@H]2CS(=O)(=O)C[C@H]21 ZINC000072432131 208025337 /nfs/dbraw/zinc/02/53/37/208025337.db2.gz LAZFEWSRORSDOQ-RBUKOAKNSA-N 1 2 380.554 2.333 50 0 GEAALO COc1cc(C)ccc1CN1CC[N@@H+](CCC(C)C)[C@H]2CS(=O)(=O)C[C@H]21 ZINC000072432131 208025340 /nfs/dbraw/zinc/02/53/40/208025340.db2.gz LAZFEWSRORSDOQ-RBUKOAKNSA-N 1 2 380.554 2.333 50 0 GEAALO O=C(N[C@H]1CC[C@H]1[NH2+]C1CCOCC1)c1c[nH]c2cc(Cl)ccc2c1=O ZINC000072477845 208030765 /nfs/dbraw/zinc/03/07/65/208030765.db2.gz ZADUOMXXOCDCAP-CVEARBPZSA-N 1 2 375.856 2.211 50 0 GEAALO Cc1cc2c(cc1-c1[nH+]ccn1C[C@H]1CCCN(S(C)(=O)=O)C1)OCO2 ZINC000077320900 208038479 /nfs/dbraw/zinc/03/84/79/208038479.db2.gz IKMBZFQBBHNOOC-CQSZACIVSA-N 1 2 377.466 2.259 50 0 GEAALO CCn1c(C[NH+](C)C)nnc1C1CCN(C(=O)c2cccc(N(C)C)c2)CC1 ZINC000077300462 208039727 /nfs/dbraw/zinc/03/97/27/208039727.db2.gz LJTJIIZVHKTEEJ-UHFFFAOYSA-N 1 2 384.528 2.445 50 0 GEAALO C[N@H+](CC(=O)N1CCC[C@]2(CCC(=O)N(CC3CC3)C2)C1)Cc1ccncc1 ZINC000077378602 208040680 /nfs/dbraw/zinc/04/06/80/208040680.db2.gz MOOXTHYYFNGTII-QFIPXVFZSA-N 1 2 384.524 2.155 50 0 GEAALO C[N@@H+](CC(=O)N1CCC[C@]2(CCC(=O)N(CC3CC3)C2)C1)Cc1ccncc1 ZINC000077378602 208040685 /nfs/dbraw/zinc/04/06/85/208040685.db2.gz MOOXTHYYFNGTII-QFIPXVFZSA-N 1 2 384.524 2.155 50 0 GEAALO COCC1(C(=O)N2CCC(c3nnc(C[NH+](C)C)n3C3CC3)CC2)CCC1 ZINC000082091554 208078192 /nfs/dbraw/zinc/07/81/92/208078192.db2.gz SGVQARVCIFWBCJ-UHFFFAOYSA-N 1 2 375.517 2.197 50 0 GEAALO Cc1nn2c(nc(C[NH+]3CCC4(CCC(=O)N(C5CCCC5)C4)CC3)cc2=O)[nH]1 ZINC000091552074 208123843 /nfs/dbraw/zinc/12/38/43/208123843.db2.gz ALFUJRDEGWQZHD-UHFFFAOYSA-N 1 2 398.511 2.286 50 0 GEAALO Cc1ccc2[nH]c(C[N@@H+](C)Cc3cc(=O)c4cc(C(N)=O)ccc4[nH]3)nc2c1 ZINC000091586909 208125769 /nfs/dbraw/zinc/12/57/69/208125769.db2.gz HHQMHSIEFXJVCT-UHFFFAOYSA-N 1 2 375.432 2.444 50 0 GEAALO Cc1ccc2[nH]c(C[N@H+](C)Cc3cc(=O)c4cc(C(N)=O)ccc4[nH]3)nc2c1 ZINC000091586909 208125776 /nfs/dbraw/zinc/12/57/76/208125776.db2.gz HHQMHSIEFXJVCT-UHFFFAOYSA-N 1 2 375.432 2.444 50 0 GEAALO Cc1ccc2nc(C[N@@H+](C)Cc3cc(=O)c4cc(C(N)=O)ccc4[nH]3)[nH]c2c1 ZINC000091586909 208125781 /nfs/dbraw/zinc/12/57/81/208125781.db2.gz HHQMHSIEFXJVCT-UHFFFAOYSA-N 1 2 375.432 2.444 50 0 GEAALO Cc1ccc2nc(C[N@H+](C)Cc3cc(=O)c4cc(C(N)=O)ccc4[nH]3)[nH]c2c1 ZINC000091586909 208125785 /nfs/dbraw/zinc/12/57/85/208125785.db2.gz HHQMHSIEFXJVCT-UHFFFAOYSA-N 1 2 375.432 2.444 50 0 GEAALO O=C(NCC1(Cn2cc[nH+]c2)CC1)c1cnc(COc2ccccc2)[nH]c1=O ZINC000091636873 208129799 /nfs/dbraw/zinc/12/97/99/208129799.db2.gz JARNSUMEJRHWHD-UHFFFAOYSA-N 1 2 379.420 2.168 50 0 GEAALO O=C(COc1ccc2c(c1)CCC2)N1CCC([N@@H+]2CCn3ccnc3C2)CC1 ZINC000089807653 208108999 /nfs/dbraw/zinc/10/89/99/208108999.db2.gz FJNMGZSYBVIEGV-UHFFFAOYSA-N 1 2 380.492 2.257 50 0 GEAALO O=C(COc1ccc2c(c1)CCC2)N1CCC([N@H+]2CCn3ccnc3C2)CC1 ZINC000089807653 208109006 /nfs/dbraw/zinc/10/90/06/208109006.db2.gz FJNMGZSYBVIEGV-UHFFFAOYSA-N 1 2 380.492 2.257 50 0 GEAALO O=C(COc1ccc2c(c1)CCC2)N1CCC(N2CCn3cc[nH+]c3C2)CC1 ZINC000089807653 208109012 /nfs/dbraw/zinc/10/90/12/208109012.db2.gz FJNMGZSYBVIEGV-UHFFFAOYSA-N 1 2 380.492 2.257 50 0 GEAALO Cc1cc(F)cc([C@H](C(=O)[O-])[NH+]2CCC(C(N)=O)([NH+]3CCCCC3)CC2)c1 ZINC000095352476 208157702 /nfs/dbraw/zinc/15/77/02/208157702.db2.gz MVDNNGYELOWINV-QGZVFWFLSA-N 1 2 377.460 2.066 50 0 GEAALO O=C(c1cc(-c2ccccc2)[nH]n1)N1CC[C@H]([NH+]2CCOCC2)[C@H](CCCO)C1 ZINC000095356616 208158203 /nfs/dbraw/zinc/15/82/03/208158203.db2.gz MOUABUFJVWZPKT-NQIIRXRSSA-N 1 2 398.507 2.012 50 0 GEAALO COc1ccc2[nH]cc(C3=CC[N@H+](CC(=O)NCC(=O)N4CCCC4)CC3)c2c1 ZINC000095356907 208159193 /nfs/dbraw/zinc/15/91/93/208159193.db2.gz IQXMDUMRTCIZRG-UHFFFAOYSA-N 1 2 396.491 2.004 50 0 GEAALO COc1ccc2[nH]cc(C3=CC[N@@H+](CC(=O)NCC(=O)N4CCCC4)CC3)c2c1 ZINC000095356907 208159199 /nfs/dbraw/zinc/15/91/99/208159199.db2.gz IQXMDUMRTCIZRG-UHFFFAOYSA-N 1 2 396.491 2.004 50 0 GEAALO O=C(CN1CC[NH+](CC(=O)N2CCCC2)CC1)Nc1cccc2ccccc21 ZINC000095357363 208160019 /nfs/dbraw/zinc/16/00/19/208160019.db2.gz UGJIRJHQPHCUIW-UHFFFAOYSA-N 1 2 380.492 2.018 50 0 GEAALO Cn1nc(C[N@@H+]2C[C@H]3CC[C@@H]2CN(S(C)(=O)=O)C3)c2c1cccc2Cl ZINC000095372765 208165958 /nfs/dbraw/zinc/16/59/58/208165958.db2.gz PSBYPXFNUXPKOO-CHWSQXEVSA-N 1 2 382.917 2.083 50 0 GEAALO Cn1nc(C[N@H+]2C[C@H]3CC[C@@H]2CN(S(C)(=O)=O)C3)c2c1cccc2Cl ZINC000095372765 208165964 /nfs/dbraw/zinc/16/59/64/208165964.db2.gz PSBYPXFNUXPKOO-CHWSQXEVSA-N 1 2 382.917 2.083 50 0 GEAALO Cc1ccc([C@H](C(=O)[O-])[NH+]2CCC(C(N)=O)([NH+]3CCCCC3)CC2)c(F)c1 ZINC000095376230 208169204 /nfs/dbraw/zinc/16/92/04/208169204.db2.gz XYRDPIVLSUSKOT-QGZVFWFLSA-N 1 2 377.460 2.066 50 0 GEAALO O=C(c1ccccc1O)N1CCC[C@@]2(CCC(=O)N(CCc3c[nH+]c[nH]3)C2)C1 ZINC000091849253 208142421 /nfs/dbraw/zinc/14/24/21/208142421.db2.gz ZTSWXRYIJLIHAV-NRFANRHFSA-N 1 2 382.464 2.203 50 0 GEAALO O=C(c1ccccc1O)N1CCC[C@@]2(CCC(=O)N(CCc3c[nH]c[nH+]3)C2)C1 ZINC000091849253 208142426 /nfs/dbraw/zinc/14/24/26/208142426.db2.gz ZTSWXRYIJLIHAV-NRFANRHFSA-N 1 2 382.464 2.203 50 0 GEAALO Cc1cccnc1C[NH+]1CCN(C(=O)c2ccc(C)c(N3CCNC3=O)c2)CC1 ZINC000091933932 208142732 /nfs/dbraw/zinc/14/27/32/208142732.db2.gz JLTWJPVAMWZPJB-UHFFFAOYSA-N 1 2 393.491 2.186 50 0 GEAALO Cc1ccc(C(=O)N2CCC3(CC2)c2[nH+]c[nH]c2CCN3C(=O)C2CC2)cn1 ZINC000091951340 208144796 /nfs/dbraw/zinc/14/47/96/208144796.db2.gz JVWDXVBHDSSVAZ-UHFFFAOYSA-N 1 2 379.464 2.039 50 0 GEAALO O=C(CCc1cn2ccccc2[nH+]1)N1C[C@H]2CC[C@@H]1CN(c1ncccn1)C2 ZINC000091932477 208145074 /nfs/dbraw/zinc/14/50/74/208145074.db2.gz BHJXHDJNGHLZPH-FUHWJXTLSA-N 1 2 376.464 2.184 50 0 GEAALO COc1cccc([C@@H]2CCCN2C(=O)COC(=O)C[N@H+](C)[C@@H]2CCSC2)c1 ZINC000095452638 208183363 /nfs/dbraw/zinc/18/33/63/208183363.db2.gz BSJIIIBNFAAYMS-AEFFLSMTSA-N 1 2 392.521 2.339 50 0 GEAALO COc1cccc([C@@H]2CCCN2C(=O)COC(=O)C[N@@H+](C)[C@@H]2CCSC2)c1 ZINC000095452638 208183367 /nfs/dbraw/zinc/18/33/67/208183367.db2.gz BSJIIIBNFAAYMS-AEFFLSMTSA-N 1 2 392.521 2.339 50 0 GEAALO O=C(N[C@@H](CN1CCOCC1)c1ccccc1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000095458336 208185566 /nfs/dbraw/zinc/18/55/66/208185566.db2.gz IQNNOICLUOENKM-FQEVSTJZSA-N 1 2 377.448 2.071 50 0 GEAALO COc1ccc(-c2cc(C(=O)N3CC[NH+](CCc4ccncc4)CC3)[nH]n2)cc1 ZINC000095472366 208191553 /nfs/dbraw/zinc/19/15/53/208191553.db2.gz MRQKQWPEDOHVQU-UHFFFAOYSA-N 1 2 391.475 2.481 50 0 GEAALO Cc1[nH+]c2n(c1CN1CCN([C@@H](C(N)=O)c3ccc(F)cc3)CC1)CCCC2 ZINC000095466679 208191718 /nfs/dbraw/zinc/19/17/18/208191718.db2.gz GZRJPQRLOMMWMZ-HXUWFJFHSA-N 1 2 385.487 2.011 50 0 GEAALO CCOCC(=O)N1CCC(C(=O)N2CCC(c3[nH+]ccn3C(C)C)CC2)CC1 ZINC000095501144 208200226 /nfs/dbraw/zinc/20/02/26/208200226.db2.gz CBHFAGMTXZRNBT-UHFFFAOYSA-N 1 2 390.528 2.445 50 0 GEAALO CCc1c(C)cc(C(=O)N2CCC[C@H](c3[nH+]ccn3CCOC)C2)c(=O)n1C ZINC000095499803 208201501 /nfs/dbraw/zinc/20/15/01/208201501.db2.gz AUZWGAKIORQZAE-INIZCTEOSA-N 1 2 386.496 2.119 50 0 GEAALO NC(=O)Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2ccc3cccc(F)c3n2)C1 ZINC000095501766 208201593 /nfs/dbraw/zinc/20/15/93/208201593.db2.gz JHXGKZBLTZGBOZ-AWEZNQCLSA-N 1 2 381.411 2.076 50 0 GEAALO CCCc1cc(C(=O)N2CCC3(CC2)c2[nH+]c[nH]c2CCN3C(=O)CC)n(C)n1 ZINC000095502069 208203438 /nfs/dbraw/zinc/20/34/38/208203438.db2.gz TWRBVDKXAPMMAV-UHFFFAOYSA-N 1 2 398.511 2.022 50 0 GEAALO CCn1cc[nH+]c1C1CCN(C(=O)[C@H](c2cccnc2)N2CCOCC2)CC1 ZINC000095504827 208204018 /nfs/dbraw/zinc/20/40/18/208204018.db2.gz WEXXFWHVCYEPQU-IBGZPJMESA-N 1 2 383.496 2.078 50 0 GEAALO Cc1ccc(C(=O)NC2CC[NH+](CN3C[C@H](c4ccccn4)CC3=O)CC2)o1 ZINC000095959178 208243641 /nfs/dbraw/zinc/24/36/41/208243641.db2.gz AJYUYIFMMSXRLF-MRXNPFEDSA-N 1 2 382.464 2.151 50 0 GEAALO CCC(=O)N1CCc2[nH]c[nH+]c2C12CCN(C(=O)Cc1ccc(F)cc1)CC2 ZINC000095510521 208211585 /nfs/dbraw/zinc/21/15/85/208211585.db2.gz WNZNIFIQZJMTBE-UHFFFAOYSA-N 1 2 384.455 2.404 50 0 GEAALO CSCC[C@H](O)C(=O)N1CCC(c2[nH+]ccn2Cc2cscn2)CC1 ZINC000095508207 208211794 /nfs/dbraw/zinc/21/17/94/208211794.db2.gz FSWIRJYXJZQICA-HNNXBMFYSA-N 1 2 380.539 2.208 50 0 GEAALO Cn1cc(CCC(=O)N2CCC[C@@H](c3[nH+]ccn3Cc3ccncc3)C2)cn1 ZINC000095518636 208215638 /nfs/dbraw/zinc/21/56/38/208215638.db2.gz WATJIICARUBVGE-LJQANCHMSA-N 1 2 378.480 2.399 50 0 GEAALO O=C(CCN1CCCC1=O)N1CCC[C@@H](c2[nH+]ccn2Cc2ccncc2)C1 ZINC000095516890 208216934 /nfs/dbraw/zinc/21/69/34/208216934.db2.gz VFWPKFQOUSYIEN-GOSISDBHSA-N 1 2 381.480 2.045 50 0 GEAALO COCCn1cc[nH+]c1C1CCN(C(=O)c2cc3c([nH]c2=O)CCCC3)CC1 ZINC000095518044 208217783 /nfs/dbraw/zinc/21/77/83/208217783.db2.gz BPOFBILZRFBWDJ-UHFFFAOYSA-N 1 2 384.480 2.116 50 0 GEAALO Cn1cc(CCC(=O)N2CCC[C@@H](c3[nH+]ccn3Cc3ccccn3)C2)cn1 ZINC000095524108 208223027 /nfs/dbraw/zinc/22/30/27/208223027.db2.gz CYIKKRLZNIGZOK-GOSISDBHSA-N 1 2 378.480 2.399 50 0 GEAALO CCCn1ncc(C(=O)N2CCC3(CC2)c2[nH+]c[nH]c2CCN3C(=O)CC)c1C ZINC000095531813 208229469 /nfs/dbraw/zinc/22/94/69/208229469.db2.gz JNVVEAGTISQJDK-UHFFFAOYSA-N 1 2 398.511 2.251 50 0 GEAALO CCCN(Cc1[nH+]ccn1C)C(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000096131096 208266379 /nfs/dbraw/zinc/26/63/79/208266379.db2.gz CGJKCFJTQZRSOZ-UHFFFAOYSA-N 1 2 385.877 2.165 50 0 GEAALO COc1cccc(Cn2nnc3cc(C(=O)NCCc4c[nH+]c[nH]4)ccc32)c1 ZINC000096325956 208309406 /nfs/dbraw/zinc/30/94/06/208309406.db2.gz WIWSGOXPNOYYED-UHFFFAOYSA-N 1 2 376.420 2.184 50 0 GEAALO COc1cccc(Cn2nnc3cc(C(=O)NCCc4c[nH]c[nH+]4)ccc32)c1 ZINC000096325956 208309414 /nfs/dbraw/zinc/30/94/14/208309414.db2.gz WIWSGOXPNOYYED-UHFFFAOYSA-N 1 2 376.420 2.184 50 0 GEAALO CCNC(=O)[C@@H]1C[C@H](NC(=O)c2ccc(F)cc2)C[N@@H+]1Cc1ccsc1 ZINC000096165010 208281016 /nfs/dbraw/zinc/28/10/16/208281016.db2.gz NBGWAYFAPQHYNA-IRXDYDNUSA-N 1 2 375.469 2.396 50 0 GEAALO CCNC(=O)[C@@H]1C[C@H](NC(=O)c2ccc(F)cc2)C[N@H+]1Cc1ccsc1 ZINC000096165010 208281022 /nfs/dbraw/zinc/28/10/22/208281022.db2.gz NBGWAYFAPQHYNA-IRXDYDNUSA-N 1 2 375.469 2.396 50 0 GEAALO COCC[N@H+](CC(=O)NCCc1nc2ccccc2s1)Cc1cccnc1 ZINC000097105429 208335250 /nfs/dbraw/zinc/33/52/50/208335250.db2.gz KNKIKQRRJLZUQK-UHFFFAOYSA-N 1 2 384.505 2.499 50 0 GEAALO COCC[N@@H+](CC(=O)NCCc1nc2ccccc2s1)Cc1cccnc1 ZINC000097105429 208335255 /nfs/dbraw/zinc/33/52/55/208335255.db2.gz KNKIKQRRJLZUQK-UHFFFAOYSA-N 1 2 384.505 2.499 50 0 GEAALO O=C(Nc1cc(C(F)(F)F)ccc1F)N1CCNC(=O)[C@@H]1Cc1c[nH+]c[nH]1 ZINC000097117224 208338693 /nfs/dbraw/zinc/33/86/93/208338693.db2.gz HXUCLOYZEKZZCX-ZDUSSCGKSA-N 1 2 385.321 2.143 50 0 GEAALO O=C(Nc1cc(C(F)(F)F)ccc1F)N1CCNC(=O)[C@@H]1Cc1c[nH]c[nH+]1 ZINC000097117224 208338697 /nfs/dbraw/zinc/33/86/97/208338697.db2.gz HXUCLOYZEKZZCX-ZDUSSCGKSA-N 1 2 385.321 2.143 50 0 GEAALO CC(C)(C)NS(=O)(=O)c1ccccc1-c1cc(N2CCCC2)nc(N)[nH+]1 ZINC000097288896 208342445 /nfs/dbraw/zinc/34/24/45/208342445.db2.gz CJYXTKBISBCXLU-UHFFFAOYSA-N 1 2 375.498 2.403 50 0 GEAALO O=C(CN1CC[NH+](C/C=C\c2ccccc2)CC1)NC(=O)NCc1ccccc1 ZINC000096630321 208319853 /nfs/dbraw/zinc/31/98/53/208319853.db2.gz RNOGVMPBBWTGEA-GHXNOFRVSA-N 1 2 392.503 2.343 50 0 GEAALO COc1cc(-n2cnnn2)ccc1NC(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000097716918 208360652 /nfs/dbraw/zinc/36/06/52/208360652.db2.gz AWVFTNLEJGITEJ-MRXNPFEDSA-N 1 2 384.444 2.104 50 0 GEAALO COc1ccccc1CNc1c(=O)c(=O)c1N1CC[NH+](Cc2ccccc2)CC1 ZINC000101691422 208395794 /nfs/dbraw/zinc/39/57/94/208395794.db2.gz LJKLKDZVJPYOHG-UHFFFAOYSA-N 1 2 391.471 2.226 50 0 GEAALO Cc1ccc(Cl)cc1NC(=O)[C@H](C)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000022933614 208857613 /nfs/dbraw/zinc/85/76/13/208857613.db2.gz PCSFOEQINKNDJL-INIZCTEOSA-N 1 2 392.931 2.215 50 0 GEAALO Cc1cc(=O)oc2cc(NC(=O)N3CCN(Cc4[nH+]ccn4C)CC3)ccc12 ZINC000299801399 209093379 /nfs/dbraw/zinc/09/33/79/209093379.db2.gz YALFPOHHCDVFNX-UHFFFAOYSA-N 1 2 381.436 2.185 50 0 GEAALO O=C(NC[C@H](c1ccccc1)[NH+]1CCOCC1)c1cnn(CC(F)(F)F)c1 ZINC000241161365 209019862 /nfs/dbraw/zinc/01/98/62/209019862.db2.gz KAFZVXNDJWNLPE-MRXNPFEDSA-N 1 2 382.386 2.249 50 0 GEAALO C[N@H+](CC(=O)N[C@H](c1ccc2c(c1)CCO2)[C@H]1C[C@@H](O)C1)Cc1ccncc1 ZINC000243901207 209022825 /nfs/dbraw/zinc/02/28/25/209022825.db2.gz AZQJRLAWZJNKPR-XQBPLPMBSA-N 1 2 381.476 2.077 50 0 GEAALO C[N@@H+](CC(=O)N[C@H](c1ccc2c(c1)CCO2)[C@H]1C[C@@H](O)C1)Cc1ccncc1 ZINC000243901207 209022828 /nfs/dbraw/zinc/02/28/28/209022828.db2.gz AZQJRLAWZJNKPR-XQBPLPMBSA-N 1 2 381.476 2.077 50 0 GEAALO Cc1ccc2[nH+]c(CN3CCN(C(=O)[C@@H]4COc5ccccc5O4)CC3)cn2c1 ZINC000007985947 221019201 /nfs/dbraw/zinc/01/92/01/221019201.db2.gz NJDWDXIIAOVENK-FQEVSTJZSA-N 1 2 392.459 2.127 50 0 GEAALO COCCNC(=O)NC(=O)C[N@@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000016384406 221361558 /nfs/dbraw/zinc/36/15/58/221361558.db2.gz SETNPHOGWPFMBO-MRXNPFEDSA-N 1 2 379.507 2.229 50 0 GEAALO COCCNC(=O)NC(=O)C[N@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000016384406 221361561 /nfs/dbraw/zinc/36/15/61/221361561.db2.gz SETNPHOGWPFMBO-MRXNPFEDSA-N 1 2 379.507 2.229 50 0 GEAALO COc1ccc(C(=O)N2CCC[C@H](c3nnc(C[NH+]4CCCCC4)n3C)C2)o1 ZINC000426479610 533299928 /nfs/dbraw/zinc/29/99/28/533299928.db2.gz BKDGRKILKKHSTO-HNNXBMFYSA-N 1 2 387.484 2.422 50 0 GEAALO O=C(C[NH+]1CCN(C(=O)Nc2ccccc2N2CCCCC2)CC1)N1CCCC1 ZINC000057897336 136154089 /nfs/dbraw/zinc/15/40/89/136154089.db2.gz UITKSIJIYLUGHX-UHFFFAOYSA-N 1 2 399.539 2.449 50 0 GEAALO O=C(NC1CCCC1)c1nc(C(=O)N2CCN(c3cccc[nH+]3)CC2)cs1 ZINC000065199841 136159987 /nfs/dbraw/zinc/15/99/87/136159987.db2.gz WHHIALREDXDARR-UHFFFAOYSA-N 1 2 385.493 2.173 50 0 GEAALO Cc1cc(Cl)ccc1NC(=O)Cn1ncc2c1nc[nH+]c2N1CCOCC1 ZINC000065295082 136162760 /nfs/dbraw/zinc/16/27/60/136162760.db2.gz FXKGQLNJYXHDHC-UHFFFAOYSA-N 1 2 386.843 2.263 50 0 GEAALO Cc1nc(-n2cccn2)cc(N2CCN(C(=O)CCc3ccccc3)CC2)[nH+]1 ZINC000065365089 136163743 /nfs/dbraw/zinc/16/37/43/136163743.db2.gz OEKKCWWJXUTKJB-UHFFFAOYSA-N 1 2 376.464 2.252 50 0 GEAALO O[C@H]1CN(c2nc3ccccc3s2)C[C@@H]1[NH+]1CCN(c2ccccn2)CC1 ZINC000072151068 136167011 /nfs/dbraw/zinc/16/70/11/136167011.db2.gz URHACAHOCQXMDO-IRXDYDNUSA-N 1 2 381.505 2.063 50 0 GEAALO O=C(NCCNc1cc(N2CCOCC2)nc[nH+]1)c1ccc(Cl)cc1Cl ZINC000072437517 136170555 /nfs/dbraw/zinc/17/05/55/136170555.db2.gz KTTBMAGFLZBFBZ-UHFFFAOYSA-N 1 2 396.278 2.462 50 0 GEAALO O=C(NCCNc1cc(N2CCOCC2)[nH+]cn1)c1ccc(Cl)cc1Cl ZINC000072437517 136170556 /nfs/dbraw/zinc/17/05/56/136170556.db2.gz KTTBMAGFLZBFBZ-UHFFFAOYSA-N 1 2 396.278 2.462 50 0 GEAALO O=C(NCc1ccccc1C[NH+]1CCOCC1)c1ccc(N2CCOCC2)cc1 ZINC000072437912 136170655 /nfs/dbraw/zinc/17/06/55/136170655.db2.gz VWIVAXGFENJHKS-UHFFFAOYSA-N 1 2 395.503 2.285 50 0 GEAALO Cc1cc(C[N@@H+](C)Cc2cc3cccc(C)c3nc2N2CCNC(=O)C2)on1 ZINC000072447222 136170980 /nfs/dbraw/zinc/17/09/80/136170980.db2.gz UHIGJVGIUALYHK-UHFFFAOYSA-N 1 2 379.464 2.408 50 0 GEAALO Cc1cc(C[N@H+](C)Cc2cc3cccc(C)c3nc2N2CCNC(=O)C2)on1 ZINC000072447222 136170981 /nfs/dbraw/zinc/17/09/81/136170981.db2.gz UHIGJVGIUALYHK-UHFFFAOYSA-N 1 2 379.464 2.408 50 0 GEAALO Cc1c[nH+]c(N2CCC3(CCC(=O)N(C[C@@H]4CCCO4)C3)CC2)nc1N(C)C ZINC000095354546 136177944 /nfs/dbraw/zinc/17/79/44/136177944.db2.gz PAZQKXJUMFRBCP-KRWDZBQOSA-N 1 2 387.528 2.239 50 0 GEAALO Cc1cccc(N2CC[NH+](CCN(CC(=O)N(C)C3CC3)CC3CC3)CC2)c1 ZINC000095456046 136179274 /nfs/dbraw/zinc/17/92/74/136179274.db2.gz LGMSOTDBQJEYDK-UHFFFAOYSA-N 1 2 384.568 2.450 50 0 GEAALO CCn1cc[nH+]c1[C@H]1CCCN(C(=O)CN2C(=O)COc3ccc(C)cc32)C1 ZINC000095521362 136181148 /nfs/dbraw/zinc/18/11/48/136181148.db2.gz WGRZQSSAIRJYKV-INIZCTEOSA-N 1 2 382.464 2.343 50 0 GEAALO COc1ccccc1N1CC[NH+](C[C@@H](O)COc2ccccc2C(C)=O)CC1 ZINC000022608518 136204261 /nfs/dbraw/zinc/20/42/61/136204261.db2.gz LUKBTGVFHUVGRT-GOSISDBHSA-N 1 2 384.476 2.460 50 0 GEAALO CCOc1ccc(C(=O)N2CCCO[C@H](C[NH+]3CCOCC3)C2)cc1Cl ZINC000299769144 209085115 /nfs/dbraw/zinc/08/51/15/209085115.db2.gz JWRTVZOUKYCTAP-MRXNPFEDSA-N 1 2 382.888 2.302 50 0 GEAALO NC(=O)C[C@H]1CCC[N@H+](CC(=O)Nc2cc3c(cc2Cl)OCCCO3)C1 ZINC000072309469 222223207 /nfs/dbraw/zinc/22/32/07/222223207.db2.gz CFABMAOXBLMIOE-GFCCVEGCSA-N 1 2 381.860 2.027 50 0 GEAALO NC(=O)C[C@H]1CCC[N@@H+](CC(=O)Nc2cc3c(cc2Cl)OCCCO3)C1 ZINC000072309469 222223210 /nfs/dbraw/zinc/22/32/10/222223210.db2.gz CFABMAOXBLMIOE-GFCCVEGCSA-N 1 2 381.860 2.027 50 0 GEAALO Cc1noc(C)c1C[N@@H+]1CCc2c(C(=O)N3CCC[C@@H]3C(N)=O)csc2C1 ZINC000426424396 534361807 /nfs/dbraw/zinc/36/18/07/534361807.db2.gz SISBYGABJWGXGT-MRXNPFEDSA-N 1 2 388.493 2.001 50 0 GEAALO Cc1noc(C)c1C[N@H+]1CCc2c(C(=O)N3CCC[C@@H]3C(N)=O)csc2C1 ZINC000426424396 534361812 /nfs/dbraw/zinc/36/18/12/534361812.db2.gz SISBYGABJWGXGT-MRXNPFEDSA-N 1 2 388.493 2.001 50 0 GEAALO Cc1noc(C)c1C[N@H+]1CCc2c(C(=O)NCC(=O)NC(C)C)csc2C1 ZINC000426396675 534361545 /nfs/dbraw/zinc/36/15/45/534361545.db2.gz VDNPDPSSDPUXTA-UHFFFAOYSA-N 1 2 390.509 2.166 50 0 GEAALO Cc1noc(C)c1C[N@@H+]1CCc2c(C(=O)NCC(=O)NC(C)C)csc2C1 ZINC000426396675 534361555 /nfs/dbraw/zinc/36/15/55/534361555.db2.gz VDNPDPSSDPUXTA-UHFFFAOYSA-N 1 2 390.509 2.166 50 0 GEAALO Cc1ccc2[nH]c([C@@H](C)NC(=O)N3CCC(O)(Cn4cc[nH+]c4)CC3)nc2c1 ZINC000426528107 534508418 /nfs/dbraw/zinc/50/84/18/534508418.db2.gz VMVLKMGBVKVVHO-OAHLLOKOSA-N 1 2 382.468 2.366 50 0 GEAALO Cc1ccc2nc([C@@H](C)NC(=O)N3CCC(O)(Cn4cc[nH+]c4)CC3)[nH]c2c1 ZINC000426528107 534508423 /nfs/dbraw/zinc/50/84/23/534508423.db2.gz VMVLKMGBVKVVHO-OAHLLOKOSA-N 1 2 382.468 2.366 50 0 GEAALO O=C(c1ccc(F)cc1Cl)N1CCN(c2ccc(-n3cc[nH+]c3)nn2)CC1 ZINC000070997612 526692604 /nfs/dbraw/zinc/69/26/04/526692604.db2.gz YFNOGVVDCCIFQY-UHFFFAOYSA-N 1 2 386.818 2.417 50 0 GEAALO CCNC(=O)[C@H](C)NC(=O)c1csc2c1CC[N@H+](Cc1c(C)noc1C)C2 ZINC000426425142 528221021 /nfs/dbraw/zinc/22/10/21/528221021.db2.gz FOJDFRLAVKGNFM-LBPRGKRZSA-N 1 2 390.509 2.166 50 0 GEAALO CCNC(=O)[C@H](C)NC(=O)c1csc2c1CC[N@@H+](Cc1c(C)noc1C)C2 ZINC000426425142 528221031 /nfs/dbraw/zinc/22/10/31/528221031.db2.gz FOJDFRLAVKGNFM-LBPRGKRZSA-N 1 2 390.509 2.166 50 0 GEAALO CC[C@@H](C(N)=O)N(C)C(=O)c1csc2c1CC[N@H+](Cc1c(C)noc1C)C2 ZINC000426487997 529298087 /nfs/dbraw/zinc/29/80/87/529298087.db2.gz MJVBIQYNQNJWAL-INIZCTEOSA-N 1 2 390.509 2.247 50 0 GEAALO CC[C@@H](C(N)=O)N(C)C(=O)c1csc2c1CC[N@@H+](Cc1c(C)noc1C)C2 ZINC000426487997 529298091 /nfs/dbraw/zinc/29/80/91/529298091.db2.gz MJVBIQYNQNJWAL-INIZCTEOSA-N 1 2 390.509 2.247 50 0 GEAALO CC(C)N1C(=O)CN(C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C1=O ZINC000058166275 535127214 /nfs/dbraw/zinc/12/72/14/535127214.db2.gz HAFORPPICCMWGB-UHFFFAOYSA-N 1 2 384.402 2.458 50 0 GEAALO COc1ccc(OC)c(CNC(=O)CCc2cc[nH+]c(N3CCOCC3)c2)c1 ZINC000065269762 536829879 /nfs/dbraw/zinc/82/98/79/536829879.db2.gz BLTZVJNECSBHLR-UHFFFAOYSA-N 1 2 385.464 2.184 50 0 GEAALO Cn1cc[nH+]c1[C@@H](NC(=O)CCn1ncc(=O)c2ccccc21)c1ccccc1 ZINC000048265300 570225680 /nfs/dbraw/zinc/22/56/80/570225680.db2.gz QMYDESJCEKCYID-NRFANRHFSA-N 1 2 387.443 2.426 50 0 GEAALO CC(C)COc1ccc(S(=O)(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000048286728 570227449 /nfs/dbraw/zinc/22/74/49/570227449.db2.gz GLEYALMIGPBWAE-CALCHBBNSA-N 1 2 384.542 2.499 50 0 GEAALO CC(C)COc1ccc(S(=O)(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000048286728 570227454 /nfs/dbraw/zinc/22/74/54/570227454.db2.gz GLEYALMIGPBWAE-CALCHBBNSA-N 1 2 384.542 2.499 50 0 GEAALO CC(C)COc1ccc(S(=O)(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000048286730 570227692 /nfs/dbraw/zinc/22/76/92/570227692.db2.gz GLEYALMIGPBWAE-IRXDYDNUSA-N 1 2 384.542 2.499 50 0 GEAALO Cc1nc2n(n1)C(=O)C([C@H](c1ccccc1C)[NH+]1CCC(C(N)=O)CC1)S2 ZINC000022627578 570229093 /nfs/dbraw/zinc/22/90/93/570229093.db2.gz XPWFQLFHFJKBSB-HNNXBMFYSA-N 1 2 385.493 2.400 50 0 GEAALO COC(=O)c1cccc(S(=O)(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000048332576 570237295 /nfs/dbraw/zinc/23/72/95/570237295.db2.gz SRVWUVLXRSLLLG-MRXNPFEDSA-N 1 2 378.450 2.182 50 0 GEAALO CC1=NN(c2ccc(C(=O)NC[C@]3([NH+]4CCOCC4)CCSC3)cc2)CC1 ZINC000048333661 570237535 /nfs/dbraw/zinc/23/75/35/570237535.db2.gz LZWAZXKUGSQBQM-HXUWFJFHSA-N 1 2 388.537 2.210 50 0 GEAALO Cc1cc(C)n(-c2cc[nH+]c(N3CCC(C(=O)NCc4ccncc4)CC3)n2)n1 ZINC000049411615 570266716 /nfs/dbraw/zinc/26/67/16/570266716.db2.gz OTVVQVPFBUYBJS-UHFFFAOYSA-N 1 2 391.479 2.207 50 0 GEAALO O=C(CNC(=O)N1CCN(c2cccc[nH+]2)CC1)Nc1nc2ccccc2s1 ZINC000049549165 570269480 /nfs/dbraw/zinc/26/94/80/570269480.db2.gz BOFOFEKNSDQYAA-UHFFFAOYSA-N 1 2 396.476 2.162 50 0 GEAALO COc1ccc(F)cc1CN1CC[NH+](Cc2cc(=O)n3cccc(C)c3n2)CC1 ZINC000022804758 570329213 /nfs/dbraw/zinc/32/92/13/570329213.db2.gz AGEQPGGPJSMUBL-UHFFFAOYSA-N 1 2 396.466 2.468 50 0 GEAALO COc1ccc(F)cc1C[NH+]1CCN(Cc2cc(=O)n3cccc(C)c3n2)CC1 ZINC000022804758 570329217 /nfs/dbraw/zinc/32/92/17/570329217.db2.gz AGEQPGGPJSMUBL-UHFFFAOYSA-N 1 2 396.466 2.468 50 0 GEAALO Cc1cccc2nc(CN3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)cc(=O)n12 ZINC000022804621 570329295 /nfs/dbraw/zinc/32/92/95/570329295.db2.gz LMGSUKHDUUFPDA-UHFFFAOYSA-N 1 2 392.459 2.049 50 0 GEAALO Cc1cccc2nc(C[NH+]3CCN(Cc4ccc5c(c4)OCO5)CC3)cc(=O)n12 ZINC000022804621 570329297 /nfs/dbraw/zinc/32/92/97/570329297.db2.gz LMGSUKHDUUFPDA-UHFFFAOYSA-N 1 2 392.459 2.049 50 0 GEAALO Cc1cc(C)c(NC(=O)CN2CC[NH+](CC(=O)NC(C)(C)C)CC2)c(Cl)c1 ZINC000022805233 570329664 /nfs/dbraw/zinc/32/96/64/570329664.db2.gz UHSNFLPLYRAFRG-UHFFFAOYSA-N 1 2 394.947 2.428 50 0 GEAALO CC[NH+]1CCN(C(=O)[C@H](C)Sc2nnc(-c3ccc(OC)cc3)n2C)CC1 ZINC000023761532 570332955 /nfs/dbraw/zinc/33/29/55/570332955.db2.gz PWHJCYSOGIDOLH-AWEZNQCLSA-N 1 2 389.525 2.135 50 0 GEAALO Cc1ccc(NC(=O)Cn2nc3c(-n4cc[nH+]c4)nc4ccccc4n3c2=O)cc1 ZINC000035425890 570355652 /nfs/dbraw/zinc/35/56/52/570355652.db2.gz YHMVOHGGDMFIRD-UHFFFAOYSA-N 1 2 399.414 2.177 50 0 GEAALO O=C(NCCCc1ccccc1)N1CCCSC[C@@H]1C[NH+]1CCOCC1 ZINC000090609205 570385111 /nfs/dbraw/zinc/38/51/11/570385111.db2.gz NCALSIUIYFIWEV-IBGZPJMESA-N 1 2 377.554 2.469 50 0 GEAALO C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000032794828 570395134 /nfs/dbraw/zinc/39/51/34/570395134.db2.gz JJNVICSQNFQQAM-INIZCTEOSA-N 1 2 386.500 2.081 50 0 GEAALO O=C(NCc1ccccc1C[NH+]1CCOCC1)c1ccc(-n2ccnc2)nc1 ZINC000025248704 570409237 /nfs/dbraw/zinc/40/92/37/570409237.db2.gz TXJAKFWQPUDPRK-UHFFFAOYSA-N 1 2 377.448 2.030 50 0 GEAALO C[C@@H](Oc1ncccc1C(=O)NCC[N@@H+]1CCOC(C)(C)C1)C(F)(F)F ZINC000252493964 570476350 /nfs/dbraw/zinc/47/63/50/570476350.db2.gz NHNICGFVNRZQCF-GFCCVEGCSA-N 1 2 375.391 2.252 50 0 GEAALO C[C@@H](Oc1ncccc1C(=O)NCC[N@H+]1CCOC(C)(C)C1)C(F)(F)F ZINC000252493964 570476352 /nfs/dbraw/zinc/47/63/52/570476352.db2.gz NHNICGFVNRZQCF-GFCCVEGCSA-N 1 2 375.391 2.252 50 0 GEAALO Cc1cccn2cc(CSc3nnc(C[C@H]4CCS(=O)(=O)C4)o3)[nH+]c12 ZINC000039996309 570542257 /nfs/dbraw/zinc/54/22/57/570542257.db2.gz HZMZQBDMPKEDTI-GFCCVEGCSA-N 1 2 378.479 2.295 50 0 GEAALO CCC[NH+]1CCN(S(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(=O)C2CC2)CC1 ZINC000036147244 570549464 /nfs/dbraw/zinc/54/94/64/570549464.db2.gz SOBZPMMUWPIZLQ-OAHLLOKOSA-N 1 2 391.537 2.091 50 0 GEAALO COc1ccc2c(c1)N1CCN(c3cccc[nH+]3)C[C@@H]1[C@@H](C(=O)NC(C)C)C2 ZINC000035911095 570558748 /nfs/dbraw/zinc/55/87/48/570558748.db2.gz VXBSZBILJCVHRE-AZUAARDMSA-N 1 2 380.492 2.482 50 0 GEAALO Cc1ccc2c(c1)N(CCCC(=O)N1CCN(c3cccc[nH+]3)CC1)C(=O)CO2 ZINC000006751221 570569537 /nfs/dbraw/zinc/56/95/37/570569537.db2.gz KWMPGLITXFRQKO-UHFFFAOYSA-N 1 2 394.475 2.244 50 0 GEAALO CN(CCn1cc[nH+]c1)C(=O)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1 ZINC000011819545 570585589 /nfs/dbraw/zinc/58/55/89/570585589.db2.gz DEPYIUJLBSACCG-UHFFFAOYSA-N 1 2 396.491 2.435 50 0 GEAALO O=C(NCc1ccc(N2CCOCC2)[nH+]c1)c1ccc(NC(=O)C2CC2)cc1 ZINC000011114098 570645842 /nfs/dbraw/zinc/64/58/42/570645842.db2.gz WDRCBTQSTDPJIN-UHFFFAOYSA-N 1 2 380.448 2.197 50 0 GEAALO O=C(CSc1[nH+]cnc2c1cnn2-c1cccc(Cl)c1)N1CCOCC1 ZINC000004341693 570676425 /nfs/dbraw/zinc/67/64/25/570676425.db2.gz CFHPIDSDJFBMFA-UHFFFAOYSA-N 1 2 389.868 2.420 50 0 GEAALO Cc1ccccc1[C@@H]1CC(=O)c2c(C)nc(N3CC[NH+](CCO)CC3)nc2C1 ZINC000012653536 570695460 /nfs/dbraw/zinc/69/54/60/570695460.db2.gz HPPMHKQQIGBQEL-KRWDZBQOSA-N 1 2 380.492 2.120 50 0 GEAALO Cc1cc(C)n(-c2ccc(C(=O)NCc3cc[nH+]c(N4CCOCC4)c3)cn2)n1 ZINC000033046899 570696020 /nfs/dbraw/zinc/69/60/20/570696020.db2.gz RVHRLFZACNQIPA-UHFFFAOYSA-N 1 2 392.463 2.046 50 0 GEAALO C[C@@H]1CC(C)(C)NC(=S)N1CCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000003654912 570699683 /nfs/dbraw/zinc/69/96/83/570699683.db2.gz UDAOECNBZQKYNP-MRXNPFEDSA-N 1 2 389.569 2.258 50 0 GEAALO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](C)Oc2ccc(Cl)cc2C)CC1 ZINC000060093204 570740383 /nfs/dbraw/zinc/74/03/83/570740383.db2.gz QHFDIZMVVKSRFI-OAHLLOKOSA-N 1 2 381.904 2.086 50 0 GEAALO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](C)Oc2ccc(Cl)cc2C)CC1 ZINC000060093204 570740384 /nfs/dbraw/zinc/74/03/84/570740384.db2.gz QHFDIZMVVKSRFI-OAHLLOKOSA-N 1 2 381.904 2.086 50 0 GEAALO Cc1nc(-n2cccn2)cc(N2CCN(C(=O)Nc3ccccc3F)CC2)[nH+]1 ZINC000065362745 570760018 /nfs/dbraw/zinc/76/00/18/570760018.db2.gz FJYAHIVHVQCHFR-UHFFFAOYSA-N 1 2 381.415 2.464 50 0 GEAALO COc1cc(C)c(C[NH+]2CCN(c3ncc(F)cn3)CC2)c(OC)c1OC ZINC000065394340 570765168 /nfs/dbraw/zinc/76/51/68/570765168.db2.gz JHQMHWMVODOFJZ-UHFFFAOYSA-N 1 2 376.432 2.272 50 0 GEAALO C[C@@]1(n2cc(C3=CC[N@H+](CCc4ccccn4)CC3)cn2)CCS(=O)(=O)C1 ZINC000065398172 570766032 /nfs/dbraw/zinc/76/60/32/570766032.db2.gz QSZHLQKXCLCACD-HXUWFJFHSA-N 1 2 386.521 2.144 50 0 GEAALO C[C@@]1(n2cc(C3=CC[N@@H+](CCc4ccccn4)CC3)cn2)CCS(=O)(=O)C1 ZINC000065398172 570766038 /nfs/dbraw/zinc/76/60/38/570766038.db2.gz QSZHLQKXCLCACD-HXUWFJFHSA-N 1 2 386.521 2.144 50 0 GEAALO CC[C@@]1(C(=O)OC)[NH2+][C@H](c2ccc(O)cc2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000065404951 570766501 /nfs/dbraw/zinc/76/65/01/570766501.db2.gz YBCVVCHXEYEQPZ-OZQHCQBDSA-N 1 2 394.427 2.164 50 0 GEAALO Cc1nnc(C[N@@H+](C)C[C@]2(O)CCCN(Cc3ccc(C(C)C)cc3)C2=O)o1 ZINC000067771713 570790473 /nfs/dbraw/zinc/79/04/73/570790473.db2.gz ZGTGKYJOAURRKI-OAQYLSRUSA-N 1 2 386.496 2.487 50 0 GEAALO Cc1nnc(C[N@H+](C)C[C@]2(O)CCCN(Cc3ccc(C(C)C)cc3)C2=O)o1 ZINC000067771713 570790476 /nfs/dbraw/zinc/79/04/76/570790476.db2.gz ZGTGKYJOAURRKI-OAQYLSRUSA-N 1 2 386.496 2.487 50 0 GEAALO CCn1ncnc1C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)COc1ccccc1)C2 ZINC000067817360 570792444 /nfs/dbraw/zinc/79/24/44/570792444.db2.gz UJMJJFAZEIISDS-NRFANRHFSA-N 1 2 383.496 2.192 50 0 GEAALO CCn1ncnc1C[N@H+]1CC[C@]2(C1)CCCN(C(=O)COc1ccccc1)C2 ZINC000067817360 570792447 /nfs/dbraw/zinc/79/24/47/570792447.db2.gz UJMJJFAZEIISDS-NRFANRHFSA-N 1 2 383.496 2.192 50 0 GEAALO O=C(c1ccccc1F)N1CC[NH+](C[C@@H](O)COCc2ccccc2F)CC1 ZINC000032772183 570805862 /nfs/dbraw/zinc/80/58/62/570805862.db2.gz YCHRMQZLRIEFSQ-QGZVFWFLSA-N 1 2 390.430 2.300 50 0 GEAALO C[C@@H]1CN(S(=O)(=O)N[C@H](c2[nH+]ccn2C)c2ccc(Cl)cc2)C[C@@H](C)O1 ZINC000012507207 570822735 /nfs/dbraw/zinc/82/27/35/570822735.db2.gz KKKPDZSCNVDXCQ-IOASZLSFSA-N 1 2 398.916 2.107 50 0 GEAALO Cc1cccc(N2CC[NH+](CCNS(=O)(=O)N(C)C3CCCCC3)CC2)c1 ZINC000032825734 570839710 /nfs/dbraw/zinc/83/97/10/570839710.db2.gz PGOHIOWKDKQIJL-UHFFFAOYSA-N 1 2 394.585 2.216 50 0 GEAALO CCOc1ccccc1NC(=O)C(=O)NCC1CCN(c2cccc[nH+]2)CC1 ZINC000043941387 570842046 /nfs/dbraw/zinc/84/20/46/570842046.db2.gz UHKKPNJLMZBNFZ-UHFFFAOYSA-N 1 2 382.464 2.452 50 0 GEAALO C[C@]1(C2CC2)NC(=O)N(CC(=O)Nc2ccc3c(c2)[nH+]c2n3CCCCC2)C1=O ZINC000012547724 570849297 /nfs/dbraw/zinc/84/92/97/570849297.db2.gz IDLAVQCXUGJKTL-OAQYLSRUSA-N 1 2 395.463 2.422 50 0 GEAALO Cc1nonc1C[N@@H+](C)C[C@@]1(O)CCCN(Cc2ccc(C(C)C)cc2)C1=O ZINC000071765362 570851574 /nfs/dbraw/zinc/85/15/74/570851574.db2.gz HNTBPNBIDJRKKX-NRFANRHFSA-N 1 2 386.496 2.487 50 0 GEAALO Cc1nonc1C[N@H+](C)C[C@@]1(O)CCCN(Cc2ccc(C(C)C)cc2)C1=O ZINC000071765362 570851576 /nfs/dbraw/zinc/85/15/76/570851576.db2.gz HNTBPNBIDJRKKX-NRFANRHFSA-N 1 2 386.496 2.487 50 0 GEAALO COc1ccc([C@@H](CNC(=O)c2ccc(S(C)(=O)=O)cc2)[NH+](C)C)cc1 ZINC000003414521 570865802 /nfs/dbraw/zinc/86/58/02/570865802.db2.gz QOOADMZILVVSLS-GOSISDBHSA-N 1 2 376.478 2.131 50 0 GEAALO CC(C)N(Cc1cccnc1)C(=O)C[C@H]1C(=O)NCC[N@H+]1Cc1ccccc1 ZINC000072129350 570868129 /nfs/dbraw/zinc/86/81/29/570868129.db2.gz HKPDTJRNLUFBJH-FQEVSTJZSA-N 1 2 380.492 2.209 50 0 GEAALO CC(C)N(Cc1cccnc1)C(=O)C[C@H]1C(=O)NCC[N@@H+]1Cc1ccccc1 ZINC000072129350 570868130 /nfs/dbraw/zinc/86/81/30/570868130.db2.gz HKPDTJRNLUFBJH-FQEVSTJZSA-N 1 2 380.492 2.209 50 0 GEAALO CN1c2ccccc2C2(CCN(C(=O)C[N@H+](C)Cc3cccnc3)CC2)C1=O ZINC000072131829 570868646 /nfs/dbraw/zinc/86/86/46/570868646.db2.gz ZBWGWDHRSMQFAX-UHFFFAOYSA-N 1 2 378.476 2.050 50 0 GEAALO CN1c2ccccc2C2(CCN(C(=O)C[N@@H+](C)Cc3cccnc3)CC2)C1=O ZINC000072131829 570868649 /nfs/dbraw/zinc/86/86/49/570868649.db2.gz ZBWGWDHRSMQFAX-UHFFFAOYSA-N 1 2 378.476 2.050 50 0 GEAALO O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000103032539 570873524 /nfs/dbraw/zinc/87/35/24/570873524.db2.gz IOFMOBSEHLQXCC-HUUCEWRRSA-N 1 2 390.509 2.243 50 0 GEAALO Cn1cc[nH+]c1[C@H](NC(=O)CNC(=O)c1ccc(F)cc1)c1ccc(F)cc1 ZINC000012578162 570876263 /nfs/dbraw/zinc/87/62/63/570876263.db2.gz MVFXTZPOLQVHQO-GOSISDBHSA-N 1 2 384.386 2.334 50 0 GEAALO CCCC[N@@H+]1CCOC[C@H]1C(=O)NCC(C)(C)c1ccc2c(c1)OCCO2 ZINC000184339414 570931043 /nfs/dbraw/zinc/93/10/43/570931043.db2.gz OPOPIISGECZYCY-KRWDZBQOSA-N 1 2 376.497 2.353 50 0 GEAALO CCCC[N@H+]1CCOC[C@H]1C(=O)NCC(C)(C)c1ccc2c(c1)OCCO2 ZINC000184339414 570931046 /nfs/dbraw/zinc/93/10/46/570931046.db2.gz OPOPIISGECZYCY-KRWDZBQOSA-N 1 2 376.497 2.353 50 0 GEAALO COc1ccc(C(=O)Nc2ccccc2C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000020256689 570945574 /nfs/dbraw/zinc/94/55/74/570945574.db2.gz PNZPFZJHVCAYFI-UHFFFAOYSA-N 1 2 383.448 2.010 50 0 GEAALO O=c1cc(C[NH+]2CCN(c3ncnc4sccc43)CC2)nc2sccn21 ZINC000012676686 570948316 /nfs/dbraw/zinc/94/83/16/570948316.db2.gz IWYOEYQOHJHXHD-UHFFFAOYSA-N 1 2 384.490 2.083 50 0 GEAALO O=C(NCc1ccccc1Cn1cc[nH+]c1)c1cc(Cl)ccc1-n1cnnn1 ZINC000032938856 570953927 /nfs/dbraw/zinc/95/39/27/570953927.db2.gz VNJKJWIYZJSCLQ-UHFFFAOYSA-N 1 2 393.838 2.491 50 0 GEAALO O=C(CN1C(=O)c2ccccc2C1=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000033340972 570991584 /nfs/dbraw/zinc/99/15/84/570991584.db2.gz ATDADNWATXMHDF-TWGQIWQCSA-N 1 2 389.455 2.140 50 0 GEAALO COc1ccc(OC)c([C@H]2CCC[N@@H+]2CC(=O)NC(=O)NCC(F)(F)F)c1 ZINC000007718871 571020015 /nfs/dbraw/zinc/02/00/15/571020015.db2.gz PMRNKGZUOYNIGW-CYBMUJFWSA-N 1 2 389.374 2.229 50 0 GEAALO COc1ccc(OC)c([C@H]2CCC[N@H+]2CC(=O)NC(=O)NCC(F)(F)F)c1 ZINC000007718871 571020017 /nfs/dbraw/zinc/02/00/17/571020017.db2.gz PMRNKGZUOYNIGW-CYBMUJFWSA-N 1 2 389.374 2.229 50 0 GEAALO Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@@H](C)C[N@@H+]1CCc2ccccc2C1 ZINC000670441026 652748695 /nfs/dbraw/zinc/74/86/95/652748695.db2.gz ONMSQSCLOUQASK-LBPRGKRZSA-N 1 2 382.917 2.107 50 0 GEAALO Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@@H](C)C[N@H+]1CCc2ccccc2C1 ZINC000670441026 652748704 /nfs/dbraw/zinc/74/87/04/652748704.db2.gz ONMSQSCLOUQASK-LBPRGKRZSA-N 1 2 382.917 2.107 50 0 GEAALO CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(c2cc(N3CCC[C@H]3CO)nc[nH+]2)C1 ZINC000246205525 231041180 /nfs/dbraw/zinc/04/11/80/231041180.db2.gz VUXQMXOUQHYFDC-CVEARBPZSA-N 1 2 391.516 2.273 50 0 GEAALO CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(c2cc(N3CCC[C@H]3CO)[nH+]cn2)C1 ZINC000246205525 231041182 /nfs/dbraw/zinc/04/11/82/231041182.db2.gz VUXQMXOUQHYFDC-CVEARBPZSA-N 1 2 391.516 2.273 50 0 GEAALO Cc1cnc(C)c(N2CCN(C(=O)NCc3cn4c(cccc4C)[nH+]3)CC2)n1 ZINC000426442682 231222401 /nfs/dbraw/zinc/22/24/01/231222401.db2.gz PJQAGORYFHROTM-UHFFFAOYSA-N 1 2 379.468 2.081 50 0 GEAALO CCc1ccc(C[N@@H+]2CCc3c(C(=O)N4CCNC(=O)CC4)csc3C2)nc1 ZINC000426530375 529643103 /nfs/dbraw/zinc/64/31/03/529643103.db2.gz FOLGHQSDWYFWFR-UHFFFAOYSA-N 1 2 398.532 2.226 50 0 GEAALO CCc1ccc(C[N@H+]2CCc3c(C(=O)N4CCNC(=O)CC4)csc3C2)nc1 ZINC000426530375 529643106 /nfs/dbraw/zinc/64/31/06/529643106.db2.gz FOLGHQSDWYFWFR-UHFFFAOYSA-N 1 2 398.532 2.226 50 0 GEAALO Cc1csc(SCC(=O)N2CC[NH+](Cc3ccccc3CO)CC2)n1 ZINC000055132186 531784141 /nfs/dbraw/zinc/78/41/41/531784141.db2.gz SUGNUEHXELSHAZ-UHFFFAOYSA-N 1 2 377.535 2.380 50 0 GEAALO O=C(N[C@H]1CS(=O)(=O)C[C@@H]1[NH+]1CCCCC1)c1cccc(Cl)c1Cl ZINC000060364018 531840346 /nfs/dbraw/zinc/84/03/46/531840346.db2.gz NQJHLSIYNHKHRP-KBPBESRZSA-N 1 2 391.320 2.375 50 0 GEAALO COc1cccc(N2C(=O)C[C@@H]([N@@H+]3CCc4cc(OC)c(OC)cc4C3)C2=O)c1 ZINC000100793318 206303913 /nfs/dbraw/zinc/30/39/13/206303913.db2.gz FMTHVZIRZAICHA-GOSISDBHSA-N 1 2 396.443 2.403 50 0 GEAALO COc1cccc(N2C(=O)C[C@@H]([N@H+]3CCc4cc(OC)c(OC)cc4C3)C2=O)c1 ZINC000100793318 206303918 /nfs/dbraw/zinc/30/39/18/206303918.db2.gz FMTHVZIRZAICHA-GOSISDBHSA-N 1 2 396.443 2.403 50 0 GEAALO CC[N@H+](CCCNC(=O)CCc1c(C)nc2nc(N)nn2c1C)c1ccccc1 ZINC000009154438 206306742 /nfs/dbraw/zinc/30/67/42/206306742.db2.gz BLDHZLPQTFEOKR-UHFFFAOYSA-N 1 2 395.511 2.289 50 0 GEAALO CC[N@@H+](CCCNC(=O)CCc1c(C)nc2nc(N)nn2c1C)c1ccccc1 ZINC000009154438 206306746 /nfs/dbraw/zinc/30/67/46/206306746.db2.gz BLDHZLPQTFEOKR-UHFFFAOYSA-N 1 2 395.511 2.289 50 0 GEAALO O=C(NCCCn1cc[nH+]c1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000006167918 206642547 /nfs/dbraw/zinc/64/25/47/206642547.db2.gz FYGXESLPUZAJRC-UHFFFAOYSA-N 1 2 390.509 2.268 50 0 GEAALO CCS(=O)(=O)N1CCC(C(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000012582447 206915279 /nfs/dbraw/zinc/91/52/79/206915279.db2.gz JRRNCHLOYXEFRY-HNNXBMFYSA-N 1 2 390.509 2.111 50 0 GEAALO COC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=O)C[NH+]1CCC(C)CC1 ZINC000014193604 207014808 /nfs/dbraw/zinc/01/48/08/207014808.db2.gz LDFGXTRIKURTEF-UHFFFAOYSA-N 1 2 381.498 2.215 50 0 GEAALO Cc1ccccc1C[N@@H+]1CCNC(=O)[C@H]1CC(=O)NCCc1ccccc1F ZINC000015064152 207042466 /nfs/dbraw/zinc/04/24/66/207042466.db2.gz FPTCJRCGXHODCJ-HXUWFJFHSA-N 1 2 383.467 2.184 50 0 GEAALO Cc1ccccc1C[N@H+]1CCNC(=O)[C@H]1CC(=O)NCCc1ccccc1F ZINC000015064152 207042470 /nfs/dbraw/zinc/04/24/70/207042470.db2.gz FPTCJRCGXHODCJ-HXUWFJFHSA-N 1 2 383.467 2.184 50 0 GEAALO CCOc1ccc(N2C(=O)C[C@@H]([NH+]3CCN(c4ccc(O)cc4)CC3)C2=O)cc1 ZINC000018250548 207097417 /nfs/dbraw/zinc/09/74/17/207097417.db2.gz BZUKUAAKEUSJEF-HXUWFJFHSA-N 1 2 395.459 2.245 50 0 GEAALO C[C@H](C[NH+]1CCN(C)CC1)OC(=O)c1ccccc1I ZINC000019360937 207118688 /nfs/dbraw/zinc/11/86/88/207118688.db2.gz HGWKVXYMBKEBHV-GFCCVEGCSA-N 1 2 388.249 2.084 50 0 GEAALO C[C@@H](C[NH+]1CCN(C)CC1)OC(=O)c1ccccc1I ZINC000019367908 207118707 /nfs/dbraw/zinc/11/87/07/207118707.db2.gz HGWKVXYMBKEBHV-LBPRGKRZSA-N 1 2 388.249 2.084 50 0 GEAALO C[C@@H](C(=O)Nc1ccc(F)cc1Cl)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000019670458 207148807 /nfs/dbraw/zinc/14/88/07/207148807.db2.gz UDBDBRJNRTVQPX-AWEZNQCLSA-N 1 2 396.894 2.046 50 0 GEAALO COc1ccc(-c2cnnc(N3CC[NH+](Cc4ccccn4)CC3)n2)c(OC)c1 ZINC000019744364 207157531 /nfs/dbraw/zinc/15/75/31/207157531.db2.gz CEJQGJFHFBJGCA-UHFFFAOYSA-N 1 2 392.463 2.273 50 0 GEAALO COc1cccc(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c1OC ZINC000019787369 207161100 /nfs/dbraw/zinc/16/11/00/207161100.db2.gz YNLLOLKAVIGPCL-UHFFFAOYSA-N 1 2 384.432 2.391 50 0 GEAALO CC(=O)Nc1ccccc1C(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000019866627 207168804 /nfs/dbraw/zinc/16/88/04/207168804.db2.gz QFCPPPAWFPSYKN-UHFFFAOYSA-N 1 2 381.432 2.332 50 0 GEAALO C[NH+]1CCN(C(=S)SCc2nc(N)nc(Nc3ccc(F)cc3)n2)CC1 ZINC000020058051 207175485 /nfs/dbraw/zinc/17/54/85/207175485.db2.gz YBPFGQOUIFXUKD-UHFFFAOYSA-N 1 2 393.517 2.102 50 0 GEAALO c1ccc2c(c1)nc1n2CN(Cc2cccnc2)CN1CC[NH+]1CCOCC1 ZINC000020101382 207177570 /nfs/dbraw/zinc/17/75/70/207177570.db2.gz MRJLTKBENHDSPG-UHFFFAOYSA-N 1 2 378.480 2.001 50 0 GEAALO OCCOc1cccc(CN2CC[N@H+](Cc3ccccc3F)[C@@H](CCO)C2)c1 ZINC000020205000 207181777 /nfs/dbraw/zinc/18/17/77/207181777.db2.gz JDRSKSQFEOLJPL-FQEVSTJZSA-N 1 2 388.483 2.266 50 0 GEAALO OCCOc1cccc(CN2CC[N@@H+](Cc3ccccc3F)[C@@H](CCO)C2)c1 ZINC000020205000 207181781 /nfs/dbraw/zinc/18/17/81/207181781.db2.gz JDRSKSQFEOLJPL-FQEVSTJZSA-N 1 2 388.483 2.266 50 0 GEAALO O=C(c1cn(CC[NH+]2CCOCC2)nn1)N1CCC[C@H](c2ccccc2)CC1 ZINC000020211766 207183783 /nfs/dbraw/zinc/18/37/83/207183783.db2.gz RQHRVXYYMWGIOW-IBGZPJMESA-N 1 2 383.496 2.020 50 0 GEAALO Cc1nn(-c2ccccc2)c2nc(C)cc(C(=O)NCC[NH+]3CCOCC3)c12 ZINC000020283046 207185749 /nfs/dbraw/zinc/18/57/49/207185749.db2.gz ZDHZAXATLWVNFL-UHFFFAOYSA-N 1 2 379.464 2.099 50 0 GEAALO CC1(C(=O)N2CCC[C@@H](N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)C2)CC1 ZINC000020514038 207198752 /nfs/dbraw/zinc/19/87/52/207198752.db2.gz ZRTCGUBSLMECPH-GOSISDBHSA-N 1 2 385.508 2.324 50 0 GEAALO COc1ccc(Cc2nc3ccc(C(=O)NCC[NH+]4CCOCC4)cc3o2)cc1 ZINC000020453116 207194252 /nfs/dbraw/zinc/19/42/52/207194252.db2.gz BKOMVRUTDNHTGH-UHFFFAOYSA-N 1 2 395.459 2.489 50 0 GEAALO O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000020453436 207194849 /nfs/dbraw/zinc/19/48/49/207194849.db2.gz WKGZIWZVLZWPSQ-AWEZNQCLSA-N 1 2 378.416 2.191 50 0 GEAALO C[C@@H]1C[N@H+](C2(C(=O)NCCOc3cccnc3)Cc3ccccc3C2)C[C@H](C)O1 ZINC000020538848 207201291 /nfs/dbraw/zinc/20/12/91/207201291.db2.gz ZNMOAOZGSMNOLM-HDICACEKSA-N 1 2 395.503 2.223 50 0 GEAALO C[C@@H]1C[N@@H+](C2(C(=O)NCCOc3cccnc3)Cc3ccccc3C2)C[C@H](C)O1 ZINC000020538848 207201296 /nfs/dbraw/zinc/20/12/96/207201296.db2.gz ZNMOAOZGSMNOLM-HDICACEKSA-N 1 2 395.503 2.223 50 0 GEAALO O=c1cc(Cc2cccc(F)c2)nc(-c2cccc(C[N@@H+]3CCNC(=O)C3)c2)[nH]1 ZINC000020906424 207220110 /nfs/dbraw/zinc/22/01/10/207220110.db2.gz QBGNOQAZGXTGMA-UHFFFAOYSA-N 1 2 392.434 2.099 50 0 GEAALO O=c1cc(Cc2cccc(F)c2)nc(-c2cccc(C[N@H+]3CCNC(=O)C3)c2)[nH]1 ZINC000020906424 207220114 /nfs/dbraw/zinc/22/01/14/207220114.db2.gz QBGNOQAZGXTGMA-UHFFFAOYSA-N 1 2 392.434 2.099 50 0 GEAALO COc1ccc(CN2C[NH+]=C3NCn4c5ccccc5nc4N3C2)cc1OC ZINC000020719404 207210833 /nfs/dbraw/zinc/21/08/33/207210833.db2.gz VKVYKUIUQSXNDK-UHFFFAOYSA-N 1 2 378.436 2.207 50 0 GEAALO COc1ccc(C[NH+]2CCN(C(=O)CCn3cccc3)CC2)c(OC)c1OC ZINC000021016588 207224099 /nfs/dbraw/zinc/22/40/99/207224099.db2.gz IJRYTZFCAKPFDM-UHFFFAOYSA-N 1 2 387.480 2.248 50 0 GEAALO Cc1cccc(CN2CC[N@H+](Cc3ccc4c(c3)OCCO4)C[C@@H]2CCO)n1 ZINC000022851606 207263773 /nfs/dbraw/zinc/26/37/73/207263773.db2.gz QHRAOFYPQZWHTF-FQEVSTJZSA-N 1 2 383.492 2.230 50 0 GEAALO Cc1cccc(CN2CC[N@@H+](Cc3ccc4c(c3)OCCO4)C[C@@H]2CCO)n1 ZINC000022851606 207263776 /nfs/dbraw/zinc/26/37/76/207263776.db2.gz QHRAOFYPQZWHTF-FQEVSTJZSA-N 1 2 383.492 2.230 50 0 GEAALO COc1ccc(C[NH+]2CCN(Cc3nc4ccccc4c(=O)[nH]3)CC2)cc1OC ZINC000022770930 207260802 /nfs/dbraw/zinc/26/08/02/207260802.db2.gz VFJDOLCEDWSTNE-UHFFFAOYSA-N 1 2 394.475 2.258 50 0 GEAALO CN(Cc1ccsc1)C(=O)CN1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000022806674 207262365 /nfs/dbraw/zinc/26/23/65/207262365.db2.gz UVEUOQDLVCAERZ-UHFFFAOYSA-N 1 2 385.533 2.459 50 0 GEAALO NC(=O)CSCCC(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000023083042 207268165 /nfs/dbraw/zinc/26/81/65/207268165.db2.gz LZGLVAMOZHMNOT-UHFFFAOYSA-N 1 2 390.534 2.249 50 0 GEAALO NC(=O)CSCCC(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000023083042 207268170 /nfs/dbraw/zinc/26/81/70/207268170.db2.gz LZGLVAMOZHMNOT-UHFFFAOYSA-N 1 2 390.534 2.249 50 0 GEAALO C[C@@H](C(=O)Nc1ccc(F)cc1)N1CC[NH+](CC(=O)N2CCCCCC2)CC1 ZINC000023301260 207271694 /nfs/dbraw/zinc/27/16/94/207271694.db2.gz DDFYKVBWBUABQE-KRWDZBQOSA-N 1 2 390.503 2.173 50 0 GEAALO O=C([C@@H](c1ccccc1)N1CC[NH+](Cc2ccsc2)CC1)N1CCOCC1 ZINC000023248790 207272228 /nfs/dbraw/zinc/27/22/28/207272228.db2.gz VYLXQWWYVGSJNU-HXUWFJFHSA-N 1 2 385.533 2.466 50 0 GEAALO O=C([C@@H](c1ccccc1)[NH+]1CCN(Cc2ccsc2)CC1)N1CCOCC1 ZINC000023248790 207272229 /nfs/dbraw/zinc/27/22/29/207272229.db2.gz VYLXQWWYVGSJNU-HXUWFJFHSA-N 1 2 385.533 2.466 50 0 GEAALO CCn1ncc(C[N@@H+]2CCN(Cc3ccc(OC)cc3F)[C@@H](CCO)C2)c1C ZINC000023374255 207276864 /nfs/dbraw/zinc/27/68/64/207276864.db2.gz FOIRQHXIJTZWLE-IBGZPJMESA-N 1 2 390.503 2.428 50 0 GEAALO CCn1ncc(C[N@H+]2CCN(Cc3ccc(OC)cc3F)[C@@H](CCO)C2)c1C ZINC000023374255 207276868 /nfs/dbraw/zinc/27/68/68/207276868.db2.gz FOIRQHXIJTZWLE-IBGZPJMESA-N 1 2 390.503 2.428 50 0 GEAALO CCn1ncc(CN2CC[N@H+](Cc3ccc(OC)cc3F)[C@@H](CCO)C2)c1C ZINC000023374255 207276872 /nfs/dbraw/zinc/27/68/72/207276872.db2.gz FOIRQHXIJTZWLE-IBGZPJMESA-N 1 2 390.503 2.428 50 0 GEAALO CCn1ncc(CN2CC[N@@H+](Cc3ccc(OC)cc3F)[C@@H](CCO)C2)c1C ZINC000023374255 207276875 /nfs/dbraw/zinc/27/68/75/207276875.db2.gz FOIRQHXIJTZWLE-IBGZPJMESA-N 1 2 390.503 2.428 50 0 GEAALO O=C(Cc1ccc(N2CCCC2=O)cc1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000023718528 207282060 /nfs/dbraw/zinc/28/20/60/207282060.db2.gz AAOLOQKPYYWEGE-UHFFFAOYSA-N 1 2 378.476 2.095 50 0 GEAALO Cc1sc2ncn(CC(=O)N3CC[NH+](Cc4ccco4)CC3)c(=O)c2c1C ZINC000023761174 207283311 /nfs/dbraw/zinc/28/33/11/207283311.db2.gz GCMFLZODPPRFNR-UHFFFAOYSA-N 1 2 386.477 2.012 50 0 GEAALO CC(C)Cc1ccc([C@@H](C)NC(=O)C[NH+]2CCC(NS(C)(=O)=O)CC2)cc1 ZINC000024760591 207295248 /nfs/dbraw/zinc/29/52/48/207295248.db2.gz WOTDWOINTVUGES-MRXNPFEDSA-N 1 2 395.569 2.076 50 0 GEAALO CS(=O)(=O)NC[C@H]1CCCC[N@@H+]1Cc1nc(-c2cccc(Cl)c2)no1 ZINC000026173369 207309748 /nfs/dbraw/zinc/30/97/48/207309748.db2.gz DABSJQXYBNHLEG-CQSZACIVSA-N 1 2 384.889 2.294 50 0 GEAALO CS(=O)(=O)NC[C@H]1CCCC[N@H+]1Cc1nc(-c2cccc(Cl)c2)no1 ZINC000026173369 207309750 /nfs/dbraw/zinc/30/97/50/207309750.db2.gz DABSJQXYBNHLEG-CQSZACIVSA-N 1 2 384.889 2.294 50 0 GEAALO CC[C@H](C)NC(=O)C[NH+]1CCN(Cn2nc(-c3cccs3)[nH]c2=S)CC1 ZINC000040061197 207336882 /nfs/dbraw/zinc/33/68/82/207336882.db2.gz NWMOUFLFQIIVAN-ZDUSSCGKSA-N 1 2 394.570 2.159 50 0 GEAALO O=C(COCCOc1ccccc1)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000040107446 207341268 /nfs/dbraw/zinc/34/12/68/207341268.db2.gz IIFHBZMFHIUCNL-OAQYLSRUSA-N 1 2 384.476 2.099 50 0 GEAALO O=C(COCCOc1ccccc1)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000040107446 207341273 /nfs/dbraw/zinc/34/12/73/207341273.db2.gz IIFHBZMFHIUCNL-OAQYLSRUSA-N 1 2 384.476 2.099 50 0 GEAALO Cn1ncc2c1nc[nH+]c2SC[C@@H]1CSc2nnc(-c3cccnc3)n21 ZINC000030572767 207371689 /nfs/dbraw/zinc/37/16/89/207371689.db2.gz GDOCFMWPBBCOIB-LLVKDONJSA-N 1 2 382.478 2.456 50 0 GEAALO C[C@@H](CS(=O)(=O)c1nc2ccccc2s1)[NH+]1CCC2(CC1)OCCO2 ZINC000057258217 207750698 /nfs/dbraw/zinc/75/06/98/207750698.db2.gz VETQFLSGYICEBR-ZDUSSCGKSA-N 1 2 382.507 2.297 50 0 GEAALO O=C(c1cc(-c2ccco2)n[nH]1)N1CCN(Cc2c[nH+]c3ccccn23)CC1 ZINC000090609411 207926674 /nfs/dbraw/zinc/92/66/74/207926674.db2.gz UBQFHGXTWQDPQJ-UHFFFAOYSA-N 1 2 376.420 2.275 50 0 GEAALO CCOC(=O)N1CCCn2nc(C[N@H+](C)Cc3ccc4nonc4c3)cc2C1 ZINC000072432747 208025290 /nfs/dbraw/zinc/02/52/90/208025290.db2.gz IFBOMERQLGNUEH-UHFFFAOYSA-N 1 2 384.440 2.414 50 0 GEAALO CCOC(=O)N1CCCn2nc(C[N@@H+](C)Cc3ccc4nonc4c3)cc2C1 ZINC000072432747 208025296 /nfs/dbraw/zinc/02/52/96/208025296.db2.gz IFBOMERQLGNUEH-UHFFFAOYSA-N 1 2 384.440 2.414 50 0 GEAALO CCC[N@@H+]1CCN(Cc2ccc(-c3ccccn3)cc2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC000072478489 208034250 /nfs/dbraw/zinc/03/42/50/208034250.db2.gz ZVVRALFUDGTIDF-RTWAWAEBSA-N 1 2 385.533 2.442 50 0 GEAALO CCC[N@H+]1CCN(Cc2ccc(-c3ccccn3)cc2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC000072478489 208034256 /nfs/dbraw/zinc/03/42/56/208034256.db2.gz ZVVRALFUDGTIDF-RTWAWAEBSA-N 1 2 385.533 2.442 50 0 GEAALO CCCCCCN1CC2(CCN(C(=O)[C@@H](C)[NH+]3CCN(C)CC3)CC2)OC1=O ZINC000077488920 208045854 /nfs/dbraw/zinc/04/58/54/208045854.db2.gz UREPBDHGFUDGPP-GOSISDBHSA-N 1 2 394.560 2.016 50 0 GEAALO Cc1noc(C)c1C(=O)N1CCC[C@@]2(CCC(=O)N(CCc3c[nH+]c[nH]3)C2)C1 ZINC000091603920 208127350 /nfs/dbraw/zinc/12/73/50/208127350.db2.gz RXZMCNWWWGKZQR-FQEVSTJZSA-N 1 2 385.468 2.102 50 0 GEAALO Cc1noc(C)c1C(=O)N1CCC[C@@]2(CCC(=O)N(CCc3c[nH]c[nH+]3)C2)C1 ZINC000091603920 208127357 /nfs/dbraw/zinc/12/73/57/208127357.db2.gz RXZMCNWWWGKZQR-FQEVSTJZSA-N 1 2 385.468 2.102 50 0 GEAALO Cc1noc(C)c1C(=O)N1CCC2(CCC(=O)N(CCc3c[nH+]c[nH]3)C2)CC1 ZINC000091849035 208137496 /nfs/dbraw/zinc/13/74/96/208137496.db2.gz GBBQLLWADYIJAA-UHFFFAOYSA-N 1 2 385.468 2.102 50 0 GEAALO Cc1noc(C)c1C(=O)N1CCC2(CCC(=O)N(CCc3c[nH]c[nH+]3)C2)CC1 ZINC000091849035 208137502 /nfs/dbraw/zinc/13/75/02/208137502.db2.gz GBBQLLWADYIJAA-UHFFFAOYSA-N 1 2 385.468 2.102 50 0 GEAALO CCc1nnc(C[N@@H+]2CCC[C@@]3(CCC(=O)N(CCc4ccccn4)C3)C2)o1 ZINC000091326826 208115002 /nfs/dbraw/zinc/11/50/02/208115002.db2.gz QTQBQYNUHFETQA-OAQYLSRUSA-N 1 2 383.496 2.474 50 0 GEAALO CCc1nnc(C[N@H+]2CCC[C@@]3(CCC(=O)N(CCc4ccccn4)C3)C2)o1 ZINC000091326826 208115007 /nfs/dbraw/zinc/11/50/07/208115007.db2.gz QTQBQYNUHFETQA-OAQYLSRUSA-N 1 2 383.496 2.474 50 0 GEAALO CCc1cc(C(=O)N2CCC[C@]3(CCC(=O)N(CCc4c[nH+]c[nH]4)C3)C2)no1 ZINC000091441567 208118610 /nfs/dbraw/zinc/11/86/10/208118610.db2.gz KDCZKFUUVWXQMT-HXUWFJFHSA-N 1 2 385.468 2.048 50 0 GEAALO CCc1cc(C(=O)N2CCC[C@]3(CCC(=O)N(CCc4c[nH]c[nH+]4)C3)C2)no1 ZINC000091441567 208118615 /nfs/dbraw/zinc/11/86/15/208118615.db2.gz KDCZKFUUVWXQMT-HXUWFJFHSA-N 1 2 385.468 2.048 50 0 GEAALO CN1C(=O)C[C@@H](C(=O)[O-])C12CC[NH+](C1CC[NH+](Cc3ccccc3)CC1)CC2 ZINC000095371127 208167231 /nfs/dbraw/zinc/16/72/31/208167231.db2.gz OAHBGGVKHPSZSH-IBGZPJMESA-N 1 2 385.508 2.049 50 0 GEAALO CC(=O)N1CCc2[nH]c[nH+]c2C12CCN(C(=O)Cc1cccc(F)c1F)CC2 ZINC000091894629 208140212 /nfs/dbraw/zinc/14/02/12/208140212.db2.gz XDLXUQNZCPRNLU-UHFFFAOYSA-N 1 2 388.418 2.153 50 0 GEAALO C[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1cc(=O)c3ccccc3[nH]1)CC2 ZINC000091952042 208145088 /nfs/dbraw/zinc/14/50/88/208145088.db2.gz QBZHRFRMPJCYMA-UHFFFAOYSA-N 1 2 377.448 2.283 50 0 GEAALO C[N@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1cc(=O)c3ccccc3[nH]1)CC2 ZINC000091952042 208145095 /nfs/dbraw/zinc/14/50/95/208145095.db2.gz QBZHRFRMPJCYMA-UHFFFAOYSA-N 1 2 377.448 2.283 50 0 GEAALO Cn1c(Cn2cc[nH+]c2)nnc1[C@H]1CCCN(C(=O)NCc2ccccc2)C1 ZINC000095385966 208174631 /nfs/dbraw/zinc/17/46/31/208174631.db2.gz FISVAPWHJVEDSK-KRWDZBQOSA-N 1 2 379.468 2.149 50 0 GEAALO O=C(Cc1ccsc1)N1CCC[C@]2(CCC(=O)N(CCc3c[nH+]c[nH]3)C2)C1 ZINC000095506463 208208373 /nfs/dbraw/zinc/20/83/73/208208373.db2.gz VONPMADSYVLXBC-FQEVSTJZSA-N 1 2 386.521 2.488 50 0 GEAALO O=C(Cc1ccsc1)N1CCC[C@]2(CCC(=O)N(CCc3c[nH]c[nH+]3)C2)C1 ZINC000095506463 208208382 /nfs/dbraw/zinc/20/83/82/208208382.db2.gz VONPMADSYVLXBC-FQEVSTJZSA-N 1 2 386.521 2.488 50 0 GEAALO COc1cc(C(=O)N2CCC[C@@H](c3nnc(Cn4cc[nH+]c4)n3C)C2)ccc1C ZINC000095387423 208175939 /nfs/dbraw/zinc/17/59/39/208175939.db2.gz UGHAPCQKGXLFOF-QGZVFWFLSA-N 1 2 394.479 2.397 50 0 GEAALO CCCn1cc(C[N@@H+]2CCc3nc(NC)nc(C(=O)N4CCCC4)c3C2)c(C)n1 ZINC000095386699 208177043 /nfs/dbraw/zinc/17/70/43/208177043.db2.gz FYACKGRMASVQCD-UHFFFAOYSA-N 1 2 397.527 2.228 50 0 GEAALO CCCn1cc(C[N@H+]2CCc3nc(NC)nc(C(=O)N4CCCC4)c3C2)c(C)n1 ZINC000095386699 208177047 /nfs/dbraw/zinc/17/70/47/208177047.db2.gz FYACKGRMASVQCD-UHFFFAOYSA-N 1 2 397.527 2.228 50 0 GEAALO NC(=O)CSc1ccccc1NC(=O)C[N@H+]1CC=C(c2cccnc2)CC1 ZINC000095454752 208187317 /nfs/dbraw/zinc/18/73/17/208187317.db2.gz URQBWVGOPHVZAU-UHFFFAOYSA-N 1 2 382.489 2.387 50 0 GEAALO NC(=O)CSc1ccccc1NC(=O)C[N@@H+]1CC=C(c2cccnc2)CC1 ZINC000095454752 208187323 /nfs/dbraw/zinc/18/73/23/208187323.db2.gz URQBWVGOPHVZAU-UHFFFAOYSA-N 1 2 382.489 2.387 50 0 GEAALO O=C(CCc1cccnc1)N1CCC[C@]2(CCC(=O)N(CCc3c[nH+]c[nH]3)C2)C1 ZINC000095501540 208200909 /nfs/dbraw/zinc/20/09/09/208200909.db2.gz VKWIELVPRCPRDB-QFIPXVFZSA-N 1 2 395.507 2.211 50 0 GEAALO O=C(CCc1cccnc1)N1CCC[C@]2(CCC(=O)N(CCc3c[nH]c[nH+]3)C2)C1 ZINC000095501540 208200911 /nfs/dbraw/zinc/20/09/11/208200911.db2.gz VKWIELVPRCPRDB-QFIPXVFZSA-N 1 2 395.507 2.211 50 0 GEAALO CCC(=O)N1CCc2[nH]c[nH+]c2C12CCN(C(=O)c1cnn(C(C)C)c1)CC2 ZINC000095500688 208201165 /nfs/dbraw/zinc/20/11/65/208201165.db2.gz XDFWIXFMBIXDCA-UHFFFAOYSA-N 1 2 384.484 2.113 50 0 GEAALO Cc1nnc(CCC(=O)N2CCC(c3[nH+]ccn3Cc3cscn3)CC2)[nH]1 ZINC000095499481 208202492 /nfs/dbraw/zinc/20/24/92/208202492.db2.gz OBKDGLXTZLENNY-UHFFFAOYSA-N 1 2 385.497 2.153 50 0 GEAALO COCC(=O)N1CCc2[nH]c[nH+]c2C12CCN(C(=O)[C@@H](C)c1ccccc1)CC2 ZINC000095503458 208204593 /nfs/dbraw/zinc/20/45/93/208204593.db2.gz RACFSIYZXWBVAO-INIZCTEOSA-N 1 2 396.491 2.062 50 0 GEAALO CC(C)C[N@@H+]1CCN(Cc2ccc(-c3cc[nH]n3)s2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC000095512522 208214320 /nfs/dbraw/zinc/21/43/20/208214320.db2.gz OZAODLSXPPPYBU-SJORKVTESA-N 1 2 394.566 2.077 50 0 GEAALO CC(C)C[N@H+]1CCN(Cc2ccc(-c3cc[nH]n3)s2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC000095512522 208214327 /nfs/dbraw/zinc/21/43/27/208214327.db2.gz OZAODLSXPPPYBU-SJORKVTESA-N 1 2 394.566 2.077 50 0 GEAALO CCC(=O)N1CCc2[nH]c[nH+]c2C12CCN(C(=O)c1ccc(C)cc1O)CC2 ZINC000095518427 208216760 /nfs/dbraw/zinc/21/67/60/208216760.db2.gz BTUCOCXGVSJTNT-UHFFFAOYSA-N 1 2 382.464 2.350 50 0 GEAALO Cc1nnc(CCC(=O)N2CCC(c3[nH+]ccn3Cc3ccccn3)CC2)[nH]1 ZINC000095520792 208219616 /nfs/dbraw/zinc/21/96/16/208219616.db2.gz FIJNHBCVGLTZPB-UHFFFAOYSA-N 1 2 379.468 2.092 50 0 GEAALO Cn1cc[nH+]c1CN1CCN(C(=O)Nc2c(-c3ccccc3)cnn2C)CC1 ZINC000096149586 208276989 /nfs/dbraw/zinc/27/69/89/208276989.db2.gz JNVFDQXQTBDQGJ-UHFFFAOYSA-N 1 2 379.468 2.170 50 0 GEAALO C[C@H]1[NH2+]C2(CCN(C(=O)c3ccccc3Cl)CC2)N(C[C@@H]2CCCO2)C1=O ZINC000096210930 208286165 /nfs/dbraw/zinc/28/61/65/208286165.db2.gz KCCZVDCPZXBGII-CABCVRRESA-N 1 2 391.899 2.272 50 0 GEAALO O=C(Cn1cc[nH+]c1)NCCN1C(=O)S/C(=C/c2ccccc2Cl)C1=O ZINC000096931081 208330373 /nfs/dbraw/zinc/33/03/73/208330373.db2.gz IGRGQHSUMCPBBP-NTEUORMPSA-N 1 2 390.852 2.389 50 0 GEAALO C[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)/C=C\c3cccs3)cc2)CC1 ZINC000096840088 208323671 /nfs/dbraw/zinc/32/36/71/208323671.db2.gz GDNAZSUMZDOLFP-TWGQIWQCSA-N 1 2 391.518 2.336 50 0 GEAALO CCN(CCn1cccn1)C(=O)Nc1cc2c(cc1-n1cc[nH+]c1)OCCO2 ZINC000097463620 208354732 /nfs/dbraw/zinc/35/47/32/208354732.db2.gz GWUNSKKJDLPAAU-UHFFFAOYSA-N 1 2 382.424 2.394 50 0 GEAALO CCn1c2ccc(C(=O)Nc3cccc(Cn4cc[nH+]c4)c3)cc2[nH]c(=O)c1=O ZINC000025171634 208875382 /nfs/dbraw/zinc/87/53/82/208875382.db2.gz MBTOABFKXGIXJO-UHFFFAOYSA-N 1 2 389.415 2.207 50 0 GEAALO O=C(CSc1nc2ccccc2s1)N1CC[NH+](CCn2cccn2)CC1 ZINC000062153585 209002131 /nfs/dbraw/zinc/00/21/31/209002131.db2.gz XCENVILGGLESQX-UHFFFAOYSA-N 1 2 387.534 2.429 50 0 GEAALO O=C(C[N@H+]1CCCC[C@@H]1[C@@H](O)C(F)(F)F)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000229981426 209004804 /nfs/dbraw/zinc/00/48/04/209004804.db2.gz MTDGLCYDHARZGY-KVSKMBFKSA-N 1 2 399.457 2.407 50 0 GEAALO O=C(C[N@@H+]1CCCC[C@@H]1[C@@H](O)C(F)(F)F)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000229981426 209004807 /nfs/dbraw/zinc/00/48/07/209004807.db2.gz MTDGLCYDHARZGY-KVSKMBFKSA-N 1 2 399.457 2.407 50 0 GEAALO C[N@H+](CC(=O)Nc1nnc([C@@H]2CCCO2)s1)Cc1ccc2c(c1)OCO2 ZINC000252479845 209031547 /nfs/dbraw/zinc/03/15/47/209031547.db2.gz BNTVEWVKUSNMGK-ZDUSSCGKSA-N 1 2 376.438 2.189 50 0 GEAALO C[N@@H+](CC(=O)Nc1nnc([C@@H]2CCCO2)s1)Cc1ccc2c(c1)OCO2 ZINC000252479845 209031553 /nfs/dbraw/zinc/03/15/53/209031553.db2.gz BNTVEWVKUSNMGK-ZDUSSCGKSA-N 1 2 376.438 2.189 50 0 GEAALO C[C@H]([NH2+][C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1cccs1)c1ccccc1 ZINC000013371102 221268057 /nfs/dbraw/zinc/26/80/57/221268057.db2.gz PGTJNPLCXXAJNY-QEJZJMRPSA-N 1 2 385.532 2.038 50 0 GEAALO COc1cccc(C[NH+]2CCN(C(=O)N[C@@H](C)Cn3nc(C)cc3C)CC2)c1 ZINC000426690251 533479968 /nfs/dbraw/zinc/47/99/68/533479968.db2.gz HIGDJTFRNAFRFR-KRWDZBQOSA-N 1 2 385.512 2.424 50 0 GEAALO O=S(=O)(c1ccccc1OC(F)(F)F)N1CCN(c2cccc[nH+]2)CC1 ZINC000055275605 132444989 /nfs/dbraw/zinc/44/49/89/132444989.db2.gz OWDBWUOCVODRSL-UHFFFAOYSA-N 1 2 387.383 2.491 50 0 GEAALO C[C@H](NC(=O)N1CCN(c2cccc[nH+]2)CC1)C(=O)Nc1ccc2cc[nH]c2c1 ZINC000061721022 136156066 /nfs/dbraw/zinc/15/60/66/136156066.db2.gz BTYMPJIGLMWZCN-HNNXBMFYSA-N 1 2 392.463 2.422 50 0 GEAALO O=C(NCC[NH+]1CCN(c2nccc(C(F)(F)F)n2)CC1)c1cccs1 ZINC000063598641 136156538 /nfs/dbraw/zinc/15/65/38/136156538.db2.gz PHBOQQPLAUGXKM-UHFFFAOYSA-N 1 2 385.415 2.109 50 0 GEAALO O=C1C[C@@H](c2ccc[nH+]c2N2CCOCC2)c2c(n[nH]c2-c2cccnc2)N1 ZINC000065386200 136163795 /nfs/dbraw/zinc/16/37/95/136163795.db2.gz BJPYOOHREMGSLJ-HNNXBMFYSA-N 1 2 376.420 2.177 50 0 GEAALO O=C(CN1CC[NH+](C[C@@H](O)c2ccc(F)cc2)CC1)N1CCCc2ccccc21 ZINC000066884601 136164383 /nfs/dbraw/zinc/16/43/83/136164383.db2.gz QBDHUUYOQHAXBY-JOCHJYFZSA-N 1 2 397.494 2.456 50 0 GEAALO O=C(c1ncccc1O)N1CCC[C@H]([NH+]2CCN(c3ccccc3F)CC2)C1 ZINC000072163920 136167242 /nfs/dbraw/zinc/16/72/42/136167242.db2.gz KPTCHQNKTZESPH-INIZCTEOSA-N 1 2 384.455 2.353 50 0 GEAALO Cc1[nH+]cn(-c2cc(N3CCN(C(=O)Cc4ccccc4)CC3)ncn2)c1C ZINC000072437389 136170665 /nfs/dbraw/zinc/17/06/65/136170665.db2.gz WKVFEYVZNUXTJD-UHFFFAOYSA-N 1 2 376.464 2.170 50 0 GEAALO CC(=O)c1ccc(N2CC[C@@H]3[C@@H](CCC(=O)N3CCCn3cc[nH+]c3)C2)nc1 ZINC000072457991 136171090 /nfs/dbraw/zinc/17/10/90/136171090.db2.gz SNYVHWYIHGJVMF-RBUKOAKNSA-N 1 2 381.480 2.388 50 0 GEAALO COc1ccccc1C(=O)N1CCN(c2ccc(Cn3cc[nH+]c3)cn2)CC1 ZINC000077520637 136172373 /nfs/dbraw/zinc/17/23/73/136172373.db2.gz MGMGGTGESHXVPR-UHFFFAOYSA-N 1 2 377.448 2.297 50 0 GEAALO Nc1cc(N2CCC3(CC2)Nc2ccccc2NC3=O)nc(N2CCCC2)[nH+]1 ZINC000082157410 136174223 /nfs/dbraw/zinc/17/42/23/136174223.db2.gz MINYPHQKDLBLKJ-UHFFFAOYSA-N 1 2 379.468 2.062 50 0 GEAALO Nc1cc(N2CCC3(CC2)Nc2ccccc2NC3=O)[nH+]c(N2CCCC2)n1 ZINC000082157410 136174224 /nfs/dbraw/zinc/17/42/24/136174224.db2.gz MINYPHQKDLBLKJ-UHFFFAOYSA-N 1 2 379.468 2.062 50 0 GEAALO O=C(NCCNc1cc(N2CCOCC2)nc[nH+]1)c1cccc2ccccc21 ZINC000082230543 136174359 /nfs/dbraw/zinc/17/43/59/136174359.db2.gz XYXKHQOKRDIRJQ-UHFFFAOYSA-N 1 2 377.448 2.308 50 0 GEAALO O=C(NCCNc1cc(N2CCOCC2)[nH+]cn1)c1cccc2ccccc21 ZINC000082230543 136174360 /nfs/dbraw/zinc/17/43/60/136174360.db2.gz XYXKHQOKRDIRJQ-UHFFFAOYSA-N 1 2 377.448 2.308 50 0 GEAALO COC[C@@]12CC[C@@H]([NH+]3CCOCC3)C[C@H]1CCN(c1ccc(C(=O)[O-])c[nH+]1)C2 ZINC000095379118 136178655 /nfs/dbraw/zinc/17/86/55/136178655.db2.gz NHEWMMPGGNWLHX-OPYAIIAOSA-N 1 2 389.496 2.124 50 0 GEAALO C[NH+]1CCN(C(=O)c2cncc(N3CCC[C@](C)(c4ccccc4)C3)n2)CC1 ZINC000095529524 136181722 /nfs/dbraw/zinc/18/17/22/136181722.db2.gz XWQFJEICUFIELG-QFIPXVFZSA-N 1 2 379.508 2.422 50 0 GEAALO O=C(Nc1ccccc1C[NH+]1CCOCC1)N1CCN(c2cccnc2)CC1 ZINC000096180549 136185062 /nfs/dbraw/zinc/18/50/62/136185062.db2.gz LWICUYOHLRNWRA-UHFFFAOYSA-N 1 2 381.480 2.268 50 0 GEAALO CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(c2cc(N3CCC[C@@H]3CO)nc[nH+]2)C1 ZINC000097212453 136188421 /nfs/dbraw/zinc/18/84/21/136188421.db2.gz VUXQMXOUQHYFDC-HZPDHXFCSA-N 1 2 391.516 2.273 50 0 GEAALO CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(c2cc(N3CCC[C@@H]3CO)[nH+]cn2)C1 ZINC000097212453 136188422 /nfs/dbraw/zinc/18/84/22/136188422.db2.gz VUXQMXOUQHYFDC-HZPDHXFCSA-N 1 2 391.516 2.273 50 0 GEAALO CCC[C@@H](NC(=O)CN(c1ccc(C)cc1)S(C)(=O)=O)c1[nH+]ccn1C ZINC000299756600 209082924 /nfs/dbraw/zinc/08/29/24/209082924.db2.gz FHAJVUVSOUSDTL-MRXNPFEDSA-N 1 2 378.498 2.152 50 0 GEAALO Cc1n[nH]c(C[N@@H+]2CCn3nc(CNC(=O)C4CCCC4)cc3C2)c1Cl ZINC000299780642 209086856 /nfs/dbraw/zinc/08/68/56/209086856.db2.gz UFNIPEPURYZTKQ-UHFFFAOYSA-N 1 2 376.892 2.390 50 0 GEAALO Cc1n[nH]c(C[N@H+]2CCn3nc(CNC(=O)C4CCCC4)cc3C2)c1Cl ZINC000299780642 209086859 /nfs/dbraw/zinc/08/68/59/209086859.db2.gz UFNIPEPURYZTKQ-UHFFFAOYSA-N 1 2 376.892 2.390 50 0 GEAALO Cc1noc(C)c1C[N@@H+]1CCc2c(C(=O)N3CC[C@H](CO)C3)csc2C1 ZINC000426588800 534360372 /nfs/dbraw/zinc/36/03/72/534360372.db2.gz BTUJBCLPOCAUNS-AWEZNQCLSA-N 1 2 375.494 2.366 50 0 GEAALO Cc1noc(C)c1C[N@H+]1CCc2c(C(=O)N3CC[C@H](CO)C3)csc2C1 ZINC000426588800 534360386 /nfs/dbraw/zinc/36/03/86/534360386.db2.gz BTUJBCLPOCAUNS-AWEZNQCLSA-N 1 2 375.494 2.366 50 0 GEAALO Cc1nc2c(c(N3CCC[C@H](c4nnc(C[NH+]5CCCC5)n4C)C3)n1)CCC2 ZINC000426707407 534621157 /nfs/dbraw/zinc/62/11/57/534621157.db2.gz KOQCVYCMYPAWLE-INIZCTEOSA-N 1 2 381.528 2.382 50 0 GEAALO NC(=O)CSc1ccccc1C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000024749769 526901041 /nfs/dbraw/zinc/90/10/41/526901041.db2.gz HLLMYMGRKWKNNM-UHFFFAOYSA-N 1 2 380.473 2.439 50 0 GEAALO COc1ccc(Cc2c(C)[nH+]c(C)nc2N2CCN(C(=O)N(C)C)CC2)cc1 ZINC000096316863 536533818 /nfs/dbraw/zinc/53/38/18/536533818.db2.gz XNLWYSYXENVANP-UHFFFAOYSA-N 1 2 383.496 2.496 50 0 GEAALO C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC000048128753 570219115 /nfs/dbraw/zinc/21/91/15/570219115.db2.gz MNEFEPUBWFISPQ-ZFWWWQNUSA-N 1 2 394.397 2.455 50 0 GEAALO O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000048236867 570222376 /nfs/dbraw/zinc/22/23/76/570222376.db2.gz MIWWMWWJMGRLCF-OAHLLOKOSA-N 1 2 398.429 2.489 50 0 GEAALO O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)c1cccnc1-n1cncn1 ZINC000048261646 570224634 /nfs/dbraw/zinc/22/46/34/570224634.db2.gz XXBIGBJLPNFDPN-UHFFFAOYSA-N 1 2 377.452 2.368 50 0 GEAALO CC(C)(C)OC(=O)NC(C)(C)c1noc(C[NH+]2CCC3(CC2)OCCO3)n1 ZINC000048287590 570227673 /nfs/dbraw/zinc/22/76/73/570227673.db2.gz QFEOVDNWUVKLDC-UHFFFAOYSA-N 1 2 382.461 2.168 50 0 GEAALO Cc1nc2n(n1)C(=O)C([C@H](c1cccc(C)c1)[NH+]1CCC(C(N)=O)CC1)S2 ZINC000022627545 570228647 /nfs/dbraw/zinc/22/86/47/570228647.db2.gz IOQUMQJJLGIYJF-HNNXBMFYSA-N 1 2 385.493 2.400 50 0 GEAALO CNS(=O)(=O)c1cccc(C(=O)Nc2ccc3[nH+]c(N(C)C)ccc3c2)c1 ZINC000048366456 570246388 /nfs/dbraw/zinc/24/63/88/570246388.db2.gz RZSDBOWIBLUPCF-UHFFFAOYSA-N 1 2 384.461 2.461 50 0 GEAALO O=C(c1cnn2c1nccc2-c1ccncc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000049002955 570261398 /nfs/dbraw/zinc/26/13/98/570261398.db2.gz SHFNJBCIPNALMP-UHFFFAOYSA-N 1 2 385.431 2.149 50 0 GEAALO COc1ccc2c(c1)N1CCN(c3cccc[nH+]3)C[C@H]1[C@@H](C(=O)NC(C)C)C2 ZINC000230137790 570263628 /nfs/dbraw/zinc/26/36/28/570263628.db2.gz VXBSZBILJCVHRE-ICSRJNTNSA-N 1 2 380.492 2.482 50 0 GEAALO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)c2csc(-c3ccco3)n2)CC1 ZINC000012874507 570274424 /nfs/dbraw/zinc/27/44/24/570274424.db2.gz VQOFILQATDOEMM-UHFFFAOYSA-N 1 2 395.448 2.042 50 0 GEAALO O=C(CC1=CSC2=[NH+]CCCN12)N1CCC[C@]2(CCC(=O)N(C3CC3)C2)C1 ZINC000102365831 570288486 /nfs/dbraw/zinc/28/84/86/570288486.db2.gz IVIWVSSRNDGUSO-FQEVSTJZSA-N 1 2 388.537 2.420 50 0 GEAALO Cn1cc[nH+]c1[C@H](NS(=O)(=O)c1cccc(C(=O)N2CCCC2)c1)C1CC1 ZINC000215438759 570289031 /nfs/dbraw/zinc/28/90/31/570289031.db2.gz HSSJZACAGACKBI-QGZVFWFLSA-N 1 2 388.493 2.086 50 0 GEAALO CC1=C[C@@H]([NH+]2CCN(c3ccccc3)CC2)[C@@H](C2C(=O)OC(C)(C)OC2=O)C1=O ZINC000000715802 570303004 /nfs/dbraw/zinc/30/30/04/570303004.db2.gz RAJNCSVIONOROJ-SJORKVTESA-N 1 2 398.459 2.402 50 0 GEAALO O=C([C@@H]1CCCO1)N1CC[NH+](Cc2cc(=O)oc3cc4c(cc23)CCC4)CC1 ZINC000023821774 570333302 /nfs/dbraw/zinc/33/33/02/570333302.db2.gz LNYYXMNFFJYJAN-IBGZPJMESA-N 1 2 382.460 2.105 50 0 GEAALO CCc1ccc([C@@H]2CCc3nc(C(=O)NCC[NH+]4CCOCC4)cn3C2)cc1 ZINC000034899391 570343234 /nfs/dbraw/zinc/34/32/34/570343234.db2.gz LMMCMNQODWQMQS-LJQANCHMSA-N 1 2 382.508 2.238 50 0 GEAALO COc1ccc(C[N@H+](C)CC(=O)NCC(=O)Nc2ccc(F)cc2)c(OC)c1 ZINC000007973976 570348603 /nfs/dbraw/zinc/34/86/03/570348603.db2.gz IKKKETLYBJIFHR-UHFFFAOYSA-N 1 2 389.427 2.030 50 0 GEAALO COc1ccc(C[N@@H+](C)CC(=O)NCC(=O)Nc2ccc(F)cc2)c(OC)c1 ZINC000007973976 570348606 /nfs/dbraw/zinc/34/86/06/570348606.db2.gz IKKKETLYBJIFHR-UHFFFAOYSA-N 1 2 389.427 2.030 50 0 GEAALO COc1cc(NC(=O)C[N@H+]2CC=C(c3cnn(C)c3)CC2)cc(OC)c1OC ZINC000035403415 570350864 /nfs/dbraw/zinc/35/08/64/570350864.db2.gz GGNXTHJGNJTWBJ-UHFFFAOYSA-N 1 2 386.452 2.174 50 0 GEAALO COc1cc(NC(=O)C[N@@H+]2CC=C(c3cnn(C)c3)CC2)cc(OC)c1OC ZINC000035403415 570350867 /nfs/dbraw/zinc/35/08/67/570350867.db2.gz GGNXTHJGNJTWBJ-UHFFFAOYSA-N 1 2 386.452 2.174 50 0 GEAALO O=C(N[C@H]1CCOC[C@H]1C1CCOCC1)c1cnc(C[NH+]2CCCC2)s1 ZINC000219807474 570375826 /nfs/dbraw/zinc/37/58/26/570375826.db2.gz SWWDIZGDCGRVDF-HOTGVXAUSA-N 1 2 379.526 2.300 50 0 GEAALO Cc1ccc(OCC[N@H+]2CCn3nc([C@@H](O)c4nccn4C)cc3C2)cc1C ZINC000220363437 570385658 /nfs/dbraw/zinc/38/56/58/570385658.db2.gz USUXFRFOSWTDEG-HXUWFJFHSA-N 1 2 381.480 2.210 50 0 GEAALO Cc1ccc(OCC[N@@H+]2CCn3nc([C@@H](O)c4nccn4C)cc3C2)cc1C ZINC000220363437 570385662 /nfs/dbraw/zinc/38/56/62/570385662.db2.gz USUXFRFOSWTDEG-HXUWFJFHSA-N 1 2 381.480 2.210 50 0 GEAALO CS(=O)(=O)c1ccc(CC(=O)N2CCCC[C@H]2CCn2cc[nH+]c2)cc1 ZINC000222904825 570430662 /nfs/dbraw/zinc/43/06/62/570430662.db2.gz KGJVNOSYOONBGT-KRWDZBQOSA-N 1 2 375.494 2.301 50 0 GEAALO CCOC(=O)[C@H]1CCC[N@@H+]([C@H]2CC(=O)N(c3ccc(OC)c(Cl)c3)C2=O)C1 ZINC000240551636 570430832 /nfs/dbraw/zinc/43/08/32/570430832.db2.gz GVAWXBBDVUTYJD-WFASDCNBSA-N 1 2 394.855 2.256 50 0 GEAALO CCOC(=O)[C@H]1CCC[N@H+]([C@H]2CC(=O)N(c3ccc(OC)c(Cl)c3)C2=O)C1 ZINC000240551636 570430836 /nfs/dbraw/zinc/43/08/36/570430836.db2.gz GVAWXBBDVUTYJD-WFASDCNBSA-N 1 2 394.855 2.256 50 0 GEAALO Cc1cccc(Cn2c(C[N@H+]3CCCC[C@@H]3C)nc3c2c(=O)n(C)c(=O)n3C)c1 ZINC000006199735 570471468 /nfs/dbraw/zinc/47/14/68/570471468.db2.gz VSJXBVQTBZGVPQ-INIZCTEOSA-N 1 2 395.507 2.165 50 0 GEAALO Cc1cccc(Cn2c(C[N@@H+]3CCCC[C@@H]3C)nc3c2c(=O)n(C)c(=O)n3C)c1 ZINC000006199735 570471470 /nfs/dbraw/zinc/47/14/70/570471470.db2.gz VSJXBVQTBZGVPQ-INIZCTEOSA-N 1 2 395.507 2.165 50 0 GEAALO O=S(=O)(c1ccc(Cl)cc1)[C@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1ccccc1 ZINC000054306924 570493152 /nfs/dbraw/zinc/49/31/52/570493152.db2.gz MFIVUWHCHDTPKN-IRXDYDNUSA-N 1 2 399.921 2.069 50 0 GEAALO O=S(=O)(c1ccc(SCc2cn3ccccc3[nH+]2)nc1)N1CCOCC1 ZINC000005179932 570495006 /nfs/dbraw/zinc/49/50/06/570495006.db2.gz ZHLBUEZJUMCWDU-UHFFFAOYSA-N 1 2 390.490 2.043 50 0 GEAALO CC[C@H](C)[C@@H]1[NH2+]C2(CCN(S(=O)(=O)c3ccccc3)CC2)N(CC)C1=O ZINC000036029107 570513780 /nfs/dbraw/zinc/51/37/80/570513780.db2.gz QDRCHFOUHFSAMP-RDJZCZTQSA-N 1 2 379.526 2.034 50 0 GEAALO CC[C@@H](C)[C@@H]1[NH2+]C2(CCN(S(=O)(=O)c3ccc(F)cc3)CC2)N(CC)C1=O ZINC000036029114 570514027 /nfs/dbraw/zinc/51/40/27/570514027.db2.gz UCGGZSIHAXXCJC-PBHICJAKSA-N 1 2 397.516 2.173 50 0 GEAALO COC(=O)c1csc(N2[NH2+]C3=C(COc4ccccc43)[C@@]2(O)C(F)(F)F)n1 ZINC000005275041 570547951 /nfs/dbraw/zinc/54/79/51/570547951.db2.gz HCNVRRYNDYLIDJ-BJOHPYRUSA-N 1 2 399.350 2.414 50 0 GEAALO C[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2)CC1 ZINC000035877332 570558787 /nfs/dbraw/zinc/55/87/87/570558787.db2.gz FOCSRMWIJMVQRZ-UHFFFAOYSA-N 1 2 377.441 2.014 50 0 GEAALO O=C(Nc1ccccc1C[NH+]1CCOCC1)NC1CCN(C(=O)C2CC2)CC1 ZINC000040152316 570558864 /nfs/dbraw/zinc/55/88/64/570558864.db2.gz BAOSPVRKYRLXDL-UHFFFAOYSA-N 1 2 386.496 2.041 50 0 GEAALO O=C([C@H](C1CCCC1)[NH+]1CCN(C(=O)C2CCCC2)CC1)N1CCSCC1 ZINC000036251175 570587386 /nfs/dbraw/zinc/58/73/86/570587386.db2.gz KTEBYMCNDWLFBZ-IBGZPJMESA-N 1 2 393.597 2.455 50 0 GEAALO CCOC(=O)c1cnn(-c2cc(C)ccc2C)c1C[NH+]1CCC(C(N)=O)CC1 ZINC000012040867 570600477 /nfs/dbraw/zinc/60/04/77/570600477.db2.gz MNHKTOIMGNKION-UHFFFAOYSA-N 1 2 384.480 2.363 50 0 GEAALO O=C(OCc1ccnc(-n2cc[nH+]c2)c1)c1ccc(CN2C(=O)CCC2=O)cc1 ZINC000072314156 570653645 /nfs/dbraw/zinc/65/36/45/570653645.db2.gz AMRUUKIEXFWMAE-UHFFFAOYSA-N 1 2 390.399 2.273 50 0 GEAALO O=C(C[C@H]1Sc2ccccc2NC1=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000011128685 570668223 /nfs/dbraw/zinc/66/82/23/570668223.db2.gz CEJCBZGLIUVVFA-QGZVFWFLSA-N 1 2 398.488 2.038 50 0 GEAALO CC(=O)N1CCN(c2[nH+]cccc2CNC(=O)c2cc3ccccc3o2)CC1 ZINC000012597215 570689570 /nfs/dbraw/zinc/68/95/70/570689570.db2.gz ZCBVFZWGATZHCU-UHFFFAOYSA-N 1 2 378.432 2.426 50 0 GEAALO O=C(C[C@@H]1C(=O)NCC[N@H+]1C/C=C/c1ccccc1)NCCCc1cccnc1 ZINC000055384701 570693238 /nfs/dbraw/zinc/69/32/38/570693238.db2.gz IOOMRHDVKBRHAE-VWMRQFFHSA-N 1 2 392.503 2.034 50 0 GEAALO O=C(C[C@@H]1C(=O)NCC[N@@H+]1C/C=C/c1ccccc1)NCCCc1cccnc1 ZINC000055384701 570693242 /nfs/dbraw/zinc/69/32/42/570693242.db2.gz IOOMRHDVKBRHAE-VWMRQFFHSA-N 1 2 392.503 2.034 50 0 GEAALO CCn1nc(C)c(S(=O)(=O)N2CC[NH+](Cc3ccccc3C)CC2)c1C ZINC000036614582 570750425 /nfs/dbraw/zinc/75/04/25/570750425.db2.gz JHUZARMNTIUOTQ-UHFFFAOYSA-N 1 2 376.526 2.335 50 0 GEAALO Cn1c2ccccc2nc1-c1cc2n(n1)CC[N@H+](Cc1cnn3cccnc13)C2 ZINC000065396644 570765632 /nfs/dbraw/zinc/76/56/32/570765632.db2.gz OHQCDJYTEYNYKZ-UHFFFAOYSA-N 1 2 384.447 2.495 50 0 GEAALO Cn1c2ccccc2nc1-c1cc2n(n1)CC[N@@H+](Cc1cnn3cccnc13)C2 ZINC000065396644 570765635 /nfs/dbraw/zinc/76/56/35/570765635.db2.gz OHQCDJYTEYNYKZ-UHFFFAOYSA-N 1 2 384.447 2.495 50 0 GEAALO Cc1nc(C[NH2+]CC(=O)Nc2nnc([C@H]3CCCO3)s2)nc2c1CCCC2 ZINC000065417284 570767490 /nfs/dbraw/zinc/76/74/90/570767490.db2.gz HAABDIUXMFZGGA-CQSZACIVSA-N 1 2 388.497 2.095 50 0 GEAALO O=C(Nc1c[nH+]c2n1CCCC2)c1sccc1S(=O)(=O)N1CCCC1 ZINC000067540872 570781082 /nfs/dbraw/zinc/78/10/82/570781082.db2.gz XVPNQTNUDLATRO-UHFFFAOYSA-N 1 2 380.495 2.318 50 0 GEAALO O=C(CCc1ccc2c(c1)OCO2)NCc1ccccc1C[NH+]1CCOCC1 ZINC000067602095 570782727 /nfs/dbraw/zinc/78/27/27/570782727.db2.gz DFEBWQCZSWJVAL-UHFFFAOYSA-N 1 2 382.460 2.497 50 0 GEAALO CCc1nnc(C[N@H+](C)C[C@@]2(O)CCCN(CCC3CCCCC3)C2=O)o1 ZINC000067603946 570783132 /nfs/dbraw/zinc/78/31/32/570783132.db2.gz PNCCQGAXXHNLHR-FQEVSTJZSA-N 1 2 378.517 2.388 50 0 GEAALO CCc1nnc(C[N@@H+](C)C[C@@]2(O)CCCN(CCC3CCCCC3)C2=O)o1 ZINC000067603946 570783135 /nfs/dbraw/zinc/78/31/35/570783135.db2.gz PNCCQGAXXHNLHR-FQEVSTJZSA-N 1 2 378.517 2.388 50 0 GEAALO NC(=O)c1cc2c([nH+]c1N1CCC(n3nccc3NC(=O)C3CC3)CC1)CCC2 ZINC000067908225 570796814 /nfs/dbraw/zinc/79/68/14/570796814.db2.gz VUXDPTWUBJSODQ-UHFFFAOYSA-N 1 2 394.479 2.056 50 0 GEAALO O=C(Nc1ccccc1)C1=C(NCC[NH+]2CCCC2)c2ccccc2S1(=O)=O ZINC000068561605 570800685 /nfs/dbraw/zinc/80/06/85/570800685.db2.gz PBTNSFFVNLABRE-UHFFFAOYSA-N 1 2 397.500 2.467 50 0 GEAALO O=C(NC[C@H]1COc2ccccc2O1)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000032802206 570820647 /nfs/dbraw/zinc/82/06/47/570820647.db2.gz KSWDVYLSTCYIBO-OALUTQOASA-N 1 2 397.475 2.199 50 0 GEAALO CC1CCC2(CC1)NC(=O)N(NC(=O)C[N@@H+]1CCC[C@H]1c1cccs1)C2=O ZINC000007362686 570833959 /nfs/dbraw/zinc/83/39/59/570833959.db2.gz ZSNCFHNYTMTRIQ-BIWSTMPVSA-N 1 2 390.509 2.417 50 0 GEAALO CC1CCC2(CC1)NC(=O)N(NC(=O)C[N@H+]1CCC[C@H]1c1cccs1)C2=O ZINC000007362686 570833961 /nfs/dbraw/zinc/83/39/61/570833961.db2.gz ZSNCFHNYTMTRIQ-BIWSTMPVSA-N 1 2 390.509 2.417 50 0 GEAALO C[C@H](c1ccccc1)N1C[C@H](C(=O)N2CC[NH+](Cc3ccncc3)CC2)CC1=O ZINC000012533586 570834743 /nfs/dbraw/zinc/83/47/43/570834743.db2.gz GYMSNQPYBQGWGV-WIYYLYMNSA-N 1 2 392.503 2.336 50 0 GEAALO Cc1cc2[nH+]cn(C[C@@H](O)CN3C(=O)N[C@](C)(c4ccccc4)C3=O)c2cc1C ZINC000051127365 570834930 /nfs/dbraw/zinc/83/49/30/570834930.db2.gz ZCFSHFRHTLRPLK-VGOFRKELSA-N 1 2 392.459 2.481 50 0 GEAALO C[C@H](c1ccccc1)N1C[C@@H](C(=O)N2CC[NH+](Cc3ccncc3)CC2)CC1=O ZINC000012533583 570835006 /nfs/dbraw/zinc/83/50/06/570835006.db2.gz GYMSNQPYBQGWGV-NQIIRXRSSA-N 1 2 392.503 2.336 50 0 GEAALO CN(Cc1ccccc1)C(=O)c1nc2ccccn2c1C[N@@H+]1CC=C[C@@H]1CO ZINC000071753226 570847305 /nfs/dbraw/zinc/84/73/05/570847305.db2.gz FZWOOOQLNSDEBT-GOSISDBHSA-N 1 2 376.460 2.339 50 0 GEAALO CN(Cc1ccccc1)C(=O)c1nc2ccccn2c1C[N@H+]1CC=C[C@@H]1CO ZINC000071753226 570847308 /nfs/dbraw/zinc/84/73/08/570847308.db2.gz FZWOOOQLNSDEBT-GOSISDBHSA-N 1 2 376.460 2.339 50 0 GEAALO C[C@@]1(C2CC2)NC(=O)N(CC(=O)Nc2ccc3c(c2)[nH+]c2n3CCCCC2)C1=O ZINC000012547723 570849302 /nfs/dbraw/zinc/84/93/02/570849302.db2.gz IDLAVQCXUGJKTL-NRFANRHFSA-N 1 2 395.463 2.422 50 0 GEAALO COc1ccc(-n2cccn2)c(CN2CCc3[nH+]c[nH]c3[C@H]2c2nccn2C)c1 ZINC000071771163 570852009 /nfs/dbraw/zinc/85/20/09/570852009.db2.gz YUPLZLCNXHWNLV-FQEVSTJZSA-N 1 2 389.463 2.485 50 0 GEAALO COc1ccc(-n2cccn2)c(CN2CCc3[nH+]c[nH]c3[C@@H]2c2nccn2C)c1 ZINC000071771165 570852516 /nfs/dbraw/zinc/85/25/16/570852516.db2.gz YUPLZLCNXHWNLV-HXUWFJFHSA-N 1 2 389.463 2.485 50 0 GEAALO Cc1cc2nc(C)c(=O)n(CC(=O)N3CCN(c4cccc[nH+]4)CC3)c2cc1C ZINC000033254778 570859924 /nfs/dbraw/zinc/85/99/24/570859924.db2.gz LIYDNPNALGCNMD-UHFFFAOYSA-N 1 2 391.475 2.066 50 0 GEAALO CC(C)=CC[N@@H+]1CCNC(=O)[C@H]1CC(=O)N(C)Cc1csc(C(C)C)n1 ZINC000072152770 570873972 /nfs/dbraw/zinc/87/39/72/570873972.db2.gz JSSANRKQEOXRET-MRXNPFEDSA-N 1 2 378.542 2.382 50 0 GEAALO CC(C)=CC[N@H+]1CCNC(=O)[C@H]1CC(=O)N(C)Cc1csc(C(C)C)n1 ZINC000072152770 570873974 /nfs/dbraw/zinc/87/39/74/570873974.db2.gz JSSANRKQEOXRET-MRXNPFEDSA-N 1 2 378.542 2.382 50 0 GEAALO COc1ccccc1S(=O)(=O)N1CCN(c2[nH+]c3ccccc3n2C)CC1 ZINC000044443748 570879964 /nfs/dbraw/zinc/87/99/64/570879964.db2.gz BSUDWPMDEXYTNO-UHFFFAOYSA-N 1 2 386.477 2.093 50 0 GEAALO O=C(NC[C@H]([C@H]1CCOC1)[NH+]1CCOCC1)c1csc(-c2ccsc2)n1 ZINC000042394306 570890798 /nfs/dbraw/zinc/89/07/98/570890798.db2.gz DDFBPVFWBRWKEG-XJKSGUPXSA-N 1 2 393.534 2.339 50 0 GEAALO NC(=O)[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccccc1 ZINC000032903018 570901131 /nfs/dbraw/zinc/90/11/31/570901131.db2.gz PSPJSIRXZGRRHO-IBGZPJMESA-N 1 2 387.505 2.177 50 0 GEAALO O=C(NCc1cc[nH+]c(N2CCCC2)c1)C1=NN(c2ccccc2)C(=O)CC1 ZINC000032905538 570903615 /nfs/dbraw/zinc/90/36/15/570903615.db2.gz RBRPQCLKYDBDGI-UHFFFAOYSA-N 1 2 377.448 2.481 50 0 GEAALO CCCN(Cc1[nH+]ccn1C)C(=O)c1ccc(-c2cncc(C(N)=O)n2)cc1 ZINC000534587336 570904729 /nfs/dbraw/zinc/90/47/29/570904729.db2.gz LEXGDZOZMUXOGI-UHFFFAOYSA-N 1 2 378.436 2.028 50 0 GEAALO Cn1ccnc1[C@@H](NC(=O)N1CC[NH+](CCOc2ccccc2)CC1)C1CC1 ZINC000534662772 570922540 /nfs/dbraw/zinc/92/25/40/570922540.db2.gz RTIFDCPDEWFTPP-IBGZPJMESA-N 1 2 383.496 2.277 50 0 GEAALO C[C@@H](Cn1cc[nH+]c1)NC(=O)CCn1cnc2sc3c(c2c1=O)CCCC3 ZINC000047264944 570950823 /nfs/dbraw/zinc/95/08/23/570950823.db2.gz HOWIVPAPZBJMTF-ZDUSSCGKSA-N 1 2 385.493 2.128 50 0 GEAALO Cn1cnn(C[NH+]2CCC(C(=O)NCCc3ccccc3F)CC2)c1=S ZINC000054516099 570962117 /nfs/dbraw/zinc/96/21/17/570962117.db2.gz DLAFNISNVQNYDE-UHFFFAOYSA-N 1 2 377.489 2.119 50 0 GEAALO CC(=O)Nc1nc(C)c(S(=O)(=O)N2CC[NH+](C3CCCCC3)CC2)s1 ZINC000016622368 570982236 /nfs/dbraw/zinc/98/22/36/570982236.db2.gz SSEMGBBNKIPJKA-UHFFFAOYSA-N 1 2 386.543 2.049 50 0 GEAALO COc1ccccc1CCNC(=O)C[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000007677323 571015168 /nfs/dbraw/zinc/01/51/68/571015168.db2.gz YXQBQHYAIFGCBY-UHFFFAOYSA-N 1 2 384.476 2.429 50 0 GEAALO COc1ccccc1CCNC(=O)C[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000007677323 571015172 /nfs/dbraw/zinc/01/51/72/571015172.db2.gz YXQBQHYAIFGCBY-UHFFFAOYSA-N 1 2 384.476 2.429 50 0 GEAALO O=C(C[NH+]1Cc2ccccc2C1)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000084582082 571024202 /nfs/dbraw/zinc/02/42/02/571024202.db2.gz UXRMYJVJEXROAE-UHFFFAOYSA-N 1 2 399.516 2.103 50 0 GEAALO C[C@@H]1CN(C[C@@H](C[NH+]2C[C@H](C)O[C@@H](C)C2)NC(=O)OC(C)(C)C)C[C@@H](C)O1 ZINC000241435141 231038584 /nfs/dbraw/zinc/03/85/84/231038584.db2.gz NKZJNMBPSKWRBZ-LZJIMXNJSA-N 1 2 385.549 2.098 50 0 GEAALO C[C@@H]1C[NH+](C[C@@H](CN2C[C@H](C)O[C@@H](C)C2)NC(=O)OC(C)(C)C)C[C@@H](C)O1 ZINC000241435141 231038586 /nfs/dbraw/zinc/03/85/86/231038586.db2.gz NKZJNMBPSKWRBZ-LZJIMXNJSA-N 1 2 385.549 2.098 50 0 GEAALO O=C(CN1C(=O)S/C(=C\c2cccs2)C1=O)NCCCn1cc[nH+]c1 ZINC000006660649 531529043 /nfs/dbraw/zinc/52/90/43/531529043.db2.gz QMPRFPHEXJJSDV-LCYFTJDESA-N 1 2 376.463 2.187 50 0 GEAALO O=C(NCC[NH+]1CCN(c2ccccn2)CC1)c1cccc(Br)c1 ZINC000008844812 531547703 /nfs/dbraw/zinc/54/77/03/531547703.db2.gz UOEOLSVOYVKWFB-UHFFFAOYSA-N 1 2 389.297 2.396 50 0 GEAALO C[N@H+](CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21)Cc1ccc(Cl)s1 ZINC000032850999 531655771 /nfs/dbraw/zinc/65/57/71/531655771.db2.gz AQUBWGPDDFALQB-UHFFFAOYSA-N 1 2 399.925 2.070 50 0 GEAALO C[N@@H+](CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21)Cc1ccc(Cl)s1 ZINC000032850999 531655777 /nfs/dbraw/zinc/65/57/77/531655777.db2.gz AQUBWGPDDFALQB-UHFFFAOYSA-N 1 2 399.925 2.070 50 0 GEAALO CC[C@H](C)NC(=O)C[NH+]1CCN(Cc2cc(Br)ccc2OC)CC1 ZINC000044743138 531686530 /nfs/dbraw/zinc/68/65/30/531686530.db2.gz XBTBMSAKFYVZQD-AWEZNQCLSA-N 1 2 398.345 2.490 50 0 GEAALO CCOc1ccc(-c2csc(C)n2)cc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000065060266 531873404 /nfs/dbraw/zinc/87/34/04/531873404.db2.gz TUDGJFMJQMDJCR-UHFFFAOYSA-N 1 2 381.523 2.453 50 0 GEAALO O=C(NCCNc1cc(-n2cccc2)nc[nH+]1)c1ccc(Br)o1 ZINC000077101388 531917673 /nfs/dbraw/zinc/91/76/73/531917673.db2.gz MXYCMSLLSYSADE-UHFFFAOYSA-N 1 2 376.214 2.465 50 0 GEAALO O=c1onc(-c2ccccc2)n1C[C@@H](O)C[N@@H+]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000229802122 206260747 /nfs/dbraw/zinc/26/07/47/206260747.db2.gz UHAXHMDIPUCLCE-RBUKOAKNSA-N 1 2 399.422 2.077 50 0 GEAALO O=c1onc(-c2ccccc2)n1C[C@@H](O)C[N@H+]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000229802122 206260751 /nfs/dbraw/zinc/26/07/51/206260751.db2.gz UHAXHMDIPUCLCE-RBUKOAKNSA-N 1 2 399.422 2.077 50 0 GEAALO Cc1ccc(N2CCN(CC(=O)N3CC[C@H](Oc4cc[nH+]cc4)C3)C2=O)cc1 ZINC000240122544 206280403 /nfs/dbraw/zinc/28/04/03/206280403.db2.gz WCFRFKGXONFRHK-IBGZPJMESA-N 1 2 380.448 2.312 50 0 GEAALO O=C(NCCC1=CCCCC1)C(=O)NC[C@@H](c1ccco1)[NH+]1CCSCC1 ZINC000253394867 206281649 /nfs/dbraw/zinc/28/16/49/206281649.db2.gz BJWCKSOWQJRVOR-KRWDZBQOSA-N 1 2 391.537 2.492 50 0 GEAALO O=S(=O)(NC[C@@H](c1ccco1)[NH+]1CCSCC1)c1ccc2c(c1)CCO2 ZINC000253408776 206282944 /nfs/dbraw/zinc/28/29/44/206282944.db2.gz YSHCCQHDEAKYDP-INIZCTEOSA-N 1 2 394.518 2.283 50 0 GEAALO Cc1nc(N2CCN(S(C)(=O)=O)CC2)c(Cc2ccc(Cl)cc2)c(C)[nH+]1 ZINC000000698361 206317861 /nfs/dbraw/zinc/31/78/61/206317861.db2.gz UPKQCGJWERYXHN-UHFFFAOYSA-N 1 2 394.928 2.419 50 0 GEAALO COc1ccc(OC)c(N2C(=O)C[C@H]([NH+]3CCN(c4ccccc4)CC3)C2=O)c1 ZINC000000986353 206338258 /nfs/dbraw/zinc/33/82/58/206338258.db2.gz AHYCSVMVFKPRAI-IBGZPJMESA-N 1 2 395.459 2.158 50 0 GEAALO O=C(NCc1ccccc1C[NH+]1CCOCC1)c1cccnc1N1CCCC1 ZINC000014170467 207011681 /nfs/dbraw/zinc/01/16/81/207011681.db2.gz JHFXEWOULOCXBB-UHFFFAOYSA-N 1 2 380.492 2.444 50 0 GEAALO O=C(C[NH+]1CCC(NS(=O)(=O)c2ccccc2)CC1)Nc1ccc(F)cc1 ZINC000014232060 207016318 /nfs/dbraw/zinc/01/63/18/207016318.db2.gz MVTSZYPEVWNNBE-UHFFFAOYSA-N 1 2 391.468 2.207 50 0 GEAALO O=C1C[N@H+](Cc2cnc(-c3ccccc3)s2)C[C@@H](O)CN1Cc1cccnc1 ZINC000014532658 207022668 /nfs/dbraw/zinc/02/26/68/207022668.db2.gz CCKZMGZPSOFION-GOSISDBHSA-N 1 2 394.500 2.410 50 0 GEAALO O=C1C[N@@H+](Cc2cnc(-c3ccccc3)s2)C[C@@H](O)CN1Cc1cccnc1 ZINC000014532658 207022671 /nfs/dbraw/zinc/02/26/71/207022671.db2.gz CCKZMGZPSOFION-GOSISDBHSA-N 1 2 394.500 2.410 50 0 GEAALO Cc1ccccc1N1CCN(c2[nH+]cccc2CNC(=O)c2ccnn2C)CC1 ZINC000015076960 207047283 /nfs/dbraw/zinc/04/72/83/207047283.db2.gz WEHFJJSEGZCNOT-UHFFFAOYSA-N 1 2 390.491 2.380 50 0 GEAALO CC[C@@H](NC(=O)CCCn1nnnc1C[NH+]1CCC(C)CC1)c1ccncc1 ZINC000015067301 207041913 /nfs/dbraw/zinc/04/19/13/207041913.db2.gz ZAESZFSSJRUDCX-GOSISDBHSA-N 1 2 385.516 2.348 50 0 GEAALO COc1ccc(C(=O)N2CC[NH+](Cc3cc(=O)c4ccccc4[nH]3)CC2)cc1 ZINC000015865374 207065036 /nfs/dbraw/zinc/06/50/36/207065036.db2.gz ATZVJMPXIOOHLT-UHFFFAOYSA-N 1 2 377.444 2.495 50 0 GEAALO O=C(CNC(=O)c1ccc(Cl)cc1Cl)N1CCN(c2cccc[nH+]2)CC1 ZINC000016638608 207075892 /nfs/dbraw/zinc/07/58/92/207075892.db2.gz VXGQHHOCNQCKQA-UHFFFAOYSA-N 1 2 393.274 2.467 50 0 GEAALO Cc1cc(=O)[nH]c(SCC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)n1 ZINC000017117953 207085514 /nfs/dbraw/zinc/08/55/14/207085514.db2.gz COSULHHJMDBABU-VMPITWQZSA-N 1 2 384.505 2.028 50 0 GEAALO CC(C)(CNC(=O)c1cc(Cn2ccc3ccccc32)n[nH]1)[NH+]1CCOCC1 ZINC000019226248 207109073 /nfs/dbraw/zinc/10/90/73/207109073.db2.gz VFGXATVMAWBTOX-UHFFFAOYSA-N 1 2 381.480 2.253 50 0 GEAALO O=C(c1cn(Cc2ccccc2F)nn1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019740157 207157070 /nfs/dbraw/zinc/15/70/70/207157070.db2.gz SVPHSPWZENOQHL-UHFFFAOYSA-N 1 2 379.439 2.424 50 0 GEAALO O=c1nc(CN2CCOCC2)[nH]c2sc3c(c21)CC[N@@H+](Cc1ccccc1)C3 ZINC000019926513 207169550 /nfs/dbraw/zinc/16/95/50/207169550.db2.gz QRUZTQDWTCQMFN-UHFFFAOYSA-N 1 2 396.516 2.375 50 0 GEAALO O=c1nc(CN2CCOCC2)[nH]c2sc3c(c21)CC[N@H+](Cc1ccccc1)C3 ZINC000019926513 207169554 /nfs/dbraw/zinc/16/95/54/207169554.db2.gz QRUZTQDWTCQMFN-UHFFFAOYSA-N 1 2 396.516 2.375 50 0 GEAALO O=C(COc1ccc2ccccc2c1Br)NCC[NH+]1CCOCC1 ZINC000019920526 207170172 /nfs/dbraw/zinc/17/01/72/207170172.db2.gz DWUSTRUMRPAJIF-UHFFFAOYSA-N 1 2 393.281 2.430 50 0 GEAALO CCC(NCCCn1cc[nH+]c1)=C1C(=O)NC(=O)N(c2ccc(C)cc2)C1=O ZINC000020331557 207188293 /nfs/dbraw/zinc/18/82/93/207188293.db2.gz PVAXOPNTALOJRL-WUKNDPDISA-N 1 2 381.436 2.118 50 0 GEAALO C[N@@H+]1CCc2c(sc3nc(SCC(N)=O)n(-c4ccccc4)c(=O)c32)C1 ZINC000020393755 207191541 /nfs/dbraw/zinc/19/15/41/207191541.db2.gz RCPKHEQPNNYQLA-UHFFFAOYSA-N 1 2 386.502 2.013 50 0 GEAALO C[N@H+]1CCc2c(sc3nc(SCC(N)=O)n(-c4ccccc4)c(=O)c32)C1 ZINC000020393755 207191544 /nfs/dbraw/zinc/19/15/44/207191544.db2.gz RCPKHEQPNNYQLA-UHFFFAOYSA-N 1 2 386.502 2.013 50 0 GEAALO NC(=O)c1ccccc1NC(=O)CN1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000020495065 207199822 /nfs/dbraw/zinc/19/98/22/207199822.db2.gz AXWHXHDHPSCTJY-UHFFFAOYSA-N 1 2 386.883 2.195 50 0 GEAALO CCOC(=O)c1ccc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000020890673 207217721 /nfs/dbraw/zinc/21/77/21/207217721.db2.gz ZLFROCRVDQPNAY-UHFFFAOYSA-N 1 2 388.489 2.370 50 0 GEAALO COc1cccc(CN2CC[N@H+](Cc3ccc(O)c(OC)c3)C[C@@H]2CCO)c1 ZINC000020905888 207219249 /nfs/dbraw/zinc/21/92/49/207219249.db2.gz UUPCQVPMKIRNTE-IBGZPJMESA-N 1 2 386.492 2.478 50 0 GEAALO COc1cccc(CN2CC[N@@H+](Cc3ccc(O)c(OC)c3)C[C@@H]2CCO)c1 ZINC000020905888 207219253 /nfs/dbraw/zinc/21/92/53/207219253.db2.gz UUPCQVPMKIRNTE-IBGZPJMESA-N 1 2 386.492 2.478 50 0 GEAALO Cc1ccc(Nc2nc(NCC[NH+]3CCOCC3)nc3c2cnn3C)cc1C ZINC000021530278 207230965 /nfs/dbraw/zinc/23/09/65/207230965.db2.gz CPEPMGUTEOIROV-UHFFFAOYSA-N 1 2 381.484 2.468 50 0 GEAALO CC(=O)Nc1ccc(C)c(S(=O)(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000021870477 207239919 /nfs/dbraw/zinc/23/99/19/207239919.db2.gz AYRPXOBINGHNER-GASCZTMLSA-N 1 2 397.541 2.120 50 0 GEAALO CC(=O)Nc1ccc(C)c(S(=O)(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000021870477 207239923 /nfs/dbraw/zinc/23/99/23/207239923.db2.gz AYRPXOBINGHNER-GASCZTMLSA-N 1 2 397.541 2.120 50 0 GEAALO CC[NH+]1CCN(C(=O)[C@H](C)Sc2nnc(-c3cccc(OC)c3)n2C)CC1 ZINC000022137499 207248229 /nfs/dbraw/zinc/24/82/29/207248229.db2.gz YALRCSATUKWTNJ-AWEZNQCLSA-N 1 2 389.525 2.135 50 0 GEAALO O=C(CC[C@H]1Cc2ccccc2NC1=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000022321565 207252135 /nfs/dbraw/zinc/25/21/35/207252135.db2.gz GEEBGUQUXHIKKR-SFHVURJKSA-N 1 2 394.475 2.126 50 0 GEAALO c1nc2nc3c(c(NCC[NH+]4CCN(Cc5ccccc5)CC4)n2n1)CCCC3 ZINC000022666882 207259524 /nfs/dbraw/zinc/25/95/24/207259524.db2.gz OIFHRAFKTLJFPF-UHFFFAOYSA-N 1 2 391.523 2.233 50 0 GEAALO O=C(CCn1cnc2sccc2c1=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000022692052 207259987 /nfs/dbraw/zinc/25/99/87/207259987.db2.gz DJDPOPJTENTVGA-UHFFFAOYSA-N 1 2 388.518 2.254 50 0 GEAALO CN(Cc1cccs1)C(=O)CN1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000022935393 207264522 /nfs/dbraw/zinc/26/45/22/207264522.db2.gz HLSYXYRKTRHZOY-UHFFFAOYSA-N 1 2 385.533 2.459 50 0 GEAALO Cc1cccc(C(C)C)c1NC(=O)CN1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000022787331 207262099 /nfs/dbraw/zinc/26/20/99/207262099.db2.gz QXRVXVCUMDGNBZ-UHFFFAOYSA-N 1 2 386.540 2.297 50 0 GEAALO C[C@H](C(=O)N1CCC(C)CC1)[NH+]1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000022912683 207262720 /nfs/dbraw/zinc/26/27/20/207262720.db2.gz NNIXZMJHHTUUBQ-QGZVFWFLSA-N 1 2 390.503 2.029 50 0 GEAALO COCCCn1c(C[N@@H+]2CC[C@H](c3ccc(F)cc3)C2)cnc1S(C)(=O)=O ZINC000023128580 207269246 /nfs/dbraw/zinc/26/92/46/207269246.db2.gz CZBHHTGLHJYOAK-INIZCTEOSA-N 1 2 395.500 2.452 50 0 GEAALO COCCCn1c(C[N@H+]2CC[C@H](c3ccc(F)cc3)C2)cnc1S(C)(=O)=O ZINC000023128580 207269251 /nfs/dbraw/zinc/26/92/51/207269251.db2.gz CZBHHTGLHJYOAK-INIZCTEOSA-N 1 2 395.500 2.452 50 0 GEAALO Cc1ccc2[nH+]c(COC(=O)c3ccccc3CN3C(=O)CNC3=O)cn2c1 ZINC000023038578 207266840 /nfs/dbraw/zinc/26/68/40/207266840.db2.gz FTZILKPHILLNHP-UHFFFAOYSA-N 1 2 378.388 2.052 50 0 GEAALO O=C(CSc1nnnn1C1CCCC1)N1CC[NH+](Cc2cccs2)CC1 ZINC000023732208 207281259 /nfs/dbraw/zinc/28/12/59/207281259.db2.gz WAXFWLRBXHXYBJ-UHFFFAOYSA-N 1 2 392.554 2.286 50 0 GEAALO COc1ccccc1N1CC[NH+]([C@@H]2CC(=O)N(c3ccccc3C)C2=O)CC1 ZINC000025480266 207303955 /nfs/dbraw/zinc/30/39/55/207303955.db2.gz UBKUMHNBKGDRJN-LJQANCHMSA-N 1 2 379.460 2.458 50 0 GEAALO COc1ccccc1C(=O)NCC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000025515810 207304530 /nfs/dbraw/zinc/30/45/30/207304530.db2.gz CYXPCVZHFPHMKC-JXMROGBWSA-N 1 2 393.487 2.283 50 0 GEAALO COC(=O)c1cc(NC(=O)C[N@H+](Cc2ccco2)C2CC2)cc(C(=O)OC)c1 ZINC000026928187 207320535 /nfs/dbraw/zinc/32/05/35/207320535.db2.gz GRGYCJURLITAEI-UHFFFAOYSA-N 1 2 386.404 2.456 50 0 GEAALO COC(=O)c1cc(NC(=O)C[N@@H+](Cc2ccco2)C2CC2)cc(C(=O)OC)c1 ZINC000026928187 207320540 /nfs/dbraw/zinc/32/05/40/207320540.db2.gz GRGYCJURLITAEI-UHFFFAOYSA-N 1 2 386.404 2.456 50 0 GEAALO Cc1nc2ccccn2c1C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000038589093 207312233 /nfs/dbraw/zinc/31/22/33/207312233.db2.gz YFFJQIZNRFWPKP-UHFFFAOYSA-N 1 2 381.455 2.334 50 0 GEAALO O=C(NCc1ccc(N2CCOCC2)[nH+]c1)Nc1ccc2c(c1)OCCCO2 ZINC000027341583 207324912 /nfs/dbraw/zinc/32/49/12/207324912.db2.gz BLBCYJLFRCJCAL-UHFFFAOYSA-N 1 2 384.436 2.401 50 0 GEAALO COc1ccc(OCC[NH+]2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 ZINC000030569617 207372544 /nfs/dbraw/zinc/37/25/44/207372544.db2.gz HQRULKWHAYWOJU-UHFFFAOYSA-N 1 2 376.478 2.081 50 0 GEAALO COc1cc(/C=C/C(=O)NCc2ccc[nH+]c2N2CCOCC2)cc(OC)c1 ZINC000030311223 207369189 /nfs/dbraw/zinc/36/91/89/207369189.db2.gz CTZKUHOXXMIUEV-AATRIKPKSA-N 1 2 383.448 2.265 50 0 GEAALO Cc1c(Cl)cccc1S(=O)(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000032418562 207395921 /nfs/dbraw/zinc/39/59/21/207395921.db2.gz JJSSFIDIZIOWEB-UHFFFAOYSA-N 1 2 381.885 2.359 50 0 GEAALO O=c1c2cnc3c(-c4ccc(F)cc4)cnn3c2ccn1CC[NH+]1CCOCC1 ZINC000040396694 207597192 /nfs/dbraw/zinc/59/71/92/207597192.db2.gz YFNLGIOTRDBCIP-UHFFFAOYSA-N 1 2 393.422 2.183 50 0 GEAALO COCCc1noc(C[NH+]2CCC3(CC(=O)N(Cc4ccccc4)C3)CC2)n1 ZINC000072427122 208022398 /nfs/dbraw/zinc/02/23/98/208022398.db2.gz MAMALZFBKCIXQX-UHFFFAOYSA-N 1 2 384.480 2.273 50 0 GEAALO CCNC(=O)[C@@H]1C[C@@H](NC(=O)c2ccccn2)C[N@@H+]1C/C=C/c1ccccc1 ZINC000091526841 208122582 /nfs/dbraw/zinc/12/25/82/208122582.db2.gz PRQLWOCQHDWFNF-YGQKLEOUSA-N 1 2 378.476 2.104 50 0 GEAALO CCNC(=O)[C@@H]1C[C@@H](NC(=O)c2ccccn2)C[N@H+]1C/C=C/c1ccccc1 ZINC000091526841 208122588 /nfs/dbraw/zinc/12/25/88/208122588.db2.gz PRQLWOCQHDWFNF-YGQKLEOUSA-N 1 2 378.476 2.104 50 0 GEAALO Cc1cnc(CN2C[C@]3(CCC[N@H+](Cc4nnc(C5CC5)o4)C3)CCC2=O)cn1 ZINC000091603770 208125027 /nfs/dbraw/zinc/12/50/27/208125027.db2.gz XLZUHQTUNRAGDC-OAQYLSRUSA-N 1 2 396.495 2.450 50 0 GEAALO Cc1cnc(CN2C[C@]3(CCC[N@@H+](Cc4nnc(C5CC5)o4)C3)CCC2=O)cn1 ZINC000091603770 208125033 /nfs/dbraw/zinc/12/50/33/208125033.db2.gz XLZUHQTUNRAGDC-OAQYLSRUSA-N 1 2 396.495 2.450 50 0 GEAALO CCc1nc(C[N@@H+]2CCC[C@@]3(CCC(=O)N(Cc4cnc(C)cn4)C3)C2)no1 ZINC000091643326 208129415 /nfs/dbraw/zinc/12/94/15/208129415.db2.gz PZEQJKWDTPVCJP-HXUWFJFHSA-N 1 2 384.484 2.135 50 0 GEAALO CCc1nc(C[N@H+]2CCC[C@@]3(CCC(=O)N(Cc4cnc(C)cn4)C3)C2)no1 ZINC000091643326 208129422 /nfs/dbraw/zinc/12/94/22/208129422.db2.gz PZEQJKWDTPVCJP-HXUWFJFHSA-N 1 2 384.484 2.135 50 0 GEAALO CCC(=O)N1CCc2[nH]c[nH+]c2C12CCN(C(=O)c1cccc(OC)c1)CC2 ZINC000091713794 208134194 /nfs/dbraw/zinc/13/41/94/208134194.db2.gz AYKUPGLUKYSITI-UHFFFAOYSA-N 1 2 382.464 2.345 50 0 GEAALO CCN(CCc1[nH]c2ccc(OC)cc2[nH+]1)C(=O)[C@@H]1CCC(=O)N(C2CC2)C1 ZINC000091829138 208138699 /nfs/dbraw/zinc/13/86/99/208138699.db2.gz LYJFNQDGTKVXAE-CQSZACIVSA-N 1 2 384.480 2.364 50 0 GEAALO C[N@H+](CC(=O)N1CCC2(CCC(=O)N(CC3CC3)C2)CC1)Cc1ccncc1 ZINC000091304534 208115125 /nfs/dbraw/zinc/11/51/25/208115125.db2.gz NNIRSZFNSVXPCH-UHFFFAOYSA-N 1 2 384.524 2.155 50 0 GEAALO C[N@@H+](CC(=O)N1CCC2(CCC(=O)N(CC3CC3)C2)CC1)Cc1ccncc1 ZINC000091304534 208115128 /nfs/dbraw/zinc/11/51/28/208115128.db2.gz NNIRSZFNSVXPCH-UHFFFAOYSA-N 1 2 384.524 2.155 50 0 GEAALO C[NH+]1CCN([C@H]2CC[N@H+](Cc3cc(C(C)(C)C)n[nH]3)C[C@H]2CCC(=O)[O-])CC1 ZINC000095355578 208157813 /nfs/dbraw/zinc/15/78/13/208157813.db2.gz MJKYFTYVEJVCPP-AEFFLSMTSA-N 1 2 391.560 2.010 50 0 GEAALO C[NH+]1CCN([C@H]2CC[N@@H+](Cc3cc(C(C)(C)C)n[nH]3)C[C@H]2CCC(=O)[O-])CC1 ZINC000095355578 208157836 /nfs/dbraw/zinc/15/78/36/208157836.db2.gz MJKYFTYVEJVCPP-AEFFLSMTSA-N 1 2 391.560 2.010 50 0 GEAALO CCn1nc(C)c(C[N@@H+]2CCc3nc(NC)nc(C(=O)N4CCCC4)c3C2)c1C ZINC000095360664 208160205 /nfs/dbraw/zinc/16/02/05/208160205.db2.gz WVIWTNWDOQJHER-UHFFFAOYSA-N 1 2 397.527 2.146 50 0 GEAALO CCn1nc(C)c(C[N@H+]2CCc3nc(NC)nc(C(=O)N4CCCC4)c3C2)c1C ZINC000095360664 208160207 /nfs/dbraw/zinc/16/02/07/208160207.db2.gz WVIWTNWDOQJHER-UHFFFAOYSA-N 1 2 397.527 2.146 50 0 GEAALO Cc1ccc(OCC(=O)N2CCC[C@H](c3nnc(Cn4cc[nH+]c4)n3C)C2)cc1 ZINC000095360288 208161176 /nfs/dbraw/zinc/16/11/76/208161176.db2.gz CKBJGWKBDJLMID-KRWDZBQOSA-N 1 2 394.479 2.153 50 0 GEAALO O=C(c1cc2ncccn2n1)N1CCC[C@H](c2[nH+]ccn2Cc2cccnc2)C1 ZINC000095380907 208172003 /nfs/dbraw/zinc/17/20/03/208172003.db2.gz APJNETPYWDRRLX-KRWDZBQOSA-N 1 2 387.447 2.389 50 0 GEAALO NC(=O)[C@H](Cc1c[nH+]c[nH]1)N1CC(c2ccccc2)(c2ccccc2)CCC1=O ZINC000091872147 208142488 /nfs/dbraw/zinc/14/24/88/208142488.db2.gz XUIUBNGFPXSDFS-FQEVSTJZSA-N 1 2 388.471 2.415 50 0 GEAALO NC(=O)[C@H](Cc1c[nH]c[nH+]1)N1CC(c2ccccc2)(c2ccccc2)CCC1=O ZINC000091872147 208142493 /nfs/dbraw/zinc/14/24/93/208142493.db2.gz XUIUBNGFPXSDFS-FQEVSTJZSA-N 1 2 388.471 2.415 50 0 GEAALO C[C@H](C(=O)N1CCC2(CCC(=O)N(Cc3ccncc3)C2)CC1)n1cc[nH+]c1 ZINC000091998106 208147883 /nfs/dbraw/zinc/14/78/83/208147883.db2.gz LZJQZQDJHIGFSG-QGZVFWFLSA-N 1 2 381.480 2.271 50 0 GEAALO OC[C@H]1CN(Cc2c(Cl)ccc(O)c2Cl)C[C@H]1C[NH+]1CCOCC1 ZINC000092077591 208151125 /nfs/dbraw/zinc/15/11/25/208151125.db2.gz BOLHJVUYQQYFOL-CHWSQXEVSA-N 1 2 375.296 2.072 50 0 GEAALO OC[C@H]1C[N@H+](Cc2c(Cl)ccc(O)c2Cl)C[C@H]1CN1CCOCC1 ZINC000092077591 208151130 /nfs/dbraw/zinc/15/11/30/208151130.db2.gz BOLHJVUYQQYFOL-CHWSQXEVSA-N 1 2 375.296 2.072 50 0 GEAALO OC[C@H]1C[N@@H+](Cc2c(Cl)ccc(O)c2Cl)C[C@H]1CN1CCOCC1 ZINC000092077591 208151136 /nfs/dbraw/zinc/15/11/36/208151136.db2.gz BOLHJVUYQQYFOL-CHWSQXEVSA-N 1 2 375.296 2.072 50 0 GEAALO COCCn1cc[nH+]c1[C@H]1CCCN(C(=O)c2cc(CC(C)C)nc(N)n2)C1 ZINC000095505758 208208558 /nfs/dbraw/zinc/20/85/58/208208558.db2.gz BWDSSQXUSATGPP-HNNXBMFYSA-N 1 2 386.500 2.120 50 0 GEAALO O=C(CN1CCCCC1=O)N1CCC[C@@H](c2[nH+]ccn2Cc2cscn2)C1 ZINC000095510741 208209333 /nfs/dbraw/zinc/20/93/33/208209333.db2.gz KHTNNOUZICWKPH-OAHLLOKOSA-N 1 2 387.509 2.106 50 0 GEAALO Cc1[nH+]c[nH]c1CNC(=O)c1cccc(OC2CCN(C(=O)C3CC3)CC2)c1 ZINC000095508920 208209895 /nfs/dbraw/zinc/20/98/95/208209895.db2.gz UACCKWWVYXAUCB-UHFFFAOYSA-N 1 2 382.464 2.428 50 0 GEAALO O=C(Cc1ccc(F)cc1)N1CCC2(CC1)c1[nH+]c[nH]c1CCN2C(=O)C1CC1 ZINC000095509520 208210229 /nfs/dbraw/zinc/21/02/29/208210229.db2.gz HLJRFPARGGUNQZ-UHFFFAOYSA-N 1 2 396.466 2.404 50 0 GEAALO NC(=O)Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2ccc3cccc(F)c3n2)C1 ZINC000095501767 208200408 /nfs/dbraw/zinc/20/04/08/208200408.db2.gz JHXGKZBLTZGBOZ-CQSZACIVSA-N 1 2 381.411 2.076 50 0 GEAALO Cc1c2cc(C)ccc2[nH]c1C(=O)N1CCC[C@@H](c2[nH+]ccn2CC(N)=O)C1 ZINC000095500746 208201194 /nfs/dbraw/zinc/20/11/94/208201194.db2.gz ZQPOWBCVYTULFR-OAHLLOKOSA-N 1 2 379.464 2.486 50 0 GEAALO Cc1nnc(CCC(=O)N2CCC[C@H](c3[nH+]ccn3Cc3cscn3)C2)[nH]1 ZINC000095509962 208211417 /nfs/dbraw/zinc/21/14/17/208211417.db2.gz GKSZMRGQGBGMSF-AWEZNQCLSA-N 1 2 385.497 2.153 50 0 GEAALO Cc1cc(=O)c(C(=O)N2CCC[C@H](c3[nH+]ccn3Cc3cscn3)C2)c[nH]1 ZINC000095511523 208214803 /nfs/dbraw/zinc/21/48/03/208214803.db2.gz RTHLMJZEIFFBEU-AWEZNQCLSA-N 1 2 383.477 2.404 50 0 GEAALO CCc1cc(C(=O)N2CCC3(CC2)c2[nH+]c[nH]c2CCN3C(=O)C2CC2)ccn1 ZINC000095517398 208216172 /nfs/dbraw/zinc/21/61/72/208216172.db2.gz VQYIVMAEYFXXJI-UHFFFAOYSA-N 1 2 393.491 2.293 50 0 GEAALO CC(=O)N[C@H](C(=O)N1CCC(c2[nH+]ccn2Cc2ccncc2)CC1)C(C)C ZINC000095522103 208219510 /nfs/dbraw/zinc/21/95/10/208219510.db2.gz YZOXTEUXESAEFU-IBGZPJMESA-N 1 2 383.496 2.193 50 0 GEAALO COCCNc1nc2cc(C(=O)N3CCC[C@@H](c4[nH]cc[nH+]4)C3)ccc2n1C ZINC000095522299 208220931 /nfs/dbraw/zinc/22/09/31/208220931.db2.gz ZGLSWXZNHBUZNB-OAHLLOKOSA-N 1 2 382.468 2.375 50 0 GEAALO CCC(=O)N1CCc2[nH]c[nH+]c2C12CCN(C(=O)c1ncc(F)cc1F)CC2 ZINC000095530459 208229826 /nfs/dbraw/zinc/22/98/26/208229826.db2.gz SVUKYMWJBBOPCU-UHFFFAOYSA-N 1 2 389.406 2.009 50 0 GEAALO Cc1[nH]c2ccc(Cc3nc(CC(N)=O)nn3Cc3ccc(F)cc3)cc2[nH+]1 ZINC000096152264 208275915 /nfs/dbraw/zinc/27/59/15/208275915.db2.gz ICTIEAYWIYKXFJ-UHFFFAOYSA-N 1 2 378.411 2.269 50 0 GEAALO Cc1[nH]c2cc(Cc3nc(CC(N)=O)nn3Cc3ccc(F)cc3)ccc2[nH+]1 ZINC000096152264 208275917 /nfs/dbraw/zinc/27/59/17/208275917.db2.gz ICTIEAYWIYKXFJ-UHFFFAOYSA-N 1 2 378.411 2.269 50 0 GEAALO CCn1c(Cn2cc[nH+]c2)nnc1C1CCN(C(=O)c2c(C)noc2C)CC1 ZINC000096149668 208276249 /nfs/dbraw/zinc/27/62/49/208276249.db2.gz MUSTXRWWYVMKKV-UHFFFAOYSA-N 1 2 383.456 2.167 50 0 GEAALO CN(C(=O)C[N@@H+]1C[C@H]2C[NH+](C3CCCCC3)C[C@@]2(C(=O)[O-])C1)c1ccccc1 ZINC000096153162 208276606 /nfs/dbraw/zinc/27/66/06/208276606.db2.gz ORQDOUYTMFUHSZ-JTSKRJEESA-N 1 2 385.508 2.301 50 0 GEAALO CN(C(=O)C[N@H+]1C[C@H]2C[NH+](C3CCCCC3)C[C@@]2(C(=O)[O-])C1)c1ccccc1 ZINC000096153162 208276612 /nfs/dbraw/zinc/27/66/12/208276612.db2.gz ORQDOUYTMFUHSZ-JTSKRJEESA-N 1 2 385.508 2.301 50 0 GEAALO CN(C(=O)C[NH+]1C[C@H]2C[N@@H+](C3CCCCC3)C[C@@]2(C(=O)[O-])C1)c1ccccc1 ZINC000096153162 208276619 /nfs/dbraw/zinc/27/66/19/208276619.db2.gz ORQDOUYTMFUHSZ-JTSKRJEESA-N 1 2 385.508 2.301 50 0 GEAALO CN(C(=O)C[NH+]1C[C@H]2C[N@H+](C3CCCCC3)C[C@@]2(C(=O)[O-])C1)c1ccccc1 ZINC000096153162 208276623 /nfs/dbraw/zinc/27/66/23/208276623.db2.gz ORQDOUYTMFUHSZ-JTSKRJEESA-N 1 2 385.508 2.301 50 0 GEAALO CCn1c(Cn2cc[nH+]c2)nnc1C1CCN(C(=O)C2(COC)CCC2)CC1 ZINC000096131575 208265825 /nfs/dbraw/zinc/26/58/25/208265825.db2.gz OUYXFFUVMXSBOP-UHFFFAOYSA-N 1 2 386.500 2.066 50 0 GEAALO CC(=O)N1CCC[C@H]1C(=O)N1CCC(c2[nH+]ccn2Cc2ccccn2)CC1 ZINC000096132661 208266533 /nfs/dbraw/zinc/26/65/33/208266533.db2.gz XDFYYLIXDUZPCR-IBGZPJMESA-N 1 2 381.480 2.043 50 0 GEAALO C[C@@H]1[NH2+]C2(CCN(C(=O)c3ccccc3Cl)CC2)N(C[C@@H]2CCCO2)C1=O ZINC000096210931 208286992 /nfs/dbraw/zinc/28/69/92/208286992.db2.gz KCCZVDCPZXBGII-GJZGRUSLSA-N 1 2 391.899 2.272 50 0 GEAALO COC(=O)C[C@@H](c1ccc2c(c1)n(C)c(=O)n2C)c1c2[nH]s[nH+]c-2ccc1=O ZINC000096232210 208290290 /nfs/dbraw/zinc/29/02/90/208290290.db2.gz QJKVFWOMHMHFMU-NSHDSACASA-N 1 2 398.444 2.282 50 0 GEAALO Cc1nn(C)c(Oc2cccnc2)c1C[N@@H+]1CCO[C@](C)(c2cnn(C)c2)C1 ZINC000097032777 208333287 /nfs/dbraw/zinc/33/32/87/208333287.db2.gz FQCJIWSFGLUGTE-FQEVSTJZSA-N 1 2 382.468 2.397 50 0 GEAALO Cc1nn(C)c(Oc2cccnc2)c1C[N@H+]1CCO[C@](C)(c2cnn(C)c2)C1 ZINC000097032777 208333292 /nfs/dbraw/zinc/33/32/92/208333292.db2.gz FQCJIWSFGLUGTE-FQEVSTJZSA-N 1 2 382.468 2.397 50 0 GEAALO CN1C(=O)c2ccc(C(=O)N3CC[NH+](C/C=C\c4ccccc4)CC3)cc2C1=O ZINC000096536630 208319642 /nfs/dbraw/zinc/31/96/42/208319642.db2.gz HJCPIVQZSYIDAL-YVMONPNESA-N 1 2 389.455 2.384 50 0 GEAALO CCc1nnc(NC(=O)CC[N@@H+]2CCN(Cc3ccccc3)C(=O)[C@@H]2C)s1 ZINC000243901007 209022626 /nfs/dbraw/zinc/02/26/26/209022626.db2.gz AYJQKFDZVFEUOO-AWEZNQCLSA-N 1 2 387.509 2.162 50 0 GEAALO CCc1nnc(NC(=O)CC[N@H+]2CCN(Cc3ccccc3)C(=O)[C@@H]2C)s1 ZINC000243901007 209022629 /nfs/dbraw/zinc/02/26/29/209022629.db2.gz AYJQKFDZVFEUOO-AWEZNQCLSA-N 1 2 387.509 2.162 50 0 GEAALO CCCN1[NH+]=C(C)[C@@H](C)n2c3c(nc21)n(C)c(=O)n(Cc1ccccc1F)c3=O ZINC000008706204 221050404 /nfs/dbraw/zinc/05/04/04/221050404.db2.gz IQQRXTMOFZDGNZ-CYBMUJFWSA-N 1 2 398.442 2.251 50 0 GEAALO CC(=O)N1C[C@H](C(=O)NCc2ccccc2Cn2cc[nH+]c2)Oc2ccccc21 ZINC000040023584 132392471 /nfs/dbraw/zinc/39/24/71/132392471.db2.gz BJUMTJSCQJFWMI-OAQYLSRUSA-N 1 2 390.443 2.362 50 0 GEAALO O=C(CCc1cc[nH+]c(N2CCOCC2)c1)N1CCN(c2ccc(F)cc2)CC1 ZINC000065269827 136162268 /nfs/dbraw/zinc/16/22/68/136162268.db2.gz BWBQRJVWMPNZHC-UHFFFAOYSA-N 1 2 398.482 2.339 50 0 GEAALO Cc1cc(C)n(-c2cc[nH+]c(N3CCC(C(=O)NCc4ccccn4)CC3)n2)n1 ZINC000065311169 136163156 /nfs/dbraw/zinc/16/31/56/136163156.db2.gz NKZPZANZKMRRNY-UHFFFAOYSA-N 1 2 391.479 2.207 50 0 GEAALO O=C1C[C@@H](c2ccc[nH+]c2N2CCOCC2)c2c(n[nH]c2-c2ccccn2)N1 ZINC000065398174 136163793 /nfs/dbraw/zinc/16/37/93/136163793.db2.gz AYNXQORQHMOSMV-AWEZNQCLSA-N 1 2 376.420 2.177 50 0 GEAALO O=C(C[NH+]1CCC2(CC1)c1ccccc1C[C@@H]2O)N1CCOc2ccccc21 ZINC000072150090 136167034 /nfs/dbraw/zinc/16/70/34/136167034.db2.gz CVDFGBDXIJILOZ-NRFANRHFSA-N 1 2 378.472 2.363 50 0 GEAALO COc1ccc2ncc(C(=O)N3CCN(c4[nH+]cccc4C)CC3)c(O)c2c1 ZINC000077489227 136172234 /nfs/dbraw/zinc/17/22/34/136172234.db2.gz NIKOWWPMGUSYHU-UHFFFAOYSA-N 1 2 378.432 2.203 50 0 GEAALO COc1cccc(N2CCN(C(=O)[C@H](c3ccccc3F)[NH+](C)C)CC2=O)c1 ZINC000082097134 136173515 /nfs/dbraw/zinc/17/35/15/136173515.db2.gz ZJJLWJODNGATQH-FQEVSTJZSA-N 1 2 385.439 2.312 50 0 GEAALO O=S(=O)(c1ccc(N2CCN(c3cccc[nH+]3)CC2)nn1)C1CCCCC1 ZINC000085636838 136175296 /nfs/dbraw/zinc/17/52/96/136175296.db2.gz MZPDOOUXACLSTE-UHFFFAOYSA-N 1 2 387.509 2.305 50 0 GEAALO COc1cccc(C(=O)N2CCN(c3cc(-n4cccc4)nc[nH+]3)CC2)c1OC ZINC000090607813 136176064 /nfs/dbraw/zinc/17/60/64/136176064.db2.gz HRDKUBGUGQJJCU-UHFFFAOYSA-N 1 2 393.447 2.247 50 0 GEAALO CN(C)c1cc(N2CCC[C@@]3(CCC(=O)N(Cc4cccnc4)C3)C2)nc[nH+]1 ZINC000091587059 136176611 /nfs/dbraw/zinc/17/66/11/136176611.db2.gz HYXSOUMXRIBEEZ-OAQYLSRUSA-N 1 2 380.496 2.347 50 0 GEAALO CN(C)c1cc(N2CCC[C@@]3(CCC(=O)N(Cc4cccnc4)C3)C2)[nH+]cn1 ZINC000091587059 136176612 /nfs/dbraw/zinc/17/66/12/136176612.db2.gz HYXSOUMXRIBEEZ-OAQYLSRUSA-N 1 2 380.496 2.347 50 0 GEAALO NC(=O)Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2ccc(N3CCCCC3)cc2)C1 ZINC000095530776 136181989 /nfs/dbraw/zinc/18/19/89/136181989.db2.gz LSZYTODJJUICQL-GOSISDBHSA-N 1 2 395.507 2.379 50 0 GEAALO O=C(NC[C@@H]1CCCN(c2cccc[nH+]2)C1)Nc1cnc2sccn2c1=O ZINC000096149717 136184422 /nfs/dbraw/zinc/18/44/22/136184422.db2.gz ARQRPFWBPPVIAU-ZDUSSCGKSA-N 1 2 384.465 2.189 50 0 GEAALO C[C@@H]1Oc2ccc(NC(=O)N3CC[NH+](Cc4ccco4)CC3)cc2N(C)C1=O ZINC000096148390 136184600 /nfs/dbraw/zinc/18/46/00/136184600.db2.gz MONPRRLGGDUIAE-AWEZNQCLSA-N 1 2 384.436 2.373 50 0 GEAALO COc1cc(/C=C\C(=O)NCc2ccc[nH+]c2N2CCOCC2)cc(OC)c1 ZINC000097015916 136187935 /nfs/dbraw/zinc/18/79/35/136187935.db2.gz CTZKUHOXXMIUEV-WAYWQWQTSA-N 1 2 383.448 2.265 50 0 GEAALO CCOc1ccc(C(=O)N2CCCO[C@@H](C[NH+]3CCOCC3)C2)cc1Cl ZINC000299768382 209083930 /nfs/dbraw/zinc/08/39/30/209083930.db2.gz JWRTVZOUKYCTAP-INIZCTEOSA-N 1 2 382.888 2.302 50 0 GEAALO CC(C)Cc1[nH+]c2ccccc2n1[C@H](C)C(=O)N1CCN(c2nc[nH]n2)CC1 ZINC000426698490 528667441 /nfs/dbraw/zinc/66/74/41/528667441.db2.gz VKPSGYXMHGNZPZ-OAHLLOKOSA-N 1 2 381.484 2.263 50 0 GEAALO COc1ccc(N2C(=O)C[C@H]([NH+]3CCN(c4cccc(OC)c4)CC3)C2=O)cc1 ZINC000100129023 536661146 /nfs/dbraw/zinc/66/11/46/536661146.db2.gz JNTDKGSHLCDSPO-FQEVSTJZSA-N 1 2 395.459 2.158 50 0 GEAALO COc1ccc(N2C(=O)C[C@@H]([NH+]3CCN(c4ccc(F)cc4)CC3)C2=O)cc1 ZINC000100308865 536661998 /nfs/dbraw/zinc/66/19/98/536661998.db2.gz HMEPRFZFRXKMLI-LJQANCHMSA-N 1 2 383.423 2.288 50 0 GEAALO COc1cccc(N2CC[N@H+](CCC(=O)NCc3ccccc3OC)CC2=O)c1 ZINC000091626149 537123009 /nfs/dbraw/zinc/12/30/09/537123009.db2.gz QEHDMRSZPAADKB-UHFFFAOYSA-N 1 2 397.475 2.059 50 0 GEAALO COc1cccc(N2CC[N@@H+](CCC(=O)NCc3ccccc3OC)CC2=O)c1 ZINC000091626149 537123013 /nfs/dbraw/zinc/12/30/13/537123013.db2.gz QEHDMRSZPAADKB-UHFFFAOYSA-N 1 2 397.475 2.059 50 0 GEAALO Cc1cccc(O[C@@H](C)C(=O)N2CCC[N@@H+](CC(=O)NC(C)C)CC2)c1C ZINC000047854302 570215726 /nfs/dbraw/zinc/21/57/26/570215726.db2.gz MTGGRALXWNBNPV-SFHVURJKSA-N 1 2 375.513 2.130 50 0 GEAALO Cc1cccc(O[C@@H](C)C(=O)N2CCC[N@H+](CC(=O)NC(C)C)CC2)c1C ZINC000047854302 570215729 /nfs/dbraw/zinc/21/57/29/570215729.db2.gz MTGGRALXWNBNPV-SFHVURJKSA-N 1 2 375.513 2.130 50 0 GEAALO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1CC(=O)Nc1ccccc1C(=O)NC1CC1 ZINC000048368421 570247985 /nfs/dbraw/zinc/24/79/85/570247985.db2.gz AYSOVQPLCMHWBC-CCKFTAQKSA-N 1 2 399.491 2.323 50 0 GEAALO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1CC(=O)Nc1ccccc1C(=O)NC1CC1 ZINC000048368421 570247986 /nfs/dbraw/zinc/24/79/86/570247986.db2.gz AYSOVQPLCMHWBC-CCKFTAQKSA-N 1 2 399.491 2.323 50 0 GEAALO Cc1c(C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)cnn1-c1ccccc1 ZINC000010719931 570286344 /nfs/dbraw/zinc/28/63/44/570286344.db2.gz WAXCFNIRIDUNGJ-UHFFFAOYSA-N 1 2 377.448 2.342 50 0 GEAALO C[C@H](C(=O)NC1CC1)[NH+]1CCN(Cc2nc3cc(Cl)ccc3n2C)CC1 ZINC000043272962 570298415 /nfs/dbraw/zinc/29/84/15/570298415.db2.gz OCEQCYQNSSQLLM-CYBMUJFWSA-N 1 2 375.904 2.011 50 0 GEAALO CN1c2ccccc2N(C2CC[NH+](Cc3cn4ccccc4n3)CC2)S1(=O)=O ZINC000575414167 570303696 /nfs/dbraw/zinc/30/36/96/570303696.db2.gz DNYPHEFXMIADRD-UHFFFAOYSA-N 1 2 397.504 2.500 50 0 GEAALO COc1cccc(OCC[NH+]2CCN(C(=O)c3cnc4ccc(C)cn34)CC2)c1 ZINC000119961314 570306158 /nfs/dbraw/zinc/30/61/58/570306158.db2.gz JCAFQLXHYDOVFY-UHFFFAOYSA-N 1 2 394.475 2.488 50 0 GEAALO Cn1ccnc1[C@@H](O)c1cc2n(n1)CC[N@H+](CCCOc1ccc(F)cc1)C2 ZINC000219566566 570369199 /nfs/dbraw/zinc/36/91/99/570369199.db2.gz UUNBIWFFHBNDMX-IBGZPJMESA-N 1 2 385.443 2.122 50 0 GEAALO Cn1ccnc1[C@@H](O)c1cc2n(n1)CC[N@@H+](CCCOc1ccc(F)cc1)C2 ZINC000219566566 570369203 /nfs/dbraw/zinc/36/92/03/570369203.db2.gz UUNBIWFFHBNDMX-IBGZPJMESA-N 1 2 385.443 2.122 50 0 GEAALO COc1ccc(CCNC(=O)N2CCCSC[C@@H]2C[NH+]2CCOCC2)cc1 ZINC000090609193 570385147 /nfs/dbraw/zinc/38/51/47/570385147.db2.gz HPKWRHVUAZAMKW-SFHVURJKSA-N 1 2 393.553 2.087 50 0 GEAALO O=C(C1CC[NH+]([C@H]2CC(=O)N(c3ccccc3F)C2=O)CC1)N1CCCCC1 ZINC000004698507 570394610 /nfs/dbraw/zinc/39/46/10/570394610.db2.gz CIPFWAMFFLMQJY-SFHVURJKSA-N 1 2 387.455 2.182 50 0 GEAALO C[C@H](NC(=O)NCc1cc[nH+]c(N2CCOCC2)c1)c1ccc2c(c1)OCO2 ZINC000012984139 570408061 /nfs/dbraw/zinc/40/80/61/570408061.db2.gz LFDHBWISQZQGFY-AWEZNQCLSA-N 1 2 384.436 2.207 50 0 GEAALO CCc1cccc(NC(=O)c2cccc(S(=O)(=O)N3CC[NH+](C)CC3)c2)c1 ZINC000035903582 570475165 /nfs/dbraw/zinc/47/51/65/570475165.db2.gz VMFDEPQRWWBBMN-UHFFFAOYSA-N 1 2 387.505 2.437 50 0 GEAALO COC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=O)C[NH+]1CCCCCC1 ZINC000006741920 570491727 /nfs/dbraw/zinc/49/17/27/570491727.db2.gz DEBOQQMWKVBZQA-UHFFFAOYSA-N 1 2 381.498 2.359 50 0 GEAALO Cc1c2cc(Cl)c(O)cc2oc(=O)c1CC(=O)NCCCn1cc[nH+]c1 ZINC000005208120 570506512 /nfs/dbraw/zinc/50/65/12/570506512.db2.gz MABRGOQSTAZNGC-UHFFFAOYSA-N 1 2 375.812 2.406 50 0 GEAALO CC(C)C[C@H]1[NH2+]C2(CCN(C(=O)c3ccc4c(c3)OCO4)CC2)N(C2CC2)C1=O ZINC000036032610 570515940 /nfs/dbraw/zinc/51/59/40/570515940.db2.gz BMAAYMNKCIQWTJ-QGZVFWFLSA-N 1 2 399.491 2.357 50 0 GEAALO COc1cccc([C@@H](NC(=O)[C@H]2COc3ccccc3O2)c2[nH+]ccn2C)c1 ZINC000008746430 570540436 /nfs/dbraw/zinc/54/04/36/570540436.db2.gz DFTKPMDLOQOESN-RTBURBONSA-N 1 2 379.416 2.474 50 0 GEAALO COc1cc(CN2CC[NH+](CC(=O)N3CCCC3)CC2)ccc1OC(F)F ZINC000039987610 570541793 /nfs/dbraw/zinc/54/17/93/570541793.db2.gz FIKPOWDKWNQXNR-UHFFFAOYSA-N 1 2 383.439 2.037 50 0 GEAALO COc1cc(C[NH+]2CCN(CC(=O)N3CCCC3)CC2)ccc1OC(F)F ZINC000039987610 570541796 /nfs/dbraw/zinc/54/17/96/570541796.db2.gz FIKPOWDKWNQXNR-UHFFFAOYSA-N 1 2 383.439 2.037 50 0 GEAALO CC(=O)c1ccc(NC(=O)[C@@H](C)NC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000071328809 570547132 /nfs/dbraw/zinc/54/71/32/570547132.db2.gz KQYNCCXCEIKZLA-OAHLLOKOSA-N 1 2 395.463 2.143 50 0 GEAALO C[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)c3cccc(F)c3)cc2)CC1 ZINC000035800828 570557923 /nfs/dbraw/zinc/55/79/23/570557923.db2.gz SDKGIYQWBUPRQP-UHFFFAOYSA-N 1 2 377.441 2.014 50 0 GEAALO Cc1nc2cc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)ccc2n(C)c1=O ZINC000064858803 570568063 /nfs/dbraw/zinc/56/80/63/570568063.db2.gz FEUAIOSWKVMHGK-UHFFFAOYSA-N 1 2 376.460 2.200 50 0 GEAALO C[C@H](Oc1ccccc1)C(=O)N1CCN(c2cc(N3CCCC3)[nH+]cn2)CC1 ZINC000038528270 570579678 /nfs/dbraw/zinc/57/96/78/570579678.db2.gz WOLYJNGOKHTHBT-KRWDZBQOSA-N 1 2 381.480 2.193 50 0 GEAALO C[C@H](Oc1ccccc1)C(=O)N1CCN(c2cc(N3CCCC3)nc[nH+]2)CC1 ZINC000038528270 570579681 /nfs/dbraw/zinc/57/96/81/570579681.db2.gz WOLYJNGOKHTHBT-KRWDZBQOSA-N 1 2 381.480 2.193 50 0 GEAALO COc1cccc(C(=O)N2CCN(c3cc(N4CCCCC4)[nH+]cn3)CC2)c1 ZINC000038528412 570580369 /nfs/dbraw/zinc/58/03/69/570580369.db2.gz TZQISOGTKCMGJE-UHFFFAOYSA-N 1 2 381.480 2.438 50 0 GEAALO COc1cccc(C(=O)N2CCN(c3cc(N4CCCCC4)nc[nH+]3)CC2)c1 ZINC000038528412 570580373 /nfs/dbraw/zinc/58/03/73/570580373.db2.gz TZQISOGTKCMGJE-UHFFFAOYSA-N 1 2 381.480 2.438 50 0 GEAALO CC(=O)N1CCN(c2[nH+]cccc2CNC(=O)c2ccc(Cl)s2)CC1 ZINC000011879752 570590996 /nfs/dbraw/zinc/59/09/96/570590996.db2.gz DXOQNDNNXFYIPL-UHFFFAOYSA-N 1 2 378.885 2.395 50 0 GEAALO O=S1(=O)CC[C@@H]([N@@H+](Cc2cccc(F)c2)C[C@@H](O)COc2ccccc2)C1 ZINC000012409539 570663314 /nfs/dbraw/zinc/66/33/14/570663314.db2.gz VUGPSJAOWQXUAT-RTBURBONSA-N 1 2 393.480 2.255 50 0 GEAALO O=S1(=O)CC[C@@H]([N@H+](Cc2cccc(F)c2)C[C@@H](O)COc2ccccc2)C1 ZINC000012409539 570663317 /nfs/dbraw/zinc/66/33/17/570663317.db2.gz VUGPSJAOWQXUAT-RTBURBONSA-N 1 2 393.480 2.255 50 0 GEAALO CCO[C@@H](C)c1noc(CN2CCC[N@@H+]([C@@H](C)c3nc(CC)no3)CC2)n1 ZINC000229838920 570666854 /nfs/dbraw/zinc/66/68/54/570666854.db2.gz IXFDWYCMTFTOTC-KBPBESRZSA-N 1 2 378.477 2.381 50 0 GEAALO CCO[C@@H](C)c1noc(CN2CCC[N@H+]([C@@H](C)c3nc(CC)no3)CC2)n1 ZINC000229838920 570666857 /nfs/dbraw/zinc/66/68/57/570666857.db2.gz IXFDWYCMTFTOTC-KBPBESRZSA-N 1 2 378.477 2.381 50 0 GEAALO COc1ccc(CNC(=O)CN2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)cc1 ZINC000012791131 570714204 /nfs/dbraw/zinc/71/42/04/570714204.db2.gz AHXOWQPUXKRSNH-UHFFFAOYSA-N 1 2 397.523 2.355 50 0 GEAALO Cc1cc(N2CCN(CC(=O)NCc3ccccc3F)CC2)nc(C(C)C)[nH+]1 ZINC000012792179 570714234 /nfs/dbraw/zinc/71/42/34/570714234.db2.gz KZSZHSSXELIMMY-UHFFFAOYSA-N 1 2 385.487 2.486 50 0 GEAALO COc1ccc(C[N@H+](C)CN2C(=O)C(=O)N(Cc3ccccc3)C2=O)cc1F ZINC000012799118 570717071 /nfs/dbraw/zinc/71/70/71/570717071.db2.gz HPVDIIJUKRAKRX-UHFFFAOYSA-N 1 2 385.395 2.215 50 0 GEAALO COc1ccc(C[N@@H+](C)CN2C(=O)C(=O)N(Cc3ccccc3)C2=O)cc1F ZINC000012799118 570717074 /nfs/dbraw/zinc/71/70/74/570717074.db2.gz HPVDIIJUKRAKRX-UHFFFAOYSA-N 1 2 385.395 2.215 50 0 GEAALO COc1cc(OC)nc(NC(=O)C[NH+]2CCC(c3nc4ccccc4o3)CC2)n1 ZINC000012971763 570733144 /nfs/dbraw/zinc/73/31/44/570733144.db2.gz DBVMUWCZCOHBBU-UHFFFAOYSA-N 1 2 397.435 2.453 50 0 GEAALO O=S(=O)(NCc1ccc(C[NH+]2CCOCC2)cc1)c1cc(F)ccc1F ZINC000012993021 570738554 /nfs/dbraw/zinc/73/85/54/570738554.db2.gz UKUQEOAAJNKPHY-UHFFFAOYSA-N 1 2 382.432 2.276 50 0 GEAALO O=C(NC1CCN(C(=O)c2ccc(-n3cc[nH+]c3)nc2)CC1)c1ccc(F)cc1 ZINC000025216840 570741303 /nfs/dbraw/zinc/74/13/03/570741303.db2.gz JCEJNAMQCDMPCN-UHFFFAOYSA-N 1 2 393.422 2.441 50 0 GEAALO C[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)CCc3ccccc3)cc2)CC1 ZINC000013013051 570741986 /nfs/dbraw/zinc/74/19/86/570741986.db2.gz JTSFDPJPXBVWCJ-UHFFFAOYSA-N 1 2 387.505 2.194 50 0 GEAALO O=c1c2cc(-c3ccc(F)cc3)nn2ccn1Cc1noc(C[NH+]2CCCC2)n1 ZINC000065235893 570743637 /nfs/dbraw/zinc/74/36/37/570743637.db2.gz KDNFWQFCIKDOAD-UHFFFAOYSA-N 1 2 394.410 2.329 50 0 GEAALO Cc1cc2ncc(C(=O)N[C@@H](C[NH+]3CCOCC3)c3ccccc3)c(C)n2n1 ZINC000025387496 570749322 /nfs/dbraw/zinc/74/93/22/570749322.db2.gz DYLXIIRCAZQQAM-IBGZPJMESA-N 1 2 379.464 2.149 50 0 GEAALO CC1=C(C(=O)NCc2cccc(C(F)(F)F)c2)[C@H](c2c[nH+]c[nH]2)NC(=O)N1 ZINC000065383328 570763610 /nfs/dbraw/zinc/76/36/10/570763610.db2.gz ZUWGUFDVXXCBJK-AWEZNQCLSA-N 1 2 379.342 2.373 50 0 GEAALO CC1=C(C(=O)NCc2cccc(C(F)(F)F)c2)[C@H](c2c[nH]c[nH+]2)NC(=O)N1 ZINC000065383328 570763613 /nfs/dbraw/zinc/76/36/13/570763613.db2.gz ZUWGUFDVXXCBJK-AWEZNQCLSA-N 1 2 379.342 2.373 50 0 GEAALO O=C(CC[C@H]1CCCN(c2ncccn2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000013636689 570765289 /nfs/dbraw/zinc/76/52/89/570765289.db2.gz UCVQZMSQCWVVEB-GOSISDBHSA-N 1 2 380.496 2.217 50 0 GEAALO O=C(c1cc2n(n1)CCC[N@H+](Cc1ccccc1)C2)N1CC(n2cccn2)C1 ZINC000065465553 570769979 /nfs/dbraw/zinc/76/99/79/570769979.db2.gz VNHBWJAVGFIPMS-UHFFFAOYSA-N 1 2 376.464 2.183 50 0 GEAALO O=C(c1cc2n(n1)CCC[N@@H+](Cc1ccccc1)C2)N1CC(n2cccn2)C1 ZINC000065465553 570769988 /nfs/dbraw/zinc/76/99/88/570769988.db2.gz VNHBWJAVGFIPMS-UHFFFAOYSA-N 1 2 376.464 2.183 50 0 GEAALO Cc1ccccc1N(C)S(=O)(=O)c1cccc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000067339037 570779350 /nfs/dbraw/zinc/77/93/50/570779350.db2.gz FBRFIYXGEQHVSK-UHFFFAOYSA-N 1 2 387.505 2.208 50 0 GEAALO Cc1nc(Nc2ccc(NC(=O)[C@@H]3CCCO3)cc2)cc(N2CCOCC2)[nH+]1 ZINC000067601802 570782506 /nfs/dbraw/zinc/78/25/06/570782506.db2.gz RBJFVVTYWYUGHH-KRWDZBQOSA-N 1 2 383.452 2.483 50 0 GEAALO Cc1ccc(C[N@@H+]2CCNC(=O)[C@H]2Cc2nnc(CCc3ccccc3)[nH]2)cc1 ZINC000067713952 570787910 /nfs/dbraw/zinc/78/79/10/570787910.db2.gz CYSPUMYFBQJLCW-HXUWFJFHSA-N 1 2 389.503 2.441 50 0 GEAALO Cc1ccc(C[N@H+]2CCNC(=O)[C@H]2Cc2nnc(CCc3ccccc3)[nH]2)cc1 ZINC000067713952 570787913 /nfs/dbraw/zinc/78/79/13/570787913.db2.gz CYSPUMYFBQJLCW-HXUWFJFHSA-N 1 2 389.503 2.441 50 0 GEAALO O=S(=O)(c1ccccc1Cl)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000007285910 570824897 /nfs/dbraw/zinc/82/48/97/570824897.db2.gz NUXOSMUKRRNSNX-UHFFFAOYSA-N 1 2 390.896 2.494 50 0 GEAALO CCN1C[C@H](C[N@H+](C)CN2C(=O)NC3(CCCCC3)C2=O)Oc2ccccc21 ZINC000012543966 570844144 /nfs/dbraw/zinc/84/41/44/570844144.db2.gz IUJXZHOTRBJYOY-INIZCTEOSA-N 1 2 386.496 2.418 50 0 GEAALO CCN1C[C@H](C[N@@H+](C)CN2C(=O)NC3(CCCCC3)C2=O)Oc2ccccc21 ZINC000012543966 570844147 /nfs/dbraw/zinc/84/41/47/570844147.db2.gz IUJXZHOTRBJYOY-INIZCTEOSA-N 1 2 386.496 2.418 50 0 GEAALO COc1ccc(N(CCC(N)=O)C(=O)CSc2[nH+]cc3ccccn32)cc1 ZINC000012547774 570849272 /nfs/dbraw/zinc/84/92/72/570849272.db2.gz ARQKEYWITOYBHF-UHFFFAOYSA-N 1 2 384.461 2.344 50 0 GEAALO Cn1cc[nH+]c1[C@H](NC(=O)CNC(=O)c1ccccc1F)c1ccccc1F ZINC000032842340 570851118 /nfs/dbraw/zinc/85/11/18/570851118.db2.gz SYNCMRKXKJFTBA-GOSISDBHSA-N 1 2 384.386 2.334 50 0 GEAALO Cc1cc2ncnn2c(N2CC[NH+](CC(=O)Nc3cccc(C)c3C)CC2)c1 ZINC000032853455 570854496 /nfs/dbraw/zinc/85/44/96/570854496.db2.gz ZCJJVASAIYEWRG-UHFFFAOYSA-N 1 2 378.480 2.415 50 0 GEAALO COC(=O)N1CC[NH+](CCNC(=O)Cc2ccc(SC(C)C)cc2)CC1 ZINC000044227041 570872115 /nfs/dbraw/zinc/87/21/15/570872115.db2.gz LZINIMOGBIMJRW-UHFFFAOYSA-N 1 2 379.526 2.230 50 0 GEAALO CC(=O)N1C[C@@H](C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)Oc2ccccc21 ZINC000032902295 570898145 /nfs/dbraw/zinc/89/81/45/570898145.db2.gz YPZZGEXLBLPSCZ-KRWDZBQOSA-N 1 2 384.823 2.418 50 0 GEAALO O=C(C[NH+]1CCC(NC(=O)[C@@H]2COc3ccccc3O2)CC1)Nc1ccccc1 ZINC000012736930 570979478 /nfs/dbraw/zinc/97/94/78/570979478.db2.gz KEGWQWHFEDGCQG-FQEVSTJZSA-N 1 2 395.459 2.046 50 0 GEAALO O=C(NCc1cccnc1-n1cc[nH+]c1)N1CCN(c2ccccc2O)CC1 ZINC000046099153 570985739 /nfs/dbraw/zinc/98/57/39/570985739.db2.gz RYYZJCNHBXWDOL-UHFFFAOYSA-N 1 2 378.436 2.005 50 0 GEAALO CCS(=O)(=O)N1CCc2c(cccc2NC(=O)C[NH+]2Cc3ccccc3C2)C1 ZINC000084811568 571039823 /nfs/dbraw/zinc/03/98/23/571039823.db2.gz ZUJIBUYSOCXHJX-UHFFFAOYSA-N 1 2 399.516 2.349 50 0 GEAALO Cn1ncc2c1nc[nH+]c2SCCC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000011495097 571049032 /nfs/dbraw/zinc/04/90/32/571049032.db2.gz YGJMHLPALREEPJ-UHFFFAOYSA-N 1 2 398.492 2.321 50 0 GEAALO Cc1ccc2[nH+]c(CSc3nnc(C[C@H]4CCS(=O)(=O)C4)o3)cn2c1 ZINC000039996307 642519836 /nfs/dbraw/zinc/51/98/36/642519836.db2.gz GXUQMFUPCUIVEJ-GFCCVEGCSA-N 1 2 378.479 2.295 50 0 GEAALO O=C(NCc1cc(Br)c2c(c1)OCCO2)[C@@H]1CCn2c[nH+]cc2C1 ZINC000095972829 643089503 /nfs/dbraw/zinc/08/95/03/643089503.db2.gz WERCBIKPUHHBLQ-GFCCVEGCSA-N 1 2 392.253 2.296 50 0 GEAALO Cc1cccc2[nH+]c(CNC(=O)N3CCC([C@H](O)c4nccn4C)CC3)cn21 ZINC000158699344 231026602 /nfs/dbraw/zinc/02/66/02/231026602.db2.gz DBKRNXRSHVAKMG-SFHVURJKSA-N 1 2 382.468 2.031 50 0 GEAALO CCCOc1ccc(Br)cc1[C@H]1C(C(N)=O)=C(C)[NH+]=C2N=CNN21 ZINC000004368725 531513649 /nfs/dbraw/zinc/51/36/49/531513649.db2.gz AYMKLTMUJDVVJJ-AWEZNQCLSA-N 1 2 392.257 2.256 50 0 GEAALO CC[N@H+](CC(=O)NC(C)C)CC(=O)N[C@H](C)c1ccc(Br)cc1 ZINC000008718958 531546648 /nfs/dbraw/zinc/54/66/48/531546648.db2.gz TWGDTSAZDXGWLQ-CYBMUJFWSA-N 1 2 384.318 2.473 50 0 GEAALO CC[N@@H+](CC(=O)NC(C)C)CC(=O)N[C@H](C)c1ccc(Br)cc1 ZINC000008718958 531546658 /nfs/dbraw/zinc/54/66/58/531546658.db2.gz TWGDTSAZDXGWLQ-CYBMUJFWSA-N 1 2 384.318 2.473 50 0 GEAALO CCC[N@H+](CC(=O)Nc1ccc(Cl)cc1Cl)CC(=O)N1CCNC1=O ZINC000009388655 531550992 /nfs/dbraw/zinc/55/09/92/531550992.db2.gz JMBKVYRGCNGSQP-UHFFFAOYSA-N 1 2 387.267 2.196 50 0 GEAALO CCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1Cl)CC(=O)N1CCNC1=O ZINC000009388655 531550999 /nfs/dbraw/zinc/55/09/99/531550999.db2.gz JMBKVYRGCNGSQP-UHFFFAOYSA-N 1 2 387.267 2.196 50 0 GEAALO Brc1cc2c(cc1C[NH+]1CCN(c3ncccn3)CC1)OCCO2 ZINC000021365112 531587399 /nfs/dbraw/zinc/58/73/99/531587399.db2.gz SEAFUTQHFZFYBI-UHFFFAOYSA-N 1 2 391.269 2.333 50 0 GEAALO O=S(=O)(NCCC[NH+]1CCOCC1)c1ccc(Br)cc1Cl ZINC000023425029 531598785 /nfs/dbraw/zinc/59/87/85/531598785.db2.gz FFFMEIBDHYFVPV-UHFFFAOYSA-N 1 2 397.722 2.103 50 0 GEAALO Cn1ncc(Br)c1C[N@@H+]1CCC[C@H](C(=O)NCC(F)(F)F)C1 ZINC000225623641 532487453 /nfs/dbraw/zinc/48/74/53/532487453.db2.gz NPWREPAKPBIVPH-VIFPVBQESA-N 1 2 383.212 2.073 50 0 GEAALO Cn1ncc(Br)c1C[N@H+]1CCC[C@H](C(=O)NCC(F)(F)F)C1 ZINC000225623641 532487460 /nfs/dbraw/zinc/48/74/60/532487460.db2.gz NPWREPAKPBIVPH-VIFPVBQESA-N 1 2 383.212 2.073 50 0 GEAALO CC1=C(C(N)=O)[C@H](c2ccc(Br)cc2)N2NC(C(C)C)=[NH+]C2=N1 ZINC000390834814 532706359 /nfs/dbraw/zinc/70/63/59/532706359.db2.gz CNWQSMFTXHMHSM-ZDUSSCGKSA-N 1 2 376.258 2.494 50 0 GEAALO O=C(Nc1ccccc1Br)C1CN(c2cc(-n3cc[nH+]c3)ncn2)C1 ZINC000390828798 532706952 /nfs/dbraw/zinc/70/69/52/532706952.db2.gz UMKRZEVVLRKDBC-UHFFFAOYSA-N 1 2 399.252 2.500 50 0 GEAALO Cc1nnc([C@H]2CCC[N@@H+](Cc3csc(-c4c(C)c(C)nn(C)c4=O)n3)C2)[nH]1 ZINC000095966303 206298811 /nfs/dbraw/zinc/29/88/11/206298811.db2.gz KJMGMVVZIADPSU-AWEZNQCLSA-N 1 2 399.524 2.327 50 0 GEAALO Cc1nnc([C@H]2CCC[N@H+](Cc3csc(-c4c(C)c(C)nn(C)c4=O)n3)C2)[nH]1 ZINC000095966303 206298815 /nfs/dbraw/zinc/29/88/15/206298815.db2.gz KJMGMVVZIADPSU-AWEZNQCLSA-N 1 2 399.524 2.327 50 0 GEAALO Cc1n[nH]c([C@H]2CCC[N@@H+](Cc3csc(-c4c(C)c(C)nn(C)c4=O)n3)C2)n1 ZINC000095966303 206298820 /nfs/dbraw/zinc/29/88/20/206298820.db2.gz KJMGMVVZIADPSU-AWEZNQCLSA-N 1 2 399.524 2.327 50 0 GEAALO Cc1n[nH]c([C@H]2CCC[N@H+](Cc3csc(-c4c(C)c(C)nn(C)c4=O)n3)C2)n1 ZINC000095966303 206298822 /nfs/dbraw/zinc/29/88/22/206298822.db2.gz KJMGMVVZIADPSU-AWEZNQCLSA-N 1 2 399.524 2.327 50 0 GEAALO Cc1ccc(C2=NC3(CC[NH+](CC(=O)Nc4ccccc4)CC3)NC2=O)cc1 ZINC000009526738 206332340 /nfs/dbraw/zinc/33/23/40/206332340.db2.gz JHSFIJQINKCAFN-UHFFFAOYSA-N 1 2 376.460 2.345 50 0 GEAALO CCOC(=O)c1nn(CCO)c2c1C[N@H+](Cc1cn(C)c3ccccc13)CC2 ZINC000014534772 207023489 /nfs/dbraw/zinc/02/34/89/207023489.db2.gz MLIWVNCAPCVQGO-UHFFFAOYSA-N 1 2 382.464 2.102 50 0 GEAALO CCOC(=O)c1nn(CCO)c2c1C[N@@H+](Cc1cn(C)c3ccccc13)CC2 ZINC000014534772 207023494 /nfs/dbraw/zinc/02/34/94/207023494.db2.gz MLIWVNCAPCVQGO-UHFFFAOYSA-N 1 2 382.464 2.102 50 0 GEAALO C[NH+]1CCN(S(=O)(=O)c2cccc(C(=O)Nc3ccc(F)c(F)c3)c2)CC1 ZINC000015011698 207040761 /nfs/dbraw/zinc/04/07/61/207040761.db2.gz YIKAWGOLFNRDFF-UHFFFAOYSA-N 1 2 395.431 2.153 50 0 GEAALO Cc1nn(-c2ccc(C)cc2)c(-n2cccc2)c1C(=O)NCC[NH+]1CCOCC1 ZINC000015681482 207055420 /nfs/dbraw/zinc/05/54/20/207055420.db2.gz USEGCKYMJIQTLW-UHFFFAOYSA-N 1 2 393.491 2.342 50 0 GEAALO Cc1ccc(C(=O)NCC(=O)N[C@@H](C[NH+]2CCOCC2)c2ccc(C)cc2)cc1 ZINC000016786847 207079315 /nfs/dbraw/zinc/07/93/15/207079315.db2.gz CKDAYOPRVMTFFB-NRFANRHFSA-N 1 2 395.503 2.223 50 0 GEAALO COc1cccc(N2CC[NH+]([C@H]3CC(=O)N(c4ccc(F)cc4)C3=O)CC2)c1 ZINC000018324170 207098038 /nfs/dbraw/zinc/09/80/38/207098038.db2.gz IQZPBBHRWUUQEY-IBGZPJMESA-N 1 2 383.423 2.288 50 0 GEAALO COc1ccc(C(=O)N2CC[NH+](C[C@@H](O)COc3cccc(C)c3)CC2)cc1 ZINC000019229493 207109698 /nfs/dbraw/zinc/10/96/98/207109698.db2.gz PPQNTEUKCTXITF-LJQANCHMSA-N 1 2 384.476 2.201 50 0 GEAALO C[NH+]1CCN(C(=O)c2cc3c(n(-c4ccc(Cl)cc4)c2=O)CCCC3=O)CC1 ZINC000019589794 207141950 /nfs/dbraw/zinc/14/19/50/207141950.db2.gz LCDRGNWCKQNJPA-UHFFFAOYSA-N 1 2 399.878 2.398 50 0 GEAALO O=C(C1CCOCC1)N1CCC2(CC1)c1ccccc1[C@@H](n1cc[nH+]c1)[C@@H]2O ZINC000019595635 207143452 /nfs/dbraw/zinc/14/34/52/207143452.db2.gz XHVRFQZAMBOHEO-UXHICEINSA-N 1 2 381.476 2.134 50 0 GEAALO CC[C@@H](C)C(=O)NCc1nnc2n1CC[N@@H+](Cc1ccc(F)cc1F)CC2 ZINC000019740232 207156951 /nfs/dbraw/zinc/15/69/51/207156951.db2.gz OFALFCKUIISUQR-CYBMUJFWSA-N 1 2 377.439 2.277 50 0 GEAALO CC[C@@H](C)C(=O)NCc1nnc2n1CC[N@H+](Cc1ccc(F)cc1F)CC2 ZINC000019740232 207156955 /nfs/dbraw/zinc/15/69/55/207156955.db2.gz OFALFCKUIISUQR-CYBMUJFWSA-N 1 2 377.439 2.277 50 0 GEAALO Cc1cc(CN2CCC[C@@H]([NH+]3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)n[nH]1 ZINC000019743946 207157514 /nfs/dbraw/zinc/15/75/14/207157514.db2.gz AGZBKQVVVOCVPZ-HXUWFJFHSA-N 1 2 397.523 2.229 50 0 GEAALO O=S(=O)(c1ccc(F)cc1F)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000019880198 207167597 /nfs/dbraw/zinc/16/75/97/207167597.db2.gz SSTGFISRQDCSQV-UHFFFAOYSA-N 1 2 382.432 2.350 50 0 GEAALO CCOC(=O)c1sc(NC(=O)CC[NH+]2CCOCC2)c(C(=O)OCC)c1C ZINC000019790512 207161780 /nfs/dbraw/zinc/16/17/80/207161780.db2.gz JBRXHPFGOBXNQI-UHFFFAOYSA-N 1 2 398.481 2.071 50 0 GEAALO Cc1ccn([C@H](C(=O)c2cccc(Cl)c2)C(=O)N2CC[NH+](C)CC2)c(=O)c1 ZINC000019840728 207165678 /nfs/dbraw/zinc/16/56/78/207165678.db2.gz VOVFNNHOVVFUPE-GOSISDBHSA-N 1 2 387.867 2.008 50 0 GEAALO CNC(=O)[C@@H]1C[C@H](NCc2c(F)cccc2F)C[N@@H+]1C1Cc2ccccc2C1 ZINC000019954140 207172862 /nfs/dbraw/zinc/17/28/62/207172862.db2.gz AEGUVVRRGWTCAD-KKSFZXQISA-N 1 2 385.458 2.411 50 0 GEAALO CNC(=O)[C@@H]1C[C@H](NCc2c(F)cccc2F)C[N@H+]1C1Cc2ccccc2C1 ZINC000019954140 207172865 /nfs/dbraw/zinc/17/28/65/207172865.db2.gz AEGUVVRRGWTCAD-KKSFZXQISA-N 1 2 385.458 2.411 50 0 GEAALO CCn1cc(C[N@@H+]2CCN(Cc3ccc(OC)cc3F)[C@@H](CCO)C2)cn1 ZINC000020915632 207219089 /nfs/dbraw/zinc/21/90/89/207219089.db2.gz QIPKKKSLVFBLEZ-SFHVURJKSA-N 1 2 376.476 2.120 50 0 GEAALO CCn1cc(C[N@H+]2CCN(Cc3ccc(OC)cc3F)[C@@H](CCO)C2)cn1 ZINC000020915632 207219090 /nfs/dbraw/zinc/21/90/90/207219090.db2.gz QIPKKKSLVFBLEZ-SFHVURJKSA-N 1 2 376.476 2.120 50 0 GEAALO CCn1cc(CN2CC[N@H+](Cc3ccc(OC)cc3F)[C@@H](CCO)C2)cn1 ZINC000020915632 207219095 /nfs/dbraw/zinc/21/90/95/207219095.db2.gz QIPKKKSLVFBLEZ-SFHVURJKSA-N 1 2 376.476 2.120 50 0 GEAALO CCn1cc(CN2CC[N@@H+](Cc3ccc(OC)cc3F)[C@@H](CCO)C2)cn1 ZINC000020915632 207219098 /nfs/dbraw/zinc/21/90/98/207219098.db2.gz QIPKKKSLVFBLEZ-SFHVURJKSA-N 1 2 376.476 2.120 50 0 GEAALO O=C([C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000020727427 207212090 /nfs/dbraw/zinc/21/20/90/207212090.db2.gz CHDCJDKQEYKCCP-OAHLLOKOSA-N 1 2 384.867 2.437 50 0 GEAALO O=C(CN1c2ccccc2Sc2ncccc2C1=O)NCCc1c[nH+]c[nH]1 ZINC000021163458 207227129 /nfs/dbraw/zinc/22/71/29/207227129.db2.gz GOUIECYPZUZTHL-UHFFFAOYSA-N 1 2 379.445 2.275 50 0 GEAALO O=C(CN1c2ccccc2Sc2ncccc2C1=O)NCCc1c[nH]c[nH+]1 ZINC000021163458 207227133 /nfs/dbraw/zinc/22/71/33/207227133.db2.gz GOUIECYPZUZTHL-UHFFFAOYSA-N 1 2 379.445 2.275 50 0 GEAALO COc1cccc(C[N@@H+]2CCN(Cc3cccc(C)n3)[C@@H](CCO)C2)c1OC ZINC000022913798 207264091 /nfs/dbraw/zinc/26/40/91/207264091.db2.gz QLAJYEBXDJUBQL-FQEVSTJZSA-N 1 2 385.508 2.476 50 0 GEAALO COc1cccc(C[N@H+]2CCN(Cc3cccc(C)n3)[C@@H](CCO)C2)c1OC ZINC000022913798 207264096 /nfs/dbraw/zinc/26/40/96/207264096.db2.gz QLAJYEBXDJUBQL-FQEVSTJZSA-N 1 2 385.508 2.476 50 0 GEAALO COc1ccccc1NC(=O)CN1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000022805315 207261473 /nfs/dbraw/zinc/26/14/73/207261473.db2.gz NVEGVWUUJIMRRY-UHFFFAOYSA-N 1 2 381.476 2.386 50 0 GEAALO COc1ccc(C[NH+]2CCN([C@@H](C)C(=O)NCC(F)(F)F)CC2)cc1F ZINC000022781221 207261825 /nfs/dbraw/zinc/26/18/25/207261825.db2.gz OUCODBRGWQWKIZ-LBPRGKRZSA-N 1 2 377.382 2.019 50 0 GEAALO C[C@@H](c1nc2ccccc2c(=O)[nH]1)N1CC[NH+](CC(=O)N2CCCCCC2)CC1 ZINC000022800307 207262067 /nfs/dbraw/zinc/26/20/67/207262067.db2.gz FDCDPQQBURFWJF-KRWDZBQOSA-N 1 2 397.523 2.004 50 0 GEAALO O=C(NCc1cn2ccccc2[nH+]1)c1cccc(S(=O)(=O)NC2CCCC2)c1 ZINC000023082802 207269023 /nfs/dbraw/zinc/26/90/23/207269023.db2.gz FIQZZUATBQBELN-UHFFFAOYSA-N 1 2 398.488 2.485 50 0 GEAALO CCc1ccccc1NC(=O)CN1CC[NH+](CC(=O)N2CCCCCC2)CC1 ZINC000023298587 207272303 /nfs/dbraw/zinc/27/23/03/207272303.db2.gz JLNIQRUMZZOBJR-UHFFFAOYSA-N 1 2 386.540 2.208 50 0 GEAALO C[NH+](C)Cc1cn(C2CCN(C(=O)[C@H]3Cc4cc(Cl)ccc4N3)CC2)nn1 ZINC000023338992 207275508 /nfs/dbraw/zinc/27/55/08/207275508.db2.gz SWWZSWMPPQYTDO-GOSISDBHSA-N 1 2 388.903 2.193 50 0 GEAALO C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)N1CC[NH+](CC(=O)NC2CC2)CC1 ZINC000022931870 207264668 /nfs/dbraw/zinc/26/46/68/207264668.db2.gz VRWBSFIABRTCDU-LBPRGKRZSA-N 1 2 399.322 2.217 50 0 GEAALO Cc1ccc(NC(=O)CN2CC[NH+]([C@@H](C)C(=O)NCc3ccccc3)CC2)cc1 ZINC000022916672 207264920 /nfs/dbraw/zinc/26/49/20/207264920.db2.gz NBXTZKPCKMXHCR-IBGZPJMESA-N 1 2 394.519 2.256 50 0 GEAALO C[C@H](C(=O)Nc1ccccc1F)N1CC[NH+](CC(=O)N2CCCCCC2)CC1 ZINC000022930345 207265450 /nfs/dbraw/zinc/26/54/50/207265450.db2.gz VQNNAROBVCLZFE-QGZVFWFLSA-N 1 2 390.503 2.173 50 0 GEAALO C[C@@H](C(=O)N1CCCCCC1)[NH+]1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000022915398 207265841 /nfs/dbraw/zinc/26/58/41/207265841.db2.gz DYVGFQRKRQUEHN-KRWDZBQOSA-N 1 2 390.503 2.173 50 0 GEAALO O=C1NC(Cc2ccccc2)(Cc2ccccc2)C(=O)N1C[N@H+]1CCC[C@@H](O)C1 ZINC000023763319 207282797 /nfs/dbraw/zinc/28/27/97/207282797.db2.gz HZQNZGPVXNYLFZ-HXUWFJFHSA-N 1 2 393.487 2.177 50 0 GEAALO O=C1NC(Cc2ccccc2)(Cc2ccccc2)C(=O)N1C[N@@H+]1CCC[C@@H](O)C1 ZINC000023763319 207282802 /nfs/dbraw/zinc/28/28/02/207282802.db2.gz HZQNZGPVXNYLFZ-HXUWFJFHSA-N 1 2 393.487 2.177 50 0 GEAALO CCOc1ccc(S(=O)(=O)N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)cc1 ZINC000023466415 207277970 /nfs/dbraw/zinc/27/79/70/207277970.db2.gz ZIVMIODCRRJSCV-HXUWFJFHSA-N 1 2 390.505 2.125 50 0 GEAALO Cc1ccnn1-c1ccc(C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)cc1 ZINC000025290771 207302438 /nfs/dbraw/zinc/30/24/38/207302438.db2.gz JEVOTTXXHVTNJJ-UHFFFAOYSA-N 1 2 377.448 2.342 50 0 GEAALO O=C(NCc1cn2ccccc2[nH+]1)c1sccc1S(=O)(=O)N1CCCC1 ZINC000025323969 207302445 /nfs/dbraw/zinc/30/24/45/207302445.db2.gz YHBNGEATGNVQGI-UHFFFAOYSA-N 1 2 390.490 2.110 50 0 GEAALO Cc1ccc(N2C[C@@H](C(=O)NCCc3cn4ccccc4[nH+]3)CC2=O)cc1F ZINC000026362766 207313541 /nfs/dbraw/zinc/31/35/41/207313541.db2.gz JLXBGXRRTVQDTK-HNNXBMFYSA-N 1 2 380.423 2.494 50 0 GEAALO Cn1cc[nH+]c1[C@H](NC(=O)c1n[nH]c(=O)c2ccccc12)c1ccccc1F ZINC000029086262 207355286 /nfs/dbraw/zinc/35/52/86/207355286.db2.gz FXYWUWPGTJJXAT-MRXNPFEDSA-N 1 2 377.379 2.315 50 0 GEAALO CC[NH+]1CCN(C(=O)[C@H](C)Sc2nnc(Cc3csc(C)n3)o2)CC1 ZINC000029991332 207368302 /nfs/dbraw/zinc/36/83/02/207368302.db2.gz OBBAUMFYOAKHKB-NSHDSACASA-N 1 2 381.527 2.070 50 0 GEAALO CCOC(=O)c1ccc(C(=O)NCc2ccccc2C[NH+]2CCOCC2)nc1C ZINC000030586478 207372238 /nfs/dbraw/zinc/37/22/38/207372238.db2.gz YSQDIDVFHRZLDR-UHFFFAOYSA-N 1 2 397.475 2.329 50 0 GEAALO Cc1cccn2c(CC(=O)N3CC[C@@H](Cc4cccc(C(N)=O)c4)C3)c[nH+]c12 ZINC000072158264 207983753 /nfs/dbraw/zinc/98/37/53/207983753.db2.gz SZCYSEDFDNMZAO-KRWDZBQOSA-N 1 2 376.460 2.375 50 0 GEAALO CNS(=O)(=O)c1ccc(-c2[nH+]ccn2CC(=O)Nc2ccccc2C)cc1 ZINC000072412075 208019947 /nfs/dbraw/zinc/01/99/47/208019947.db2.gz DEUQNTPHJQDUEQ-UHFFFAOYSA-N 1 2 384.461 2.405 50 0 GEAALO O=C(NCc1nccs1)c1ccc2c(c1)CN(CCCn1cc[nH+]c1)C2=O ZINC000072424456 208023130 /nfs/dbraw/zinc/02/31/30/208023130.db2.gz DWFYPUYWJDERPV-UHFFFAOYSA-N 1 2 381.461 2.316 50 0 GEAALO O=C(CCc1cccs1)N1CC[C@@H]2[C@@H](CCC(=O)N2CCc2c[nH+]c[nH]2)C1 ZINC000072477646 208031245 /nfs/dbraw/zinc/03/12/45/208031245.db2.gz CKNIMJIQCQIKHB-MAUKXSAKSA-N 1 2 386.521 2.486 50 0 GEAALO O=C(CCc1cccs1)N1CC[C@@H]2[C@@H](CCC(=O)N2CCc2c[nH]c[nH+]2)C1 ZINC000072477646 208031249 /nfs/dbraw/zinc/03/12/49/208031249.db2.gz CKNIMJIQCQIKHB-MAUKXSAKSA-N 1 2 386.521 2.486 50 0 GEAALO Cc1cc(C)n2nc(C(=O)N3CC[NH+](CCOc4ccccc4)CC3)cc2n1 ZINC000077337172 208038702 /nfs/dbraw/zinc/03/87/02/208038702.db2.gz VCOWRGVPXJGPME-UHFFFAOYSA-N 1 2 379.464 2.183 50 0 GEAALO Cn1c(C[NH+]2CCCC2)nnc1[C@H]1CCCN(C(=O)CCc2ccncc2)C1 ZINC000077339782 208039991 /nfs/dbraw/zinc/03/99/91/208039991.db2.gz HEWULGHGRFUVQR-SFHVURJKSA-N 1 2 382.512 2.145 50 0 GEAALO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)N(C[C@@H]1CCCO1)C1CCCC1 ZINC000084335657 208089796 /nfs/dbraw/zinc/08/97/96/208089796.db2.gz LWTGLPYYKJULOF-IBGZPJMESA-N 1 2 391.516 2.171 50 0 GEAALO Cn1cccc1C(=O)N1CCC2(CCC(=O)N(CCCn3cc[nH+]c3)C2)CC1 ZINC000091655989 208128343 /nfs/dbraw/zinc/12/83/43/208128343.db2.gz YZSIXUNOCUIUTF-UHFFFAOYSA-N 1 2 383.496 2.157 50 0 GEAALO O=C(NCCc1c[nH+]c[nH]1)c1cnc(Cc2c(Cl)cccc2Cl)[nH]c1=O ZINC000091645127 208129226 /nfs/dbraw/zinc/12/92/26/208129226.db2.gz PDHLOJLBRULKFR-UHFFFAOYSA-N 1 2 392.246 2.363 50 0 GEAALO O=C(NCCc1c[nH]c[nH+]1)c1cnc(Cc2c(Cl)cccc2Cl)[nH]c1=O ZINC000091645127 208129232 /nfs/dbraw/zinc/12/92/32/208129232.db2.gz PDHLOJLBRULKFR-UHFFFAOYSA-N 1 2 392.246 2.363 50 0 GEAALO Cc1nn(CC(=O)N2CCC(Oc3cc[nH+]cc3)CC2)c(=O)c2ccccc12 ZINC000091644384 208130780 /nfs/dbraw/zinc/13/07/80/208130780.db2.gz UAXBXPQKRFDXIE-UHFFFAOYSA-N 1 2 378.432 2.170 50 0 GEAALO O=C(c1cnc(-c2cccnc2)[nH]c1=O)N1CCCC[C@@H]1CCn1cc[nH+]c1 ZINC000091747070 208134552 /nfs/dbraw/zinc/13/45/52/208134552.db2.gz SZFLFPANPLHNBL-MRXNPFEDSA-N 1 2 378.436 2.113 50 0 GEAALO O=C(CCCn1cc[nH+]c1)N1CCC2(CCC(=O)N(Cc3ccccn3)C2)CC1 ZINC000091745255 208134889 /nfs/dbraw/zinc/13/48/89/208134889.db2.gz ZMSNLFUOYRZADE-UHFFFAOYSA-N 1 2 395.507 2.490 50 0 GEAALO CC(=O)N1CCc2[nH]c[nH+]c2C12CCN(C(=O)c1cccc3cccnc31)CC2 ZINC000091725888 208134946 /nfs/dbraw/zinc/13/49/46/208134946.db2.gz PZGCFXKBDYOUNK-UHFFFAOYSA-N 1 2 389.459 2.494 50 0 GEAALO COc1ccccc1C[NH+]1CCN(C(=O)CCNC(=O)c2ccccc2C)CC1 ZINC000089689123 208107662 /nfs/dbraw/zinc/10/76/62/208107662.db2.gz GILQNUKYEHPTHK-UHFFFAOYSA-N 1 2 395.503 2.468 50 0 GEAALO Cc1ccncc1C(=O)N1CCC[C@@]2(CCC(=O)N(CCc3c[nH+]c[nH]3)C2)C1 ZINC000091410155 208117514 /nfs/dbraw/zinc/11/75/14/208117514.db2.gz BTXVACNMMOGKES-NRFANRHFSA-N 1 2 381.480 2.201 50 0 GEAALO Cc1ccncc1C(=O)N1CCC[C@@]2(CCC(=O)N(CCc3c[nH]c[nH+]3)C2)C1 ZINC000091410155 208117520 /nfs/dbraw/zinc/11/75/20/208117520.db2.gz BTXVACNMMOGKES-NRFANRHFSA-N 1 2 381.480 2.201 50 0 GEAALO CCc1cc(C(=O)N2CCC[C@@H](c3nnc(Cn4cc[nH+]c4)n3C)C2)ccn1 ZINC000095365852 208162986 /nfs/dbraw/zinc/16/29/86/208162986.db2.gz IGICBDXNWRUMMI-MRXNPFEDSA-N 1 2 379.468 2.037 50 0 GEAALO O=C(c1ccc(Cn2cc[nH+]c2)o1)N1C[C@H]2CC[C@@H]1CN(c1cnccn1)C2 ZINC000095387767 208174997 /nfs/dbraw/zinc/17/49/97/208174997.db2.gz YPQUIGXWGINICW-JKSUJKDBSA-N 1 2 378.436 2.055 50 0 GEAALO COc1ccc(Cl)cc1[C@H](C(=O)[O-])N1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000095379877 208173276 /nfs/dbraw/zinc/17/32/76/208173276.db2.gz VIGIPHYMMOVLRD-GOSISDBHSA-N 1 2 381.904 2.186 50 0 GEAALO O=C(CCCn1cc[nH+]c1)N1CCC2(CCC(=O)N(C[C@@H]3CCCO3)C2)CC1 ZINC000092037622 208146020 /nfs/dbraw/zinc/14/60/20/208146020.db2.gz RNMFQPNIXYZOAM-SFHVURJKSA-N 1 2 388.512 2.074 50 0 GEAALO COc1cc(F)c(S(=O)(=O)N2CC[N@H+](C)Cc3ccccc32)cc1OC ZINC000095350168 208157002 /nfs/dbraw/zinc/15/70/02/208157002.db2.gz UTSGBGTYZWTWFR-UHFFFAOYSA-N 1 2 380.441 2.484 50 0 GEAALO COc1cc(F)c(S(=O)(=O)N2CC[N@@H+](C)Cc3ccccc32)cc1OC ZINC000095350168 208157007 /nfs/dbraw/zinc/15/70/07/208157007.db2.gz UTSGBGTYZWTWFR-UHFFFAOYSA-N 1 2 380.441 2.484 50 0 GEAALO Cc1cccn2c(CC(=O)N3C[C@@H]4c5ccccc5OC[C@]4(CO)C3)c[nH+]c12 ZINC000095507844 208206031 /nfs/dbraw/zinc/20/60/31/208206031.db2.gz RKOCKFSLMGVWDI-XMSQKQJNSA-N 1 2 377.444 2.182 50 0 GEAALO COCCn1cc[nH+]c1C1CCN(C(=O)c2cn(-c3ccccc3)nn2)CC1 ZINC000095497976 208198812 /nfs/dbraw/zinc/19/88/12/208198812.db2.gz QSLRXWZSBOEOMB-UHFFFAOYSA-N 1 2 380.452 2.130 50 0 GEAALO COc1coc(C[N@@H+]2CCC[C@H]2C(=O)Nc2cccc(-n3cccn3)c2)cc1=O ZINC000095497029 208199347 /nfs/dbraw/zinc/19/93/47/208199347.db2.gz MKADTEKAUDILMB-SFHVURJKSA-N 1 2 394.431 2.437 50 0 GEAALO COc1coc(C[N@H+]2CCC[C@H]2C(=O)Nc2cccc(-n3cccn3)c2)cc1=O ZINC000095497029 208199355 /nfs/dbraw/zinc/19/93/55/208199355.db2.gz MKADTEKAUDILMB-SFHVURJKSA-N 1 2 394.431 2.437 50 0 GEAALO COCCn1ccnc1[C@H]1CCCN(C(=O)Cc2c[nH+]c3c(C)cccn23)C1 ZINC000095499744 208201129 /nfs/dbraw/zinc/20/11/29/208201129.db2.gz AKNSZICZJZNOQG-KRWDZBQOSA-N 1 2 381.480 2.434 50 0 GEAALO COCCn1cc[nH+]c1C1CCN(C(=O)CCc2[nH]nc3c2CCCC3)CC1 ZINC000095504798 208204241 /nfs/dbraw/zinc/20/42/41/208204241.db2.gz KEWRJIPYRWEJPZ-UHFFFAOYSA-N 1 2 385.512 2.470 50 0 GEAALO CCC(=O)N1CCc2[nH]c[nH+]c2C12CCN(C(=O)Cc1ccccc1F)CC2 ZINC000095502264 208204556 /nfs/dbraw/zinc/20/45/56/208204556.db2.gz HNKHCQLXDKTLDX-UHFFFAOYSA-N 1 2 384.455 2.404 50 0 GEAALO O=C(c1ccc(-n2cnnc2)nc1)N1CCC[C@@H](c2[nH+]ccn2CC2CC2)C1 ZINC000095512629 208212830 /nfs/dbraw/zinc/21/28/30/208212830.db2.gz OWZLFIOWXCRRLN-QGZVFWFLSA-N 1 2 377.452 2.289 50 0 GEAALO CCC(=O)N1CCc2[nH]c[nH+]c2C12CCN(C(=O)Cc1cccc(F)c1)CC2 ZINC000095511690 208214500 /nfs/dbraw/zinc/21/45/00/208214500.db2.gz SGQHUJZOCIUNLV-UHFFFAOYSA-N 1 2 384.455 2.404 50 0 GEAALO CCC(=O)N1CCc2[nH]c[nH+]c2C12CCN(C(=O)c1ccnc(CC)c1)CC2 ZINC000095511733 208214691 /nfs/dbraw/zinc/21/46/91/208214691.db2.gz UWRDRPJRFLYTGZ-UHFFFAOYSA-N 1 2 381.480 2.293 50 0 GEAALO O=C(c1ccc(-n2cnnc2)nc1)N1CCC[C@H](c2[nH+]ccn2CC2CC2)C1 ZINC000095512628 208215172 /nfs/dbraw/zinc/21/51/72/208215172.db2.gz OWZLFIOWXCRRLN-KRWDZBQOSA-N 1 2 377.452 2.289 50 0 GEAALO O=C(Cc1c[nH+]c[nH]1)N1CCC[C@@H](C(=O)Nc2ccc(-c3cc[nH]n3)cc2)C1 ZINC000095523041 208222666 /nfs/dbraw/zinc/22/26/66/208222666.db2.gz UJMNBGLYLQVZIB-OAHLLOKOSA-N 1 2 378.436 2.220 50 0 GEAALO Cc1ccc(C(=O)N2CCC[C@@H](c3[nH+]ccn3Cc3ccncc3)C2)c(=O)[nH]1 ZINC000095522978 208223456 /nfs/dbraw/zinc/22/34/56/208223456.db2.gz GZZPQDWLTILOJQ-QGZVFWFLSA-N 1 2 377.448 2.343 50 0 GEAALO O=C(Cc1c[nH+]c[nH]1)N1CCC[C@H](C(=O)Nc2ccc(-c3cc[nH]n3)cc2)C1 ZINC000095523042 208223742 /nfs/dbraw/zinc/22/37/42/208223742.db2.gz UJMNBGLYLQVZIB-HNNXBMFYSA-N 1 2 378.436 2.220 50 0 GEAALO Cc1nc2cc(C(=O)N3CCC[C@H](c4[nH+]ccn4CC(N)=O)C3)ccc2s1 ZINC000095529803 208230965 /nfs/dbraw/zinc/23/09/65/208230965.db2.gz KJKOQKSJTQNBHY-AWEZNQCLSA-N 1 2 383.477 2.306 50 0 GEAALO COc1ccccc1CCC(=O)N1CCC(c2nnc(C[NH+](C)C)n2C)CC1 ZINC000096140501 208271397 /nfs/dbraw/zinc/27/13/97/208271397.db2.gz NTQDDLPGODYEOP-UHFFFAOYSA-N 1 2 385.512 2.224 50 0 GEAALO CCn1c(Cn2cc[nH+]c2)nnc1C1CCN(C(=O)c2csc(C)n2)CC1 ZINC000096140544 208272338 /nfs/dbraw/zinc/27/23/38/208272338.db2.gz LLDJVEBEFCUISL-UHFFFAOYSA-N 1 2 385.497 2.328 50 0 GEAALO COC(=O)c1cccc(NC(=O)N2CC[N@H+](Cc3ccoc3)[C@@H](CCO)C2)c1 ZINC000096150436 208277468 /nfs/dbraw/zinc/27/74/68/208277468.db2.gz JZNMVUZAQSFMTL-SFHVURJKSA-N 1 2 387.436 2.167 50 0 GEAALO COC(=O)c1cccc(NC(=O)N2CC[N@@H+](Cc3ccoc3)[C@@H](CCO)C2)c1 ZINC000096150436 208277473 /nfs/dbraw/zinc/27/74/73/208277473.db2.gz JZNMVUZAQSFMTL-SFHVURJKSA-N 1 2 387.436 2.167 50 0 GEAALO COc1ccc(-n2ccc(C(=O)Nc3ccc(C[NH+]4CCOCC4)cn3)n2)cc1 ZINC000095976306 208249459 /nfs/dbraw/zinc/24/94/59/208249459.db2.gz SOZXDTDIXJCMJS-UHFFFAOYSA-N 1 2 393.447 2.360 50 0 GEAALO Cc1ccc(S(=O)(=O)NCCCNC(=O)Nc2ccc(C)[nH+]c2C)cc1 ZINC000096135872 208269611 /nfs/dbraw/zinc/26/96/11/208269611.db2.gz ZVERNVMFEWICBR-UHFFFAOYSA-N 1 2 376.482 2.497 50 0 GEAALO CCn1c(Cn2cc[nH+]c2)nnc1C1CCN(C(=O)c2ccc(C)nc2)CC1 ZINC000096163118 208280436 /nfs/dbraw/zinc/28/04/36/208280436.db2.gz CQVVGXAETCHIPU-UHFFFAOYSA-N 1 2 379.468 2.266 50 0 GEAALO COCCCNC(=O)[C@H](C1CCCC1)[NH+]1CCN(C(=O)c2cccs2)CC1 ZINC000096280263 208302772 /nfs/dbraw/zinc/30/27/72/208302772.db2.gz ZWTFPARRHZHHBA-SFHVURJKSA-N 1 2 393.553 2.217 50 0 GEAALO O=C(/C=C\c1nc2ccccc2o1)N1CC[NH+](CC(=O)N2CCCCCC2)CC1 ZINC000096925268 208329958 /nfs/dbraw/zinc/32/99/58/208329958.db2.gz PXMZQJBGXPBQCI-KTKRTIGZSA-N 1 2 396.491 2.388 50 0 GEAALO O=C(/C=C\c1cccs1)N1CC[NH+](Cc2cc(=O)n3ccccc3n2)CC1 ZINC000097035299 208334687 /nfs/dbraw/zinc/33/46/87/208334687.db2.gz LWYJPDOPHHXIQC-SREVYHEPSA-N 1 2 380.473 2.114 50 0 GEAALO CC(C)[C@@H]1C[C@H](CC(=O)N2CC[NH+]([C@@H](C)C(=O)N3CCCCC3)CC2)CCO1 ZINC000097081713 208335744 /nfs/dbraw/zinc/33/57/44/208335744.db2.gz OBYOUCYCTQPBJX-ZCNNSNEGSA-N 1 2 393.572 2.373 50 0 GEAALO O=C(NCc1ccc2c(c1)OCO2)N1CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000097162337 208341819 /nfs/dbraw/zinc/34/18/19/208341819.db2.gz RYWAJYSCOONQLX-UHFFFAOYSA-N 1 2 379.420 2.323 50 0 GEAALO CC(=O)Nc1cccc(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c1 ZINC000020059626 208807327 /nfs/dbraw/zinc/80/73/27/208807327.db2.gz MSUALQOTXQZIQH-UHFFFAOYSA-N 1 2 381.432 2.332 50 0 GEAALO COCC(=O)Nc1ccc(NC(=O)[C@H](C(C)C)[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000058203407 208997976 /nfs/dbraw/zinc/99/79/76/208997976.db2.gz JNHAMSUQFVTHTO-DOXZYTNZSA-N 1 2 377.485 2.344 50 0 GEAALO O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CC(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000096104302 209008597 /nfs/dbraw/zinc/00/85/97/209008597.db2.gz PZPNIXSDKQYTMD-UHFFFAOYSA-N 1 2 399.447 2.369 50 0 GEAALO C[N@H+](CC(=O)N[C@H](c1ccc2c(c1)CCO2)[C@H]1C[C@@H](O)C1)Cc1ccccn1 ZINC000244701012 209022243 /nfs/dbraw/zinc/02/22/43/209022243.db2.gz JYIBVZRMISFGGM-ZWCUEREDSA-N 1 2 381.476 2.077 50 0 GEAALO C[N@@H+](CC(=O)N[C@H](c1ccc2c(c1)CCO2)[C@H]1C[C@@H](O)C1)Cc1ccccn1 ZINC000244701012 209022245 /nfs/dbraw/zinc/02/22/45/209022245.db2.gz JYIBVZRMISFGGM-ZWCUEREDSA-N 1 2 381.476 2.077 50 0 GEAALO Cn1c(C[NH+](C)C)nnc1[C@H]1C[C@@H](NC(=O)c2cc(-c3ccsc3)n[nH]2)C1 ZINC000244641266 209022791 /nfs/dbraw/zinc/02/27/91/209022791.db2.gz GMMKMECBJDSBSL-BETUJISGSA-N 1 2 385.497 2.004 50 0 GEAALO COc1ccc(F)cc1-c1cccc(C(=O)NCCC[N@@H+]2CCNC(=O)C2)c1 ZINC000299786333 209089054 /nfs/dbraw/zinc/08/90/54/209089054.db2.gz WTMZYCCCPQOTGR-UHFFFAOYSA-N 1 2 385.439 2.053 50 0 GEAALO COc1ccc(F)cc1-c1cccc(C(=O)NCCC[N@H+]2CCNC(=O)C2)c1 ZINC000299786333 209089055 /nfs/dbraw/zinc/08/90/55/209089055.db2.gz WTMZYCCCPQOTGR-UHFFFAOYSA-N 1 2 385.439 2.053 50 0 GEAALO Cn1ncc2c1ncnc2N1CC[NH+](Cc2ncc(-c3ccccc3)o2)CC1 ZINC000040040204 132392787 /nfs/dbraw/zinc/39/27/87/132392787.db2.gz IHCASIFLLWOIAI-UHFFFAOYSA-N 1 2 375.436 2.341 50 0 GEAALO C[C@H]1CC(=O)Nc2ccccc2N1C(=O)C[NH+]1CCN(c2ccccc2O)CC1 ZINC000058170281 136154781 /nfs/dbraw/zinc/15/47/81/136154781.db2.gz WVXKTFLTEHIMSE-INIZCTEOSA-N 1 2 394.475 2.278 50 0 GEAALO O=C(NCC[NH+]1CCN(c2ccccc2F)CC1)[C@H]1COc2ccccc2C1 ZINC000059560446 136155643 /nfs/dbraw/zinc/15/56/43/136155643.db2.gz IQJMQGVUTQNZIA-GOSISDBHSA-N 1 2 383.467 2.315 50 0 GEAALO CC1CCN(c2cc(-n3cnc(C(=O)NCCc4ccccn4)c3)nc[nH+]2)CC1 ZINC000065239890 136161021 /nfs/dbraw/zinc/16/10/21/136161021.db2.gz JIKMUFZOVKMEFJ-UHFFFAOYSA-N 1 2 391.479 2.266 50 0 GEAALO Cc1nc(-n2cccn2)cc(N2CCN(C(=O)Nc3cccc(F)c3)CC2)[nH+]1 ZINC000065364560 136163433 /nfs/dbraw/zinc/16/34/33/136163433.db2.gz OYDLWFACLYJOEN-UHFFFAOYSA-N 1 2 381.415 2.464 50 0 GEAALO O=C1C[C@@H](c2ccc[nH+]c2N2CCOCC2)c2cnn(Cc3ccncc3)c2N1 ZINC000065371594 136163716 /nfs/dbraw/zinc/16/37/16/136163716.db2.gz XLQCRCFBAIKVON-KRWDZBQOSA-N 1 2 390.447 2.032 50 0 GEAALO O=C(NCCNc1cc(N2CCOCC2)nc[nH+]1)c1ccccc1C(F)(F)F ZINC000082230665 136174436 /nfs/dbraw/zinc/17/44/36/136174436.db2.gz QJXUBRISGICBLS-UHFFFAOYSA-N 1 2 395.385 2.174 50 0 GEAALO O=C(NCCNc1cc(N2CCOCC2)[nH+]cn1)c1ccccc1C(F)(F)F ZINC000082230665 136174437 /nfs/dbraw/zinc/17/44/37/136174437.db2.gz QJXUBRISGICBLS-UHFFFAOYSA-N 1 2 395.385 2.174 50 0 GEAALO COc1ccc(CC(=O)N2CCN(c3cc(-n4cccc4)nc[nH+]3)CC2)cc1 ZINC000090607815 136176053 /nfs/dbraw/zinc/17/60/53/136176053.db2.gz XNCSDGPQODBQPJ-UHFFFAOYSA-N 1 2 377.448 2.167 50 0 GEAALO Cc1cccc(CCNc2nc(N3CCOCC3)c(C(C)(C)C(=O)[O-])c[nH+]2)[nH+]1 ZINC000096159821 136184675 /nfs/dbraw/zinc/18/46/75/136184675.db2.gz BPWGAOKGYBYCPW-UHFFFAOYSA-N 1 2 385.468 2.033 50 0 GEAALO Cc1cc(N2CCN(C(=O)c3cccc(NC(N)=O)c3)CC2)nc(C(C)C)[nH+]1 ZINC000016103413 136201935 /nfs/dbraw/zinc/20/19/35/136201935.db2.gz KAMIMPVPFKHZAX-UHFFFAOYSA-N 1 2 382.468 2.361 50 0 GEAALO COc1ccc(C[N@@H+]2CCn3nc(CNc4cnccn4)cc3C2)c(OC)c1 ZINC000299772618 209086151 /nfs/dbraw/zinc/08/61/51/209086151.db2.gz AFKGQBWMHGDMAV-UHFFFAOYSA-N 1 2 380.452 2.318 50 0 GEAALO COc1ccc(C[N@H+]2CCn3nc(CNc4cnccn4)cc3C2)c(OC)c1 ZINC000299772618 209086156 /nfs/dbraw/zinc/08/61/56/209086156.db2.gz AFKGQBWMHGDMAV-UHFFFAOYSA-N 1 2 380.452 2.318 50 0 GEAALO Cc1noc(C)c1C[N@@H+]1CCc2c(C(=O)N3CCC[C@H]3C(N)=O)csc2C1 ZINC000426674338 534360457 /nfs/dbraw/zinc/36/04/57/534360457.db2.gz SISBYGABJWGXGT-INIZCTEOSA-N 1 2 388.493 2.001 50 0 GEAALO Cc1noc(C)c1C[N@H+]1CCc2c(C(=O)N3CCC[C@H]3C(N)=O)csc2C1 ZINC000426674338 534360467 /nfs/dbraw/zinc/36/04/67/534360467.db2.gz SISBYGABJWGXGT-INIZCTEOSA-N 1 2 388.493 2.001 50 0 GEAALO Cc1ccc2[nH]c([C@H](C)NC(=O)N3CCC(O)(Cn4cc[nH+]c4)CC3)nc2c1 ZINC000426528104 534509036 /nfs/dbraw/zinc/50/90/36/534509036.db2.gz VMVLKMGBVKVVHO-HNNXBMFYSA-N 1 2 382.468 2.366 50 0 GEAALO Cc1ccc2nc([C@H](C)NC(=O)N3CCC(O)(Cn4cc[nH+]c4)CC3)[nH]c2c1 ZINC000426528104 534509039 /nfs/dbraw/zinc/50/90/39/534509039.db2.gz VMVLKMGBVKVVHO-HNNXBMFYSA-N 1 2 382.468 2.366 50 0 GEAALO CCOC(=O)[C@H]1CCC[N@@H+]([C@H]2CC(=O)N(c3cc(Cl)ccc3OC)C2=O)C1 ZINC000241630826 528065727 /nfs/dbraw/zinc/06/57/27/528065727.db2.gz PLRLPNOILAMWJC-WFASDCNBSA-N 1 2 394.855 2.256 50 0 GEAALO CCOC(=O)[C@H]1CCC[N@H+]([C@H]2CC(=O)N(c3cc(Cl)ccc3OC)C2=O)C1 ZINC000241630826 528065731 /nfs/dbraw/zinc/06/57/31/528065731.db2.gz PLRLPNOILAMWJC-WFASDCNBSA-N 1 2 394.855 2.256 50 0 GEAALO COc1ccccc1C(=O)N1CCN(c2cc(-n3c[nH+]c(C)c3C)ncn2)CC1 ZINC000091402437 536994098 /nfs/dbraw/zinc/99/40/98/536994098.db2.gz PYPQFMQGYKONAL-UHFFFAOYSA-N 1 2 392.463 2.250 50 0 GEAALO C[C@H](C(=O)Nc1ncccn1)[NH+]1CCC(NC(=O)CCc2ccccc2)CC1 ZINC000048303255 570231479 /nfs/dbraw/zinc/23/14/79/570231479.db2.gz MLNUBVHRZUVYNR-MRXNPFEDSA-N 1 2 381.480 2.017 50 0 GEAALO COc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)[C@H]2Cc3ccccc3O2)cc1 ZINC000048303335 570231895 /nfs/dbraw/zinc/23/18/95/570231895.db2.gz JZLZAEWQLXEISS-PZJWPPBQSA-N 1 2 382.460 2.188 50 0 GEAALO COC(=O)c1cccc(S(=O)(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000048332575 570237212 /nfs/dbraw/zinc/23/72/12/570237212.db2.gz SRVWUVLXRSLLLG-INIZCTEOSA-N 1 2 378.450 2.182 50 0 GEAALO COc1cc(OC)c(C2=CC[N@@H+]([C@@H](C)C(=O)N3CCOCC3)CC2)c(OC)c1 ZINC000048331515 570238334 /nfs/dbraw/zinc/23/83/34/570238334.db2.gz GFZMYBIRABQSIO-HNNXBMFYSA-N 1 2 390.480 2.049 50 0 GEAALO COc1cc(OC)c(C2=CC[N@H+]([C@@H](C)C(=O)N3CCOCC3)CC2)c(OC)c1 ZINC000048331515 570238335 /nfs/dbraw/zinc/23/83/35/570238335.db2.gz GFZMYBIRABQSIO-HNNXBMFYSA-N 1 2 390.480 2.049 50 0 GEAALO OCCOc1cccc(CN2CC[N@H+](Cc3ccccc3F)[C@H](CCO)C2)c1 ZINC000104341900 570257173 /nfs/dbraw/zinc/25/71/73/570257173.db2.gz JDRSKSQFEOLJPL-HXUWFJFHSA-N 1 2 388.483 2.266 50 0 GEAALO OCCOc1cccc(CN2CC[N@@H+](Cc3ccccc3F)[C@H](CCO)C2)c1 ZINC000104341900 570257177 /nfs/dbraw/zinc/25/71/77/570257177.db2.gz JDRSKSQFEOLJPL-HXUWFJFHSA-N 1 2 388.483 2.266 50 0 GEAALO COc1ccnc(N2CC[NH+]([C@H](C)C(=O)Nc3cccc4ncccc43)CC2)n1 ZINC000049981627 570272875 /nfs/dbraw/zinc/27/28/75/570272875.db2.gz IGNMKGZANLLMJE-OAHLLOKOSA-N 1 2 392.463 2.183 50 0 GEAALO Cc1cccc(NC(=O)[C@H]2CC(=O)NC(N3CCN(c4ccccc4)CC3)=[NH+]2)c1 ZINC000002226216 570279805 /nfs/dbraw/zinc/27/98/05/570279805.db2.gz GFALDNRODODCAF-LJQANCHMSA-N 1 2 391.475 2.000 50 0 GEAALO O=C(C[C@@H]1C(=O)NCC[N@H+]1Cc1ccc2ccccc2c1)NCc1ccccn1 ZINC000011665372 570281493 /nfs/dbraw/zinc/28/14/93/570281493.db2.gz RLKJSLLRUAKUDL-OAQYLSRUSA-N 1 2 388.471 2.242 50 0 GEAALO O=C(C[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc2ccccc2c1)NCc1ccccn1 ZINC000011665372 570281494 /nfs/dbraw/zinc/28/14/94/570281494.db2.gz RLKJSLLRUAKUDL-OAQYLSRUSA-N 1 2 388.471 2.242 50 0 GEAALO Cn1cc[nH+]c1[C@@H](NC(=O)c1cnc2sccn2c1=O)c1cccc(F)c1 ZINC000048237180 570291224 /nfs/dbraw/zinc/29/12/24/570291224.db2.gz HXQURQKOQTYFRD-AWEZNQCLSA-N 1 2 383.408 2.148 50 0 GEAALO CCCn1c(=O)[nH]nc1S[C@@H](C)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000021128834 570292473 /nfs/dbraw/zinc/29/24/73/570292473.db2.gz ZFZWQCQYCGVTDC-HNNXBMFYSA-N 1 2 389.525 2.219 50 0 GEAALO CCCN1C(=O)N=NC1S[C@@H](C)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000021128834 570292474 /nfs/dbraw/zinc/29/24/74/570292474.db2.gz ZFZWQCQYCGVTDC-HNNXBMFYSA-N 1 2 389.525 2.219 50 0 GEAALO CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Cn1cc[nH+]c1 ZINC000010809776 570301178 /nfs/dbraw/zinc/30/11/78/570301178.db2.gz HUWMHCXKLZFOAD-UHFFFAOYSA-N 1 2 392.481 2.095 50 0 GEAALO COc1cc(C[N@@H+]2CCN(c3noc(C(C)C)n3)C[C@@H]2CCO)cc(OC)c1 ZINC000106964206 570307827 /nfs/dbraw/zinc/30/78/27/570307827.db2.gz JLRWIRCCQRSHQH-INIZCTEOSA-N 1 2 390.484 2.283 50 0 GEAALO COc1cc(C[N@H+]2CCN(c3noc(C(C)C)n3)C[C@@H]2CCO)cc(OC)c1 ZINC000106964206 570307830 /nfs/dbraw/zinc/30/78/30/570307830.db2.gz JLRWIRCCQRSHQH-INIZCTEOSA-N 1 2 390.484 2.283 50 0 GEAALO COC(=O)c1c2c(sc1NC(=S)NN1CC[NH+](C)CC1)C[C@H](C)CC2 ZINC000002858939 570310702 /nfs/dbraw/zinc/31/07/02/570310702.db2.gz FPUGRWXWXIKFML-LLVKDONJSA-N 1 2 382.555 2.108 50 0 GEAALO CCn1cc(C(=O)N2CCN(c3cccc[nH+]3)CC2)c(=O)c2ccc(C)nc21 ZINC000012323592 570314203 /nfs/dbraw/zinc/31/42/03/570314203.db2.gz VJDGRAGYGKGTEO-UHFFFAOYSA-N 1 2 377.448 2.082 50 0 GEAALO Cc1cccc(Cn2c(C[NH+]3CCC(C)CC3)nc3c2c(=O)n(C)c(=O)n3C)c1 ZINC000006199733 570326015 /nfs/dbraw/zinc/32/60/15/570326015.db2.gz ZRYACGQMYCHRGS-UHFFFAOYSA-N 1 2 395.507 2.022 50 0 GEAALO O=C(Nc1ccc(-c2cc[nH]n2)cc1)C1CN(c2cc(-n3cc[nH+]c3)ncn2)C1 ZINC000575609528 570333049 /nfs/dbraw/zinc/33/30/49/570333049.db2.gz MTUNPMBJQSHQCA-UHFFFAOYSA-N 1 2 386.419 2.127 50 0 GEAALO CS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(Oc3cc[nH+]cc3)cc2)C1 ZINC000050490873 570340657 /nfs/dbraw/zinc/34/06/57/570340657.db2.gz ZCHXTIQJWHZFJI-AWEZNQCLSA-N 1 2 375.450 2.484 50 0 GEAALO COC(=O)c1ccc(C(=O)N2CCN(Cc3c[nH+]c4ccccn34)CC2)cc1 ZINC000090609418 570384924 /nfs/dbraw/zinc/38/49/24/570384924.db2.gz QHLDLJCZTPDMID-UHFFFAOYSA-N 1 2 378.432 2.079 50 0 GEAALO O=C(C[NH+]1CCN(Cc2nc3ccccc3[nH]2)CC1)NCCc1ccccc1 ZINC000035598318 570401159 /nfs/dbraw/zinc/40/11/59/570401159.db2.gz ZKIXKFNMEXWKFO-UHFFFAOYSA-N 1 2 377.492 2.039 50 0 GEAALO Cn1c(CN2CC[NH+](CC(=O)NCc3ccc(F)cc3)CC2)nc2ccccc21 ZINC000042380849 570466733 /nfs/dbraw/zinc/46/67/33/570466733.db2.gz AFQPPPYFHJCDLZ-UHFFFAOYSA-N 1 2 395.482 2.146 50 0 GEAALO Cn1nc(C(=O)Nc2nc3c(s2)C[N@H+](Cc2ccccc2)CC3)ccc1=O ZINC000006650481 570517062 /nfs/dbraw/zinc/51/70/62/570517062.db2.gz KMJWYCUMSBOOIO-UHFFFAOYSA-N 1 2 381.461 2.047 50 0 GEAALO Cn1nc(C(=O)Nc2nc3c(s2)C[N@@H+](Cc2ccccc2)CC3)ccc1=O ZINC000006650481 570517065 /nfs/dbraw/zinc/51/70/65/570517065.db2.gz KMJWYCUMSBOOIO-UHFFFAOYSA-N 1 2 381.461 2.047 50 0 GEAALO C[NH+]1CCN(S(=O)(=O)c2ccc(SCCOc3ccccc3)nc2)CC1 ZINC000034859005 570545285 /nfs/dbraw/zinc/54/52/85/570545285.db2.gz BSUWSMFBQFXLGI-UHFFFAOYSA-N 1 2 393.534 2.189 50 0 GEAALO Nn1c(=O)c2sc(-c3ccccc3)cc2nc1SCC[NH+]1CCOCC1 ZINC000036646150 570567448 /nfs/dbraw/zinc/56/74/48/570567448.db2.gz GNJDQMUZQMVJLG-UHFFFAOYSA-N 1 2 388.518 2.263 50 0 GEAALO Cc1ccc(NC(=O)CN2CC[NH+](CC(=O)N(C)Cc3ccccc3)CC2)cc1 ZINC000022914930 570571683 /nfs/dbraw/zinc/57/16/83/570571683.db2.gz WZYAORHOYJRNOM-UHFFFAOYSA-N 1 2 394.519 2.210 50 0 GEAALO CC[C@H](C)C(=O)N1CC[NH+]([C@H](C(=O)N2CCSCC2)C2CCCC2)CC1 ZINC000036251207 570587376 /nfs/dbraw/zinc/58/73/76/570587376.db2.gz UFLRNQBNAHQBQB-WMZOPIPTSA-N 1 2 381.586 2.311 50 0 GEAALO CCc1c(C(=O)NCCn2cc[nH+]c2)c(=O)cc(C)n1Cc1ccc(OC)cc1 ZINC000011911943 570592163 /nfs/dbraw/zinc/59/21/63/570592163.db2.gz QQDHCOWXRPVXHQ-UHFFFAOYSA-N 1 2 394.475 2.403 50 0 GEAALO COc1cccc(OC[C@@H]2C[N@H+](C[C@@H](O)COCc3ccccc3)CCO2)c1 ZINC000169681509 570602034 /nfs/dbraw/zinc/60/20/34/570602034.db2.gz PPCQSLRROUGQPQ-KNQAVFIVSA-N 1 2 387.476 2.353 50 0 GEAALO COc1cccc(OC[C@@H]2C[N@@H+](C[C@@H](O)COCc3ccccc3)CCO2)c1 ZINC000169681509 570602039 /nfs/dbraw/zinc/60/20/39/570602039.db2.gz PPCQSLRROUGQPQ-KNQAVFIVSA-N 1 2 387.476 2.353 50 0 GEAALO C[NH+]1CCN(S(=O)(=O)c2cccc(C(=O)Nc3c(F)cccc3F)c2)CC1 ZINC000041336516 570616506 /nfs/dbraw/zinc/61/65/06/570616506.db2.gz BQWGQHWGQUZRRZ-UHFFFAOYSA-N 1 2 395.431 2.153 50 0 GEAALO CCn1cc[nH+]c1CN(C)C(=O)c1cc(COc2ccc3c(c2)OCO3)[nH]n1 ZINC000012209112 570626658 /nfs/dbraw/zinc/62/66/58/570626658.db2.gz JKUUKZCPTDWSCB-UHFFFAOYSA-N 1 2 383.408 2.206 50 0 GEAALO COc1cccc(N2CC[NH+](CC(=O)Nc3ccc(OC)cc3OC)CC2)c1 ZINC000055060351 570680588 /nfs/dbraw/zinc/68/05/88/570680588.db2.gz IMIFKYMXUVLYQX-UHFFFAOYSA-N 1 2 385.464 2.473 50 0 GEAALO O=C(NCc1cccc(OC(F)(F)F)c1)c1cc(C[N@H+]2CCC[C@@H](O)C2)on1 ZINC000012597238 570690228 /nfs/dbraw/zinc/69/02/28/570690228.db2.gz BHGMKZSWGUADPQ-CYBMUJFWSA-N 1 2 399.369 2.460 50 0 GEAALO O=C(NCc1cccc(OC(F)(F)F)c1)c1cc(C[N@@H+]2CCC[C@@H](O)C2)on1 ZINC000012597238 570690231 /nfs/dbraw/zinc/69/02/31/570690231.db2.gz BHGMKZSWGUADPQ-CYBMUJFWSA-N 1 2 399.369 2.460 50 0 GEAALO O=C(NC[C@@H](c1cccs1)[NH+]1CCOCC1)c1cc2ccccc2[nH]c1=O ZINC000012938217 570730479 /nfs/dbraw/zinc/73/04/79/570730479.db2.gz RKNBUAMDTIPCGH-KRWDZBQOSA-N 1 2 383.473 2.393 50 0 GEAALO O=C(NCC[NH+]1CCOCC1)c1cn(-c2ccccc2F)c(=O)c2ccccc12 ZINC000072401933 570738907 /nfs/dbraw/zinc/73/89/07/570738907.db2.gz QMWPITJJFMOVKG-UHFFFAOYSA-N 1 2 395.434 2.192 50 0 GEAALO COc1cccc([C@@H]2CC[N@H+](Cc3ccc(S(C)(=O)=O)cc3)C[C@H]2O)c1 ZINC000065398839 570766257 /nfs/dbraw/zinc/76/62/57/570766257.db2.gz ZFNXXUDYBPWLGH-VQTJNVASSA-N 1 2 375.490 2.449 50 0 GEAALO COc1cccc([C@@H]2CC[N@@H+](Cc3ccc(S(C)(=O)=O)cc3)C[C@H]2O)c1 ZINC000065398839 570766258 /nfs/dbraw/zinc/76/62/58/570766258.db2.gz ZFNXXUDYBPWLGH-VQTJNVASSA-N 1 2 375.490 2.449 50 0 GEAALO Cc1c(OCC(=O)N2CCN(c3cccc[nH+]3)CC2)c(=O)ccn1CCC(C)C ZINC000524733111 570768070 /nfs/dbraw/zinc/76/80/70/570768070.db2.gz VNMMKSXGNYROAC-UHFFFAOYSA-N 1 2 398.507 2.325 50 0 GEAALO Cc1ccc(-c2[nH]c(CNC(=O)[C@@H]3COCC[NH2+]3)nc2-c2ccccn2)cc1 ZINC000067446556 570780048 /nfs/dbraw/zinc/78/00/48/570780048.db2.gz VCSJGNZFYLCCQQ-KRWDZBQOSA-N 1 2 377.448 2.052 50 0 GEAALO O=C(CCCc1ccccc1)N1CCN(c2cc(-n3cc[nH+]c3)ncn2)CC1 ZINC000067621982 570783827 /nfs/dbraw/zinc/78/38/27/570783827.db2.gz ARLLPJQHWIMPIL-UHFFFAOYSA-N 1 2 376.464 2.334 50 0 GEAALO C[NH+]1CCN(S(=O)(=O)Cc2ccc(C(=O)Nc3ccccc3F)cc2)CC1 ZINC000067622718 570783882 /nfs/dbraw/zinc/78/38/82/570783882.db2.gz FUWVYUPPINMACQ-UHFFFAOYSA-N 1 2 391.468 2.155 50 0 GEAALO COC(=O)c1[nH]c2ccccc2c1NC(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000013751194 570785004 /nfs/dbraw/zinc/78/50/04/570785004.db2.gz RALVAVVJIMOUQL-UHFFFAOYSA-N 1 2 393.447 2.110 50 0 GEAALO O=C(c1cc(C[NH+]2CCC(O)CC2)on1)N1CCCC[C@H]1c1nccs1 ZINC000067679345 570786213 /nfs/dbraw/zinc/78/62/13/570786213.db2.gz POCIYHFZRRAKCJ-INIZCTEOSA-N 1 2 376.482 2.455 50 0 GEAALO O=C(c1ccccc1F)N1CC[NH+](C[C@H](O)COCc2ccccc2F)CC1 ZINC000032772185 570805934 /nfs/dbraw/zinc/80/59/34/570805934.db2.gz YCHRMQZLRIEFSQ-KRWDZBQOSA-N 1 2 390.430 2.300 50 0 GEAALO NS(=O)(=O)c1ccc(CCNc2[nH+]cnc3c2cnn3-c2ccccc2)cc1 ZINC000004659358 570809130 /nfs/dbraw/zinc/80/91/30/570809130.db2.gz DNLWMUMMGZYTGC-UHFFFAOYSA-N 1 2 394.460 2.118 50 0 GEAALO CN(Cc1ccccc1)C(=O)c1nc2ccccn2c1C[N@@H+]1CC=C[C@H]1CO ZINC000071753227 570848110 /nfs/dbraw/zinc/84/81/10/570848110.db2.gz FZWOOOQLNSDEBT-SFHVURJKSA-N 1 2 376.460 2.339 50 0 GEAALO CN(Cc1ccccc1)C(=O)c1nc2ccccn2c1C[N@H+]1CC=C[C@H]1CO ZINC000071753227 570848113 /nfs/dbraw/zinc/84/81/13/570848113.db2.gz FZWOOOQLNSDEBT-SFHVURJKSA-N 1 2 376.460 2.339 50 0 GEAALO COc1cccc([C@@H](NC(=O)Cn2c(=O)oc3ccccc32)c2[nH+]ccn2C)c1 ZINC000032842349 570851112 /nfs/dbraw/zinc/85/11/12/570851112.db2.gz OHFLCFRAHLJNAZ-LJQANCHMSA-N 1 2 392.415 2.242 50 0 GEAALO O=C(NCCc1ccccc1)NCC[NH+]1CCN(C(=O)c2ccsc2)CC1 ZINC000044454329 570880739 /nfs/dbraw/zinc/88/07/39/570880739.db2.gz OKAVMORFJSDTDM-UHFFFAOYSA-N 1 2 386.521 2.048 50 0 GEAALO O=C(NC[C@H]([C@@H]1CCOC1)[NH+]1CCOCC1)c1csc(-c2ccsc2)n1 ZINC000042394296 570890828 /nfs/dbraw/zinc/89/08/28/570890828.db2.gz DDFBPVFWBRWKEG-CZUORRHYSA-N 1 2 393.534 2.339 50 0 GEAALO Cc1ccc(C(=O)OCC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c(O)c1 ZINC000014559531 570906008 /nfs/dbraw/zinc/90/60/08/570906008.db2.gz SFFMHZOYUQJCPN-UHFFFAOYSA-N 1 2 384.432 2.328 50 0 GEAALO O=C(CCCC(=O)N1CCc2ccccc2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000004739545 570953848 /nfs/dbraw/zinc/95/38/48/570953848.db2.gz HQEAFBGYUOAUDV-UHFFFAOYSA-N 1 2 392.503 2.485 50 0 GEAALO C[N@H+](CC(=O)NN1C(=O)NC2(CCCCC2)C1=O)Cc1cccc(Cl)c1 ZINC000015449566 570959684 /nfs/dbraw/zinc/95/96/84/570959684.db2.gz ACIXSKDNJDTKIZ-UHFFFAOYSA-N 1 2 378.860 2.058 50 0 GEAALO C[N@@H+](CC(=O)NN1C(=O)NC2(CCCCC2)C1=O)Cc1cccc(Cl)c1 ZINC000015449566 570959687 /nfs/dbraw/zinc/95/96/87/570959687.db2.gz ACIXSKDNJDTKIZ-UHFFFAOYSA-N 1 2 378.860 2.058 50 0 GEAALO O=C(c1cc(=O)c(OCc2ccccc2)c[nH]1)N1CCN(c2cccc[nH+]2)CC1 ZINC000012168228 570961211 /nfs/dbraw/zinc/96/12/11/570961211.db2.gz ALHLVMYUUBQVPF-UHFFFAOYSA-N 1 2 390.443 2.311 50 0 GEAALO O=C(NC[C@@H]1CCN(c2ccccc2)C1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000159239747 570962113 /nfs/dbraw/zinc/96/21/13/570962113.db2.gz FJKIBPQLXPCODU-IBGZPJMESA-N 1 2 379.508 2.435 50 0 GEAALO COc1cccc(OCC[NH+]2CCN(C(=O)N[C@@H](C)C(F)(F)F)CC2)c1 ZINC000425682553 570962957 /nfs/dbraw/zinc/96/29/57/570962957.db2.gz MYVHHDJKLCYLEZ-ZDUSSCGKSA-N 1 2 375.391 2.352 50 0 GEAALO COc1c2c(c(NC(=O)[C@@H]3COc4ccccc4O3)c3c1C[N@H+](C)CC3)OCO2 ZINC000032123830 570963389 /nfs/dbraw/zinc/96/33/89/570963389.db2.gz MKIMAERNPQFBCA-INIZCTEOSA-N 1 2 398.415 2.190 50 0 GEAALO COc1c2c(c(NC(=O)[C@@H]3COc4ccccc4O3)c3c1C[N@@H+](C)CC3)OCO2 ZINC000032123830 570963393 /nfs/dbraw/zinc/96/33/93/570963393.db2.gz MKIMAERNPQFBCA-INIZCTEOSA-N 1 2 398.415 2.190 50 0 GEAALO Cc1noc(C)c1CCC(=O)NC[C@H](c1cccs1)[NH+]1CCN(C)CC1 ZINC000044718971 570976835 /nfs/dbraw/zinc/97/68/35/570976835.db2.gz SAMPYQAKDOFHIG-QGZVFWFLSA-N 1 2 376.526 2.390 50 0 GEAALO Cc1ccccc1CNC(=O)C[NH+]1CCN(Cc2cn3ccccc3n2)CC1 ZINC000054614268 570984995 /nfs/dbraw/zinc/98/49/95/570984995.db2.gz UFGHNAHOGTUXSD-UHFFFAOYSA-N 1 2 377.492 2.077 50 0 GEAALO C[C@@]1(NC(=O)C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)CCS(=O)(=O)C1 ZINC000012775076 571028141 /nfs/dbraw/zinc/02/81/41/571028141.db2.gz OXOOTRSPZNARNO-HXUWFJFHSA-N 1 2 389.521 2.041 50 0 GEAALO COCCn1cc[nH+]c1[C@H]1CCCN(C(=O)CCN2CCCCCC2=O)C1 ZINC000095517982 571085158 /nfs/dbraw/zinc/08/51/58/571085158.db2.gz KEMBWNSXGDYPQC-KRWDZBQOSA-N 1 2 376.501 2.028 50 0 GEAALO Cc1cc(N)nc(SCC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)[nH+]1 ZINC000010350916 642359101 /nfs/dbraw/zinc/35/91/01/642359101.db2.gz ITSPZTVTNSQDFY-UHFFFAOYSA-N 1 2 388.421 2.094 50 0 GEAALO O=C(NCCCn1cc[nH+]c1)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 ZINC000040050412 642520494 /nfs/dbraw/zinc/52/04/94/642520494.db2.gz XBZPYEHMSQIXLF-ZDUSSCGKSA-N 1 2 391.269 2.205 50 0 GEAALO COc1ccc(OC)c(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000019552611 210261209 /nfs/dbraw/zinc/26/12/09/210261209.db2.gz FUJCDSZTDSDGBB-UHFFFAOYSA-N 1 2 376.478 2.210 50 0 GEAALO C[C@H](NC(=O)N1CC[NH+](Cc2ccco2)CC1)c1nc(-c2ccncc2)no1 ZINC000426507838 231230785 /nfs/dbraw/zinc/23/07/85/231230785.db2.gz GRGFCLAHILTNMS-AWEZNQCLSA-N 1 2 382.424 2.313 50 0 GEAALO O=C1C[C@@H]([NH2+]Cc2ccco2)C(=O)N1c1ccc(I)cc1 ZINC000018250366 210218761 /nfs/dbraw/zinc/21/87/61/210218761.db2.gz PZVITBXDINSDHY-CYBMUJFWSA-N 1 2 396.184 2.306 50 0 GEAALO COc1ccc(OCC[NH+]2CCN(C(=O)c3ccc4[nH]cnc4c3)CC2)cc1 ZINC000018121211 210214697 /nfs/dbraw/zinc/21/46/97/210214697.db2.gz AHHLUUZGEFMGSD-UHFFFAOYSA-N 1 2 380.448 2.408 50 0 GEAALO C[C@@H](NC(=O)CN1C(=O)COc2ccccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000018047928 210213464 /nfs/dbraw/zinc/21/34/64/210213464.db2.gz WKNGNJDNELKVBT-OAHLLOKOSA-N 1 2 376.416 2.475 50 0 GEAALO Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2)s1 ZINC000016603157 210190150 /nfs/dbraw/zinc/19/01/50/210190150.db2.gz CSNVDTSYMIDSMR-UHFFFAOYSA-N 1 2 379.507 2.245 50 0 GEAALO Cc1cc(-c2ccc(C)c(S(=O)(=O)NCC[C@@H](C)[NH+]3CCOCC3)c2)on1 ZINC000015731013 210165214 /nfs/dbraw/zinc/16/52/14/210165214.db2.gz OBSKQBVIODWPOL-MRXNPFEDSA-N 1 2 393.509 2.348 50 0 GEAALO COc1ccc(CNC(=O)C[C@H]2C(=O)NCC[N@H+]2Cc2ccccc2C)cc1 ZINC000015074661 210150373 /nfs/dbraw/zinc/15/03/73/210150373.db2.gz VLNCLHVOBIBQQL-FQEVSTJZSA-N 1 2 381.476 2.011 50 0 GEAALO COc1ccc(CNC(=O)C[C@H]2C(=O)NCC[N@@H+]2Cc2ccccc2C)cc1 ZINC000015074661 210150376 /nfs/dbraw/zinc/15/03/76/210150376.db2.gz VLNCLHVOBIBQQL-FQEVSTJZSA-N 1 2 381.476 2.011 50 0 GEAALO COc1ccc(C(=O)C2CC[NH+](CC(=O)Nc3ccccc3C(N)=O)CC2)cc1 ZINC000014809395 210129285 /nfs/dbraw/zinc/12/92/85/210129285.db2.gz JSWXXCZGQBKENZ-UHFFFAOYSA-N 1 2 395.459 2.328 50 0 GEAALO COc1ccc([C@H]2C(C(N)=O)=C(C)[NH+]=C3N=C(c4ccccc4)NN32)cc1OC ZINC000013131760 210053710 /nfs/dbraw/zinc/05/37/10/210053710.db2.gz KVZRPRBPGQDWJC-SFHVURJKSA-N 1 2 391.431 2.141 50 0 GEAALO C[N@H+](CCC(=O)Nc1ccc2c(c1)OCCO2)Cc1nc2ccccc2c(=O)[nH]1 ZINC000012986485 210042249 /nfs/dbraw/zinc/04/22/49/210042249.db2.gz NTPJZHBNNNAZBC-UHFFFAOYSA-N 1 2 394.431 2.155 50 0 GEAALO C[N@@H+](CCC(=O)Nc1ccc2c(c1)OCCO2)Cc1nc2ccccc2c(=O)[nH]1 ZINC000012986485 210042252 /nfs/dbraw/zinc/04/22/52/210042252.db2.gz NTPJZHBNNNAZBC-UHFFFAOYSA-N 1 2 394.431 2.155 50 0 GEAALO O=C(NCc1ccc2c(c1)OCO2)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000012951876 210035938 /nfs/dbraw/zinc/03/59/38/210035938.db2.gz LXPGSMLJHYQDAU-GOSISDBHSA-N 1 2 383.448 2.288 50 0 GEAALO CC1=C(C(N)=O)[C@H](c2cccc(Cl)c2Cl)N2NC(CCCO)=[NH+]C2=N1 ZINC000004294231 531513451 /nfs/dbraw/zinc/51/34/51/531513451.db2.gz ASINVGBPCCWTET-AWEZNQCLSA-N 1 2 382.251 2.155 50 0 GEAALO CC[N@H+](CC(=O)NC(C)C)CC(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000008718957 531546498 /nfs/dbraw/zinc/54/64/98/531546498.db2.gz TWGDTSAZDXGWLQ-ZDUSSCGKSA-N 1 2 384.318 2.473 50 0 GEAALO CC[N@@H+](CC(=O)NC(C)C)CC(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000008718957 531546505 /nfs/dbraw/zinc/54/65/05/531546505.db2.gz TWGDTSAZDXGWLQ-ZDUSSCGKSA-N 1 2 384.318 2.473 50 0 GEAALO Cc1cc2[nH+]cn(-c3ccc(S(C)(=O)=O)cc3S(C)(=O)=O)c2cc1C ZINC000032843081 531657630 /nfs/dbraw/zinc/65/76/30/531657630.db2.gz DVLGFMSGFHAVLP-UHFFFAOYSA-N 1 2 378.475 2.449 50 0 GEAALO CC[C@@H](C)NC(=O)C[NH+]1CCN(Cc2cc(Br)ccc2OC)CC1 ZINC000044743136 531686359 /nfs/dbraw/zinc/68/63/59/531686359.db2.gz XBTBMSAKFYVZQD-CQSZACIVSA-N 1 2 398.345 2.490 50 0 GEAALO C[C@H](C[NH+]1CCOCC1)NC(=O)c1cnc2ccc(Br)cc2c1O ZINC000170594478 531884733 /nfs/dbraw/zinc/88/47/33/531884733.db2.gz WKZYRAHANNTUIG-LLVKDONJSA-N 1 2 394.269 2.153 50 0 GEAALO COc1c(Br)c(C(=O)N2CC[NH+](Cc3ccccc3)CC2)nn1C ZINC000096182459 531934155 /nfs/dbraw/zinc/93/41/55/531934155.db2.gz IDTBDRBAYIIHDV-UHFFFAOYSA-N 1 2 393.285 2.149 50 0 GEAALO Cc1nc(-n2cccn2)cc(N2CCN(C(=O)c3c[nH]c4ccccc43)CC2)[nH+]1 ZINC000035597270 209771373 /nfs/dbraw/zinc/77/13/73/209771373.db2.gz VDWQCDXUWISPNW-UHFFFAOYSA-N 1 2 387.447 2.414 50 0 GEAALO O=S(=O)(c1ccccc1C(F)(F)F)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000173752407 532031408 /nfs/dbraw/zinc/03/14/08/532031408.db2.gz HNOSGEWUDJVHPU-ZDUSSCGKSA-N 1 2 378.416 2.191 50 0 GEAALO C[C@@H]1CCCC[N@@H+]1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1CCc1ccccc1 ZINC000002330448 209357964 /nfs/dbraw/zinc/35/79/64/209357964.db2.gz LUNAPIQNCVVJLA-MRXNPFEDSA-N 1 2 395.507 2.051 50 0 GEAALO C[C@@H]1CCCC[N@H+]1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1CCc1ccccc1 ZINC000002330448 209357967 /nfs/dbraw/zinc/35/79/67/209357967.db2.gz LUNAPIQNCVVJLA-MRXNPFEDSA-N 1 2 395.507 2.051 50 0 GEAALO CCn1cc(C(=O)NCC(C)C)c(=O)c2cc(F)c(N3CC[NH+](C)CC3)cc21 ZINC000002269962 209353546 /nfs/dbraw/zinc/35/35/46/209353546.db2.gz IUMIFLORYXSKDX-UHFFFAOYSA-N 1 2 388.487 2.298 50 0 GEAALO COc1ccccc1N1C(=O)C[C@H]([N@@H+]2CCc3cc(OC)c(OC)cc3C2)C1=O ZINC000100793526 209243408 /nfs/dbraw/zinc/24/34/08/209243408.db2.gz PTJBROLSWPRGPA-KRWDZBQOSA-N 1 2 396.443 2.403 50 0 GEAALO COc1ccccc1N1C(=O)C[C@H]([N@H+]2CCc3cc(OC)c(OC)cc3C2)C1=O ZINC000100793526 209243412 /nfs/dbraw/zinc/24/34/12/209243412.db2.gz PTJBROLSWPRGPA-KRWDZBQOSA-N 1 2 396.443 2.403 50 0 GEAALO O=C(CC[C@H]1CCCN(C(=O)Nc2ccccc2)C1)NCC[NH+]1CCOCC1 ZINC000065136830 209216706 /nfs/dbraw/zinc/21/67/06/209216706.db2.gz MCJUUQDOKHQGSJ-GOSISDBHSA-N 1 2 388.512 2.159 50 0 GEAALO COc1cccc(CC2=NO[C@@H](C(=O)N3CCN(c4cccc[nH+]4)CC3)C2)c1 ZINC000299801402 212040315 /nfs/dbraw/zinc/04/03/15/212040315.db2.gz YCEZYZXXCDRVLJ-LJQANCHMSA-N 1 2 380.448 2.126 50 0 GEAALO COc1cc(Br)c(CNC[C@@H]2C[N@@H+](C3CC3)CCO2)cc1OC ZINC000106379465 209160741 /nfs/dbraw/zinc/16/07/41/209160741.db2.gz QULDFMAVXKCNLK-CQSZACIVSA-N 1 2 385.302 2.419 50 0 GEAALO COc1cc(Br)c(CNC[C@@H]2C[N@H+](C3CC3)CCO2)cc1OC ZINC000106379465 209160744 /nfs/dbraw/zinc/16/07/44/209160744.db2.gz QULDFMAVXKCNLK-CQSZACIVSA-N 1 2 385.302 2.419 50 0 GEAALO Cc1ccc(OCC[N@H+]2CCn3nc([C@H](O)c4nccn4C)cc3C2)cc1C ZINC000220363504 211784613 /nfs/dbraw/zinc/78/46/13/211784613.db2.gz USUXFRFOSWTDEG-FQEVSTJZSA-N 1 2 381.480 2.210 50 0 GEAALO Cc1ccc(OCC[N@@H+]2CCn3nc([C@H](O)c4nccn4C)cc3C2)cc1C ZINC000220363504 211784618 /nfs/dbraw/zinc/78/46/18/211784618.db2.gz USUXFRFOSWTDEG-FQEVSTJZSA-N 1 2 381.480 2.210 50 0 GEAALO O=C(Cn1c(=O)cnc2ccccc21)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000096536625 211343893 /nfs/dbraw/zinc/34/38/93/211343893.db2.gz BEJVPNQJGNISQO-TWGQIWQCSA-N 1 2 388.471 2.254 50 0 GEAALO COc1ccc(OCC[NH+]2CCN(Cc3nc(-c4ccccn4)no3)CC2)cc1 ZINC000096307013 211332914 /nfs/dbraw/zinc/33/29/14/211332914.db2.gz BBWURKPLLYZXPT-UHFFFAOYSA-N 1 2 395.463 2.337 50 0 GEAALO Cn1c(C[NH+]2CCCC2)nnc1C1CC[NH+](Cc2ccccc2C(=O)[O-])CC1 ZINC000096162641 211313335 /nfs/dbraw/zinc/31/33/35/211313335.db2.gz BOMYEMPJFXPDGQ-UHFFFAOYSA-N 1 2 383.496 2.489 50 0 GEAALO CCn1cc(C(=O)N2CCc3[nH]c[nH+]c3C2)c(=O)c2cc(F)c(F)c(F)c21 ZINC000096148358 211310011 /nfs/dbraw/zinc/31/00/11/211310011.db2.gz WRTRKIYYOSDCRL-UHFFFAOYSA-N 1 2 376.338 2.360 50 0 GEAALO CCn1cc(C(=O)N2CCc3[nH+]c[nH]c3C2)c(=O)c2cc(F)c(F)c(F)c21 ZINC000096148358 211310014 /nfs/dbraw/zinc/31/00/14/211310014.db2.gz WRTRKIYYOSDCRL-UHFFFAOYSA-N 1 2 376.338 2.360 50 0 GEAALO COCC(C)(C)C(=O)N1CCC(c2nnc(Cn3cc[nH+]c3)n2C2CC2)CC1 ZINC000096141667 211307669 /nfs/dbraw/zinc/30/76/69/211307669.db2.gz XCZHYTSYNQNHMF-UHFFFAOYSA-N 1 2 386.500 2.236 50 0 GEAALO CCNC(=O)[C@@H]1C[C@H](NC(=O)Cc2ccsc2)C[N@@H+]1Cc1ccc(C)o1 ZINC000096140232 211306522 /nfs/dbraw/zinc/30/65/22/211306522.db2.gz KYSLDCFVHPHSSE-RDJZCZTQSA-N 1 2 375.494 2.087 50 0 GEAALO CCNC(=O)[C@@H]1C[C@H](NC(=O)Cc2ccsc2)C[N@H+]1Cc1ccc(C)o1 ZINC000096140232 211306526 /nfs/dbraw/zinc/30/65/26/211306526.db2.gz KYSLDCFVHPHSSE-RDJZCZTQSA-N 1 2 375.494 2.087 50 0 GEAALO O=C(NC1CC[NH+](CN2C[C@H](c3ccccn3)CC2=O)CC1)c1cccs1 ZINC000095959176 211287293 /nfs/dbraw/zinc/28/72/93/211287293.db2.gz OFUVJFAYMIOLTD-OAHLLOKOSA-N 1 2 384.505 2.311 50 0 GEAALO O=C(c1nnc2n1CCCC2)N1CCC[C@H](c2[nH+]ccn2Cc2ccncc2)C1 ZINC000095531460 211274239 /nfs/dbraw/zinc/27/42/39/211274239.db2.gz RPMZNPVVPRLYAE-KRWDZBQOSA-N 1 2 391.479 2.274 50 0 GEAALO COc1ccc(C(=O)N2CCCC2)c(OC2CC[NH+](Cc3nncn3C)CC2)c1 ZINC000095528065 211273218 /nfs/dbraw/zinc/27/32/18/211273218.db2.gz DFLZQMDQYHJTLI-UHFFFAOYSA-N 1 2 399.495 2.103 50 0 GEAALO CCC(=O)N1CCc2[nH]c[nH+]c2C12CCN(C(=O)c1cc(C3CC3)no1)CC2 ZINC000095526365 211271625 /nfs/dbraw/zinc/27/16/25/211271625.db2.gz DSNRRSADSPTGDZ-UHFFFAOYSA-N 1 2 383.452 2.201 50 0 GEAALO Cc1[nH+]c2ccccc2n1CC(=O)N1C[C@@H]2c3ccccc3OC[C@]2(CO)C1 ZINC000095522278 211268245 /nfs/dbraw/zinc/26/82/45/211268245.db2.gz BAUFGMGVTDCNJG-VGOFRKELSA-N 1 2 377.444 2.342 50 0 GEAALO Cc1noc(C)c1C(=O)N1CCC2(CC1)c1[nH+]c[nH]c1CCN2C(=O)C1CCC1 ZINC000095519911 211268264 /nfs/dbraw/zinc/26/82/64/211268264.db2.gz GFFTVFZSOBHWPO-UHFFFAOYSA-N 1 2 397.479 2.331 50 0 GEAALO O=C(c1cc(C2CC2)no1)N1CCC2(CC1)c1[nH+]c[nH]c1CCN2C(=O)C1CC1 ZINC000095517791 211264745 /nfs/dbraw/zinc/26/47/45/211264745.db2.gz CUVUCVWLKQBGQF-UHFFFAOYSA-N 1 2 395.463 2.201 50 0 GEAALO CSCc1noc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3Cc2cscn2)n1 ZINC000095519036 211264347 /nfs/dbraw/zinc/26/43/47/211264347.db2.gz YVXGBZFXJDBSTF-WCQYABFASA-N 1 2 379.511 2.012 50 0 GEAALO CSCc1noc(C[N@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3Cc2cscn2)n1 ZINC000095519036 211264352 /nfs/dbraw/zinc/26/43/52/211264352.db2.gz YVXGBZFXJDBSTF-WCQYABFASA-N 1 2 379.511 2.012 50 0 GEAALO COCCn1ccnc1[C@@H]1CCCN(C(=O)Cc2c[nH+]c3c(C)cccn23)C1 ZINC000095499745 211252606 /nfs/dbraw/zinc/25/26/06/211252606.db2.gz AKNSZICZJZNOQG-QGZVFWFLSA-N 1 2 381.480 2.434 50 0 GEAALO COc1ccc(-c2cc(C(=O)N3CC[NH+](CCc4ccccn4)CC3)[nH]n2)cc1 ZINC000095477728 211249324 /nfs/dbraw/zinc/24/93/24/211249324.db2.gz FMQUIEODUXKOEL-UHFFFAOYSA-N 1 2 391.475 2.481 50 0 GEAALO O=C(COc1coc(C[NH+]2CCSCC2)cc1=O)NCc1ccccc1F ZINC000095481554 211249265 /nfs/dbraw/zinc/24/92/65/211249265.db2.gz UPANIJGPFYFQAK-UHFFFAOYSA-N 1 2 392.452 2.023 50 0 GEAALO O=C(Nc1nc(-c2cccnc2)cs1)NC1CC[NH+]([C@@H]2CCOC2=O)CC1 ZINC000095467234 211245449 /nfs/dbraw/zinc/24/54/49/211245449.db2.gz VBFQBXQSKLPFOE-OAHLLOKOSA-N 1 2 387.465 2.107 50 0 GEAALO CC(C)[N@@H+](CC(=O)Nc1cc(S(C)(=O)=O)ccc1F)C[C@H]1CCCCO1 ZINC000095455741 211243109 /nfs/dbraw/zinc/24/31/09/211243109.db2.gz YMNGUXFMKVGJAZ-CQSZACIVSA-N 1 2 386.489 2.447 50 0 GEAALO CC(C)[N@H+](CC(=O)Nc1cc(S(C)(=O)=O)ccc1F)C[C@H]1CCCCO1 ZINC000095455741 211243113 /nfs/dbraw/zinc/24/31/13/211243113.db2.gz YMNGUXFMKVGJAZ-CQSZACIVSA-N 1 2 386.489 2.447 50 0 GEAALO O=C(N[C@H](CN1CCOCC1)c1ccccc1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000095458335 211242180 /nfs/dbraw/zinc/24/21/80/211242180.db2.gz IQNNOICLUOENKM-HXUWFJFHSA-N 1 2 377.448 2.071 50 0 GEAALO Cc1ccc([C@@H](C(=O)[O-])[NH+]2CCC(C(N)=O)([NH+]3CCCCC3)CC2)c(F)c1 ZINC000095376229 211229379 /nfs/dbraw/zinc/22/93/79/211229379.db2.gz XYRDPIVLSUSKOT-KRWDZBQOSA-N 1 2 377.460 2.066 50 0 GEAALO NC(=O)c1cc2c([nH+]c1N1CC[C@]3(C1)CCCN(CC1CCC1)C3=O)CCC2 ZINC000095375342 211229421 /nfs/dbraw/zinc/22/94/21/211229421.db2.gz WNQJSMHJXGKMBO-QFIPXVFZSA-N 1 2 382.508 2.288 50 0 GEAALO CCCc1cc(C(=O)N2CCC[C@@H](c3nnc(Cn4cc[nH+]c4)n3C)C2)no1 ZINC000095369912 211227869 /nfs/dbraw/zinc/22/78/69/211227869.db2.gz LYSFRIOANCIIJR-CQSZACIVSA-N 1 2 383.456 2.020 50 0 GEAALO C[C@@]1(C(=O)N2CCC3(CCC(=O)N(CCCn4cc[nH+]c4)C3)CC2)CCCO1 ZINC000092022537 211212956 /nfs/dbraw/zinc/21/29/56/211212956.db2.gz XTINTHJSLRANKZ-FQEVSTJZSA-N 1 2 388.512 2.074 50 0 GEAALO Cc1oncc1C(=O)N1CCC2(CC1)c1[nH+]c[nH]c1CCN2C(=O)C1CCC1 ZINC000091679281 211203040 /nfs/dbraw/zinc/20/30/40/211203040.db2.gz YQISBKVOVWMTLP-UHFFFAOYSA-N 1 2 383.452 2.022 50 0 GEAALO O=C(c1ccc(-c2cc[nH]n2)cc1)N1CC[N@H+](Cc2ccoc2)[C@@H](CCO)C1 ZINC000091645882 211201515 /nfs/dbraw/zinc/20/15/15/211201515.db2.gz DGNKEZSVCLLPSJ-IBGZPJMESA-N 1 2 380.448 2.379 50 0 GEAALO O=C(c1ccc(-c2cc[nH]n2)cc1)N1CC[N@@H+](Cc2ccoc2)[C@@H](CCO)C1 ZINC000091645882 211201518 /nfs/dbraw/zinc/20/15/18/211201518.db2.gz DGNKEZSVCLLPSJ-IBGZPJMESA-N 1 2 380.448 2.379 50 0 GEAALO CNc1ncc(C(=O)N2CCC(c3[nH+]ccn3Cc3ccccn3)CC2)cn1 ZINC000091625572 211199153 /nfs/dbraw/zinc/19/91/53/211199153.db2.gz IRINKFQMBZLPMD-UHFFFAOYSA-N 1 2 377.452 2.178 50 0 GEAALO CCCSCC(=O)N1CCC[C@@]2(CCC(=O)N(CCc3c[nH]c[nH+]3)C2)C1 ZINC000091846997 211207063 /nfs/dbraw/zinc/20/70/63/211207063.db2.gz XRYXPKWXYDQYCW-LJQANCHMSA-N 1 2 378.542 2.327 50 0 GEAALO CCCSCC(=O)N1CCC[C@@]2(CCC(=O)N(CCc3c[nH+]c[nH]3)C2)C1 ZINC000091846997 211207059 /nfs/dbraw/zinc/20/70/59/211207059.db2.gz XRYXPKWXYDQYCW-LJQANCHMSA-N 1 2 378.542 2.327 50 0 GEAALO Cc1cccc(C(=O)N2CCC3(CC2)c2[nH+]c[nH]c2CCN3C(=O)C2CC2)n1 ZINC000091746688 211206103 /nfs/dbraw/zinc/20/61/03/211206103.db2.gz PZVZLPFDSAYBHL-UHFFFAOYSA-N 1 2 379.464 2.039 50 0 GEAALO CCS[C@@H](C)C(=O)N1CCC2(CCC(=O)N(CCc3c[nH+]c[nH]3)C2)CC1 ZINC000091306210 211189758 /nfs/dbraw/zinc/18/97/58/211189758.db2.gz OPYDRSXHOREXJL-HNNXBMFYSA-N 1 2 378.542 2.325 50 0 GEAALO CCS[C@@H](C)C(=O)N1CCC2(CCC(=O)N(CCc3c[nH]c[nH+]3)C2)CC1 ZINC000091306210 211189763 /nfs/dbraw/zinc/18/97/63/211189763.db2.gz OPYDRSXHOREXJL-HNNXBMFYSA-N 1 2 378.542 2.325 50 0 GEAALO CC(=O)c1ccccc1C(=O)N1CCC2(CC1)c1[nH+]c[nH]c1CCN2C(C)=O ZINC000091254457 211187771 /nfs/dbraw/zinc/18/77/71/211187771.db2.gz MXQPZQIMVIFABI-UHFFFAOYSA-N 1 2 380.448 2.148 50 0 GEAALO O=C(NC[C@@H](O)C[NH+]1CCOCC1)c1cc2ccccc2n1Cc1ccccc1 ZINC000089841002 211185576 /nfs/dbraw/zinc/18/55/76/211185576.db2.gz VYUCQDMCUWPCPH-HXUWFJFHSA-N 1 2 393.487 2.113 50 0 GEAALO O=C(C[N@H+]1CCCC[C@@H]1[C@H](O)C(F)(F)F)NC[C@H]1CCN(c2ccccc2)C1 ZINC000089845591 211184870 /nfs/dbraw/zinc/18/48/70/211184870.db2.gz MTDGLCYDHARZGY-SUMDDJOVSA-N 1 2 399.457 2.407 50 0 GEAALO O=C(C[N@@H+]1CCCC[C@@H]1[C@H](O)C(F)(F)F)NC[C@H]1CCN(c2ccccc2)C1 ZINC000089845591 211184872 /nfs/dbraw/zinc/18/48/72/211184872.db2.gz MTDGLCYDHARZGY-SUMDDJOVSA-N 1 2 399.457 2.407 50 0 GEAALO O=C(c1cccnc1)N1CCC2(CC1)c1[nH+]c[nH]c1CCN2C(=O)C1CCC1 ZINC000091475127 211193557 /nfs/dbraw/zinc/19/35/57/211193557.db2.gz DMKLPNIGMFZZHM-UHFFFAOYSA-N 1 2 379.464 2.121 50 0 GEAALO O=C(NCc1ccco1)N1CCC[C@@]2(CCC(=O)N(CCc3c[nH+]c[nH]3)C2)C1 ZINC000082121754 211161259 /nfs/dbraw/zinc/16/12/59/211161259.db2.gz PQEHQKBUYUKNBB-FQEVSTJZSA-N 1 2 385.468 2.160 50 0 GEAALO O=C(NCc1ccco1)N1CCC[C@@]2(CCC(=O)N(CCc3c[nH]c[nH+]3)C2)C1 ZINC000082121754 211161264 /nfs/dbraw/zinc/16/12/64/211161264.db2.gz PQEHQKBUYUKNBB-FQEVSTJZSA-N 1 2 385.468 2.160 50 0 GEAALO CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]21 ZINC000079051901 211152688 /nfs/dbraw/zinc/15/26/88/211152688.db2.gz FRUKEBIQSDHFAT-RYUDHWBXSA-N 1 2 379.482 2.016 50 0 GEAALO CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)C[N@H+]1C[C@@H]2CCC[C@@H]21 ZINC000079051901 211152690 /nfs/dbraw/zinc/15/26/90/211152690.db2.gz FRUKEBIQSDHFAT-RYUDHWBXSA-N 1 2 379.482 2.016 50 0 GEAALO CCn1c(C[NH+](C)C)nnc1C1CCN(C(=O)Cc2csc(C)n2)CC1 ZINC000077458618 211135127 /nfs/dbraw/zinc/13/51/27/211135127.db2.gz KRIFUFIBNPTOII-UHFFFAOYSA-N 1 2 376.530 2.073 50 0 GEAALO CC(=O)N1CCc2c([nH+]c(N(C)C)nc2NCc2ccc3nsnc3c2)C1 ZINC000077406993 211132817 /nfs/dbraw/zinc/13/28/17/211132817.db2.gz OZFQEKBMXMWCBG-UHFFFAOYSA-N 1 2 383.481 2.064 50 0 GEAALO CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccc2[nH]c3c(c2c1)CCCC3 ZINC000077392984 211131993 /nfs/dbraw/zinc/13/19/93/211131993.db2.gz WIGOOWMPLBYREA-FQEVSTJZSA-N 1 2 379.464 2.133 50 0 GEAALO CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCc1ccc2[nH]c3c(c2c1)CCCC3 ZINC000077392984 211131997 /nfs/dbraw/zinc/13/19/97/211131997.db2.gz WIGOOWMPLBYREA-FQEVSTJZSA-N 1 2 379.464 2.133 50 0 GEAALO CCOc1ccc(C[N@@H+]2CCN(C(=O)c3ccc(O)cc3)C[C@@H]2CCO)cc1 ZINC000072418708 211115654 /nfs/dbraw/zinc/11/56/54/211115654.db2.gz QNQCDSIZEKPYKT-IBGZPJMESA-N 1 2 384.476 2.500 50 0 GEAALO CCOc1ccc(C[N@H+]2CCN(C(=O)c3ccc(O)cc3)C[C@@H]2CCO)cc1 ZINC000072418708 211115656 /nfs/dbraw/zinc/11/56/56/211115656.db2.gz QNQCDSIZEKPYKT-IBGZPJMESA-N 1 2 384.476 2.500 50 0 GEAALO CC(C)[C@H]1CN(C(=O)c2csc(C[NH+](C)C)n2)CCC(=O)N1CC1CC1 ZINC000072154731 211078545 /nfs/dbraw/zinc/07/85/45/211078545.db2.gz FDICPWKCNSIKGC-MRXNPFEDSA-N 1 2 378.542 2.314 50 0 GEAALO O=C(CSc1nncs1)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000071820116 211063882 /nfs/dbraw/zinc/06/38/82/211063882.db2.gz MBIMWOIZCGBYBJ-UHFFFAOYSA-N 1 2 384.284 2.357 50 0 GEAALO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)c2cccnc2Oc2ccccc2)CC1 ZINC000069324699 211035767 /nfs/dbraw/zinc/03/57/67/211035767.db2.gz FDVUSKCEHLAVDZ-UHFFFAOYSA-N 1 2 382.464 2.110 50 0 GEAALO CN(C)C(=O)C[N@H+]1CCCN(C(=O)c2cccnc2Oc2ccccc2)CC1 ZINC000069324699 211035769 /nfs/dbraw/zinc/03/57/69/211035769.db2.gz FDVUSKCEHLAVDZ-UHFFFAOYSA-N 1 2 382.464 2.110 50 0 GEAALO Cc1cc2[nH+]cn(Cc3cc(C(=O)N[C@H](C)c4nncn4C)[nH]n3)c2cc1C ZINC000067908159 211029667 /nfs/dbraw/zinc/02/96/67/211029667.db2.gz XXYNZZLIRYBRHD-CYBMUJFWSA-N 1 2 378.440 2.044 50 0 GEAALO Cc1c[nH+]c(C)nc1N1CCC([C@@]2(Cc3ccccc3)NC(=O)NC2=O)CC1 ZINC000067867447 211027810 /nfs/dbraw/zinc/02/78/10/211027810.db2.gz DFDWDPDRIIVIEB-OAQYLSRUSA-N 1 2 379.464 2.131 50 0 GEAALO Cc1nn(C)c(C)c1C(=O)NCc1ccc[nH+]c1N(C)CCc1ccccn1 ZINC000067788753 211021655 /nfs/dbraw/zinc/02/16/55/211021655.db2.gz KSEAFRXKLWKERV-UHFFFAOYSA-N 1 2 378.480 2.436 50 0 GEAALO CCc1noc(C[N@H+](C)C[C@]2(O)CCCN(CCC3CCCCC3)C2=O)n1 ZINC000067755752 211018424 /nfs/dbraw/zinc/01/84/24/211018424.db2.gz ZJAFVGCXQHAFIK-HXUWFJFHSA-N 1 2 378.517 2.388 50 0 GEAALO CCc1noc(C[N@@H+](C)C[C@]2(O)CCCN(CCC3CCCCC3)C2=O)n1 ZINC000067755752 211018429 /nfs/dbraw/zinc/01/84/29/211018429.db2.gz ZJAFVGCXQHAFIK-HXUWFJFHSA-N 1 2 378.517 2.388 50 0 GEAALO CN(C[C@H]1COc2ccccc2O1)C(=O)c1ccc(NCc2[nH]cc[nH+]2)nc1 ZINC000067673257 211015707 /nfs/dbraw/zinc/01/57/07/211015707.db2.gz JBPWBERRIGKMEL-HNNXBMFYSA-N 1 2 379.420 2.329 50 0 GEAALO CN(Cc1[nH]cc[nH+]1)C(=O)c1coc(CN2CCN(c3ccccc3F)CC2)n1 ZINC000067804260 211022333 /nfs/dbraw/zinc/02/23/33/211022333.db2.gz XTWKTHJPIXQJDF-UHFFFAOYSA-N 1 2 398.442 2.131 50 0 GEAALO Nc1ccc(-c2ccc(C(=O)N3CCC(CN4CCCC4=O)CC3)cn2)c[nH+]1 ZINC000067459084 211010528 /nfs/dbraw/zinc/01/05/28/211010528.db2.gz BHABJMSLFIDDBI-UHFFFAOYSA-N 1 2 379.464 2.200 50 0 GEAALO Cc1nc(C)c(CC(=O)NCc2ccc[nH+]c2N2CCCCCCC2)c(=O)[nH]1 ZINC000067432197 211010263 /nfs/dbraw/zinc/01/02/63/211010263.db2.gz UCKNRRAHKXFOPF-UHFFFAOYSA-N 1 2 383.496 2.411 50 0 GEAALO CN(c1ccc(F)cc1)S(=O)(=O)c1cccc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000067629857 211013749 /nfs/dbraw/zinc/01/37/49/211013749.db2.gz DPWAIAPVIICUIF-UHFFFAOYSA-N 1 2 391.468 2.038 50 0 GEAALO Cc1ccc(OCC(=O)N2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)cc1 ZINC000023786948 210453265 /nfs/dbraw/zinc/45/32/65/210453265.db2.gz UMXGSXYRLLVPGV-UHFFFAOYSA-N 1 2 382.460 2.489 50 0 GEAALO Cc1nn(CC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)c(=O)c2ccccc12 ZINC000021303878 210379324 /nfs/dbraw/zinc/37/93/24/210379324.db2.gz VKVYPNQZEUOOBJ-UHFFFAOYSA-N 1 2 387.443 2.266 50 0 GEAALO CN(Cc1ccccc1)c1[nH+]cccc1CNC(=O)[C@H]1CC(=O)N(C2CC2)C1 ZINC000020999318 210373910 /nfs/dbraw/zinc/37/39/10/210373910.db2.gz RQOVARFQYJVDGN-SFHVURJKSA-N 1 2 378.476 2.345 50 0 GEAALO CCOC(=O)CN1CCC[C@@H]1c1ccc(C(=O)NCCCn2cc[nH+]c2)s1 ZINC000020864813 210364171 /nfs/dbraw/zinc/36/41/71/210364171.db2.gz KKCUEPVHBVESJA-OAHLLOKOSA-N 1 2 390.509 2.465 50 0 GEAALO C[N@@H+]1CCc2c(sc3nc(NCCO)n(-c4ccc(Cl)cc4)c(=O)c23)C1 ZINC000020567567 210347654 /nfs/dbraw/zinc/34/76/54/210347654.db2.gz SUMZVCMASQINJU-UHFFFAOYSA-N 1 2 390.896 2.493 50 0 GEAALO C[N@H+]1CCc2c(sc3nc(NCCO)n(-c4ccc(Cl)cc4)c(=O)c23)C1 ZINC000020567567 210347656 /nfs/dbraw/zinc/34/76/56/210347656.db2.gz SUMZVCMASQINJU-UHFFFAOYSA-N 1 2 390.896 2.493 50 0 GEAALO O=C(N(CC[NH+]1CCOCC1)Cc1cccc2ccccc21)N1CCOCC1 ZINC000020502987 210343888 /nfs/dbraw/zinc/34/38/88/210343888.db2.gz UZKYPOSVKXTXNI-UHFFFAOYSA-N 1 2 383.492 2.426 50 0 GEAALO CCC(NCC[NH+]1CCCCC1)=C1C(=O)NC(=O)N(c2ccc(C)cc2)C1=O ZINC000020290199 210327416 /nfs/dbraw/zinc/32/74/16/210327416.db2.gz SECNXXHSJOLKDN-ISLYRVAYSA-N 1 2 384.480 2.317 50 0 GEAALO COc1ccc(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c(OC)c1 ZINC000020229017 210324392 /nfs/dbraw/zinc/32/43/92/210324392.db2.gz CBBTXTKSUFAKKG-UHFFFAOYSA-N 1 2 384.432 2.391 50 0 GEAALO O=c1ccc2cc(S(=O)(=O)N3CC[NH+](Cc4ccccc4)CC3)ccc2o1 ZINC000020051350 210313875 /nfs/dbraw/zinc/31/38/75/210313875.db2.gz FMWUXSHAYOIUKT-UHFFFAOYSA-N 1 2 384.457 2.300 50 0 GEAALO CC(=O)Nc1ccc(CN2CC[N@H+](Cc3cccc(C)n3)[C@@H](CCO)C2)cc1 ZINC000019837079 210301391 /nfs/dbraw/zinc/30/13/91/210301391.db2.gz DFJYAGDOPQBVNS-QFIPXVFZSA-N 1 2 382.508 2.417 50 0 GEAALO CC(=O)Nc1ccc(CN2CC[N@@H+](Cc3cccc(C)n3)[C@@H](CCO)C2)cc1 ZINC000019837079 210301395 /nfs/dbraw/zinc/30/13/95/210301395.db2.gz DFJYAGDOPQBVNS-QFIPXVFZSA-N 1 2 382.508 2.417 50 0 GEAALO Cc1ncc2c(c1-c1noc([C@@H]3CCC[N@H+]3C)n1)CCN(C(=O)c1cnc[nH]1)C2 ZINC000019792516 210298464 /nfs/dbraw/zinc/29/84/64/210298464.db2.gz DUVQLPRXWHKKQV-INIZCTEOSA-N 1 2 393.451 2.128 50 0 GEAALO Cc1ncc2c(c1-c1noc([C@@H]3CCC[N@@H+]3C)n1)CCN(C(=O)c1cnc[nH]1)C2 ZINC000019792516 210298470 /nfs/dbraw/zinc/29/84/70/210298470.db2.gz DUVQLPRXWHKKQV-INIZCTEOSA-N 1 2 393.451 2.128 50 0 GEAALO C[C@@H]1CC(=O)c2cnc(N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)nc2C1 ZINC000019899676 210306446 /nfs/dbraw/zinc/30/64/46/210306446.db2.gz FWRRIXPJVYDZPU-AWEZNQCLSA-N 1 2 380.448 2.293 50 0 GEAALO COc1c(Cl)c(Cl)ccc1S(=O)(=O)NCCC[NH+]1CCOCC1 ZINC000019594625 210274908 /nfs/dbraw/zinc/27/49/08/210274908.db2.gz RSJHLRYTCYHQOH-UHFFFAOYSA-N 1 2 383.297 2.003 50 0 GEAALO CCOc1cc(C)c(Cl)cc1S(=O)(=O)NCCC[NH+]1CCOCC1 ZINC000019619438 210275745 /nfs/dbraw/zinc/27/57/45/210275745.db2.gz RVHLPELGMLYNMF-UHFFFAOYSA-N 1 2 376.906 2.048 50 0 GEAALO Cc1cc(C)c(S(=O)(=O)NCCC[NH+]2CCOCC2)cc1Br ZINC000019619396 210274247 /nfs/dbraw/zinc/27/42/47/210274247.db2.gz LNODDWDJEMYDND-UHFFFAOYSA-N 1 2 391.331 2.067 50 0 GEAALO O=C(NCCn1cc[nH+]c1)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1 ZINC000011819870 221129246 /nfs/dbraw/zinc/12/92/46/221129246.db2.gz RVICRVUZHCYLJA-UHFFFAOYSA-N 1 2 382.464 2.093 50 0 GEAALO C[C@H]1Sc2ccc(C(=O)NCc3ccc(N4CCOCC4)[nH+]c3)cc2NC1=O ZINC000011128690 221111525 /nfs/dbraw/zinc/11/15/25/221111525.db2.gz APQIQLIABPPTKZ-CYBMUJFWSA-N 1 2 398.488 2.281 50 0 GEAALO NC(=O)c1ccccc1NC(=O)c1cn(-c2cc(N3CCCCC3)[nH+]cn2)cn1 ZINC000065239846 136160821 /nfs/dbraw/zinc/16/08/21/136160821.db2.gz RNFPAAFFAYETFO-UHFFFAOYSA-N 1 2 391.435 2.004 50 0 GEAALO O=C(NCc1ccc(Cl)cc1)c1cn(-c2cc(N3CCOCC3)[nH+]cn2)cn1 ZINC000065239957 136161043 /nfs/dbraw/zinc/16/10/43/136161043.db2.gz HACWXVGUVXPXRR-UHFFFAOYSA-N 1 2 398.854 2.082 50 0 GEAALO Cc1ccc(Cl)cc1NC(=O)Cn1ncc2c1nc[nH+]c2N1CCOCC1 ZINC000065295083 136162789 /nfs/dbraw/zinc/16/27/89/136162789.db2.gz FZHSMJWETKROKR-UHFFFAOYSA-N 1 2 386.843 2.263 50 0 GEAALO COc1cccc(CNC(=O)Cn2ncc3c2nc[nH+]c3N2CCCCC2)c1 ZINC000065295047 136162834 /nfs/dbraw/zinc/16/28/34/136162834.db2.gz BXXDNOBZRBSAKP-UHFFFAOYSA-N 1 2 380.452 2.142 50 0 GEAALO CC(=O)c1ccc(N2CC[C@@H]([NH+]3CCN(c4ccccc4F)CC3)[C@H](O)C2)nc1 ZINC000071759889 136166125 /nfs/dbraw/zinc/16/61/25/136166125.db2.gz ZQWBUQYHGSGTAB-NHCUHLMSSA-N 1 2 398.482 2.185 50 0 GEAALO Cn1ncc2c1nc(C1CCCC1)nc2N1CCC(O)(Cn2cc[nH+]c2)CC1 ZINC000072411512 136169712 /nfs/dbraw/zinc/16/97/12/136169712.db2.gz LNOAURJWBZDPFH-UHFFFAOYSA-N 1 2 381.484 2.249 50 0 GEAALO COc1ccc(C(=O)N2CCN(c3cc(-n4c[nH+]c(C)c4C)ncn3)CC2)cc1 ZINC000082230320 136174417 /nfs/dbraw/zinc/17/44/17/136174417.db2.gz OPFRZXVKFFBFFI-UHFFFAOYSA-N 1 2 392.463 2.250 50 0 GEAALO Cc1c[nH+]c(N2CCC3(CCC(=O)N(C[C@H]4CCCO4)C3)CC2)nc1N(C)C ZINC000095354547 136177897 /nfs/dbraw/zinc/17/78/97/136177897.db2.gz PAZQKXJUMFRBCP-QGZVFWFLSA-N 1 2 387.528 2.239 50 0 GEAALO COC(=O)c1ccc(S(=O)(=O)Nc2cc[nH+]cc2N2CCCCC2)c(C)c1 ZINC000096013525 136183204 /nfs/dbraw/zinc/18/32/04/136183204.db2.gz TZZRYMIEDNNKLF-UHFFFAOYSA-N 1 2 389.477 2.390 50 0 GEAALO COc1ccc(/C=C\C(=O)NCc2ccc[nH+]c2N2CCOCC2)cc1OC ZINC000097015875 136188018 /nfs/dbraw/zinc/18/80/18/136188018.db2.gz BNDNEJQBQLNFRK-VURMDHGXSA-N 1 2 383.448 2.265 50 0 GEAALO CCOc1ccc(N2C(=O)C[C@H]([NH+]3CCN(c4ccc(O)cc4)CC3)C2=O)cc1 ZINC000100129839 136189005 /nfs/dbraw/zinc/18/90/05/136189005.db2.gz BZUKUAAKEUSJEF-FQEVSTJZSA-N 1 2 395.459 2.245 50 0 GEAALO Cc1cc(N2CCN(c3ncccc3S(C)(=O)=O)CC2)nc(C(C)C)[nH+]1 ZINC000170601977 136198828 /nfs/dbraw/zinc/19/88/28/136198828.db2.gz MYYFAJIQLDUKQC-UHFFFAOYSA-N 1 2 375.498 2.034 50 0 GEAALO Cc1nc(C)c(C(=O)NCCn2ncc3c2nc[nH+]c3N2CCCCC2)s1 ZINC000016991844 136202064 /nfs/dbraw/zinc/20/20/64/136202064.db2.gz HAAQEKIGGHIFRD-UHFFFAOYSA-N 1 2 385.497 2.320 50 0 GEAALO O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)c1c(O)cc(F)cc1F ZINC000072046044 222203924 /nfs/dbraw/zinc/20/39/24/222203924.db2.gz SQKBDZZMDOLVRF-UHFFFAOYSA-N 1 2 392.402 2.311 50 0 GEAALO CCCc1[nH+]c2ccccc2n1[C@@H](CC)C(=O)N1CCN(c2nc[nH]n2)CC1 ZINC000426475364 528757894 /nfs/dbraw/zinc/75/78/94/528757894.db2.gz FJXQXHDYTFXQHV-INIZCTEOSA-N 1 2 381.484 2.407 50 0 GEAALO CCN1c2ccc(S(=O)(=O)N3CC[NH+](CC)CC3)cc2C(C)(C)CC1=O ZINC000096183055 535725301 /nfs/dbraw/zinc/72/53/01/535725301.db2.gz MDPHBEOCCIKSBM-UHFFFAOYSA-N 1 2 379.526 2.047 50 0 GEAALO COc1ccccc1N1CC[NH+]([C@@H]2CC(=O)N(c3cccc(C)c3)C2=O)CC1 ZINC000096299664 537069291 /nfs/dbraw/zinc/06/92/91/537069291.db2.gz MAUHQJOYYXPURL-LJQANCHMSA-N 1 2 379.460 2.458 50 0 GEAALO Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)c2ccc(NC(N)=O)cc2)cc1 ZINC000012796502 570217702 /nfs/dbraw/zinc/21/77/02/570217702.db2.gz PWDMVROFGFCMPV-IBGZPJMESA-N 1 2 382.464 2.289 50 0 GEAALO COc1ccc(N(CCC(N)=O)C(=O)C[N@@H+]2CCC[C@@H]2c2cc(C)no2)cc1 ZINC000048324382 570235466 /nfs/dbraw/zinc/23/54/66/570235466.db2.gz FHAXEYVXQBLWSJ-QGZVFWFLSA-N 1 2 386.452 2.037 50 0 GEAALO COc1ccc(N(CCC(N)=O)C(=O)C[N@H+]2CCC[C@@H]2c2cc(C)no2)cc1 ZINC000048324382 570235470 /nfs/dbraw/zinc/23/54/70/570235470.db2.gz FHAXEYVXQBLWSJ-QGZVFWFLSA-N 1 2 386.452 2.037 50 0 GEAALO CCN1C[C@@]2(CCCN(C(=O)CC3=CSC4=[NH+]CCCN34)C2)CCC1=O ZINC000102426834 570288830 /nfs/dbraw/zinc/28/88/30/570288830.db2.gz OSXOCUSJKMIZSX-LJQANCHMSA-N 1 2 376.526 2.278 50 0 GEAALO O=S(=O)(N1CCCC1)N1CC[NH+](Cc2ccc([C@H]3CCCO3)s2)CC1 ZINC000215517164 570289280 /nfs/dbraw/zinc/28/92/80/570289280.db2.gz MWQKKXJMAWNVAG-MRXNPFEDSA-N 1 2 385.555 2.058 50 0 GEAALO CC[C@H](C)[N@H+](CC(=O)[O-])CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1 ZINC000236953645 570305936 /nfs/dbraw/zinc/30/59/36/570305936.db2.gz UWUBJOGWANLAHX-SFHVURJKSA-N 1 2 375.513 2.214 50 0 GEAALO CC[C@H](C)[N@@H+](CC(=O)[O-])CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1 ZINC000236953645 570305937 /nfs/dbraw/zinc/30/59/37/570305937.db2.gz UWUBJOGWANLAHX-SFHVURJKSA-N 1 2 375.513 2.214 50 0 GEAALO CC[C@H](C)[NH+](CC(=O)[O-])CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000236953645 570305941 /nfs/dbraw/zinc/30/59/41/570305941.db2.gz UWUBJOGWANLAHX-SFHVURJKSA-N 1 2 375.513 2.214 50 0 GEAALO O=C(NCC[NH+]1CCOCC1)c1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000022226683 570307709 /nfs/dbraw/zinc/30/77/09/570307709.db2.gz QUILTMAVUIEDRS-UHFFFAOYSA-N 1 2 391.475 2.055 50 0 GEAALO COc1ccccc1C[NH+]1CCN(CC(=O)Nc2ccc3nsnc3c2)CC1 ZINC000022752175 570326212 /nfs/dbraw/zinc/32/62/12/570326212.db2.gz GUPFWZLCIXEEQC-UHFFFAOYSA-N 1 2 397.504 2.456 50 0 GEAALO O=C(CN1CC[NH+](Cc2ccc3c(c2)CCO3)CC1)N1CCc2ccccc2C1 ZINC000022805257 570329389 /nfs/dbraw/zinc/32/93/89/570329389.db2.gz KTLLMYBLRFKAKR-UHFFFAOYSA-N 1 2 391.515 2.324 50 0 GEAALO O=C(C[NH+]1CCN(Cc2ccc3c(c2)CCO3)CC1)N1CCc2ccccc2C1 ZINC000022805257 570329393 /nfs/dbraw/zinc/32/93/93/570329393.db2.gz KTLLMYBLRFKAKR-UHFFFAOYSA-N 1 2 391.515 2.324 50 0 GEAALO COc1ccc(C[NH+]2CCN(Cn3ncc4ccccc4c3=O)CC2)cc1F ZINC000022912174 570333740 /nfs/dbraw/zinc/33/37/40/570333740.db2.gz PTIOABPEOLBVSH-UHFFFAOYSA-N 1 2 382.439 2.320 50 0 GEAALO Cc1ccc(NC(=O)CN2CC[NH+]([C@H](C)C(=O)NCc3ccccc3)CC2)cc1 ZINC000022916669 570335119 /nfs/dbraw/zinc/33/51/19/570335119.db2.gz NBXTZKPCKMXHCR-LJQANCHMSA-N 1 2 394.519 2.256 50 0 GEAALO OCCOc1cccc(C[N@@H+]2CCN(Cc3cccs3)[C@@H](CCO)C2)c1 ZINC000022919155 570335646 /nfs/dbraw/zinc/33/56/46/570335646.db2.gz QOQBWOCOOISTOJ-SFHVURJKSA-N 1 2 376.522 2.188 50 0 GEAALO OCCOc1cccc(C[N@H+]2CCN(Cc3cccs3)[C@@H](CCO)C2)c1 ZINC000022919155 570335648 /nfs/dbraw/zinc/33/56/48/570335648.db2.gz QOQBWOCOOISTOJ-SFHVURJKSA-N 1 2 376.522 2.188 50 0 GEAALO Cc1ccc(C(=O)N2CCc3n[nH]c(C(=O)N4CC[NH+](C(C)C)CC4)c3C2)cc1 ZINC000034789990 570336322 /nfs/dbraw/zinc/33/63/22/570336322.db2.gz JJLWUFBVGMPSTC-UHFFFAOYSA-N 1 2 395.507 2.083 50 0 GEAALO Cc1cccc(NC(=O)CN2CC[NH+](CC(=O)N3C[C@H](C)C[C@H](C)C3)CC2)c1 ZINC000022929474 570336827 /nfs/dbraw/zinc/33/68/27/570336827.db2.gz SGGGZNAPLIATQW-KDURUIRLSA-N 1 2 386.540 2.056 50 0 GEAALO O=C(CN1CCN(c2ccccc2)C1=O)N1CCC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000575613781 570339596 /nfs/dbraw/zinc/33/95/96/570339596.db2.gz UCXUCSLSDWFHGF-LJQANCHMSA-N 1 2 380.448 2.394 50 0 GEAALO O=C(NCCCn1cc[nH+]c1)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1 ZINC000023129109 570345150 /nfs/dbraw/zinc/34/51/50/570345150.db2.gz BVEQSGXBJXNENG-UHFFFAOYSA-N 1 2 396.491 2.483 50 0 GEAALO Cn1cc[nH+]c1CN(CCO)Cc1cccc(-c2nc(C(C)(C)C)cc(=O)[nH]2)c1 ZINC000023129283 570345772 /nfs/dbraw/zinc/34/57/72/570345772.db2.gz QNYJRXSOXFGRPP-UHFFFAOYSA-N 1 2 395.507 2.462 50 0 GEAALO Cn1ccnc1C[N@H+](CCO)Cc1cccc(-c2nc(C(C)(C)C)cc(=O)[nH]2)c1 ZINC000023129283 570345773 /nfs/dbraw/zinc/34/57/73/570345773.db2.gz QNYJRXSOXFGRPP-UHFFFAOYSA-N 1 2 395.507 2.462 50 0 GEAALO Cn1ccnc1C[N@@H+](CCO)Cc1cccc(-c2nc(C(C)(C)C)cc(=O)[nH]2)c1 ZINC000023129283 570345775 /nfs/dbraw/zinc/34/57/75/570345775.db2.gz QNYJRXSOXFGRPP-UHFFFAOYSA-N 1 2 395.507 2.462 50 0 GEAALO COc1cc(C[N@@H+]2Cc3ccccc3C[C@@H]2C(=O)N2CCOCC2)ccc1O ZINC000023336436 570355011 /nfs/dbraw/zinc/35/50/11/570355011.db2.gz KWNYBKVJYXWORR-LJQANCHMSA-N 1 2 382.460 2.187 50 0 GEAALO COc1cc(C[N@H+]2Cc3ccccc3C[C@@H]2C(=O)N2CCOCC2)ccc1O ZINC000023336436 570355012 /nfs/dbraw/zinc/35/50/12/570355012.db2.gz KWNYBKVJYXWORR-LJQANCHMSA-N 1 2 382.460 2.187 50 0 GEAALO COC(=O)C[C@@H](c1cccc(O)c1)c1c(O)cc(C)n(CCc2c[nH+]c[nH]2)c1=O ZINC000604405944 570358118 /nfs/dbraw/zinc/35/81/18/570358118.db2.gz UPFZTHUJNDPRRE-KRWDZBQOSA-N 1 2 397.431 2.229 50 0 GEAALO COC(=O)C[C@@H](c1cccc(O)c1)c1c(O)cc(C)n(CCc2c[nH]c[nH+]2)c1=O ZINC000604405944 570358120 /nfs/dbraw/zinc/35/81/20/570358120.db2.gz UPFZTHUJNDPRRE-KRWDZBQOSA-N 1 2 397.431 2.229 50 0 GEAALO O[C@@H]1CC[N@H+](Cc2cn(CC3CCN(c4nc5ccccc5s4)CC3)nn2)C1 ZINC000023380350 570359431 /nfs/dbraw/zinc/35/94/31/570359431.db2.gz JRXCHTCNDVYETN-QGZVFWFLSA-N 1 2 398.536 2.371 50 0 GEAALO O[C@@H]1CC[N@@H+](Cc2cn(CC3CCN(c4nc5ccccc5s4)CC3)nn2)C1 ZINC000023380350 570359434 /nfs/dbraw/zinc/35/94/34/570359434.db2.gz JRXCHTCNDVYETN-QGZVFWFLSA-N 1 2 398.536 2.371 50 0 GEAALO Cc1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000023641786 570367534 /nfs/dbraw/zinc/36/75/34/570367534.db2.gz NGAINVYVNDBOJD-IBGZPJMESA-N 1 2 389.540 2.367 50 0 GEAALO Cc1ccccc1Cn1c(C[N@H+]2CCC[C@H](C)C2)nc2c1c(=O)n(C)c(=O)n2C ZINC000004930066 570371781 /nfs/dbraw/zinc/37/17/81/570371781.db2.gz UVMSWLRSSXPGBI-HNNXBMFYSA-N 1 2 395.507 2.022 50 0 GEAALO Cc1ccccc1Cn1c(C[N@@H+]2CCC[C@H](C)C2)nc2c1c(=O)n(C)c(=O)n2C ZINC000004930066 570371785 /nfs/dbraw/zinc/37/17/85/570371785.db2.gz UVMSWLRSSXPGBI-HNNXBMFYSA-N 1 2 395.507 2.022 50 0 GEAALO O=C(c1ccc(-n2cncn2)cc1)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000023864559 570373925 /nfs/dbraw/zinc/37/39/25/570373925.db2.gz YHPZKRTZJBWGGD-UHFFFAOYSA-N 1 2 389.459 2.160 50 0 GEAALO O=C(Cc1ccc2c(c1)OCCO2)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000024135285 570379149 /nfs/dbraw/zinc/37/91/49/570379149.db2.gz BJFVEBGFWVQKPQ-UHFFFAOYSA-N 1 2 394.471 2.280 50 0 GEAALO O=C1C[C@@H]([NH+]2CCN(c3ccc(F)cc3)CC2)C(=O)N1Cc1ccc(F)cc1 ZINC000004622902 570388322 /nfs/dbraw/zinc/38/83/22/570388322.db2.gz SROVRXZHGPNPSA-LJQANCHMSA-N 1 2 385.414 2.415 50 0 GEAALO COc1ccc(CN2C(=O)C[C@@H]([NH+]3CCN(c4ccc(F)cc4)CC3)C2=O)cc1 ZINC000004624243 570388343 /nfs/dbraw/zinc/38/83/43/570388343.db2.gz PBLGGLHYGLZBTK-HXUWFJFHSA-N 1 2 397.450 2.284 50 0 GEAALO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)Cc2coc3cc4c(cc23)CCC4)CC1 ZINC000032869222 570395639 /nfs/dbraw/zinc/39/56/39/570395639.db2.gz IRBUJOXBIWWUGB-HNNXBMFYSA-N 1 2 395.503 2.275 50 0 GEAALO COc1ccc(C[NH+]2CCN(CC(=O)NCc3cccs3)CC2)cc1F ZINC000025797353 570419755 /nfs/dbraw/zinc/41/97/55/570419755.db2.gz HBOGOVQAVDMHRG-UHFFFAOYSA-N 1 2 377.485 2.330 50 0 GEAALO CC[NH+]1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)NC(C)(C)C)c2)CC1 ZINC000035728423 570425754 /nfs/dbraw/zinc/42/57/54/570425754.db2.gz KYRFUJQFJSVOAG-UHFFFAOYSA-N 1 2 387.933 2.195 50 0 GEAALO COc1cc2nc(N(C)CCCNC(=O)c3ccco3)[nH+]c(N)c2cc1OC ZINC000026500431 570426282 /nfs/dbraw/zinc/42/62/82/570426282.db2.gz CNKVWVXXVMNSQJ-UHFFFAOYSA-N 1 2 385.424 2.079 50 0 in-vitro GEAALO C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[NH+]1CCC(NS(C)(=O)=O)CC1 ZINC000011717570 570429822 /nfs/dbraw/zinc/42/98/22/570429822.db2.gz JPXMPSXNTNYKPN-LLVKDONJSA-N 1 2 393.431 2.046 50 0 GEAALO Cc1ccccc1NC(=O)[C@@H](C)N1CC[NH+](CC(=O)N2CCCCCC2)CC1 ZINC000027544353 570435440 /nfs/dbraw/zinc/43/54/40/570435440.db2.gz QZCPEEBIPOJDGH-LJQANCHMSA-N 1 2 386.540 2.342 50 0 GEAALO Cn1c(CN2CC[NH+](CC(=O)NCCc3ccccc3)CC2)nc2ccccc21 ZINC000042380858 570466760 /nfs/dbraw/zinc/46/67/60/570466760.db2.gz IUMJJHRZBYHUFR-UHFFFAOYSA-N 1 2 391.519 2.050 50 0 GEAALO Cc1c(C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)sc2ncn(C)c(=O)c12 ZINC000030030070 570484942 /nfs/dbraw/zinc/48/49/42/570484942.db2.gz CUGDDUOETIXJJY-OAHLLOKOSA-N 1 2 382.489 2.432 50 0 GEAALO Cc1c(C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)sc2ncn(C)c(=O)c12 ZINC000030030070 570484945 /nfs/dbraw/zinc/48/49/45/570484945.db2.gz CUGDDUOETIXJJY-OAHLLOKOSA-N 1 2 382.489 2.432 50 0 GEAALO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)c1cc2c([nH]c1=O)CCCC2=O ZINC000030217497 570487331 /nfs/dbraw/zinc/48/73/31/570487331.db2.gz ILFUFNVYKWQBDO-UHFFFAOYSA-N 1 2 376.416 2.069 50 0 GEAALO Cc1[nH+]c2ccccc2n1CCNC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000006652367 570519078 /nfs/dbraw/zinc/51/90/78/570519078.db2.gz RDQQYCVIZKGEDO-UHFFFAOYSA-N 1 2 386.477 2.025 50 0 GEAALO O=C(CN1CC[NH+](Cc2ccsc2)CC1)Nc1ccccc1C(=O)NC1CC1 ZINC000022787075 570546869 /nfs/dbraw/zinc/54/68/69/570546869.db2.gz VNRAXXLRCOHCIY-UHFFFAOYSA-N 1 2 398.532 2.397 50 0 GEAALO COc1ccc(OC)c([C@H]2CCCN2C(=O)NC[C@H](C)[NH+]2CCOCC2)c1 ZINC000046264835 570550845 /nfs/dbraw/zinc/55/08/45/570550845.db2.gz CTKXICNVDIXQOW-MAUKXSAKSA-N 1 2 377.485 2.271 50 0 GEAALO O=C(CC1CCN(C(=O)c2ccccc2Cl)CC1)NCC[NH+]1CCOCC1 ZINC000032974444 570562239 /nfs/dbraw/zinc/56/22/39/570562239.db2.gz HZEAPYJDJDKUSE-UHFFFAOYSA-N 1 2 393.915 2.031 50 0 GEAALO CC(C)(C)NC(=O)C(=O)NC[C@H](c1cccnc1)[N@@H+]1CCc2ccccc2C1 ZINC000022906785 570563456 /nfs/dbraw/zinc/56/34/56/570563456.db2.gz NSGISAARJUJTSO-LJQANCHMSA-N 1 2 380.492 2.212 50 0 GEAALO CC(C)(C)NC(=O)C(=O)NC[C@H](c1cccnc1)[N@H+]1CCc2ccccc2C1 ZINC000022906785 570563457 /nfs/dbraw/zinc/56/34/57/570563457.db2.gz NSGISAARJUJTSO-LJQANCHMSA-N 1 2 380.492 2.212 50 0 GEAALO COc1ccc(NC(=O)[C@@H](C2CCCC2)[NH+]2CCN(C(C)=O)CC2)cc1OC ZINC000036311833 570610259 /nfs/dbraw/zinc/61/02/59/570610259.db2.gz VHEKDHJYVAGKDC-HXUWFJFHSA-N 1 2 389.496 2.365 50 0 GEAALO CC(C)CCNC(=O)c1[nH]cnc1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000033003828 570618255 /nfs/dbraw/zinc/61/82/55/570618255.db2.gz PKZZDEJYMDPKOL-UHFFFAOYSA-N 1 2 383.496 2.144 50 0 GEAALO COc1ccc(S(=O)(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)cc1OC ZINC000013113101 570654816 /nfs/dbraw/zinc/65/48/16/570654816.db2.gz CFYGDUFAIQNIPC-QGZVFWFLSA-N 1 2 376.478 2.381 50 0 GEAALO COc1ccc(S(=O)(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)cc1OC ZINC000013113101 570654819 /nfs/dbraw/zinc/65/48/19/570654819.db2.gz CFYGDUFAIQNIPC-QGZVFWFLSA-N 1 2 376.478 2.381 50 0 GEAALO Cc1ccc2nc(C[N@H+]3CCCn4nc([C@H](O)c5ccnn5C)cc4C3)cn2c1 ZINC000230506838 570669117 /nfs/dbraw/zinc/66/91/17/570669117.db2.gz WTJSTQLWIYUQJX-NRFANRHFSA-N 1 2 391.479 2.060 50 0 GEAALO Cc1ccc2nc(C[N@@H+]3CCCn4nc([C@H](O)c5ccnn5C)cc4C3)cn2c1 ZINC000230506838 570669120 /nfs/dbraw/zinc/66/91/20/570669120.db2.gz WTJSTQLWIYUQJX-NRFANRHFSA-N 1 2 391.479 2.060 50 0 GEAALO O=C(NCc1cccnc1N1CCN(c2cccc[nH+]2)CC1)c1cscn1 ZINC000012577938 570682775 /nfs/dbraw/zinc/68/27/75/570682775.db2.gz IMGGRBBTRGGZNA-UHFFFAOYSA-N 1 2 380.477 2.190 50 0 GEAALO O=C(CCOc1ccccc1)N1CCC[C@H](C(=O)NCCCn2cc[nH+]c2)C1 ZINC000058024470 570708024 /nfs/dbraw/zinc/70/80/24/570708024.db2.gz ITSQZZADZXSRNP-SFHVURJKSA-N 1 2 384.480 2.097 50 0 GEAALO O=C(Nc1nncs1)C1CC[NH+](Cc2nc(Cc3ccccc3)no2)CC1 ZINC000058130442 570709701 /nfs/dbraw/zinc/70/97/01/570709701.db2.gz WUHMXHFTFSDHIN-UHFFFAOYSA-N 1 2 384.465 2.363 50 0 GEAALO CCOC(=O)C1=C(C[N@H+](CC)Cc2ccc(OC)c(F)c2)NC(=O)N[C@H]1C ZINC000058161854 570712782 /nfs/dbraw/zinc/71/27/82/570712782.db2.gz XHZLEIWQPGYNAX-LBPRGKRZSA-N 1 2 379.432 2.175 50 0 GEAALO CCOC(=O)C1=C(C[N@@H+](CC)Cc2ccc(OC)c(F)c2)NC(=O)N[C@H]1C ZINC000058161854 570712785 /nfs/dbraw/zinc/71/27/85/570712785.db2.gz XHZLEIWQPGYNAX-LBPRGKRZSA-N 1 2 379.432 2.175 50 0 GEAALO COc1ccc(CCC(=O)N2CC[NH+]([C@@H](C)C(=O)NC(C)(C)C)CC2)cc1 ZINC000058179647 570716990 /nfs/dbraw/zinc/71/69/90/570716990.db2.gz HVNVBOFQLASFBA-INIZCTEOSA-N 1 2 375.513 2.075 50 0 GEAALO Cc1cccc(S(=O)(=O)N2CC[NH+](CCc3cn(C)c4ncccc34)CC2)c1 ZINC000065164754 570720794 /nfs/dbraw/zinc/72/07/94/570720794.db2.gz LTTNLNXSOBGLND-UHFFFAOYSA-N 1 2 398.532 2.431 50 0 GEAALO O=S(=O)(c1ccc2oc(=S)n(C[NH+]3CCCCC3)c2c1)N1CCOCC1 ZINC000006985544 570729523 /nfs/dbraw/zinc/72/95/23/570729523.db2.gz MSGKIXGGRZGEIW-UHFFFAOYSA-N 1 2 397.522 2.428 50 0 GEAALO CCn1nc(C)c(S(=O)(=O)N2CC[NH+](Cc3ccc(C)cc3)CC2)c1C ZINC000036614510 570758528 /nfs/dbraw/zinc/75/85/28/570758528.db2.gz ZLVXZQLYWDTNKR-UHFFFAOYSA-N 1 2 376.526 2.335 50 0 GEAALO Cc1cccc(-c2noc(CN(C)C(=O)c3cc4n(n3)CCC[N@H+](C)C4)n2)c1 ZINC000065456422 570769709 /nfs/dbraw/zinc/76/97/09/570769709.db2.gz DUKGYOLHLSHAMO-UHFFFAOYSA-N 1 2 380.452 2.349 50 0 GEAALO Cc1cccc(-c2noc(CN(C)C(=O)c3cc4n(n3)CCC[N@@H+](C)C4)n2)c1 ZINC000065456422 570769711 /nfs/dbraw/zinc/76/97/11/570769711.db2.gz DUKGYOLHLSHAMO-UHFFFAOYSA-N 1 2 380.452 2.349 50 0 GEAALO C[C@@H](C(=O)N1CCOCC1)[NH+]1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000052723591 570792501 /nfs/dbraw/zinc/79/25/01/570792501.db2.gz JTKWTSRPLGFXCN-HNNXBMFYSA-N 1 2 385.430 2.070 50 0 GEAALO Cc1csc(=O)n1CCCC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000024379626 570792531 /nfs/dbraw/zinc/79/25/31/570792531.db2.gz IEPHTMWKWCUYEP-UHFFFAOYSA-N 1 2 389.521 2.147 50 0 GEAALO COc1ccc(CCN2C(=O)C[C@@H]([N@H+](C)Cc3ccc4c(c3)OCO4)C2=O)cc1 ZINC000032771932 570805381 /nfs/dbraw/zinc/80/53/81/570805381.db2.gz VCVTWIVXSPEQNS-GOSISDBHSA-N 1 2 396.443 2.226 50 0 GEAALO COc1ccc(CCN2C(=O)C[C@@H]([N@@H+](C)Cc3ccc4c(c3)OCO4)C2=O)cc1 ZINC000032771932 570805384 /nfs/dbraw/zinc/80/53/84/570805384.db2.gz VCVTWIVXSPEQNS-GOSISDBHSA-N 1 2 396.443 2.226 50 0 GEAALO O=C(CN1c2ccccc2OCCC1=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000032860064 570860090 /nfs/dbraw/zinc/86/00/90/570860090.db2.gz NNANKFCBPDMVDF-UHFFFAOYSA-N 1 2 390.443 2.363 50 0 GEAALO Cn1cc[nH+]c1[C@H](NC(=O)CNC(=O)c1ccccc1F)c1ccc(F)cc1 ZINC000012575077 570875373 /nfs/dbraw/zinc/87/53/73/570875373.db2.gz BMAGAUPUGNMTHN-GOSISDBHSA-N 1 2 384.386 2.334 50 0 GEAALO CCS(=O)(=O)N1CCC(C(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000012582453 570879060 /nfs/dbraw/zinc/87/90/60/570879060.db2.gz JRRNCHLOYXEFRY-OAHLLOKOSA-N 1 2 390.509 2.111 50 0 GEAALO O=C(CCNC(=O)c1ccsc1)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000032901474 570897098 /nfs/dbraw/zinc/89/70/98/570897098.db2.gz SWVINLJIMKBPMI-HNNXBMFYSA-N 1 2 393.534 2.119 50 0 GEAALO COc1n[nH]c(-c2ccc(C(=O)N3CC[NH+](Cc4cccs4)CC3)cc2)n1 ZINC000534584147 570902179 /nfs/dbraw/zinc/90/21/79/570902179.db2.gz RXLVLXTYPPBCBW-UHFFFAOYSA-N 1 2 383.477 2.500 50 0 GEAALO COC(=O)c1sccc1NC(=O)C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000052909655 570956954 /nfs/dbraw/zinc/95/69/54/570956954.db2.gz SPHKVAPLDBUDMO-UHFFFAOYSA-N 1 2 397.497 2.462 50 0 GEAALO CCOC(=O)C1=C(CN2CCC[C@H]2c2[nH+]ccn2C)NC(=O)N[C@H]1c1ccco1 ZINC000252477487 570966239 /nfs/dbraw/zinc/96/62/39/570966239.db2.gz OUUBOUUBLYFKFA-YOEHRIQHSA-N 1 2 399.451 2.021 50 0 GEAALO C[C@H](Oc1nn(-c2ccccc2)cc1Br)C(=O)N1CC[NH+](C)CC1 ZINC000227153350 645392410 /nfs/dbraw/zinc/39/24/10/645392410.db2.gz MDAGHWKECZBAFR-ZDUSSCGKSA-N 1 2 393.285 2.176 50 0 GEAALO C[C@@H](Oc1nn(-c2ccccc2)cc1Br)C(=O)N1CC[NH+](C)CC1 ZINC000227153343 645392450 /nfs/dbraw/zinc/39/24/50/645392450.db2.gz MDAGHWKECZBAFR-CYBMUJFWSA-N 1 2 393.285 2.176 50 0 GEAALO COc1ccc(N2C(=O)C[C@@H]([NH+]3CCN(c4cccc(OC)c4)CC3)C2=O)cc1 ZINC000019556278 210262184 /nfs/dbraw/zinc/26/21/84/210262184.db2.gz JNTDKGSHLCDSPO-HXUWFJFHSA-N 1 2 395.459 2.158 50 0 GEAALO Cc1cccn2cc(CNC(=O)N3CCC[C@@H](C(=O)c4nccn4C)C3)[nH+]c12 ZINC000426515792 231233865 /nfs/dbraw/zinc/23/38/65/231233865.db2.gz UXNFISPZQAAOEI-OAHLLOKOSA-N 1 2 380.452 2.181 50 0 GEAALO CN(C)C(=O)c1ccc(NC(=O)C[N@H+](C)C[C@H]2COc3ccccc3O2)cc1 ZINC000016628550 210193229 /nfs/dbraw/zinc/19/32/29/210193229.db2.gz QQABQQGYQKBYPU-KRWDZBQOSA-N 1 2 383.448 2.099 50 0 GEAALO CN(C)C(=O)c1ccc(NC(=O)C[N@@H+](C)C[C@H]2COc3ccccc3O2)cc1 ZINC000016628550 210193234 /nfs/dbraw/zinc/19/32/34/210193234.db2.gz QQABQQGYQKBYPU-KRWDZBQOSA-N 1 2 383.448 2.099 50 0 GEAALO O=C(c1cnc2sccn2c1=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000016652409 210192074 /nfs/dbraw/zinc/19/20/74/210192074.db2.gz YKTQMIXXMMQKDF-QPJJXVBHSA-N 1 2 380.473 2.227 50 0 GEAALO CCc1cc2c(cc1S(=O)(=O)N1CC[NH+](C)CC1)[nH]c1c2C(=O)CCC1 ZINC000015733852 210165159 /nfs/dbraw/zinc/16/51/59/210165159.db2.gz VNEOZZWPSBSZDS-UHFFFAOYSA-N 1 2 375.494 2.185 50 0 GEAALO O=C(c1cc(-c2ccco2)n[nH]1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000015679271 210161940 /nfs/dbraw/zinc/16/19/40/210161940.db2.gz SDAAKMSGAAQCSO-UHFFFAOYSA-N 1 2 380.404 2.356 50 0 GEAALO O=C1N[C@@H](Cc2ccccc2)C(=O)N2CC[N@@H+](Cc3ccc(Cl)cc3)C[C@H]12 ZINC000014732314 210124754 /nfs/dbraw/zinc/12/47/54/210124754.db2.gz BQUMFQMKSMJWJP-RBUKOAKNSA-N 1 2 383.879 2.094 50 0 GEAALO O=C1N[C@@H](Cc2ccccc2)C(=O)N2CC[N@H+](Cc3ccc(Cl)cc3)C[C@H]12 ZINC000014732314 210124758 /nfs/dbraw/zinc/12/47/58/210124758.db2.gz BQUMFQMKSMJWJP-RBUKOAKNSA-N 1 2 383.879 2.094 50 0 GEAALO COC(=O)C[N@H+](C)[C@@H]1CCc2c(c(C(=O)N(C)C)nn2CC2CCCCC2)C1 ZINC000014539038 210119507 /nfs/dbraw/zinc/11/95/07/210119507.db2.gz QAKGAKDIGOJIKH-MRXNPFEDSA-N 1 2 390.528 2.127 50 0 GEAALO COC(=O)C[N@@H+](C)[C@@H]1CCc2c(c(C(=O)N(C)C)nn2CC2CCCCC2)C1 ZINC000014539038 210119511 /nfs/dbraw/zinc/11/95/11/210119511.db2.gz QAKGAKDIGOJIKH-MRXNPFEDSA-N 1 2 390.528 2.127 50 0 GEAALO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc2c(c1)OCC(=O)N2)c1ccc(F)cc1 ZINC000014406271 210117937 /nfs/dbraw/zinc/11/79/37/210117937.db2.gz CMFAYSQUGPZTMP-GOSISDBHSA-N 1 2 380.379 2.410 50 0 GEAALO O=S(=O)(c1cccc2nsnc21)N1CC[NH+](CCc2ccccc2)CC1 ZINC000013950180 210098269 /nfs/dbraw/zinc/09/82/69/210098269.db2.gz OUDBSTXQJNHVQO-UHFFFAOYSA-N 1 2 388.518 2.240 50 0 GEAALO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CCc2c[nH]c3ccccc23)CC1 ZINC000013001094 210043553 /nfs/dbraw/zinc/04/35/53/210043553.db2.gz HRRFAVAFCFQHSP-UHFFFAOYSA-N 1 2 389.463 2.126 50 0 GEAALO COc1cc(-c2nnc(SCC[NH+]3CCOCC3)o2)cc(OC)c1OC ZINC000012808575 210013573 /nfs/dbraw/zinc/01/35/73/210013573.db2.gz PBMIAYNCSKCWAD-UHFFFAOYSA-N 1 2 381.454 2.187 50 0 GEAALO C[NH+]1CCN(c2nc(O)c(CC(=O)Nc3ccc(F)c(Cl)c3)s2)CC1 ZINC000023994712 531599584 /nfs/dbraw/zinc/59/95/84/531599584.db2.gz BRBRNZROXVWERE-CYBMUJFWSA-N 1 2 384.864 2.053 50 0 GEAALO O=C(N[C@@H]1CS(=O)(=O)C[C@@H]1[NH+]1CCCCC1)c1cccc(Cl)c1Cl ZINC000060364017 531840671 /nfs/dbraw/zinc/84/06/71/531840671.db2.gz NQJHLSIYNHKHRP-KGLIPLIRSA-N 1 2 391.320 2.375 50 0 GEAALO COc1cc2c(cc1OC)[C@H](c1c(O)[nH]c(=S)n(C(C)C)c1=O)[NH2+]CC2 ZINC000001323201 209319333 /nfs/dbraw/zinc/31/93/33/209319333.db2.gz DXCBBGNRAAVLBQ-OAHLLOKOSA-N 1 2 377.466 2.071 50 0 GEAALO O=C(NC1CC[NH+](Cc2nnn3c2CO[C@H](c2ccc(F)cc2)C3)CC1)C1CC1 ZINC000263618413 209226175 /nfs/dbraw/zinc/22/61/75/209226175.db2.gz SXIGTWZUNKWNBC-FQEVSTJZSA-N 1 2 399.470 2.179 50 0 GEAALO CN(C(=O)OC(C)(C)C)[C@H]1CCCN(c2cc(N3CCC[C@H]3CO)nc[nH+]2)C1 ZINC000225322321 209187298 /nfs/dbraw/zinc/18/72/98/209187298.db2.gz VUXQMXOUQHYFDC-HOTGVXAUSA-N 1 2 391.516 2.273 50 0 GEAALO CN(C(=O)OC(C)(C)C)[C@H]1CCCN(c2cc(N3CCC[C@H]3CO)[nH+]cn2)C1 ZINC000225322321 209187301 /nfs/dbraw/zinc/18/73/01/209187301.db2.gz VUXQMXOUQHYFDC-HOTGVXAUSA-N 1 2 391.516 2.273 50 0 GEAALO Cc1ccc(C[N@@H+]2CCNC(=O)[C@H]2CC(=O)N(C)C2CCSCC2)cc1 ZINC000299757505 212031418 /nfs/dbraw/zinc/03/14/18/212031418.db2.gz IHDUPRSZMDZYSR-GOSISDBHSA-N 1 2 375.538 2.040 50 0 GEAALO Cc1ccc(C[N@H+]2CCNC(=O)[C@H]2CC(=O)N(C)C2CCSCC2)cc1 ZINC000299757505 212031423 /nfs/dbraw/zinc/03/14/23/212031423.db2.gz IHDUPRSZMDZYSR-GOSISDBHSA-N 1 2 375.538 2.040 50 0 GEAALO Cc1nc(C[N@@H+]2CC[C@@H](NC(=O)CCc3cccc(F)c3)[C@H](O)C2)cs1 ZINC000299756212 212030504 /nfs/dbraw/zinc/03/05/04/212030504.db2.gz JXLYRLRJJZMEGW-QZTJIDSGSA-N 1 2 377.485 2.275 50 0 GEAALO Cc1nc(C[N@H+]2CC[C@@H](NC(=O)CCc3cccc(F)c3)[C@H](O)C2)cs1 ZINC000299756212 212030508 /nfs/dbraw/zinc/03/05/08/212030508.db2.gz JXLYRLRJJZMEGW-QZTJIDSGSA-N 1 2 377.485 2.275 50 0 GEAALO Cc1cncc(N(Cc2[nH]cc[nH+]2)C(=O)CN2C(=O)COc3ccccc32)c1 ZINC000328589923 209142146 /nfs/dbraw/zinc/14/21/46/209142146.db2.gz RWPMFZWFHYJACD-UHFFFAOYSA-N 1 2 377.404 2.072 50 0 GEAALO CCn1c(N)c(C(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)c(=O)[nH]c1=O ZINC000058133468 211777624 /nfs/dbraw/zinc/77/76/24/211777624.db2.gz OVICQRWQYJCRDY-UHFFFAOYSA-N 1 2 392.459 2.024 50 0 GEAALO CC(C)[C@@H](C)NS(=O)(=O)c1cccc(S(=O)(=O)Nc2cc[nH+]cc2)c1 ZINC000097165292 211360728 /nfs/dbraw/zinc/36/07/28/211360728.db2.gz WTWKZFAUUYESDL-CYBMUJFWSA-N 1 2 383.495 2.205 50 0 GEAALO CC(=O)Nc1cc(NC(=O)N2CCC(O)(Cn3cc[nH+]c3)CC2)ccc1F ZINC000097711869 211371937 /nfs/dbraw/zinc/37/19/37/211371937.db2.gz YAZUXBNPZKLQKP-UHFFFAOYSA-N 1 2 375.404 2.040 50 0 GEAALO CCOC(=O)N1CC[NH+]([C@@H]2CCCN(C(=O)c3cc(C(C)C)no3)C2)CC1 ZINC000096791706 211347456 /nfs/dbraw/zinc/34/74/56/211347456.db2.gz DWJFGUQBZFSWHB-OAHLLOKOSA-N 1 2 378.473 2.177 50 0 GEAALO O=C(Nc1cccc(-c2cccc(F)c2)c1)N1CC[NH2+][C@H]2CS(=O)(=O)C[C@H]21 ZINC000096180449 211318428 /nfs/dbraw/zinc/31/84/28/211318428.db2.gz VQQMCKMYTJHAAA-ZWKOTPCHSA-N 1 2 389.452 2.095 50 0 GEAALO CCn1nccc1C(=O)N1CCC(c2nnc(C[NH+]3CCCC3)n2CC)CC1 ZINC000096151327 211311712 /nfs/dbraw/zinc/31/17/12/211311712.db2.gz PJSDYVBFUGUHPE-UHFFFAOYSA-N 1 2 385.516 2.130 50 0 GEAALO CCn1c(C[NH+](C)C)nnc1C1CCN(C(=O)CN(C)c2ccccc2)CC1 ZINC000096131050 211305075 /nfs/dbraw/zinc/30/50/75/211305075.db2.gz LLAXKIFUWBQHOW-UHFFFAOYSA-N 1 2 384.528 2.202 50 0 GEAALO CCn1c(C[NH+](C)C)nnc1C1CCN(C(=O)c2cnn3ccccc23)CC1 ZINC000096131232 211303471 /nfs/dbraw/zinc/30/34/71/211303471.db2.gz BGCIWWZPFXTPSC-UHFFFAOYSA-N 1 2 381.484 2.027 50 0 GEAALO COC(=O)c1ccccc1CS(=O)(=O)NCc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000096008951 211294842 /nfs/dbraw/zinc/29/48/42/211294842.db2.gz IIBZYEGXMQUUBL-UHFFFAOYSA-N 1 2 385.445 2.483 50 0 GEAALO Cn1c2[nH]c(C[NH+](Cc3ccccc3)Cc3ccccc3)nc2c(=O)n(C)c1=O ZINC000095545647 211277535 /nfs/dbraw/zinc/27/75/35/211277535.db2.gz RWMBUUVPVLVNSN-UHFFFAOYSA-N 1 2 389.459 2.163 50 0 GEAALO CCCc1cc(C(=O)N2CCC3(CC2)c2[nH+]c[nH]c2CCN3C(=O)CC)no1 ZINC000095525791 211271951 /nfs/dbraw/zinc/27/19/51/211271951.db2.gz NNIQLQWANWATRN-UHFFFAOYSA-N 1 2 385.468 2.276 50 0 GEAALO Cc1[nH]ccc1C(=O)N1CCC2(CC1)c1[nH+]c[nH]c1CCN2C(=O)C1CCC1 ZINC000095522551 211270407 /nfs/dbraw/zinc/27/04/07/211270407.db2.gz JBXZFKBWRGOMEM-UHFFFAOYSA-N 1 2 381.480 2.363 50 0 GEAALO COc1ccc(C(=O)NC2CC2)cc1OC1CC[NH+](Cc2nnc(C)o2)CC1 ZINC000095524456 211269450 /nfs/dbraw/zinc/26/94/50/211269450.db2.gz JBHGLWMDAXSFPM-UHFFFAOYSA-N 1 2 386.452 2.322 50 0 GEAALO O=C(COC[C@@H]1CCCO1)N1CCC(c2[nH+]ccn2Cc2ccncc2)CC1 ZINC000095499087 211252195 /nfs/dbraw/zinc/25/21/95/211252195.db2.gz GJULRWQCLIYPJT-IBGZPJMESA-N 1 2 384.480 2.228 50 0 GEAALO COCCn1cc[nH+]c1[C@H]1CCCN(C(=O)c2cc(-c3ccncc3)n[nH]2)C1 ZINC000095509772 211259682 /nfs/dbraw/zinc/25/96/82/211259682.db2.gz TYSAKQFEVVRFBY-INIZCTEOSA-N 1 2 380.452 2.334 50 0 GEAALO c1ccc([C@H]2NC3=[NH+]CN(C[C@@H]4CCCO4)CN3c3nc4ccccc4n32)nc1 ZINC000095404878 211239394 /nfs/dbraw/zinc/23/93/94/211239394.db2.gz ZWEYEQXNLPEXDB-KXBFYZLASA-N 1 2 389.463 2.153 50 0 GEAALO CN(C)S(=O)(=O)N1C[C@@H]2CC[C@H](C1)[N@H+](Cc1ccc(F)c(Cl)c1)C2 ZINC000095391821 211237342 /nfs/dbraw/zinc/23/73/42/211237342.db2.gz ZVDNOBCXPPETEF-ZIAGYGMSSA-N 1 2 375.897 2.182 50 0 GEAALO CN(C)S(=O)(=O)N1C[C@@H]2CC[C@H](C1)[N@@H+](Cc1ccc(F)c(Cl)c1)C2 ZINC000095391821 211237346 /nfs/dbraw/zinc/23/73/46/211237346.db2.gz ZVDNOBCXPPETEF-ZIAGYGMSSA-N 1 2 375.897 2.182 50 0 GEAALO CCOC(=O)C1=C(CN2CCC[C@@H]2c2[nH+]ccn2C)NC(=O)N[C@@H]1c1ccco1 ZINC000095456036 211242290 /nfs/dbraw/zinc/24/22/90/211242290.db2.gz OUUBOUUBLYFKFA-RHSMWYFYSA-N 1 2 399.451 2.021 50 0 GEAALO CCCn1ncc(C[N@@H+]2CCc3nc(NC)nc(C(=O)N4CCCC4)c3C2)c1C ZINC000095385221 211235086 /nfs/dbraw/zinc/23/50/86/211235086.db2.gz WJUWBKXLIQGQRW-UHFFFAOYSA-N 1 2 397.527 2.228 50 0 GEAALO CCCn1ncc(C[N@H+]2CCc3nc(NC)nc(C(=O)N4CCCC4)c3C2)c1C ZINC000095385221 211235089 /nfs/dbraw/zinc/23/50/89/211235089.db2.gz WJUWBKXLIQGQRW-UHFFFAOYSA-N 1 2 397.527 2.228 50 0 GEAALO Cc1ccccc1CC(=O)N1CCC[C@@H](c2nnc(Cn3cc[nH+]c3)n2C)C1 ZINC000095382345 211232389 /nfs/dbraw/zinc/23/23/89/211232389.db2.gz KUVRDSCOALTAGE-GOSISDBHSA-N 1 2 378.480 2.317 50 0 GEAALO CN(C)S(=O)(=O)N1C[C@@H]2CC[C@H](C1)[N@H+](Cc1c(F)cccc1Cl)C2 ZINC000091943061 211210846 /nfs/dbraw/zinc/21/08/46/211210846.db2.gz CYCVIZXUEYDKOZ-CHWSQXEVSA-N 1 2 375.897 2.182 50 0 GEAALO CN(C)S(=O)(=O)N1C[C@@H]2CC[C@H](C1)[N@@H+](Cc1c(F)cccc1Cl)C2 ZINC000091943061 211210849 /nfs/dbraw/zinc/21/08/49/211210849.db2.gz CYCVIZXUEYDKOZ-CHWSQXEVSA-N 1 2 375.897 2.182 50 0 GEAALO O=C(CCCn1cc[nH+]c1)N1CCC2(CCC(=O)N(C[C@H]3CCCO3)C2)CC1 ZINC000092037625 211214533 /nfs/dbraw/zinc/21/45/33/211214533.db2.gz RNMFQPNIXYZOAM-GOSISDBHSA-N 1 2 388.512 2.074 50 0 GEAALO CSCc1noc(C[NH+]2CCC3(CCC(=O)N(C[C@H]4CCCO4)C3)CC2)n1 ZINC000092077739 211214083 /nfs/dbraw/zinc/21/40/83/211214083.db2.gz HXMRVAVFYMWVFA-OAHLLOKOSA-N 1 2 394.541 2.316 50 0 GEAALO C[C@]1(C(=O)N2CCC3(CCC(=O)N(CCCn4cc[nH+]c4)C3)CC2)CCCO1 ZINC000092022534 211212713 /nfs/dbraw/zinc/21/27/13/211212713.db2.gz XTINTHJSLRANKZ-HXUWFJFHSA-N 1 2 388.512 2.074 50 0 GEAALO C[N@H+](CC(=O)N1CCC[C@]2(CCC(=O)N(CC3CC3)C2)C1)Cc1cccnc1 ZINC000091646017 211202030 /nfs/dbraw/zinc/20/20/30/211202030.db2.gz ANWCGYXCMKLMED-QFIPXVFZSA-N 1 2 384.524 2.155 50 0 GEAALO C[N@@H+](CC(=O)N1CCC[C@]2(CCC(=O)N(CC3CC3)C2)C1)Cc1cccnc1 ZINC000091646017 211202033 /nfs/dbraw/zinc/20/20/33/211202033.db2.gz ANWCGYXCMKLMED-QFIPXVFZSA-N 1 2 384.524 2.155 50 0 GEAALO CCc1cc(C(=O)N2CCC3(CCC(=O)N(CCc4c[nH+]c[nH]4)C3)CC2)on1 ZINC000091427034 211192107 /nfs/dbraw/zinc/19/21/07/211192107.db2.gz HHYITTNDFAKPQZ-UHFFFAOYSA-N 1 2 385.468 2.048 50 0 GEAALO CCc1cc(C(=O)N2CCC3(CCC(=O)N(CCc4c[nH]c[nH+]4)C3)CC2)on1 ZINC000091427034 211192111 /nfs/dbraw/zinc/19/21/11/211192111.db2.gz HHYITTNDFAKPQZ-UHFFFAOYSA-N 1 2 385.468 2.048 50 0 GEAALO Cn1cnc2cc(S(=O)(=O)NCc3cccc(Cn4cc[nH+]c4)c3)ccc21 ZINC000084331843 211169774 /nfs/dbraw/zinc/16/97/74/211169774.db2.gz BQRUBOMUGQMXCB-UHFFFAOYSA-N 1 2 381.461 2.297 50 0 GEAALO Cc1cc(NC(=O)C[N@@H+]2CCSC[C@@H]2CCO)n(-c2ccc(F)cc2)n1 ZINC000079075128 211154101 /nfs/dbraw/zinc/15/41/01/211154101.db2.gz XCLVMKQWJXINPX-INIZCTEOSA-N 1 2 378.473 2.058 50 0 GEAALO Cc1cc(NC(=O)C[N@H+]2CCSC[C@@H]2CCO)n(-c2ccc(F)cc2)n1 ZINC000079075128 211154103 /nfs/dbraw/zinc/15/41/03/211154103.db2.gz XCLVMKQWJXINPX-INIZCTEOSA-N 1 2 378.473 2.058 50 0 GEAALO COc1cccc2c1ccn2CC(=O)N1CC[NH+](CCc2ccccn2)CC1 ZINC000079488672 211158199 /nfs/dbraw/zinc/15/81/99/211158199.db2.gz DMHYXGWTCDRFAR-UHFFFAOYSA-N 1 2 378.476 2.432 50 0 GEAALO O=C(N[C@@H]1CC[N@@H+](Cc2coc(-c3ccccc3)n2)C[C@H]1O)c1cccnc1 ZINC000077300901 211128597 /nfs/dbraw/zinc/12/85/97/211128597.db2.gz LZNMDRNGXSSUCJ-RTBURBONSA-N 1 2 378.432 2.102 50 0 GEAALO O=C(N[C@@H]1CC[N@H+](Cc2coc(-c3ccccc3)n2)C[C@H]1O)c1cccnc1 ZINC000077300901 211128600 /nfs/dbraw/zinc/12/86/00/211128600.db2.gz LZNMDRNGXSSUCJ-RTBURBONSA-N 1 2 378.432 2.102 50 0 GEAALO Cc1nnnn1-c1ccccc1C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000072404276 211112698 /nfs/dbraw/zinc/11/26/98/211112698.db2.gz IZXSSNBKELZQOJ-JXMROGBWSA-N 1 2 388.475 2.442 50 0 GEAALO C[C@@H](C(=O)Nc1cc(Cl)ccc1F)[NH+]1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000072308912 211088663 /nfs/dbraw/zinc/08/86/63/211088663.db2.gz LPVAEIYQCVKCLW-YPMLDQLKSA-N 1 2 396.850 2.116 50 0 GEAALO CN(Cc1c(F)cccc1Cl)C(=O)c1cnn(CC[NH+]2CCOCC2)c1 ZINC000072284239 211085620 /nfs/dbraw/zinc/08/56/20/211085620.db2.gz BYKVPIXTMSVUGQ-UHFFFAOYSA-N 1 2 380.851 2.280 50 0 GEAALO O=C(C[C@@H]1C(=O)NCC[N@H+]1Cc1cccc(Oc2ccccc2)c1)NC1CC1 ZINC000072163260 211080132 /nfs/dbraw/zinc/08/01/32/211080132.db2.gz GTXDJPBLBPSNIR-HXUWFJFHSA-N 1 2 379.460 2.448 50 0 GEAALO O=C(C[C@@H]1C(=O)NCC[N@@H+]1Cc1cccc(Oc2ccccc2)c1)NC1CC1 ZINC000072163260 211080136 /nfs/dbraw/zinc/08/01/36/211080136.db2.gz GTXDJPBLBPSNIR-HXUWFJFHSA-N 1 2 379.460 2.448 50 0 GEAALO CC(C)=CC[N@@H+]1CCNC(=O)[C@@H]1CC(=O)N(C)Cc1cccc2cccnc21 ZINC000072156066 211078460 /nfs/dbraw/zinc/07/84/60/211078460.db2.gz KXMFDTFKJZISSC-IBGZPJMESA-N 1 2 380.492 2.350 50 0 GEAALO CC(C)=CC[N@H+]1CCNC(=O)[C@@H]1CC(=O)N(C)Cc1cccc2cccnc21 ZINC000072156066 211078462 /nfs/dbraw/zinc/07/84/62/211078462.db2.gz KXMFDTFKJZISSC-IBGZPJMESA-N 1 2 380.492 2.350 50 0 GEAALO O=C(c1ccc2sc3c(c2c1)CCNC3=O)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000072129635 211070904 /nfs/dbraw/zinc/07/09/04/211070904.db2.gz KYIWVSITMVNDCO-HNNXBMFYSA-N 1 2 399.516 2.124 50 0 GEAALO Cc1ccc(NC(=O)c2cccc(F)c2)cc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000072117729 211069449 /nfs/dbraw/zinc/06/94/49/211069449.db2.gz DHTUZXOBFCMOCI-UHFFFAOYSA-N 1 2 391.468 2.323 50 0 GEAALO CC[NH+](CC)Cc1nnc2sc(CCCN3C(=O)c4ccccc4C3=O)nn12 ZINC000071260578 211043161 /nfs/dbraw/zinc/04/31/61/211043161.db2.gz LCOQNNFGNBVIKQ-UHFFFAOYSA-N 1 2 398.492 2.256 50 0 GEAALO COc1c(C)c[nH+]c(CNC(=O)C2=C(C)NC(=O)N[C@H]2c2cccnc2)c1C ZINC000067907937 211029915 /nfs/dbraw/zinc/02/99/15/211029915.db2.gz QHIAYCIPIPXJSS-KRWDZBQOSA-N 1 2 381.436 2.046 50 0 GEAALO Cc1ccc(-c2cc(O)c3c(c2)C[N@@H+](CC(=O)N2CCOCC2)CCO3)cc1 ZINC000067820005 211023155 /nfs/dbraw/zinc/02/31/55/211023155.db2.gz STXAPXIJYMDWPP-UHFFFAOYSA-N 1 2 382.460 2.421 50 0 GEAALO Cc1ccc(-c2cc(O)c3c(c2)C[N@H+](CC(=O)N2CCOCC2)CCO3)cc1 ZINC000067820005 211023157 /nfs/dbraw/zinc/02/31/57/211023157.db2.gz STXAPXIJYMDWPP-UHFFFAOYSA-N 1 2 382.460 2.421 50 0 GEAALO CC(=O)N1CCN(c2[nH+]cccc2CNC(=O)c2csc(C(C)C)n2)CC1 ZINC000067872381 211026531 /nfs/dbraw/zinc/02/65/31/211026531.db2.gz FCXQPHTYPRNPOB-UHFFFAOYSA-N 1 2 387.509 2.260 50 0 GEAALO CCCc1nc(C)c(CNC(=O)C2=C(C)NC(=O)N[C@@H]2c2[nH]c[nH+]c2C)s1 ZINC000067515488 211011444 /nfs/dbraw/zinc/01/14/44/211011444.db2.gz LBNAAZRDFATVNU-INIZCTEOSA-N 1 2 388.497 2.380 50 0 GEAALO O=C(CNC(=O)Cc1cccc2ccccc21)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000058014986 210905344 /nfs/dbraw/zinc/90/53/44/210905344.db2.gz HNWLWXDITCBKJR-UHFFFAOYSA-N 1 2 399.454 2.396 50 0 GEAALO O=C(C[N@H+]1CCC[C@@H]1c1cccc(Br)c1)NCC(=O)N1CCCC1 ZINC000053280359 210873018 /nfs/dbraw/zinc/87/30/18/210873018.db2.gz MHGFIXJXLXDSRW-MRXNPFEDSA-N 1 2 394.313 2.325 50 0 GEAALO O=C(C[N@@H+]1CCC[C@@H]1c1cccc(Br)c1)NCC(=O)N1CCCC1 ZINC000053280359 210873025 /nfs/dbraw/zinc/87/30/25/210873025.db2.gz MHGFIXJXLXDSRW-MRXNPFEDSA-N 1 2 394.313 2.325 50 0 GEAALO COc1c(C)c[nH+]c(CNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)c1C ZINC000050771242 210866740 /nfs/dbraw/zinc/86/67/40/210866740.db2.gz LEYFDRHRFIRWMM-ZOBUZTSGSA-N 1 2 392.525 2.049 50 0 GEAALO C[C@@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CN1CC[NH+](Cc3ccncc3)CC1)C2=O ZINC000022799112 210425130 /nfs/dbraw/zinc/42/51/30/210425130.db2.gz IZEMNWBWEYKXEP-JTSKRJEESA-N 1 2 399.539 2.294 50 0 GEAALO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1CCCN(c2ncccn2)C1 ZINC000021174488 210380616 /nfs/dbraw/zinc/38/06/16/210380616.db2.gz XJKBVVLTQTXFEO-GOSISDBHSA-N 1 2 381.480 2.164 50 0 GEAALO COc1ccc(-n2cnc3cc(C(=O)NCC[NH+]4CCOCC4)ccc32)cc1 ZINC000020757727 210360985 /nfs/dbraw/zinc/36/09/85/210360985.db2.gz MQNBJAUDSODRDL-UHFFFAOYSA-N 1 2 380.448 2.096 50 0 GEAALO O=c1[nH]c(=O)n(CCc2ccccc2)c2c1C[N@@H+](CCc1ccccc1)CN2 ZINC000020522297 210344184 /nfs/dbraw/zinc/34/41/84/210344184.db2.gz LBXGGESUCJTJKG-UHFFFAOYSA-N 1 2 376.460 2.207 50 0 GEAALO O=c1[nH]c(=O)n(CCc2ccccc2)c2c1C[N@H+](CCc1ccccc1)CN2 ZINC000020522297 210344187 /nfs/dbraw/zinc/34/41/87/210344187.db2.gz LBXGGESUCJTJKG-UHFFFAOYSA-N 1 2 376.460 2.207 50 0 GEAALO OCC[C@H]1C[N@H+](Cc2cccn2-c2ncccn2)CCN1Cc1ccsc1 ZINC000020351539 210329065 /nfs/dbraw/zinc/32/90/65/210329065.db2.gz RQPAHRCAZLFCIX-SFHVURJKSA-N 1 2 383.521 2.398 50 0 GEAALO OCC[C@H]1C[N@@H+](Cc2cccn2-c2ncccn2)CCN1Cc1ccsc1 ZINC000020351539 210329068 /nfs/dbraw/zinc/32/90/68/210329068.db2.gz RQPAHRCAZLFCIX-SFHVURJKSA-N 1 2 383.521 2.398 50 0 GEAALO COc1cccc(-n2cc(-c3ccnc(NCC[NH+]4CCOCC4)n3)cn2)c1 ZINC000020295767 210325882 /nfs/dbraw/zinc/32/58/82/210325882.db2.gz OZTSECZUHNAKTO-UHFFFAOYSA-N 1 2 380.452 2.082 50 0 GEAALO Cc1cc(C)c(-n2c(O)c([C@@H]3[NH2+]CCc4ccccc43)c(=O)[nH]c2=O)c(C)c1 ZINC000020410550 210332073 /nfs/dbraw/zinc/33/20/73/210332073.db2.gz IOIBVYOJSLAKRI-GOSISDBHSA-N 1 2 377.444 2.392 50 0 GEAALO O=C([C@H]1CCC(=O)N(Cc2ccccn2)C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000019957214 210310966 /nfs/dbraw/zinc/31/09/66/210310966.db2.gz JHGZXJAAUYUYNL-KRWDZBQOSA-N 1 2 398.532 2.226 50 0 GEAALO COc1ccc(-n2nc(C(=O)N3CC[NH+](C)CC3)nc2-c2ccccc2)cc1 ZINC000020059751 210315081 /nfs/dbraw/zinc/31/50/81/210315081.db2.gz RGJXPHLPHPMZJC-UHFFFAOYSA-N 1 2 377.448 2.331 50 0 GEAALO Cc1ccc([C@@H]2CC(=O)c3c(C)nc(N4CC[NH+](CCO)CC4)nc3C2)cc1 ZINC000019938244 210308625 /nfs/dbraw/zinc/30/86/25/210308625.db2.gz GBBJDPNITAPOAV-SFHVURJKSA-N 1 2 380.492 2.120 50 0 GEAALO CCOC(=O)c1nn(CCCc2cccnc2)c2c1CN(Cc1[nH]cc[nH+]1)CC2 ZINC000019732485 210291812 /nfs/dbraw/zinc/29/18/12/210291812.db2.gz LUXWWKNGGZTQNP-UHFFFAOYSA-N 1 2 394.479 2.369 50 0 GEAALO O=C(C[NH+]1CCN(c2nc(-c3cccnc3)nc3ccccc32)CC1)NC1CC1 ZINC000058160562 136154742 /nfs/dbraw/zinc/15/47/42/136154742.db2.gz IAOSUTTWPFRYFK-UHFFFAOYSA-N 1 2 388.475 2.092 50 0 GEAALO O=C(C1CCN(c2cc(N3CCCCC3)[nH+]cn2)CC1)N1CCSCC1 ZINC000065236962 136160799 /nfs/dbraw/zinc/16/07/99/136160799.db2.gz BFQJBCZWZBSRMZ-UHFFFAOYSA-N 1 2 375.542 2.259 50 0 GEAALO O=C(C1CCN(c2cc(N3CCCCC3)nc[nH+]2)CC1)N1CCSCC1 ZINC000065236962 136160800 /nfs/dbraw/zinc/16/08/00/136160800.db2.gz BFQJBCZWZBSRMZ-UHFFFAOYSA-N 1 2 375.542 2.259 50 0 GEAALO O=C(Cn1ncc2c1nc[nH+]c2N1CCOCC1)Nc1ccc(F)cc1Cl ZINC000065295117 136162809 /nfs/dbraw/zinc/16/28/09/136162809.db2.gz OLROOAMMLUWITG-UHFFFAOYSA-N 1 2 390.806 2.094 50 0 GEAALO O=C(NCCNc1cc(N2CCOCC2)nc[nH+]1)Nc1ccc(Cl)cc1 ZINC000082230704 136174425 /nfs/dbraw/zinc/17/44/25/136174425.db2.gz CFVWPJPCSIKYNL-UHFFFAOYSA-N 1 2 376.848 2.200 50 0 GEAALO O=C(NCCNc1cc(N2CCOCC2)[nH+]cn1)Nc1ccc(Cl)cc1 ZINC000082230704 136174426 /nfs/dbraw/zinc/17/44/26/136174426.db2.gz CFVWPJPCSIKYNL-UHFFFAOYSA-N 1 2 376.848 2.200 50 0 GEAALO Cc1cc(N2CC[C@@]3(O)CCN(C(=O)N(C)C)C[C@H]3C2)nc(-c2ccccc2)[nH+]1 ZINC000095376465 136178420 /nfs/dbraw/zinc/17/84/20/136178420.db2.gz WRBVOYNHTGIWDC-XMSQKQJNSA-N 1 2 395.507 2.397 50 0 GEAALO Nc1cc(N2CCC3(CCC(=O)N(CCc4ccccc4)C3)CC2)nc(N)[nH+]1 ZINC000095497346 136179627 /nfs/dbraw/zinc/17/96/27/136179627.db2.gz DVYOPDIUYOUHHO-UHFFFAOYSA-N 1 2 380.496 2.093 50 0 GEAALO Nc1cc(N2CCC3(CCC(=O)N(CCc4ccccc4)C3)CC2)[nH+]c(N)n1 ZINC000095497346 136179628 /nfs/dbraw/zinc/17/96/28/136179628.db2.gz DVYOPDIUYOUHHO-UHFFFAOYSA-N 1 2 380.496 2.093 50 0 GEAALO CC(C)n1cc[nH+]c1C1CCN(C(=O)c2cnc(N3CCOCC3)nc2)CC1 ZINC000095498886 136179800 /nfs/dbraw/zinc/17/98/00/136179800.db2.gz ODRVHJKRYDPWOV-UHFFFAOYSA-N 1 2 384.484 2.110 50 0 GEAALO OC1(Cn2cc[nH+]c2)CCN(c2ncnc3c2Cc2ccccc2OC3)CC1 ZINC000095506471 136180157 /nfs/dbraw/zinc/18/01/57/136180157.db2.gz YXUHSFUVUSYMEO-UHFFFAOYSA-N 1 2 377.448 2.188 50 0 GEAALO COCCn1cc[nH+]c1C1CCN(C(=O)c2cccc(N3CCOCC3)c2)CC1 ZINC000095519260 136181001 /nfs/dbraw/zinc/18/10/01/136181001.db2.gz YZYYAFRJHXDSAH-UHFFFAOYSA-N 1 2 398.507 2.386 50 0 GEAALO O=C1c2ccccc2C(=O)N1CC[NH+]1CCN(c2ncnc3ccsc32)CC1 ZINC000124429768 136192420 /nfs/dbraw/zinc/19/24/20/136192420.db2.gz LNJMGVWIPTUCGD-UHFFFAOYSA-N 1 2 393.472 2.110 50 0 GEAALO O=C1c2ccccc2C(=O)N1CC[NH+]1CCN(c2ncnc3sccc32)CC1 ZINC000127544422 136192622 /nfs/dbraw/zinc/19/26/22/136192622.db2.gz OFKRWOKIOZUENY-UHFFFAOYSA-N 1 2 393.472 2.110 50 0 GEAALO Cc1cc(-n2cncn2)ccc1C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000155229945 136195873 /nfs/dbraw/zinc/19/58/73/136195873.db2.gz SDOUPZYWVYZGCO-UHFFFAOYSA-N 1 2 378.436 2.368 50 0 GEAALO NC(=O)c1ccc(C(=O)N2CCN(c3cc(C(F)(F)F)cc[nH+]3)CC2)cc1 ZINC000170600516 136198790 /nfs/dbraw/zinc/19/87/90/136198790.db2.gz UHFMENFEHMXOTJ-UHFFFAOYSA-N 1 2 378.354 2.162 50 0 GEAALO O=S(=O)(CCCOc1ccc(F)cc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000012440830 136200389 /nfs/dbraw/zinc/20/03/89/136200389.db2.gz WEOAELWZNWCQNV-UHFFFAOYSA-N 1 2 379.457 2.142 50 0 GEAALO C[C@H]1CN(c2ccc(CNC(=O)c3cc(OCC(F)F)ccn3)c[nH+]2)CCO1 ZINC000182495419 136201858 /nfs/dbraw/zinc/20/18/58/136201858.db2.gz RWFQXHACXKGMQI-ZDUSSCGKSA-N 1 2 392.406 2.276 50 0 GEAALO COc1ccccc1NC(=O)N1CCN(c2cc(-n3cc[nH+]c3)ncn2)CC1 ZINC000067601806 222149512 /nfs/dbraw/zinc/14/95/12/222149512.db2.gz MPGHMZYEGOHDNA-UHFFFAOYSA-N 1 2 379.424 2.025 50 0 GEAALO CC1(C(=O)N2CCC(Cn3cc(C[N@@H+]4CC[C@H](O)C4)nn3)CC2)CCCCC1 ZINC000023505341 520212595 /nfs/dbraw/zinc/21/25/95/520212595.db2.gz ACANXMRYFUSUJY-IBGZPJMESA-N 1 2 389.544 2.054 50 0 GEAALO CC1(C(=O)N2CCC(Cn3cc(C[N@H+]4CC[C@H](O)C4)nn3)CC2)CCCCC1 ZINC000023505341 520212604 /nfs/dbraw/zinc/21/26/04/520212604.db2.gz ACANXMRYFUSUJY-IBGZPJMESA-N 1 2 389.544 2.054 50 0 GEAALO COc1cc(NC(=O)C[NH+]2CCN(c3ccccc3OC)CC2)cc(OC)c1 ZINC000057363859 536836380 /nfs/dbraw/zinc/83/63/80/536836380.db2.gz VYUPXPYVSWKWSC-UHFFFAOYSA-N 1 2 385.464 2.473 50 0 GEAALO COc1ccccc1C(=O)Nc1cnc(N2CCN(c3cccc[nH+]3)CC2)nc1 ZINC000077196625 537001821 /nfs/dbraw/zinc/00/18/21/537001821.db2.gz MSJMTNMDGKAVTK-UHFFFAOYSA-N 1 2 390.447 2.459 50 0 GEAALO O=C(NCc1ccc[nH+]c1N1CCOCC1)Nc1nnc(-c2ccccn2)s1 ZINC000047790753 570215451 /nfs/dbraw/zinc/21/54/51/570215451.db2.gz NOFLFKIBLBDHRQ-UHFFFAOYSA-N 1 2 397.464 2.153 50 0 GEAALO C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000048217385 570220959 /nfs/dbraw/zinc/22/09/59/570220959.db2.gz WNAQOPOEMHIBMD-OAHLLOKOSA-N 1 2 385.430 2.070 50 0 GEAALO CC(C)COc1ccc(S(=O)(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000048286732 570227770 /nfs/dbraw/zinc/22/77/70/570227770.db2.gz GLEYALMIGPBWAE-IAGOWNOFSA-N 1 2 384.542 2.499 50 0 GEAALO COc1ccc2c(c1)N1CCN(c3cccc[nH+]3)C[C@H]1[C@H](C(=O)NC(C)C)C2 ZINC000230137793 570263733 /nfs/dbraw/zinc/26/37/33/570263733.db2.gz VXBSZBILJCVHRE-QUCCMNQESA-N 1 2 380.492 2.482 50 0 GEAALO O=C(NCc1ccc(F)cc1)c1cn(-c2cc(N3CCSCC3)[nH+]cn2)cn1 ZINC000049411296 570266474 /nfs/dbraw/zinc/26/64/74/570266474.db2.gz HKBWZSXDGCSKKH-UHFFFAOYSA-N 1 2 398.467 2.285 50 0 GEAALO Cc1ccc(CNC(=O)c2cn(-c3cc(N4CCSCC4)[nH+]cn3)cn2)cc1 ZINC000049411294 570266501 /nfs/dbraw/zinc/26/65/01/570266501.db2.gz HFDLOVHQFIGFGU-UHFFFAOYSA-N 1 2 394.504 2.454 50 0 GEAALO COc1ccnc(N2CC[NH+]([C@@H](C)C(=O)Nc3cccc4ncccc43)CC2)n1 ZINC000049981626 570272823 /nfs/dbraw/zinc/27/28/23/570272823.db2.gz IGNMKGZANLLMJE-HNNXBMFYSA-N 1 2 392.463 2.183 50 0 GEAALO Cc1c(Cl)c(C(F)(F)F)nn1[C@@H](C)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000022363035 570314274 /nfs/dbraw/zinc/31/42/74/570314274.db2.gz NCOMFOYYIDWEAR-KOLCDFICSA-N 1 2 382.814 2.262 50 0 GEAALO CC(C)C(=O)NCCNC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000043312786 570316795 /nfs/dbraw/zinc/31/67/95/570316795.db2.gz CTDLGWJVRWEPQP-HZPDHXFCSA-N 1 2 376.501 2.190 50 0 GEAALO O=C(CN1CC[NH+](Cc2sc3ccccc3c2Cl)CC1)N1CCNC1=O ZINC000022787853 570327855 /nfs/dbraw/zinc/32/78/55/570327855.db2.gz HQYRMFYWBFUDQN-UHFFFAOYSA-N 1 2 392.912 2.224 50 0 GEAALO Cc1cc(=O)c(C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)nn1-c1ccccc1 ZINC000023609257 570328124 /nfs/dbraw/zinc/32/81/24/570328124.db2.gz FUJNARKNYPOGMI-UHFFFAOYSA-N 1 2 381.461 2.238 50 0 GEAALO Cc1cc(=O)c(C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)nn1-c1ccccc1 ZINC000023609257 570328126 /nfs/dbraw/zinc/32/81/26/570328126.db2.gz FUJNARKNYPOGMI-UHFFFAOYSA-N 1 2 381.461 2.238 50 0 GEAALO C[C@H](C(=O)N(C)Cc1ccccc1)[NH+]1CCN(Cc2cn3ccccc3n2)CC1 ZINC000022926304 570336064 /nfs/dbraw/zinc/33/60/64/570336064.db2.gz UEIZJVSQPSYHAP-LJQANCHMSA-N 1 2 391.519 2.499 50 0 GEAALO CC[N@H+](CCCNC(=O)CN1c2cc(C)nn2CCC1=O)c1cccc(C)c1 ZINC000035374543 570346348 /nfs/dbraw/zinc/34/63/48/570346348.db2.gz UMCBOWIJGIXPAL-UHFFFAOYSA-N 1 2 383.496 2.269 50 0 GEAALO CC[N@@H+](CCCNC(=O)CN1c2cc(C)nn2CCC1=O)c1cccc(C)c1 ZINC000035374543 570346349 /nfs/dbraw/zinc/34/63/49/570346349.db2.gz UMCBOWIJGIXPAL-UHFFFAOYSA-N 1 2 383.496 2.269 50 0 GEAALO O=C(C[NH+]1CCN(c2ccc(F)cc2)CC1)Nc1ccc(N2CCOCC2)cc1 ZINC000055566579 570351602 /nfs/dbraw/zinc/35/16/02/570351602.db2.gz XKSRPXRKCRZPIY-UHFFFAOYSA-N 1 2 398.482 2.423 50 0 GEAALO O=C(Nc1ccccc1)N1CCC(Cn2cc(C[N@@H+]3CCCOCC3)nn2)CC1 ZINC000023337896 570354955 /nfs/dbraw/zinc/35/49/55/570354955.db2.gz QCICNTQGMFJRDA-UHFFFAOYSA-N 1 2 398.511 2.445 50 0 GEAALO O=C(Nc1ccccc1)N1CCC(Cn2cc(C[N@H+]3CCCOCC3)nn2)CC1 ZINC000023337896 570354957 /nfs/dbraw/zinc/35/49/57/570354957.db2.gz QCICNTQGMFJRDA-UHFFFAOYSA-N 1 2 398.511 2.445 50 0 GEAALO COC(=O)C[C@H](c1ccc(C)o1)c1c(O)cc(C)n(CCc2c[nH+]c[nH]2)c1=O ZINC000604404815 570361255 /nfs/dbraw/zinc/36/12/55/570361255.db2.gz SJCUDOIHVHONTE-OAHLLOKOSA-N 1 2 385.420 2.425 50 0 GEAALO COC(=O)C[C@H](c1ccc(C)o1)c1c(O)cc(C)n(CCc2c[nH]c[nH+]2)c1=O ZINC000604404815 570361259 /nfs/dbraw/zinc/36/12/59/570361259.db2.gz SJCUDOIHVHONTE-OAHLLOKOSA-N 1 2 385.420 2.425 50 0 GEAALO C[C@@]12C[C@@H](c3ccccc3O1)[C@H](C(N)=O)C(=O)N2CCc1cn2ccccc2[nH+]1 ZINC000604419582 570363550 /nfs/dbraw/zinc/36/35/50/570363550.db2.gz GDJSTLXWFFGZFV-NBCNXNJRSA-N 1 2 390.443 2.103 50 0 GEAALO Cn1ccnc1[C@H](O)c1cc2n(n1)CC[N@H+](CCCOc1ccc(F)cc1)C2 ZINC000219566635 570369049 /nfs/dbraw/zinc/36/90/49/570369049.db2.gz UUNBIWFFHBNDMX-LJQANCHMSA-N 1 2 385.443 2.122 50 0 GEAALO Cn1ccnc1[C@H](O)c1cc2n(n1)CC[N@@H+](CCCOc1ccc(F)cc1)C2 ZINC000219566635 570369054 /nfs/dbraw/zinc/36/90/54/570369054.db2.gz UUNBIWFFHBNDMX-LJQANCHMSA-N 1 2 385.443 2.122 50 0 GEAALO COc1ccc(OCC[NH+]2CCN(C(=O)CCc3c(C)noc3C)CC2)cc1 ZINC000023702093 570369587 /nfs/dbraw/zinc/36/95/87/570369587.db2.gz MPGSWVAYSJLPIT-UHFFFAOYSA-N 1 2 387.480 2.456 50 0 GEAALO CC[NH+]1CCN(C(=O)[C@H](C)Sc2n[nH]c(-c3ccc(OC)cc3)n2)CC1 ZINC000035570332 570401550 /nfs/dbraw/zinc/40/15/50/570401550.db2.gz UOQMRCAIYOLMLR-ZDUSSCGKSA-N 1 2 375.498 2.125 50 0 GEAALO CC[NH+]1CCN(C(=O)[C@H](C)Sc2nc(-c3ccc(OC)cc3)n[nH]2)CC1 ZINC000035570332 570401551 /nfs/dbraw/zinc/40/15/51/570401551.db2.gz UOQMRCAIYOLMLR-ZDUSSCGKSA-N 1 2 375.498 2.125 50 0 GEAALO Cc1ccccc1S(=O)(=O)Cc1ccc(C(=O)NCC[NH+]2CCCC2)o1 ZINC000005042756 570404983 /nfs/dbraw/zinc/40/49/83/570404983.db2.gz GPWGQSNXGXQVPN-UHFFFAOYSA-N 1 2 376.478 2.388 50 0 GEAALO CCC(=O)c1ccc(OC[C@@H](O)C[NH+]2CCN(c3nccs3)CC2)cc1 ZINC000025306773 570410455 /nfs/dbraw/zinc/41/04/55/570410455.db2.gz BRSSLSJHCGUHJG-INIZCTEOSA-N 1 2 375.494 2.298 50 0 GEAALO O=C(NCCCN1CCc2ccccc21)NCc1ccc[nH+]c1N1CCOCC1 ZINC000026385604 570425305 /nfs/dbraw/zinc/42/53/05/570425305.db2.gz ABFUDXLBIXOLCU-UHFFFAOYSA-N 1 2 395.507 2.170 50 0 GEAALO Cc1cnc2c(cccc2S(=O)(=O)NCc2cc[nH+]c(N3CCOCC3)c2)c1 ZINC000028054187 570450473 /nfs/dbraw/zinc/45/04/73/570450473.db2.gz GOWIBTKUDHDHAT-UHFFFAOYSA-N 1 2 398.488 2.253 50 0 GEAALO Cc1cnn(-c2ccc(C(=O)NCc3cc[nH+]c(N4CCOCC4)c3)cc2)c1 ZINC000044486859 570451351 /nfs/dbraw/zinc/45/13/51/570451351.db2.gz IBWDHNGZTLRTCX-UHFFFAOYSA-N 1 2 377.448 2.342 50 0 GEAALO O=C(CSc1nnnn1C1CCCC1)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000030217041 570487314 /nfs/dbraw/zinc/48/73/14/570487314.db2.gz YGTPJZRTQSENQQ-UHFFFAOYSA-N 1 2 397.508 2.442 50 0 GEAALO CN(C[C@@H](O)COc1ccc(C(F)(F)F)cc1)c1[nH+]cnc2c1cnn2C ZINC000054389172 570503541 /nfs/dbraw/zinc/50/35/41/570503541.db2.gz IGSOAJXHSUCQJZ-GFCCVEGCSA-N 1 2 381.358 2.258 50 0 GEAALO CC[C@@H](C)[C@H]1[NH2+]C2(CCN(S(=O)(=O)c3ccc(F)cc3)CC2)N(CC)C1=O ZINC000036029112 570513795 /nfs/dbraw/zinc/51/37/95/570513795.db2.gz UCGGZSIHAXXCJC-RHSMWYFYSA-N 1 2 397.516 2.173 50 0 GEAALO Cc1ccc(S(=O)(=O)N2CCN(Cc3cn4cc(C)ccc4[nH+]3)CC2)cc1 ZINC000006657903 570522176 /nfs/dbraw/zinc/52/21/76/570522176.db2.gz DBVWBRNAGGEXAH-UHFFFAOYSA-N 1 2 384.505 2.458 50 0 GEAALO COc1ccc(OC)c([C@@H]2CCCN2C(=O)NC[C@@H](C)[NH+]2CCOCC2)c1 ZINC000046264841 570550839 /nfs/dbraw/zinc/55/08/39/570550839.db2.gz CTKXICNVDIXQOW-QAPCUYQASA-N 1 2 377.485 2.271 50 0 GEAALO COc1ccc(CNC(=O)Cn2c[nH+]c3cc4c(cc32)OCCO4)cc1OC ZINC000064814328 570552233 /nfs/dbraw/zinc/55/22/33/570552233.db2.gz GQQYFNJQDTYOCZ-UHFFFAOYSA-N 1 2 383.404 2.141 50 0 GEAALO Cc1nc(-n2cccn2)cc(N2CCN(C(=O)Cc3ccc(F)cc3)CC2)[nH+]1 ZINC000035597271 570555328 /nfs/dbraw/zinc/55/53/28/570555328.db2.gz AOQUTSBSYPAGMY-UHFFFAOYSA-N 1 2 380.427 2.001 50 0 GEAALO O=C(Cc1ccc(F)cc1)N1CCN(c2cc(N3CCCCC3)[nH+]cn2)CC1 ZINC000038528403 570580232 /nfs/dbraw/zinc/58/02/32/570580232.db2.gz VJQAAOQZWAKIEX-UHFFFAOYSA-N 1 2 383.471 2.497 50 0 GEAALO O=C(Cc1ccc(F)cc1)N1CCN(c2cc(N3CCCCC3)nc[nH+]2)CC1 ZINC000038528403 570580235 /nfs/dbraw/zinc/58/02/35/570580235.db2.gz VJQAAOQZWAKIEX-UHFFFAOYSA-N 1 2 383.471 2.497 50 0 GEAALO COCCn1c(CN(C)Cc2[nH]cc(C)[nH+]2)cnc1S(=O)(=O)CC(C)(C)C ZINC000011818170 570585028 /nfs/dbraw/zinc/58/50/28/570585028.db2.gz WVIQHNDHDWXBJA-UHFFFAOYSA-N 1 2 397.545 2.013 50 0 GEAALO CCc1[nH+]c(C)nc(N2CCN(S(C)(=O)=O)CC2)c1Cc1ccc(F)cc1 ZINC000006776229 570585246 /nfs/dbraw/zinc/58/52/46/570585246.db2.gz VPGXCXMRRGYJTO-UHFFFAOYSA-N 1 2 392.500 2.159 50 0 GEAALO CC[C@H](C)C(=O)N1CC[NH+]([C@@H](C(=O)N2CCSCC2)C2CCCC2)CC1 ZINC000036251212 570587446 /nfs/dbraw/zinc/58/74/46/570587446.db2.gz UFLRNQBNAHQBQB-FUHWJXTLSA-N 1 2 381.586 2.311 50 0 GEAALO CC[C@H](C)C(=O)N1CC[NH+]([C@@H](C(=O)NCc2ccccn2)C2CCCC2)CC1 ZINC000036253555 570588146 /nfs/dbraw/zinc/58/81/46/570588146.db2.gz YYOKXBQMOLPDON-FXAWDEMLSA-N 1 2 386.540 2.447 50 0 GEAALO COc1cccc(CCNC(=O)C[C@@H]2C(=O)NCC[N@H+]2Cc2ccc(C)cc2)c1 ZINC000012029035 570599337 /nfs/dbraw/zinc/59/93/37/570599337.db2.gz ULLWYNXGDRZHCI-OAQYLSRUSA-N 1 2 395.503 2.053 50 0 GEAALO COc1cccc(CCNC(=O)C[C@@H]2C(=O)NCC[N@@H+]2Cc2ccc(C)cc2)c1 ZINC000012029035 570599344 /nfs/dbraw/zinc/59/93/44/570599344.db2.gz ULLWYNXGDRZHCI-OAQYLSRUSA-N 1 2 395.503 2.053 50 0 GEAALO COCCCC1CCN(C(=O)C[C@@H]2C(=O)NCC[N@H+]2Cc2ccccc2)CC1 ZINC000012058421 570603551 /nfs/dbraw/zinc/60/35/51/570603551.db2.gz CBIWHLDNTBNOKI-HXUWFJFHSA-N 1 2 387.524 2.042 50 0 GEAALO COCCCC1CCN(C(=O)C[C@@H]2C(=O)NCC[N@@H+]2Cc2ccccc2)CC1 ZINC000012058421 570603552 /nfs/dbraw/zinc/60/35/52/570603552.db2.gz CBIWHLDNTBNOKI-HXUWFJFHSA-N 1 2 387.524 2.042 50 0 GEAALO COc1ccc(CCN2C(=O)O[C@@H]3CN(c4nc(N(C)C)c(C)c[nH+]4)C[C@@H]32)cc1 ZINC000012091406 570607775 /nfs/dbraw/zinc/60/77/75/570607775.db2.gz SPHLPCFNEMWZFX-ZWKOTPCHSA-N 1 2 397.479 2.112 50 0 GEAALO Cc1ccc2c(c1)-c1c(cnn1CC(=O)N1CCN(c3cccc[nH+]3)CC1)CO2 ZINC000006805902 570608626 /nfs/dbraw/zinc/60/86/26/570608626.db2.gz KZURGJUBRKNAAO-UHFFFAOYSA-N 1 2 389.459 2.495 50 0 GEAALO CCS(=O)(=O)c1ncc(CN(C)Cc2[nH+]ccn2C)n1Cc1ccccc1 ZINC000012299910 570635276 /nfs/dbraw/zinc/63/52/76/570635276.db2.gz QAPFCLHJMXIJRK-UHFFFAOYSA-N 1 2 387.509 2.091 50 0 GEAALO CCOC(=O)C1C(C[NH+]2CCCCC2)=NC(=O)N[C@@H]1c1ccc2c(c1)OCO2 ZINC000054979050 570678942 /nfs/dbraw/zinc/67/89/42/570678942.db2.gz JHLUAITXEGGTQT-GOSISDBHSA-N 1 2 387.436 2.072 50 0 GEAALO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc2c(c1)OCCO2)c1ccc(F)cc1F ZINC000238899384 570679972 /nfs/dbraw/zinc/67/99/72/570679972.db2.gz GCWSFNOFVQYIHX-INIZCTEOSA-N 1 2 398.431 2.317 50 0 GEAALO CC1CC[NH+](Cc2nnnn2CCCC(=O)N(C)CC[C@@H]2CCCCO2)CC1 ZINC000012590331 570686494 /nfs/dbraw/zinc/68/64/94/570686494.db2.gz FPJJQAJNJLHRSD-SFHVURJKSA-N 1 2 392.548 2.103 50 0 GEAALO O=C(N[C@H]1C[C@H](c2nnc(CO)n2C2CC2)C1)c1ccccc1-c1[nH]cc[nH+]1 ZINC000244893097 570698475 /nfs/dbraw/zinc/69/84/75/570698475.db2.gz YVQNQAZHARPSQP-JOCQHMNTSA-N 1 2 378.436 2.171 50 0 GEAALO O=C(CCNC(=O)c1ccc(Cl)cc1)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000058134632 570710326 /nfs/dbraw/zinc/71/03/26/570710326.db2.gz VQJBQJTYECBYTL-UHFFFAOYSA-N 1 2 383.839 2.357 50 0 GEAALO COc1ccc2c(c1)ncc(C(=O)NCc1ccc(N3CCCC3)[nH+]c1)c2O ZINC000058173800 570716003 /nfs/dbraw/zinc/71/60/03/570716003.db2.gz YJGZCHMWKWHZRL-UHFFFAOYSA-N 1 2 378.432 2.462 50 0 GEAALO CCNC(=O)C[N@@H+]1CCCN(C(=O)COc2ccc(Cl)cc2Cl)CC1 ZINC000060093226 570740356 /nfs/dbraw/zinc/74/03/56/570740356.db2.gz FTKMCRKVHSKMFT-UHFFFAOYSA-N 1 2 388.295 2.043 50 0 GEAALO CCNC(=O)C[N@H+]1CCCN(C(=O)COc2ccc(Cl)cc2Cl)CC1 ZINC000060093226 570740360 /nfs/dbraw/zinc/74/03/60/570740360.db2.gz FTKMCRKVHSKMFT-UHFFFAOYSA-N 1 2 388.295 2.043 50 0 GEAALO Cc1nn(C(F)F)cc1S(=O)(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000036614877 570750777 /nfs/dbraw/zinc/75/07/77/570750777.db2.gz WSKGSGXMFSSAPZ-UHFFFAOYSA-N 1 2 384.452 2.402 50 0 GEAALO c1ccc(-c2nc(-c3ccc4c(c3)nnn4CC[NH+]3CCOCC3)no2)cc1 ZINC000065255042 570752944 /nfs/dbraw/zinc/75/29/44/570752944.db2.gz IGUJDLHHXYELOZ-UHFFFAOYSA-N 1 2 376.420 2.481 50 0 GEAALO CCOC(=O)c1ccc(N2CC[NH+](Cc3c(C)nn(C)c3Cl)CC2)nc1 ZINC000065356363 570759784 /nfs/dbraw/zinc/75/97/84/570759784.db2.gz NVBWYRXPKLWSIB-UHFFFAOYSA-N 1 2 377.876 2.276 50 0 GEAALO CC1CCN(S(=O)(=O)c2cccc(C(=O)NCCCn3cc[nH+]c3)c2)CC1 ZINC000065364279 570761033 /nfs/dbraw/zinc/76/10/33/570761033.db2.gz NPAKLGKAOOGAJX-UHFFFAOYSA-N 1 2 390.509 2.124 50 0 GEAALO Cc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1C(=O)N(C)c1ccccc1 ZINC000065364543 570761085 /nfs/dbraw/zinc/76/10/85/570761085.db2.gz JTXHQOPPCCLXSG-UHFFFAOYSA-N 1 2 387.505 2.208 50 0 GEAALO Cc1nnc(C[N@@H+](C)Cc2ccc(C(=O)Nc3c4c(nn3C)CCC4)cc2)o1 ZINC000065382431 570763164 /nfs/dbraw/zinc/76/31/64/570763164.db2.gz INDCUOBCKLLIFD-UHFFFAOYSA-N 1 2 380.452 2.485 50 0 GEAALO Cc1nnc(C[N@H+](C)Cc2ccc(C(=O)Nc3c4c(nn3C)CCC4)cc2)o1 ZINC000065382431 570763167 /nfs/dbraw/zinc/76/31/67/570763167.db2.gz INDCUOBCKLLIFD-UHFFFAOYSA-N 1 2 380.452 2.485 50 0 GEAALO CC[N@H+](CCCNC(=O)[C@H]1CCCN(c2cn[nH]c(=O)c2)C1)c1ccccc1 ZINC000065314130 570796155 /nfs/dbraw/zinc/79/61/55/570796155.db2.gz GEHIIIUCPKCUOX-KRWDZBQOSA-N 1 2 383.496 2.019 50 0 GEAALO CC[N@@H+](CCCNC(=O)[C@H]1CCCN(c2cn[nH]c(=O)c2)C1)c1ccccc1 ZINC000065314130 570796158 /nfs/dbraw/zinc/79/61/58/570796158.db2.gz GEHIIIUCPKCUOX-KRWDZBQOSA-N 1 2 383.496 2.019 50 0 GEAALO O=C(C[N@H+]1CCCN(C(=O)c2ccc(F)cc2)CC1)NCc1cccs1 ZINC000032776817 570799193 /nfs/dbraw/zinc/79/91/93/570799193.db2.gz RSMITERFDRGBQX-UHFFFAOYSA-N 1 2 375.469 2.352 50 0 GEAALO O=C(C[N@@H+]1CCCN(C(=O)c2ccc(F)cc2)CC1)NCc1cccs1 ZINC000032776817 570799195 /nfs/dbraw/zinc/79/91/95/570799195.db2.gz RSMITERFDRGBQX-UHFFFAOYSA-N 1 2 375.469 2.352 50 0 GEAALO C[C@H](C(=O)Nc1cccc(F)c1)N1CC[NH+](CC(=O)N2CCCCCC2)CC1 ZINC000032797342 570819500 /nfs/dbraw/zinc/81/95/00/570819500.db2.gz LLBLHJKHRMHEOU-QGZVFWFLSA-N 1 2 390.503 2.173 50 0 GEAALO COC(=O)CC[NH+]1CCN(S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)CC1 ZINC000024425904 570821958 /nfs/dbraw/zinc/82/19/58/570821958.db2.gz HELWXCAPIXXAML-UHFFFAOYSA-N 1 2 382.526 2.098 50 0 GEAALO COc1ccc(CCS(=O)(=O)NCC2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000043955283 570844422 /nfs/dbraw/zinc/84/44/22/570844422.db2.gz SAEQKBGVRNDAJK-UHFFFAOYSA-N 1 2 389.521 2.469 50 0 GEAALO CC(=O)N1CCc2cc(C(=O)N[C@H](C[NH+]3CCOCC3)c3ccccc3)ccc21 ZINC000032842964 570850967 /nfs/dbraw/zinc/85/09/67/570850967.db2.gz PPPFXSIJGAWWBE-OAQYLSRUSA-N 1 2 393.487 2.399 50 0 GEAALO CN(CC(=O)Nc1cccc(Cl)c1)C(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000170600644 570858635 /nfs/dbraw/zinc/85/86/35/570858635.db2.gz YXDJTDTYARMJGJ-KRWDZBQOSA-N 1 2 379.888 2.238 50 0 GEAALO CN(CC(=O)Nc1cccc(Cl)c1)C(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000170600644 570858637 /nfs/dbraw/zinc/85/86/37/570858637.db2.gz YXDJTDTYARMJGJ-KRWDZBQOSA-N 1 2 379.888 2.238 50 0 GEAALO Cc1cccc(NC(=O)N2CC[NH+](CCNC(=O)OCC(F)(F)F)CC2)c1 ZINC000170607480 570864465 /nfs/dbraw/zinc/86/44/65/570864465.db2.gz ZJDWRAMJZHQMLS-UHFFFAOYSA-N 1 2 388.390 2.433 50 0 GEAALO Cc1cc(C)n(CC2(CNC(=O)N3CC[NH+](Cc4cccnc4)CC3)CC2)n1 ZINC000534640116 570913252 /nfs/dbraw/zinc/91/32/52/570913252.db2.gz SXXBEWIKVLBAAW-UHFFFAOYSA-N 1 2 382.512 2.203 50 0 GEAALO C[C@@H](C[NH+]1CCOCC1)NC(=O)N(CCCO)Cc1cccc2ccccc21 ZINC000534649311 570917689 /nfs/dbraw/zinc/91/76/89/570917689.db2.gz LRIKURURQFTHMB-SFHVURJKSA-N 1 2 385.508 2.455 50 0 GEAALO Cc1cccnc1C[NH+]1CCN(C(=O)N[C@H](C)c2cn3ncsc3n2)CC1 ZINC000534673072 570921193 /nfs/dbraw/zinc/92/11/93/570921193.db2.gz ZXLDDRANOZLVMV-CQSZACIVSA-N 1 2 385.497 2.083 50 0 GEAALO Cn1nc2nc(N3CCN(c4cccc[nH+]4)CC3)nc(-c3cccs3)c2c1N ZINC000037358884 570931654 /nfs/dbraw/zinc/93/16/54/570931654.db2.gz UMUMQWQMFBJBJO-UHFFFAOYSA-N 1 2 392.492 2.396 50 0 GEAALO COc1cccc(OCC[NH+]2CCN(C(=O)N[C@H](C)C(F)(F)F)CC2)c1 ZINC000425685623 570962813 /nfs/dbraw/zinc/96/28/13/570962813.db2.gz MYVHHDJKLCYLEZ-CYBMUJFWSA-N 1 2 375.391 2.352 50 0 GEAALO Nc1nnc(SCC(=O)N2CCC(c3[nH+]ccn3CC3CC3)CC2)s1 ZINC000095523332 571088614 /nfs/dbraw/zinc/08/86/14/571088614.db2.gz RXYLVDZGUXCOPS-UHFFFAOYSA-N 1 2 378.527 2.225 50 0 GEAALO C[C@]1(c2ccccc2)NC(=O)N(NC(=O)C[N@@H+]2CCC[C@H]2c2cccs2)C1=O ZINC000241564215 231038936 /nfs/dbraw/zinc/03/89/36/231038936.db2.gz OSICHMUZODXZRO-MGPUTAFESA-N 1 2 398.488 2.383 50 0 GEAALO C[C@]1(c2ccccc2)NC(=O)N(NC(=O)C[N@H+]2CCC[C@H]2c2cccs2)C1=O ZINC000241564215 231038939 /nfs/dbraw/zinc/03/89/39/231038939.db2.gz OSICHMUZODXZRO-MGPUTAFESA-N 1 2 398.488 2.383 50 0 GEAALO Cc1nn(C)cc1NC(=O)C[N@@H+]1CCCN(c2nc3ccccc3s2)CC1 ZINC000252494880 231041964 /nfs/dbraw/zinc/04/19/64/231041964.db2.gz OHIKPYXCWKTZPO-UHFFFAOYSA-N 1 2 384.509 2.489 50 0 GEAALO Cc1nn(C)cc1NC(=O)C[N@H+]1CCCN(c2nc3ccccc3s2)CC1 ZINC000252494880 231041968 /nfs/dbraw/zinc/04/19/68/231041968.db2.gz OHIKPYXCWKTZPO-UHFFFAOYSA-N 1 2 384.509 2.489 50 0 GEAALO O=C(NCc1ccc(-c2ccccc2)cc1)N1CC[NH+](CCOCCO)CC1 ZINC000426685303 231252224 /nfs/dbraw/zinc/25/22/24/231252224.db2.gz MKIBRVZKRYONDZ-UHFFFAOYSA-N 1 2 383.492 2.190 50 0 GEAALO CCc1ccc(C[N@@H+]2CCc3c(C(=O)N[C@@H]4CCCNC4=O)csc3C2)nc1 ZINC000426574672 529644561 /nfs/dbraw/zinc/64/45/61/529644561.db2.gz FZBKYGLQTQWAHT-GOSISDBHSA-N 1 2 398.532 2.272 50 0 GEAALO CCc1ccc(C[N@H+]2CCc3c(C(=O)N[C@@H]4CCCNC4=O)csc3C2)nc1 ZINC000426574672 529644564 /nfs/dbraw/zinc/64/45/64/529644564.db2.gz FZBKYGLQTQWAHT-GOSISDBHSA-N 1 2 398.532 2.272 50 0 GEAALO COc1cccc(N2C(=O)C[C@H]([NH+]3CCN(c4cccc(OC)c4)CC3)C2=O)c1 ZINC000018179821 210214017 /nfs/dbraw/zinc/21/40/17/210214017.db2.gz RUCHLUILQKKJHD-FQEVSTJZSA-N 1 2 395.459 2.158 50 0 GEAALO Cc1cc(C(=O)Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2)c(C)o1 ZINC000016580248 210191309 /nfs/dbraw/zinc/19/13/09/210191309.db2.gz GRFYCXCATYXCTR-UHFFFAOYSA-N 1 2 377.466 2.085 50 0 GEAALO COc1ccc([C@H](NC(=O)Cn2c(=O)oc3ccccc32)c2[nH+]ccn2C)cc1 ZINC000016474533 210190510 /nfs/dbraw/zinc/19/05/10/210190510.db2.gz ZISSOFJOHMIXIF-IBGZPJMESA-N 1 2 392.415 2.242 50 0 GEAALO O=C(c1cccc(Cl)c1)N1CC[NH+](Cc2cc(=O)n3ccccc3n2)CC1 ZINC000015787103 210170505 /nfs/dbraw/zinc/17/05/05/210170505.db2.gz SMWQARLBKXDVDH-UHFFFAOYSA-N 1 2 382.851 2.306 50 0 GEAALO O=C(c1ccc2c(c1)nc1n(c2=O)CCCC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000015677439 210163081 /nfs/dbraw/zinc/16/30/81/210163081.db2.gz WBYMHICJCITSBV-UHFFFAOYSA-N 1 2 389.459 2.090 50 0 GEAALO CCCc1nnc(SCC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)[nH]1 ZINC000014147007 210105459 /nfs/dbraw/zinc/10/54/59/210105459.db2.gz HZXQCCFJNXINSJ-UHFFFAOYSA-N 1 2 375.498 2.320 50 0 GEAALO CCCc1nc(SCC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)n[nH]1 ZINC000014147007 210105462 /nfs/dbraw/zinc/10/54/62/210105462.db2.gz HZXQCCFJNXINSJ-UHFFFAOYSA-N 1 2 375.498 2.320 50 0 GEAALO CCCc1n[nH]c(SCC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)n1 ZINC000014147007 210105465 /nfs/dbraw/zinc/10/54/65/210105465.db2.gz HZXQCCFJNXINSJ-UHFFFAOYSA-N 1 2 375.498 2.320 50 0 GEAALO C[C@H]1CCCC[C@H]1NC(=O)C[NH+]1CCC(NS(=O)(=O)c2ccccc2)CC1 ZINC000014086145 210101587 /nfs/dbraw/zinc/10/15/87/210101587.db2.gz DETFNWWBHRTHKP-QFBILLFUSA-N 1 2 393.553 2.124 50 0 GEAALO NC(=O)CCS(=O)(=O)CC[N@@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000012771762 210007274 /nfs/dbraw/zinc/00/72/74/210007274.db2.gz LFKCSHWRIVRTAW-INIZCTEOSA-N 1 2 384.548 2.047 50 0 GEAALO NC(=O)CCS(=O)(=O)CC[N@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000012771762 210007277 /nfs/dbraw/zinc/00/72/77/210007277.db2.gz LFKCSHWRIVRTAW-INIZCTEOSA-N 1 2 384.548 2.047 50 0 GEAALO CCN(C(=O)[C@@H](C)[N@H+](C)Cc1ccc(SC)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000012795405 210012027 /nfs/dbraw/zinc/01/20/27/210012027.db2.gz HPVMOMKZFOGECM-ZBFHGGJFSA-N 1 2 384.567 2.264 50 0 GEAALO CCN(C(=O)[C@@H](C)[N@@H+](C)Cc1ccc(SC)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000012795405 210012032 /nfs/dbraw/zinc/01/20/32/210012032.db2.gz HPVMOMKZFOGECM-ZBFHGGJFSA-N 1 2 384.567 2.264 50 0 GEAALO CCN(C(=O)[C@H](C)[N@H+](C)Cc1ccc(SC)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000012795416 210011519 /nfs/dbraw/zinc/01/15/19/210011519.db2.gz HPVMOMKZFOGECM-HOCLYGCPSA-N 1 2 384.567 2.264 50 0 GEAALO CCN(C(=O)[C@H](C)[N@@H+](C)Cc1ccc(SC)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000012795416 210011521 /nfs/dbraw/zinc/01/15/21/210011521.db2.gz HPVMOMKZFOGECM-HOCLYGCPSA-N 1 2 384.567 2.264 50 0 GEAALO O=C(Cc1ccc2c(c1)CCO2)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000012776063 210006469 /nfs/dbraw/zinc/00/64/69/210006469.db2.gz ZETFVJBAZSCZLD-UHFFFAOYSA-N 1 2 393.487 2.383 50 0 GEAALO C[C@H]1C[NH+](CCCNS(=O)(=O)c2ccc(C(F)(F)F)cc2)C[C@H](C)O1 ZINC000048279883 531728593 /nfs/dbraw/zinc/72/85/93/531728593.db2.gz WIHTUSLHABWTAD-STQMWFEESA-N 1 2 380.432 2.483 50 0 GEAALO Cc1[nH+]c2ccccc2n1CCNC(=O)Cc1csc(N2CCCC2=O)n1 ZINC000008135944 209764867 /nfs/dbraw/zinc/76/48/67/209764867.db2.gz GMJFATJRYPFPNR-UHFFFAOYSA-N 1 2 383.477 2.287 50 0 GEAALO CCc1ccc(N2C[C@H](C(=O)N3CCN(c4cccc[nH+]4)CC3)CC2=O)cc1 ZINC000007784076 209744942 /nfs/dbraw/zinc/74/49/42/209744942.db2.gz JZMOXNIPADXEKF-GOSISDBHSA-N 1 2 378.476 2.346 50 0 GEAALO CC[C@@H](C)NC(=O)c1cn(CC)c2cc(N3CC[NH+](C)CC3)c(F)cc2c1=O ZINC000002269698 209354049 /nfs/dbraw/zinc/35/40/49/209354049.db2.gz QVJWURGRYYJACU-CQSZACIVSA-N 1 2 388.487 2.441 50 0 GEAALO Cc1nnnn1/C(=C/c1ccccc1)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000096861329 209241435 /nfs/dbraw/zinc/24/14/35/209241435.db2.gz WOXRKKVKJNRLNB-XMHGGMMESA-N 1 2 394.504 2.386 50 0 GEAALO Cc1ccc(C[N@@H+]2CCNC(=O)[C@@H]2CC(=O)N(C)C2CCSCC2)cc1 ZINC000299757506 212031376 /nfs/dbraw/zinc/03/13/76/212031376.db2.gz IHDUPRSZMDZYSR-SFHVURJKSA-N 1 2 375.538 2.040 50 0 GEAALO Cc1ccc(C[N@H+]2CCNC(=O)[C@@H]2CC(=O)N(C)C2CCSCC2)cc1 ZINC000299757506 212031379 /nfs/dbraw/zinc/03/13/79/212031379.db2.gz IHDUPRSZMDZYSR-SFHVURJKSA-N 1 2 375.538 2.040 50 0 GEAALO COc1ccc(Cl)cc1NC(=O)N1CCCO[C@@H](C[NH+]2CCOCC2)C1 ZINC000299758032 212031564 /nfs/dbraw/zinc/03/15/64/212031564.db2.gz KHTRFLUHPOUTGW-HNNXBMFYSA-N 1 2 383.876 2.304 50 0 GEAALO O=C(N[C@@H]1CCOC[C@H]1OCC1CCC1)c1cnc(C[NH+]2CCCC2)s1 ZINC000219399521 211771662 /nfs/dbraw/zinc/77/16/62/211771662.db2.gz JCJQQGDOVKOCNG-HZPDHXFCSA-N 1 2 379.526 2.443 50 0 GEAALO CS(=O)(=O)N1CCCC[C@@H]1CCNC(=O)c1cccc(-c2[nH]cc[nH+]2)c1 ZINC000097551444 211366867 /nfs/dbraw/zinc/36/68/67/211366867.db2.gz JXIWFIZRTVHOLE-MRXNPFEDSA-N 1 2 376.482 2.011 50 0 GEAALO O=C(C[NH+]1CCN(C(=O)Cc2coc3cc4c(cc23)CCC4)CC1)N1CCCC1 ZINC000096888423 211349620 /nfs/dbraw/zinc/34/96/20/211349620.db2.gz UVEMYGRBUXDMQU-UHFFFAOYSA-N 1 2 395.503 2.231 50 0 GEAALO COc1ccc(Cn2nnc3cc(C(=O)NCCc4c[nH+]c[nH]4)ccc32)cc1 ZINC000096325955 211334789 /nfs/dbraw/zinc/33/47/89/211334789.db2.gz KUXYVOPHMYQCDU-UHFFFAOYSA-N 1 2 376.420 2.184 50 0 GEAALO COc1ccc(Cn2nnc3cc(C(=O)NCCc4c[nH]c[nH+]4)ccc32)cc1 ZINC000096325955 211334792 /nfs/dbraw/zinc/33/47/92/211334792.db2.gz KUXYVOPHMYQCDU-UHFFFAOYSA-N 1 2 376.420 2.184 50 0 GEAALO CCOc1ccc(C(=O)N2CCC(c3nnc(C[NH+]4CCCC4)n3C)CC2)o1 ZINC000096147898 211310278 /nfs/dbraw/zinc/31/02/78/211310278.db2.gz VELIPTRFHYYIQY-UHFFFAOYSA-N 1 2 387.484 2.422 50 0 GEAALO Cc1cc(Br)cc(C)c1NCc1[nH+]ccn1CC(=O)NC(N)=O ZINC000096012842 211293779 /nfs/dbraw/zinc/29/37/79/211293779.db2.gz UYCTWNHVVFWYGF-UHFFFAOYSA-N 1 2 380.246 2.069 50 0 GEAALO Cc1cnc(C(=O)N2CCC(c3nnc(C[NH+]4CCCC4)n3C3CC3)CC2)cn1 ZINC000096137637 211305895 /nfs/dbraw/zinc/30/58/95/211305895.db2.gz GGECRSINDDXHPG-UHFFFAOYSA-N 1 2 395.511 2.327 50 0 GEAALO CCn1cc(C[N@H+](C)CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)cn1 ZINC000095959506 211287059 /nfs/dbraw/zinc/28/70/59/211287059.db2.gz JEURCUXISZRAEC-SFHVURJKSA-N 1 2 384.480 2.470 50 0 GEAALO CCn1cc(C[N@@H+](C)CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)cn1 ZINC000095959506 211287061 /nfs/dbraw/zinc/28/70/61/211287061.db2.gz JEURCUXISZRAEC-SFHVURJKSA-N 1 2 384.480 2.470 50 0 GEAALO C[C@H](NC(=O)CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000095947659 211285070 /nfs/dbraw/zinc/28/50/70/211285070.db2.gz ORRNVKXYSGREIG-WBAXXEDZSA-N 1 2 378.432 2.001 50 0 GEAALO O=C([C@@H]1CCS(=O)(=O)C1)N1CCC(c2[nH+]ccn2Cc2ccccc2)CC1 ZINC000095526988 211271612 /nfs/dbraw/zinc/27/16/12/211271612.db2.gz HBBYOIDHZGEKKC-GOSISDBHSA-N 1 2 387.505 2.072 50 0 GEAALO CCC(=O)N1CCc2[nH]c[nH+]c2C12CCN(C(=O)CCc1c(C)noc1C)CC2 ZINC000095520016 211267619 /nfs/dbraw/zinc/26/76/19/211267619.db2.gz JQCRAOUYFBHUMF-UHFFFAOYSA-N 1 2 399.495 2.260 50 0 GEAALO COCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2cccc(-n3cnnc3)c2)C1 ZINC000095522008 211267540 /nfs/dbraw/zinc/26/75/40/211267540.db2.gz XCVQISSIWWWMNE-QGZVFWFLSA-N 1 2 380.452 2.130 50 0 GEAALO Cc1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CC[NH+](C)CC3)c2)c1 ZINC000095482518 211251717 /nfs/dbraw/zinc/25/17/17/211251717.db2.gz KLMTVVLOLOBKOX-UHFFFAOYSA-N 1 2 387.505 2.492 50 0 GEAALO Cn1cc[nH+]c1CNC(=O)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1 ZINC000095497525 211251598 /nfs/dbraw/zinc/25/15/98/211251598.db2.gz NWCDZXBXKXRPLV-UHFFFAOYSA-N 1 2 382.464 2.130 50 0 GEAALO CCCc1n[nH]cc1C(=O)N1CCC2(CC1)c1[nH+]c[nH]c1CCN2C(=O)C1CC1 ZINC000095518283 211263476 /nfs/dbraw/zinc/26/34/76/211263476.db2.gz NDZCMQQXQOZBAL-UHFFFAOYSA-N 1 2 396.495 2.012 50 0 GEAALO NC(=O)Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)Cc2cccc3ccccc32)C1 ZINC000095507853 211260305 /nfs/dbraw/zinc/26/03/05/211260305.db2.gz RRNKTYDYLVGOPM-GOSISDBHSA-N 1 2 376.460 2.470 50 0 GEAALO NC(=O)Cn1cc[nH+]c1[C@H]1CCCN(C(=O)Cc2cccc3ccccc32)C1 ZINC000095507852 211260062 /nfs/dbraw/zinc/26/00/62/211260062.db2.gz RRNKTYDYLVGOPM-SFHVURJKSA-N 1 2 376.460 2.470 50 0 GEAALO CCC(=O)N1CCc2[nH]c[nH+]c2C12CCN(C(=O)[C@@H]1Cc3ccccc3O1)CC2 ZINC000095508636 211259565 /nfs/dbraw/zinc/25/95/65/211259565.db2.gz XQYRDPWYQIHLBR-SFHVURJKSA-N 1 2 394.475 2.026 50 0 GEAALO COCCNS(=O)(=O)c1cccc(C[NH2+][C@H](C)c2nc3c(s2)CCC3)c1 ZINC000095451023 211240955 /nfs/dbraw/zinc/24/09/55/211240955.db2.gz HYEBDSMOKVDMMJ-CYBMUJFWSA-N 1 2 395.550 2.407 50 0 GEAALO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)c1cccc(-n2cnnn2)c1 ZINC000095393048 211237045 /nfs/dbraw/zinc/23/70/45/211237045.db2.gz LQWCDXVEIZVRHP-UHFFFAOYSA-N 1 2 377.452 2.368 50 0 GEAALO CCOC(=O)CC1(CNc2[nH+]cnc3c2cnn3CC(=O)OC)CCCCC1 ZINC000095443227 211241268 /nfs/dbraw/zinc/24/12/68/211241268.db2.gz QJVKNFPVGCBESE-UHFFFAOYSA-N 1 2 389.456 2.315 50 0 GEAALO O=C1CCC2(CC[NH+](Cc3noc(C4CCCC4)n3)CC2)CN1CCCO ZINC000092062478 211214824 /nfs/dbraw/zinc/21/48/24/211214824.db2.gz MOKYGDVOWBEUJP-UHFFFAOYSA-N 1 2 376.501 2.314 50 0 GEAALO O=C(NCc1c[nH+]c2ccccn12)c1cnc(COc2ccccc2)[nH]c1=O ZINC000092077887 211214871 /nfs/dbraw/zinc/21/48/71/211214871.db2.gz PVELBTMTCPCTIO-UHFFFAOYSA-N 1 2 375.388 2.339 50 0 GEAALO CSCc1noc(C[NH+]2CCC3(CCC(=O)N(C[C@@H]4CCCO4)C3)CC2)n1 ZINC000092077738 211213950 /nfs/dbraw/zinc/21/39/50/211213950.db2.gz HXMRVAVFYMWVFA-HNNXBMFYSA-N 1 2 394.541 2.316 50 0 GEAALO C[N@H+](Cc1[nH]nc2c1CCCCC2)Cc1cc(=O)c2cc(C(N)=O)ccc2[nH]1 ZINC000091657368 211201653 /nfs/dbraw/zinc/20/16/53/211201653.db2.gz OXBPKIRSGOGNML-UHFFFAOYSA-N 1 2 379.464 2.251 50 0 GEAALO C[N@@H+](Cc1[nH]nc2c1CCCCC2)Cc1cc(=O)c2cc(C(N)=O)ccc2[nH]1 ZINC000091657368 211201658 /nfs/dbraw/zinc/20/16/58/211201658.db2.gz OXBPKIRSGOGNML-UHFFFAOYSA-N 1 2 379.464 2.251 50 0 GEAALO CC[C@@H](Cn1cc[nH+]c1)NC(=O)c1coc(COc2ccc3c(c2)OCO3)n1 ZINC000091770430 211206275 /nfs/dbraw/zinc/20/62/75/211206275.db2.gz XDPLZQIVOAZVPA-ZDUSSCGKSA-N 1 2 384.392 2.387 50 0 GEAALO COCCn1cc[nH+]c1C1CCN(C(=O)c2c[nH]c(=O)c3ccccc23)CC1 ZINC000091305415 211189679 /nfs/dbraw/zinc/18/96/79/211189679.db2.gz HKVSDTSFFLNGOD-UHFFFAOYSA-N 1 2 380.448 2.391 50 0 GEAALO CC(=O)N1CCc2[nH]c[nH+]c2C12CCN(C(=O)[C@@H](C)Oc1ccccc1)CC2 ZINC000091468881 211194180 /nfs/dbraw/zinc/19/41/80/211194180.db2.gz NFAITFTXEYYPHL-OAHLLOKOSA-N 1 2 382.464 2.100 50 0 GEAALO CCn1c(C[NH+]2CCCC2)nnc1C1CCN(C(=O)C2(COC)CCC2)CC1 ZINC000082098123 211160069 /nfs/dbraw/zinc/16/00/69/211160069.db2.gz QWNIQCFUCCCHHM-UHFFFAOYSA-N 1 2 389.544 2.417 50 0 GEAALO COC(=O)CCCc1nc(C[NH2+]C2(c3ccc(F)cc3)CCOCC2)no1 ZINC000078806183 211149519 /nfs/dbraw/zinc/14/95/19/211149519.db2.gz VENJIRSCADRLQR-UHFFFAOYSA-N 1 2 377.416 2.500 50 0 GEAALO COc1cc2c(cc1C[N@@H+]1CCOC[C@@H]1CC(=O)N1CCSCC1)CCC2 ZINC000072479187 211124557 /nfs/dbraw/zinc/12/45/57/211124557.db2.gz YZHNKIZADTXCSQ-IBGZPJMESA-N 1 2 390.549 2.350 50 0 GEAALO COc1cc2c(cc1C[N@H+]1CCOC[C@@H]1CC(=O)N1CCSCC1)CCC2 ZINC000072479187 211124562 /nfs/dbraw/zinc/12/45/62/211124562.db2.gz YZHNKIZADTXCSQ-IBGZPJMESA-N 1 2 390.549 2.350 50 0 GEAALO O=C([O-])CCc1cc2n(n1)CCC[N@H+](Cc1cccc(C[NH+]3CCOCC3)c1)C2 ZINC000072458453 211121699 /nfs/dbraw/zinc/12/16/99/211121699.db2.gz ZMFZGZNQIONLLA-UHFFFAOYSA-N 1 2 398.507 2.138 50 0 GEAALO O=C([O-])CCc1cc2n(n1)CCC[N@@H+](Cc1cccc(C[NH+]3CCOCC3)c1)C2 ZINC000072458453 211121703 /nfs/dbraw/zinc/12/17/03/211121703.db2.gz ZMFZGZNQIONLLA-UHFFFAOYSA-N 1 2 398.507 2.138 50 0 GEAALO COc1ccc2cc([C@H]3CN(C(=O)c4cn5c(n4)C[NH2+]CC5)CCO3)ccc2c1 ZINC000072149457 211076603 /nfs/dbraw/zinc/07/66/03/211076603.db2.gz IFTOIKCXSOXEPW-HXUWFJFHSA-N 1 2 392.459 2.362 50 0 GEAALO CC(C)c1ccc(S(=O)(=O)c2cnc(N3CCC[N@H+](C)CC3)nc2N)cc1 ZINC000071771713 211062395 /nfs/dbraw/zinc/06/23/95/211062395.db2.gz WAUFXINQAUHCKJ-UHFFFAOYSA-N 1 2 389.525 2.157 50 0 GEAALO CC(C)c1ccc(S(=O)(=O)c2cnc(N3CCC[N@@H+](C)CC3)nc2N)cc1 ZINC000071771713 211062397 /nfs/dbraw/zinc/06/23/97/211062397.db2.gz WAUFXINQAUHCKJ-UHFFFAOYSA-N 1 2 389.525 2.157 50 0 GEAALO COCCNc1[nH+]c2cc(C(=O)N3CCO[C@H](C(F)(F)F)C3)ccc2n1C ZINC000071757156 211058523 /nfs/dbraw/zinc/05/85/23/211058523.db2.gz YBBQYWZZBHIADF-AWEZNQCLSA-N 1 2 386.374 2.035 50 0 GEAALO O=C(c1cc(C[NH+]2CCC(O)CC2)on1)N1CCc2c(Cl)cccc2C1 ZINC000067818083 211023296 /nfs/dbraw/zinc/02/32/96/211023296.db2.gz ZLTUVVFTRAWXPP-UHFFFAOYSA-N 1 2 375.856 2.483 50 0 GEAALO COC(=O)C[NH+]1CCC(n2nccc2NC(=O)Nc2ccccc2OC)CC1 ZINC000067433201 211010666 /nfs/dbraw/zinc/01/06/66/211010666.db2.gz OJDMZSCERVOWLI-UHFFFAOYSA-N 1 2 387.440 2.346 50 0 GEAALO Cc1c(F)cccc1NC(=O)N1CCN(c2cc(-n3cc[nH+]c3)ncn2)CC1 ZINC000067621152 211013581 /nfs/dbraw/zinc/01/35/81/211013581.db2.gz FWRIPUOZUCKTJR-UHFFFAOYSA-N 1 2 381.415 2.464 50 0 GEAALO O=C(c1cn(-c2ccccc2)nc1-c1ccccc1)N1CC[NH+](CCO)CC1 ZINC000021236349 210380707 /nfs/dbraw/zinc/38/07/07/210380707.db2.gz UHWQYNQLLJXLEI-UHFFFAOYSA-N 1 2 376.460 2.289 50 0 GEAALO Cn1cc(C[N@H+](C)CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C(F)(F)F)cn1 ZINC000021308601 210379910 /nfs/dbraw/zinc/37/99/10/210379910.db2.gz HLAMKNRYNNHBLL-OAHLLOKOSA-N 1 2 395.385 2.158 50 0 GEAALO Cn1cc(C[N@@H+](C)CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C(F)(F)F)cn1 ZINC000021308601 210379915 /nfs/dbraw/zinc/37/99/15/210379915.db2.gz HLAMKNRYNNHBLL-OAHLLOKOSA-N 1 2 395.385 2.158 50 0 GEAALO CCN1CC[NH+](C2(C(=O)N[C@@H](C)Cc3ccccn3)Cc3ccccc3C2)CC1 ZINC000020912609 210369620 /nfs/dbraw/zinc/36/96/20/210369620.db2.gz FVBIWDUBBFUNKA-IBGZPJMESA-N 1 2 392.547 2.304 50 0 GEAALO CCOC(=O)N1CC[NH+]([C@@H]2CCCN(Cc3c(C)nn(C)c3Cl)C2)CC1 ZINC000020919109 210369556 /nfs/dbraw/zinc/36/95/56/210369556.db2.gz HHRHQFZAXZBWCE-OAHLLOKOSA-N 1 2 383.924 2.120 50 0 GEAALO Cc1ccsc1CN(C)C(=O)Nc1nnc(CC[NH+]2CCOCC2)s1 ZINC000020908738 210368542 /nfs/dbraw/zinc/36/85/42/210368542.db2.gz KZSGBTCVENSXMO-UHFFFAOYSA-N 1 2 381.527 2.447 50 0 GEAALO NC(=O)c1ccccc1NC(=O)CN1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000020494613 210341912 /nfs/dbraw/zinc/34/19/12/210341912.db2.gz LWYKQNCEJFEXMV-UHFFFAOYSA-N 1 2 386.883 2.195 50 0 GEAALO C[NH+]1CCN(C2(CNC(=O)[C@H]3CC(=O)N(c4ccccc4)C3)CCCCC2)CC1 ZINC000020412646 210330726 /nfs/dbraw/zinc/33/07/26/210330726.db2.gz GGVIQCRHQGEBKH-IBGZPJMESA-N 1 2 398.551 2.106 50 0 GEAALO O=C(c1ccoc1)N1CCC[C@H](N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000020212080 210321801 /nfs/dbraw/zinc/32/18/01/210321801.db2.gz QFRKXFVSPSEZQA-IBGZPJMESA-N 1 2 397.475 2.431 50 0 GEAALO c1ccc([C@@H]2NC3=[NH+]CN(C[C@@H]4CCCO4)CN3c3nc4ccccc4n32)nc1 ZINC000020101464 210316155 /nfs/dbraw/zinc/31/61/55/210316155.db2.gz ZWEYEQXNLPEXDB-HNAYVOBHSA-N 1 2 389.463 2.153 50 0 GEAALO Cc1ccn([C@@H](C(=O)c2cccc(Cl)c2)C(=O)N2CC[NH+](C)CC2)c(=O)c1 ZINC000019840731 210302011 /nfs/dbraw/zinc/30/20/11/210302011.db2.gz VOVFNNHOVVFUPE-SFHVURJKSA-N 1 2 387.867 2.008 50 0 GEAALO COc1cc(C[NH+]2CCN(C(=O)COc3ccccc3)CC2)cc(OC)c1O ZINC000019841946 210301231 /nfs/dbraw/zinc/30/12/31/210301231.db2.gz NMBABKSXJROVQZ-UHFFFAOYSA-N 1 2 386.448 2.133 50 0 GEAALO COc1cc(Cl)c(S(=O)(=O)NCCC[NH+]2CCOCC2)cc1Cl ZINC000019619347 210275344 /nfs/dbraw/zinc/27/53/44/210275344.db2.gz WJCQAPKONOFLCJ-UHFFFAOYSA-N 1 2 383.297 2.003 50 0 GEAALO CC(C)(CNC(=O)c1coc(COc2ccc(F)cc2)n1)[NH+]1CCOCC1 ZINC000019608210 210274137 /nfs/dbraw/zinc/27/41/37/210274137.db2.gz CNUBMNOYRWWSSR-UHFFFAOYSA-N 1 2 377.416 2.233 50 0 GEAALO CCOC(=O)C1=C(CSc2nc(N)cc(C)[nH+]2)NC(=O)N[C@@H]1c1ccccc1 ZINC000008725788 221052957 /nfs/dbraw/zinc/05/29/57/221052957.db2.gz WCELNLYZMRADDO-MRXNPFEDSA-N 1 2 399.476 2.331 50 0 GEAALO COc1ccc(C[N@@H+]2CCNC(=O)[C@@H]2CC(=O)N2CCCCCC2)c(C)c1C ZINC000011838713 221130588 /nfs/dbraw/zinc/13/05/88/221130588.db2.gz NQQMRAWDTWJXJC-IBGZPJMESA-N 1 2 387.524 2.405 50 0 GEAALO COc1ccc(C[N@H+]2CCNC(=O)[C@@H]2CC(=O)N2CCCCCC2)c(C)c1C ZINC000011838713 221130591 /nfs/dbraw/zinc/13/05/91/221130591.db2.gz NQQMRAWDTWJXJC-IBGZPJMESA-N 1 2 387.524 2.405 50 0 GEAALO CC(C)n1ncc2cc(C(=O)NCc3ccc(N4CCOCC4)[nH+]c3)cnc21 ZINC000011153704 221110781 /nfs/dbraw/zinc/11/07/81/221110781.db2.gz VIGQEQIACLSWIM-UHFFFAOYSA-N 1 2 380.452 2.174 50 0 GEAALO COc1ccc(CN(Cc2ccncc2)C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000426717007 533550604 /nfs/dbraw/zinc/55/06/04/533550604.db2.gz QOBJCDARKMAIAT-UHFFFAOYSA-N 1 2 384.480 2.134 50 0 GEAALO Cn1cnnc1SCC(=O)NCc1ccc[nH+]c1N1CCc2ccccc2C1 ZINC000039518538 132391536 /nfs/dbraw/zinc/39/15/36/132391536.db2.gz RMYBXUQTEKTSMO-UHFFFAOYSA-N 1 2 394.504 2.181 50 0 GEAALO Cc1ccccc1N1CC[NH+](CC(=O)NC[C@H]2COc3ccccc3O2)CC1 ZINC000057798796 136154114 /nfs/dbraw/zinc/15/41/14/136154114.db2.gz KRERAUQVPXXWMW-SFHVURJKSA-N 1 2 381.476 2.073 50 0 GEAALO Cc1cccc2[nH+]c([C@@H]3CCCN(c4ccnc(C(=O)NCCO)c4)C3)[nH]c21 ZINC000072156997 136166994 /nfs/dbraw/zinc/16/69/94/136166994.db2.gz UVMQIBHPHNRGHA-OAHLLOKOSA-N 1 2 379.464 2.372 50 0 GEAALO Cc1cccc2[nH]c([C@@H]3CCCN(c4ccnc(C(=O)NCCO)c4)C3)[nH+]c21 ZINC000072156997 136166995 /nfs/dbraw/zinc/16/69/95/136166995.db2.gz UVMQIBHPHNRGHA-OAHLLOKOSA-N 1 2 379.464 2.372 50 0 GEAALO O=C(c1ncccc1O)N1CCC[C@@H]([NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000072159157 136167175 /nfs/dbraw/zinc/16/71/75/136167175.db2.gz ODDBTPHOJWKXRO-GOSISDBHSA-N 1 2 384.455 2.353 50 0 GEAALO COc1cccc(N2CCN(C(=O)[C@@H](c3ccccc3F)[NH+](C)C)CC2=O)c1 ZINC000082097135 136173410 /nfs/dbraw/zinc/17/34/10/136173410.db2.gz ZJJLWJODNGATQH-HXUWFJFHSA-N 1 2 385.439 2.312 50 0 GEAALO Cc1ccccc1N1CCN(C(=O)C[N@@H+]2CCOc3ccccc3C2)CC1=O ZINC000082121826 136173838 /nfs/dbraw/zinc/17/38/38/136173838.db2.gz UQBBSYYDXUIZLO-UHFFFAOYSA-N 1 2 379.460 2.065 50 0 GEAALO Cc1ccccc1N1CCN(C(=O)C[N@H+]2CCOc3ccccc3C2)CC1=O ZINC000082121826 136173839 /nfs/dbraw/zinc/17/38/39/136173839.db2.gz UQBBSYYDXUIZLO-UHFFFAOYSA-N 1 2 379.460 2.065 50 0 GEAALO C[C@@H]1CC(=O)N[NH+]=C1c1ccc(N2CCN(C(=O)Cc3ccccc3)CC2)cc1 ZINC000005141587 136194595 /nfs/dbraw/zinc/19/45/95/136194595.db2.gz BKSVCUXTOGGKCO-QGZVFWFLSA-N 1 2 390.487 2.438 50 0 GEAALO Cc1noc(C)c1C[N@@H+]1CCc2c(C(=O)N3CC[C@@H](CO)C3)csc2C1 ZINC000426588801 534361939 /nfs/dbraw/zinc/36/19/39/534361939.db2.gz BTUJBCLPOCAUNS-CQSZACIVSA-N 1 2 375.494 2.366 50 0 GEAALO Cc1noc(C)c1C[N@H+]1CCc2c(C(=O)N3CC[C@@H](CO)C3)csc2C1 ZINC000426588801 534361943 /nfs/dbraw/zinc/36/19/43/534361943.db2.gz BTUJBCLPOCAUNS-CQSZACIVSA-N 1 2 375.494 2.366 50 0 GEAALO Cc1sc2[nH]c(CC(=O)NCc3ccc(-n4cc[nH+]c4)nc3)nc(=O)c2c1C ZINC000024751406 526889977 /nfs/dbraw/zinc/88/99/77/526889977.db2.gz RTIQCTQCHVPVRI-UHFFFAOYSA-N 1 2 394.460 2.041 50 0 GEAALO CC(C)c1[nH+]c2ccccc2n1CC(=O)N1CCC[C@@H](CS(C)(=O)=O)C1 ZINC000426381833 528329463 /nfs/dbraw/zinc/32/94/63/528329463.db2.gz XSBGSJYLJSXGNR-OAHLLOKOSA-N 1 2 377.510 2.443 50 0 GEAALO COc1ccc(CNC(=O)CCc2cc[nH+]c(N3CCOCC3)c2)cc1OC ZINC000065269784 536864882 /nfs/dbraw/zinc/86/48/82/536864882.db2.gz VAKFKGQEXBADQC-UHFFFAOYSA-N 1 2 385.464 2.184 50 0 GEAALO C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC000048128749 570218985 /nfs/dbraw/zinc/21/89/85/570218985.db2.gz MNEFEPUBWFISPQ-DZGCQCFKSA-N 1 2 394.397 2.455 50 0 GEAALO COc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2CC(=O)NC(=O)Nc2ccccc2)cc1 ZINC000048356082 570242231 /nfs/dbraw/zinc/24/22/31/570242231.db2.gz RCZUQNVFJKRMGY-SFHVURJKSA-N 1 2 396.447 2.446 50 0 GEAALO COc1ccc(NC(=O)[C@@H]2CCC[N@H+]2CC(=O)NC(=O)Nc2ccccc2)cc1 ZINC000048356082 570242232 /nfs/dbraw/zinc/24/22/32/570242232.db2.gz RCZUQNVFJKRMGY-SFHVURJKSA-N 1 2 396.447 2.446 50 0 GEAALO COc1ccc(NC(=O)[C@H]2CCC[N@@H+]2CC(=O)NC(=O)Nc2ccccc2)cc1 ZINC000048356083 570242301 /nfs/dbraw/zinc/24/23/01/570242301.db2.gz RCZUQNVFJKRMGY-GOSISDBHSA-N 1 2 396.447 2.446 50 0 GEAALO COc1ccc(NC(=O)[C@H]2CCC[N@H+]2CC(=O)NC(=O)Nc2ccccc2)cc1 ZINC000048356083 570242305 /nfs/dbraw/zinc/24/23/05/570242305.db2.gz RCZUQNVFJKRMGY-GOSISDBHSA-N 1 2 396.447 2.446 50 0 GEAALO O=C(NCCCn1cc[nH+]c1)[C@@H]1CCC(=O)N1Cc1ccc(OC(F)F)cc1 ZINC000223418788 570245247 /nfs/dbraw/zinc/24/52/47/570245247.db2.gz WSHSYYRTUDQWDW-INIZCTEOSA-N 1 2 392.406 2.182 50 0 GEAALO Cc1[nH+]c2ccccc2n1CC(=O)Nc1cccc(CN2C(=O)CNC2=O)c1 ZINC000048366963 570246347 /nfs/dbraw/zinc/24/63/47/570246347.db2.gz UYWRXVRQEOKRIR-UHFFFAOYSA-N 1 2 377.404 2.035 50 0 GEAALO O=C(NCCCN1CCCC1=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000053493583 570260571 /nfs/dbraw/zinc/26/05/71/570260571.db2.gz MLYFTMMYSJQDBZ-UHFFFAOYSA-N 1 2 378.904 2.180 50 0 GEAALO COc1ccc(CC(=O)N2CC[NH+](C[C@H](O)c3cccs3)CC2)cc1OC ZINC000049031334 570261181 /nfs/dbraw/zinc/26/11/81/570261181.db2.gz GNADSICDPNEDIC-INIZCTEOSA-N 1 2 390.505 2.186 50 0 GEAALO CC(C)(C)c1ccc(S(=O)(=O)N2CC[NH+](CCn3cccn3)CC2)cc1 ZINC000049982859 570272773 /nfs/dbraw/zinc/27/27/73/570272773.db2.gz RAJDTWPWTKNINT-UHFFFAOYSA-N 1 2 376.526 2.187 50 0 GEAALO O=C(CC1=CSC2=[NH+]CCCN12)N1CC[C@@]2(C1)CCCN(CC1CC1)C2=O ZINC000102074828 570286713 /nfs/dbraw/zinc/28/67/13/570286713.db2.gz OVYHRMMOVXVUPD-HXUWFJFHSA-N 1 2 388.537 2.278 50 0 GEAALO C[N@H+](CCOc1ccc(Cl)cc1)CN1C(=O)C(=O)N(C2CCCC2)C1=O ZINC000014115610 570291501 /nfs/dbraw/zinc/29/15/01/570291501.db2.gz YTQRTZFJGOQSJY-UHFFFAOYSA-N 1 2 379.844 2.342 50 0 GEAALO C[N@@H+](CCOc1ccc(Cl)cc1)CN1C(=O)C(=O)N(C2CCCC2)C1=O ZINC000014115610 570291503 /nfs/dbraw/zinc/29/15/03/570291503.db2.gz YTQRTZFJGOQSJY-UHFFFAOYSA-N 1 2 379.844 2.342 50 0 GEAALO C[C@@H](c1nc(C2CC2)no1)N1CC[NH+](CC(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000051591320 570293554 /nfs/dbraw/zinc/29/35/54/570293554.db2.gz MZFQBOILEHQWEP-XHSDSOJGSA-N 1 2 375.517 2.130 50 0 GEAALO Cc1cc(C)n(-c2ccc(N3CC[NH+]([C@@H](C(N)=O)c4ccccc4)CC3)nc2)n1 ZINC000072307798 570299786 /nfs/dbraw/zinc/29/97/86/570299786.db2.gz XHDDQCPHXLSGQQ-OAQYLSRUSA-N 1 2 390.491 2.233 50 0 GEAALO O=C(CC[C@@H]1Cc2ccccc2NC1=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000022321561 570313000 /nfs/dbraw/zinc/31/30/00/570313000.db2.gz GEEBGUQUXHIKKR-GOSISDBHSA-N 1 2 394.475 2.126 50 0 GEAALO COCCNC(=O)CSc1ccccc1C(=O)NCc1cn2ccccc2[nH+]1 ZINC000022699236 570324844 /nfs/dbraw/zinc/32/48/44/570324844.db2.gz VUBMWXSJFFMRDS-UHFFFAOYSA-N 1 2 398.488 2.119 50 0 GEAALO C[C@H](c1nc(C(C)(C)C)no1)N1CC[NH+](Cc2cc(=O)n3ccccc3n2)CC1 ZINC000022914902 570334768 /nfs/dbraw/zinc/33/47/68/570334768.db2.gz MTXBKEVIJWCZQZ-OAHLLOKOSA-N 1 2 396.495 2.254 50 0 GEAALO C[C@H](C(=O)N1CCCCC1)[NH+]1CCN(CC(=O)Nc2ccccc2Cl)CC1 ZINC000022915968 570335272 /nfs/dbraw/zinc/33/52/72/570335272.db2.gz GEPMXAALAVOLSL-MRXNPFEDSA-N 1 2 392.931 2.297 50 0 GEAALO Cc1cccc(NC(=O)CN2CC[NH+](CC(=O)N3CCCC[C@H]3C)CC2)c1C ZINC000022932378 570337234 /nfs/dbraw/zinc/33/72/34/570337234.db2.gz NESJMKMBMDLVFP-GOSISDBHSA-N 1 2 386.540 2.261 50 0 GEAALO COc1ccccc1N1CCN(C(=O)C[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000055565609 570351498 /nfs/dbraw/zinc/35/14/98/570351498.db2.gz UYGXPPNCARLJLB-UHFFFAOYSA-N 1 2 394.519 2.166 50 0 GEAALO C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@H+](C)CC(=O)Nc1ccc(F)cc1 ZINC000008121048 570358519 /nfs/dbraw/zinc/35/85/19/570358519.db2.gz SKUNCVXOXBAXOL-CYBMUJFWSA-N 1 2 378.448 2.243 50 0 GEAALO C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@@H+](C)CC(=O)Nc1ccc(F)cc1 ZINC000008121048 570358521 /nfs/dbraw/zinc/35/85/21/570358521.db2.gz SKUNCVXOXBAXOL-CYBMUJFWSA-N 1 2 378.448 2.243 50 0 GEAALO Cc1cnc(NC[C@H](c2cccnc2)[NH+]2CCOCC2)nc1-c1cnn(C)c1 ZINC000023543319 570365194 /nfs/dbraw/zinc/36/51/94/570365194.db2.gz FQHLLKDPZUONMV-GOSISDBHSA-N 1 2 379.468 2.066 50 0 GEAALO COCCN1CC[NH+](Cc2ccc(-c3nc(C(F)F)cc(=O)[nH]3)cc2)CC1 ZINC000023542977 570365244 /nfs/dbraw/zinc/36/52/44/570365244.db2.gz BVZOJTDZQNGGAN-UHFFFAOYSA-N 1 2 378.423 2.139 50 0 GEAALO COc1ccc(C)cc1S(=O)(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000023673336 570368712 /nfs/dbraw/zinc/36/87/12/570368712.db2.gz MOHRXJXKHZJMHO-UHFFFAOYSA-N 1 2 382.526 2.317 50 0 GEAALO C[C@@H](NC(=O)COc1ccccc1)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000023774285 570372308 /nfs/dbraw/zinc/37/23/08/570372308.db2.gz YWOMOPIGDCEIDE-OXQOHEQNSA-N 1 2 392.459 2.209 50 0 GEAALO C[C@]1(c2ccc3c(c2)OCO3)NC(=O)N(C[N@@H+]2CCc3ccccc3C2)C1=O ZINC000023763788 570372314 /nfs/dbraw/zinc/37/23/14/570372314.db2.gz PYKNAJJTXMAKIN-OAQYLSRUSA-N 1 2 379.416 2.198 50 0 GEAALO C[C@]1(c2ccc3c(c2)OCO3)NC(=O)N(C[N@H+]2CCc3ccccc3C2)C1=O ZINC000023763788 570372316 /nfs/dbraw/zinc/37/23/16/570372316.db2.gz PYKNAJJTXMAKIN-OAQYLSRUSA-N 1 2 379.416 2.198 50 0 GEAALO O=C(Cc1cn2ccsc2n1)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000023845727 570373652 /nfs/dbraw/zinc/37/36/52/570373652.db2.gz RNEVHPJHTXVGCI-UHFFFAOYSA-N 1 2 382.489 2.218 50 0 GEAALO CC(C)Cc1ccc([C@H](C)NC(=O)C[NH+]2CCC(NS(C)(=O)=O)CC2)cc1 ZINC000024760595 570391881 /nfs/dbraw/zinc/39/18/81/570391881.db2.gz WOTDWOINTVUGES-INIZCTEOSA-N 1 2 395.569 2.076 50 0 GEAALO O=C(NCc1ccccc1)C1CC[NH+](Cc2nnnn2-c2ccccc2)CC1 ZINC000024858569 570396510 /nfs/dbraw/zinc/39/65/10/570396510.db2.gz DOEOIVCWAAELAF-UHFFFAOYSA-N 1 2 376.464 2.191 50 0 GEAALO COc1ccc(C)cc1NC(=O)N1CCN(c2cc(-n3cc[nH+]c3)ncn2)CC1 ZINC000035598123 570400664 /nfs/dbraw/zinc/40/06/64/570400664.db2.gz QYIXMQNVHHJALH-UHFFFAOYSA-N 1 2 393.451 2.333 50 0 GEAALO O=C(c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)N1CC[NH+](CCO)CC1 ZINC000025637786 570417423 /nfs/dbraw/zinc/41/74/23/570417423.db2.gz DYYAKTVPYLPZBS-UHFFFAOYSA-N 1 2 394.450 2.429 50 0 GEAALO Cc1ccc(N2C[C@H](C(=O)NCCc3cn4ccccc4[nH+]3)CC2=O)cc1F ZINC000026362770 570425089 /nfs/dbraw/zinc/42/50/89/570425089.db2.gz JLXBGXRRTVQDTK-OAHLLOKOSA-N 1 2 380.423 2.494 50 0 GEAALO CCCc1c[nH+]c(C)nc1N1CCCn2nc([C@@H](O)c3ccnn3C)cc2C1 ZINC000222854909 570428925 /nfs/dbraw/zinc/42/89/25/570428925.db2.gz XHJBKOCBUUKRLX-LJQANCHMSA-N 1 2 381.484 2.160 50 0 GEAALO CC(C)C(=O)Nc1ccc(S(=O)(=O)NC[C@H](c2cccn2C)[NH+](C)C)cc1 ZINC000011897963 570444494 /nfs/dbraw/zinc/44/44/94/570444494.db2.gz ZDWGPICMNGSVPF-GOSISDBHSA-N 1 2 392.525 2.201 50 0 GEAALO O=C([C@H]1CC(=O)N(C2CCCCCC2)C1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000072277574 570463001 /nfs/dbraw/zinc/46/30/01/570463001.db2.gz KRAVHLJHWCWFKX-ICSRJNTNSA-N 1 2 391.556 2.271 50 0 GEAALO Cc1ccc(-c2nn(C[C@@H](O)C[NH+]3CCOCC3)c(=O)c3ccccc32)cc1 ZINC000029340338 570472334 /nfs/dbraw/zinc/47/23/34/570472334.db2.gz BUKKCEUEGNORAY-SFHVURJKSA-N 1 2 379.460 2.065 50 0 GEAALO Cc1cccc([C@H](CNC(=O)c2cnn(C)c2-n2cccc2)[NH+]2CCOCC2)c1 ZINC000029420960 570473291 /nfs/dbraw/zinc/47/32/91/570473291.db2.gz FRSFTMFXZDFNOS-FQEVSTJZSA-N 1 2 393.491 2.323 50 0 GEAALO O=C(NC1CC[NH+](Cn2c(=O)oc3cc(Br)ccc32)CC1)C1CC1 ZINC000029586916 570476227 /nfs/dbraw/zinc/47/62/27/570476227.db2.gz FIAFSGYIRGDZQY-UHFFFAOYSA-N 1 2 394.269 2.305 50 0 GEAALO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)[C@H]1CCCN(c2cnccn2)C1 ZINC000029764542 570479380 /nfs/dbraw/zinc/47/93/80/570479380.db2.gz DPRLSSQJGIKCFF-IBGZPJMESA-N 1 2 376.464 2.254 50 0 GEAALO COc1c2c(cc3c1[C@H](CC(=O)C[C@H](O)c1ccccn1)[N@H+](C)CC3)OCO2 ZINC000036023038 570512633 /nfs/dbraw/zinc/51/26/33/570512633.db2.gz HACHLYKWDDBZRS-IRXDYDNUSA-N 1 2 384.432 2.431 50 0 GEAALO COc1c2c(cc3c1[C@H](CC(=O)C[C@H](O)c1ccccn1)[N@@H+](C)CC3)OCO2 ZINC000036023038 570512635 /nfs/dbraw/zinc/51/26/35/570512635.db2.gz HACHLYKWDDBZRS-IRXDYDNUSA-N 1 2 384.432 2.431 50 0 GEAALO O=C(Cn1c[nH+]c2cc3c(cc21)OCCO3)NCc1ccc2c(c1)OCCCO2 ZINC000064814332 570552049 /nfs/dbraw/zinc/55/20/49/570552049.db2.gz JHBVAZBJSDOPMD-UHFFFAOYSA-N 1 2 395.415 2.285 50 0 GEAALO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)CC(=O)Nc1c(F)cccc1F ZINC000032542053 570554594 /nfs/dbraw/zinc/55/45/94/570554594.db2.gz HKBDYAROZBKCHB-LLVKDONJSA-N 1 2 383.420 2.244 50 0 GEAALO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)CC(=O)Nc1c(F)cccc1F ZINC000032542053 570554596 /nfs/dbraw/zinc/55/45/96/570554596.db2.gz HKBDYAROZBKCHB-LLVKDONJSA-N 1 2 383.420 2.244 50 0 GEAALO C[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccccc3F)cc2)CC1 ZINC000035982192 570559478 /nfs/dbraw/zinc/55/94/78/570559478.db2.gz OYKHYSALPVSNFF-UHFFFAOYSA-N 1 2 377.441 2.014 50 0 GEAALO CCOc1ccc(C(=O)N2CCN(c3cc(N4CCCC4)[nH+]cn3)CC2)cc1 ZINC000038528192 570579696 /nfs/dbraw/zinc/57/96/96/570579696.db2.gz KMVSRUBYFQMPDZ-UHFFFAOYSA-N 1 2 381.480 2.438 50 0 GEAALO CCOc1ccc(C(=O)N2CCN(c3cc(N4CCCC4)nc[nH+]3)CC2)cc1 ZINC000038528192 570579698 /nfs/dbraw/zinc/57/96/98/570579698.db2.gz KMVSRUBYFQMPDZ-UHFFFAOYSA-N 1 2 381.480 2.438 50 0 GEAALO CC(=O)N1CCN(c2[nH+]cccc2CNC(=O)C2(c3ccccc3)CC2)CC1 ZINC000011753390 570581118 /nfs/dbraw/zinc/58/11/18/570581118.db2.gz WTMJDGNCAFLKLO-UHFFFAOYSA-N 1 2 378.476 2.098 50 0 GEAALO COCCNC(=O)c1ccc(OC2CC[NH+](Cc3ncc[nH]3)CC2)c(Cl)c1 ZINC000012444635 570665559 /nfs/dbraw/zinc/66/55/59/570665559.db2.gz VFOYRPMABXCWFV-UHFFFAOYSA-N 1 2 392.887 2.483 50 0 GEAALO COCCNC(=O)c1ccc(OC2CCN(Cc3[nH]cc[nH+]3)CC2)c(Cl)c1 ZINC000012444635 570665563 /nfs/dbraw/zinc/66/55/63/570665563.db2.gz VFOYRPMABXCWFV-UHFFFAOYSA-N 1 2 392.887 2.483 50 0 GEAALO COc1ccc([C@@H](NC(=O)C[N@@H+]2CCc3ccccc3C2)[C@H]2C[C@@H](O)C2)cn1 ZINC000244608495 570694053 /nfs/dbraw/zinc/69/40/53/570694053.db2.gz FDSDYCHZIRONAM-XQBPLPMBSA-N 1 2 381.476 2.077 50 0 GEAALO COc1ccc([C@@H](NC(=O)C[N@H+]2CCc3ccccc3C2)[C@H]2C[C@@H](O)C2)cn1 ZINC000244608495 570694057 /nfs/dbraw/zinc/69/40/57/570694057.db2.gz FDSDYCHZIRONAM-XQBPLPMBSA-N 1 2 381.476 2.077 50 0 GEAALO CSCc1ccc(C(=O)N[C@H]2C[C@H](c3nnc(Cn4cc[nH+]c4)n3C)C2)o1 ZINC000244764135 570696360 /nfs/dbraw/zinc/69/63/60/570696360.db2.gz PBXWWNMYAWRGLI-JOCQHMNTSA-N 1 2 386.481 2.192 50 0 GEAALO COC(=O)c1ccc(NC(=O)C[NH+]2CCN(c3ccccc3OC)CC2)cc1 ZINC000055565643 570697096 /nfs/dbraw/zinc/69/70/96/570697096.db2.gz WIYJVFAINJEPTR-UHFFFAOYSA-N 1 2 383.448 2.243 50 0 GEAALO CC(=O)N1CCN(c2[nH+]cccc2CNC(=O)Cc2ccccc2Cl)CC1 ZINC000012702310 570698944 /nfs/dbraw/zinc/69/89/44/570698944.db2.gz YWBBYPYFEIOMQG-UHFFFAOYSA-N 1 2 386.883 2.262 50 0 GEAALO O=C(Cn1ccc(C(F)(F)F)n1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000032676145 570729194 /nfs/dbraw/zinc/72/91/94/570729194.db2.gz WXFQJMAHEIGTRI-UHFFFAOYSA-N 1 2 382.386 2.125 50 0 GEAALO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](C)Oc2ccc(Cl)cc2C)CC1 ZINC000060093206 570740376 /nfs/dbraw/zinc/74/03/76/570740376.db2.gz QHFDIZMVVKSRFI-HNNXBMFYSA-N 1 2 381.904 2.086 50 0 GEAALO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](C)Oc2ccc(Cl)cc2C)CC1 ZINC000060093206 570740377 /nfs/dbraw/zinc/74/03/77/570740377.db2.gz QHFDIZMVVKSRFI-HNNXBMFYSA-N 1 2 381.904 2.086 50 0 GEAALO COC(=O)c1cccc(C[NH+]2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)c1 ZINC000025285941 570746314 /nfs/dbraw/zinc/74/63/14/570746314.db2.gz OYASFMBRLDKCJE-UHFFFAOYSA-N 1 2 398.459 2.448 50 0 GEAALO O=C(C[NH+]1CCN(c2cccc(Cl)c2)CC1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000052634775 570755613 /nfs/dbraw/zinc/75/56/13/570755613.db2.gz SRSUSELCNKHTIH-UHFFFAOYSA-N 1 2 385.855 2.270 50 0 GEAALO COC(=O)c1cc2n(n1)CCN(C(=O)Cn1c3ccccc3[nH+]c1C(C)C)C2 ZINC000065491935 570770551 /nfs/dbraw/zinc/77/05/51/570770551.db2.gz YTUZTZRVSQTTTQ-UHFFFAOYSA-N 1 2 381.436 2.185 50 0 GEAALO Cc1ccccc1N1CCN(c2[nH+]cccc2CNC(=O)[C@H](O)C(C)C)CC1 ZINC000067561143 570781620 /nfs/dbraw/zinc/78/16/20/570781620.db2.gz WYWVPJKZWOVSGX-HXUWFJFHSA-N 1 2 382.508 2.350 50 0 GEAALO COc1ccc(NC(=O)Cn2ncc3c2nc[nH+]c3N2CCCC2)c(OC)c1 ZINC000065294944 570787013 /nfs/dbraw/zinc/78/70/13/570787013.db2.gz BOQIPUPQARGUMZ-UHFFFAOYSA-N 1 2 382.424 2.082 50 0 GEAALO Cc1cc(C)n(-c2cc(NCCNC(=O)[C@H](C)Oc3ccccc3)[nH+]cn2)n1 ZINC000036705478 570792925 /nfs/dbraw/zinc/79/29/25/570792925.db2.gz AEJRAOKTOJEDNR-INIZCTEOSA-N 1 2 380.452 2.275 50 0 GEAALO CCOC(=O)c1cnn(-c2ccc(C(=O)N[C@@H](C)Cn3cc[nH+]c3)cc2)c1C ZINC000052749926 570793898 /nfs/dbraw/zinc/79/38/98/570793898.db2.gz LTRPTZZMNCMNHI-AWEZNQCLSA-N 1 2 381.436 2.372 50 0 GEAALO O=C(CCc1nnc(-c2cccc(Cl)c2)[nH]c1=O)NCC[NH+]1CCCCC1 ZINC000034767914 570797132 /nfs/dbraw/zinc/79/71/32/570797132.db2.gz VWBOAMMEUXTHQN-UHFFFAOYSA-N 1 2 389.887 2.432 50 0 GEAALO CCCN(C(=O)C[NH+]1CCN(CC(=O)N[C@@H](C)CC)CC1)C1=CCCCC1 ZINC000032770159 570803956 /nfs/dbraw/zinc/80/39/56/570803956.db2.gz SDHPWCSYOWESQG-SFHVURJKSA-N 1 2 378.561 2.215 50 0 GEAALO COc1cc2c(cc1OC)C[N@H+](CC(=O)Nc1ccc3c(c1)OCCO3)CC2 ZINC000005951126 570808203 /nfs/dbraw/zinc/80/82/03/570808203.db2.gz NGBLQDKEJLNPSX-UHFFFAOYSA-N 1 2 384.432 2.472 50 0 GEAALO COc1cc2c(cc1OC)C[N@@H+](CC(=O)Nc1ccc3c(c1)OCCO3)CC2 ZINC000005951126 570808204 /nfs/dbraw/zinc/80/82/04/570808204.db2.gz NGBLQDKEJLNPSX-UHFFFAOYSA-N 1 2 384.432 2.472 50 0 GEAALO C[C@@H]1CN(S(=O)(=O)N[C@@H](c2[nH+]ccn2C)c2ccc(Cl)cc2)C[C@@H](C)O1 ZINC000012507209 570822670 /nfs/dbraw/zinc/82/26/70/570822670.db2.gz KKKPDZSCNVDXCQ-XJKCOSOUSA-N 1 2 398.916 2.107 50 0 GEAALO Cc1cc2[nH+]cn(C[C@H](O)CN3C(=O)N[C@@](C)(c4ccccc4)C3=O)c2cc1C ZINC000051127367 570834898 /nfs/dbraw/zinc/83/48/98/570834898.db2.gz ZCFSHFRHTLRPLK-JTSKRJEESA-N 1 2 392.459 2.481 50 0 GEAALO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(C(=O)OC(C)C)cc2)C1 ZINC000007436819 570843427 /nfs/dbraw/zinc/84/34/27/570843427.db2.gz VWSXKXLWWRFMIJ-MRXNPFEDSA-N 1 2 376.453 2.465 50 0 GEAALO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(C(=O)OC(C)C)cc2)C1 ZINC000007436819 570843429 /nfs/dbraw/zinc/84/34/29/570843429.db2.gz VWSXKXLWWRFMIJ-MRXNPFEDSA-N 1 2 376.453 2.465 50 0 GEAALO O=C(N[C@H](C[NH+]1CCOCC1)c1ccccc1)c1ccc2c(c1)CCC(=O)N2 ZINC000032842960 570851079 /nfs/dbraw/zinc/85/10/79/570851079.db2.gz WPVDWMLTVZJDNX-HXUWFJFHSA-N 1 2 379.460 2.375 50 0 GEAALO CC[C@@H](C(=O)NCc1ccccc1)N1CCC[N@H+](CC(=O)NC(C)(C)C)CC1 ZINC000032851041 570854177 /nfs/dbraw/zinc/85/41/77/570854177.db2.gz BGLNMMISDWFVSZ-IBGZPJMESA-N 1 2 388.556 2.004 50 0 GEAALO CC[C@@H](C(=O)NCc1ccccc1)N1CCC[N@@H+](CC(=O)NC(C)(C)C)CC1 ZINC000032851041 570854180 /nfs/dbraw/zinc/85/41/80/570854180.db2.gz BGLNMMISDWFVSZ-IBGZPJMESA-N 1 2 388.556 2.004 50 0 GEAALO O=C(Cn1c2ccccc2[nH+]c1NCCO)Nc1ccc(N2CCCC2=O)cc1 ZINC000012551751 570854933 /nfs/dbraw/zinc/85/49/33/570854933.db2.gz KTGPRXAZAHUHRQ-UHFFFAOYSA-N 1 2 393.447 2.206 50 0 GEAALO COc1ccc(C[NH+]2CCC(N3CCS(=O)(=O)CC3)CC2)c(OC(C)C)c1 ZINC000170606918 570863874 /nfs/dbraw/zinc/86/38/74/570863874.db2.gz LWDPNKNMZUHISR-UHFFFAOYSA-N 1 2 396.553 2.177 50 0 GEAALO COC(=O)N1CC[NH+](CCNC(=O)NC(c2ccccc2)c2ccccc2)CC1 ZINC000044227530 570872570 /nfs/dbraw/zinc/87/25/70/570872570.db2.gz NFGAGQLEGBMIHL-UHFFFAOYSA-N 1 2 396.491 2.459 50 0 GEAALO COc1ccc(CCCN2C(=O)O[C@@H]3CN(c4cc(N(C)C)nc[nH+]4)C[C@@H]32)cc1 ZINC000015071736 570877474 /nfs/dbraw/zinc/87/74/74/570877474.db2.gz NASXCAWLZHJYMM-ZWKOTPCHSA-N 1 2 397.479 2.193 50 0 GEAALO Cn1c2ccccc2[nH+]c1N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 ZINC000042381483 570890723 /nfs/dbraw/zinc/89/07/23/570890723.db2.gz HSCXNGRIGSRDKQ-UHFFFAOYSA-N 1 2 392.431 2.362 50 0 GEAALO O=C(c1cc2ccccc2[nH]c1=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000012615995 570890870 /nfs/dbraw/zinc/89/08/70/570890870.db2.gz IKSBFJRLFRZIMO-UHFFFAOYSA-N 1 2 377.444 2.365 50 0 GEAALO O=C(NCc1cn2ccccc2[nH+]1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000012618974 570891386 /nfs/dbraw/zinc/89/13/86/570891386.db2.gz QVBFOLNHLIHJNG-UHFFFAOYSA-N 1 2 398.488 2.439 50 0 GEAALO COc1ccc(-c2c(C(=O)NCC[NH+]3CCOCC3)nc3ccccn32)cc1 ZINC000097939304 570898436 /nfs/dbraw/zinc/89/84/36/570898436.db2.gz VBYBAUVPYSZPRG-UHFFFAOYSA-N 1 2 380.448 2.072 50 0 GEAALO CCN(C(=O)c1ccc(-c2[nH+]cnc3[nH]ccc32)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000534662777 570922613 /nfs/dbraw/zinc/92/26/13/570922613.db2.gz WJLLXGYPOOUEON-OAHLLOKOSA-N 1 2 384.461 2.274 50 0 GEAALO COc1ccc([C@H](NC(=O)C(=O)c2cnn(C(C)(C)C)c2)c2[nH+]ccn2C)cc1 ZINC000032936144 570948553 /nfs/dbraw/zinc/94/85/53/570948553.db2.gz CEQIBRLJQVNWLD-KRWDZBQOSA-N 1 2 395.463 2.469 50 0 GEAALO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)Nc1cccc(Cl)c1F ZINC000047362301 570954243 /nfs/dbraw/zinc/95/42/43/570954243.db2.gz GZMBYPMXIPRZEP-UHFFFAOYSA-N 1 2 378.839 2.213 50 0 GEAALO CO[C@H]1CCN(c2ccc(C(=O)N3CC[NH+](Cc4cccnc4)CC3)cc2)C1 ZINC000252484170 570968521 /nfs/dbraw/zinc/96/85/21/570968521.db2.gz FQIIPZLBMXBTPG-NRFANRHFSA-N 1 2 380.492 2.265 50 0 GEAALO O=C(C[NH+]1CCN(C(=O)c2cc(C3CC3)nc3ccccc32)CC1)N1CCCC1 ZINC000045457181 570991357 /nfs/dbraw/zinc/99/13/57/570991357.db2.gz QPBVLGSIFJBPAG-UHFFFAOYSA-N 1 2 392.503 2.492 50 0 GEAALO Cc1ccc(C(=O)N/C(=C/c2ccco2)C(=O)NCC[NH+]2CCOCC2)cc1C ZINC000033349134 570991768 /nfs/dbraw/zinc/99/17/68/570991768.db2.gz AJFDUWMVDSHQMZ-HMMYKYKNSA-N 1 2 397.475 2.116 50 0 GEAALO CCO[C@H](C)c1noc(CN2CCC[N@@H+]([C@H](C)c3nc(CC)no3)CC2)n1 ZINC000072759791 571049497 /nfs/dbraw/zinc/04/94/97/571049497.db2.gz IXFDWYCMTFTOTC-ZIAGYGMSSA-N 1 2 378.477 2.381 50 0 GEAALO CCO[C@H](C)c1noc(CN2CCC[N@H+]([C@H](C)c3nc(CC)no3)CC2)n1 ZINC000072759791 571049502 /nfs/dbraw/zinc/04/95/02/571049502.db2.gz IXFDWYCMTFTOTC-ZIAGYGMSSA-N 1 2 378.477 2.381 50 0 GEAALO C[C@@H]1CN(C[C@@H](C[NH+]2C[C@H](C)O[C@@H](C)C2)NC(=O)OC(C)(C)C)C[C@H](C)O1 ZINC000241435142 231038368 /nfs/dbraw/zinc/03/83/68/231038368.db2.gz NKZJNMBPSKWRBZ-NNPSNHGLSA-N 1 2 385.549 2.098 50 0 GEAALO C[C@@H]1C[N@H+](C[C@@H](CN2C[C@H](C)O[C@@H](C)C2)NC(=O)OC(C)(C)C)C[C@H](C)O1 ZINC000241435142 231038370 /nfs/dbraw/zinc/03/83/70/231038370.db2.gz NKZJNMBPSKWRBZ-NNPSNHGLSA-N 1 2 385.549 2.098 50 0 GEAALO C[C@@H]1C[N@@H+](C[C@@H](CN2C[C@H](C)O[C@@H](C)C2)NC(=O)OC(C)(C)C)C[C@H](C)O1 ZINC000241435142 231038374 /nfs/dbraw/zinc/03/83/74/231038374.db2.gz NKZJNMBPSKWRBZ-NNPSNHGLSA-N 1 2 385.549 2.098 50 0 GEAALO O=C(Cn1nc(-c2ccccc2)c2ccccc2c1=O)NCCCn1cc[nH+]c1 ZINC000426404160 231215558 /nfs/dbraw/zinc/21/55/58/231215558.db2.gz GEKJAPBXAXOYMR-UHFFFAOYSA-N 1 2 387.443 2.467 50 0 GEAALO CCc1cc(-c2ccc(C(=O)NCCc3[nH+]ccn3C)cc2)nc(N(C)C)n1 ZINC000426522858 529502942 /nfs/dbraw/zinc/50/29/42/529502942.db2.gz JBYRGXFRQXJQGZ-UHFFFAOYSA-N 1 2 378.480 2.478 50 0 GEAALO CC(=O)Nc1ccc(S(=O)(=O)N2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000019237232 210236000 /nfs/dbraw/zinc/23/60/00/210236000.db2.gz BIZKTJNXJMHLLM-UHFFFAOYSA-N 1 2 387.505 2.460 50 0 GEAALO CCc1nn(C)c(Cl)c1C[N@@H+]1CCn2nc(CNc3ncccn3)cc2C1 ZINC000426594860 529767509 /nfs/dbraw/zinc/76/75/09/529767509.db2.gz MMJCWESPQPKZCK-UHFFFAOYSA-N 1 2 386.891 2.250 50 0 GEAALO CCc1nn(C)c(Cl)c1C[N@H+]1CCn2nc(CNc3ncccn3)cc2C1 ZINC000426594860 529767510 /nfs/dbraw/zinc/76/75/10/529767510.db2.gz MMJCWESPQPKZCK-UHFFFAOYSA-N 1 2 386.891 2.250 50 0 GEAALO CNc1ccnc(-c2ccc(C(=O)N3CCC[C@H](Cn4cc[nH+]c4)C3)cc2)n1 ZINC000426386308 529834610 /nfs/dbraw/zinc/83/46/10/529834610.db2.gz LFTFNZOHGZUWLF-MRXNPFEDSA-N 1 2 376.464 2.356 50 0 GEAALO COc1ccccc1CCNC(=O)C[C@H]1C(=O)NCC[N@H+]1Cc1ccccc1C ZINC000015066383 210148722 /nfs/dbraw/zinc/14/87/22/210148722.db2.gz JEPTYZUCSVFMOT-FQEVSTJZSA-N 1 2 395.503 2.053 50 0 GEAALO COc1ccccc1CCNC(=O)C[C@H]1C(=O)NCC[N@@H+]1Cc1ccccc1C ZINC000015066383 210148726 /nfs/dbraw/zinc/14/87/26/210148726.db2.gz JEPTYZUCSVFMOT-FQEVSTJZSA-N 1 2 395.503 2.053 50 0 GEAALO CC[C@H](NC(=O)CCCn1nnnc1C[NH+]1CCC(C)CC1)c1ccncc1 ZINC000015067303 210148758 /nfs/dbraw/zinc/14/87/58/210148758.db2.gz ZAESZFSSJRUDCX-SFHVURJKSA-N 1 2 385.516 2.348 50 0 GEAALO CN(Cc1nc2cc(Cl)ccc2[nH]1)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000426578868 530022980 /nfs/dbraw/zinc/02/29/80/530022980.db2.gz TUTYDRYAJVWPBY-UHFFFAOYSA-N 1 2 379.892 2.469 50 0 GEAALO CN(Cc1nc2ccc(Cl)cc2[nH]1)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000426578868 530022981 /nfs/dbraw/zinc/02/29/81/530022981.db2.gz TUTYDRYAJVWPBY-UHFFFAOYSA-N 1 2 379.892 2.469 50 0 GEAALO C[NH+]1CCN(S(=O)(=O)c2cccc(C(=O)Nc3ccc(F)cc3F)c2)CC1 ZINC000015004515 210144134 /nfs/dbraw/zinc/14/41/34/210144134.db2.gz GPJGTONUODYIBF-UHFFFAOYSA-N 1 2 395.431 2.153 50 0 GEAALO COCCN(Cc1cc2ccc(OC)cc2[nH+]c1N(C)C)C(=O)[C@@H]1CCCO1 ZINC000014965910 210135820 /nfs/dbraw/zinc/13/58/20/210135820.db2.gz AGUVGXLNHBYZQV-IBGZPJMESA-N 1 2 387.480 2.463 50 0 GEAALO C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[NH+]1CCN(c2ccccc2F)CC1 ZINC000014914977 210130872 /nfs/dbraw/zinc/13/08/72/210130872.db2.gz VBHWPYOLRKBICX-ZDUSSCGKSA-N 1 2 383.427 2.145 50 0 GEAALO C[C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCC(NS(=O)(=O)c2ccccc2)CC1 ZINC000014086144 210102504 /nfs/dbraw/zinc/10/25/04/210102504.db2.gz DETFNWWBHRTHKP-VQIMIIECSA-N 1 2 393.553 2.124 50 0 GEAALO COc1ccc(-c2nc3ncc4c(ccn(CCc5c[nH+]c[nH]5)c4=O)n3n2)cc1 ZINC000013693228 210081880 /nfs/dbraw/zinc/08/18/80/210081880.db2.gz HWCPDLZFHWUWCL-UHFFFAOYSA-N 1 2 387.403 2.081 50 0 GEAALO COc1ccc(-c2nc3ncc4c(ccn(CCc5c[nH]c[nH+]5)c4=O)n3n2)cc1 ZINC000013693228 210081885 /nfs/dbraw/zinc/08/18/85/210081885.db2.gz HWCPDLZFHWUWCL-UHFFFAOYSA-N 1 2 387.403 2.081 50 0 GEAALO O=S(=O)(c1ccccc1)[C@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1ccccc1Cl ZINC000013371259 210061118 /nfs/dbraw/zinc/06/11/18/210061118.db2.gz OWPSSGCACFSKCS-IRXDYDNUSA-N 1 2 399.921 2.069 50 0 GEAALO CS(=O)(=O)N1CC[NH+](CCC(=O)Nc2ccccc2-c2ccccc2)CC1 ZINC000012778717 210007960 /nfs/dbraw/zinc/00/79/60/210007960.db2.gz NTRDJSSQUGSWLF-UHFFFAOYSA-N 1 2 387.505 2.259 50 0 GEAALO CC(C)[C@H](CNS(=O)(=O)c1ccc(C(F)(F)F)cc1)[NH+]1CCOCC1 ZINC000012753092 210000267 /nfs/dbraw/zinc/00/02/67/210000267.db2.gz AQWGFOXBJYFRAQ-HNNXBMFYSA-N 1 2 380.432 2.341 50 0 GEAALO C[C@@H]1CN(S(=O)(=O)N[C@H](c2[nH+]ccn2C)c2ccc(Cl)cc2)C[C@H](C)O1 ZINC000012507208 209964234 /nfs/dbraw/zinc/96/42/34/209964234.db2.gz KKKPDZSCNVDXCQ-ZENOOKHLSA-N 1 2 398.916 2.107 50 0 GEAALO CC[NH+]1CCN(c2nc(-n3nc(C)cc3C)nc(C)c2Br)CC1 ZINC000009418625 531550779 /nfs/dbraw/zinc/55/07/79/531550779.db2.gz XTDVHHSYNMNRBX-UHFFFAOYSA-N 1 2 379.306 2.492 50 0 GEAALO C[NH+]1CCN(S(=O)(=O)c2ccc(SCCc3ccccc3)nc2)CC1 ZINC000012557511 531553779 /nfs/dbraw/zinc/55/37/79/531553779.db2.gz YNOQWKXTGYBGFF-UHFFFAOYSA-N 1 2 377.535 2.353 50 0 GEAALO Cc1noc(C)c1S(=O)(=O)Nc1cc(Cl)ccc1N1CC[NH+](C)CC1 ZINC000023817401 531601106 /nfs/dbraw/zinc/60/11/06/531601106.db2.gz PZIKZLQTLGWKJC-UHFFFAOYSA-N 1 2 384.889 2.497 50 0 GEAALO C[C@@H]1C[NH+](CCCNS(=O)(=O)c2ccc(C(F)(F)F)cc2)C[C@@H](C)O1 ZINC000048279886 531727866 /nfs/dbraw/zinc/72/78/66/531727866.db2.gz WIHTUSLHABWTAD-CHWSQXEVSA-N 1 2 380.432 2.483 50 0 GEAALO CC1=C(C(N)=O)[C@@H](c2ccc(Br)cc2)N2NC(C(C)C)=[NH+]C2=N1 ZINC000390834813 532707509 /nfs/dbraw/zinc/70/75/09/532707509.db2.gz CNWQSMFTXHMHSM-CYBMUJFWSA-N 1 2 376.258 2.494 50 0 GEAALO Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3CC[NH+](C)CC3)ccc2C)cc1 ZINC000002879930 209393446 /nfs/dbraw/zinc/39/34/46/209393446.db2.gz JWPYVERKKBXXDY-UHFFFAOYSA-N 1 2 387.505 2.492 50 0 GEAALO Cc1noc(C)c1C[NH+]1CCN(C(=O)CC2(n3cccc3)CCOCC2)CC1 ZINC000263587280 209224471 /nfs/dbraw/zinc/22/44/71/209224471.db2.gz FEKOBKYJWUHOCQ-UHFFFAOYSA-N 1 2 386.496 2.333 50 0 GEAALO CC(C)S(=O)(=O)c1ccc(CC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000239612034 209214846 /nfs/dbraw/zinc/21/48/46/209214846.db2.gz FHYUMLIKHQELMA-GOSISDBHSA-N 1 2 388.489 2.486 50 0 GEAALO CC(C)(C)c1ccc(C[N@@H+]2CCn3nc(CNS(C)(=O)=O)cc3C2)cc1 ZINC000299784257 212036915 /nfs/dbraw/zinc/03/69/15/212036915.db2.gz XAVHYRGLAYFDQF-UHFFFAOYSA-N 1 2 376.526 2.246 50 0 GEAALO CC(C)(C)c1ccc(C[N@H+]2CCn3nc(CNS(C)(=O)=O)cc3C2)cc1 ZINC000299784257 212036917 /nfs/dbraw/zinc/03/69/17/212036917.db2.gz XAVHYRGLAYFDQF-UHFFFAOYSA-N 1 2 376.526 2.246 50 0 GEAALO COC(=O)[C@@H]1C[C@H](NC(=O)c2cccc(OC)c2)C[N@@H+]1C1Cc2ccccc2C1 ZINC000299766467 212032652 /nfs/dbraw/zinc/03/26/52/212032652.db2.gz DGMCDMUANURLPD-RXVVDRJESA-N 1 2 394.471 2.208 50 0 GEAALO COC(=O)[C@@H]1C[C@H](NC(=O)c2cccc(OC)c2)C[N@H+]1C1Cc2ccccc2C1 ZINC000299766467 212032658 /nfs/dbraw/zinc/03/26/58/212032658.db2.gz DGMCDMUANURLPD-RXVVDRJESA-N 1 2 394.471 2.208 50 0 GEAALO COc1ccc(CC(=O)NC[C@H](c2cccs2)[NH+]2CCOCC2)cc1OC ZINC000023105698 211785228 /nfs/dbraw/zinc/78/52/28/211785228.db2.gz HCWLZIITLGCFSP-MRXNPFEDSA-N 1 2 390.505 2.498 50 0 GEAALO CCCN(Cc1[nH+]ccn1C)C(=O)Nc1cc2c(cc1OC)n(C)c(=O)n2C ZINC000096162992 211314884 /nfs/dbraw/zinc/31/48/84/211314884.db2.gz YWGICSYURPPNJG-UHFFFAOYSA-N 1 2 386.456 2.063 50 0 GEAALO CCn1c(C[NH+]2CCCC2)nnc1C1CCN(C(=O)c2ccnc(OC)c2)CC1 ZINC000096148386 211309545 /nfs/dbraw/zinc/30/95/45/211309545.db2.gz AMEBKXHLTCDESI-UHFFFAOYSA-N 1 2 398.511 2.317 50 0 GEAALO C[C@@H](c1nnc(-c2cccs2)o1)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000095956277 211285785 /nfs/dbraw/zinc/28/57/85/211285785.db2.gz PDZWOLIOYDHVFF-AWEZNQCLSA-N 1 2 375.498 2.099 50 0 GEAALO O=C(Cn1cnc2ccccc2c1=O)N1CCC[C@@H](c2[nH+]ccn2CC2CC2)C1 ZINC000095518465 211263945 /nfs/dbraw/zinc/26/39/45/211263945.db2.gz HSFULISZVLQRPW-QGZVFWFLSA-N 1 2 391.475 2.409 50 0 GEAALO O=C(Cc1cccc(F)c1)N1CCC2(CC1)c1[nH+]c[nH]c1CCN2C(=O)C1CC1 ZINC000095529426 211274972 /nfs/dbraw/zinc/27/49/72/211274972.db2.gz RWSWFYBVAXXZDZ-UHFFFAOYSA-N 1 2 396.466 2.404 50 0 GEAALO CC(C)CCN1C[C@]2(CCCN(C(=O)C(C)(C)[NH+]3CCOCC3)C2)CCC1=O ZINC000095524344 211270256 /nfs/dbraw/zinc/27/02/56/211270256.db2.gz FRYIJTOBCXLHLK-QFIPXVFZSA-N 1 2 393.572 2.375 50 0 GEAALO CCn1cc[nH+]c1C1CCN(C(=O)CCc2c(C)nc3ncnn3c2C)CC1 ZINC000095517749 211265553 /nfs/dbraw/zinc/26/55/53/211265553.db2.gz KGRQXYBAOMCVRO-UHFFFAOYSA-N 1 2 381.484 2.296 50 0 GEAALO COc1ccc(C(=O)N2CCC[C@@H](c3[nH+]ccn3CC(N)=O)C2)cc1Cl ZINC000095519171 211264999 /nfs/dbraw/zinc/26/49/99/211264999.db2.gz YMGHMKXEKBMBAQ-CYBMUJFWSA-N 1 2 376.844 2.050 50 0 GEAALO Cc1oc2c(c1C(=O)N1CCC3(CC1)c1[nH]cnc1CC[N@H+]3C)C(=O)CCC2 ZINC000095516775 211264768 /nfs/dbraw/zinc/26/47/68/211264768.db2.gz VDSJFPTUIZMHSL-UHFFFAOYSA-N 1 2 382.464 2.450 50 0 GEAALO Cc1oc2c(c1C(=O)N1CCC3(CC1)c1[nH]cnc1CC[N@@H+]3C)C(=O)CCC2 ZINC000095516775 211264774 /nfs/dbraw/zinc/26/47/74/211264774.db2.gz VDSJFPTUIZMHSL-UHFFFAOYSA-N 1 2 382.464 2.450 50 0 GEAALO Cn1cc(CCC(=O)N2CCC(c3[nH+]ccn3Cc3cscn3)CC2)cn1 ZINC000095511963 211262458 /nfs/dbraw/zinc/26/24/58/211262458.db2.gz XYVWZEIDWCGNLN-UHFFFAOYSA-N 1 2 384.509 2.460 50 0 GEAALO CC(C)C[N@@H+]1CCN(Cc2cc3cc(F)ccc3n2C)[C@H]2CS(=O)(=O)C[C@H]21 ZINC000095510921 211261895 /nfs/dbraw/zinc/26/18/95/211261895.db2.gz HPNGBEQCQYQJES-UXHICEINSA-N 1 2 393.528 2.257 50 0 GEAALO CC(C)C[N@H+]1CCN(Cc2cc3cc(F)ccc3n2C)[C@H]2CS(=O)(=O)C[C@H]21 ZINC000095510921 211261900 /nfs/dbraw/zinc/26/19/00/211261900.db2.gz HPNGBEQCQYQJES-UXHICEINSA-N 1 2 393.528 2.257 50 0 GEAALO COCC(=O)N1CCc2[nH]c[nH+]c2C12CCN(C(=O)[C@H](C)c1ccccc1)CC2 ZINC000095503459 211256012 /nfs/dbraw/zinc/25/60/12/211256012.db2.gz RACFSIYZXWBVAO-MRXNPFEDSA-N 1 2 396.491 2.062 50 0 GEAALO Cc1c2cc(C)ccc2[nH]c1C(=O)N1CCC[C@H](c2[nH+]ccn2CC(N)=O)C1 ZINC000095500745 211253772 /nfs/dbraw/zinc/25/37/72/211253772.db2.gz ZQPOWBCVYTULFR-HNNXBMFYSA-N 1 2 379.464 2.486 50 0 GEAALO Cn1c(Cn2cc[nH+]c2)nnc1[C@@H]1CCCN(C(=O)CCc2cccs2)C1 ZINC000095391827 211237505 /nfs/dbraw/zinc/23/75/05/211237505.db2.gz SKJOMTYNZTUDPQ-OAHLLOKOSA-N 1 2 384.509 2.460 50 0 GEAALO Cn1c(Cn2cc[nH+]c2)nnc1[C@@H]1CCCN(C(=O)c2cncc(Cl)c2)C1 ZINC000095386361 211234207 /nfs/dbraw/zinc/23/42/07/211234207.db2.gz LJHCVUHOICEBKX-CYBMUJFWSA-N 1 2 385.859 2.128 50 0 GEAALO CCCCc1ncc(C[N@H+]2CC[C@@]3(O)CCN(C(=O)N4CCCC4)C[C@H]3C2)[nH]1 ZINC000095380102 211233205 /nfs/dbraw/zinc/23/32/05/211233205.db2.gz OYBFPIILXOPTSH-DYESRHJHSA-N 1 2 389.544 2.227 50 0 GEAALO CCCCc1nc(C[N@@H+]2CC[C@@]3(O)CCN(C(=O)N4CCCC4)C[C@H]3C2)c[nH]1 ZINC000095380102 211233196 /nfs/dbraw/zinc/23/31/96/211233196.db2.gz OYBFPIILXOPTSH-DYESRHJHSA-N 1 2 389.544 2.227 50 0 GEAALO CCCCc1nc(C[N@H+]2CC[C@@]3(O)CCN(C(=O)N4CCCC4)C[C@H]3C2)c[nH]1 ZINC000095380102 211233199 /nfs/dbraw/zinc/23/31/99/211233199.db2.gz OYBFPIILXOPTSH-DYESRHJHSA-N 1 2 389.544 2.227 50 0 GEAALO CCCCc1ncc(C[N@@H+]2CC[C@@]3(O)CCN(C(=O)N4CCCC4)C[C@H]3C2)[nH]1 ZINC000095380102 211233202 /nfs/dbraw/zinc/23/32/02/211233202.db2.gz OYBFPIILXOPTSH-DYESRHJHSA-N 1 2 389.544 2.227 50 0 GEAALO O=C(c1ccc2[nH]nnc2c1)N1C[C@@H](c2cccc(O)c2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095377972 211232562 /nfs/dbraw/zinc/23/25/62/211232562.db2.gz GZUCTLFQJVAUOG-IOMROCGXSA-N 1 2 389.459 2.366 50 0 GEAALO Cn1c(Cn2cc[nH+]c2)nnc1[C@H]1CCC[N@H+](Cc2ccccc2C(=O)[O-])C1 ZINC000095376673 211230279 /nfs/dbraw/zinc/23/02/79/211230279.db2.gz MIWCVDGOZZFZOB-INIZCTEOSA-N 1 2 380.452 2.138 50 0 GEAALO Cn1c(Cn2cc[nH+]c2)nnc1[C@H]1CCC[N@@H+](Cc2ccccc2C(=O)[O-])C1 ZINC000095376673 211230284 /nfs/dbraw/zinc/23/02/84/211230284.db2.gz MIWCVDGOZZFZOB-INIZCTEOSA-N 1 2 380.452 2.138 50 0 GEAALO C[C@@H](C(=O)N1CCC2(CCC(=O)N(CCc3ccccn3)C2)CC1)n1cc[nH+]c1 ZINC000095371100 211226962 /nfs/dbraw/zinc/22/69/62/211226962.db2.gz OFELAAPNGXQDDN-SFHVURJKSA-N 1 2 395.507 2.313 50 0 GEAALO O=C(Cc1ccccc1)N1CCC[C@@]2(CCC(=O)N(CCc3c[nH+]c[nH]3)C2)C1 ZINC000091997643 211212684 /nfs/dbraw/zinc/21/26/84/211212684.db2.gz BOANFAFZCVIDCT-JOCHJYFZSA-N 1 2 380.492 2.426 50 0 GEAALO O=C(Cc1ccccc1)N1CCC[C@@]2(CCC(=O)N(CCc3c[nH]c[nH+]3)C2)C1 ZINC000091997643 211212685 /nfs/dbraw/zinc/21/26/85/211212685.db2.gz BOANFAFZCVIDCT-JOCHJYFZSA-N 1 2 380.492 2.426 50 0 GEAALO CCCCOCC(=O)N1CCC2(CCC(=O)N(CCc3c[nH+]c[nH]3)C2)CC1 ZINC000091745870 211206027 /nfs/dbraw/zinc/20/60/27/211206027.db2.gz CVXXXOHYNGVBFI-UHFFFAOYSA-N 1 2 376.501 2.000 50 0 GEAALO CCCCOCC(=O)N1CCC2(CCC(=O)N(CCc3c[nH]c[nH+]3)C2)CC1 ZINC000091745870 211206031 /nfs/dbraw/zinc/20/60/31/211206031.db2.gz CVXXXOHYNGVBFI-UHFFFAOYSA-N 1 2 376.501 2.000 50 0 GEAALO O=C([O-])CC[C@@H]1C[N@H+](CCOc2ccc(F)cc2)CC[C@@H]1[NH+]1CCOCC1 ZINC000091519421 211194214 /nfs/dbraw/zinc/19/42/14/211194214.db2.gz LQMXFGYKVLBNCU-APWZRJJASA-N 1 2 380.460 2.092 50 0 GEAALO O=C([O-])CC[C@@H]1C[N@@H+](CCOc2ccc(F)cc2)CC[C@@H]1[NH+]1CCOCC1 ZINC000091519421 211194216 /nfs/dbraw/zinc/19/42/16/211194216.db2.gz LQMXFGYKVLBNCU-APWZRJJASA-N 1 2 380.460 2.092 50 0 GEAALO COc1ccc2cc(C(=O)NC3CC[NH+]([C@@H]4CCOC4=O)CC3)c(C)nc2c1 ZINC000089536686 211181916 /nfs/dbraw/zinc/18/19/16/211181916.db2.gz YHBFTBKENHLQBA-LJQANCHMSA-N 1 2 383.448 2.062 50 0 GEAALO O=C(c1ncoc1C1CC1)N1CCC[C@@]2(CCC(=O)N(CCc3c[nH+]c[nH]3)C2)C1 ZINC000082128146 211161887 /nfs/dbraw/zinc/16/18/87/211161887.db2.gz PCANGRLMFCGLLG-NRFANRHFSA-N 1 2 397.479 2.363 50 0 GEAALO O=C(c1ncoc1C1CC1)N1CCC[C@@]2(CCC(=O)N(CCc3c[nH]c[nH+]3)C2)C1 ZINC000082128146 211161891 /nfs/dbraw/zinc/16/18/91/211161891.db2.gz PCANGRLMFCGLLG-NRFANRHFSA-N 1 2 397.479 2.363 50 0 GEAALO Cc1ccn(-c2cc(NCCNS(=O)(=O)c3ccccc3Cl)[nH+]cn2)n1 ZINC000082230693 211164488 /nfs/dbraw/zinc/16/44/88/211164488.db2.gz CWDAQMOLVNZIOJ-UHFFFAOYSA-N 1 2 392.872 2.015 50 0 GEAALO CCCCc1[nH]c(CN2CCN(CC=C(C)C)[C@@H]3CS(=O)(=O)C[C@@H]32)c[nH+]1 ZINC000072478033 211124314 /nfs/dbraw/zinc/12/43/14/211124314.db2.gz OWLUEMXTGDJOQQ-MSOLQXFVSA-N 1 2 380.558 2.002 50 0 GEAALO CCCCc1[nH]cc(CN2CCN(CC=C(C)C)[C@@H]3CS(=O)(=O)C[C@@H]32)[nH+]1 ZINC000072478033 211124316 /nfs/dbraw/zinc/12/43/16/211124316.db2.gz OWLUEMXTGDJOQQ-MSOLQXFVSA-N 1 2 380.558 2.002 50 0 GEAALO O=C(NCc1nc(-c2ccccc2)no1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000072434258 211120905 /nfs/dbraw/zinc/12/09/05/211120905.db2.gz XCLQZAXKPUVDFH-UHFFFAOYSA-N 1 2 378.432 2.499 50 0 GEAALO Cc1ccc(CNC(=O)c2cccc3c2CN(CCc2cn(C)c[nH+]2)C3=O)o1 ZINC000072406737 211113984 /nfs/dbraw/zinc/11/39/84/211113984.db2.gz JOYPCWXRROVFCH-UHFFFAOYSA-N 1 2 378.432 2.450 50 0 GEAALO Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000072157175 211077650 /nfs/dbraw/zinc/07/76/50/211077650.db2.gz VISBNLDVENVJGL-MRXNPFEDSA-N 1 2 380.489 2.119 50 0 GEAALO Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000072157175 211077652 /nfs/dbraw/zinc/07/76/52/211077652.db2.gz VISBNLDVENVJGL-MRXNPFEDSA-N 1 2 380.489 2.119 50 0 GEAALO CC(C)=CC[N@@H+]1CCNC(=O)[C@H]1CC(=O)N1CCc2c3ccccc3[nH]c2C1 ZINC000072142972 211074736 /nfs/dbraw/zinc/07/47/36/211074736.db2.gz NLIOKFNPFFGFBH-HXUWFJFHSA-N 1 2 380.492 2.209 50 0 GEAALO CC(C)=CC[N@H+]1CCNC(=O)[C@H]1CC(=O)N1CCc2c3ccccc3[nH]c2C1 ZINC000072142972 211074738 /nfs/dbraw/zinc/07/47/38/211074738.db2.gz NLIOKFNPFFGFBH-HXUWFJFHSA-N 1 2 380.492 2.209 50 0 GEAALO CC(C)[C@@H](NC(=O)N1CCN(c2cccc[nH+]2)CC1)C(=O)NCc1ccccc1 ZINC000071334166 211047775 /nfs/dbraw/zinc/04/77/75/211047775.db2.gz DWECSACKBKDNMP-HXUWFJFHSA-N 1 2 395.507 2.254 50 0 GEAALO Cc1ccc(C(=O)N(C)c2ccccc2)cc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000071376188 211046923 /nfs/dbraw/zinc/04/69/23/211046923.db2.gz RLRDYLQHUHEXNZ-UHFFFAOYSA-N 1 2 387.505 2.208 50 0 GEAALO Cc1nc(NC(=O)[C@@H](C)NC(=O)N2CCN(c3cccc[nH+]3)CC2)sc1C ZINC000071328877 211045314 /nfs/dbraw/zinc/04/53/14/211045314.db2.gz ORMFYCSSZCFPGR-CYBMUJFWSA-N 1 2 388.497 2.014 50 0 GEAALO Cc1ccc(C)c(S(=O)(=O)N2CCCSC[C@@H]2C[NH+]2CCOCC2)c1 ZINC000090609238 211036534 /nfs/dbraw/zinc/03/65/34/211036534.db2.gz BGUCAWOMYAWHBG-KRWDZBQOSA-N 1 2 384.567 2.132 50 0 GEAALO COc1ccccc1Cc1noc(C2C[NH+](CC(=O)N3CCC(C)CC3)C2)n1 ZINC000090567323 211035640 /nfs/dbraw/zinc/03/56/40/211035640.db2.gz KPLJQINAAXNFDS-UHFFFAOYSA-N 1 2 384.480 2.327 50 0 GEAALO COc1ncc(CN2CCc3[nH+]c[nH]c3[C@H]2c2ccc(NC(C)=O)cc2)cn1 ZINC000067841646 211025484 /nfs/dbraw/zinc/02/54/84/211025484.db2.gz BLSSCLJXYKJMEF-LJQANCHMSA-N 1 2 378.436 2.314 50 0 GEAALO Cc1n[nH]c(C)c1CC(=O)NCc1ccc[nH+]c1N(C)CCc1ccccn1 ZINC000067769739 211020839 /nfs/dbraw/zinc/02/08/39/211020839.db2.gz XLGZOTZDEAAIFU-UHFFFAOYSA-N 1 2 378.480 2.354 50 0 GEAALO CN(Cc1[nH]cc[nH+]1)C(=O)[C@H]1C[C@@H](C(=O)[O-])[N@H+](C)[C@H]1c1cccc(Cl)c1 ZINC000067673767 211014516 /nfs/dbraw/zinc/01/45/16/211014516.db2.gz NHSATXKLCUEEIW-DZKIICNBSA-N 1 2 376.844 2.168 50 0 GEAALO CN(Cc1[nH]cc[nH+]1)C(=O)[C@H]1C[C@@H](C(=O)[O-])[N@@H+](C)[C@H]1c1cccc(Cl)c1 ZINC000067673767 211014518 /nfs/dbraw/zinc/01/45/18/211014518.db2.gz NHSATXKLCUEEIW-DZKIICNBSA-N 1 2 376.844 2.168 50 0 GEAALO CCCc1nc(C)c(CNC(=O)C2=C(C)NC(=O)N[C@H]2c2[nH]c[nH+]c2C)s1 ZINC000067515490 211011596 /nfs/dbraw/zinc/01/15/96/211011596.db2.gz LBNAAZRDFATVNU-MRXNPFEDSA-N 1 2 388.497 2.380 50 0 GEAALO COC(=O)C1=C(C[NH+]2CCSCC2)NC(=O)N[C@H]1c1ccccc1Cl ZINC000026455821 210496903 /nfs/dbraw/zinc/49/69/03/210496903.db2.gz WYLDYVKSFAVUJC-HNNXBMFYSA-N 1 2 381.885 2.170 50 0 GEAALO CSc1ncc(CN2CC[N@H+](Cc3ccccc3F)[C@H](CCO)C2)cn1 ZINC000022853587 210424646 /nfs/dbraw/zinc/42/46/46/210424646.db2.gz FSFXXJZAGZCNAJ-QGZVFWFLSA-N 1 2 376.501 2.406 50 0 GEAALO CSc1ncc(CN2CC[N@@H+](Cc3ccccc3F)[C@H](CCO)C2)cn1 ZINC000022853587 210424651 /nfs/dbraw/zinc/42/46/51/210424651.db2.gz FSFXXJZAGZCNAJ-QGZVFWFLSA-N 1 2 376.501 2.406 50 0 GEAALO CCOc1ccc(C[NH+]2CCN(C(=O)CNC(=O)c3cccs3)CC2)cc1 ZINC000021476284 210382535 /nfs/dbraw/zinc/38/25/35/210382535.db2.gz ASSGPNPHPNKYCE-UHFFFAOYSA-N 1 2 387.505 2.221 50 0 GEAALO COc1ccc(-n2c(C)nc3cc(C(=O)NCC[NH+]4CCOCC4)ccc32)cc1 ZINC000020757807 210361174 /nfs/dbraw/zinc/36/11/74/210361174.db2.gz MJYOYUFJHMUQBO-UHFFFAOYSA-N 1 2 394.475 2.405 50 0 GEAALO OCCCNc1nc2nnnn2c2sc3c(c21)CC[N@@H+](Cc1ccccc1)C3 ZINC000020517492 210343453 /nfs/dbraw/zinc/34/34/53/210343453.db2.gz HRCMQMFJYSMCMY-UHFFFAOYSA-N 1 2 395.492 2.087 50 0 GEAALO OCCCNc1nc2nnnn2c2sc3c(c21)CC[N@H+](Cc1ccccc1)C3 ZINC000020517492 210343458 /nfs/dbraw/zinc/34/34/58/210343458.db2.gz HRCMQMFJYSMCMY-UHFFFAOYSA-N 1 2 395.492 2.087 50 0 GEAALO O=C1CN(Cc2[nH]cc[nH+]2)C[C@H](OCc2cccnc2)CN1C1CCCCC1 ZINC000020455174 210336722 /nfs/dbraw/zinc/33/67/22/210336722.db2.gz XLQRBWXVIJHJBF-IBGZPJMESA-N 1 2 383.496 2.367 50 0 GEAALO Cc1ccc(C(=O)C[C@@]2(O)C(=O)N(CN3CC[NH+](C)CC3)c3ccccc32)s1 ZINC000020414386 210330527 /nfs/dbraw/zinc/33/05/27/210330527.db2.gz YQYIXOORMOXMBU-NRFANRHFSA-N 1 2 399.516 2.069 50 0 GEAALO COc1cc(C[N@@H+]2CCN(Cc3ccc(O)cc3)C[C@@H]2CCO)cc(OC)c1 ZINC000020363653 210328702 /nfs/dbraw/zinc/32/87/02/210328702.db2.gz MJTQXMIWGSCQIV-IBGZPJMESA-N 1 2 386.492 2.478 50 0 GEAALO COc1cc(C[N@H+]2CCN(Cc3ccc(O)cc3)C[C@@H]2CCO)cc(OC)c1 ZINC000020363653 210328708 /nfs/dbraw/zinc/32/87/08/210328708.db2.gz MJTQXMIWGSCQIV-IBGZPJMESA-N 1 2 386.492 2.478 50 0 GEAALO COc1ccc(NC(=O)CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000020123866 210318760 /nfs/dbraw/zinc/31/87/60/210318760.db2.gz RMWVHKQHZSNRBR-UHFFFAOYSA-N 1 2 383.448 2.180 50 0 GEAALO c1ccc(CN2Cn3c4ccccc4nc3N(CC[NH+]3CCOCC3)C2)nc1 ZINC000020101380 210316059 /nfs/dbraw/zinc/31/60/59/210316059.db2.gz SCVBNWLTZVBION-UHFFFAOYSA-N 1 2 378.480 2.001 50 0 GEAALO Cc1cc(S(=O)(=O)NCCC[NH+]2CCOCC2)c(C)cc1Br ZINC000019898260 210306946 /nfs/dbraw/zinc/30/69/46/210306946.db2.gz YPXFDJRHSWOUDR-UHFFFAOYSA-N 1 2 391.331 2.067 50 0 GEAALO O=C(NCc1c[nH+]c2ccccn12)c1cc(COc2ccc3c(c2)OCO3)n[nH]1 ZINC000011819637 221128765 /nfs/dbraw/zinc/12/87/65/221128765.db2.gz AXYDUEZIVDSMCC-UHFFFAOYSA-N 1 2 391.387 2.295 50 0 GEAALO C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)C[NH+]1CCN(c2ccccc2O)CC1 ZINC000058170280 136154845 /nfs/dbraw/zinc/15/48/45/136154845.db2.gz WVXKTFLTEHIMSE-MRXNPFEDSA-N 1 2 394.475 2.278 50 0 GEAALO Cc1cccc(C)c1NC(=O)C[NH+]1CCN(c2ccc3nccnc3n2)CC1 ZINC000058193257 136155010 /nfs/dbraw/zinc/15/50/10/136155010.db2.gz CSOYNBPGDMGNCD-UHFFFAOYSA-N 1 2 376.464 2.402 50 0 GEAALO O=C(NCc1ccccn1)C1CCN(c2cc(N3CCCCC3)[nH+]cn2)CC1 ZINC000065307722 136162879 /nfs/dbraw/zinc/16/28/79/136162879.db2.gz JIJPULMAGPLPOI-UHFFFAOYSA-N 1 2 380.496 2.395 50 0 GEAALO O=C(NCc1ccccn1)C1CCN(c2cc(N3CCCCC3)nc[nH+]2)CC1 ZINC000065307722 136162880 /nfs/dbraw/zinc/16/28/80/136162880.db2.gz JIJPULMAGPLPOI-UHFFFAOYSA-N 1 2 380.496 2.395 50 0 GEAALO Fc1ccc(Cn2ncc3c2CN(c2cc(N4CCOCC4)[nH+]cn2)C3)cc1 ZINC000067673477 136164849 /nfs/dbraw/zinc/16/48/49/136164849.db2.gz QMTDEENTJQLPJK-UHFFFAOYSA-N 1 2 380.427 2.217 50 0 GEAALO Fc1ccc(Cn2ncc3c2CN(c2cc(N4CCOCC4)nc[nH+]2)C3)cc1 ZINC000067673477 136164850 /nfs/dbraw/zinc/16/48/50/136164850.db2.gz QMTDEENTJQLPJK-UHFFFAOYSA-N 1 2 380.427 2.217 50 0 GEAALO Cc1ccc(-c2ccnc(N3CCO[C@H](C(=O)N(C)CC(C)C)C3)n2)c(C)[nH+]1 ZINC000072422003 136169896 /nfs/dbraw/zinc/16/98/96/136169896.db2.gz KMEVNCZDSBSUIL-IBGZPJMESA-N 1 2 383.496 2.475 50 0 GEAALO O=C(/C=C/c1ccco1)Nc1cnc(N2CCN(c3cccc[nH+]3)CC2)nc1 ZINC000077196654 136171848 /nfs/dbraw/zinc/17/18/48/136171848.db2.gz OQUOLAAJHOHTAD-VOTSOKGWSA-N 1 2 376.420 2.443 50 0 GEAALO COc1ccc(CN2CCN(c3ccc(Cn4cc[nH+]c4)cn3)CC2=O)cc1 ZINC000077390237 136172135 /nfs/dbraw/zinc/17/21/35/136172135.db2.gz VMJJSZGOSMDFKT-UHFFFAOYSA-N 1 2 377.448 2.184 50 0 GEAALO C[C@@H]1CN(c2ccc(Cl)cc2)C(=O)C[N@@H+]1Cc1cccc(OCC(N)=O)c1 ZINC000082170987 136174300 /nfs/dbraw/zinc/17/43/00/136174300.db2.gz CJCMMPYROMVLEK-CQSZACIVSA-N 1 2 387.867 2.441 50 0 GEAALO C[C@@H]1CN(c2ccc(Cl)cc2)C(=O)C[N@H+]1Cc1cccc(OCC(N)=O)c1 ZINC000082170987 136174301 /nfs/dbraw/zinc/17/43/01/136174301.db2.gz CJCMMPYROMVLEK-CQSZACIVSA-N 1 2 387.867 2.441 50 0 GEAALO Cc1noc(C)c1C[N@@H+]1CCc2c(C(=O)NCc3cc(=O)[nH]cn3)csc2C1 ZINC000426477269 534359631 /nfs/dbraw/zinc/35/96/31/534359631.db2.gz SZVVEQVDFFJCRR-UHFFFAOYSA-N 1 2 399.476 2.337 50 0 GEAALO Cc1noc(C)c1C[N@H+]1CCc2c(C(=O)NCc3cc(=O)[nH]cn3)csc2C1 ZINC000426477269 534359642 /nfs/dbraw/zinc/35/96/42/534359642.db2.gz SZVVEQVDFFJCRR-UHFFFAOYSA-N 1 2 399.476 2.337 50 0 GEAALO COc1ccc(C(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)cc1N1CCOCC1 ZINC000095530792 536718364 /nfs/dbraw/zinc/71/83/64/536718364.db2.gz BCIDKSDSAAEGQU-QGZVFWFLSA-N 1 2 384.480 2.285 50 0 GEAALO CC1(C)C(=O)Nc2ccccc2N1C(=O)C[NH+]1CCN(c2ccccc2O)CC1 ZINC000053201317 570230518 /nfs/dbraw/zinc/23/05/18/570230518.db2.gz CXRWZJDJIPVFMG-UHFFFAOYSA-N 1 2 394.475 2.278 50 0 GEAALO C[C@@H](C(=O)Nc1ncccn1)[NH+]1CCC(NC(=O)CCc2ccccc2)CC1 ZINC000048303254 570231673 /nfs/dbraw/zinc/23/16/73/570231673.db2.gz MLNUBVHRZUVYNR-INIZCTEOSA-N 1 2 381.480 2.017 50 0 GEAALO CCOC(=O)C1CC[NH+](CN2C(=O)N[C@@](C)(c3cccc(Cl)c3)C2=O)CC1 ZINC000048354161 570241368 /nfs/dbraw/zinc/24/13/68/570241368.db2.gz VEEMAEVNQCEWAU-IBGZPJMESA-N 1 2 393.871 2.340 50 0 GEAALO O=C(Cn1c(=O)cnc2ccccc21)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000048356126 570242267 /nfs/dbraw/zinc/24/22/67/570242267.db2.gz PDSKQOSLXSUWOL-UHFFFAOYSA-N 1 2 391.475 2.488 50 0 GEAALO COc1cccc(CN2CC[N@H+](Cc3ccc(O)c(OC)c3)C[C@H]2CCO)c1 ZINC000104389538 570257838 /nfs/dbraw/zinc/25/78/38/570257838.db2.gz UUPCQVPMKIRNTE-LJQANCHMSA-N 1 2 386.492 2.478 50 0 GEAALO COc1cccc(CN2CC[N@@H+](Cc3ccc(O)c(OC)c3)C[C@H]2CCO)c1 ZINC000104389538 570257842 /nfs/dbraw/zinc/25/78/42/570257842.db2.gz UUPCQVPMKIRNTE-LJQANCHMSA-N 1 2 386.492 2.478 50 0 GEAALO Cc1cc(C)n(CCCNC(=O)N2CC[NH+](CCOc3ccccc3)CC2)n1 ZINC000053521451 570260538 /nfs/dbraw/zinc/26/05/38/570260538.db2.gz HBFKSOYSDIRTTJ-UHFFFAOYSA-N 1 2 385.512 2.296 50 0 GEAALO O=C(NCC1=CSC2=[NH+]CCN12)[C@@H]1CCC(=O)N(CC2CCCCC2)C1 ZINC000102793478 570292466 /nfs/dbraw/zinc/29/24/66/570292466.db2.gz GEZRELRSLLEZJA-OAHLLOKOSA-N 1 2 376.526 2.181 50 0 GEAALO CCOc1ccccc1C[NH+]1CCN(CC(=O)Nc2cccc3nonc32)CC1 ZINC000022752399 570326386 /nfs/dbraw/zinc/32/63/86/570326386.db2.gz FXCSAVZRIKDBTM-UHFFFAOYSA-N 1 2 395.463 2.378 50 0 GEAALO C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1[nH+]cnc2c1cnn2C ZINC000011683704 570326427 /nfs/dbraw/zinc/32/64/27/570326427.db2.gz GVBDMPYLZZILND-NSHDSACASA-N 1 2 382.449 2.219 50 0 GEAALO Cc1nc(CN2CC[NH+](CC(=O)NCCc3c[nH]c4ccccc34)CC2)cs1 ZINC000022816091 570329908 /nfs/dbraw/zinc/32/99/08/570329908.db2.gz VHBHLFAAHZCLHL-UHFFFAOYSA-N 1 2 397.548 2.409 50 0 GEAALO O=C([C@H]1CCCO1)N1CC[NH+](Cc2cc(=O)oc3cc4c(cc23)CCC4)CC1 ZINC000023821777 570333326 /nfs/dbraw/zinc/33/33/26/570333326.db2.gz LNYYXMNFFJYJAN-LJQANCHMSA-N 1 2 382.460 2.105 50 0 GEAALO O=C(Nc1cccc(OC(F)F)c1)C1CN(c2cc(-n3cc[nH+]c3)ncn2)C1 ZINC000575610688 570333924 /nfs/dbraw/zinc/33/39/24/570333924.db2.gz XKQOFGGWEKQHCH-UHFFFAOYSA-N 1 2 386.362 2.339 50 0 GEAALO O=C(c1c[nH]c2ccccc12)[C@@H](O)[C@@H](c1ccccc1)[NH+]1CCN(CCO)CC1 ZINC000023116743 570344481 /nfs/dbraw/zinc/34/44/81/570344481.db2.gz RLFLSDRDEWMTOT-GGAORHGYSA-N 1 2 393.487 2.063 50 0 GEAALO O=C(c1c[nH]c2ccccc12)[C@@H](O)[C@@H](c1ccccc1)N1CC[NH+](CCO)CC1 ZINC000023116743 570344486 /nfs/dbraw/zinc/34/44/86/570344486.db2.gz RLFLSDRDEWMTOT-GGAORHGYSA-N 1 2 393.487 2.063 50 0 GEAALO O=C(c1c[nH]c2ccccc12)[C@@H](O)[C@H](c1ccccc1)[NH+]1CCN(CCO)CC1 ZINC000023116744 570344657 /nfs/dbraw/zinc/34/46/57/570344657.db2.gz RLFLSDRDEWMTOT-GMAHTHKFSA-N 1 2 393.487 2.063 50 0 GEAALO O=C(c1c[nH]c2ccccc12)[C@@H](O)[C@H](c1ccccc1)N1CC[NH+](CCO)CC1 ZINC000023116744 570344662 /nfs/dbraw/zinc/34/46/62/570344662.db2.gz RLFLSDRDEWMTOT-GMAHTHKFSA-N 1 2 393.487 2.063 50 0 GEAALO COc1ccc(NC(=O)N2CCN(c3cc(-n4cccn4)nc(C)[nH+]3)CC2)cc1 ZINC000023144571 570346437 /nfs/dbraw/zinc/34/64/37/570346437.db2.gz CJYYKVRFVTZEPP-UHFFFAOYSA-N 1 2 393.451 2.333 50 0 GEAALO C[C@H](C(=O)Nc1ccc(F)cc1)N1CC[NH+](CC(=O)N2CCCCCC2)CC1 ZINC000023301258 570354290 /nfs/dbraw/zinc/35/42/90/570354290.db2.gz DDFYKVBWBUABQE-QGZVFWFLSA-N 1 2 390.503 2.173 50 0 GEAALO C[C@@H](C(=O)Nc1ccccc1)N1CC[NH+](CC(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000023370951 570357271 /nfs/dbraw/zinc/35/72/71/570357271.db2.gz ZTPDAUIPLYYBIG-OTWHNJEPSA-N 1 2 386.540 2.136 50 0 GEAALO CCn1c2ccc(C(=O)N3CCN(c4cccc[nH+]4)CC3)cc2nc(C)c1=O ZINC000035479866 570367731 /nfs/dbraw/zinc/36/77/31/570367731.db2.gz ZOZSVDGTPRBCDR-UHFFFAOYSA-N 1 2 377.448 2.082 50 0 GEAALO Cc1nn(-c2ccc(C)cc2C)nc1C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000023761064 570371758 /nfs/dbraw/zinc/37/17/58/570371758.db2.gz COLFSMCIOUASAQ-SFHVURJKSA-N 1 2 383.496 2.129 50 0 GEAALO COc1ccc([C@H]2CC(=O)c3c(C)nc(N4CC[NH+](C)CC4)nc3C2)c(OC)c1 ZINC000004988727 570390408 /nfs/dbraw/zinc/39/04/08/570390408.db2.gz NELPOGLABPWWAO-OAHLLOKOSA-N 1 2 396.491 2.467 50 0 GEAALO Cc1ccc(OCCNC(=O)NCc2cc[nH+]c(N3CCOCC3)c2)c(C)c1 ZINC000026382124 570425053 /nfs/dbraw/zinc/42/50/53/570425053.db2.gz XTFBPZOEXIBIFU-UHFFFAOYSA-N 1 2 384.480 2.413 50 0 GEAALO O=C(NCc1ccc(N2CCCC2=O)cc1)NCc1cccnc1-n1cc[nH+]c1 ZINC000026388305 570425461 /nfs/dbraw/zinc/42/54/61/570425461.db2.gz LDFFMOIMRIYXCM-UHFFFAOYSA-N 1 2 390.447 2.394 50 0 GEAALO Cc1cc(NCc2cc[nH+]c(N3CCOCC3)c2)n2nc(C(F)(F)F)nc2n1 ZINC000026717062 570428043 /nfs/dbraw/zinc/42/80/43/570428043.db2.gz QCMIPYKTYTWTAE-UHFFFAOYSA-N 1 2 393.373 2.295 50 0 GEAALO Cc1cc2nc(N3CC[NH+](CC(=O)N4CCCCC4)CC3)c3ccccc3n2n1 ZINC000026697807 570428081 /nfs/dbraw/zinc/42/80/81/570428081.db2.gz DZVKDNDBNLHEST-UHFFFAOYSA-N 1 2 392.507 2.325 50 0 GEAALO O=C(C[N@H+](Cc1ccco1)Cc1ccc(C(=O)NC2CC2)cc1)N1CCOCC1 ZINC000026926498 570430196 /nfs/dbraw/zinc/43/01/96/570430196.db2.gz QLHNAAHPFVWLIH-UHFFFAOYSA-N 1 2 397.475 2.033 50 0 GEAALO O=C(C[N@@H+](Cc1ccco1)Cc1ccc(C(=O)NC2CC2)cc1)N1CCOCC1 ZINC000026926498 570430200 /nfs/dbraw/zinc/43/02/00/570430200.db2.gz QLHNAAHPFVWLIH-UHFFFAOYSA-N 1 2 397.475 2.033 50 0 GEAALO COc1ccc([C@@H]2CCCCC[N@@H+]2CC(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000248058767 570437003 /nfs/dbraw/zinc/43/70/03/570437003.db2.gz PKWZZPGFVPLFEX-HKUYNNGSSA-N 1 2 394.537 2.258 50 0 GEAALO COc1ccc([C@@H]2CCCCC[N@H+]2CC(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000248058767 570437006 /nfs/dbraw/zinc/43/70/06/570437006.db2.gz PKWZZPGFVPLFEX-HKUYNNGSSA-N 1 2 394.537 2.258 50 0 GEAALO CCOC(=O)c1cc(C(C)C)sc1NC(=O)C[NH+]1CCC(C(N)=O)CC1 ZINC000006507369 570460601 /nfs/dbraw/zinc/46/06/01/570460601.db2.gz QVONCBNDJDNXBI-UHFFFAOYSA-N 1 2 381.498 2.184 50 0 GEAALO COc1ccc(CCNC(=O)Cn2c3ccccc3[nH+]c2NC[C@@H](C)O)cc1 ZINC000028914698 570466490 /nfs/dbraw/zinc/46/64/90/570466490.db2.gz BZWHADUUWKQXQS-OAHLLOKOSA-N 1 2 382.464 2.197 50 0 GEAALO CNS(=O)(=O)c1ccc(NCc2cc[nH+]c(N3CCCCCC3)c2)nc1 ZINC000252538112 570478158 /nfs/dbraw/zinc/47/81/58/570478158.db2.gz MSEBWWLUKFHAKD-UHFFFAOYSA-N 1 2 375.498 2.377 50 0 GEAALO Cc1ccc2nc(C[N@H+]3CCCn4nc([C@@H](O)c5ccnn5C)cc4C3)cn2c1 ZINC000223925574 570490475 /nfs/dbraw/zinc/49/04/75/570490475.db2.gz WTJSTQLWIYUQJX-OAQYLSRUSA-N 1 2 391.479 2.060 50 0 GEAALO Cc1ccc2nc(C[N@@H+]3CCCn4nc([C@@H](O)c5ccnn5C)cc4C3)cn2c1 ZINC000223925574 570490477 /nfs/dbraw/zinc/49/04/77/570490477.db2.gz WTJSTQLWIYUQJX-OAQYLSRUSA-N 1 2 391.479 2.060 50 0 GEAALO C[NH+]1CCN(S(=O)(=O)c2cccc(C(=O)Nc3ccc(F)cc3)c2)CC1 ZINC000036036859 570559942 /nfs/dbraw/zinc/55/99/42/570559942.db2.gz DWPJPWPLAOZMBR-UHFFFAOYSA-N 1 2 377.441 2.014 50 0 GEAALO COc1ccc(CC(=O)N2CCN(c3cc(N4CCCCC4)[nH+]cn3)CC2)cc1 ZINC000038528404 570580382 /nfs/dbraw/zinc/58/03/82/570580382.db2.gz JLARFBHERSSFIX-UHFFFAOYSA-N 1 2 395.507 2.367 50 0 GEAALO COc1ccc(CC(=O)N2CCN(c3cc(N4CCCCC4)nc[nH+]3)CC2)cc1 ZINC000038528404 570580386 /nfs/dbraw/zinc/58/03/86/570580386.db2.gz JLARFBHERSSFIX-UHFFFAOYSA-N 1 2 395.507 2.367 50 0 GEAALO O=C(NC[C@@H]1CCCO1)[C@H](C1CCCC1)[NH+]1CCN(C(=O)C2CCCC2)CC1 ZINC000036253933 570588016 /nfs/dbraw/zinc/58/80/16/570588016.db2.gz WWEGUIFTNAPDQA-PMACEKPBSA-N 1 2 391.556 2.175 50 0 GEAALO OCCOc1ccc(CN2CC[N@H+](Cc3ccc(F)cc3)[C@H](CCO)C2)cc1 ZINC000039500331 570592537 /nfs/dbraw/zinc/59/25/37/570592537.db2.gz OADSCJYSCHWDJN-OAQYLSRUSA-N 1 2 388.483 2.266 50 0 GEAALO OCCOc1ccc(CN2CC[N@@H+](Cc3ccc(F)cc3)[C@H](CCO)C2)cc1 ZINC000039500331 570592539 /nfs/dbraw/zinc/59/25/39/570592539.db2.gz OADSCJYSCHWDJN-OAQYLSRUSA-N 1 2 388.483 2.266 50 0 GEAALO CCOC(=O)c1n[nH]cc1C[N@@H+]1CCC[C@@H](Nc2ccc3c(c2)OCCO3)C1 ZINC000011936566 570593997 /nfs/dbraw/zinc/59/39/97/570593997.db2.gz IADFZLXLFAVGNA-MRXNPFEDSA-N 1 2 386.452 2.434 50 0 GEAALO CCOC(=O)c1n[nH]cc1C[N@H+]1CCC[C@@H](Nc2ccc3c(c2)OCCO3)C1 ZINC000011936566 570594000 /nfs/dbraw/zinc/59/40/00/570594000.db2.gz IADFZLXLFAVGNA-MRXNPFEDSA-N 1 2 386.452 2.434 50 0 GEAALO C[NH+]1CCN(C2=NCCN2S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1 ZINC000064929859 570595504 /nfs/dbraw/zinc/59/55/04/570595504.db2.gz AOHKTIDHLQTKPD-UHFFFAOYSA-N 1 2 390.553 2.342 50 0 GEAALO Cc1cc2[nH+]cn(Cc3cc(C(=O)N(C)Cc4cnccn4)[nH]n3)c2cc1C ZINC000012202544 570624890 /nfs/dbraw/zinc/62/48/90/570624890.db2.gz UZKSHNCKMYPALY-UHFFFAOYSA-N 1 2 375.436 2.487 50 0 GEAALO CCn1ccnc1C[N@@H+]1CCC[C@@H](CNS(=O)(=O)Cc2ccccc2)C1 ZINC000012305209 570638023 /nfs/dbraw/zinc/63/80/23/570638023.db2.gz WYRIBRNZSNDWDI-SFHVURJKSA-N 1 2 376.526 2.235 50 0 GEAALO CCn1ccnc1C[N@H+]1CCC[C@@H](CNS(=O)(=O)Cc2ccccc2)C1 ZINC000012305209 570638027 /nfs/dbraw/zinc/63/80/27/570638027.db2.gz WYRIBRNZSNDWDI-SFHVURJKSA-N 1 2 376.526 2.235 50 0 GEAALO CCc1[nH+]c2ccccc2n1CC(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000008719406 570681576 /nfs/dbraw/zinc/68/15/76/570681576.db2.gz PVVVNUIRLAADGZ-UHFFFAOYSA-N 1 2 386.477 2.488 50 0 GEAALO Cn1cc[nH+]c1[C@@H](NC(=O)c1nn(C)c(=O)c2ccccc12)c1cccc(F)c1 ZINC000012629216 570692290 /nfs/dbraw/zinc/69/22/90/570692290.db2.gz ZLHHSQKRAXALOW-KRWDZBQOSA-N 1 2 391.406 2.326 50 0 GEAALO CCOc1ccc(C(=O)N[C@H]2C[C@H](c3nnc(Cn4cc[nH+]c4)n3C)C2)cc1 ZINC000244873095 570697985 /nfs/dbraw/zinc/69/79/85/570697985.db2.gz WJZDRZJIXCRWGJ-WKILWMFISA-N 1 2 380.452 2.135 50 0 GEAALO C[C@@H](C(=O)Nc1ccc(F)cc1Cl)[NH+]1CCC(C(=O)N2CCOCC2)CC1 ZINC000032665165 570731060 /nfs/dbraw/zinc/73/10/60/570731060.db2.gz GWZOUTGKGPDOBC-ZDUSSCGKSA-N 1 2 397.878 2.377 50 0 GEAALO CCOc1ccccc1N1CC[NH+](CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000052634728 570755530 /nfs/dbraw/zinc/75/55/30/570755530.db2.gz WDGLFPUGIVIDRJ-UHFFFAOYSA-N 1 2 395.463 2.016 50 0 GEAALO Cc1cc(N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)nc(C(C)C)[nH+]1 ZINC000032717216 570756198 /nfs/dbraw/zinc/75/61/98/570756198.db2.gz AODMOJRDOMTJSQ-SFHVURJKSA-N 1 2 382.464 2.397 50 0 GEAALO O=C(NCC[NH+]1CCOCC1)[C@@H]1CN(C(=O)c2ccccc2)CC12CCCCC2 ZINC000065266074 570769319 /nfs/dbraw/zinc/76/93/19/570769319.db2.gz JXFAIHDBPDICOO-FQEVSTJZSA-N 1 2 399.535 2.158 50 0 GEAALO Cc1cc(C)n(-c2cc(NCCNC(=O)[C@@H](C)Oc3ccccc3)[nH+]cn2)n1 ZINC000036705476 570793137 /nfs/dbraw/zinc/79/31/37/570793137.db2.gz AEJRAOKTOJEDNR-MRXNPFEDSA-N 1 2 380.452 2.275 50 0 GEAALO O=C(c1cc2ccccc2o1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000036708244 570794003 /nfs/dbraw/zinc/79/40/03/570794003.db2.gz ABPMWPGVZFGIDC-UHFFFAOYSA-N 1 2 393.447 2.022 50 0 GEAALO O=C(c1cc2ccccc2o1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000036708244 570794007 /nfs/dbraw/zinc/79/40/07/570794007.db2.gz ABPMWPGVZFGIDC-UHFFFAOYSA-N 1 2 393.447 2.022 50 0 GEAALO CC[N@H+](CCCNC(=O)[C@@H]1CCCN(c2cnn(C)c(=O)c2)C1)c1ccccc1 ZINC000065314133 570796195 /nfs/dbraw/zinc/79/61/95/570796195.db2.gz LOBOXZJPAAKODO-GOSISDBHSA-N 1 2 397.523 2.030 50 0 GEAALO CC[N@@H+](CCCNC(=O)[C@@H]1CCCN(c2cnn(C)c(=O)c2)C1)c1ccccc1 ZINC000065314133 570796198 /nfs/dbraw/zinc/79/61/98/570796198.db2.gz LOBOXZJPAAKODO-GOSISDBHSA-N 1 2 397.523 2.030 50 0 GEAALO C[NH+]1CCN(Cc2cc(=O)n3nc(-c4ccc(C(C)(C)C)cc4)[nH]c3n2)CC1 ZINC000101747757 570832093 /nfs/dbraw/zinc/83/20/93/570832093.db2.gz HZIZCGUPNAKMCR-UHFFFAOYSA-N 1 2 380.496 2.130 50 0 GEAALO Cc1ccc(N2C[C@H](C(=O)N3CC[NH+](CC(=O)C(C)(C)C)CC3)CC2=O)cc1 ZINC000032809854 570832301 /nfs/dbraw/zinc/83/23/01/570832301.db2.gz OMWUGGHUFWUYNS-QGZVFWFLSA-N 1 2 385.508 2.107 50 0 GEAALO Cc1ccc(-c2c(=O)c(=O)c2NCCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000101982059 570840325 /nfs/dbraw/zinc/84/03/25/570840325.db2.gz HGDFGMOKDHEOJS-UHFFFAOYSA-N 1 2 389.499 2.488 50 0 GEAALO Cn1cc[nH+]c1[C@@H](NC(=O)Cn1cnc2sccc2c1=O)c1ccccc1 ZINC000032830660 570844723 /nfs/dbraw/zinc/84/47/23/570844723.db2.gz BABVHDPPEWCCIN-INIZCTEOSA-N 1 2 379.445 2.097 50 0 GEAALO COc1cccc([C@H](NC(=O)Cn2c(=O)oc3ccccc32)c2[nH+]ccn2C)c1 ZINC000032842351 570851184 /nfs/dbraw/zinc/85/11/84/570851184.db2.gz OHFLCFRAHLJNAZ-IBGZPJMESA-N 1 2 392.415 2.242 50 0 GEAALO Cc1c[nH]c(CN(C)C(=O)NC2CCN(C(=O)NC3CCCCC3)CC2)[nH+]1 ZINC000534592614 570906981 /nfs/dbraw/zinc/90/69/81/570906981.db2.gz BOJLZVYYAREECR-UHFFFAOYSA-N 1 2 376.505 2.366 50 0 GEAALO C[NH+]1CCN(c2nnc(SCC(=O)N3CCCc4ccccc43)s2)CC1 ZINC000023139755 570917041 /nfs/dbraw/zinc/91/70/41/570917041.db2.gz BZLFQXXQHUYVJO-UHFFFAOYSA-N 1 2 389.550 2.361 50 0 GEAALO Cc1cccnc1C[NH+]1CCN(C(=O)N[C@@H](C)c2cn3ncsc3n2)CC1 ZINC000534673071 570921361 /nfs/dbraw/zinc/92/13/61/570921361.db2.gz ZXLDDRANOZLVMV-AWEZNQCLSA-N 1 2 385.497 2.083 50 0 GEAALO Cn1cc[nH+]c1[C@H](NC(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)c1ccccc1 ZINC000252458439 570959533 /nfs/dbraw/zinc/95/95/33/570959533.db2.gz IFOOIYJJIZRSKX-ZHALLVOQSA-N 1 2 394.475 2.191 50 0 GEAALO CNc1cc(N2CCC[C@H]2CNc2cnc(C(=O)OC(C)(C)C)cn2)nc[nH+]1 ZINC000252492645 570974241 /nfs/dbraw/zinc/97/42/41/570974241.db2.gz MRJMENKSFULNIK-ZDUSSCGKSA-N 1 2 385.472 2.345 50 0 GEAALO CNc1cc(N2CCC[C@H]2CNc2cnc(C(=O)OC(C)(C)C)cn2)[nH+]cn1 ZINC000252492645 570974245 /nfs/dbraw/zinc/97/42/45/570974245.db2.gz MRJMENKSFULNIK-ZDUSSCGKSA-N 1 2 385.472 2.345 50 0 GEAALO Cc1noc(C)c1CCC(=O)NC[C@@H](c1cccs1)[NH+]1CCN(C)CC1 ZINC000044718969 570976871 /nfs/dbraw/zinc/97/68/71/570976871.db2.gz SAMPYQAKDOFHIG-KRWDZBQOSA-N 1 2 376.526 2.390 50 0 GEAALO OCCNc1cc(N2CCOCC2)[nH+]c(-c2ccc(Br)cc2)n1 ZINC000023114651 642410468 /nfs/dbraw/zinc/41/04/68/642410468.db2.gz ZNKLSJHGUPEUDJ-UHFFFAOYSA-N 1 2 379.258 2.147 50 0 GEAALO Cn1ccnc1[C@H](O)C1CCN(C(=O)c2ccc(-c3c[nH+]cn3C)cc2)CC1 ZINC000426410775 231216636 /nfs/dbraw/zinc/21/66/36/231216636.db2.gz YGGPZTPYCBAOLQ-LJQANCHMSA-N 1 2 379.464 2.406 50 0 GEAALO CCc1ccc(C[N@@H+]2CCc3c(C(=O)NC[C@@H](O)COC)csc3C2)nc1 ZINC000426517948 529644632 /nfs/dbraw/zinc/64/46/32/529644632.db2.gz OLIYDQPENMPUMS-MRXNPFEDSA-N 1 2 389.521 2.001 50 0 GEAALO CCc1ccc(C[N@H+]2CCc3c(C(=O)NC[C@@H](O)COC)csc3C2)nc1 ZINC000426517948 529644635 /nfs/dbraw/zinc/64/46/35/529644635.db2.gz OLIYDQPENMPUMS-MRXNPFEDSA-N 1 2 389.521 2.001 50 0 GEAALO CCc1ccc(C[N@@H+]2CCc3c(C(=O)N[C@H]4CCCNC4=O)csc3C2)nc1 ZINC000426574673 529644672 /nfs/dbraw/zinc/64/46/72/529644672.db2.gz FZBKYGLQTQWAHT-SFHVURJKSA-N 1 2 398.532 2.272 50 0 GEAALO CCc1ccc(C[N@H+]2CCc3c(C(=O)N[C@H]4CCCNC4=O)csc3C2)nc1 ZINC000426574673 529644676 /nfs/dbraw/zinc/64/46/76/529644676.db2.gz FZBKYGLQTQWAHT-SFHVURJKSA-N 1 2 398.532 2.272 50 0 GEAALO CN(CCc1ccccn1)c1[nH+]cccc1CNC(=O)c1n[nH]c2c1CCC2 ZINC000019113394 210225890 /nfs/dbraw/zinc/22/58/90/210225890.db2.gz SUOBLXXELQPFSG-UHFFFAOYSA-N 1 2 376.464 2.297 50 0 GEAALO COc1ccc(C)c(N2C(=O)C[C@@H]([NH+]3CCN(c4ccccc4)CC3)C2=O)c1 ZINC000018143287 210214321 /nfs/dbraw/zinc/21/43/21/210214321.db2.gz SVOKXHPRLRJHSM-HXUWFJFHSA-N 1 2 379.460 2.458 50 0 GEAALO O=S(=O)(c1ccc(NC(=S)NCCCn2cc[nH+]c2)cc1)N1CCCC1 ZINC000017080439 210204921 /nfs/dbraw/zinc/20/49/21/210204921.db2.gz YCYUOCJBNRRVLL-UHFFFAOYSA-N 1 2 393.538 2.044 50 0 GEAALO C[N@H+](Cc1cnn(Cc2ccccc2)c1)[C@@H](C(=O)NC(N)=O)c1ccccc1 ZINC000015508962 210159360 /nfs/dbraw/zinc/15/93/60/210159360.db2.gz BQUJZPNLEQVUIF-LJQANCHMSA-N 1 2 377.448 2.299 50 0 GEAALO C[N@@H+](Cc1cnn(Cc2ccccc2)c1)[C@@H](C(=O)NC(N)=O)c1ccccc1 ZINC000015508962 210159366 /nfs/dbraw/zinc/15/93/66/210159366.db2.gz BQUJZPNLEQVUIF-LJQANCHMSA-N 1 2 377.448 2.299 50 0 GEAALO Cc1ccc(C[N@@H+]2CCNC(=O)[C@@H]2CC(=O)NCCc2cccc(F)c2)cc1 ZINC000015073173 210151009 /nfs/dbraw/zinc/15/10/09/210151009.db2.gz XDEKKXQKPTXREI-FQEVSTJZSA-N 1 2 383.467 2.184 50 0 GEAALO Cc1ccc(C[N@H+]2CCNC(=O)[C@@H]2CC(=O)NCCc2cccc(F)c2)cc1 ZINC000015073173 210151012 /nfs/dbraw/zinc/15/10/12/210151012.db2.gz XDEKKXQKPTXREI-FQEVSTJZSA-N 1 2 383.467 2.184 50 0 GEAALO Cc1cc(N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)nc(C(C)C)[nH+]1 ZINC000015032635 210145400 /nfs/dbraw/zinc/14/54/00/210145400.db2.gz HCDOUFAKSBNBDF-UHFFFAOYSA-N 1 2 384.509 2.300 50 0 GEAALO CCN(CC)C(=O)c1sc2ncnc(NCC[NH+]3CCOCC3)c2c1C ZINC000014998724 210143082 /nfs/dbraw/zinc/14/30/82/210143082.db2.gz DLHPDIZVNZTWCC-UHFFFAOYSA-N 1 2 377.514 2.226 50 0 GEAALO O=C(/C=C/c1nc2ccccc2o1)OCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000014897532 210131240 /nfs/dbraw/zinc/13/12/40/210131240.db2.gz QLYGOJPZTCCBKK-CMDGGOBGSA-N 1 2 392.415 2.128 50 0 GEAALO C[NH+]1CCN(S(=O)(=O)c2cccc(C(=O)Nc3ccc4c(c3)CCC4)c2)CC1 ZINC000014665062 210123355 /nfs/dbraw/zinc/12/33/55/210123355.db2.gz NHNJWGNLGHPUBI-UHFFFAOYSA-N 1 2 399.516 2.364 50 0 GEAALO Cn1cc[nH+]c1[C@H](NC(=O)c1n[nH]c(=O)c2ccccc12)c1ccc(F)cc1 ZINC000014401225 210117831 /nfs/dbraw/zinc/11/78/31/210117831.db2.gz BKMHHQKBTPPPPB-MRXNPFEDSA-N 1 2 377.379 2.315 50 0 GEAALO CC(C)[C@@H](CNS(=O)(=O)c1ccccc1Br)[NH+]1CCOCC1 ZINC000012768713 210004713 /nfs/dbraw/zinc/00/47/13/210004713.db2.gz OHMIBQIWNSBYSA-CQSZACIVSA-N 1 2 391.331 2.084 50 0 GEAALO O=C(NCCCn1cc[nH+]c1)[C@H]1CC(c2cccc(Br)c2)=NO1 ZINC000004014090 531511213 /nfs/dbraw/zinc/51/12/13/531511213.db2.gz ISJDIZYBKRIQSN-OAHLLOKOSA-N 1 2 377.242 2.345 50 0 GEAALO COc1ccc(Sc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cn2)cc1 ZINC000012543221 531552572 /nfs/dbraw/zinc/55/25/72/531552572.db2.gz QOMNLEIAWUOGGV-UHFFFAOYSA-N 1 2 379.507 2.178 50 0 GEAALO C[C@]1(C2CC2)NC(=O)N(CN2CC[NH+](Cc3ccc(Cl)s3)CC2)C1=O ZINC000022932303 531595039 /nfs/dbraw/zinc/59/50/39/531595039.db2.gz FZPQULBSFFADHO-QGZVFWFLSA-N 1 2 382.917 2.197 50 0 GEAALO Cc1cc(C)n(CC[NH+]2CCN(C(=O)c3ccc(Br)o3)CC2)n1 ZINC000062022061 531856759 /nfs/dbraw/zinc/85/67/59/531856759.db2.gz OLNCMNXLSVXUIO-UHFFFAOYSA-N 1 2 381.274 2.313 50 0 GEAALO COc1cccc(N2C(=O)C[C@H]([N@@H+]3CCc4cc(OC)c(OC)cc4C3)C2=O)c1 ZINC000022609155 209237338 /nfs/dbraw/zinc/23/73/38/209237338.db2.gz FMTHVZIRZAICHA-SFHVURJKSA-N 1 2 396.443 2.403 50 0 GEAALO COc1cccc(N2C(=O)C[C@H]([N@H+]3CCc4cc(OC)c(OC)cc4C3)C2=O)c1 ZINC000022609155 209237342 /nfs/dbraw/zinc/23/73/42/209237342.db2.gz FMTHVZIRZAICHA-SFHVURJKSA-N 1 2 396.443 2.403 50 0 GEAALO CC(C)S(=O)(=O)c1ccc(CC(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000239612035 209215324 /nfs/dbraw/zinc/21/53/24/209215324.db2.gz FHYUMLIKHQELMA-SFHVURJKSA-N 1 2 388.489 2.486 50 0 GEAALO CCCOc1ccccc1C(=O)N[C@@H]1CC[N@H+](Cc2cscn2)C[C@H]1O ZINC000299787376 212037573 /nfs/dbraw/zinc/03/75/73/212037573.db2.gz WHRCDTVVQGBENL-IAGOWNOFSA-N 1 2 375.494 2.297 50 0 GEAALO CCCOc1ccccc1C(=O)N[C@@H]1CC[N@@H+](Cc2cscn2)C[C@H]1O ZINC000299787376 212037578 /nfs/dbraw/zinc/03/75/78/212037578.db2.gz WHRCDTVVQGBENL-IAGOWNOFSA-N 1 2 375.494 2.297 50 0 GEAALO CS(=O)(=O)Nc1cccc(NC(=O)N2CCC[C@@H](Cn3cc[nH+]c3)C2)c1 ZINC000299767810 212032782 /nfs/dbraw/zinc/03/27/82/212032782.db2.gz VASYTKNSTSCOTK-AWEZNQCLSA-N 1 2 377.470 2.199 50 0 GEAALO Cc1cc(=O)[nH]c(SCC(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)n1 ZINC000097410681 211969923 /nfs/dbraw/zinc/96/99/23/211969923.db2.gz COSULHHJMDBABU-YVMONPNESA-N 1 2 384.505 2.028 50 0 GEAALO CC(C)[C@H](C)NS(=O)(=O)c1cccc(S(=O)(=O)Nc2cc[nH+]cc2)c1 ZINC000097165293 211359679 /nfs/dbraw/zinc/35/96/79/211359679.db2.gz WTWKZFAUUYESDL-ZDUSSCGKSA-N 1 2 383.495 2.205 50 0 GEAALO CCCCN(C)S(=O)(=O)c1cccc(S(=O)(=O)Nc2cc[nH+]cc2)c1 ZINC000097102035 211356217 /nfs/dbraw/zinc/35/62/17/211356217.db2.gz MJVPPKVQXNTUAI-UHFFFAOYSA-N 1 2 383.495 2.303 50 0 GEAALO CC[NH+]1CCN(S(=O)(=O)c2c(C)[nH]c(C)c2-c2nnc(C3CCC3)o2)CC1 ZINC000096379715 211337463 /nfs/dbraw/zinc/33/74/63/211337463.db2.gz ZHBSXSGJIMTKAY-UHFFFAOYSA-N 1 2 393.513 2.275 50 0 GEAALO CCn1c(Cn2cc[nH+]c2)nnc1C1CCN(C(=O)c2cccc(C)n2)CC1 ZINC000096166095 211315600 /nfs/dbraw/zinc/31/56/00/211315600.db2.gz RPBZYSMONDPKFE-UHFFFAOYSA-N 1 2 379.468 2.266 50 0 GEAALO CCn1c(C[NH+]2CCCC2)nnc1C1CCN(C(=O)Cc2cccnc2)CC1 ZINC000096138003 211307048 /nfs/dbraw/zinc/30/70/48/211307048.db2.gz FTXIPSXRDALTIP-UHFFFAOYSA-N 1 2 382.512 2.238 50 0 GEAALO CCn1c(C[NH+](C)C)nnc1C1CCN(C(=O)c2cncc(Cl)c2)CC1 ZINC000096140152 211305615 /nfs/dbraw/zinc/30/56/15/211305615.db2.gz HJTSXLZCUJOTMD-UHFFFAOYSA-N 1 2 376.892 2.428 50 0 GEAALO O=C(c1ccc2c(c1)NC(=O)CCS2)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000095957446 211288033 /nfs/dbraw/zinc/28/80/33/211288033.db2.gz AWCJGAAPZBYUGH-INIZCTEOSA-N 1 2 389.521 2.448 50 0 GEAALO Cc1ccc(C)c(NC(=O)[C@@H](C)N2CC[NH+](CC(=O)N3CCCCC3)CC2)c1 ZINC000095946689 211285832 /nfs/dbraw/zinc/28/58/32/211285832.db2.gz SQNONQHHWBBOLD-LJQANCHMSA-N 1 2 386.540 2.261 50 0 GEAALO CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)Cn1ncc2ccccc2c1=O ZINC000095518931 211264185 /nfs/dbraw/zinc/26/41/85/211264185.db2.gz VSYYSHNERKCNLU-UHFFFAOYSA-N 1 2 387.443 2.300 50 0 GEAALO Cc1ccc(C(=O)N2CCC[C@H](c3[nH+]ccn3Cc3ccncc3)C2)c(=O)[nH]1 ZINC000095522977 211269501 /nfs/dbraw/zinc/26/95/01/211269501.db2.gz GZZPQDWLTILOJQ-KRWDZBQOSA-N 1 2 377.448 2.343 50 0 GEAALO COc1cc(C[NH+]2Cc3ccccc3C2)ccc1OC[C@H](O)CN1CCOCC1 ZINC000095517334 211264794 /nfs/dbraw/zinc/26/47/94/211264794.db2.gz HIFXLQSBIIOKIX-OAQYLSRUSA-N 1 2 398.503 2.283 50 0 GEAALO Cc1nnc(CCC(=O)N2CCC[C@H](c3[nH+]ccn3Cc3ccncc3)C2)[nH]1 ZINC000095511509 211262976 /nfs/dbraw/zinc/26/29/76/211262976.db2.gz LOXAELZRKWSZBT-KRWDZBQOSA-N 1 2 379.468 2.092 50 0 GEAALO O=C(CCCn1cncn1)N1CCC(c2[nH+]ccn2Cc2ccncc2)CC1 ZINC000095512112 211262815 /nfs/dbraw/zinc/26/28/15/211262815.db2.gz IYGPZYDRNGTXTF-UHFFFAOYSA-N 1 2 379.468 2.104 50 0 GEAALO CCn1cc[nH+]c1C1CCN(C(=O)Cn2nc(C)c3ccccc3c2=O)CC1 ZINC000095509749 211260917 /nfs/dbraw/zinc/26/09/17/211260917.db2.gz TVPQBVASWVGKMX-UHFFFAOYSA-N 1 2 379.464 2.328 50 0 GEAALO O=C(Cc1ccsc1)N1CCC[C@@]2(CCC(=O)N(CCc3c[nH+]c[nH]3)C2)C1 ZINC000095506464 211257117 /nfs/dbraw/zinc/25/71/17/211257117.db2.gz VONPMADSYVLXBC-HXUWFJFHSA-N 1 2 386.521 2.488 50 0 GEAALO O=C(Cc1ccsc1)N1CCC[C@@]2(CCC(=O)N(CCc3c[nH]c[nH+]3)C2)C1 ZINC000095506464 211257120 /nfs/dbraw/zinc/25/71/20/211257120.db2.gz VONPMADSYVLXBC-HXUWFJFHSA-N 1 2 386.521 2.488 50 0 GEAALO NC(=O)Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2c(O)ccc3ccccc32)C1 ZINC000095506288 211257014 /nfs/dbraw/zinc/25/70/14/211257014.db2.gz UTGMCTPMSKKYLZ-HNNXBMFYSA-N 1 2 378.432 2.247 50 0 GEAALO COc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@H+](Cc3nccs3)C2)cc1 ZINC000095500428 211253580 /nfs/dbraw/zinc/25/35/80/211253580.db2.gz NATABWVHLQYWBA-AWEZNQCLSA-N 1 2 381.523 2.342 50 0 GEAALO COc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+](Cc3nccs3)C2)cc1 ZINC000095500428 211253582 /nfs/dbraw/zinc/25/35/82/211253582.db2.gz NATABWVHLQYWBA-AWEZNQCLSA-N 1 2 381.523 2.342 50 0 GEAALO CCC(=O)N1CCc2[nH]c[nH+]c2C12CCN(C(=O)c1cccc(C)c1O)CC2 ZINC000095499357 211253495 /nfs/dbraw/zinc/25/34/95/211253495.db2.gz LACCAXCXVAXHIU-UHFFFAOYSA-N 1 2 382.464 2.350 50 0 GEAALO NC(=O)Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2c[nH]nc2C2CCCCC2)C1 ZINC000095500138 211252712 /nfs/dbraw/zinc/25/27/12/211252712.db2.gz MEDGJFYMISAIKM-HNNXBMFYSA-N 1 2 384.484 2.159 50 0 GEAALO Cc1cc(C)n(-c2ccc(NC(=O)[C@@H]3CCCC[N@H+]3CC(=O)N(C)C)cc2)n1 ZINC000095500076 211252734 /nfs/dbraw/zinc/25/27/34/211252734.db2.gz GXGLVMQVJSMEAH-IBGZPJMESA-N 1 2 383.496 2.370 50 0 GEAALO Cc1cc(C)n(-c2ccc(NC(=O)[C@@H]3CCCC[N@@H+]3CC(=O)N(C)C)cc2)n1 ZINC000095500076 211252736 /nfs/dbraw/zinc/25/27/36/211252736.db2.gz GXGLVMQVJSMEAH-IBGZPJMESA-N 1 2 383.496 2.370 50 0 GEAALO CCCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2Cn2cc[nH+]c2)cc1 ZINC000095402429 211239342 /nfs/dbraw/zinc/23/93/42/211239342.db2.gz CARUEFZBKMMVLW-INIZCTEOSA-N 1 2 377.466 2.303 50 0 GEAALO COc1cccc([C@H]2CCCN2C(=O)COC(=O)C[N@H+](C)[C@@H]2CCSC2)c1 ZINC000095452637 211243261 /nfs/dbraw/zinc/24/32/61/211243261.db2.gz BSJIIIBNFAAYMS-SJLPKXTDSA-N 1 2 392.521 2.339 50 0 GEAALO COc1cccc([C@H]2CCCN2C(=O)COC(=O)C[N@@H+](C)[C@@H]2CCSC2)c1 ZINC000095452637 211243267 /nfs/dbraw/zinc/24/32/67/211243267.db2.gz BSJIIIBNFAAYMS-SJLPKXTDSA-N 1 2 392.521 2.339 50 0 GEAALO CC(C)C[C@@H](CNS(=O)(=O)c1c(Cl)ccnc1Cl)[NH+]1CCOCC1 ZINC000095452574 211242336 /nfs/dbraw/zinc/24/23/36/211242336.db2.gz CAEQXWWIYISKGC-LBPRGKRZSA-N 1 2 396.340 2.414 50 0 GEAALO O=C(CN1CC[NH+](CC(=O)N2CCCC2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000095357368 211224415 /nfs/dbraw/zinc/22/44/15/211224415.db2.gz HJDBRENIXKVGCH-UHFFFAOYSA-N 1 2 399.322 2.172 50 0 GEAALO CN(C)S(=O)(=O)N1C[C@@H]2CC[C@H](C1)[N@H+](Cc1c(Cl)cncc1Cl)C2 ZINC000095357481 211223380 /nfs/dbraw/zinc/22/33/80/211223380.db2.gz ZZAHRUVPEOCAIB-VXGBXAGGSA-N 1 2 393.340 2.091 50 0 GEAALO CN(C)S(=O)(=O)N1C[C@@H]2CC[C@H](C1)[N@@H+](Cc1c(Cl)cncc1Cl)C2 ZINC000095357481 211223383 /nfs/dbraw/zinc/22/33/83/211223383.db2.gz ZZAHRUVPEOCAIB-VXGBXAGGSA-N 1 2 393.340 2.091 50 0 GEAALO COc1ccc(C(=O)N2CCC[C@H](c3nnc(Cn4cc[nH+]c4)n3C)C2)cc1 ZINC000095359127 211222989 /nfs/dbraw/zinc/22/29/89/211222989.db2.gz NGXMPIPCYCVMJM-INIZCTEOSA-N 1 2 380.452 2.088 50 0 GEAALO Cn1c(Cn2cc[nH+]c2)nnc1[C@@H]1CCCN(C(=O)c2c(F)cccc2F)C1 ZINC000095380435 211233060 /nfs/dbraw/zinc/23/30/60/211233060.db2.gz KSQRMTSSJCMVSA-CYBMUJFWSA-N 1 2 386.406 2.358 50 0 GEAALO Cn1ccnc1[C@@H](O)C1CCN(C(=O)Cn2cc[nH+]c2-c2ccccc2)CC1 ZINC000095376801 211229301 /nfs/dbraw/zinc/22/93/01/211229301.db2.gz PSNALPISNKLHJD-IBGZPJMESA-N 1 2 379.464 2.256 50 0 GEAALO CN1C(=O)C[C@H](C(=O)[O-])C12CC[NH+](C1CC[NH+](Cc3ccccc3)CC1)CC2 ZINC000095371126 211226806 /nfs/dbraw/zinc/22/68/06/211226806.db2.gz OAHBGGVKHPSZSH-LJQANCHMSA-N 1 2 385.508 2.049 50 0 GEAALO O=C(c1ccc(O)cc1)N1CCC2(CC1)c1[nH+]c[nH]c1CCN2C(=O)C1CCC1 ZINC000091943092 211210111 /nfs/dbraw/zinc/21/01/11/211210111.db2.gz GZPLAOAWZNGIEO-UHFFFAOYSA-N 1 2 394.475 2.432 50 0 GEAALO CS(=O)(=O)c1ccc(C[N@@H+]2C[C@H]3CC[C@@H]2CN(C(=O)C2CCC2)C3)cc1 ZINC000095355582 211221483 /nfs/dbraw/zinc/22/14/83/211221483.db2.gz YZCLDFISMOBBIN-SJLPKXTDSA-N 1 2 376.522 2.313 50 0 GEAALO CS(=O)(=O)c1ccc(C[N@H+]2C[C@H]3CC[C@@H]2CN(C(=O)C2CCC2)C3)cc1 ZINC000095355582 211221487 /nfs/dbraw/zinc/22/14/87/211221487.db2.gz YZCLDFISMOBBIN-SJLPKXTDSA-N 1 2 376.522 2.313 50 0 GEAALO O=c1oc2c(cc(Cl)c3c2CN(CC[NH+]2CCOCC2)CO3)c2c1CCC2 ZINC000095190953 211220442 /nfs/dbraw/zinc/22/04/42/211220442.db2.gz AAXQXQZYGLLHGK-UHFFFAOYSA-N 1 2 390.867 2.419 50 0 GEAALO C[C@@H](C(=O)N1CCC2(CCC(=O)N(Cc3ccccn3)C2)CC1)n1cc[nH+]c1 ZINC000091973745 211212668 /nfs/dbraw/zinc/21/26/68/211212668.db2.gz FPGAESLJXSEYME-KRWDZBQOSA-N 1 2 381.480 2.271 50 0 GEAALO Cn1cc[nH+]c1C1CCN(S(=O)(=O)c2c(Cl)nc3sccn32)CC1 ZINC000091713275 211204205 /nfs/dbraw/zinc/20/42/05/211204205.db2.gz XEGBZFQZBIRNCL-UHFFFAOYSA-N 1 2 385.902 2.351 50 0 GEAALO Cc1ccc2[nH]c(CCNC(=O)Cn3cnc4ccccc4c3=O)[nH+]c2c1C ZINC000091679876 211203655 /nfs/dbraw/zinc/20/36/55/211203655.db2.gz UCBSGJDRTCMWTE-UHFFFAOYSA-N 1 2 375.432 2.249 50 0 GEAALO Cc1cccc(C(=O)N2CCC[C@@]3(CCC(=O)N(CCc4c[nH+]c[nH]4)C3)C2)n1 ZINC000091665259 211200986 /nfs/dbraw/zinc/20/09/86/211200986.db2.gz AUJLKHCFVMHPAO-NRFANRHFSA-N 1 2 381.480 2.201 50 0 GEAALO Cc1cccc(C(=O)N2CCC[C@@]3(CCC(=O)N(CCc4c[nH]c[nH+]4)C3)C2)n1 ZINC000091665259 211200988 /nfs/dbraw/zinc/20/09/88/211200988.db2.gz AUJLKHCFVMHPAO-NRFANRHFSA-N 1 2 381.480 2.201 50 0 GEAALO Cc1cnc(CN2C[C@@]3(CCC[N@H+](Cc4nnc(C5CC5)o4)C3)CCC2=O)cn1 ZINC000091603769 211198474 /nfs/dbraw/zinc/19/84/74/211198474.db2.gz XLZUHQTUNRAGDC-NRFANRHFSA-N 1 2 396.495 2.450 50 0 GEAALO Cc1cnc(CN2C[C@@]3(CCC[N@@H+](Cc4nnc(C5CC5)o4)C3)CCC2=O)cn1 ZINC000091603769 211198477 /nfs/dbraw/zinc/19/84/77/211198477.db2.gz XLZUHQTUNRAGDC-NRFANRHFSA-N 1 2 396.495 2.450 50 0 GEAALO Cc1ccc2[nH]c(C[N@@H+]3CCc4c(=O)[nH]c(CC5CC5)nc4C3)cc(=O)c2c1 ZINC000091492945 211195096 /nfs/dbraw/zinc/19/50/96/211195096.db2.gz STNPIRVPEYLTHV-UHFFFAOYSA-N 1 2 376.460 2.431 50 0 GEAALO Cc1ccc2[nH]c(C[N@H+]3CCc4c(=O)[nH]c(CC5CC5)nc4C3)cc(=O)c2c1 ZINC000091492945 211195100 /nfs/dbraw/zinc/19/51/00/211195100.db2.gz STNPIRVPEYLTHV-UHFFFAOYSA-N 1 2 376.460 2.431 50 0 GEAALO CCNC(=O)[C@@H]1C[C@H](NC(=O)Cc2ccsc2)C[N@@H+]1Cc1ccsc1 ZINC000091574385 211196132 /nfs/dbraw/zinc/19/61/32/211196132.db2.gz RYKUJDBATOKCSZ-HOTGVXAUSA-N 1 2 377.535 2.248 50 0 GEAALO CCNC(=O)[C@@H]1C[C@H](NC(=O)Cc2ccsc2)C[N@H+]1Cc1ccsc1 ZINC000091574385 211196136 /nfs/dbraw/zinc/19/61/36/211196136.db2.gz RYKUJDBATOKCSZ-HOTGVXAUSA-N 1 2 377.535 2.248 50 0 GEAALO O=C(Cc1ccc(O)cc1)N1CCC2(CCC(=O)N(CCc3c[nH+]c[nH]3)C2)CC1 ZINC000091756400 211206056 /nfs/dbraw/zinc/20/60/56/211206056.db2.gz AMTDNOFVNDXCTA-UHFFFAOYSA-N 1 2 396.491 2.132 50 0 GEAALO O=C(Cc1ccc(O)cc1)N1CCC2(CCC(=O)N(CCc3c[nH]c[nH+]3)C2)CC1 ZINC000091756400 211206060 /nfs/dbraw/zinc/20/60/60/211206060.db2.gz AMTDNOFVNDXCTA-UHFFFAOYSA-N 1 2 396.491 2.132 50 0 GEAALO CCCSCC(=O)N1CCC2(CCC(=O)N(CCc3c[nH+]c[nH]3)C2)CC1 ZINC000091737028 211205398 /nfs/dbraw/zinc/20/53/98/211205398.db2.gz CKMHQFRUNKDMGU-UHFFFAOYSA-N 1 2 378.542 2.327 50 0 GEAALO CCCSCC(=O)N1CCC2(CCC(=O)N(CCc3c[nH]c[nH+]3)C2)CC1 ZINC000091737028 211205402 /nfs/dbraw/zinc/20/54/02/211205402.db2.gz CKMHQFRUNKDMGU-UHFFFAOYSA-N 1 2 378.542 2.327 50 0 GEAALO O=C(Cn1nnc2ccccc2c1=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000089866530 211186123 /nfs/dbraw/zinc/18/61/23/211186123.db2.gz DXLBLJIJFMNRLY-UHFFFAOYSA-N 1 2 398.426 2.345 50 0 GEAALO Cc1cc(C)c(C(=O)N2CCC(c3nnc(Cn4cc[nH+]c4)n3C)CC2)cn1 ZINC000091475822 211194340 /nfs/dbraw/zinc/19/43/40/211194340.db2.gz CHBJCOGVQMNXOB-UHFFFAOYSA-N 1 2 379.468 2.092 50 0 GEAALO Cc1cc(C(=O)N2CCC(N3CCn4cc[nH+]c4C3)CC2)nn1-c1ccccc1 ZINC000089600894 211182233 /nfs/dbraw/zinc/18/22/33/211182233.db2.gz YVQZHCKAUKPGJI-UHFFFAOYSA-N 1 2 390.491 2.498 50 0 GEAALO Cc1cc(C(=O)N2CCC([N@@H+]3CCn4ccnc4C3)CC2)nn1-c1ccccc1 ZINC000089600894 211182236 /nfs/dbraw/zinc/18/22/36/211182236.db2.gz YVQZHCKAUKPGJI-UHFFFAOYSA-N 1 2 390.491 2.498 50 0 GEAALO Cc1cc(C(=O)N2CCC([N@H+]3CCn4ccnc4C3)CC2)nn1-c1ccccc1 ZINC000089600894 211182241 /nfs/dbraw/zinc/18/22/41/211182241.db2.gz YVQZHCKAUKPGJI-UHFFFAOYSA-N 1 2 390.491 2.498 50 0 GEAALO CCOc1ccc(C[N@@H+]2CCN(C(=O)c3ccc(O)cc3)C[C@H]2CCO)cc1 ZINC000072418709 211116534 /nfs/dbraw/zinc/11/65/34/211116534.db2.gz QNQCDSIZEKPYKT-LJQANCHMSA-N 1 2 384.476 2.500 50 0 GEAALO CCOc1ccc(C[N@H+]2CCN(C(=O)c3ccc(O)cc3)C[C@H]2CCO)cc1 ZINC000072418709 211116536 /nfs/dbraw/zinc/11/65/36/211116536.db2.gz QNQCDSIZEKPYKT-LJQANCHMSA-N 1 2 384.476 2.500 50 0 GEAALO Cc1ccc(Cl)c(CN2CC[N@H+](CC3CC3)[C@@H]3CS(=O)(=O)C[C@@H]32)c1F ZINC000072476076 211123629 /nfs/dbraw/zinc/12/36/29/211123629.db2.gz YDFJYHLSCYMORR-SJORKVTESA-N 1 2 386.920 2.481 50 0 GEAALO Cc1ccc(Cl)c(CN2CC[N@@H+](CC3CC3)[C@@H]3CS(=O)(=O)C[C@@H]32)c1F ZINC000072476076 211123633 /nfs/dbraw/zinc/12/36/33/211123633.db2.gz YDFJYHLSCYMORR-SJORKVTESA-N 1 2 386.920 2.481 50 0 GEAALO Cc1cc(CNC(=O)c2ccc3c(c2)CN(CCCn2cc[nH+]c2)C3=O)no1 ZINC000072474202 211121525 /nfs/dbraw/zinc/12/15/25/211121525.db2.gz FFBIRSFBBAJUBJ-UHFFFAOYSA-N 1 2 379.420 2.156 50 0 GEAALO Cc1n[nH]c(CCC(=O)N2C[C@@H](c3ccc(C)cc3)[C@@H]3[C@H]2C2CC[NH+]3CC2)n1 ZINC000072161627 211078255 /nfs/dbraw/zinc/07/82/55/211078255.db2.gz AIVLWNYGROIHRF-VLCRHTCISA-N 1 2 379.508 2.443 50 0 GEAALO CN1c2ccccc2C2(CC[NH+](CCS(=O)(=O)c3ccccc3)CC2)C1=O ZINC000072142109 211074313 /nfs/dbraw/zinc/07/43/13/211074313.db2.gz GHVKXIGNHFEWMJ-UHFFFAOYSA-N 1 2 384.501 2.471 50 0 GEAALO O=C(NCCNc1cc(N2CCOCC2)nc[nH+]1)c1ccc(C(F)(F)F)cc1 ZINC000072115601 211069571 /nfs/dbraw/zinc/06/95/71/211069571.db2.gz FGDREOMBFRZMPI-UHFFFAOYSA-N 1 2 395.385 2.174 50 0 GEAALO O=C(NCCNc1cc(N2CCOCC2)[nH+]cn1)c1ccc(C(F)(F)F)cc1 ZINC000072115601 211069575 /nfs/dbraw/zinc/06/95/75/211069575.db2.gz FGDREOMBFRZMPI-UHFFFAOYSA-N 1 2 395.385 2.174 50 0 GEAALO CC(C)Cc1[nH+]c2ccccc2n1[C@@H](C)C(=O)N1CCc2c(nc[nH]c2=O)C1 ZINC000071776976 211062527 /nfs/dbraw/zinc/06/25/27/211062527.db2.gz AXLQFCKCEXMMIG-AWEZNQCLSA-N 1 2 379.464 2.464 50 0 GEAALO CCCS(=O)(=O)[C@@H](C)C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000071792376 211061965 /nfs/dbraw/zinc/06/19/65/211061965.db2.gz VMYQXPPHSYYWCR-SFHVURJKSA-N 1 2 380.554 2.367 50 0 GEAALO CCCS(=O)(=O)[C@@H](C)C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000071792376 211061968 /nfs/dbraw/zinc/06/19/68/211061968.db2.gz VMYQXPPHSYYWCR-SFHVURJKSA-N 1 2 380.554 2.367 50 0 GEAALO CN(CCc1ccccc1)C(=O)c1nc2sccn2c1C[N@@H+]1CC[C@@H](O)C1 ZINC000071479653 211049411 /nfs/dbraw/zinc/04/94/11/211049411.db2.gz QZWTWXNHRXZVOI-MRXNPFEDSA-N 1 2 384.505 2.277 50 0 GEAALO CN(CCc1ccccc1)C(=O)c1nc2sccn2c1C[N@H+]1CC[C@@H](O)C1 ZINC000071479653 211049415 /nfs/dbraw/zinc/04/94/15/211049415.db2.gz QZWTWXNHRXZVOI-MRXNPFEDSA-N 1 2 384.505 2.277 50 0 GEAALO Cc1cccnc1-n1cc(C2=CC[N@H+](CC(=O)Nc3cnn(C)c3)CC2)cn1 ZINC000067818004 211023666 /nfs/dbraw/zinc/02/36/66/211023666.db2.gz JVVJGZAIXSXJRV-UHFFFAOYSA-N 1 2 377.452 2.037 50 0 GEAALO Cc1cccnc1-n1cc(C2=CC[N@@H+](CC(=O)Nc3cnn(C)c3)CC2)cn1 ZINC000067818004 211023669 /nfs/dbraw/zinc/02/36/69/211023669.db2.gz JVVJGZAIXSXJRV-UHFFFAOYSA-N 1 2 377.452 2.037 50 0 GEAALO O=C(C[N@@H+]1CCc2[nH]nc(-c3ccc(F)c(F)c3)c2C1)NCc1ccccn1 ZINC000067851137 211025462 /nfs/dbraw/zinc/02/54/62/211025462.db2.gz VYVNFXLWDQXISY-UHFFFAOYSA-N 1 2 383.402 2.424 50 0 GEAALO O=C(C[N@H+]1CCc2[nH]nc(-c3ccc(F)c(F)c3)c2C1)NCc1ccccn1 ZINC000067851137 211025465 /nfs/dbraw/zinc/02/54/65/211025465.db2.gz VYVNFXLWDQXISY-UHFFFAOYSA-N 1 2 383.402 2.424 50 0 GEAALO CCc1ccc(Nc2n[nH]nc2C(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000067284237 211006784 /nfs/dbraw/zinc/00/67/84/211006784.db2.gz KTWZJNIYXQZPMF-UHFFFAOYSA-N 1 2 377.452 2.468 50 0 GEAALO CCc1ccc(Nc2nn[nH]c2C(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000067284237 211006790 /nfs/dbraw/zinc/00/67/90/211006790.db2.gz KTWZJNIYXQZPMF-UHFFFAOYSA-N 1 2 377.452 2.468 50 0 GEAALO Cc1nc(NCCNS(=O)(=O)c2cc(F)ccc2F)cc(N2CCCC2)[nH+]1 ZINC000067603383 211012294 /nfs/dbraw/zinc/01/22/94/211012294.db2.gz HCDGUDOFWJWYGC-UHFFFAOYSA-N 1 2 397.451 2.054 50 0 GEAALO O=C(NCCCn1cc[nH+]c1)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 ZINC000040050411 210767132 /nfs/dbraw/zinc/76/71/32/210767132.db2.gz XBZPYEHMSQIXLF-CYBMUJFWSA-N 1 2 391.269 2.205 50 0 GEAALO Cc1cc(=O)n2nc(CN3CCN(c4cc(C)[nH+]c(C(C)C)n4)CC3)sc2n1 ZINC000021672499 210388762 /nfs/dbraw/zinc/38/87/62/210388762.db2.gz BVSOTZPWPNXWJT-UHFFFAOYSA-N 1 2 399.524 2.003 50 0 GEAALO O=C(CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1)NCCCc1ccccc1 ZINC000021847493 210396079 /nfs/dbraw/zinc/39/60/79/210396079.db2.gz QBQGRCVKVSFVCU-UHFFFAOYSA-N 1 2 395.503 2.282 50 0 GEAALO CCn1ncc(C[N@@H+]2C[C@H]3OC(=O)N(CCc4ccc(OC)cc4)[C@H]3C2)c1C ZINC000020777745 210361870 /nfs/dbraw/zinc/36/18/70/210361870.db2.gz IJAKMJDVGDTZJH-VQTJNVASSA-N 1 2 384.480 2.468 50 0 GEAALO CCn1ncc(C[N@H+]2C[C@H]3OC(=O)N(CCc4ccc(OC)cc4)[C@H]3C2)c1C ZINC000020777745 210361874 /nfs/dbraw/zinc/36/18/74/210361874.db2.gz IJAKMJDVGDTZJH-VQTJNVASSA-N 1 2 384.480 2.468 50 0 GEAALO O=c1[nH]c(=O)n(-c2ccc(F)cc2)c2c1C[N@@H+](CCCc1ccccc1)CN2 ZINC000020522052 210344233 /nfs/dbraw/zinc/34/42/33/210344233.db2.gz KFSQMAVMNXBALF-UHFFFAOYSA-N 1 2 380.423 2.483 50 0 GEAALO O=c1[nH]c(=O)n(-c2ccc(F)cc2)c2c1C[N@H+](CCCc1ccccc1)CN2 ZINC000020522052 210344238 /nfs/dbraw/zinc/34/42/38/210344238.db2.gz KFSQMAVMNXBALF-UHFFFAOYSA-N 1 2 380.423 2.483 50 0 GEAALO O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000020453434 210336321 /nfs/dbraw/zinc/33/63/21/210336321.db2.gz WKGZIWZVLZWPSQ-CQSZACIVSA-N 1 2 378.416 2.191 50 0 GEAALO C[N@@H+]1CCc2c(sc3nc(SCC(=O)N4CCCCC4)nc(N)c32)C1 ZINC000020358381 210329888 /nfs/dbraw/zinc/32/98/88/210329888.db2.gz OYFOJPULFWYEPE-UHFFFAOYSA-N 1 2 377.539 2.366 50 0 GEAALO C[N@H+]1CCc2c(sc3nc(SCC(=O)N4CCCCC4)nc(N)c32)C1 ZINC000020358381 210329895 /nfs/dbraw/zinc/32/98/95/210329895.db2.gz OYFOJPULFWYEPE-UHFFFAOYSA-N 1 2 377.539 2.366 50 0 GEAALO C[C@@H](CNC(=O)c1ccc2c(c1)OCO2)Oc1cccc(C[NH+]2CCOCC2)c1 ZINC000020455210 210334886 /nfs/dbraw/zinc/33/48/86/210334886.db2.gz CIZSFWXDHOACFK-INIZCTEOSA-N 1 2 398.459 2.445 50 0 GEAALO COCCn1c(C[N@H+](C)CCc2ccccc2)cnc1S(=O)(=O)CC1CC1 ZINC000019939739 210310587 /nfs/dbraw/zinc/31/05/87/210310587.db2.gz QZSIXFAKHHMKQV-UHFFFAOYSA-N 1 2 391.537 2.388 50 0 GEAALO COCCn1c(C[N@@H+](C)CCc2ccccc2)cnc1S(=O)(=O)CC1CC1 ZINC000019939739 210310590 /nfs/dbraw/zinc/31/05/90/210310590.db2.gz QZSIXFAKHHMKQV-UHFFFAOYSA-N 1 2 391.537 2.388 50 0 GEAALO CCOC(=O)[C@H]([NH3+])CS[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O ZINC000019939871 210309832 /nfs/dbraw/zinc/30/98/32/210309832.db2.gz JPLJLTKJJCDXKY-VXGBXAGGSA-N 1 2 391.276 2.249 50 0 GEAALO O=C1C[C@@H](/C=C/c2ccccc2)Cc2nc(N3CC[NH+](CCO)CC3)ncc21 ZINC000020064270 210313937 /nfs/dbraw/zinc/31/39/37/210313937.db2.gz JQUQTCVBILIRCA-DKFQHHCZSA-N 1 2 378.476 2.049 50 0 GEAALO CC[NH+]1CCN(CC(=O)N2CCC[C@H](C(=O)c3ccc(SC)cc3)C2)CC1 ZINC000019837178 210302508 /nfs/dbraw/zinc/30/25/08/210302508.db2.gz VGXYIGQXJYNARK-SFHVURJKSA-N 1 2 389.565 2.467 50 0 GEAALO O=C1C[C@@H](c2ccc(Cl)cc2)Cc2nc(N3CC[NH+](CCO)CC3)ncc21 ZINC000019921542 210307805 /nfs/dbraw/zinc/30/78/05/210307805.db2.gz KUAXMMSWTNUMJK-HNNXBMFYSA-N 1 2 386.883 2.157 50 0 GEAALO C[C@@H]1CCc2nc(NC(=O)CSC(=S)N3CC[NH+](C)CC3)sc2C1 ZINC000019808996 210297353 /nfs/dbraw/zinc/29/73/53/210297353.db2.gz CTKWBKPGLCGLMZ-LLVKDONJSA-N 1 2 384.596 2.472 50 0 GEAALO C[NH+]1CCN(C(=O)c2cnn(-c3ccccc3)c2NC(=O)c2ccco2)CC1 ZINC000019797586 210297386 /nfs/dbraw/zinc/29/73/86/210297386.db2.gz PLGMQGUVSLGNLN-UHFFFAOYSA-N 1 2 379.420 2.105 50 0 GEAALO Cn1ncc2c1ncnc2N1CC[NH+](Cc2csc(-c3ccccn3)n2)CC1 ZINC000058564021 136155485 /nfs/dbraw/zinc/15/54/85/136155485.db2.gz WOOVGQMDDAQAPU-UHFFFAOYSA-N 1 2 392.492 2.204 50 0 GEAALO Cc1cc(C)n(-c2cc[nH+]c(N3CCC(C(=O)NCc4ccco4)CC3)n2)n1 ZINC000065240362 136161059 /nfs/dbraw/zinc/16/10/59/136161059.db2.gz NSRRAEDVUZXLSB-UHFFFAOYSA-N 1 2 380.452 2.405 50 0 GEAALO Cc1ccc(N2CN(CC[NH+]3CCOCC3)Cn3c(=O)c(C)c(C)nc32)cc1C ZINC000095481390 136179543 /nfs/dbraw/zinc/17/95/43/136179543.db2.gz OCTGAZXMBKTGNW-UHFFFAOYSA-N 1 2 397.523 2.178 50 0 GEAALO CCn1cc[nH+]c1[C@@H]1CCCN(C(=O)CN2C(=O)COc3ccc(C)cc32)C1 ZINC000095521361 136181337 /nfs/dbraw/zinc/18/13/37/136181337.db2.gz WGRZQSSAIRJYKV-MRXNPFEDSA-N 1 2 382.464 2.343 50 0 GEAALO CCS(=O)(=O)NC[C@@H](c1cccnc1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000096901697 136187688 /nfs/dbraw/zinc/18/76/88/136187688.db2.gz WTIYVMQJWGIYGC-IBGZPJMESA-N 1 2 392.500 2.023 50 0 GEAALO COc1cc(OC)cc(N2C(=O)C[C@H]([NH+]3CCN(c4ccccc4)CC3)C2=O)c1 ZINC000101258955 136196382 /nfs/dbraw/zinc/19/63/82/136196382.db2.gz QTXZUZSBAUAEFL-FQEVSTJZSA-N 1 2 395.459 2.158 50 0 GEAALO CSCc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3csc(C)n3)C[C@H]2O)o1 ZINC000426534579 533843810 /nfs/dbraw/zinc/84/38/10/533843810.db2.gz YIQWUYRIDDBXOI-HUUCEWRRSA-N 1 2 381.523 2.273 50 0 GEAALO CSCc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3csc(C)n3)C[C@H]2O)o1 ZINC000426534579 533843825 /nfs/dbraw/zinc/84/38/25/533843825.db2.gz YIQWUYRIDDBXOI-HUUCEWRRSA-N 1 2 381.523 2.273 50 0 GEAALO Cn1cc[nH+]c1CNC(=O)Cn1nc(Cc2ccccc2)c2ccccc2c1=O ZINC000426386295 534787516 /nfs/dbraw/zinc/78/75/16/534787516.db2.gz KICCUQGLLNTVMD-UHFFFAOYSA-N 1 2 387.443 2.037 50 0 GEAALO O=C(CCc1nc2cc(Br)cnc2[nH]1)NCCCn1cc[nH+]c1 ZINC000079495597 526655542 /nfs/dbraw/zinc/65/55/42/526655542.db2.gz MGUMQXVQBGENRB-UHFFFAOYSA-N 1 2 377.246 2.056 50 0 GEAALO CCS(=O)(=O)NC[C@H](c1cccnc1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000096901698 535673196 /nfs/dbraw/zinc/67/31/96/535673196.db2.gz WTIYVMQJWGIYGC-LJQANCHMSA-N 1 2 392.500 2.023 50 0 GEAALO COc1ccccc1N1CC[NH+]([C@H]2CC(=O)N(c3ccc(C)cc3)C2=O)CC1 ZINC000101376526 537070417 /nfs/dbraw/zinc/07/04/17/537070417.db2.gz HRFLDVDPISRLBM-IBGZPJMESA-N 1 2 379.460 2.458 50 0 GEAALO COC(=O)c1ccc(S(=O)(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cc1 ZINC000048332584 570237398 /nfs/dbraw/zinc/23/73/98/570237398.db2.gz STLRCJWADIQDLT-MRXNPFEDSA-N 1 2 378.450 2.182 50 0 GEAALO CCS(=O)(=O)c1ncc(CN2CC[N@H+](C)[C@@H](C)C2)n1CCc1ccccc1 ZINC000020149361 570244244 /nfs/dbraw/zinc/24/42/44/570244244.db2.gz ZDRJQYMDEQGBLU-KRWDZBQOSA-N 1 2 390.553 2.055 50 0 GEAALO CCS(=O)(=O)c1ncc(CN2CC[N@@H+](C)[C@@H](C)C2)n1CCc1ccccc1 ZINC000020149361 570244246 /nfs/dbraw/zinc/24/42/46/570244246.db2.gz ZDRJQYMDEQGBLU-KRWDZBQOSA-N 1 2 390.553 2.055 50 0 GEAALO O=C(CNC(=O)N1CCN(c2cccc[nH+]2)CC1)Nc1ccc2cc[nH]c2c1 ZINC000049551379 570270135 /nfs/dbraw/zinc/27/01/35/570270135.db2.gz QQLWBDVTBHCOMM-UHFFFAOYSA-N 1 2 378.436 2.033 50 0 GEAALO CCc1cc(C[N@H+](C)Cc2cnc(NS(=O)(=O)c3ccccc3)nc2)on1 ZINC000215516528 570289221 /nfs/dbraw/zinc/28/92/21/570289221.db2.gz JQHSIDVJTWPGMY-UHFFFAOYSA-N 1 2 387.465 2.460 50 0 GEAALO CCc1cc(C[N@@H+](C)Cc2cnc(NS(=O)(=O)c3ccccc3)nc2)on1 ZINC000215516528 570289223 /nfs/dbraw/zinc/28/92/23/570289223.db2.gz JQHSIDVJTWPGMY-UHFFFAOYSA-N 1 2 387.465 2.460 50 0 GEAALO O=C(NCc1ccccc1)c1coc(CN2CC[NH+](Cc3ccncc3)CC2)n1 ZINC000034677963 570294523 /nfs/dbraw/zinc/29/45/23/570294523.db2.gz KWHWTZRMHMFGAG-UHFFFAOYSA-N 1 2 391.475 2.317 50 0 GEAALO COc1ccc(NC(=O)CN2CC[NH+](Cc3cc(C)no3)CC2)cc1Cl ZINC000022250986 570310533 /nfs/dbraw/zinc/31/05/33/570310533.db2.gz XGHLPLFMJGYBEK-UHFFFAOYSA-N 1 2 378.860 2.401 50 0 GEAALO O=C([C@@H](c1ccccc1)N1CC[NH+](Cc2cccs2)CC1)N1CCOCC1 ZINC000022788143 570327823 /nfs/dbraw/zinc/32/78/23/570327823.db2.gz JAPIWWXQEXJQCD-HXUWFJFHSA-N 1 2 385.533 2.466 50 0 GEAALO CCCCOc1ccc(-c2nnc(CCC(=O)N3CC[NH+](C)CC3)c(=O)[nH]2)cc1 ZINC000034763323 570333173 /nfs/dbraw/zinc/33/31/73/570333173.db2.gz CRDLWQUHUDCGPK-UHFFFAOYSA-N 1 2 399.495 2.130 50 0 GEAALO C[C@@H](C(=O)NCc1ccccc1)[NH+]1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000022913138 570334290 /nfs/dbraw/zinc/33/42/90/570334290.db2.gz REFKLYSWIGYBQL-KRWDZBQOSA-N 1 2 398.482 2.087 50 0 GEAALO C[C@H](C(=O)N1CCCCCC1)[NH+]1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000022915393 570334792 /nfs/dbraw/zinc/33/47/92/570334792.db2.gz DYVGFQRKRQUEHN-QGZVFWFLSA-N 1 2 390.503 2.173 50 0 GEAALO O=C(c1ccco1)N1CC[NH+](Cc2c[nH]nc2-c2ccc3c(c2)OCO3)CC1 ZINC000023338874 570355471 /nfs/dbraw/zinc/35/54/71/570355471.db2.gz GETLZEIBJMLTIL-UHFFFAOYSA-N 1 2 380.404 2.356 50 0 GEAALO OCCOc1ccc(CN2CC[N@H+](Cc3ccc(F)cc3)[C@@H](CCO)C2)cc1 ZINC000023360681 570356803 /nfs/dbraw/zinc/35/68/03/570356803.db2.gz OADSCJYSCHWDJN-NRFANRHFSA-N 1 2 388.483 2.266 50 0 GEAALO OCCOc1ccc(CN2CC[N@@H+](Cc3ccc(F)cc3)[C@@H](CCO)C2)cc1 ZINC000023360681 570356805 /nfs/dbraw/zinc/35/68/05/570356805.db2.gz OADSCJYSCHWDJN-NRFANRHFSA-N 1 2 388.483 2.266 50 0 GEAALO Cc1ccccc1NC(=O)C[NH+]1CCC(n2nc(C(F)(F)F)n(C)c2=O)CC1 ZINC000575616216 570357521 /nfs/dbraw/zinc/35/75/21/570357521.db2.gz XWTALYDRZZZRQL-UHFFFAOYSA-N 1 2 397.401 2.185 50 0 GEAALO COC(=O)C[C@H](c1ccc(O)cc1)c1c(O)cc(C)n(CCc2c[nH+]c[nH]2)c1=O ZINC000604405030 570361764 /nfs/dbraw/zinc/36/17/64/570361764.db2.gz UOFHTTHVPNIODV-QGZVFWFLSA-N 1 2 397.431 2.229 50 0 GEAALO COC(=O)C[C@H](c1ccc(O)cc1)c1c(O)cc(C)n(CCc2c[nH]c[nH+]2)c1=O ZINC000604405030 570361766 /nfs/dbraw/zinc/36/17/66/570361766.db2.gz UOFHTTHVPNIODV-QGZVFWFLSA-N 1 2 397.431 2.229 50 0 GEAALO Cc1cc(-c2nn(C)c(Cl)c2C[N@H+]2CCn3nc([C@@H](C)O)cc3C2)no1 ZINC000219635660 570372177 /nfs/dbraw/zinc/37/21/77/570372177.db2.gz FIISXTXMDLPYLA-LLVKDONJSA-N 1 2 376.848 2.303 50 0 GEAALO Cc1cc(-c2nn(C)c(Cl)c2C[N@@H+]2CCn3nc([C@@H](C)O)cc3C2)no1 ZINC000219635660 570372180 /nfs/dbraw/zinc/37/21/80/570372180.db2.gz FIISXTXMDLPYLA-LLVKDONJSA-N 1 2 376.848 2.303 50 0 GEAALO Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)Cc2cn3ccsc3n2)cc1 ZINC000023864640 570374076 /nfs/dbraw/zinc/37/40/76/570374076.db2.gz NUFAZGMFYOFSHJ-SFHVURJKSA-N 1 2 384.505 2.436 50 0 GEAALO O=C(c1ccc(-c2nnco2)cc1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000023865817 570374219 /nfs/dbraw/zinc/37/42/19/570374219.db2.gz ZPEQMHVZDWLFJW-UHFFFAOYSA-N 1 2 392.415 2.423 50 0 GEAALO O=C(c1cccc(CN2CCCC2=O)c1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000024148975 570379650 /nfs/dbraw/zinc/37/96/50/570379650.db2.gz NZRAWHSEYGKMHJ-UHFFFAOYSA-N 1 2 378.476 2.162 50 0 GEAALO O=C([C@@H]1CC(=O)N(C2CCCC2)C1)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000024136494 570379707 /nfs/dbraw/zinc/37/97/07/570379707.db2.gz PUNKIFWSLQYSKD-LJQANCHMSA-N 1 2 397.519 2.057 50 0 GEAALO O=C(COc1ccc(F)cc1F)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000024565701 570385516 /nfs/dbraw/zinc/38/55/16/570385516.db2.gz KIWUGAIXJNFEAP-UHFFFAOYSA-N 1 2 390.386 2.417 50 0 GEAALO CC(C)Cc1cc(C[N@@H+]2CCCn3nc([C@@H](O)c4ccnn4C)cc3C2)[nH]n1 ZINC000220501591 570387354 /nfs/dbraw/zinc/38/73/54/570387354.db2.gz HBHGYIUEMOAYQH-HXUWFJFHSA-N 1 2 383.500 2.026 50 0 GEAALO CC(C)Cc1cc(C[N@H+]2CCCn3nc([C@@H](O)c4ccnn4C)cc3C2)[nH]n1 ZINC000220501591 570387356 /nfs/dbraw/zinc/38/73/56/570387356.db2.gz HBHGYIUEMOAYQH-HXUWFJFHSA-N 1 2 383.500 2.026 50 0 GEAALO CC(C)Cc1cc(C[N@@H+]2CCCn3nc([C@@H](O)c4ccnn4C)cc3C2)n[nH]1 ZINC000220501591 570387360 /nfs/dbraw/zinc/38/73/60/570387360.db2.gz HBHGYIUEMOAYQH-HXUWFJFHSA-N 1 2 383.500 2.026 50 0 GEAALO CC(C)Cc1cc(C[N@H+]2CCCn3nc([C@@H](O)c4ccnn4C)cc3C2)n[nH]1 ZINC000220501591 570387362 /nfs/dbraw/zinc/38/73/62/570387362.db2.gz HBHGYIUEMOAYQH-HXUWFJFHSA-N 1 2 383.500 2.026 50 0 GEAALO CCOC(=O)N1CCC([N@@H+]2CCn3nc([C@@H](O)c4ccccc4)cc3C2)CC1 ZINC000221289596 570392728 /nfs/dbraw/zinc/39/27/28/570392728.db2.gz FJBRQPPUELDMJV-FQEVSTJZSA-N 1 2 384.480 2.401 50 0 GEAALO CCOC(=O)N1CCC([N@H+]2CCn3nc([C@@H](O)c4ccccc4)cc3C2)CC1 ZINC000221289596 570392731 /nfs/dbraw/zinc/39/27/31/570392731.db2.gz FJBRQPPUELDMJV-FQEVSTJZSA-N 1 2 384.480 2.401 50 0 GEAALO O=C1C[C@H]([NH+]2CCN(c3ccccn3)CC2)C(=O)N1Cc1ccc(Cl)cc1 ZINC000004723385 570397811 /nfs/dbraw/zinc/39/78/11/570397811.db2.gz XPYMOUVVEYUHLS-KRWDZBQOSA-N 1 2 384.867 2.185 50 0 GEAALO Cc1noc(C)c1S(=O)(=O)N1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000025328116 570410972 /nfs/dbraw/zinc/41/09/72/570410972.db2.gz WXOUJNLDGCPNPZ-UHFFFAOYSA-N 1 2 386.477 2.346 50 0 GEAALO O=C(CNC(=O)c1ccccc1Cl)N1CC[NH+](Cc2ccsc2)CC1 ZINC000025397304 570412836 /nfs/dbraw/zinc/41/28/36/570412836.db2.gz NDOPMKVYGAQMOA-UHFFFAOYSA-N 1 2 377.897 2.476 50 0 GEAALO COc1ccc([C@@H]2CC(=O)c3cnc(N4CC[NH+](C)CC4)nc3C2)c(OC)c1 ZINC000004988718 570422138 /nfs/dbraw/zinc/42/21/38/570422138.db2.gz MNZRHUFUIIYSOH-AWEZNQCLSA-N 1 2 382.464 2.158 50 0 GEAALO CCc1[nH+]c2ccccc2n1CCC(=O)N[C@@H](c1cnn(C)c1)C1CC(O)C1 ZINC000223220905 570450682 /nfs/dbraw/zinc/45/06/82/570450682.db2.gz ZOJPPCGEJFYOMT-UTKRZORCSA-N 1 2 381.480 2.351 50 0 GEAALO COc1cccc([C@H](NC(=O)CCNC(=O)c2ccco2)c2[nH+]ccn2C)c1 ZINC000029091331 570468136 /nfs/dbraw/zinc/46/81/36/570468136.db2.gz WSDVFSHFRSLQSH-SFHVURJKSA-N 1 2 382.420 2.047 50 0 GEAALO Cc1c(C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)sc2ncn(C)c(=O)c12 ZINC000030030071 570485113 /nfs/dbraw/zinc/48/51/13/570485113.db2.gz CUGDDUOETIXJJY-HNNXBMFYSA-N 1 2 382.489 2.432 50 0 GEAALO Cc1c(C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)sc2ncn(C)c(=O)c12 ZINC000030030071 570485115 /nfs/dbraw/zinc/48/51/15/570485115.db2.gz CUGDDUOETIXJJY-HNNXBMFYSA-N 1 2 382.489 2.432 50 0 GEAALO Cc1[nH]c2ccccc2c1C(=O)C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000030634508 570492890 /nfs/dbraw/zinc/49/28/90/570492890.db2.gz UIIBMFMHJAATPS-UHFFFAOYSA-N 1 2 378.432 2.207 50 0 GEAALO COc1cccc(NC(=O)CN2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)c1 ZINC000022805082 570549927 /nfs/dbraw/zinc/54/99/27/570549927.db2.gz XNIXKLSMDSDBEQ-UHFFFAOYSA-N 1 2 381.476 2.386 50 0 GEAALO Cn1ccnc1C(=O)[C@@H]1CCC[N@H+](Cc2nc(-c3ccc4c(c3)OCO4)no2)C1 ZINC000011662913 570577507 /nfs/dbraw/zinc/57/75/07/570577507.db2.gz PSIOPHQNJKZDOF-CQSZACIVSA-N 1 2 395.419 2.294 50 0 GEAALO Cn1ccnc1C(=O)[C@@H]1CCC[N@@H+](Cc2nc(-c3ccc4c(c3)OCO4)no2)C1 ZINC000011662913 570577509 /nfs/dbraw/zinc/57/75/09/570577509.db2.gz PSIOPHQNJKZDOF-CQSZACIVSA-N 1 2 395.419 2.294 50 0 GEAALO O=C(NCC[NH+]1CCOCC1)c1cc(-c2cccnc2)n(-c2ccc(F)cc2)n1 ZINC000064919433 570590570 /nfs/dbraw/zinc/59/05/70/570590570.db2.gz OZJDLNBOYISNMH-UHFFFAOYSA-N 1 2 395.438 2.135 50 0 GEAALO C[C@H]1CN(C(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)c2ccccc2O1 ZINC000006798224 570597803 /nfs/dbraw/zinc/59/78/03/570597803.db2.gz RISWRZUZQFBYBB-KRWDZBQOSA-N 1 2 394.475 2.325 50 0 GEAALO O=C(CS[C@H]1CCc2ccccc2NC1=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000012407229 570654439 /nfs/dbraw/zinc/65/44/39/570654439.db2.gz AUNJNCZVMZVMNZ-SFHVURJKSA-N 1 2 396.516 2.417 50 0 GEAALO O=C(Nc1cccc(Oc2cc[nH+]cc2)c1)C(=O)N[C@@H]1CCc2n[nH]cc2C1 ZINC000167527640 570660402 /nfs/dbraw/zinc/66/04/02/570660402.db2.gz ILSJMUUSXCUOJB-OAHLLOKOSA-N 1 2 377.404 2.209 50 0 GEAALO COC(=O)[C@]1(C)C[C@H](C(=O)NCC(C)(C)CO)[C@H](c2ccc(Cl)cc2)[N@@H+]1C ZINC000055060891 570681072 /nfs/dbraw/zinc/68/10/72/570681072.db2.gz IJKHFNNTPMEYJM-FTRWYGJKSA-N 1 2 396.915 2.399 50 0 GEAALO COC(=O)[C@]1(C)C[C@H](C(=O)NCC(C)(C)CO)[C@H](c2ccc(Cl)cc2)[N@H+]1C ZINC000055060891 570681077 /nfs/dbraw/zinc/68/10/77/570681077.db2.gz IJKHFNNTPMEYJM-FTRWYGJKSA-N 1 2 396.915 2.399 50 0 GEAALO Cc1cccc(-c2ncc(CN3CC[NH+](CC(=O)N4CCCC4)CC3)cn2)c1 ZINC000055270871 570689781 /nfs/dbraw/zinc/68/97/81/570689781.db2.gz JJUAWASVJJONRT-UHFFFAOYSA-N 1 2 379.508 2.192 50 0 GEAALO Cc1cccc(-c2ncc(C[NH+]3CCN(CC(=O)N4CCCC4)CC3)cn2)c1 ZINC000055270871 570689782 /nfs/dbraw/zinc/68/97/82/570689782.db2.gz JJUAWASVJJONRT-UHFFFAOYSA-N 1 2 379.508 2.192 50 0 GEAALO O=C(Nc1nc2ccccc2n1CC[NH+]1CCOCC1)c1ccc2c(c1)OCO2 ZINC000032611713 570691034 /nfs/dbraw/zinc/69/10/34/570691034.db2.gz RECYEQYKJHKZMO-UHFFFAOYSA-N 1 2 394.431 2.350 50 0 GEAALO Cc1nc(N2CC[NH+](CCO)CC2)nc2c1C(=O)C[C@H](/C=C/c1ccccc1)C2 ZINC000012653539 570695898 /nfs/dbraw/zinc/69/58/98/570695898.db2.gz POQPVZSHNDADAZ-IHHMQQGQSA-N 1 2 392.503 2.358 50 0 GEAALO COc1ccc2cc([C@H](C)NC(=O)Cn3nnnc3C[NH+]3CCCC3)ccc2c1 ZINC000012704605 570699957 /nfs/dbraw/zinc/69/99/57/570699957.db2.gz KFRZBJUFLPBDCG-HNNXBMFYSA-N 1 2 394.479 2.308 50 0 GEAALO Cc1nc(C[NH2+]Cc2cnc3c(c2)c(C)nn3[C@@H]2CCS(=O)(=O)C2)cs1 ZINC000058141214 570710962 /nfs/dbraw/zinc/71/09/62/570710962.db2.gz XPQXACKWHOWUIB-OAHLLOKOSA-N 1 2 391.522 2.154 50 0 GEAALO C[N@H+](CC(=O)Nc1nnc([C@H]2CCCO2)s1)Cc1ccc2c(c1)OCO2 ZINC000252479844 570727623 /nfs/dbraw/zinc/72/76/23/570727623.db2.gz BNTVEWVKUSNMGK-CYBMUJFWSA-N 1 2 376.438 2.189 50 0 GEAALO C[N@@H+](CC(=O)Nc1nnc([C@H]2CCCO2)s1)Cc1ccc2c(c1)OCO2 ZINC000252479844 570727626 /nfs/dbraw/zinc/72/76/26/570727626.db2.gz BNTVEWVKUSNMGK-CYBMUJFWSA-N 1 2 376.438 2.189 50 0 GEAALO COc1ccccc1NC(=O)c1ccc(NC(=O)C[NH+]2CCC(O)CC2)cc1 ZINC000032664921 570730883 /nfs/dbraw/zinc/73/08/83/570730883.db2.gz JXAWMBIZXAPHKD-UHFFFAOYSA-N 1 2 383.448 2.343 50 0 GEAALO CC1=C(C(N)=O)[C@@H](c2cccc(O)c2)N2NC(c3ccc(Cl)cc3)=NC2=[NH+]1 ZINC000000940677 570731716 /nfs/dbraw/zinc/73/17/16/570731716.db2.gz CKVYRQPSPMJFAB-MRXNPFEDSA-N 1 2 381.823 2.483 50 0 GEAALO C[C@@H]1C[NH+]=C2C(N3CCN(C(=O)c4ccccc4C(F)(F)F)CC3)=NC=CN21 ZINC000065261072 570758566 /nfs/dbraw/zinc/75/85/66/570758566.db2.gz BOADUKGQRXLIHH-CYBMUJFWSA-N 1 2 391.397 2.449 50 0 GEAALO COc1ccc(F)cc1S(=O)(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000065362108 570759561 /nfs/dbraw/zinc/75/95/61/570759561.db2.gz CUZGACDWGXTXHV-UHFFFAOYSA-N 1 2 394.468 2.145 50 0 GEAALO CCc1nn(C)c(NC(=O)c2ccc(C[N@@H+]3CCNC(=O)[C@@H]3C)cc2)c1CC ZINC000065456691 570769661 /nfs/dbraw/zinc/76/96/61/570769661.db2.gz WNYWXRLSXOWHTK-AWEZNQCLSA-N 1 2 383.496 2.118 50 0 GEAALO CCc1nn(C)c(NC(=O)c2ccc(C[N@H+]3CCNC(=O)[C@@H]3C)cc2)c1CC ZINC000065456691 570769666 /nfs/dbraw/zinc/76/96/66/570769666.db2.gz WNYWXRLSXOWHTK-AWEZNQCLSA-N 1 2 383.496 2.118 50 0 GEAALO CCCN(C(=O)C[NH+]1CCN(CC(=O)N[C@H](C)CC)CC1)C1=CCCCC1 ZINC000032770161 570803919 /nfs/dbraw/zinc/80/39/19/570803919.db2.gz SDHPWCSYOWESQG-GOSISDBHSA-N 1 2 378.561 2.215 50 0 GEAALO O=c1[nH]c(O)c([C@H]2[NH2+]CCc3c4ccccc4[nH]c32)c(=O)n1Cc1ccccc1 ZINC000018208633 570810427 /nfs/dbraw/zinc/81/04/27/570810427.db2.gz XWSOWJPAZNPGOJ-LJQANCHMSA-N 1 2 388.427 2.007 50 0 GEAALO O=c1[nH]c(=O)n(Cc2ccccc2)c(O)c1[C@H]1[NH2+]CCc2c3ccccc3[nH]c21 ZINC000018208633 570810430 /nfs/dbraw/zinc/81/04/30/570810430.db2.gz XWSOWJPAZNPGOJ-LJQANCHMSA-N 1 2 388.427 2.007 50 0 GEAALO O=C(NC[C@@H]1COc2ccccc2O1)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000032802208 570820751 /nfs/dbraw/zinc/82/07/51/570820751.db2.gz KSWDVYLSTCYIBO-RTBURBONSA-N 1 2 397.475 2.199 50 0 GEAALO Cc1ccc(C)c(S(=O)(=O)N2CCN(Cc3cn4ccccc4[nH+]3)CC2)c1 ZINC000007285630 570824886 /nfs/dbraw/zinc/82/48/86/570824886.db2.gz AELZCNDKUYYVLO-UHFFFAOYSA-N 1 2 384.505 2.458 50 0 GEAALO C[C@@H](c1ccccc1)N1C[C@H](C(=O)N2CC[NH+](Cc3ccncc3)CC2)CC1=O ZINC000012533587 570834823 /nfs/dbraw/zinc/83/48/23/570834823.db2.gz GYMSNQPYBQGWGV-GHTZIAJQSA-N 1 2 392.503 2.336 50 0 GEAALO Cc1[nH+]c2ccccc2n1CCNC(=O)CCn1nc(-c2cccs2)oc1=O ZINC000032820863 570841977 /nfs/dbraw/zinc/84/19/77/570841977.db2.gz QENFFSKKYNGXJD-UHFFFAOYSA-N 1 2 397.460 2.429 50 0 GEAALO O=C(CSc1nnc(C[NH+]2CCCCC2)o1)NC(=O)NCc1cccs1 ZINC000032829844 570844240 /nfs/dbraw/zinc/84/42/40/570844240.db2.gz OKSLNFSHNAVXKD-UHFFFAOYSA-N 1 2 395.510 2.235 50 0 GEAALO O=C(NCc1ccc[nH+]c1N1CCOCC1)Nc1ccccc1Cn1cccn1 ZINC000044268934 570873843 /nfs/dbraw/zinc/87/38/43/570873843.db2.gz GBSWEQBIWCYJEF-UHFFFAOYSA-N 1 2 392.463 2.485 50 0 GEAALO CC(=O)NCc1ccc(S(=O)(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)cc1 ZINC000103449962 570885335 /nfs/dbraw/zinc/88/53/35/570885335.db2.gz ZORKOQHNHYBYSF-FQEVSTJZSA-N 1 2 387.505 2.000 50 0 GEAALO CC(=O)NCc1ccc(S(=O)(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)cc1 ZINC000103449962 570885338 /nfs/dbraw/zinc/88/53/38/570885338.db2.gz ZORKOQHNHYBYSF-FQEVSTJZSA-N 1 2 387.505 2.000 50 0 GEAALO CNS(=O)(=O)c1ccc(C)c(C(=O)NCc2ccccc2Cn2cc[nH+]c2)c1 ZINC000032904450 570901885 /nfs/dbraw/zinc/90/18/85/570901885.db2.gz HMFNKDIRMSRZJQ-UHFFFAOYSA-N 1 2 398.488 2.078 50 0 GEAALO Cn1ccnc1[C@H](NC(=O)N1CC[NH+](CCOc2ccccc2)CC1)C1CC1 ZINC000534662773 570922518 /nfs/dbraw/zinc/92/25/18/570922518.db2.gz RTIFDCPDEWFTPP-LJQANCHMSA-N 1 2 383.496 2.277 50 0 GEAALO O=c1[nH]c(=O)n(-c2ccc(F)cc2)c(O)c1[C@@H]1[NH2+]CCc2c3ccccc3[nH]c21 ZINC000016995797 570923264 /nfs/dbraw/zinc/92/32/64/570923264.db2.gz IZBQSHVWJYDKNF-SFHVURJKSA-N 1 2 392.390 2.087 50 0 GEAALO Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)c1 ZINC000004748660 570963300 /nfs/dbraw/zinc/96/33/00/570963300.db2.gz LQTWFXOJGONZNW-UHFFFAOYSA-N 1 2 387.505 2.492 50 0 GEAALO O=C(Nc1cc(Cl)ccc1O)C1CC[NH+](Cc2nnnn2C2CC2)CC1 ZINC000053020607 570976781 /nfs/dbraw/zinc/97/67/81/570976781.db2.gz USKFEEQQXOPVDX-UHFFFAOYSA-N 1 2 376.848 2.218 50 0 GEAALO Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+]1CC[C@@H](C(F)(F)F)C1(C)C ZINC000252550335 570995472 /nfs/dbraw/zinc/99/54/72/570995472.db2.gz SJPFFSHPNWKTCA-CYBMUJFWSA-N 1 2 393.431 2.244 50 0 GEAALO Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+]1CC[C@@H](C(F)(F)F)C1(C)C ZINC000252550335 570995473 /nfs/dbraw/zinc/99/54/73/570995473.db2.gz SJPFFSHPNWKTCA-CYBMUJFWSA-N 1 2 393.431 2.244 50 0 GEAALO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1CC(=O)NCc1ccc(OC)c(OC)c1 ZINC000109043304 570995698 /nfs/dbraw/zinc/99/56/98/570995698.db2.gz MFVWQNXXWFAAPI-ULQDDVLXSA-N 1 2 390.480 2.126 50 0 GEAALO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CC(=O)NCc1ccc(OC)c(OC)c1 ZINC000109043304 570995702 /nfs/dbraw/zinc/99/57/02/570995702.db2.gz MFVWQNXXWFAAPI-ULQDDVLXSA-N 1 2 390.480 2.126 50 0 GEAALO CC1=NN(c2ccc(C(=O)NCc3cc[nH+]c(N4CCOCC4)c3)cc2)CC1 ZINC000045883494 570998035 /nfs/dbraw/zinc/99/80/35/570998035.db2.gz CWNGILOGNVEALF-UHFFFAOYSA-N 1 2 379.464 2.434 50 0 GEAALO CCCNC(=O)C1CC[NH+](Cc2nc(N)nc(Nc3ccc(F)cc3)n2)CC1 ZINC000170652092 570998683 /nfs/dbraw/zinc/99/86/83/570998683.db2.gz ZRGCPNNTDXVSPE-UHFFFAOYSA-N 1 2 387.463 2.075 50 0 GEAALO Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@H](C)C[N@@H+]1CCc2ccccc2C1 ZINC000670441025 652748952 /nfs/dbraw/zinc/74/89/52/652748952.db2.gz ONMSQSCLOUQASK-GFCCVEGCSA-N 1 2 382.917 2.107 50 0 GEAALO Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@H](C)C[N@H+]1CCc2ccccc2C1 ZINC000670441025 652748965 /nfs/dbraw/zinc/74/89/65/652748965.db2.gz ONMSQSCLOUQASK-GFCCVEGCSA-N 1 2 382.917 2.107 50 0 GEAALO C[C@@H]1CN(C[C@@H](C[N@H+]2C[C@@H](C)O[C@@H](C)C2)NC(=O)OC(C)(C)C)C[C@@H](C)O1 ZINC000241435140 231039390 /nfs/dbraw/zinc/03/93/90/231039390.db2.gz NKZJNMBPSKWRBZ-DZVNLGKHSA-N 1 2 385.549 2.098 50 0 GEAALO C[C@@H]1CN(C[C@@H](C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)NC(=O)OC(C)(C)C)C[C@@H](C)O1 ZINC000241435140 231039393 /nfs/dbraw/zinc/03/93/93/231039393.db2.gz NKZJNMBPSKWRBZ-DZVNLGKHSA-N 1 2 385.549 2.098 50 0 GEAALO C[C@@H]1CN(C[C@H](C[NH+]2C[C@@H](C)O[C@H](C)C2)NC(=O)OC(C)(C)C)C[C@H](C)O1 ZINC000241435140 231039396 /nfs/dbraw/zinc/03/93/96/231039396.db2.gz NKZJNMBPSKWRBZ-DZVNLGKHSA-N 1 2 385.549 2.098 50 0 GEAALO CCc1ccc(C[N@@H+]2CCc3c(C(=O)N[C@@H]4CCN(C)C4=O)csc3C2)nc1 ZINC000426477928 529644535 /nfs/dbraw/zinc/64/45/35/529644535.db2.gz BPRWJKVIVCWJML-GOSISDBHSA-N 1 2 398.532 2.224 50 0 GEAALO CCc1ccc(C[N@H+]2CCc3c(C(=O)N[C@@H]4CCN(C)C4=O)csc3C2)nc1 ZINC000426477928 529644538 /nfs/dbraw/zinc/64/45/38/529644538.db2.gz BPRWJKVIVCWJML-GOSISDBHSA-N 1 2 398.532 2.224 50 0 GEAALO CCN1CC[NH+](C2(C(=O)N(C)[C@H](C)c3ccon3)Cc3ccccc3C2)CC1 ZINC000019220613 210231436 /nfs/dbraw/zinc/23/14/36/210231436.db2.gz PIEJSOQIBUESKE-QGZVFWFLSA-N 1 2 382.508 2.369 50 0 GEAALO COc1ccccc1N1CCN(c2ncccc2C[NH2+]Cc2cnc[nH]2)CC1 ZINC000019146527 210229703 /nfs/dbraw/zinc/22/97/03/210229703.db2.gz BNDDFEVOXUHLRV-UHFFFAOYSA-N 1 2 378.480 2.430 50 0 GEAALO CN(C)S(=O)(=O)c1cccc(C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)c1 ZINC000018232287 210218286 /nfs/dbraw/zinc/21/82/86/210218286.db2.gz FHTPZOLTSAOQFC-LJQANCHMSA-N 1 2 387.505 2.066 50 0 GEAALO CN(C)S(=O)(=O)c1cccc(C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)c1 ZINC000018232287 210218289 /nfs/dbraw/zinc/21/82/89/210218289.db2.gz FHTPZOLTSAOQFC-LJQANCHMSA-N 1 2 387.505 2.066 50 0 GEAALO COc1cccc([C@@H](C)N(C)C(=O)Cn2nnnc2C[NH+]2CCC(C)CC2)c1 ZINC000015072623 210150710 /nfs/dbraw/zinc/15/07/10/210150710.db2.gz DEDGAXLGRNFDTC-MRXNPFEDSA-N 1 2 386.500 2.133 50 0 GEAALO Cc1ccc(C[N@@H+]2CCNC(=O)[C@H]2CC(=O)NCCc2cccc(F)c2)cc1 ZINC000015073174 210149940 /nfs/dbraw/zinc/14/99/40/210149940.db2.gz XDEKKXQKPTXREI-HXUWFJFHSA-N 1 2 383.467 2.184 50 0 GEAALO Cc1ccc(C[N@H+]2CCNC(=O)[C@H]2CC(=O)NCCc2cccc(F)c2)cc1 ZINC000015073174 210149943 /nfs/dbraw/zinc/14/99/43/210149943.db2.gz XDEKKXQKPTXREI-HXUWFJFHSA-N 1 2 383.467 2.184 50 0 GEAALO Cc1ccc(C[N@@H+]2CCNC(=O)[C@@H]2CC(=O)N(C)CCOc2ccc(C)cc2)o1 ZINC000014960286 210132673 /nfs/dbraw/zinc/13/26/73/210132673.db2.gz IPRLEGHRZVCELZ-FQEVSTJZSA-N 1 2 399.491 2.124 50 0 GEAALO Cc1ccc(C[N@H+]2CCNC(=O)[C@@H]2CC(=O)N(C)CCOc2ccc(C)cc2)o1 ZINC000014960286 210132677 /nfs/dbraw/zinc/13/26/77/210132677.db2.gz IPRLEGHRZVCELZ-FQEVSTJZSA-N 1 2 399.491 2.124 50 0 GEAALO COC(=O)C[N@H+](C)[C@H]1CCc2c(c(C(=O)N(C)C)nn2CC2CCCCC2)C1 ZINC000014539039 210119114 /nfs/dbraw/zinc/11/91/14/210119114.db2.gz QAKGAKDIGOJIKH-INIZCTEOSA-N 1 2 390.528 2.127 50 0 GEAALO COC(=O)C[N@@H+](C)[C@H]1CCc2c(c(C(=O)N(C)C)nn2CC2CCCCC2)C1 ZINC000014539039 210119117 /nfs/dbraw/zinc/11/91/17/210119117.db2.gz QAKGAKDIGOJIKH-INIZCTEOSA-N 1 2 390.528 2.127 50 0 GEAALO C[C@@H](C1CC1)N(CC(F)(F)F)C(=O)C[N@H+](C)CC(=O)NCc1ccco1 ZINC000014247193 210114105 /nfs/dbraw/zinc/11/41/05/210114105.db2.gz QRQZCRJUNQBODW-LBPRGKRZSA-N 1 2 375.391 2.017 50 0 GEAALO C[C@@H](C1CC1)N(CC(F)(F)F)C(=O)C[N@@H+](C)CC(=O)NCc1ccco1 ZINC000014247193 210114109 /nfs/dbraw/zinc/11/41/09/210114109.db2.gz QRQZCRJUNQBODW-LBPRGKRZSA-N 1 2 375.391 2.017 50 0 GEAALO C[NH+]1CCN(c2nc(O)c(CC(=O)Nc3cccc4ccccc43)s2)CC1 ZINC000014111185 210103075 /nfs/dbraw/zinc/10/30/75/210103075.db2.gz ONZYWCRJCIUCRB-QGZVFWFLSA-N 1 2 382.489 2.414 50 0 GEAALO Cc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2[NH2+]Cc2ccccc2C)cc1 ZINC000013371326 210061317 /nfs/dbraw/zinc/06/13/17/210061317.db2.gz UBENVDPRGGJZAI-OALUTQOASA-N 1 2 393.530 2.033 50 0 GEAALO COc1ccc(C)cc1C[NH+]1CCN(S(=O)(=O)N2CCCCCC2)CC1 ZINC000012778349 210008140 /nfs/dbraw/zinc/00/81/40/210008140.db2.gz HNKBWGWFPUSFGB-UHFFFAOYSA-N 1 2 381.542 2.242 50 0 GEAALO FC(F)(F)c1nnc2ccc(NC[C@H]3C[N@H+](Cc4ccccc4)CCO3)nn21 ZINC000012792704 210009389 /nfs/dbraw/zinc/00/93/89/210009389.db2.gz IOFHGGIDUOTARK-AWEZNQCLSA-N 1 2 392.385 2.456 50 0 GEAALO FC(F)(F)c1nnc2ccc(NC[C@H]3C[N@@H+](Cc4ccccc4)CCO3)nn21 ZINC000012792704 210009394 /nfs/dbraw/zinc/00/93/94/210009394.db2.gz IOFHGGIDUOTARK-AWEZNQCLSA-N 1 2 392.385 2.456 50 0 GEAALO Cn1cnc(S(=O)(=O)NC2CC[NH+](Cc3c(F)cccc3Cl)CC2)c1 ZINC000004302174 531512052 /nfs/dbraw/zinc/51/20/52/531512052.db2.gz OVYCTEPALZTCBB-UHFFFAOYSA-N 1 2 386.880 2.156 50 0 GEAALO CC(C)NC(=O)C[N@@H+]1CCCN(C(=O)Cc2ccc(Br)cc2)CC1 ZINC000047638667 531717003 /nfs/dbraw/zinc/71/70/03/531717003.db2.gz IEMSHJCSUINMIO-UHFFFAOYSA-N 1 2 396.329 2.051 50 0 GEAALO CC(C)NC(=O)C[N@H+]1CCCN(C(=O)Cc2ccc(Br)cc2)CC1 ZINC000047638667 531717007 /nfs/dbraw/zinc/71/70/07/531717007.db2.gz IEMSHJCSUINMIO-UHFFFAOYSA-N 1 2 396.329 2.051 50 0 GEAALO O=C(N[C@H]1CS(=O)(=O)C[C@H]1[NH+]1CCCCC1)c1cccc(Cl)c1Cl ZINC000060364020 531841101 /nfs/dbraw/zinc/84/11/01/531841101.db2.gz NQJHLSIYNHKHRP-UONOGXRCSA-N 1 2 391.320 2.375 50 0 GEAALO Cc1ccc(Cn2c(C[N@H+]3CCCC[C@H]3C)nc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000002438204 209363930 /nfs/dbraw/zinc/36/39/30/209363930.db2.gz HZWRMWGYIQMSTL-MRXNPFEDSA-N 1 2 395.507 2.165 50 0 GEAALO Cc1ccc(Cn2c(C[N@@H+]3CCCC[C@H]3C)nc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000002438204 209363932 /nfs/dbraw/zinc/36/39/32/209363932.db2.gz HZWRMWGYIQMSTL-MRXNPFEDSA-N 1 2 395.507 2.165 50 0 GEAALO O=C(Cn1c(=O)oc2ccccc21)NC[C@@H](c1ccco1)[NH+]1CCSCC1 ZINC000240067707 209214956 /nfs/dbraw/zinc/21/49/56/209214956.db2.gz RZKTUUAZMIYCPS-HNNXBMFYSA-N 1 2 387.461 2.094 50 0 GEAALO CC[NH+]1CCN(C(=O)c2c(=O)cc(C)n(CCOC)c2CC2CCCC2)CC1 ZINC000299759769 212033397 /nfs/dbraw/zinc/03/33/97/212033397.db2.gz NCLOYWAXDOJXSS-UHFFFAOYSA-N 1 2 389.540 2.314 50 0 GEAALO CC=C1C[N@H+](C)[C@H]2Cc3c4ccccc4[nH]c3C(=O)C[C@H]1[C@]2(CO)C(=O)OC ZINC000261493072 212030106 /nfs/dbraw/zinc/03/01/06/212030106.db2.gz CZRUSFCSECMUDS-RVGPIENISA-N 1 2 382.460 2.325 50 0 GEAALO CC=C1C[N@@H+](C)[C@H]2Cc3c4ccccc4[nH]c3C(=O)C[C@H]1[C@]2(CO)C(=O)OC ZINC000261493072 212030109 /nfs/dbraw/zinc/03/01/09/212030109.db2.gz CZRUSFCSECMUDS-RVGPIENISA-N 1 2 382.460 2.325 50 0 GEAALO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccc(CS(C)(=O)=O)o1 ZINC000097142626 211360614 /nfs/dbraw/zinc/36/06/14/211360614.db2.gz QQAXJQJSDKUCMC-YOEHRIQHSA-N 1 2 376.478 2.075 50 0 GEAALO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccc(CS(C)(=O)=O)o1 ZINC000097142626 211360616 /nfs/dbraw/zinc/36/06/16/211360616.db2.gz QQAXJQJSDKUCMC-YOEHRIQHSA-N 1 2 376.478 2.075 50 0 GEAALO COc1cccc(C[NH+]2CCN(C(=O)c3ccccc3-n3cncn3)CC2)c1 ZINC000097243643 211363219 /nfs/dbraw/zinc/36/32/19/211363219.db2.gz XYBIKLJLLQOKIO-UHFFFAOYSA-N 1 2 377.448 2.234 50 0 GEAALO O=S(=O)(Nc1cc[nH+]cc1)c1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000097102027 211357694 /nfs/dbraw/zinc/35/76/94/211357694.db2.gz OBCKOMSEKIVGGH-UHFFFAOYSA-N 1 2 395.506 2.447 50 0 GEAALO CC(C)[C@@H]1C[C@@H](CC(=O)N2CC[NH+]([C@@H](C)C(=O)N3CCCCC3)CC2)CCO1 ZINC000097081715 211356999 /nfs/dbraw/zinc/35/69/99/211356999.db2.gz OBYOUCYCTQPBJX-UFYCRDLUSA-N 1 2 393.572 2.373 50 0 GEAALO COc1ccc(C[NH+]2CCN(CN3C(=O)CC4(CCCC4)C3=O)CC2)cc1F ZINC000096301134 211332881 /nfs/dbraw/zinc/33/28/81/211332881.db2.gz YHUIULRQFCVHPW-UHFFFAOYSA-N 1 2 389.471 2.229 50 0 GEAALO COCCCNC(=O)[C@@H](C1CCCC1)[NH+]1CCN(C(=O)C2CCCC2)CC1 ZINC000096280280 211330288 /nfs/dbraw/zinc/33/02/88/211330288.db2.gz LJCGSZIMWQOUKZ-LJQANCHMSA-N 1 2 379.545 2.032 50 0 GEAALO COCCCNC(=O)[C@@H](C1CCCC1)[NH+]1CCN(C(=O)c2cccs2)CC1 ZINC000096280262 211329824 /nfs/dbraw/zinc/32/98/24/211329824.db2.gz ZWTFPARRHZHHBA-GOSISDBHSA-N 1 2 393.553 2.217 50 0 GEAALO CC[N@H+](CCCNC(=O)c1nnn2c1c(=O)[nH]c1ccccc12)c1ccccc1 ZINC000096397379 211339939 /nfs/dbraw/zinc/33/99/39/211339939.db2.gz VAWLZLALZIQIHD-UHFFFAOYSA-N 1 2 390.447 2.217 50 0 GEAALO CC[N@@H+](CCCNC(=O)c1nnn2c1c(=O)[nH]c1ccccc12)c1ccccc1 ZINC000096397379 211339942 /nfs/dbraw/zinc/33/99/42/211339942.db2.gz VAWLZLALZIQIHD-UHFFFAOYSA-N 1 2 390.447 2.217 50 0 GEAALO CCc1[nH+]c(C)ccc1OCc1nc(C2CC2)nn1[C@H]1CCS(=O)(=O)C1 ZINC000096166447 211317072 /nfs/dbraw/zinc/31/70/72/211317072.db2.gz GZIOZZTVHIYLPM-AWEZNQCLSA-N 1 2 376.482 2.360 50 0 GEAALO C[C@H]1[NH2+]C2(CCN(C(=O)c3ccccc3Cl)CC2)N(C[C@H]2CCCO2)C1=O ZINC000096210932 211319850 /nfs/dbraw/zinc/31/98/50/211319850.db2.gz KCCZVDCPZXBGII-HUUCEWRRSA-N 1 2 391.899 2.272 50 0 GEAALO CCn1nccc1C(=O)N1CCC(c2nnc(C[NH+]3CCCCC3)n2C)CC1 ZINC000096142247 211307708 /nfs/dbraw/zinc/30/77/08/211307708.db2.gz WICKTJDJLJHPAY-UHFFFAOYSA-N 1 2 385.516 2.037 50 0 GEAALO CCc1cnc(CCNC(=O)C[N@@H+]2CCc3cc(OC)c(OC)cc3C2)s1 ZINC000095971843 211291483 /nfs/dbraw/zinc/29/14/83/211291483.db2.gz IKXXMQYRWMRJKQ-UHFFFAOYSA-N 1 2 389.521 2.440 50 0 GEAALO CCc1cnc(CCNC(=O)C[N@H+]2CCc3cc(OC)c(OC)cc3C2)s1 ZINC000095971843 211291486 /nfs/dbraw/zinc/29/14/86/211291486.db2.gz IKXXMQYRWMRJKQ-UHFFFAOYSA-N 1 2 389.521 2.440 50 0 GEAALO Cn1cnnc1C[N@@H+]1CCC[C@@H](CNC(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000095530011 211275816 /nfs/dbraw/zinc/27/58/16/211275816.db2.gz SCUBOTMZBWYHEI-ZDUSSCGKSA-N 1 2 381.402 2.476 50 0 GEAALO Cn1cnnc1C[N@H+]1CCC[C@@H](CNC(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000095530011 211275819 /nfs/dbraw/zinc/27/58/19/211275819.db2.gz SCUBOTMZBWYHEI-ZDUSSCGKSA-N 1 2 381.402 2.476 50 0 GEAALO CCc1ccccc1C(=O)N1CCC2(CC1)c1[nH+]c[nH]c1CCN2C(=O)COC ZINC000095529561 211275528 /nfs/dbraw/zinc/27/55/28/211275528.db2.gz OEGIYOUYEFRGPZ-UHFFFAOYSA-N 1 2 396.491 2.135 50 0 GEAALO Cc1ccc(C(=O)N2CCC[C@@H](c3[nH+]ccn3Cc3cscn3)C2)c(=O)[nH]1 ZINC000095527598 211273342 /nfs/dbraw/zinc/27/33/42/211273342.db2.gz GGDJNIMCVAQDEW-CQSZACIVSA-N 1 2 383.477 2.404 50 0 GEAALO CCn1cc[nH+]c1[C@H]1CCCN(C(=O)Cn2nnc(-c3ccc(F)cc3)n2)C1 ZINC000095526970 211273246 /nfs/dbraw/zinc/27/32/46/211273246.db2.gz RORHWTSFLXGYFU-HNNXBMFYSA-N 1 2 383.431 2.102 50 0 GEAALO Cc1ccc(C(=O)N2CCC[C@H](c3[nH+]ccn3Cc3cscn3)C2)c(=O)[nH]1 ZINC000095527597 211272015 /nfs/dbraw/zinc/27/20/15/211272015.db2.gz GGDJNIMCVAQDEW-AWEZNQCLSA-N 1 2 383.477 2.404 50 0 GEAALO Cc1[nH]c2ccccc2c1CC(=O)N1CCC[C@@H](c2[nH+]ccn2CC(N)=O)C1 ZINC000095525781 211271693 /nfs/dbraw/zinc/27/16/93/211271693.db2.gz LBRPJMSBQRXFOI-OAHLLOKOSA-N 1 2 379.464 2.107 50 0 GEAALO CCc1nc(C[NH+]2CCC3(CCC(=O)N(Cc4cnc(C)cn4)C3)CC2)no1 ZINC000095524518 211269269 /nfs/dbraw/zinc/26/92/69/211269269.db2.gz HHKTXAOAGKIQNV-UHFFFAOYSA-N 1 2 384.484 2.135 50 0 GEAALO CCC(=O)N1CCc2[nH]cnc2C12CC[NH+](Cc1cnc(SC)nc1)CC2 ZINC000095508919 211260564 /nfs/dbraw/zinc/26/05/64/211260564.db2.gz DNQBIEGWEWSQGE-UHFFFAOYSA-N 1 2 386.525 2.208 50 0 GEAALO CCC(=O)N1CCc2nc[nH]c2C12CC[NH+](Cc1cnc(SC)nc1)CC2 ZINC000095508919 211260570 /nfs/dbraw/zinc/26/05/70/211260570.db2.gz DNQBIEGWEWSQGE-UHFFFAOYSA-N 1 2 386.525 2.208 50 0 GEAALO COCC(=O)N1CCc2[nH]c[nH+]c2C12CCN(C(=O)c1cc(C)cc(C)c1)CC2 ZINC000095510373 211259079 /nfs/dbraw/zinc/25/90/79/211259079.db2.gz HRTCZIZGDLUQEU-UHFFFAOYSA-N 1 2 396.491 2.189 50 0 GEAALO Cc1cc(NC(=O)NCC[NH+]2CCOCC2)n(Cc2ccc(Cl)cc2)n1 ZINC000095503732 211255219 /nfs/dbraw/zinc/25/52/19/211255219.db2.gz JIOHTAAQKYTGNF-UHFFFAOYSA-N 1 2 377.876 2.347 50 0 GEAALO CCCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)cc1 ZINC000095402428 211238806 /nfs/dbraw/zinc/23/88/06/211238806.db2.gz CARUEFZBKMMVLW-MRXNPFEDSA-N 1 2 377.466 2.303 50 0 GEAALO O=C(NCC[NH+]1CCOCC1)c1cn(-c2ccccc2)c(=O)c2ccccc12 ZINC000095479174 211249035 /nfs/dbraw/zinc/24/90/35/211249035.db2.gz HEGJPAONYUZOGS-UHFFFAOYSA-N 1 2 377.444 2.053 50 0 GEAALO Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)c2cnc(C[NH+]3CCCC3)s2)on1 ZINC000095377108 211228902 /nfs/dbraw/zinc/22/89/02/211228902.db2.gz VREDBYGVUANZCL-HIFRSBDPSA-N 1 2 376.482 2.023 50 0 GEAALO COc1nc(C)c(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](Cc2[nH]cnc2C)C3)s1 ZINC000091997429 211211856 /nfs/dbraw/zinc/21/18/56/211211856.db2.gz RHIWBPRNDAWRRF-UONOGXRCSA-N 1 2 375.498 2.228 50 0 GEAALO COc1nc(C)c(C(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](Cc2[nH]cnc2C)C3)s1 ZINC000091997429 211211860 /nfs/dbraw/zinc/21/18/60/211211860.db2.gz RHIWBPRNDAWRRF-UONOGXRCSA-N 1 2 375.498 2.228 50 0 GEAALO CC(=O)N1CCc2[nH]c[nH+]c2C12CCN(C(=O)CCCOc1ccccc1)CC2 ZINC000091906414 211210712 /nfs/dbraw/zinc/21/07/12/211210712.db2.gz GXIKFEQUWXEDCD-UHFFFAOYSA-N 1 2 396.491 2.491 50 0 GEAALO COCC(=O)NCc1cc2n(n1)CCC[N@H+](Cc1ccc(F)c(Cl)c1)C2 ZINC000091845847 211208777 /nfs/dbraw/zinc/20/87/77/211208777.db2.gz OMLDBBJOSFKDOQ-UHFFFAOYSA-N 1 2 380.851 2.344 50 0 GEAALO COCC(=O)NCc1cc2n(n1)CCC[N@@H+](Cc1ccc(F)c(Cl)c1)C2 ZINC000091845847 211208781 /nfs/dbraw/zinc/20/87/81/211208781.db2.gz OMLDBBJOSFKDOQ-UHFFFAOYSA-N 1 2 380.851 2.344 50 0 GEAALO O=C(NCc1ccccc1-n1cc[nH+]c1)[C@H]1CCC(=O)N(Cc2ccccn2)C1 ZINC000091621371 211198700 /nfs/dbraw/zinc/19/87/00/211198700.db2.gz MVWPMBJVIYJPCF-SFHVURJKSA-N 1 2 389.459 2.322 50 0 GEAALO CCN(CCc1[nH]c2ccc(OC)cc2[nH+]1)C(=O)c1cnc(C2CC2)[nH]c1=O ZINC000091575479 211197044 /nfs/dbraw/zinc/19/70/44/211197044.db2.gz FYRZIZWHPUVILV-UHFFFAOYSA-N 1 2 381.436 2.237 50 0 GEAALO Cc1ccc(CC(=O)N2CCC(c3nnc(Cn4cc[nH+]c4)n3C)CC2)cc1 ZINC000091594577 211195840 /nfs/dbraw/zinc/19/58/40/211195840.db2.gz BNABUECKHSSBFO-UHFFFAOYSA-N 1 2 378.480 2.317 50 0 GEAALO O=C(COc1ccccc1)N1CCC2(CCC(=O)N(CCc3c[nH+]c[nH]3)C2)CC1 ZINC000091830517 211207376 /nfs/dbraw/zinc/20/73/76/211207376.db2.gz RYTLOZNHHDNTOB-UHFFFAOYSA-N 1 2 396.491 2.262 50 0 GEAALO O=C(COc1ccccc1)N1CCC2(CCC(=O)N(CCc3c[nH]c[nH+]3)C2)CC1 ZINC000091830517 211207383 /nfs/dbraw/zinc/20/73/83/211207383.db2.gz RYTLOZNHHDNTOB-UHFFFAOYSA-N 1 2 396.491 2.262 50 0 GEAALO O=C(Cn1cc[nH+]c1-c1ccccc1)NC[C@@H](c1ccccn1)N1CCOCC1 ZINC000091755229 211206185 /nfs/dbraw/zinc/20/61/85/211206185.db2.gz BLFIWBYIYFUZJW-FQEVSTJZSA-N 1 2 391.475 2.135 50 0 GEAALO COc1ccc(F)c(F)c1C[N@@H+]1CCn2nc(CCC(=O)NC3CC3)cc2C1 ZINC000091755049 211205015 /nfs/dbraw/zinc/20/50/15/211205015.db2.gz NRFRLWKELGMVKD-UHFFFAOYSA-N 1 2 390.434 2.397 50 0 GEAALO COc1ccc(F)c(F)c1C[N@H+]1CCn2nc(CCC(=O)NC3CC3)cc2C1 ZINC000091755049 211205018 /nfs/dbraw/zinc/20/50/18/211205018.db2.gz NRFRLWKELGMVKD-UHFFFAOYSA-N 1 2 390.434 2.397 50 0 GEAALO Cc1nn(CC(=O)N2CCC(Nc3cccc[nH+]3)CC2)c(=O)c2ccccc12 ZINC000091441087 211191545 /nfs/dbraw/zinc/19/15/45/211191545.db2.gz JFYPEUHLIIFBBD-UHFFFAOYSA-N 1 2 377.448 2.203 50 0 GEAALO COCc1noc(C[N@@H+]2CCC[C@]3(CCC(=O)N(Cc4ccccn4)C3)C2)n1 ZINC000091452755 211192301 /nfs/dbraw/zinc/19/23/01/211192301.db2.gz ZPQNYZXMHZIBDT-FQEVSTJZSA-N 1 2 385.468 2.016 50 0 GEAALO COCc1noc(C[N@H+]2CCC[C@]3(CCC(=O)N(Cc4ccccn4)C3)C2)n1 ZINC000091452755 211192304 /nfs/dbraw/zinc/19/23/04/211192304.db2.gz ZPQNYZXMHZIBDT-FQEVSTJZSA-N 1 2 385.468 2.016 50 0 GEAALO COc1ccc2cc(C(=O)NC3CC[NH+]([C@H]4CCOC4=O)CC3)c(C)nc2c1 ZINC000089536688 211181269 /nfs/dbraw/zinc/18/12/69/211181269.db2.gz YHBFTBKENHLQBA-IBGZPJMESA-N 1 2 383.448 2.062 50 0 GEAALO O=C(Cn1[nH]c2ccccc2c1=O)N1CCC[C@H](c2[nH+]ccn2CC2CC2)C1 ZINC000082147777 211161375 /nfs/dbraw/zinc/16/13/75/211161375.db2.gz GGXBMAVISHLPAM-INIZCTEOSA-N 1 2 379.464 2.342 50 0 GEAALO COCC(=O)NCc1cc2n(n1)CCC[N@H+](Cc1ccc(F)cc1Cl)C2 ZINC000082160286 211164289 /nfs/dbraw/zinc/16/42/89/211164289.db2.gz FTNNYOAZNAJANR-UHFFFAOYSA-N 1 2 380.851 2.344 50 0 GEAALO COCC(=O)NCc1cc2n(n1)CCC[N@@H+](Cc1ccc(F)cc1Cl)C2 ZINC000082160286 211164291 /nfs/dbraw/zinc/16/42/91/211164291.db2.gz FTNNYOAZNAJANR-UHFFFAOYSA-N 1 2 380.851 2.344 50 0 GEAALO O=C(Nc1ccccc1)[C@@H]1C[N@H+](Cc2cnc(-c3ccccn3)nc2)CCO1 ZINC000072420280 211116112 /nfs/dbraw/zinc/11/61/12/211116112.db2.gz PMLREMKFPFHCRH-IBGZPJMESA-N 1 2 375.432 2.378 50 0 GEAALO O=C(Nc1ccccc1)[C@@H]1C[N@@H+](Cc2cnc(-c3ccccn3)nc2)CCO1 ZINC000072420280 211116116 /nfs/dbraw/zinc/11/61/16/211116116.db2.gz PMLREMKFPFHCRH-IBGZPJMESA-N 1 2 375.432 2.378 50 0 GEAALO C[C@@H](NC(=O)c1cccc2c1CN(CCc1cn(C)c[nH+]1)C2=O)C(F)(F)F ZINC000072418614 211115812 /nfs/dbraw/zinc/11/58/12/211115812.db2.gz WUTRAIZHJKPOJB-LLVKDONJSA-N 1 2 380.370 2.299 50 0 GEAALO Cc1ccc(C[N@@H+]2CCN(C(=O)c3n[nH]c4ccc(C)cc43)C[C@@H]2CCO)o1 ZINC000072423083 211115374 /nfs/dbraw/zinc/11/53/74/211115374.db2.gz GHEDJANCQSOBCQ-INIZCTEOSA-N 1 2 382.464 2.482 50 0 GEAALO Cc1ccc(C[N@H+]2CCN(C(=O)c3n[nH]c4ccc(C)cc43)C[C@@H]2CCO)o1 ZINC000072423083 211115377 /nfs/dbraw/zinc/11/53/77/211115377.db2.gz GHEDJANCQSOBCQ-INIZCTEOSA-N 1 2 382.464 2.482 50 0 GEAALO O=C(NCCNc1cc(N2CCCC2)nc[nH+]1)c1cc2ccccc2oc1=O ZINC000077137411 211127693 /nfs/dbraw/zinc/12/76/93/211127693.db2.gz DWASRGCVRMWEGE-UHFFFAOYSA-N 1 2 379.420 2.025 50 0 GEAALO O=C(NCCNc1cc(N2CCCC2)[nH+]cn1)c1cc2ccccc2oc1=O ZINC000077137411 211127694 /nfs/dbraw/zinc/12/76/94/211127694.db2.gz DWASRGCVRMWEGE-UHFFFAOYSA-N 1 2 379.420 2.025 50 0 GEAALO COc1ccc(C[N@@H+]2CCN(C(=O)c3cccc(O)c3)C[C@@H]2CCO)cc1C ZINC000072447966 211120727 /nfs/dbraw/zinc/12/07/27/211120727.db2.gz FYRYUVBHEWWFCB-IBGZPJMESA-N 1 2 384.476 2.418 50 0 GEAALO COc1ccc(C[N@H+]2CCN(C(=O)c3cccc(O)c3)C[C@@H]2CCO)cc1C ZINC000072447966 211120730 /nfs/dbraw/zinc/12/07/30/211120730.db2.gz FYRYUVBHEWWFCB-IBGZPJMESA-N 1 2 384.476 2.418 50 0 GEAALO O=S(=O)(c1ccccc1)N1CC[NH+](Cc2cccc(Cn3cccn3)c2)CC1 ZINC000072143085 211075672 /nfs/dbraw/zinc/07/56/72/211075672.db2.gz OFPPAAVQHGGXJG-UHFFFAOYSA-N 1 2 396.516 2.438 50 0 GEAALO Cn1ccnc1SCc1ccc(C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)o1 ZINC000071804317 211065231 /nfs/dbraw/zinc/06/52/31/211065231.db2.gz BFILWYGYTKQWOI-OAHLLOKOSA-N 1 2 390.509 2.242 50 0 GEAALO COc1[nH]c2cn(C3CCCC3)c(=O)c-2cc1CNC(=O)[C@@H](C)n1cc[nH+]c1 ZINC000071746929 211052909 /nfs/dbraw/zinc/05/29/09/211052909.db2.gz YYAJTGQLPJBZIZ-CYBMUJFWSA-N 1 2 383.452 2.063 50 0 GEAALO COc1ccc(NC(=O)N2CCCSC[C@H]2C[NH+]2CCOCC2)cc1OC ZINC000090609182 211037015 /nfs/dbraw/zinc/03/70/15/211037015.db2.gz YYGWYONOBJWEJU-MRXNPFEDSA-N 1 2 395.525 2.375 50 0 GEAALO O=C(C[N@H+]1CCC[C@@H](O)C1)Nc1ccnn1Cc1ccccc1Br ZINC000067960821 211031176 /nfs/dbraw/zinc/03/11/76/211031176.db2.gz PDHAKFNNDMTMIV-CQSZACIVSA-N 1 2 393.285 2.089 50 0 GEAALO O=C(C[N@@H+]1CCC[C@@H](O)C1)Nc1ccnn1Cc1ccccc1Br ZINC000067960821 211031180 /nfs/dbraw/zinc/03/11/80/211031180.db2.gz PDHAKFNNDMTMIV-CQSZACIVSA-N 1 2 393.285 2.089 50 0 GEAALO CCn1cc(C(=O)NCc2cccnc2-n2cc[nH+]c2)c(=O)c2ccc(C)nc21 ZINC000067817249 211023331 /nfs/dbraw/zinc/02/33/31/211023331.db2.gz HBGYRXQRGDNMGD-UHFFFAOYSA-N 1 2 388.431 2.236 50 0 GEAALO COc1cc(C(=O)NCc2ccc[nH+]c2N(C)CCc2ccccn2)ccn1 ZINC000067726299 211019888 /nfs/dbraw/zinc/01/98/88/211019888.db2.gz FVZUXISTBDYFII-UHFFFAOYSA-N 1 2 377.448 2.489 50 0 GEAALO COc1ccc(F)c(CN2CCC[C@](O)(C[N@H+]3CCCC(F)(F)C3)C2=O)c1 ZINC000067713229 211017557 /nfs/dbraw/zinc/01/75/57/211017557.db2.gz UQRBJVYOBWNONW-SFHVURJKSA-N 1 2 386.414 2.419 50 0 GEAALO COc1ccc(F)c(CN2CCC[C@](O)(C[N@@H+]3CCCC(F)(F)C3)C2=O)c1 ZINC000067713229 211017554 /nfs/dbraw/zinc/01/75/54/211017554.db2.gz UQRBJVYOBWNONW-SFHVURJKSA-N 1 2 386.414 2.419 50 0 GEAALO COCC1(C(=O)NCc2cccnc2N2CCN(c3cccc[nH+]3)CC2)CCC1 ZINC000067491043 211009760 /nfs/dbraw/zinc/00/97/60/211009760.db2.gz DCPLFVHRCUTNHP-UHFFFAOYSA-N 1 2 395.507 2.236 50 0 GEAALO CCOc1ccc(NC(=O)N2CCN(c3cc(-n4cc[nH+]c4)ncn3)CC2)cc1 ZINC000067621898 211012773 /nfs/dbraw/zinc/01/27/73/211012773.db2.gz YROAOSXKYIZJIE-UHFFFAOYSA-N 1 2 393.451 2.415 50 0 GEAALO O=C(c1ccc2nccnc2c1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000021902146 210399389 /nfs/dbraw/zinc/39/93/89/210399389.db2.gz LYQYFKMAVUMODW-UHFFFAOYSA-N 1 2 376.416 2.317 50 0 GEAALO CC[C@@H](C)C(=O)NCc1nnc2n1CC[N@@H+](Cc1cccc(F)c1F)CC2 ZINC000020994667 210372317 /nfs/dbraw/zinc/37/23/17/210372317.db2.gz PHBMHFAUZMKNGB-CYBMUJFWSA-N 1 2 377.439 2.277 50 0 GEAALO CC[C@@H](C)C(=O)NCc1nnc2n1CC[N@H+](Cc1cccc(F)c1F)CC2 ZINC000020994667 210372322 /nfs/dbraw/zinc/37/23/22/210372322.db2.gz PHBMHFAUZMKNGB-CYBMUJFWSA-N 1 2 377.439 2.277 50 0 GEAALO O=C(C[C@@H](c1ccccc1)c1ccc2c(c1)OCO2)NCC[NH+]1CCOCC1 ZINC000020999102 210374820 /nfs/dbraw/zinc/37/48/20/210374820.db2.gz DBIKFJGHURDIJH-IBGZPJMESA-N 1 2 382.460 2.386 50 0 GEAALO Cc1oc(-c2cc(F)ccc2F)nc1CN1CC[NH+](CC(=O)N(C)C)CC1 ZINC000020600718 210349292 /nfs/dbraw/zinc/34/92/92/210349292.db2.gz ZHOCNJKFUUZYPH-UHFFFAOYSA-N 1 2 378.423 2.134 50 0 GEAALO CCn1c[nH+]cc1CNC(=O)c1ccc([C@@H]2CCCN2C(=O)COC)s1 ZINC000020572952 210348090 /nfs/dbraw/zinc/34/80/90/210348090.db2.gz DHFJUJGQBYABEU-AWEZNQCLSA-N 1 2 376.482 2.204 50 0 GEAALO COC(=O)C1C(C[NH+]2CCSCC2)=NC(=O)N[C@H]1c1cc(C)ccc1C ZINC000020512065 210344113 /nfs/dbraw/zinc/34/41/13/210344113.db2.gz HFTJLBFOGHACBY-KRWDZBQOSA-N 1 2 375.494 2.133 50 0 GEAALO C[N@@H+]1CCc2c(sc3nc(SCC(=O)Nc4nccs4)nc(N)c23)C1 ZINC000020357877 210328852 /nfs/dbraw/zinc/32/88/52/210328852.db2.gz ZXSHCKRPSVGGOB-UHFFFAOYSA-N 1 2 392.535 2.449 50 0 GEAALO C[N@H+]1CCc2c(sc3nc(SCC(=O)Nc4nccs4)nc(N)c23)C1 ZINC000020357877 210328855 /nfs/dbraw/zinc/32/88/55/210328855.db2.gz ZXSHCKRPSVGGOB-UHFFFAOYSA-N 1 2 392.535 2.449 50 0 GEAALO O[C@@H](COc1ccccc1F)CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000020295344 210326958 /nfs/dbraw/zinc/32/69/58/210326958.db2.gz XFAGIHKEQXDIDC-QGZVFWFLSA-N 1 2 388.439 2.112 50 0 GEAALO O=C(c1nc2sccn2c1C[N@H+]1CCNC(=O)CC1)N1CCCCCCC1 ZINC000020448889 210335780 /nfs/dbraw/zinc/33/57/80/210335780.db2.gz WAYRQSVCZJVCAZ-UHFFFAOYSA-N 1 2 389.525 2.124 50 0 GEAALO O=C(c1nc2sccn2c1C[N@@H+]1CCNC(=O)CC1)N1CCCCCCC1 ZINC000020448889 210335775 /nfs/dbraw/zinc/33/57/75/210335775.db2.gz WAYRQSVCZJVCAZ-UHFFFAOYSA-N 1 2 389.525 2.124 50 0 GEAALO CC(=O)O[C@@H](C(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1)c1ccccc1 ZINC000019973665 210310381 /nfs/dbraw/zinc/31/03/81/210310381.db2.gz ZGVSTTZXYVOUFS-OAQYLSRUSA-N 1 2 396.443 2.364 50 0 GEAALO CC(=O)N1CC[NH+](C[C@@H](O)COc2ccc(OCc3ccccc3)cc2)CC1 ZINC000019999242 210309961 /nfs/dbraw/zinc/30/99/61/210309961.db2.gz AVCNTFMFEZYEHL-HXUWFJFHSA-N 1 2 384.476 2.169 50 0 GEAALO Cc1ccc(-n2c3c(cc(C(=O)N4CC[NH+](C)CC4)c2=O)C(=O)CCC3)cc1 ZINC000020026806 210312314 /nfs/dbraw/zinc/31/23/14/210312314.db2.gz JYMRBXRFHUGJBJ-UHFFFAOYSA-N 1 2 379.460 2.053 50 0 GEAALO O=C1C[C@@H]([NH+]2CCN(c3ccc(F)cc3)CC2)C(=O)N1c1ccc2c(c1)OCO2 ZINC000019877419 210305516 /nfs/dbraw/zinc/30/55/16/210305516.db2.gz YEFOOTYVNRCBRG-QGZVFWFLSA-N 1 2 397.406 2.009 50 0 GEAALO C[NH+]1CCN(C2=C(Cl)C(=O)N(c3ccc(Br)cc3)C2=O)CC1 ZINC000019790358 210295635 /nfs/dbraw/zinc/29/56/35/210295635.db2.gz AXFVNJMSBWJMRY-UHFFFAOYSA-N 1 2 384.661 2.020 50 0 GEAALO CC(=O)N[C@H](CC(=O)NCc1ccc(N2CCOCC2)[nH+]c1)c1ccc(C)cc1 ZINC000011130189 221110911 /nfs/dbraw/zinc/11/09/11/221110911.db2.gz CNVMVUYOAOLSQW-HXUWFJFHSA-N 1 2 396.491 2.110 50 0 GEAALO O=C(Nc1ccc2c[nH]nc2c1)[C@@H]1CCCN(c2ccc(-n3cc[nH+]c3)nn2)C1 ZINC000062022886 136156376 /nfs/dbraw/zinc/15/63/76/136156376.db2.gz ZTDPWQTZUAXKMV-OAHLLOKOSA-N 1 2 388.435 2.394 50 0 GEAALO C[C@@H](NC(=O)CCCc1ccccc1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000065212755 136160090 /nfs/dbraw/zinc/16/00/90/136160090.db2.gz MHBOMEMQGUBQFU-GOSISDBHSA-N 1 2 380.492 2.258 50 0 GEAALO O=C(NCc1cccnc1)C1CCN(c2cc(N3CCCCC3)[nH+]cn2)CC1 ZINC000065237155 136160927 /nfs/dbraw/zinc/16/09/27/136160927.db2.gz LHXQKDBRANCMKT-UHFFFAOYSA-N 1 2 380.496 2.395 50 0 GEAALO O=C(NCc1cccnc1)C1CCN(c2cc(N3CCCCC3)nc[nH+]2)CC1 ZINC000065237155 136160928 /nfs/dbraw/zinc/16/09/28/136160928.db2.gz LHXQKDBRANCMKT-UHFFFAOYSA-N 1 2 380.496 2.395 50 0 GEAALO COc1cccc(CNC(=O)CCc2cc[nH+]c(N3CCOCC3)c2)c1OC ZINC000065269768 136162202 /nfs/dbraw/zinc/16/22/02/136162202.db2.gz OORRRDGRYJOTIX-UHFFFAOYSA-N 1 2 385.464 2.184 50 0 GEAALO Cc1noc2ncnc(N3CC[N@H+](Cc4ccc(F)c(F)c4)[C@H](CCO)C3)c12 ZINC000072430978 136170062 /nfs/dbraw/zinc/17/00/62/136170062.db2.gz OBROAQDODIUNEL-CQSZACIVSA-N 1 2 389.406 2.278 50 0 GEAALO Cc1noc2ncnc(N3CC[N@@H+](Cc4ccc(F)c(F)c4)[C@H](CCO)C3)c12 ZINC000072430978 136170063 /nfs/dbraw/zinc/17/00/63/136170063.db2.gz OBROAQDODIUNEL-CQSZACIVSA-N 1 2 389.406 2.278 50 0 GEAALO O=C(CCc1cn2ccccc2[nH+]1)N1CCN(c2ccc3n[nH]cc3c2)C(=O)C1 ZINC000082126111 136173869 /nfs/dbraw/zinc/17/38/69/136173869.db2.gz VKGCUNMHDYSWKF-UHFFFAOYSA-N 1 2 388.431 2.019 50 0 GEAALO Cc1nc(N2CCN(c3cc(=O)[nH]nc3-c3ccccc3)CC2)c(C)c(C)[nH+]1 ZINC000091468438 136176585 /nfs/dbraw/zinc/17/65/85/136176585.db2.gz VUMOCZPUNRWFBD-UHFFFAOYSA-N 1 2 376.464 2.479 50 0 GEAALO O=C(NC[C@H]1CCCN(c2cccc[nH+]2)C1)Nc1cnc2sccn2c1=O ZINC000096149716 136184524 /nfs/dbraw/zinc/18/45/24/136184524.db2.gz ARQRPFWBPPVIAU-CYBMUJFWSA-N 1 2 384.465 2.189 50 0 GEAALO COc1ccc(NC(=O)N2CCN(c3cc(-n4cc[nH+]c4)ncn3)CC2)cc1 ZINC000067602035 222149313 /nfs/dbraw/zinc/14/93/13/222149313.db2.gz SDBAFWBPNQWYTQ-UHFFFAOYSA-N 1 2 379.424 2.025 50 0 GEAALO Cc1nc(CCNC(=O)N2CCN(c3cccc[nH+]3)CC2)nc2c1CCCC2 ZINC000426658456 534334248 /nfs/dbraw/zinc/33/42/48/534334248.db2.gz PXRMRLXDNVQXFE-UHFFFAOYSA-N 1 2 380.496 2.133 50 0 GEAALO O=C(Cn1cc[nH+]c1)N1CCC[C@@H]1c1ccc(C(=O)N2CCCOCC2)s1 ZINC000023505462 527392824 /nfs/dbraw/zinc/39/28/24/527392824.db2.gz XFLQQLGBVKEFPZ-OAHLLOKOSA-N 1 2 388.493 2.171 50 0 GEAALO CCCNC(=O)CNC(=O)c1csc2c1CC[N@H+](Cc1c(C)noc1C)C2 ZINC000426593853 528401835 /nfs/dbraw/zinc/40/18/35/528401835.db2.gz SYEOCZXMMYQLBN-UHFFFAOYSA-N 1 2 390.509 2.167 50 0 GEAALO CCCNC(=O)CNC(=O)c1csc2c1CC[N@@H+](Cc1c(C)noc1C)C2 ZINC000426593853 528401839 /nfs/dbraw/zinc/40/18/39/528401839.db2.gz SYEOCZXMMYQLBN-UHFFFAOYSA-N 1 2 390.509 2.167 50 0 GEAALO CCCC[N@H+](C)CCn1c(=O)c2cc(N3CCOCC3)ccc2[nH]c1=S ZINC000020644531 535226468 /nfs/dbraw/zinc/22/64/68/535226468.db2.gz BFAQHOKYGODPBW-UHFFFAOYSA-N 1 2 376.526 2.254 50 0 GEAALO CCCC[N@@H+](C)CCn1c(=O)c2cc(N3CCOCC3)ccc2[nH]c1=S ZINC000020644531 535226472 /nfs/dbraw/zinc/22/64/72/535226472.db2.gz BFAQHOKYGODPBW-UHFFFAOYSA-N 1 2 376.526 2.254 50 0 GEAALO CCOc1ccccc1NC(=O)N1CCN(c2cc(-n3cc[nH+]c3)ncn2)CC1 ZINC000072436815 535527321 /nfs/dbraw/zinc/52/73/21/535527321.db2.gz MPZBDDYITIWGBF-UHFFFAOYSA-N 1 2 393.451 2.415 50 0 GEAALO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1cnc(OCC(F)(F)F)c(Cl)c1 ZINC000048221354 570221144 /nfs/dbraw/zinc/22/11/44/570221144.db2.gz JAWGBOJLZJXBLT-JTQLQIEISA-N 1 2 381.782 2.127 50 0 GEAALO C[C@H](C[NH+]1CCOCC1)NC(=O)c1cnc(OCC(F)(F)F)c(Cl)c1 ZINC000048221355 570221169 /nfs/dbraw/zinc/22/11/69/570221169.db2.gz JAWGBOJLZJXBLT-SNVBAGLBSA-N 1 2 381.782 2.127 50 0 GEAALO C[C@@H](C(=O)NC(=O)NCc1ccccc1)[NH+]1CCC(C(=O)C(F)(F)F)CC1 ZINC000186013359 570275835 /nfs/dbraw/zinc/27/58/35/570275835.db2.gz LNISLYOZKQGIDO-LBPRGKRZSA-N 1 2 385.386 2.244 50 0 GEAALO CCN(CC)C(=O)C[N@H+](C)CC(=O)N[C@@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000012900408 570287871 /nfs/dbraw/zinc/28/78/71/570287871.db2.gz BVYCQAUHRTWUCA-OAQYLSRUSA-N 1 2 391.512 2.071 50 0 GEAALO CCN(CC)C(=O)C[N@@H+](C)CC(=O)N[C@@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000012900408 570287874 /nfs/dbraw/zinc/28/78/74/570287874.db2.gz BVYCQAUHRTWUCA-OAQYLSRUSA-N 1 2 391.512 2.071 50 0 GEAALO O=C(C[NH+]1CCN(c2ccc(O)cc2)CC1)Nc1ccccc1N1CCCC1=O ZINC000022057441 570303563 /nfs/dbraw/zinc/30/35/63/570303563.db2.gz DNEDUVFTYWNARR-UHFFFAOYSA-N 1 2 394.475 2.280 50 0 GEAALO COC1CC[NH+](C2CN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000575607637 570330458 /nfs/dbraw/zinc/33/04/58/570330458.db2.gz VMOLQUWCHGNWAE-UHFFFAOYSA-N 1 2 378.416 2.189 50 0 GEAALO C[C@@H](C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)n1nc2c(cc1=O)CCC2 ZINC000575609259 570332449 /nfs/dbraw/zinc/33/24/49/570332449.db2.gz SVRHPIDVFGHBMB-YOCVDRLZSA-N 1 2 392.503 2.151 50 0 GEAALO Cn1c(SCC(=O)N2CCN(c3cccc[nH+]3)CC2)nnc1-c1ccccc1 ZINC000007329707 570332508 /nfs/dbraw/zinc/33/25/08/570332508.db2.gz OSDNNLWTGBWFFB-UHFFFAOYSA-N 1 2 394.504 2.318 50 0 GEAALO O=C(C[N@@H+]1CCC[C@H]1c1cccs1)NN1C(=O)NC2(CCCCC2)C1=O ZINC000007362656 570334077 /nfs/dbraw/zinc/33/40/77/570334077.db2.gz JDMVAVWKGGKFHC-ZDUSSCGKSA-N 1 2 376.482 2.171 50 0 GEAALO O=C(C[N@H+]1CCC[C@H]1c1cccs1)NN1C(=O)NC2(CCCCC2)C1=O ZINC000007362656 570334081 /nfs/dbraw/zinc/33/40/81/570334081.db2.gz JDMVAVWKGGKFHC-ZDUSSCGKSA-N 1 2 376.482 2.171 50 0 GEAALO COc1ccc(C[NH+]2CCN(Cc3nc4ccccc4c(=O)[nH]3)CC2)cc1F ZINC000022914969 570334818 /nfs/dbraw/zinc/33/48/18/570334818.db2.gz DHABJZRIFKEXLN-UHFFFAOYSA-N 1 2 382.439 2.389 50 0 GEAALO COCC[NH+]1CCN(C(=O)c2nnc(N3CCCCC3)c3ccccc32)CC1 ZINC000034837264 570335931 /nfs/dbraw/zinc/33/59/31/570335931.db2.gz FDGUCWNWOCQWAC-UHFFFAOYSA-N 1 2 383.496 2.024 50 0 GEAALO O=C(C[NH+]1CCN(c2ccccc2)CC1)N1CCN(Cc2ccccc2F)CC1 ZINC000023694026 570369102 /nfs/dbraw/zinc/36/91/02/570369102.db2.gz YTGHLGAIXZAGPJ-UHFFFAOYSA-N 1 2 396.510 2.292 50 0 GEAALO O=C(CSc1nnc2n1CCCCC2)N1CC[NH+](Cc2ccccc2)CC1 ZINC000023718326 570370102 /nfs/dbraw/zinc/37/01/02/570370102.db2.gz RUCJXKQZEPDKMY-UHFFFAOYSA-N 1 2 385.537 2.441 50 0 GEAALO O=C(CSc1nnnn1C1CCCC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000023718452 570370213 /nfs/dbraw/zinc/37/02/13/570370213.db2.gz RXYWKUAVYHWFDC-UHFFFAOYSA-N 1 2 386.525 2.225 50 0 GEAALO COc1ccc(S(=O)(=O)N2CC[NH+](CCOc3cccc(C)c3)CC2)cc1 ZINC000023754778 570371655 /nfs/dbraw/zinc/37/16/55/570371655.db2.gz YWEDKQWZHFAVLY-UHFFFAOYSA-N 1 2 390.505 2.389 50 0 GEAALO Cc1ccc(Cn2c(C[N@H+]3CCC[C@@H](C)C3)nc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000004930209 570372006 /nfs/dbraw/zinc/37/20/06/570372006.db2.gz BGXMKEJLRDITFI-MRXNPFEDSA-N 1 2 395.507 2.022 50 0 GEAALO Cc1ccc(Cn2c(C[N@@H+]3CCC[C@@H](C)C3)nc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000004930209 570372008 /nfs/dbraw/zinc/37/20/08/570372008.db2.gz BGXMKEJLRDITFI-MRXNPFEDSA-N 1 2 395.507 2.022 50 0 GEAALO Cc1cc(-c2nn(C)c(Cl)c2C[N@H+]2CCn3nc([C@H](C)O)cc3C2)no1 ZINC000219635731 570372022 /nfs/dbraw/zinc/37/20/22/570372022.db2.gz FIISXTXMDLPYLA-NSHDSACASA-N 1 2 376.848 2.303 50 0 GEAALO Cc1cc(-c2nn(C)c(Cl)c2C[N@@H+]2CCn3nc([C@H](C)O)cc3C2)no1 ZINC000219635731 570372026 /nfs/dbraw/zinc/37/20/26/570372026.db2.gz FIISXTXMDLPYLA-NSHDSACASA-N 1 2 376.848 2.303 50 0 GEAALO COc1ccc(C[NH+]2CCN(C(=O)CCNC(=O)c3ccccc3)CC2)cc1 ZINC000024307377 570381838 /nfs/dbraw/zinc/38/18/38/570381838.db2.gz ZWBFKKLWNDWCHR-UHFFFAOYSA-N 1 2 381.476 2.160 50 0 GEAALO CCOC(=O)C1=C(C[N@H+](C)CCOc2ccccc2F)NC(=O)N[C@H]1CC ZINC000024338260 570382558 /nfs/dbraw/zinc/38/25/58/570382558.db2.gz XRMACJQJGMTKPK-AWEZNQCLSA-N 1 2 379.432 2.045 50 0 GEAALO CCOC(=O)C1=C(C[N@@H+](C)CCOc2ccccc2F)NC(=O)N[C@H]1CC ZINC000024338260 570382561 /nfs/dbraw/zinc/38/25/61/570382561.db2.gz XRMACJQJGMTKPK-AWEZNQCLSA-N 1 2 379.432 2.045 50 0 GEAALO O=C1C[C@H]([NH+]2CCN(c3ccc(F)cc3)CC2)C(=O)N1c1ccc2c(c1)OCO2 ZINC000004622945 570388328 /nfs/dbraw/zinc/38/83/28/570388328.db2.gz YEFOOTYVNRCBRG-KRWDZBQOSA-N 1 2 397.406 2.009 50 0 GEAALO Cc1[nH]c2ccccc2c1CC(=O)N1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC000024637939 570388410 /nfs/dbraw/zinc/38/84/10/570388410.db2.gz CJNDHBSEMUWQBB-UHFFFAOYSA-N 1 2 382.508 2.176 50 0 GEAALO Cc1cnc2c(cccc2S(=O)(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)c1 ZINC000024865217 570396694 /nfs/dbraw/zinc/39/66/94/570396694.db2.gz ASPVMHZQKARDAV-QGZVFWFLSA-N 1 2 377.510 2.178 50 0 GEAALO CC(C)C(=O)N1CC[NH+](CCN2C(=O)c3cccc4cccc(c43)C2=O)CC1 ZINC000033686575 570396995 /nfs/dbraw/zinc/39/69/95/570396995.db2.gz LNVDSORPFIAPEQ-UHFFFAOYSA-N 1 2 379.460 2.236 50 0 GEAALO COC(=O)c1ncoc1-c1ccccc1C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000033131185 570401901 /nfs/dbraw/zinc/40/19/01/570401901.db2.gz PTJGKRBENGBDKS-UHFFFAOYSA-N 1 2 392.415 2.486 50 0 GEAALO CCCn1nc(C(=O)N2CCN(c3cccc[nH+]3)CC2)c2ccccc2c1=O ZINC000006482258 570448637 /nfs/dbraw/zinc/44/86/37/570448637.db2.gz XASCWCONXIIDHV-UHFFFAOYSA-N 1 2 377.448 2.164 50 0 GEAALO O=S(=O)(NCc1ccc(N2CCCC2)[nH+]c1)c1ccc2c(c1)OCCCO2 ZINC000028040950 570449866 /nfs/dbraw/zinc/44/98/66/570449866.db2.gz CDCWKAWNOICPKZ-UHFFFAOYSA-N 1 2 389.477 2.322 50 0 GEAALO O=C(NCc1ccccc1C[NH+]1CCOCC1)c1cc2ccccc2c(=O)[nH]1 ZINC000029855153 570481250 /nfs/dbraw/zinc/48/12/50/570481250.db2.gz UYXGBKOGNNWAOO-UHFFFAOYSA-N 1 2 377.444 2.290 50 0 GEAALO CCOc1ccccc1-c1noc(C[N@@H+]2CCCC[C@@H]2CNS(C)(=O)=O)n1 ZINC000030589687 570491889 /nfs/dbraw/zinc/49/18/89/570491889.db2.gz DYALVYZLSICMNB-CQSZACIVSA-N 1 2 394.497 2.039 50 0 GEAALO CCOc1ccccc1-c1noc(C[N@H+]2CCCC[C@@H]2CNS(C)(=O)=O)n1 ZINC000030589687 570491893 /nfs/dbraw/zinc/49/18/93/570491893.db2.gz DYALVYZLSICMNB-CQSZACIVSA-N 1 2 394.497 2.039 50 0 GEAALO O=C(CN1C(=O)S/C(=C\c2ccccc2F)C1=O)NCCCn1cc[nH+]c1 ZINC000006660402 570521758 /nfs/dbraw/zinc/52/17/58/570521758.db2.gz MJYQSISLBZRNON-GDNBJRDFSA-N 1 2 388.424 2.265 50 0 GEAALO CCOc1ccc(Br)cc1S(=O)(=O)N1CC[NH+](CC)CC1 ZINC000034695769 570543282 /nfs/dbraw/zinc/54/32/82/570543282.db2.gz YVFFKDUCMLLGJI-UHFFFAOYSA-N 1 2 377.304 2.174 50 0 GEAALO COCC[NH+]1CCN(C(=O)c2nc(-c3ccco3)n(-c3cccc(C)c3)n2)CC1 ZINC000034911548 570547191 /nfs/dbraw/zinc/54/71/91/570547191.db2.gz VSBFMQQYDOZJMC-UHFFFAOYSA-N 1 2 395.463 2.240 50 0 GEAALO CC(C)(C)NC(=O)C(=O)NC[C@@H](c1cccnc1)[N@@H+]1CCc2ccccc2C1 ZINC000022906789 570563566 /nfs/dbraw/zinc/56/35/66/570563566.db2.gz NSGISAARJUJTSO-IBGZPJMESA-N 1 2 380.492 2.212 50 0 GEAALO CC(C)(C)NC(=O)C(=O)NC[C@@H](c1cccnc1)[N@H+]1CCc2ccccc2C1 ZINC000022906789 570563568 /nfs/dbraw/zinc/56/35/68/570563568.db2.gz NSGISAARJUJTSO-IBGZPJMESA-N 1 2 380.492 2.212 50 0 GEAALO Cc1ccc(NC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)cc1C ZINC000038528108 570579603 /nfs/dbraw/zinc/57/96/03/570579603.db2.gz YYSUMXHXFIHFQD-UHFFFAOYSA-N 1 2 396.495 2.284 50 0 GEAALO Cc1ccc(NC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)cc1C ZINC000038528108 570579608 /nfs/dbraw/zinc/57/96/08/570579608.db2.gz YYSUMXHXFIHFQD-UHFFFAOYSA-N 1 2 396.495 2.284 50 0 GEAALO COc1ccc(NC(=O)N2CCN(c3cc(N4CCCC4)[nH+]cn3)CC2)cc1 ZINC000038528324 570579822 /nfs/dbraw/zinc/57/98/22/570579822.db2.gz FSQZDPUSKXQLCE-UHFFFAOYSA-N 1 2 382.468 2.440 50 0 GEAALO COc1ccc(NC(=O)N2CCN(c3cc(N4CCCC4)nc[nH+]3)CC2)cc1 ZINC000038528324 570579824 /nfs/dbraw/zinc/57/98/24/570579824.db2.gz FSQZDPUSKXQLCE-UHFFFAOYSA-N 1 2 382.468 2.440 50 0 GEAALO CCNC(=O)N1CC[NH+]([C@@H](C(=O)NCCc2ccccc2)C2CCCC2)CC1 ZINC000036310483 570608961 /nfs/dbraw/zinc/60/89/61/570608961.db2.gz WOFOGDGOUUWMEL-HXUWFJFHSA-N 1 2 386.540 2.251 50 0 GEAALO O=S1(=O)CC[C@@H]([N@@H+](Cc2ccco2)C[C@@H](O)COc2ccc(Cl)cc2)C1 ZINC000012389749 570638064 /nfs/dbraw/zinc/63/80/64/570638064.db2.gz QIRXQZKRLNYWBK-HZPDHXFCSA-N 1 2 399.896 2.362 50 0 GEAALO O=S1(=O)CC[C@@H]([N@H+](Cc2ccco2)C[C@@H](O)COc2ccc(Cl)cc2)C1 ZINC000012389749 570638067 /nfs/dbraw/zinc/63/80/67/570638067.db2.gz QIRXQZKRLNYWBK-HZPDHXFCSA-N 1 2 399.896 2.362 50 0 GEAALO O=C(C[NH+]1CCN(c2ccccc2)CC1)Nc1ccc(N2CCOCC2)cc1 ZINC000052537765 570672110 /nfs/dbraw/zinc/67/21/10/570672110.db2.gz GVPDJNFELCYCHX-UHFFFAOYSA-N 1 2 380.492 2.284 50 0 GEAALO CC[C@@H]1c2ccsc2CC[N@H+]1CC(=O)N1C[C@H](C(N)=O)Oc2ccccc21 ZINC000036398647 570683252 /nfs/dbraw/zinc/68/32/52/570683252.db2.gz JJZZVMOFGRIBRW-RHSMWYFYSA-N 1 2 385.489 2.337 50 0 GEAALO CC[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)N1C[C@H](C(N)=O)Oc2ccccc21 ZINC000036398647 570683255 /nfs/dbraw/zinc/68/32/55/570683255.db2.gz JJZZVMOFGRIBRW-RHSMWYFYSA-N 1 2 385.489 2.337 50 0 GEAALO O=C(NCC[NH+]1CCN(C(=O)NC2CCCCC2)CC1)NC1CCCCC1 ZINC000055376397 570693292 /nfs/dbraw/zinc/69/32/92/570693292.db2.gz WKHQOUXBQBSIMK-UHFFFAOYSA-N 1 2 379.549 2.278 50 0 GEAALO COC(=O)c1ccccc1NC(=O)C[NH+]1CCN(c2cccc(OC)c2)CC1 ZINC000057851305 570704341 /nfs/dbraw/zinc/70/43/41/570704341.db2.gz JXYBWNIKGCMQAH-UHFFFAOYSA-N 1 2 383.448 2.243 50 0 GEAALO CCOC(=O)C1=C(C[N@H+](CC)Cc2ccc(OC)c(F)c2)NC(=O)N[C@@H]1C ZINC000058161856 570712747 /nfs/dbraw/zinc/71/27/47/570712747.db2.gz XHZLEIWQPGYNAX-GFCCVEGCSA-N 1 2 379.432 2.175 50 0 GEAALO CCOC(=O)C1=C(C[N@@H+](CC)Cc2ccc(OC)c(F)c2)NC(=O)N[C@@H]1C ZINC000058161856 570712751 /nfs/dbraw/zinc/71/27/51/570712751.db2.gz XHZLEIWQPGYNAX-GFCCVEGCSA-N 1 2 379.432 2.175 50 0 GEAALO Cc1nc(C2([NH2+]CC(=O)NC(=O)NCc3cccs3)CCCCC2)no1 ZINC000058179638 570716883 /nfs/dbraw/zinc/71/68/83/570716883.db2.gz JPZPRMIWQZDCGF-UHFFFAOYSA-N 1 2 377.470 2.215 50 0 GEAALO CS(=O)(=O)NC[C@H]1CCCC[N@@H+]1Cc1nnc(-c2ccccc2Cl)o1 ZINC000059385088 570738382 /nfs/dbraw/zinc/73/83/82/570738382.db2.gz CLCBGJBRLIBBRY-GFCCVEGCSA-N 1 2 384.889 2.294 50 0 GEAALO CS(=O)(=O)NC[C@H]1CCCC[N@H+]1Cc1nnc(-c2ccccc2Cl)o1 ZINC000059385088 570738384 /nfs/dbraw/zinc/73/83/84/570738384.db2.gz CLCBGJBRLIBBRY-GFCCVEGCSA-N 1 2 384.889 2.294 50 0 GEAALO C[N@H+](CC(=O)NN1C(=O)NC2(CCCCC2)C1=O)Cc1ccc(Cl)cc1 ZINC000007015735 570741506 /nfs/dbraw/zinc/74/15/06/570741506.db2.gz JYONVBYDGNRIPV-UHFFFAOYSA-N 1 2 378.860 2.058 50 0 GEAALO C[N@@H+](CC(=O)NN1C(=O)NC2(CCCCC2)C1=O)Cc1ccc(Cl)cc1 ZINC000007015735 570741510 /nfs/dbraw/zinc/74/15/10/570741510.db2.gz JYONVBYDGNRIPV-UHFFFAOYSA-N 1 2 378.860 2.058 50 0 GEAALO O=C(N1CC[NH+](C/C=C/c2ccccc2)CC1)C1(n2cnnn2)CCCCC1 ZINC000061720766 570743200 /nfs/dbraw/zinc/74/32/00/570743200.db2.gz NAAJWIARBCPZCS-JXMROGBWSA-N 1 2 380.496 2.190 50 0 GEAALO Cc1cc(NC(=O)CN2CC[NH+](CCOc3ccc(Cl)cc3)CC2)on1 ZINC000025433679 570751539 /nfs/dbraw/zinc/75/15/39/570751539.db2.gz OQGPETYJVXJBNX-UHFFFAOYSA-N 1 2 378.860 2.272 50 0 GEAALO CC1=C(C(=O)NCc2cccc(C(F)(F)F)c2)[C@@H](c2c[nH+]c[nH]2)NC(=O)N1 ZINC000065383329 570763487 /nfs/dbraw/zinc/76/34/87/570763487.db2.gz ZUWGUFDVXXCBJK-CQSZACIVSA-N 1 2 379.342 2.373 50 0 GEAALO CC1=C(C(=O)NCc2cccc(C(F)(F)F)c2)[C@@H](c2c[nH]c[nH+]2)NC(=O)N1 ZINC000065383329 570763489 /nfs/dbraw/zinc/76/34/89/570763489.db2.gz ZUWGUFDVXXCBJK-CQSZACIVSA-N 1 2 379.342 2.373 50 0 GEAALO COCc1nnc(NC(=O)C[N@H+](C)[C@H](C)c2ccc3c(c2)OCCO3)s1 ZINC000065531466 570772202 /nfs/dbraw/zinc/77/22/02/570772202.db2.gz MKEWBIJCXVPZHE-LLVKDONJSA-N 1 2 378.454 2.087 50 0 GEAALO COCc1nnc(NC(=O)C[N@@H+](C)[C@H](C)c2ccc3c(c2)OCCO3)s1 ZINC000065531466 570772203 /nfs/dbraw/zinc/77/22/03/570772203.db2.gz MKEWBIJCXVPZHE-LLVKDONJSA-N 1 2 378.454 2.087 50 0 GEAALO CCN(CC)c1[nH+]cnc2c1cnn2CC(=O)NCc1cc(OC)cc(OC)c1 ZINC000065295985 570786916 /nfs/dbraw/zinc/78/69/16/570786916.db2.gz OFLACVJCXKUBNT-UHFFFAOYSA-N 1 2 398.467 2.006 50 0 GEAALO CC(=O)CC(C)(C)NC(=O)CC[NH+]1CCN(c2ccc(C(C)=O)cc2F)CC1 ZINC000032797411 570819906 /nfs/dbraw/zinc/81/99/06/570819906.db2.gz QXEWEJOYMXHEBU-UHFFFAOYSA-N 1 2 391.487 2.414 50 0 GEAALO C[C@@H]1CN(S(=O)(=O)N[C@@H](c2[nH+]ccn2C)c2ccc(Cl)cc2)C[C@H](C)O1 ZINC000012507210 570823159 /nfs/dbraw/zinc/82/31/59/570823159.db2.gz KKKPDZSCNVDXCQ-DVOMOZLQSA-N 1 2 398.916 2.107 50 0 GEAALO Cc1cccn2cc(COC(=O)c3ccc(Cl)c(S(N)(=O)=O)c3)[nH+]c12 ZINC000012520022 570826623 /nfs/dbraw/zinc/82/66/23/570826623.db2.gz VNDNUZPABBPGPW-UHFFFAOYSA-N 1 2 379.825 2.301 50 0 GEAALO O=C(C[NH+]1CCN(c2cccc(Cl)c2)CC1)NC(=O)NCc1ccco1 ZINC000037034197 570834742 /nfs/dbraw/zinc/83/47/42/570834742.db2.gz QBTTUIZYBLUXLD-UHFFFAOYSA-N 1 2 376.844 2.081 50 0 GEAALO O=C(c1ccc2n[nH]nc2c1)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000012540870 570840609 /nfs/dbraw/zinc/84/06/09/570840609.db2.gz WKRGEJXIWHZWPN-UHFFFAOYSA-N 1 2 385.855 2.448 50 0 GEAALO COc1ccccc1[C@@H](NC(=O)[C@H]1COc2ccccc2O1)c1[nH+]ccn1C ZINC000032842364 570851097 /nfs/dbraw/zinc/85/10/97/570851097.db2.gz PIDVVAGQFBYWCC-RTBURBONSA-N 1 2 379.416 2.474 50 0 GEAALO COc1ccc(Cl)cc1NC(=O)CN1CC[NH+](Cc2cc(C)no2)CC1 ZINC000022251250 570884449 /nfs/dbraw/zinc/88/44/49/570884449.db2.gz QPBSGNYKFCJCJT-UHFFFAOYSA-N 1 2 378.860 2.401 50 0 GEAALO CN(Cc1n[nH]c2c1CCC2)C(=O)NC1(C[NH+]2CCOCC2)CCCCC1 ZINC000534575318 570900587 /nfs/dbraw/zinc/90/05/87/570900587.db2.gz UCGJKMMEVHMJKW-UHFFFAOYSA-N 1 2 375.517 2.075 50 0 GEAALO O=C(NC[C@@H](c1cccc2ccccc21)[NH+]1CCOCC1)C(=O)NC1CCCC1 ZINC000023107576 570906003 /nfs/dbraw/zinc/90/60/03/570906003.db2.gz DSYBOBSBVHXULP-NRFANRHFSA-N 1 2 395.503 2.388 50 0 GEAALO O=c1c(-c2ccccc2)nn2c3ccccc3nc2n1CC[NH+]1CCOCC1 ZINC000051325923 570923320 /nfs/dbraw/zinc/92/33/20/570923320.db2.gz FBUFGBGBDYTUKP-UHFFFAOYSA-N 1 2 375.432 2.043 50 0 GEAALO CCn1nc(C)c(S(=O)(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)c1C ZINC000036614447 570943083 /nfs/dbraw/zinc/94/30/83/570943083.db2.gz LPAVHFOOHZBISO-UHFFFAOYSA-N 1 2 376.526 2.335 50 0 GEAALO CC(C)[C@H](C(=O)NCC(=O)Nc1ccc(F)c(F)c1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000106142577 570948626 /nfs/dbraw/zinc/94/86/26/570948626.db2.gz AUKJYJCEDXWWQN-SNUQEOBHSA-N 1 2 383.439 2.153 50 0 GEAALO CN(Cc1ncnn1CC(F)F)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000252492889 570974850 /nfs/dbraw/zinc/97/48/50/570974850.db2.gz MWTSTSHCPNKGBP-UHFFFAOYSA-N 1 2 375.383 2.071 50 0 GEAALO Cc1cc(F)ccc1Oc1cc(N2CC[NH+](CC(=O)NC(C)C)CC2)ncn1 ZINC000037379034 570982473 /nfs/dbraw/zinc/98/24/73/570982473.db2.gz FBXPIDATPSAIPV-UHFFFAOYSA-N 1 2 387.459 2.363 50 0 GEAALO O[C@@H](C[NH+]1CCN(Cc2nc(-c3cccs3)no2)CC1)CC(F)(F)F ZINC000188717524 645123833 /nfs/dbraw/zinc/12/38/33/645123833.db2.gz JGHGKHXPIKNGNP-LLVKDONJSA-N 1 2 376.404 2.229 50 0 GEAALO Cn1ccnc1[C@@H](O)C1CCN(C(=O)c2ccc(-c3c[nH+]cn3C)cc2)CC1 ZINC000426410774 231217049 /nfs/dbraw/zinc/21/70/49/231217049.db2.gz YGGPZTPYCBAOLQ-IBGZPJMESA-N 1 2 379.464 2.406 50 0 GEAALO CCc1ccc(C[N@@H+]2CCc3c(C(=O)N[C@H]4CCN(C)C4=O)csc3C2)nc1 ZINC000426477929 529643998 /nfs/dbraw/zinc/64/39/98/529643998.db2.gz BPRWJKVIVCWJML-SFHVURJKSA-N 1 2 398.532 2.224 50 0 GEAALO CCc1ccc(C[N@H+]2CCc3c(C(=O)N[C@H]4CCN(C)C4=O)csc3C2)nc1 ZINC000426477929 529644000 /nfs/dbraw/zinc/64/40/00/529644000.db2.gz BPRWJKVIVCWJML-SFHVURJKSA-N 1 2 398.532 2.224 50 0 GEAALO CC(=O)Nc1ccc(S(=O)(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)cc1 ZINC000019235038 210234053 /nfs/dbraw/zinc/23/40/53/210234053.db2.gz RNGUDWHHFSBSQT-UHFFFAOYSA-N 1 2 387.505 2.460 50 0 GEAALO CCOc1ccc(S(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)cc1OCC ZINC000017331727 210209489 /nfs/dbraw/zinc/20/94/89/210209489.db2.gz QMFBBBGRPJDZFA-UHFFFAOYSA-N 1 2 391.493 2.390 50 0 GEAALO Cc1cc(-c2ccc(C)c(S(=O)(=O)NCC[C@H](C)[NH+]3CCOCC3)c2)on1 ZINC000015731012 210165068 /nfs/dbraw/zinc/16/50/68/210165068.db2.gz OBSKQBVIODWPOL-INIZCTEOSA-N 1 2 393.509 2.348 50 0 GEAALO Cc1cccc(C)c1NC(=O)c1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000015317500 210156942 /nfs/dbraw/zinc/15/69/42/210156942.db2.gz WWRVNLPMPUXRBD-UHFFFAOYSA-N 1 2 387.505 2.492 50 0 GEAALO COCCS(=O)(=O)c1ncc(C[N@H+](C)CC(C)C)n1Cc1ccccc1 ZINC000015074544 210149727 /nfs/dbraw/zinc/14/97/27/210149727.db2.gz NXTJIXFCSHRVGE-UHFFFAOYSA-N 1 2 379.526 2.439 50 0 GEAALO COCCS(=O)(=O)c1ncc(C[N@@H+](C)CC(C)C)n1Cc1ccccc1 ZINC000015074544 210149729 /nfs/dbraw/zinc/14/97/29/210149729.db2.gz NXTJIXFCSHRVGE-UHFFFAOYSA-N 1 2 379.526 2.439 50 0 GEAALO COc1ccc(C[N@@H+]2CCNC(=O)[C@H]2CC(=O)NC2CCCCC2)c(C)c1C ZINC000014949962 210131071 /nfs/dbraw/zinc/13/10/71/210131071.db2.gz SOEASYLXIUIJMJ-LJQANCHMSA-N 1 2 387.524 2.451 50 0 GEAALO COc1ccc(C[N@H+]2CCNC(=O)[C@H]2CC(=O)NC2CCCCC2)c(C)c1C ZINC000014949962 210131076 /nfs/dbraw/zinc/13/10/76/210131076.db2.gz SOEASYLXIUIJMJ-LJQANCHMSA-N 1 2 387.524 2.451 50 0 GEAALO Cc1ccc(C[N@@H+]2CCc3c(c(C(=O)NCc4ccccc4)nn3CCO)C2)o1 ZINC000014744861 210127636 /nfs/dbraw/zinc/12/76/36/210127636.db2.gz MINUZTMSSRXNMW-UHFFFAOYSA-N 1 2 394.475 2.265 50 0 GEAALO Cc1ccc(C[N@H+]2CCc3c(c(C(=O)NCc4ccccc4)nn3CCO)C2)o1 ZINC000014744861 210127642 /nfs/dbraw/zinc/12/76/42/210127642.db2.gz MINUZTMSSRXNMW-UHFFFAOYSA-N 1 2 394.475 2.265 50 0 GEAALO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(C)C2=O)c1ccc(F)cc1 ZINC000014406152 210118070 /nfs/dbraw/zinc/11/80/70/210118070.db2.gz QYQDQGPLQJXAOE-KRWDZBQOSA-N 1 2 392.390 2.304 50 0 GEAALO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc2c(c1)OCC(=O)N2)c1ccc(F)cc1 ZINC000014406268 210117527 /nfs/dbraw/zinc/11/75/27/210117527.db2.gz CMFAYSQUGPZTMP-SFHVURJKSA-N 1 2 380.379 2.410 50 0 GEAALO CCCCOc1ccc(C[NH+]2CCN(C(=O)NCC(=O)OCC)CC2)cc1 ZINC000013328925 210056937 /nfs/dbraw/zinc/05/69/37/210056937.db2.gz IQTDSECTAJIWSV-UHFFFAOYSA-N 1 2 377.485 2.256 50 0 GEAALO O=C(Cn1[nH]c(=O)c2ccccc2c1=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000012938172 210034707 /nfs/dbraw/zinc/03/47/07/210034707.db2.gz UPYMPEIDQOXYOD-UHFFFAOYSA-N 1 2 399.476 2.183 50 0 GEAALO Cn1ncc2c1nc[nH+]c2NCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000012931361 210032187 /nfs/dbraw/zinc/03/21/87/210032187.db2.gz NILIKZHISYQVCL-UHFFFAOYSA-N 1 2 392.510 2.212 50 0 GEAALO O=C(c1ccc2c(c1)C(=O)N(CCC[NH+]1CCOCC1)C2=O)N1CCCCCC1 ZINC000012815403 210015785 /nfs/dbraw/zinc/01/57/85/210015785.db2.gz KHMIQNABIAVBOM-UHFFFAOYSA-N 1 2 399.491 2.021 50 0 GEAALO O=C(CCNC(=O)c1ccccc1)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000012752629 210001554 /nfs/dbraw/zinc/00/15/54/210001554.db2.gz OKCAYZZRXMEVEF-QGZVFWFLSA-N 1 2 387.505 2.058 50 0 GEAALO O=C(/C=C/c1nc2ccccc2o1)N1CC[NH+](CC(=O)N2CCCCCC2)CC1 ZINC000012749857 210000282 /nfs/dbraw/zinc/00/02/82/210000282.db2.gz PXMZQJBGXPBQCI-MDZDMXLPSA-N 1 2 396.491 2.388 50 0 GEAALO CC(C)OCCCNC(=O)C[C@@H]1C(=O)NCC[N@H+]1Cc1ccc2ccccc2c1 ZINC000012718054 209996160 /nfs/dbraw/zinc/99/61/60/209996160.db2.gz WEMUZWQBGFNHRV-OAQYLSRUSA-N 1 2 397.519 2.462 50 0 GEAALO CC(C)OCCCNC(=O)C[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc2ccccc2c1 ZINC000012718054 209996165 /nfs/dbraw/zinc/99/61/65/209996165.db2.gz WEMUZWQBGFNHRV-OAQYLSRUSA-N 1 2 397.519 2.462 50 0 GEAALO O=S(=O)(c1ccc(Cl)cc1)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000023387983 531598718 /nfs/dbraw/zinc/59/87/18/531598718.db2.gz XVMHNAZSTCWADK-SFHVURJKSA-N 1 2 380.897 2.380 50 0 GEAALO O=S(=O)(c1ccc(Br)s1)N1CCN(c2cccc[nH+]2)CC1 ZINC000036047611 531658917 /nfs/dbraw/zinc/65/89/17/531658917.db2.gz WSODDEKYTDKRJK-UHFFFAOYSA-N 1 2 388.312 2.417 50 0 GEAALO Cc1nn2c(nc(C[NH+]3CCN(c4cccc(Cl)c4)CC3)cc2=O)s1 ZINC000043272970 531680125 /nfs/dbraw/zinc/68/01/25/531680125.db2.gz WBLQFZWFMXMYPS-UHFFFAOYSA-N 1 2 375.885 2.435 50 0 GEAALO O=C(CCc1cccc(Cl)c1)NC1CC[NH+]([C@H]2CCS(=O)(=O)C2)CC1 ZINC000390832529 532707200 /nfs/dbraw/zinc/70/72/00/532707200.db2.gz ZZTUWOSGAYGCTA-KRWDZBQOSA-N 1 2 384.929 2.040 50 0 GEAALO O=C1C[C@H]([NH+]2CCN(c3ccccc3F)CC2)C(=O)N1CCc1ccccc1 ZINC000002649021 209375580 /nfs/dbraw/zinc/37/55/80/209375580.db2.gz HAPHJWCJLGTMHB-FQEVSTJZSA-N 1 2 381.451 2.318 50 0 GEAALO CCc1[nH+]c2ccccc2n1CC(=O)N([C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 ZINC000002625715 209372888 /nfs/dbraw/zinc/37/28/88/209372888.db2.gz IQEFMFZVQPFMHV-HUUCEWRRSA-N 1 2 377.510 2.413 50 0 GEAALO O=C(c1cccnc1)N1CCN(c2[nH+]cnc3c2cnn3-c2ccccc2)CC1 ZINC000001372342 209323961 /nfs/dbraw/zinc/32/39/61/209323961.db2.gz IMRIUIWACCULKH-UHFFFAOYSA-N 1 2 385.431 2.173 50 0 GEAALO O=C(c1ccnc(OCC2CCOCC2)c1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000253473270 209219509 /nfs/dbraw/zinc/21/95/09/209219509.db2.gz TXVFLLJGDOKVBE-UHFFFAOYSA-N 1 2 396.491 2.240 50 0 GEAALO O=C(NCCC1=CCCCC1)C(=O)NC[C@@H](c1ccoc1)[NH+]1CCSCC1 ZINC000244933316 209215448 /nfs/dbraw/zinc/21/54/48/209215448.db2.gz CLWRVJRHJWLNMN-SFHVURJKSA-N 1 2 391.537 2.492 50 0 GEAALO O=C(CCn1cnc2ccccc2c1=O)N1CCC(Oc2cc[nH+]cc2)CC1 ZINC000245015182 209214657 /nfs/dbraw/zinc/21/46/57/209214657.db2.gz LPKKPKIHRHMHTL-UHFFFAOYSA-N 1 2 378.432 2.252 50 0 GEAALO Nc1nc(CCCNC(=O)Nc2ccccc2C[NH+]2CCOCC2)cs1 ZINC000299769756 212034736 /nfs/dbraw/zinc/03/47/36/212034736.db2.gz PSKXXOYOHHXEDG-UHFFFAOYSA-N 1 2 375.498 2.312 50 0 GEAALO CC1CCN(S(=O)(=O)c2cccc(S(=O)(=O)Nc3cc[nH+]cc3)c2)CC1 ZINC000097102029 211356353 /nfs/dbraw/zinc/35/63/53/211356353.db2.gz ITCUOXRMFWNCCM-UHFFFAOYSA-N 1 2 395.506 2.303 50 0 GEAALO COc1cccc(OC[C@@H]2C[N@H+](C[C@H](O)COCc3ccccc3)CCO2)c1 ZINC000096280492 211330336 /nfs/dbraw/zinc/33/03/36/211330336.db2.gz PPCQSLRROUGQPQ-UGKGYDQZSA-N 1 2 387.476 2.353 50 0 GEAALO COc1cccc(OC[C@@H]2C[N@@H+](C[C@H](O)COCc3ccccc3)CCO2)c1 ZINC000096280492 211330342 /nfs/dbraw/zinc/33/03/42/211330342.db2.gz PPCQSLRROUGQPQ-UGKGYDQZSA-N 1 2 387.476 2.353 50 0 GEAALO Cn1cccc1C(=O)N1CCC(c2nnc(Cn3cc[nH+]c3)n2C2CC2)CC1 ZINC000096165902 211315282 /nfs/dbraw/zinc/31/52/82/211315282.db2.gz FTAUPAUANGDSAK-UHFFFAOYSA-N 1 2 379.468 2.216 50 0 GEAALO CCn1cc[nH+]c1C1CCN(C(=O)Cn2nnc(-c3ccc(F)cc3)n2)CC1 ZINC000095531042 211275390 /nfs/dbraw/zinc/27/53/90/211275390.db2.gz NMWUSUFYGRLXSO-UHFFFAOYSA-N 1 2 383.431 2.102 50 0 GEAALO COCC(=O)N1CCc2[nH]c[nH+]c2C12CCN(C(=O)CCC1CCCC1)CC2 ZINC000095523137 211269557 /nfs/dbraw/zinc/26/95/57/211269557.db2.gz UUMIJZSNHFUMNQ-UHFFFAOYSA-N 1 2 388.512 2.229 50 0 GEAALO CSCC[C@@H](O)C(=O)N1CCC(c2[nH+]ccn2Cc2cscn2)CC1 ZINC000095508208 211259744 /nfs/dbraw/zinc/25/97/44/211259744.db2.gz FSWIRJYXJZQICA-OAHLLOKOSA-N 1 2 380.539 2.208 50 0 GEAALO O=C(CN1CCCCC1=O)N1CCC[C@H](c2[nH+]ccn2Cc2cscn2)C1 ZINC000095510742 211259381 /nfs/dbraw/zinc/25/93/81/211259381.db2.gz KHTNNOUZICWKPH-HNNXBMFYSA-N 1 2 387.509 2.106 50 0 GEAALO COCCn1cc[nH+]c1C1CCN(C(=O)CCN2CCCCCC2=O)CC1 ZINC000095503174 211254649 /nfs/dbraw/zinc/25/46/49/211254649.db2.gz YVDCYPANOMDVET-UHFFFAOYSA-N 1 2 376.501 2.028 50 0 GEAALO COCC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1cc(-c3ccc(OC)cc3)[nH]n1)C2 ZINC000095359265 211223158 /nfs/dbraw/zinc/22/31/58/211223158.db2.gz XZDHJAYWIGSNGX-NVXWUHKLSA-N 1 2 384.480 2.268 50 0 GEAALO COCC[N@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1cc(-c3ccc(OC)cc3)[nH]n1)C2 ZINC000095359265 211223163 /nfs/dbraw/zinc/22/31/63/211223163.db2.gz XZDHJAYWIGSNGX-NVXWUHKLSA-N 1 2 384.480 2.268 50 0 GEAALO CN(Cc1[nH]cc[nH+]1)S(=O)(=O)c1cccc(C(=O)NCc2ccccc2)c1 ZINC000095366883 211228538 /nfs/dbraw/zinc/22/85/38/211228538.db2.gz AMIAUPUUQBEXHA-UHFFFAOYSA-N 1 2 384.461 2.160 50 0 GEAALO Cn1c(C[N@@H+]2C[C@H]3CC[C@@H]2CN(C(=O)c2cnccn2)C3)nc2ccccc21 ZINC000095366244 211225211 /nfs/dbraw/zinc/22/52/11/211225211.db2.gz UWRSTIMVLQEDTB-HZPDHXFCSA-N 1 2 376.464 2.100 50 0 GEAALO Cn1c(C[N@H+]2C[C@H]3CC[C@@H]2CN(C(=O)c2cnccn2)C3)nc2ccccc21 ZINC000095366244 211225214 /nfs/dbraw/zinc/22/52/14/211225214.db2.gz UWRSTIMVLQEDTB-HZPDHXFCSA-N 1 2 376.464 2.100 50 0 GEAALO CCc1cc(C(=O)N2CCC3(CCC(=O)N(CCCn4cc[nH+]c4)C3)CC2)on1 ZINC000092046893 211214177 /nfs/dbraw/zinc/21/41/77/211214177.db2.gz AVYRAWVFSDWSED-UHFFFAOYSA-N 1 2 399.495 2.369 50 0 GEAALO O=C(CCCn1cncn1)N1CCC[C@@H](c2[nH+]ccn2Cc2ccncc2)C1 ZINC000091585739 211196652 /nfs/dbraw/zinc/19/66/52/211196652.db2.gz CGZUTBGGSKQEEQ-GOSISDBHSA-N 1 2 379.468 2.104 50 0 GEAALO COCc1noc(C[NH+]2CCC3(CCC(=O)N(Cc4ccccn4)C3)CC2)n1 ZINC000091849353 211207894 /nfs/dbraw/zinc/20/78/94/211207894.db2.gz TZBSXAVTCSPFPP-UHFFFAOYSA-N 1 2 385.468 2.016 50 0 GEAALO O=C(c1cccc(O)c1)N1CCC2(CCC(=O)N(CCc3c[nH+]c[nH]3)C2)CC1 ZINC000091746915 211204966 /nfs/dbraw/zinc/20/49/66/211204966.db2.gz GDMXOZWGPYIELJ-UHFFFAOYSA-N 1 2 382.464 2.203 50 0 GEAALO O=C(c1cccc(O)c1)N1CCC2(CCC(=O)N(CCc3c[nH]c[nH+]3)C2)CC1 ZINC000091746915 211204972 /nfs/dbraw/zinc/20/49/72/211204972.db2.gz GDMXOZWGPYIELJ-UHFFFAOYSA-N 1 2 382.464 2.203 50 0 GEAALO O=C(c1ccco1)N1CC[NH+](C[C@H](O)COCc2ccc(Cl)cc2)CC1 ZINC000084429436 211169404 /nfs/dbraw/zinc/16/94/04/211169404.db2.gz MRWMOTYUFQPHAB-KRWDZBQOSA-N 1 2 378.856 2.269 50 0 GEAALO O=C(C[NH+]1CCN(C(=O)c2ccc3c4c(cccc42)CC3)CC1)N1CCCC1 ZINC000084493566 211168745 /nfs/dbraw/zinc/16/87/45/211168745.db2.gz VUENBJIGBSYIPQ-UHFFFAOYSA-N 1 2 377.488 2.319 50 0 GEAALO O=C(N[C@@H]1CCS(=O)(=O)C1)C1C[NH+](C(c2ccccc2)c2ccccc2)C1 ZINC000079488464 211157972 /nfs/dbraw/zinc/15/79/72/211157972.db2.gz NMQPECNPJNAJRF-LJQANCHMSA-N 1 2 384.501 2.011 50 0 GEAALO Cc1cccc(CN2CCN(C(=O)CCc3cn4ccccc4[nH+]3)CC2=O)c1 ZINC000077297928 211128631 /nfs/dbraw/zinc/12/86/31/211128631.db2.gz CGNMAQSKCDSHQX-UHFFFAOYSA-N 1 2 376.460 2.446 50 0 GEAALO COc1ccc(CCNC(=O)N2CC[NH+](CCn3nc(C)cc3C)CC2)cc1 ZINC000077190866 211126310 /nfs/dbraw/zinc/12/63/10/211126310.db2.gz OPEKZGGYGUIZBT-UHFFFAOYSA-N 1 2 385.512 2.078 50 0 GEAALO O=C(c1[nH]nc2ccccc21)N1CC[N@H+](CCc2ccccc2)[C@@H](CCO)C1 ZINC000072434492 211120715 /nfs/dbraw/zinc/12/07/15/211120715.db2.gz CKDRWFNSROSUHN-SFHVURJKSA-N 1 2 378.476 2.314 50 0 GEAALO O=C(c1[nH]nc2ccccc21)N1CC[N@@H+](CCc2ccccc2)[C@@H](CCO)C1 ZINC000072434492 211120716 /nfs/dbraw/zinc/12/07/16/211120716.db2.gz CKDRWFNSROSUHN-SFHVURJKSA-N 1 2 378.476 2.314 50 0 GEAALO Cc1ncoc1C(=O)N1CCn2nc(C[N@@H+]3CCc4ccccc4C3)cc2C1 ZINC000072435082 211120320 /nfs/dbraw/zinc/12/03/20/211120320.db2.gz BRNCOVGPXIQXDF-UHFFFAOYSA-N 1 2 377.448 2.394 50 0 GEAALO Cc1ncoc1C(=O)N1CCn2nc(C[N@H+]3CCc4ccccc4C3)cc2C1 ZINC000072435082 211120324 /nfs/dbraw/zinc/12/03/24/211120324.db2.gz BRNCOVGPXIQXDF-UHFFFAOYSA-N 1 2 377.448 2.394 50 0 GEAALO CN(CC(N)=O)Cc1cc2n(n1)CC[N@H+](Cc1ccc(-c3ccco3)cc1)C2 ZINC000072142114 211073328 /nfs/dbraw/zinc/07/33/28/211073328.db2.gz OCSBPLLSUGYHNZ-UHFFFAOYSA-N 1 2 379.464 2.076 50 0 GEAALO CN(CC(N)=O)Cc1cc2n(n1)CC[N@@H+](Cc1ccc(-c3ccco3)cc1)C2 ZINC000072142114 211073332 /nfs/dbraw/zinc/07/33/32/211073332.db2.gz OCSBPLLSUGYHNZ-UHFFFAOYSA-N 1 2 379.464 2.076 50 0 GEAALO CO[C@@H](CNc1nc(N(C)C)[nH+]c2c1CCN(C(C)=O)C2)c1cccs1 ZINC000071589531 211048773 /nfs/dbraw/zinc/04/87/73/211048773.db2.gz MSQILXCKXCRFHI-HNNXBMFYSA-N 1 2 375.498 2.308 50 0 GEAALO CC1(C)Cc2cc(CNC(=O)c3cc(C[NH+]4CCC(O)CC4)on3)ccc2O1 ZINC000067894202 211029320 /nfs/dbraw/zinc/02/93/20/211029320.db2.gz LILYGVZUAUTGAN-UHFFFAOYSA-N 1 2 385.464 2.275 50 0 GEAALO Cc1cc2nc(CNC(=O)c3cc(C[N@@H+]4CCC[C@H](O)C4)on3)[nH]c2cc1C ZINC000067458913 211010844 /nfs/dbraw/zinc/01/08/44/211010844.db2.gz GIVQMEHVVCLCDQ-AWEZNQCLSA-N 1 2 383.452 2.054 50 0 GEAALO Cc1cc2nc(CNC(=O)c3cc(C[N@H+]4CCC[C@H](O)C4)on3)[nH]c2cc1C ZINC000067458913 211010848 /nfs/dbraw/zinc/01/08/48/211010848.db2.gz GIVQMEHVVCLCDQ-AWEZNQCLSA-N 1 2 383.452 2.054 50 0 GEAALO O=C(NCc1ccc[nH+]c1N1CCc2ccccc2C1)C(=O)NC1CCCC1 ZINC000067447205 211009770 /nfs/dbraw/zinc/00/97/70/211009770.db2.gz TYYTWADDRXJUBE-UHFFFAOYSA-N 1 2 378.476 2.319 50 0 GEAALO C[C@]1(n2cc(C3=CC[N@H+](CCc4ccccn4)CC3)cn2)CCS(=O)(=O)C1 ZINC000065398171 210992283 /nfs/dbraw/zinc/99/22/83/210992283.db2.gz QSZHLQKXCLCACD-FQEVSTJZSA-N 1 2 386.521 2.144 50 0 GEAALO C[C@]1(n2cc(C3=CC[N@@H+](CCc4ccccn4)CC3)cn2)CCS(=O)(=O)C1 ZINC000065398171 210992285 /nfs/dbraw/zinc/99/22/85/210992285.db2.gz QSZHLQKXCLCACD-FQEVSTJZSA-N 1 2 386.521 2.144 50 0 GEAALO COC(=O)[C@]1(C)[NH2+][C@H](c2sccc2C)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000065394473 210992017 /nfs/dbraw/zinc/99/20/17/210992017.db2.gz NNLVYZKQJAJWIH-GXNBUGAJSA-N 1 2 384.457 2.438 50 0 GEAALO C[C@H](Cn1cc[nH+]c1)NC(=O)CCn1cnc2sc3c(c2c1=O)CCCC3 ZINC000047264946 210841586 /nfs/dbraw/zinc/84/15/86/210841586.db2.gz HOWIVPAPZBJMTF-CYBMUJFWSA-N 1 2 385.493 2.128 50 0 GEAALO CC(C)C[C@@H]1[NH2+]C2(CCN(C(=O)c3ccc4c(c3)OCO4)CC2)N(C2CC2)C1=O ZINC000036032611 210705619 /nfs/dbraw/zinc/70/56/19/210705619.db2.gz BMAAYMNKCIQWTJ-KRWDZBQOSA-N 1 2 399.491 2.357 50 0 GEAALO CCOC(=O)N1CC[NH+]([C@H]2CCCN(Cc3c(C)nn(C)c3Cl)C2)CC1 ZINC000020919116 210367927 /nfs/dbraw/zinc/36/79/27/210367927.db2.gz HHRHQFZAXZBWCE-HNNXBMFYSA-N 1 2 383.924 2.120 50 0 GEAALO CC1CCN(C(=O)C[NH+]2CCN(CC(=O)Nc3ccccc3Cl)CC2)CC1 ZINC000020803980 210363277 /nfs/dbraw/zinc/36/32/77/210363277.db2.gz CWLVKEISYPVYGL-UHFFFAOYSA-N 1 2 392.931 2.155 50 0 GEAALO O=C(CN1C(=O)c2ccccc2C1=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000020740871 210359377 /nfs/dbraw/zinc/35/93/77/210359377.db2.gz HKBNRYRDTHUOIZ-UHFFFAOYSA-N 1 2 397.862 2.280 50 0 GEAALO CCc1cc(=O)oc2c1cc(Cl)c1c2CN(CC[NH+]2CCOCC2)CO1 ZINC000020567539 210349066 /nfs/dbraw/zinc/34/90/66/210349066.db2.gz VTVJOYXYNPCONH-UHFFFAOYSA-N 1 2 378.856 2.493 50 0 GEAALO COc1ccc(-c2noc(CC(=O)N3CCN(c4cccc[nH+]4)CC3)n2)cc1 ZINC000020515872 210343254 /nfs/dbraw/zinc/34/32/54/210343254.db2.gz ARGYTSBKHJFLSG-UHFFFAOYSA-N 1 2 379.420 2.032 50 0 GEAALO CC[NH+]1CCN(C(=O)C[S@](=O)Cc2nc(-c3cccc(C)c3)oc2C)CC1 ZINC000020241485 210324249 /nfs/dbraw/zinc/32/42/49/210324249.db2.gz IBGVTFHQURAVTF-MHZLTWQESA-N 1 2 389.521 2.371 50 0 GEAALO Cn1c(C[NH+]2CCN(c3ccccc3NS(C)(=O)=O)CC2)nc2ccccc21 ZINC000020428282 210333661 /nfs/dbraw/zinc/33/36/61/210333661.db2.gz RTBUAXLHHNBKPN-UHFFFAOYSA-N 1 2 399.520 2.267 50 0 GEAALO Cc1ccc([C@H]2CC(=O)c3c(C)nc(N4CC[NH+](CCO)CC4)nc3C2)cc1 ZINC000019938245 210308616 /nfs/dbraw/zinc/30/86/16/210308616.db2.gz GBBJDPNITAPOAV-GOSISDBHSA-N 1 2 380.492 2.120 50 0 GEAALO CCOC(=O)c1nnn(Cc2ccccc2Cl)c1NC(=O)C[NH+]1CCCC1 ZINC000019897451 210307815 /nfs/dbraw/zinc/30/78/15/210307815.db2.gz RLJCUKIMEAYIAC-UHFFFAOYSA-N 1 2 391.859 2.191 50 0 GEAALO O=C(C[C@@H]1Sc2ccccc2NC1=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000011128678 221111167 /nfs/dbraw/zinc/11/11/67/221111167.db2.gz CEJCBZGLIUVVFA-KRWDZBQOSA-N 1 2 398.488 2.038 50 0 GEAALO CCC(=O)c1ccc(OCC(=O)NCc2ccc(N3CCOCC3)[nH+]c2)cc1 ZINC000011127621 221111569 /nfs/dbraw/zinc/11/15/69/221111569.db2.gz GAXZDGLZBMCWKJ-UHFFFAOYSA-N 1 2 383.448 2.206 50 0 GEAALO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc(N2CCOCC2)nc1)c1ccccc1 ZINC000040033876 132392772 /nfs/dbraw/zinc/39/27/72/132392772.db2.gz DZOQAJIVFHXXFM-LJQANCHMSA-N 1 2 377.448 2.171 50 0 GEAALO CC1=NN(c2ccc(C(=O)NCc3ccc[nH+]c3N3CCOCC3)cc2)CC1 ZINC000040105432 132396303 /nfs/dbraw/zinc/39/63/03/132396303.db2.gz ZEDXPJRMTXHMPU-UHFFFAOYSA-N 1 2 379.464 2.434 50 0 GEAALO O=C(NCc1ccc[nH+]c1N1CCOCC1)Nc1cccc(N2CCOC2=O)c1 ZINC000040105004 132396321 /nfs/dbraw/zinc/39/63/21/132396321.db2.gz OYLFLMMHMPQJKW-UHFFFAOYSA-N 1 2 397.435 2.197 50 0 GEAALO O=C(CCc1cc[nH+]c(N2CCOCC2)c1)N1CCN(c2ccccc2)CC1 ZINC000065269820 136162223 /nfs/dbraw/zinc/16/22/23/136162223.db2.gz GKONVGSBKGAWFB-UHFFFAOYSA-N 1 2 380.492 2.200 50 0 GEAALO COc1cccc(CNC(=O)Cn2ncc3c2nc[nH+]c3N2CCC(C)CC2)c1 ZINC000065295563 136162794 /nfs/dbraw/zinc/16/27/94/136162794.db2.gz GTSNEHOPIUDEHM-UHFFFAOYSA-N 1 2 394.479 2.388 50 0 GEAALO O=C(c1ncccc1O)N1CCC[C@@H]([NH+]2CCN(c3ccccc3F)CC2)C1 ZINC000072163919 136167312 /nfs/dbraw/zinc/16/73/12/136167312.db2.gz KPTCHQNKTZESPH-MRXNPFEDSA-N 1 2 384.455 2.353 50 0 GEAALO Cc1nc(-n2cccn2)cc(N2CCC3(CC2)Nc2ccccc2NC3=O)[nH+]1 ZINC000082097476 136173476 /nfs/dbraw/zinc/17/34/76/136173476.db2.gz AVFUPBPFHIYKNG-UHFFFAOYSA-N 1 2 375.436 2.374 50 0 GEAALO C[C@H]1CN(c2ccc(Cl)cc2)C(=O)C[N@@H+]1Cc1cccc(OCC(N)=O)c1 ZINC000082170988 136174201 /nfs/dbraw/zinc/17/42/01/136174201.db2.gz CJCMMPYROMVLEK-AWEZNQCLSA-N 1 2 387.867 2.441 50 0 GEAALO C[C@H]1CN(c2ccc(Cl)cc2)C(=O)C[N@H+]1Cc1cccc(OCC(N)=O)c1 ZINC000082170988 136174202 /nfs/dbraw/zinc/17/42/02/136174202.db2.gz CJCMMPYROMVLEK-AWEZNQCLSA-N 1 2 387.867 2.441 50 0 GEAALO CCc1ccc(S(=O)(=O)N2CCN(c3cc(-n4cccc4)nc[nH+]3)CC2)cc1 ZINC000090607853 136176162 /nfs/dbraw/zinc/17/61/62/136176162.db2.gz SRKJBPSGYDAHAU-UHFFFAOYSA-N 1 2 397.504 2.341 50 0 GEAALO O=C([O-])c1cccc(N2CCC3(CCC(=O)N(CCCn4cc[nH+]c4)C3)CC2)[nH+]1 ZINC000095376632 136178580 /nfs/dbraw/zinc/17/85/80/136178580.db2.gz YFTMIDGRSMSNPI-UHFFFAOYSA-N 1 2 397.479 2.276 50 0 GEAALO O=C([O-])c1ccc(N2CCC3(CCC(=O)N(CCCn4cc[nH+]c4)C3)CC2)[nH+]c1 ZINC000095390733 136178997 /nfs/dbraw/zinc/17/89/97/136178997.db2.gz PRUIHXDKVFUBCS-UHFFFAOYSA-N 1 2 397.479 2.276 50 0 GEAALO Cc1nnc2n1CCC[C@H]2NC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000095964256 136182903 /nfs/dbraw/zinc/18/29/03/136182903.db2.gz REIHAIJUSGKYHA-MRXNPFEDSA-N 1 2 398.515 2.175 50 0 GEAALO COc1cccc(N2C(=O)C[C@@H]([NH+]3CCN(c4cccc(OC)c4)CC3)C2=O)c1 ZINC000096299667 136186141 /nfs/dbraw/zinc/18/61/41/136186141.db2.gz RUCHLUILQKKJHD-HXUWFJFHSA-N 1 2 395.459 2.158 50 0 GEAALO COc1ccc(C[N@H+](C)CC(=O)N2CCN(c3ccccc3)CC2)c(OC)c1 ZINC000008213899 136195465 /nfs/dbraw/zinc/19/54/65/136195465.db2.gz OYEOMKSTRARXTD-UHFFFAOYSA-N 1 2 383.492 2.484 50 0 GEAALO COc1ccc(C[N@@H+](C)CC(=O)N2CCN(c3ccccc3)CC2)c(OC)c1 ZINC000008213899 136195466 /nfs/dbraw/zinc/19/54/66/136195466.db2.gz OYEOMKSTRARXTD-UHFFFAOYSA-N 1 2 383.492 2.484 50 0 GEAALO COc1cc(OC)cc(N2C(=O)C[C@@H]([NH+]3CCN(c4ccccc4)CC3)C2=O)c1 ZINC000019595164 136202310 /nfs/dbraw/zinc/20/23/10/136202310.db2.gz QTXZUZSBAUAEFL-HXUWFJFHSA-N 1 2 395.459 2.158 50 0 GEAALO Cc1nc2c(c(N3CCC[C@@H](c4nnc(C[NH+]5CCCC5)n4C)C3)n1)CCC2 ZINC000426707408 534620944 /nfs/dbraw/zinc/62/09/44/534620944.db2.gz KOQCVYCMYPAWLE-MRXNPFEDSA-N 1 2 381.528 2.382 50 0 GEAALO CC(=O)c1ccc(N2CCN(C(=O)c3ccc(-n4cc[nH+]c4)nc3)CC2)cc1 ZINC000040043279 534850608 /nfs/dbraw/zinc/85/06/08/534850608.db2.gz LQJUOLQJLATBNO-UHFFFAOYSA-N 1 2 375.432 2.432 50 0 GEAALO CC(=O)c1cccc(NC(=O)[C@H](C)NC(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000061719302 534892331 /nfs/dbraw/zinc/89/23/31/534892331.db2.gz LZLVQJHZWPHCJY-HNNXBMFYSA-N 1 2 395.463 2.143 50 0 GEAALO CC(C)Cc1nc(CNC(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)no1 ZINC000426583912 528667762 /nfs/dbraw/zinc/66/77/62/528667762.db2.gz DHNPGZHWAKBQFC-UHFFFAOYSA-N 1 2 375.448 2.435 50 0 GEAALO CCCc1c[nH+]c(C)nc1N1CC[C@H]([NH+]2CCOCC2)[C@H](CCC(=O)[O-])C1 ZINC000091896175 535436129 /nfs/dbraw/zinc/43/61/29/535436129.db2.gz DKBDZPCBXZFZLO-MSOLQXFVSA-N 1 2 376.501 2.129 50 0 GEAALO O=C(C[N@@H+](Cc1ccc(F)cc1)C1CCCCC1)N[C@H]1CCS(=O)(=O)C1 ZINC000032513551 570219621 /nfs/dbraw/zinc/21/96/21/570219621.db2.gz QBFWZBGCHPDOSK-KRWDZBQOSA-N 1 2 382.501 2.264 50 0 GEAALO O=C(C[N@H+](Cc1ccc(F)cc1)C1CCCCC1)N[C@H]1CCS(=O)(=O)C1 ZINC000032513551 570219623 /nfs/dbraw/zinc/21/96/23/570219623.db2.gz QBFWZBGCHPDOSK-KRWDZBQOSA-N 1 2 382.501 2.264 50 0 GEAALO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)[C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000048234788 570221497 /nfs/dbraw/zinc/22/14/97/570221497.db2.gz BYAXYBFVOKDQGD-HXUWFJFHSA-N 1 2 395.507 2.475 50 0 GEAALO Cn1cc[nH+]c1[C@H](NC(=O)c1cnc2sccn2c1=O)c1ccccc1F ZINC000048231431 570223642 /nfs/dbraw/zinc/22/36/42/570223642.db2.gz IXBXCFRXLPJWIO-CQSZACIVSA-N 1 2 383.408 2.148 50 0 GEAALO COc1ccc(N(CCC(N)=O)C(=O)C[N@@H+]2CCC[C@H]2c2cc(C)no2)cc1 ZINC000048324381 570235500 /nfs/dbraw/zinc/23/55/00/570235500.db2.gz FHAXEYVXQBLWSJ-KRWDZBQOSA-N 1 2 386.452 2.037 50 0 GEAALO COc1ccc(N(CCC(N)=O)C(=O)C[N@H+]2CCC[C@H]2c2cc(C)no2)cc1 ZINC000048324381 570235503 /nfs/dbraw/zinc/23/55/03/570235503.db2.gz FHAXEYVXQBLWSJ-KRWDZBQOSA-N 1 2 386.452 2.037 50 0 GEAALO COc1ccc(CNC(=O)C[N@@H+]2CCc3[nH]c4ccc(F)cc4c(=O)c3C2)cc1 ZINC000048986050 570256336 /nfs/dbraw/zinc/25/63/36/570256336.db2.gz QCGDJIKRWZFRGF-UHFFFAOYSA-N 1 2 395.434 2.350 50 0 GEAALO COc1ccc(CNC(=O)C[N@H+]2CCc3[nH]c4ccc(F)cc4c(=O)c3C2)cc1 ZINC000048986050 570256339 /nfs/dbraw/zinc/25/63/39/570256339.db2.gz QCGDJIKRWZFRGF-UHFFFAOYSA-N 1 2 395.434 2.350 50 0 GEAALO COCCNC(=O)C[N@@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1c1cccs1 ZINC000049093438 570262324 /nfs/dbraw/zinc/26/23/24/570262324.db2.gz DLUFCNSSFMKXQS-HXUWFJFHSA-N 1 2 390.505 2.475 50 0 GEAALO COCCNC(=O)C[N@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1c1cccs1 ZINC000049093438 570262327 /nfs/dbraw/zinc/26/23/27/570262327.db2.gz DLUFCNSSFMKXQS-HXUWFJFHSA-N 1 2 390.505 2.475 50 0 GEAALO COCCNC(=O)C[N@@H+]1CCc2cc(OC)c(OC)cc2[C@H]1c1cccs1 ZINC000049093441 570262473 /nfs/dbraw/zinc/26/24/73/570262473.db2.gz DLUFCNSSFMKXQS-FQEVSTJZSA-N 1 2 390.505 2.475 50 0 GEAALO COCCNC(=O)C[N@H+]1CCc2cc(OC)c(OC)cc2[C@H]1c1cccs1 ZINC000049093441 570262475 /nfs/dbraw/zinc/26/24/75/570262475.db2.gz DLUFCNSSFMKXQS-FQEVSTJZSA-N 1 2 390.505 2.475 50 0 GEAALO C[C@H](NC(=O)N1CC[NH+](Cc2cccnc2)CC1)c1ccc2c(c1)OCCO2 ZINC000043481677 570276776 /nfs/dbraw/zinc/27/67/76/570276776.db2.gz JHJFCZCGLGQHPZ-INIZCTEOSA-N 1 2 382.464 2.441 50 0 GEAALO O=C(CC1=CSC2=[NH+]CCN12)N1CCC2(CC1)Nc1ccccc1NC2=O ZINC000101755474 570285169 /nfs/dbraw/zinc/28/51/69/570285169.db2.gz LFFFBCQHIFDQAJ-UHFFFAOYSA-N 1 2 383.477 2.062 50 0 GEAALO CC[NH+]1CCN(C(=O)[C@@H](C)Sc2nnnn2-c2ccc(C(C)C)cc2)CC1 ZINC000022309855 570312741 /nfs/dbraw/zinc/31/27/41/570312741.db2.gz JTNKDIKTZKLCIL-OAHLLOKOSA-N 1 2 388.541 2.430 50 0 GEAALO O=C(Cn1ncc(Cl)c(Cl)c1=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000022517659 570319553 /nfs/dbraw/zinc/31/95/53/570319553.db2.gz LCRGYTZCMQPPOO-UHFFFAOYSA-N 1 2 397.262 2.021 50 0 GEAALO Cc1nn(C)c(C)c1CCC(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000022837584 570330537 /nfs/dbraw/zinc/33/05/37/570330537.db2.gz AXDGSCUMHMSSGC-QGZVFWFLSA-N 1 2 376.526 2.221 50 0 GEAALO C[C@H]1CCCCN1C(=O)C[NH+]1CCN(CC(=O)Nc2ccccc2Cl)CC1 ZINC000022929715 570336720 /nfs/dbraw/zinc/33/67/20/570336720.db2.gz IEYVUBCRHUXWTA-INIZCTEOSA-N 1 2 392.931 2.297 50 0 GEAALO COc1cc(C[N@@H+]2Cc3ccccc3C[C@H]2C(=O)N2CCOCC2)ccc1O ZINC000023336438 570354996 /nfs/dbraw/zinc/35/49/96/570354996.db2.gz KWNYBKVJYXWORR-IBGZPJMESA-N 1 2 382.460 2.187 50 0 GEAALO COc1cc(C[N@H+]2Cc3ccccc3C[C@H]2C(=O)N2CCOCC2)ccc1O ZINC000023336438 570354998 /nfs/dbraw/zinc/35/49/98/570354998.db2.gz KWNYBKVJYXWORR-IBGZPJMESA-N 1 2 382.460 2.187 50 0 GEAALO O=C(C[NH+]1CCN(c2ccc(C3CC3)nn2)CC1)NCc1ccc(Cl)cc1 ZINC000575618297 570362970 /nfs/dbraw/zinc/36/29/70/570362970.db2.gz AKOCTTRPFBOIBB-UHFFFAOYSA-N 1 2 385.899 2.446 50 0 GEAALO Cc1oc(NC(=O)C[N@H+](C)CCOc2ccc(F)cc2)c2c1c(C)n[nH]c2=O ZINC000010922226 570369493 /nfs/dbraw/zinc/36/94/93/570369493.db2.gz VKOYIFYKTFCNOK-UHFFFAOYSA-N 1 2 388.399 2.221 50 0 GEAALO Cc1oc(NC(=O)C[N@@H+](C)CCOc2ccc(F)cc2)c2c1c(C)n[nH]c2=O ZINC000010922226 570369496 /nfs/dbraw/zinc/36/94/96/570369496.db2.gz VKOYIFYKTFCNOK-UHFFFAOYSA-N 1 2 388.399 2.221 50 0 GEAALO O=C([C@H]1CC(=O)N(C2CCCC2)C1)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000024136499 570379564 /nfs/dbraw/zinc/37/95/64/570379564.db2.gz PUNKIFWSLQYSKD-IBGZPJMESA-N 1 2 397.519 2.057 50 0 GEAALO Cc1cc(CNC(=O)N2CC[NH+](CCOc3ccc4c(c3)CCC4)CC2)no1 ZINC000069932166 570406132 /nfs/dbraw/zinc/40/61/32/570406132.db2.gz QAMLLWRIBWFBIH-UHFFFAOYSA-N 1 2 384.480 2.378 50 0 GEAALO O=C(C[NH+]1CCC(NS(=O)(=O)c2cccs2)CC1)NC1CCCCCC1 ZINC000054146691 570450513 /nfs/dbraw/zinc/45/05/13/570450513.db2.gz NTLRWDWSFDIBIC-UHFFFAOYSA-N 1 2 399.582 2.330 50 0 GEAALO O=C([C@@H]1CC(=O)N(C2CCCCCC2)C1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000072277571 570463110 /nfs/dbraw/zinc/46/31/10/570463110.db2.gz KRAVHLJHWCWFKX-UYAOXDASSA-N 1 2 391.556 2.271 50 0 GEAALO O=C([C@H]1CC(=O)N(C2CCCCCC2)C1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000072277572 570463126 /nfs/dbraw/zinc/46/31/26/570463126.db2.gz KRAVHLJHWCWFKX-AZUAARDMSA-N 1 2 391.556 2.271 50 0 GEAALO CCOC(=O)C1=C(C[N@H+](C)CCOc2ccccc2Cl)NC(=O)N[C@@H]1C ZINC000029154106 570469316 /nfs/dbraw/zinc/46/93/16/570469316.db2.gz BOZSSMWWRLURMO-GFCCVEGCSA-N 1 2 381.860 2.169 50 0 GEAALO CCOC(=O)C1=C(C[N@@H+](C)CCOc2ccccc2Cl)NC(=O)N[C@@H]1C ZINC000029154106 570469317 /nfs/dbraw/zinc/46/93/17/570469317.db2.gz BOZSSMWWRLURMO-GFCCVEGCSA-N 1 2 381.860 2.169 50 0 GEAALO Cc1cccc(Cn2c(C[N@H+]3CCCC[C@H]3C)nc3c2c(=O)n(C)c(=O)n3C)c1 ZINC000006199736 570471955 /nfs/dbraw/zinc/47/19/55/570471955.db2.gz VSJXBVQTBZGVPQ-MRXNPFEDSA-N 1 2 395.507 2.165 50 0 GEAALO Cc1cccc(Cn2c(C[N@@H+]3CCCC[C@H]3C)nc3c2c(=O)n(C)c(=O)n3C)c1 ZINC000006199736 570471958 /nfs/dbraw/zinc/47/19/58/570471958.db2.gz VSJXBVQTBZGVPQ-MRXNPFEDSA-N 1 2 395.507 2.165 50 0 GEAALO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc2c(c1)OCC(=O)N2)c1ccccc1F ZINC000029999710 570484002 /nfs/dbraw/zinc/48/40/02/570484002.db2.gz PDHRFAZSOWUSQL-SFHVURJKSA-N 1 2 380.379 2.410 50 0 GEAALO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC000030216622 570487433 /nfs/dbraw/zinc/48/74/33/570487433.db2.gz HIYRJVFSOHWUJS-SFHVURJKSA-N 1 2 378.432 2.189 50 0 GEAALO COc1ccc(S(=O)(=O)NCc2ccccc2C[NH+]2CCOCC2)cc1C ZINC000030324586 570488583 /nfs/dbraw/zinc/48/85/83/570488583.db2.gz ZZOBBQCMUWEJRX-UHFFFAOYSA-N 1 2 390.505 2.314 50 0 GEAALO CC[C@H](C)[C@H]1[NH2+]C2(CCN(S(=O)(=O)c3ccccc3)CC2)N(CC)C1=O ZINC000036029105 570514023 /nfs/dbraw/zinc/51/40/23/570514023.db2.gz QDRCHFOUHFSAMP-DOTOQJQBSA-N 1 2 379.526 2.034 50 0 GEAALO CC(C)c1ccc(NC(=O)[C@H](C)N2CC[NH+](CC(=O)N3CCCC3)CC2)cc1 ZINC000022788088 570547411 /nfs/dbraw/zinc/54/74/11/570547411.db2.gz INCVFZVGDGLMBW-SFHVURJKSA-N 1 2 386.540 2.377 50 0 GEAALO COc1ccc(OC)c([C@H]2CCCN2C(=O)NC[C@@H](C)[NH+]2CCOCC2)c1 ZINC000046264837 570550825 /nfs/dbraw/zinc/55/08/25/570550825.db2.gz CTKXICNVDIXQOW-CRAIPNDOSA-N 1 2 377.485 2.271 50 0 GEAALO COc1ccc(NC2=[NH+][C@@H](C(=O)Nc3cc(OC)ccc3OC)C=C(O)N2)cc1 ZINC000009192454 570551778 /nfs/dbraw/zinc/55/17/78/570551778.db2.gz BHDBKLUPHLVUAP-MRXNPFEDSA-N 1 2 398.419 2.008 50 0 GEAALO C[C@@H]1CCCc2sc3nc(SCC[NH+]4CCOCC4)n(N)c(=O)c3c21 ZINC000036646179 570567418 /nfs/dbraw/zinc/56/74/18/570567418.db2.gz HAAINQLXPPJNMP-LLVKDONJSA-N 1 2 380.539 2.036 50 0 GEAALO CC(C)CC(=O)N1CC[NH+]([C@H](C(=O)NCc2ccccn2)C2CCCC2)CC1 ZINC000036253382 570587509 /nfs/dbraw/zinc/58/75/09/570587509.db2.gz CGDDWYNQJVQTRS-NRFANRHFSA-N 1 2 386.540 2.447 50 0 GEAALO O=C(NCc1ccccn1)[C@H](C1CCCC1)[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000036253365 570587528 /nfs/dbraw/zinc/58/75/28/570587528.db2.gz NWPNCESMLILGRJ-FQEVSTJZSA-N 1 2 384.524 2.201 50 0 GEAALO CNC(=O)[C@H](C1CCCC1)[NH+]1CCN(C(=O)COc2ccc(Cl)cc2)CC1 ZINC000036256603 570588451 /nfs/dbraw/zinc/58/84/51/570588451.db2.gz JNFACGJAUABTEB-IBGZPJMESA-N 1 2 393.915 2.168 50 0 GEAALO CC(C)[N@H+](C)Cc1nnnn1CC(=O)NC(c1ccccc1)c1ccccc1 ZINC000011878981 570590460 /nfs/dbraw/zinc/59/04/60/570590460.db2.gz ZWFLKIPWGCQFQQ-UHFFFAOYSA-N 1 2 378.480 2.419 50 0 GEAALO CC(C)[N@@H+](C)Cc1nnnn1CC(=O)NC(c1ccccc1)c1ccccc1 ZINC000011878981 570590462 /nfs/dbraw/zinc/59/04/62/570590462.db2.gz ZWFLKIPWGCQFQQ-UHFFFAOYSA-N 1 2 378.480 2.419 50 0 GEAALO COc1cc(C[N@@H+]2CCN(Cc3cccc(C)n3)C[C@H]2CCO)cc(OC)c1 ZINC000039460733 570591958 /nfs/dbraw/zinc/59/19/58/570591958.db2.gz VWAQXOLNEGRISL-HXUWFJFHSA-N 1 2 385.508 2.476 50 0 GEAALO COc1cc(C[N@H+]2CCN(Cc3cccc(C)n3)C[C@H]2CCO)cc(OC)c1 ZINC000039460733 570591960 /nfs/dbraw/zinc/59/19/60/570591960.db2.gz VWAQXOLNEGRISL-HXUWFJFHSA-N 1 2 385.508 2.476 50 0 GEAALO O=C(CC[C@H]1CCCN(c2cnccn2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000012005010 570598425 /nfs/dbraw/zinc/59/84/25/570598425.db2.gz CEFIVRKLSALNEC-GOSISDBHSA-N 1 2 380.496 2.217 50 0 GEAALO Cc1nn2c(ncc3c2ccn(CC[NH+]2CCOCC2)c3=O)c1-c1ccccc1 ZINC000040396358 570600573 /nfs/dbraw/zinc/60/05/73/570600573.db2.gz AGFBXKUJQLDGMB-UHFFFAOYSA-N 1 2 389.459 2.352 50 0 GEAALO CC(=O)N1CCN(c2[nH+]cccc2CNC(=O)CCCc2ccccc2)CC1 ZINC000012053571 570601545 /nfs/dbraw/zinc/60/15/45/570601545.db2.gz FPOJYHDCJUHFGX-UHFFFAOYSA-N 1 2 380.492 2.389 50 0 GEAALO Cc1nn(C)cc1CN(C)C(=O)c1cc(Cn2c(C)[nH+]c3ccccc32)n[nH]1 ZINC000012203243 570625158 /nfs/dbraw/zinc/62/51/58/570625158.db2.gz IEAROVUOMTXGHC-UHFFFAOYSA-N 1 2 377.452 2.430 50 0 GEAALO CCn1ccnc1C[N@@H+]1CCC[C@H](CNS(=O)(=O)Cc2ccccc2)C1 ZINC000012305210 570638140 /nfs/dbraw/zinc/63/81/40/570638140.db2.gz WYRIBRNZSNDWDI-GOSISDBHSA-N 1 2 376.526 2.235 50 0 GEAALO CCn1ccnc1C[N@H+]1CCC[C@H](CNS(=O)(=O)Cc2ccccc2)C1 ZINC000012305210 570638143 /nfs/dbraw/zinc/63/81/43/570638143.db2.gz WYRIBRNZSNDWDI-GOSISDBHSA-N 1 2 376.526 2.235 50 0 GEAALO COc1ccc([C@@H](NC(=O)CCCNC(=O)c2ccco2)c2[nH+]ccn2C)cc1 ZINC000012627596 570691932 /nfs/dbraw/zinc/69/19/32/570691932.db2.gz KSRXTOWIJMEIJV-LJQANCHMSA-N 1 2 396.447 2.438 50 0 GEAALO CC(C)(C)NC(=O)NC(=O)C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000036408703 570692151 /nfs/dbraw/zinc/69/21/51/570692151.db2.gz BISMGWCUDKPRJV-UHFFFAOYSA-N 1 2 386.418 2.452 50 0 GEAALO COCCn1c[nH+]cc1CN1CCN(c2nccc(-c3ccccc3)n2)CC1 ZINC000244874431 570698013 /nfs/dbraw/zinc/69/80/13/570698013.db2.gz XBDHUSDAHHLFBW-UHFFFAOYSA-N 1 2 378.480 2.309 50 0 GEAALO Cc1cc2ncc(C(=O)N[C@H](C[NH+]3CCOCC3)c3ccccc3)c(C)n2n1 ZINC000025387499 570749415 /nfs/dbraw/zinc/74/94/15/570749415.db2.gz DYLXIIRCAZQQAM-LJQANCHMSA-N 1 2 379.464 2.149 50 0 GEAALO Cc1nn(C(F)F)cc1S(=O)(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000036614845 570750729 /nfs/dbraw/zinc/75/07/29/570750729.db2.gz LNMVBOKEYYOHCU-UHFFFAOYSA-N 1 2 384.452 2.402 50 0 GEAALO Cc1cnccc1C[N@H+](C)Cc1c(C(=O)N2CCOCC2)nc2ccccn21 ZINC000064137318 570753696 /nfs/dbraw/zinc/75/36/96/570753696.db2.gz ASBHSMYZUWGUCC-UHFFFAOYSA-N 1 2 379.464 2.142 50 0 GEAALO Cc1cnccc1C[N@@H+](C)Cc1c(C(=O)N2CCOCC2)nc2ccccn21 ZINC000064137318 570753702 /nfs/dbraw/zinc/75/37/02/570753702.db2.gz ASBHSMYZUWGUCC-UHFFFAOYSA-N 1 2 379.464 2.142 50 0 GEAALO CCn1c(=O)[nH]nc1CC1CCN(C(=O)c2ccccc2-c2[nH]cc[nH+]2)CC1 ZINC000065396008 570765721 /nfs/dbraw/zinc/76/57/21/570765721.db2.gz LFZLERUTUWXZBR-UHFFFAOYSA-N 1 2 380.452 2.076 50 0 GEAALO O=C(C1=COCCO1)N(CCC[NH+]1CCOCC1)c1nc2ccccc2s1 ZINC000022997280 570775637 /nfs/dbraw/zinc/77/56/37/570775637.db2.gz AFAHQUGJKRRXPL-UHFFFAOYSA-N 1 2 389.477 2.240 50 0 GEAALO COc1cccc(C(=O)N[C@H]2C[C@@H](C(=O)NCc3cc(F)ccc3C)[N@H+](C)C2)c1 ZINC000067562003 570781977 /nfs/dbraw/zinc/78/19/77/570781977.db2.gz CSZCKXHTRRPAFE-ICSRJNTNSA-N 1 2 399.466 2.262 50 0 GEAALO COc1cccc(C(=O)N[C@H]2C[C@@H](C(=O)NCc3cc(F)ccc3C)[N@@H+](C)C2)c1 ZINC000067562003 570781981 /nfs/dbraw/zinc/78/19/81/570781981.db2.gz CSZCKXHTRRPAFE-ICSRJNTNSA-N 1 2 399.466 2.262 50 0 GEAALO CS(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2csc(Cc3ccccc3)n2)C1 ZINC000052695701 570790499 /nfs/dbraw/zinc/79/04/99/570790499.db2.gz OGICNFRQBQGVBG-INIZCTEOSA-N 1 2 379.551 2.495 50 0 GEAALO CS(=O)(=O)NC[C@@H]1CCC[N@@H+](Cc2csc(Cc3ccccc3)n2)C1 ZINC000052695701 570790501 /nfs/dbraw/zinc/79/05/01/570790501.db2.gz OGICNFRQBQGVBG-INIZCTEOSA-N 1 2 379.551 2.495 50 0 GEAALO Cc1ccc(Cl)cc1NC(=O)[C@@H](C)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000022933611 570817645 /nfs/dbraw/zinc/81/76/45/570817645.db2.gz PCSFOEQINKNDJL-MRXNPFEDSA-N 1 2 392.931 2.215 50 0 GEAALO C[C@@H](NC(=O)CN1C(=O)NC2(CCCCC2)C1=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000012541065 570841044 /nfs/dbraw/zinc/84/10/44/570841044.db2.gz CYXURGHUIAAIKC-OAHLLOKOSA-N 1 2 395.463 2.304 50 0 GEAALO C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)Cc2coc3cc4c(cc23)CCC4)CC1 ZINC000032869221 570864256 /nfs/dbraw/zinc/86/42/56/570864256.db2.gz IRBUJOXBIWWUGB-OAHLLOKOSA-N 1 2 395.503 2.275 50 0 GEAALO Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000032934643 570947339 /nfs/dbraw/zinc/94/73/39/570947339.db2.gz ZWCMDLFJFKMMNX-ZDUSSCGKSA-N 1 2 379.873 2.183 50 0 GEAALO Cc1noc(C)c1S(=O)(=O)NC[C@@H](c1ccc2c(c1)OCO2)[NH+]1CCCC1 ZINC000012197544 570962947 /nfs/dbraw/zinc/96/29/47/570962947.db2.gz HASMUHMPMVJVJN-HNNXBMFYSA-N 1 2 393.465 2.136 50 0 GEAALO Cc1noc(C)c1S(=O)(=O)NC[C@H](c1ccc2c(c1)OCO2)[NH+]1CCCC1 ZINC000012197539 570963084 /nfs/dbraw/zinc/96/30/84/570963084.db2.gz HASMUHMPMVJVJN-OAHLLOKOSA-N 1 2 393.465 2.136 50 0 GEAALO COc1c2c(c(NC(=O)C3Oc4ccccc4O3)c3c1C[N@H+](C)CC3)OCO2 ZINC000032124038 570963424 /nfs/dbraw/zinc/96/34/24/570963424.db2.gz LPNYRWCOGXHGRU-UHFFFAOYSA-N 1 2 384.388 2.148 50 0 GEAALO COc1c2c(c(NC(=O)C3Oc4ccccc4O3)c3c1C[N@@H+](C)CC3)OCO2 ZINC000032124038 570963428 /nfs/dbraw/zinc/96/34/28/570963428.db2.gz LPNYRWCOGXHGRU-UHFFFAOYSA-N 1 2 384.388 2.148 50 0 GEAALO C[C@H](c1nc(C2CC2)no1)N1CC[NH+](CC(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000106627177 570966185 /nfs/dbraw/zinc/96/61/85/570966185.db2.gz MZFQBOILEHQWEP-OWCLPIDISA-N 1 2 375.517 2.130 50 0 GEAALO CC(C)[C@@H]1C[C@@H](CC(=O)N2CC[NH+]([C@H](C)C(=O)N3CCCCC3)CC2)CCO1 ZINC000108465800 570988854 /nfs/dbraw/zinc/98/88/54/570988854.db2.gz OBYOUCYCTQPBJX-AABGKKOBSA-N 1 2 393.572 2.373 50 0 GEAALO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)[C@@H]3CC(=O)N(c4cn[nH]c4)C3)n2)C1 ZINC000084697530 571031457 /nfs/dbraw/zinc/03/14/57/571031457.db2.gz JMIQBSWOSORLLG-QWHCGFSZSA-N 1 2 388.497 2.090 50 0 GEAALO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@@H]3CC(=O)N(c4cn[nH]c4)C3)n2)C1 ZINC000084697530 571031461 /nfs/dbraw/zinc/03/14/61/571031461.db2.gz JMIQBSWOSORLLG-QWHCGFSZSA-N 1 2 388.497 2.090 50 0 GEAALO CCNC(=O)C[N@@H+]1CCCN(C(=O)/C=C\c2ccc(Br)cc2)CC1 ZINC000046406621 642611219 /nfs/dbraw/zinc/61/12/19/642611219.db2.gz XVONNBWKQFKRDO-TWGQIWQCSA-N 1 2 394.313 2.133 50 0 GEAALO CCNC(=O)C[N@H+]1CCCN(C(=O)/C=C\c2ccc(Br)cc2)CC1 ZINC000046406621 642611223 /nfs/dbraw/zinc/61/12/23/642611223.db2.gz XVONNBWKQFKRDO-TWGQIWQCSA-N 1 2 394.313 2.133 50 0 GEAALO Cn1cc[nH+]c1CN1CCN(C(=O)c2ccc(-c3ccc(=O)[nH]c3)cc2)CC1 ZINC000426647347 231249588 /nfs/dbraw/zinc/24/95/88/231249588.db2.gz RWHDLDXCGYTSFD-UHFFFAOYSA-N 1 2 377.448 2.146 50 0 GEAALO CCc1ccc(C[N@@H+]2CCc3c(C(=O)N4CCNC(=O)[C@@H]4C)csc3C2)nc1 ZINC000426584057 529643355 /nfs/dbraw/zinc/64/33/55/529643355.db2.gz RAVOWCBQXMYXKE-AWEZNQCLSA-N 1 2 398.532 2.224 50 0 GEAALO CCc1ccc(C[N@H+]2CCc3c(C(=O)N4CCNC(=O)[C@@H]4C)csc3C2)nc1 ZINC000426584057 529643357 /nfs/dbraw/zinc/64/33/57/529643357.db2.gz RAVOWCBQXMYXKE-AWEZNQCLSA-N 1 2 398.532 2.224 50 0 GEAALO CCc1ccc(C[N@@H+]2CCc3c(C(=O)N4CCN(C)C(=O)C4)csc3C2)nc1 ZINC000426495870 529643592 /nfs/dbraw/zinc/64/35/92/529643592.db2.gz VBOHLMYKCZYWGL-UHFFFAOYSA-N 1 2 398.532 2.178 50 0 GEAALO CCc1ccc(C[N@H+]2CCc3c(C(=O)N4CCN(C)C(=O)C4)csc3C2)nc1 ZINC000426495870 529643594 /nfs/dbraw/zinc/64/35/94/529643594.db2.gz VBOHLMYKCZYWGL-UHFFFAOYSA-N 1 2 398.532 2.178 50 0 GEAALO O=C(c1ccco1)N1CCC[C@@H](N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000019217618 210230432 /nfs/dbraw/zinc/23/04/32/210230432.db2.gz BLBQAVZEDVHBEG-GOSISDBHSA-N 1 2 397.475 2.431 50 0 GEAALO O=C1C[C@H]([NH+]2CCN(c3ccccc3O)CC2)C(=O)N1c1cccc(Cl)c1 ZINC000018325113 210220164 /nfs/dbraw/zinc/22/01/64/210220164.db2.gz FQWAEFIWHHTROB-KRWDZBQOSA-N 1 2 385.851 2.500 50 0 GEAALO CNC(=O)CCN(C)C(=O)c1csc2c1CC[N@H+](Cc1c(C)noc1C)C2 ZINC000426613041 529856785 /nfs/dbraw/zinc/85/67/85/529856785.db2.gz ZMJXXFGACNJVCG-UHFFFAOYSA-N 1 2 390.509 2.119 50 0 GEAALO CNC(=O)CCN(C)C(=O)c1csc2c1CC[N@@H+](Cc1c(C)noc1C)C2 ZINC000426613041 529856786 /nfs/dbraw/zinc/85/67/86/529856786.db2.gz ZMJXXFGACNJVCG-UHFFFAOYSA-N 1 2 390.509 2.119 50 0 GEAALO O=C(c1cc(-c2cccnc2)n[nH]1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000015785499 210169543 /nfs/dbraw/zinc/16/95/43/210169543.db2.gz YTNMLRSFQDBCQC-UHFFFAOYSA-N 1 2 391.431 2.158 50 0 GEAALO Cc1ccc(-n2ncc(C(=O)NCC[NH+]3CCOCC3)c2-n2cccc2)cc1 ZINC000015681339 210161683 /nfs/dbraw/zinc/16/16/83/210161683.db2.gz NPIGRHNMULRIID-UHFFFAOYSA-N 1 2 379.464 2.033 50 0 GEAALO CC[N@H+](CC(=O)NN1C(=O)NC2(CCC(C)CC2)C1=O)Cc1cccc(F)c1 ZINC000015520095 210157887 /nfs/dbraw/zinc/15/78/87/210157887.db2.gz CFNRUQCZAGUOKW-UHFFFAOYSA-N 1 2 390.459 2.180 50 0 GEAALO CC[N@@H+](CC(=O)NN1C(=O)NC2(CCC(C)CC2)C1=O)Cc1cccc(F)c1 ZINC000015520095 210157891 /nfs/dbraw/zinc/15/78/91/210157891.db2.gz CFNRUQCZAGUOKW-UHFFFAOYSA-N 1 2 390.459 2.180 50 0 GEAALO COc1ccccc1-c1ccnc(-n2ncc(C(=O)N3CC[NH+](C)CC3)c2C)n1 ZINC000014965965 210135364 /nfs/dbraw/zinc/13/53/64/210135364.db2.gz WQWSWAUQGZBLTA-UHFFFAOYSA-N 1 2 392.463 2.034 50 0 GEAALO Cc1ccc(CNC(=O)[C@@H]2C[C@H](n3cnnn3)C[N@@H+]2Cc2ccsc2)cc1 ZINC000014959184 210132910 /nfs/dbraw/zinc/13/29/10/210132910.db2.gz KDIGLCKAZLICRB-ROUUACIJSA-N 1 2 382.493 2.175 50 0 GEAALO Cc1ccc(CNC(=O)[C@@H]2C[C@H](n3cnnn3)C[N@H+]2Cc2ccsc2)cc1 ZINC000014959184 210132916 /nfs/dbraw/zinc/13/29/16/210132916.db2.gz KDIGLCKAZLICRB-ROUUACIJSA-N 1 2 382.493 2.175 50 0 GEAALO Cc1nn(C)c2nc(C)cc(C(=O)N3CC[NH+](CCOc4ccccc4)CC3)c12 ZINC000014899213 210130830 /nfs/dbraw/zinc/13/08/30/210130830.db2.gz MSKIGEGYXXPQGS-UHFFFAOYSA-N 1 2 393.491 2.422 50 0 GEAALO O=C1N[C@@H](Cc2ccccc2)C(=O)N2CC[N@@H+](Cc3ccccc3Cl)C[C@H]12 ZINC000014537456 210119586 /nfs/dbraw/zinc/11/95/86/210119586.db2.gz ZNEJCULBNBFPRE-RBUKOAKNSA-N 1 2 383.879 2.094 50 0 GEAALO O=C1N[C@@H](Cc2ccccc2)C(=O)N2CC[N@H+](Cc3ccccc3Cl)C[C@H]12 ZINC000014537456 210119590 /nfs/dbraw/zinc/11/95/90/210119590.db2.gz ZNEJCULBNBFPRE-RBUKOAKNSA-N 1 2 383.879 2.094 50 0 GEAALO O=C(NCCCn1cc[nH+]c1)[C@H]1CC(=O)N(CCc2c[nH]c3ccc(F)cc23)C1 ZINC000013944868 210098043 /nfs/dbraw/zinc/09/80/43/210098043.db2.gz IFGGORRXHGJGEZ-INIZCTEOSA-N 1 2 397.454 2.101 50 0 GEAALO COc1ccccc1N1CC[NH+](CC(=O)Nc2ccc3nsnc3c2)CC1 ZINC000013324536 210056977 /nfs/dbraw/zinc/05/69/77/210056977.db2.gz BBHHJZAJHPXATF-UHFFFAOYSA-N 1 2 383.477 2.461 50 0 GEAALO COc1ccccc1CNC(=O)CN1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000012998840 210043747 /nfs/dbraw/zinc/04/37/47/210043747.db2.gz KVSRHDJSTIDWPC-UHFFFAOYSA-N 1 2 397.523 2.355 50 0 GEAALO C[NH+]1CCN(c2cnn(CCOc3ccc(Cl)cc3)c(=O)c2Cl)CC1 ZINC000012942692 210034551 /nfs/dbraw/zinc/03/45/51/210034551.db2.gz PJYNKAOUQTXJQF-UHFFFAOYSA-N 1 2 383.279 2.381 50 0 GEAALO CCCOc1ccc(Br)cc1[C@@H]1C(C(N)=O)=C(C)[NH+]=C2N=CNN21 ZINC000004368724 531513559 /nfs/dbraw/zinc/51/35/59/531513559.db2.gz AYMKLTMUJDVVJJ-CQSZACIVSA-N 1 2 392.257 2.256 50 0 GEAALO O=C(CN1CC[NH+](Cc2ccco2)CC1)Nc1ccc(Br)cn1 ZINC000022923081 531594200 /nfs/dbraw/zinc/59/42/00/531594200.db2.gz MVDPFNIHTPMMPB-UHFFFAOYSA-N 1 2 379.258 2.193 50 0 GEAALO C[C@@]1(C2CC2)NC(=O)N(CN2CC[NH+](Cc3ccc(Cl)s3)CC2)C1=O ZINC000022932300 531594310 /nfs/dbraw/zinc/59/43/10/531594310.db2.gz FZPQULBSFFADHO-KRWDZBQOSA-N 1 2 382.917 2.197 50 0 GEAALO COc1c(Br)cc(Cl)cc1S(=O)(=O)NCCn1cc[nH+]c1 ZINC000024371467 531603451 /nfs/dbraw/zinc/60/34/51/531603451.db2.gz YRRLOQHCCUGWTN-UHFFFAOYSA-N 1 2 394.678 2.286 50 0 GEAALO CCC[N@H+](CC(=O)Nc1cc(Cl)ccc1Cl)CC(=O)N1CCNC1=O ZINC000025221560 531613703 /nfs/dbraw/zinc/61/37/03/531613703.db2.gz AGMRRRFSXABZBJ-UHFFFAOYSA-N 1 2 387.267 2.196 50 0 GEAALO CCC[N@@H+](CC(=O)Nc1cc(Cl)ccc1Cl)CC(=O)N1CCNC1=O ZINC000025221560 531613713 /nfs/dbraw/zinc/61/37/13/531613713.db2.gz AGMRRRFSXABZBJ-UHFFFAOYSA-N 1 2 387.267 2.196 50 0 GEAALO O=C(NCc1cc[nH+]c(N2CCOCC2)c1)c1cncc(Br)c1 ZINC000025290217 531613752 /nfs/dbraw/zinc/61/37/52/531613752.db2.gz IFISLQMANYTSLD-UHFFFAOYSA-N 1 2 377.242 2.006 50 0 GEAALO O=C(CNC(=O)c1cccc(Br)c1)NCc1cn2ccccc2[nH+]1 ZINC000008746403 209796885 /nfs/dbraw/zinc/79/68/85/209796885.db2.gz JEZQDGHIHRCMGJ-UHFFFAOYSA-N 1 2 387.237 2.143 50 0 GEAALO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)CCn1cc[nH+]c1 ZINC000060631648 531847214 /nfs/dbraw/zinc/84/72/14/531847214.db2.gz VVARMGWSIJKANC-UHFFFAOYSA-N 1 2 379.258 2.441 50 0 GEAALO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1cnc2ccc(Br)cc2c1O ZINC000170594477 531883600 /nfs/dbraw/zinc/88/36/00/531883600.db2.gz WKZYRAHANNTUIG-NSHDSACASA-N 1 2 394.269 2.153 50 0 GEAALO Cc1ccc(Cn2c(C[N@H+]3CCCC[C@@H]3C)nc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000002438208 209364362 /nfs/dbraw/zinc/36/43/62/209364362.db2.gz HZWRMWGYIQMSTL-INIZCTEOSA-N 1 2 395.507 2.165 50 0 GEAALO Cc1ccc(Cn2c(C[N@@H+]3CCCC[C@@H]3C)nc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000002438208 209364364 /nfs/dbraw/zinc/36/43/64/209364364.db2.gz HZWRMWGYIQMSTL-INIZCTEOSA-N 1 2 395.507 2.165 50 0 GEAALO C[C@H]1CCCC[N@@H+]1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1CCc1ccccc1 ZINC000002330446 209356955 /nfs/dbraw/zinc/35/69/55/209356955.db2.gz LUNAPIQNCVVJLA-INIZCTEOSA-N 1 2 395.507 2.051 50 0 GEAALO C[C@H]1CCCC[N@H+]1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1CCc1ccccc1 ZINC000002330446 209356959 /nfs/dbraw/zinc/35/69/59/209356959.db2.gz LUNAPIQNCVVJLA-INIZCTEOSA-N 1 2 395.507 2.051 50 0 GEAALO COc1ccccc1NC(=O)c1ccc(NC(=O)C[N@H+](CC(N)=O)C(C)C)cc1 ZINC000009377747 209277977 /nfs/dbraw/zinc/27/79/77/209277977.db2.gz RQXVBCUACOOIMO-UHFFFAOYSA-N 1 2 398.463 2.082 50 0 GEAALO COc1ccccc1NC(=O)c1ccc(NC(=O)C[N@@H+](CC(N)=O)C(C)C)cc1 ZINC000009377747 209277984 /nfs/dbraw/zinc/27/79/84/209277984.db2.gz RQXVBCUACOOIMO-UHFFFAOYSA-N 1 2 398.463 2.082 50 0 GEAALO Clc1nc(N2CCCC2)sc1C[N@@H+]1CC[C@@H]2OCc3cnnn3[C@H]2C1 ZINC000299802397 212041218 /nfs/dbraw/zinc/04/12/18/212041218.db2.gz ZGACUNSEAFCGEX-STQMWFEESA-N 1 2 380.905 2.334 50 0 GEAALO Clc1nc(N2CCCC2)sc1C[N@H+]1CC[C@@H]2OCc3cnnn3[C@H]2C1 ZINC000299802397 212041222 /nfs/dbraw/zinc/04/12/22/212041222.db2.gz ZGACUNSEAFCGEX-STQMWFEESA-N 1 2 380.905 2.334 50 0 GEAALO CCC(=O)NCc1cc2n(n1)CC[N@H+](Cc1cnn(-c3cccc(C)c3)c1)C2 ZINC000299796508 212039877 /nfs/dbraw/zinc/03/98/77/212039877.db2.gz NTYIDRMGHQOQIR-UHFFFAOYSA-N 1 2 378.480 2.419 50 0 GEAALO CCC(=O)NCc1cc2n(n1)CC[N@@H+](Cc1cnn(-c3cccc(C)c3)c1)C2 ZINC000299796508 212039881 /nfs/dbraw/zinc/03/98/81/212039881.db2.gz NTYIDRMGHQOQIR-UHFFFAOYSA-N 1 2 378.480 2.419 50 0 GEAALO CS(=O)(=O)N1CCCC[C@H]1CCNC(=O)c1cccc(-c2[nH]cc[nH+]2)c1 ZINC000097551445 211367010 /nfs/dbraw/zinc/36/70/10/211367010.db2.gz JXIWFIZRTVHOLE-INIZCTEOSA-N 1 2 376.482 2.011 50 0 GEAALO Cc1cc(/C=C\C(=O)N2CC[NH+](CC(=O)N3CCCC3)CC2)c(C)n1C1CC1 ZINC000096871592 211349502 /nfs/dbraw/zinc/34/95/02/211349502.db2.gz GCOVGOJGHWIMQJ-YVMONPNESA-N 1 2 384.524 2.220 50 0 GEAALO O=C(c1cccnc1)N1CC[NH+](CCNc2cc(=O)oc3ccccc23)CC1 ZINC000096834549 211346237 /nfs/dbraw/zinc/34/62/37/211346237.db2.gz BYAROIFIWTUYNJ-UHFFFAOYSA-N 1 2 378.432 2.058 50 0 GEAALO CCNC(=O)[C@@H]1C[C@H](NC(=O)Cc2cccs2)C[N@@H+]1Cc1ccsc1 ZINC000096166631 211316225 /nfs/dbraw/zinc/31/62/25/211316225.db2.gz ZKIKOGLPTJLZFQ-HOCLYGCPSA-N 1 2 377.535 2.248 50 0 GEAALO CCNC(=O)[C@@H]1C[C@H](NC(=O)Cc2cccs2)C[N@H+]1Cc1ccsc1 ZINC000096166631 211316230 /nfs/dbraw/zinc/31/62/30/211316230.db2.gz ZKIKOGLPTJLZFQ-HOCLYGCPSA-N 1 2 377.535 2.248 50 0 GEAALO CCn1c(C[NH+]2CCCC2)nnc1C1CCN(C(=O)c2ccc[nH]c2=O)CC1 ZINC000096161970 211313722 /nfs/dbraw/zinc/31/37/22/211313722.db2.gz IFHMDUMFOTUXCX-UHFFFAOYSA-N 1 2 384.484 2.014 50 0 GEAALO Cc1[nH+]c2ccccn2c1CC(=O)N1C[C@@H]2c3ccccc3OC[C@]2(CO)C1 ZINC000096151772 211311874 /nfs/dbraw/zinc/31/18/74/211311874.db2.gz LUKSJVXZZVHIMS-VGOFRKELSA-N 1 2 377.444 2.182 50 0 GEAALO Cn1c(C[NH+]2CCCCC2)nnc1C1CCN(C(=O)Cc2cccnc2)CC1 ZINC000096131051 211304083 /nfs/dbraw/zinc/30/40/83/211304083.db2.gz PMQJYVOYOWFVSS-UHFFFAOYSA-N 1 2 382.512 2.145 50 0 GEAALO O=C(Nc1cccc(-c2c[nH]c[nH+]2)c1)N1CCCN(C(=O)[C@H]2CCCO2)CC1 ZINC000096131078 211303700 /nfs/dbraw/zinc/30/37/00/211303700.db2.gz ZJRZEDVBZLBCTA-GOSISDBHSA-N 1 2 383.452 2.322 50 0 GEAALO CCn1c(Cn2cc[nH+]c2)nnc1C1CCN(C(=O)Cc2ccccc2)CC1 ZINC000096141148 211308194 /nfs/dbraw/zinc/30/81/94/211308194.db2.gz XSBKSIBJMJLWKN-UHFFFAOYSA-N 1 2 378.480 2.492 50 0 GEAALO Cc1sc2nc(C[NH+]3CCCC3)nc(NCCCc3nc(=O)[nH][nH]3)c2c1C ZINC000095963825 211289588 /nfs/dbraw/zinc/28/95/88/211289588.db2.gz VMSXQTIPYVRZJK-UHFFFAOYSA-N 1 2 387.513 2.360 50 0 GEAALO O=C(c1ccsc1)N1CCN(C(=O)c2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000095957343 211287174 /nfs/dbraw/zinc/28/71/74/211287174.db2.gz WGGXFGQFYMCJHO-UHFFFAOYSA-N 1 2 399.516 2.179 50 0 GEAALO COc1ccc(C(=O)N2CCCC2)c(OC2CC[NH+](Cc3nnc(C)[nH]3)CC2)c1 ZINC000095530344 211274161 /nfs/dbraw/zinc/27/41/61/211274161.db2.gz NFKULQUTCUFTEI-UHFFFAOYSA-N 1 2 399.495 2.401 50 0 GEAALO Nc1[nH+]cccc1CNC(=O)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1 ZINC000095519813 211267896 /nfs/dbraw/zinc/26/78/96/211267896.db2.gz FBIOIFKCJIXYQN-UHFFFAOYSA-N 1 2 394.475 2.374 50 0 GEAALO Cc1cc(C(=O)N2CCC[C@H](c3[nH+]ccn3CC(N)=O)C2)c2ccccc2n1 ZINC000095499419 211252442 /nfs/dbraw/zinc/25/24/42/211252442.db2.gz BYEZWFQLNKLNLO-HNNXBMFYSA-N 1 2 377.448 2.245 50 0 GEAALO CCC(=O)N1CCc2[nH]c[nH+]c2C12CCN(C(=O)c1cc(C(C)C)no1)CC2 ZINC000095517660 211263531 /nfs/dbraw/zinc/26/35/31/211263531.db2.gz KBNHIBFTAAASIT-UHFFFAOYSA-N 1 2 385.468 2.447 50 0 GEAALO Cc1nnc(-c2ccc(NC(=O)N3CCN(Cc4[nH+]ccn4C)CC3)cc2)o1 ZINC000095506646 211257609 /nfs/dbraw/zinc/25/76/09/211257609.db2.gz ZAFUUVXSPUOGDW-UHFFFAOYSA-N 1 2 381.440 2.128 50 0 GEAALO NC(=O)Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2cc(-c3ccccc3)on2)C1 ZINC000095502597 211256022 /nfs/dbraw/zinc/25/60/22/211256022.db2.gz ZOKKGVBVDLRUOP-OAHLLOKOSA-N 1 2 379.420 2.043 50 0 GEAALO Cn1nc(C(=O)N2CCC(c3[nH+]ccn3Cc3ccccc3)CC2)ccc1=O ZINC000095502942 211255709 /nfs/dbraw/zinc/25/57/09/211255709.db2.gz QYURLRJXRJSKIO-UHFFFAOYSA-N 1 2 377.448 2.045 50 0 GEAALO COC(=O)c1ccc(OC)c(NC(=O)N2CC[NH+](Cc3cccnc3)CC2)c1 ZINC000095501955 211254597 /nfs/dbraw/zinc/25/45/97/211254597.db2.gz XXWXTSGWKZYUHK-UHFFFAOYSA-N 1 2 384.436 2.227 50 0 GEAALO O=C(CCc1cccnc1)N1CCC[C@@]2(CCC(=O)N(CCc3c[nH+]c[nH]3)C2)C1 ZINC000095501541 211253860 /nfs/dbraw/zinc/25/38/60/211253860.db2.gz VKWIELVPRCPRDB-JOCHJYFZSA-N 1 2 395.507 2.211 50 0 GEAALO O=C(CCc1cccnc1)N1CCC[C@@]2(CCC(=O)N(CCc3c[nH]c[nH+]3)C2)C1 ZINC000095501541 211253865 /nfs/dbraw/zinc/25/38/65/211253865.db2.gz VKWIELVPRCPRDB-JOCHJYFZSA-N 1 2 395.507 2.211 50 0 GEAALO Cc1[nH]c2ccccc2c1CC(=O)N1CCC(c2[nH+]ccn2CC(N)=O)CC1 ZINC000095499189 211253755 /nfs/dbraw/zinc/25/37/55/211253755.db2.gz ARQHSVOEXVQHAV-UHFFFAOYSA-N 1 2 379.464 2.107 50 0 GEAALO COc1ccccc1[C@@H]1CNC(=O)c2[nH]c(C3(Cn4cc[nH+]c4)CC3)nc2C1 ZINC000095389468 211237271 /nfs/dbraw/zinc/23/72/71/211237271.db2.gz NGFCYBNQYGGUHL-AWEZNQCLSA-N 1 2 377.448 2.416 50 0 GEAALO C[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)NCc1noc(-c2ccc3c(c2)OCO3)n1 ZINC000095389501 211237287 /nfs/dbraw/zinc/23/72/87/211237287.db2.gz JBZKWDIWGLXXIP-MRXNPFEDSA-N 1 2 392.415 2.138 50 0 GEAALO C[N@H+]1Cc2ccccc2C[C@@H]1C(=O)NCc1noc(-c2ccc3c(c2)OCO3)n1 ZINC000095389501 211237290 /nfs/dbraw/zinc/23/72/90/211237290.db2.gz JBZKWDIWGLXXIP-MRXNPFEDSA-N 1 2 392.415 2.138 50 0 GEAALO Cc1cccc(NC(=O)CN2CC[NH+]([C@@H](C)C(=O)NC3CCCC3)CC2)c1C ZINC000095357400 211224107 /nfs/dbraw/zinc/22/41/07/211224107.db2.gz CJLNSXGEIGAEOW-SFHVURJKSA-N 1 2 386.540 2.307 50 0 GEAALO COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)N(C(=O)CCc2nc(C)n[nH]2)C3)cc1 ZINC000095383379 211235703 /nfs/dbraw/zinc/23/57/03/211235703.db2.gz UAJUVPRRXTYFLN-ZWKOTPCHSA-N 1 2 383.496 2.177 50 0 GEAALO COc1ccc(C[N@H+]2C[C@@H]3CC[C@H](C2)N(C(=O)CCc2nc(C)n[nH]2)C3)cc1 ZINC000095383379 211235709 /nfs/dbraw/zinc/23/57/09/211235709.db2.gz UAJUVPRRXTYFLN-ZWKOTPCHSA-N 1 2 383.496 2.177 50 0 GEAALO O=C([C@H]1CCCCO1)N1CCC2(CCC(=O)N(CCCn3cc[nH+]c3)C2)CC1 ZINC000095382887 211232496 /nfs/dbraw/zinc/23/24/96/211232496.db2.gz YCMCCXRUFLSAFN-GOSISDBHSA-N 1 2 388.512 2.074 50 0 GEAALO O=C(c1cccc(S(=O)(=O)NCc2[nH]cc[nH+]2)c1)N1CCCCCCC1 ZINC000095372317 211227762 /nfs/dbraw/zinc/22/77/62/211227762.db2.gz LFWKLAJLVMGSTO-UHFFFAOYSA-N 1 2 376.482 2.295 50 0 GEAALO CCc1cc(C(=O)N2CCC[C@H](c3nnc(Cn4cc[nH+]c4)n3C)C2)ccn1 ZINC000095365851 211226393 /nfs/dbraw/zinc/22/63/93/211226393.db2.gz IGICBDXNWRUMMI-INIZCTEOSA-N 1 2 379.468 2.037 50 0 GEAALO Cc1noc(C)c1C[N@@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)c1ccc3[nH]nnc3c1)C2 ZINC000095366710 211224966 /nfs/dbraw/zinc/22/49/66/211224966.db2.gz IZMZNMNWPFSVGD-GOEBONIOSA-N 1 2 380.452 2.299 50 0 GEAALO Cc1noc(C)c1C[N@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)c1ccc3[nH]nnc3c1)C2 ZINC000095366710 211224967 /nfs/dbraw/zinc/22/49/67/211224967.db2.gz IZMZNMNWPFSVGD-GOEBONIOSA-N 1 2 380.452 2.299 50 0 GEAALO CCc1ccc(C(=O)N2CCC3(CCC(=O)N(CCc4c[nH+]c[nH]4)C3)CC2)[nH]1 ZINC000091655856 211201029 /nfs/dbraw/zinc/20/10/29/211201029.db2.gz XALIEFSKWFPQMI-UHFFFAOYSA-N 1 2 383.496 2.388 50 0 GEAALO CCc1ccc(C(=O)N2CCC3(CCC(=O)N(CCc4c[nH]c[nH+]4)C3)CC2)[nH]1 ZINC000091655856 211201034 /nfs/dbraw/zinc/20/10/34/211201034.db2.gz XALIEFSKWFPQMI-UHFFFAOYSA-N 1 2 383.496 2.388 50 0 GEAALO O=C(c1cscn1)N1CCC2(CC1)c1[nH+]c[nH]c1CCN2C(=O)C1CCC1 ZINC000091626416 211199492 /nfs/dbraw/zinc/19/94/92/211199492.db2.gz HXMMNWBWZSPJKA-UHFFFAOYSA-N 1 2 385.493 2.183 50 0 GEAALO O=C(NCc1ccccc1-n1cc[nH+]c1)[C@@H]1CCC(=O)N(Cc2ccccn2)C1 ZINC000091621369 211199420 /nfs/dbraw/zinc/19/94/20/211199420.db2.gz MVWPMBJVIYJPCF-GOSISDBHSA-N 1 2 389.459 2.322 50 0 GEAALO CCOc1cccc(C(=O)N2CCC3(CC2)c2[nH+]c[nH]c2CCN3C(C)=O)c1 ZINC000091460767 211191861 /nfs/dbraw/zinc/19/18/61/211191861.db2.gz GLKIRXRYBFZOSI-UHFFFAOYSA-N 1 2 382.464 2.345 50 0 GEAALO O=C(Cc1cccs1)N1CCC[C@]2(CCC(=O)N(CCc3c[nH+]c[nH]3)C2)C1 ZINC000082106631 211159812 /nfs/dbraw/zinc/15/98/12/211159812.db2.gz NDDXKSLGHOTRSR-FQEVSTJZSA-N 1 2 386.521 2.488 50 0 GEAALO O=C(Cc1cccs1)N1CCC[C@]2(CCC(=O)N(CCc3c[nH]c[nH+]3)C2)C1 ZINC000082106631 211159815 /nfs/dbraw/zinc/15/98/15/211159815.db2.gz NDDXKSLGHOTRSR-FQEVSTJZSA-N 1 2 386.521 2.488 50 0 GEAALO CCc1nc(C[N@@H+]2CCC[C@@]3(CCC(=O)N(CCc4ccccn4)C3)C2)no1 ZINC000077518425 211135692 /nfs/dbraw/zinc/13/56/92/211135692.db2.gz XCHULLACSKISPD-OAQYLSRUSA-N 1 2 383.496 2.474 50 0 GEAALO CCc1nc(C[N@H+]2CCC[C@@]3(CCC(=O)N(CCc4ccccn4)C3)C2)no1 ZINC000077518425 211135697 /nfs/dbraw/zinc/13/56/97/211135697.db2.gz XCHULLACSKISPD-OAQYLSRUSA-N 1 2 383.496 2.474 50 0 GEAALO CCCC[N@@H+]1CCN(Cc2coc(-c3ccccc3)n2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC000072433525 211117196 /nfs/dbraw/zinc/11/71/96/211117196.db2.gz YXIATWOPQUWOGA-MOPGFXCFSA-N 1 2 389.521 2.425 50 0 GEAALO CCCC[N@H+]1CCN(Cc2coc(-c3ccccc3)n2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC000072433525 211117198 /nfs/dbraw/zinc/11/71/98/211117198.db2.gz YXIATWOPQUWOGA-MOPGFXCFSA-N 1 2 389.521 2.425 50 0 GEAALO CCC[N@@H+]1CCN(Cc2ccc3ccn(CC)c3c2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC000072418215 211116688 /nfs/dbraw/zinc/11/66/88/211116688.db2.gz SCRRCWKIYMXKQY-UXHICEINSA-N 1 2 375.538 2.354 50 0 GEAALO CCC[N@H+]1CCN(Cc2ccc3ccn(CC)c3c2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC000072418215 211116691 /nfs/dbraw/zinc/11/66/91/211116691.db2.gz SCRRCWKIYMXKQY-UXHICEINSA-N 1 2 375.538 2.354 50 0 GEAALO CCc1ccccc1C[N@@H+]1CCN(Cc2ccncc2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000072408215 211113953 /nfs/dbraw/zinc/11/39/53/211113953.db2.gz WWKIAJWNFJPRRS-RTWAWAEBSA-N 1 2 385.533 2.127 50 0 GEAALO CCc1ccccc1C[N@H+]1CCN(Cc2ccncc2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000072408215 211113957 /nfs/dbraw/zinc/11/39/57/211113957.db2.gz WWKIAJWNFJPRRS-RTWAWAEBSA-N 1 2 385.533 2.127 50 0 GEAALO O=C(C[C@H]1C(=O)NCC[N@H+]1Cc1cccc(Oc2ccccc2)c1)NC1CC1 ZINC000072163259 211080504 /nfs/dbraw/zinc/08/05/04/211080504.db2.gz GTXDJPBLBPSNIR-FQEVSTJZSA-N 1 2 379.460 2.448 50 0 GEAALO O=C(C[C@H]1C(=O)NCC[N@@H+]1Cc1cccc(Oc2ccccc2)c1)NC1CC1 ZINC000072163259 211080509 /nfs/dbraw/zinc/08/05/09/211080509.db2.gz GTXDJPBLBPSNIR-FQEVSTJZSA-N 1 2 379.460 2.448 50 0 GEAALO Cc1oc(-c2ccc3ccccc3c2)nc1C[N@@H+]1CCN2CCNC(=O)[C@@H]2C1 ZINC000071721253 211051982 /nfs/dbraw/zinc/05/19/82/211051982.db2.gz RJCNSRGOSQPLGH-FQEVSTJZSA-N 1 2 376.460 2.419 50 0 GEAALO Cc1oc(-c2ccc3ccccc3c2)nc1C[N@H+]1CCN2CCNC(=O)[C@@H]2C1 ZINC000071721253 211051985 /nfs/dbraw/zinc/05/19/85/211051985.db2.gz RJCNSRGOSQPLGH-FQEVSTJZSA-N 1 2 376.460 2.419 50 0 GEAALO Cc1cc(C)n(Cc2cc(C(=O)N3CC[N@@H+](C)C[C@@H]3c3ccccc3)[nH]n2)n1 ZINC000067946760 211031126 /nfs/dbraw/zinc/03/11/26/211031126.db2.gz WNPRIZDLGJKUAT-HXUWFJFHSA-N 1 2 378.480 2.400 50 0 GEAALO Cc1cc(C)n(Cc2cc(C(=O)N3CC[N@H+](C)C[C@@H]3c3ccccc3)[nH]n2)n1 ZINC000067946760 211031132 /nfs/dbraw/zinc/03/11/32/211031132.db2.gz WNPRIZDLGJKUAT-HXUWFJFHSA-N 1 2 378.480 2.400 50 0 GEAALO Cc1ncc(C(=O)NCc2ccc[nH+]c2N(C)CCc2ccccn2)c(C)n1 ZINC000067725321 211019548 /nfs/dbraw/zinc/01/95/48/211019548.db2.gz WOXZQAUFHUGKQG-UHFFFAOYSA-N 1 2 376.464 2.492 50 0 GEAALO CCc1ncc(C(=O)NCc2ccc[nH+]c2N(C)CCc2ccccn2)cn1 ZINC000067695889 211017828 /nfs/dbraw/zinc/01/78/28/211017828.db2.gz CBIHRODBCUWSJQ-UHFFFAOYSA-N 1 2 376.464 2.438 50 0 GEAALO CCc1ccc(C(=O)N2CCN(c3cc(-n4cccn4)nc(C)[nH+]3)CC2)cc1 ZINC000067630100 211012725 /nfs/dbraw/zinc/01/27/25/211012725.db2.gz YCXUHIHWMKVQOJ-UHFFFAOYSA-N 1 2 376.464 2.496 50 0 GEAALO Cc1c(C(=O)N2CCN(c3cccc[nH+]3)CC2)nnn1-c1cccc(F)c1C ZINC000067283421 211006098 /nfs/dbraw/zinc/00/60/98/211006098.db2.gz OKQPODPZEJLWEW-UHFFFAOYSA-N 1 2 380.427 2.381 50 0 GEAALO O=C(CN1CC[NH+](CC(=O)N2CCCCCC2)CC1)Nc1ccccc1Cl ZINC000020803811 210363619 /nfs/dbraw/zinc/36/36/19/210363619.db2.gz PJQJPYLRCGUJDM-UHFFFAOYSA-N 1 2 392.931 2.299 50 0 GEAALO O=C(c1cc(F)ccc1-n1cnnn1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000020726784 210357954 /nfs/dbraw/zinc/35/79/54/210357954.db2.gz ONJPKZAPPNRHFN-QPJJXVBHSA-N 1 2 392.438 2.273 50 0 GEAALO COc1ccc(CCNc2nc3[nH]nc(N)c3c3c2C[N@H+](C)CC3)cc1OC ZINC000020533565 210345714 /nfs/dbraw/zinc/34/57/14/210345714.db2.gz OYONHSJOFRBPIT-UHFFFAOYSA-N 1 2 382.468 2.200 50 0 GEAALO COc1ccc(CCNc2nc3[nH]nc(N)c3c3c2C[N@@H+](C)CC3)cc1OC ZINC000020533565 210345717 /nfs/dbraw/zinc/34/57/17/210345717.db2.gz OYONHSJOFRBPIT-UHFFFAOYSA-N 1 2 382.468 2.200 50 0 GEAALO COc1c(F)c(F)cc2c(=O)c(C(=O)N3CC[NH+](C)CC3)cn(C3CC3)c21 ZINC000020663657 210354916 /nfs/dbraw/zinc/35/49/16/210354916.db2.gz TVPAUAIEBNXJPY-UHFFFAOYSA-N 1 2 377.391 2.011 50 0 GEAALO CCOC(=O)C1C(C[NH+]2CCSCC2)=NC(=O)N[C@H]1c1ccc(C)cc1 ZINC000020529212 210343070 /nfs/dbraw/zinc/34/30/70/210343070.db2.gz CCNNQNKOFHLGOW-KRWDZBQOSA-N 1 2 375.494 2.215 50 0 GEAALO O[C@H](COc1ccccc1F)CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000020295348 210327644 /nfs/dbraw/zinc/32/76/44/210327644.db2.gz XFAGIHKEQXDIDC-KRWDZBQOSA-N 1 2 388.439 2.112 50 0 GEAALO COc1cccc(C[NH+]2CCN(CC(=O)Nc3ccc(OC)cc3OC)CC2)c1 ZINC000020274264 210326968 /nfs/dbraw/zinc/32/69/68/210326968.db2.gz QOHGNTRASKEJSN-UHFFFAOYSA-N 1 2 399.491 2.469 50 0 GEAALO COc1ccc(CC(=O)NC[C@H](c2ccc(OC)cc2)[NH+]2CCOCC2)cc1 ZINC000019902223 210307326 /nfs/dbraw/zinc/30/73/26/210307326.db2.gz LVKYXDBQWBLCIX-OAQYLSRUSA-N 1 2 384.476 2.436 50 0 GEAALO CCOC(=O)[C@H]([NH3+])CS[C@@H]1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O ZINC000019782486 210296770 /nfs/dbraw/zinc/29/67/70/210296770.db2.gz CVIWUXKMJRDRKW-VXGBXAGGSA-N 1 2 391.276 2.249 50 0 GEAALO CC(=O)N1CCC[C@H]1C(=O)NCc1ccc[nH+]c1N1CCc2ccccc2C1 ZINC000019781993 210295963 /nfs/dbraw/zinc/29/59/63/210295963.db2.gz DKMDEZASONXMHM-FQEVSTJZSA-N 1 2 378.476 2.271 50 0 GEAALO COc1cccc([C@H](C)N(C)C(=O)Cn2nnnc2C[NH+]2CCCCCC2)c1 ZINC000019741942 210292108 /nfs/dbraw/zinc/29/21/08/210292108.db2.gz PGSRXYWZBGHKFF-INIZCTEOSA-N 1 2 386.500 2.277 50 0 GEAALO COc1cc(OC)cc(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c1 ZINC000019608285 210274115 /nfs/dbraw/zinc/27/41/15/210274115.db2.gz GIBOJKKOCAEUEE-UHFFFAOYSA-N 1 2 384.432 2.391 50 0 GEAALO C/C=C/Cn1c(=O)c2c(nc3n2CC(C)=[NH+]N3Cc2ccccc2F)n(C)c1=O ZINC000008725103 221053138 /nfs/dbraw/zinc/05/31/38/221053138.db2.gz FKGHPHUXNAKVIO-SNAWJCMRSA-N 1 2 396.426 2.008 50 0 GEAALO CCCCc1nc(C)c(C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)s1 ZINC000040093872 132395372 /nfs/dbraw/zinc/39/53/72/132395372.db2.gz KATXIZSJMDMBHS-UHFFFAOYSA-N 1 2 399.524 2.433 50 0 GEAALO O=C(c1cn(-c2cc(N3CCSCC3)[nH+]cn2)cn1)N1CCc2ccccc21 ZINC000065240003 136161047 /nfs/dbraw/zinc/16/10/47/136161047.db2.gz KTJFBQCUEKHNRR-UHFFFAOYSA-N 1 2 392.488 2.418 50 0 GEAALO Cc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000067690892 136164844 /nfs/dbraw/zinc/16/48/44/136164844.db2.gz KCKLKLFFYRFQMO-UHFFFAOYSA-N 1 2 385.855 2.458 50 0 GEAALO COc1ccc(-c2cc(C(=O)N3CCN(c4cccc[nH+]4)CC3)n(C)n2)cc1 ZINC000072403522 136169370 /nfs/dbraw/zinc/16/93/70/136169370.db2.gz GCCSFUUGQFHXCS-UHFFFAOYSA-N 1 2 377.448 2.453 50 0 GEAALO O=C(NCCNc1cc(N2CCOCC2)nc[nH+]1)Nc1ccccc1Cl ZINC000082230583 136174451 /nfs/dbraw/zinc/17/44/51/136174451.db2.gz DKPAJRRITZZPAS-UHFFFAOYSA-N 1 2 376.848 2.200 50 0 GEAALO O=C(NCCNc1cc(N2CCOCC2)[nH+]cn1)Nc1ccccc1Cl ZINC000082230583 136174452 /nfs/dbraw/zinc/17/44/52/136174452.db2.gz DKPAJRRITZZPAS-UHFFFAOYSA-N 1 2 376.848 2.200 50 0 GEAALO CN(C)c1nccnc1N1CCC2(CCC(=O)N(CCCn3cc[nH+]c3)C2)CC1 ZINC000095364181 136178014 /nfs/dbraw/zinc/17/80/14/136178014.db2.gz UPXMPOSCKUZESE-UHFFFAOYSA-N 1 2 397.527 2.038 50 0 GEAALO Cc1nnc2n1CCC[C@@H]2NC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000095964257 136182899 /nfs/dbraw/zinc/18/28/99/136182899.db2.gz REIHAIJUSGKYHA-INIZCTEOSA-N 1 2 398.515 2.175 50 0 GEAALO Cc1noc(CCC[NH+]2CCN([C@H]3CCCN(c4ccccc4)C3=O)CC2)n1 ZINC000095999698 136183128 /nfs/dbraw/zinc/18/31/28/136183128.db2.gz NOKLLPQHWKGNPV-IBGZPJMESA-N 1 2 383.496 2.124 50 0 GEAALO Cc1noc(CCCN2CC[NH+]([C@H]3CCCN(c4ccccc4)C3=O)CC2)n1 ZINC000095999698 136183129 /nfs/dbraw/zinc/18/31/29/136183129.db2.gz NOKLLPQHWKGNPV-IBGZPJMESA-N 1 2 383.496 2.124 50 0 GEAALO CC(=O)Nc1ccc(N2C(=O)C[C@@H]([NH+]3CCN(c4ccccc4)CC3)C2=O)cc1 ZINC000100116139 136189015 /nfs/dbraw/zinc/18/90/15/136189015.db2.gz APPSQVWORMEOGI-HXUWFJFHSA-N 1 2 392.459 2.099 50 0 GEAALO CCOc1cccc(N2C(=O)C[C@H]([NH+]3CCN(c4ccccc4O)CC3)C2=O)c1 ZINC000100637687 136189195 /nfs/dbraw/zinc/18/91/95/136189195.db2.gz AEGKIMARINABHS-IBGZPJMESA-N 1 2 395.459 2.245 50 0 GEAALO O=S(=O)(Cc1ccc(F)cc1)NCC[NH+]1CCN(c2ccccc2F)CC1 ZINC000011900954 136199928 /nfs/dbraw/zinc/19/99/28/136199928.db2.gz HOVHUEOUFGYNTH-UHFFFAOYSA-N 1 2 395.475 2.206 50 0 GEAALO C[C@@H]1CN(c2ccc(CNC(=O)c3cc(OCC(F)F)ccn3)c[nH+]2)CCO1 ZINC000182495400 136201793 /nfs/dbraw/zinc/20/17/93/136201793.db2.gz RWFQXHACXKGMQI-CYBMUJFWSA-N 1 2 392.406 2.276 50 0 GEAALO CCCOc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3cscn3)C[C@H]2O)cc1 ZINC000426406045 528652387 /nfs/dbraw/zinc/65/23/87/528652387.db2.gz HPZZMUBNCAIZIH-QZTJIDSGSA-N 1 2 375.494 2.297 50 0 GEAALO CCCOc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3cscn3)C[C@H]2O)cc1 ZINC000426406045 528652394 /nfs/dbraw/zinc/65/23/94/528652394.db2.gz HPZZMUBNCAIZIH-QZTJIDSGSA-N 1 2 375.494 2.297 50 0 GEAALO CCc1ccccc1NC(=O)C[NH+]1CCN(c2ccc3nccnc3n2)CC1 ZINC000058192623 535949042 /nfs/dbraw/zinc/94/90/42/535949042.db2.gz GXANLNFHUHKLHY-UHFFFAOYSA-N 1 2 376.464 2.348 50 0 GEAALO COc1ccc(NC(=O)C[NH+]2CCN(c3ccccc3OC)CC2)cc1OC ZINC000058139249 536766830 /nfs/dbraw/zinc/76/68/30/536766830.db2.gz OUFQBTOGRCCABW-UHFFFAOYSA-N 1 2 385.464 2.473 50 0 GEAALO COc1ccccc1N1CC[NH+]([C@H]2CCCN(C(=O)c3ncccc3O)C2)CC1 ZINC000072163588 537070890 /nfs/dbraw/zinc/07/08/90/537070890.db2.gz LVLWFCRGTBSYHU-KRWDZBQOSA-N 1 2 396.491 2.223 50 0 GEAALO C[N@H+](Cc1ccc(S(=O)(=O)N2CCCC2)o1)Cc1ccc2c(c1)OCCO2 ZINC000047717211 570214554 /nfs/dbraw/zinc/21/45/54/570214554.db2.gz OHMMTQYPDOJJSL-UHFFFAOYSA-N 1 2 392.477 2.467 50 0 GEAALO C[N@@H+](Cc1ccc(S(=O)(=O)N2CCCC2)o1)Cc1ccc2c(c1)OCCO2 ZINC000047717211 570214558 /nfs/dbraw/zinc/21/45/58/570214558.db2.gz OHMMTQYPDOJJSL-UHFFFAOYSA-N 1 2 392.477 2.467 50 0 GEAALO COC(=O)c1ccc(NC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000048374535 570249666 /nfs/dbraw/zinc/24/96/66/570249666.db2.gz PXZDFUIYDZBOJQ-IBGZPJMESA-N 1 2 383.448 2.496 50 0 GEAALO COC(=O)c1ccc(NC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000048374535 570249670 /nfs/dbraw/zinc/24/96/70/570249670.db2.gz PXZDFUIYDZBOJQ-IBGZPJMESA-N 1 2 383.448 2.496 50 0 GEAALO Cc1ccccc1OCC(=O)Nc1ccccc1C(=O)NCC[NH+]1CCOCC1 ZINC000020707317 570255413 /nfs/dbraw/zinc/25/54/13/570255413.db2.gz QZVWJRUXDFSACI-UHFFFAOYSA-N 1 2 397.475 2.075 50 0 GEAALO Cc1oc(-c2ccc3ccccc3c2)nc1C[N@@H+]1CCN2CCNC(=O)[C@H]2C1 ZINC000106958129 570261053 /nfs/dbraw/zinc/26/10/53/570261053.db2.gz RJCNSRGOSQPLGH-HXUWFJFHSA-N 1 2 376.460 2.419 50 0 GEAALO Cc1oc(-c2ccc3ccccc3c2)nc1C[N@H+]1CCN2CCNC(=O)[C@H]2C1 ZINC000106958129 570261058 /nfs/dbraw/zinc/26/10/58/570261058.db2.gz RJCNSRGOSQPLGH-HXUWFJFHSA-N 1 2 376.460 2.419 50 0 GEAALO Cc1nc2ncccn2c1C(=O)N(CCCn1cc[nH+]c1)Cc1cccnc1 ZINC000215195707 570286078 /nfs/dbraw/zinc/28/60/78/570286078.db2.gz HFCUUFXMXKKNKU-UHFFFAOYSA-N 1 2 375.436 2.362 50 0 GEAALO Cc1ccccc1-n1cc(C2=CC[N@H+](Cc3cc(=O)n4nc[nH]c4n3)CC2)cn1 ZINC000102439662 570288923 /nfs/dbraw/zinc/28/89/23/570288923.db2.gz PIZDBNXFUHXCRE-UHFFFAOYSA-N 1 2 387.447 2.201 50 0 GEAALO Cc1ccccc1-n1cc(C2=CC[N@@H+](Cc3cc(=O)n4nc[nH]c4n3)CC2)cn1 ZINC000102439662 570288924 /nfs/dbraw/zinc/28/89/24/570288924.db2.gz PIZDBNXFUHXCRE-UHFFFAOYSA-N 1 2 387.447 2.201 50 0 GEAALO CCCCC(=O)N1CC[C@H]2CN(C(=O)CC3=CSC4=[NH+]CCCN34)C[C@H]21 ZINC000102795485 570292510 /nfs/dbraw/zinc/29/25/10/570292510.db2.gz KWUJZMFZHAGRMH-GOEBONIOSA-N 1 2 376.526 2.276 50 0 GEAALO CCOC(=O)C1CCN(C(=O)[C@@H](C)[NH+]2CCN(c3ccccc3F)CC2)CC1 ZINC000034668460 570293072 /nfs/dbraw/zinc/29/30/72/570293072.db2.gz OVMBHTNVDDRANQ-MRXNPFEDSA-N 1 2 391.487 2.138 50 0 GEAALO O=C(Cn1cc[nH+]c1)Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000010809780 570301152 /nfs/dbraw/zinc/30/11/52/570301152.db2.gz YDBGGRIWCAYIPG-UHFFFAOYSA-N 1 2 382.873 2.350 50 0 GEAALO COc1ccc(C(=O)NCC(=O)NCc2ccc(N3CCCCC3)[nH+]c2)cc1 ZINC000053508421 570324523 /nfs/dbraw/zinc/32/45/23/570324523.db2.gz XVGOKNCFKFRFKP-UHFFFAOYSA-N 1 2 382.464 2.127 50 0 GEAALO O=C(NCCCn1cc[nH+]c1)c1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000003224720 570332676 /nfs/dbraw/zinc/33/26/76/570332676.db2.gz JYVJPJWBIHAQPK-UHFFFAOYSA-N 1 2 390.509 2.268 50 0 GEAALO Cc1cccc(NC(=O)CN2CC[NH+](CC(=O)N3CCCC[C@@H]3C)CC2)c1C ZINC000022932381 570337165 /nfs/dbraw/zinc/33/71/65/570337165.db2.gz NESJMKMBMDLVFP-SFHVURJKSA-N 1 2 386.540 2.261 50 0 GEAALO O=C([C@H](c1ccccc1)N1CC[NH+](Cc2ccsc2)CC1)N1CCOCC1 ZINC000023248789 570352356 /nfs/dbraw/zinc/35/23/56/570352356.db2.gz VYLXQWWYVGSJNU-FQEVSTJZSA-N 1 2 385.533 2.466 50 0 GEAALO O=C([C@H](c1ccccc1)[NH+]1CCN(Cc2ccsc2)CC1)N1CCOCC1 ZINC000023248789 570352359 /nfs/dbraw/zinc/35/23/59/570352359.db2.gz VYLXQWWYVGSJNU-FQEVSTJZSA-N 1 2 385.533 2.466 50 0 GEAALO O[C@@H]1CC[N@H+](Cc2cn(C3CCN(c4ccc5ccccc5n4)CC3)nn2)C1 ZINC000023367698 570357157 /nfs/dbraw/zinc/35/71/57/570357157.db2.gz SQSBDBYMBTXMLM-LJQANCHMSA-N 1 2 378.480 2.234 50 0 GEAALO O[C@@H]1CC[N@@H+](Cc2cn(C3CCN(c4ccc5ccccc5n4)CC3)nn2)C1 ZINC000023367698 570357160 /nfs/dbraw/zinc/35/71/60/570357160.db2.gz SQSBDBYMBTXMLM-LJQANCHMSA-N 1 2 378.480 2.234 50 0 GEAALO COC(=O)C[C@H](c1cccc(O)c1)c1c(O)cc(C)n(CCc2c[nH+]c[nH]2)c1=O ZINC000604405945 570358137 /nfs/dbraw/zinc/35/81/37/570358137.db2.gz UPFZTHUJNDPRRE-QGZVFWFLSA-N 1 2 397.431 2.229 50 0 GEAALO COC(=O)C[C@H](c1cccc(O)c1)c1c(O)cc(C)n(CCc2c[nH]c[nH+]2)c1=O ZINC000604405945 570358140 /nfs/dbraw/zinc/35/81/40/570358140.db2.gz UPFZTHUJNDPRRE-QGZVFWFLSA-N 1 2 397.431 2.229 50 0 GEAALO CCn1ccnc1CN1CC[N@H+](Cc2ccc(OC)cc2F)[C@@H](CCO)C1 ZINC000023375442 570358825 /nfs/dbraw/zinc/35/88/25/570358825.db2.gz QSAFDORSSFGAAI-KRWDZBQOSA-N 1 2 376.476 2.120 50 0 GEAALO CCn1ccnc1CN1CC[N@@H+](Cc2ccc(OC)cc2F)[C@@H](CCO)C1 ZINC000023375442 570358827 /nfs/dbraw/zinc/35/88/27/570358827.db2.gz QSAFDORSSFGAAI-KRWDZBQOSA-N 1 2 376.476 2.120 50 0 GEAALO O=c1ccc(S(=O)(=O)N2CCCC2)cn1C[N@@H+]1CCC[C@H]1c1cccs1 ZINC000008114105 570360446 /nfs/dbraw/zinc/36/04/46/570360446.db2.gz QINXDNQAGMWBJU-INIZCTEOSA-N 1 2 393.534 2.489 50 0 GEAALO O=c1ccc(S(=O)(=O)N2CCCC2)cn1C[N@H+]1CCC[C@H]1c1cccs1 ZINC000008114105 570360448 /nfs/dbraw/zinc/36/04/48/570360448.db2.gz QINXDNQAGMWBJU-INIZCTEOSA-N 1 2 393.534 2.489 50 0 GEAALO Cc1cccc(Cn2c(C[N@H+]3CCC[C@@H](C)C3)nc3c2c(=O)n(C)c(=O)n3C)c1 ZINC000004930123 570372068 /nfs/dbraw/zinc/37/20/68/570372068.db2.gz GYTDNJGHOJYVFK-MRXNPFEDSA-N 1 2 395.507 2.022 50 0 GEAALO Cc1cccc(Cn2c(C[N@@H+]3CCC[C@@H](C)C3)nc3c2c(=O)n(C)c(=O)n3C)c1 ZINC000004930123 570372071 /nfs/dbraw/zinc/37/20/71/570372071.db2.gz GYTDNJGHOJYVFK-MRXNPFEDSA-N 1 2 395.507 2.022 50 0 GEAALO O=C(c1cccs1)N1CCC[C@@H]1C(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000023995062 570376678 /nfs/dbraw/zinc/37/66/78/570376678.db2.gz VSVGQQXIYVZPKZ-QGZVFWFLSA-N 1 2 384.505 2.092 50 0 GEAALO O=C(NCc1ccccc1)[C@H]1CSCN1C(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000024668388 570389545 /nfs/dbraw/zinc/38/95/45/570389545.db2.gz NOMNMQDLSVOJKV-QGZVFWFLSA-N 1 2 393.472 2.099 50 0 GEAALO CCOC(=O)N1CCC([N@@H+]2CCn3nc([C@H](O)c4ccccc4)cc3C2)CC1 ZINC000221289546 570392793 /nfs/dbraw/zinc/39/27/93/570392793.db2.gz FJBRQPPUELDMJV-HXUWFJFHSA-N 1 2 384.480 2.401 50 0 GEAALO CCOC(=O)N1CCC([N@H+]2CCn3nc([C@H](O)c4ccccc4)cc3C2)CC1 ZINC000221289546 570392794 /nfs/dbraw/zinc/39/27/94/570392794.db2.gz FJBRQPPUELDMJV-HXUWFJFHSA-N 1 2 384.480 2.401 50 0 GEAALO Cc1nn(Cc2ccccc2)c(C)c1C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000032987878 570399731 /nfs/dbraw/zinc/39/97/31/570399731.db2.gz AHSSNYXFIYTWRX-HXUWFJFHSA-N 1 2 382.508 2.485 50 0 GEAALO CC[NH+]1CCN(C(=O)[C@@H](C)Sc2n[nH]c(-c3ccc(OC)cc3)n2)CC1 ZINC000035570329 570401430 /nfs/dbraw/zinc/40/14/30/570401430.db2.gz UOQMRCAIYOLMLR-CYBMUJFWSA-N 1 2 375.498 2.125 50 0 GEAALO CC[NH+]1CCN(C(=O)[C@@H](C)Sc2nc(-c3ccc(OC)cc3)n[nH]2)CC1 ZINC000035570329 570401436 /nfs/dbraw/zinc/40/14/36/570401436.db2.gz UOQMRCAIYOLMLR-CYBMUJFWSA-N 1 2 375.498 2.125 50 0 GEAALO C[NH+]1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)CC1 ZINC000025330002 570411408 /nfs/dbraw/zinc/41/14/08/570411408.db2.gz LHSBSCXPOHWEOB-UHFFFAOYSA-N 1 2 399.944 2.292 50 0 GEAALO CN(C)C(=O)[C@@H](c1ccccc1)[NH+]1CCN(Cc2ccc3c(c2)OCCO3)CC1 ZINC000026845377 570429386 /nfs/dbraw/zinc/42/93/86/570429386.db2.gz VXOUZWSVNSKYHJ-JOCHJYFZSA-N 1 2 395.503 2.405 50 0 GEAALO CN(C)C(=O)[C@@H](c1ccccc1)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000026845377 570429390 /nfs/dbraw/zinc/42/93/90/570429390.db2.gz VXOUZWSVNSKYHJ-JOCHJYFZSA-N 1 2 395.503 2.405 50 0 GEAALO CC(C)C(=O)Nc1ccc(S(=O)(=O)NC[C@@H](c2cccn2C)[NH+](C)C)cc1 ZINC000011897964 570444215 /nfs/dbraw/zinc/44/42/15/570444215.db2.gz ZDWGPICMNGSVPF-SFHVURJKSA-N 1 2 392.525 2.201 50 0 GEAALO CS(=O)(=O)NC1CC[NH+]([C@@H](C(=O)Nc2ccccc2)c2ccccc2)CC1 ZINC000054146592 570450403 /nfs/dbraw/zinc/45/04/03/570450403.db2.gz VMIHFUKJFVNPEJ-LJQANCHMSA-N 1 2 387.505 2.380 50 0 GEAALO CC(C)(CNC(=O)Cn1c2ccccc2nc1C(F)(F)F)[NH+]1CCOCC1 ZINC000028192551 570451802 /nfs/dbraw/zinc/45/18/02/570451802.db2.gz DVLMYHRFZMTFMX-UHFFFAOYSA-N 1 2 384.402 2.282 50 0 GEAALO COc1ccc([C@H]2CCCCC[N@@H+]2CC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000029155784 570469275 /nfs/dbraw/zinc/46/92/75/570469275.db2.gz PKWZZPGFVPLFEX-IEBWSBKVSA-N 1 2 394.537 2.258 50 0 GEAALO COc1ccc([C@H]2CCCCC[N@H+]2CC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000029155784 570469278 /nfs/dbraw/zinc/46/92/78/570469278.db2.gz PKWZZPGFVPLFEX-IEBWSBKVSA-N 1 2 394.537 2.258 50 0 GEAALO Cc1ccc(-c2nn(C[C@H](O)C[NH+]3CCOCC3)c(=O)c3ccccc32)cc1 ZINC000029340341 570472153 /nfs/dbraw/zinc/47/21/53/570472153.db2.gz BUKKCEUEGNORAY-GOSISDBHSA-N 1 2 379.460 2.065 50 0 GEAALO O=C(Nc1cccc(Oc2cc[nH+]cc2)c1)C(=O)N[C@H]1CCc2c[nH]nc2C1 ZINC000252535892 570478105 /nfs/dbraw/zinc/47/81/05/570478105.db2.gz HCEITFYOXIYZSF-HNNXBMFYSA-N 1 2 377.404 2.209 50 0 GEAALO COc1c2c(cc3c1[C@@H](CC(=O)C[C@H](O)c1ccccn1)[N@H+](C)CC3)OCO2 ZINC000036023037 570512782 /nfs/dbraw/zinc/51/27/82/570512782.db2.gz HACHLYKWDDBZRS-SJORKVTESA-N 1 2 384.432 2.431 50 0 GEAALO COc1c2c(cc3c1[C@@H](CC(=O)C[C@H](O)c1ccccn1)[N@@H+](C)CC3)OCO2 ZINC000036023037 570512788 /nfs/dbraw/zinc/51/27/88/570512788.db2.gz HACHLYKWDDBZRS-SJORKVTESA-N 1 2 384.432 2.431 50 0 GEAALO O=S(=O)(c1ccc(F)c(F)c1)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000008745252 570539855 /nfs/dbraw/zinc/53/98/55/570539855.db2.gz HDWLLVWUXZCORX-UHFFFAOYSA-N 1 2 392.431 2.119 50 0 GEAALO Cc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CC[NH+](C)CC3)c2)cc1F ZINC000034657476 570542944 /nfs/dbraw/zinc/54/29/44/570542944.db2.gz XFJULGPNDWKQMR-UHFFFAOYSA-N 1 2 391.468 2.323 50 0 GEAALO Cc1c(NC(=O)C[N@@H+]2CCc3ccccc3C2)c(=O)n(-c2ccccc2)n1C ZINC000035325529 570552242 /nfs/dbraw/zinc/55/22/42/570552242.db2.gz DQFITXSCRRHCTL-UHFFFAOYSA-N 1 2 376.460 2.481 50 0 GEAALO Cc1c(NC(=O)C[N@H+]2CCc3ccccc3C2)c(=O)n(-c2ccccc2)n1C ZINC000035325529 570552246 /nfs/dbraw/zinc/55/22/46/570552246.db2.gz DQFITXSCRRHCTL-UHFFFAOYSA-N 1 2 376.460 2.481 50 0 GEAALO Cc1nnc(NC(=O)[C@@H]2CCC[N@H+](Cc3nc(-c4cccnc4)no3)C2)s1 ZINC000062022906 570557245 /nfs/dbraw/zinc/55/72/45/570557245.db2.gz CGKUQWZOXGXVCZ-CYBMUJFWSA-N 1 2 385.453 2.142 50 0 GEAALO Cc1nnc(NC(=O)[C@@H]2CCC[N@@H+](Cc3nc(-c4cccnc4)no3)C2)s1 ZINC000062022906 570557250 /nfs/dbraw/zinc/55/72/50/570557250.db2.gz CGKUQWZOXGXVCZ-CYBMUJFWSA-N 1 2 385.453 2.142 50 0 GEAALO Cn1ccnc1[C@@H](O)C1CC[NH+](Cc2nc(-c3ccc4c(c3)OCO4)no2)CC1 ZINC000011819378 570585625 /nfs/dbraw/zinc/58/56/25/570585625.db2.gz PNPWXNBRWMSYJC-SFHVURJKSA-N 1 2 397.435 2.144 50 0 GEAALO CNC(=O)c1ccc(C[N@@H+](Cc2ccco2)C[C@H]2CCS(=O)(=O)C2)cc1 ZINC000225718553 570608348 /nfs/dbraw/zinc/60/83/48/570608348.db2.gz YKRWNJUMCDBFGI-MRXNPFEDSA-N 1 2 376.478 2.076 50 0 GEAALO CNC(=O)c1ccc(C[N@H+](Cc2ccco2)C[C@H]2CCS(=O)(=O)C2)cc1 ZINC000225718553 570608353 /nfs/dbraw/zinc/60/83/53/570608353.db2.gz YKRWNJUMCDBFGI-MRXNPFEDSA-N 1 2 376.478 2.076 50 0 GEAALO O=C(NCCCn1cc[nH+]c1)c1cccc(OC2CCN(C(=O)C3CC3)CC2)c1 ZINC000012433272 570660664 /nfs/dbraw/zinc/66/06/64/570660664.db2.gz VDLHHTQLDIGJLN-UHFFFAOYSA-N 1 2 396.491 2.483 50 0 GEAALO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2c3ccccc3[nH]c2C(=O)OC)C1 ZINC000004337689 570674701 /nfs/dbraw/zinc/67/47/01/570674701.db2.gz DTTSIHFUHOXXQN-ZDUSSCGKSA-N 1 2 387.436 2.168 50 0 GEAALO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2c3ccccc3[nH]c2C(=O)OC)C1 ZINC000004337689 570674703 /nfs/dbraw/zinc/67/47/03/570674703.db2.gz DTTSIHFUHOXXQN-ZDUSSCGKSA-N 1 2 387.436 2.168 50 0 GEAALO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2c3ccccc3[nH]c2C(=O)OC)C1 ZINC000004337686 570674720 /nfs/dbraw/zinc/67/47/20/570674720.db2.gz DTTSIHFUHOXXQN-CYBMUJFWSA-N 1 2 387.436 2.168 50 0 GEAALO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2c3ccccc3[nH]c2C(=O)OC)C1 ZINC000004337686 570674723 /nfs/dbraw/zinc/67/47/23/570674723.db2.gz DTTSIHFUHOXXQN-CYBMUJFWSA-N 1 2 387.436 2.168 50 0 GEAALO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc2c(c1)OCCO2)c1ccc(F)cc1F ZINC000238899385 570679800 /nfs/dbraw/zinc/67/98/00/570679800.db2.gz GCWSFNOFVQYIHX-MRXNPFEDSA-N 1 2 398.431 2.317 50 0 GEAALO CC[C@@H]1C[C@@H](C(=O)N2CC[NH+]([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)CCO1 ZINC000239653771 570683964 /nfs/dbraw/zinc/68/39/64/570683964.db2.gz BLHIDBVJJPYBQS-RCCFBDPRSA-N 1 2 395.544 2.345 50 0 GEAALO CC(C)[N@H+](C)Cc1nnnn1CC(=O)N1CC[C@H](c2ccccc2Cl)C1 ZINC000012585574 570684964 /nfs/dbraw/zinc/68/49/64/570684964.db2.gz BAUFENKCJDYIIY-AWEZNQCLSA-N 1 2 376.892 2.183 50 0 GEAALO CC(C)[N@@H+](C)Cc1nnnn1CC(=O)N1CC[C@H](c2ccccc2Cl)C1 ZINC000012585574 570684965 /nfs/dbraw/zinc/68/49/65/570684965.db2.gz BAUFENKCJDYIIY-AWEZNQCLSA-N 1 2 376.892 2.183 50 0 GEAALO CN(C)C(=O)c1cccc(NC(=O)C[N@H+](CCO)Cc2cccc(Cl)c2)c1 ZINC000241301074 570686570 /nfs/dbraw/zinc/68/65/70/570686570.db2.gz LQERFGYBLUSKAS-UHFFFAOYSA-N 1 2 389.883 2.475 50 0 GEAALO CN(C)C(=O)c1cccc(NC(=O)C[N@@H+](CCO)Cc2cccc(Cl)c2)c1 ZINC000241301074 570686573 /nfs/dbraw/zinc/68/65/73/570686573.db2.gz LQERFGYBLUSKAS-UHFFFAOYSA-N 1 2 389.883 2.475 50 0 GEAALO C[N@H+](CC(=O)N[C@@H](c1ccc2c(c1)CCO2)[C@H]1C[C@@H](O)C1)Cc1ccncc1 ZINC000243901205 570692216 /nfs/dbraw/zinc/69/22/16/570692216.db2.gz AZQJRLAWZJNKPR-JQVVWYNYSA-N 1 2 381.476 2.077 50 0 GEAALO C[N@@H+](CC(=O)N[C@@H](c1ccc2c(c1)CCO2)[C@H]1C[C@@H](O)C1)Cc1ccncc1 ZINC000243901205 570692219 /nfs/dbraw/zinc/69/22/19/570692219.db2.gz AZQJRLAWZJNKPR-JQVVWYNYSA-N 1 2 381.476 2.077 50 0 GEAALO Cc1cccc([C@H]2CC(=O)c3c(C)nc(N4CC[NH+](CCO)CC4)nc3C2)c1 ZINC000012653533 570695490 /nfs/dbraw/zinc/69/54/90/570695490.db2.gz DCAATVPWQXFWQE-GOSISDBHSA-N 1 2 380.492 2.120 50 0 GEAALO COc1ccccc1C1CCN(C(=O)C[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000244852526 570697237 /nfs/dbraw/zinc/69/72/37/570697237.db2.gz UTZQQMZVKBFVCV-UHFFFAOYSA-N 1 2 395.507 2.013 50 0 GEAALO Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C(C)C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000058195850 570718306 /nfs/dbraw/zinc/71/83/06/570718306.db2.gz ANVWQEZFTKMBQK-HLIPFELVSA-N 1 2 375.513 2.492 50 0 GEAALO CCC(=O)N[C@H](CCSC)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000058223956 570721821 /nfs/dbraw/zinc/72/18/21/570721821.db2.gz HAHKAXPWZGRKQJ-OAHLLOKOSA-N 1 2 378.473 2.276 50 0 GEAALO O=C(N[C@H]1C[C@@H](c2cc(=O)[nH]c(N3CCCC3)n2)C1)c1ccc2[nH+]ccn2c1 ZINC000253535854 570733698 /nfs/dbraw/zinc/73/36/98/570733698.db2.gz UANOKGBZJQSHHM-GASCZTMLSA-N 1 2 378.436 2.106 50 0 GEAALO C[NH+]1CCN(C(=O)c2cn(-c3ccc(-c4nc(C(C)(C)C)no4)cn3)cn2)CC1 ZINC000065251152 570750016 /nfs/dbraw/zinc/75/00/16/570750016.db2.gz NEEYNWMNEYGRBX-UHFFFAOYSA-N 1 2 395.467 2.002 50 0 GEAALO Cc1c(S(=O)(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)cnn1C(F)F ZINC000036614694 570750328 /nfs/dbraw/zinc/75/03/28/570750328.db2.gz MHLYBNQQOBJAQE-UHFFFAOYSA-N 1 2 384.452 2.402 50 0 GEAALO Cc1cccn2cc(-c3ccccc3NC(=O)CCn3ccc(=O)[nH]c3=O)[nH+]c12 ZINC000206901397 570755170 /nfs/dbraw/zinc/75/51/70/570755170.db2.gz GEXCBNVZHJTTQL-UHFFFAOYSA-N 1 2 389.415 2.189 50 0 GEAALO COCC[NH+]=C1Nc2ccccc2N[C@]12CCCN(C(=O)c1ccncc1)C2 ZINC000065259875 570761779 /nfs/dbraw/zinc/76/17/79/570761779.db2.gz VUANKCWHXKXDTA-NRFANRHFSA-N 1 2 379.464 2.448 50 0 GEAALO COc1cc(NC(=O)C[N@@H+]2CCCN(c3ncccn3)CC2)ccc1Cl ZINC000065387087 570764010 /nfs/dbraw/zinc/76/40/10/570764010.db2.gz FQNFLOBMYIHBKY-UHFFFAOYSA-N 1 2 375.860 2.289 50 0 GEAALO COc1cc(NC(=O)C[N@H+]2CCCN(c3ncccn3)CC2)ccc1Cl ZINC000065387087 570764011 /nfs/dbraw/zinc/76/40/11/570764011.db2.gz FQNFLOBMYIHBKY-UHFFFAOYSA-N 1 2 375.860 2.289 50 0 GEAALO COCCN=C1Nc2ccccc2C[NH2+][C@]12CCN(C(=O)c1ccsc1)C2 ZINC000065265784 570768864 /nfs/dbraw/zinc/76/88/64/570768864.db2.gz IHCPCIJFQOJJAB-FQEVSTJZSA-N 1 2 384.505 2.402 50 0 GEAALO COCc1nnc(NC(=O)C[N@H+](C)[C@@H](C)c2ccc3c(c2)OCCO3)s1 ZINC000065531463 570772390 /nfs/dbraw/zinc/77/23/90/570772390.db2.gz MKEWBIJCXVPZHE-NSHDSACASA-N 1 2 378.454 2.087 50 0 GEAALO COCc1nnc(NC(=O)C[N@@H+](C)[C@@H](C)c2ccc3c(c2)OCCO3)s1 ZINC000065531463 570772395 /nfs/dbraw/zinc/77/23/95/570772395.db2.gz MKEWBIJCXVPZHE-NSHDSACASA-N 1 2 378.454 2.087 50 0 GEAALO Cc1cc(C)n(-c2cc(NCCNC(=O)Nc3ccc4c(c3)OCO4)[nH+]cn2)n1 ZINC000036705496 570793014 /nfs/dbraw/zinc/79/30/14/570793014.db2.gz KNZQEEKNSURAAK-UHFFFAOYSA-N 1 2 395.423 2.241 50 0 GEAALO Cn1ncc2c1nc[nH+]c2SC[C@@H]1CSc2nnc(-c3ccncc3)n21 ZINC000032777284 570799569 /nfs/dbraw/zinc/79/95/69/570799569.db2.gz NHXAFLOYALTYMQ-LLVKDONJSA-N 1 2 382.478 2.456 50 0 GEAALO C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000032794827 570814847 /nfs/dbraw/zinc/81/48/47/570814847.db2.gz JJNVICSQNFQQAM-MRXNPFEDSA-N 1 2 386.500 2.081 50 0 GEAALO CC(=O)CC(C)(C)NC(=O)CC[NH+]1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000032797357 570819554 /nfs/dbraw/zinc/81/95/54/570819554.db2.gz YMDRBSAFBVYASZ-UHFFFAOYSA-N 1 2 389.544 2.294 50 0 GEAALO O=C(CCn1cnc2cc(Cl)ccc2c1=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000032801684 570820333 /nfs/dbraw/zinc/82/03/33/570820333.db2.gz SADNKQBOSGYKON-UHFFFAOYSA-N 1 2 397.866 2.184 50 0 GEAALO O=C(NC[C@@H]1COc2ccccc2O1)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000032802204 570820686 /nfs/dbraw/zinc/82/06/86/570820686.db2.gz KSWDVYLSTCYIBO-MOPGFXCFSA-N 1 2 397.475 2.199 50 0 GEAALO Cn1cc[nH+]c1[C@H](NC(=O)c1cccc(S(C)(=O)=O)c1)c1cccc(F)c1 ZINC000012506907 570822767 /nfs/dbraw/zinc/82/27/67/570822767.db2.gz YHRFADVEQPORJX-QGZVFWFLSA-N 1 2 387.436 2.482 50 0 GEAALO Cc1ccc(C(=O)N2CC[NH+](CCNc3cc(=O)oc4ccccc34)CC2)cn1 ZINC000101664285 570829088 /nfs/dbraw/zinc/82/90/88/570829088.db2.gz NLALODUXKLSNSJ-UHFFFAOYSA-N 1 2 392.459 2.366 50 0 GEAALO CCc1[nH+]c2ccccc2n1CC(=O)O[C@H](C)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000012541218 570841269 /nfs/dbraw/zinc/84/12/69/570841269.db2.gz IMVMLWYSXWPZNS-CYBMUJFWSA-N 1 2 394.431 2.268 50 0 GEAALO CC(C)[N@@H+]1CCO[C@@H](COC(=O)CCC(=O)c2ccc3c(c2)OCCO3)C1 ZINC000170600098 570858744 /nfs/dbraw/zinc/85/87/44/570858744.db2.gz UYQZXHKFXKIITJ-MRXNPFEDSA-N 1 2 377.437 2.073 50 0 GEAALO CC(C)[N@H+]1CCO[C@@H](COC(=O)CCC(=O)c2ccc3c(c2)OCCO3)C1 ZINC000170600098 570858749 /nfs/dbraw/zinc/85/87/49/570858749.db2.gz UYQZXHKFXKIITJ-MRXNPFEDSA-N 1 2 377.437 2.073 50 0 GEAALO NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NS(=O)(=O)c2cccc(F)c2F)c1 ZINC000170609141 570865652 /nfs/dbraw/zinc/86/56/52/570865652.db2.gz CQVCSVIWCOWBNN-HNNXBMFYSA-N 1 2 395.431 2.215 50 0 GEAALO NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NS(=O)(=O)c2cccc(F)c2F)c1 ZINC000170609141 570865654 /nfs/dbraw/zinc/86/56/54/570865654.db2.gz CQVCSVIWCOWBNN-HNNXBMFYSA-N 1 2 395.431 2.215 50 0 GEAALO Cc1[nH+]c[nH]c1CSCCNC(=O)N(C)C[C@@H]1COc2ccccc2O1 ZINC000534666168 570919467 /nfs/dbraw/zinc/91/94/67/570919467.db2.gz WXRJGPNPYHRXKW-CQSZACIVSA-N 1 2 376.482 2.433 50 0 GEAALO Cc1nc2n(n1)C(=O)C([C@H](c1ccc(C)cc1)[NH+]1CCC(C(N)=O)CC1)S2 ZINC000023156863 570920857 /nfs/dbraw/zinc/92/08/57/570920857.db2.gz PLERUGIEIJPJED-HNNXBMFYSA-N 1 2 385.493 2.400 50 0 GEAALO Cc1[nH]c2ccccc2c1C(=O)C[NH+]1CCC(NC(=O)c2cnn(C)c2)CC1 ZINC000052903676 570956756 /nfs/dbraw/zinc/95/67/56/570956756.db2.gz RATTUGFKHSPBBS-UHFFFAOYSA-N 1 2 379.464 2.287 50 0 GEAALO COc1c2c(cc3c1[C@@H](c1nnnn1Cc1ccccc1)[N@H+](C)CC3)OCO2 ZINC000002137749 570962594 /nfs/dbraw/zinc/96/25/94/570962594.db2.gz ZNQWAXLKHQOOCC-KRWDZBQOSA-N 1 2 379.420 2.036 50 0 GEAALO COc1c2c(cc3c1[C@@H](c1nnnn1Cc1ccccc1)[N@@H+](C)CC3)OCO2 ZINC000002137749 570962597 /nfs/dbraw/zinc/96/25/97/570962597.db2.gz ZNQWAXLKHQOOCC-KRWDZBQOSA-N 1 2 379.420 2.036 50 0 GEAALO COc1ccc(S(=O)(=O)N2CC[N@H+](C)[C@H](c3ccccc3)C2)cc1OC ZINC000106494028 570964037 /nfs/dbraw/zinc/96/40/37/570964037.db2.gz VNLJCZUNROVTQH-KRWDZBQOSA-N 1 2 376.478 2.381 50 0 GEAALO COc1ccc(S(=O)(=O)N2CC[N@@H+](C)[C@H](c3ccccc3)C2)cc1OC ZINC000106494028 570964042 /nfs/dbraw/zinc/96/40/42/570964042.db2.gz VNLJCZUNROVTQH-KRWDZBQOSA-N 1 2 376.478 2.381 50 0 GEAALO COc1ccc(NC(=O)COc2coc(C[NH+]3CCSCC3)cc2=O)cc1 ZINC000044900953 570981487 /nfs/dbraw/zinc/98/14/87/570981487.db2.gz NTFDUNXKPUXJHM-UHFFFAOYSA-N 1 2 390.461 2.215 50 0 GEAALO CCOC(=O)[C@H]1CCC[N@@H+]([C@@H]2CC(=O)N(c3cc(Cl)ccc3OC)C2=O)C1 ZINC000054670835 570993801 /nfs/dbraw/zinc/99/38/01/570993801.db2.gz PLRLPNOILAMWJC-SWLSCSKDSA-N 1 2 394.855 2.256 50 0 GEAALO CCOC(=O)[C@H]1CCC[N@H+]([C@@H]2CC(=O)N(c3cc(Cl)ccc3OC)C2=O)C1 ZINC000054670835 570993806 /nfs/dbraw/zinc/99/38/06/570993806.db2.gz PLRLPNOILAMWJC-SWLSCSKDSA-N 1 2 394.855 2.256 50 0 GEAALO Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+]1CC[C@H](C(F)(F)F)C1(C)C ZINC000252550336 570995478 /nfs/dbraw/zinc/99/54/78/570995478.db2.gz SJPFFSHPNWKTCA-ZDUSSCGKSA-N 1 2 393.431 2.244 50 0 GEAALO Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+]1CC[C@H](C(F)(F)F)C1(C)C ZINC000252550336 570995479 /nfs/dbraw/zinc/99/54/79/570995479.db2.gz SJPFFSHPNWKTCA-ZDUSSCGKSA-N 1 2 393.431 2.244 50 0 GEAALO CCO[C@H](C)c1noc(CN2CCC[N@@H+]([C@@H](C)c3nc(CC)no3)CC2)n1 ZINC000072759793 571049441 /nfs/dbraw/zinc/04/94/41/571049441.db2.gz IXFDWYCMTFTOTC-UONOGXRCSA-N 1 2 378.477 2.381 50 0 GEAALO CCO[C@H](C)c1noc(CN2CCC[N@H+]([C@@H](C)c3nc(CC)no3)CC2)n1 ZINC000072759793 571049448 /nfs/dbraw/zinc/04/94/48/571049448.db2.gz IXFDWYCMTFTOTC-UONOGXRCSA-N 1 2 378.477 2.381 50 0 GEAALO Cc1ccc2[nH+]c(CSc3nnc(C[C@@H]4CCS(=O)(=O)C4)o3)cn2c1 ZINC000039996306 642519773 /nfs/dbraw/zinc/51/97/73/642519773.db2.gz GXUQMFUPCUIVEJ-LBPRGKRZSA-N 1 2 378.479 2.295 50 0 GEAALO Cn1c(Cn2cc[nH+]c2)nnc1[C@@H]1CCCN(C(=O)CCc2ccccc2)C1 ZINC000095373226 230982241 /nfs/dbraw/zinc/98/22/41/230982241.db2.gz IAVKQANHOQETNW-GOSISDBHSA-N 1 2 378.480 2.399 50 0 GEAALO CC1=C(C(N)=O)[C@H](c2ccc(Cl)c(Cl)c2)N2NC(CCCO)=[NH+]C2=N1 ZINC000004294229 531512548 /nfs/dbraw/zinc/51/25/48/531512548.db2.gz RDYPTRUHVQLODP-AWEZNQCLSA-N 1 2 382.251 2.155 50 0 GEAALO COCCNC(=O)CSc1[nH+]cnc2c1cnn2-c1cccc(Cl)c1 ZINC000004341720 531512644 /nfs/dbraw/zinc/51/26/44/531512644.db2.gz UEEWKFFCVNLMNJ-UHFFFAOYSA-N 1 2 377.857 2.324 50 0 GEAALO C[NH+]1CCN(c2nnc(SCC(=O)Nc3ccc(F)cc3F)s2)CC1 ZINC000023139707 531594081 /nfs/dbraw/zinc/59/40/81/531594081.db2.gz URQDCPAPKYKIOS-UHFFFAOYSA-N 1 2 385.465 2.299 50 0 GEAALO CC[N@@H+](Cc1ccc(Br)s1)CN1C(=O)C(=O)N(C(C)C)C1=O ZINC000023653416 531600463 /nfs/dbraw/zinc/60/04/63/531600463.db2.gz KWMQBFBGLRJIIK-UHFFFAOYSA-N 1 2 388.287 2.489 50 0 GEAALO CC[N@H+](Cc1ccc(Br)s1)CN1C(=O)C(=O)N(C(C)C)C1=O ZINC000023653416 531600469 /nfs/dbraw/zinc/60/04/69/531600469.db2.gz KWMQBFBGLRJIIK-UHFFFAOYSA-N 1 2 388.287 2.489 50 0 GEAALO Cc1cc(C(=O)Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2)cs1 ZINC000035904247 531660072 /nfs/dbraw/zinc/66/00/72/531660072.db2.gz NQMITUDEQCGOLP-UHFFFAOYSA-N 1 2 379.507 2.245 50 0 GEAALO O=c1cc(CO)oc(C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)c1O ZINC000001390655 212242000 /nfs/dbraw/zinc/24/20/00/212242000.db2.gz MBDATXMJEXDIJI-UHFFFAOYSA-N 1 2 384.354 2.179 50 0 GEAALO COc1cc2c(cc1OC)[C@@H](c1c(O)[nH]c(=S)n(C(C)C)c1=O)[NH2+]CC2 ZINC000001323202 212235221 /nfs/dbraw/zinc/23/52/21/212235221.db2.gz DXCBBGNRAAVLBQ-HNNXBMFYSA-N 1 2 377.466 2.071 50 0 GEAALO O=C1C[C@H]([NH+]2CCN(c3ccc(F)cc3)CC2)C(=O)N1CCc1ccccc1 ZINC000001197836 212227759 /nfs/dbraw/zinc/22/77/59/212227759.db2.gz BMMYEJAJPZXXPN-FQEVSTJZSA-N 1 2 381.451 2.318 50 0 GEAALO COc1cc([C@H]2C(C(N)=O)=C(C)[NH+]=C3N=CNN32)ccc1OCc1ccccc1 ZINC000000956652 212199555 /nfs/dbraw/zinc/19/95/55/212199555.db2.gz JDYOKVUCPKLNTK-IBGZPJMESA-N 1 2 391.431 2.293 50 0 GEAALO COc1ccccc1CNC(=O)C(=O)NCCCn1cc[nH+]c1-c1ccccc1 ZINC000253400847 212136017 /nfs/dbraw/zinc/13/60/17/212136017.db2.gz MBDLIOYZMIKOLU-UHFFFAOYSA-N 1 2 392.459 2.381 50 0 GEAALO O=C(NCCC1=CCCCC1)C(=O)NC[C@H](c1ccco1)[NH+]1CCSCC1 ZINC000253394882 212135747 /nfs/dbraw/zinc/13/57/47/212135747.db2.gz BJWCKSOWQJRVOR-QGZVFWFLSA-N 1 2 391.537 2.492 50 0 GEAALO CC(C)c1ccc(N2C(=O)N[C@@H](CCC(=O)NCCc3c[nH+]c[nH]3)C2=O)cc1 ZINC000253414994 212135565 /nfs/dbraw/zinc/13/55/65/212135565.db2.gz ZHVHICXMPYGDPD-KRWDZBQOSA-N 1 2 383.452 2.097 50 0 GEAALO CC(C)c1ccc(N2C(=O)N[C@@H](CCC(=O)NCCc3c[nH]c[nH+]3)C2=O)cc1 ZINC000253414994 212135572 /nfs/dbraw/zinc/13/55/72/212135572.db2.gz ZHVHICXMPYGDPD-KRWDZBQOSA-N 1 2 383.452 2.097 50 0 GEAALO O=C1NC(=O)C2(Cc3ccccc3N3CC[N@H+](Cc4ccccc4)C[C@@H]32)C(=O)N1 ZINC000018125276 212111516 /nfs/dbraw/zinc/11/15/16/212111516.db2.gz VCMAPYWNMGYANW-GOSISDBHSA-N 1 2 390.443 2.331 50 0 GEAALO O=C1NC(=O)C2(Cc3ccccc3N3CC[N@@H+](Cc4ccccc4)C[C@@H]32)C(=O)N1 ZINC000018125276 212111520 /nfs/dbraw/zinc/11/15/20/212111520.db2.gz VCMAPYWNMGYANW-GOSISDBHSA-N 1 2 390.443 2.331 50 0 GEAALO COc1cc(Br)c(CNC[C@H]2C[N@@H+](C3CC3)CCO2)cc1OC ZINC000106379467 212096359 /nfs/dbraw/zinc/09/63/59/212096359.db2.gz QULDFMAVXKCNLK-AWEZNQCLSA-N 1 2 385.302 2.419 50 0 GEAALO COc1cc(Br)c(CNC[C@H]2C[N@H+](C3CC3)CCO2)cc1OC ZINC000106379467 212096361 /nfs/dbraw/zinc/09/63/61/212096361.db2.gz QULDFMAVXKCNLK-AWEZNQCLSA-N 1 2 385.302 2.419 50 0 GEAALO CC1=C(C(N)=O)[C@H](c2cccc(O)c2)N2NC(c3cccc(Cl)c3)=NC2=[NH+]1 ZINC000004279821 220700232 /nfs/dbraw/zinc/70/02/32/220700232.db2.gz WQGIMPHDPWOCTQ-INIZCTEOSA-N 1 2 381.823 2.483 50 0 GEAALO CCS(=O)(=O)N1CCN(c2nc(C)[nH+]c(C)c2Cc2cccc(C)c2)CC1 ZINC000006833014 220969696 /nfs/dbraw/zinc/96/96/96/220969696.db2.gz XQBDREBQUPBNEN-UHFFFAOYSA-N 1 2 388.537 2.464 50 0 GEAALO COc1ccc([C@@H](NC(=O)[C@H]2COc3ccccc3O2)c2[nH+]ccn2C)cc1 ZINC000009154356 221071167 /nfs/dbraw/zinc/07/11/67/221071167.db2.gz GLTPHHDYAIAIIZ-RTBURBONSA-N 1 2 379.416 2.474 50 0 GEAALO COc1ccc(NC2=[NH+][C@H](C(=O)Nc3cc(OC)ccc3OC)C=C(O)N2)cc1 ZINC000009192455 221074131 /nfs/dbraw/zinc/07/41/31/221074131.db2.gz BHDBKLUPHLVUAP-INIZCTEOSA-N 1 2 398.419 2.008 50 0 GEAALO COc1cc2oc(=O)c(CC(=O)NCCc3c[nH+]c[nH]3)c(C)c2cc1Cl ZINC000009059910 221069184 /nfs/dbraw/zinc/06/91/84/221069184.db2.gz JMKMXQCKLGMJRT-UHFFFAOYSA-N 1 2 375.812 2.388 50 0 GEAALO COc1cc2oc(=O)c(CC(=O)NCCc3c[nH]c[nH+]3)c(C)c2cc1Cl ZINC000009059910 221069188 /nfs/dbraw/zinc/06/91/88/221069188.db2.gz JMKMXQCKLGMJRT-UHFFFAOYSA-N 1 2 375.812 2.388 50 0 GEAALO CC(C)N(Cc1[nH+]ccn1C)C(=O)[C@H]1CCC(=O)N(CCc2ccccn2)C1 ZINC000011820247 221129824 /nfs/dbraw/zinc/12/98/24/221129824.db2.gz AYWHMBWGJKLWFQ-KRWDZBQOSA-N 1 2 383.496 2.033 50 0 GEAALO CC(=O)Nc1cccc(C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)c1 ZINC000011525969 221117024 /nfs/dbraw/zinc/11/70/24/221117024.db2.gz XUNOHYAMLGDQFN-UHFFFAOYSA-N 1 2 394.475 2.478 50 0 GEAALO CCc1[nH+]c2cc(N)cc(C(=O)N[C@H](C(=O)OC)C(C)C)c2n1CCCOC ZINC000011911592 221136013 /nfs/dbraw/zinc/13/60/13/221136013.db2.gz XXCKJMURHUHCCP-KRWDZBQOSA-N 1 2 390.484 2.145 50 0 GEAALO CC[C@@H]1C[N@H+](CC(=O)NCCc2nnc(C)[nH]2)Cc2ccc(Cl)cc2O1 ZINC000012279456 221175032 /nfs/dbraw/zinc/17/50/32/221175032.db2.gz DWPQDHNQHYCFRW-OAHLLOKOSA-N 1 2 377.876 2.098 50 0 GEAALO CC[C@@H]1C[N@@H+](CC(=O)NCCc2nnc(C)[nH]2)Cc2ccc(Cl)cc2O1 ZINC000012279456 221175033 /nfs/dbraw/zinc/17/50/33/221175033.db2.gz DWPQDHNQHYCFRW-OAHLLOKOSA-N 1 2 377.876 2.098 50 0 GEAALO CCOC(=O)c1n[nH]cc1[C@@H]1C[C@H]2CN(Cc3ccc(C)o3)C(=O)[C@]23CCC[N@H+]13 ZINC000012297598 221175774 /nfs/dbraw/zinc/17/57/74/221175774.db2.gz FQZKDATXJFZWDB-LFRPXUGBSA-N 1 2 398.463 2.426 50 0 GEAALO CCOC(=O)c1n[nH]cc1[C@@H]1C[C@H]2CN(Cc3ccc(C)o3)C(=O)[C@]23CCC[N@@H+]13 ZINC000012297598 221175776 /nfs/dbraw/zinc/17/57/76/221175776.db2.gz FQZKDATXJFZWDB-LFRPXUGBSA-N 1 2 398.463 2.426 50 0 GEAALO COc1cccc(C[N@@H+]2CCNC(=O)[C@H]2CC(=O)NC2(c3ccccc3)CC2)c1 ZINC000012314592 221179005 /nfs/dbraw/zinc/17/90/05/221179005.db2.gz KJMLMOYDAMHBHE-HXUWFJFHSA-N 1 2 393.487 2.191 50 0 GEAALO COc1cccc(C[N@H+]2CCNC(=O)[C@H]2CC(=O)NC2(c3ccccc3)CC2)c1 ZINC000012314592 221179007 /nfs/dbraw/zinc/17/90/07/221179007.db2.gz KJMLMOYDAMHBHE-HXUWFJFHSA-N 1 2 393.487 2.191 50 0 GEAALO CCOc1ccc(C[N@@H+]2CCNC(=O)[C@H]2CC(=O)NCc2ccc(F)cc2)cc1 ZINC000012207271 221167433 /nfs/dbraw/zinc/16/74/33/221167433.db2.gz WDHDBGJSLYHAPD-HXUWFJFHSA-N 1 2 399.466 2.231 50 0 GEAALO CCOc1ccc(C[N@H+]2CCNC(=O)[C@H]2CC(=O)NCc2ccc(F)cc2)cc1 ZINC000012207271 221167435 /nfs/dbraw/zinc/16/74/35/221167435.db2.gz WDHDBGJSLYHAPD-HXUWFJFHSA-N 1 2 399.466 2.231 50 0 GEAALO Cn1cc[nH+]c1[C@@H](NC(=O)CNC(=O)c1ccc(F)cc1)c1ccc(F)cc1 ZINC000012578156 221210442 /nfs/dbraw/zinc/21/04/42/221210442.db2.gz MVFXTZPOLQVHQO-SFHVURJKSA-N 1 2 384.386 2.334 50 0 GEAALO Cn1cc[nH+]c1[C@H](NC(=O)c1nn(C)c(=O)c2ccccc12)c1cccc(F)c1 ZINC000012629219 221215918 /nfs/dbraw/zinc/21/59/18/221215918.db2.gz ZLHHSQKRAXALOW-QGZVFWFLSA-N 1 2 391.406 2.326 50 0 GEAALO NC(=O)C[NH+]1CCC(NC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)CC1 ZINC000012760016 221226844 /nfs/dbraw/zinc/22/68/44/221226844.db2.gz IDTCUGFTHZCGFG-UHFFFAOYSA-N 1 2 399.878 2.251 50 0 GEAALO C[N@H+](CC(=O)NC[C@@H]1COc2ccccc2O1)Cc1cnn(-c2ccccc2)c1 ZINC000012808044 221234843 /nfs/dbraw/zinc/23/48/43/221234843.db2.gz MDHQBNKQYRZYCK-LJQANCHMSA-N 1 2 392.459 2.260 50 0 GEAALO C[N@@H+](CC(=O)NC[C@@H]1COc2ccccc2O1)Cc1cnn(-c2ccccc2)c1 ZINC000012808044 221234846 /nfs/dbraw/zinc/23/48/46/221234846.db2.gz MDHQBNKQYRZYCK-LJQANCHMSA-N 1 2 392.459 2.260 50 0 GEAALO C[C@@H](C(=O)c1c[nH]c2ccccc12)[NH+]1CCN(c2ncnc3c2cnn3C)CC1 ZINC000012987081 221252783 /nfs/dbraw/zinc/25/27/83/221252783.db2.gz MBLSUBFCSYZKKW-AWEZNQCLSA-N 1 2 389.463 2.238 50 0 GEAALO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)c2csc3c2CCCC3)CC1 ZINC000012984860 221253331 /nfs/dbraw/zinc/25/33/31/221253331.db2.gz JQELVJFJJVROBU-UHFFFAOYSA-N 1 2 382.493 2.266 50 0 GEAALO COc1ccc([C@@H]2C(C(N)=O)=C(C)[NH+]=C3N=C(c4ccccc4)NN32)cc1OC ZINC000013131758 221261899 /nfs/dbraw/zinc/26/18/99/221261899.db2.gz KVZRPRBPGQDWJC-GOSISDBHSA-N 1 2 391.431 2.141 50 0 GEAALO O=C(C[C@@H]1C(=O)NCC[N@H+]1Cc1cccc(Oc2ccccc2)c1)N1CCCO1 ZINC000013594992 221277347 /nfs/dbraw/zinc/27/73/47/221277347.db2.gz QINKTHYQBYLDPZ-HXUWFJFHSA-N 1 2 395.459 2.333 50 0 GEAALO O=C(C[C@@H]1C(=O)NCC[N@@H+]1Cc1cccc(Oc2ccccc2)c1)N1CCCO1 ZINC000013594992 221277348 /nfs/dbraw/zinc/27/73/48/221277348.db2.gz QINKTHYQBYLDPZ-HXUWFJFHSA-N 1 2 395.459 2.333 50 0 GEAALO COc1ccc(C)cc1NC(=O)CNC(=O)C[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000014139372 221300925 /nfs/dbraw/zinc/30/09/25/221300925.db2.gz GNDKMJXBVWIPOQ-CYBMUJFWSA-N 1 2 387.402 2.333 50 0 GEAALO COc1ccc(C)cc1NC(=O)CNC(=O)C[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000014139372 221300926 /nfs/dbraw/zinc/30/09/26/221300926.db2.gz GNDKMJXBVWIPOQ-CYBMUJFWSA-N 1 2 387.402 2.333 50 0 GEAALO O=C1N[C@H](Cc2ccccc2)C(=O)N2CC[N@@H+](Cc3ccccc3Cl)C[C@H]12 ZINC000014542433 221311816 /nfs/dbraw/zinc/31/18/16/221311816.db2.gz ZNEJCULBNBFPRE-RTBURBONSA-N 1 2 383.879 2.094 50 0 GEAALO O=C1N[C@H](Cc2ccccc2)C(=O)N2CC[N@H+](Cc3ccccc3Cl)C[C@H]12 ZINC000014542433 221311820 /nfs/dbraw/zinc/31/18/20/221311820.db2.gz ZNEJCULBNBFPRE-RTBURBONSA-N 1 2 383.879 2.094 50 0 GEAALO Cn1cc(C[N@H+]2CC(=O)N(C3CCCCC3)C[C@@H](OCc3cccnc3)C2)cn1 ZINC000014543552 221311945 /nfs/dbraw/zinc/31/19/45/221311945.db2.gz IYHKIXRCJWOGNL-NRFANRHFSA-N 1 2 397.523 2.377 50 0 GEAALO Cn1cc(C[N@@H+]2CC(=O)N(C3CCCCC3)C[C@@H](OCc3cccnc3)C2)cn1 ZINC000014543552 221311950 /nfs/dbraw/zinc/31/19/50/221311950.db2.gz IYHKIXRCJWOGNL-NRFANRHFSA-N 1 2 397.523 2.377 50 0 GEAALO Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)CCNC(=O)c2ccccc2)cc1 ZINC000014182638 221302239 /nfs/dbraw/zinc/30/22/39/221302239.db2.gz NVPQCLLNTJTMRS-OAQYLSRUSA-N 1 2 395.503 2.305 50 0 GEAALO CCn1ccnc1CNC(=O)C1([N@H+]2C[C@@H](C)O[C@@H](C)C2)Cc2ccccc2C1 ZINC000015066263 221328975 /nfs/dbraw/zinc/32/89/75/221328975.db2.gz CKSXIDRNUIRNPH-CALCHBBNSA-N 1 2 382.508 2.166 50 0 GEAALO CCn1ccnc1CNC(=O)C1([N@@H+]2C[C@@H](C)O[C@@H](C)C2)Cc2ccccc2C1 ZINC000015066263 221328976 /nfs/dbraw/zinc/32/89/76/221328976.db2.gz CKSXIDRNUIRNPH-CALCHBBNSA-N 1 2 382.508 2.166 50 0 GEAALO COc1ccc([C@H](NC(=O)C2CCN(C(=O)C3CC3)CC2)c2[nH+]ccn2C)cc1 ZINC000016475006 221363201 /nfs/dbraw/zinc/36/32/01/221363201.db2.gz OZKYSZUEKGBGCK-IBGZPJMESA-N 1 2 396.491 2.283 50 0 GEAALO COC(=O)c1ccc(C)c(NC(=O)C[N@H+](C)C[C@@H]2COc3ccccc3O2)c1 ZINC000016628302 221366057 /nfs/dbraw/zinc/36/60/57/221366057.db2.gz GBAUIAANPCYZNN-MRXNPFEDSA-N 1 2 384.432 2.492 50 0 GEAALO COC(=O)c1ccc(C)c(NC(=O)C[N@@H+](C)C[C@@H]2COc3ccccc3O2)c1 ZINC000016628302 221366060 /nfs/dbraw/zinc/36/60/60/221366060.db2.gz GBAUIAANPCYZNN-MRXNPFEDSA-N 1 2 384.432 2.492 50 0 GEAALO Cc1c(C(N)=O)sc(NC(=O)C[N@@H+]2CCC[C@@H](C)C2)c1C(=O)OC(C)C ZINC000017078000 221377527 /nfs/dbraw/zinc/37/75/27/221377527.db2.gz RDMHPAWJSAVUCM-LLVKDONJSA-N 1 2 381.498 2.391 50 0 GEAALO Cc1c(C(N)=O)sc(NC(=O)C[N@H+]2CCC[C@@H](C)C2)c1C(=O)OC(C)C ZINC000017078000 221377530 /nfs/dbraw/zinc/37/75/30/221377530.db2.gz RDMHPAWJSAVUCM-LLVKDONJSA-N 1 2 381.498 2.391 50 0 GEAALO O=C1C[C@@H]([NH+]2CCC3(CC2)OCCO3)C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000018077660 221387262 /nfs/dbraw/zinc/38/72/62/221387262.db2.gz DLZVBHAZRRDJPH-CQSZACIVSA-N 1 2 385.247 2.464 50 0 GEAALO O=S(=O)(NCC1([NH+]2CCOCC2)CCCCC1)c1cccc2nsnc21 ZINC000019077005 221395663 /nfs/dbraw/zinc/39/56/63/221395663.db2.gz SXSCASPLSPBAKX-UHFFFAOYSA-N 1 2 396.538 2.005 50 0 GEAALO COc1ccc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1OC ZINC000019561354 221426636 /nfs/dbraw/zinc/42/66/36/221426636.db2.gz UGZXWOLDVBOYLN-UHFFFAOYSA-N 1 2 376.478 2.210 50 0 GEAALO O=C(Nc1ccc(Cl)cc1C(=O)NCC[NH+]1CCOCC1)c1ccco1 ZINC000019973835 221466882 /nfs/dbraw/zinc/46/68/82/221466882.db2.gz HWLNLTSOZHSTOA-UHFFFAOYSA-N 1 2 377.828 2.247 50 0 GEAALO C[C@H](NC(=O)N1CCN(c2cccc[nH+]2)CC1)C(=O)NCCC1=CCCCC1 ZINC000061721824 136156051 /nfs/dbraw/zinc/15/60/51/136156051.db2.gz VKRNMOTXAJBSJP-KRWDZBQOSA-N 1 2 385.512 2.308 50 0 GEAALO O=C(Nc1nccnc1C(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000065228675 136160507 /nfs/dbraw/zinc/16/05/07/136160507.db2.gz JFJPAIRYRQMHDC-UHFFFAOYSA-N 1 2 388.431 2.086 50 0 GEAALO CCN(CC)c1[nH+]cnc2c1cnn2CC(=O)N1CCN(c2ccccc2)CC1 ZINC000065295892 136162922 /nfs/dbraw/zinc/16/29/22/136162922.db2.gz FFWFEDUBJZGXKZ-UHFFFAOYSA-N 1 2 393.495 2.021 50 0 GEAALO O=C1[C@H]([NH+]2CCN(c3nccc(C(F)(F)F)n3)CC2)CCN1c1ccccc1 ZINC000068828464 136165103 /nfs/dbraw/zinc/16/51/03/136165103.db2.gz PRGIRJZBQRSIAA-OAHLLOKOSA-N 1 2 391.397 2.423 50 0 GEAALO COc1ccc(C2(C(=O)N3CCN(c4cccc[nH+]4)CC3)CCOCC2)cc1 ZINC000071284861 136165543 /nfs/dbraw/zinc/16/55/43/136165543.db2.gz ZXTOJVGDRMIRNX-UHFFFAOYSA-N 1 2 381.476 2.487 50 0 GEAALO O=C(C[NH+]1CCC2(CC1)c1ccccc1C[C@H]2O)N1CCOc2ccccc21 ZINC000072150091 136167158 /nfs/dbraw/zinc/16/71/58/136167158.db2.gz CVDFGBDXIJILOZ-OAQYLSRUSA-N 1 2 378.472 2.363 50 0 GEAALO O=C(NCCNc1cc(N2CCOCC2)nc[nH+]1)c1ccc2ccccc2c1 ZINC000077136011 136171728 /nfs/dbraw/zinc/17/17/28/136171728.db2.gz MXHKVCOHEZVDKB-UHFFFAOYSA-N 1 2 377.448 2.308 50 0 GEAALO O=C(NCCNc1cc(N2CCOCC2)[nH+]cn1)c1ccc2ccccc2c1 ZINC000077136011 136171729 /nfs/dbraw/zinc/17/17/29/136171729.db2.gz MXHKVCOHEZVDKB-UHFFFAOYSA-N 1 2 377.448 2.308 50 0 GEAALO Cc1cc(N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](CCC(=O)[O-])C2)nc(C(C)C)[nH+]1 ZINC000091548770 136176614 /nfs/dbraw/zinc/17/66/14/136176614.db2.gz OIYSNQUNDYKFOS-MSOLQXFVSA-N 1 2 389.544 2.216 50 0 GEAALO O=C1CCC2(CCN(c3ncnc4c3CCC4)CC2)CN1CCCn1cc[nH+]c1 ZINC000091657347 136176771 /nfs/dbraw/zinc/17/67/71/136176771.db2.gz RXHSCIKPKHXLEL-UHFFFAOYSA-N 1 2 394.523 2.461 50 0 GEAALO Cc1cc(C(F)(F)F)nc(N2CCN(C(=O)CCCn3cc[nH+]c3)CC2)n1 ZINC000091657306 136176936 /nfs/dbraw/zinc/17/69/36/136176936.db2.gz HUTAGTWKZKPOSQ-UHFFFAOYSA-N 1 2 382.390 2.129 50 0 GEAALO COc1ccccc1CNC(=O)C[NH+]1CCN(c2ncnc3sccc32)CC1 ZINC000123876410 136192482 /nfs/dbraw/zinc/19/24/82/136192482.db2.gz PGHCRBRAKSSYTG-UHFFFAOYSA-N 1 2 397.504 2.138 50 0 GEAALO O=S(=O)(Cc1ccc(F)cc1)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000011900545 136199768 /nfs/dbraw/zinc/19/97/68/136199768.db2.gz PZTLCKCAZNIRGP-UHFFFAOYSA-N 1 2 377.485 2.067 50 0 GEAALO COc1ccc(OC)c(C[NH+]2CCN(c3nnnn3-c3ccccc3)CC2)c1 ZINC000054771835 222013401 /nfs/dbraw/zinc/01/34/01/222013401.db2.gz AGWYBQLJKVFRHD-UHFFFAOYSA-N 1 2 380.452 2.002 50 0 GEAALO Cn1cc(CC[NH+]2CCN(S(=O)(=O)c3cccs3)CC2)c2cccnc21 ZINC000065164723 222104886 /nfs/dbraw/zinc/10/48/86/222104886.db2.gz JNUAQZQDVPMKHP-UHFFFAOYSA-N 1 2 390.534 2.184 50 0 GEAALO CCc1nnc(C[NH2+]C[C@@]2(O)CCCN(Cc3ccc(C(C)C)cc3)C2=O)o1 ZINC000067757192 222157059 /nfs/dbraw/zinc/15/70/59/222157059.db2.gz BOHJSOICIXWKBD-NRFANRHFSA-N 1 2 386.496 2.399 50 0 GEAALO O=C(COc1ccccc1Cl)N1CCN(c2ccc(-n3cc[nH+]c3)nn2)CC1 ZINC000070641066 222176924 /nfs/dbraw/zinc/17/69/24/222176924.db2.gz DSBYXTVMIHGFCZ-UHFFFAOYSA-N 1 2 398.854 2.043 50 0 GEAALO C[C@@H](NC(=O)N1CCN(c2cccc[nH+]2)CC1)C(=O)Nc1ccc2[nH]ccc2c1 ZINC000071333064 222182443 /nfs/dbraw/zinc/18/24/43/222182443.db2.gz LWBXWMMBWZWPAE-OAHLLOKOSA-N 1 2 392.463 2.422 50 0 GEAALO CC(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000071334018 222183289 /nfs/dbraw/zinc/18/32/89/222183289.db2.gz LZLVQJHZWPHCJY-OAHLLOKOSA-N 1 2 395.463 2.143 50 0 GEAALO O=C(c1cn2c(n1)C[NH2+]CC2)N1CC(=O)Nc2ccccc2[C@H]1c1ccccc1 ZINC000072133324 222210011 /nfs/dbraw/zinc/21/00/11/222210011.db2.gz IUNGREYYGOKNQV-OAQYLSRUSA-N 1 2 387.443 2.170 50 0 GEAALO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000072157176 222213163 /nfs/dbraw/zinc/21/31/63/222213163.db2.gz VISBNLDVENVJGL-INIZCTEOSA-N 1 2 380.489 2.119 50 0 GEAALO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000072157176 222213166 /nfs/dbraw/zinc/21/31/66/222213166.db2.gz VISBNLDVENVJGL-INIZCTEOSA-N 1 2 380.489 2.119 50 0 GEAALO O=C(N1CC[C@H]([NH+]2CCOCC2)C1)C1(c2ccc(Br)cc2)CC1 ZINC000072297654 222219469 /nfs/dbraw/zinc/21/94/69/222219469.db2.gz WVWSTLOIZBBBSJ-INIZCTEOSA-N 1 2 379.298 2.414 50 0 GEAALO O=S1(=O)C[C@H]2[C@@H](C1)N(Cc1cccnc1)CC[N@H+]2CCCC1CCCC1 ZINC000072409473 222254776 /nfs/dbraw/zinc/25/47/76/222254776.db2.gz NJSKCHVHEIDZFU-VQTJNVASSA-N 1 2 377.554 2.335 50 0 GEAALO O=S1(=O)C[C@H]2[C@@H](C1)N(Cc1cccnc1)CC[N@@H+]2CCCC1CCCC1 ZINC000072409473 222254780 /nfs/dbraw/zinc/25/47/80/222254780.db2.gz NJSKCHVHEIDZFU-VQTJNVASSA-N 1 2 377.554 2.335 50 0 GEAALO O=S1(=O)C[C@H]2[C@@H](C1)[N@@H+](CC1CC1)CCN2Cc1cccc(C(F)(F)F)c1 ZINC000072408992 222254823 /nfs/dbraw/zinc/25/48/23/222254823.db2.gz OOXGARFGRIMOIR-SJORKVTESA-N 1 2 388.455 2.399 50 0 GEAALO O=S1(=O)C[C@H]2[C@@H](C1)[N@H+](CC1CC1)CCN2Cc1cccc(C(F)(F)F)c1 ZINC000072408992 222254824 /nfs/dbraw/zinc/25/48/24/222254824.db2.gz OOXGARFGRIMOIR-SJORKVTESA-N 1 2 388.455 2.399 50 0 GEAALO O=C(CCc1ccccc1)N1CC[C@@H]2[C@@H](CCC(=O)N2CCc2c[nH+]c[nH]2)C1 ZINC000072407680 222255853 /nfs/dbraw/zinc/25/58/53/222255853.db2.gz DCIRPVDXTPWMOB-AZUAARDMSA-N 1 2 380.492 2.425 50 0 GEAALO O=C(CCc1ccccc1)N1CC[C@@H]2[C@@H](CCC(=O)N2CCc2c[nH]c[nH+]2)C1 ZINC000072407680 222255855 /nfs/dbraw/zinc/25/58/55/222255855.db2.gz DCIRPVDXTPWMOB-AZUAARDMSA-N 1 2 380.492 2.425 50 0 GEAALO COc1cc(C[N@@H+]2CCN(c3noc(C(C)C)n3)C[C@H]2CCO)cc(OC)c1 ZINC000072425584 222259911 /nfs/dbraw/zinc/25/99/11/222259911.db2.gz JLRWIRCCQRSHQH-MRXNPFEDSA-N 1 2 390.484 2.283 50 0 GEAALO COc1cc(C[N@H+]2CCN(c3noc(C(C)C)n3)C[C@H]2CCO)cc(OC)c1 ZINC000072425584 222259914 /nfs/dbraw/zinc/25/99/14/222259914.db2.gz JLRWIRCCQRSHQH-MRXNPFEDSA-N 1 2 390.484 2.283 50 0 GEAALO Cc1ccc(NC(=O)N2CC[N@@H+](CC(C)C)[C@@H]3CS(=O)(=O)C[C@@H]32)c(C)c1 ZINC000072439487 222260600 /nfs/dbraw/zinc/26/06/00/222260600.db2.gz SAYAOBDUEMPUQN-MSOLQXFVSA-N 1 2 379.526 2.275 50 0 GEAALO Cc1ccc(NC(=O)N2CC[N@H+](CC(C)C)[C@@H]3CS(=O)(=O)C[C@@H]32)c(C)c1 ZINC000072439487 222260604 /nfs/dbraw/zinc/26/06/04/222260604.db2.gz SAYAOBDUEMPUQN-MSOLQXFVSA-N 1 2 379.526 2.275 50 0 GEAALO Cc1ccc(C)c(C[N@@H+]2CCN(Cc3cccnc3)[C@@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000072432320 222261267 /nfs/dbraw/zinc/26/12/67/222261267.db2.gz SQJGMYNHKQMUFZ-RTWAWAEBSA-N 1 2 385.533 2.182 50 0 GEAALO Cc1ccc(C)c(C[N@H+]2CCN(Cc3cccnc3)[C@@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000072432320 222261271 /nfs/dbraw/zinc/26/12/71/222261271.db2.gz SQJGMYNHKQMUFZ-RTWAWAEBSA-N 1 2 385.533 2.182 50 0 GEAALO NC(=O)Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2c[nH]nc2C2CCCCC2)C1 ZINC000095500137 222333935 /nfs/dbraw/zinc/33/39/35/222333935.db2.gz MEDGJFYMISAIKM-OAHLLOKOSA-N 1 2 384.484 2.159 50 0 GEAALO O=C(COC[C@H]1CCCO1)N1CCC(c2[nH+]ccn2Cc2ccncc2)CC1 ZINC000095499088 222334258 /nfs/dbraw/zinc/33/42/58/222334258.db2.gz GJULRWQCLIYPJT-LJQANCHMSA-N 1 2 384.480 2.228 50 0 GEAALO Cc1ccc(C(=O)N2CCC(c3[nH+]ccn3Cc3cscn3)CC2)c(=O)[nH]1 ZINC000095499888 222335002 /nfs/dbraw/zinc/33/50/02/222335002.db2.gz NGKZENHRNVJQBI-UHFFFAOYSA-N 1 2 383.477 2.404 50 0 GEAALO NC(=O)Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2cc(-c3ccccc3)on2)C1 ZINC000095502596 222336070 /nfs/dbraw/zinc/33/60/70/222336070.db2.gz ZOKKGVBVDLRUOP-HNNXBMFYSA-N 1 2 379.420 2.043 50 0 GEAALO CCn1cc[nH+]c1C1CCN(C(=O)[C@@H](c2cccnc2)N2CCOCC2)CC1 ZINC000095504826 222338964 /nfs/dbraw/zinc/33/89/64/222338964.db2.gz WEXXFWHVCYEPQU-LJQANCHMSA-N 1 2 383.496 2.078 50 0 GEAALO Cn1cc(C(=O)N2CCC[C@@H](c3[nH+]ccn3Cc3cscn3)C2)ccc1=O ZINC000095517531 222343495 /nfs/dbraw/zinc/34/34/95/222343495.db2.gz CXSPZPFILZHEPY-CQSZACIVSA-N 1 2 383.477 2.106 50 0 GEAALO CCc1nc(C[N@@H+]2CCC[C@]3(CCC(=O)N(CCc4ccccn4)C3)C2)no1 ZINC000077518421 222284789 /nfs/dbraw/zinc/28/47/89/222284789.db2.gz XCHULLACSKISPD-NRFANRHFSA-N 1 2 383.496 2.474 50 0 GEAALO CCc1nc(C[N@H+]2CCC[C@]3(CCC(=O)N(CCc4ccccn4)C3)C2)no1 ZINC000077518421 222284795 /nfs/dbraw/zinc/28/47/95/222284795.db2.gz XCHULLACSKISPD-NRFANRHFSA-N 1 2 383.496 2.474 50 0 GEAALO O=C(Cn1cnc2ccccc2c1=O)N1CCC[C@H](c2[nH+]ccn2CC2CC2)C1 ZINC000095518464 222344692 /nfs/dbraw/zinc/34/46/92/222344692.db2.gz HSFULISZVLQRPW-KRWDZBQOSA-N 1 2 391.475 2.409 50 0 GEAALO O=C(C1CC1)N1CCc2[nH]c[nH+]c2C12CCN(C(=O)[C@@H]1C[C@@H]3C=C[C@H]1C3)CC2 ZINC000095526986 222351614 /nfs/dbraw/zinc/35/16/14/222351614.db2.gz QAIYRVHZRDHDAW-HYVNUMGLSA-N 1 2 380.492 2.234 50 0 GEAALO Cc1cc(C)n(-c2ccc(NC(=O)C3CC[NH+](Cc4nncn4C)CC3)cc2)n1 ZINC000095527975 222351659 /nfs/dbraw/zinc/35/16/59/222351659.db2.gz HXKCXTGIOSAGKX-UHFFFAOYSA-N 1 2 393.495 2.468 50 0 GEAALO CSc1ncc(C[NH+]2CCC3(CC2)c2nc[nH]c2CCN3C(=O)C2CC2)cn1 ZINC000095530150 222352872 /nfs/dbraw/zinc/35/28/72/222352872.db2.gz AQAXHHQSYHEKOK-UHFFFAOYSA-N 1 2 398.536 2.208 50 0 GEAALO CSc1ncc(C[NH+]2CCC3(CC2)c2[nH]cnc2CCN3C(=O)C2CC2)cn1 ZINC000095530150 222352876 /nfs/dbraw/zinc/35/28/76/222352876.db2.gz AQAXHHQSYHEKOK-UHFFFAOYSA-N 1 2 398.536 2.208 50 0 GEAALO O=C(OCCCn1cc[nH+]c1)c1cccc(S(=O)(=O)NCc2ccco2)c1 ZINC000095942960 222362129 /nfs/dbraw/zinc/36/21/29/222362129.db2.gz LFARUKHDJONVKW-UHFFFAOYSA-N 1 2 389.433 2.202 50 0 GEAALO Cc1noc(CCCC(=O)N2CC[NH+](Cc3c(C)nc4cc(C)ccn43)CC2)n1 ZINC000095953837 222363931 /nfs/dbraw/zinc/36/39/31/222363931.db2.gz ZXIWSCDEAGCPLH-UHFFFAOYSA-N 1 2 396.495 2.310 50 0 GEAALO CCNC(=O)[C@@H]1C[C@H](NC(=O)c2csc(C)n2)C[N@@H+]1Cc1ccsc1 ZINC000096141854 222388113 /nfs/dbraw/zinc/38/81/13/222388113.db2.gz DRNRFCCFIBHREX-ZFWWWQNUSA-N 1 2 378.523 2.022 50 0 GEAALO CCNC(=O)[C@@H]1C[C@H](NC(=O)c2csc(C)n2)C[N@H+]1Cc1ccsc1 ZINC000096141854 222388116 /nfs/dbraw/zinc/38/81/16/222388116.db2.gz DRNRFCCFIBHREX-ZFWWWQNUSA-N 1 2 378.523 2.022 50 0 GEAALO CCn1c(C[NH+](C)C)nnc1C1CCN(C(=O)c2ccc(N(C)C)cc2)CC1 ZINC000096151906 222390857 /nfs/dbraw/zinc/39/08/57/222390857.db2.gz UXHGKHFBEKWEAL-UHFFFAOYSA-N 1 2 384.528 2.445 50 0 GEAALO C[C@H](CNS(=O)(=O)c1cccc(C(=O)NC2CCCC2)c1)n1cc[nH+]c1 ZINC000095388314 534120850 /nfs/dbraw/zinc/12/08/50/534120850.db2.gz GWNRXPFWGIHUIM-CQSZACIVSA-N 1 2 376.482 2.095 50 0 GEAALO O=C(NCCc1nc2ccccc2c(=O)[nH]1)N1CCC[C@@H](Cn2cc[nH+]c2)C1 ZINC000426684361 534502979 /nfs/dbraw/zinc/50/29/79/534502979.db2.gz FAKVUQHMVLAVPK-HNNXBMFYSA-N 1 2 380.452 2.196 50 0 GEAALO Cc1nc(N2CCC(C(=O)NCc3ccccn3)CC2)cc([C@H]2CCOC2)[nH+]1 ZINC000426613593 534614097 /nfs/dbraw/zinc/61/40/97/534614097.db2.gz HQRKHFNIOOPAPT-KRWDZBQOSA-N 1 2 381.480 2.217 50 0 GEAALO COc1cc(CN2CC[NH+](CC(=O)N3CCCCC3)CC2)ccc1OC(F)F ZINC000040009504 522383030 /nfs/dbraw/zinc/38/30/30/522383030.db2.gz ZEBJHGIPMIGEED-UHFFFAOYSA-N 1 2 397.466 2.427 50 0 GEAALO COc1cc(C[NH+]2CCN(CC(=O)N3CCCCC3)CC2)ccc1OC(F)F ZINC000040009504 522383039 /nfs/dbraw/zinc/38/30/39/522383039.db2.gz ZEBJHGIPMIGEED-UHFFFAOYSA-N 1 2 397.466 2.427 50 0 GEAALO Cn1c(C[NH+]2CCCCC2)nnc1[C@H]1CCCN(C(=O)Cc2cccnc2)C1 ZINC000426640408 534687306 /nfs/dbraw/zinc/68/73/06/534687306.db2.gz PCFHMOGYVOHHGC-SFHVURJKSA-N 1 2 382.512 2.145 50 0 GEAALO CN(C)C(=O)c1cc2c(s1)CC[C@H](C(=O)N1CCN(c3cccc[nH+]3)CC1)C2 ZINC000096398255 536098306 /nfs/dbraw/zinc/09/83/06/536098306.db2.gz QZHLZGNRKBBJJZ-HNNXBMFYSA-N 1 2 398.532 2.299 50 0 GEAALO COc1ccc(C=CC(=O)NC(=S)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000100818515 536581981 /nfs/dbraw/zinc/58/19/81/536581981.db2.gz QITZZAKZEOZKFK-JXMROGBWSA-N 1 2 382.489 2.327 50 0 GEAALO CC[C@H](C)C(=O)NCc1nnc2n1CC[N@@H+](Cc1ccc(F)cc1F)CC2 ZINC000019740234 570212244 /nfs/dbraw/zinc/21/22/44/570212244.db2.gz OFALFCKUIISUQR-ZDUSSCGKSA-N 1 2 377.439 2.277 50 0 GEAALO CC[C@H](C)C(=O)NCc1nnc2n1CC[N@H+](Cc1ccc(F)cc1F)CC2 ZINC000019740234 570212249 /nfs/dbraw/zinc/21/22/49/570212249.db2.gz OFALFCKUIISUQR-ZDUSSCGKSA-N 1 2 377.439 2.277 50 0 GEAALO O=C(NCc1ccccc1Cn1cc[nH+]c1)[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000048253974 570227228 /nfs/dbraw/zinc/22/72/28/570227228.db2.gz USYKESJIVIIHRG-FQEVSTJZSA-N 1 2 395.507 2.475 50 0 GEAALO COc1cc(C(C)=O)ccc1OC[C@@H](O)C[NH+]1CCN(c2ccccc2)CC1 ZINC000019908872 570229218 /nfs/dbraw/zinc/22/92/18/570229218.db2.gz SOYWLRJXLFYDKT-FQEVSTJZSA-N 1 2 384.476 2.460 50 0 GEAALO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2S(=O)(=O)c2cccc3cnccc32)C[C@H](C)O1 ZINC000048285948 570231764 /nfs/dbraw/zinc/23/17/64/570231764.db2.gz VHVDSXNRYPGZTM-JZXOWHBKSA-N 1 2 389.521 2.497 50 0 GEAALO C[C@@H]1C[N@H+](C[C@@H]2CCCN2S(=O)(=O)c2cccc3cnccc32)C[C@H](C)O1 ZINC000048285948 570231765 /nfs/dbraw/zinc/23/17/65/570231765.db2.gz VHVDSXNRYPGZTM-JZXOWHBKSA-N 1 2 389.521 2.497 50 0 GEAALO Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)NCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000048342228 570239455 /nfs/dbraw/zinc/23/94/55/570239455.db2.gz DOMCLEPLIVZWJK-GJZGRUSLSA-N 1 2 388.487 2.396 50 0 GEAALO O=C(CNC(=O)c1ccoc1)NCc1ccc(N2CCc3ccccc3C2)[nH+]c1 ZINC000048363887 570245219 /nfs/dbraw/zinc/24/52/19/570245219.db2.gz DLWZPVYXTMBTMZ-UHFFFAOYSA-N 1 2 390.443 2.284 50 0 GEAALO C[NH+]1CCN(C(=O)c2cnn(-c3nccc(-c4ccco4)n3)c2C2CC2)CC1 ZINC000020211642 570248273 /nfs/dbraw/zinc/24/82/73/570248273.db2.gz NUPYMZCOTSKIAK-UHFFFAOYSA-N 1 2 378.436 2.187 50 0 GEAALO O=C(c1ccoc1)N1CCC[C@@H](N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000020212076 570248589 /nfs/dbraw/zinc/24/85/89/570248589.db2.gz QFRKXFVSPSEZQA-LJQANCHMSA-N 1 2 397.475 2.431 50 0 GEAALO Cc1ccc(C(=O)C[C@]2(O)c3ccccc3N(CN3CC[NH+](C)CC3)C2=O)cc1 ZINC000020414329 570254759 /nfs/dbraw/zinc/25/47/59/570254759.db2.gz XJVVHIGEKBTSJV-QHCPKHFHSA-N 1 2 393.487 2.007 50 0 GEAALO Cc1c(C(=O)N(CCCn2cc[nH+]c2)Cc2ccncc2)cnc2ccnn21 ZINC000097797492 570256301 /nfs/dbraw/zinc/25/63/01/570256301.db2.gz OEQCAUFJVOPIOU-UHFFFAOYSA-N 1 2 375.436 2.362 50 0 GEAALO C[N@H+](CC(=O)N1CCn2nc(Cc3ccccc3)cc2C1)Cc1ccncc1 ZINC000097805692 570256838 /nfs/dbraw/zinc/25/68/38/570256838.db2.gz IYHFXZBGYABCMV-UHFFFAOYSA-N 1 2 375.476 2.343 50 0 GEAALO C[N@@H+](CC(=O)N1CCn2nc(Cc3ccccc3)cc2C1)Cc1ccncc1 ZINC000097805692 570256841 /nfs/dbraw/zinc/25/68/41/570256841.db2.gz IYHFXZBGYABCMV-UHFFFAOYSA-N 1 2 375.476 2.343 50 0 GEAALO COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CC[N@H+]1CC(=O)NC1CCCC1 ZINC000049092827 570262384 /nfs/dbraw/zinc/26/23/84/570262384.db2.gz QNKDJFVIIBJBQL-QGZVFWFLSA-N 1 2 390.480 2.225 50 0 GEAALO COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1CC(=O)NC1CCCC1 ZINC000049092827 570262386 /nfs/dbraw/zinc/26/23/86/570262386.db2.gz QNKDJFVIIBJBQL-QGZVFWFLSA-N 1 2 390.480 2.225 50 0 GEAALO CC1(C(=O)N2CCC[C@H](N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)C2)CC1 ZINC000020514042 570265096 /nfs/dbraw/zinc/26/50/96/570265096.db2.gz ZRTCGUBSLMECPH-SFHVURJKSA-N 1 2 385.508 2.324 50 0 GEAALO CCOC(=O)CN1CCC[C@@H]1c1ccc(C(=O)NCCn2cc[nH+]c2)s1 ZINC000020538921 570266156 /nfs/dbraw/zinc/26/61/56/570266156.db2.gz LXBCIZSDYQNSKQ-CQSZACIVSA-N 1 2 376.482 2.075 50 0 GEAALO CCN1CC[NH+](C2(C(=O)N3CCC[C@H](COC)C3)Cc3ccccc3C2)CC1 ZINC000020536149 570266333 /nfs/dbraw/zinc/26/63/33/570266333.db2.gz VJHHAKMCPYXKTD-IBGZPJMESA-N 1 2 385.552 2.047 50 0 GEAALO C[C@@H](NC(=O)CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1)c1ccccc1 ZINC000020661438 570274114 /nfs/dbraw/zinc/27/41/14/570274114.db2.gz YYYJPSZEHOWNAK-QGZVFWFLSA-N 1 2 381.476 2.410 50 0 GEAALO Cn1cc(CNc2ccc(C(=O)N3CCC[C@@H](Cn4cc[nH+]c4)C3)cn2)cn1 ZINC000020997797 570286786 /nfs/dbraw/zinc/28/67/86/570286786.db2.gz TWEOODVQBSNJSZ-INIZCTEOSA-N 1 2 379.468 2.176 50 0 GEAALO O=S(=O)(N1CCCC1)N1CC[NH+](Cc2ccc([C@@H]3CCCO3)s2)CC1 ZINC000215517117 570289425 /nfs/dbraw/zinc/28/94/25/570289425.db2.gz MWQKKXJMAWNVAG-INIZCTEOSA-N 1 2 385.555 2.058 50 0 GEAALO Cc1cccc(CNC(=O)CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c1 ZINC000034685254 570301744 /nfs/dbraw/zinc/30/17/44/570301744.db2.gz NCNOWKHZVFFQPO-UHFFFAOYSA-N 1 2 381.476 2.158 50 0 GEAALO Cc1ccc2nc(CN3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)cc(=O)n2c1 ZINC000022225911 570307788 /nfs/dbraw/zinc/30/77/88/570307788.db2.gz RCHUPBGGRXNXSW-UHFFFAOYSA-N 1 2 392.459 2.049 50 0 GEAALO Cc1ccc2nc(C[NH+]3CCN(Cc4ccc5c(c4)OCO5)CC3)cc(=O)n2c1 ZINC000022225911 570307792 /nfs/dbraw/zinc/30/77/92/570307792.db2.gz RCHUPBGGRXNXSW-UHFFFAOYSA-N 1 2 392.459 2.049 50 0 GEAALO CN(C)S(=O)(=O)c1ccccc1CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000024050878 570344313 /nfs/dbraw/zinc/34/43/13/570344313.db2.gz WORBOVPZDJGSQS-UHFFFAOYSA-N 1 2 384.461 2.053 50 0 GEAALO O=S(=O)(NCC1([NH+]2CCOCC2)CCCCC1)c1ccc2c(c1)CCC2 ZINC000023673204 570368785 /nfs/dbraw/zinc/36/87/85/570368785.db2.gz QUVRJHYYJMCJFX-UHFFFAOYSA-N 1 2 378.538 2.489 50 0 GEAALO CCCCn1nc(C(=O)N[C@H](c2[nH+]ccn2C)c2cccc(F)c2)ccc1=O ZINC000023780287 570372303 /nfs/dbraw/zinc/37/23/03/570372303.db2.gz AOHSPCXXYSGOKK-SFHVURJKSA-N 1 2 383.427 2.435 50 0 GEAALO Cn1cc[nH+]c1[C@@H](NC(=O)c1cccc(-n2cnnn2)c1)c1ccc(F)cc1 ZINC000023776813 570372384 /nfs/dbraw/zinc/37/23/84/570372384.db2.gz VKVZGAHLTIBEGY-KRWDZBQOSA-N 1 2 377.383 2.054 50 0 GEAALO COc1ccc(CC(=O)NCc2ccccc2C[NH+]2CCOCC2)cc1OC ZINC000023955966 570375844 /nfs/dbraw/zinc/37/58/44/570375844.db2.gz HSSSNMLCMZLDCF-UHFFFAOYSA-N 1 2 384.476 2.395 50 0 GEAALO COC(=O)c1ccc(C(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)cc1 ZINC000024301162 570381705 /nfs/dbraw/zinc/38/17/05/570381705.db2.gz MSPFMYUMVCHUJD-UHFFFAOYSA-N 1 2 380.444 2.366 50 0 GEAALO CCOc1ccc(C[NH+]2CCN(C(=O)CNC(=O)c3ccccc3F)CC2)cc1 ZINC000024601430 570386954 /nfs/dbraw/zinc/38/69/54/570386954.db2.gz YXKCBRYQXFKYDB-UHFFFAOYSA-N 1 2 399.466 2.299 50 0 GEAALO COC(=O)c1ccc(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000026538500 570426508 /nfs/dbraw/zinc/42/65/08/570426508.db2.gz BBQOLLUXUGUECI-UHFFFAOYSA-N 1 2 382.416 2.160 50 0 GEAALO O=S1(=O)CC[C@H]([N@@H+](Cc2ccco2)C[C@H](O)COc2ccc(Cl)cc2)C1 ZINC000245229208 570434310 /nfs/dbraw/zinc/43/43/10/570434310.db2.gz QIRXQZKRLNYWBK-HOTGVXAUSA-N 1 2 399.896 2.362 50 0 GEAALO O=S1(=O)CC[C@H]([N@H+](Cc2ccco2)C[C@H](O)COc2ccc(Cl)cc2)C1 ZINC000245229208 570434313 /nfs/dbraw/zinc/43/43/13/570434313.db2.gz QIRXQZKRLNYWBK-HOTGVXAUSA-N 1 2 399.896 2.362 50 0 GEAALO COc1ccc(CCNC(=O)Cn2c3ccccc3[nH+]c2NC[C@H](C)O)cc1 ZINC000028914699 570466288 /nfs/dbraw/zinc/46/62/88/570466288.db2.gz BZWHADUUWKQXQS-HNNXBMFYSA-N 1 2 382.464 2.197 50 0 GEAALO Cc1cccn2cc(CN3C(=O)N[C@](C)(c4ccc5c(c4)OCO5)C3=O)[nH+]c12 ZINC000006590391 570487804 /nfs/dbraw/zinc/48/78/04/570487804.db2.gz SQRSSTZFWPZJAE-HXUWFJFHSA-N 1 2 378.388 2.339 50 0 GEAALO Cn1ncc2c1nc[nH+]c2SC[C@H]1CSc2nnc(-c3cccnc3)n21 ZINC000030572771 570491939 /nfs/dbraw/zinc/49/19/39/570491939.db2.gz GDOCFMWPBBCOIB-NSHDSACASA-N 1 2 382.478 2.456 50 0 GEAALO CCOc1ccccc1-c1noc(C[N@@H+]2CCCC[C@H]2CNS(C)(=O)=O)n1 ZINC000030589688 570492036 /nfs/dbraw/zinc/49/20/36/570492036.db2.gz DYALVYZLSICMNB-AWEZNQCLSA-N 1 2 394.497 2.039 50 0 GEAALO CCOc1ccccc1-c1noc(C[N@H+]2CCCC[C@H]2CNS(C)(=O)=O)n1 ZINC000030589688 570492040 /nfs/dbraw/zinc/49/20/40/570492040.db2.gz DYALVYZLSICMNB-AWEZNQCLSA-N 1 2 394.497 2.039 50 0 GEAALO Cc1cc(OCC(=O)NCCCn2cc[nH+]c2)c2c3c(c(=O)oc2c1)CCC3 ZINC000005207560 570506485 /nfs/dbraw/zinc/50/64/85/570506485.db2.gz TXBNQUHKFIKOGD-UHFFFAOYSA-N 1 2 381.432 2.372 50 0 GEAALO Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)NCC[NH+]3CCOCC3)c12 ZINC000071286737 570524356 /nfs/dbraw/zinc/52/43/56/570524356.db2.gz DYHUFKKXRZYPJW-UHFFFAOYSA-N 1 2 379.464 2.006 50 0 GEAALO CCC[NH+]1CCN(S(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(=O)C2CC2)CC1 ZINC000036147240 570549339 /nfs/dbraw/zinc/54/93/39/570549339.db2.gz SOBZPMMUWPIZLQ-HNNXBMFYSA-N 1 2 391.537 2.091 50 0 GEAALO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)CC(=O)Nc1c(F)cccc1F ZINC000032542054 570554590 /nfs/dbraw/zinc/55/45/90/570554590.db2.gz HKBDYAROZBKCHB-NSHDSACASA-N 1 2 383.420 2.244 50 0 GEAALO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)CC(=O)Nc1c(F)cccc1F ZINC000032542054 570554591 /nfs/dbraw/zinc/55/45/91/570554591.db2.gz HKBDYAROZBKCHB-NSHDSACASA-N 1 2 383.420 2.244 50 0 GEAALO O=S(=O)(c1ccc(-c2ccno2)s1)N1CCN(c2cccc[nH+]2)CC1 ZINC000035601041 570555968 /nfs/dbraw/zinc/55/59/68/570555968.db2.gz ZXYIEKKVLKHOKO-UHFFFAOYSA-N 1 2 376.463 2.309 50 0 GEAALO Cc1cc(C)cc(NC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)c1 ZINC000038528115 570579797 /nfs/dbraw/zinc/57/97/97/570579797.db2.gz TYANRJOPUFALEA-UHFFFAOYSA-N 1 2 396.495 2.284 50 0 GEAALO Cc1cc(C)cc(NC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)c1 ZINC000038528115 570579799 /nfs/dbraw/zinc/57/97/99/570579799.db2.gz TYANRJOPUFALEA-UHFFFAOYSA-N 1 2 396.495 2.284 50 0 GEAALO O=C(NC[C@H]1CCCO1)[C@@H](C1CCCC1)[NH+]1CCN(C(=O)C2CCCC2)CC1 ZINC000036253942 570588099 /nfs/dbraw/zinc/58/80/99/570588099.db2.gz WWEGUIFTNAPDQA-WOJBJXKFSA-N 1 2 391.556 2.175 50 0 GEAALO O=c1c2nnc3c(-c4ccc(F)cc4)cnn3c2ccn1CCc1c[nH+]c[nH]1 ZINC000040391505 570600352 /nfs/dbraw/zinc/60/03/52/570600352.db2.gz FMAQVXPOTPEINW-UHFFFAOYSA-N 1 2 375.367 2.211 50 0 GEAALO O=c1c2nnc3c(-c4ccc(F)cc4)cnn3c2ccn1CCc1c[nH]c[nH+]1 ZINC000040391505 570600353 /nfs/dbraw/zinc/60/03/53/570600353.db2.gz FMAQVXPOTPEINW-UHFFFAOYSA-N 1 2 375.367 2.211 50 0 GEAALO CNC(=O)c1ccc(C[N@@H+](Cc2ccco2)C[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000225718527 570608425 /nfs/dbraw/zinc/60/84/25/570608425.db2.gz YKRWNJUMCDBFGI-INIZCTEOSA-N 1 2 376.478 2.076 50 0 GEAALO CNC(=O)c1ccc(C[N@H+](Cc2ccco2)C[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000225718527 570608428 /nfs/dbraw/zinc/60/84/28/570608428.db2.gz YKRWNJUMCDBFGI-INIZCTEOSA-N 1 2 376.478 2.076 50 0 GEAALO Cc1c(C(=O)N2CCN(c3cccc[nH+]3)CC2)sc2nc3n(c(=O)c12)CCC3 ZINC000006841317 570643082 /nfs/dbraw/zinc/64/30/82/570643082.db2.gz WISZPASIFQLQEC-UHFFFAOYSA-N 1 2 395.488 2.070 50 0 GEAALO Cc1csc2nc(C[NH+](C)Cc3cc(=O)n4c(C)csc4n3)cc(=O)n12 ZINC000058173659 570715967 /nfs/dbraw/zinc/71/59/67/570715967.db2.gz UNURACHKUPDZDP-UHFFFAOYSA-N 1 2 387.490 2.074 50 0 GEAALO Cc1ccc(C[N@@H+]2CCNC(=O)[C@H]2CC(=O)NCc2ccc3cc[nH]c3c2)o1 ZINC000252479921 570728087 /nfs/dbraw/zinc/72/80/87/570728087.db2.gz BPYWWLXALCQGJA-LJQANCHMSA-N 1 2 380.448 2.076 50 0 GEAALO Cc1ccc(C[N@H+]2CCNC(=O)[C@H]2CC(=O)NCc2ccc3cc[nH]c3c2)o1 ZINC000252479921 570728091 /nfs/dbraw/zinc/72/80/91/570728091.db2.gz BPYWWLXALCQGJA-LJQANCHMSA-N 1 2 380.448 2.076 50 0 GEAALO COc1cccc(-c2cc(CNC(=O)c3cc4n(n3)CCC[N@H+](C)C4)on2)c1 ZINC000065388242 570764484 /nfs/dbraw/zinc/76/44/84/570764484.db2.gz NNFPGLBUKFGZCX-UHFFFAOYSA-N 1 2 381.436 2.312 50 0 GEAALO COc1cccc(-c2cc(CNC(=O)c3cc4n(n3)CCC[N@@H+](C)C4)on2)c1 ZINC000065388242 570764487 /nfs/dbraw/zinc/76/44/87/570764487.db2.gz NNFPGLBUKFGZCX-UHFFFAOYSA-N 1 2 381.436 2.312 50 0 GEAALO CCOC(=O)C1CC[NH+]([C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)CC1 ZINC000007224867 570817863 /nfs/dbraw/zinc/81/78/63/570817863.db2.gz QCSPQHKZFRKNKX-MRXNPFEDSA-N 1 2 389.496 2.125 50 0 GEAALO Cn1ccnc1[C@H](NC(=O)NCC(C)(C)[NH+]1CCOCC1)c1ccccc1F ZINC000032809093 570823514 /nfs/dbraw/zinc/82/35/14/570823514.db2.gz LUGNFONQBVJYPT-QGZVFWFLSA-N 1 2 389.475 2.059 50 0 GEAALO CCn1nc(C(=O)NCc2ccc(OC)cc2)c2c1CCN(Cc1[nH]cc[nH+]1)C2 ZINC000014537808 570848520 /nfs/dbraw/zinc/84/85/20/570848520.db2.gz HVLWQCPULCFERU-UHFFFAOYSA-N 1 2 394.479 2.123 50 0 GEAALO Cc1cccc(C(=O)N[C@H](C(=O)N2CC[NH+](Cc3ccccn3)CC2)C(C)C)c1 ZINC000033237069 570855371 /nfs/dbraw/zinc/85/53/71/570855371.db2.gz VTBAIVZYEIJFDT-NRFANRHFSA-N 1 2 394.519 2.489 50 0 GEAALO CN(Cc1cnn(C)c1)C(=O)C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000051226383 570885215 /nfs/dbraw/zinc/88/52/15/570885215.db2.gz SKTOFSYRNZZHNR-UHFFFAOYSA-N 1 2 395.429 2.220 50 0 GEAALO COc1ccc(Cn2nc(C)cc2NC(=O)NCc2[nH+]ccn2C)cc1OC ZINC000299756500 570891830 /nfs/dbraw/zinc/89/18/30/570891830.db2.gz DDWAJCFYERDFFW-UHFFFAOYSA-N 1 2 384.440 2.312 50 0 GEAALO CS(=O)(=O)Nc1cccc(NC(=O)N2CCC[C@H](Cn3cc[nH+]c3)C2)c1 ZINC000299767811 570893282 /nfs/dbraw/zinc/89/32/82/570893282.db2.gz VASYTKNSTSCOTK-CQSZACIVSA-N 1 2 377.470 2.199 50 0 GEAALO CCNC(=O)C[NH+]1CCN([C@@H](C)c2nnn(-c3cccc(Cl)c3)c2C)CC1 ZINC000097102053 570894691 /nfs/dbraw/zinc/89/46/91/570894691.db2.gz TWGGXQCYZLPXPO-AWEZNQCLSA-N 1 2 390.919 2.044 50 0 GEAALO Cc1ccc(C2(O)CCN(C(=O)C[N@@H+]3CCOc4ccccc4C3)CC2)nc1 ZINC000299773097 570894772 /nfs/dbraw/zinc/89/47/72/570894772.db2.gz AJMGHBQFOHJCSU-UHFFFAOYSA-N 1 2 381.476 2.095 50 0 GEAALO Cc1ccc(C2(O)CCN(C(=O)C[N@H+]3CCOc4ccccc4C3)CC2)nc1 ZINC000299773097 570894776 /nfs/dbraw/zinc/89/47/76/570894776.db2.gz AJMGHBQFOHJCSU-UHFFFAOYSA-N 1 2 381.476 2.095 50 0 GEAALO CCc1ccccc1NC(=O)CN1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1 ZINC000096905150 570901708 /nfs/dbraw/zinc/90/17/08/570901708.db2.gz BHOHXAUCOFKHNN-GOSISDBHSA-N 1 2 386.540 2.206 50 0 GEAALO CNC(=O)[C@H](NC(=O)C[NH+]1CCC(=Cc2cc(C)on2)CC1)c1ccccc1 ZINC000089600995 570907357 /nfs/dbraw/zinc/90/73/57/570907357.db2.gz XNCIHJLMEMOSOB-HXUWFJFHSA-N 1 2 382.464 2.066 50 0 GEAALO CCN1CC[NH+](C(C)(C)CNC(=O)N(C)Cc2noc3c2CCCC3)CC1 ZINC000534634844 570911402 /nfs/dbraw/zinc/91/14/02/570911402.db2.gz OJKMXGZTNKVOJD-UHFFFAOYSA-N 1 2 377.533 2.111 50 0 GEAALO CC(C)[C@@H](NC(=O)c1ccc(-c2cncc(C(N)=O)n2)cc1)c1[nH+]ccn1C ZINC000534655045 570915187 /nfs/dbraw/zinc/91/51/87/570915187.db2.gz DOYQPYYMWUXOJZ-QGZVFWFLSA-N 1 2 378.436 2.103 50 0 GEAALO CC(=O)c1c(-c2ccc(C(=O)NCC(C)(C)[NH+]3CCOCC3)cc2)cnn1C ZINC000534656669 570915843 /nfs/dbraw/zinc/91/58/43/570915843.db2.gz VSQOZVTUZKPHCU-UHFFFAOYSA-N 1 2 384.480 2.130 50 0 GEAALO O=C(COc1coc(C[N@@H+]2CCc3ccccc3C2)cc1=O)NCc1ccco1 ZINC000004583885 570915919 /nfs/dbraw/zinc/91/59/19/570915919.db2.gz SXNWVTDBPWVLSB-UHFFFAOYSA-N 1 2 394.427 2.486 50 0 GEAALO O=C(COc1coc(C[N@H+]2CCc3ccccc3C2)cc1=O)NCc1ccco1 ZINC000004583885 570915923 /nfs/dbraw/zinc/91/59/23/570915923.db2.gz SXNWVTDBPWVLSB-UHFFFAOYSA-N 1 2 394.427 2.486 50 0 GEAALO Cc1[nH+]c[nH]c1CSCCNC(=O)N(C)C[C@H]1COc2ccccc2O1 ZINC000534666167 570919514 /nfs/dbraw/zinc/91/95/14/570919514.db2.gz WXRJGPNPYHRXKW-AWEZNQCLSA-N 1 2 376.482 2.433 50 0 GEAALO CCN(CC)c1ccc(CNS(=O)(=O)c2ccc(CNC(C)=O)s2)c[nH+]1 ZINC000032932943 570946023 /nfs/dbraw/zinc/94/60/23/570946023.db2.gz SCOGWYGJBQAVMY-UHFFFAOYSA-N 1 2 396.538 2.104 50 0 GEAALO CCn1cnnc1-c1ccc(C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)cc1 ZINC000083843672 570968226 /nfs/dbraw/zinc/96/82/26/570968226.db2.gz BUPMLARLLFPFIE-UHFFFAOYSA-N 1 2 392.463 2.127 50 0 GEAALO COc1ccccc1/C=C\C(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000107124389 570971099 /nfs/dbraw/zinc/97/10/99/570971099.db2.gz XDTCHYYIXIOVML-ZCPJJFRWSA-N 1 2 396.487 2.293 50 0 GEAALO O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)NCc1ccccc1Cl ZINC000044894115 570981520 /nfs/dbraw/zinc/98/15/20/570981520.db2.gz CPPKPLHSSAROTH-UHFFFAOYSA-N 1 2 386.883 2.480 50 0 GEAALO NC(=O)c1c(NC(=O)C2=COCCO2)sc2c1CC[N@H+](Cc1ccccc1)C2 ZINC000023230152 570989506 /nfs/dbraw/zinc/98/95/06/570989506.db2.gz UTQSSOZLZVYNFG-UHFFFAOYSA-N 1 2 399.472 2.232 50 0 GEAALO NC(=O)c1c(NC(=O)C2=COCCO2)sc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000023230152 570989509 /nfs/dbraw/zinc/98/95/09/570989509.db2.gz UTQSSOZLZVYNFG-UHFFFAOYSA-N 1 2 399.472 2.232 50 0 GEAALO COCc1noc(C[N@@H+]2CCC[C@@]3(CCC(=O)N(Cc4ccccn4)C3)C2)n1 ZINC000091452756 571009159 /nfs/dbraw/zinc/00/91/59/571009159.db2.gz ZPQNYZXMHZIBDT-HXUWFJFHSA-N 1 2 385.468 2.016 50 0 GEAALO COCc1noc(C[N@H+]2CCC[C@@]3(CCC(=O)N(Cc4ccccn4)C3)C2)n1 ZINC000091452756 571009163 /nfs/dbraw/zinc/00/91/63/571009163.db2.gz ZPQNYZXMHZIBDT-HXUWFJFHSA-N 1 2 385.468 2.016 50 0 GEAALO O=C(Cn1cc[nH+]c1-c1ccccc1)N1CCNC(=O)[C@H]1c1cccc(F)c1 ZINC000091468548 571009982 /nfs/dbraw/zinc/00/99/82/571009982.db2.gz LCICRZUOPLAVKA-LJQANCHMSA-N 1 2 378.407 2.389 50 0 GEAALO Cc1ccc(C(=O)N2CCC3(CCC(=O)N(CCc4c[nH+]c[nH]4)C3)CC2)cn1 ZINC000091625498 571019700 /nfs/dbraw/zinc/01/97/00/571019700.db2.gz WDKPSLMMWCCVEQ-UHFFFAOYSA-N 1 2 381.480 2.201 50 0 GEAALO Cc1ccc(C(=O)N2CCC3(CCC(=O)N(CCc4c[nH]c[nH+]4)C3)CC2)cn1 ZINC000091625498 571019703 /nfs/dbraw/zinc/01/97/03/571019703.db2.gz WDKPSLMMWCCVEQ-UHFFFAOYSA-N 1 2 381.480 2.201 50 0 GEAALO O=C(C[N@@H+]1CCCN(C(=O)c2ccncc2)CC1)N(Cc1ccccc1)C1CC1 ZINC000084535566 571021763 /nfs/dbraw/zinc/02/17/63/571021763.db2.gz HMNAKHZOXJVIIA-UHFFFAOYSA-N 1 2 392.503 2.421 50 0 GEAALO O=C(C[N@H+]1CCCN(C(=O)c2ccncc2)CC1)N(Cc1ccccc1)C1CC1 ZINC000084535566 571021767 /nfs/dbraw/zinc/02/17/67/571021767.db2.gz HMNAKHZOXJVIIA-UHFFFAOYSA-N 1 2 392.503 2.421 50 0 GEAALO COc1ccc2[nH]c(CCNC(=O)c3cc(C(C)C)n4ncnc4n3)[nH+]c2c1 ZINC000091713800 571027208 /nfs/dbraw/zinc/02/72/08/571027208.db2.gz XBDDBTHXTQEMBZ-UHFFFAOYSA-N 1 2 379.424 2.105 50 0 GEAALO Cc1ocnc1C(=O)N1CCC2(CC1)c1[nH+]c[nH]c1CCN2C(=O)C1CCC1 ZINC000091745456 571028447 /nfs/dbraw/zinc/02/84/47/571028447.db2.gz HHQKMGBMZHABLN-UHFFFAOYSA-N 1 2 383.452 2.022 50 0 GEAALO CCN(Cc1[nH+]ccn1C)C(=O)c1coc(COc2ccc3c(c2)OCO3)n1 ZINC000091965332 571037962 /nfs/dbraw/zinc/03/79/62/571037962.db2.gz GHEFKQDBQNRCDA-UHFFFAOYSA-N 1 2 384.392 2.378 50 0 GEAALO Cc1cc(C(=O)N2CCC3(CC2)c2[nH+]c[nH]c2CCN3C(=O)C2CCC2)no1 ZINC000091974046 571038543 /nfs/dbraw/zinc/03/85/43/571038543.db2.gz MMHCLWNHRMTLBN-UHFFFAOYSA-N 1 2 383.452 2.022 50 0 GEAALO Cn1c(Cn2cc[nH+]c2)nnc1[C@H]1CCCN(C(=O)CCc2ccccc2)C1 ZINC000095373227 571062451 /nfs/dbraw/zinc/06/24/51/571062451.db2.gz IAVKQANHOQETNW-SFHVURJKSA-N 1 2 378.480 2.399 50 0 GEAALO Cc1c(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](Cc2cscn2)C3)cnc2ccnn21 ZINC000095376609 571064742 /nfs/dbraw/zinc/06/47/42/571064742.db2.gz LHRNUXJETGAQTR-GOEBONIOSA-N 1 2 382.493 2.231 50 0 GEAALO Cc1c(C(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](Cc2cscn2)C3)cnc2ccnn21 ZINC000095376609 571064744 /nfs/dbraw/zinc/06/47/44/571064744.db2.gz LHRNUXJETGAQTR-GOEBONIOSA-N 1 2 382.493 2.231 50 0 GEAALO Cn1c(Cn2cc[nH+]c2)nnc1[C@@H]1CCCN(C(=O)NCc2ccccc2)C1 ZINC000095385965 571069936 /nfs/dbraw/zinc/06/99/36/571069936.db2.gz FISVAPWHJVEDSK-QGZVFWFLSA-N 1 2 379.468 2.149 50 0 GEAALO CC(C)C[N@@H+]1CCn2nc(CNC(=O)CCc3n[nH]c4c3CCCC4)cc2C1 ZINC000095391019 571072532 /nfs/dbraw/zinc/07/25/32/571072532.db2.gz LFDWLDMOLUIPAH-UHFFFAOYSA-N 1 2 384.528 2.206 50 0 GEAALO CC(C)C[N@H+]1CCn2nc(CNC(=O)CCc3n[nH]c4c3CCCC4)cc2C1 ZINC000095391019 571072536 /nfs/dbraw/zinc/07/25/36/571072536.db2.gz LFDWLDMOLUIPAH-UHFFFAOYSA-N 1 2 384.528 2.206 50 0 GEAALO C[NH+]1CCN(C(=O)c2cc(NC(=O)c3ccc(Br)o3)ccn2)CC1 ZINC000095463349 643088682 /nfs/dbraw/zinc/08/86/82/643088682.db2.gz FMRYRRJAQFCWCP-UHFFFAOYSA-N 1 2 393.241 2.077 50 0 GEAALO CCn1ncc(C[NH2+]Cc2ccc(Br)cc2N2CCOCC2)n1 ZINC000838981386 653638743 /nfs/dbraw/zinc/63/87/43/653638743.db2.gz PRLRMNHLZXFYGQ-UHFFFAOYSA-N 1 2 380.290 2.187 50 0 GEAALO Cc1cc2[nH+]cn(CC(=O)N(CC(C)C)[C@@H]3CCS(=O)(=O)C3)c2cc1C ZINC000035870801 230923642 /nfs/dbraw/zinc/92/36/42/230923642.db2.gz LZDSPHJLQYOBKS-MRXNPFEDSA-N 1 2 377.510 2.325 50 0 GEAALO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NCc2ccnc(N(C)C)n2)C[C@@H](C)O1 ZINC000095463355 230993650 /nfs/dbraw/zinc/99/36/50/230993650.db2.gz BOFPCXUGQFDABE-HZPDHXFCSA-N 1 2 398.511 2.474 50 0 GEAALO Cn1cc[nH+]c1CN1CCN(C(=O)NCc2cc(-c3ccccc3)no2)CC1 ZINC000426422765 231219369 /nfs/dbraw/zinc/21/93/69/231219369.db2.gz FFQZHFMXTYSVLL-UHFFFAOYSA-N 1 2 380.452 2.103 50 0 GEAALO Cc1nc(C)c(CNC(=O)C[C@@H]2C(=O)NCC[N@H+]2Cc2ccccc2C)s1 ZINC000426726949 231255969 /nfs/dbraw/zinc/25/59/69/231255969.db2.gz VFXDSGUFERZAFO-QGZVFWFLSA-N 1 2 386.521 2.075 50 0 GEAALO Cc1nc(C)c(CNC(=O)C[C@@H]2C(=O)NCC[N@@H+]2Cc2ccccc2C)s1 ZINC000426726949 231255971 /nfs/dbraw/zinc/25/59/71/231255971.db2.gz VFXDSGUFERZAFO-QGZVFWFLSA-N 1 2 386.521 2.075 50 0 GEAALO CCc1ccc(C[N@@H+]2CCc3c(C(=O)N(C)[C@H](C)C(N)=O)csc3C2)nc1 ZINC000426538288 529642570 /nfs/dbraw/zinc/64/25/70/529642570.db2.gz DNVJAJFEGHMEHU-CYBMUJFWSA-N 1 2 386.521 2.210 50 0 GEAALO CCc1ccc(C[N@H+]2CCc3c(C(=O)N(C)[C@H](C)C(N)=O)csc3C2)nc1 ZINC000426538288 529642571 /nfs/dbraw/zinc/64/25/71/529642571.db2.gz DNVJAJFEGHMEHU-CYBMUJFWSA-N 1 2 386.521 2.210 50 0 GEAALO CC(=O)Nc1ccc(S(=O)(=O)N2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000019888761 531580910 /nfs/dbraw/zinc/58/09/10/531580910.db2.gz AMJCKUSZFZKGEU-UHFFFAOYSA-N 1 2 379.507 2.213 50 0 GEAALO CCNS(=O)(=O)[C@@H]1CC[N@H+](Cc2nc3ccc(Br)cc3o2)C1 ZINC000241630905 532519262 /nfs/dbraw/zinc/51/92/62/532519262.db2.gz PMIGKMKYBWVZOH-LLVKDONJSA-N 1 2 388.287 2.104 50 0 GEAALO CCNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2nc3ccc(Br)cc3o2)C1 ZINC000241630905 532519263 /nfs/dbraw/zinc/51/92/63/532519263.db2.gz PMIGKMKYBWVZOH-LLVKDONJSA-N 1 2 388.287 2.104 50 0 GEAALO NC(=O)C1CC[NH+](Cc2nc3ccccc3c(=O)n2-c2ccc(F)cc2)CC1 ZINC000000644226 212167916 /nfs/dbraw/zinc/16/79/16/212167916.db2.gz BBWPYTYDBKJTEZ-UHFFFAOYSA-N 1 2 380.423 2.222 50 0 GEAALO Cc1csc(-n2nc(C(=O)NCC[NH+]3CCOCC3)cc2-c2ccccc2)n1 ZINC000033435901 212111913 /nfs/dbraw/zinc/11/19/13/212111913.db2.gz LLDZRENABDEZSS-UHFFFAOYSA-N 1 2 397.504 2.366 50 0 GEAALO COc1cccc(C[N@H+](C)[C@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1OC ZINC000008533821 221043409 /nfs/dbraw/zinc/04/34/09/221043409.db2.gz DGEKODHFRPEARL-GFCCVEGCSA-N 1 2 384.436 2.332 50 0 GEAALO COc1cccc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1OC ZINC000008533821 221043411 /nfs/dbraw/zinc/04/34/11/221043411.db2.gz DGEKODHFRPEARL-GFCCVEGCSA-N 1 2 384.436 2.332 50 0 GEAALO COc1cc(CNC(=O)C[N@@H+]2CCc3sccc3C2)cc(OC)c1OC ZINC000008727408 221052397 /nfs/dbraw/zinc/05/23/97/221052397.db2.gz FURQEGWJZQRGBS-UHFFFAOYSA-N 1 2 376.478 2.448 50 0 GEAALO COc1cc(CNC(=O)C[N@H+]2CCc3sccc3C2)cc(OC)c1OC ZINC000008727408 221052400 /nfs/dbraw/zinc/05/24/00/221052400.db2.gz FURQEGWJZQRGBS-UHFFFAOYSA-N 1 2 376.478 2.448 50 0 GEAALO COc1ccc([C@H](NC(=O)[C@@H]2COc3ccccc3O2)c2[nH+]ccn2C)cc1 ZINC000009154355 221072095 /nfs/dbraw/zinc/07/20/95/221072095.db2.gz GLTPHHDYAIAIIZ-OALUTQOASA-N 1 2 379.416 2.474 50 0 GEAALO Cc1cc(N)nc(S[C@H](C)C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)[nH+]1 ZINC000009337827 221077930 /nfs/dbraw/zinc/07/79/30/221077930.db2.gz MAIGVMXUFOMXIX-MRVPVSSYSA-N 1 2 399.398 2.020 50 0 GEAALO C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[NH+]1CCC(NS(C)(=O)=O)CC1 ZINC000011717562 221123553 /nfs/dbraw/zinc/12/35/53/221123553.db2.gz JPXMPSXNTNYKPN-NSHDSACASA-N 1 2 393.431 2.046 50 0 GEAALO CN1N=C(C(=O)Nc2nc3c(s2)C[N@H+](Cc2ccccc2)CC3)CCC1=O ZINC000011767760 221124162 /nfs/dbraw/zinc/12/41/62/221124162.db2.gz SLTOYCHBMFOFFO-UHFFFAOYSA-N 1 2 383.477 2.248 50 0 GEAALO CN1N=C(C(=O)Nc2nc3c(s2)C[N@@H+](Cc2ccccc2)CC3)CCC1=O ZINC000011767760 221124166 /nfs/dbraw/zinc/12/41/66/221124166.db2.gz SLTOYCHBMFOFFO-UHFFFAOYSA-N 1 2 383.477 2.248 50 0 GEAALO CCN1C[C@@H](CN(C)C(=O)c2cc(Cn3c(C)[nH+]c4ccccc43)n[nH]2)CC1=O ZINC000011936127 221138475 /nfs/dbraw/zinc/13/84/75/221138475.db2.gz PRPFMZMHFCGUKG-OAHLLOKOSA-N 1 2 394.479 2.057 50 0 GEAALO CSc1ccc(C(=O)NCc2ccc[nH+]c2N2CCN(C(C)=O)CC2)cc1 ZINC000012050210 221144689 /nfs/dbraw/zinc/14/46/89/221144689.db2.gz HDHGHYSYPBPVII-UHFFFAOYSA-N 1 2 384.505 2.402 50 0 GEAALO Cc1ccccc1C[N@@H+]1CCNC(=O)[C@@H]1CC(=O)N(C)Cc1ccncc1C ZINC000012308480 221179797 /nfs/dbraw/zinc/17/97/97/221179797.db2.gz VHMFSUBQEQTOIY-FQEVSTJZSA-N 1 2 380.492 2.048 50 0 GEAALO Cc1ccccc1C[N@H+]1CCNC(=O)[C@@H]1CC(=O)N(C)Cc1ccncc1C ZINC000012308480 221179798 /nfs/dbraw/zinc/17/97/98/221179798.db2.gz VHMFSUBQEQTOIY-FQEVSTJZSA-N 1 2 380.492 2.048 50 0 GEAALO CC[C@H]1C[N@H+](CC(=O)N2CCC(C(=O)OC)CC2)Cc2cc(OC)ccc2O1 ZINC000012326460 221182831 /nfs/dbraw/zinc/18/28/31/221182831.db2.gz APJUFTMHAYCKHT-KRWDZBQOSA-N 1 2 390.480 2.080 50 0 GEAALO CC[C@H]1C[N@@H+](CC(=O)N2CCC(C(=O)OC)CC2)Cc2cc(OC)ccc2O1 ZINC000012326460 221182833 /nfs/dbraw/zinc/18/28/33/221182833.db2.gz APJUFTMHAYCKHT-KRWDZBQOSA-N 1 2 390.480 2.080 50 0 GEAALO Cc1ccccc1C[N@@H+]1CCNC(=O)[C@@H]1CC(=O)NCc1ccc(F)cc1F ZINC000012570802 221208752 /nfs/dbraw/zinc/20/87/52/221208752.db2.gz HKALCILHYUTGHY-IBGZPJMESA-N 1 2 387.430 2.280 50 0 GEAALO Cc1ccccc1C[N@H+]1CCNC(=O)[C@@H]1CC(=O)NCc1ccc(F)cc1F ZINC000012570802 221208756 /nfs/dbraw/zinc/20/87/56/221208756.db2.gz HKALCILHYUTGHY-IBGZPJMESA-N 1 2 387.430 2.280 50 0 GEAALO Cc1nc(N2CC[NH+](CCO)CC2)nc2c1C(=O)C[C@@H](/C=C/c1ccccc1)C2 ZINC000012653542 221216830 /nfs/dbraw/zinc/21/68/30/221216830.db2.gz POQPVZSHNDADAZ-UCFODXPJSA-N 1 2 392.503 2.358 50 0 GEAALO COc1cc2c(cc1OC)-c1cc(NCCCn3cc[nH+]c3)nc(=O)n1CC2 ZINC000012663441 221218268 /nfs/dbraw/zinc/21/82/68/221218268.db2.gz UQJSNWNNKNMUPF-UHFFFAOYSA-N 1 2 381.436 2.182 50 0 GEAALO CC(C)OCCCNC(=O)C[C@H]1C(=O)NCC[N@H+]1Cc1ccc2ccccc2c1 ZINC000012718052 221221372 /nfs/dbraw/zinc/22/13/72/221221372.db2.gz WEMUZWQBGFNHRV-NRFANRHFSA-N 1 2 397.519 2.462 50 0 GEAALO CC(C)OCCCNC(=O)C[C@H]1C(=O)NCC[N@@H+]1Cc1ccc2ccccc2c1 ZINC000012718052 221221374 /nfs/dbraw/zinc/22/13/74/221221374.db2.gz WEMUZWQBGFNHRV-NRFANRHFSA-N 1 2 397.519 2.462 50 0 GEAALO O=C(c1cn(Cc2ccccc2F)nn1)N1CCC[N@H+](Cc2ccccn2)CC1 ZINC000014980947 221323434 /nfs/dbraw/zinc/32/34/34/221323434.db2.gz OZAOQJUYLDMIFU-UHFFFAOYSA-N 1 2 394.454 2.209 50 0 GEAALO O=C(c1cn(Cc2ccccc2F)nn1)N1CCC[N@@H+](Cc2ccccn2)CC1 ZINC000014980947 221323436 /nfs/dbraw/zinc/32/34/36/221323436.db2.gz OZAOQJUYLDMIFU-UHFFFAOYSA-N 1 2 394.454 2.209 50 0 GEAALO Cc1ccc(-c2ccnc(-n3ncc(C(=O)N4CC[NH+](C)CC4)c3C3CC3)n2)o1 ZINC000014959970 221319953 /nfs/dbraw/zinc/31/99/53/221319953.db2.gz FILMQMIQDZKFGC-UHFFFAOYSA-N 1 2 392.463 2.496 50 0 GEAALO Cc1ccc(C[N@@H+]2CCNC(=O)[C@H]2CC(=O)N(C)CCOc2ccc(C)cc2)o1 ZINC000014960291 221320870 /nfs/dbraw/zinc/32/08/70/221320870.db2.gz IPRLEGHRZVCELZ-HXUWFJFHSA-N 1 2 399.491 2.124 50 0 GEAALO Cc1ccc(C[N@H+]2CCNC(=O)[C@H]2CC(=O)N(C)CCOc2ccc(C)cc2)o1 ZINC000014960291 221320872 /nfs/dbraw/zinc/32/08/72/221320872.db2.gz IPRLEGHRZVCELZ-HXUWFJFHSA-N 1 2 399.491 2.124 50 0 GEAALO NS(=O)(=O)c1ccc(C[NH2+][C@@H](C(=O)N2CCCCC2)c2ccccc2)s1 ZINC000015509940 221335809 /nfs/dbraw/zinc/33/58/09/221335809.db2.gz NWOGTWABXLQAIJ-QGZVFWFLSA-N 1 2 393.534 2.239 50 0 GEAALO O=C(NCC[NH+]1CCN(c2ccccc2F)CC1)N[C@@H]1COc2ccccc2C1 ZINC000015787284 221345958 /nfs/dbraw/zinc/34/59/58/221345958.db2.gz PFMQISLAPNXWIZ-SFHVURJKSA-N 1 2 398.482 2.251 50 0 GEAALO COc1ccc(C(=O)N2CCC[C@@H](c3nnc(C[NH+]4CCCCC4)n3C)C2)o1 ZINC000426479614 533295977 /nfs/dbraw/zinc/29/59/77/533295977.db2.gz BKDGRKILKKHSTO-OAHLLOKOSA-N 1 2 387.484 2.422 50 0 GEAALO O=C(NCc1ccc[nH+]c1N1CCOCC1)Nc1cccnc1N1CCCC1 ZINC000040121051 132397669 /nfs/dbraw/zinc/39/76/69/132397669.db2.gz UJUICSVUFVBCQD-UHFFFAOYSA-N 1 2 382.468 2.235 50 0 GEAALO O=C(NCC[NH+]1CCN(c2nccc(C(F)(F)F)n2)CC1)c1ccccc1 ZINC000071647675 136165698 /nfs/dbraw/zinc/16/56/98/136165698.db2.gz JOZHIGROZTWPPN-UHFFFAOYSA-N 1 2 379.386 2.047 50 0 GEAALO O=C(c1ncccc1O)N1CCC[C@H]([NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000072159156 136167246 /nfs/dbraw/zinc/16/72/46/136167246.db2.gz ODDBTPHOJWKXRO-SFHVURJKSA-N 1 2 384.455 2.353 50 0 GEAALO COCc1ncc(C[NH+]2CCN(c3nc(C)cc(C(F)(F)F)n3)CC2)cn1 ZINC000072425944 136170031 /nfs/dbraw/zinc/17/00/31/136170031.db2.gz IGKUBBDWVXWDLK-UHFFFAOYSA-N 1 2 382.390 2.062 50 0 GEAALO O=C(COc1ccccc1)Nc1cnc(N2CCN(c3cccc[nH+]3)CC2)nc1 ZINC000077196639 136171819 /nfs/dbraw/zinc/17/18/19/136171819.db2.gz OTHBKAFBSBPCTD-UHFFFAOYSA-N 1 2 390.447 2.216 50 0 GEAALO Cc1cccc(N2CC[NH+](CC(=O)N3CCC(c4nccn4C)CC3)CC2)c1 ZINC000095513347 136180632 /nfs/dbraw/zinc/18/06/32/136180632.db2.gz JKIYITLXLVUJEE-UHFFFAOYSA-N 1 2 381.524 2.257 50 0 GEAALO Cc1cc(N2CCN(Cc3nc4ccccc4c(=O)[nH]3)CC2)nc(C(C)C)[nH+]1 ZINC000008307552 136195529 /nfs/dbraw/zinc/19/55/29/136195529.db2.gz ZDICZMUKXXKPJX-UHFFFAOYSA-N 1 2 378.480 2.467 50 0 GEAALO O=C(NCC[NH+]1CCN(c2ccccc2)CC1)c1n[nH]nc1-c1ccc(F)cc1 ZINC000206652124 136199314 /nfs/dbraw/zinc/19/93/14/136199314.db2.gz ZBUSTPXGOSKHPU-UHFFFAOYSA-N 1 2 394.454 2.163 50 0 GEAALO CC(C)(C)c1ccc(C(=O)NCCC(=O)NCC(C)(C)[NH+]2CCOCC2)cc1 ZINC000036622283 221862168 /nfs/dbraw/zinc/86/21/68/221862168.db2.gz WQXXNTDBOKMVFP-UHFFFAOYSA-N 1 2 389.540 2.331 50 0 GEAALO C[C@H](CS(=O)(=O)c1nc2ccccc2s1)[NH+]1CCC2(CC1)OCCO2 ZINC000057258220 222030183 /nfs/dbraw/zinc/03/01/83/222030183.db2.gz VETQFLSGYICEBR-CYBMUJFWSA-N 1 2 382.507 2.297 50 0 GEAALO CCc1ccc([C@@H]2NC(=O)N=C(C[NH+]3CCSCC3)C2C(=O)OC)cc1 ZINC000057415195 222031355 /nfs/dbraw/zinc/03/13/55/222031355.db2.gz PNBOLHDALQFDDS-KRWDZBQOSA-N 1 2 375.494 2.079 50 0 GEAALO CC1CCC2(CC1)NC(=O)N(NC(=O)C[N@H+]1CC=C(c3ccccc3)CC1)C2=O ZINC000057388052 222031624 /nfs/dbraw/zinc/03/16/24/222031624.db2.gz WQLPRLGYDNTZHR-UHFFFAOYSA-N 1 2 396.491 2.308 50 0 GEAALO CC1CCC2(CC1)NC(=O)N(NC(=O)C[N@@H+]1CC=C(c3ccccc3)CC1)C2=O ZINC000057388052 222031627 /nfs/dbraw/zinc/03/16/27/222031627.db2.gz WQLPRLGYDNTZHR-UHFFFAOYSA-N 1 2 396.491 2.308 50 0 GEAALO O=C(/C=C/c1ccc2c(c1)OCO2)N1CC[NH+](C[C@@H](O)c2cccs2)CC1 ZINC000049031307 221995530 /nfs/dbraw/zinc/99/55/30/221995530.db2.gz AVPZHJGKGRNSEM-MQDFFIGUSA-N 1 2 386.473 2.368 50 0 GEAALO Cc1nn(Cc2ccccc2)c(Cl)c1C[NH+]1CCC(NS(C)(=O)=O)CC1 ZINC000051472749 222006699 /nfs/dbraw/zinc/00/66/99/222006699.db2.gz PBWVLVXMUYGLSO-UHFFFAOYSA-N 1 2 396.944 2.407 50 0 GEAALO CCOC(=O)N1CC[NH+]([C@H]2CCCN(C(=O)c3cccc(N(C)C)c3)C2)CC1 ZINC000055575605 222021821 /nfs/dbraw/zinc/02/18/21/222021821.db2.gz ZEBLHEUSESTYLX-IBGZPJMESA-N 1 2 388.512 2.131 50 0 GEAALO CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc3[nH]c(C4CCC4)[nH+]c3c2)C1 ZINC000058208477 222045824 /nfs/dbraw/zinc/04/58/24/222045824.db2.gz VVLSMPVPGPJKNL-CYBMUJFWSA-N 1 2 376.482 2.441 50 0 GEAALO COc1cc2c(cc1OC)C[N@H+](CCS(=O)(=O)Oc1ccccc1)CC2 ZINC000058754792 222056339 /nfs/dbraw/zinc/05/63/39/222056339.db2.gz XBOOHYOCGPFGJJ-UHFFFAOYSA-N 1 2 377.462 2.471 50 0 GEAALO COc1cc2c(cc1OC)C[N@@H+](CCS(=O)(=O)Oc1ccccc1)CC2 ZINC000058754792 222056342 /nfs/dbraw/zinc/05/63/42/222056342.db2.gz XBOOHYOCGPFGJJ-UHFFFAOYSA-N 1 2 377.462 2.471 50 0 GEAALO O=C(Nc1ccc(F)cc1F)c1ccc2c(c1)nnn2CC[NH+]1CCOCC1 ZINC000065255168 222117053 /nfs/dbraw/zinc/11/70/53/222117053.db2.gz HWTQUGDPXVFVIG-UHFFFAOYSA-N 1 2 387.390 2.294 50 0 GEAALO CC(C)Cc1noc([C@@H]2CCCN(C(=O)c3cc4n(n3)CCC[N@H+](C)C4)C2)n1 ZINC000065424918 222130208 /nfs/dbraw/zinc/13/02/08/222130208.db2.gz GTTNUADSMQNPSE-OAHLLOKOSA-N 1 2 386.500 2.320 50 0 GEAALO CC(C)Cc1noc([C@@H]2CCCN(C(=O)c3cc4n(n3)CCC[N@@H+](C)C4)C2)n1 ZINC000065424918 222130213 /nfs/dbraw/zinc/13/02/13/222130213.db2.gz GTTNUADSMQNPSE-OAHLLOKOSA-N 1 2 386.500 2.320 50 0 GEAALO CCS(=O)(=O)N(C)C1CC[NH+](Cn2ccc(-c3ccc(F)cc3)n2)CC1 ZINC000066859115 222139924 /nfs/dbraw/zinc/13/99/24/222139924.db2.gz ZHVOGLCMWUOGGI-UHFFFAOYSA-N 1 2 380.489 2.393 50 0 GEAALO COc1ccc(F)c(CN2CCC[C@@](O)(C[N@@H+]3CCCC(F)(F)C3)C2=O)c1 ZINC000067713230 222155720 /nfs/dbraw/zinc/15/57/20/222155720.db2.gz UQRBJVYOBWNONW-GOSISDBHSA-N 1 2 386.414 2.419 50 0 GEAALO COc1ccc(F)c(CN2CCC[C@@](O)(C[N@H+]3CCCC(F)(F)C3)C2=O)c1 ZINC000067713230 222155722 /nfs/dbraw/zinc/15/57/22/222155722.db2.gz UQRBJVYOBWNONW-GOSISDBHSA-N 1 2 386.414 2.419 50 0 GEAALO COc1ccc(Cn2ncc3c2NC(=O)C[C@@H]3c2[nH]c[nH+]c2C)c(OC)c1OC ZINC000067755330 222157401 /nfs/dbraw/zinc/15/74/01/222157401.db2.gz JUVVAYZAJXOMDA-ZDUSSCGKSA-N 1 2 397.435 2.463 50 0 GEAALO CCc1nnc(C[NH2+]C[C@]2(O)CCCN(Cc3ccc(C(C)C)cc3)C2=O)o1 ZINC000067757188 222157815 /nfs/dbraw/zinc/15/78/15/222157815.db2.gz BOHJSOICIXWKBD-OAQYLSRUSA-N 1 2 386.496 2.399 50 0 GEAALO C[N@@H+]1[C@@H](c2ccccc2Cl)[C@@H](C(=O)NCc2[nH]cc[nH+]2)C[C@@]1(C)C(=O)[O-] ZINC000067726087 222157969 /nfs/dbraw/zinc/15/79/69/222157969.db2.gz PRNPVTNWXHYXLE-QITLCBANSA-N 1 2 376.844 2.216 50 0 GEAALO C[N@H+]1[C@@H](c2ccccc2Cl)[C@@H](C(=O)NCc2[nH]cc[nH+]2)C[C@@]1(C)C(=O)[O-] ZINC000067726087 222157974 /nfs/dbraw/zinc/15/79/74/222157974.db2.gz PRNPVTNWXHYXLE-QITLCBANSA-N 1 2 376.844 2.216 50 0 GEAALO CCc1nc(CN(C)C(=O)c2cc(Cn3c(C)[nH+]c4ccccc43)n[nH]2)no1 ZINC000067820362 222160633 /nfs/dbraw/zinc/16/06/33/222160633.db2.gz KVKWEGNHOXQMFU-UHFFFAOYSA-N 1 2 379.424 2.334 50 0 GEAALO COc1ncc(CN2CCc3[nH+]c[nH]c3[C@@H]2c2ccc(NC(C)=O)cc2)cn1 ZINC000067841647 222162583 /nfs/dbraw/zinc/16/25/83/222162583.db2.gz BLSSCLJXYKJMEF-IBGZPJMESA-N 1 2 378.436 2.314 50 0 GEAALO CCc1c[nH+]c(C)nc1N1CCC[C@H](n2cc(C(=O)NC3CCCC3)nn2)C1 ZINC000067851952 222163106 /nfs/dbraw/zinc/16/31/06/222163106.db2.gz UHYDLSWITWTYTA-KRWDZBQOSA-N 1 2 383.500 2.453 50 0 GEAALO Cc1cnn(CCNC(=O)c2cc(Cn3c[nH+]c4cc(C)c(C)cc43)n[nH]2)c1 ZINC000067872957 222165636 /nfs/dbraw/zinc/16/56/36/222165636.db2.gz MTZAJYZREDTRAU-UHFFFAOYSA-N 1 2 377.452 2.359 50 0 GEAALO O=C1NC[C@@H](C[N@H+]2CCOc3c(O)cc(-c4ccc(Cl)cn4)cc3C2)O1 ZINC000071315378 222180923 /nfs/dbraw/zinc/18/09/23/222180923.db2.gz LKFVMXUVISBVLA-AWEZNQCLSA-N 1 2 375.812 2.410 50 0 GEAALO O=C1NC[C@@H](C[N@@H+]2CCOc3c(O)cc(-c4ccc(Cl)cn4)cc3C2)O1 ZINC000071315378 222180926 /nfs/dbraw/zinc/18/09/26/222180926.db2.gz LKFVMXUVISBVLA-AWEZNQCLSA-N 1 2 375.812 2.410 50 0 GEAALO O=C(NCc1ccc[nH+]c1N1CCC[C@@H](O)C1)c1ccccc1-c1ncc[nH]1 ZINC000071419424 222183327 /nfs/dbraw/zinc/18/33/27/222183327.db2.gz QDAGBIMBXBKKMN-MRXNPFEDSA-N 1 2 377.448 2.363 50 0 GEAALO O=S(=O)(c1cccs1)N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC000071797442 222198170 /nfs/dbraw/zinc/19/81/70/222198170.db2.gz NFAIVYYHMJCDOB-UHFFFAOYSA-N 1 2 381.523 2.056 50 0 GEAALO Cc1cc(-c2cn3cc(C(=O)N[C@@H](C)c4[nH]cc[nH+]4)nc3c(=O)n2C)c(C)o1 ZINC000072479366 222266041 /nfs/dbraw/zinc/26/60/41/222266041.db2.gz KGDGYFWFKKARTO-NSHDSACASA-N 1 2 380.408 2.124 50 0 GEAALO O=C(NCCNc1cc(N2CCOCC2)nc[nH+]1)Nc1ccc(F)c(Cl)c1 ZINC000072140616 222210278 /nfs/dbraw/zinc/21/02/78/222210278.db2.gz HOXXEUPOLJENML-UHFFFAOYSA-N 1 2 394.838 2.339 50 0 GEAALO O=C(NCCNc1cc(N2CCOCC2)[nH+]cn1)Nc1ccc(F)c(Cl)c1 ZINC000072140616 222210282 /nfs/dbraw/zinc/21/02/82/222210282.db2.gz HOXXEUPOLJENML-UHFFFAOYSA-N 1 2 394.838 2.339 50 0 GEAALO Cc1cc2nc(C[N@@H+]3CCC[C@H](Nc4ccc5c(c4)OCO5)C3)cc(=O)n2[nH]1 ZINC000072172887 222216146 /nfs/dbraw/zinc/21/61/46/222216146.db2.gz AWLVHSVNICHCTI-HNNXBMFYSA-N 1 2 381.436 2.136 50 0 GEAALO Cc1cc2nc(C[N@H+]3CCC[C@H](Nc4ccc5c(c4)OCO5)C3)cc(=O)n2[nH]1 ZINC000072172887 222216149 /nfs/dbraw/zinc/21/61/49/222216149.db2.gz AWLVHSVNICHCTI-HNNXBMFYSA-N 1 2 381.436 2.136 50 0 GEAALO C[C@H](C(=O)Nc1cc(Cl)ccc1F)[NH+]1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000072308913 222223214 /nfs/dbraw/zinc/22/32/14/222223214.db2.gz LPVAEIYQCVKCLW-MGNBDDOMSA-N 1 2 396.850 2.116 50 0 GEAALO CCCc1nc2c(cnn2C)c(NC[C@@H](c2ccccn2)[NH+]2CCOCC2)n1 ZINC000072427321 222258659 /nfs/dbraw/zinc/25/86/59/222258659.db2.gz UZOIRPAQICPSDN-KRWDZBQOSA-N 1 2 381.484 2.196 50 0 GEAALO COc1ccc(C(=O)NC2CC2)c(OC2CC[NH+](Cc3nnc(C)o3)CC2)c1 ZINC000095508918 222341125 /nfs/dbraw/zinc/34/11/25/222341125.db2.gz OLEPWPBFNRQZRK-UHFFFAOYSA-N 1 2 386.452 2.322 50 0 GEAALO O=C(c1cn2cccnc2n1)N1CCC[C@H](c2[nH+]ccn2Cc2ccccn2)C1 ZINC000095517383 222343697 /nfs/dbraw/zinc/34/36/97/222343697.db2.gz ALFJVQOVNOKGGR-INIZCTEOSA-N 1 2 387.447 2.389 50 0 GEAALO O=C(Cc1ccccc1F)N1CCC2(CC1)c1[nH+]c[nH]c1CCN2C(=O)C1CC1 ZINC000095517123 222343972 /nfs/dbraw/zinc/34/39/72/222343972.db2.gz WYTYNNMIOUHOQL-UHFFFAOYSA-N 1 2 396.466 2.404 50 0 GEAALO O=C(c1ncoc1C1CC1)N1CCC[C@]2(CCC(=O)N(CCc3c[nH+]c[nH]3)C2)C1 ZINC000082128141 222310957 /nfs/dbraw/zinc/31/09/57/222310957.db2.gz PCANGRLMFCGLLG-OAQYLSRUSA-N 1 2 397.479 2.363 50 0 GEAALO O=C(c1ncoc1C1CC1)N1CCC[C@]2(CCC(=O)N(CCc3c[nH]c[nH+]3)C2)C1 ZINC000082128141 222310961 /nfs/dbraw/zinc/31/09/61/222310961.db2.gz PCANGRLMFCGLLG-OAQYLSRUSA-N 1 2 397.479 2.363 50 0 GEAALO CCn1cc[nH+]c1[C@H]1CCCN(C(=O)CCn2cnc3ccccc3c2=O)C1 ZINC000095517746 222344796 /nfs/dbraw/zinc/34/47/96/222344796.db2.gz PDCHDADKOGGWBM-INIZCTEOSA-N 1 2 379.464 2.409 50 0 GEAALO CCC(CC)NS(=O)(=O)c1ccc(S(=O)(=O)Nc2cc[nH+]cc2)cc1 ZINC000095944814 222363092 /nfs/dbraw/zinc/36/30/92/222363092.db2.gz KVTDBPHOHOAUIU-UHFFFAOYSA-N 1 2 383.495 2.349 50 0 GEAALO O=C(c1ccc2c(c1)NC(=O)CCS2)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000095957445 222364101 /nfs/dbraw/zinc/36/41/01/222364101.db2.gz AWCJGAAPZBYUGH-MRXNPFEDSA-N 1 2 389.521 2.448 50 0 GEAALO Cc1[nH]c2ccc(NC(=O)NC[C@@H](c3cccnc3)N3CCOCC3)cc2[nH+]1 ZINC000096165381 222395606 /nfs/dbraw/zinc/39/56/06/222395606.db2.gz FBJVPXUMZTXHGZ-IBGZPJMESA-N 1 2 380.452 2.461 50 0 GEAALO Cc1[nH]c2ccc(NC(=O)NC[C@H](c3cccnc3)N3CCOCC3)cc2[nH+]1 ZINC000096165382 222395703 /nfs/dbraw/zinc/39/57/03/222395703.db2.gz FBJVPXUMZTXHGZ-LJQANCHMSA-N 1 2 380.452 2.461 50 0 GEAALO Cc1cc(CC(=O)N2CCC(c3nnc(Cn4cc[nH+]c4)n3C3CC3)CC2)on1 ZINC000096163419 222395822 /nfs/dbraw/zinc/39/58/22/222395822.db2.gz UELPSFABJWHUAV-UHFFFAOYSA-N 1 2 395.467 2.103 50 0 GEAALO C[C@@H]1[NH2+]C2(CCN(C(=O)c3ccccc3Cl)CC2)N(C[C@H]2CCCO2)C1=O ZINC000096210933 222398730 /nfs/dbraw/zinc/39/87/30/222398730.db2.gz KCCZVDCPZXBGII-LSDHHAIUSA-N 1 2 391.899 2.272 50 0 GEAALO CC(C)c1ccc(N2C(=O)N[C@H](CCC(=O)NCCc3c[nH+]c[nH]3)C2=O)cc1 ZINC000409415292 528107731 /nfs/dbraw/zinc/10/77/31/528107731.db2.gz ZHVHICXMPYGDPD-QGZVFWFLSA-N 1 2 383.452 2.097 50 0 GEAALO CC(C)c1ccc(N2C(=O)N[C@H](CCC(=O)NCCc3c[nH]c[nH+]3)C2=O)cc1 ZINC000409415292 528107739 /nfs/dbraw/zinc/10/77/39/528107739.db2.gz ZHVHICXMPYGDPD-QGZVFWFLSA-N 1 2 383.452 2.097 50 0 GEAALO CCN1CC2(CCN(c3cc(N)[nH+]c(N)n3)CC2)C[C@H](c2ccccc2)C1=O ZINC000091931579 535443448 /nfs/dbraw/zinc/44/34/48/535443448.db2.gz RTXXRODZYOLPJJ-MRXNPFEDSA-N 1 2 380.496 2.264 50 0 GEAALO CCN1CC2(CCN(c3cc(N)nc(N)[nH+]3)CC2)C[C@H](c2ccccc2)C1=O ZINC000091931579 535443457 /nfs/dbraw/zinc/44/34/57/535443457.db2.gz RTXXRODZYOLPJJ-MRXNPFEDSA-N 1 2 380.496 2.264 50 0 GEAALO CN(C)c1cc(N[C@H]2CC(C)(C)Cc3nc(N4CCC(O)CC4)ncc32)[nH+]cn1 ZINC000092080793 536144931 /nfs/dbraw/zinc/14/49/31/536144931.db2.gz JOIBWZOTTNLCNP-INIZCTEOSA-N 1 2 397.527 2.419 50 0 GEAALO CN(C)c1cc(N[C@H]2CC(C)(C)Cc3nc(N4CCC(O)CC4)ncc32)nc[nH+]1 ZINC000092080793 536144936 /nfs/dbraw/zinc/14/49/36/536144936.db2.gz JOIBWZOTTNLCNP-INIZCTEOSA-N 1 2 397.527 2.419 50 0 GEAALO O=C(c1ccc(CN2CCOCC2)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019800250 570220795 /nfs/dbraw/zinc/22/07/95/570220795.db2.gz FSOJVQAMNFBISP-UHFFFAOYSA-N 1 2 379.504 2.477 50 0 GEAALO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000048234789 570221305 /nfs/dbraw/zinc/22/13/05/570221305.db2.gz BYAXYBFVOKDQGD-FQEVSTJZSA-N 1 2 395.507 2.475 50 0 GEAALO Cn1cc[nH+]c1[C@H](NC(=O)CCn1ncc(=O)c2ccccc21)c1ccccc1 ZINC000048265298 570225722 /nfs/dbraw/zinc/22/57/22/570225722.db2.gz QMYDESJCEKCYID-OAQYLSRUSA-N 1 2 387.443 2.426 50 0 GEAALO COc1ccc(CC(=O)NC[C@@H](c2ccc(OC)cc2)[NH+]2CCOCC2)cc1 ZINC000019902225 570228857 /nfs/dbraw/zinc/22/88/57/570228857.db2.gz LVKYXDBQWBLCIX-NRFANRHFSA-N 1 2 384.476 2.436 50 0 GEAALO Cc1nc2n(n1)C(=O)C([C@@H](c1ccccc1C)[NH+]1CCC(C(N)=O)CC1)S2 ZINC000022627582 570229056 /nfs/dbraw/zinc/22/90/56/570229056.db2.gz XPWFQLFHFJKBSB-OAHLLOKOSA-N 1 2 385.493 2.400 50 0 GEAALO COc1ccccc1N(CCC(N)=O)C(=O)C[N@@H+]1CCC[C@@H]1c1cc(C)no1 ZINC000048303741 570232050 /nfs/dbraw/zinc/23/20/50/570232050.db2.gz QMTTWJYLPIZMEZ-OAHLLOKOSA-N 1 2 386.452 2.037 50 0 GEAALO COc1ccccc1N(CCC(N)=O)C(=O)C[N@H+]1CCC[C@@H]1c1cc(C)no1 ZINC000048303741 570232053 /nfs/dbraw/zinc/23/20/53/570232053.db2.gz QMTTWJYLPIZMEZ-OAHLLOKOSA-N 1 2 386.452 2.037 50 0 GEAALO CCCn1ncc(-c2ccnc(N3CCN(Cc4[nH+]ccn4C)CC3)n2)c1C ZINC000019939249 570232568 /nfs/dbraw/zinc/23/25/68/570232568.db2.gz HYRDOMMFOFTWMQ-UHFFFAOYSA-N 1 2 380.500 2.114 50 0 GEAALO CS(=O)(=O)Nc1cccc(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000048310411 570233096 /nfs/dbraw/zinc/23/30/96/570233096.db2.gz BKESGMCEZPPLQU-UHFFFAOYSA-N 1 2 388.424 2.313 50 0 GEAALO C[N@H+](CCc1ccccc1)Cc1cnc(S(C)(=O)=O)n1C[C@@H]1CCCO1 ZINC000020166631 570245734 /nfs/dbraw/zinc/24/57/34/570245734.db2.gz HGLYSCFBAPGHTB-SFHVURJKSA-N 1 2 377.510 2.140 50 0 GEAALO C[N@@H+](CCc1ccccc1)Cc1cnc(S(C)(=O)=O)n1C[C@@H]1CCCO1 ZINC000020166631 570245737 /nfs/dbraw/zinc/24/57/37/570245737.db2.gz HGLYSCFBAPGHTB-SFHVURJKSA-N 1 2 377.510 2.140 50 0 GEAALO CCOc1ccc(C[NH+]2CCC([N@@H+]3CCC[C@H](C(=O)[O-])C3)CC2)cc1CO ZINC000097574961 570247037 /nfs/dbraw/zinc/24/70/37/570247037.db2.gz FKPCYWAOKBTXLK-KRWDZBQOSA-N 1 2 376.497 2.339 50 0 GEAALO CCOc1ccc(C[NH+]2CCC([N@H+]3CCC[C@H](C(=O)[O-])C3)CC2)cc1CO ZINC000097574961 570247041 /nfs/dbraw/zinc/24/70/41/570247041.db2.gz FKPCYWAOKBTXLK-KRWDZBQOSA-N 1 2 376.497 2.339 50 0 GEAALO CCOC(=O)N1CC[NH+](C[C@H](O)COc2ccc(OC(F)(F)F)cc2)CC1 ZINC000020405946 570254379 /nfs/dbraw/zinc/25/43/79/570254379.db2.gz MPJMPFWQZBTNQB-ZDUSSCGKSA-N 1 2 392.374 2.099 50 0 GEAALO COc1ccccc1N1CCN(C(=O)c2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000020456373 570259121 /nfs/dbraw/zinc/25/91/21/570259121.db2.gz LURMFCQQFFYRNS-UHFFFAOYSA-N 1 2 395.503 2.490 50 0 GEAALO O=C(c1cc2ccccc2oc1=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000020477993 570261337 /nfs/dbraw/zinc/26/13/37/570261337.db2.gz MHFRFCSVPGHFPJ-UHFFFAOYSA-N 1 2 392.411 2.480 50 0 GEAALO CC(C)CCn1c(C[N@@H+]2CCc3ccccc3C2)nc2c1c(=O)n(C)c(=O)n2C ZINC000020503629 570264705 /nfs/dbraw/zinc/26/47/05/570264705.db2.gz JDLURUYDIJHZAP-UHFFFAOYSA-N 1 2 395.507 2.038 50 0 GEAALO CC(C)CCn1c(C[N@H+]2CCc3ccccc3C2)nc2c1c(=O)n(C)c(=O)n2C ZINC000020503629 570264707 /nfs/dbraw/zinc/26/47/07/570264707.db2.gz JDLURUYDIJHZAP-UHFFFAOYSA-N 1 2 395.507 2.038 50 0 GEAALO CCn1cc(C[NH+]2CCN(C(=O)[C@H](C)n3cc(Cl)c(C)n3)CC2)c(C)n1 ZINC000020608437 570271497 /nfs/dbraw/zinc/27/14/97/570271497.db2.gz RJMQMQRYIQVZMU-HNNXBMFYSA-N 1 2 378.908 2.275 50 0 GEAALO CC[C@@H](O)CNC(=O)c1coc(CN2CC[NH+](C/C=C/c3ccccc3)CC2)n1 ZINC000020783959 570280300 /nfs/dbraw/zinc/28/03/00/570280300.db2.gz HLHXRKVILQHSCE-MBNRZODZSA-N 1 2 398.507 2.006 50 0 GEAALO O=S(=O)(c1ccc(F)cc1)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000012901303 570288544 /nfs/dbraw/zinc/28/85/44/570288544.db2.gz KTSBGJFRMFYXDA-UHFFFAOYSA-N 1 2 376.453 2.267 50 0 GEAALO C[C@@H](C(=O)NCc1ccccc1)[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000021847731 570297904 /nfs/dbraw/zinc/29/79/04/570297904.db2.gz JUWXYKLYTFYYHU-KRWDZBQOSA-N 1 2 381.476 2.238 50 0 GEAALO C[C@@H](C(=O)NCc1ccccc1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000021847731 570297906 /nfs/dbraw/zinc/29/79/06/570297906.db2.gz JUWXYKLYTFYYHU-KRWDZBQOSA-N 1 2 381.476 2.238 50 0 GEAALO COc1cc2c(cc1OC)C[N@@H+]([C@H]1CC(=O)N(CCc3ccccc3)C1=O)CC2 ZINC000022609396 570323104 /nfs/dbraw/zinc/32/31/04/570323104.db2.gz DTVHMMRXJDHMJZ-IBGZPJMESA-N 1 2 394.471 2.432 50 0 GEAALO COc1cc2c(cc1OC)C[N@H+]([C@H]1CC(=O)N(CCc3ccccc3)C1=O)CC2 ZINC000022609396 570323105 /nfs/dbraw/zinc/32/31/05/570323105.db2.gz DTVHMMRXJDHMJZ-IBGZPJMESA-N 1 2 394.471 2.432 50 0 GEAALO O=S(=O)(NCc1ccccc1C[NH+]1CCOCC1)c1cc(F)cc(F)c1 ZINC000022841125 570330960 /nfs/dbraw/zinc/33/09/60/570330960.db2.gz BSKQQYXVWVDVEA-UHFFFAOYSA-N 1 2 382.432 2.276 50 0 GEAALO C[C@@H](C(=O)N1CCC(C)CC1)[NH+]1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000022912686 570333528 /nfs/dbraw/zinc/33/35/28/570333528.db2.gz NNIXZMJHHTUUBQ-KRWDZBQOSA-N 1 2 390.503 2.029 50 0 GEAALO COc1ccc(CN2CC[NH+](CC(=O)N3CCCC[C@H]3C)CC2)cc1OC ZINC000022930974 570337143 /nfs/dbraw/zinc/33/71/43/570337143.db2.gz DZNIXWUPLAQDIU-QGZVFWFLSA-N 1 2 375.513 2.222 50 0 GEAALO COc1ccc(C[NH+]2CCN(CC(=O)N3CCCC[C@H]3C)CC2)cc1OC ZINC000022930974 570337147 /nfs/dbraw/zinc/33/71/47/570337147.db2.gz DZNIXWUPLAQDIU-QGZVFWFLSA-N 1 2 375.513 2.222 50 0 GEAALO O=C(CCc1nc2ccccc2o1)OCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000023030643 570340919 /nfs/dbraw/zinc/34/09/19/570340919.db2.gz VIWROJHIZPFUEY-UHFFFAOYSA-N 1 2 394.431 2.047 50 0 GEAALO COCC[NH+]1CCN(C(=O)c2nc(-c3ccco3)n(-c3ccc(C)cc3)n2)CC1 ZINC000034911453 570341147 /nfs/dbraw/zinc/34/11/47/570341147.db2.gz PEYKDKUIRBEBQW-UHFFFAOYSA-N 1 2 395.463 2.240 50 0 GEAALO COc1ccccc1[C@H]1SCC(=O)N1CC[NH+]1CCN(C(=O)C(C)C)CC1 ZINC000034854842 570341446 /nfs/dbraw/zinc/34/14/46/570341446.db2.gz UGOQVUMLQWUHES-HXUWFJFHSA-N 1 2 391.537 2.069 50 0 GEAALO C[NH+](C)Cc1nc(C(=O)N[C@@H]2COCC[C@@H]2OCc2ccccc2)cs1 ZINC000218916823 570343491 /nfs/dbraw/zinc/34/34/91/570343491.db2.gz CRTJWESYQPCBDG-WBVHZDCISA-N 1 2 375.494 2.309 50 0 GEAALO C[NH+]1CCN(S(=O)(=O)c2ccc(Oc3ccc4ccncc4c3)nc2)CC1 ZINC000035362807 570344538 /nfs/dbraw/zinc/34/45/38/570344538.db2.gz ONDCTZMLRSGJHP-UHFFFAOYSA-N 1 2 384.461 2.358 50 0 GEAALO CCNC(=O)NC(=O)[C@H]([NH2+]CC(=O)Nc1c(C)cccc1C)c1ccccc1 ZINC000024097123 570345756 /nfs/dbraw/zinc/34/57/56/570345756.db2.gz PKJNFCDIJWBDCL-LJQANCHMSA-N 1 2 382.464 2.419 50 0 GEAALO CCOC(=O)[C@@H]1CCC[N@@H+]([C@@H]2CC(=O)N(c3cc(Cl)ccc3OC)C2=O)C1 ZINC000033420786 570346819 /nfs/dbraw/zinc/34/68/19/570346819.db2.gz PLRLPNOILAMWJC-IUODEOHRSA-N 1 2 394.855 2.256 50 0 GEAALO CCOC(=O)[C@@H]1CCC[N@H+]([C@@H]2CC(=O)N(c3cc(Cl)ccc3OC)C2=O)C1 ZINC000033420786 570346821 /nfs/dbraw/zinc/34/68/21/570346821.db2.gz PLRLPNOILAMWJC-IUODEOHRSA-N 1 2 394.855 2.256 50 0 GEAALO O=C(C[NH+]1CCN(c2ccc(F)cc2)CC1)N1CCN(c2ccccc2)CC1 ZINC000055565727 570351538 /nfs/dbraw/zinc/35/15/38/570351538.db2.gz YAJGPFAWQQKYJD-UHFFFAOYSA-N 1 2 382.483 2.297 50 0 GEAALO O=C(NCc1ccccc1C[NH+]1CCOCC1)c1ccc(Cn2cncn2)cc1 ZINC000023240170 570351846 /nfs/dbraw/zinc/35/18/46/570351846.db2.gz YVTOOVWHGJEJBL-UHFFFAOYSA-N 1 2 391.475 2.089 50 0 GEAALO CCN1CC[NH+](C2(C(=O)N[C@@H](C)Cc3cccnc3)Cc3ccccc3C2)CC1 ZINC000023373609 570357917 /nfs/dbraw/zinc/35/79/17/570357917.db2.gz WEAKAUVWJWZDHC-IBGZPJMESA-N 1 2 392.547 2.304 50 0 GEAALO O=C(c1cc(=O)[nH]c2ccccc21)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000023763249 570371940 /nfs/dbraw/zinc/37/19/40/570371940.db2.gz YLVLRRZNSFNPNC-UHFFFAOYSA-N 1 2 391.427 2.215 50 0 GEAALO Cc1cccc(Cn2c(C[N@H+]3CCC[C@H](C)C3)nc3c2c(=O)n(C)c(=O)n3C)c1 ZINC000004930120 570372015 /nfs/dbraw/zinc/37/20/15/570372015.db2.gz GYTDNJGHOJYVFK-INIZCTEOSA-N 1 2 395.507 2.022 50 0 GEAALO Cc1cccc(Cn2c(C[N@@H+]3CCC[C@H](C)C3)nc3c2c(=O)n(C)c(=O)n3C)c1 ZINC000004930120 570372017 /nfs/dbraw/zinc/37/20/17/570372017.db2.gz GYTDNJGHOJYVFK-INIZCTEOSA-N 1 2 395.507 2.022 50 0 GEAALO Cc1ccccc1Cn1c(C[N@H+]2CCCC[C@H]2C)nc2c1c(=O)n(C)c(=O)n2C ZINC000004385494 570372690 /nfs/dbraw/zinc/37/26/90/570372690.db2.gz SVDHNZGYRGZIJL-MRXNPFEDSA-N 1 2 395.507 2.165 50 0 GEAALO Cc1ccccc1Cn1c(C[N@@H+]2CCCC[C@H]2C)nc2c1c(=O)n(C)c(=O)n2C ZINC000004385494 570372692 /nfs/dbraw/zinc/37/26/92/570372692.db2.gz SVDHNZGYRGZIJL-MRXNPFEDSA-N 1 2 395.507 2.165 50 0 GEAALO CS(=O)(=O)N(CC(=O)NCCCn1cc[nH+]c1)c1cccc2ccccc21 ZINC000004938066 570374645 /nfs/dbraw/zinc/37/46/45/570374645.db2.gz LHLVTXFADPWZNM-UHFFFAOYSA-N 1 2 386.477 2.009 50 0 GEAALO O=C(CCc1ccc2c(c1)OCO2)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000023989980 570376341 /nfs/dbraw/zinc/37/63/41/570376341.db2.gz VOHDARFJBQEMNC-UHFFFAOYSA-N 1 2 396.443 2.421 50 0 GEAALO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc2c(c1)OCC(=O)N2)c1cccc(F)c1 ZINC000024015073 570377029 /nfs/dbraw/zinc/37/70/29/570377029.db2.gz FFDQTBGLWRSJAE-GOSISDBHSA-N 1 2 380.379 2.410 50 0 GEAALO CCOC(=O)c1[nH]c(C)c(CCC(=O)N2CCN(c3cccc[nH+]3)CC2)c1C ZINC000035510120 570382878 /nfs/dbraw/zinc/38/28/78/570382878.db2.gz ZAJVNABGMSRRNS-UHFFFAOYSA-N 1 2 384.480 2.485 50 0 GEAALO CC(C)NS(=O)(=O)c1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)nc2)cc1 ZINC000024661710 570389241 /nfs/dbraw/zinc/38/92/41/570389241.db2.gz KLKBJNNEXHJUFZ-UHFFFAOYSA-N 1 2 385.449 2.206 50 0 GEAALO O=C(NCC[NH+]1CCOCC1)c1ccc2cnn(Cc3ccc(F)cc3)c2c1 ZINC000035560060 570396902 /nfs/dbraw/zinc/39/69/02/570396902.db2.gz YQLDEOQVVGYMFC-UHFFFAOYSA-N 1 2 382.439 2.286 50 0 GEAALO CCOC(=O)C1=C(CN2CCC[C@H]2c2[nH+]ccn2C)NC(=O)N[C@@H]1c1ccco1 ZINC000222088805 570407127 /nfs/dbraw/zinc/40/71/27/570407127.db2.gz OUUBOUUBLYFKFA-WMLDXEAASA-N 1 2 399.451 2.021 50 0 GEAALO CCn1c(=O)cc(OCC(=O)N2CCN(c3cccc[nH+]3)CC2)c2ccccc21 ZINC000005067149 570410351 /nfs/dbraw/zinc/41/03/51/570410351.db2.gz RHUJKVGQRDZMKP-UHFFFAOYSA-N 1 2 392.459 2.144 50 0 GEAALO O=S(=O)(Cc1ccc(F)cc1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000025369466 570412254 /nfs/dbraw/zinc/41/22/54/570412254.db2.gz UCCPLKYMHCSSTP-UHFFFAOYSA-N 1 2 378.469 2.278 50 0 GEAALO Cc1ccc(C(=O)C[N@H+]2c3ccccc3N(CCN3CCOCC3)C2=N)cc1 ZINC000000863767 570412928 /nfs/dbraw/zinc/41/29/28/570412928.db2.gz YFEMIWJTKMVRCA-UHFFFAOYSA-N 1 2 378.476 2.446 50 0 GEAALO Cc1ccc(C(=O)C[N@@H+]2c3ccccc3N(CCN3CCOCC3)C2=N)cc1 ZINC000000863767 570412930 /nfs/dbraw/zinc/41/29/30/570412930.db2.gz YFEMIWJTKMVRCA-UHFFFAOYSA-N 1 2 378.476 2.446 50 0 GEAALO COC(=O)C1=C(C[NH+]2CCSCC2)NC(=O)N[C@@H]1c1ccccc1Cl ZINC000026455817 570425633 /nfs/dbraw/zinc/42/56/33/570425633.db2.gz WYLDYVKSFAVUJC-OAHLLOKOSA-N 1 2 381.885 2.170 50 0 GEAALO O=C([C@@H]1CC(=O)N(C2CCCCCC2)C1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000072277573 570463177 /nfs/dbraw/zinc/46/31/77/570463177.db2.gz KRAVHLJHWCWFKX-QUCCMNQESA-N 1 2 391.556 2.271 50 0 GEAALO CCC(NCCCn1cc[nH+]c1)=C1C(=O)NC(=O)N(c2ccccc2C)C1=O ZINC000006564370 570478715 /nfs/dbraw/zinc/47/87/15/570478715.db2.gz AETOFAJSVGGLNT-BMRADRMJSA-N 1 2 381.436 2.118 50 0 GEAALO CCOC(=O)c1c2c(sc1NC(=O)C[NH+]1CCC3(CC1)OCCO3)CCC2 ZINC000006726687 570490720 /nfs/dbraw/zinc/49/07/20/570490720.db2.gz OASLHCPRJOMZTH-UHFFFAOYSA-N 1 2 394.493 2.191 50 0 GEAALO O=C(CN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O)NCCCn1cc[nH+]c1 ZINC000005209063 570506988 /nfs/dbraw/zinc/50/69/88/570506988.db2.gz QVEIBIXWLYHJBX-GDNBJRDFSA-N 1 2 388.424 2.265 50 0 GEAALO Cc1ccc(S(=O)(=O)N2CCN(Cc3cn4cccc(C)c4[nH+]3)CC2)cc1 ZINC000006657904 570522067 /nfs/dbraw/zinc/52/20/67/570522067.db2.gz IJSPSVYVNMBISU-UHFFFAOYSA-N 1 2 384.505 2.458 50 0 GEAALO CNC(=O)Cc1nc(C[N@@H+](Cc2ccccc2)C[C@H](C)C(=O)OC)cs1 ZINC000072309145 570530190 /nfs/dbraw/zinc/53/01/90/570530190.db2.gz WESCBDSNJRXJQG-AWEZNQCLSA-N 1 2 375.494 2.243 50 0 GEAALO CNC(=O)Cc1nc(C[N@H+](Cc2ccccc2)C[C@H](C)C(=O)OC)cs1 ZINC000072309145 570530191 /nfs/dbraw/zinc/53/01/91/570530191.db2.gz WESCBDSNJRXJQG-AWEZNQCLSA-N 1 2 375.494 2.243 50 0 GEAALO Cc1ccc(-c2nnn(CC(=O)N[C@H](c3[nH+]ccn3C)c3ccccc3)n2)cc1 ZINC000008746474 570540422 /nfs/dbraw/zinc/54/04/22/570540422.db2.gz UOYWKYSOWKRNSS-IBGZPJMESA-N 1 2 387.447 2.288 50 0 GEAALO COc1ccc([C@H]2CCCCC[N@@H+]2CC(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000034894814 570546609 /nfs/dbraw/zinc/54/66/09/570546609.db2.gz PKWZZPGFVPLFEX-PKOBYXMFSA-N 1 2 394.537 2.258 50 0 GEAALO COc1ccc([C@H]2CCCCC[N@H+]2CC(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000034894814 570546612 /nfs/dbraw/zinc/54/66/12/570546612.db2.gz PKWZZPGFVPLFEX-PKOBYXMFSA-N 1 2 394.537 2.258 50 0 GEAALO N=c1c2c(ncn1CC[NH+]1CCOCC1)Oc1cc(O)ccc1[C@H]2c1ccco1 ZINC000005346634 570561422 /nfs/dbraw/zinc/56/14/22/570561422.db2.gz VFYOGXCOZKNEPM-SFHVURJKSA-N 1 2 394.431 2.279 50 0 GEAALO Cc1nc(-n2cccn2)cc(N2CCN(C(=O)[C@@H](C)Oc3ccccc3)CC2)[nH+]1 ZINC000036705446 570568130 /nfs/dbraw/zinc/56/81/30/570568130.db2.gz BPEMDVGERQJFCM-MRXNPFEDSA-N 1 2 392.463 2.087 50 0 GEAALO C[C@@H]1C[N@H+](Cc2ccccn2)CCN1C(=O)c1cn(Cc2cccc(F)c2)nn1 ZINC000225384489 570569001 /nfs/dbraw/zinc/56/90/01/570569001.db2.gz MWLYFCRRZSUJLF-MRXNPFEDSA-N 1 2 394.454 2.207 50 0 GEAALO C[C@@H]1C[N@@H+](Cc2ccccn2)CCN1C(=O)c1cn(Cc2cccc(F)c2)nn1 ZINC000225384489 570569005 /nfs/dbraw/zinc/56/90/05/570569005.db2.gz MWLYFCRRZSUJLF-MRXNPFEDSA-N 1 2 394.454 2.207 50 0 GEAALO CC[C@@H](C)C(=O)N1CC[NH+]([C@H](C(=O)N2CCSCC2)C2CCCC2)CC1 ZINC000036251205 570587366 /nfs/dbraw/zinc/58/73/66/570587366.db2.gz UFLRNQBNAHQBQB-AEFFLSMTSA-N 1 2 381.586 2.311 50 0 GEAALO O=C([C@@H](C1CCCC1)[NH+]1CCN(C(=O)C2CCCC2)CC1)N1CCSCC1 ZINC000036251177 570587496 /nfs/dbraw/zinc/58/74/96/570587496.db2.gz KTEBYMCNDWLFBZ-LJQANCHMSA-N 1 2 393.597 2.455 50 0 GEAALO CC(C)(C)C(=O)N1CC[NH+]([C@@H](C(=O)NCc2ccccn2)C2CCCC2)CC1 ZINC000036253562 570588139 /nfs/dbraw/zinc/58/81/39/570588139.db2.gz ZLBZIMUDZNTHCN-LJQANCHMSA-N 1 2 386.540 2.447 50 0 GEAALO C[C@@H]1C(=O)N(C)CC[N@H+]1Cc1ccc(-c2nc(-c3ccncc3)cc(=O)[nH]2)cc1 ZINC000048155869 570655679 /nfs/dbraw/zinc/65/56/79/570655679.db2.gz NJPGXYRUQSSVAG-OAHLLOKOSA-N 1 2 389.459 2.161 50 0 GEAALO C[C@@H]1C(=O)N(C)CC[N@@H+]1Cc1ccc(-c2nc(-c3ccncc3)cc(=O)[nH]2)cc1 ZINC000048155869 570655683 /nfs/dbraw/zinc/65/56/83/570655683.db2.gz NJPGXYRUQSSVAG-OAHLLOKOSA-N 1 2 389.459 2.161 50 0 GEAALO O=C(Nc1cccc(Oc2cc[nH+]cc2)c1)C(=O)N[C@H]1CCc2n[nH]cc2C1 ZINC000167527755 570660323 /nfs/dbraw/zinc/66/03/23/570660323.db2.gz ILSJMUUSXCUOJB-HNNXBMFYSA-N 1 2 377.404 2.209 50 0 GEAALO O=C(CSc1[nH+]cnc2c1cnn2-c1ccc(F)cc1)NC[C@@H]1CCCO1 ZINC000004341560 570676463 /nfs/dbraw/zinc/67/64/63/570676463.db2.gz ABDLIIONBBQBGV-AWEZNQCLSA-N 1 2 387.440 2.342 50 0 GEAALO CC[C@@H]1C[C@H](C(=O)N2CC[NH+]([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)CCO1 ZINC000239653767 570684067 /nfs/dbraw/zinc/68/40/67/570684067.db2.gz BLHIDBVJJPYBQS-KZNAEPCWSA-N 1 2 395.544 2.345 50 0 GEAALO COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(Oc3cccnc3)cc2)C1 ZINC000241837513 570687432 /nfs/dbraw/zinc/68/74/32/570687432.db2.gz SKTMQLICSISWNG-INIZCTEOSA-N 1 2 383.448 2.489 50 0 GEAALO COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2ccc(Oc3cccnc3)cc2)C1 ZINC000241837513 570687434 /nfs/dbraw/zinc/68/74/34/570687434.db2.gz SKTMQLICSISWNG-INIZCTEOSA-N 1 2 383.448 2.489 50 0 GEAALO Cc1nc(NC(=O)C[NH+]2CCC(Cn3cc[nH+]c3C)CC2)sc1C(=O)[O-] ZINC000243956751 570692182 /nfs/dbraw/zinc/69/21/82/570692182.db2.gz CDIVJKAOEYXBLI-UHFFFAOYSA-N 1 2 377.470 2.005 50 0 GEAALO COc1cc2c(cc1OC)C[N@H+](CC(=O)NC(=O)NCc1ccccc1)CC2 ZINC000006381133 570724547 /nfs/dbraw/zinc/72/45/47/570724547.db2.gz OEEFESSNGSTHSX-UHFFFAOYSA-N 1 2 383.448 2.088 50 0 GEAALO COc1cc2c(cc1OC)C[N@@H+](CC(=O)NC(=O)NCc1ccccc1)CC2 ZINC000006381133 570724549 /nfs/dbraw/zinc/72/45/49/570724549.db2.gz OEEFESSNGSTHSX-UHFFFAOYSA-N 1 2 383.448 2.088 50 0 GEAALO Cc1c(S(=O)(=O)N2CC[NH+](Cc3ccccc3C)CC2)cnn1C(F)F ZINC000036614651 570750371 /nfs/dbraw/zinc/75/03/71/570750371.db2.gz HXTASGZBWNFZGI-UHFFFAOYSA-N 1 2 384.452 2.402 50 0 GEAALO O=C(CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1)N1CCc2ccccc21 ZINC000022026882 570777747 /nfs/dbraw/zinc/77/77/47/570777747.db2.gz DNMQPXWRWQKXKX-UHFFFAOYSA-N 1 2 379.460 2.122 50 0 GEAALO CC[N@H+](CCCNC(=O)[C@@H]1CCCN(c2cn[nH]c(=O)c2)C1)c1ccccc1 ZINC000065314129 570796118 /nfs/dbraw/zinc/79/61/18/570796118.db2.gz GEHIIIUCPKCUOX-QGZVFWFLSA-N 1 2 383.496 2.019 50 0 GEAALO CC[N@@H+](CCCNC(=O)[C@@H]1CCCN(c2cn[nH]c(=O)c2)C1)c1ccccc1 ZINC000065314129 570796122 /nfs/dbraw/zinc/79/61/22/570796122.db2.gz GEHIIIUCPKCUOX-QGZVFWFLSA-N 1 2 383.496 2.019 50 0 GEAALO O=c1c(=O)c(N2CC[NH+](Cc3ccccc3)CC2)c1NCc1ccccc1F ZINC000101693444 570830614 /nfs/dbraw/zinc/83/06/14/570830614.db2.gz KLEHSZLFGTZLHL-UHFFFAOYSA-N 1 2 379.435 2.356 50 0 GEAALO C[C@H](NC(=O)CN1C(=O)NC2(CCCCC2)C1=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000012541066 570841075 /nfs/dbraw/zinc/84/10/75/570841075.db2.gz CYXURGHUIAAIKC-HNNXBMFYSA-N 1 2 395.463 2.304 50 0 GEAALO O=C(NCc1ccc(Cl)cc1)C(=O)NCC1CCN(c2cccc[nH+]2)CC1 ZINC000043941392 570841969 /nfs/dbraw/zinc/84/19/69/570841969.db2.gz XZDLZFWOUZJURT-UHFFFAOYSA-N 1 2 386.883 2.384 50 0 GEAALO COc1ccc(C[N@@H+]2CCN(C(=O)c3ccc(O)cc3)C[C@@H]2CCO)c(F)c1 ZINC000072476885 570882313 /nfs/dbraw/zinc/88/23/13/570882313.db2.gz ARRZQMWMEYDEIZ-KRWDZBQOSA-N 1 2 388.439 2.249 50 0 GEAALO COc1ccc(C[N@H+]2CCN(C(=O)c3ccc(O)cc3)C[C@@H]2CCO)c(F)c1 ZINC000072476885 570882315 /nfs/dbraw/zinc/88/23/15/570882315.db2.gz ARRZQMWMEYDEIZ-KRWDZBQOSA-N 1 2 388.439 2.249 50 0 GEAALO O=C(NC[C@@H]([C@H]1CCOC1)[NH+]1CCOCC1)c1csc(-c2ccsc2)n1 ZINC000042394302 570890762 /nfs/dbraw/zinc/89/07/62/570890762.db2.gz DDFBPVFWBRWKEG-BBRMVZONSA-N 1 2 393.534 2.339 50 0 GEAALO c1coc(-c2ncc(C[N@H+]3CCn4nc(CNc5cnccn5)cc4C3)cn2)c1 ZINC000299778998 570895067 /nfs/dbraw/zinc/89/50/67/570895067.db2.gz POIJXQFZDPILJD-UHFFFAOYSA-N 1 2 388.435 2.351 50 0 GEAALO c1coc(-c2ncc(C[N@@H+]3CCn4nc(CNc5cnccn5)cc4C3)cn2)c1 ZINC000299778998 570895070 /nfs/dbraw/zinc/89/50/70/570895070.db2.gz POIJXQFZDPILJD-UHFFFAOYSA-N 1 2 388.435 2.351 50 0 GEAALO C[C@H](C(=O)Nc1ccccc1)N1CC[NH+](CC(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000104114442 570895672 /nfs/dbraw/zinc/89/56/72/570895672.db2.gz ZTPDAUIPLYYBIG-CEXWTWQISA-N 1 2 386.540 2.136 50 0 GEAALO O=C(CCNC(=O)c1ccsc1)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000032901473 570897208 /nfs/dbraw/zinc/89/72/08/570897208.db2.gz SWVINLJIMKBPMI-OAHLLOKOSA-N 1 2 393.534 2.119 50 0 GEAALO O=C(NC[C@H](c1cccc2ccccc21)[NH+]1CCOCC1)C(=O)NC1CCCC1 ZINC000023107572 570906001 /nfs/dbraw/zinc/90/60/01/570906001.db2.gz DSYBOBSBVHXULP-OAQYLSRUSA-N 1 2 395.503 2.388 50 0 GEAALO CC(C)[C@H](NC(=O)c1ccc(-c2cncc(C(N)=O)n2)cc1)c1[nH+]ccn1C ZINC000534655044 570915258 /nfs/dbraw/zinc/91/52/58/570915258.db2.gz DOYQPYYMWUXOJZ-KRWDZBQOSA-N 1 2 378.436 2.103 50 0 GEAALO O=C(N[C@@H]1CCCN(C(=O)c2ccccc2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000534670128 570920418 /nfs/dbraw/zinc/92/04/18/570920418.db2.gz SFSIEUOBRLFVLD-LJQANCHMSA-N 1 2 393.491 2.218 50 0 GEAALO C[C@H](NC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000248380281 570966123 /nfs/dbraw/zinc/96/61/23/570966123.db2.gz POHJUTVUVRZQLJ-BMGDILEWSA-N 1 2 380.448 2.225 50 0 GEAALO C[NH+]1CCN(Cc2cnc(S(=O)(=O)CC3CC3)n2CC2CCCCC2)CC1 ZINC000019338173 570976677 /nfs/dbraw/zinc/97/66/77/570976677.db2.gz NJSGNRCGJPTLFE-UHFFFAOYSA-N 1 2 394.585 2.395 50 0 GEAALO O=C(NCc1ccc(Cn2cncn2)cc1)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000045862645 570998105 /nfs/dbraw/zinc/99/81/05/570998105.db2.gz BATYPYOZTNURJJ-UHFFFAOYSA-N 1 2 391.479 2.321 50 0 GEAALO O=C(c1ccccc1C[NH+]1CCOCC1)N1CCC(OC[C@@H]2CCCO2)CC1 ZINC000170656004 571000636 /nfs/dbraw/zinc/00/06/36/571000636.db2.gz QXIZVEAERSHFOS-FQEVSTJZSA-N 1 2 388.508 2.319 50 0 GEAALO O=C(c1ccccc1-c1nc[nH]n1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000091255014 571001738 /nfs/dbraw/zinc/00/17/38/571001738.db2.gz CMLOEELLEPDVMQ-UHFFFAOYSA-N 1 2 377.448 2.309 50 0 GEAALO O=C(c1ccccc1-c1nnc[nH]1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000091255014 571001739 /nfs/dbraw/zinc/00/17/39/571001739.db2.gz CMLOEELLEPDVMQ-UHFFFAOYSA-N 1 2 377.448 2.309 50 0 GEAALO CS[C@@H](C)C(=O)N1CCC2(CCC(=O)N(CCCn3cc[nH+]c3)C2)CC1 ZINC000091616304 571018018 /nfs/dbraw/zinc/01/80/18/571018018.db2.gz LIAMGOLLFLBGJQ-INIZCTEOSA-N 1 2 378.542 2.256 50 0 GEAALO CCc1nc(C[N@@H+]2CCC[C@]3(CCC(=O)N(Cc4cnc(C)cn4)C3)C2)no1 ZINC000091643325 571020695 /nfs/dbraw/zinc/02/06/95/571020695.db2.gz PZEQJKWDTPVCJP-FQEVSTJZSA-N 1 2 384.484 2.135 50 0 GEAALO CCc1nc(C[N@H+]2CCC[C@]3(CCC(=O)N(Cc4cnc(C)cn4)C3)C2)no1 ZINC000091643325 571020697 /nfs/dbraw/zinc/02/06/97/571020697.db2.gz PZEQJKWDTPVCJP-FQEVSTJZSA-N 1 2 384.484 2.135 50 0 GEAALO Cc1cc(C(=O)N2CCC(c3[nH+]ccn3Cc3ccccn3)CC2)nc(N)n1 ZINC000091707003 571026781 /nfs/dbraw/zinc/02/67/81/571026781.db2.gz CFZIJJYRIZYKGR-UHFFFAOYSA-N 1 2 377.452 2.027 50 0 GEAALO CCCO[C@H](C)C(=O)N1CCC2(CCC(=O)N(CCCn3cc[nH+]c3)C2)CC1 ZINC000091943709 571036973 /nfs/dbraw/zinc/03/69/73/571036973.db2.gz GZQSHCZSSCVTGZ-GOSISDBHSA-N 1 2 390.528 2.320 50 0 GEAALO C[NH+]1CCN(S(=O)(=O)c2ccc(Br)c(C(F)(F)F)c2)CC1 ZINC000095215909 571050138 /nfs/dbraw/zinc/05/01/38/571050138.db2.gz BFJVZPRNTMMUFX-UHFFFAOYSA-N 1 2 387.221 2.404 50 0 GEAALO Cc1n[nH]c(CCC(=O)N2C[C@@H](c3ccc(F)cc3)[C@@H]3[C@H]2C2CC[NH+]3CC2)n1 ZINC000095359648 571054621 /nfs/dbraw/zinc/05/46/21/571054621.db2.gz OBCUTASLNCPJHF-IOMROCGXSA-N 1 2 383.471 2.274 50 0 GEAALO C[NH+](C)[C@H](C(=O)NC1CCN(C(=O)N2CCCC2)CC1)c1ccccc1F ZINC000095366809 571058963 /nfs/dbraw/zinc/05/89/63/571058963.db2.gz XBEKIAUYHMWXPX-SFHVURJKSA-N 1 2 376.476 2.225 50 0 GEAALO C[C@H](C(=O)N1CCC2(CCC(=O)N(CCc3ccccn3)C2)CC1)n1cc[nH+]c1 ZINC000095371101 571061372 /nfs/dbraw/zinc/06/13/72/571061372.db2.gz OFELAAPNGXQDDN-GOSISDBHSA-N 1 2 395.507 2.313 50 0 GEAALO O=C(CN1CCCCCC1=O)N1CCC[C@@H](c2[nH+]ccn2Cc2cccnc2)C1 ZINC000095374156 571063143 /nfs/dbraw/zinc/06/31/43/571063143.db2.gz SSCLFIJWVVTGCT-LJQANCHMSA-N 1 2 395.507 2.435 50 0 GEAALO C[C@@H](CNS(=O)(=O)c1cccc(C(=O)NC2CCCC2)c1)n1cc[nH+]c1 ZINC000095388313 571071100 /nfs/dbraw/zinc/07/11/00/571071100.db2.gz GWNRXPFWGIHUIM-AWEZNQCLSA-N 1 2 376.482 2.095 50 0 GEAALO CCc1ccc(C[N@@H+]2CCc3c(C(=O)N4CCNC(=O)[C@H]4C)csc3C2)nc1 ZINC000426584058 529643696 /nfs/dbraw/zinc/64/36/96/529643696.db2.gz RAVOWCBQXMYXKE-CQSZACIVSA-N 1 2 398.532 2.224 50 0 GEAALO CCc1ccc(C[N@H+]2CCc3c(C(=O)N4CCNC(=O)[C@H]4C)csc3C2)nc1 ZINC000426584058 529643698 /nfs/dbraw/zinc/64/36/98/529643698.db2.gz RAVOWCBQXMYXKE-CQSZACIVSA-N 1 2 398.532 2.224 50 0 GEAALO CCc1ccc(C[N@@H+]2CCc3c(C(=O)NCCn4cnnc4)csc3C2)nc1 ZINC000426382857 529644494 /nfs/dbraw/zinc/64/44/94/529644494.db2.gz CFONNBVOFISHEC-UHFFFAOYSA-N 1 2 396.520 2.285 50 0 GEAALO CCc1ccc(C[N@H+]2CCc3c(C(=O)NCCn4cnnc4)csc3C2)nc1 ZINC000426382857 529644497 /nfs/dbraw/zinc/64/44/97/529644497.db2.gz CFONNBVOFISHEC-UHFFFAOYSA-N 1 2 396.520 2.285 50 0 GEAALO COCCNC(=O)CSc1[nH+]cnc2c1cnn2-c1ccc(Cl)cc1 ZINC000004341682 531512516 /nfs/dbraw/zinc/51/25/16/531512516.db2.gz YTWOFQSLZDMZRJ-UHFFFAOYSA-N 1 2 377.857 2.324 50 0 GEAALO Cc1cc(N)nc(SCC(=O)N(C)CC(=O)Nc2ccccc2Cl)[nH+]1 ZINC000007049060 531537153 /nfs/dbraw/zinc/53/71/53/531537153.db2.gz TVGGLUXDIZRPGH-UHFFFAOYSA-N 1 2 379.873 2.210 50 0 GEAALO CCOc1cc(S(=O)(=O)N2CC[NH+](CC)CC2)ccc1Br ZINC000036051294 531658965 /nfs/dbraw/zinc/65/89/65/531658965.db2.gz VBWZULZWNDKVMX-UHFFFAOYSA-N 1 2 377.304 2.174 50 0 GEAALO CC1(C)C[NH+]=C(N2CCN(S(=O)(=O)c3cccc(F)c3F)CC2)S1 ZINC000079062471 531921586 /nfs/dbraw/zinc/92/15/86/531921586.db2.gz CBRFYUIFCBGTBJ-UHFFFAOYSA-N 1 2 375.466 2.153 50 0 GEAALO O=S(=O)(NCCNc1cc(-n2cccc2)nc[nH+]1)c1ccccc1Cl ZINC000090607841 531924582 /nfs/dbraw/zinc/92/45/82/531924582.db2.gz IXNLMUSBZHDLPB-UHFFFAOYSA-N 1 2 377.857 2.311 50 0 GEAALO O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CC[NH+](C2CCOCC2)CC1 ZINC000139726634 532293787 /nfs/dbraw/zinc/29/37/87/532293787.db2.gz KVMYOWWLGRASFT-UHFFFAOYSA-N 1 2 379.309 2.479 50 0 GEAALO Cn1ncc(Br)c1C[N@@H+]1CCC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC000225623621 532487349 /nfs/dbraw/zinc/48/73/49/532487349.db2.gz NPWREPAKPBIVPH-SECBINFHSA-N 1 2 383.212 2.073 50 0 GEAALO Cn1ncc(Br)c1C[N@H+]1CCC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC000225623621 532487360 /nfs/dbraw/zinc/48/73/60/532487360.db2.gz NPWREPAKPBIVPH-SECBINFHSA-N 1 2 383.212 2.073 50 0 GEAALO C[N@H+](CC(=O)Nc1ccccc1C(=O)NC1CC1)Cc1ccc2c(c1)OCO2 ZINC000007641501 221004092 /nfs/dbraw/zinc/00/40/92/221004092.db2.gz RSZQCCKBFZTWHA-UHFFFAOYSA-N 1 2 381.432 2.378 50 0 GEAALO C[N@@H+](CC(=O)Nc1ccccc1C(=O)NC1CC1)Cc1ccc2c(c1)OCO2 ZINC000007641501 221004094 /nfs/dbraw/zinc/00/40/94/221004094.db2.gz RSZQCCKBFZTWHA-UHFFFAOYSA-N 1 2 381.432 2.378 50 0 GEAALO CC(=O)c1cc2c(cc1NC(=O)C[N@@H+](C)Cc1ccc3c(c1)OCO3)OCO2 ZINC000007641557 221004288 /nfs/dbraw/zinc/00/42/88/221004288.db2.gz SUFDINZAMJLNRB-UHFFFAOYSA-N 1 2 384.388 2.417 50 0 GEAALO CC(=O)c1cc2c(cc1NC(=O)C[N@H+](C)Cc1ccc3c(c1)OCO3)OCO2 ZINC000007641557 221004289 /nfs/dbraw/zinc/00/42/89/221004289.db2.gz SUFDINZAMJLNRB-UHFFFAOYSA-N 1 2 384.388 2.417 50 0 GEAALO Cc1ccc2[nH+]c(CN3CCN(C(=O)[C@H]4COc5ccccc5O4)CC3)cn2c1 ZINC000007985948 221018891 /nfs/dbraw/zinc/01/88/91/221018891.db2.gz NJDWDXIIAOVENK-HXUWFJFHSA-N 1 2 392.459 2.127 50 0 GEAALO O=C(c1cc2ccccc2oc1=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000008778600 221058442 /nfs/dbraw/zinc/05/84/42/221058442.db2.gz GJAFNTWCYRVZFH-UHFFFAOYSA-N 1 2 388.427 2.399 50 0 GEAALO CCCn1c(=O)c2c(nc3n2[C@H](C)C(C)=[NH+]N3Cc2ccc(F)cc2)n(C)c1=O ZINC000008724924 221052278 /nfs/dbraw/zinc/05/22/78/221052278.db2.gz CCFDTPFJIZBUJI-CYBMUJFWSA-N 1 2 398.442 2.403 50 0 GEAALO O=C(COc1ccccc1)NCCn1ncc2c1nc[nH+]c2N1CCCCCC1 ZINC000011666003 221119767 /nfs/dbraw/zinc/11/97/67/221119767.db2.gz OSHHIVIEOLQUJJ-UHFFFAOYSA-N 1 2 394.479 2.402 50 0 GEAALO CN(CCc1ccccn1)c1[nH+]cccc1CNC(=O)c1cn2cccnc2n1 ZINC000011664596 221120673 /nfs/dbraw/zinc/12/06/73/221120673.db2.gz LHSPBXNFKRAZHL-UHFFFAOYSA-N 1 2 387.447 2.128 50 0 GEAALO COc1cccc(C[N@@H+]2CCNC(=O)[C@H]2CC(=O)N(C)CCc2ccccc2)c1 ZINC000011952288 221141390 /nfs/dbraw/zinc/14/13/90/221141390.db2.gz UDNYLHUNIDINDL-OAQYLSRUSA-N 1 2 395.503 2.087 50 0 GEAALO COc1cccc(C[N@H+]2CCNC(=O)[C@H]2CC(=O)N(C)CCc2ccccc2)c1 ZINC000011952288 221141394 /nfs/dbraw/zinc/14/13/94/221141394.db2.gz UDNYLHUNIDINDL-OAQYLSRUSA-N 1 2 395.503 2.087 50 0 GEAALO COC(=O)C1CCN(C(=O)c2cc(Cn3c(C)[nH+]c4ccccc43)n[nH]2)CC1 ZINC000012433307 221193027 /nfs/dbraw/zinc/19/30/27/221193027.db2.gz NTOFRDPVUKQAAS-UHFFFAOYSA-N 1 2 381.436 2.141 50 0 GEAALO COc1ccccc1CNC(=O)C[C@@H]1C(=O)NCC[N@H+]1Cc1ccccc1C ZINC000012437943 221194168 /nfs/dbraw/zinc/19/41/68/221194168.db2.gz NNZSOEBYMNEXRF-LJQANCHMSA-N 1 2 381.476 2.011 50 0 GEAALO COc1ccccc1CNC(=O)C[C@@H]1C(=O)NCC[N@@H+]1Cc1ccccc1C ZINC000012437943 221194170 /nfs/dbraw/zinc/19/41/70/221194170.db2.gz NNZSOEBYMNEXRF-LJQANCHMSA-N 1 2 381.476 2.011 50 0 GEAALO CCOC(=O)c1c(NC(=O)CSc2nc(N)cc(C)[nH+]2)oc(C)c1C(C)=O ZINC000012549345 221205014 /nfs/dbraw/zinc/20/50/14/221205014.db2.gz URUJZPAZCSHMCJ-UHFFFAOYSA-N 1 2 392.437 2.379 50 0 GEAALO Cc1ccccc1C[N@@H+]1CCNC(=O)[C@H]1CC(=O)NCc1ccc(F)cc1F ZINC000012570808 221209085 /nfs/dbraw/zinc/20/90/85/221209085.db2.gz HKALCILHYUTGHY-LJQANCHMSA-N 1 2 387.430 2.280 50 0 GEAALO Cc1ccccc1C[N@H+]1CCNC(=O)[C@H]1CC(=O)NCc1ccc(F)cc1F ZINC000012570808 221209090 /nfs/dbraw/zinc/20/90/90/221209090.db2.gz HKALCILHYUTGHY-LJQANCHMSA-N 1 2 387.430 2.280 50 0 GEAALO O=C(c1cn(CCCc2ccccc2)nn1)N1CCN(c2cccc[nH+]2)CC1 ZINC000012385476 221187757 /nfs/dbraw/zinc/18/77/57/221187757.db2.gz XNOHEGDUIJPTHG-UHFFFAOYSA-N 1 2 376.464 2.268 50 0 GEAALO CC1CC[NH+](Cc2nnnn2CCCC(=O)NCC[C@@H]2C[C@@H]3C=C[C@H]2C3)CC1 ZINC000012594790 221212395 /nfs/dbraw/zinc/21/23/95/221212395.db2.gz GXFMMWVTHMBAFY-CEXWTWQISA-N 1 2 386.544 2.404 50 0 GEAALO O=C(NCc1cccc(OC(F)(F)F)c1)c1cc(C[N@H+]2CCC[C@H](O)C2)on1 ZINC000012597240 221213527 /nfs/dbraw/zinc/21/35/27/221213527.db2.gz BHGMKZSWGUADPQ-ZDUSSCGKSA-N 1 2 399.369 2.460 50 0 GEAALO O=C(NCc1cccc(OC(F)(F)F)c1)c1cc(C[N@@H+]2CCC[C@H](O)C2)on1 ZINC000012597240 221213531 /nfs/dbraw/zinc/21/35/31/221213531.db2.gz BHGMKZSWGUADPQ-ZDUSSCGKSA-N 1 2 399.369 2.460 50 0 GEAALO C[C@@]1(c2ccc3c(c2)OCCO3)NC(=O)N(Cc2cn3ccccc3[nH+]2)C1=O ZINC000012627410 221216028 /nfs/dbraw/zinc/21/60/28/221216028.db2.gz WACVWMSHRQDPTB-FQEVSTJZSA-N 1 2 378.388 2.073 50 0 GEAALO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc(S(C)(=O)=O)cc1)c1ccc(F)cc1 ZINC000012629865 221216172 /nfs/dbraw/zinc/21/61/72/221216172.db2.gz JOEPCODSYIHCFD-KRWDZBQOSA-N 1 2 387.436 2.482 50 0 GEAALO CC(C)[C@@H](CNS(=O)(=O)c1ccc(C(F)(F)F)cc1)[NH+]1CCOCC1 ZINC000012753091 221225216 /nfs/dbraw/zinc/22/52/16/221225216.db2.gz AQWGFOXBJYFRAQ-OAHLLOKOSA-N 1 2 380.432 2.341 50 0 GEAALO CCN(C(=O)[C@@H](C)[N@H+](C)Cc1ccc(SC)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000012795400 221232376 /nfs/dbraw/zinc/23/23/76/221232376.db2.gz HPVMOMKZFOGECM-GDBMZVCRSA-N 1 2 384.567 2.264 50 0 GEAALO CCN(C(=O)[C@@H](C)[N@@H+](C)Cc1ccc(SC)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000012795400 221232378 /nfs/dbraw/zinc/23/23/78/221232378.db2.gz HPVMOMKZFOGECM-GDBMZVCRSA-N 1 2 384.567 2.264 50 0 GEAALO C=C1c2ccccc2C(=O)N1CC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000012824297 221237537 /nfs/dbraw/zinc/23/75/37/221237537.db2.gz ROWSNGJKNDZXFF-NRFANRHFSA-N 1 2 391.471 2.303 50 0 GEAALO O=S(=O)(c1ccc(NCc2cc[nH+]c(N3CCCC3)c2)nc1)N1CCCC1 ZINC000012986851 221253398 /nfs/dbraw/zinc/25/33/98/221253398.db2.gz OQPJNNRAXZZDOS-UHFFFAOYSA-N 1 2 387.509 2.473 50 0 GEAALO COc1ccc(CC(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c(OC)c1 ZINC000013023750 221259396 /nfs/dbraw/zinc/25/93/96/221259396.db2.gz RUCOYXBJBTXWRG-UHFFFAOYSA-N 1 2 398.459 2.319 50 0 GEAALO COc1ccccc1N1CC[NH+](CC(=O)NC(=O)Nc2ccccc2F)CC1 ZINC000013137383 221263222 /nfs/dbraw/zinc/26/32/22/221263222.db2.gz QOVZJEBXJUCSPW-UHFFFAOYSA-N 1 2 386.427 2.305 50 0 GEAALO C[C@H]([NH2+][C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1ccc(F)cc1)c1ccccc1 ZINC000013371466 221267906 /nfs/dbraw/zinc/26/79/06/221267906.db2.gz YRPOJJVXMWOENX-KKXDTOCCSA-N 1 2 397.493 2.116 50 0 GEAALO COc1ccccc1N1C[C@H](C(=O)N2CC[NH+](Cc3cccs3)CC2)CC1=O ZINC000014139685 221300469 /nfs/dbraw/zinc/30/04/69/221300469.db2.gz NNRZERYYKLSZDQ-MRXNPFEDSA-N 1 2 399.516 2.454 50 0 GEAALO O=C([C@@H]1CCN(c2ccc(Cl)cc2)C1=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000015782655 221344630 /nfs/dbraw/zinc/34/46/30/221344630.db2.gz ZILBBQJFNMCGIJ-KRWDZBQOSA-N 1 2 384.867 2.437 50 0 GEAALO COc1ccccc1N1C(=O)C[C@H]([NH+]2CCN(c3ccc(F)cc3)CC2)C1=O ZINC000018137168 221387340 /nfs/dbraw/zinc/38/73/40/221387340.db2.gz CYQOVTBHGWBDFO-SFHVURJKSA-N 1 2 383.423 2.288 50 0 GEAALO NC(=O)c1ccccc1NC(=O)CN1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000020508741 221495854 /nfs/dbraw/zinc/49/58/54/221495854.db2.gz FBGISGXKYINSJP-RMKNXTFCSA-N 1 2 378.476 2.055 50 0 GEAALO O=C(C[NH+]1CCN(c2ccccc2)CC1)NC[C@H]1CCN(c2ccccc2)C1 ZINC000051129397 132439047 /nfs/dbraw/zinc/43/90/47/132439047.db2.gz YFZKFYBWMHCSPI-HXUWFJFHSA-N 1 2 378.520 2.451 50 0 GEAALO O=C(Nc1ccc2c[nH]nc2c1)[C@H]1CCCN(c2ccc(-n3cc[nH+]c3)nn2)C1 ZINC000062022887 136156363 /nfs/dbraw/zinc/15/63/63/136156363.db2.gz ZTDPWQTZUAXKMV-HNNXBMFYSA-N 1 2 388.435 2.394 50 0 GEAALO COc1ccc(CC[N@H+](C)[C@@H]2CCCN(c3ncccc3C(N)=O)C2)cc1OC ZINC000072156605 136167067 /nfs/dbraw/zinc/16/70/67/136167067.db2.gz WXSQJRPENBHUSF-QGZVFWFLSA-N 1 2 398.507 2.341 50 0 GEAALO COc1ccc(CC[N@@H+](C)[C@@H]2CCCN(c3ncccc3C(N)=O)C2)cc1OC ZINC000072156605 136167068 /nfs/dbraw/zinc/16/70/68/136167068.db2.gz WXSQJRPENBHUSF-QGZVFWFLSA-N 1 2 398.507 2.341 50 0 GEAALO O=C([C@H]1CC(=O)N(Cc2ccccc2Cl)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000007737004 136195505 /nfs/dbraw/zinc/19/55/05/136195505.db2.gz BEYNKESFUYOTMM-KRWDZBQOSA-N 1 2 398.894 2.432 50 0 GEAALO COc1ccccc1C[NH+]1CCN(CC(=O)Nc2cccc3nsnc32)CC1 ZINC000022752168 221568017 /nfs/dbraw/zinc/56/80/17/221568017.db2.gz RNENAFMUJKFBEU-UHFFFAOYSA-N 1 2 397.504 2.456 50 0 GEAALO Cc1cc2[nH+]cn(C[C@@H](O)CN3C(=O)N[C@@](C)(c4ccccc4)C3=O)c2cc1C ZINC000051127369 222003802 /nfs/dbraw/zinc/00/38/02/222003802.db2.gz ZCFSHFRHTLRPLK-VGSWGCGISA-N 1 2 392.459 2.481 50 0 GEAALO O=c1nc2n(CC[NH+]3CCOCC3)c3ccccc3n2nc1-c1ccccc1 ZINC000051325926 222004150 /nfs/dbraw/zinc/00/41/50/222004150.db2.gz VICILHIWVHXIQZ-UHFFFAOYSA-N 1 2 375.432 2.043 50 0 GEAALO O=C(C1CC[NH+](CN2C(=O)NC3(CCCCC3)C2=O)CC1)N1CCCCCC1 ZINC000052583715 222006833 /nfs/dbraw/zinc/00/68/33/222006833.db2.gz YFUBTPWILJVASK-UHFFFAOYSA-N 1 2 390.528 2.313 50 0 GEAALO COc1ccc(CCC(=O)N2CC[NH+]([C@H](C)C(=O)NC(C)(C)C)CC2)cc1 ZINC000058179648 222043292 /nfs/dbraw/zinc/04/32/92/222043292.db2.gz HVNVBOFQLASFBA-MRXNPFEDSA-N 1 2 375.513 2.075 50 0 GEAALO Cc1ccc2[nH+]c(CNC(=O)[C@@H]3CCCN3C(=O)Cc3ccccc3)cn2c1 ZINC000058209223 222046128 /nfs/dbraw/zinc/04/61/28/222046128.db2.gz PVHMYZKEVQHKLP-IBGZPJMESA-N 1 2 376.460 2.493 50 0 GEAALO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)CC1 ZINC000060093179 222058206 /nfs/dbraw/zinc/05/82/06/222058206.db2.gz UJPGDBPGKVIKHY-KRWDZBQOSA-N 1 2 389.540 2.422 50 0 GEAALO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)CC1 ZINC000060093179 222058209 /nfs/dbraw/zinc/05/82/09/222058209.db2.gz UJPGDBPGKVIKHY-KRWDZBQOSA-N 1 2 389.540 2.422 50 0 GEAALO COc1ccc(OC)c(S(=O)(=O)NCCn2c(C)[nH+]c3ccccc32)c1 ZINC000064888083 222086552 /nfs/dbraw/zinc/08/65/52/222086552.db2.gz VYFPJGSQBJEEBY-UHFFFAOYSA-N 1 2 375.450 2.340 50 0 GEAALO Cc1nc(CN2CC[NH+](Cc3cccc(C(=O)Nc4cccnc4)c3)CC2)no1 ZINC000065381003 222126433 /nfs/dbraw/zinc/12/64/33/222126433.db2.gz SSZRHXMQTFVCME-UHFFFAOYSA-N 1 2 392.463 2.343 50 0 GEAALO CN(Cc1ccoc1)C(=O)[C@@H]1C[C@H](NC(=O)c2cccc(Cl)c2)C[N@@H+]1C ZINC000067489952 222148253 /nfs/dbraw/zinc/14/82/53/222148253.db2.gz PIVINDVGZNUTES-IRXDYDNUSA-N 1 2 375.856 2.394 50 0 GEAALO CN(Cc1ccoc1)C(=O)[C@@H]1C[C@H](NC(=O)c2cccc(Cl)c2)C[N@H+]1C ZINC000067489952 222148256 /nfs/dbraw/zinc/14/82/56/222148256.db2.gz PIVINDVGZNUTES-IRXDYDNUSA-N 1 2 375.856 2.394 50 0 GEAALO COc1ccc(OCc2cc(C(=O)NCCn3cc[nH+]c3)[nH]n2)c(Cl)c1 ZINC000067604876 222150700 /nfs/dbraw/zinc/15/07/00/222150700.db2.gz XUECUJDGFYMCRP-UHFFFAOYSA-N 1 2 375.816 2.277 50 0 GEAALO CN(CCc1ccccn1)c1[nH+]cccc1CNC(=O)c1c(O)cccc1O ZINC000067677119 222153942 /nfs/dbraw/zinc/15/39/42/222153942.db2.gz DJKUZNLLLPRHRX-UHFFFAOYSA-N 1 2 378.432 2.497 50 0 GEAALO Cc1noc(C[N@@H+](C)C[C@]2(O)CCCN(Cc3ccc(C(C)C)cc3)C2=O)n1 ZINC000067725475 222155507 /nfs/dbraw/zinc/15/55/07/222155507.db2.gz NRXTWDXDBJMPQM-OAQYLSRUSA-N 1 2 386.496 2.487 50 0 GEAALO Cc1noc(C[N@H+](C)C[C@]2(O)CCCN(Cc3ccc(C(C)C)cc3)C2=O)n1 ZINC000067725475 222155509 /nfs/dbraw/zinc/15/55/09/222155509.db2.gz NRXTWDXDBJMPQM-OAQYLSRUSA-N 1 2 386.496 2.487 50 0 GEAALO CCc1c[nH+]c(C)nc1N1CCC(n2cc(C(=O)N3CCCCC3)nn2)CC1 ZINC000067934468 222167240 /nfs/dbraw/zinc/16/72/40/222167240.db2.gz ZUAWDMBLEGGKBM-UHFFFAOYSA-N 1 2 383.500 2.407 50 0 GEAALO COc1cc2c(cc1C[N@@H+]1CCOC[C@H]1CC(=O)N1CCSCC1)CCC2 ZINC000072479188 222267540 /nfs/dbraw/zinc/26/75/40/222267540.db2.gz YZHNKIZADTXCSQ-LJQANCHMSA-N 1 2 390.549 2.350 50 0 GEAALO COc1cc2c(cc1C[N@H+]1CCOC[C@H]1CC(=O)N1CCSCC1)CCC2 ZINC000072479188 222267544 /nfs/dbraw/zinc/26/75/44/222267544.db2.gz YZHNKIZADTXCSQ-LJQANCHMSA-N 1 2 390.549 2.350 50 0 GEAALO Cc1ccc(NC(=O)N2CC[N@@H+](CC(C)C)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1C ZINC000072407691 222255256 /nfs/dbraw/zinc/25/52/56/222255256.db2.gz KHDIVLDFBVILOL-MSOLQXFVSA-N 1 2 379.526 2.275 50 0 GEAALO Cc1ccc(NC(=O)N2CC[N@H+](CC(C)C)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1C ZINC000072407691 222255259 /nfs/dbraw/zinc/25/52/59/222255259.db2.gz KHDIVLDFBVILOL-MSOLQXFVSA-N 1 2 379.526 2.275 50 0 GEAALO O=C(Cc1ccsc1)N1CCC2(CC1)c1[nH+]c[nH]c1CCN2C(=O)C1CC1 ZINC000095497408 222332173 /nfs/dbraw/zinc/33/21/73/222332173.db2.gz YZNOFFQXMXIEFT-UHFFFAOYSA-N 1 2 384.505 2.326 50 0 GEAALO Cc1cc(C)n(CC(=O)N2CCC(c3[nH+]ccn3CC3CCC3)CC2)c(=O)n1 ZINC000095505729 222338555 /nfs/dbraw/zinc/33/85/55/222338555.db2.gz YQCDVLOTHLEIGB-UHFFFAOYSA-N 1 2 383.496 2.263 50 0 GEAALO O=C(CCC1CCN(C(=O)c2ccc3[nH+]ccn3c2)CC1)NC[C@H]1CCCO1 ZINC000095512644 222341775 /nfs/dbraw/zinc/34/17/75/222341775.db2.gz TZKAFKCNSVCKRQ-GOSISDBHSA-N 1 2 384.480 2.262 50 0 GEAALO O=C([C@@H](c1ccccc1)n1cnnn1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000080336816 222306397 /nfs/dbraw/zinc/30/63/97/222306397.db2.gz YCKBTUDDTDXRIX-TYOLEZHBSA-N 1 2 388.475 2.120 50 0 GEAALO O=C(NCCCn1cc[nH+]c1)c1cn(Cc2ccccn2)c(=O)c2ccccc12 ZINC000079502129 222306498 /nfs/dbraw/zinc/30/64/98/222306498.db2.gz CSWHYRKUSKOKKS-UHFFFAOYSA-N 1 2 387.443 2.461 50 0 GEAALO O=C(Cc1cccs1)N1CCC[C@@]2(CCC(=O)N(CCc3c[nH+]c[nH]3)C2)C1 ZINC000082106632 222308560 /nfs/dbraw/zinc/30/85/60/222308560.db2.gz NDDXKSLGHOTRSR-HXUWFJFHSA-N 1 2 386.521 2.488 50 0 GEAALO O=C(Cc1cccs1)N1CCC[C@@]2(CCC(=O)N(CCc3c[nH]c[nH+]3)C2)C1 ZINC000082106632 222308563 /nfs/dbraw/zinc/30/85/63/222308563.db2.gz NDDXKSLGHOTRSR-HXUWFJFHSA-N 1 2 386.521 2.488 50 0 GEAALO CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cnc(C[NH+]2CCCC2)s1 ZINC000082121859 222311331 /nfs/dbraw/zinc/31/13/31/222311331.db2.gz CFQZEUPJVMVEOB-UHFFFAOYSA-N 1 2 383.477 2.248 50 0 GEAALO COc1ccc(C(=O)N2CCC[C@H](c3[nH+]ccn3CC(N)=O)C2)cc1Cl ZINC000095519170 222344727 /nfs/dbraw/zinc/34/47/27/222344727.db2.gz YMGHMKXEKBMBAQ-ZDUSSCGKSA-N 1 2 376.844 2.050 50 0 GEAALO Cn1cc[nH+]c1CCNC(=O)c1cccc(OC2CCN(C(=O)C3CC3)CC2)c1 ZINC000095522886 222348146 /nfs/dbraw/zinc/34/81/46/222348146.db2.gz LQQHGQWIIVJXGH-UHFFFAOYSA-N 1 2 396.491 2.172 50 0 GEAALO CCC(=O)N1CCc2[nH]c[nH+]c2C12CCN(C(=O)c1cc(C)ccc1O)CC2 ZINC000095525117 222348876 /nfs/dbraw/zinc/34/88/76/222348876.db2.gz BSGXIMJIDOMLFK-UHFFFAOYSA-N 1 2 382.464 2.350 50 0 GEAALO CC(C)n1cc[nH+]c1[C@H]1CCCN(C(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)C1 ZINC000095524558 222349406 /nfs/dbraw/zinc/34/94/06/222349406.db2.gz YRKLGJQUGZUGEU-AWEZNQCLSA-N 1 2 381.436 2.014 50 0 GEAALO Cc1[nH+]c[nH]c1CNC(=O)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1 ZINC000095527756 222350910 /nfs/dbraw/zinc/35/09/10/222350910.db2.gz QAMJHNMYZPXKKU-UHFFFAOYSA-N 1 2 382.464 2.428 50 0 GEAALO CCc1ncc(C[NH+]2CCC3(CC2)c2[nH]cnc2CCN3C(=O)C2CC2)cn1 ZINC000095528881 222353483 /nfs/dbraw/zinc/35/34/83/222353483.db2.gz NYYYPCXNZMSQHY-UHFFFAOYSA-N 1 2 380.496 2.048 50 0 GEAALO O=C(c1nnc2n1CCCC2)N1CCC[C@@H](c2[nH+]ccn2Cc2ccncc2)C1 ZINC000095531459 222354759 /nfs/dbraw/zinc/35/47/59/222354759.db2.gz RPMZNPVVPRLYAE-QGZVFWFLSA-N 1 2 391.479 2.274 50 0 GEAALO CC(=O)N1CCc2cc(S(=O)(=O)NCc3cccc(-c4[nH]cc[nH+]4)c3)ccc21 ZINC000096008950 222370906 /nfs/dbraw/zinc/37/09/06/222370906.db2.gz OQAAWBSAVDIYNS-UHFFFAOYSA-N 1 2 396.472 2.464 50 0 GEAALO CSc1ncc(CNC(=O)Nc2ccccc2C[NH+]2CCOCC2)n1C ZINC000096136656 222386306 /nfs/dbraw/zinc/38/63/06/222386306.db2.gz OWJVHQWVSAEWKF-UHFFFAOYSA-N 1 2 375.498 2.296 50 0 GEAALO CC(=O)N[C@@H](C(=O)N1CCC(c2[nH+]ccn2Cc2ccncc2)CC1)C(C)C ZINC000095522104 222346005 /nfs/dbraw/zinc/34/60/05/222346005.db2.gz YZOXTEUXESAEFU-LJQANCHMSA-N 1 2 383.496 2.193 50 0 GEAALO Cc1nc(C[N@@H+]2CC[C@@H](NC(=O)c3nc4cc(C)ccc4[nH]3)[C@H](O)C2)cs1 ZINC000426555749 534363693 /nfs/dbraw/zinc/36/36/93/534363693.db2.gz AFLIARDPDFMZRJ-NVXWUHKLSA-N 1 2 385.493 2.001 50 0 GEAALO Cc1nc(C[N@H+]2CC[C@@H](NC(=O)c3nc4cc(C)ccc4[nH]3)[C@H](O)C2)cs1 ZINC000426555749 534363699 /nfs/dbraw/zinc/36/36/99/534363699.db2.gz AFLIARDPDFMZRJ-NVXWUHKLSA-N 1 2 385.493 2.001 50 0 GEAALO Cc1nc(C[N@@H+]2CC[C@@H](NC(=O)c3nc4ccc(C)cc4[nH]3)[C@H](O)C2)cs1 ZINC000426555749 534363704 /nfs/dbraw/zinc/36/37/04/534363704.db2.gz AFLIARDPDFMZRJ-NVXWUHKLSA-N 1 2 385.493 2.001 50 0 GEAALO Cc1nc(C[N@H+]2CC[C@@H](NC(=O)c3nc4ccc(C)cc4[nH]3)[C@H](O)C2)cs1 ZINC000426555749 534363711 /nfs/dbraw/zinc/36/37/11/534363711.db2.gz AFLIARDPDFMZRJ-NVXWUHKLSA-N 1 2 385.493 2.001 50 0 GEAALO Cc1nnc(CNC(=O)c2csc3c2CC[N@H+](Cc2c(C)noc2C)C3)[nH]1 ZINC000426529317 534383307 /nfs/dbraw/zinc/38/33/07/534383307.db2.gz NWYFLFNJSQOPRZ-UHFFFAOYSA-N 1 2 386.481 2.268 50 0 GEAALO Cc1nnc(CNC(=O)c2csc3c2CC[N@@H+](Cc2c(C)noc2C)C3)[nH]1 ZINC000426529317 534383313 /nfs/dbraw/zinc/38/33/13/534383313.db2.gz NWYFLFNJSQOPRZ-UHFFFAOYSA-N 1 2 386.481 2.268 50 0 GEAALO COc1ccccc1N1CC[NH+]([C@@H]2CC(=O)N(CCc3ccccc3)C2=O)CC1 ZINC000000805931 524559634 /nfs/dbraw/zinc/55/96/34/524559634.db2.gz CBGIJVKDSLXFPW-HXUWFJFHSA-N 1 2 393.487 2.187 50 0 GEAALO CCCc1cc(N2CC[C@H]([NH+]3CCOCC3)[C@H](CCC(=O)[O-])C2)nc(C)[nH+]1 ZINC000091713641 535400290 /nfs/dbraw/zinc/40/02/90/535400290.db2.gz PUSRMUKDWMUUCL-AEFFLSMTSA-N 1 2 376.501 2.129 50 0 GEAALO C[C@@H]1CCCN(C(=O)C2CC[NH+](CCS(=O)(=O)c3ccccc3)CC2)C1 ZINC000048046556 570217549 /nfs/dbraw/zinc/21/75/49/570217549.db2.gz IEFDKQONWHBIGH-QGZVFWFLSA-N 1 2 378.538 2.431 50 0 GEAALO C[C@H]1CCCN(C(=O)C2CC[NH+](CCS(=O)(=O)c3ccccc3)CC2)C1 ZINC000048046557 570217674 /nfs/dbraw/zinc/21/76/74/570217674.db2.gz IEFDKQONWHBIGH-KRWDZBQOSA-N 1 2 378.538 2.431 50 0 GEAALO COc1cccc(OC)c1C(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000019773746 570218052 /nfs/dbraw/zinc/21/80/52/570218052.db2.gz LEYFAHXUUFDOGS-UHFFFAOYSA-N 1 2 384.432 2.391 50 0 GEAALO O=C(C[N@@H+](Cc1ccc(F)cc1)C1CCCCC1)N[C@@H]1CCS(=O)(=O)C1 ZINC000032513550 570219761 /nfs/dbraw/zinc/21/97/61/570219761.db2.gz QBFWZBGCHPDOSK-QGZVFWFLSA-N 1 2 382.501 2.264 50 0 GEAALO O=C(C[N@H+](Cc1ccc(F)cc1)C1CCCCC1)N[C@@H]1CCS(=O)(=O)C1 ZINC000032513550 570219762 /nfs/dbraw/zinc/21/97/62/570219762.db2.gz QBFWZBGCHPDOSK-QGZVFWFLSA-N 1 2 382.501 2.264 50 0 GEAALO COc1ccc(CC(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1OC ZINC000019808264 570220821 /nfs/dbraw/zinc/22/08/21/570220821.db2.gz YRNCLUVVXRLLPY-UHFFFAOYSA-N 1 2 398.459 2.319 50 0 GEAALO COc1ccc(CN2C(=O)C[C@H]([NH+]3CCN(c4ccc(F)cc4)CC3)C2=O)cc1 ZINC000019877460 570227074 /nfs/dbraw/zinc/22/70/74/570227074.db2.gz PBLGGLHYGLZBTK-FQEVSTJZSA-N 1 2 397.450 2.284 50 0 GEAALO COc1ccc(OCC(=O)NCC2(N3CC[NH+](C)CC3)CCCCC2)cc1 ZINC000019902154 570228832 /nfs/dbraw/zinc/22/88/32/570228832.db2.gz DVKUULDMIOXLFZ-UHFFFAOYSA-N 1 2 375.513 2.141 50 0 GEAALO Cn1ncc2c1nc[nH+]c2SCC(=O)NCC1(c2ccccc2)CCOCC1 ZINC000048366000 570245999 /nfs/dbraw/zinc/24/59/99/570245999.db2.gz HFMMRUZMHKMUBM-UHFFFAOYSA-N 1 2 397.504 2.320 50 0 GEAALO O=C(c1cn(CC[NH+]2CCOCC2)nn1)N1CCC[C@@H](c2ccccc2)CC1 ZINC000020211763 570248270 /nfs/dbraw/zinc/24/82/70/570248270.db2.gz RQHRVXYYMWGIOW-LJQANCHMSA-N 1 2 383.496 2.020 50 0 GEAALO CCC(NCCC[NH+](C)C)=C1C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000020289005 570251341 /nfs/dbraw/zinc/25/13/41/570251341.db2.gz PLIXLBJKCWCLPP-CCEZHUSRSA-N 1 2 378.860 2.128 50 0 GEAALO CCOc1ccc(NC(=O)c2cn(-c3cc(N4CCOCC4)[nH+]cn3)cn2)cc1 ZINC000049411272 570266515 /nfs/dbraw/zinc/26/65/15/570266515.db2.gz MXFMBYZLTIMMRN-UHFFFAOYSA-N 1 2 394.435 2.150 50 0 GEAALO O=C1Nc2ccccc2[C@]12Nc1ccccc1C(=O)N2CCC[NH+]1CCOCC1 ZINC000101450741 570283547 /nfs/dbraw/zinc/28/35/47/570283547.db2.gz KXNVHSUFEUSDHI-JOCHJYFZSA-N 1 2 392.459 2.082 50 0 GEAALO Cc1ccc(Oc2ccc(C[NH+]3CCN(S(N)(=O)=O)CC3)cc2)cc1C ZINC000215142432 570286105 /nfs/dbraw/zinc/28/61/05/570286105.db2.gz XAYNNCJXRCIWEZ-UHFFFAOYSA-N 1 2 375.494 2.417 50 0 GEAALO CCOC(=O)C1=C(C[N@H+](C)CCOc2ccc(C)cc2)NC(=O)N[C@H]1CC ZINC000021672963 570294115 /nfs/dbraw/zinc/29/41/15/570294115.db2.gz RCQPFAUOLBUASS-INIZCTEOSA-N 1 2 375.469 2.214 50 0 GEAALO CCOC(=O)C1=C(C[N@@H+](C)CCOc2ccc(C)cc2)NC(=O)N[C@H]1CC ZINC000021672963 570294116 /nfs/dbraw/zinc/29/41/16/570294116.db2.gz RCQPFAUOLBUASS-INIZCTEOSA-N 1 2 375.469 2.214 50 0 GEAALO Cn1cc[nH+]c1[C@@H](NC(=O)COC(=O)c1ccc(F)cc1N)c1ccccc1 ZINC000022202515 570307156 /nfs/dbraw/zinc/30/71/56/570307156.db2.gz HHHXQBVTUNGMJV-SFHVURJKSA-N 1 2 382.395 2.204 50 0 GEAALO Cc1c(Cl)c(C(F)(F)F)nn1[C@H](C)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000022363029 570314349 /nfs/dbraw/zinc/31/43/49/570314349.db2.gz NCOMFOYYIDWEAR-MWLCHTKSSA-N 1 2 382.814 2.262 50 0 GEAALO CCc1ccccc1NC(=O)CN1CC[NH+](CC(=O)N2CCC[C@H](C)C2)CC1 ZINC000022786780 570327520 /nfs/dbraw/zinc/32/75/20/570327520.db2.gz CEBQUMDSYZEIER-SFHVURJKSA-N 1 2 386.540 2.064 50 0 GEAALO Cc1cc(=O)c(C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)nn1-c1ccccc1F ZINC000023609085 570328062 /nfs/dbraw/zinc/32/80/62/570328062.db2.gz YUIKPQXELUGNKN-UHFFFAOYSA-N 1 2 399.451 2.377 50 0 GEAALO Cc1cc(=O)c(C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)nn1-c1ccccc1F ZINC000023609085 570328065 /nfs/dbraw/zinc/32/80/65/570328065.db2.gz YUIKPQXELUGNKN-UHFFFAOYSA-N 1 2 399.451 2.377 50 0 GEAALO C[C@@H](C(=O)N(C)Cc1ccccc1)[NH+]1CCN(Cc2cn3ccccc3n2)CC1 ZINC000022926309 570336090 /nfs/dbraw/zinc/33/60/90/570336090.db2.gz UEIZJVSQPSYHAP-IBGZPJMESA-N 1 2 391.519 2.499 50 0 GEAALO CN(C)C(=O)[C@@H](c1ccccc1)[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000023291423 570354234 /nfs/dbraw/zinc/35/42/34/570354234.db2.gz VYLPPTQRWNSGQU-OAQYLSRUSA-N 1 2 381.476 2.362 50 0 GEAALO CN(C)C(=O)[C@@H](c1ccccc1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000023291423 570354237 /nfs/dbraw/zinc/35/42/37/570354237.db2.gz VYLPPTQRWNSGQU-OAQYLSRUSA-N 1 2 381.476 2.362 50 0 GEAALO Cn1c2nc(C[NH+]3CCCCC3)n(CCCc3ccccc3)c2c(=O)n(C)c1=O ZINC000004103535 570357455 /nfs/dbraw/zinc/35/74/55/570357455.db2.gz MATNVDGFLMKNBU-UHFFFAOYSA-N 1 2 395.507 2.052 50 0 GEAALO CCN1CC[NH+](C2(C(=O)NCC[C@H]3CCCCO3)Cc3ccccc3C2)CC1 ZINC000023374751 570358392 /nfs/dbraw/zinc/35/83/92/570358392.db2.gz WAJWBAZXEALFPA-OAQYLSRUSA-N 1 2 385.552 2.237 50 0 GEAALO C[NH+](C)c1ccc(N[C@@H]2CC(=O)N(c3ccc(N4CCOCC4)cc3)C2=O)cc1 ZINC000004317744 570367544 /nfs/dbraw/zinc/36/75/44/570367544.db2.gz YVGJFWWFKFMIQK-HXUWFJFHSA-N 1 2 394.475 2.333 50 0 GEAALO COc1ccc(C[NH+]2CCN(C(=O)Cc3cn4ccsc4n3)CC2)cc1F ZINC000023737951 570371138 /nfs/dbraw/zinc/37/11/38/570371138.db2.gz FOKXDTDBJRQPHU-UHFFFAOYSA-N 1 2 388.468 2.430 50 0 GEAALO Cc1cccc2nc(C(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)cn21 ZINC000024573989 570385959 /nfs/dbraw/zinc/38/59/59/570385959.db2.gz GIXGRTJHLNDXNR-UHFFFAOYSA-N 1 2 378.432 2.329 50 0 GEAALO Cc1[nH+]c2ccccc2n1CC(=O)N1CCCn2nc([C@@H](O)C3CC3)cc2C1 ZINC000221209052 570391760 /nfs/dbraw/zinc/39/17/60/570391760.db2.gz YWZRETYWVJUZCA-NRFANRHFSA-N 1 2 379.464 2.417 50 0 GEAALO COc1ccc([C@@H](CNc2nnnn2-c2ccccc2)[NH+]2CCOCC2)cc1 ZINC000025784700 570419762 /nfs/dbraw/zinc/41/97/62/570419762.db2.gz BUWHUGQJQADDET-LJQANCHMSA-N 1 2 380.452 2.156 50 0 GEAALO COc1ccc(CCNC(=S)N2CCN(c3cccc[nH+]3)CC2)cc1OC ZINC000005041202 570425564 /nfs/dbraw/zinc/42/55/64/570425564.db2.gz LKSDMZQLBFJEBQ-UHFFFAOYSA-N 1 2 386.521 2.338 50 0 GEAALO CN(C)C(=O)[C@H](c1ccccc1)[NH+]1CCN(Cc2ccc3c(c2)OCCO3)CC1 ZINC000026845367 570429329 /nfs/dbraw/zinc/42/93/29/570429329.db2.gz VXOUZWSVNSKYHJ-QFIPXVFZSA-N 1 2 395.503 2.405 50 0 GEAALO CN(C)C(=O)[C@H](c1ccccc1)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000026845367 570429331 /nfs/dbraw/zinc/42/93/31/570429331.db2.gz VXOUZWSVNSKYHJ-QFIPXVFZSA-N 1 2 395.503 2.405 50 0 GEAALO O=C1C[N@H+](Cc2ccc(OC(F)(F)F)cc2)C[C@H](O)CN1Cc1cccnc1 ZINC000014535213 570449038 /nfs/dbraw/zinc/44/90/38/570449038.db2.gz HREGIFZXSUOGSN-INIZCTEOSA-N 1 2 395.381 2.186 50 0 GEAALO O=C1C[N@@H+](Cc2ccc(OC(F)(F)F)cc2)C[C@H](O)CN1Cc1cccnc1 ZINC000014535213 570449042 /nfs/dbraw/zinc/44/90/42/570449042.db2.gz HREGIFZXSUOGSN-INIZCTEOSA-N 1 2 395.381 2.186 50 0 GEAALO CNS(=O)(=O)c1cc(C(=O)Nc2ccc(-n3cc[nH+]c3)nc2)ccc1Cl ZINC000028094604 570451098 /nfs/dbraw/zinc/45/10/98/570451098.db2.gz ZOWQSQQNFHRGLQ-UHFFFAOYSA-N 1 2 391.840 2.081 50 0 GEAALO C[C@H](C(=O)NCc1cccc(S(N)(=O)=O)c1)n1cc[nH+]c1-c1ccccc1 ZINC000089478864 570455436 /nfs/dbraw/zinc/45/54/36/570455436.db2.gz VNFGVWGCVBXYIR-CQSZACIVSA-N 1 2 384.461 2.075 50 0 GEAALO Cn1cc[nH+]c1[C@H](NC(=O)Cc1n[nH]c(=O)c2ccccc12)c1cccc(F)c1 ZINC000029080442 570468303 /nfs/dbraw/zinc/46/83/03/570468303.db2.gz GSEPAPJPTIXEQB-LJQANCHMSA-N 1 2 391.406 2.244 50 0 GEAALO C[C@H](Oc1ncccc1C(=O)NCC[N@@H+]1CCOC(C)(C)C1)C(F)(F)F ZINC000252493965 570476072 /nfs/dbraw/zinc/47/60/72/570476072.db2.gz NHNICGFVNRZQCF-LBPRGKRZSA-N 1 2 375.391 2.252 50 0 GEAALO C[C@H](Oc1ncccc1C(=O)NCC[N@H+]1CCOC(C)(C)C1)C(F)(F)F ZINC000252493965 570476078 /nfs/dbraw/zinc/47/60/78/570476078.db2.gz NHNICGFVNRZQCF-LBPRGKRZSA-N 1 2 375.391 2.252 50 0 GEAALO CC(C)c1ccc(NC(=O)[C@@H](C)N2CC[NH+](CC(=O)N3CCCC3)CC2)cc1 ZINC000022788082 570546946 /nfs/dbraw/zinc/54/69/46/570546946.db2.gz INCVFZVGDGLMBW-GOSISDBHSA-N 1 2 386.540 2.377 50 0 GEAALO COC(=O)c1csc(N2[NH2+]C3=C(COc4ccccc43)[C@]2(O)C(F)(F)F)n1 ZINC000005275042 570548000 /nfs/dbraw/zinc/54/80/00/570548000.db2.gz HCNVRRYNDYLIDJ-VFZGTOFNSA-N 1 2 399.350 2.414 50 0 GEAALO O=C(Nc1ccc2c(c1)OCO2)N1CCN(c2cc(N3CCCC3)[nH+]cn2)CC1 ZINC000036708259 570568159 /nfs/dbraw/zinc/56/81/59/570568159.db2.gz VHGYAVBOUNZQAV-UHFFFAOYSA-N 1 2 396.451 2.160 50 0 GEAALO O=C(Nc1ccc2c(c1)OCO2)N1CCN(c2cc(N3CCCC3)nc[nH+]2)CC1 ZINC000036708259 570568160 /nfs/dbraw/zinc/56/81/60/570568160.db2.gz VHGYAVBOUNZQAV-UHFFFAOYSA-N 1 2 396.451 2.160 50 0 GEAALO O=c1ccc(=O)n(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)[nH]1 ZINC000022924075 570576193 /nfs/dbraw/zinc/57/61/93/570576193.db2.gz AWXAUJBMMKPREU-UHFFFAOYSA-N 1 2 376.460 2.314 50 0 GEAALO O=C(CCc1ccc(F)c(F)c1)N1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC000046322070 570651392 /nfs/dbraw/zinc/65/13/92/570651392.db2.gz JJAATVLJWVVZRH-UHFFFAOYSA-N 1 2 379.451 2.054 50 0 GEAALO C[N@H+](CC(=O)N[C@@H](c1ccc2c(c1)CCO2)[C@H]1C[C@@H](O)C1)Cc1ccccn1 ZINC000244701011 570694605 /nfs/dbraw/zinc/69/46/05/570694605.db2.gz JYIBVZRMISFGGM-KPLVRAHFSA-N 1 2 381.476 2.077 50 0 GEAALO C[N@@H+](CC(=O)N[C@@H](c1ccc2c(c1)CCO2)[C@H]1C[C@@H](O)C1)Cc1ccccn1 ZINC000244701011 570694612 /nfs/dbraw/zinc/69/46/12/570694612.db2.gz JYIBVZRMISFGGM-KPLVRAHFSA-N 1 2 381.476 2.077 50 0 GEAALO COCc1nnc(NC(=O)C[N@@H+]2CCCN(c3ccccc3C)CC2)s1 ZINC000244707945 570695300 /nfs/dbraw/zinc/69/53/00/570695300.db2.gz KKQIEQBHSVKAHT-UHFFFAOYSA-N 1 2 375.498 2.144 50 0 GEAALO COCc1nnc(NC(=O)C[N@H+]2CCCN(c3ccccc3C)CC2)s1 ZINC000244707945 570695304 /nfs/dbraw/zinc/69/53/04/570695304.db2.gz KKQIEQBHSVKAHT-UHFFFAOYSA-N 1 2 375.498 2.144 50 0 GEAALO Cc1c(NC(=O)C[NH+]2CCC(C(=O)N(C)Cc3ccccc3)CC2)cnn1C ZINC000244708029 570695414 /nfs/dbraw/zinc/69/54/14/570695414.db2.gz KMHBLLZYVQWQPD-UHFFFAOYSA-N 1 2 383.496 2.038 50 0 GEAALO O=C(CS(=O)(=O)CCCc1ccccc1)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000032637529 570711857 /nfs/dbraw/zinc/71/18/57/570711857.db2.gz XYKPDHKVCAJOBT-UHFFFAOYSA-N 1 2 384.461 2.253 50 0 GEAALO COc1ccc(C(=O)N2CCC[N@@H+]([C@H]3CCN(CC4CC4)C3=O)CC2)c(C)c1 ZINC000097945177 570756191 /nfs/dbraw/zinc/75/61/91/570756191.db2.gz ZHRSVFPMWRRWOV-FQEVSTJZSA-N 1 2 385.508 2.162 50 0 GEAALO COc1ccc(C(=O)N2CCC[N@H+]([C@H]3CCN(CC4CC4)C3=O)CC2)c(C)c1 ZINC000097945177 570756193 /nfs/dbraw/zinc/75/61/93/570756193.db2.gz ZHRSVFPMWRRWOV-FQEVSTJZSA-N 1 2 385.508 2.162 50 0 GEAALO O=C(Nc1ccccc1)[C@H]1CCCN(c2cc(N3CCC[C@@H]3CO)nc[nH+]2)C1 ZINC000169983614 570776979 /nfs/dbraw/zinc/77/69/79/570776979.db2.gz DOPAFZYRIPPEEL-FUHWJXTLSA-N 1 2 381.480 2.293 50 0 GEAALO O=C(Nc1ccccc1)[C@H]1CCCN(c2cc(N3CCC[C@@H]3CO)[nH+]cn2)C1 ZINC000169983614 570776981 /nfs/dbraw/zinc/77/69/81/570776981.db2.gz DOPAFZYRIPPEEL-FUHWJXTLSA-N 1 2 381.480 2.293 50 0 GEAALO Cn1cc[nH+]c1[C@@H](NC(=O)CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)c1ccccc1 ZINC000101861244 570837876 /nfs/dbraw/zinc/83/78/76/570837876.db2.gz IFOOIYJJIZRSKX-SCTDSRPQSA-N 1 2 394.475 2.191 50 0 GEAALO COc1cc(C)c(C[N@H+](C)CC(=O)Nc2sccc2C(N)=O)cc1OC ZINC000007453286 570844949 /nfs/dbraw/zinc/84/49/49/570844949.db2.gz JJHYSBYSXAKRDM-UHFFFAOYSA-N 1 2 377.466 2.243 50 0 GEAALO COc1cc(C)c(C[N@@H+](C)CC(=O)Nc2sccc2C(N)=O)cc1OC ZINC000007453286 570844954 /nfs/dbraw/zinc/84/49/54/570844954.db2.gz JJHYSBYSXAKRDM-UHFFFAOYSA-N 1 2 377.466 2.243 50 0 GEAALO C[C@@H](NC(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000102835349 570866736 /nfs/dbraw/zinc/86/67/36/570866736.db2.gz POHJUTVUVRZQLJ-OLMNPRSZSA-N 1 2 380.448 2.225 50 0 GEAALO Cc1nn(-c2ccc(C(F)(F)F)cn2)c(C)c1CC(=O)NCCn1cc[nH+]c1 ZINC000044326649 570875796 /nfs/dbraw/zinc/87/57/96/570875796.db2.gz YFALDRAVGRALMA-UHFFFAOYSA-N 1 2 392.385 2.458 50 0 GEAALO C[C@H]1Oc2ccc(NC(=O)c3ccccc3C[NH+]3CCOCC3)cc2NC1=O ZINC000097212586 570908165 /nfs/dbraw/zinc/90/81/65/570908165.db2.gz PGBILDALLTXLFT-CQSZACIVSA-N 1 2 381.432 2.491 50 0 GEAALO CCn1cc(-c2cc(C(=O)NCC[NH+]3CCOCC3)c3ccccc3n2)cn1 ZINC000020614049 570952100 /nfs/dbraw/zinc/95/21/00/570952100.db2.gz ITFIESXJECQOEB-UHFFFAOYSA-N 1 2 379.464 2.180 50 0 GEAALO CCCC[C@H](CC)CNC(=O)COCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000004739547 570953743 /nfs/dbraw/zinc/95/37/43/570953743.db2.gz QZEXSPKTMARNNL-SFHVURJKSA-N 1 2 390.528 2.079 50 0 GEAALO O=C(C[NH+]1CCN(c2cc(Oc3cccc(F)c3)ncn2)CC1)N1CCCC1 ZINC000037378457 570980476 /nfs/dbraw/zinc/98/04/76/570980476.db2.gz LSTMFXGBFLOMGK-UHFFFAOYSA-N 1 2 385.443 2.152 50 0 GEAALO CCc1[nH+]c(C)ccc1OCC(=O)N1CC[C@@](O)(C2CCOCC2)[C@H](C)C1 ZINC000091452221 571008857 /nfs/dbraw/zinc/00/88/57/571008857.db2.gz JPJSTORNRYJAEL-VFNWGFHPSA-N 1 2 376.497 2.357 50 0 GEAALO O=C(CC(F)(F)F)N1CCC2(CCC(=O)N(CCCn3cc[nH+]c3)C2)CC1 ZINC000091664681 571024762 /nfs/dbraw/zinc/02/47/62/571024762.db2.gz ICDKMNPBTCXVML-UHFFFAOYSA-N 1 2 386.418 2.457 50 0 GEAALO Cc1cccc(C(=O)N2CCC[C@]3(CCC(=O)N(CCc4c[nH+]c[nH]4)C3)C2)n1 ZINC000091665258 571024798 /nfs/dbraw/zinc/02/47/98/571024798.db2.gz AUJLKHCFVMHPAO-OAQYLSRUSA-N 1 2 381.480 2.201 50 0 GEAALO Cc1cccc(C(=O)N2CCC[C@]3(CCC(=O)N(CCc4c[nH]c[nH+]4)C3)C2)n1 ZINC000091665258 571024800 /nfs/dbraw/zinc/02/48/00/571024800.db2.gz AUJLKHCFVMHPAO-OAQYLSRUSA-N 1 2 381.480 2.201 50 0 GEAALO COc1ccc(C(=O)N2CCC3(CC2)c2[nH+]c[nH]c2CCN3C(C)=O)cc1F ZINC000091746119 571028825 /nfs/dbraw/zinc/02/88/25/571028825.db2.gz RWQLYLTVJDYHMQ-UHFFFAOYSA-N 1 2 386.427 2.094 50 0 GEAALO O=C(c1ccccc1O)N1CCC[C@]2(CCC(=O)N(CCc3c[nH+]c[nH]3)C2)C1 ZINC000091849252 571033088 /nfs/dbraw/zinc/03/30/88/571033088.db2.gz ZTSWXRYIJLIHAV-OAQYLSRUSA-N 1 2 382.464 2.203 50 0 GEAALO O=C(c1ccccc1O)N1CCC[C@]2(CCC(=O)N(CCc3c[nH]c[nH+]3)C2)C1 ZINC000091849252 571033091 /nfs/dbraw/zinc/03/30/91/571033091.db2.gz ZTSWXRYIJLIHAV-OAQYLSRUSA-N 1 2 382.464 2.203 50 0 GEAALO O=C(c1ccco1)N1CCc2[nH+]c(N3CCCCC3)nc(N3CCOCC3)c2C1 ZINC000037580636 571034399 /nfs/dbraw/zinc/03/43/99/571034399.db2.gz BZFUWQIYFCCZRS-UHFFFAOYSA-N 1 2 397.479 2.095 50 0 GEAALO O=C(Cc1ccccc1)N1CCC[C@]2(CCC(=O)N(CCc3c[nH+]c[nH]3)C2)C1 ZINC000091997642 571039401 /nfs/dbraw/zinc/03/94/01/571039401.db2.gz BOANFAFZCVIDCT-QFIPXVFZSA-N 1 2 380.492 2.426 50 0 GEAALO O=C(Cc1ccccc1)N1CCC[C@]2(CCC(=O)N(CCc3c[nH]c[nH+]3)C2)C1 ZINC000091997642 571039403 /nfs/dbraw/zinc/03/94/03/571039403.db2.gz BOANFAFZCVIDCT-QFIPXVFZSA-N 1 2 380.492 2.426 50 0 GEAALO COCCn1cc[nH+]c1C1CCN(S(=O)(=O)c2cccc(OC)c2)CC1 ZINC000092061802 571043082 /nfs/dbraw/zinc/04/30/82/571043082.db2.gz GNHBEKJFKZZWTA-UHFFFAOYSA-N 1 2 379.482 2.106 50 0 GEAALO COC(=O)c1sccc1S(=O)(=O)NCC1CCN(c2cccc[nH+]2)CC1 ZINC000043955304 571049113 /nfs/dbraw/zinc/04/91/13/571049113.db2.gz WGFCQHHOKNLIRR-UHFFFAOYSA-N 1 2 395.506 2.125 50 0 GEAALO C[C@@H](NC(=O)N1CC[NH+](Cc2ccco2)CC1)c1nc(-c2ccncc2)no1 ZINC000426507839 231231604 /nfs/dbraw/zinc/23/16/04/231231604.db2.gz GRGFCLAHILTNMS-CQSZACIVSA-N 1 2 382.424 2.313 50 0 GEAALO Cc1sc2[nH]c(SCC(=O)NCCCn3cc[nH+]c3)nc(=O)c2c1C ZINC000008996974 531546733 /nfs/dbraw/zinc/54/67/33/531546733.db2.gz QWEGZTIHKTZSRS-UHFFFAOYSA-N 1 2 377.495 2.097 50 0 GEAALO CC[NH+]1CCN(S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)on3)o2)CC1 ZINC000096323205 531933672 /nfs/dbraw/zinc/93/36/72/531933672.db2.gz IFAYKDVNNDCCFW-UHFFFAOYSA-N 1 2 379.360 2.280 50 0 GEAALO O=C(NC1CC[NH+](Cc2nnn3c2CO[C@@H](c2ccc(F)cc2)C3)CC1)C1CC1 ZINC000263618414 212142951 /nfs/dbraw/zinc/14/29/51/212142951.db2.gz SXIGTWZUNKWNBC-HXUWFJFHSA-N 1 2 399.470 2.179 50 0 GEAALO COc1ccc(C[N@@H+]2CCN(Cc3cccc(C)n3)[C@@H](CCO)C2)c(OC)c1 ZINC000023372946 212105575 /nfs/dbraw/zinc/10/55/75/212105575.db2.gz XJVFNDWUSNFMOG-FQEVSTJZSA-N 1 2 385.508 2.476 50 0 GEAALO COc1ccc(C[N@H+]2CCN(Cc3cccc(C)n3)[C@@H](CCO)C2)c(OC)c1 ZINC000023372946 212105578 /nfs/dbraw/zinc/10/55/78/212105578.db2.gz XJVFNDWUSNFMOG-FQEVSTJZSA-N 1 2 385.508 2.476 50 0 GEAALO O=C(C[NH+]1CCC(n2c(=O)[nH]c3ccccc32)CC1)Nc1ccc2c(c1)OCO2 ZINC000008076513 221026259 /nfs/dbraw/zinc/02/62/59/221026259.db2.gz DATNTENGHZXBGU-UHFFFAOYSA-N 1 2 394.431 2.334 50 0 GEAALO O=C(CSc1n[nH]c(-c2cccs2)n1)N1CCN(c2cccc[nH+]2)CC1 ZINC000008157257 221029801 /nfs/dbraw/zinc/02/98/01/221029801.db2.gz WFWVCZCBICOTEF-UHFFFAOYSA-N 1 2 386.506 2.369 50 0 GEAALO CCOC(=O)C1=C(CSc2nc(N)cc(C)[nH+]2)NC(=O)N[C@H]1c1ccccc1 ZINC000008725789 221052446 /nfs/dbraw/zinc/05/24/46/221052446.db2.gz WCELNLYZMRADDO-INIZCTEOSA-N 1 2 399.476 2.331 50 0 GEAALO Cc1ccc(C[N@@H+]2CCNC(=O)[C@H]2CC(=O)N(C)CCc2ccccc2)cc1 ZINC000011880085 221134882 /nfs/dbraw/zinc/13/48/82/221134882.db2.gz RCRISMWMBXHKKZ-OAQYLSRUSA-N 1 2 379.504 2.387 50 0 GEAALO Cc1ccc(C[N@H+]2CCNC(=O)[C@H]2CC(=O)N(C)CCc2ccccc2)cc1 ZINC000011880085 221134886 /nfs/dbraw/zinc/13/48/86/221134886.db2.gz RCRISMWMBXHKKZ-OAQYLSRUSA-N 1 2 379.504 2.387 50 0 GEAALO C[C@H](NC(=O)CCCn1nnnc1C[NH+]1CCC(C)CC1)c1nccs1 ZINC000011879986 221134944 /nfs/dbraw/zinc/13/49/44/221134944.db2.gz SUXDHNOBIBWNKJ-AWEZNQCLSA-N 1 2 377.518 2.019 50 0 GEAALO CC(=O)N[C@@H](CC(=O)NCc1ccc(N2CCOCC2)[nH+]c1)c1ccc(C)cc1 ZINC000011130190 221111140 /nfs/dbraw/zinc/11/11/40/221111140.db2.gz CNVMVUYOAOLSQW-FQEVSTJZSA-N 1 2 396.491 2.110 50 0 GEAALO CN(Cc1ccccc1)c1[nH+]cccc1CNC(=O)C[C@H]1CCS(=O)(=O)C1 ZINC000011753443 221122800 /nfs/dbraw/zinc/12/28/00/221122800.db2.gz FSUSEBUSXPGQFP-QGZVFWFLSA-N 1 2 387.505 2.159 50 0 GEAALO CN(CCn1cc[nH+]c1)C(=O)c1cccc(OC2CCN(C(=O)C3CC3)CC2)c1 ZINC000011935073 221139456 /nfs/dbraw/zinc/13/94/56/221139456.db2.gz GNXYGNRDUULZKC-UHFFFAOYSA-N 1 2 396.491 2.435 50 0 GEAALO CCOc1ccc(C[N@@H+]2CCNC(=O)[C@@H]2CC(=O)NCc2cccc(F)c2)cc1 ZINC000012073073 221147249 /nfs/dbraw/zinc/14/72/49/221147249.db2.gz AAEYJUBZEVKNIV-FQEVSTJZSA-N 1 2 399.466 2.231 50 0 GEAALO CCOc1ccc(C[N@H+]2CCNC(=O)[C@@H]2CC(=O)NCc2cccc(F)c2)cc1 ZINC000012073073 221147251 /nfs/dbraw/zinc/14/72/51/221147251.db2.gz AAEYJUBZEVKNIV-FQEVSTJZSA-N 1 2 399.466 2.231 50 0 GEAALO COC(=O)[C@H](CC(C)C)NC(=O)c1cc(Cn2c(C)[nH+]c3ccccc32)n[nH]1 ZINC000012316728 221181362 /nfs/dbraw/zinc/18/13/62/221181362.db2.gz PKZHEWQKJQPAQT-KRWDZBQOSA-N 1 2 383.452 2.434 50 0 GEAALO CCn1ccnc1C[NH+]1CCC(Oc2cccc(C(=O)NCCOC)c2)CC1 ZINC000012433666 221193282 /nfs/dbraw/zinc/19/32/82/221193282.db2.gz BAKLCJQQOXRJQK-UHFFFAOYSA-N 1 2 386.496 2.323 50 0 GEAALO CNC(=O)c1ccc(S(=O)(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000012535099 221203143 /nfs/dbraw/zinc/20/31/43/221203143.db2.gz VFZQPALHBDORPL-CQSZACIVSA-N 1 2 384.461 2.271 50 0 GEAALO O=S1(=O)CC[C@@H]([N@@H+](Cc2ccco2)C[C@H](O)COc2ccc(Cl)cc2)C1 ZINC000012389750 221189109 /nfs/dbraw/zinc/18/91/09/221189109.db2.gz QIRXQZKRLNYWBK-CVEARBPZSA-N 1 2 399.896 2.362 50 0 GEAALO O=S1(=O)CC[C@@H]([N@H+](Cc2ccco2)C[C@H](O)COc2ccc(Cl)cc2)C1 ZINC000012389750 221189113 /nfs/dbraw/zinc/18/91/13/221189113.db2.gz QIRXQZKRLNYWBK-CVEARBPZSA-N 1 2 399.896 2.362 50 0 GEAALO CCOc1ccccc1C[N@@H+]1CCNC(=O)[C@@H]1CC(=O)NCc1ccc(F)cc1 ZINC000012595609 221212652 /nfs/dbraw/zinc/21/26/52/221212652.db2.gz GMAVCRDAGFRCOD-IBGZPJMESA-N 1 2 399.466 2.231 50 0 GEAALO CCOc1ccccc1C[N@H+]1CCNC(=O)[C@@H]1CC(=O)NCc1ccc(F)cc1 ZINC000012595609 221212656 /nfs/dbraw/zinc/21/26/56/221212656.db2.gz GMAVCRDAGFRCOD-IBGZPJMESA-N 1 2 399.466 2.231 50 0 GEAALO C[C@]1(c2ccc3c(c2)OCCO3)NC(=O)N(Cc2cn3ccccc3[nH+]2)C1=O ZINC000012627411 221215319 /nfs/dbraw/zinc/21/53/19/221215319.db2.gz WACVWMSHRQDPTB-HXUWFJFHSA-N 1 2 378.388 2.073 50 0 GEAALO CCOC(=O)Nc1ccc(C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)cc1 ZINC000012700840 221218654 /nfs/dbraw/zinc/21/86/54/221218654.db2.gz LVZICZYMHAWXBV-UHFFFAOYSA-N 1 2 384.436 2.417 50 0 GEAALO O=C(C[NH+]1CCN(c2nn3cc(-c4ccccc4)nc3s2)CC1)N1CCCC1 ZINC000012733990 221222205 /nfs/dbraw/zinc/22/22/05/221222205.db2.gz YXGIKJPCKVVNRM-UHFFFAOYSA-N 1 2 396.520 2.202 50 0 GEAALO Cc1cc(N2CCN(CC(=O)NCc3ccc(F)cc3)CC2)nc(C(C)C)[nH+]1 ZINC000012786522 221231750 /nfs/dbraw/zinc/23/17/50/221231750.db2.gz WFVSFCXTYUQIQM-UHFFFAOYSA-N 1 2 385.487 2.486 50 0 GEAALO C[C@H](c1ccc(F)c(F)c1)[N@H+](C)CC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000012942000 221248792 /nfs/dbraw/zinc/24/87/92/221248792.db2.gz BESANAMYCRFDDF-GFCCVEGCSA-N 1 2 394.422 2.244 50 0 GEAALO C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)CC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000012942000 221248795 /nfs/dbraw/zinc/24/87/95/221248795.db2.gz BESANAMYCRFDDF-GFCCVEGCSA-N 1 2 394.422 2.244 50 0 GEAALO Cc1cccc2c(=O)n(CCC(=O)NCc3ccc(N4CCCC4)[nH+]c3)cnc12 ZINC000012948145 221250190 /nfs/dbraw/zinc/25/01/90/221250190.db2.gz ILUWXGCCNYSIMG-UHFFFAOYSA-N 1 2 391.475 2.407 50 0 GEAALO O=C(NC1CC[NH+](CN2C(=O)NC3(CCCCCC3)C2=O)CC1)c1ccccc1 ZINC000013000086 221255601 /nfs/dbraw/zinc/25/56/01/221255601.db2.gz SAWYOUSAXMQLAS-UHFFFAOYSA-N 1 2 398.507 2.483 50 0 GEAALO COc1ccc(C)cc1NC(=O)CNC(=O)C[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000014139373 221301098 /nfs/dbraw/zinc/30/10/98/221301098.db2.gz GNDKMJXBVWIPOQ-ZDUSSCGKSA-N 1 2 387.402 2.333 50 0 GEAALO COc1ccc(C)cc1NC(=O)CNC(=O)C[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000014139373 221301101 /nfs/dbraw/zinc/30/11/01/221301101.db2.gz GNDKMJXBVWIPOQ-ZDUSSCGKSA-N 1 2 387.402 2.333 50 0 GEAALO Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)CCNC(=O)c2ccccc2)cc1 ZINC000014182640 221302340 /nfs/dbraw/zinc/30/23/40/221302340.db2.gz NVPQCLLNTJTMRS-NRFANRHFSA-N 1 2 395.503 2.305 50 0 GEAALO C[NH+]1CCN(S(=O)(=O)c2cccc(C(=O)Nc3cccc(F)c3)c2)CC1 ZINC000014427791 221311150 /nfs/dbraw/zinc/31/11/50/221311150.db2.gz UWYBSZCQKPQATN-UHFFFAOYSA-N 1 2 377.441 2.014 50 0 GEAALO NS(=O)(=O)c1ccc(C[NH2+][C@H](C(=O)N2CCCCC2)c2ccccc2)s1 ZINC000015509942 221335952 /nfs/dbraw/zinc/33/59/52/221335952.db2.gz NWOGTWABXLQAIJ-KRWDZBQOSA-N 1 2 393.534 2.239 50 0 GEAALO CC(C)(C)c1ccc(C(=O)NCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000016638604 221366739 /nfs/dbraw/zinc/36/67/39/221366739.db2.gz PBPZYLFDOGCJFO-UHFFFAOYSA-N 1 2 380.492 2.458 50 0 GEAALO CN(C)C(=O)c1ccc(NC(=O)C[N@H+](C)C[C@@H]2COc3ccccc3O2)cc1 ZINC000016628548 221366994 /nfs/dbraw/zinc/36/69/94/221366994.db2.gz QQABQQGYQKBYPU-QGZVFWFLSA-N 1 2 383.448 2.099 50 0 GEAALO CN(C)C(=O)c1ccc(NC(=O)C[N@@H+](C)C[C@@H]2COc3ccccc3O2)cc1 ZINC000016628548 221366996 /nfs/dbraw/zinc/36/69/96/221366996.db2.gz QQABQQGYQKBYPU-QGZVFWFLSA-N 1 2 383.448 2.099 50 0 GEAALO COC(=O)c1ccc(S(=O)(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2)cc1 ZINC000017521653 221383866 /nfs/dbraw/zinc/38/38/66/221383866.db2.gz HLRKZCOCRJOVBG-QGZVFWFLSA-N 1 2 385.445 2.275 50 0 GEAALO Cc1c(C(N)=O)sc(NC(=O)C[NH+]2CCC(C)CC2)c1C(=O)OC(C)C ZINC000017077998 221377731 /nfs/dbraw/zinc/37/77/31/221377731.db2.gz ABFXIOJHIDTCSP-UHFFFAOYSA-N 1 2 381.498 2.391 50 0 GEAALO C[C@@H](NC(=O)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000018047708 221385692 /nfs/dbraw/zinc/38/56/92/221385692.db2.gz ORRNVKXYSGREIG-OLMNPRSZSA-N 1 2 378.432 2.001 50 0 GEAALO COC(=O)C1CC[NH+]([C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)CC1 ZINC000019592475 221434738 /nfs/dbraw/zinc/43/47/38/221434738.db2.gz JFWWOVYLHMRNMA-CQSZACIVSA-N 1 2 384.354 2.222 50 0 GEAALO CC[NH+](CC)CCNC(C)=C1C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000020792286 221511634 /nfs/dbraw/zinc/51/16/34/221511634.db2.gz PAFYCEJJDLJWBT-NTCAYCPXSA-N 1 2 378.860 2.128 50 0 GEAALO Cc1ccc2cc3c([nH+]c2c1)N1CCCC[C@@H]1C1(C3)C(=O)N(C)C(=O)N(C)C1=O ZINC000057322838 132450429 /nfs/dbraw/zinc/45/04/29/132450429.db2.gz QSQYYMGUPARSTR-QGZVFWFLSA-N 1 2 392.459 2.495 50 0 GEAALO CC(C)[C@H](NC(=O)N1CCN(c2cccc[nH+]2)CC1)C(=O)NCc1ccccc1 ZINC000061721621 136156046 /nfs/dbraw/zinc/15/60/46/136156046.db2.gz DWECSACKBKDNMP-FQEVSTJZSA-N 1 2 395.507 2.254 50 0 GEAALO CCS(=O)(=O)N1CCN(c2cc(C)[nH+]c(Nc3ccc(C)cc3)n2)CC1 ZINC000064800588 136157842 /nfs/dbraw/zinc/15/78/42/136157842.db2.gz XWKUTSOYILMABJ-UHFFFAOYSA-N 1 2 375.498 2.309 50 0 GEAALO O=C(NCc1ccco1)C1CCN(c2cc(N3CCSCC3)nc[nH+]2)CC1 ZINC000065237184 136160843 /nfs/dbraw/zinc/16/08/43/136160843.db2.gz MMTGMOKYMQTYEN-UHFFFAOYSA-N 1 2 387.509 2.156 50 0 GEAALO O=C(NCc1ccco1)C1CCN(c2cc(N3CCSCC3)[nH+]cn2)CC1 ZINC000065237184 136160844 /nfs/dbraw/zinc/16/08/44/136160844.db2.gz MMTGMOKYMQTYEN-UHFFFAOYSA-N 1 2 387.509 2.156 50 0 GEAALO COc1cc(CNC(=O)CCc2cc[nH+]c(N3CCOCC3)c2)cc(OC)c1 ZINC000065269787 136162335 /nfs/dbraw/zinc/16/23/35/136162335.db2.gz ZAYIPQJQAYATRU-UHFFFAOYSA-N 1 2 385.464 2.184 50 0 GEAALO Cc1c(Cl)cccc1NC(=O)Cn1ncc2c1nc[nH+]c2N1CCOCC1 ZINC000065295097 136162784 /nfs/dbraw/zinc/16/27/84/136162784.db2.gz TUPABVOGIXJEJS-UHFFFAOYSA-N 1 2 386.843 2.263 50 0 GEAALO O=C1C[C@H](c2ccc[nH+]c2N2CCOCC2)c2cnn(Cc3ccncc3)c2N1 ZINC000065371595 136163693 /nfs/dbraw/zinc/16/36/93/136163693.db2.gz XLQCRCFBAIKVON-QGZVFWFLSA-N 1 2 390.447 2.032 50 0 GEAALO O=C(N1CCC[C@H]([NH+]2CCN(c3ccc(F)cc3)CC2)C1)C1(O)CCCC1 ZINC000072157940 136167116 /nfs/dbraw/zinc/16/71/16/136167116.db2.gz FBYBBURAYIJSPZ-IBGZPJMESA-N 1 2 375.488 2.244 50 0 GEAALO CCN(CC)c1ncc2c(n1)CC[C@@H](C(=O)N1CCN(c3cccc[nH+]3)CC1)C2 ZINC000096310481 136186328 /nfs/dbraw/zinc/18/63/28/136186328.db2.gz VDBISGBAFURSRY-QGZVFWFLSA-N 1 2 394.523 2.172 50 0 GEAALO COc1ccccc1N1C(=O)C[C@@H]([NH+]2CCN(c3ccc(F)cc3)CC2)C1=O ZINC000100308905 136189143 /nfs/dbraw/zinc/18/91/43/136189143.db2.gz CYQOVTBHGWBDFO-GOSISDBHSA-N 1 2 383.423 2.288 50 0 GEAALO O=S(=O)(c1ccc(NCc2ccc(-n3cc[nH+]c3)nc2)nc1)N1CCCC1 ZINC000022318847 221558237 /nfs/dbraw/zinc/55/82/37/221558237.db2.gz DQSIUKIUPVNBMO-UHFFFAOYSA-N 1 2 384.465 2.059 50 0 GEAALO CCNC(=O)NC(=O)[C@@H]([NH2+]CC(=O)Nc1c(C)cccc1C)c1ccccc1 ZINC000024097121 221608579 /nfs/dbraw/zinc/60/85/79/221608579.db2.gz PKJNFCDIJWBDCL-IBGZPJMESA-N 1 2 382.464 2.419 50 0 GEAALO CC(=O)N1c2ccc(S(=O)(=O)NCCc3cn4ccccc4[nH+]3)cc2C[C@@H]1C ZINC000024471818 221614924 /nfs/dbraw/zinc/61/49/24/221614924.db2.gz STEJNNFZUSEDBX-AWEZNQCLSA-N 1 2 398.488 2.153 50 0 GEAALO Cc1[nH]c2ccccc2c1C(=O)C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000030636674 221700605 /nfs/dbraw/zinc/70/06/05/221700605.db2.gz MUOCROHSECYNTD-UHFFFAOYSA-N 1 2 378.432 2.207 50 0 GEAALO CC(C)CN1C(=O)c2ccc(C(=O)N3CCN(c4cccc[nH+]4)CC3)cc2C1=O ZINC000031809296 221713858 /nfs/dbraw/zinc/71/38/58/221713858.db2.gz OUAUOGNUUWUGIR-UHFFFAOYSA-N 1 2 392.459 2.296 50 0 GEAALO COc1ccc(F)cc1S(=O)(=O)N1CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000038489491 221880234 /nfs/dbraw/zinc/88/02/34/221880234.db2.gz NAZQQRNJSZIJGF-UHFFFAOYSA-N 1 2 390.440 2.222 50 0 GEAALO CCOC(=O)C1=C(C[NH+]2CCSCC2)NC(=O)N[C@H]1c1cccc(F)c1 ZINC000057415639 222031222 /nfs/dbraw/zinc/03/12/22/222031222.db2.gz NCDOVPAQBQVUQF-INIZCTEOSA-N 1 2 379.457 2.046 50 0 GEAALO CC(C)Oc1ccc(C(=O)N2CC[NH+](CCNC(=O)c3ccncc3)CC2)cc1 ZINC000055558939 222021944 /nfs/dbraw/zinc/02/19/44/222021944.db2.gz HRJHEQCNHGEIIC-UHFFFAOYSA-N 1 2 396.491 2.057 50 0 GEAALO Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C(C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000058195843 222043360 /nfs/dbraw/zinc/04/33/60/222043360.db2.gz ANVWQEZFTKMBQK-FUHIMQAGSA-N 1 2 375.513 2.492 50 0 GEAALO Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000058195843 222043365 /nfs/dbraw/zinc/04/33/65/222043365.db2.gz ANVWQEZFTKMBQK-FUHIMQAGSA-N 1 2 375.513 2.492 50 0 GEAALO COc1ccc(C[NH+]2CCN(C(=O)CNC(=O)CCC(C)C)CC2)cc1F ZINC000058332204 222048840 /nfs/dbraw/zinc/04/88/40/222048840.db2.gz HXTUHGSFUPISKR-UHFFFAOYSA-N 1 2 379.476 2.031 50 0 GEAALO Cc1ccc(-c2cc3c(=O)n(Cc4noc(C[NH+]5CCCC5)n4)ccn3n2)cc1 ZINC000065235784 222112598 /nfs/dbraw/zinc/11/25/98/222112598.db2.gz HFXQJCQRJXZKAQ-UHFFFAOYSA-N 1 2 390.447 2.499 50 0 GEAALO Cc1ccc(CNC(=O)[C@@H]2C[C@@H](n3cnnn3)C[N@@H+]2Cc2ccccc2F)cc1 ZINC000064015148 222069105 /nfs/dbraw/zinc/06/91/05/222069105.db2.gz MWYHCPNRSWKZTI-QUCCMNQESA-N 1 2 394.454 2.253 50 0 GEAALO Cc1ccc(CNC(=O)[C@@H]2C[C@@H](n3cnnn3)C[N@H+]2Cc2ccccc2F)cc1 ZINC000064015148 222069108 /nfs/dbraw/zinc/06/91/08/222069108.db2.gz MWYHCPNRSWKZTI-QUCCMNQESA-N 1 2 394.454 2.253 50 0 GEAALO O=c1c2cc(-c3ccccc3)nn2ccn1Cc1noc(C[NH+]2CCCC2)n1 ZINC000065235922 222113242 /nfs/dbraw/zinc/11/32/42/222113242.db2.gz GZBJOWUJZYUPCH-UHFFFAOYSA-N 1 2 376.420 2.190 50 0 GEAALO O=C(Nc1ccc2c(c1)OCO2)c1cn(-c2cc(N3CCCC3)[nH+]cn2)cn1 ZINC000065239833 222115134 /nfs/dbraw/zinc/11/51/34/222115134.db2.gz DQPUHXWOYLDBPU-UHFFFAOYSA-N 1 2 378.392 2.244 50 0 GEAALO CCCn1cc[nH+]c1[C@H]1CC(=O)Nc2cc(NS(C)(=O)=O)c(OC)cc21 ZINC000065403267 222127495 /nfs/dbraw/zinc/12/74/95/222127495.db2.gz DGKRUOOSTRPZHJ-LBPRGKRZSA-N 1 2 378.454 2.147 50 0 GEAALO CCCn1cc[nH+]c1[C@@H]1CC(=O)Nc2cc(NS(C)(=O)=O)c(OC)cc21 ZINC000065403266 222128160 /nfs/dbraw/zinc/12/81/60/222128160.db2.gz DGKRUOOSTRPZHJ-GFCCVEGCSA-N 1 2 378.454 2.147 50 0 GEAALO O=C(c1cc2n(n1)CCN(Cc1ccccc1)C2)N1CC[C@H](n2cc[nH+]c2)C1 ZINC000065407631 222128658 /nfs/dbraw/zinc/12/86/58/222128658.db2.gz QJRAFSDFGMGSCS-SFHVURJKSA-N 1 2 376.464 2.183 50 0 GEAALO CC[N@H+](Cc1cccc(C(=O)Nc2nccs2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000067641770 222151543 /nfs/dbraw/zinc/15/15/43/222151543.db2.gz UESMUYUHPZWRSY-HNNXBMFYSA-N 1 2 379.507 2.404 50 0 GEAALO CC[N@@H+](Cc1cccc(C(=O)Nc2nccs2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000067641770 222151544 /nfs/dbraw/zinc/15/15/44/222151544.db2.gz UESMUYUHPZWRSY-HNNXBMFYSA-N 1 2 379.507 2.404 50 0 GEAALO CN(c1cccc(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c1)S(C)(=O)=O ZINC000067621848 222152810 /nfs/dbraw/zinc/15/28/10/222152810.db2.gz SQYBVGBMJIWQBP-UHFFFAOYSA-N 1 2 384.461 2.198 50 0 GEAALO CN(C[C@@H]1COc2ccccc2O1)C(=O)c1ccc(NCc2[nH]cc[nH+]2)nc1 ZINC000067673256 222153209 /nfs/dbraw/zinc/15/32/09/222153209.db2.gz JBPWBERRIGKMEL-OAHLLOKOSA-N 1 2 379.420 2.329 50 0 GEAALO CC(C)C[C@@]1(C(=O)[O-])C[C@H](C(=O)N(C)Cc2[nH]cc[nH+]2)[C@H](c2cccnc2)[N@@H+]1C ZINC000067769661 222159461 /nfs/dbraw/zinc/15/94/61/222159461.db2.gz INAUBPCHJOIMIE-MDKPJZGXSA-N 1 2 399.495 2.326 50 0 GEAALO CC(C)C[C@@]1(C(=O)[O-])C[C@H](C(=O)N(C)Cc2[nH]cc[nH+]2)[C@H](c2cccnc2)[N@H+]1C ZINC000067769661 222159464 /nfs/dbraw/zinc/15/94/64/222159464.db2.gz INAUBPCHJOIMIE-MDKPJZGXSA-N 1 2 399.495 2.326 50 0 GEAALO O=C(C[N@@H+]1CCc2onc(-c3ccc4c(c3)OCO4)c2C1)NCc1ccco1 ZINC000067855366 222164012 /nfs/dbraw/zinc/16/40/12/222164012.db2.gz BDIDTJFEXREPDV-UHFFFAOYSA-N 1 2 381.388 2.338 50 0 GEAALO O=C(C[N@H+]1CCc2onc(-c3ccc4c(c3)OCO4)c2C1)NCc1ccco1 ZINC000067855366 222164015 /nfs/dbraw/zinc/16/40/15/222164015.db2.gz BDIDTJFEXREPDV-UHFFFAOYSA-N 1 2 381.388 2.338 50 0 GEAALO COc1ccc2c(c1)[C@@H](C(=O)NCc1cccnc1-n1cc[nH+]c1)CC(=O)N2 ZINC000067908065 222166813 /nfs/dbraw/zinc/16/68/13/222166813.db2.gz PDVVOLOCVSSAND-INIZCTEOSA-N 1 2 377.404 2.018 50 0 GEAALO Cc1noc2nc(C)cc(C(=O)NCc3ccc[nH+]c3N3CCC[C@@H](O)C3)c12 ZINC000067954725 222169806 /nfs/dbraw/zinc/16/98/06/222169806.db2.gz FITZYUCQYFUPHW-OAHLLOKOSA-N 1 2 381.436 2.126 50 0 GEAALO Cc1n[nH]c(SCC(=O)N2C[C@@H](c3ccccc3)[C@@H]3[C@H]2C2CC[NH+]3CC2)n1 ZINC000071415776 222182851 /nfs/dbraw/zinc/18/28/51/222182851.db2.gz HWXIQTADTXRGTA-QXAKKESOSA-N 1 2 383.521 2.294 50 0 GEAALO C[NH+]1CCN(S(=O)(=O)c2cc(C(=O)N3CCCCCC3)ccc2Cl)CC1 ZINC000071754844 222192227 /nfs/dbraw/zinc/19/22/27/222192227.db2.gz NNCRYLFQNLVIOZ-UHFFFAOYSA-N 1 2 399.944 2.292 50 0 GEAALO Cc1nonc1C[N@@H+](C)C[C@]1(O)CCCN(Cc2ccc(C(C)C)cc2)C1=O ZINC000071765361 222195642 /nfs/dbraw/zinc/19/56/42/222195642.db2.gz HNTBPNBIDJRKKX-OAQYLSRUSA-N 1 2 386.496 2.487 50 0 GEAALO Cc1nonc1C[N@H+](C)C[C@]1(O)CCCN(Cc2ccc(C(C)C)cc2)C1=O ZINC000071765361 222195644 /nfs/dbraw/zinc/19/56/44/222195644.db2.gz HNTBPNBIDJRKKX-OAQYLSRUSA-N 1 2 386.496 2.487 50 0 GEAALO CN(CCc1ccccc1)C(=O)c1nc2sccn2c1C[N@@H+]1CC[C@H](O)C1 ZINC000071771869 222196103 /nfs/dbraw/zinc/19/61/03/222196103.db2.gz QZWTWXNHRXZVOI-INIZCTEOSA-N 1 2 384.505 2.277 50 0 GEAALO CN(CCc1ccccc1)C(=O)c1nc2sccn2c1C[N@H+]1CC[C@H](O)C1 ZINC000071771869 222196106 /nfs/dbraw/zinc/19/61/06/222196106.db2.gz QZWTWXNHRXZVOI-INIZCTEOSA-N 1 2 384.505 2.277 50 0 GEAALO O=C([O-])c1ccc(C[NH+]2CCC([N@@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)cc1 ZINC000071765373 222196218 /nfs/dbraw/zinc/19/62/18/222196218.db2.gz IUPLOKRPDLWKDC-GOSISDBHSA-N 1 2 385.508 2.340 50 0 GEAALO O=C([O-])c1ccc(C[NH+]2CCC([N@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)cc1 ZINC000071765373 222196222 /nfs/dbraw/zinc/19/62/22/222196222.db2.gz IUPLOKRPDLWKDC-GOSISDBHSA-N 1 2 385.508 2.340 50 0 GEAALO CCc1cccc(NC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)c1 ZINC000072115850 222206911 /nfs/dbraw/zinc/20/69/11/222206911.db2.gz CPUHMJQDZXMQAT-UHFFFAOYSA-N 1 2 396.495 2.230 50 0 GEAALO CCc1cccc(NC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)c1 ZINC000072115850 222206914 /nfs/dbraw/zinc/20/69/14/222206914.db2.gz CPUHMJQDZXMQAT-UHFFFAOYSA-N 1 2 396.495 2.230 50 0 GEAALO O=C(C1CC1)N1CCc2[nH]c[nH+]c2C12CCN(C(=O)[C@H]1C[C@@H]3C=C[C@H]1C3)CC2 ZINC000095500159 222333956 /nfs/dbraw/zinc/33/39/56/222333956.db2.gz QAIYRVHZRDHDAW-PVAVHDDUSA-N 1 2 380.492 2.234 50 0 GEAALO COc1cccc(C(=O)N2CCC3(CC2)c2[nH+]c[nH]c2CCN3C(=O)C2CC2)c1 ZINC000095504240 222336989 /nfs/dbraw/zinc/33/69/89/222336989.db2.gz IVVGIPSYIKSXCQ-UHFFFAOYSA-N 1 2 394.475 2.345 50 0 GEAALO COCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2ccccc2-c2nc[nH]n2)C1 ZINC000095507151 222339246 /nfs/dbraw/zinc/33/92/46/222339246.db2.gz HJYBFNRXLWDCMQ-OAHLLOKOSA-N 1 2 380.452 2.334 50 0 GEAALO CCCn1cc[nH+]c1CNS(=O)(=O)c1cccc(C(=O)NC2CCC2)c1 ZINC000095507640 222340788 /nfs/dbraw/zinc/34/07/88/222340788.db2.gz KLDQPQDZPWNDMJ-UHFFFAOYSA-N 1 2 376.482 2.054 50 0 GEAALO CCC(=O)N1CCc2[nH]c[nH+]c2C12CCN(C(=O)[C@H]1Cc3ccccc3O1)CC2 ZINC000095508637 222341099 /nfs/dbraw/zinc/34/10/99/222341099.db2.gz XQYRDPWYQIHLBR-GOSISDBHSA-N 1 2 394.475 2.026 50 0 GEAALO CNC(=O)[C@@H]1C[C@@H](NC(=O)c2sccc2Cl)C[N@@H+]1CCCSC ZINC000095512862 222342985 /nfs/dbraw/zinc/34/29/85/222342985.db2.gz HCNQDSXYJCLGKP-PWSUYJOCSA-N 1 2 375.947 2.073 50 0 GEAALO CNC(=O)[C@@H]1C[C@@H](NC(=O)c2sccc2Cl)C[N@H+]1CCCSC ZINC000095512862 222342989 /nfs/dbraw/zinc/34/29/89/222342989.db2.gz HCNQDSXYJCLGKP-PWSUYJOCSA-N 1 2 375.947 2.073 50 0 GEAALO O=C(C[NH+]1CC(c2nc(-c3cccc(Cl)c3)no2)C1)NC[C@@H]1CCCO1 ZINC000077190920 222275204 /nfs/dbraw/zinc/27/52/04/222275204.db2.gz KQMJUKVFUUXCFP-HNNXBMFYSA-N 1 2 376.844 2.084 50 0 GEAALO O=C(c1cccc(-c2[nH]cc[nH+]2)c1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000082092628 222308780 /nfs/dbraw/zinc/30/87/80/222308780.db2.gz GJQPZFAJDAWZTI-UHFFFAOYSA-N 1 2 396.472 2.223 50 0 GEAALO COCC(=O)N1CCc2[nH]c[nH+]c2C12CCN(C(=O)c1cccc(C)c1C)CC2 ZINC000095524180 222349503 /nfs/dbraw/zinc/34/95/03/222349503.db2.gz XGDFTGHUODMXAY-UHFFFAOYSA-N 1 2 396.491 2.189 50 0 GEAALO O=C(NC1CC[NH+](CN2C[C@@H](c3ccccn3)CC2=O)CC1)c1cccs1 ZINC000095959177 222364095 /nfs/dbraw/zinc/36/40/95/222364095.db2.gz OFUVJFAYMIOLTD-HNNXBMFYSA-N 1 2 384.505 2.311 50 0 GEAALO O=C(Nc1cccc(-c2cscn2)c1)N1CC[NH+](CCn2cncn2)CC1 ZINC000096136112 222386688 /nfs/dbraw/zinc/38/66/88/222386688.db2.gz HMQCFVYXSIFDDM-UHFFFAOYSA-N 1 2 383.481 2.251 50 0 GEAALO Cc1nccnc1C[NH+]1CCC2(CC1)c1[nH]cnc1CCN2C(=O)C1CCC1 ZINC000096162219 222393004 /nfs/dbraw/zinc/39/30/04/222393004.db2.gz VPVWVTHQTXINGH-UHFFFAOYSA-N 1 2 380.496 2.184 50 0 GEAALO COc1ccc2[nH]c(C(=O)N3CCC(c4nnc(C[NH+](C)C)n4C)CC3)cc2c1 ZINC000096163083 222393814 /nfs/dbraw/zinc/39/38/14/222393814.db2.gz WKDRPSYVCZMSIS-UHFFFAOYSA-N 1 2 396.495 2.386 50 0 GEAALO CCn1c(C[NH+](C)C)nnc1C1CCN(C(=O)Cc2ccccc2OC)CC1 ZINC000096166693 222395782 /nfs/dbraw/zinc/39/57/82/222395782.db2.gz RVNGPIOJBXDQCT-UHFFFAOYSA-N 1 2 385.512 2.317 50 0 GEAALO O=C1C[C@H]([NH+]2CCC3(CC2)OCCO3)C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000100137995 222457645 /nfs/dbraw/zinc/45/76/45/222457645.db2.gz DLZVBHAZRRDJPH-AWEZNQCLSA-N 1 2 385.247 2.464 50 0 GEAALO Cc1noc(C)c1C[N@H+]1CCc2c(C(=O)N[C@H](C(N)=O)C(C)C)csc2C1 ZINC000426647899 534364829 /nfs/dbraw/zinc/36/48/29/534364829.db2.gz JDJJQWQYCUEZNC-KRWDZBQOSA-N 1 2 390.509 2.151 50 0 GEAALO Cc1noc(C)c1C[N@@H+]1CCc2c(C(=O)N[C@H](C(N)=O)C(C)C)csc2C1 ZINC000426647899 534364832 /nfs/dbraw/zinc/36/48/32/534364832.db2.gz JDJJQWQYCUEZNC-KRWDZBQOSA-N 1 2 390.509 2.151 50 0 GEAALO CC(C)(C)NC(=O)N1CCC2(CCC(=O)N(CCCn3cc[nH+]c3)C2)CC1 ZINC000091876737 526315932 /nfs/dbraw/zinc/31/59/32/526315932.db2.gz OHWTXTJOAQCDMQ-UHFFFAOYSA-N 1 2 375.517 2.486 50 0 GEAALO CCc1nc2c(ncnc2N2CCC(c3nnc(C[NH+](C)C)n3CC)CC2)o1 ZINC000096164885 536154829 /nfs/dbraw/zinc/15/48/29/536154829.db2.gz VIGCUNJYHATCAA-UHFFFAOYSA-N 1 2 384.488 2.237 50 0 GEAALO COc1cccc(N2CC[NH+]([C@@H]3CC(=O)N(c4cccc(C)c4)C3=O)CC2)c1 ZINC000096299669 537124751 /nfs/dbraw/zinc/12/47/51/537124751.db2.gz SZMHPDJSHUWISB-HXUWFJFHSA-N 1 2 379.460 2.458 50 0 GEAALO COc1cccc([C@@H](C)N(C)C(=O)Cn2nnnc2C[NH+]2CCCCCC2)c1 ZINC000019741940 570212547 /nfs/dbraw/zinc/21/25/47/570212547.db2.gz PGSRXYWZBGHKFF-MRXNPFEDSA-N 1 2 386.500 2.277 50 0 GEAALO CCOc1ccc(S(=O)(=O)NCCC[NH+]2CCOCC2)c2ccccc12 ZINC000019771529 570218203 /nfs/dbraw/zinc/21/82/03/570218203.db2.gz VCNFALDAFCYLKN-UHFFFAOYSA-N 1 2 378.494 2.239 50 0 GEAALO O=C(NCCn1cc[nH+]c1)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC000048141941 570219104 /nfs/dbraw/zinc/21/91/04/570219104.db2.gz YIDGSSGWXVOTAF-AWEZNQCLSA-N 1 2 380.370 2.067 50 0 GEAALO COc1cccc(NC(=O)CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c1 ZINC000019928562 570230563 /nfs/dbraw/zinc/23/05/63/570230563.db2.gz CCXBGERLZGOIKR-UHFFFAOYSA-N 1 2 383.448 2.180 50 0 GEAALO Cc1c(CNc2ccc(C(=O)N3CCC[C@@H](Cn4cc[nH+]c4)C3)cn2)cnn1C ZINC000019939027 570232441 /nfs/dbraw/zinc/23/24/41/570232441.db2.gz YPCMPCXMQLCRSR-KRWDZBQOSA-N 1 2 393.495 2.485 50 0 GEAALO CC(=O)N1CC[NH+](C[C@H](O)COc2ccc(OCc3ccccc3)cc2)CC1 ZINC000019999245 570234334 /nfs/dbraw/zinc/23/43/34/570234334.db2.gz AVCNTFMFEZYEHL-FQEVSTJZSA-N 1 2 384.476 2.169 50 0 GEAALO Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)NCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000048342225 570239448 /nfs/dbraw/zinc/23/94/48/570239448.db2.gz DOMCLEPLIVZWJK-HUUCEWRRSA-N 1 2 388.487 2.396 50 0 GEAALO Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)NCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000048342222 570239690 /nfs/dbraw/zinc/23/96/90/570239690.db2.gz DOMCLEPLIVZWJK-GASCZTMLSA-N 1 2 388.487 2.396 50 0 GEAALO Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)NCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000048342222 570239692 /nfs/dbraw/zinc/23/96/92/570239692.db2.gz DOMCLEPLIVZWJK-GASCZTMLSA-N 1 2 388.487 2.396 50 0 GEAALO C[NH+]1CCN(S(=O)(=O)c2cccc(NC(=O)c3ccccc3F)c2)CC1 ZINC000048365830 570245899 /nfs/dbraw/zinc/24/58/99/570245899.db2.gz HCJFTHOIXAZBGI-UHFFFAOYSA-N 1 2 377.441 2.014 50 0 GEAALO O=C(COc1ccccc1)Nc1nc2ccccc2n1CC[NH+]1CCOCC1 ZINC000019373497 570254764 /nfs/dbraw/zinc/25/47/64/570254764.db2.gz AUMSLERLGXRKHH-UHFFFAOYSA-N 1 2 380.448 2.386 50 0 GEAALO COc1ccc(CC(=O)N2CC[NH+](C[C@@H](O)c3cccs3)CC2)cc1OC ZINC000049031337 570261154 /nfs/dbraw/zinc/26/11/54/570261154.db2.gz GNADSICDPNEDIC-MRXNPFEDSA-N 1 2 390.505 2.186 50 0 GEAALO CN(CC[NH+]1CCOCC1)C(=O)NC[C@@H]1CCN(c2cccc(Cl)c2)C1 ZINC000584902661 570272103 /nfs/dbraw/zinc/27/21/03/570272103.db2.gz QPQVWRDPASMCOM-INIZCTEOSA-N 1 2 380.920 2.140 50 0 GEAALO COc1ccc(OC)c(CN(CCC[NH+]2CCOCC2)C(=S)NC2CC2)c1 ZINC000020648787 570274090 /nfs/dbraw/zinc/27/40/90/570274090.db2.gz NHILPRGAILZRSW-UHFFFAOYSA-N 1 2 393.553 2.265 50 0 GEAALO Cn1cc(CNc2ccc(C(=O)N3CCC[C@H](Cn4cc[nH+]c4)C3)cn2)cn1 ZINC000020997800 570286938 /nfs/dbraw/zinc/28/69/38/570286938.db2.gz TWEOODVQBSNJSZ-MRXNPFEDSA-N 1 2 379.468 2.176 50 0 GEAALO CN(Cc1ccccc1)c1[nH+]cccc1CNC(=O)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000020999319 570287249 /nfs/dbraw/zinc/28/72/49/570287249.db2.gz RQOVARFQYJVDGN-GOSISDBHSA-N 1 2 378.476 2.345 50 0 GEAALO C[C@H](C(=O)NCc1ccccc1)[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000021847728 570297760 /nfs/dbraw/zinc/29/77/60/570297760.db2.gz JUWXYKLYTFYYHU-QGZVFWFLSA-N 1 2 381.476 2.238 50 0 GEAALO C[C@H](C(=O)NCc1ccccc1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000021847728 570297761 /nfs/dbraw/zinc/29/77/61/570297761.db2.gz JUWXYKLYTFYYHU-QGZVFWFLSA-N 1 2 381.476 2.238 50 0 GEAALO CC(=O)Nc1ccc(C)c(S(=O)(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000021870473 570298217 /nfs/dbraw/zinc/29/82/17/570298217.db2.gz AYRPXOBINGHNER-HUUCEWRRSA-N 1 2 397.541 2.120 50 0 GEAALO CC1=C[C@H]([NH+]2CCN(c3ccccc3)CC2)[C@@H](C2C(=O)OC(C)(C)OC2=O)C1=O ZINC000000715809 570303080 /nfs/dbraw/zinc/30/30/80/570303080.db2.gz RAJNCSVIONOROJ-IRXDYDNUSA-N 1 2 398.459 2.402 50 0 GEAALO O=C(CCn1cnc2ccccc2c1=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000022691937 570325000 /nfs/dbraw/zinc/32/50/00/570325000.db2.gz AKKWDHAEWVPPPW-UHFFFAOYSA-N 1 2 382.489 2.193 50 0 GEAALO O=C(NC1CC[NH+]([C@@H]2CCS(=O)(=O)C2)CC1)c1cc(Cl)sc1Cl ZINC000575609307 570332293 /nfs/dbraw/zinc/33/22/93/570332293.db2.gz VIMQCOZEVLANAW-SNVBAGLBSA-N 1 2 397.349 2.436 50 0 GEAALO O=C(CN1CC[NH+](CC(=O)N2CCCCC2)CC1)Nc1cc(Cl)ccc1F ZINC000022913784 570334156 /nfs/dbraw/zinc/33/41/56/570334156.db2.gz PYVFFOCUKQIRKV-UHFFFAOYSA-N 1 2 396.894 2.048 50 0 GEAALO C[C@H](C(=O)NC1CCCCC1)[NH+]1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000022932073 570336996 /nfs/dbraw/zinc/33/69/96/570336996.db2.gz GGFBDTNVBXELAX-MRXNPFEDSA-N 1 2 390.503 2.219 50 0 GEAALO OCC[C@@H]1C[N@H+](Cc2cccn2-c2ncccn2)CCN1Cc1ccc(F)cc1 ZINC000022932885 570337823 /nfs/dbraw/zinc/33/78/23/570337823.db2.gz ZJTKHKGWRHOTGF-HXUWFJFHSA-N 1 2 395.482 2.475 50 0 GEAALO OCC[C@@H]1C[N@@H+](Cc2cccn2-c2ncccn2)CCN1Cc1ccc(F)cc1 ZINC000022932885 570337825 /nfs/dbraw/zinc/33/78/25/570337825.db2.gz ZJTKHKGWRHOTGF-HXUWFJFHSA-N 1 2 395.482 2.475 50 0 GEAALO Cn1ncc2c1nc[nH+]c2NC1CCN(c2cc(C(F)(F)F)ncn2)CC1 ZINC000575617823 570361712 /nfs/dbraw/zinc/36/17/12/570361712.db2.gz XDCPNTHAOQQLOG-UHFFFAOYSA-N 1 2 378.362 2.253 50 0 GEAALO O=C(C[NH+]1CCN(c2cc3c(nn2)CCC3)CC1)NCc1ccccc1Cl ZINC000575618331 570362995 /nfs/dbraw/zinc/36/29/95/570362995.db2.gz APBLKDKHTHAFKO-UHFFFAOYSA-N 1 2 385.899 2.057 50 0 GEAALO O=C(CCn1ccc(=O)[nH]c1=O)Nc1ccccc1-c1cn2c([nH+]1)CCCC2 ZINC000575619176 570366936 /nfs/dbraw/zinc/36/69/36/570366936.db2.gz IJHIVMZRWVDKJX-UHFFFAOYSA-N 1 2 379.420 2.178 50 0 GEAALO Cc1nnc(SCC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)n1C1CC1 ZINC000023731573 570370400 /nfs/dbraw/zinc/37/04/00/570370400.db2.gz WDDSKLNEWKKJAB-UHFFFAOYSA-N 1 2 387.509 2.484 50 0 GEAALO Cc1nn(-c2ccc(C)cc2C)nc1C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000023761068 570371566 /nfs/dbraw/zinc/37/15/66/570371566.db2.gz COLFSMCIOUASAQ-GOSISDBHSA-N 1 2 383.496 2.129 50 0 GEAALO Cn1cc[nH+]c1[C@H](NC(=O)C[C@H](NC(N)=O)c1ccccc1)c1ccccc1 ZINC000023775942 570372439 /nfs/dbraw/zinc/37/24/39/570372439.db2.gz AVEOLUIXYOBIHE-PKOBYXMFSA-N 1 2 377.448 2.425 50 0 GEAALO CCCc1cc(N2CCCn3nc([C@@H](O)c4ccnn4C)cc3C2)nc(C)[nH+]1 ZINC000219926768 570378210 /nfs/dbraw/zinc/37/82/10/570378210.db2.gz HVSAGMIGNNATQJ-HXUWFJFHSA-N 1 2 381.484 2.160 50 0 GEAALO O=S(=O)(NCc1ccccc1C[NH+]1CCOCC1)c1ccc(F)c(F)c1 ZINC000024193318 570380486 /nfs/dbraw/zinc/38/04/86/570380486.db2.gz BPPKWQLCWFMDPX-UHFFFAOYSA-N 1 2 382.432 2.276 50 0 GEAALO CCOC(=O)c1c(C)oc2nc(C[N@H+](C)Cc3ccc4c(c3)OCO4)[nH]c(=O)c21 ZINC000024573123 570385904 /nfs/dbraw/zinc/38/59/04/570385904.db2.gz NCBUMYYGQBGTEU-UHFFFAOYSA-N 1 2 399.403 2.362 50 0 GEAALO CCOC(=O)c1c(C)oc2nc(C[N@@H+](C)Cc3ccc4c(c3)OCO4)[nH]c(=O)c21 ZINC000024573123 570385906 /nfs/dbraw/zinc/38/59/06/570385906.db2.gz NCBUMYYGQBGTEU-UHFFFAOYSA-N 1 2 399.403 2.362 50 0 GEAALO CC(C)Cc1cc(C[N@@H+]2CCCn3nc([C@H](O)c4ccnn4C)cc3C2)[nH]n1 ZINC000220501652 570387459 /nfs/dbraw/zinc/38/74/59/570387459.db2.gz HBHGYIUEMOAYQH-FQEVSTJZSA-N 1 2 383.500 2.026 50 0 GEAALO CC(C)Cc1cc(C[N@H+]2CCCn3nc([C@H](O)c4ccnn4C)cc3C2)[nH]n1 ZINC000220501652 570387462 /nfs/dbraw/zinc/38/74/62/570387462.db2.gz HBHGYIUEMOAYQH-FQEVSTJZSA-N 1 2 383.500 2.026 50 0 GEAALO CC(C)Cc1cc(C[N@@H+]2CCCn3nc([C@H](O)c4ccnn4C)cc3C2)n[nH]1 ZINC000220501652 570387464 /nfs/dbraw/zinc/38/74/64/570387464.db2.gz HBHGYIUEMOAYQH-FQEVSTJZSA-N 1 2 383.500 2.026 50 0 GEAALO CC(C)Cc1cc(C[N@H+]2CCCn3nc([C@H](O)c4ccnn4C)cc3C2)n[nH]1 ZINC000220501652 570387465 /nfs/dbraw/zinc/38/74/65/570387465.db2.gz HBHGYIUEMOAYQH-FQEVSTJZSA-N 1 2 383.500 2.026 50 0 GEAALO COc1cccc(Cn2ncc3ccc(C(=O)NCC[NH+]4CCOCC4)cc32)c1 ZINC000035559969 570396749 /nfs/dbraw/zinc/39/67/49/570396749.db2.gz LDBCWNHNZNNORW-UHFFFAOYSA-N 1 2 394.475 2.155 50 0 GEAALO CCCNC(=O)N1CC[NH+](CCn2c3ncccc3nc2C(F)(F)F)CC1 ZINC000033139672 570402202 /nfs/dbraw/zinc/40/22/02/570402202.db2.gz ILCNQFUTPNXCGE-UHFFFAOYSA-N 1 2 384.406 2.187 50 0 GEAALO O=C(Nc1ccc(F)cc1)N1CCN(C(=O)c2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000025085747 570405783 /nfs/dbraw/zinc/40/57/83/570405783.db2.gz PDYJEQMLJIQUEQ-UHFFFAOYSA-N 1 2 394.410 2.396 50 0 GEAALO Cc1ccc2c(CC(=O)N3CC[NH+](CC(=O)N4CCCC4)CC3)coc2c1C ZINC000025196334 570408147 /nfs/dbraw/zinc/40/81/47/570408147.db2.gz LUYXIJZZCQZSEQ-UHFFFAOYSA-N 1 2 383.492 2.359 50 0 GEAALO O=C(C[C@H]1OC(=O)c2ccccc21)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000025784651 570419971 /nfs/dbraw/zinc/41/99/71/570419971.db2.gz ACZQHUBULISSCZ-LJQANCHMSA-N 1 2 394.427 2.361 50 0 GEAALO O=S(=O)(Cc1ccc(F)cc1)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000026232338 570423633 /nfs/dbraw/zinc/42/36/33/570423633.db2.gz KOUYYQOOSHECSW-IBGZPJMESA-N 1 2 378.469 2.146 50 0 GEAALO O=S(=O)(Cc1ccc(F)cc1)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000026232338 570423635 /nfs/dbraw/zinc/42/36/35/570423635.db2.gz KOUYYQOOSHECSW-IBGZPJMESA-N 1 2 378.469 2.146 50 0 GEAALO CC1=[NH+]N(Cc2ccccc2Cl)c2nc3c(c(=O)n(C)c(=O)n3C)n2[C@@H]1C ZINC000005148013 570427438 /nfs/dbraw/zinc/42/74/38/570427438.db2.gz IQLBEGKUUYWDNM-LLVKDONJSA-N 1 2 386.843 2.044 50 0 GEAALO CCc1[nH+]c2ccccc2n1CCC(=O)N[C@H](c1cnn(C)c1)C1CC(O)C1 ZINC000223220960 570450736 /nfs/dbraw/zinc/45/07/36/570450736.db2.gz ZOJPPCGEJFYOMT-LGHNAOJLSA-N 1 2 381.480 2.351 50 0 GEAALO COc1ccc(C[NH+]2CCN(C(=O)c3cn(-c4ccccc4)nn3)CC2)cc1 ZINC000028869915 570465436 /nfs/dbraw/zinc/46/54/36/570465436.db2.gz IIWDRBYSILUJKO-UHFFFAOYSA-N 1 2 377.448 2.234 50 0 GEAALO C[C@H]1CCCCN1C(=O)C[NH+]1CCN(CC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000029675776 570477568 /nfs/dbraw/zinc/47/75/68/570477568.db2.gz UMZFTSQXMLDITC-INIZCTEOSA-N 1 2 392.931 2.297 50 0 GEAALO Cc1nn(C)c2ncc(C(=O)NCc3ccccc3C[NH+]3CCOCC3)cc12 ZINC000029931938 570482971 /nfs/dbraw/zinc/48/29/71/570482971.db2.gz ZQCZKRILJGZFJQ-UHFFFAOYSA-N 1 2 379.464 2.039 50 0 GEAALO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc2c(c1)OCC(=O)N2)c1ccccc1F ZINC000029999712 570483903 /nfs/dbraw/zinc/48/39/03/570483903.db2.gz PDHRFAZSOWUSQL-GOSISDBHSA-N 1 2 380.379 2.410 50 0 GEAALO Cc1nc2ccccc2nc1N1CC[NH+](Cc2cc(=O)n3ccsc3n2)CC1 ZINC000030003807 570484417 /nfs/dbraw/zinc/48/44/17/570484417.db2.gz UOJYJIBWYCIUBB-UHFFFAOYSA-N 1 2 392.488 2.330 50 0 GEAALO CCOC(=O)c1cc(CC)sc1NC(=O)C[NH+]1CCC2(CC1)OCCO2 ZINC000006725805 570490887 /nfs/dbraw/zinc/49/08/87/570490887.db2.gz OBECOHDUSLJHGC-UHFFFAOYSA-N 1 2 382.482 2.265 50 0 GEAALO CN(C)S(=O)(=O)c1ccc(C(=O)Nc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000030689878 570493858 /nfs/dbraw/zinc/49/38/58/570493858.db2.gz KIICIPNEYWRCIT-UHFFFAOYSA-N 1 2 384.461 2.434 50 0 GEAALO C[NH+]1CCN(C(=O)c2cnc(-c3ccccc3)nc2N2CCSCC2)CC1 ZINC000036001350 570507110 /nfs/dbraw/zinc/50/71/10/570507110.db2.gz DPLFKXQBUSODGR-UHFFFAOYSA-N 1 2 383.521 2.084 50 0 GEAALO CC[C@@H](C)[C@H]1[NH2+]C2(CCN(C(=O)c3ccc4c(c3)OCO4)CC2)N(C2CC2)C1=O ZINC000036028701 570514013 /nfs/dbraw/zinc/51/40/13/570514013.db2.gz CWVZHFAHJITWPO-AUUYWEPGSA-N 1 2 399.491 2.357 50 0 GEAALO CNC(=O)Cc1nc(C[N@@H+](Cc2ccccc2)C[C@@H](C)C(=O)OC)cs1 ZINC000072309146 570530313 /nfs/dbraw/zinc/53/03/13/570530313.db2.gz WESCBDSNJRXJQG-CQSZACIVSA-N 1 2 375.494 2.243 50 0 GEAALO CNC(=O)Cc1nc(C[N@H+](Cc2ccccc2)C[C@@H](C)C(=O)OC)cs1 ZINC000072309146 570530317 /nfs/dbraw/zinc/53/03/17/570530317.db2.gz WESCBDSNJRXJQG-CQSZACIVSA-N 1 2 375.494 2.243 50 0 GEAALO CNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000005267774 570534172 /nfs/dbraw/zinc/53/41/72/570534172.db2.gz GMPAUNIFEDBCIJ-AWEZNQCLSA-N 1 2 384.461 2.271 50 0 GEAALO O=S(=O)(c1ccc(-c2csnn2)s1)N1CCN(c2cccc[nH+]2)CC1 ZINC000036382111 570564788 /nfs/dbraw/zinc/56/47/88/570564788.db2.gz PHZIBCYIVBYBJC-UHFFFAOYSA-N 1 2 393.519 2.173 50 0 GEAALO Cc1cc(C)c(C(=O)NCc2ccc[nH+]c2N(C)CCc2ccccn2)c(=O)[nH]1 ZINC000039478316 570591929 /nfs/dbraw/zinc/59/19/29/570591929.db2.gz YMFVCPOTYLXMQE-UHFFFAOYSA-N 1 2 391.475 2.391 50 0 GEAALO OCCOc1cccc(CN2CC[N@H+](Cc3ccc(F)cc3)[C@H](CCO)C2)c1 ZINC000039455455 570592064 /nfs/dbraw/zinc/59/20/64/570592064.db2.gz DAGJCTQKCNBBTD-OAQYLSRUSA-N 1 2 388.483 2.266 50 0 GEAALO OCCOc1cccc(CN2CC[N@@H+](Cc3ccc(F)cc3)[C@H](CCO)C2)c1 ZINC000039455455 570592067 /nfs/dbraw/zinc/59/20/67/570592067.db2.gz DAGJCTQKCNBBTD-OAQYLSRUSA-N 1 2 388.483 2.266 50 0 GEAALO O=c1c2cnc3c(-c4ccccc4)cnn3c2ccn1CC[NH+]1CCOCC1 ZINC000040387800 570599324 /nfs/dbraw/zinc/59/93/24/570599324.db2.gz OZGNYHROLNFDKB-UHFFFAOYSA-N 1 2 375.432 2.043 50 0 GEAALO O=C(Nc1ccc(Oc2cc[nH+]cc2)cc1)C(=O)N[C@@H]1CCc2n[nH]cc2C1 ZINC000167435409 570625450 /nfs/dbraw/zinc/62/54/50/570625450.db2.gz OPYOSHPBCRBNIO-OAHLLOKOSA-N 1 2 377.404 2.209 50 0 GEAALO O=C(C[N@@H+]1CCc2ccccc2C1)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000036380046 570653303 /nfs/dbraw/zinc/65/33/03/570653303.db2.gz DVFWOWVRQKKXOI-FQEVSTJZSA-N 1 2 384.501 2.265 50 0 GEAALO O=C(C[N@H+]1CCc2ccccc2C1)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000036380046 570653304 /nfs/dbraw/zinc/65/33/04/570653304.db2.gz DVFWOWVRQKKXOI-FQEVSTJZSA-N 1 2 384.501 2.265 50 0 GEAALO Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)C[NH2+][C@H](C)c1nnnn1C ZINC000240551639 570685033 /nfs/dbraw/zinc/68/50/33/570685033.db2.gz GVBKMRQXWCMPQE-CQSZACIVSA-N 1 2 393.451 2.060 50 0 GEAALO C[C@H](C[NH+]1CCOCC1)NC(=O)C[C@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000240668030 570685427 /nfs/dbraw/zinc/68/54/27/570685427.db2.gz HMAWEWRJQIJFBJ-DLBZAZTESA-N 1 2 397.560 2.497 50 0 GEAALO Cn1c(C[NH+](C)C)nnc1[C@H]1C[C@H](NC(=O)c2ccc(OC(F)F)cc2)C1 ZINC000244873603 570697956 /nfs/dbraw/zinc/69/79/56/570697956.db2.gz WSTWBPQOVOIQRM-JOCQHMNTSA-N 1 2 379.411 2.154 50 0 GEAALO COc1cccc(CO[C@H](C)C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)c1 ZINC000032638673 570712058 /nfs/dbraw/zinc/71/20/58/570712058.db2.gz WDSYKZFNJIONCU-MRXNPFEDSA-N 1 2 385.464 2.148 50 0 GEAALO COCC[NH+]=C1Nc2ccccc2N[C@@]12CCCN(C(=O)c1ccccn1)C2 ZINC000065259890 570761812 /nfs/dbraw/zinc/76/18/12/570761812.db2.gz UDBBKSGPDDPDIZ-OAQYLSRUSA-N 1 2 379.464 2.448 50 0 GEAALO Cc1ccc(N2C[C@@H](C(=O)N3CC[NH+](CC(=O)C(C)(C)C)CC3)CC2=O)cc1 ZINC000032809853 570832405 /nfs/dbraw/zinc/83/24/05/570832405.db2.gz OMWUGGHUFWUYNS-KRWDZBQOSA-N 1 2 385.508 2.107 50 0 GEAALO Cc1[nH+]c2ccccc2n1CCNC(=O)CCc1nc2ccccc2c(=O)[nH]1 ZINC000012547162 570848266 /nfs/dbraw/zinc/84/82/66/570848266.db2.gz MUYZNZJQAPXJMY-UHFFFAOYSA-N 1 2 375.432 2.330 50 0 GEAALO Cc1nc2ccc(C(=O)NCc3ccc(N4CCOCC4)[nH+]c3)cc2nc1C ZINC000032882639 570883935 /nfs/dbraw/zinc/88/39/35/570883935.db2.gz DFRHFXWWNRBSGN-UHFFFAOYSA-N 1 2 377.448 2.408 50 0 GEAALO Cc1nn(C)c(Oc2cccnc2)c1C[N@@H+]1CCO[C@@](C)(c2cnn(C)c2)C1 ZINC000097032776 570887071 /nfs/dbraw/zinc/88/70/71/570887071.db2.gz FQCJIWSFGLUGTE-HXUWFJFHSA-N 1 2 382.468 2.397 50 0 GEAALO Cc1nn(C)c(Oc2cccnc2)c1C[N@H+]1CCO[C@@](C)(c2cnn(C)c2)C1 ZINC000097032776 570887074 /nfs/dbraw/zinc/88/70/74/570887074.db2.gz FQCJIWSFGLUGTE-HXUWFJFHSA-N 1 2 382.468 2.397 50 0 GEAALO CCc1ccccc1NC(=O)CN1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000096905149 570901535 /nfs/dbraw/zinc/90/15/35/570901535.db2.gz BHOHXAUCOFKHNN-SFHVURJKSA-N 1 2 386.540 2.206 50 0 GEAALO CC=C1C[N@H+](C)[C@H]2Cc3c4ccccc4[nH]c3C(=O)C[C@H]1[C@@]2(CO)C(=O)OC ZINC000238739052 570913742 /nfs/dbraw/zinc/91/37/42/570913742.db2.gz CZRUSFCSECMUDS-OVOVDWPHSA-N 1 2 382.460 2.325 50 0 GEAALO CC=C1C[N@@H+](C)[C@H]2Cc3c4ccccc4[nH]c3C(=O)C[C@H]1[C@@]2(CO)C(=O)OC ZINC000238739052 570913748 /nfs/dbraw/zinc/91/37/48/570913748.db2.gz CZRUSFCSECMUDS-OVOVDWPHSA-N 1 2 382.460 2.325 50 0 GEAALO Cc1cc(S(=O)(=O)N2CC[NH+](C[C@@H](O)Cc3ccccc3)CC2)c(C)s1 ZINC000195137017 570962877 /nfs/dbraw/zinc/96/28/77/570962877.db2.gz PXDKMSQEBGOSPG-SFHVURJKSA-N 1 2 394.562 2.275 50 0 GEAALO CCO[C@@H](C)c1noc(CN2CCC[N@@H+]([C@H](C)c3nc(CC)no3)CC2)n1 ZINC000107145855 570971333 /nfs/dbraw/zinc/97/13/33/570971333.db2.gz IXFDWYCMTFTOTC-KGLIPLIRSA-N 1 2 378.477 2.381 50 0 GEAALO CCO[C@@H](C)c1noc(CN2CCC[N@H+]([C@H](C)c3nc(CC)no3)CC2)n1 ZINC000107145855 570971336 /nfs/dbraw/zinc/97/13/36/570971336.db2.gz IXFDWYCMTFTOTC-KGLIPLIRSA-N 1 2 378.477 2.381 50 0 GEAALO CNc1cc(N2CCC[C@@H]2CNc2cnc(C(=O)OC(C)(C)C)cn2)nc[nH+]1 ZINC000252492644 570974288 /nfs/dbraw/zinc/97/42/88/570974288.db2.gz MRJMENKSFULNIK-CYBMUJFWSA-N 1 2 385.472 2.345 50 0 GEAALO CNc1cc(N2CCC[C@@H]2CNc2cnc(C(=O)OC(C)(C)C)cn2)[nH+]cn1 ZINC000252492644 570974291 /nfs/dbraw/zinc/97/42/91/570974291.db2.gz MRJMENKSFULNIK-CYBMUJFWSA-N 1 2 385.472 2.345 50 0 GEAALO O=C(c1ccc(OCC2CCOCC2)nc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000252498165 570976073 /nfs/dbraw/zinc/97/60/73/570976073.db2.gz QVRKTIYHTDNEBX-UHFFFAOYSA-N 1 2 382.464 2.244 50 0 GEAALO CC(C)c1ccc(N2C(=O)N[C@H](CCC(=O)NCCn3cc[nH+]c3)C2=O)cc1 ZINC000252510467 570979678 /nfs/dbraw/zinc/97/96/78/570979678.db2.gz ZLLRNIUIGNWTFZ-QGZVFWFLSA-N 1 2 383.452 2.232 50 0 GEAALO CCC(NCC[NH+]1CCCCC1)=C1C(=O)NC(=O)N(c2ccccc2C)C1=O ZINC000019372493 570981100 /nfs/dbraw/zinc/98/11/00/570981100.db2.gz QVHIYQDTFAMQLD-FBMGVBCBSA-N 1 2 384.480 2.317 50 0 GEAALO CC(C)[C@@H]1C[C@H](CC(=O)N2CC[NH+]([C@H](C)C(=O)N3CCCCC3)CC2)CCO1 ZINC000108465804 570988795 /nfs/dbraw/zinc/98/87/95/570988795.db2.gz OBYOUCYCTQPBJX-AQNXPRMDSA-N 1 2 393.572 2.373 50 0 GEAALO O=C(Nc1ccc(Oc2cc[nH+]cc2)cc1)C(=O)N[C@H]1CCc2c[nH]nc2C1 ZINC000252537602 570992080 /nfs/dbraw/zinc/99/20/80/570992080.db2.gz LSLBPYXNSCWRFT-HNNXBMFYSA-N 1 2 377.404 2.209 50 0 GEAALO NC(=O)c1cccc(C[C@@H]2CCN(C(=O)C[N@@H+]3CCOc4ccccc4C3)C2)c1 ZINC000091321280 571003365 /nfs/dbraw/zinc/00/33/65/571003365.db2.gz FIEJMPWPZGEWBZ-SFHVURJKSA-N 1 2 393.487 2.071 50 0 GEAALO NC(=O)c1cccc(C[C@@H]2CCN(C(=O)C[N@H+]3CCOc4ccccc4C3)C2)c1 ZINC000091321280 571003366 /nfs/dbraw/zinc/00/33/66/571003366.db2.gz FIEJMPWPZGEWBZ-SFHVURJKSA-N 1 2 393.487 2.071 50 0 GEAALO Cc1nc(C)c(C(=O)N2CCC3(CCC(=O)N(CCCn4cc[nH+]c4)C3)CC2)o1 ZINC000091624646 571019187 /nfs/dbraw/zinc/01/91/87/571019187.db2.gz KBPDCDOHSYTLPN-UHFFFAOYSA-N 1 2 399.495 2.423 50 0 GEAALO c1c(-c2cnc(C3CCCCC3)nc2)nnn1[C@H]1COC[C@@H]1[NH+]1CCOCC1 ZINC000091934736 571036598 /nfs/dbraw/zinc/03/65/98/571036598.db2.gz PXSLOYAWRDQJGM-OALUTQOASA-N 1 2 384.484 2.055 50 0 GEAALO NC(=O)c1cc2c([nH+]c1N1CC[C@@]3(C1)CCCN(CC1CCC1)C3=O)CCC2 ZINC000095375341 571063543 /nfs/dbraw/zinc/06/35/43/571063543.db2.gz WNQJSMHJXGKMBO-JOCHJYFZSA-N 1 2 382.508 2.288 50 0 GEAALO CCNC(=O)[C@@H]1C[C@@H](NC(=O)Cc2ccsc2)C[N@@H+]1Cc1cccs1 ZINC000091475510 643065806 /nfs/dbraw/zinc/06/58/06/643065806.db2.gz BXKPGNSFRSZPFJ-ZBFHGGJFSA-N 1 2 377.535 2.248 50 0 GEAALO CCNC(=O)[C@@H]1C[C@@H](NC(=O)Cc2ccsc2)C[N@H+]1Cc1cccs1 ZINC000091475510 643065814 /nfs/dbraw/zinc/06/58/14/643065814.db2.gz BXKPGNSFRSZPFJ-ZBFHGGJFSA-N 1 2 377.535 2.248 50 0 GEAALO Cc1noc([C@@H]2CC3(C[N@H+]2C)CCN(S(=O)(=O)c2cccs2)CC3)n1 ZINC000169787205 644282884 /nfs/dbraw/zinc/28/28/84/644282884.db2.gz QJZMPVRCNFYECU-ZDUSSCGKSA-N 1 2 382.511 2.287 50 0 GEAALO Cc1noc([C@@H]2CC3(C[N@@H+]2C)CCN(S(=O)(=O)c2cccs2)CC3)n1 ZINC000169787205 644282888 /nfs/dbraw/zinc/28/28/88/644282888.db2.gz QJZMPVRCNFYECU-ZDUSSCGKSA-N 1 2 382.511 2.287 50 0 GEAALO O=C(N[C@@H]1CC[N@@H+](Cc2cscn2)C[C@H]1O)C12CC3CC(CC(C3)C1)C2 ZINC000426486110 231227284 /nfs/dbraw/zinc/22/72/84/231227284.db2.gz JHNJQGHKFDQFHD-UHEPKEFZSA-N 1 2 375.538 2.411 50 0 GEAALO O=C(N[C@@H]1CC[N@H+](Cc2cscn2)C[C@H]1O)C12CC3CC(CC(C3)C1)C2 ZINC000426486110 231227286 /nfs/dbraw/zinc/22/72/86/231227286.db2.gz JHNJQGHKFDQFHD-UHEPKEFZSA-N 1 2 375.538 2.411 50 0 GEAALO C[C@H](Cc1cccnc1)NC(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000426597274 231245603 /nfs/dbraw/zinc/24/56/03/231245603.db2.gz SETZESHOXCNFBZ-MRXNPFEDSA-N 1 2 382.464 2.269 50 0 GEAALO CON(C)C(=O)CCSc1nnc(C[NH+]2CCCC2)n1-c1ccccc1 ZINC000225793980 222697151 /nfs/dbraw/zinc/69/71/51/222697151.db2.gz IFNRGDGMUFHLIS-UHFFFAOYSA-N 1 2 375.498 2.365 50 0 GEAALO CO[C@@H]1CCN(c2ccc(C(=O)N3CC[NH+](Cc4cccnc4)CC3)cc2)C1 ZINC000252484171 222732220 /nfs/dbraw/zinc/73/22/20/222732220.db2.gz FQIIPZLBMXBTPG-OAQYLSRUSA-N 1 2 380.492 2.265 50 0 GEAALO CCC[C@H](NC(=O)CN(c1ccc(C)cc1)S(C)(=O)=O)c1[nH+]ccn1C ZINC000299756598 222784233 /nfs/dbraw/zinc/78/42/33/222784233.db2.gz FHAJVUVSOUSDTL-INIZCTEOSA-N 1 2 378.498 2.152 50 0 GEAALO CCc1ccc(S(=O)(=O)NCC[NH+]2CCN(c3ccccc3)CC2)s1 ZINC000056997480 531816976 /nfs/dbraw/zinc/81/69/76/531816976.db2.gz WEXGKEOIOVMZKV-UHFFFAOYSA-N 1 2 379.551 2.411 50 0 GEAALO Cn1c(Cn2cc[nH+]c2)nnc1[C@H]1C[C@H](NC(=O)c2ccc(Cl)s2)C1 ZINC000243932274 532520569 /nfs/dbraw/zinc/52/05/69/532520569.db2.gz BUBOXWRMFGWBIO-XYPYZODXSA-N 1 2 376.873 2.451 50 0 GEAALO O=C(NC[C@H](c1ccoc1)[NH+]1CCSCC1)C(=O)Nc1ccc(F)c(F)c1 ZINC000244970221 212132887 /nfs/dbraw/zinc/13/28/87/212132887.db2.gz HOMIOOZICLNVPK-MRXNPFEDSA-N 1 2 395.431 2.403 50 0 GEAALO Cc1ccc(S(=O)(=O)C2(C(=O)N3CCN(c4cccc[nH+]4)CC3)CC2)cc1 ZINC000002467275 220537039 /nfs/dbraw/zinc/53/70/39/220537039.db2.gz MAMFLXGKLRCFMV-UHFFFAOYSA-N 1 2 385.489 2.045 50 0 GEAALO COc1cc(C)c(Br)cc1S(=O)(=O)NCCCn1cc[nH+]c1 ZINC000008132546 221028103 /nfs/dbraw/zinc/02/81/03/221028103.db2.gz VGSPHCRYXHQDMO-UHFFFAOYSA-N 1 2 388.287 2.331 50 0 GEAALO COc1ccc([C@H]2CC(=O)c3c(C)nc(N4CC[NH+](C)CC4)nc3C2)cc1OC ZINC000010156549 221098535 /nfs/dbraw/zinc/09/85/35/221098535.db2.gz FXHZFXNQTAEFEI-MRXNPFEDSA-N 1 2 396.491 2.467 50 0 GEAALO C[C@@H](NC(=O)CCCn1nnnc1C[NH+]1CCC(C)CC1)c1nccs1 ZINC000011879987 221134991 /nfs/dbraw/zinc/13/49/91/221134991.db2.gz SUXDHNOBIBWNKJ-CQSZACIVSA-N 1 2 377.518 2.019 50 0 GEAALO COc1cccc(CCNC(=O)C[C@H]2C(=O)NCC[N@H+]2Cc2ccc(C)cc2)c1 ZINC000012029030 221143615 /nfs/dbraw/zinc/14/36/15/221143615.db2.gz ULLWYNXGDRZHCI-NRFANRHFSA-N 1 2 395.503 2.053 50 0 GEAALO COc1cccc(CCNC(=O)C[C@H]2C(=O)NCC[N@@H+]2Cc2ccc(C)cc2)c1 ZINC000012029030 221143620 /nfs/dbraw/zinc/14/36/20/221143620.db2.gz ULLWYNXGDRZHCI-NRFANRHFSA-N 1 2 395.503 2.053 50 0 GEAALO CN(C)c1cc(N2C[C@H]3OC(=O)N(CCc4cccc(Cl)c4)[C@H]3C2)[nH+]cn1 ZINC000012049791 221145480 /nfs/dbraw/zinc/14/54/80/221145480.db2.gz DVIDVZOWOLVVSM-JKSUJKDBSA-N 1 2 387.871 2.448 50 0 GEAALO CC(C)C[N@@H+]1CCNC(=O)[C@H]1CC(=O)N(C)Cc1nc2ccc(Cl)cc2[nH]1 ZINC000012434150 221193128 /nfs/dbraw/zinc/19/31/28/221193128.db2.gz IBPWTLOJWNMVKE-MRXNPFEDSA-N 1 2 391.903 2.021 50 0 GEAALO CC(C)C[N@H+]1CCNC(=O)[C@H]1CC(=O)N(C)Cc1nc2ccc(Cl)cc2[nH]1 ZINC000012434150 221193129 /nfs/dbraw/zinc/19/31/29/221193129.db2.gz IBPWTLOJWNMVKE-MRXNPFEDSA-N 1 2 391.903 2.021 50 0 GEAALO Cn1cc[nH+]c1[C@@H](NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)c1ccccc1 ZINC000012582650 221209884 /nfs/dbraw/zinc/20/98/84/221209884.db2.gz XMTFXQLSVNQBDU-IBGZPJMESA-N 1 2 396.472 2.373 50 0 GEAALO CCOc1ccccc1C[N@@H+]1CCNC(=O)[C@H]1CC(=O)NCc1ccc(F)cc1 ZINC000012595614 221213445 /nfs/dbraw/zinc/21/34/45/221213445.db2.gz GMAVCRDAGFRCOD-LJQANCHMSA-N 1 2 399.466 2.231 50 0 GEAALO CCOc1ccccc1C[N@H+]1CCNC(=O)[C@H]1CC(=O)NCc1ccc(F)cc1 ZINC000012595614 221213450 /nfs/dbraw/zinc/21/34/50/221213450.db2.gz GMAVCRDAGFRCOD-LJQANCHMSA-N 1 2 399.466 2.231 50 0 GEAALO CC1CC[NH+](Cc2nnnn2CCCC(=O)N(C)CC[C@H]2CCCCO2)CC1 ZINC000012590336 221211217 /nfs/dbraw/zinc/21/12/17/221211217.db2.gz FPJJQAJNJLHRSD-GOSISDBHSA-N 1 2 392.548 2.103 50 0 GEAALO O=C(NCc1ccc2c(c1)OCO2)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000012951881 221250204 /nfs/dbraw/zinc/25/02/04/221250204.db2.gz LXPGSMLJHYQDAU-SFHVURJKSA-N 1 2 383.448 2.288 50 0 GEAALO CCOc1ccccc1N1CC[NH+](CC(=O)Nc2cccc3nonc32)CC1 ZINC000013324564 221265008 /nfs/dbraw/zinc/26/50/08/221265008.db2.gz VFWIJHCUUYOXMT-UHFFFAOYSA-N 1 2 381.436 2.382 50 0 GEAALO Nc1c(C(=O)NCc2ccco2)sc(=S)n1CCC[NH+]1CCOCC1 ZINC000013691988 221282140 /nfs/dbraw/zinc/28/21/40/221282140.db2.gz MUGKOFGUZGKUPO-UHFFFAOYSA-N 1 2 382.511 2.107 50 0 GEAALO CCC[C@@H]1NC(=O)N(C[N@@H+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)C1=O ZINC000014198110 221303501 /nfs/dbraw/zinc/30/35/01/221303501.db2.gz YOJULGMYFLHZRE-AWEZNQCLSA-N 1 2 399.417 2.291 50 0 GEAALO CCC[C@@H]1NC(=O)N(C[N@H+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)C1=O ZINC000014198110 221303504 /nfs/dbraw/zinc/30/35/04/221303504.db2.gz YOJULGMYFLHZRE-AWEZNQCLSA-N 1 2 399.417 2.291 50 0 GEAALO COC(=O)[C@@H]1C[C@H](C(=O)NCC2(O)CCCCC2)[C@H](c2ccccc2F)[N@@H+]1C ZINC000014962243 221322446 /nfs/dbraw/zinc/32/24/46/221322446.db2.gz HQFGRACXAAKBLZ-SZMVWBNQSA-N 1 2 392.471 2.172 50 0 GEAALO COC(=O)[C@@H]1C[C@H](C(=O)NCC2(O)CCCCC2)[C@H](c2ccccc2F)[N@H+]1C ZINC000014962243 221322449 /nfs/dbraw/zinc/32/24/49/221322449.db2.gz HQFGRACXAAKBLZ-SZMVWBNQSA-N 1 2 392.471 2.172 50 0 GEAALO C[C@@H]1C[N@H+](C2(C(=O)NCCCn3cccn3)Cc3ccccc3C2)C[C@H](C)O1 ZINC000014959705 221320937 /nfs/dbraw/zinc/32/09/37/221320937.db2.gz SZRFKSSTQDMAJJ-HDICACEKSA-N 1 2 382.508 2.036 50 0 GEAALO C[C@@H]1C[N@@H+](C2(C(=O)NCCCn3cccn3)Cc3ccccc3C2)C[C@H](C)O1 ZINC000014959705 221320938 /nfs/dbraw/zinc/32/09/38/221320938.db2.gz SZRFKSSTQDMAJJ-HDICACEKSA-N 1 2 382.508 2.036 50 0 GEAALO COc1cccc([C@H](C)N(C)C(=O)Cn2nnnc2C[NH+]2CCC(C)CC2)c1 ZINC000015072625 221330868 /nfs/dbraw/zinc/33/08/68/221330868.db2.gz DEDGAXLGRNFDTC-INIZCTEOSA-N 1 2 386.500 2.133 50 0 GEAALO COc1ccccc1N1CC[NH+]([C@H]2CC(=O)N(CCc3ccccc3)C2=O)CC1 ZINC000018122823 221387207 /nfs/dbraw/zinc/38/72/07/221387207.db2.gz CBGIJVKDSLXFPW-FQEVSTJZSA-N 1 2 393.487 2.187 50 0 GEAALO COc1ccccc1N1CC[NH+]([C@H]2CC(=O)N(c3ccc(F)cc3)C2=O)CC1 ZINC000018285935 221392730 /nfs/dbraw/zinc/39/27/30/221392730.db2.gz BKRZKHSGHOUBDR-SFHVURJKSA-N 1 2 383.423 2.288 50 0 GEAALO O=C1C[C@@H]([NH+]2CCN(c3ccc(O)cc3)CC2)C(=O)N1c1cccc(Cl)c1 ZINC000018285917 221393154 /nfs/dbraw/zinc/39/31/54/221393154.db2.gz ADOWKFVIFZCEHO-GOSISDBHSA-N 1 2 385.851 2.500 50 0 GEAALO O=S(=O)(c1ccccc1)c1ccc(N2CCN(c3cccc[nH+]3)CC2)nn1 ZINC000064942790 136158236 /nfs/dbraw/zinc/15/82/36/136158236.db2.gz IGSNUPAZRVGSCI-UHFFFAOYSA-N 1 2 381.461 2.031 50 0 GEAALO CC(=O)N1CC[NH+](Cc2cc3cc(C)ccc3nc2N2CCC[C@@H](O)C2)CC1 ZINC000072469853 136171154 /nfs/dbraw/zinc/17/11/54/136171154.db2.gz SZIDWNSSFIANEO-HXUWFJFHSA-N 1 2 382.508 2.168 50 0 GEAALO COc1cccc(C(=O)N2CCN(c3ccc(Cn4cc[nH+]c4)cn3)CC2)c1 ZINC000077303096 136171987 /nfs/dbraw/zinc/17/19/87/136171987.db2.gz VCDHUODQAYQFFW-UHFFFAOYSA-N 1 2 377.448 2.297 50 0 GEAALO c1cn(CCc2nc3c(s2)CCC3)c(-c2cnc(N3CCOCC3)nc2)[nH+]1 ZINC000077524712 136172449 /nfs/dbraw/zinc/17/24/49/136172449.db2.gz FXSRXCIDLALBAA-UHFFFAOYSA-N 1 2 382.493 2.365 50 0 GEAALO Cc1cc(N2CCOCC2)nc(SCC(=O)Nc2ccc3c(c2)OCO3)[nH+]1 ZINC000082086881 136173325 /nfs/dbraw/zinc/17/33/25/136173325.db2.gz CDLKQGRTSQJGLJ-UHFFFAOYSA-N 1 2 388.449 2.081 50 0 GEAALO CC(C)(C)c1ccc(C(=O)NCCNc2cc(N3CCOCC3)nc[nH+]2)cc1 ZINC000082230381 136174486 /nfs/dbraw/zinc/17/44/86/136174486.db2.gz DEHHBWHMBFFNQK-UHFFFAOYSA-N 1 2 383.496 2.453 50 0 GEAALO CC(C)(C)c1ccc(C(=O)NCCNc2cc(N3CCOCC3)[nH+]cn2)cc1 ZINC000082230381 136174487 /nfs/dbraw/zinc/17/44/87/136174487.db2.gz DEHHBWHMBFFNQK-UHFFFAOYSA-N 1 2 383.496 2.453 50 0 GEAALO c1nnc2ccc(N3CCN(c4[nH+]cccc4OCc4ccccc4)CC3)nn12 ZINC000095997118 136183055 /nfs/dbraw/zinc/18/30/55/136183055.db2.gz SNNDIFAIBVTVGH-UHFFFAOYSA-N 1 2 387.447 2.425 50 0 GEAALO O=C1C[C@H]([NH+]2CCN(c3ccc(O)cc3)CC2)C(=O)N1c1cccc(Cl)c1 ZINC000100141871 136188952 /nfs/dbraw/zinc/18/89/52/136188952.db2.gz ADOWKFVIFZCEHO-SFHVURJKSA-N 1 2 385.851 2.500 50 0 GEAALO C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3Oc4ccccc4O[C@@H]3C)c[nH+]2)CCO1 ZINC000105662669 136191506 /nfs/dbraw/zinc/19/15/06/136191506.db2.gz JKOYUJCDAJKQPJ-STXHMFSFSA-N 1 2 383.448 2.151 50 0 GEAALO C[C@H]1CN(c2[nH+]cnc3c2cnn3CCNC(=O)c2ccc(F)cc2)C[C@H](C)O1 ZINC000011665955 136199731 /nfs/dbraw/zinc/19/97/31/136199731.db2.gz SDAOSCGRYBGPHD-KBPBESRZSA-N 1 2 398.442 2.009 50 0 GEAALO CN(CC[NH+]1CCOCC1)C(=O)c1cc(COc2ccc(F)cc2Cl)on1 ZINC000023128821 221584252 /nfs/dbraw/zinc/58/42/52/221584252.db2.gz QHZMAIWKQSTNOE-UHFFFAOYSA-N 1 2 397.834 2.450 50 0 GEAALO Cn1cc[nH+]c1[C@H](NC(=O)C[C@@H](NC(N)=O)c1ccccc1)c1ccccc1 ZINC000023775935 221604075 /nfs/dbraw/zinc/60/40/75/221604075.db2.gz AVEOLUIXYOBIHE-IEBWSBKVSA-N 1 2 377.448 2.425 50 0 GEAALO COc1cccc(CO[C@@H](C)C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)c1 ZINC000032638672 221725005 /nfs/dbraw/zinc/72/50/05/221725005.db2.gz WDSYKZFNJIONCU-INIZCTEOSA-N 1 2 385.464 2.148 50 0 GEAALO CC(C)CN(Cc1ccccn1)C(=O)C[C@@H]1C(=O)NCC[N@H+]1Cc1ccccc1 ZINC000055306722 222020452 /nfs/dbraw/zinc/02/04/52/222020452.db2.gz FDPLBFQYQJCMPA-OAQYLSRUSA-N 1 2 394.519 2.457 50 0 GEAALO CC(C)CN(Cc1ccccn1)C(=O)C[C@@H]1C(=O)NCC[N@@H+]1Cc1ccccc1 ZINC000055306722 222020455 /nfs/dbraw/zinc/02/04/55/222020455.db2.gz FDPLBFQYQJCMPA-OAQYLSRUSA-N 1 2 394.519 2.457 50 0 GEAALO CC(C)[NH+]1CCN(S(=O)(=O)c2cc(-c3nnc(C4CCC4)o3)co2)CC1 ZINC000065246672 222113859 /nfs/dbraw/zinc/11/38/59/222113859.db2.gz NZYBNWMGZSAXBO-UHFFFAOYSA-N 1 2 380.470 2.312 50 0 GEAALO Cc1ccc(S(=O)(=O)N2CC[NH+](CCc3cn(C)c4ncccc34)CC2)cc1 ZINC000065164793 222104685 /nfs/dbraw/zinc/10/46/85/222104685.db2.gz VDTZWEFNDIGDGC-UHFFFAOYSA-N 1 2 398.532 2.431 50 0 GEAALO CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc3[nH+]c(C)cn3c2)n(C)c1 ZINC000058177686 222044460 /nfs/dbraw/zinc/04/44/60/222044460.db2.gz WORPUXRHXPCIHI-UHFFFAOYSA-N 1 2 389.481 2.264 50 0 GEAALO Cc1ccc2[nH+]c(CNC(=O)[C@H]3CCCN3C(=O)Cc3ccccc3)cn2c1 ZINC000058209224 222046099 /nfs/dbraw/zinc/04/60/99/222046099.db2.gz PVHMYZKEVQHKLP-LJQANCHMSA-N 1 2 376.460 2.493 50 0 GEAALO C[NH+]1CCN(S(=O)(=O)c2cccc(-c3nc(-c4ccccc4)no3)c2)CC1 ZINC000064610849 222076835 /nfs/dbraw/zinc/07/68/35/222076835.db2.gz NLULJQQSKFQSIZ-UHFFFAOYSA-N 1 2 384.461 2.340 50 0 GEAALO O=C(NCC[NH+]1CCOCC1)c1ccn2c(c1)nnc2-c1cccc(Cl)c1 ZINC000065296774 222121652 /nfs/dbraw/zinc/12/16/52/222121652.db2.gz DIEBLVQMPHKHNH-UHFFFAOYSA-N 1 2 385.855 2.112 50 0 GEAALO CCN(CC)c1[nH+]cnc2c1cnn2CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000065295934 222121840 /nfs/dbraw/zinc/12/18/40/222121840.db2.gz XQKRJIOCEPMETP-UHFFFAOYSA-N 1 2 382.424 2.082 50 0 GEAALO CN(C(=O)c1ccc(CS(=O)(=O)N2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC000065361926 222125353 /nfs/dbraw/zinc/12/53/53/222125353.db2.gz FUSFOASFEWTTHD-UHFFFAOYSA-N 1 2 387.505 2.040 50 0 GEAALO CC(C)(C)n1cc(C2=CC[N@H+](CC(=O)Nc3ccc(C(N)=O)cc3)CC2)cn1 ZINC000065434167 222130720 /nfs/dbraw/zinc/13/07/20/222130720.db2.gz KNAZMNKOJIGYJJ-UHFFFAOYSA-N 1 2 381.480 2.465 50 0 GEAALO CC(C)(C)n1cc(C2=CC[N@@H+](CC(=O)Nc3ccc(C(N)=O)cc3)CC2)cn1 ZINC000065434167 222130724 /nfs/dbraw/zinc/13/07/24/222130724.db2.gz KNAZMNKOJIGYJJ-UHFFFAOYSA-N 1 2 381.480 2.465 50 0 GEAALO CCOc1ccc(C(=O)N2CCN(c3cc(-n4cccn4)nc(C)[nH+]3)CC2)cc1 ZINC000067621975 222152271 /nfs/dbraw/zinc/15/22/71/222152271.db2.gz BKLONLREZGPXCI-UHFFFAOYSA-N 1 2 392.463 2.332 50 0 GEAALO O=C(NCc1ccc[nH+]c1N1CCC[C@@H](O)C1)c1[nH]cnc1-c1ccccc1 ZINC000067741153 222157566 /nfs/dbraw/zinc/15/75/66/222157566.db2.gz GOUGKGWRIQWBGI-QGZVFWFLSA-N 1 2 377.448 2.363 50 0 GEAALO Cc1nnc(C[N@@H+](C)C[C@@]2(O)CCCN(Cc3ccc(C(C)C)cc3)C2=O)o1 ZINC000067771715 222159923 /nfs/dbraw/zinc/15/99/23/222159923.db2.gz ZGTGKYJOAURRKI-NRFANRHFSA-N 1 2 386.496 2.487 50 0 GEAALO Cc1nnc(C[N@H+](C)C[C@@]2(O)CCCN(Cc3ccc(C(C)C)cc3)C2=O)o1 ZINC000067771715 222159926 /nfs/dbraw/zinc/15/99/26/222159926.db2.gz ZGTGKYJOAURRKI-NRFANRHFSA-N 1 2 386.496 2.487 50 0 GEAALO CC(C)CC(=O)C(=O)NCc1cccnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000067966208 222168998 /nfs/dbraw/zinc/16/89/98/222168998.db2.gz WFPDOANFIDRRBN-UHFFFAOYSA-N 1 2 381.480 2.035 50 0 GEAALO CC1=C(C(=O)NCc2ccccc2-n2cc[nH+]c2)[C@H](c2cccnc2)NC(=O)N1 ZINC000067954467 222170063 /nfs/dbraw/zinc/17/00/63/222170063.db2.gz DNDSDDMEGBBASA-IBGZPJMESA-N 1 2 388.431 2.212 50 0 GEAALO NS(=O)(=O)c1ccc(Cn2cc[nH+]c2-c2ccc(-n3cccn3)cc2)cc1 ZINC000071762905 222193415 /nfs/dbraw/zinc/19/34/15/222193415.db2.gz HQOODDYNQVXYAK-UHFFFAOYSA-N 1 2 379.445 2.432 50 0 GEAALO Cc1cccn2c(C[N@@H+]3CCCC[C@H]3C(N)=O)c(C(=O)N3CCCCC3)nc12 ZINC000071764807 222195504 /nfs/dbraw/zinc/19/55/04/222195504.db2.gz DSHZGKCTVOLFLG-INIZCTEOSA-N 1 2 383.496 2.109 50 0 GEAALO Cc1cccn2c(C[N@H+]3CCCC[C@H]3C(N)=O)c(C(=O)N3CCCCC3)nc12 ZINC000071764807 222195508 /nfs/dbraw/zinc/19/55/08/222195508.db2.gz DSHZGKCTVOLFLG-INIZCTEOSA-N 1 2 383.496 2.109 50 0 GEAALO CC(C)(C[NH+]1CCOCC1)NC(=O)c1cn(Cc2cccc3ccccc32)nn1 ZINC000072162271 222215495 /nfs/dbraw/zinc/21/54/95/222215495.db2.gz JYFDPFBDWHPXJX-UHFFFAOYSA-N 1 2 393.491 2.320 50 0 GEAALO O=C([C@H](c1ccccc1)n1cnnn1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000072402270 222253201 /nfs/dbraw/zinc/25/32/01/222253201.db2.gz YCKBTUDDTDXRIX-CLNPQZTCSA-N 1 2 388.475 2.120 50 0 GEAALO Cc1ccc2ncc(C(=O)N3CC[NH+](Cc4ncccc4C)CC3)c(O)c2c1 ZINC000072473154 222264567 /nfs/dbraw/zinc/26/45/67/222264567.db2.gz NODCCKOPKOEWIU-UHFFFAOYSA-N 1 2 376.460 2.498 50 0 GEAALO CC[NH+]1CCN(S(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(=O)C2CCC2)CC1 ZINC000085572206 222322811 /nfs/dbraw/zinc/32/28/11/222322811.db2.gz MWLQIGHBJNCFCZ-OAHLLOKOSA-N 1 2 391.537 2.091 50 0 GEAALO CC(C)SCC(=O)N1CCC[C@@]2(CCC(=O)N(CCc3c[nH+]c[nH]3)C2)C1 ZINC000095497469 222332329 /nfs/dbraw/zinc/33/23/29/222332329.db2.gz MVMKGRVNUFWOLS-LJQANCHMSA-N 1 2 378.542 2.325 50 0 GEAALO CC(C)SCC(=O)N1CCC[C@@]2(CCC(=O)N(CCc3c[nH]c[nH+]3)C2)C1 ZINC000095497469 222332334 /nfs/dbraw/zinc/33/23/34/222332334.db2.gz MVMKGRVNUFWOLS-LJQANCHMSA-N 1 2 378.542 2.325 50 0 GEAALO CCn1cc[nH+]c1C1CCN(C(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)CC1 ZINC000095500558 222334750 /nfs/dbraw/zinc/33/47/50/222334750.db2.gz PZGAVWUVHUMLRW-QGZVFWFLSA-N 1 2 381.480 2.053 50 0 GEAALO CCc1c(C)cc(C(=O)N2CCC[C@@H](c3[nH+]ccn3CCOC)C2)c(=O)n1C ZINC000095499804 222334879 /nfs/dbraw/zinc/33/48/79/222334879.db2.gz AUZWGAKIORQZAE-MRXNPFEDSA-N 1 2 386.496 2.119 50 0 GEAALO Cn1cc(C(=O)N2CCC[C@H](c3[nH+]ccn3Cc3ccncc3)C2)ccc1=O ZINC000095506067 222339261 /nfs/dbraw/zinc/33/92/61/222339261.db2.gz ZFGXRGVZYFTGOU-KRWDZBQOSA-N 1 2 377.448 2.045 50 0 GEAALO COc1cc2c(cc1-c1[nH+]ccn1CCc1cc(=O)[nH]c(C)n1)OCCCO2 ZINC000077487130 222282919 /nfs/dbraw/zinc/28/29/19/222282919.db2.gz VBFAVXAGUANEBR-UHFFFAOYSA-N 1 2 382.420 2.354 50 0 GEAALO COC(=O)c1c(F)cccc1S(=O)(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000079098307 222303099 /nfs/dbraw/zinc/30/30/99/222303099.db2.gz DBSKLRNPSVCJRN-INIZCTEOSA-N 1 2 392.452 2.290 50 0 GEAALO COC(=O)c1c(F)cccc1S(=O)(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000079098307 222303102 /nfs/dbraw/zinc/30/31/02/222303102.db2.gz DBSKLRNPSVCJRN-INIZCTEOSA-N 1 2 392.452 2.290 50 0 GEAALO O=C(CN1C(=O)CC2(CCCC2)C1=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000079494195 222306418 /nfs/dbraw/zinc/30/64/18/222306418.db2.gz IVWJSTMTQLJIPK-RMKNXTFCSA-N 1 2 395.503 2.163 50 0 GEAALO O=C(N[C@H]1CCS(=O)(=O)C1)C1C[NH+](C(c2ccccc2)c2ccccc2)C1 ZINC000079488467 222306958 /nfs/dbraw/zinc/30/69/58/222306958.db2.gz NMQPECNPJNAJRF-IBGZPJMESA-N 1 2 384.501 2.011 50 0 GEAALO O=C(Cn1[nH]c2ccccc2c1=O)N1CCC[C@@H](c2[nH+]ccn2CC2CC2)C1 ZINC000082147779 222311281 /nfs/dbraw/zinc/31/12/81/222311281.db2.gz GGXBMAVISHLPAM-MRXNPFEDSA-N 1 2 379.464 2.342 50 0 GEAALO CCc1ccc(C(=O)N2CCC3(CC2)c2[nH+]c[nH]c2CCN3C(=O)COC)cc1 ZINC000095526038 222350022 /nfs/dbraw/zinc/35/00/22/222350022.db2.gz IXGIGFFOFNTHDG-UHFFFAOYSA-N 1 2 396.491 2.135 50 0 GEAALO O=C(CCN1CCCC1=O)N1CCC(c2[nH+]ccn2Cc2ccncc2)CC1 ZINC000095530106 222352099 /nfs/dbraw/zinc/35/20/99/222352099.db2.gz AQVBQVBMRYVWLJ-UHFFFAOYSA-N 1 2 381.480 2.045 50 0 GEAALO Cc1[nH]c2ccc(NC(=O)CC[C@@H]3NC(=O)c4ccccc4NC3=O)cc2[nH+]1 ZINC000096115059 222382174 /nfs/dbraw/zinc/38/21/74/222382174.db2.gz XSVCBQCMVGTCBL-INIZCTEOSA-N 1 2 377.404 2.341 50 0 GEAALO CCn1ccc(C(=O)N2CCC(c3nnc(C[NH+]4CCCC4)n3CC)CC2)n1 ZINC000096137913 222385273 /nfs/dbraw/zinc/38/52/73/222385273.db2.gz GMOGBGXCDHMPEG-UHFFFAOYSA-N 1 2 385.516 2.130 50 0 GEAALO NC(=O)Cn1cc[nH+]c1C1CCN(C(=O)CCc2c[nH]c3ccccc23)CC1 ZINC000096138662 222386288 /nfs/dbraw/zinc/38/62/88/222386288.db2.gz VADRBQCZVLASPF-UHFFFAOYSA-N 1 2 379.464 2.189 50 0 GEAALO Cn1c(C[NH+]2CCCC2)nnc1C1CCN(C(=O)COc2ccccc2)CC1 ZINC000096150130 222391397 /nfs/dbraw/zinc/39/13/97/222391397.db2.gz HMJFSNFHZPPXSC-UHFFFAOYSA-N 1 2 383.496 2.196 50 0 GEAALO CCn1c(Cn2cc[nH+]c2)nnc1C1CCN(C(=O)c2oc(C)nc2C)CC1 ZINC000096151240 222391553 /nfs/dbraw/zinc/39/15/53/222391553.db2.gz JWUFWXOPRPNNIA-UHFFFAOYSA-N 1 2 383.456 2.167 50 0 GEAALO CCn1c(Cn2cc[nH+]c2)nnc1C1CCN(C(=O)c2ccncc2F)CC1 ZINC000096162060 222392465 /nfs/dbraw/zinc/39/24/65/222392465.db2.gz NSZPURKZFGJVQJ-UHFFFAOYSA-N 1 2 383.431 2.097 50 0 GEAALO CCCC[N@@H+]1CCOC[C@@H]1C(=O)NCc1ccc(Cn2ccccc2=O)cc1 ZINC000170597825 517561965 /nfs/dbraw/zinc/56/19/65/517561965.db2.gz JUUZIGKRXMHJHW-HXUWFJFHSA-N 1 2 383.492 2.014 50 0 GEAALO CCCC[N@H+]1CCOC[C@@H]1C(=O)NCc1ccc(Cn2ccccc2=O)cc1 ZINC000170597825 517561978 /nfs/dbraw/zinc/56/19/78/517561978.db2.gz JUUZIGKRXMHJHW-HXUWFJFHSA-N 1 2 383.492 2.014 50 0 GEAALO CC(C)c1ccc(Nc2nc(N3CCOCC3)[nH+]c(N3CCOCC3)n2)cc1 ZINC000000828008 519837813 /nfs/dbraw/zinc/83/78/13/519837813.db2.gz BRJUKCQOGSDWRM-UHFFFAOYSA-N 1 2 384.484 2.412 50 0 GEAALO Cc1cccc(-n2nnnc2S[C@@H](C)C(=O)NCc2c[nH+]cn2C2CC2)c1 ZINC000426368330 534569910 /nfs/dbraw/zinc/56/99/10/534569910.db2.gz QTOJQBGWXQFRDK-ZDUSSCGKSA-N 1 2 383.481 2.299 50 0 GEAALO CC(C)(C[NH+]1CCOCC1)NC(=O)N1CCC([C@@H](O)c2cccs2)CC1 ZINC000426435101 527085334 /nfs/dbraw/zinc/08/53/34/527085334.db2.gz ZMJGWQFFYZGBNV-QGZVFWFLSA-N 1 2 381.542 2.314 50 0 GEAALO Cc1nn(C)cc1CNc1ccc(C(=O)N2CCC[C@H](Cn3cc[nH+]c3)C2)cn1 ZINC000019782280 570218809 /nfs/dbraw/zinc/21/88/09/570218809.db2.gz HZKSYNSDCNDGRD-QGZVFWFLSA-N 1 2 393.495 2.485 50 0 GEAALO O=C(CCS(=O)(=O)C1CCCC1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000048172369 570220137 /nfs/dbraw/zinc/22/01/37/570220137.db2.gz RDWXKLOMYQQPHL-UHFFFAOYSA-N 1 2 378.538 2.121 50 0 GEAALO C[NH+]1CCN(C(=O)c2cnn3c2nc(-c2ccco2)cc3C(F)(F)F)CC1 ZINC000019848795 570225115 /nfs/dbraw/zinc/22/51/15/570225115.db2.gz ALLAXDLUGQMUBZ-UHFFFAOYSA-N 1 2 379.342 2.396 50 0 GEAALO O=C1C[C@H]([NH+]2CCN(c3ccc(F)cc3)CC2)C(=O)N1Cc1ccc(F)cc1 ZINC000019877392 570227167 /nfs/dbraw/zinc/22/71/67/570227167.db2.gz SROVRXZHGPNPSA-IBGZPJMESA-N 1 2 385.414 2.415 50 0 GEAALO O=C1C[C@H]([NH+]2CCN(c3ccccc3O)CC2)C(=O)N1Cc1ccc(Cl)cc1 ZINC000019877442 570227202 /nfs/dbraw/zinc/22/72/02/570227202.db2.gz JZROZEMTKORMFS-SFHVURJKSA-N 1 2 399.878 2.495 50 0 GEAALO CCCS(=O)(=O)N1CCC[C@H](C(=O)Nc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000048341681 570239602 /nfs/dbraw/zinc/23/96/02/570239602.db2.gz KZXJKQGZOINBKF-KRWDZBQOSA-N 1 2 390.509 2.322 50 0 GEAALO C[C@H](C[NH+]1CCOCC1)NC(=O)Cn1c2ccccc2n(C2=CCCCC2)c1=O ZINC000048345064 570240688 /nfs/dbraw/zinc/24/06/88/570240688.db2.gz ARGYOHSEOBZUOV-QGZVFWFLSA-N 1 2 398.507 2.055 50 0 GEAALO CCOC(=O)C1CC[NH+](CN2C(=O)N[C@](C)(c3cccc(Cl)c3)C2=O)CC1 ZINC000048354160 570241606 /nfs/dbraw/zinc/24/16/06/570241606.db2.gz VEEMAEVNQCEWAU-LJQANCHMSA-N 1 2 393.871 2.340 50 0 GEAALO O=C(NCC[NH+]1CCOCC1)/C(=C\c1ccccc1F)NC(=O)c1ccccc1 ZINC000020170767 570246168 /nfs/dbraw/zinc/24/61/68/570246168.db2.gz WJCCCGKSWFQOOL-CAPFRKAQSA-N 1 2 397.450 2.045 50 0 GEAALO O=C(Cn1c(=O)cnc2ccccc21)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000048367130 570246792 /nfs/dbraw/zinc/24/67/92/570246792.db2.gz DKXYMGOGNDZQHA-UHFFFAOYSA-N 1 2 377.448 2.098 50 0 GEAALO O=C(c1ccc2c(c1)OCCO2)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000020472644 570261125 /nfs/dbraw/zinc/26/11/25/570261125.db2.gz XQWTXMUVHKTOCD-UHFFFAOYSA-N 1 2 382.416 2.145 50 0 GEAALO O=C1C[C@@H](c2cccc(Cl)c2)Cc2nc(N3CC[NH+](CCO)CC3)ncc21 ZINC000020478092 570261362 /nfs/dbraw/zinc/26/13/62/570261362.db2.gz NDSORMZQVSQKBW-HNNXBMFYSA-N 1 2 386.883 2.157 50 0 GEAALO NC(=O)c1ccccc1NC(=O)CN1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000020494621 570263861 /nfs/dbraw/zinc/26/38/61/570263861.db2.gz CYBRQWQJWRPNPG-UHFFFAOYSA-N 1 2 386.883 2.195 50 0 GEAALO O=C(C1CC[NH+]([C@@H]2CC(=O)N(c3ccccc3F)C2=O)CC1)N1CCCCC1 ZINC000020495258 570264249 /nfs/dbraw/zinc/26/42/49/570264249.db2.gz CIPFWAMFFLMQJY-GOSISDBHSA-N 1 2 387.455 2.182 50 0 GEAALO C[C@H](C(=O)NC(=O)NCc1ccccc1)[NH+]1CCC(C(=O)C(F)(F)F)CC1 ZINC000186013379 570275763 /nfs/dbraw/zinc/27/57/63/570275763.db2.gz LNISLYOZKQGIDO-GFCCVEGCSA-N 1 2 385.386 2.244 50 0 GEAALO COC(=O)C1CC[NH+]([C@@H]2CC(=O)N(c3cc(C)c(Cl)cc3OC)C2=O)CC1 ZINC000021817182 570297236 /nfs/dbraw/zinc/29/72/36/570297236.db2.gz DSRCPNKQCUAOLC-OAHLLOKOSA-N 1 2 394.855 2.174 50 0 GEAALO CC(=O)Nc1ccc(C)c(S(=O)(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000021870484 570298084 /nfs/dbraw/zinc/29/80/84/570298084.db2.gz AYRPXOBINGHNER-GJZGRUSLSA-N 1 2 397.541 2.120 50 0 GEAALO CCOC(=O)[C@@H]1CCC[N@H+](Cc2nc(COc3ccc(OC)cc3)no2)C1 ZINC000022189448 570306833 /nfs/dbraw/zinc/30/68/33/570306833.db2.gz CBSPEECWFWHCOX-CQSZACIVSA-N 1 2 375.425 2.432 50 0 GEAALO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2nc(COc3ccc(OC)cc3)no2)C1 ZINC000022189448 570306835 /nfs/dbraw/zinc/30/68/35/570306835.db2.gz CBSPEECWFWHCOX-CQSZACIVSA-N 1 2 375.425 2.432 50 0 GEAALO O=C1CC2(CCCCC2)C(=O)N1CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000022816439 570329952 /nfs/dbraw/zinc/32/99/52/570329952.db2.gz KAGRTOQFNZGZHF-UHFFFAOYSA-N 1 2 399.491 2.200 50 0 GEAALO O=C([C@H](c1ccccc1)N1CC[NH+](Cc2cccs2)CC1)N1CCOCC1 ZINC000022925653 570336197 /nfs/dbraw/zinc/33/61/97/570336197.db2.gz JAPIWWXQEXJQCD-FQEVSTJZSA-N 1 2 385.533 2.466 50 0 GEAALO C[C@@H](C(=O)NCCCn1cc[nH+]c1)N1c2cccc3cccc(c23)S1(=O)=O ZINC000004912590 570364620 /nfs/dbraw/zinc/36/46/20/570364620.db2.gz XWHJZGRARCRLPD-AWEZNQCLSA-N 1 2 384.461 2.140 50 0 GEAALO COC(=O)c1c(C)[nH]c(C(=O)N2CC[NH+](CCOc3ccccc3)CC2)c1C ZINC000023641709 570367635 /nfs/dbraw/zinc/36/76/35/570367635.db2.gz LMBQKJRWZNXSSW-UHFFFAOYSA-N 1 2 385.464 2.255 50 0 GEAALO O=C1NC(Cc2ccccc2)(Cc2ccccc2)C(=O)N1C[NH+]1CCC(O)CC1 ZINC000023763125 570372021 /nfs/dbraw/zinc/37/20/21/570372021.db2.gz FTFVKFUQCBLPFV-UHFFFAOYSA-N 1 2 393.487 2.177 50 0 GEAALO Cc1ccccc1Cn1c(C[N@H+]2CCCC[C@@H]2C)nc2c1c(=O)n(C)c(=O)n2C ZINC000004385493 570372858 /nfs/dbraw/zinc/37/28/58/570372858.db2.gz SVDHNZGYRGZIJL-INIZCTEOSA-N 1 2 395.507 2.165 50 0 GEAALO Cc1ccccc1Cn1c(C[N@@H+]2CCCC[C@@H]2C)nc2c1c(=O)n(C)c(=O)n2C ZINC000004385493 570372860 /nfs/dbraw/zinc/37/28/60/570372860.db2.gz SVDHNZGYRGZIJL-INIZCTEOSA-N 1 2 395.507 2.165 50 0 GEAALO CCCCN1C(=O)C(=O)N(C[N@@H+]2CCC[C@@H]2c2ccc(OC)cc2OC)C1=O ZINC000023852226 570373543 /nfs/dbraw/zinc/37/35/43/570373543.db2.gz YARBFGXQKVMASL-MRXNPFEDSA-N 1 2 389.452 2.389 50 0 GEAALO CCCCN1C(=O)C(=O)N(C[N@H+]2CCC[C@@H]2c2ccc(OC)cc2OC)C1=O ZINC000023852226 570373545 /nfs/dbraw/zinc/37/35/45/570373545.db2.gz YARBFGXQKVMASL-MRXNPFEDSA-N 1 2 389.452 2.389 50 0 GEAALO O=C(NCc1ccccc1)[C@@H]1CSCN1C(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000024668381 570389172 /nfs/dbraw/zinc/38/91/72/570389172.db2.gz NOMNMQDLSVOJKV-KRWDZBQOSA-N 1 2 393.472 2.099 50 0 GEAALO Cc1[nH]n(-c2ccccc2)c(=O)c1C1=C([n+]2ccccc2)C(=O)N(C(C)C)C1=O ZINC000006824863 570407352 /nfs/dbraw/zinc/40/73/52/570407352.db2.gz OLGCCIDOEUJORP-UHFFFAOYSA-O 1 2 389.435 2.319 50 0 GEAALO Cc1c(C(N)=O)sc2[nH]c(Cc3[nH+]ccn3Cc3ccccc3)nc(=O)c12 ZINC000053844538 570413052 /nfs/dbraw/zinc/41/30/52/570413052.db2.gz FDCCSUROARRZRF-UHFFFAOYSA-N 1 2 379.445 2.228 50 0 GEAALO Cc1ccccc1NC(=O)[C@H](C)N1CC[NH+](CC(=O)N2CCCCCC2)CC1 ZINC000027544355 570435591 /nfs/dbraw/zinc/43/55/91/570435591.db2.gz QZCPEEBIPOJDGH-IBGZPJMESA-N 1 2 386.540 2.342 50 0 GEAALO COC(=O)c1ccc(S(=O)(=O)NC[C@H](c2ccco2)[NH+](C)C)cc1Cl ZINC000130617193 570464709 /nfs/dbraw/zinc/46/47/09/570464709.db2.gz ISNDHVWHBMFSSI-CQSZACIVSA-N 1 2 386.857 2.301 50 0 GEAALO Cc1nc2ncnn2c(C)c1CCC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000029068720 570467727 /nfs/dbraw/zinc/46/77/27/570467727.db2.gz XJEWJJPNTTWIMB-IBGZPJMESA-N 1 2 389.463 2.313 50 0 GEAALO Cn1cc[nH+]c1[C@@H](NC(=O)c1cccc(-n2cnnn2)c1)c1ccccc1F ZINC000029999375 570483837 /nfs/dbraw/zinc/48/38/37/570483837.db2.gz XQKJDVQDVNGBGD-KRWDZBQOSA-N 1 2 377.383 2.054 50 0 GEAALO CC[NH+]1CCN(C(=O)[C@@H](C)Sc2nnc(Cc3csc(C)n3)o2)CC1 ZINC000029991331 570483853 /nfs/dbraw/zinc/48/38/53/570483853.db2.gz OBBAUMFYOAKHKB-LLVKDONJSA-N 1 2 381.527 2.070 50 0 GEAALO COc1ccc(S(=O)(=O)NCc2ccccc2C[NH+]2CCOCC2)cc1F ZINC000030324583 570488254 /nfs/dbraw/zinc/48/82/54/570488254.db2.gz FUZZIMVMFAIVSO-UHFFFAOYSA-N 1 2 394.468 2.145 50 0 GEAALO O=C(CCc1cccs1)N1CC[NH+](Cc2cc(=O)n3ccccc3n2)CC1 ZINC000030647973 570492950 /nfs/dbraw/zinc/49/29/50/570492950.db2.gz UTTUTFYMZKVWKA-UHFFFAOYSA-N 1 2 382.489 2.033 50 0 GEAALO Cc1nc(C(C)C)sc1C(=O)N[C@@H]1CC[N@H+](Cc2cscn2)C[C@H]1O ZINC000426628782 570502959 /nfs/dbraw/zinc/50/29/59/570502959.db2.gz PALLEXZYNCXLJT-ZIAGYGMSSA-N 1 2 380.539 2.397 50 0 GEAALO Cc1nc(C(C)C)sc1C(=O)N[C@@H]1CC[N@@H+](Cc2cscn2)C[C@H]1O ZINC000426628782 570502964 /nfs/dbraw/zinc/50/29/64/570502964.db2.gz PALLEXZYNCXLJT-ZIAGYGMSSA-N 1 2 380.539 2.397 50 0 GEAALO CN1C(=O)C(=C2C[C@H](c3ccccc3)N(c3ccccc3)[NH2+]2)C(=O)N(C)C1=O ZINC000005201021 570504717 /nfs/dbraw/zinc/50/47/17/570504717.db2.gz YHZRGNYFZYCZEE-QGZVFWFLSA-N 1 2 376.416 2.447 50 0 GEAALO Cc1c(OCC(=O)NCCCn2cc[nH+]c2)ccc2c3c(c(=O)oc12)CCC3 ZINC000006660190 570523748 /nfs/dbraw/zinc/52/37/48/570523748.db2.gz DYVVXYILZSXVAU-UHFFFAOYSA-N 1 2 381.432 2.372 50 0 GEAALO COc1ccc(C[N@H+](C)Cc2cc(=O)n3ccsc3n2)c(OC)c1OC ZINC000005262198 570531661 /nfs/dbraw/zinc/53/16/61/570531661.db2.gz RTNBFFHMVUBYHS-UHFFFAOYSA-N 1 2 375.450 2.414 50 0 GEAALO COc1ccc(C[N@@H+](C)Cc2cc(=O)n3ccsc3n2)c(OC)c1OC ZINC000005262198 570531665 /nfs/dbraw/zinc/53/16/65/570531665.db2.gz RTNBFFHMVUBYHS-UHFFFAOYSA-N 1 2 375.450 2.414 50 0 GEAALO O=C(COc1ccc2ccc(=O)oc2c1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000046616827 570543455 /nfs/dbraw/zinc/54/34/55/570543455.db2.gz XEXWFYCICGBGTM-UHFFFAOYSA-N 1 2 379.416 2.352 50 0 GEAALO O=S(=O)(c1ccc2c(c1)OCCO2)N1CC[NH+](CCc2ccccc2)CC1 ZINC000034878546 570546378 /nfs/dbraw/zinc/54/63/78/570546378.db2.gz HGNPSNJPAHKWLO-UHFFFAOYSA-N 1 2 388.489 2.007 50 0 GEAALO O=C(Cc1csc2nc(-c3ccc(F)cc3)cn12)NCC[NH+]1CCOCC1 ZINC000022852769 570556653 /nfs/dbraw/zinc/55/66/53/570556653.db2.gz BURWBUBRXSXGOS-UHFFFAOYSA-N 1 2 388.468 2.193 50 0 GEAALO Cc1ccccc1CC(=O)Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1 ZINC000035800934 570557584 /nfs/dbraw/zinc/55/75/84/570557584.db2.gz VZWNIBZTBNWFNM-UHFFFAOYSA-N 1 2 387.505 2.112 50 0 GEAALO CC(=O)Nc1ccc(S(=O)(=O)N2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000035802442 570558068 /nfs/dbraw/zinc/55/80/68/570558068.db2.gz ACXOCVNCQUTKCD-UHFFFAOYSA-N 1 2 387.505 2.194 50 0 GEAALO O=C(CCC1CCCCC1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000038522550 570579635 /nfs/dbraw/zinc/57/96/35/570579635.db2.gz NNWUOLJTPIDYNO-UHFFFAOYSA-N 1 2 387.528 2.322 50 0 GEAALO O=C(CCC1CCCCC1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000038522550 570579637 /nfs/dbraw/zinc/57/96/37/570579637.db2.gz NNWUOLJTPIDYNO-UHFFFAOYSA-N 1 2 387.528 2.322 50 0 GEAALO COc1ccc(C(=O)N2CCN(c3cc(N4CCCCC4)[nH+]cn3)CC2)cc1 ZINC000038528413 570580255 /nfs/dbraw/zinc/58/02/55/570580255.db2.gz XEPVMJFYNOVTTE-UHFFFAOYSA-N 1 2 381.480 2.438 50 0 GEAALO COc1ccc(C(=O)N2CCN(c3cc(N4CCCCC4)nc[nH+]3)CC2)cc1 ZINC000038528413 570580258 /nfs/dbraw/zinc/58/02/58/570580258.db2.gz XEPVMJFYNOVTTE-UHFFFAOYSA-N 1 2 381.480 2.438 50 0 GEAALO CC(C)(C)C(=O)N1CC[NH+]([C@H](C(=O)NCc2ccccn2)C2CCCC2)CC1 ZINC000036253558 570588046 /nfs/dbraw/zinc/58/80/46/570588046.db2.gz ZLBZIMUDZNTHCN-IBGZPJMESA-N 1 2 386.540 2.447 50 0 GEAALO O=C(NC[C@H]1CCCO1)[C@H](C1CCCC1)[NH+]1CCN(C(=O)C2CCCC2)CC1 ZINC000036253939 570588108 /nfs/dbraw/zinc/58/81/08/570588108.db2.gz WWEGUIFTNAPDQA-UXHICEINSA-N 1 2 391.556 2.175 50 0 GEAALO O=C(NC1CCCCC1)c1[nH]cnc1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000033003820 570618127 /nfs/dbraw/zinc/61/81/27/570618127.db2.gz GDIJQEQIKDXFQY-UHFFFAOYSA-N 1 2 395.507 2.430 50 0 GEAALO O=C(C[N@@H+]1CCc2ccccc2C1)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000036380044 570653234 /nfs/dbraw/zinc/65/32/34/570653234.db2.gz DVFWOWVRQKKXOI-HXUWFJFHSA-N 1 2 384.501 2.265 50 0 GEAALO O=C(C[N@H+]1CCc2ccccc2C1)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000036380044 570653237 /nfs/dbraw/zinc/65/32/37/570653237.db2.gz DVFWOWVRQKKXOI-HXUWFJFHSA-N 1 2 384.501 2.265 50 0 GEAALO O=C(C[NH+]1CCN(C(=O)Cc2cccc(C(F)(F)F)c2)CC1)N1CCCC1 ZINC000036383854 570654687 /nfs/dbraw/zinc/65/46/87/570654687.db2.gz SRPGUKDVLPHSES-UHFFFAOYSA-N 1 2 383.414 2.015 50 0 GEAALO COc1ccc(S(=O)(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)cc1OC ZINC000036385515 570657645 /nfs/dbraw/zinc/65/76/45/570657645.db2.gz CFYGDUFAIQNIPC-KRWDZBQOSA-N 1 2 376.478 2.381 50 0 GEAALO COc1ccc(S(=O)(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)cc1OC ZINC000036385515 570657651 /nfs/dbraw/zinc/65/76/51/570657651.db2.gz CFYGDUFAIQNIPC-KRWDZBQOSA-N 1 2 376.478 2.381 50 0 GEAALO COCCN1CC[C@H]([N@@H+]2CCCN(C(=O)c3ccc(C(C)C)cc3)CC2)C1=O ZINC000169792408 570697502 /nfs/dbraw/zinc/69/75/02/570697502.db2.gz QBRZQHKQZPSFFR-FQEVSTJZSA-N 1 2 387.524 2.205 50 0 GEAALO COCCN1CC[C@H]([N@H+]2CCCN(C(=O)c3ccc(C(C)C)cc3)CC2)C1=O ZINC000169792408 570697504 /nfs/dbraw/zinc/69/75/04/570697504.db2.gz QBRZQHKQZPSFFR-FQEVSTJZSA-N 1 2 387.524 2.205 50 0 GEAALO C[C@H]1CC(C)(C)NC(=S)N1CCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000003654911 570699813 /nfs/dbraw/zinc/69/98/13/570699813.db2.gz UDAOECNBZQKYNP-INIZCTEOSA-N 1 2 389.569 2.258 50 0 GEAALO CC1CCC2(CC1)NC(=O)N(NC(=O)C[N@H+](C)Cc1cccc(Cl)c1)C2=O ZINC000006975764 570725357 /nfs/dbraw/zinc/72/53/57/570725357.db2.gz ZTIXZUQPAXQOAS-UHFFFAOYSA-N 1 2 392.887 2.304 50 0 GEAALO CC1CCC2(CC1)NC(=O)N(NC(=O)C[N@@H+](C)Cc1cccc(Cl)c1)C2=O ZINC000006975764 570725360 /nfs/dbraw/zinc/72/53/60/570725360.db2.gz ZTIXZUQPAXQOAS-UHFFFAOYSA-N 1 2 392.887 2.304 50 0 GEAALO CC(C)S(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000181071167 570726397 /nfs/dbraw/zinc/72/63/97/570726397.db2.gz JXHHMYWIFFTGFV-QGZVFWFLSA-N 1 2 387.505 2.201 50 0 GEAALO CC1=C(C(N)=O)[C@H](c2cccc(O)c2)N2NC(c3ccc(Cl)cc3)=NC2=[NH+]1 ZINC000000940678 570731598 /nfs/dbraw/zinc/73/15/98/570731598.db2.gz CKVYRQPSPMJFAB-INIZCTEOSA-N 1 2 381.823 2.483 50 0 GEAALO COc1ccc(C[NH+]2CCN(C(=O)CNC(=O)c3ccccc3C)CC2)cc1F ZINC000012984124 570736683 /nfs/dbraw/zinc/73/66/83/570736683.db2.gz VMWVKJINABWUFB-UHFFFAOYSA-N 1 2 399.466 2.217 50 0 GEAALO COc1ccc(S(=O)(=O)NCCC[N@@H+]2CCO[C@@H](c3ccccc3)C2)cc1 ZINC000036700256 570795205 /nfs/dbraw/zinc/79/52/05/570795205.db2.gz QVKLBNDSAGYIJX-HXUWFJFHSA-N 1 2 390.505 2.437 50 0 GEAALO COc1ccc(S(=O)(=O)NCCC[N@H+]2CCO[C@@H](c3ccccc3)C2)cc1 ZINC000036700256 570795209 /nfs/dbraw/zinc/79/52/09/570795209.db2.gz QVKLBNDSAGYIJX-HXUWFJFHSA-N 1 2 390.505 2.437 50 0 GEAALO C[C@@H](C(=O)Nc1cccc(F)c1)N1CC[NH+](CC(=O)N2CCCCCC2)CC1 ZINC000032797343 570819448 /nfs/dbraw/zinc/81/94/48/570819448.db2.gz LLBLHJKHRMHEOU-KRWDZBQOSA-N 1 2 390.503 2.173 50 0 GEAALO COc1ccc2cc([C@@H]3CN(C(=O)c4cn5c(n4)C[NH2+]CC5)CCO3)ccc2c1 ZINC000072149456 570872579 /nfs/dbraw/zinc/87/25/79/570872579.db2.gz IFTOIKCXSOXEPW-FQEVSTJZSA-N 1 2 392.459 2.362 50 0 GEAALO CC(C)[C@@H](NC(=O)c1cccs1)C(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000170619966 570876494 /nfs/dbraw/zinc/87/64/94/570876494.db2.gz DCIUXSZRVPMRGI-QGZVFWFLSA-N 1 2 375.494 2.440 50 0 GEAALO C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)C[N@@H+]2CCC[C@H]2c2cccs2)C1=O ZINC000103262061 570880611 /nfs/dbraw/zinc/88/06/11/570880611.db2.gz OSICHMUZODXZRO-YWZLYKJASA-N 1 2 398.488 2.383 50 0 GEAALO C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)C[N@H+]2CCC[C@H]2c2cccs2)C1=O ZINC000103262061 570880615 /nfs/dbraw/zinc/88/06/15/570880615.db2.gz OSICHMUZODXZRO-YWZLYKJASA-N 1 2 398.488 2.383 50 0 GEAALO Cc1cc(C[NH+]2CCN(CC(=O)Nc3ccccc3OC(F)F)CC2)on1 ZINC000022253441 570884780 /nfs/dbraw/zinc/88/47/80/570884780.db2.gz WRIXSRAZWVEFOA-UHFFFAOYSA-N 1 2 380.395 2.341 50 0 GEAALO C[C@H]1C[NH+](CCNC(=O)c2cnn(Cc3ccccc3Cl)c2)C[C@H](C)O1 ZINC000032903666 570900316 /nfs/dbraw/zinc/90/03/16/570900316.db2.gz BPDYPXRHGFHSBQ-GJZGRUSLSA-N 1 2 376.888 2.424 50 0 GEAALO Cc1noc(C)c1S(=O)(=O)N1CCC[N@H+](C[C@H]2CC2(Cl)Cl)CC1 ZINC000252444222 570957529 /nfs/dbraw/zinc/95/75/29/570957529.db2.gz VIQNYHDYMXHINA-GFCCVEGCSA-N 1 2 382.313 2.182 50 0 GEAALO Cc1noc(C)c1S(=O)(=O)N1CCC[N@@H+](C[C@H]2CC2(Cl)Cl)CC1 ZINC000252444222 570957532 /nfs/dbraw/zinc/95/75/32/570957532.db2.gz VIQNYHDYMXHINA-GFCCVEGCSA-N 1 2 382.313 2.182 50 0 GEAALO CCN1CC[NH+](C2(C(=O)N(C)[C@@H](C)c3ccon3)Cc3ccccc3C2)CC1 ZINC000019220607 570962862 /nfs/dbraw/zinc/96/28/62/570962862.db2.gz PIEJSOQIBUESKE-KRWDZBQOSA-N 1 2 382.508 2.369 50 0 GEAALO CC(=O)Nc1ccc(S(=O)(=O)N2CCC(Oc3cc[nH+]cc3)CC2)cc1 ZINC000252484817 570968937 /nfs/dbraw/zinc/96/89/37/570968937.db2.gz GIQGSSGXLFQMCR-UHFFFAOYSA-N 1 2 375.450 2.272 50 0 GEAALO Cc1cccc(OCCNC(=O)Cn2c3ccccc3[nH+]c2NC[C@H](C)O)c1 ZINC000019296432 570973544 /nfs/dbraw/zinc/97/35/44/570973544.db2.gz NQNZIUOVGDXBFD-INIZCTEOSA-N 1 2 382.464 2.333 50 0 GEAALO CN1c2ccccc2[C@]2(NC(=N)NC(Nc3cccc(C(F)(F)F)c3)=[NH+]2)C1=O ZINC000019325378 570974683 /nfs/dbraw/zinc/97/46/83/570974683.db2.gz WHBCOSAUIBTTQK-QGZVFWFLSA-N 1 2 388.353 2.221 50 0 GEAALO CCCCOCC(=O)N1CCC[C@@]2(CCC(=O)N(CCc3c[nH+]c[nH]3)C2)C1 ZINC000091288689 571002427 /nfs/dbraw/zinc/00/24/27/571002427.db2.gz FUXFVSHHOANZDU-HXUWFJFHSA-N 1 2 376.501 2.000 50 0 GEAALO CCCCOCC(=O)N1CCC[C@@]2(CCC(=O)N(CCc3c[nH]c[nH+]3)C2)C1 ZINC000091288689 571002430 /nfs/dbraw/zinc/00/24/30/571002430.db2.gz FUXFVSHHOANZDU-HXUWFJFHSA-N 1 2 376.501 2.000 50 0 GEAALO CCc1ocnc1C(=O)N1CCC[C@@]2(CCC(=O)N(CCc3c[nH+]c[nH]3)C2)C1 ZINC000091468233 571009996 /nfs/dbraw/zinc/00/99/96/571009996.db2.gz LIJSODDRUOFJEK-FQEVSTJZSA-N 1 2 385.468 2.048 50 0 GEAALO CCc1ocnc1C(=O)N1CCC[C@@]2(CCC(=O)N(CCc3c[nH]c[nH+]3)C2)C1 ZINC000091468233 571009997 /nfs/dbraw/zinc/00/99/97/571009997.db2.gz LIJSODDRUOFJEK-FQEVSTJZSA-N 1 2 385.468 2.048 50 0 GEAALO C[NH+](C)[C@@H](C(=O)NC1CCN(C(=O)N2CCCC2)CC1)c1ccccc1F ZINC000095366810 571058905 /nfs/dbraw/zinc/05/89/05/571058905.db2.gz XBEKIAUYHMWXPX-GOSISDBHSA-N 1 2 376.476 2.225 50 0 GEAALO CCSc1ncc(C[N@@H+]2C[C@H]3CC[C@@H]2CN(C(=O)c2cnccn2)C3)cn1 ZINC000095376828 571064669 /nfs/dbraw/zinc/06/46/69/571064669.db2.gz WDAUJJWUMVTSHN-GDBMZVCRSA-N 1 2 384.509 2.115 50 0 GEAALO CCSc1ncc(C[N@H+]2C[C@H]3CC[C@@H]2CN(C(=O)c2cnccn2)C3)cn1 ZINC000095376828 571064672 /nfs/dbraw/zinc/06/46/72/571064672.db2.gz WDAUJJWUMVTSHN-GDBMZVCRSA-N 1 2 384.509 2.115 50 0 GEAALO C[N@@H+]1Cc2ccccc2C[C@H]1C(=O)NCc1noc(-c2ccc3c(c2)OCO3)n1 ZINC000095389502 571072184 /nfs/dbraw/zinc/07/21/84/571072184.db2.gz JBZKWDIWGLXXIP-INIZCTEOSA-N 1 2 392.415 2.138 50 0 GEAALO C[N@H+]1Cc2ccccc2C[C@H]1C(=O)NCc1noc(-c2ccc3c(c2)OCO3)n1 ZINC000095389502 571072188 /nfs/dbraw/zinc/07/21/88/571072188.db2.gz JBZKWDIWGLXXIP-INIZCTEOSA-N 1 2 392.415 2.138 50 0 GEAALO CCc1noc(C[N@@H+]2CCC[C@]3(CCC(=O)N(Cc4cnc(C)cn4)C3)C2)n1 ZINC000091932070 230970676 /nfs/dbraw/zinc/97/06/76/230970676.db2.gz DVKOFTRRCXUSJI-FQEVSTJZSA-N 1 2 384.484 2.135 50 0 GEAALO CCc1noc(C[N@H+]2CCC[C@]3(CCC(=O)N(Cc4cnc(C)cn4)C3)C2)n1 ZINC000091932070 230970678 /nfs/dbraw/zinc/97/06/78/230970678.db2.gz DVKOFTRRCXUSJI-FQEVSTJZSA-N 1 2 384.484 2.135 50 0 GEAALO O=C(CCc1nc2ccccc2[nH]c1=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000095357299 230977226 /nfs/dbraw/zinc/97/72/26/230977226.db2.gz NNRSPYBGYICOBA-UHFFFAOYSA-N 1 2 377.448 2.354 50 0 GEAALO Cc1nc(C)c(CNC(=O)C[C@H]2C(=O)NCC[N@H+]2Cc2ccccc2C)s1 ZINC000426726948 231255881 /nfs/dbraw/zinc/25/58/81/231255881.db2.gz VFXDSGUFERZAFO-KRWDZBQOSA-N 1 2 386.521 2.075 50 0 GEAALO Cc1nc(C)c(CNC(=O)C[C@H]2C(=O)NCC[N@@H+]2Cc2ccccc2C)s1 ZINC000426726948 231255884 /nfs/dbraw/zinc/25/58/84/231255884.db2.gz VFXDSGUFERZAFO-KRWDZBQOSA-N 1 2 386.521 2.075 50 0 GEAALO COc1nccnc1O[C@H]1CCN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000225806065 222697378 /nfs/dbraw/zinc/69/73/78/222697378.db2.gz KMDQXXMWKIARBD-KRWDZBQOSA-N 1 2 379.420 2.024 50 0 GEAALO Cn1cc(Br)c(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)n1 ZINC000019841787 531579963 /nfs/dbraw/zinc/57/99/63/531579963.db2.gz SIVDQBZOPMFJGD-UHFFFAOYSA-N 1 2 379.258 2.267 50 0 GEAALO C[NH+]1CCN(C(=O)CSc2nnc(COc3ccc(Cl)cc3)o2)CC1 ZINC000020029401 531580022 /nfs/dbraw/zinc/58/00/22/531580022.db2.gz QZEXOWZIZLJXJP-UHFFFAOYSA-N 1 2 382.873 2.168 50 0 GEAALO CCOC(=O)[C@@H]([NH3+])CS[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O ZINC000001259195 212232526 /nfs/dbraw/zinc/23/25/26/212232526.db2.gz JPLJLTKJJCDXKY-NWDGAFQWSA-N 1 2 391.276 2.249 50 0 GEAALO COc1cccc(NC(=O)C(=O)NC[C@H](c2ccoc2)[NH+]2CCSCC2)c1 ZINC000245039182 212133421 /nfs/dbraw/zinc/13/34/21/212133421.db2.gz OJIGCHZJTZLDOE-QGZVFWFLSA-N 1 2 389.477 2.133 50 0 GEAALO O=C(Cn1c(=O)oc2ccccc21)NC[C@H](c1ccco1)[NH+]1CCSCC1 ZINC000240067708 212133384 /nfs/dbraw/zinc/13/33/84/212133384.db2.gz RZKTUUAZMIYCPS-OAHLLOKOSA-N 1 2 387.461 2.094 50 0 GEAALO COc1ccc(OC)c([C@H]2CCC[N@@H+]2CC(=O)NC(=O)NCc2ccco2)c1 ZINC000007718406 221006859 /nfs/dbraw/zinc/00/68/59/221006859.db2.gz NAJLGFPYYPTLLL-QGZVFWFLSA-N 1 2 387.436 2.460 50 0 GEAALO COc1ccc(OC)c([C@H]2CCC[N@H+]2CC(=O)NC(=O)NCc2ccco2)c1 ZINC000007718406 221006861 /nfs/dbraw/zinc/00/68/61/221006861.db2.gz NAJLGFPYYPTLLL-QGZVFWFLSA-N 1 2 387.436 2.460 50 0 GEAALO NC(=O)c1ccsc1NC(=O)C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000008232423 221031516 /nfs/dbraw/zinc/03/15/16/221031516.db2.gz CLWHIMJWEQXPTR-AWEZNQCLSA-N 1 2 387.461 2.394 50 0 GEAALO NC(=O)c1ccsc1NC(=O)C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000008232423 221031518 /nfs/dbraw/zinc/03/15/18/221031518.db2.gz CLWHIMJWEQXPTR-AWEZNQCLSA-N 1 2 387.461 2.394 50 0 GEAALO C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)C[N@@H+]2CCC[C@@H]2c2cccs2)C1=O ZINC000008341026 221037842 /nfs/dbraw/zinc/03/78/42/221037842.db2.gz OSICHMUZODXZRO-QRWLVFNGSA-N 1 2 398.488 2.383 50 0 GEAALO C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)C[N@H+]2CCC[C@@H]2c2cccs2)C1=O ZINC000008341026 221037843 /nfs/dbraw/zinc/03/78/43/221037843.db2.gz OSICHMUZODXZRO-QRWLVFNGSA-N 1 2 398.488 2.383 50 0 GEAALO CC1(C)CC(NC(=O)CCNc2nc(Cl)nc3[nH]cnc32)CC(C)(C)[NH2+]1 ZINC000008990488 221066289 /nfs/dbraw/zinc/06/62/89/221066289.db2.gz CXSFPWOGXNCPFI-UHFFFAOYSA-N 1 2 379.896 2.234 50 0 GEAALO CC[N@H+](CCCNC(=O)CNC(=O)c1ccc2c(c1)OCO2)c1ccccc1 ZINC000009154856 221071686 /nfs/dbraw/zinc/07/16/86/221071686.db2.gz NGWMZMFRHDOQLO-UHFFFAOYSA-N 1 2 383.448 2.178 50 0 GEAALO CC[N@@H+](CCCNC(=O)CNC(=O)c1ccc2c(c1)OCO2)c1ccccc1 ZINC000009154856 221071696 /nfs/dbraw/zinc/07/16/96/221071696.db2.gz NGWMZMFRHDOQLO-UHFFFAOYSA-N 1 2 383.448 2.178 50 0 GEAALO O=c1cc(CN(c2cc[nH+]cc2)S(=O)(=O)c2ccccc2)nc2ccccn12 ZINC000010537471 221104704 /nfs/dbraw/zinc/10/47/04/221104704.db2.gz PIYORKJPOQXMLY-UHFFFAOYSA-N 1 2 392.440 2.485 50 0 GEAALO O=S(=O)(NC[C@H]1CCC[N@H+](Cc2cc[nH]n2)C1)c1cccc2cccnc21 ZINC000011753782 221125106 /nfs/dbraw/zinc/12/51/06/221125106.db2.gz SBVBGRQUXSVVHJ-OAHLLOKOSA-N 1 2 385.493 2.148 50 0 GEAALO O=S(=O)(NC[C@H]1CCC[N@@H+](Cc2cc[nH]n2)C1)c1cccc2cccnc21 ZINC000011753782 221125110 /nfs/dbraw/zinc/12/51/10/221125110.db2.gz SBVBGRQUXSVVHJ-OAHLLOKOSA-N 1 2 385.493 2.148 50 0 GEAALO Cc1c[nH]c(CN(C)C(=O)C2([N@H+]3C[C@@H](C)O[C@@H](C)C3)Cc3ccccc3C2)n1 ZINC000011819291 221128729 /nfs/dbraw/zinc/12/87/29/221128729.db2.gz GBGMPAQKWJDIQN-CALCHBBNSA-N 1 2 382.508 2.323 50 0 GEAALO Cc1c[nH]c(CN(C)C(=O)C2([N@@H+]3C[C@@H](C)O[C@@H](C)C3)Cc3ccccc3C2)n1 ZINC000011819291 221128730 /nfs/dbraw/zinc/12/87/30/221128730.db2.gz GBGMPAQKWJDIQN-CALCHBBNSA-N 1 2 382.508 2.323 50 0 GEAALO COc1ccc(C[N@@H+]2CCNC(=O)[C@H]2CC(=O)N2CCCCCC2)c(C)c1C ZINC000011838715 221131150 /nfs/dbraw/zinc/13/11/50/221131150.db2.gz NQQMRAWDTWJXJC-LJQANCHMSA-N 1 2 387.524 2.405 50 0 GEAALO COc1ccc(C[N@H+]2CCNC(=O)[C@H]2CC(=O)N2CCCCCC2)c(C)c1C ZINC000011838715 221131152 /nfs/dbraw/zinc/13/11/52/221131152.db2.gz NQQMRAWDTWJXJC-LJQANCHMSA-N 1 2 387.524 2.405 50 0 GEAALO O=C(NCCc1cn2ccccc2[nH+]1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000012507341 221199922 /nfs/dbraw/zinc/19/99/22/221199922.db2.gz JVXSUDVPDSLZRB-UHFFFAOYSA-N 1 2 398.488 2.091 50 0 GEAALO COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cc[nH+]c(C)c2)c1 ZINC000012517023 221200275 /nfs/dbraw/zinc/20/02/75/221200275.db2.gz BLNOMNUXYUKYKM-UHFFFAOYSA-N 1 2 383.857 2.220 50 0 GEAALO Cn1cc[nH+]c1[C@@H](NC(=O)CNC(=O)c1ccccc1F)c1ccc(F)cc1 ZINC000012575070 221208086 /nfs/dbraw/zinc/20/80/86/221208086.db2.gz BMAGAUPUGNMTHN-SFHVURJKSA-N 1 2 384.386 2.334 50 0 GEAALO O=C(NCC[NH+]1CCOCC1)/C(=C/c1ccc(F)cc1)NC(=O)c1ccccc1 ZINC000012377898 221186066 /nfs/dbraw/zinc/18/60/66/221186066.db2.gz DLCROQIDGOANGO-SILNSSARSA-N 1 2 397.450 2.045 50 0 GEAALO O=S1(=O)CC[C@@H]([N@@H+](Cc2cccc(F)c2)C[C@H](O)COc2ccccc2)C1 ZINC000012409540 221190087 /nfs/dbraw/zinc/19/00/87/221190087.db2.gz VUGPSJAOWQXUAT-MOPGFXCFSA-N 1 2 393.480 2.255 50 0 GEAALO O=S1(=O)CC[C@@H]([N@H+](Cc2cccc(F)c2)C[C@H](O)COc2ccccc2)C1 ZINC000012409540 221190090 /nfs/dbraw/zinc/19/00/90/221190090.db2.gz VUGPSJAOWQXUAT-MOPGFXCFSA-N 1 2 393.480 2.255 50 0 GEAALO Cc1cccc(N2C[C@@H](C(=O)N3CC[NH+](Cc4ccncc4)CC3)CC2=O)c1C ZINC000012734339 221222742 /nfs/dbraw/zinc/22/27/42/221222742.db2.gz LCKCTBDSABNTOJ-FQEVSTJZSA-N 1 2 392.503 2.396 50 0 GEAALO O=C(C[C@H]1C(=O)NCC[N@H+]1Cc1ccc(-c2ccccc2)cc1)N1CCCO1 ZINC000012593545 221211844 /nfs/dbraw/zinc/21/18/44/221211844.db2.gz OUMGIKCKRYTCHX-FQEVSTJZSA-N 1 2 379.460 2.208 50 0 GEAALO O=C(C[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(-c2ccccc2)cc1)N1CCCO1 ZINC000012593545 221211846 /nfs/dbraw/zinc/21/18/46/221211846.db2.gz OUMGIKCKRYTCHX-FQEVSTJZSA-N 1 2 379.460 2.208 50 0 GEAALO COc1ccc(CCNC(=O)C[C@@H]2C(=O)NCC[N@H+]2Cc2ccccc2C)cc1 ZINC000012750657 221224877 /nfs/dbraw/zinc/22/48/77/221224877.db2.gz IJGQQJUDBCILNR-OAQYLSRUSA-N 1 2 395.503 2.053 50 0 GEAALO COc1ccc(CCNC(=O)C[C@@H]2C(=O)NCC[N@@H+]2Cc2ccccc2C)cc1 ZINC000012750657 221224879 /nfs/dbraw/zinc/22/48/79/221224879.db2.gz IJGQQJUDBCILNR-OAQYLSRUSA-N 1 2 395.503 2.053 50 0 GEAALO C[C@H](C(=O)c1c[nH]c2ccccc12)[NH+]1CCN(c2ncnc3c2cnn3C)CC1 ZINC000012987080 221253025 /nfs/dbraw/zinc/25/30/25/221253025.db2.gz MBLSUBFCSYZKKW-CQSZACIVSA-N 1 2 389.463 2.238 50 0 GEAALO C[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)/C=C/c3cccs3)cc2)CC1 ZINC000013001162 221255452 /nfs/dbraw/zinc/25/54/52/221255452.db2.gz GDNAZSUMZDOLFP-RMKNXTFCSA-N 1 2 391.518 2.336 50 0 GEAALO O=C(C[C@H]1C(=O)NCC[N@H+]1Cc1cccc(Oc2ccccc2)c1)N1CCCO1 ZINC000013594990 221277378 /nfs/dbraw/zinc/27/73/78/221277378.db2.gz QINKTHYQBYLDPZ-FQEVSTJZSA-N 1 2 395.459 2.333 50 0 GEAALO O=C(C[C@H]1C(=O)NCC[N@@H+]1Cc1cccc(Oc2ccccc2)c1)N1CCCO1 ZINC000013594990 221277381 /nfs/dbraw/zinc/27/73/81/221277381.db2.gz QINKTHYQBYLDPZ-FQEVSTJZSA-N 1 2 395.459 2.333 50 0 GEAALO O=C(Cn1c(=O)cnc2ccccc21)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000014076468 221296965 /nfs/dbraw/zinc/29/69/65/221296965.db2.gz XNBWDGBLPCPQCS-UHFFFAOYSA-N 1 2 396.878 2.394 50 0 GEAALO CC(=O)c1ccc(OCC(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000014301074 221308147 /nfs/dbraw/zinc/30/81/47/221308147.db2.gz IJJKLNIYKGTPKC-UHFFFAOYSA-N 1 2 396.443 2.341 50 0 GEAALO Cc1ccccc1C[N@@H+]1CCNC(=O)[C@@H]1CC(=O)NCCc1ccccc1F ZINC000015064151 221327488 /nfs/dbraw/zinc/32/74/88/221327488.db2.gz FPTCJRCGXHODCJ-FQEVSTJZSA-N 1 2 383.467 2.184 50 0 GEAALO Cc1ccccc1C[N@H+]1CCNC(=O)[C@@H]1CC(=O)NCCc1ccccc1F ZINC000015064151 221327490 /nfs/dbraw/zinc/32/74/90/221327490.db2.gz FPTCJRCGXHODCJ-FQEVSTJZSA-N 1 2 383.467 2.184 50 0 GEAALO C[N@@H+]1CCc2nc(NC(=O)CCCS(=O)(=O)c3ccc(F)cc3)sc2C1 ZINC000015880148 221350998 /nfs/dbraw/zinc/35/09/98/221350998.db2.gz JCDMQVAICHDTRU-UHFFFAOYSA-N 1 2 397.497 2.463 50 0 GEAALO C[N@H+]1CCc2nc(NC(=O)CCCS(=O)(=O)c3ccc(F)cc3)sc2C1 ZINC000015880148 221351002 /nfs/dbraw/zinc/35/10/02/221351002.db2.gz JCDMQVAICHDTRU-UHFFFAOYSA-N 1 2 397.497 2.463 50 0 GEAALO C[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)c3c(F)cccc3F)cc2)CC1 ZINC000016602497 221366817 /nfs/dbraw/zinc/36/68/17/221366817.db2.gz PMLQABIYVHKNKF-UHFFFAOYSA-N 1 2 395.431 2.153 50 0 GEAALO O=C1C[C@@H]([NH+]2CCN(c3ccccn3)CC2)C(=O)N1Cc1ccc(Cl)cc1 ZINC000018166580 221389319 /nfs/dbraw/zinc/38/93/19/221389319.db2.gz XPYMOUVVEYUHLS-QGZVFWFLSA-N 1 2 384.867 2.185 50 0 GEAALO O=C(CCC(=O)N1CCc2ccccc2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000018249480 221391025 /nfs/dbraw/zinc/39/10/25/221391025.db2.gz FCNOWXPOXFJYOJ-UHFFFAOYSA-N 1 2 378.476 2.095 50 0 GEAALO CNC(=O)C[NH+]1CCN(c2ncnc3scc(-c4ccc(OC)cc4)c32)CC1 ZINC000057681908 136153775 /nfs/dbraw/zinc/15/37/75/136153775.db2.gz RIJHLPZSVSMHIC-UHFFFAOYSA-N 1 2 397.504 2.235 50 0 GEAALO CNc1snc(C)c1C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000058194897 136154990 /nfs/dbraw/zinc/15/49/90/136154990.db2.gz VIYSKTZZXZPGKA-TXEJJXNPSA-N 1 2 375.498 2.432 50 0 GEAALO O=C(NCc1cccc(Cl)c1)c1cn(-c2cc(N3CCOCC3)[nH+]cn2)cn1 ZINC000065239956 136161068 /nfs/dbraw/zinc/16/10/68/136161068.db2.gz WNHVFTXWFUUBJH-UHFFFAOYSA-N 1 2 398.854 2.082 50 0 GEAALO COc1ccc(CNC(=O)Cn2ncc3c2nc[nH+]c3N2CCCCC2)cc1 ZINC000065295016 136162807 /nfs/dbraw/zinc/16/28/07/136162807.db2.gz JWYHVJOUFCJHEW-UHFFFAOYSA-N 1 2 380.452 2.142 50 0 GEAALO Cc1[nH+]cn(-c2cc(N3CCN(C(=O)Cc4ccc(F)cc4)CC3)ncn2)c1C ZINC000072437625 136170470 /nfs/dbraw/zinc/17/04/70/136170470.db2.gz KGBIKTPQMNNTQI-UHFFFAOYSA-N 1 2 394.454 2.310 50 0 GEAALO Cc1noc2ncnc(N3CCC4(CCC(=O)N(CCc5c[nH+]c[nH]5)C4)CC3)c12 ZINC000092078915 136177551 /nfs/dbraw/zinc/17/75/51/136177551.db2.gz VOFYJCPLYTZCKM-UHFFFAOYSA-N 1 2 395.467 2.101 50 0 GEAALO Cc1noc2ncnc(N3CCC4(CCC(=O)N(CCc5c[nH]c[nH+]5)C4)CC3)c12 ZINC000092078915 136177552 /nfs/dbraw/zinc/17/75/52/136177552.db2.gz VOFYJCPLYTZCKM-UHFFFAOYSA-N 1 2 395.467 2.101 50 0 GEAALO Cc1cc(N2CC[NH+]([C@H](C(=O)[O-])c3ccc4c(c3)OCCO4)CC2)cc(C)[nH+]1 ZINC000095385085 136178756 /nfs/dbraw/zinc/17/87/56/136178756.db2.gz FZSYPYUFPTUCDP-FQEVSTJZSA-N 1 2 383.448 2.418 50 0 GEAALO COc1cc(/C=C\C(=O)N2CCN(c3cccc[nH+]3)CC2)cc(OC)c1OC ZINC000096536731 136187333 /nfs/dbraw/zinc/18/73/33/136187333.db2.gz CNUQZRKZVDZZNO-FPLPWBNLSA-N 1 2 383.448 2.469 50 0 GEAALO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(Br)cc1)c1cccnc1 ZINC000057011238 222028624 /nfs/dbraw/zinc/02/86/24/222028624.db2.gz VQWLJPAXGIKSJB-OAHLLOKOSA-N 1 2 384.299 2.425 50 0 GEAALO CCOC(=O)C1C(C[NH+]2CCSCC2)=NC(=O)N[C@@H]1c1ccc(CC)cc1 ZINC000057478431 222033385 /nfs/dbraw/zinc/03/33/85/222033385.db2.gz LAPDHXQDDILFEF-GOSISDBHSA-N 1 2 389.521 2.469 50 0 GEAALO Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C(=O)NCC[NH+]1CCOCC1 ZINC000045973344 221967379 /nfs/dbraw/zinc/96/73/79/221967379.db2.gz JIPQAVZUSGBTNR-UHFFFAOYSA-N 1 2 376.888 2.264 50 0 GEAALO CC(C)[NH+]1CCN(S(=O)(=O)c2ccc(-c3nnc(C4CCC4)o3)o2)CC1 ZINC000065246434 222113896 /nfs/dbraw/zinc/11/38/96/222113896.db2.gz DMQIVHYSDDSPCZ-UHFFFAOYSA-N 1 2 380.470 2.312 50 0 GEAALO Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C(C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000058195844 222043742 /nfs/dbraw/zinc/04/37/42/222043742.db2.gz ANVWQEZFTKMBQK-QKLQHJQFSA-N 1 2 375.513 2.492 50 0 GEAALO Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000058195844 222043744 /nfs/dbraw/zinc/04/37/44/222043744.db2.gz ANVWQEZFTKMBQK-QKLQHJQFSA-N 1 2 375.513 2.492 50 0 GEAALO Cn1nc(C(=O)N2CCC(Cn3cc[nH+]c3-c3ccccc3)CC2)ccc1=O ZINC000062130143 222066557 /nfs/dbraw/zinc/06/65/57/222066557.db2.gz VSJYFSFWQIKXJM-UHFFFAOYSA-N 1 2 377.448 2.196 50 0 GEAALO CCCCS(=O)(=O)N1CC[NH+](CCCc2nc(-c3cccs3)no2)CC1 ZINC000064943223 222087749 /nfs/dbraw/zinc/08/77/49/222087749.db2.gz DDNABRMGNIKZTI-UHFFFAOYSA-N 1 2 398.554 2.478 50 0 GEAALO CCn1nc(C)c(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccc(C(N)=O)s2)c1C ZINC000065419411 222128079 /nfs/dbraw/zinc/12/80/79/222128079.db2.gz OUJIXWMAOPLVCZ-CYBMUJFWSA-N 1 2 375.498 2.456 50 0 GEAALO CCn1nc(C)c(NC(=O)C[N@H+]2CCC[C@@H]2c2ccc(C(N)=O)s2)c1C ZINC000065419411 222128083 /nfs/dbraw/zinc/12/80/83/222128083.db2.gz OUJIXWMAOPLVCZ-CYBMUJFWSA-N 1 2 375.498 2.456 50 0 GEAALO CC(C)[N@@H+]1CCn2nc(C(=O)N(C)Cc3noc(-c4ccccc4)n3)cc2C1 ZINC000065431029 222130042 /nfs/dbraw/zinc/13/00/42/222130042.db2.gz ZPLJPKFETRQMJE-UHFFFAOYSA-N 1 2 380.452 2.429 50 0 GEAALO CC(C)[N@H+]1CCn2nc(C(=O)N(C)Cc3noc(-c4ccccc4)n3)cc2C1 ZINC000065431029 222130049 /nfs/dbraw/zinc/13/00/49/222130049.db2.gz ZPLJPKFETRQMJE-UHFFFAOYSA-N 1 2 380.452 2.429 50 0 GEAALO COc1[nH]c2cn(C3CCCC3)c(=O)c-2cc1CNC(=O)[C@H](C)n1cc[nH+]c1 ZINC000071746928 222190008 /nfs/dbraw/zinc/19/00/08/222190008.db2.gz YYAJTGQLPJBZIZ-ZDUSSCGKSA-N 1 2 383.452 2.063 50 0 GEAALO Cc1cccc(NC(=O)c2ccc(CS(=O)(=O)N3CC[NH+](C)CC3)cc2)c1 ZINC000067612755 222151064 /nfs/dbraw/zinc/15/10/64/222151064.db2.gz JNRQGTQNWYMJCN-UHFFFAOYSA-N 1 2 387.505 2.325 50 0 GEAALO COc1cc(-c2cccs2)cc2c1OCC[N@H+](CC(=O)N1CCOCC1)C2 ZINC000067841216 222160684 /nfs/dbraw/zinc/16/06/84/222160684.db2.gz MKLIJOQZCKQLID-UHFFFAOYSA-N 1 2 388.489 2.477 50 0 GEAALO COc1cc(-c2cccs2)cc2c1OCC[N@@H+](CC(=O)N1CCOCC1)C2 ZINC000067841216 222160687 /nfs/dbraw/zinc/16/06/87/222160687.db2.gz MKLIJOQZCKQLID-UHFFFAOYSA-N 1 2 388.489 2.477 50 0 GEAALO Cc1c[nH+]c(C)nc1N1CCC([C@@]2(Cc3ccc(F)cc3)NC(=O)NC2=O)CC1 ZINC000067821435 222161463 /nfs/dbraw/zinc/16/14/63/222161463.db2.gz KTWXXNBBAVLYFN-OAQYLSRUSA-N 1 2 397.454 2.270 50 0 GEAALO COC(=O)Cc1cnc(NC(=O)C[N@@H+]2CCc3c4ccccc4[nH]c3C2)s1 ZINC000067847738 222164230 /nfs/dbraw/zinc/16/42/30/222164230.db2.gz JCCZNFRNVVHVNJ-UHFFFAOYSA-N 1 2 384.461 2.337 50 0 GEAALO COC(=O)Cc1cnc(NC(=O)C[N@H+]2CCc3c4ccccc4[nH]c3C2)s1 ZINC000067847738 222164233 /nfs/dbraw/zinc/16/42/33/222164233.db2.gz JCCZNFRNVVHVNJ-UHFFFAOYSA-N 1 2 384.461 2.337 50 0 GEAALO C[C@@H](NC(=O)N1CCN(c2cccc[nH+]2)CC1)C(=O)Nc1ccc2cc[nH]c2c1 ZINC000071328960 222181909 /nfs/dbraw/zinc/18/19/09/222181909.db2.gz BTYMPJIGLMWZCN-OAHLLOKOSA-N 1 2 392.463 2.422 50 0 GEAALO CCCS(=O)(=O)[C@H](C)C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000071792377 222198343 /nfs/dbraw/zinc/19/83/43/222198343.db2.gz VMYQXPPHSYYWCR-GOSISDBHSA-N 1 2 380.554 2.367 50 0 GEAALO CCCS(=O)(=O)[C@H](C)C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000071792377 222198346 /nfs/dbraw/zinc/19/83/46/222198346.db2.gz VMYQXPPHSYYWCR-GOSISDBHSA-N 1 2 380.554 2.367 50 0 GEAALO CSc1cccc(NC(=O)NCCNc2cc(N3CCOCC3)nc[nH+]2)c1 ZINC000072119142 222207848 /nfs/dbraw/zinc/20/78/48/222207848.db2.gz IZBZDZAFHGWRFE-UHFFFAOYSA-N 1 2 388.497 2.269 50 0 GEAALO CSc1cccc(NC(=O)NCCNc2cc(N3CCOCC3)[nH+]cn2)c1 ZINC000072119142 222207854 /nfs/dbraw/zinc/20/78/54/222207854.db2.gz IZBZDZAFHGWRFE-UHFFFAOYSA-N 1 2 388.497 2.269 50 0 GEAALO O=C(c1ccc2sc3c(c2c1)CCNC3=O)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000072129636 222209035 /nfs/dbraw/zinc/20/90/35/222209035.db2.gz KYIWVSITMVNDCO-OAHLLOKOSA-N 1 2 399.516 2.124 50 0 GEAALO O=C(NCc1ccccn1)C1CC[NH+](Cc2cn(-c3ccccc3)nn2)CC1 ZINC000072140217 222210749 /nfs/dbraw/zinc/21/07/49/222210749.db2.gz IQYZGDAJSMRLAC-UHFFFAOYSA-N 1 2 376.464 2.191 50 0 GEAALO O=S(=O)(N[C@@H]1CCC[N@H+](Cc2ccccn2)C1)c1ccc(-n2cccn2)cc1 ZINC000072157903 222213148 /nfs/dbraw/zinc/21/31/48/222213148.db2.gz MFDUQXSCTIPPCC-GOSISDBHSA-N 1 2 397.504 2.210 50 0 GEAALO O=S(=O)(N[C@@H]1CCC[N@@H+](Cc2ccccn2)C1)c1ccc(-n2cccn2)cc1 ZINC000072157903 222213152 /nfs/dbraw/zinc/21/31/52/222213152.db2.gz MFDUQXSCTIPPCC-GOSISDBHSA-N 1 2 397.504 2.210 50 0 GEAALO O=C(c1cccn1C1CC1)N1CC[C@@H]2[C@@H](CCC(=O)N2CCc2c[nH+]c[nH]2)C1 ZINC000072420031 222256500 /nfs/dbraw/zinc/25/65/00/222256500.db2.gz AHBOLAZJIDQNNL-MAUKXSAKSA-N 1 2 381.480 2.242 50 0 GEAALO O=C(c1cccn1C1CC1)N1CC[C@@H]2[C@@H](CCC(=O)N2CCc2c[nH]c[nH+]2)C1 ZINC000072420031 222256505 /nfs/dbraw/zinc/25/65/05/222256505.db2.gz AHBOLAZJIDQNNL-MAUKXSAKSA-N 1 2 381.480 2.242 50 0 GEAALO O=C(c1cnsn1)N1CCCn2nc(C[NH+]3CCC(F)(F)CC3)cc2C1 ZINC000072473619 222264913 /nfs/dbraw/zinc/26/49/13/222264913.db2.gz BLAMHMJLHPLWGZ-UHFFFAOYSA-N 1 2 382.440 2.012 50 0 GEAALO O=c1cccc2n1C[C@@H]1C[C@H]2C[N@H+](Cc2nc3cc(Cl)ccc3c(=O)[nH]2)C1 ZINC000085879102 222325378 /nfs/dbraw/zinc/32/53/78/222325378.db2.gz CBYJQMFPSVGCOL-OLZOCXBDSA-N 1 2 382.851 2.358 50 0 GEAALO O=c1cccc2n1C[C@@H]1C[C@H]2C[N@@H+](Cc2nc3cc(Cl)ccc3c(=O)[nH]2)C1 ZINC000085879102 222325382 /nfs/dbraw/zinc/32/53/82/222325382.db2.gz CBYJQMFPSVGCOL-OLZOCXBDSA-N 1 2 382.851 2.358 50 0 GEAALO COCC(=O)N1CCc2[nH]c[nH+]c2C12CCN(C(=O)c1ccc(C)c(C)c1)CC2 ZINC000095498056 222332282 /nfs/dbraw/zinc/33/22/82/222332282.db2.gz CQSIVHBANNWPQT-UHFFFAOYSA-N 1 2 396.491 2.189 50 0 GEAALO COCCn1cc[nH+]c1[C@H]1CCCN(C(=O)c2ccccc2-c2nc[nH]n2)C1 ZINC000095507152 222339605 /nfs/dbraw/zinc/33/96/05/222339605.db2.gz HJYBFNRXLWDCMQ-HNNXBMFYSA-N 1 2 380.452 2.334 50 0 GEAALO CC(=O)N[C@@H]1CN(C(=O)c2ccc(Cn3cc[nH+]c3)o2)C[C@H]1c1ccc(C)o1 ZINC000095508199 222340334 /nfs/dbraw/zinc/34/03/34/222340334.db2.gz GBWRFPPYQYSXOO-IAGOWNOFSA-N 1 2 382.420 2.170 50 0 GEAALO COCCn1cc[nH+]c1C1CCN(C(=O)c2cc3c(nc2OC)CCC3)CC1 ZINC000095510818 222342066 /nfs/dbraw/zinc/34/20/66/222342066.db2.gz LIECWFDEIMMXBU-UHFFFAOYSA-N 1 2 384.480 2.442 50 0 GEAALO O=C([C@@H]1CCOc2ccccc2C1)N1CC[NH+](Cc2ccccc2CO)CC1 ZINC000095510392 222342426 /nfs/dbraw/zinc/34/24/26/222342426.db2.gz YDFFAVLJQIRZDY-LJQANCHMSA-N 1 2 380.488 2.465 50 0 GEAALO O=C(c1cccn1C1CC1)N1CCC2(CC1)c1[nH+]c[nH]c1CCN2C(=O)C1CC1 ZINC000095519493 222346170 /nfs/dbraw/zinc/34/61/70/222346170.db2.gz HRNGTTJIKKUNMI-UHFFFAOYSA-N 1 2 393.491 2.472 50 0 GEAALO O=S(=O)(c1cnn(-c2ccccc2F)c1)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000095961646 222365435 /nfs/dbraw/zinc/36/54/35/222365435.db2.gz QASMLVQUFCVFOL-AWEZNQCLSA-N 1 2 375.429 2.061 50 0 GEAALO Cc1nc2cc(C(=O)N3CCC(c4nnc(C[NH+](C)C)n4C)CC3)ccc2[nH]1 ZINC000096165403 222395735 /nfs/dbraw/zinc/39/57/35/222395735.db2.gz SPHNPNPZANALEK-UHFFFAOYSA-N 1 2 381.484 2.081 50 0 GEAALO Cc1ccc(-c2cc(C(=O)N3CCC[C@H](c4nnc(C[NH+](C)C)n4C)C3)[nH]n2)o1 ZINC000426571747 534170757 /nfs/dbraw/zinc/17/07/57/534170757.db2.gz ZPWCJPAWCJBCGA-AWEZNQCLSA-N 1 2 397.483 2.188 50 0 GEAALO Cc1noc(C)c1C[N@@H+]1CCc2c(C(=O)NCC3(CO)CC3)csc2C1 ZINC000426488398 534361510 /nfs/dbraw/zinc/36/15/10/534361510.db2.gz VEYYSLCNUDEFOU-UHFFFAOYSA-N 1 2 375.494 2.414 50 0 GEAALO Cc1noc(C)c1C[N@H+]1CCc2c(C(=O)NCC3(CO)CC3)csc2C1 ZINC000426488398 534361517 /nfs/dbraw/zinc/36/15/17/534361517.db2.gz VEYYSLCNUDEFOU-UHFFFAOYSA-N 1 2 375.494 2.414 50 0 GEAALO CCCc1c[nH+]c(C)nc1N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](CCC(=O)[O-])C1 ZINC000091643873 535436458 /nfs/dbraw/zinc/43/64/58/535436458.db2.gz AELKHZMZSBMGDU-MOPGFXCFSA-N 1 2 389.544 2.045 50 0 GEAALO CCN1CC2(CCN(c3cc(N)[nH+]c(N)n3)CC2)C[C@@H](c2ccccc2)C1=O ZINC000091931583 535443532 /nfs/dbraw/zinc/44/35/32/535443532.db2.gz RTXXRODZYOLPJJ-INIZCTEOSA-N 1 2 380.496 2.264 50 0 GEAALO CCN1CC2(CCN(c3cc(N)nc(N)[nH+]3)CC2)C[C@@H](c2ccccc2)C1=O ZINC000091931583 535443538 /nfs/dbraw/zinc/44/35/38/535443538.db2.gz RTXXRODZYOLPJJ-INIZCTEOSA-N 1 2 380.496 2.264 50 0 GEAALO Cc1cc(CN2CCC[C@H]([NH+]3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)n[nH]1 ZINC000019743948 570213304 /nfs/dbraw/zinc/21/33/04/570213304.db2.gz AGZBKQVVVOCVPZ-FQEVSTJZSA-N 1 2 397.523 2.229 50 0 GEAALO Cn1cnc(S(=O)(=O)N2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)c1 ZINC000019835197 570223625 /nfs/dbraw/zinc/22/36/25/570223625.db2.gz BRDZRZRGCCRDSH-UHFFFAOYSA-N 1 2 394.500 2.496 50 0 GEAALO COCCCNC(=O)[C@H](C1CCCC1)[NH+]1CCN(C(=O)CC(C)(C)C)CC1 ZINC000096280276 570228141 /nfs/dbraw/zinc/22/81/41/570228141.db2.gz KWBZNNKVJQYUDC-IBGZPJMESA-N 1 2 381.561 2.278 50 0 GEAALO O=C(CSc1nnnn1-c1ccccc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019921115 570229797 /nfs/dbraw/zinc/22/97/97/570229797.db2.gz JELACTZEURAPDM-UHFFFAOYSA-N 1 2 394.504 2.099 50 0 GEAALO O=C(NCc1cc[nH+]c(N2CCOCC2)c1)Nc1cccc(-c2nnco2)c1 ZINC000044085818 570236338 /nfs/dbraw/zinc/23/63/38/570236338.db2.gz HUSBRSRIALSUQO-UHFFFAOYSA-N 1 2 380.408 2.290 50 0 GEAALO O=C(Nc1cc(C(F)(F)F)ccc1F)N1CCNC(=O)[C@H]1Cc1c[nH+]c[nH]1 ZINC000097117229 570236860 /nfs/dbraw/zinc/23/68/60/570236860.db2.gz HXUCLOYZEKZZCX-CYBMUJFWSA-N 1 2 385.321 2.143 50 0 GEAALO O=C(Nc1cc(C(F)(F)F)ccc1F)N1CCNC(=O)[C@H]1Cc1c[nH]c[nH+]1 ZINC000097117229 570236864 /nfs/dbraw/zinc/23/68/64/570236864.db2.gz HXUCLOYZEKZZCX-CYBMUJFWSA-N 1 2 385.321 2.143 50 0 GEAALO COC(=O)c1ccc(NC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000048374534 570249641 /nfs/dbraw/zinc/24/96/41/570249641.db2.gz PXZDFUIYDZBOJQ-LJQANCHMSA-N 1 2 383.448 2.496 50 0 GEAALO COC(=O)c1ccc(NC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000048374534 570249644 /nfs/dbraw/zinc/24/96/44/570249644.db2.gz PXZDFUIYDZBOJQ-LJQANCHMSA-N 1 2 383.448 2.496 50 0 GEAALO C[N@@H+]1CCc2c(sc3nc(NCCO)n(-c4cccc(Cl)c4)c(=O)c23)C1 ZINC000020357492 570252880 /nfs/dbraw/zinc/25/28/80/570252880.db2.gz NKYNIZCIVNKZKV-UHFFFAOYSA-N 1 2 390.896 2.493 50 0 GEAALO C[N@H+]1CCc2c(sc3nc(NCCO)n(-c4cccc(Cl)c4)c(=O)c23)C1 ZINC000020357492 570252883 /nfs/dbraw/zinc/25/28/83/570252883.db2.gz NKYNIZCIVNKZKV-UHFFFAOYSA-N 1 2 390.896 2.493 50 0 GEAALO C[C@@H]1C[N@H+](C2(C(=O)NCCc3cccnc3)Cc3ccccc3C2)C[C@H](C)O1 ZINC000020452589 570257596 /nfs/dbraw/zinc/25/75/96/570257596.db2.gz ZXJVRULYNQUZSN-HDICACEKSA-N 1 2 379.504 2.387 50 0 GEAALO C[C@@H]1C[N@@H+](C2(C(=O)NCCc3cccnc3)Cc3ccccc3C2)C[C@H](C)O1 ZINC000020452589 570257601 /nfs/dbraw/zinc/25/76/01/570257601.db2.gz ZXJVRULYNQUZSN-HDICACEKSA-N 1 2 379.504 2.387 50 0 GEAALO COCCNc1nc2nnnn2c2sc3c(c21)CC[N@@H+](Cc1ccccc1)C3 ZINC000020504086 570264755 /nfs/dbraw/zinc/26/47/55/570264755.db2.gz BVRUJMXSYAZCIV-UHFFFAOYSA-N 1 2 395.492 2.351 50 0 GEAALO COCCNc1nc2nnnn2c2sc3c(c21)CC[N@H+](Cc1ccccc1)C3 ZINC000020504086 570264756 /nfs/dbraw/zinc/26/47/56/570264756.db2.gz BVRUJMXSYAZCIV-UHFFFAOYSA-N 1 2 395.492 2.351 50 0 GEAALO CN(Cc1ccccc1)C(=O)c1cn(-c2cc(N3CCSCC3)[nH+]cn2)cn1 ZINC000049411302 570266494 /nfs/dbraw/zinc/26/64/94/570266494.db2.gz WLCSUJWQUNPOSO-UHFFFAOYSA-N 1 2 394.504 2.488 50 0 GEAALO COc1cccc(CNC(=O)c2cn(-c3cc(N4CCCC4)[nH+]cn3)cn2)c1 ZINC000049411240 570266509 /nfs/dbraw/zinc/26/65/09/570266509.db2.gz QWVBWAKKYUTDFP-UHFFFAOYSA-N 1 2 378.436 2.201 50 0 GEAALO O=C(NCc1ccccc1Cl)c1cn(-c2cc(N3CCOCC3)[nH+]cn2)cn1 ZINC000049411282 570266521 /nfs/dbraw/zinc/26/65/21/570266521.db2.gz ZFOADHRHLVBNON-UHFFFAOYSA-N 1 2 398.854 2.082 50 0 GEAALO CCn1c[nH+]cc1CNC(=O)c1ccc([C@H]2CCCN2C(=O)COC)s1 ZINC000020572954 570268568 /nfs/dbraw/zinc/26/85/68/570268568.db2.gz DHFJUJGQBYABEU-CQSZACIVSA-N 1 2 376.482 2.204 50 0 GEAALO O=C1Nc2ccccc2[C@@]12Nc1ccccc1C(=O)N2CCC[NH+]1CCOCC1 ZINC000101450737 570283563 /nfs/dbraw/zinc/28/35/63/570283563.db2.gz KXNVHSUFEUSDHI-QFIPXVFZSA-N 1 2 392.459 2.082 50 0 GEAALO O=C(CC1=CSC2=[NH+]CCCN12)N1CCC[C@@]2(CCC(=O)N(C3CC3)C2)C1 ZINC000102365829 570288666 /nfs/dbraw/zinc/28/86/66/570288666.db2.gz IVIWVSSRNDGUSO-HXUWFJFHSA-N 1 2 388.537 2.420 50 0 GEAALO Cc1ccc2oc(C(=O)N3CC[NH+](CCc4ccccn4)CC3)cc(=O)c2c1 ZINC000021659711 570293730 /nfs/dbraw/zinc/29/37/30/570293730.db2.gz TXTPRKDXEPRVNI-UHFFFAOYSA-N 1 2 377.444 2.497 50 0 GEAALO O=C(CCNC(=O)c1ccsc1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000021935163 570300051 /nfs/dbraw/zinc/30/00/51/570300051.db2.gz FXIPHHWPAHXHPS-UHFFFAOYSA-N 1 2 387.505 2.017 50 0 GEAALO O=C(CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1)Nc1ccc(F)c(F)c1 ZINC000022040169 570303322 /nfs/dbraw/zinc/30/33/22/570303322.db2.gz FPSLGWYIWPFWAH-UHFFFAOYSA-N 1 2 389.402 2.450 50 0 GEAALO Cc1c(O)ccc(C(=O)CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c1O ZINC000022468344 570317990 /nfs/dbraw/zinc/31/79/90/570317990.db2.gz JVLLLIIRUKOZOH-UHFFFAOYSA-N 1 2 384.432 2.135 50 0 GEAALO CCOc1ccc(S(=O)(=O)N2CC[NH+](CCc3ccncc3)CC2)cc1 ZINC000035310612 570323876 /nfs/dbraw/zinc/32/38/76/570323876.db2.gz ZOSUMQZPWJINNI-UHFFFAOYSA-N 1 2 375.494 2.029 50 0 GEAALO C[C@@H](C(=O)NC1CCCCC1)[NH+]1CCN(CC(=O)Nc2cccc(F)c2)CC1 ZINC000022932340 570337177 /nfs/dbraw/zinc/33/71/77/570337177.db2.gz RNNIRFPPOXAZTG-INIZCTEOSA-N 1 2 390.503 2.219 50 0 GEAALO O=C(CN1CCN(c2ccccc2)C1=O)N1CCC[C@H](Oc2cc[nH+]cc2)C1 ZINC000575613780 570339576 /nfs/dbraw/zinc/33/95/76/570339576.db2.gz UCXUCSLSDWFHGF-IBGZPJMESA-N 1 2 380.448 2.394 50 0 GEAALO Cc1nc(-n2cccn2)cc(N2CCN(C(=O)c3ccc(F)cc3F)CC2)[nH+]1 ZINC000023144305 570346479 /nfs/dbraw/zinc/34/64/79/570346479.db2.gz ZKZRASMWLGSYQK-UHFFFAOYSA-N 1 2 384.390 2.211 50 0 GEAALO O[C@H]1CC[N@H+](Cc2cn(CC3CCN(c4nc5ccccc5s4)CC3)nn2)C1 ZINC000023158757 570347215 /nfs/dbraw/zinc/34/72/15/570347215.db2.gz JRXCHTCNDVYETN-KRWDZBQOSA-N 1 2 398.536 2.371 50 0 GEAALO O[C@H]1CC[N@@H+](Cc2cn(CC3CCN(c4nc5ccccc5s4)CC3)nn2)C1 ZINC000023158757 570347218 /nfs/dbraw/zinc/34/72/18/570347218.db2.gz JRXCHTCNDVYETN-KRWDZBQOSA-N 1 2 398.536 2.371 50 0 GEAALO CCN1CC[NH+](C2(C(=O)N[C@H](C)Cc3cccnc3)Cc3ccccc3C2)CC1 ZINC000023373612 570357602 /nfs/dbraw/zinc/35/76/02/570357602.db2.gz WEAKAUVWJWZDHC-LJQANCHMSA-N 1 2 392.547 2.304 50 0 GEAALO O=C(C[NH+]1CCN(c2cccc(Cl)c2)CC1)NC(=O)NCc1ccccc1 ZINC000035436297 570358867 /nfs/dbraw/zinc/35/88/67/570358867.db2.gz NFPLPBWVKVVYOQ-UHFFFAOYSA-N 1 2 386.883 2.488 50 0 GEAALO CC(NCCCn1cc[nH+]c1)=C1C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000006292626 570363831 /nfs/dbraw/zinc/36/38/31/570363831.db2.gz DIVMJJXFAFOHJB-NTCAYCPXSA-N 1 2 387.827 2.073 50 0 GEAALO CC(=O)Nc1ccc(CC(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000023732113 570370494 /nfs/dbraw/zinc/37/04/94/570370494.db2.gz YXLNBYAWSZRADD-UHFFFAOYSA-N 1 2 395.459 2.261 50 0 GEAALO Cc1ccccc1Cn1c(C[N@H+]2CCC[C@@H](C)C2)nc2c1c(=O)n(C)c(=O)n2C ZINC000004930069 570371769 /nfs/dbraw/zinc/37/17/69/570371769.db2.gz UVMSWLRSSXPGBI-OAHLLOKOSA-N 1 2 395.507 2.022 50 0 GEAALO Cc1ccccc1Cn1c(C[N@@H+]2CCC[C@@H](C)C2)nc2c1c(=O)n(C)c(=O)n2C ZINC000004930069 570371771 /nfs/dbraw/zinc/37/17/71/570371771.db2.gz UVMSWLRSSXPGBI-OAHLLOKOSA-N 1 2 395.507 2.022 50 0 GEAALO COC(=O)c1c(C)[nH]c(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c1C ZINC000023762027 570371957 /nfs/dbraw/zinc/37/19/57/570371957.db2.gz TZJFYJFKIYZWBU-UHFFFAOYSA-N 1 2 399.447 2.105 50 0 GEAALO CCOC(=O)C1=C(C[N@H+](C)Cc2c(C)nn(-c3ccccc3)c2C)NC(=O)NC1 ZINC000023761860 570371966 /nfs/dbraw/zinc/37/19/66/570371966.db2.gz AYGRQVGJYATRJG-UHFFFAOYSA-N 1 2 397.479 2.051 50 0 GEAALO CCOC(=O)C1=C(C[N@@H+](C)Cc2c(C)nn(-c3ccccc3)c2C)NC(=O)NC1 ZINC000023761860 570371968 /nfs/dbraw/zinc/37/19/68/570371968.db2.gz AYGRQVGJYATRJG-UHFFFAOYSA-N 1 2 397.479 2.051 50 0 GEAALO C[C@@H](NC(=O)COc1ccccc1)C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000023774281 570372490 /nfs/dbraw/zinc/37/24/90/570372490.db2.gz YWOMOPIGDCEIDE-UZLBHIALSA-N 1 2 392.459 2.209 50 0 GEAALO O=C(CN1CC[NH+](CC(=O)N2CCCCCC2)CC1)Nc1ccc2c(c1)CCC2 ZINC000022786102 570377302 /nfs/dbraw/zinc/37/73/02/570377302.db2.gz WBXHEDWNZUHVSR-UHFFFAOYSA-N 1 2 398.551 2.134 50 0 GEAALO Cc1cc(-c2nn(C)c(Cl)c2C[N@@H+]2CCCn3nc(CO)cc3C2)no1 ZINC000220076097 570381594 /nfs/dbraw/zinc/38/15/94/570381594.db2.gz PTWFGMMWHISWEC-UHFFFAOYSA-N 1 2 376.848 2.132 50 0 GEAALO Cc1cc(-c2nn(C)c(Cl)c2C[N@H+]2CCCn3nc(CO)cc3C2)no1 ZINC000220076097 570381597 /nfs/dbraw/zinc/38/15/97/570381597.db2.gz PTWFGMMWHISWEC-UHFFFAOYSA-N 1 2 376.848 2.132 50 0 GEAALO CCOc1cccc(N2C(=O)C[C@@H]([NH+]3CCN(c4ccc(O)cc4)CC3)C2=O)c1 ZINC000004562454 570384744 /nfs/dbraw/zinc/38/47/44/570384744.db2.gz QFRGJQMQTFWRDK-HXUWFJFHSA-N 1 2 395.459 2.245 50 0 GEAALO COc1ccc(F)c(F)c1C[N@@H+]1CCn2nc([C@H](O)c3ccnn3C)cc2C1 ZINC000221188144 570392044 /nfs/dbraw/zinc/39/20/44/570392044.db2.gz SKHYHXZKJFSPSS-IBGZPJMESA-N 1 2 389.406 2.001 50 0 GEAALO COc1ccc(F)c(F)c1C[N@H+]1CCn2nc([C@H](O)c3ccnn3C)cc2C1 ZINC000221188144 570392046 /nfs/dbraw/zinc/39/20/46/570392046.db2.gz SKHYHXZKJFSPSS-IBGZPJMESA-N 1 2 389.406 2.001 50 0 GEAALO Cc1ccc(C)c(S(=O)(=O)NCCC(=O)Nc2ccc(-n3cc[nH+]c3)nc2)c1 ZINC000024899052 570397772 /nfs/dbraw/zinc/39/77/72/570397772.db2.gz NSGHJAOYRBZTKF-UHFFFAOYSA-N 1 2 399.476 2.191 50 0 GEAALO CCOc1ccc(S(=O)(=O)NCc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000026358025 570424797 /nfs/dbraw/zinc/42/47/97/570424797.db2.gz NTKQLIQKONZPJD-UHFFFAOYSA-N 1 2 390.505 2.396 50 0 GEAALO CC(C)(C)OC(=O)N1CC[NH+](Cc2cc(=O)n3cc(Cl)ccc3n2)CC1 ZINC000026912154 570429887 /nfs/dbraw/zinc/42/98/87/570429887.db2.gz NUTUCPWPOZETLL-UHFFFAOYSA-N 1 2 378.860 2.401 50 0 GEAALO CS(=O)(=O)c1ccc(CC(=O)N2CCCC[C@@H]2CCn2cc[nH+]c2)cc1 ZINC000222904763 570430695 /nfs/dbraw/zinc/43/06/95/570430695.db2.gz KGJVNOSYOONBGT-QGZVFWFLSA-N 1 2 375.494 2.301 50 0 GEAALO Cc1ccc(NC(=O)[C@H]2CC(=O)NC(N3CCN(c4ccccc4)CC3)=[NH+]2)cc1 ZINC000005274245 570432961 /nfs/dbraw/zinc/43/29/61/570432961.db2.gz TWYYCEPQCDZFJO-LJQANCHMSA-N 1 2 391.475 2.000 50 0 GEAALO COCC(=O)N1CCc2[nH]c[nH+]c2C12CCN(C(=O)[C@H]1CC[C@H](C)CC1)CC2 ZINC000244735015 570433501 /nfs/dbraw/zinc/43/35/01/570433501.db2.gz NRMSJBPVOCQCIV-WKILWMFISA-N 1 2 388.512 2.085 50 0 GEAALO CC(C)c1noc([C@H](C)N2CC[NH+](Cc3cc(=O)n4ccccc4n3)CC2)n1 ZINC000029523391 570475843 /nfs/dbraw/zinc/47/58/43/570475843.db2.gz SRROJAJJUGMOSF-HNNXBMFYSA-N 1 2 382.468 2.080 50 0 GEAALO COc1ccc(OC)c(C[NH+]2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)c1 ZINC000030109145 570486061 /nfs/dbraw/zinc/48/60/61/570486061.db2.gz MXPSQUXGVTWZST-UHFFFAOYSA-N 1 2 384.432 2.391 50 0 GEAALO CCOC(=O)C1C(=O)C(=O)N(CCCn2cc[nH+]c2)[C@H]1c1ccc(OC)cc1 ZINC000006693692 570537998 /nfs/dbraw/zinc/53/79/98/570537998.db2.gz QWOZSMMXCMQCTJ-KRWDZBQOSA-N 1 2 385.420 2.241 50 0 GEAALO O=C(CSc1ncn(-c2ccccc2)n1)N1CCN(c2cccc[nH+]2)CC1 ZINC000009183907 570550887 /nfs/dbraw/zinc/55/08/87/570550887.db2.gz QJLULFUUCSMGFH-UHFFFAOYSA-N 1 2 380.477 2.103 50 0 GEAALO CC[N@@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C[C@@H](O)COC(C)C ZINC000036160871 570555978 /nfs/dbraw/zinc/55/59/78/570555978.db2.gz UQVWOPMQDQKMOL-CYBMUJFWSA-N 1 2 379.526 2.471 50 0 GEAALO CC[N@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C[C@@H](O)COC(C)C ZINC000036160871 570555979 /nfs/dbraw/zinc/55/59/79/570555979.db2.gz UQVWOPMQDQKMOL-CYBMUJFWSA-N 1 2 379.526 2.471 50 0 GEAALO COc1ccc(F)cc1C[NH+]1CCN(CC(=O)NCc2cccs2)CC1 ZINC000032543641 570556009 /nfs/dbraw/zinc/55/60/09/570556009.db2.gz YRDMFTIUXCNMGW-UHFFFAOYSA-N 1 2 377.485 2.330 50 0 GEAALO O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)c1c(F)ccc(O)c1F ZINC000225503383 570581158 /nfs/dbraw/zinc/58/11/58/570581158.db2.gz CUVOFCUXDPYUNM-UHFFFAOYSA-N 1 2 379.382 2.362 50 0 GEAALO CC(C)CC(=O)N1CC[NH+]([C@@H](C(=O)NCc2ccccn2)C2CCCC2)CC1 ZINC000036253386 570587681 /nfs/dbraw/zinc/58/76/81/570587681.db2.gz CGDDWYNQJVQTRS-OAQYLSRUSA-N 1 2 386.540 2.447 50 0 GEAALO COc1ccc(NC(=O)[C@H](C2CCCC2)[NH+]2CCN(C(C)=O)CC2)cc1OC ZINC000036311832 570610061 /nfs/dbraw/zinc/61/00/61/570610061.db2.gz VHEKDHJYVAGKDC-FQEVSTJZSA-N 1 2 389.496 2.365 50 0 GEAALO O=C(Nc1ccc(Oc2cc[nH+]cc2)cc1)C(=O)N[C@H]1CCc2n[nH]cc2C1 ZINC000167435522 570625327 /nfs/dbraw/zinc/62/53/27/570625327.db2.gz OPYOSHPBCRBNIO-HNNXBMFYSA-N 1 2 377.404 2.209 50 0 GEAALO CC(=O)N1CCN(c2[nH+]cccc2CNC(=O)c2cc3cc(F)ccc3[nH]2)CC1 ZINC000012479933 570674156 /nfs/dbraw/zinc/67/41/56/570674156.db2.gz XUBHGOUFRGUHMZ-UHFFFAOYSA-N 1 2 395.438 2.301 50 0 GEAALO COCCN1CC[C@@H]([N@@H+]2CCCN(C(=O)c3ccc(C(C)C)cc3)CC2)C1=O ZINC000169792406 570697461 /nfs/dbraw/zinc/69/74/61/570697461.db2.gz QBRZQHKQZPSFFR-HXUWFJFHSA-N 1 2 387.524 2.205 50 0 GEAALO COCCN1CC[C@@H]([N@H+]2CCCN(C(=O)c3ccc(C(C)C)cc3)CC2)C1=O ZINC000169792406 570697466 /nfs/dbraw/zinc/69/74/66/570697466.db2.gz QBRZQHKQZPSFFR-HXUWFJFHSA-N 1 2 387.524 2.205 50 0 GEAALO CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000032802955 570821509 /nfs/dbraw/zinc/82/15/09/570821509.db2.gz FGMUQRQOSNKZSX-UHFFFAOYSA-N 1 2 398.492 2.321 50 0 GEAALO Cc1cc(-c2ccc(S(=O)(=O)N3CCN(c4cccc[nH+]4)CC3)s2)n[nH]1 ZINC000037008942 570832842 /nfs/dbraw/zinc/83/28/42/570832842.db2.gz RBPDCKKNXPFNEG-UHFFFAOYSA-N 1 2 389.506 2.353 50 0 GEAALO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc2c(c1)NC(=O)CO2)c1ccc(F)cc1 ZINC000032830719 570844734 /nfs/dbraw/zinc/84/47/34/570844734.db2.gz ZVBRKKRILOEZRX-SFHVURJKSA-N 1 2 380.379 2.410 50 0 GEAALO C[C@@H](NC(=O)Cn1nnc(-c2cccs2)n1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000012547382 570850197 /nfs/dbraw/zinc/85/01/97/570850197.db2.gz HOJVVDUXJNLCSY-CYBMUJFWSA-N 1 2 379.449 2.465 50 0 GEAALO CC(=O)N1CCc2cc(C(=O)N[C@@H](C[NH+]3CCOCC3)c3ccccc3)ccc21 ZINC000032842963 570851139 /nfs/dbraw/zinc/85/11/39/570851139.db2.gz PPPFXSIJGAWWBE-NRFANRHFSA-N 1 2 393.487 2.399 50 0 GEAALO Cc1[nH+]c2ccccc2n1CCSc1nnc([C@H]2CCS(=O)(=O)C2)n1C ZINC000089729996 570910593 /nfs/dbraw/zinc/91/05/93/570910593.db2.gz BXPDEAOBFDCRMO-ZDUSSCGKSA-N 1 2 391.522 2.168 50 0 GEAALO O=C(C[N@H+]1CCCC[C@@H]1[C@H](O)C(F)(F)F)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000089845592 570917199 /nfs/dbraw/zinc/91/71/99/570917199.db2.gz MTDGLCYDHARZGY-WDYCEAGBSA-N 1 2 399.457 2.407 50 0 GEAALO O=C(C[N@@H+]1CCCC[C@@H]1[C@H](O)C(F)(F)F)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000089845592 570917202 /nfs/dbraw/zinc/91/72/02/570917202.db2.gz MTDGLCYDHARZGY-WDYCEAGBSA-N 1 2 399.457 2.407 50 0 GEAALO O=C(NCc1ccc(-n2cc[nH+]c2)nc1)[C@H]1CCCN1c1ncnc2ccccc21 ZINC000089872917 570917698 /nfs/dbraw/zinc/91/76/98/570917698.db2.gz DWHAZKZSTITAOA-LJQANCHMSA-N 1 2 399.458 2.496 50 0 GEAALO O=C(N[C@H]1CCCN(C(=O)c2ccccc2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000534670127 570920297 /nfs/dbraw/zinc/92/02/97/570920297.db2.gz SFSIEUOBRLFVLD-IBGZPJMESA-N 1 2 393.491 2.218 50 0 GEAALO CCN(CC)C(=O)C[NH+]1CCN(C(=O)Nc2cccc(-c3ncco3)c2)CC1 ZINC000089967644 570922012 /nfs/dbraw/zinc/92/20/12/570922012.db2.gz HPPOCPCOLUNWQV-UHFFFAOYSA-N 1 2 385.468 2.360 50 0 GEAALO Cc1[nH]nc(C(F)(F)F)c1-c1ccc(C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000534663503 570922710 /nfs/dbraw/zinc/92/27/10/570922710.db2.gz YXBWWIFTJNWOIY-UHFFFAOYSA-N 1 2 382.386 2.466 50 0 GEAALO O=C(c1ccco1)N1CCC[N@@H+]([C@H]2CCN(Cc3ccc(F)cc3)C2=O)CC1 ZINC000065293280 570959395 /nfs/dbraw/zinc/95/93/95/570959395.db2.gz FDOVOAAGRODEQA-SFHVURJKSA-N 1 2 385.439 2.368 50 0 GEAALO O=C(c1ccco1)N1CCC[N@H+]([C@H]2CCN(Cc3ccc(F)cc3)C2=O)CC1 ZINC000065293280 570959396 /nfs/dbraw/zinc/95/93/96/570959396.db2.gz FDOVOAAGRODEQA-SFHVURJKSA-N 1 2 385.439 2.368 50 0 GEAALO O=C(NC[C@H]1CCN(c2ccccc2)C1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000159239600 570962294 /nfs/dbraw/zinc/96/22/94/570962294.db2.gz FJKIBPQLXPCODU-LJQANCHMSA-N 1 2 379.508 2.435 50 0 GEAALO O=C(c1cscn1)N1CCC2(CC1)c1ccccc1[C@@H](n1cc[nH+]c1)[C@@H]2O ZINC000019222919 570963423 /nfs/dbraw/zinc/96/34/23/570963423.db2.gz XSZQHKWXXQUDLO-MSOLQXFVSA-N 1 2 380.473 2.478 50 0 GEAALO COc1ccc(C(=O)N2CC[NH+](C[C@H](O)COc3cccc(C)c3)CC2)cc1 ZINC000019229495 570964974 /nfs/dbraw/zinc/96/49/74/570964974.db2.gz PPQNTEUKCTXITF-IBGZPJMESA-N 1 2 384.476 2.201 50 0 GEAALO O=C(CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1)c1ccc2c(c1)OCO2 ZINC000019369094 570980217 /nfs/dbraw/zinc/98/02/17/570980217.db2.gz UMYANYSBEIHFIA-UHFFFAOYSA-N 1 2 382.416 2.145 50 0 GEAALO Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)NCCCn1cc[nH+]c1 ZINC000023238692 570991163 /nfs/dbraw/zinc/99/11/63/570991163.db2.gz MPWNGVAPHAYNGQ-UHFFFAOYSA-N 1 2 395.389 2.096 50 0 GEAALO O=C(c1ccccc1)N1CCC[C@@H](C(=O)N2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000108769321 570991502 /nfs/dbraw/zinc/99/15/02/570991502.db2.gz FWHHPDYVFJCADV-HXUWFJFHSA-N 1 2 392.503 2.278 50 0 GEAALO CCOc1cccc(N2C(=O)C[C@@H]([NH+]3CCN(c4ccccc4O)CC3)C2=O)c1 ZINC000019520000 570993326 /nfs/dbraw/zinc/99/33/26/570993326.db2.gz AEGKIMARINABHS-LJQANCHMSA-N 1 2 395.459 2.245 50 0 GEAALO O=C(C[NH+]1CCN(Cc2nc(-c3ccsc3)no2)CC1)N1CCCCCC1 ZINC000023247985 570993512 /nfs/dbraw/zinc/99/35/12/570993512.db2.gz HHBADGZXOBNLDC-UHFFFAOYSA-N 1 2 389.525 2.318 50 0 GEAALO Cc1cccc(C)c1NC(=O)CN1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1 ZINC000023249343 570996762 /nfs/dbraw/zinc/99/67/62/570996762.db2.gz HXUPMDKVCQBREE-LJQANCHMSA-N 1 2 386.540 2.261 50 0 GEAALO O=C1C[N@H+](CCCN2CC(c3ccccc3)(c3ccccc3)CCC2=O)CCN1 ZINC000091417055 571007073 /nfs/dbraw/zinc/00/70/73/571007073.db2.gz MNFOCFRQOHHGDT-UHFFFAOYSA-N 1 2 391.515 2.417 50 0 GEAALO O=C1C[N@@H+](CCCN2CC(c3ccccc3)(c3ccccc3)CCC2=O)CCN1 ZINC000091417055 571007078 /nfs/dbraw/zinc/00/70/78/571007078.db2.gz MNFOCFRQOHHGDT-UHFFFAOYSA-N 1 2 391.515 2.417 50 0 GEAALO Cc1ocnc1C(=O)N1CCC2(CCC(=O)N(CCCn3cc[nH+]c3)C2)CC1 ZINC000091444636 571008751 /nfs/dbraw/zinc/00/87/51/571008751.db2.gz JDKAZVOTGHRJRG-UHFFFAOYSA-N 1 2 385.468 2.115 50 0 GEAALO COCc1cccc(C(=O)N2CC[N@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)c1 ZINC000084240600 571010013 /nfs/dbraw/zinc/01/00/13/571010013.db2.gz HQOWYGAOYBGQFL-QGZVFWFLSA-N 1 2 377.485 2.114 50 0 GEAALO COCc1cccc(C(=O)N2CC[N@@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)c1 ZINC000084240600 571010016 /nfs/dbraw/zinc/01/00/16/571010016.db2.gz HQOWYGAOYBGQFL-QGZVFWFLSA-N 1 2 377.485 2.114 50 0 GEAALO COc1ccc(C(=O)N2CCC[C@]3(CCC(=O)N(CCc4c[nH+]c[nH]4)C3)C2)o1 ZINC000091505627 571011427 /nfs/dbraw/zinc/01/14/27/571011427.db2.gz DNHGXRLWTVONJT-HXUWFJFHSA-N 1 2 386.452 2.099 50 0 GEAALO COc1ccc(C(=O)N2CCC[C@]3(CCC(=O)N(CCc4c[nH]c[nH+]4)C3)C2)o1 ZINC000091505627 571011431 /nfs/dbraw/zinc/01/14/31/571011431.db2.gz DNHGXRLWTVONJT-HXUWFJFHSA-N 1 2 386.452 2.099 50 0 GEAALO C[C@@H](C(=O)N1CCC2(CCC(=O)N(Cc3ccncc3)C2)CC1)n1cc[nH+]c1 ZINC000091998105 571040464 /nfs/dbraw/zinc/04/04/64/571040464.db2.gz LZJQZQDJHIGFSG-KRWDZBQOSA-N 1 2 381.480 2.271 50 0 GEAALO Cc1[nH]c2c(cccc2F)c1CC(=O)N1CCCO[C@@H](C[NH+]2CCOCC2)C1 ZINC000092004298 571041045 /nfs/dbraw/zinc/04/10/45/571041045.db2.gz BPWCLNTVYYUWTE-INIZCTEOSA-N 1 2 389.471 2.108 50 0 GEAALO COc1coc(C(=O)N2CCC[C@H](c3[nH+]ccn3Cc3ccccn3)C2)cc1=O ZINC000092045540 571042589 /nfs/dbraw/zinc/04/25/89/571042589.db2.gz OTNBGYMAXRMRFH-HNNXBMFYSA-N 1 2 394.431 2.308 50 0 GEAALO O=C(CCc1cccnc1)N1CCC2(CCC(=O)N(CCc3c[nH+]c[nH]3)C2)CC1 ZINC000092076910 571043996 /nfs/dbraw/zinc/04/39/96/571043996.db2.gz SWFRHXWYTUBSRI-UHFFFAOYSA-N 1 2 395.507 2.211 50 0 GEAALO O=C(CCc1cccnc1)N1CCC2(CCC(=O)N(CCc3c[nH]c[nH+]3)C2)CC1 ZINC000092076910 571043998 /nfs/dbraw/zinc/04/39/98/571043998.db2.gz SWFRHXWYTUBSRI-UHFFFAOYSA-N 1 2 395.507 2.211 50 0 GEAALO Cc1cc(F)cc([C@@H](C(=O)[O-])[NH+]2CCC(C(N)=O)([NH+]3CCCCC3)CC2)c1 ZINC000095352475 571050019 /nfs/dbraw/zinc/05/00/19/571050019.db2.gz MVDNNGYELOWINV-KRWDZBQOSA-N 1 2 377.460 2.066 50 0 GEAALO O=C(CN1CCCCCC1=O)N1CCC[C@H](c2[nH+]ccn2Cc2cccnc2)C1 ZINC000095374157 571063230 /nfs/dbraw/zinc/06/32/30/571063230.db2.gz SSCLFIJWVVTGCT-IBGZPJMESA-N 1 2 395.507 2.435 50 0 GEAALO Cn1ccnc1[C@H](O)C1CCN(C(=O)Cn2cc[nH+]c2-c2ccccc2)CC1 ZINC000095376800 571064660 /nfs/dbraw/zinc/06/46/60/571064660.db2.gz PSNALPISNKLHJD-LJQANCHMSA-N 1 2 379.464 2.256 50 0 GEAALO Cc1ccccc1CC(=O)N1CCC[C@H](c2nnc(Cn3cc[nH+]c3)n2C)C1 ZINC000095382344 571068181 /nfs/dbraw/zinc/06/81/81/571068181.db2.gz KUVRDSCOALTAGE-SFHVURJKSA-N 1 2 378.480 2.317 50 0 GEAALO Cn1cc[nH+]c1CN1CCN(C(=O)c2cccc(-c3cccc(=O)[nH]3)c2)CC1 ZINC000426479157 231225582 /nfs/dbraw/zinc/22/55/82/231225582.db2.gz WVUUXGVZJAFTOO-UHFFFAOYSA-N 1 2 377.448 2.146 50 0 GEAALO O=C(N[C@@H]1CCCC[C@H]1c1ccccc1)N1CC[NH+](CCOCCO)CC1 ZINC000426580634 231241950 /nfs/dbraw/zinc/24/19/50/231241950.db2.gz DOITYVLJIMIXLP-VQTJNVASSA-N 1 2 375.513 2.049 50 0 GEAALO O=C1C[C@H]([NH2+]Cc2ccco2)C(=O)N1c1ccc(I)cc1 ZINC000004482362 531516855 /nfs/dbraw/zinc/51/68/55/531516855.db2.gz PZVITBXDINSDHY-ZDUSSCGKSA-N 1 2 396.184 2.306 50 0 GEAALO CCCOc1cc(S(=O)(=O)NCCC[NH+]2CCOCC2)ccc1Cl ZINC000019619466 531576132 /nfs/dbraw/zinc/57/61/32/531576132.db2.gz XJPRVFACQSJOQL-UHFFFAOYSA-N 1 2 376.906 2.129 50 0 GEAALO CCNS(=O)(=O)[C@H]1CC[N@H+](Cc2nc3ccc(Br)cc3o2)C1 ZINC000241630906 532519050 /nfs/dbraw/zinc/51/90/50/532519050.db2.gz PMIGKMKYBWVZOH-NSHDSACASA-N 1 2 388.287 2.104 50 0 GEAALO CCNS(=O)(=O)[C@H]1CC[N@@H+](Cc2nc3ccc(Br)cc3o2)C1 ZINC000241630906 532519058 /nfs/dbraw/zinc/51/90/58/532519058.db2.gz PMIGKMKYBWVZOH-NSHDSACASA-N 1 2 388.287 2.104 50 0 GEAALO CCC[NH+]1CCN(S(=O)(=O)c2ccc(OC)c(Br)c2)CC1 ZINC000034802334 212162562 /nfs/dbraw/zinc/16/25/62/212162562.db2.gz OJOUTYBVSNVIBB-UHFFFAOYSA-N 1 2 377.304 2.174 50 0 GEAALO O=C(NC[C@@H](c1ccoc1)[NH+]1CCSCC1)C(=O)Nc1ccc(F)c(F)c1 ZINC000244970220 212132820 /nfs/dbraw/zinc/13/28/20/212132820.db2.gz HOMIOOZICLNVPK-INIZCTEOSA-N 1 2 395.431 2.403 50 0 GEAALO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CC(=O)NC(=O)NCC(F)(F)F)c1 ZINC000007718870 221008265 /nfs/dbraw/zinc/00/82/65/221008265.db2.gz PMRNKGZUOYNIGW-ZDUSSCGKSA-N 1 2 389.374 2.229 50 0 GEAALO COc1ccc(OC)c([C@@H]2CCC[N@H+]2CC(=O)NC(=O)NCC(F)(F)F)c1 ZINC000007718870 221008269 /nfs/dbraw/zinc/00/82/69/221008269.db2.gz PMRNKGZUOYNIGW-ZDUSSCGKSA-N 1 2 389.374 2.229 50 0 GEAALO Cn1cc[nH+]c1[C@H](NC(=O)c1nn(C)c(=O)c2ccccc12)c1ccc(F)cc1 ZINC000008216008 221031297 /nfs/dbraw/zinc/03/12/97/221031297.db2.gz BJVCCBKPHRTQQF-QGZVFWFLSA-N 1 2 391.406 2.326 50 0 GEAALO CCn1c(=O)c2c(nc3n2[C@H](C)C(C)=[NH+]N3Cc2ccccc2F)n(C)c1=O ZINC000008706192 221051083 /nfs/dbraw/zinc/05/10/83/221051083.db2.gz MLICMIYEHYRMNA-GFCCVEGCSA-N 1 2 384.415 2.013 50 0 GEAALO CCCn1c(=O)c2c(nc3n2[C@@H](C)C(C)=[NH+]N3Cc2ccc(F)cc2)n(C)c1=O ZINC000008724925 221052653 /nfs/dbraw/zinc/05/26/53/221052653.db2.gz CCFDTPFJIZBUJI-ZDUSSCGKSA-N 1 2 398.442 2.403 50 0 GEAALO O=c1[nH]c2ccccc2n1C1CC[NH+](Cc2cc(=O)n3ccsc3n2)CC1 ZINC000009477516 221083051 /nfs/dbraw/zinc/08/30/51/221083051.db2.gz XDOMABFIDXPNHY-UHFFFAOYSA-N 1 2 381.461 2.236 50 0 GEAALO O=C(Cn1nnnc1C[NH+]1CCCCCC1)N1CC[C@H](c2ccc(F)cc2)C1 ZINC000011841066 221130654 /nfs/dbraw/zinc/13/06/54/221130654.db2.gz OHSHMDISSDPJOA-KRWDZBQOSA-N 1 2 386.475 2.204 50 0 GEAALO CSCC(=O)N1CCC[C@@H](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000011874810 221135037 /nfs/dbraw/zinc/13/50/37/221135037.db2.gz BBLVMQKOUNTXOS-KRWDZBQOSA-N 1 2 390.553 2.112 50 0 GEAALO Cn1ncc2c1nc[nH+]c2SCc1nc(N)nc(Nc2ccc(F)cc2)n1 ZINC000011685623 221119545 /nfs/dbraw/zinc/11/95/45/221119545.db2.gz GOIBZKYDHRAGSF-UHFFFAOYSA-N 1 2 383.416 2.306 50 0 GEAALO C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1[nH+]cnc2c1cnn2C ZINC000011683700 221120330 /nfs/dbraw/zinc/12/03/30/221120330.db2.gz GVBDMPYLZZILND-LLVKDONJSA-N 1 2 382.449 2.219 50 0 GEAALO O=C(CN1CCCCC1=O)NCc1ccc[nH+]c1N1CCc2ccccc2C1 ZINC000012431326 221191906 /nfs/dbraw/zinc/19/19/06/221191906.db2.gz MPKTXVZHZOCCAO-UHFFFAOYSA-N 1 2 378.476 2.273 50 0 GEAALO CC(C)C[N@@H+]1CCNC(=O)[C@@H]1CC(=O)N(C)Cc1nc2ccc(Cl)cc2[nH]1 ZINC000012434149 221193646 /nfs/dbraw/zinc/19/36/46/221193646.db2.gz IBPWTLOJWNMVKE-INIZCTEOSA-N 1 2 391.903 2.021 50 0 GEAALO CC(C)C[N@H+]1CCNC(=O)[C@@H]1CC(=O)N(C)Cc1nc2ccc(Cl)cc2[nH]1 ZINC000012434149 221193649 /nfs/dbraw/zinc/19/36/49/221193649.db2.gz IBPWTLOJWNMVKE-INIZCTEOSA-N 1 2 391.903 2.021 50 0 GEAALO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc(S(C)(=O)=O)cc1)c1cccc(F)c1 ZINC000012559039 221207661 /nfs/dbraw/zinc/20/76/61/221207661.db2.gz GLGUIBPJYMWWSU-KRWDZBQOSA-N 1 2 387.436 2.482 50 0 GEAALO O=C(C[NH+]1CCN(C(=O)CCCc2c[nH]c3ccccc23)CC1)N1CCCC1 ZINC000012594349 221213151 /nfs/dbraw/zinc/21/31/51/221213151.db2.gz XOUXZOFJPLYQAJ-UHFFFAOYSA-N 1 2 382.508 2.257 50 0 GEAALO CC1CCC2(CC1)NC(=O)N(C[NH+]1CCC(NC(=O)c3ccccc3)CC1)C2=O ZINC000012885946 221241326 /nfs/dbraw/zinc/24/13/26/221241326.db2.gz KJWATAMRADBOJL-UHFFFAOYSA-N 1 2 398.507 2.339 50 0 GEAALO C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)CC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000012942006 221248999 /nfs/dbraw/zinc/24/89/99/221248999.db2.gz BESANAMYCRFDDF-LBPRGKRZSA-N 1 2 394.422 2.244 50 0 GEAALO C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)CC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000012942006 221249000 /nfs/dbraw/zinc/24/90/00/221249000.db2.gz BESANAMYCRFDDF-LBPRGKRZSA-N 1 2 394.422 2.244 50 0 GEAALO COc1ccc(NC(=O)NCC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000012945526 221249415 /nfs/dbraw/zinc/24/94/15/221249415.db2.gz RLABNVLTIRNDCE-UHFFFAOYSA-N 1 2 398.463 2.288 50 0 GEAALO COc1ccc(OC)c(S(=O)(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)c1 ZINC000013114880 221262123 /nfs/dbraw/zinc/26/21/23/221262123.db2.gz MGDDIYMFSYJRIU-QGZVFWFLSA-N 1 2 376.478 2.381 50 0 GEAALO COc1ccc(OC)c(S(=O)(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)c1 ZINC000013114880 221262125 /nfs/dbraw/zinc/26/21/25/221262125.db2.gz MGDDIYMFSYJRIU-QGZVFWFLSA-N 1 2 376.478 2.381 50 0 GEAALO C[NH+]1CCN(S(=O)(=O)c2ccc(NCc3ccc(Cl)cc3)nc2)CC1 ZINC000014199187 221303855 /nfs/dbraw/zinc/30/38/55/221303855.db2.gz FVPMBKMJTQSFCO-UHFFFAOYSA-N 1 2 380.901 2.283 50 0 GEAALO O=C(c1cccnc1N1CCCC1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000014201402 221304723 /nfs/dbraw/zinc/30/47/23/221304723.db2.gz PZFFODKATRDPPZ-UHFFFAOYSA-N 1 2 394.475 2.369 50 0 GEAALO CCOC(=O)c1cnn(-c2cccc(C)c2C)c1C[NH+]1CCC(C(N)=O)CC1 ZINC000014883171 221319414 /nfs/dbraw/zinc/31/94/14/221319414.db2.gz ZYZFRYMIMDDUGT-UHFFFAOYSA-N 1 2 384.480 2.363 50 0 GEAALO COc1ccccc1CCNC(=O)C[C@@H]1C(=O)NCC[N@H+]1Cc1ccccc1C ZINC000015066384 221328767 /nfs/dbraw/zinc/32/87/67/221328767.db2.gz JEPTYZUCSVFMOT-HXUWFJFHSA-N 1 2 395.503 2.053 50 0 GEAALO COc1ccccc1CCNC(=O)C[C@@H]1C(=O)NCC[N@@H+]1Cc1ccccc1C ZINC000015066384 221328769 /nfs/dbraw/zinc/32/87/69/221328769.db2.gz JEPTYZUCSVFMOT-HXUWFJFHSA-N 1 2 395.503 2.053 50 0 GEAALO C[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccccc3)c(F)c2)CC1 ZINC000016576630 221364631 /nfs/dbraw/zinc/36/46/31/221364631.db2.gz SEYCQASYNAPLHB-UHFFFAOYSA-N 1 2 377.441 2.014 50 0 GEAALO Cc1c(C[N@@H+](C)CC(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)cnn1C ZINC000017079533 221377722 /nfs/dbraw/zinc/37/77/22/221377722.db2.gz GNANIPXQWULNMO-LLVKDONJSA-N 1 2 389.525 2.084 50 0 GEAALO Cc1c(C[N@H+](C)CC(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)cnn1C ZINC000017079533 221377724 /nfs/dbraw/zinc/37/77/24/221377724.db2.gz GNANIPXQWULNMO-LLVKDONJSA-N 1 2 389.525 2.084 50 0 GEAALO Cc1ccc(Nc2nc(N)nc(CSC(=S)N3CC[NH+](C)CC3)n2)cc1 ZINC000019832061 221458427 /nfs/dbraw/zinc/45/84/27/221458427.db2.gz SUMHYRUZRUHIKJ-UHFFFAOYSA-N 1 2 389.554 2.271 50 0 GEAALO O=C(CCNC(=O)c1ccc2c(c1)CCC2)N1CCN(c2cccc[nH+]2)CC1 ZINC000058265612 136155080 /nfs/dbraw/zinc/15/50/80/136155080.db2.gz LSBOORVZFGGWLE-UHFFFAOYSA-N 1 2 378.476 2.039 50 0 GEAALO COc1ccc(C)cc1NC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000058343195 136155236 /nfs/dbraw/zinc/15/52/36/136155236.db2.gz VXCMWWBGZVMNEQ-UHFFFAOYSA-N 1 2 397.479 2.259 50 0 GEAALO NC(=O)c1ccc(NC(=O)C2CCN(c3cc(N4CCCC4)[nH+]cn3)CC2)cc1 ZINC000065237001 136160946 /nfs/dbraw/zinc/16/09/46/136160946.db2.gz AETGAJSNSAPIQA-UHFFFAOYSA-N 1 2 394.479 2.031 50 0 GEAALO NC(=O)c1ccc(NC(=O)C2CCN(c3cc(N4CCCC4)nc[nH+]3)CC2)cc1 ZINC000065237001 136160947 /nfs/dbraw/zinc/16/09/47/136160947.db2.gz AETGAJSNSAPIQA-UHFFFAOYSA-N 1 2 394.479 2.031 50 0 GEAALO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(c2cc(=O)[nH]nc2-c2ccccc2)CC1 ZINC000065380314 136163646 /nfs/dbraw/zinc/16/36/46/136163646.db2.gz XBDXAIUDAFUYJX-INIZCTEOSA-N 1 2 395.507 2.006 50 0 GEAALO Cc1[nH]c2ccc(CNC(=O)C[NH+]3CCN(c4ncccn4)CC3)cc2c1C ZINC000071757169 136166104 /nfs/dbraw/zinc/16/61/04/136166104.db2.gz OUJGZSUSUNAIMW-UHFFFAOYSA-N 1 2 378.480 2.013 50 0 GEAALO Cc1ccc(N2CCN(C(=O)[C@H]3CCCN(c4cccc[nH+]4)C3)CC2=O)cc1 ZINC000082137368 136174028 /nfs/dbraw/zinc/17/40/28/136174028.db2.gz CEWJEQSEFXEDOA-SFHVURJKSA-N 1 2 378.476 2.482 50 0 GEAALO CCn1cc(S(=O)(=O)Nc2cc(Cl)ccc2N2CC[NH+](C)CC2)cn1 ZINC000083843594 136174790 /nfs/dbraw/zinc/17/47/90/136174790.db2.gz FQIWQOIIEXPFRM-UHFFFAOYSA-N 1 2 383.905 2.109 50 0 GEAALO CSc1nccc(N2CCC3(CCC(=O)N(CCc4c[nH+]c[nH]4)C3)CC2)n1 ZINC000091468818 136176378 /nfs/dbraw/zinc/17/63/78/136176378.db2.gz UGDDIIBMHRMQAE-UHFFFAOYSA-N 1 2 386.525 2.373 50 0 GEAALO CSc1nccc(N2CCC3(CCC(=O)N(CCc4c[nH]c[nH+]4)C3)CC2)n1 ZINC000091468818 136176379 /nfs/dbraw/zinc/17/63/79/136176379.db2.gz UGDDIIBMHRMQAE-UHFFFAOYSA-N 1 2 386.525 2.373 50 0 GEAALO O=C([C@@H]1CC(=O)N(Cc2ccccc2Cl)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000007737003 136195416 /nfs/dbraw/zinc/19/54/16/136195416.db2.gz BEYNKESFUYOTMM-QGZVFWFLSA-N 1 2 398.894 2.432 50 0 GEAALO O=C(CN1CC[NH+](CC(=O)N2CCCC2)CC1)Nc1ccc(Cl)c(Cl)c1 ZINC000022934700 221576726 /nfs/dbraw/zinc/57/67/26/221576726.db2.gz JMALMBJVLVFZGX-UHFFFAOYSA-N 1 2 399.322 2.172 50 0 GEAALO C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000052723594 222007136 /nfs/dbraw/zinc/00/71/36/222007136.db2.gz JTKWTSRPLGFXCN-OAHLLOKOSA-N 1 2 385.430 2.070 50 0 GEAALO CS(=O)(=O)Cc1cccc(C(=O)N2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000053666763 222010916 /nfs/dbraw/zinc/01/09/16/222010916.db2.gz WAYDRZBTLLLDKG-UHFFFAOYSA-N 1 2 386.517 2.232 50 0 GEAALO COc1cc(C(=O)N2CC[NH+](CCc3ccncc3)CC2)cc(OC)c1OC ZINC000054297636 222013853 /nfs/dbraw/zinc/01/38/53/222013853.db2.gz ZYKUTPFLNXBAQJ-UHFFFAOYSA-N 1 2 385.464 2.108 50 0 GEAALO O=C(c1cccc(S(=O)(=O)NCc2cn3ccccc3[nH+]2)c1)N1CCCC1 ZINC000063183627 222066441 /nfs/dbraw/zinc/06/64/41/222066441.db2.gz LINLRGUEEKRZRT-UHFFFAOYSA-N 1 2 384.461 2.049 50 0 GEAALO Cn1c2ccc(Cn3cc[nH+]c3-c3ccc(S(C)(=O)=O)cc3)cc2n(C)c1=O ZINC000071750271 222189971 /nfs/dbraw/zinc/18/99/71/222189971.db2.gz NOLXLAXMUJYBBZ-UHFFFAOYSA-N 1 2 396.472 2.192 50 0 GEAALO CCOc1ccccc1NC(=O)C[NH+]1CCC2(CC1)NC(c1ccccn1)=NO2 ZINC000067317330 222144883 /nfs/dbraw/zinc/14/48/83/222144883.db2.gz DZPCBSDMWJVVOS-UHFFFAOYSA-N 1 2 395.463 2.193 50 0 GEAALO Cc1cc2nc(CNC(=O)c3cc(C[N@@H+]4CCC[C@@H](O)C4)on3)[nH]c2cc1C ZINC000067458914 222147134 /nfs/dbraw/zinc/14/71/34/222147134.db2.gz GIVQMEHVVCLCDQ-CQSZACIVSA-N 1 2 383.452 2.054 50 0 GEAALO Cc1cc2nc(CNC(=O)c3cc(C[N@H+]4CCC[C@@H](O)C4)on3)[nH]c2cc1C ZINC000067458914 222147137 /nfs/dbraw/zinc/14/71/37/222147137.db2.gz GIVQMEHVVCLCDQ-CQSZACIVSA-N 1 2 383.452 2.054 50 0 GEAALO C[NH+]1CCN(S(=O)(=O)Cc2ccc(C(=O)Nc3cccc(F)c3)cc2)CC1 ZINC000067601913 222149457 /nfs/dbraw/zinc/14/94/57/222149457.db2.gz LJFFZBOIQOETJG-UHFFFAOYSA-N 1 2 391.468 2.155 50 0 GEAALO Cc1ccc(-c2cc(O)c3c(c2)C[N@@H+](CC(=O)N2CCOCC2)CCO3)s1 ZINC000067673150 222153662 /nfs/dbraw/zinc/15/36/62/222153662.db2.gz QVYIAZLELXBFOW-UHFFFAOYSA-N 1 2 388.489 2.482 50 0 GEAALO Cc1ccc(-c2cc(O)c3c(c2)C[N@H+](CC(=O)N2CCOCC2)CCO3)s1 ZINC000067673150 222153666 /nfs/dbraw/zinc/15/36/66/222153666.db2.gz QVYIAZLELXBFOW-UHFFFAOYSA-N 1 2 388.489 2.482 50 0 GEAALO COc1ccc2c(c1)[C@H](C(=O)NCc1cccnc1-n1cc[nH+]c1)CC(=O)N2 ZINC000067908064 222166555 /nfs/dbraw/zinc/16/65/55/222166555.db2.gz PDVVOLOCVSSAND-MRXNPFEDSA-N 1 2 377.404 2.018 50 0 GEAALO COc1ccc2[nH]c(-c3cc4n(n3)CCCN(c3cc(N)[nH+]cn3)C4)nc2c1 ZINC000067967132 222168528 /nfs/dbraw/zinc/16/85/28/222168528.db2.gz CBRIPFRXPFKJDH-UHFFFAOYSA-N 1 2 376.424 2.218 50 0 GEAALO COc1ccc2[nH]c(-c3cc4n(n3)CCCN(c3cc(N)nc[nH+]3)C4)nc2c1 ZINC000067967132 222168532 /nfs/dbraw/zinc/16/85/32/222168532.db2.gz CBRIPFRXPFKJDH-UHFFFAOYSA-N 1 2 376.424 2.218 50 0 GEAALO CCCc1ccc(S(=O)(=O)N2CC[NH+](CCn3nc(C)cc3C)CC2)cc1 ZINC000068784676 222172723 /nfs/dbraw/zinc/17/27/23/222172723.db2.gz KEYPDMNGOFOTJU-UHFFFAOYSA-N 1 2 390.553 2.459 50 0 GEAALO O=C([O-])c1ccc(C[NH+]2CCC([N@@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)cc1 ZINC000071765372 222195385 /nfs/dbraw/zinc/19/53/85/222195385.db2.gz IUPLOKRPDLWKDC-SFHVURJKSA-N 1 2 385.508 2.340 50 0 GEAALO O=C([O-])c1ccc(C[NH+]2CCC([N@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)cc1 ZINC000071765372 222195389 /nfs/dbraw/zinc/19/53/89/222195389.db2.gz IUPLOKRPDLWKDC-SFHVURJKSA-N 1 2 385.508 2.340 50 0 GEAALO O=C(c1ccc(O)cn1)N1CCC[C@@H]([NH+]2CCN(c3ccccc3F)CC2)C1 ZINC000072124251 222208837 /nfs/dbraw/zinc/20/88/37/222208837.db2.gz XVZJGBULMWPPLN-MRXNPFEDSA-N 1 2 384.455 2.353 50 0 GEAALO O=C(c1cn2c(n1)C[NH2+]CC2)N1CC(=O)Nc2ccccc2[C@@H]1c1ccccc1 ZINC000072133325 222211274 /nfs/dbraw/zinc/21/12/74/222211274.db2.gz IUNGREYYGOKNQV-NRFANRHFSA-N 1 2 387.443 2.170 50 0 GEAALO C[C@@H](C(=O)Nc1cc(Cl)ccc1F)[NH+]1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000072308910 222223021 /nfs/dbraw/zinc/22/30/21/222223021.db2.gz LPVAEIYQCVKCLW-XTZNXHDOSA-N 1 2 396.850 2.116 50 0 GEAALO O=C(c1ccc2scnc2c1)N1CCn2nc(C[N@H+]3CCC[C@H](O)C3)cc2C1 ZINC000072430683 222258807 /nfs/dbraw/zinc/25/88/07/222258807.db2.gz QQWOCDBJEHGKQE-KRWDZBQOSA-N 1 2 397.504 2.106 50 0 GEAALO O=C(c1ccc2scnc2c1)N1CCn2nc(C[N@@H+]3CCC[C@H](O)C3)cc2C1 ZINC000072430683 222258812 /nfs/dbraw/zinc/25/88/12/222258812.db2.gz QQWOCDBJEHGKQE-KRWDZBQOSA-N 1 2 397.504 2.106 50 0 GEAALO Cc1n[nH]c(CCC(=O)N2C[C@H](c3ccc(C)cc3)[C@@H]3[C@H]2C2CC[NH+]3CC2)n1 ZINC000072429958 222259905 /nfs/dbraw/zinc/25/99/05/222259905.db2.gz AIVLWNYGROIHRF-STZQEDGTSA-N 1 2 379.508 2.443 50 0 GEAALO CCn1cc[nH+]c1C1CCN(C(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)CC1 ZINC000095500559 222333650 /nfs/dbraw/zinc/33/36/50/222333650.db2.gz PZGAVWUVHUMLRW-KRWDZBQOSA-N 1 2 381.480 2.053 50 0 GEAALO COCC(=O)N1CCc2nc[nH]c2C12CC[NH+](Cc1cc(C(C)C)no1)CC2 ZINC000095503361 222336195 /nfs/dbraw/zinc/33/61/95/222336195.db2.gz CNNXKBANILJGSW-UHFFFAOYSA-N 1 2 387.484 2.044 50 0 GEAALO Cc1ccc(C(=O)N2CCC3(CC2)c2[nH+]c[nH]c2CCN3C(=O)C2CC2)cc1O ZINC000095505825 222338836 /nfs/dbraw/zinc/33/88/36/222338836.db2.gz LYQNNIQTENDUBC-UHFFFAOYSA-N 1 2 394.475 2.350 50 0 GEAALO Cn1cc[nH+]c1CN1CCN(C(=O)Nc2ccnn2Cc2ccccc2)CC1 ZINC000095511060 222341731 /nfs/dbraw/zinc/34/17/31/222341731.db2.gz CKTBLOWRFJTAAA-UHFFFAOYSA-N 1 2 379.468 2.015 50 0 GEAALO CC(C)n1cc[nH+]c1[C@H]1CCCN(C(=O)c2ccc(-n3cnnn3)cc2O)C1 ZINC000095512066 222342040 /nfs/dbraw/zinc/34/20/40/222342040.db2.gz NYAOUPYQCSWCQS-AWEZNQCLSA-N 1 2 381.440 2.165 50 0 GEAALO Cn1c(C[NH+]2CCCC2)nnc1[C@@H]1CCCN(C(=O)CCc2ccncc2)C1 ZINC000077339780 222278018 /nfs/dbraw/zinc/27/80/18/222278018.db2.gz HEWULGHGRFUVQR-GOSISDBHSA-N 1 2 382.512 2.145 50 0 GEAALO COC(=O)c1ccc(-c2[nH+]ccn2C[C@H]2CCCN(S(C)(=O)=O)C2)cc1 ZINC000077506177 222285581 /nfs/dbraw/zinc/28/55/81/222285581.db2.gz QJOMCZPYHUIBIQ-CQSZACIVSA-N 1 2 377.466 2.008 50 0 GEAALO COCCNc1nc2cc(C(=O)N3CCC[C@H](c4[nH]cc[nH+]4)C3)ccc2n1C ZINC000095522298 222347824 /nfs/dbraw/zinc/34/78/24/222347824.db2.gz ZGLSWXZNHBUZNB-HNNXBMFYSA-N 1 2 382.468 2.375 50 0 GEAALO C[C@H](C(=O)N1CCC(c2[nH+]ccn2Cc2cccnc2)CC1)N1CCCC1=O ZINC000095525010 222348460 /nfs/dbraw/zinc/34/84/60/222348460.db2.gz PWFJFLHJXYGZCQ-MRXNPFEDSA-N 1 2 381.480 2.043 50 0 GEAALO Cc1[nH]c2ccccc2c1CC(=O)N1CCC[C@H](c2[nH+]ccn2CC(N)=O)C1 ZINC000095525780 222350861 /nfs/dbraw/zinc/35/08/61/222350861.db2.gz LBRPJMSBQRXFOI-HNNXBMFYSA-N 1 2 379.464 2.107 50 0 GEAALO CCn1c(C[NH+](C)C)nnc1C1CCN(C(=O)COc2ccc(C)cc2)CC1 ZINC000096150979 222391441 /nfs/dbraw/zinc/39/14/41/222391441.db2.gz SHLOBCBXNKBFEZ-UHFFFAOYSA-N 1 2 385.512 2.453 50 0 GEAALO CCNC(=O)[C@@H]1C[C@H](NC(=O)c2scnc2C)C[N@@H+]1Cc1cccs1 ZINC000096152958 222391776 /nfs/dbraw/zinc/39/17/76/222391776.db2.gz ZFAXKRBKTFMSQM-JSGCOSHPSA-N 1 2 378.523 2.022 50 0 GEAALO CCNC(=O)[C@@H]1C[C@H](NC(=O)c2scnc2C)C[N@H+]1Cc1cccs1 ZINC000096152958 222391778 /nfs/dbraw/zinc/39/17/78/222391778.db2.gz ZFAXKRBKTFMSQM-JSGCOSHPSA-N 1 2 378.523 2.022 50 0 GEAALO CCn1c(C[NH+](C)C)nnc1C1CCN(C(=O)c2ncc(F)cc2F)CC1 ZINC000096167025 222395653 /nfs/dbraw/zinc/39/56/53/222395653.db2.gz LUDWULNLYUEXNZ-UHFFFAOYSA-N 1 2 378.427 2.053 50 0 GEAALO O=c1c(=O)c(N2CC[NH+](Cc3ccccc3)CC2)c1NCc1cccc(F)c1 ZINC000101703510 222476705 /nfs/dbraw/zinc/47/67/05/222476705.db2.gz YJNAQLLEHRVMGX-UHFFFAOYSA-N 1 2 379.435 2.356 50 0 GEAALO CC(C)(C[NH+]1CCOCC1)NC(=O)N1CCC([C@H](O)c2cccs2)CC1 ZINC000426435100 527085216 /nfs/dbraw/zinc/08/52/16/527085216.db2.gz ZMJGWQFFYZGBNV-KRWDZBQOSA-N 1 2 381.542 2.314 50 0 GEAALO CCC(=O)N1CCc2[nH]c[nH+]c2C12CCN(C(=O)c1onc3c1CCCC3)CC2 ZINC000426548516 528380590 /nfs/dbraw/zinc/38/05/90/528380590.db2.gz LZUHCGDJJVEQHB-UHFFFAOYSA-N 1 2 397.479 2.203 50 0 GEAALO CCC(=O)NCc1cc2n(n1)CC[N@H+](Cc1cc(OC)ccc1-n1cccn1)C2 ZINC000426555503 528393447 /nfs/dbraw/zinc/39/34/47/528393447.db2.gz KOQVSSTXIWXEKB-UHFFFAOYSA-N 1 2 394.479 2.119 50 0 GEAALO CCC(=O)NCc1cc2n(n1)CC[N@@H+](Cc1cc(OC)ccc1-n1cccn1)C2 ZINC000426555503 528393456 /nfs/dbraw/zinc/39/34/56/528393456.db2.gz KOQVSSTXIWXEKB-UHFFFAOYSA-N 1 2 394.479 2.119 50 0 GEAALO CCOc1ccccc1NC(=O)Nc1c[nH+]c(N2CCOCC2)nc1N(C)C ZINC000096121423 535531837 /nfs/dbraw/zinc/53/18/37/535531837.db2.gz WRWBBUUSBARYQQ-UHFFFAOYSA-N 1 2 386.456 2.422 50 0 GEAALO COc1ccc(CNC(=O)CCc2cc[nH+]c(N3CCOCC3)c2)c(OC)c1 ZINC000065269763 536865302 /nfs/dbraw/zinc/86/53/02/536865302.db2.gz WUDPKHXQTSDGFZ-UHFFFAOYSA-N 1 2 385.464 2.184 50 0 GEAALO COc1cccc(N2CC[NH+]([C@@H]3CC(=O)N(c4ccc(F)cc4)C3=O)CC2)c1 ZINC000100129015 537124716 /nfs/dbraw/zinc/12/47/16/537124716.db2.gz IQZPBBHRWUUQEY-LJQANCHMSA-N 1 2 383.423 2.288 50 0 GEAALO O=C(Nc1cccc(-c2c[nH]c[nH+]2)c1)N1CCCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000096131077 570211256 /nfs/dbraw/zinc/21/12/56/570211256.db2.gz ZJRZEDVBZLBCTA-SFHVURJKSA-N 1 2 383.452 2.322 50 0 GEAALO Cc1cccc(O[C@H](C)C(=O)N2CCC[N@@H+](CC(=O)NC(C)C)CC2)c1C ZINC000047854305 570215690 /nfs/dbraw/zinc/21/56/90/570215690.db2.gz MTGGRALXWNBNPV-GOSISDBHSA-N 1 2 375.513 2.130 50 0 GEAALO Cc1cccc(O[C@H](C)C(=O)N2CCC[N@H+](CC(=O)NC(C)C)CC2)c1C ZINC000047854305 570215694 /nfs/dbraw/zinc/21/56/94/570215694.db2.gz MTGGRALXWNBNPV-GOSISDBHSA-N 1 2 375.513 2.130 50 0 GEAALO Cn1cc[nH+]c1[C@H](NC(=O)c1cnc2sccn2c1=O)c1cccc(F)c1 ZINC000048237178 570222434 /nfs/dbraw/zinc/22/24/34/570222434.db2.gz HXQURQKOQTYFRD-CQSZACIVSA-N 1 2 383.408 2.148 50 0 GEAALO O=C1CCCN1c1ccc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000019821098 570222549 /nfs/dbraw/zinc/22/25/49/570222549.db2.gz IRJZVYDDNSMENL-UHFFFAOYSA-N 1 2 399.516 2.320 50 0 GEAALO C[NH+]1CCN(C(=O)c2nc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)CC1 ZINC000019857313 570225969 /nfs/dbraw/zinc/22/59/69/570225969.db2.gz VCLDRNDMQRISDP-UHFFFAOYSA-N 1 2 396.398 2.259 50 0 GEAALO COc1ccccc1OCC(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000019877244 570227019 /nfs/dbraw/zinc/22/70/19/570227019.db2.gz CBJJVDIHAIVCKO-UHFFFAOYSA-N 1 2 384.432 2.147 50 0 GEAALO COCCCNC(=O)[C@@H](C1CCCC1)[NH+]1CCN(C(=O)CC(C)(C)C)CC1 ZINC000096280277 570228011 /nfs/dbraw/zinc/22/80/11/570228011.db2.gz KWBZNNKVJQYUDC-LJQANCHMSA-N 1 2 381.561 2.278 50 0 GEAALO Cc1nc(N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)nc2c1C(=O)CCC2 ZINC000019899766 570228893 /nfs/dbraw/zinc/22/88/93/570228893.db2.gz USUMAMBBOOOYBL-UHFFFAOYSA-N 1 2 380.448 2.355 50 0 GEAALO O=C(C[N@@H+](Cc1ccccc1C(F)(F)F)C1CC1)NCC(=O)N1CCCC1 ZINC000048369234 570248298 /nfs/dbraw/zinc/24/82/98/570248298.db2.gz WRDGDVCPDBSROT-UHFFFAOYSA-N 1 2 383.414 2.408 50 0 GEAALO O=C(C[N@H+](Cc1ccccc1C(F)(F)F)C1CC1)NCC(=O)N1CCCC1 ZINC000048369234 570248299 /nfs/dbraw/zinc/24/82/99/570248299.db2.gz WRDGDVCPDBSROT-UHFFFAOYSA-N 1 2 383.414 2.408 50 0 GEAALO COc1cccc(C[NH+]2CCN(C(=O)c3cccc(-c4nc[nH]n4)c3)CC2)c1 ZINC000097717324 570251263 /nfs/dbraw/zinc/25/12/63/570251263.db2.gz XDDVMNBVQMPSRK-UHFFFAOYSA-N 1 2 377.448 2.438 50 0 GEAALO O=C(NCC[NH+]1CCOCC1)c1cc(COc2cccc(C(F)(F)F)c2)n[nH]1 ZINC000020481286 570261404 /nfs/dbraw/zinc/26/14/04/570261404.db2.gz GUJBLHRLDDXKOY-UHFFFAOYSA-N 1 2 398.385 2.070 50 0 GEAALO O=C(C[NH+]1CCC(c2nnc(C3CC3)o2)CC1)NCc1ccc2c(c1)OCO2 ZINC000049377575 570263563 /nfs/dbraw/zinc/26/35/63/570263563.db2.gz CNBNTMSRRZZGTK-UHFFFAOYSA-N 1 2 384.436 2.172 50 0 GEAALO COc1ccc(NC(=O)c2cn(-c3cc(N4CCSCC4)[nH+]cn3)cn2)cc1 ZINC000049411290 570266478 /nfs/dbraw/zinc/26/64/78/570266478.db2.gz CFQDEZAIZLUHGO-UHFFFAOYSA-N 1 2 396.476 2.476 50 0 GEAALO CC[C@H](O)CNC(=O)c1coc(CN2CC[NH+](C/C=C/c3ccccc3)CC2)n1 ZINC000020783962 570280286 /nfs/dbraw/zinc/28/02/86/570280286.db2.gz HLHXRKVILQHSCE-AIADIJKESA-N 1 2 398.507 2.006 50 0 GEAALO CCN(CC)C(=O)C[N@H+](C)CC(=O)N[C@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000012900400 570287784 /nfs/dbraw/zinc/28/77/84/570287784.db2.gz BVYCQAUHRTWUCA-NRFANRHFSA-N 1 2 391.512 2.071 50 0 GEAALO CCN(CC)C(=O)C[N@@H+](C)CC(=O)N[C@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000012900400 570287786 /nfs/dbraw/zinc/28/77/86/570287786.db2.gz BVYCQAUHRTWUCA-NRFANRHFSA-N 1 2 391.512 2.071 50 0 GEAALO COc1ccccc1C(=O)N1CCc2[nH+]c(N3CCCC3)nc(N(C)C)c2C1 ZINC000034678675 570294938 /nfs/dbraw/zinc/29/49/38/570294938.db2.gz RANAAJXLYRZSHZ-UHFFFAOYSA-N 1 2 381.480 2.350 50 0 GEAALO CC(C)c1noc(C[NH+]2CCC(N3c4ccccc4N(C)S3(=O)=O)CC2)n1 ZINC000575414178 570303677 /nfs/dbraw/zinc/30/36/77/570303677.db2.gz ILLWKKWZFHPYEV-UHFFFAOYSA-N 1 2 391.497 2.359 50 0 GEAALO Cc1cccc(-n2ccnc2SCC(=O)NCC(C)(C)[NH+]2CCOCC2)c1 ZINC000022133820 570306467 /nfs/dbraw/zinc/30/64/67/570306467.db2.gz SWJQRIQWZRCAOI-UHFFFAOYSA-N 1 2 388.537 2.500 50 0 GEAALO COc1ccc(C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)cc1OC ZINC000022465564 570318001 /nfs/dbraw/zinc/31/80/01/570318001.db2.gz LTQMUMQBRHGLMB-UHFFFAOYSA-N 1 2 383.448 2.344 50 0 GEAALO Cc1nc2ccccn2c1C[NH+]1CCN(Cn2c3ccccc3oc2=O)CC1 ZINC000022793403 570328229 /nfs/dbraw/zinc/32/82/29/570328229.db2.gz ZFNNJUPKUXSVOO-UHFFFAOYSA-N 1 2 377.448 2.326 50 0 GEAALO Cc1nn(C)c(C)c1CCC(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000022837591 570330546 /nfs/dbraw/zinc/33/05/46/570330546.db2.gz AXDGSCUMHMSSGC-KRWDZBQOSA-N 1 2 376.526 2.221 50 0 GEAALO CN(C)c1nc(N2CCCC2)[nH+]c2c1CN(C(=O)NCc1ccccc1)CC2 ZINC000034756591 570332818 /nfs/dbraw/zinc/33/28/18/570332818.db2.gz OZFGUPKLIJQVDF-UHFFFAOYSA-N 1 2 380.496 2.411 50 0 GEAALO OCC[C@H]1C[N@H+](Cc2cccn2-c2ncccn2)CCN1Cc1ccc(F)cc1 ZINC000022932887 570337693 /nfs/dbraw/zinc/33/76/93/570337693.db2.gz ZJTKHKGWRHOTGF-FQEVSTJZSA-N 1 2 395.482 2.475 50 0 GEAALO OCC[C@H]1C[N@@H+](Cc2cccn2-c2ncccn2)CCN1Cc1ccc(F)cc1 ZINC000022932887 570337697 /nfs/dbraw/zinc/33/76/97/570337697.db2.gz ZJTKHKGWRHOTGF-FQEVSTJZSA-N 1 2 395.482 2.475 50 0 GEAALO O=C(NCc1ccc(N2CCCC2)[nH+]c1)[C@@H]1CCCN(C(=O)c2ccco2)C1 ZINC000023101610 570343929 /nfs/dbraw/zinc/34/39/29/570343929.db2.gz ZVQMTKALMIJNNE-QGZVFWFLSA-N 1 2 382.464 2.443 50 0 GEAALO C[C@@H](CCNC(=O)C1(c2ccc(S(C)(=O)=O)cc2)CCC1)n1cc[nH+]c1 ZINC000219229945 570350049 /nfs/dbraw/zinc/35/00/49/570350049.db2.gz ZCQLSBMWRRTOFD-HNNXBMFYSA-N 1 2 375.494 2.476 50 0 GEAALO O=C(CN1CC[NH+](Cc2ccccc2Oc2ccccc2)CC1)N1CCOCC1 ZINC000023248788 570352274 /nfs/dbraw/zinc/35/22/74/570352274.db2.gz YCIZQQYXVPHQBU-UHFFFAOYSA-N 1 2 395.503 2.455 50 0 GEAALO CN(C)C(=O)[C@H](c1ccccc1)[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000023291421 570354140 /nfs/dbraw/zinc/35/41/40/570354140.db2.gz VYLPPTQRWNSGQU-NRFANRHFSA-N 1 2 381.476 2.362 50 0 GEAALO CN(C)C(=O)[C@H](c1ccccc1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000023291421 570354144 /nfs/dbraw/zinc/35/41/44/570354144.db2.gz VYLPPTQRWNSGQU-NRFANRHFSA-N 1 2 381.476 2.362 50 0 GEAALO C[C@@]12C[C@@H](c3ccccc3O1)[C@@H](C(N)=O)C(=O)N2CCc1cn2ccccc2[nH+]1 ZINC000604419578 570363396 /nfs/dbraw/zinc/36/33/96/570363396.db2.gz GDJSTLXWFFGZFV-BPXKWBHBSA-N 1 2 390.443 2.103 50 0 GEAALO CC[N@H+](CCCNS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)c1ccccc1 ZINC000004924386 570370489 /nfs/dbraw/zinc/37/04/89/570370489.db2.gz UDKPRZOFOKQFJD-UHFFFAOYSA-N 1 2 389.477 2.326 50 0 GEAALO CC[N@@H+](CCCNS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)c1ccccc1 ZINC000004924386 570370495 /nfs/dbraw/zinc/37/04/95/570370495.db2.gz UDKPRZOFOKQFJD-UHFFFAOYSA-N 1 2 389.477 2.326 50 0 GEAALO O=C(NCC[NH+]1CCOCC1)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O ZINC000023761323 570371744 /nfs/dbraw/zinc/37/17/44/570371744.db2.gz JCZSVTYBXILODH-HXUWFJFHSA-N 1 2 380.444 2.203 50 0 GEAALO Cc1ccccc1Cn1c(C[NH+]2CCC(C)CC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000004930071 570371793 /nfs/dbraw/zinc/37/17/93/570371793.db2.gz IRSXGYOJXDPPJY-UHFFFAOYSA-N 1 2 395.507 2.022 50 0 GEAALO NC(=O)Cn1c(C[N@@H+]2CCc3sccc3[C@H]2C2CC2)nc2ccccc2c1=O ZINC000023819918 570373359 /nfs/dbraw/zinc/37/33/59/570373359.db2.gz LGAGOLBYIOXWPU-HXUWFJFHSA-N 1 2 394.500 2.453 50 0 GEAALO NC(=O)Cn1c(C[N@H+]2CCc3sccc3[C@H]2C2CC2)nc2ccccc2c1=O ZINC000023819918 570373364 /nfs/dbraw/zinc/37/33/64/570373364.db2.gz LGAGOLBYIOXWPU-HXUWFJFHSA-N 1 2 394.500 2.453 50 0 GEAALO O=c1onc(-c2ccccc2)n1C[C@H](O)C[N@@H+]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000229802130 570378091 /nfs/dbraw/zinc/37/80/91/570378091.db2.gz UHAXHMDIPUCLCE-RTBURBONSA-N 1 2 399.422 2.077 50 0 GEAALO O=c1onc(-c2ccccc2)n1C[C@H](O)C[N@H+]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000229802130 570378094 /nfs/dbraw/zinc/37/80/94/570378094.db2.gz UHAXHMDIPUCLCE-RTBURBONSA-N 1 2 399.422 2.077 50 0 GEAALO O=C(NCCCn1cc[nH+]c1-c1ccccc1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000090583461 570380577 /nfs/dbraw/zinc/38/05/77/570380577.db2.gz GYDJZZJLDOFSRE-UHFFFAOYSA-N 1 2 392.415 2.424 50 0 GEAALO COc1ccc(C)cc1C[NH+]1CCN(C(=O)c2ccc(CNC(N)=O)cc2)CC1 ZINC000024291728 570381812 /nfs/dbraw/zinc/38/18/12/570381812.db2.gz ZVJJNIFCDABADV-UHFFFAOYSA-N 1 2 396.491 2.130 50 0 GEAALO COc1ccc(OCC[NH+]2CCN(C(=O)c3cccc(NC(C)=O)c3)CC2)cc1 ZINC000024601807 570386922 /nfs/dbraw/zinc/38/69/22/570386922.db2.gz VNKKENHOLYGECV-UHFFFAOYSA-N 1 2 397.475 2.490 50 0 GEAALO COc1ccc([C@@H]2CC(=O)c3c(C)nc(N4CC[NH+](C)CC4)nc3C2)c(OC)c1 ZINC000004988726 570390196 /nfs/dbraw/zinc/39/01/96/570390196.db2.gz NELPOGLABPWWAO-HNNXBMFYSA-N 1 2 396.491 2.467 50 0 GEAALO COc1ccc(F)c(F)c1C[N@@H+]1CCn2nc([C@@H](O)c3ccnn3C)cc2C1 ZINC000221188089 570391752 /nfs/dbraw/zinc/39/17/52/570391752.db2.gz SKHYHXZKJFSPSS-LJQANCHMSA-N 1 2 389.406 2.001 50 0 GEAALO COc1ccc(F)c(F)c1C[N@H+]1CCn2nc([C@@H](O)c3ccnn3C)cc2C1 ZINC000221188089 570391754 /nfs/dbraw/zinc/39/17/54/570391754.db2.gz SKHYHXZKJFSPSS-LJQANCHMSA-N 1 2 389.406 2.001 50 0 GEAALO COc1ccc(NC(=O)N2CCN(c3cc(-n4cc[nH+]c4)ncn3)CC2)c(C)c1 ZINC000035598151 570400474 /nfs/dbraw/zinc/40/04/74/570400474.db2.gz FWBJRPIMFHAOTB-UHFFFAOYSA-N 1 2 393.451 2.333 50 0 GEAALO O=S(=O)(Cc1ccc(F)cc1)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000025370831 570412190 /nfs/dbraw/zinc/41/21/90/570412190.db2.gz WWNMTGKVIFKZSU-UHFFFAOYSA-N 1 2 390.480 2.408 50 0 GEAALO Cc1cc(N2CCN(S(=O)(=O)N(C)C3CCCCC3)CC2)nc(C2CC2)[nH+]1 ZINC000329262470 570460913 /nfs/dbraw/zinc/46/09/13/570460913.db2.gz BLIVUISXTXDMFP-UHFFFAOYSA-N 1 2 393.557 2.294 50 0 GEAALO Cc1nn(-c2ccccc2)c(Cl)c1CN1CC[NH+](CC(=O)NC2CC2)CC1 ZINC000028721203 570463613 /nfs/dbraw/zinc/46/36/13/570463613.db2.gz XHJMYBZCCBOHHY-UHFFFAOYSA-N 1 2 387.915 2.230 50 0 GEAALO COc1c(F)c(F)cc2c(=O)c(C(=O)NCCc3c[nH+]c[nH]3)cn(C3CC3)c21 ZINC000006668853 570487281 /nfs/dbraw/zinc/48/72/81/570487281.db2.gz XCZZUQUSRDJVDZ-UHFFFAOYSA-N 1 2 388.374 2.319 50 0 GEAALO COc1c(F)c(F)cc2c(=O)c(C(=O)NCCc3c[nH]c[nH+]3)cn(C3CC3)c21 ZINC000006668853 570487285 /nfs/dbraw/zinc/48/72/85/570487285.db2.gz XCZZUQUSRDJVDZ-UHFFFAOYSA-N 1 2 388.374 2.319 50 0 GEAALO CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)C[NH+]1CCCCCC1 ZINC000006612903 570504402 /nfs/dbraw/zinc/50/44/02/570504402.db2.gz MMHLLTJZHSLCMU-UHFFFAOYSA-N 1 2 381.498 2.407 50 0 GEAALO CC(=O)Oc1ccc(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000022242094 570538392 /nfs/dbraw/zinc/53/83/92/570538392.db2.gz JQPGIZVMHZKOSM-UHFFFAOYSA-N 1 2 382.416 2.299 50 0 GEAALO CC1=C(C(N)=O)[C@H](c2ccc(F)cc2)N2NC(c3ccc(N(C)C)cc3)=[NH+]C2=N1 ZINC000006732427 570557141 /nfs/dbraw/zinc/55/71/41/570557141.db2.gz GKKYLJZASHBLNS-SFHVURJKSA-N 1 2 392.438 2.329 50 0 GEAALO O=C(NC[C@@H]1CCCO1)[C@@H](C1CCCC1)[NH+]1CCN(C(=O)C2CCCC2)CC1 ZINC000036253936 570588182 /nfs/dbraw/zinc/58/81/82/570588182.db2.gz WWEGUIFTNAPDQA-VQTJNVASSA-N 1 2 391.556 2.175 50 0 GEAALO CNC(=O)[C@@H](C1CCCC1)[NH+]1CCN(C(=O)COc2ccc(Cl)cc2)CC1 ZINC000036256600 570588677 /nfs/dbraw/zinc/58/86/77/570588677.db2.gz JNFACGJAUABTEB-LJQANCHMSA-N 1 2 393.915 2.168 50 0 GEAALO O=C(Nc1c[nH]nc1-c1nc2cc(C[NH+]3CCOCC3)ccc2[nH]1)NC1CC1 ZINC000038995988 570589077 /nfs/dbraw/zinc/58/90/77/570589077.db2.gz LOLPPWBBNUVNQZ-UHFFFAOYSA-N 1 2 381.440 2.069 50 0 investigational GEAALO O=C(Nc1c[nH]nc1-c1nc2ccc(C[NH+]3CCOCC3)cc2[nH]1)NC1CC1 ZINC000038995988 570589079 /nfs/dbraw/zinc/58/90/79/570589079.db2.gz LOLPPWBBNUVNQZ-UHFFFAOYSA-N 1 2 381.440 2.069 50 0 investigational GEAALO CC(=O)Nc1ccc(NC(=O)[C@@H](C2CCCC2)[NH+]2CCN(C(C)=O)CC2)cc1 ZINC000036311978 570610128 /nfs/dbraw/zinc/61/01/28/570610128.db2.gz KDEZSKIMEJPNCO-HXUWFJFHSA-N 1 2 386.496 2.306 50 0 GEAALO C[C@@H](C[NH+]1CCOCC1)NC(=O)C[C@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000240668034 570685420 /nfs/dbraw/zinc/68/54/20/570685420.db2.gz HMAWEWRJQIJFBJ-IRXDYDNUSA-N 1 2 397.560 2.497 50 0 GEAALO CCc1nnc(NC(=O)CC[N@@H+]2CCN(Cc3ccccc3)C(=O)[C@H]2C)s1 ZINC000243901009 570691771 /nfs/dbraw/zinc/69/17/71/570691771.db2.gz AYJQKFDZVFEUOO-CQSZACIVSA-N 1 2 387.509 2.162 50 0 GEAALO CCc1nnc(NC(=O)CC[N@H+]2CCN(Cc3ccccc3)C(=O)[C@H]2C)s1 ZINC000243901009 570691775 /nfs/dbraw/zinc/69/17/75/570691775.db2.gz AYJQKFDZVFEUOO-CQSZACIVSA-N 1 2 387.509 2.162 50 0 GEAALO COc1cc(NC(=O)C[N@@H+]2CCCN(c3nccs3)CC2)cc(OC)c1 ZINC000058167184 570714371 /nfs/dbraw/zinc/71/43/71/570714371.db2.gz FHIKVZLFSFHMBT-UHFFFAOYSA-N 1 2 376.482 2.311 50 0 GEAALO COc1cc(NC(=O)C[N@H+]2CCCN(c3nccs3)CC2)cc(OC)c1 ZINC000058167184 570714374 /nfs/dbraw/zinc/71/43/74/570714374.db2.gz FHIKVZLFSFHMBT-UHFFFAOYSA-N 1 2 376.482 2.311 50 0 GEAALO O=C1C(=O)N(c2ccc(F)cc2)C[C@H]1N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000210972571 570723760 /nfs/dbraw/zinc/72/37/60/570723760.db2.gz UNPHQJDSFXXXTP-ANIGNSTFSA-N 1 2 393.462 2.441 50 0 GEAALO C[C@H](C(=O)Nc1ccc(F)cc1Cl)[NH+]1CCC(C(=O)N2CCOCC2)CC1 ZINC000032665163 570731166 /nfs/dbraw/zinc/73/11/66/570731166.db2.gz GWZOUTGKGPDOBC-CYBMUJFWSA-N 1 2 397.878 2.377 50 0 GEAALO Cc1ccc(NC(=O)CN2CC[NH+]([C@@H](C)C(=O)NC3CCCCC3)CC2)cc1 ZINC000022932334 570732011 /nfs/dbraw/zinc/73/20/11/570732011.db2.gz OWZYQOKQUWVWMQ-SFHVURJKSA-N 1 2 386.540 2.389 50 0 GEAALO CNS(=O)(=O)c1cccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c1 ZINC000025480789 570754403 /nfs/dbraw/zinc/75/44/03/570754403.db2.gz MALVMICJJFAGMH-RMKNXTFCSA-N 1 2 399.516 2.066 50 0 GEAALO Cn1ncc2c1nc[nH+]c2SC[C@H]1CSc2nnc(-c3ccncc3)n21 ZINC000032777286 570799434 /nfs/dbraw/zinc/79/94/34/570799434.db2.gz NHXAFLOYALTYMQ-NSHDSACASA-N 1 2 382.478 2.456 50 0 GEAALO Cc1ccc(-c2nnn(CC(=O)N3CC[NH+](Cc4ccccc4F)CC3)n2)cc1 ZINC000031648594 570818670 /nfs/dbraw/zinc/81/86/70/570818670.db2.gz RZCXNDYXTPEYID-UHFFFAOYSA-N 1 2 394.454 2.132 50 0 GEAALO COc1ccc(CNc2c(=O)c(=O)c2N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000101703094 570829374 /nfs/dbraw/zinc/82/93/74/570829374.db2.gz TXLPQGQLCOWBMG-UHFFFAOYSA-N 1 2 391.471 2.226 50 0 GEAALO O=C(CCc1nc(-c2cccnc2)no1)N1CC[NH+](Cc2cccs2)CC1 ZINC000032824675 570839049 /nfs/dbraw/zinc/83/90/49/570839049.db2.gz FFWNVBBARKDXKP-UHFFFAOYSA-N 1 2 383.477 2.470 50 0 GEAALO Cc1cc(C)n2nc(SCC[NH+]3CCN(C(=O)OC(C)(C)C)CC3)nc2n1 ZINC000170605474 570863084 /nfs/dbraw/zinc/86/30/84/570863084.db2.gz LPRVYBYUDZFMBP-UHFFFAOYSA-N 1 2 392.529 2.386 50 0 GEAALO O=C(NC[C@@H]([C@@H]1CCOC1)[NH+]1CCOCC1)c1csc(-c2ccsc2)n1 ZINC000042394292 570890841 /nfs/dbraw/zinc/89/08/41/570890841.db2.gz DDFBPVFWBRWKEG-CJNGLKHVSA-N 1 2 393.534 2.339 50 0 GEAALO Cc1cc(C)[nH+]c(-c2cccc(C(=O)N3CCc4c(c(C(N)=O)nn4C)C3)c2)c1 ZINC000299769829 570894163 /nfs/dbraw/zinc/89/41/63/570894163.db2.gz REGVAEJZSVGCIC-UHFFFAOYSA-N 1 2 389.459 2.396 50 0 GEAALO CCC(=O)NCc1cc2n(n1)CC[N@H+](Cc1ccc(Cn3cccn3)cc1)C2 ZINC000299778867 570895097 /nfs/dbraw/zinc/89/50/97/570895097.db2.gz RFGFMLBSTMWSKB-UHFFFAOYSA-N 1 2 378.480 2.170 50 0 GEAALO CCC(=O)NCc1cc2n(n1)CC[N@@H+](Cc1ccc(Cn3cccn3)cc1)C2 ZINC000299778867 570895100 /nfs/dbraw/zinc/89/51/00/570895100.db2.gz RFGFMLBSTMWSKB-UHFFFAOYSA-N 1 2 378.480 2.170 50 0 GEAALO CC(=O)N1C[C@H](C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)Oc2ccccc21 ZINC000032902296 570898032 /nfs/dbraw/zinc/89/80/32/570898032.db2.gz YPZZGEXLBLPSCZ-QGZVFWFLSA-N 1 2 384.823 2.418 50 0 GEAALO COCC[NH+]1CCN(C(=O)NCCCc2nc3ccc(Cl)cc3[nH]2)CC1 ZINC000534592248 570907110 /nfs/dbraw/zinc/90/71/10/570907110.db2.gz USWCAROONRUPGM-UHFFFAOYSA-N 1 2 379.892 2.123 50 0 GEAALO CCOc1ccccc1NC(=O)CSc1nnc(N2CC[NH+](C)CC2)s1 ZINC000023139767 570917054 /nfs/dbraw/zinc/91/70/54/570917054.db2.gz KZAPZMVGNWPLNI-UHFFFAOYSA-N 1 2 393.538 2.419 50 0 GEAALO Cc1nc2n(n1)C(=O)C([C@@H](c1ccc(C)cc1)[NH+]1CCC(C(N)=O)CC1)S2 ZINC000023156861 570920744 /nfs/dbraw/zinc/92/07/44/570920744.db2.gz PLERUGIEIJPJED-OAHLLOKOSA-N 1 2 385.493 2.400 50 0 GEAALO CCCC[N@@H+]1CCOC[C@@H]1C(=O)NCC(C)(C)c1ccc2c(c1)OCCO2 ZINC000184339393 570931094 /nfs/dbraw/zinc/93/10/94/570931094.db2.gz OPOPIISGECZYCY-QGZVFWFLSA-N 1 2 376.497 2.353 50 0 GEAALO CCCC[N@H+]1CCOC[C@@H]1C(=O)NCC(C)(C)c1ccc2c(c1)OCCO2 ZINC000184339393 570931097 /nfs/dbraw/zinc/93/10/97/570931097.db2.gz OPOPIISGECZYCY-QGZVFWFLSA-N 1 2 376.497 2.353 50 0 GEAALO COc1c2c(c(NC(=O)[C@H]3COc4ccccc4O3)c3c1C[N@H+](C)CC3)OCO2 ZINC000032123831 570963481 /nfs/dbraw/zinc/96/34/81/570963481.db2.gz MKIMAERNPQFBCA-MRXNPFEDSA-N 1 2 398.415 2.190 50 0 GEAALO COc1c2c(c(NC(=O)[C@H]3COc4ccccc4O3)c3c1C[N@@H+](C)CC3)OCO2 ZINC000032123831 570963482 /nfs/dbraw/zinc/96/34/82/570963482.db2.gz MKIMAERNPQFBCA-MRXNPFEDSA-N 1 2 398.415 2.190 50 0 GEAALO COc1ccccc1NC(=O)COc1coc(C[NH+]2CCSCC2)cc1=O ZINC000044900696 570981269 /nfs/dbraw/zinc/98/12/69/570981269.db2.gz LPBYDNWUOJGZSD-UHFFFAOYSA-N 1 2 390.461 2.215 50 0 GEAALO COc1cccc([C@H]2CCCN2C(=O)COC(=O)C[N@H+](C)[C@H]2CCSC2)c1 ZINC000108151051 570984460 /nfs/dbraw/zinc/98/44/60/570984460.db2.gz BSJIIIBNFAAYMS-FUHWJXTLSA-N 1 2 392.521 2.339 50 0 GEAALO COc1cccc([C@H]2CCCN2C(=O)COC(=O)C[N@@H+](C)[C@H]2CCSC2)c1 ZINC000108151051 570984465 /nfs/dbraw/zinc/98/44/65/570984465.db2.gz BSJIIIBNFAAYMS-FUHWJXTLSA-N 1 2 392.521 2.339 50 0 GEAALO COc1cccc([C@@H]2CCCN2C(=O)COC(=O)C[N@H+](C)[C@H]2CCSC2)c1 ZINC000108151047 570984570 /nfs/dbraw/zinc/98/45/70/570984570.db2.gz BSJIIIBNFAAYMS-WMZOPIPTSA-N 1 2 392.521 2.339 50 0 GEAALO COc1cccc([C@@H]2CCCN2C(=O)COC(=O)C[N@@H+](C)[C@H]2CCSC2)c1 ZINC000108151047 570984571 /nfs/dbraw/zinc/98/45/71/570984571.db2.gz BSJIIIBNFAAYMS-WMZOPIPTSA-N 1 2 392.521 2.339 50 0 GEAALO COCC(=O)Nc1cccc(NC(=O)[C@@H](C(C)C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000109048541 570995804 /nfs/dbraw/zinc/99/58/04/570995804.db2.gz UXACJPNOUHALFM-ZRGWGRIASA-N 1 2 377.485 2.344 50 0 GEAALO COCC(=O)Nc1cccc(NC(=O)[C@@H](C(C)C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000109048541 570995808 /nfs/dbraw/zinc/99/58/08/570995808.db2.gz UXACJPNOUHALFM-ZRGWGRIASA-N 1 2 377.485 2.344 50 0 GEAALO COCC(=O)NCc1cc2n(n1)CCC[N@H+](Cc1ccc(Cl)c(F)c1)C2 ZINC000091350949 571003980 /nfs/dbraw/zinc/00/39/80/571003980.db2.gz SSKZBOQTVHOQOA-UHFFFAOYSA-N 1 2 380.851 2.344 50 0 GEAALO COCC(=O)NCc1cc2n(n1)CCC[N@@H+](Cc1ccc(Cl)c(F)c1)C2 ZINC000091350949 571003982 /nfs/dbraw/zinc/00/39/82/571003982.db2.gz SSKZBOQTVHOQOA-UHFFFAOYSA-N 1 2 380.851 2.344 50 0 GEAALO CCCSCC(=O)N1CCC2(CC1)c1[nH+]c[nH]c1CCN2C(=O)C1CC1 ZINC000091391239 571006005 /nfs/dbraw/zinc/00/60/05/571006005.db2.gz UZXOEVPGQGXSHM-UHFFFAOYSA-N 1 2 376.526 2.165 50 0 GEAALO CCS[C@@H](C)C(=O)N1CCC2(CC1)c1[nH+]c[nH]c1CCN2C(=O)C1CC1 ZINC000091563201 571014956 /nfs/dbraw/zinc/01/49/56/571014956.db2.gz ATVHKRHJUOYCSG-ZDUSSCGKSA-N 1 2 376.526 2.164 50 0 GEAALO Cn1cccc1-c1cc(C(=O)N2CC[NH+](CCOc3ccccc3)CC2)[nH]n1 ZINC000091595516 571016610 /nfs/dbraw/zinc/01/66/10/571016610.db2.gz CWTMPIKVPOKOBM-UHFFFAOYSA-N 1 2 379.464 2.252 50 0 GEAALO CS[C@H](C)C(=O)N1CCC2(CCC(=O)N(CCCn3cc[nH+]c3)C2)CC1 ZINC000091616305 571018084 /nfs/dbraw/zinc/01/80/84/571018084.db2.gz LIAMGOLLFLBGJQ-MRXNPFEDSA-N 1 2 378.542 2.256 50 0 GEAALO C[N@H+](CC(=O)N1CCC[C@@]2(CCC(=O)N(CC3CC3)C2)C1)Cc1cccnc1 ZINC000091646018 571022566 /nfs/dbraw/zinc/02/25/66/571022566.db2.gz ANWCGYXCMKLMED-JOCHJYFZSA-N 1 2 384.524 2.155 50 0 GEAALO C[N@@H+](CC(=O)N1CCC[C@@]2(CCC(=O)N(CC3CC3)C2)C1)Cc1cccnc1 ZINC000091646018 571022569 /nfs/dbraw/zinc/02/25/69/571022569.db2.gz ANWCGYXCMKLMED-JOCHJYFZSA-N 1 2 384.524 2.155 50 0 GEAALO CCC(=O)N1CCc2[nH]c[nH+]c2C12CCN(C(=O)c1ccc(OC)cc1)CC2 ZINC000091656458 571023645 /nfs/dbraw/zinc/02/36/45/571023645.db2.gz MQXZGJLVVPXPHT-UHFFFAOYSA-N 1 2 382.464 2.345 50 0 GEAALO CSCCC(=O)N1CCC2(CCC(=O)N(CCCn3cc[nH+]c3)C2)CC1 ZINC000091663680 571024253 /nfs/dbraw/zinc/02/42/53/571024253.db2.gz PRLJJNGFGBVPLL-UHFFFAOYSA-N 1 2 378.542 2.258 50 0 GEAALO O=C(Cn1cc[nH+]c1)N1CCC2(CC(=O)N(C/C=C/c3ccccc3)C2)CC1 ZINC000091664709 571024766 /nfs/dbraw/zinc/02/47/66/571024766.db2.gz RPLIECZLSGPYLQ-QPJJXVBHSA-N 1 2 378.476 2.438 50 0 GEAALO C[C@H](C(=O)N1CCC2(CCC(=O)N(Cc3ccccn3)C2)CC1)n1cc[nH+]c1 ZINC000091973746 571038451 /nfs/dbraw/zinc/03/84/51/571038451.db2.gz FPGAESLJXSEYME-QGZVFWFLSA-N 1 2 381.480 2.271 50 0 GEAALO Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)c2cnn3c2nc(C)cc3C)cc1 ZINC000032424074 571039716 /nfs/dbraw/zinc/03/97/16/571039716.db2.gz HWYCYTKQZKOYMV-HXUWFJFHSA-N 1 2 393.491 2.458 50 0 GEAALO O=C(CCCn1cc[nH+]c1)N1CCC2(CCC(=O)N(Cc3cccnc3)C2)CC1 ZINC000092028789 571042095 /nfs/dbraw/zinc/04/20/95/571042095.db2.gz MBUZHAISFDOGTA-UHFFFAOYSA-N 1 2 395.507 2.490 50 0 GEAALO CC[C@H](C)NC(=O)N1CCC2(CCC(=O)N(CCCn3cc[nH+]c3)C2)CC1 ZINC000092077613 571043770 /nfs/dbraw/zinc/04/37/70/571043770.db2.gz JBORAYVIFSHPPD-KRWDZBQOSA-N 1 2 375.517 2.486 50 0 GEAALO Cn1c(Cn2cc[nH+]c2)nnc1[C@@H]1CCCN(C(=O)Cc2ccccc2F)C1 ZINC000095375883 571064301 /nfs/dbraw/zinc/06/43/01/571064301.db2.gz PBBKYIINYZAJDL-MRXNPFEDSA-N 1 2 382.443 2.148 50 0 GEAALO CCC(=O)N1CCc2[nH]c[nH+]c2C12CCN(C(=O)c1ccc(C)c(O)c1)CC2 ZINC000095523308 571088792 /nfs/dbraw/zinc/08/87/92/571088792.db2.gz SZCOASVZVRXYQO-UHFFFAOYSA-N 1 2 382.464 2.350 50 0 GEAALO O=S(=O)(Nc1cc[nH+]cc1)c1cccc(S(=O)(=O)NC2CCCC2)c1 ZINC000097165294 643094544 /nfs/dbraw/zinc/09/45/44/643094544.db2.gz ZMBUCBUPGFJXTD-UHFFFAOYSA-N 1 2 381.479 2.103 50 0 GEAALO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccc(CS(C)(=O)=O)o1 ZINC000241719838 231039554 /nfs/dbraw/zinc/03/95/54/231039554.db2.gz QQAXJQJSDKUCMC-WMLDXEAASA-N 1 2 376.478 2.075 50 0 GEAALO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccc(CS(C)(=O)=O)o1 ZINC000241719838 231039557 /nfs/dbraw/zinc/03/95/57/231039557.db2.gz QQAXJQJSDKUCMC-WMLDXEAASA-N 1 2 376.478 2.075 50 0 GEAALO CNS(=O)(=O)NC1CC[NH+](Cc2ccc(Cl)cc2Br)CC1 ZINC000225414030 530021314 /nfs/dbraw/zinc/02/13/14/530021314.db2.gz QDCTZYKBGJTEBW-UHFFFAOYSA-N 1 2 396.738 2.121 50 0 GEAALO CC1=C(C(N)=O)[C@@H](c2ccc(Cl)c(Cl)c2)N2NC(CCCO)=[NH+]C2=N1 ZINC000004294230 531514195 /nfs/dbraw/zinc/51/41/95/531514195.db2.gz RDYPTRUHVQLODP-CQSZACIVSA-N 1 2 382.251 2.155 50 0 GEAALO C[C@H](C[NH+]1CCOCC1)OC(=O)c1ccccc1I ZINC000020058141 531579867 /nfs/dbraw/zinc/57/98/67/531579867.db2.gz PSXNZDXGTJSVTM-LLVKDONJSA-N 1 2 375.206 2.169 50 0 GEAALO CCOc1cc(Cl)c(S(=O)(=O)NCCC[NH+]2CCOCC2)cc1Cl ZINC000019891014 531579990 /nfs/dbraw/zinc/57/99/90/531579990.db2.gz GBZKQZZTZXLOFG-UHFFFAOYSA-N 1 2 397.324 2.393 50 0 GEAALO CC1=C(C(N)=O)[C@@H](c2cccc(Cl)c2Cl)N2NC(CCCO)=[NH+]C2=N1 ZINC000001795285 212257438 /nfs/dbraw/zinc/25/74/38/212257438.db2.gz ASINVGBPCCWTET-CQSZACIVSA-N 1 2 382.251 2.155 50 0 GEAALO COCCn1c(-c2cccc(C)c2)nn(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1=S ZINC000007814282 221013551 /nfs/dbraw/zinc/01/35/51/221013551.db2.gz AZCUZWUKSYSUPM-INIZCTEOSA-N 1 2 389.525 2.191 50 0 GEAALO COCCn1c(-c2cccc(C)c2)nn(C[N@H+]2CCC[C@H](C(N)=O)C2)c1=S ZINC000007814282 221013555 /nfs/dbraw/zinc/01/35/55/221013555.db2.gz AZCUZWUKSYSUPM-INIZCTEOSA-N 1 2 389.525 2.191 50 0 GEAALO C[C@H](NC(=O)CSc1nnc(C[NH+]2CCCC2)o1)c1ccc2c(c1)OCO2 ZINC000008231150 221031428 /nfs/dbraw/zinc/03/14/28/221031428.db2.gz VSETZXJDOXOPLS-LBPRGKRZSA-N 1 2 390.465 2.364 50 0 GEAALO CCOC(=O)c1c(NC(=O)C[N@H+](CC(N)=O)C(C)C)sc2c1CC[C@H](C)C2 ZINC000008532743 221043784 /nfs/dbraw/zinc/04/37/84/221043784.db2.gz YPCCCZVMOQIFON-LBPRGKRZSA-N 1 2 395.525 2.184 50 0 GEAALO CCOC(=O)c1c(NC(=O)C[N@@H+](CC(N)=O)C(C)C)sc2c1CC[C@H](C)C2 ZINC000008532743 221043787 /nfs/dbraw/zinc/04/37/87/221043787.db2.gz YPCCCZVMOQIFON-LBPRGKRZSA-N 1 2 395.525 2.184 50 0 GEAALO COc1ccc(C2=NC3(CC[NH+](CC(=O)Nc4ccccc4)CC3)NC2=O)cc1 ZINC000009526772 221084231 /nfs/dbraw/zinc/08/42/31/221084231.db2.gz NDXQGCHNUUCDQN-UHFFFAOYSA-N 1 2 392.459 2.045 50 0 GEAALO COc1ccc(C[N@@H+]2CCNC(=O)[C@H]2CC(=O)N(C)C(C2CC2)C2CC2)cc1C ZINC000011817623 221128545 /nfs/dbraw/zinc/12/85/45/221128545.db2.gz LSCIAYGPRNXLCZ-LJQANCHMSA-N 1 2 399.535 2.341 50 0 GEAALO COc1ccc(C[N@H+]2CCNC(=O)[C@H]2CC(=O)N(C)C(C2CC2)C2CC2)cc1C ZINC000011817623 221128548 /nfs/dbraw/zinc/12/85/48/221128548.db2.gz LSCIAYGPRNXLCZ-LJQANCHMSA-N 1 2 399.535 2.341 50 0 GEAALO Cc1cc2oc(=O)cc(C[NH+]3CCC(NS(C)(=O)=O)CC3)c2cc1Cl ZINC000011717455 221123312 /nfs/dbraw/zinc/12/33/12/221123312.db2.gz ZSLXPJFRZINNIY-UHFFFAOYSA-N 1 2 384.885 2.268 50 0 GEAALO COc1ccccc1C[N@@H+]1CCNC(=O)[C@H]1CC(=O)NCc1cccc(C)c1 ZINC000012074141 221146288 /nfs/dbraw/zinc/14/62/88/221146288.db2.gz YIQHQVLMHVEOFF-LJQANCHMSA-N 1 2 381.476 2.011 50 0 GEAALO COc1ccccc1C[N@H+]1CCNC(=O)[C@H]1CC(=O)NCc1cccc(C)c1 ZINC000012074141 221146292 /nfs/dbraw/zinc/14/62/92/221146292.db2.gz YIQHQVLMHVEOFF-LJQANCHMSA-N 1 2 381.476 2.011 50 0 GEAALO C[C@H](c1ccccn1)N(C)C(=O)CCCn1nnnc1C[NH+]1CCC(C)CC1 ZINC000012436065 221193063 /nfs/dbraw/zinc/19/30/63/221193063.db2.gz CBZDRBPTXHZUGM-QGZVFWFLSA-N 1 2 385.516 2.300 50 0 GEAALO Cn1cc[nH+]c1[C@H](NC(=O)Cn1cnc2ccccc2c1=O)c1cccc(F)c1 ZINC000012507596 221200437 /nfs/dbraw/zinc/20/04/37/221200437.db2.gz SPGWECCKIUVYHK-LJQANCHMSA-N 1 2 391.406 2.175 50 0 GEAALO Cn1ncc(Cl)c1C(=O)Nc1nc2ccccc2n1CC[NH+]1CCOCC1 ZINC000012937345 221249016 /nfs/dbraw/zinc/24/90/16/221249016.db2.gz KKSPAGKJFZTOQV-UHFFFAOYSA-N 1 2 388.859 2.008 50 0 GEAALO O=C(NC[C@H](c1cccs1)[NH+]1CCOCC1)c1cc2ccccc2[nH]c1=O ZINC000012938211 221249081 /nfs/dbraw/zinc/24/90/81/221249081.db2.gz RKNBUAMDTIPCGH-QGZVFWFLSA-N 1 2 383.473 2.393 50 0 GEAALO C[C@H](C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)n1c2ccccc2oc1=O ZINC000012987504 221253115 /nfs/dbraw/zinc/25/31/15/221253115.db2.gz IEHLJVIAMVOWHO-AEFFLSMTSA-N 1 2 395.459 2.173 50 0 GEAALO C[C@H](C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)n1c2ccccc2oc1=O ZINC000012987504 221253118 /nfs/dbraw/zinc/25/31/18/221253118.db2.gz IEHLJVIAMVOWHO-AEFFLSMTSA-N 1 2 395.459 2.173 50 0 GEAALO CC[NH+]1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)NC3CCCC3)c2)CC1 ZINC000012909582 221245088 /nfs/dbraw/zinc/24/50/88/221245088.db2.gz SLOIQSSTHXEHCN-UHFFFAOYSA-N 1 2 399.944 2.339 50 0 GEAALO COc1ccccc1N1CC[NH+](CC(=O)Nc2cccc3nsnc32)CC1 ZINC000013324534 221264968 /nfs/dbraw/zinc/26/49/68/221264968.db2.gz DXJNIQKPVRRANN-UHFFFAOYSA-N 1 2 383.477 2.461 50 0 GEAALO COCCCN1C[NH+]=C2N[C@@H](c3ccccn3)n3c4ccccc4nc3N2C1 ZINC000013549742 221271735 /nfs/dbraw/zinc/27/17/35/221271735.db2.gz ODWVRGVCWSGMNO-GOSISDBHSA-N 1 2 377.452 2.011 50 0 GEAALO CC(=O)CSc1nn2c(nc3c(c2=O)C[N@H+](Cc2ccccc2)CC3)s1 ZINC000015414226 221336414 /nfs/dbraw/zinc/33/64/14/221336414.db2.gz PXQYJYREDLVSCF-UHFFFAOYSA-N 1 2 386.502 2.390 50 0 GEAALO CC(=O)CSc1nn2c(nc3c(c2=O)C[N@@H+](Cc2ccccc2)CC3)s1 ZINC000015414226 221336416 /nfs/dbraw/zinc/33/64/16/221336416.db2.gz PXQYJYREDLVSCF-UHFFFAOYSA-N 1 2 386.502 2.390 50 0 GEAALO O=C(N[C@@H]1COc2ccccc2C1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000015787218 221346138 /nfs/dbraw/zinc/34/61/38/221346138.db2.gz VXDVVIYINWLZHA-SFHVURJKSA-N 1 2 395.459 2.246 50 0 GEAALO Cc1ccc(C(=O)N(C)Cc2[nH+]ccn2C)cc1S(=O)(=O)N1CCCCC1 ZINC000017369511 221383384 /nfs/dbraw/zinc/38/33/84/221383384.db2.gz RQFARDXYLQMNQD-UHFFFAOYSA-N 1 2 390.509 2.175 50 0 GEAALO O=C1C[C@H]([NH+]2CCN(c3ccccc3O)CC2)C(=O)N1c1ccc(Cl)cc1 ZINC000018142809 221388838 /nfs/dbraw/zinc/38/88/38/221388838.db2.gz VCYACVNCGPMGMJ-KRWDZBQOSA-N 1 2 385.851 2.500 50 0 GEAALO Cc1ccccc1[C@H]1CC(=O)c2c(C)nc(N3CC[NH+](CCO)CC3)nc2C1 ZINC000020064269 221470762 /nfs/dbraw/zinc/47/07/62/221470762.db2.gz HPPMHKQQIGBQEL-QGZVFWFLSA-N 1 2 380.492 2.120 50 0 GEAALO O=C(NCc1cc[nH+]c(N2CCOCC2)c1)Nc1ccc(N2CCCC2)nc1 ZINC000048083469 132429580 /nfs/dbraw/zinc/42/95/80/132429580.db2.gz LHONXXFAOJDPFP-UHFFFAOYSA-N 1 2 382.468 2.235 50 0 GEAALO CC(=O)c1ccc(NC(=O)[C@H](C)NC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000061720411 136156139 /nfs/dbraw/zinc/15/61/39/136156139.db2.gz KQYNCCXCEIKZLA-HNNXBMFYSA-N 1 2 395.463 2.143 50 0 GEAALO O=C(Nc1nc(C(=O)N2CCN(c3cccc[nH+]3)CC2)co1)c1cccs1 ZINC000062023076 136156409 /nfs/dbraw/zinc/15/64/09/136156409.db2.gz LKOWVQOXNBUBNZ-UHFFFAOYSA-N 1 2 383.433 2.346 50 0 GEAALO Cc1cc(C)n(-c2cc[nH+]c(N3CCC(C(=O)NCc4cccnc4)CC3)n2)n1 ZINC000065240368 136161023 /nfs/dbraw/zinc/16/10/23/136161023.db2.gz AUYWHVGYNJWNQJ-UHFFFAOYSA-N 1 2 391.479 2.207 50 0 GEAALO Cc1nc(-n2cccn2)cc(N2CCN(C(=O)Nc3ccc(F)cc3)CC2)[nH+]1 ZINC000065365195 136163750 /nfs/dbraw/zinc/16/37/50/136163750.db2.gz GTOGNRAFVUJVHZ-UHFFFAOYSA-N 1 2 381.415 2.464 50 0 GEAALO O=C1C[C@H](c2ccc[nH+]c2N2CCOCC2)c2c(n[nH]c2-c2cccnc2)N1 ZINC000065386202 136163778 /nfs/dbraw/zinc/16/37/78/136163778.db2.gz BJPYOOHREMGSLJ-OAHLLOKOSA-N 1 2 376.420 2.177 50 0 GEAALO O=C(CN1CC[NH+](C[C@H](O)c2ccc(F)cc2)CC1)N1CCCc2ccccc21 ZINC000066884599 136164455 /nfs/dbraw/zinc/16/44/55/136164455.db2.gz QBDHUUYOQHAXBY-QFIPXVFZSA-N 1 2 397.494 2.456 50 0 GEAALO Cc1ccccc1N1CCN(C(=O)[C@H](c2cccnc2)[NH+]2CCCC2)CC1=O ZINC000082134281 136174052 /nfs/dbraw/zinc/17/40/52/136174052.db2.gz GNVCPHQEFQCURP-NRFANRHFSA-N 1 2 378.476 2.402 50 0 GEAALO O=S(=O)(c1ccc2c(c1)-c1oncc1CO2)N1CCN(c2cccc[nH+]2)CC1 ZINC000096915597 136187755 /nfs/dbraw/zinc/18/77/55/136187755.db2.gz WVEDQMRPUHTQRL-UHFFFAOYSA-N 1 2 398.444 2.140 50 0 GEAALO O=C(CCn1c(=O)c2ccccc2[nH]c1=S)N1CCN(c2cccc[nH+]2)CC1 ZINC000003043672 136193480 /nfs/dbraw/zinc/19/34/80/136193480.db2.gz MHXIXXGXLDKQMN-UHFFFAOYSA-N 1 2 395.488 2.193 50 0 GEAALO O=S(=O)(CCc1ccccc1)NCC[NH+]1CCN(c2ccccc2F)CC1 ZINC000011900922 136199930 /nfs/dbraw/zinc/19/99/30/136199930.db2.gz ZCUJBAOGNSDNLO-UHFFFAOYSA-N 1 2 391.512 2.110 50 0 GEAALO CC1CCC2(CC1)NC(=O)N(CN1CC[NH+](Cc3ccsc3)CC1)C2=O ZINC000022777966 221569783 /nfs/dbraw/zinc/56/97/83/221569783.db2.gz UCNTVUCYHJLKEJ-UHFFFAOYSA-N 1 2 376.526 2.324 50 0 GEAALO C[C@@H]1CN(c2ccc(CNC(=O)Cc3cn4ccsc4n3)c[nH+]2)C[C@H](C)O1 ZINC000032930457 221753813 /nfs/dbraw/zinc/75/38/13/221753813.db2.gz POBUNXBNYYBRHF-OKILXGFUSA-N 1 2 385.493 2.263 50 0 GEAALO CCc1ccc([C@H]2NC(=O)N=C(C[NH+]3CCSCC3)C2C(=O)OC)cc1 ZINC000057415192 222031930 /nfs/dbraw/zinc/03/19/30/222031930.db2.gz PNBOLHDALQFDDS-QGZVFWFLSA-N 1 2 375.494 2.079 50 0 GEAALO CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(Oc3cc[nH+]cc3)cc2)C1 ZINC000050490876 222002787 /nfs/dbraw/zinc/00/27/87/222002787.db2.gz ZCHXTIQJWHZFJI-CQSZACIVSA-N 1 2 375.450 2.484 50 0 GEAALO COC(=O)[C@]1(C)C[C@H](C(=O)NC(C)(C)CO)[C@H](c2ccccc2Cl)[N@@H+]1C ZINC000055386013 222019680 /nfs/dbraw/zinc/01/96/80/222019680.db2.gz NPFYBWKERZVIIV-RFUYNDQBSA-N 1 2 382.888 2.152 50 0 GEAALO COC(=O)[C@]1(C)C[C@H](C(=O)NC(C)(C)CO)[C@H](c2ccccc2Cl)[N@H+]1C ZINC000055386013 222019682 /nfs/dbraw/zinc/01/96/82/222019682.db2.gz NPFYBWKERZVIIV-RFUYNDQBSA-N 1 2 382.888 2.152 50 0 GEAALO C[NH+]1CCN(S(=O)(=O)c2ccc(NCc3cc4ccccc4[nH]3)nc2)CC1 ZINC000058159255 222040490 /nfs/dbraw/zinc/04/04/90/222040490.db2.gz YGECIFJQFCLYMW-UHFFFAOYSA-N 1 2 385.493 2.111 50 0 GEAALO O=C(C[N@H+]1CCCN(CC(F)(F)F)CC1)Nc1ccc2c(c1)OCCCO2 ZINC000058577402 222054569 /nfs/dbraw/zinc/05/45/69/222054569.db2.gz ZLIXDXVQLDEWRH-UHFFFAOYSA-N 1 2 387.402 2.356 50 0 GEAALO O=C(C[N@@H+]1CCCN(CC(F)(F)F)CC1)Nc1ccc2c(c1)OCCCO2 ZINC000058577402 222054574 /nfs/dbraw/zinc/05/45/74/222054574.db2.gz ZLIXDXVQLDEWRH-UHFFFAOYSA-N 1 2 387.402 2.356 50 0 GEAALO Cc1nnc(NC(=O)[C@H]2CCC[N@H+](Cc3nc(-c4cccnc4)no3)C2)s1 ZINC000062022907 222066255 /nfs/dbraw/zinc/06/62/55/222066255.db2.gz CGKUQWZOXGXVCZ-ZDUSSCGKSA-N 1 2 385.453 2.142 50 0 GEAALO Cc1nnc(NC(=O)[C@H]2CCC[N@@H+](Cc3nc(-c4cccnc4)no3)C2)s1 ZINC000062022907 222066256 /nfs/dbraw/zinc/06/62/56/222066256.db2.gz CGKUQWZOXGXVCZ-ZDUSSCGKSA-N 1 2 385.453 2.142 50 0 GEAALO COc1ccc(S(=O)(=O)N2CC[N@H+](C)[C@@H](c3ccccc3)C2)cc1OC ZINC000062185329 222066475 /nfs/dbraw/zinc/06/64/75/222066475.db2.gz VNLJCZUNROVTQH-QGZVFWFLSA-N 1 2 376.478 2.381 50 0 GEAALO COc1ccc(S(=O)(=O)N2CC[N@@H+](C)[C@@H](c3ccccc3)C2)cc1OC ZINC000062185329 222066479 /nfs/dbraw/zinc/06/64/79/222066479.db2.gz VNLJCZUNROVTQH-QGZVFWFLSA-N 1 2 376.478 2.381 50 0 GEAALO O=C(C[N@H+]1CCC[C@H](O)C1)Nc1ccnn1Cc1ccccc1Br ZINC000063481943 222067979 /nfs/dbraw/zinc/06/79/79/222067979.db2.gz PDHAKFNNDMTMIV-AWEZNQCLSA-N 1 2 393.285 2.089 50 0 GEAALO O=C(C[N@@H+]1CCC[C@H](O)C1)Nc1ccnn1Cc1ccccc1Br ZINC000063481943 222067982 /nfs/dbraw/zinc/06/79/82/222067982.db2.gz PDHAKFNNDMTMIV-AWEZNQCLSA-N 1 2 393.285 2.089 50 0 GEAALO COc1ccccc1CNC(=O)c1cn(-c2cc(N3CCCC3)[nH+]cn2)cn1 ZINC000065239873 222114601 /nfs/dbraw/zinc/11/46/01/222114601.db2.gz FQLRWZDQFITBSZ-UHFFFAOYSA-N 1 2 378.436 2.201 50 0 GEAALO CC[NH+]1CCN(S(=O)(=O)c2cc(-c3nnc(C4CCCC4)o3)co2)CC1 ZINC000065246687 222115198 /nfs/dbraw/zinc/11/51/98/222115198.db2.gz OVZAMFULAYHGHJ-UHFFFAOYSA-N 1 2 380.470 2.313 50 0 GEAALO Cc1cccc(CNC(=O)c2ccc3c(c2)nnn3CC[NH+]2CCOCC2)c1 ZINC000065255177 222117580 /nfs/dbraw/zinc/11/75/80/222117580.db2.gz PKQRIBPADFASHV-UHFFFAOYSA-N 1 2 379.464 2.002 50 0 GEAALO CC(C)Cc1noc([C@H]2CCCN(C(=O)c3cc4n(n3)CCC[N@H+](C)C4)C2)n1 ZINC000065424921 222129782 /nfs/dbraw/zinc/12/97/82/222129782.db2.gz GTTNUADSMQNPSE-HNNXBMFYSA-N 1 2 386.500 2.320 50 0 GEAALO CC(C)Cc1noc([C@H]2CCCN(C(=O)c3cc4n(n3)CCC[N@@H+](C)C4)C2)n1 ZINC000065424921 222129784 /nfs/dbraw/zinc/12/97/84/222129784.db2.gz GTTNUADSMQNPSE-HNNXBMFYSA-N 1 2 386.500 2.320 50 0 GEAALO Cc1noc(C)c1C[NH+]1CCN(C(=O)Cc2ccc(-n3cccn3)cc2)CC1 ZINC000065493328 222131372 /nfs/dbraw/zinc/13/13/72/222131372.db2.gz JADYUWSDAUMIBZ-UHFFFAOYSA-N 1 2 379.464 2.364 50 0 GEAALO COc1ccc(C(=O)CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1OC ZINC000067206179 222141164 /nfs/dbraw/zinc/14/11/64/222141164.db2.gz LJTXUESEMZYRLD-UHFFFAOYSA-N 1 2 398.459 2.433 50 0 GEAALO CCOC(=O)C1=C(C[NH+]2CCSCC2)NC(=O)N[C@@H]1c1ccc(F)c(F)c1 ZINC000067285988 222143044 /nfs/dbraw/zinc/14/30/44/222143044.db2.gz ARXLXWPKHQUBCY-MRXNPFEDSA-N 1 2 397.447 2.185 50 0 GEAALO C[N@@H+]1C[C@@H](NC(=O)c2cccc(F)c2)C[C@H]1C(=O)NCCCc1ccccc1 ZINC000067642250 222152342 /nfs/dbraw/zinc/15/23/42/222152342.db2.gz TVZMOYPCIICGHW-PMACEKPBSA-N 1 2 383.467 2.377 50 0 GEAALO C[N@H+]1C[C@@H](NC(=O)c2cccc(F)c2)C[C@H]1C(=O)NCCCc1ccccc1 ZINC000067642250 222152347 /nfs/dbraw/zinc/15/23/47/222152347.db2.gz TVZMOYPCIICGHW-PMACEKPBSA-N 1 2 383.467 2.377 50 0 GEAALO CC(=O)Nc1ccccc1NC(=O)CN1CC[NH+](Cc2ncccc2C)CC1 ZINC000067758555 222157797 /nfs/dbraw/zinc/15/77/97/222157797.db2.gz YSQDURAPGDJLFI-UHFFFAOYSA-N 1 2 381.480 2.105 50 0 GEAALO O=C(C[N@H+]1CCC[C@H](O)C1)N1CCC(c2[nH]ncc2-c2cccc(F)c2)CC1 ZINC000067955737 222169472 /nfs/dbraw/zinc/16/94/72/222169472.db2.gz DZWOHJPVXHWQDJ-SFHVURJKSA-N 1 2 386.471 2.379 50 0 GEAALO O=C(C[N@@H+]1CCC[C@H](O)C1)N1CCC(c2[nH]ncc2-c2cccc(F)c2)CC1 ZINC000067955737 222169476 /nfs/dbraw/zinc/16/94/76/222169476.db2.gz DZWOHJPVXHWQDJ-SFHVURJKSA-N 1 2 386.471 2.379 50 0 GEAALO CNS(=O)(=O)c1ccc(C[N@@H+]2CCO[C@@H](Cc3cccc(F)c3)C2)cc1 ZINC000071479566 222185948 /nfs/dbraw/zinc/18/59/48/222185948.db2.gz KIZGQGCDEZFFDX-SFHVURJKSA-N 1 2 378.469 2.177 50 0 GEAALO CNS(=O)(=O)c1ccc(C[N@H+]2CCO[C@@H](Cc3cccc(F)c3)C2)cc1 ZINC000071479566 222185950 /nfs/dbraw/zinc/18/59/50/222185950.db2.gz KIZGQGCDEZFFDX-SFHVURJKSA-N 1 2 378.469 2.177 50 0 GEAALO CNC(=O)[C@H]1CCC[N@@H+]1Cc1c(C(=O)N2CCCCCC2)nc2cc(C)ccn21 ZINC000071730642 222187969 /nfs/dbraw/zinc/18/79/69/222187969.db2.gz LSGFSIPDIWRRDC-QGZVFWFLSA-N 1 2 397.523 2.369 50 0 GEAALO CNC(=O)[C@H]1CCC[N@H+]1Cc1c(C(=O)N2CCCCCC2)nc2cc(C)ccn21 ZINC000071730642 222187970 /nfs/dbraw/zinc/18/79/70/222187970.db2.gz LSGFSIPDIWRRDC-QGZVFWFLSA-N 1 2 397.523 2.369 50 0 GEAALO CN(CCc1ccccn1)c1[nH+]cccc1CNC(=O)C(=O)c1cccnc1 ZINC000071745488 222188367 /nfs/dbraw/zinc/18/83/67/222188367.db2.gz TYCSTUSWPGOCPT-UHFFFAOYSA-N 1 2 375.432 2.050 50 0 GEAALO CC(=O)N1CCc2c(nc(-c3ccccn3)nc2NCCCn2cc[nH+]c2)C1 ZINC000071764119 222196507 /nfs/dbraw/zinc/19/65/07/222196507.db2.gz CQOWROCYWIWIRP-UHFFFAOYSA-N 1 2 377.452 2.142 50 0 GEAALO CC(C)=CC[N@@H+]1CCNC(=O)[C@H]1CC(=O)N(C)Cc1cccc2cccnc21 ZINC000072156068 222213207 /nfs/dbraw/zinc/21/32/07/222213207.db2.gz KXMFDTFKJZISSC-LJQANCHMSA-N 1 2 380.492 2.350 50 0 GEAALO CC(C)=CC[N@H+]1CCNC(=O)[C@H]1CC(=O)N(C)Cc1cccc2cccnc21 ZINC000072156068 222213209 /nfs/dbraw/zinc/21/32/09/222213209.db2.gz KXMFDTFKJZISSC-LJQANCHMSA-N 1 2 380.492 2.350 50 0 GEAALO O=C1NCC2(CC[NH+](Cc3cc4n(n3)CCN(Cc3cccs3)C4)CC2)O1 ZINC000072169332 222215652 /nfs/dbraw/zinc/21/56/52/222215652.db2.gz IIRLJYZTWUGTTK-UHFFFAOYSA-N 1 2 387.509 2.035 50 0 GEAALO CC(C)(C)c1noc(-c2ccccc2C(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)n1 ZINC000072306501 222221575 /nfs/dbraw/zinc/22/15/75/222221575.db2.gz RDLJTSZXHMLQJQ-UHFFFAOYSA-N 1 2 399.495 2.056 50 0 GEAALO COc1ccc(C[N@@H+]2CCN(C(=O)c3cccc(O)c3)C[C@H]2CCO)cc1C ZINC000072447967 222263054 /nfs/dbraw/zinc/26/30/54/222263054.db2.gz FYRYUVBHEWWFCB-LJQANCHMSA-N 1 2 384.476 2.418 50 0 GEAALO COc1ccc(C[N@H+]2CCN(C(=O)c3cccc(O)c3)C[C@H]2CCO)cc1C ZINC000072447967 222263056 /nfs/dbraw/zinc/26/30/56/222263056.db2.gz FYRYUVBHEWWFCB-LJQANCHMSA-N 1 2 384.476 2.418 50 0 GEAALO CCOc1ccc(C(=O)N2CCC[N@@H+]([C@@H]3CCN(CC4CC4)C3=O)CC2)cc1 ZINC000085824380 222325397 /nfs/dbraw/zinc/32/53/97/222325397.db2.gz BBSIHQFSZRDIEC-HXUWFJFHSA-N 1 2 385.508 2.244 50 0 GEAALO CCOc1ccc(C(=O)N2CCC[N@H+]([C@@H]3CCN(CC4CC4)C3=O)CC2)cc1 ZINC000085824380 222325400 /nfs/dbraw/zinc/32/54/00/222325400.db2.gz BBSIHQFSZRDIEC-HXUWFJFHSA-N 1 2 385.508 2.244 50 0 GEAALO CCOc1ccc(N2C(=O)C[C@H]([NH2+]Cc3nncn3-c3ccccc3)C2=O)cc1 ZINC000095482826 222332467 /nfs/dbraw/zinc/33/24/67/222332467.db2.gz GWAPWXVERSSKSF-SFHVURJKSA-N 1 2 391.431 2.088 50 0 GEAALO O=C(COc1ccccc1)N1CCC2(CC1)c1[nH+]c[nH]c1CCN2C(=O)C1CC1 ZINC000095502151 222336734 /nfs/dbraw/zinc/33/67/34/222336734.db2.gz VXZMNMROTSQOBX-UHFFFAOYSA-N 1 2 394.475 2.101 50 0 GEAALO NC(=O)Cn1cc[nH+]c1[C@H]1CCCN(C(=O)CCc2c[nH]c3ccccc23)C1 ZINC000095520666 222345421 /nfs/dbraw/zinc/34/54/21/222345421.db2.gz GHMXTXSPVWOISF-INIZCTEOSA-N 1 2 379.464 2.189 50 0 GEAALO Cc1c(CC(=O)NCc2[nH+]ccn2C)c2c(n1C[C@H]1CCCO1)CCCC2=O ZINC000095511482 222341547 /nfs/dbraw/zinc/34/15/47/222341547.db2.gz XVLAUAWBMSPMIZ-OAHLLOKOSA-N 1 2 384.480 2.087 50 0 GEAALO COc1ccc([C@@H]2C[N@H+](Cc3nc(CSC)no3)C[C@H]2NC(C)=O)cc1 ZINC000095512347 222341945 /nfs/dbraw/zinc/34/19/45/222341945.db2.gz CRJPSIRQYYXDKC-JKSUJKDBSA-N 1 2 376.482 2.045 50 0 GEAALO COc1ccc([C@@H]2C[N@@H+](Cc3nc(CSC)no3)C[C@H]2NC(C)=O)cc1 ZINC000095512347 222341950 /nfs/dbraw/zinc/34/19/50/222341950.db2.gz CRJPSIRQYYXDKC-JKSUJKDBSA-N 1 2 376.482 2.045 50 0 GEAALO C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+](C)Cc1cc(Br)cn1C ZINC000079102652 222303020 /nfs/dbraw/zinc/30/30/20/222303020.db2.gz MIXMRTPZHJCOGI-NSHDSACASA-N 1 2 393.285 2.346 50 0 GEAALO C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@@H+](C)Cc1cc(Br)cn1C ZINC000079102652 222303023 /nfs/dbraw/zinc/30/30/23/222303023.db2.gz MIXMRTPZHJCOGI-NSHDSACASA-N 1 2 393.285 2.346 50 0 GEAALO O=C(NC[C@H]1CCC[N@H+](Cc2nc3ncccn3n2)C1)c1cc2ccccc2[nH]1 ZINC000095516516 222344473 /nfs/dbraw/zinc/34/44/73/222344473.db2.gz XTJLYWJYTVCHEJ-OAHLLOKOSA-N 1 2 389.463 2.248 50 0 GEAALO O=C(NC[C@H]1CCC[N@@H+](Cc2nc3ncccn3n2)C1)c1cc2ccccc2[nH]1 ZINC000095516516 222344476 /nfs/dbraw/zinc/34/44/76/222344476.db2.gz XTJLYWJYTVCHEJ-OAHLLOKOSA-N 1 2 389.463 2.248 50 0 GEAALO Cn1cc(C(=O)N2CCC[C@@H](c3[nH+]ccn3Cc3ccccn3)C2)ccc1=O ZINC000095525120 222348253 /nfs/dbraw/zinc/34/82/53/222348253.db2.gz CANVYOLUKDRKRX-MRXNPFEDSA-N 1 2 377.448 2.045 50 0 GEAALO Cn1cc(CCC(=O)N2CCC[C@H](c3[nH+]ccn3Cc3ccccn3)C2)cn1 ZINC000095524107 222349485 /nfs/dbraw/zinc/34/94/85/222349485.db2.gz CYIKKRLZNIGZOK-SFHVURJKSA-N 1 2 378.480 2.399 50 0 GEAALO CC(C)c1cc(C(=O)N2CCC3(CC2)c2[nH+]c[nH]c2CCN3C(=O)C2CC2)on1 ZINC000095530394 222352049 /nfs/dbraw/zinc/35/20/49/222352049.db2.gz OKZOHUBSJJZCPV-UHFFFAOYSA-N 1 2 397.479 2.447 50 0 GEAALO CCC(=O)N1CCc2[nH]c[nH+]c2C12CCN(C(=O)COc1ccccc1)CC2 ZINC000095529573 222352770 /nfs/dbraw/zinc/35/27/70/222352770.db2.gz FWZLLRJRGXFOBH-UHFFFAOYSA-N 1 2 382.464 2.101 50 0 GEAALO Cc1ccc(C(=O)NC2CC[NH+](CN3C[C@@H](c4ccccn4)CC3=O)CC2)o1 ZINC000095959179 222363529 /nfs/dbraw/zinc/36/35/29/222363529.db2.gz AJYUYIFMMSXRLF-INIZCTEOSA-N 1 2 382.464 2.151 50 0 GEAALO O=C(Cc1cccnc1)N1CCC(c2nnc(Cn3cc[nH+]c3)n2C2CC2)CC1 ZINC000096151799 222390824 /nfs/dbraw/zinc/39/08/24/222390824.db2.gz MANVUVPXIYESMJ-UHFFFAOYSA-N 1 2 391.479 2.202 50 0 GEAALO CCn1c(C[NH+](C)C)nnc1C1CCN(C(=O)c2cccc(OC)c2O)CC1 ZINC000096166435 222394813 /nfs/dbraw/zinc/39/48/13/222394813.db2.gz XLWKASLSHXWCRB-UHFFFAOYSA-N 1 2 387.484 2.094 50 0 GEAALO CCNC(=O)c1ccc(NC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)c(C)c1 ZINC000096180738 222397090 /nfs/dbraw/zinc/39/70/90/222397090.db2.gz LZXFXJBPRUZVBJ-SFHVURJKSA-N 1 2 388.512 2.463 50 0 GEAALO O=S(=O)(NCC1([NH+]2CCOCC2)CCCCC1)c1ccc(F)c(F)c1F ZINC000024751189 527211754 /nfs/dbraw/zinc/21/17/54/527211754.db2.gz QTUYTGOLSQXABD-UHFFFAOYSA-N 1 2 392.443 2.417 50 0 GEAALO CC(C)Cc1[nH+]c2ccccc2n1[C@@H](C)C(=O)N1CCN(c2nc[nH]n2)CC1 ZINC000426698489 528666728 /nfs/dbraw/zinc/66/67/28/528666728.db2.gz VKPSGYXMHGNZPZ-HNNXBMFYSA-N 1 2 381.484 2.263 50 0 GEAALO CCCc1[nH+]c2ccccc2n1[C@H](CC)C(=O)N1CCN(c2nc[nH]n2)CC1 ZINC000426475365 528758794 /nfs/dbraw/zinc/75/87/94/528758794.db2.gz FJXQXHDYTFXQHV-MRXNPFEDSA-N 1 2 381.484 2.407 50 0 GEAALO CCCn1ncnc1[C@@H](C)NC(=O)c1ccc(-c2nc(NC)cc(C)[nH+]2)cc1 ZINC000426445652 528903106 /nfs/dbraw/zinc/90/31/06/528903106.db2.gz QUSZNZUTOVCHJX-CQSZACIVSA-N 1 2 379.468 2.408 50 0 GEAALO CCN(Cc1cccc(F)c1)C(=O)C[NH+]1CCN(c2cc(Cl)ncn2)CC1 ZINC000095435054 535785789 /nfs/dbraw/zinc/78/57/89/535785789.db2.gz IWKWPYMGLUWVDY-UHFFFAOYSA-N 1 2 391.878 2.440 50 0 GEAALO CCn1c(Cn2cncn2)nnc1C1CC[NH+](Cc2coc(C(C)C)n2)CC1 ZINC000096132360 570211605 /nfs/dbraw/zinc/21/16/05/570211605.db2.gz HIVJXCKTHRUKDM-UHFFFAOYSA-N 1 2 384.488 2.429 50 0 GEAALO Cc1ccc2oc(C(=O)N3CC[NH+](CCc4ccncc4)CC3)cc(=O)c2c1 ZINC000096305438 570228266 /nfs/dbraw/zinc/22/82/66/570228266.db2.gz XBPUZUGYJCMQAJ-UHFFFAOYSA-N 1 2 377.444 2.497 50 0 GEAALO O=C1C[C@H](c2ccc(Cl)cc2)Cc2nc(N3CC[NH+](CCO)CC3)ncc21 ZINC000019921545 570229541 /nfs/dbraw/zinc/22/95/41/570229541.db2.gz KUAXMMSWTNUMJK-OAHLLOKOSA-N 1 2 386.883 2.157 50 0 GEAALO COc1cc(NC(=O)NCc2cc[nH+]c(N3CCOCC3)c2)ccc1NC(C)=O ZINC000048279575 570231001 /nfs/dbraw/zinc/23/10/01/570231001.db2.gz OBRDREVLEZVCFB-UHFFFAOYSA-N 1 2 399.451 2.207 50 0 GEAALO Cc1ccc(O[C@H](C)C(=O)N2CCC[N@H+](CC(=O)NC(C)(C)C)CC2)cc1 ZINC000048331614 570238278 /nfs/dbraw/zinc/23/82/78/570238278.db2.gz QMYREWQHUKLBTO-QGZVFWFLSA-N 1 2 375.513 2.211 50 0 GEAALO Cc1ccc(O[C@H](C)C(=O)N2CCC[N@@H+](CC(=O)NC(C)(C)C)CC2)cc1 ZINC000048331614 570238281 /nfs/dbraw/zinc/23/82/81/570238281.db2.gz QMYREWQHUKLBTO-QGZVFWFLSA-N 1 2 375.513 2.211 50 0 GEAALO COc1cc(C[N@@H+]2CCN(Cc3nccs3)C[C@@H]2CCO)cc(OC)c1 ZINC000020168761 570245550 /nfs/dbraw/zinc/24/55/50/570245550.db2.gz BZHQXAJZKGUJEL-INIZCTEOSA-N 1 2 377.510 2.229 50 0 GEAALO COc1cc(C[N@H+]2CCN(Cc3nccs3)C[C@@H]2CCO)cc(OC)c1 ZINC000020168761 570245554 /nfs/dbraw/zinc/24/55/54/570245554.db2.gz BZHQXAJZKGUJEL-INIZCTEOSA-N 1 2 377.510 2.229 50 0 GEAALO COc1cccc(C[N@@H+]2CCN(Cc3cccc(C)n3)[C@H](CCO)C2)c1OC ZINC000104411645 570258076 /nfs/dbraw/zinc/25/80/76/570258076.db2.gz QLAJYEBXDJUBQL-HXUWFJFHSA-N 1 2 385.508 2.476 50 0 GEAALO COc1cccc(C[N@H+]2CCN(Cc3cccc(C)n3)[C@H](CCO)C2)c1OC ZINC000104411645 570258078 /nfs/dbraw/zinc/25/80/78/570258078.db2.gz QLAJYEBXDJUBQL-HXUWFJFHSA-N 1 2 385.508 2.476 50 0 GEAALO CC(=O)N(C)CC(=O)Nc1ccc(Nc2cc(-n3cccn3)nc(C)[nH+]2)cc1 ZINC000049372004 570263193 /nfs/dbraw/zinc/26/31/93/570263193.db2.gz SYZLURZOYVCCRO-UHFFFAOYSA-N 1 2 379.424 2.131 50 0 GEAALO CCn1cc(C[NH+]2CCN(C(=O)[C@@H](C)n3cc(Cl)c(C)n3)CC2)c(C)n1 ZINC000020608435 570271554 /nfs/dbraw/zinc/27/15/54/570271554.db2.gz RJMQMQRYIQVZMU-OAHLLOKOSA-N 1 2 378.908 2.275 50 0 GEAALO CC[C@H](NC(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1)c1nc(C)no1 ZINC000584902744 570271972 /nfs/dbraw/zinc/27/19/72/570271972.db2.gz OXMJXYHOQXCJKT-HNNXBMFYSA-N 1 2 387.440 2.085 50 0 GEAALO O=C(Cn1cnc2ccccc2c1=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000020624182 570273086 /nfs/dbraw/zinc/27/30/86/570273086.db2.gz VCLIBHMIEXOEBE-RMKNXTFCSA-N 1 2 388.471 2.254 50 0 GEAALO O=C(c1cc(-n2cnnn2)ccc1Cl)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020715087 570275416 /nfs/dbraw/zinc/27/54/16/570275416.db2.gz QPMBKSQCVFQRII-UHFFFAOYSA-N 1 2 382.855 2.274 50 0 GEAALO C[N@@H+]1CCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)[C@H](c2ccccc2)C1 ZINC000035269423 570278929 /nfs/dbraw/zinc/27/89/29/570278929.db2.gz QOCCHSBNCYNNPE-FQEVSTJZSA-N 1 2 399.516 2.491 50 0 GEAALO C[N@H+]1CCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)[C@H](c2ccccc2)C1 ZINC000035269423 570278931 /nfs/dbraw/zinc/27/89/31/570278931.db2.gz QOCCHSBNCYNNPE-FQEVSTJZSA-N 1 2 399.516 2.491 50 0 GEAALO COc1ccc(C[NH+]2CCN(Cc3nc(C(=O)NCC4CC4)co3)CC2)cc1 ZINC000034678226 570294360 /nfs/dbraw/zinc/29/43/60/570294360.db2.gz ZIUFTGRXMJZIIO-UHFFFAOYSA-N 1 2 384.480 2.141 50 0 GEAALO COc1cccc(OCC[NH+]2CCN(C(=O)c3nc4ccccn4c3F)CC2)c1 ZINC000216055090 570295356 /nfs/dbraw/zinc/29/53/56/570295356.db2.gz UYNCHMWBUQCYKX-UHFFFAOYSA-N 1 2 398.438 2.319 50 0 GEAALO CC1=C[C@@H]([NH+]2CCN(c3ccccc3)CC2)[C@H](C2C(=O)OC(C)(C)OC2=O)C1=O ZINC000000715806 570302825 /nfs/dbraw/zinc/30/28/25/570302825.db2.gz RAJNCSVIONOROJ-IAGOWNOFSA-N 1 2 398.459 2.402 50 0 GEAALO CCOC(=O)[C@H]1CCC[N@H+](Cc2nc(COc3ccc(OC)cc3)no2)C1 ZINC000022189449 570306814 /nfs/dbraw/zinc/30/68/14/570306814.db2.gz CBSPEECWFWHCOX-AWEZNQCLSA-N 1 2 375.425 2.432 50 0 GEAALO CCOC(=O)[C@H]1CCC[N@@H+](Cc2nc(COc3ccc(OC)cc3)no2)C1 ZINC000022189449 570306816 /nfs/dbraw/zinc/30/68/16/570306816.db2.gz CBSPEECWFWHCOX-AWEZNQCLSA-N 1 2 375.425 2.432 50 0 GEAALO CN(Cc1ccccc1)C(=O)C[NH+]1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000022782675 570327497 /nfs/dbraw/zinc/32/74/97/570327497.db2.gz VOHOSKLGEXLRBW-UHFFFAOYSA-N 1 2 398.482 2.040 50 0 GEAALO Cc1cc(C)c(NC(=O)CN2CC[NH+](CC(=O)N3CCCCC3)CC2)c(C)c1 ZINC000022911892 570333628 /nfs/dbraw/zinc/33/36/28/570333628.db2.gz BTKVEYDQISHJBB-UHFFFAOYSA-N 1 2 386.540 2.180 50 0 GEAALO COCC[NH+]1CCN(C(=O)c2nc(-c3ccoc3)n(-c3ccc(C)cc3)n2)CC1 ZINC000034911326 570340861 /nfs/dbraw/zinc/34/08/61/570340861.db2.gz LGKGBYLVEMXVMN-UHFFFAOYSA-N 1 2 395.463 2.240 50 0 GEAALO Cc1ccc(Cl)cc1Nc1nc(N2CCOCC2)[nH+]c(N2CCOCC2)n1 ZINC000004853731 570348312 /nfs/dbraw/zinc/34/83/12/570348312.db2.gz OSXFFKFRESQXED-UHFFFAOYSA-N 1 2 390.875 2.250 50 0 GEAALO CCOC(=O)[C@@H]1CCC[N@@H+]([C@@H]2CC(=O)N(c3ccc(OC)c(Cl)c3)C2=O)C1 ZINC000033432692 570349136 /nfs/dbraw/zinc/34/91/36/570349136.db2.gz GVAWXBBDVUTYJD-IUODEOHRSA-N 1 2 394.855 2.256 50 0 GEAALO CCOC(=O)[C@@H]1CCC[N@H+]([C@@H]2CC(=O)N(c3ccc(OC)c(Cl)c3)C2=O)C1 ZINC000033432692 570349137 /nfs/dbraw/zinc/34/91/37/570349137.db2.gz GVAWXBBDVUTYJD-IUODEOHRSA-N 1 2 394.855 2.256 50 0 GEAALO COC(=O)C[C@@H](c1ccc(C)o1)c1c(O)cc(C)n(CCc2c[nH+]c[nH]2)c1=O ZINC000604404813 570361240 /nfs/dbraw/zinc/36/12/40/570361240.db2.gz SJCUDOIHVHONTE-HNNXBMFYSA-N 1 2 385.420 2.425 50 0 GEAALO COC(=O)C[C@@H](c1ccc(C)o1)c1c(O)cc(C)n(CCc2c[nH]c[nH+]2)c1=O ZINC000604404813 570361243 /nfs/dbraw/zinc/36/12/43/570361243.db2.gz SJCUDOIHVHONTE-HNNXBMFYSA-N 1 2 385.420 2.425 50 0 GEAALO CCC[NH+]1CCN(S(=O)(=O)c2cc(-c3noc(CC)n3)sc2C)CC1 ZINC000035479745 570367737 /nfs/dbraw/zinc/36/77/37/570367737.db2.gz CDMUYKNCHJXLFC-UHFFFAOYSA-N 1 2 384.527 2.385 50 0 GEAALO CC(C)(C)OC(=O)N1CCC(CC(=O)NCCOCCn2cc[nH+]c2)CC1 ZINC000575620400 570369335 /nfs/dbraw/zinc/36/93/35/570369335.db2.gz SHUAUEKTHUHFMA-UHFFFAOYSA-N 1 2 380.489 2.053 50 0 GEAALO NC(=O)Cn1c(C[N@@H+]2CCc3sccc3[C@@H]2C2CC2)nc2ccccc2c1=O ZINC000023819915 570373348 /nfs/dbraw/zinc/37/33/48/570373348.db2.gz LGAGOLBYIOXWPU-FQEVSTJZSA-N 1 2 394.500 2.453 50 0 GEAALO NC(=O)Cn1c(C[N@H+]2CCc3sccc3[C@@H]2C2CC2)nc2ccccc2c1=O ZINC000023819915 570373350 /nfs/dbraw/zinc/37/33/50/570373350.db2.gz LGAGOLBYIOXWPU-FQEVSTJZSA-N 1 2 394.500 2.453 50 0 GEAALO CCOC(=O)C1=C(C[N@H+](C)CCOc2ccccc2F)NC(=O)N[C@@H]1CC ZINC000024338255 570382522 /nfs/dbraw/zinc/38/25/22/570382522.db2.gz XRMACJQJGMTKPK-CQSZACIVSA-N 1 2 379.432 2.045 50 0 GEAALO CCOC(=O)C1=C(C[N@@H+](C)CCOc2ccccc2F)NC(=O)N[C@@H]1CC ZINC000024338255 570382526 /nfs/dbraw/zinc/38/25/26/570382526.db2.gz XRMACJQJGMTKPK-CQSZACIVSA-N 1 2 379.432 2.045 50 0 GEAALO Cc1cn2cc(C(=O)N[C@@H]3COCC[C@H]3OCc3c(C)noc3C)ccc2[nH+]1 ZINC000222291981 570408200 /nfs/dbraw/zinc/40/82/00/570408200.db2.gz FMXCNZCJRVMWLH-QZTJIDSGSA-N 1 2 384.436 2.352 50 0 GEAALO COc1cc(NC(=O)c2ccc(-n3cc[nH+]c3)nc2)c(C(=O)N(C)C)cc1OC ZINC000025221950 570408663 /nfs/dbraw/zinc/40/86/63/570408663.db2.gz JVWGOXDPPWXIBK-UHFFFAOYSA-N 1 2 395.419 2.239 50 0 GEAALO CCOC(=O)C1=C(C[N@H+](C)Cc2ccccc2OC(F)(F)F)NC(=O)NC1 ZINC000025247676 570409332 /nfs/dbraw/zinc/40/93/32/570409332.db2.gz LVZVIWMOMLQSMX-UHFFFAOYSA-N 1 2 387.358 2.147 50 0 GEAALO CCOC(=O)C1=C(C[N@@H+](C)Cc2ccccc2OC(F)(F)F)NC(=O)NC1 ZINC000025247676 570409335 /nfs/dbraw/zinc/40/93/35/570409335.db2.gz LVZVIWMOMLQSMX-UHFFFAOYSA-N 1 2 387.358 2.147 50 0 GEAALO CC(=O)Nc1ccccc1OCC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000025456299 570414360 /nfs/dbraw/zinc/41/43/60/570414360.db2.gz BPGVEKOCNZHALG-UHFFFAOYSA-N 1 2 383.448 2.495 50 0 GEAALO CNC(=O)c1ccc(C[N@H+](CC(=O)NCC(F)(F)F)Cc2ccco2)cc1 ZINC000026925338 570429879 /nfs/dbraw/zinc/42/98/79/570429879.db2.gz UNHPGURVVOPCBQ-UHFFFAOYSA-N 1 2 383.370 2.320 50 0 GEAALO CNC(=O)c1ccc(C[N@@H+](CC(=O)NCC(F)(F)F)Cc2ccco2)cc1 ZINC000026925338 570429882 /nfs/dbraw/zinc/42/98/82/570429882.db2.gz UNHPGURVVOPCBQ-UHFFFAOYSA-N 1 2 383.370 2.320 50 0 GEAALO Cc1cccc2c(=O)n(CCC(=O)Nc3nc4c(s3)C[N@H+](C)CC4)cnc12 ZINC000027988981 570447948 /nfs/dbraw/zinc/44/79/48/570447948.db2.gz UEPMSXHRXYIHOS-UHFFFAOYSA-N 1 2 383.477 2.178 50 0 GEAALO Cc1cccc2c(=O)n(CCC(=O)Nc3nc4c(s3)C[N@@H+](C)CC4)cnc12 ZINC000027988981 570447950 /nfs/dbraw/zinc/44/79/50/570447950.db2.gz UEPMSXHRXYIHOS-UHFFFAOYSA-N 1 2 383.477 2.178 50 0 GEAALO C[C@@H](C(=O)NCc1cccc(S(N)(=O)=O)c1)n1cc[nH+]c1-c1ccccc1 ZINC000089478862 570455666 /nfs/dbraw/zinc/45/56/66/570455666.db2.gz VNFGVWGCVBXYIR-AWEZNQCLSA-N 1 2 384.461 2.075 50 0 GEAALO COC(=O)c1ccc(S(=O)(=O)NC[C@@H](c2ccco2)[NH+](C)C)cc1Cl ZINC000130616998 570464617 /nfs/dbraw/zinc/46/46/17/570464617.db2.gz ISNDHVWHBMFSSI-AWEZNQCLSA-N 1 2 386.857 2.301 50 0 GEAALO CCOc1cc(S(=O)(=O)NCCCn2cc[nH+]c2)ccc1Br ZINC000007425015 570504978 /nfs/dbraw/zinc/50/49/78/570504978.db2.gz SSCZLHLOONAPQM-UHFFFAOYSA-N 1 2 388.287 2.413 50 0 GEAALO CC[C@H](C)[C@@H]1[NH2+]C2(CCN(S(=O)(=O)c3ccc(F)cc3)CC2)N(CC)C1=O ZINC000036029115 570513922 /nfs/dbraw/zinc/51/39/22/570513922.db2.gz UCGGZSIHAXXCJC-YOEHRIQHSA-N 1 2 397.516 2.173 50 0 GEAALO Cc1c(Cl)cccc1Nc1nc(N2CCOCC2)[nH+]c(N2CCOCC2)n1 ZINC000005255823 570530741 /nfs/dbraw/zinc/53/07/41/570530741.db2.gz XUZZAMNSYABUMW-UHFFFAOYSA-N 1 2 390.875 2.250 50 0 GEAALO Cc1cc(C(=O)NCC[NH+]2CCOCC2)c2cc(Br)ccc2n1 ZINC000032961477 570533348 /nfs/dbraw/zinc/53/33/48/570533348.db2.gz VKDIKJNBXVSFCP-UHFFFAOYSA-N 1 2 378.270 2.368 50 0 GEAALO COc1cccc([C@H](NC(=O)[C@H]2COc3ccccc3O2)c2[nH+]ccn2C)c1 ZINC000008746431 570540529 /nfs/dbraw/zinc/54/05/29/570540529.db2.gz DFTKPMDLOQOESN-MOPGFXCFSA-N 1 2 379.416 2.474 50 0 GEAALO O=C(CN1CC[NH+](Cc2ccsc2)CC1)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC000022786061 570546987 /nfs/dbraw/zinc/54/69/87/570546987.db2.gz RIPGXRUICDFGLH-UHFFFAOYSA-N 1 2 386.521 2.313 50 0 GEAALO COc1cccc(NC(=O)N2CCN(c3cc(N4CCCC4)[nH+]cn3)CC2)c1 ZINC000038528321 570579940 /nfs/dbraw/zinc/57/99/40/570579940.db2.gz YSSWSGWJRFAFHT-UHFFFAOYSA-N 1 2 382.468 2.440 50 0 GEAALO COc1cccc(NC(=O)N2CCN(c3cc(N4CCCC4)nc[nH+]3)CC2)c1 ZINC000038528321 570579944 /nfs/dbraw/zinc/57/99/44/570579944.db2.gz YSSWSGWJRFAFHT-UHFFFAOYSA-N 1 2 382.468 2.440 50 0 GEAALO Cc1cccc(N2CN(CC[NH+]3CCOCC3)Cn3c(=O)c(C)c(C)nc32)c1C ZINC000038830150 570584624 /nfs/dbraw/zinc/58/46/24/570584624.db2.gz ATWPHZAWFFILQE-UHFFFAOYSA-N 1 2 397.523 2.178 50 0 GEAALO CC[C@@H](C)C(=O)N1CC[NH+]([C@@H](C(=O)N2CCSCC2)C2CCCC2)CC1 ZINC000036251210 570587608 /nfs/dbraw/zinc/58/76/08/570587608.db2.gz UFLRNQBNAHQBQB-SJLPKXTDSA-N 1 2 381.586 2.311 50 0 GEAALO CNC(=O)c1ccc(OC)c(NC(=O)N2CC[NH+](Cc3cccs3)CC2)c1 ZINC000057703509 570703340 /nfs/dbraw/zinc/70/33/40/570703340.db2.gz GALQLCOHEZJXPQ-UHFFFAOYSA-N 1 2 388.493 2.466 50 0 GEAALO CCCn1c(N)c(C(=O)C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)c(=O)[nH]c1=O ZINC000058166903 570713963 /nfs/dbraw/zinc/71/39/63/570713963.db2.gz NORIIMQCKFOPFZ-UHFFFAOYSA-N 1 2 399.278 2.150 50 0 GEAALO CCCn1c(N)c(C(=O)C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)c(=O)[nH]c1=O ZINC000058166903 570713966 /nfs/dbraw/zinc/71/39/66/570713966.db2.gz NORIIMQCKFOPFZ-UHFFFAOYSA-N 1 2 399.278 2.150 50 0 GEAALO CCOc1cccc(C(=O)N[C@H]2C[C@H](c3nnc(Cn4cc[nH+]c4)n3C)C2)c1 ZINC000252528064 570729217 /nfs/dbraw/zinc/72/92/17/570729217.db2.gz DZKVLGYXHFFQGR-WKILWMFISA-N 1 2 380.452 2.135 50 0 GEAALO O=C(CCn1cnc2ccccc2c1=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000036686537 570789800 /nfs/dbraw/zinc/78/98/00/570789800.db2.gz AZDGNFVTTDSOJO-UHFFFAOYSA-N 1 2 382.489 2.193 50 0 GEAALO COc1ccc(S(=O)(=O)NCCC[N@@H+]2CCO[C@H](c3ccccc3)C2)cc1 ZINC000036700254 570795187 /nfs/dbraw/zinc/79/51/87/570795187.db2.gz QVKLBNDSAGYIJX-FQEVSTJZSA-N 1 2 390.505 2.437 50 0 GEAALO COc1ccc(S(=O)(=O)NCCC[N@H+]2CCO[C@H](c3ccccc3)C2)cc1 ZINC000036700254 570795192 /nfs/dbraw/zinc/79/51/92/570795192.db2.gz QVKLBNDSAGYIJX-FQEVSTJZSA-N 1 2 390.505 2.437 50 0 GEAALO CCc1nn2c(nc(C[NH+]3CCN(c4cccc(OC)c4)CC3)cc2=O)s1 ZINC000032753177 570796025 /nfs/dbraw/zinc/79/60/25/570796025.db2.gz IKTXUTFQYPAFIO-UHFFFAOYSA-N 1 2 385.493 2.044 50 0 GEAALO Cc1nnc(SCC(=O)N2CCN(c3cccc[nH+]3)CC2)n1-c1ccccc1 ZINC000007229770 570817544 /nfs/dbraw/zinc/81/75/44/570817544.db2.gz DFOWSJSXAZYKSV-UHFFFAOYSA-N 1 2 394.504 2.412 50 0 GEAALO O=C(NC[C@H]1COc2ccccc2O1)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000032802210 570820709 /nfs/dbraw/zinc/82/07/09/570820709.db2.gz KSWDVYLSTCYIBO-RBUKOAKNSA-N 1 2 397.475 2.199 50 0 GEAALO CC1CCC2(CC1)NC(=O)N(NC(=O)C[N@@H+]1CCC[C@@H]1c1cccs1)C2=O ZINC000007362680 570833929 /nfs/dbraw/zinc/83/39/29/570833929.db2.gz ZSNCFHNYTMTRIQ-SHYRYGCCSA-N 1 2 390.509 2.417 50 0 GEAALO CC1CCC2(CC1)NC(=O)N(NC(=O)C[N@H+]1CCC[C@@H]1c1cccs1)C2=O ZINC000007362680 570833931 /nfs/dbraw/zinc/83/39/31/570833931.db2.gz ZSNCFHNYTMTRIQ-SHYRYGCCSA-N 1 2 390.509 2.417 50 0 GEAALO CC[C@H]1c2ccsc2CC[N@H+]1CC(=O)N1C[C@H](C(N)=O)Oc2ccccc21 ZINC000037207222 570847604 /nfs/dbraw/zinc/84/76/04/570847604.db2.gz JJZZVMOFGRIBRW-WMLDXEAASA-N 1 2 385.489 2.337 50 0 GEAALO CC[C@H]1c2ccsc2CC[N@@H+]1CC(=O)N1C[C@H](C(N)=O)Oc2ccccc21 ZINC000037207222 570847608 /nfs/dbraw/zinc/84/76/08/570847608.db2.gz JJZZVMOFGRIBRW-WMLDXEAASA-N 1 2 385.489 2.337 50 0 GEAALO CC[C@H](C(=O)NCc1ccccc1)N1CCC[N@H+](CC(=O)NC(C)(C)C)CC1 ZINC000032851040 570853962 /nfs/dbraw/zinc/85/39/62/570853962.db2.gz BGLNMMISDWFVSZ-LJQANCHMSA-N 1 2 388.556 2.004 50 0 GEAALO CC[C@H](C(=O)NCc1ccccc1)N1CCC[N@@H+](CC(=O)NC(C)(C)C)CC1 ZINC000032851040 570853964 /nfs/dbraw/zinc/85/39/64/570853964.db2.gz BGLNMMISDWFVSZ-LJQANCHMSA-N 1 2 388.556 2.004 50 0 GEAALO Cc1ccccc1-n1nccc1NC(=O)C(=O)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000170617142 570875946 /nfs/dbraw/zinc/87/59/46/570875946.db2.gz VLEKTUAKBGMGPN-UHFFFAOYSA-N 1 2 387.403 2.339 50 0 GEAALO CCc1[nH+]c2cc(N)cc(C(=O)NCc3[nH]nc4c3CCC4)c2n1CCCOC ZINC000299764197 570892879 /nfs/dbraw/zinc/89/28/79/570892879.db2.gz QLSIVFIBAYVGEM-UHFFFAOYSA-N 1 2 396.495 2.359 50 0 GEAALO CCc1[nH+]c2cc(N)cc(C(=O)NCc3n[nH]c4c3CCC4)c2n1CCCOC ZINC000299764197 570892880 /nfs/dbraw/zinc/89/28/80/570892880.db2.gz QLSIVFIBAYVGEM-UHFFFAOYSA-N 1 2 396.495 2.359 50 0 GEAALO CCc1cc2c(C[NH+]3CCN(C(=O)N4CCCC4)CC3)cc(=O)oc2cc1O ZINC000032899595 570895157 /nfs/dbraw/zinc/89/51/57/570895157.db2.gz IMEBUAOFXDJAHW-UHFFFAOYSA-N 1 2 385.464 2.394 50 0 GEAALO CC(=O)Nc1ccc(CN2CC[N@H+](Cc3cccc(C)n3)[C@H](CCO)C2)cc1 ZINC000104326012 570899350 /nfs/dbraw/zinc/89/93/50/570899350.db2.gz DFJYAGDOPQBVNS-JOCHJYFZSA-N 1 2 382.508 2.417 50 0 GEAALO CC(=O)Nc1ccc(CN2CC[N@@H+](Cc3cccc(C)n3)[C@H](CCO)C2)cc1 ZINC000104326012 570899353 /nfs/dbraw/zinc/89/93/53/570899353.db2.gz DFJYAGDOPQBVNS-JOCHJYFZSA-N 1 2 382.508 2.417 50 0 GEAALO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CN1C(=O)NC2(CCC(C(C)(C)C)CC2)C1=O ZINC000096993515 570911429 /nfs/dbraw/zinc/91/14/29/570911429.db2.gz HTLVNIZBEZSZNG-CHWWFWEZSA-N 1 2 378.517 2.023 50 0 GEAALO CN(C)C(=O)[C@@H]1CCC[N@H+]1CN1C(=O)NC2(CCC(C(C)(C)C)CC2)C1=O ZINC000096993515 570911433 /nfs/dbraw/zinc/91/14/33/570911433.db2.gz HTLVNIZBEZSZNG-CHWWFWEZSA-N 1 2 378.517 2.023 50 0 GEAALO Cn1ccc(C(=O)N(CCC[NH+]2CCOCC2)c2nc3ccccc3s2)n1 ZINC000023128152 570913511 /nfs/dbraw/zinc/91/35/11/570913511.db2.gz VDEHJNXZPZQNPF-UHFFFAOYSA-N 1 2 385.493 2.399 50 0 GEAALO Cc1cccnc1C[NH+]1CCN(C(=O)N[C@H](CC(C)C)c2ncnn2C)CC1 ZINC000534666248 570919427 /nfs/dbraw/zinc/91/94/27/570919427.db2.gz SODMMXSTIYUNDU-QGZVFWFLSA-N 1 2 385.516 2.133 50 0 GEAALO CCCN(C(=O)CN1CCC[N@H+](CC(=O)NC(C)C)CC1)C1=CCCCC1 ZINC000032928766 570941844 /nfs/dbraw/zinc/94/18/44/570941844.db2.gz ONAAFRAESPNGOZ-UHFFFAOYSA-N 1 2 378.561 2.215 50 0 GEAALO CCCN(C(=O)CN1CCC[N@@H+](CC(=O)NC(C)C)CC1)C1=CCCCC1 ZINC000032928766 570941847 /nfs/dbraw/zinc/94/18/47/570941847.db2.gz ONAAFRAESPNGOZ-UHFFFAOYSA-N 1 2 378.561 2.215 50 0 GEAALO COC(=O)c1c(F)cccc1S(=O)(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000107155457 570971885 /nfs/dbraw/zinc/97/18/85/570971885.db2.gz DBSKLRNPSVCJRN-MRXNPFEDSA-N 1 2 392.452 2.290 50 0 GEAALO COC(=O)c1c(F)cccc1S(=O)(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000107155457 570971887 /nfs/dbraw/zinc/97/18/87/570971887.db2.gz DBSKLRNPSVCJRN-MRXNPFEDSA-N 1 2 392.452 2.290 50 0 GEAALO Cc1cccc(OCCNC(=O)Cn2c3ccccc3[nH+]c2NC[C@@H](C)O)c1 ZINC000019296431 570973726 /nfs/dbraw/zinc/97/37/26/570973726.db2.gz NQNZIUOVGDXBFD-MRXNPFEDSA-N 1 2 382.464 2.333 50 0 GEAALO CN1c2ccccc2[C@@]2(NC(=N)NC(Nc3cccc(C(F)(F)F)c3)=[NH+]2)C1=O ZINC000019325380 570974705 /nfs/dbraw/zinc/97/47/05/570974705.db2.gz WHBCOSAUIBTTQK-KRWDZBQOSA-N 1 2 388.353 2.221 50 0 GEAALO NC(=O)C1CCN(c2[nH+]cccc2CNc2ncnc3c(F)cccc23)CC1 ZINC000252500698 570977050 /nfs/dbraw/zinc/97/70/50/570977050.db2.gz TUFYCSMYFYCTKS-UHFFFAOYSA-N 1 2 380.427 2.478 50 0 GEAALO O=C(COc1coc(C[NH+]2CCSCC2)cc1=O)Nc1ccccc1F ZINC000044917655 570983241 /nfs/dbraw/zinc/98/32/41/570983241.db2.gz WIFRFWCFJSOFFE-UHFFFAOYSA-N 1 2 378.425 2.345 50 0 GEAALO COc1ccc(C(=O)N2CC[NH+](Cc3cc(OC)c(O)c(OC)c3)CC2)cc1 ZINC000019553125 571001961 /nfs/dbraw/zinc/00/19/61/571001961.db2.gz FKWKEZRGUUJBGB-UHFFFAOYSA-N 1 2 386.448 2.376 50 0 GEAALO CCS[C@H](C)C(=O)N1CCC2(CCC(=O)N(CCc3c[nH+]c[nH]3)C2)CC1 ZINC000091306212 571002779 /nfs/dbraw/zinc/00/27/79/571002779.db2.gz OPYDRSXHOREXJL-OAHLLOKOSA-N 1 2 378.542 2.325 50 0 GEAALO CCS[C@H](C)C(=O)N1CCC2(CCC(=O)N(CCc3c[nH]c[nH+]3)C2)CC1 ZINC000091306212 571002784 /nfs/dbraw/zinc/00/27/84/571002784.db2.gz OPYDRSXHOREXJL-OAHLLOKOSA-N 1 2 378.542 2.325 50 0 GEAALO Cc1ccc(NC(=O)C[NH+]2Cc3ccccc3C2)cc1N1CCCS1(=O)=O ZINC000084185504 571007866 /nfs/dbraw/zinc/00/78/66/571007866.db2.gz WVPCBQWRIZRCIC-UHFFFAOYSA-N 1 2 385.489 2.489 50 0 GEAALO CCC[C@@H]1C[N@H+](Cc2nccn2Cc2ccccc2)C[C@H]1NS(C)(=O)=O ZINC000091493100 571010973 /nfs/dbraw/zinc/01/09/73/571010973.db2.gz ONTWCPXOEURUOJ-QZTJIDSGSA-N 1 2 376.526 2.081 50 0 GEAALO CCC[C@@H]1C[N@@H+](Cc2nccn2Cc2ccccc2)C[C@H]1NS(C)(=O)=O ZINC000091493100 571010976 /nfs/dbraw/zinc/01/09/76/571010976.db2.gz ONTWCPXOEURUOJ-QZTJIDSGSA-N 1 2 376.526 2.081 50 0 GEAALO COc1cc(CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc2c1OCO2 ZINC000019606976 571021176 /nfs/dbraw/zinc/02/11/76/571021176.db2.gz UVKDCRRAPNJBSV-UHFFFAOYSA-N 1 2 384.432 2.470 50 0 GEAALO COc1cc(C[NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)cc2c1OCO2 ZINC000019606976 571021180 /nfs/dbraw/zinc/02/11/80/571021180.db2.gz UVKDCRRAPNJBSV-UHFFFAOYSA-N 1 2 384.432 2.470 50 0 GEAALO Cn1cccc1C(=O)N1CCC2(CC1)c1[nH+]c[nH]c1CCN2C(=O)C1CCC1 ZINC000091644697 571021359 /nfs/dbraw/zinc/02/13/59/571021359.db2.gz ZWFZLIGGLWCJQG-UHFFFAOYSA-N 1 2 381.480 2.065 50 0 GEAALO O=C(NCc1cc2n(n1)CC[N@@H+](C1CCCCC1)C2)c1ccc2[nH]nnc2c1 ZINC000091665793 571025391 /nfs/dbraw/zinc/02/53/91/571025391.db2.gz AOELJISHGHRCSE-UHFFFAOYSA-N 1 2 379.468 2.233 50 0 GEAALO O=C(NCc1cc2n(n1)CC[N@H+](C1CCCCC1)C2)c1ccc2[nH]nnc2c1 ZINC000091665793 571025395 /nfs/dbraw/zinc/02/53/95/571025395.db2.gz AOELJISHGHRCSE-UHFFFAOYSA-N 1 2 379.468 2.233 50 0 GEAALO Cc1ccncc1C(=O)N1CCC2(CCC(=O)N(CCc3c[nH+]c[nH]3)C2)CC1 ZINC000091676921 571025627 /nfs/dbraw/zinc/02/56/27/571025627.db2.gz ILFBVNQWCBBSNE-UHFFFAOYSA-N 1 2 381.480 2.201 50 0 GEAALO Cc1ccncc1C(=O)N1CCC2(CCC(=O)N(CCc3c[nH]c[nH+]3)C2)CC1 ZINC000091676921 571025629 /nfs/dbraw/zinc/02/56/29/571025629.db2.gz ILFBVNQWCBBSNE-UHFFFAOYSA-N 1 2 381.480 2.201 50 0 GEAALO O=C(Cn1cc[nH+]c1)N1CCC[C@@]2(CCC(=O)N(CCc3ccccc3)C2)C1 ZINC000091906972 571035656 /nfs/dbraw/zinc/03/56/56/571035656.db2.gz DIVIGRHKAZESIC-JOCHJYFZSA-N 1 2 380.492 2.357 50 0 GEAALO O=C(c1ccc(O)cc1)N1CCC[C@@]2(CCC(=O)N(CCc3c[nH+]c[nH]3)C2)C1 ZINC000092019752 571040968 /nfs/dbraw/zinc/04/09/68/571040968.db2.gz PLGQSYGYWZLQEX-NRFANRHFSA-N 1 2 382.464 2.203 50 0 GEAALO O=C(c1ccc(O)cc1)N1CCC[C@@]2(CCC(=O)N(CCc3c[nH]c[nH+]3)C2)C1 ZINC000092019752 571040973 /nfs/dbraw/zinc/04/09/73/571040973.db2.gz PLGQSYGYWZLQEX-NRFANRHFSA-N 1 2 382.464 2.203 50 0 GEAALO CS(=O)(=O)N1C[C@@H]2CC[C@H](C1)[N@H+](Cc1cnc(C3CCCCC3)nc1)C2 ZINC000095361233 571055678 /nfs/dbraw/zinc/05/56/78/571055678.db2.gz OWFFUCLPCXCPLH-CRAIPNDOSA-N 1 2 378.542 2.380 50 0 GEAALO CS(=O)(=O)N1C[C@@H]2CC[C@H](C1)[N@@H+](Cc1cnc(C3CCCCC3)nc1)C2 ZINC000095361233 571055679 /nfs/dbraw/zinc/05/56/79/571055679.db2.gz OWFFUCLPCXCPLH-CRAIPNDOSA-N 1 2 378.542 2.380 50 0 GEAALO CCN(CC)C(=O)c1cccc(S(=O)(=O)N(C)Cc2[nH+]ccn2CC)c1 ZINC000095369662 571060464 /nfs/dbraw/zinc/06/04/64/571060464.db2.gz RUZZYDJLGVGHTB-UHFFFAOYSA-N 1 2 378.498 2.206 50 0 GEAALO Cn1c(Cn2cc[nH+]c2)nnc1[C@H]1CCCN(C(=O)Cc2ccccc2F)C1 ZINC000095375884 571064148 /nfs/dbraw/zinc/06/41/48/571064148.db2.gz PBBKYIINYZAJDL-INIZCTEOSA-N 1 2 382.443 2.148 50 0 GEAALO O=c1cc(C[N@@H+]2C[C@H]3CC[C@@H]2CN(Cc2cscn2)C3)nc2ccccn12 ZINC000095382904 571068756 /nfs/dbraw/zinc/06/87/56/571068756.db2.gz UFHQRGDVUXAVFN-MAUKXSAKSA-N 1 2 381.505 2.247 50 0 GEAALO O=c1cc(C[N@H+]2C[C@H]3CC[C@@H]2CN(Cc2cscn2)C3)nc2ccccn12 ZINC000095382904 571068758 /nfs/dbraw/zinc/06/87/58/571068758.db2.gz UFHQRGDVUXAVFN-MAUKXSAKSA-N 1 2 381.505 2.247 50 0 GEAALO Cc1noc([C@H]2CC3(C[N@H+]2C)CCN(S(=O)(=O)c2cccs2)CC3)n1 ZINC000169787206 644282857 /nfs/dbraw/zinc/28/28/57/644282857.db2.gz QJZMPVRCNFYECU-CYBMUJFWSA-N 1 2 382.511 2.287 50 0 GEAALO Cc1noc([C@H]2CC3(C[N@@H+]2C)CCN(S(=O)(=O)c2cccs2)CC3)n1 ZINC000169787206 644282859 /nfs/dbraw/zinc/28/28/59/644282859.db2.gz QJZMPVRCNFYECU-CYBMUJFWSA-N 1 2 382.511 2.287 50 0 GEAALO O[C@H](C[NH+]1CCN(Cc2nc(-c3cccs3)no2)CC1)CC(F)(F)F ZINC000188717547 645123740 /nfs/dbraw/zinc/12/37/40/645123740.db2.gz JGHGKHXPIKNGNP-NSHDSACASA-N 1 2 376.404 2.229 50 0 GEAALO